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Dystrophin Dp71ab

Anchors the extracellular matrix to the cytoskeleton via F-actin. Ligand for dystroglycan. Component of the dystrophin-associated glycoprotein complex which accumulates at the neuromuscular junction (NMJ) and at a variety of synapses in the peripheral and central nervous systems and has a structural function in stabilizing the sarcolemma. Also implicated in signaling events and synaptic transmission.

AlphaFold DB , UniProt , Accession A0A023ZTV5, Species MOUSE (Mus musculus, Mouse), Gene Dmd, Length 622 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.9	Very low	54.1	Low	218 Å²	218	135.2 Å²	135.2	100%	1.074	65%	0.653	S	S	*	*				0	105.1	0	-171.2	-178.1	-70	0	0	106.4
2	R	43.5	Very low	55.6	Low	113 Å²	113	131.1 Å²	131.1	43%	0.426	64%	0.643	S	S	.	*	P	Polyproline II helix	trans	-79.9	133.4	176.5	-167	171.1	-172.4	165.1	-0.6	107.7	D108	R2-D108 IonicContact CZ-OD1 3.69Å; R2-D108 VanDerWaalsContact CZ-OD1 3.24Å; R2-D108 IonicContact CZ-OD2 3.08Å; R2-D108 IonicContact NH1-OD1 2.72Å; R2-D108 PolarHBondContact NH1-OD1 3.27Å; R2-D108 IonicContact NH1-OD2 2.74Å; R2-D108 IonicContact NH2-OD1 2.86Å; R2-D108 PolarHBondContact NH2-OD1 2.89Å; R2-D108 IonicContact NH2-OD2 3.06Å; R2-D108 PolarHBondContact NH2-OD2 3.34Å
3	E	44.7	Very low	57	Low	178 Å²	178	127.3 Å²	127.3	83%	0.832	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-66	144.2	-177	-61.9	-172.8	120.1	0	0	111	L5	E3-L5 PolarHBondContact O-N 3.48Å
4	H	55.7	Low	58.6	Low	89 Å²	89	121.9 Å²	121.9	41%	0.412	61%	0.612	S	S	.	*	P	Polyproline II helix	trans	-54.1	135	176.4	-54.7	89	0	0	0	111	K6 T13 W15	H4-K6 PolarHBondContact O-N 3.25Å; H4-K6 VanDerWaalsContact O-N 3.07Å; H4-T13 HydrophobicContact CB-CG2 3.76Å; H4-W15 AromaticContact NE2-CH2 3.66Å; H4-W15 AromaticContact NE2-CZ2 3.54Å
5	L	56.9	Low	60.1	Low	75 Å²	75	122 Å²	122	39%	0.393	60%	0.602	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-68.2	109.6	168.4	-82.7	140.3	0	0	0	108.4	E3 C14 H17	E3-L5 PolarHBondContact O-N 3.48Å; L5-C14 PolarHBondContact N-O 3.21Å; L5-C14 PolarHBondContact O-N 2.98Å; L5-H17 HydrophobicContact CD1-CB 4.45Å
6	K	51.2	Low	61.7	Low	147 Å²	147	116.6 Å²	116.6	64%	0.639	58%	0.576	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-84.6	111.3	175.8	-72.3	177.8	179.5	175.3	0	109.5	H4 H8 T13	H4-K6 PolarHBondContact O-N 3.25Å; H4-K6 VanDerWaalsContact O-N 3.07Å; K6-H8 PolarHBondContact O-N 3.09Å; K6-H8 VanDerWaalsContact O-N 3.09Å; K6-T13 HydrophobicContact CG-CG2 3.94Å
7	G	55.7	Low	63.3	Low	29 Å²	29	111.7 Å²	111.7	30%	0.299	55%	0.552	S	S	.	*			trans	-68.4	100.8	161.3	0	0	0	0	0	108.6	E9 T10 Q11 T12	G7-E9 PolarHBondContact O-N 3.23Å; G7-T10 PolarHBondContact O-N 2.6Å; G7-T10 PolarHBondContact O-OG1 3.17Å; G7-Q11 VanDerWaalsContact O-CA 3.26Å; G7-Q11 WeakPolarHBondContact O-CA 3.36Å; G7-Q11 PolarHBondContact O-N 3.28Å; G7-T12 PolarHBondContact N-O 3.4Å
8	H	57.7	Low	64.9	Low	174 Å²	174	109.9 Å²	109.9	81%	0.806	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-27.4	-178.3	-85.5	-91.2	0	0	0	113.2	K6	K6-H8 PolarHBondContact O-N 3.09Å; K6-H8 VanDerWaalsContact O-N 3.09Å
9	E	59.4	Low	66.4	Low	193 Å²	193	109.5 Å²	109.5	90%	0.902	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-38.5	179.1	-171.9	169.4	-155.9	0	0	112.6	G7	G7-E9 PolarHBondContact O-N 3.23Å
10	T	66.9	Low	67.8	Low	92 Å²	92	104 Å²	104	56%	0.564	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-11.3	179.2	54.4	0	0	0	0	114	G7 T12	G7-T10 PolarHBondContact O-N 2.6Å; G7-T10 PolarHBondContact O-OG1 3.17Å; T10-T12 WeakPolarHBondContact CB-OG1 3.33Å; T10-T12 PolarHBondContact O-N 3.28Å; T10-T12 VanDerWaalsContact O-N 3.08Å; T10-T12 PolarHBondContact OG1-OG1 3.29Å
11	Q	66.8	Low	69	Low	179 Å²	179	101.3 Å²	101.3	84%	0.836	51%	0.506	S	S	*	.			trans	56.2	12.3	-169.4	-54.3	-172.1	7.7	0	0	115.2	G7	G7-Q11 VanDerWaalsContact O-CA 3.26Å; G7-Q11 WeakPolarHBondContact O-CA 3.36Å; G7-Q11 PolarHBondContact O-N 3.28Å
12	T	72.1	Confident	71.7	Confident	86 Å²	86	96.6 Å²	96.6	53%	0.528	48%	0.481	S	S	.	.			trans	-90.3	143	-179.2	51.6	0	0	0	0	112.6	G7 T10	G7-T12 PolarHBondContact N-O 3.4Å; T10-T12 WeakPolarHBondContact CB-OG1 3.33Å; T10-T12 PolarHBondContact O-N 3.28Å; T10-T12 VanDerWaalsContact O-N 3.08Å; T10-T12 PolarHBondContact OG1-OG1 3.29Å
13	T	73.4	Confident	74.2	Confident	82 Å²	82	92 Å²	92	50%	0.503	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	123.8	169.9	43.5	0	0	0	0	110.4	H4 K6	H4-T13 HydrophobicContact CB-CG2 3.76Å; K6-T13 HydrophobicContact CG-CG2 3.94Å
14	C	79.4	Confident	76.6	Confident	52 Å²	52	85.9 Å²	85.9	35%	0.351	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	152.3	174.9	-156.1	0	0	0	0	112.2	L5 D16	L5-C14 PolarHBondContact N-O 3.21Å; L5-C14 PolarHBondContact O-N 2.98Å; C14-D16 PolarHBondContact SG-N 3.29Å; C14-D16 VanDerWaalsContact SG-N 3.44Å
15	W	81.1	Confident	78.4	Confident	123 Å²	123	87.9 Å²	87.9	47%	0.466	44%	0.444	S	S	.	.	S	Bend	trans	-79.1	-36.1	165.3	-68.3	115.8	0	0	0	111.7	H4 R122	H4-W15 AromaticContact NE2-CH2 3.66Å; H4-W15 AromaticContact NE2-CZ2 3.54Å; W15-R122 HydrophobicContact CD2-CG 4.36Å
16	D	86.4	Confident	80.3	Confident	35 Å²	35	85.4 Å²	85.4	19%	0.187	43%	0.433	C	S	.	.	S	Bend	trans	-77.1	138.7	-177.2	-77	-78.7	0	0	0	112.5	C14 N112 N116	C14-D16 PolarHBondContact SG-N 3.29Å; C14-D16 VanDerWaalsContact SG-N 3.44Å; D16-N112 PolarHBondContact OD1-ND2 2.79Å; D16-N112 PolarHBondContact OD1-OD1 2.78Å; D16-N116 PolarHBondContact OD1-ND2 3.15Å
17	H	88.6	Confident	82.4	Confident	34 Å²	34	78.8 Å²	78.8	16%	0.157	41%	0.405	C	S	.	.			trans	-61.5	134.9	167.1	-176	-93.8	0	0	0	109.9	L5 K19 M20 T21 L105 N112	L5-H17 HydrophobicContact CD1-CB 4.45Å; H17-K19 VanDerWaalsContact C-N 3.29Å; H17-K19 PolarHBondContact ND1-N 3.44Å; H17-K19 PolarHBondContact O-N 2.84Å; H17-K19 VanDerWaalsContact O-N 3.12Å; H17-M20 HydrophobicContact CB-CB 4.36Å; H17-M20 HydrophobicContact CB-CG 4.18Å; H17-M20 WeakPolarHBondContact O-CA 3.48Å; H17-M20 VanDerWaalsContact O-CB 3.3Å; H17-M20 WeakPolarHBondContact O-CB 3.19Å; H17-M20 PolarHBondContact O-N 3.39Å; H17-T21 PolarHBondContact O-N 3.11Å; H17-T21 VanDerWaalsContact O-N 3.12Å; H17-L105 WeakPolarHBondContact CE1-CD1 3.29Å; H17-N112 PolarHBondContact N-ND2 2.93Å
18	P	91.3	Very high	84	Confident	79 Å²	79	80 Å²	80	51%	0.513	41%	0.411	S	S	.	.	H	α-helix	trans	-52.3	-41.5	-174.6	-31.1	36.3	0	0	0	114.6	M20 T21 E22	P18-M20 VanDerWaalsContact C-N 3.28Å; P18-M20 PolarHBondContact O-N 3.05Å; P18-T21 WeakPolarHBondContact O-CB 3.41Å; P18-T21 PolarHBondContact O-N 3.03Å; P18-T21 VanDerWaalsContact O-N 3.16Å; P18-E22 PolarHBondContact O-N 3.03Å
19	K	93.1	Very high	85.7	Confident	102 Å²	102	76.2 Å²	76.2	44%	0.443	40%	0.397	S	S	.	.	H	α-helix	trans	-68.5	-21	174.9	-69.7	-174.4	166.9	-175	0	114.5	H17 L23 L105 M109	H17-K19 VanDerWaalsContact C-N 3.29Å; H17-K19 PolarHBondContact ND1-N 3.44Å; H17-K19 PolarHBondContact O-N 2.84Å; H17-K19 VanDerWaalsContact O-N 3.12Å; K19-L23 WeakPolarHBondContact O-CB 3.29Å; K19-L23 PolarHBondContact O-N 3.27Å; K19-L105 HydrophobicContact CD-CD1 3.98Å; K19-L105 HydrophobicContact CD-CD2 3.86Å; K19-M109 HydrophobicContact CB-CE 4.05Å; K19-M109 HydrophobicContact CB-SD 3.79Å; K19-M109 HydrophobicContact CD-SD 4.45Å
20	M	94.3	Very high	87.3	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-76.2	-40	169.2	-72.6	-65	-60.3	0	0	110.7	H17 P18 L23 Y24 L47 L51 M109 N112 W113	H17-M20 HydrophobicContact CB-CB 4.36Å; H17-M20 HydrophobicContact CB-CG 4.18Å; H17-M20 WeakPolarHBondContact O-CA 3.48Å; H17-M20 VanDerWaalsContact O-CB 3.3Å; H17-M20 WeakPolarHBondContact O-CB 3.19Å; H17-M20 PolarHBondContact O-N 3.39Å; P18-M20 VanDerWaalsContact C-N 3.28Å; P18-M20 PolarHBondContact O-N 3.05Å; M20-L23 HydrophobicContact CE-CD2 4.34Å; M20-L23 PolarHBondContact O-N 2.99Å; M20-L23 HydrophobicContact SD-CD2 3.93Å; M20-Y24 HydrophobicContact CE-CD2 4.39Å; M20-Y24 HydrophobicContact CE-CE2 3.75Å; M20-Y24 WeakPolarHBondContact O-CB 3.3Å; M20-Y24 WeakPolarHBondContact O-CD2 3.42Å; M20-Y24 PolarHBondContact O-N 3.45Å; M20-L47 HydrophobicContact CE-CD1 4.06Å; M20-L51 HydrophobicContact SD-CD2 4.23Å; M20-M109 HydrophobicContact CG-CB 4.04Å; M20-M109 HydrophobicContact CG-CE 4.09Å; M20-M109 HydrophobicContact CG-CG 3.97Å; M20-M109 HydrophobicContact SD-CB 3.8Å; M20-M109 HydrophobicContact SD-CE 3.52Å; M20-M109 VanDerWaalsContact SD-CE 3.52Å; M20-M109 HydrophobicContact SD-CG 4.17Å; M20-N112 WeakPolarHBondContact CB-ND2 3.24Å; M20-N112 HydrophobicContact CG-CB 4.38Å; M20-N112 WeakPolarHBondContact CG-ND2 3.35Å; M20-W113 HydrophobicContact CE-CB 3.89Å
21	T	93.4	Very high	88.4	Confident	48 Å²	48	68.1 Å²	68.1	29%	0.294	36%	0.357	S	S	.	.	H	α-helix	trans	-60.4	-48.6	173.3	-47.7	0	0	0	0	111.3	H17 P18 L23 Y24 Q25	H17-T21 PolarHBondContact O-N 3.11Å; H17-T21 VanDerWaalsContact O-N 3.12Å; P18-T21 WeakPolarHBondContact O-CB 3.41Å; P18-T21 PolarHBondContact O-N 3.03Å; P18-T21 VanDerWaalsContact O-N 3.16Å; T21-L23 PolarHBondContact O-N 3.34Å; T21-Y24 PolarHBondContact O-N 3.44Å; T21-Q25 WeakPolarHBondContact O-CB 3.41Å; T21-Q25 VanDerWaalsContact O-CG 3.28Å; T21-Q25 WeakPolarHBondContact O-CG 3.48Å; T21-Q25 PolarHBondContact O-N 3.31Å
22	E	94.8	Very high	89.4	Confident	119 Å²	119	65.3 Å²	65.3	56%	0.556	35%	0.347	S	S	*	.	H	α-helix	trans	-56.2	-47.3	173	-176.7	-168.5	172.3	0	0	111.6	P18 Q25 S26	P18-E22 PolarHBondContact O-N 3.03Å; E22-Q25 PolarHBondContact O-N 2.95Å; E22-S26 WeakPolarHBondContact O-CB 3.38Å; E22-S26 PolarHBondContact O-N 3.25Å
23	L	95.9	Very high	90.1	Very high	15 Å²	15	61.5 Å²	61.5	8%	0.079	32%	0.324	C	S	.	.	H	α-helix	trans	-59.3	-50.5	176.6	176	63.7	0	0	0	111.6	K19 M20 T21 Q25 S26 L27 R46 L47 A50 M109	K19-L23 WeakPolarHBondContact O-CB 3.29Å; K19-L23 PolarHBondContact O-N 3.27Å; M20-L23 HydrophobicContact CE-CD2 4.34Å; M20-L23 PolarHBondContact O-N 2.99Å; M20-L23 HydrophobicContact SD-CD2 3.93Å; T21-L23 PolarHBondContact O-N 3.34Å; L23-Q25 PolarHBondContact O-N 2.96Å; L23-S26 CarbonylContact O-C 3.6Å; L23-S26 WeakPolarHBondContact O-CA 3.5Å; L23-S26 WeakPolarHBondContact O-CB 3.5Å; L23-S26 PolarHBondContact O-N 2.77Å; L23-S26 VanDerWaalsContact O-N 3.13Å; L23-S26 PolarHBondContact O-OG 3.04Å; L23-L27 HydrophobicContact CD1-CD2 4.46Å; L23-L27 WeakPolarHBondContact O-CG 3.24Å; L23-L27 PolarHBondContact O-N 3.07Å; L23-L27 VanDerWaalsContact O-N 3.08Å; L23-R46 HydrophobicContact CD1-CG 4.14Å; L23-L47 HydrophobicContact CD2-CD1 3.67Å; L23-A50 HydrophobicContact CD1-CB 3.94Å; L23-A50 HydrophobicContact CD2-CB 3.65Å; L23-A50 HydrophobicContact CG-CB 4.43Å; L23-M109 HydrophobicContact CD2-CE 4.18Å
24	Y	94.6	Very high	90.7	Very high	50 Å²	50	66.1 Å²	66.1	20%	0.196	33%	0.332	C	S	.	.	H	α-helix	trans	-61.4	-40.3	177.8	-83.6	-66.8	0	0	0	112.5	M20 T21 S26 L27 Q179 L180	M20-Y24 HydrophobicContact CE-CD2 4.39Å; M20-Y24 HydrophobicContact CE-CE2 3.75Å; M20-Y24 WeakPolarHBondContact O-CB 3.3Å; M20-Y24 WeakPolarHBondContact O-CD2 3.42Å; M20-Y24 PolarHBondContact O-N 3.45Å; T21-Y24 PolarHBondContact O-N 3.44Å; Y24-S26 VanDerWaalsContact C-N 3.32Å; Y24-S26 PolarHBondContact O-N 2.88Å; Y24-L27 HydrophobicContact CD1-CD1 3.95Å; Y24-L27 HydrophobicContact CE1-CD1 4.43Å; Y24-L27 WeakPolarHBondContact O-CB 3.25Å; Y24-L27 PolarHBondContact O-N 3.35Å; Y24-Q179 WeakPolarHBondContact OH-CG 3.41Å; Y24-Q179 PolarHBondContact OH-NE2 2.9Å; Y24-L180 HydrophobicContact CE1-CD2 4.13Å
25	Q	94.3	Very high	91	Very high	132 Å²	132	66.8 Å²	66.8	62%	0.617	33%	0.329	S	S	*	.	H	α-helix	trans	-58.8	-45.2	172.3	-73.4	168.4	-9.8	0	0	110.7	T21 E22 L23 L27 A28	T21-Q25 WeakPolarHBondContact O-CB 3.41Å; T21-Q25 VanDerWaalsContact O-CG 3.28Å; T21-Q25 WeakPolarHBondContact O-CG 3.48Å; T21-Q25 PolarHBondContact O-N 3.31Å; E22-Q25 PolarHBondContact O-N 2.95Å; L23-Q25 PolarHBondContact O-N 2.96Å; Q25-L27 PolarHBondContact O-N 3.4Å; Q25-A28 WeakPolarHBondContact O-CB 3.39Å; Q25-A28 PolarHBondContact O-N 2.91Å
26	S	95.9	Very high	91.4	Very high	22 Å²	22	61.7 Å²	61.7	15%	0.154	31%	0.313	C	S	.	.	H	α-helix	trans	-68.7	-8.7	175.5	86.7	0	0	0	0	114.6	E22 L23 Y24 A28 R46	E22-S26 WeakPolarHBondContact O-CB 3.38Å; E22-S26 PolarHBondContact O-N 3.25Å; L23-S26 CarbonylContact O-C 3.6Å; L23-S26 WeakPolarHBondContact O-CA 3.5Å; L23-S26 WeakPolarHBondContact O-CB 3.5Å; L23-S26 PolarHBondContact O-N 2.77Å; L23-S26 VanDerWaalsContact O-N 3.13Å; L23-S26 PolarHBondContact O-OG 3.04Å; Y24-S26 VanDerWaalsContact C-N 3.32Å; Y24-S26 PolarHBondContact O-N 2.88Å; S26-A28 VanDerWaalsContact C-N 3.28Å; S26-R46 VanDerWaalsContact CB-CZ 3.43Å; S26-R46 PolarHBondContact O-NH1 3.48Å; S26-R46 PolarHBondContact OG-NE 3.26Å
27	L	94.6	Very high	91.6	Very high	9 Å²	9	60.6 Å²	60.6	5%	0.047	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-16.4	169.1	-58.5	-168.3	0	0	0	112.1	L23 Y24 Q25 D29 L30 K43 R46 L180	L23-L27 HydrophobicContact CD1-CD2 4.46Å; L23-L27 WeakPolarHBondContact O-CG 3.24Å; L23-L27 PolarHBondContact O-N 3.07Å; L23-L27 VanDerWaalsContact O-N 3.08Å; Y24-L27 HydrophobicContact CD1-CD1 3.95Å; Y24-L27 HydrophobicContact CE1-CD1 4.43Å; Y24-L27 WeakPolarHBondContact O-CB 3.25Å; Y24-L27 PolarHBondContact O-N 3.35Å; Q25-L27 PolarHBondContact O-N 3.4Å; L27-D29 VanDerWaalsContact C-N 3.31Å; L27-D29 PolarHBondContact O-N 3.12Å; L27-L30 PolarHBondContact O-N 3.48Å; L27-K43 HydrophobicContact CB-CD 4.35Å; L27-K43 HydrophobicContact CB-CG 4.07Å; L27-K43 HydrophobicContact CD1-CB 4.2Å; L27-K43 HydrophobicContact CD1-CG 4.42Å; L27-K43 HydrophobicContact CD2-CB 4.37Å; L27-K43 HydrophobicContact CD2-CG 4.43Å; L27-K43 VanDerWaalsContact O-CE 3.24Å; L27-K43 WeakPolarHBondContact O-CE 3.46Å; L27-R46 HydrophobicContact CD2-CB 4.03Å; L27-R46 HydrophobicContact CD2-CG 4.29Å; L27-L180 HydrophobicContact CD1-CD2 3.66Å
28	A	91.1	Very high	91.7	Very high	53 Å²	53	59.1 Å²	59.1	44%	0.438	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-67.1	-30.9	176.6	0	0	0	0	0	112.7	Q25 S26 L30 N31	Q25-A28 WeakPolarHBondContact O-CB 3.39Å; Q25-A28 PolarHBondContact O-N 2.91Å; S26-A28 VanDerWaalsContact C-N 3.28Å; A28-L30 PolarHBondContact O-N 3.01Å; A28-N31 VanDerWaalsContact O-CB 3.28Å; A28-N31 WeakPolarHBondContact O-CB 3.28Å; A28-N31 PolarHBondContact O-N 2.91Å
29	D	91.7	Very high	91.9	Very high	96 Å²	96	57.4 Å²	57.4	51%	0.513	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-49.4	-31.7	173.9	-57	-19.1	0	0	0	112.7	L27 N32 R46	L27-D29 VanDerWaalsContact C-N 3.31Å; L27-D29 PolarHBondContact O-N 3.12Å; D29-N32 PolarHBondContact O-ND2 2.96Å; D29-N32 PolarHBondContact O-OD1 3.22Å; D29-R46 IonicContact OD2-CZ 2.71Å; D29-R46 IonicContact OD2-NH1 3.97Å; D29-R46 PolarHBondContact OD2-NH1 2.91Å; D29-R46 IonicContact OD2-NH2 2.67Å
30	L	92.9	Very high	92.1	Very high	24 Å²	24	52.5 Å²	52.5	13%	0.126	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-88.5	-4.6	-175.2	-60.4	173.8	0	0	0	113.4	L27 A28 N32 V33 R39 M42 K43	L27-L30 PolarHBondContact O-N 3.48Å; A28-L30 PolarHBondContact O-N 3.01Å; L30-N32 PolarHBondContact O-N 2.88Å; L30-N32 VanDerWaalsContact O-N 3.16Å; L30-V33 WeakPolarHBondContact O-CB 3.19Å; L30-V33 WeakPolarHBondContact O-CG2 3.17Å; L30-V33 PolarHBondContact O-N 3.19Å; L30-R39 WeakPolarHBondContact O-CD 3.37Å; L30-R39 WeakPolarHBondContact O-CG 3.4Å; L30-M42 HydrophobicContact CD1-CB 3.93Å; L30-M42 HydrophobicContact CD2-CB 4.3Å; L30-M42 HydrophobicContact CD2-CE 3.83Å; L30-K43 HydrophobicContact CB-CG 4.19Å; L30-K43 HydrophobicContact CD1-CB 4.37Å; L30-K43 HydrophobicContact CD1-CG 3.77Å
31	N	91.2	Very high	92.2	Very high	90 Å²	90	52.5 Å²	52.5	48%	0.481	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-63.5	-20.4	179.5	-70.5	-18	0	0	0	113	A28 V33 K43	A28-N31 VanDerWaalsContact O-CB 3.28Å; A28-N31 WeakPolarHBondContact O-CB 3.28Å; A28-N31 PolarHBondContact O-N 2.91Å; N31-V33 PolarHBondContact O-N 3.46Å; N31-K43 VanDerWaalsContact OD1-CE 3.32Å; N31-K43 WeakPolarHBondContact OD1-CE 3.5Å; N31-K43 PolarHBondContact OD1-NZ 3.27Å
32	N	86.8	Confident	92.3	Very high	121 Å²	121	52 Å²	52	65%	0.647	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-70.1	-10.8	172.5	62.6	24	0	0	0	114.6	D29 L30 R34	D29-N32 PolarHBondContact O-ND2 2.96Å; D29-N32 PolarHBondContact O-OD1 3.22Å; L30-N32 PolarHBondContact O-N 2.88Å; L30-N32 VanDerWaalsContact O-N 3.16Å; N32-R34 PolarHBondContact O-N 2.96Å
33	V	88.2	Confident	92.5	Very high	5 Å²	5	46.9 Å²	46.9	3%	0.03	23%	0.234	C	C	.	.			trans	-75.5	108	177.5	176.7	0	0	0	0	108.9	L30 N31 F35 R39 M42 F274	L30-V33 WeakPolarHBondContact O-CB 3.19Å; L30-V33 WeakPolarHBondContact O-CG2 3.17Å; L30-V33 PolarHBondContact O-N 3.19Å; N31-V33 PolarHBondContact O-N 3.46Å; V33-F35 VanDerWaalsContact C-N 3.3Å; V33-F35 PolarHBondContact O-N 2.99Å; V33-R39 HydrophobicContact CB-CB 3.89Å; V33-R39 HydrophobicContact CB-CG 4.32Å; V33-R39 HydrophobicContact CG1-CB 3.96Å; V33-R39 PolarHBondContact O-NH1 2.77Å; V33-M42 HydrophobicContact CG2-SD 4.06Å; V33-F274 HydrophobicContact CG1-CB 4.17Å; V33-F274 HydrophobicContact CG1-CD1 4.49Å; V33-F274 HydrophobicContact CG1-CD2 4.16Å; V33-F274 HydrophobicContact CG1-CG 4.04Å; V33-F274 HydrophobicContact CG2-CB 4.49Å; V33-F274 HydrophobicContact CG2-CD2 4.34Å
34	R	85.5	Confident	92.6	Very high	179 Å²	179	46.2 Å²	46.2	68%	0.675	23%	0.23	S	C	*	.	S	Bend	trans	-58.8	-37	-173.6	-173.8	175.8	-178	162.8	4.4	113.7	N32 S36 F274	N32-R34 PolarHBondContact O-N 2.96Å; R34-S36 PolarHBondContact O-N 2.92Å; R34-F274 WeakPolarHBondContact CB-O 3.46Å; R34-F274 PolarHBondContact N-O 3.11Å
35	F	85.6	Confident	92.8	Very high	66 Å²	66	45.1 Å²	45.1	29%	0.289	23%	0.226	S	C	.	.	S	Bend	trans	-87.4	108.8	-177.8	-58.1	-79.3	0	0	0	110.6	V33 A37 Y38 R39 F273 F274	V33-F35 VanDerWaalsContact C-N 3.3Å; V33-F35 PolarHBondContact O-N 2.99Å; F35-A37 VanDerWaalsContact C-N 3.31Å; F35-A37 PolarHBondContact O-N 2.84Å; F35-Y38 HydrophobicContact CB-CD2 3.82Å; F35-Y38 HydrophobicContact CB-CG 4.45Å; F35-Y38 PolarHBondContact O-N 3.37Å; F35-R39 PolarHBondContact O-N 3.44Å; F35-F273 HydrophobicContact CD2-CD1 4.29Å; F35-F273 AromaticContact CD2-CE1 3.9Å; F35-F273 HydrophobicContact CD2-CE1 3.9Å; F35-F273 HydrophobicContact CD2-CZ 4.48Å; F35-F273 HydrophobicContact CE1-CZ 4.43Å; F35-F273 AromaticContact CE2-CD1 3.8Å; F35-F273 HydrophobicContact CE2-CD1 3.8Å; F35-F273 AromaticContact CE2-CE1 3.41Å; F35-F273 HydrophobicContact CE2-CE1 3.41Å; F35-F273 VanDerWaalsContact CE2-CE1 3.41Å; F35-F273 HydrophobicContact CE2-CE2 4.23Å; F35-F273 HydrophobicContact CE2-CG 4.36Å; F35-F273 AromaticContact CE2-CZ 3.65Å; F35-F273 HydrophobicContact CE2-CZ 3.65Å; F35-F273 AromaticContact CZ-CE1 3.88Å; F35-F273 HydrophobicContact CZ-CE1 3.88Å; F35-F273 HydrophobicContact CZ-CE2 4.14Å; F35-F273 AromaticContact CZ-CZ 3.62Å; F35-F273 HydrophobicContact CZ-CZ 3.62Å; F35-F274 HydrophobicContact CD2-CD1 4.21Å
36	S	89.7	Confident	93	Very high	17 Å²	17	43.6 Å²	43.6	12%	0.119	22%	0.215	C	C	.	.	H	α-helix	trans	-55.9	-38.9	-174.7	50.4	0	0	0	0	114.7	R34 Y38 R39 T40 S185	R34-S36 PolarHBondContact O-N 2.92Å; S36-Y38 VanDerWaalsContact C-N 3.34Å; S36-Y38 PolarHBondContact O-N 3.43Å; S36-R39 PolarHBondContact O-N 2.87Å; S36-T40 WeakPolarHBondContact O-CB 3.45Å; S36-T40 PolarHBondContact O-N 2.82Å; S36-T40 PolarHBondContact O-OG1 3.19Å; S36-S185 VanDerWaalsContact CB-CB 3.46Å; S36-S185 WeakPolarHBondContact CB-OG 3.41Å; S36-S185 WeakPolarHBondContact OG-CB 3.45Å; S36-S185 PolarHBondContact OG-OG 2.72Å
37	A	89.4	Confident	93.1	Very high	12 Å²	12	42.7 Å²	42.7	10%	0.099	21%	0.208	C	C	.	.	H	α-helix	trans	-59.7	-42.5	174.8	0	0	0	0	0	112.3	F35 A41 V229	F35-A37 VanDerWaalsContact C-N 3.31Å; F35-A37 PolarHBondContact O-N 2.84Å; A37-A41 WeakPolarHBondContact O-CB 3.41Å; A37-A41 PolarHBondContact O-N 3.33Å; A37-V229 HydrophobicContact CB-CG2 3.98Å
38	Y	91.7	Very high	93.3	Very high	3 Å²	3	42.7 Å²	42.7	1%	0.012	21%	0.208	C	C	.	.	H	α-helix	trans	-73.9	-41.3	176.9	-72.6	-93.1	0	0	0	112	F35 S36 T40 A41 M42 V229 R232 V233 F256 F274 E290 Y326	F35-Y38 HydrophobicContact CB-CD2 3.82Å; F35-Y38 HydrophobicContact CB-CG 4.45Å; F35-Y38 PolarHBondContact O-N 3.37Å; S36-Y38 VanDerWaalsContact C-N 3.34Å; S36-Y38 PolarHBondContact O-N 3.43Å; Y38-T40 VanDerWaalsContact C-N 3.35Å; Y38-T40 PolarHBondContact O-N 3.1Å; Y38-A41 PolarHBondContact O-N 3.5Å; Y38-M42 WeakPolarHBondContact O-CB 3.31Å; Y38-M42 VanDerWaalsContact O-CG 3.26Å; Y38-M42 WeakPolarHBondContact O-CG 3.4Å; Y38-M42 PolarHBondContact O-N 2.88Å; Y38-V229 HydrophobicContact CD1-CG1 3.68Å; Y38-V229 HydrophobicContact CD2-CG1 4.12Å; Y38-V229 HydrophobicContact CE1-CG1 3.71Å; Y38-V229 HydrophobicContact CE2-CG1 4.09Å; Y38-V229 HydrophobicContact CG-CG1 3.89Å; Y38-R232 PolarHBondContact OH-NH2 3.2Å; Y38-V233 HydrophobicContact CD1-CG2 4.38Å; Y38-F256 HydrophobicContact CD1-CE2 4.19Å; Y38-F256 HydrophobicContact CD1-CZ 4.22Å; Y38-F256 HydrophobicContact CE1-CE1 4.11Å; Y38-F256 HydrophobicContact CE1-CE2 4.06Å; Y38-F256 AromaticContact CE1-CZ 3.7Å; Y38-F256 HydrophobicContact CE1-CZ 3.7Å; Y38-F274 AromaticContact CD1-CE1 3.58Å; Y38-F274 HydrophobicContact CD1-CE1 3.58Å; Y38-F274 HydrophobicContact CD1-CE2 4.49Å; Y38-F274 AromaticContact CD1-CZ 3.4Å; Y38-F274 HydrophobicContact CD1-CZ 3.4Å; Y38-F274 HydrophobicContact CE1-CE1 4.23Å; Y38-F274 HydrophobicContact CE1-CZ 4.19Å; Y38-F274 AromaticContact CG-CE1 3.74Å; Y38-F274 HydrophobicContact CG-CE1 3.74Å; Y38-F274 AromaticContact CG-CZ 3.89Å; Y38-F274 HydrophobicContact CG-CZ 3.89Å; Y38-E290 VanDerWaalsContact CZ-OE2 3.25Å; Y38-E290 PolarHBondContact OH-OE1 3.45Å; Y38-E290 VanDerWaalsContact OH-OE1 3.12Å; Y38-E290 PolarHBondContact OH-OE2 3.37Å; Y38-Y326 HydrophobicContact CE2-CD2 4.02Å; Y38-Y326 AromaticContact CE2-CE2 3.95Å; Y38-Y326 HydrophobicContact CE2-CE2 3.95Å; Y38-Y326 AromaticContact CZ-CE2 3.93Å; Y38-Y326 WeakPolarHBondContact OH-CE2 3.49Å; Y38-Y326 PolarHBondContact OH-OH 3.46Å
39	R	94.9	Very high	93.6	Very high	42 Å²	42	44.4 Å²	44.4	16%	0.158	21%	0.205	C	C	.	.	H	α-helix	trans	-55.1	-51.3	174.1	-178.5	170.8	62.1	-124.3	8.4	111.1	L30 V33 F35 S36 M42 K43 E182	L30-R39 WeakPolarHBondContact O-CD 3.37Å; L30-R39 WeakPolarHBondContact O-CG 3.4Å; V33-R39 HydrophobicContact CB-CB 3.89Å; V33-R39 HydrophobicContact CB-CG 4.32Å; V33-R39 HydrophobicContact CG1-CB 3.96Å; V33-R39 PolarHBondContact O-NH1 2.77Å; F35-R39 PolarHBondContact O-N 3.44Å; S36-R39 PolarHBondContact O-N 2.87Å; R39-M42 PolarHBondContact O-N 2.84Å; R39-K43 HydrophobicContact CG-CD 4.39Å; R39-K43 WeakPolarHBondContact O-CB 3.32Å; R39-K43 VanDerWaalsContact O-CG 3.32Å; R39-K43 WeakPolarHBondContact O-CG 3.39Å; R39-K43 PolarHBondContact O-N 3.43Å; R39-E182 WeakPolarHBondContact CD-OE1 2.74Å; R39-E182 WeakPolarHBondContact CG-OE1 3.43Å; R39-E182 IonicContact CZ-OE1 3.12Å; R39-E182 IonicContact CZ-OE2 2.74Å; R39-E182 VanDerWaalsContact CZ-OE2 3.28Å; R39-E182 VanDerWaalsContact NE-CD 3.29Å; R39-E182 IonicContact NE-OE1 3.67Å; R39-E182 PolarHBondContact NE-OE1 3.12Å; R39-E182 IonicContact NE-OE2 2.7Å; R39-E182 PolarHBondContact NE-OE2 3.04Å; R39-E182 IonicContact NH2-OE1 2.73Å; R39-E182 IonicContact NH2-OE2 3.17Å; R39-E182 PolarHBondContact NH2-OE2 2.93Å
40	T	97.4	Very high	93.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.1	-45.4	178	-53.1	0	0	0	0	111.3	S36 Y38 M42 K43 L44 P177 L180 E182 F186 W226	S36-T40 WeakPolarHBondContact O-CB 3.45Å; S36-T40 PolarHBondContact O-N 2.82Å; S36-T40 PolarHBondContact O-OG1 3.19Å; Y38-T40 VanDerWaalsContact C-N 3.35Å; Y38-T40 PolarHBondContact O-N 3.1Å; T40-M42 PolarHBondContact O-N 3.37Å; T40-K43 PolarHBondContact O-N 2.89Å; T40-L44 HydrophobicContact CG2-CD1 4.13Å; T40-L44 HydrophobicContact CG2-CG 4.47Å; T40-L44 WeakPolarHBondContact O-CB 3.49Å; T40-L44 VanDerWaalsContact O-CG 3.32Å; T40-L44 WeakPolarHBondContact O-CG 3.36Å; T40-L44 PolarHBondContact O-N 3.35Å; T40-P177 HydrophobicContact CG2-CB 4Å; T40-L180 HydrophobicContact CG2-CD1 4.03Å; T40-E182 HydrophobicContact CG2-CB 4.33Å; T40-E182 HydrophobicContact CG2-CG 4.41Å; T40-E182 WeakPolarHBondContact OG1-CB 3.37Å; T40-E182 WeakPolarHBondContact OG1-CG 3.4Å; T40-F186 HydrophobicContact CG2-CE2 3.77Å; T40-F186 HydrophobicContact CG2-CZ 3.83Å; T40-F186 WeakPolarHBondContact OG1-CE2 3.47Å; T40-F186 VanDerWaalsContact OG1-CZ 3.31Å; T40-F186 WeakPolarHBondContact OG1-CZ 3.46Å; T40-W226 HydrophobicContact CG2-CB 4.14Å
41	A	96.8	Very high	94.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.9	-39.3	176.6	0	0	0	0	0	113.2	A37 Y38 R45 V229 L230 V233	A37-A41 WeakPolarHBondContact O-CB 3.41Å; A37-A41 PolarHBondContact O-N 3.33Å; Y38-A41 PolarHBondContact O-N 3.5Å; A41-R45 VanDerWaalsContact O-CB 3.3Å; A41-R45 WeakPolarHBondContact O-CB 3.47Å; A41-R45 PolarHBondContact O-N 2.83Å; A41-V229 HydrophobicContact CB-CB 3.85Å; A41-V229 HydrophobicContact CB-CG1 3.52Å; A41-L230 HydrophobicContact CB-CB 4.28Å; A41-L230 WeakPolarHBondContact O-CD1 3.37Å; A41-V233 HydrophobicContact CB-CG2 3.86Å
42	M	95.9	Very high	94.4	Very high	36 Å²	36	36.7 Å²	36.7	18%	0.177	17%	0.17	C	C	.	.	H	α-helix	trans	-69.8	-40	175.4	-70.5	176.5	75.3	0	0	111.8	L30 V33 Y38 R39 T40 R45 R46 V233 F274	L30-M42 HydrophobicContact CD1-CB 3.93Å; L30-M42 HydrophobicContact CD2-CB 4.3Å; L30-M42 HydrophobicContact CD2-CE 3.83Å; V33-M42 HydrophobicContact CG2-SD 4.06Å; Y38-M42 WeakPolarHBondContact O-CB 3.31Å; Y38-M42 VanDerWaalsContact O-CG 3.26Å; Y38-M42 WeakPolarHBondContact O-CG 3.4Å; Y38-M42 PolarHBondContact O-N 2.88Å; R39-M42 PolarHBondContact O-N 2.84Å; T40-M42 PolarHBondContact O-N 3.37Å; M42-R45 PolarHBondContact O-N 3.43Å; M42-R46 PolarHBondContact O-N 2.88Å; M42-V233 HydrophobicContact CG-CG1 4.08Å; M42-V233 HydrophobicContact CG-CG2 4.21Å; M42-F274 HydrophobicContact CE-CE2 4.44Å; M42-F274 HydrophobicContact SD-CD2 3.9Å; M42-F274 HydrophobicContact SD-CE2 3.51Å; M42-F274 VanDerWaalsContact SD-CE2 3.51Å; M42-F274 HydrophobicContact SD-CZ 4.49Å
43	K	98.3	Very high	95	Very high	13 Å²	13	31 Å²	31	6%	0.057	14%	0.139	C	C	.	.	H	α-helix	trans	-58.8	-49.5	171.9	-75.9	179.1	175.1	176.2	0	110.9	L27 L30 N31 R39 T40 R45 R46 L47 L180 E182	L27-K43 HydrophobicContact CB-CD 4.35Å; L27-K43 HydrophobicContact CB-CG 4.07Å; L27-K43 HydrophobicContact CD1-CB 4.2Å; L27-K43 HydrophobicContact CD1-CG 4.42Å; L27-K43 HydrophobicContact CD2-CB 4.37Å; L27-K43 HydrophobicContact CD2-CG 4.43Å; L27-K43 VanDerWaalsContact O-CE 3.24Å; L27-K43 WeakPolarHBondContact O-CE 3.46Å; L30-K43 HydrophobicContact CB-CG 4.19Å; L30-K43 HydrophobicContact CD1-CB 4.37Å; L30-K43 HydrophobicContact CD1-CG 3.77Å; N31-K43 VanDerWaalsContact OD1-CE 3.32Å; N31-K43 WeakPolarHBondContact OD1-CE 3.5Å; N31-K43 PolarHBondContact OD1-NZ 3.27Å; R39-K43 HydrophobicContact CG-CD 4.39Å; R39-K43 WeakPolarHBondContact O-CB 3.32Å; R39-K43 VanDerWaalsContact O-CG 3.32Å; R39-K43 WeakPolarHBondContact O-CG 3.39Å; R39-K43 PolarHBondContact O-N 3.43Å; T40-K43 PolarHBondContact O-N 2.89Å; K43-R45 VanDerWaalsContact C-N 3.32Å; K43-R45 PolarHBondContact O-N 2.97Å; K43-R46 PolarHBondContact O-N 3.25Å; K43-L47 WeakPolarHBondContact O-CB 3.37Å; K43-L47 PolarHBondContact O-N 2.98Å; K43-L180 HydrophobicContact CB-CD1 3.81Å; K43-E182 IonicContact NZ-OE1 3.33Å; K43-E182 PolarHBondContact NZ-OE1 2.98Å
44	L	98.5	Very high	95.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.9	-34.2	175	-70.1	174.5	0	0	0	112.6	T40 L47 Q48 I176 L180 W226 L230	T40-L44 HydrophobicContact CG2-CD1 4.13Å; T40-L44 HydrophobicContact CG2-CG 4.47Å; T40-L44 WeakPolarHBondContact O-CB 3.49Å; T40-L44 VanDerWaalsContact O-CG 3.32Å; T40-L44 WeakPolarHBondContact O-CG 3.36Å; T40-L44 PolarHBondContact O-N 3.35Å; L44-L47 HydrophobicContact CD2-CD2 4.17Å; L44-Q48 WeakPolarHBondContact O-CB 3.33Å; L44-Q48 PolarHBondContact O-N 3.47Å; L44-I176 HydrophobicContact CD1-CG2 4.11Å; L44-I176 HydrophobicContact CD2-CG2 3.57Å; L44-L180 HydrophobicContact CD2-CD1 3.61Å; L44-L180 HydrophobicContact CD2-CG 4.47Å; L44-L180 HydrophobicContact CG-CD1 3.67Å; L44-W226 HydrophobicContact CD1-CD2 4.25Å; L44-W226 HydrophobicContact CD1-CE3 3.42Å; L44-W226 VanDerWaalsContact CD1-CE3 3.42Å; L44-W226 HydrophobicContact CD1-CZ3 3.95Å; L44-L230 HydrophobicContact CB-CD1 4.15Å; L44-L230 HydrophobicContact CB-CD2 4.26Å
45	R	98.1	Very high	96	Very high	27 Å²	27	25.4 Å²	25.4	10%	0.102	12%	0.123	C	C	.	.	H	α-helix	trans	-68.8	-40.5	176.3	-175.3	60.7	176.1	147.3	2.8	112.5	A41 M42 K43 Q48 K49 D54 L230 V233 E237	A41-R45 VanDerWaalsContact O-CB 3.3Å; A41-R45 WeakPolarHBondContact O-CB 3.47Å; A41-R45 PolarHBondContact O-N 2.83Å; M42-R45 PolarHBondContact O-N 3.43Å; K43-R45 VanDerWaalsContact C-N 3.32Å; K43-R45 PolarHBondContact O-N 2.97Å; R45-Q48 VanDerWaalsContact CD-OE1 3.27Å; R45-Q48 PolarHBondContact O-N 3.02Å; R45-K49 VanDerWaalsContact CZ-CE 3.49Å; R45-K49 VanDerWaalsContact NH2-CE 3.26Å; R45-K49 PolarHBondContact O-N 3.46Å; R45-D54 IonicContact CZ-OD2 2.81Å; R45-D54 VanDerWaalsContact NH1-CG 3.31Å; R45-D54 IonicContact NH1-OD2 3.84Å; R45-D54 PolarHBondContact NH1-OD2 3.4Å; R45-D54 IonicContact NH2-OD2 3.96Å; R45-D54 PolarHBondContact NH2-OD2 3.12Å; R45-L230 HydrophobicContact CB-CD1 3.81Å; R45-V233 HydrophobicContact CB-CG1 4.08Å; R45-V233 HydrophobicContact CG-CG1 4.07Å; R45-E237 WeakPolarHBondContact CG-OE1 3.37Å; R45-E237 IonicContact CZ-OE1 3.7Å; R45-E237 IonicContact CZ-OE2 2.9Å; R45-E237 VanDerWaalsContact CZ-OE2 3.3Å; R45-E237 VanDerWaalsContact NE-CD 3.31Å; R45-E237 IonicContact NE-OE1 3.28Å; R45-E237 PolarHBondContact NE-OE1 2.99Å; R45-E237 IonicContact NE-OE2 2.77Å; R45-E237 PolarHBondContact NE-OE2 3.24Å; R45-E237 VanDerWaalsContact NE-OE2 3.08Å; R45-E237 IonicContact NH2-OE2 3.71Å; R45-E237 PolarHBondContact NH2-OE2 3.3Å
46	R	98.2	Very high	96.6	Very high	101 Å²	101	22.3 Å²	22.3	38%	0.381	11%	0.109	S	C	.	.	H	α-helix	trans	-64.5	-42.6	174.6	-165	171.5	-174.7	167.8	5.7	110.7	L23 S26 L27 D29 M42 K43 A50	L23-R46 HydrophobicContact CD1-CG 4.14Å; S26-R46 VanDerWaalsContact CB-CZ 3.43Å; S26-R46 PolarHBondContact O-NH1 3.48Å; S26-R46 PolarHBondContact OG-NE 3.26Å; L27-R46 HydrophobicContact CD2-CB 4.03Å; L27-R46 HydrophobicContact CD2-CG 4.29Å; D29-R46 IonicContact OD2-CZ 2.71Å; D29-R46 IonicContact OD2-NH1 3.97Å; D29-R46 PolarHBondContact OD2-NH1 2.91Å; D29-R46 IonicContact OD2-NH2 2.67Å; M42-R46 PolarHBondContact O-N 2.88Å; K43-R46 PolarHBondContact O-N 3.25Å; R46-A50 WeakPolarHBondContact O-CB 3.34Å; R46-A50 PolarHBondContact O-N 2.83Å; R46-A50 VanDerWaalsContact O-N 3.14Å
47	L	98.4	Very high	97	Very high	2 Å²	2	23 Å²	23	1%	0.01	11%	0.114	C	C	.	.	H	α-helix	trans	-62.6	-49.1	172.5	174.1	68.2	0	0	0	113	M20 L23 K43 L44 K49 A50 L51 W113 L138	M20-L47 HydrophobicContact CE-CD1 4.06Å; L23-L47 HydrophobicContact CD2-CD1 3.67Å; K43-L47 WeakPolarHBondContact O-CB 3.37Å; K43-L47 PolarHBondContact O-N 2.98Å; L44-L47 HydrophobicContact CD2-CD2 4.17Å; L47-K49 VanDerWaalsContact C-N 3.27Å; L47-K49 PolarHBondContact O-N 2.92Å; L47-A50 PolarHBondContact O-N 3.26Å; L47-A50 VanDerWaalsContact O-N 3.08Å; L47-L51 HydrophobicContact CD1-CD1 3.8Å; L47-L51 HydrophobicContact CD1-CG 3.96Å; L47-L51 HydrophobicContact CG-CD1 4.12Å; L47-L51 HydrophobicContact CG-CG 4.46Å; L47-L51 WeakPolarHBondContact O-CG 3.27Å; L47-L51 PolarHBondContact O-N 3.31Å; L47-W113 HydrophobicContact CD1-CG 4.39Å; L47-W113 HydrophobicContact CD2-CD2 4.49Å; L47-W113 HydrophobicContact CD2-CG 4.39Å; L47-L138 HydrophobicContact CD2-CD1 4.32Å
48	Q	98.5	Very high	97.4	Very high	9 Å²	9	24.1 Å²	24.1	4%	0.042	12%	0.118	C	C	.	.	H	α-helix	trans	-54.9	-43.5	-178.6	-176.8	-169.2	31.8	0	0	111.6	L44 R45 L51 C52 L53 D54 L138	L44-Q48 WeakPolarHBondContact O-CB 3.33Å; L44-Q48 PolarHBondContact O-N 3.47Å; R45-Q48 VanDerWaalsContact CD-OE1 3.27Å; R45-Q48 PolarHBondContact O-N 3.02Å; Q48-L51 CarbonylContact O-C 3Å; Q48-L51 PolarHBondContact O-N 2.83Å; Q48-C52 PolarHBondContact O-N 3.48Å; Q48-C52 VanDerWaalsContact O-N 3.12Å; Q48-L53 HydrophobicContact CG-CB 4.25Å; Q48-L53 PolarHBondContact O-N 3.29Å; Q48-D54 HydrophobicContact CG-CB 3.88Å; Q48-L138 HydrophobicContact CG-CB 4.36Å; Q48-L138 WeakPolarHBondContact CG-O 3.33Å; Q48-L138 PolarHBondContact NE2-O 2.88Å
49	K	97.6	Very high	97.7	Very high	89 Å²	89	27.4 Å²	27.4	39%	0.387	14%	0.142	S	C	.	.	H	α-helix	trans	-66.7	-44.9	174.4	-79.5	175	168.3	167	0	113	R45 L47 L51 C52 D54 E237	R45-K49 VanDerWaalsContact CZ-CE 3.49Å; R45-K49 VanDerWaalsContact NH2-CE 3.26Å; R45-K49 PolarHBondContact O-N 3.46Å; L47-K49 VanDerWaalsContact C-N 3.27Å; L47-K49 PolarHBondContact O-N 2.92Å; K49-L51 PolarHBondContact O-N 2.71Å; K49-C52 PolarHBondContact O-N 2.91Å; K49-D54 WeakPolarHBondContact CG-OD2 3.42Å; K49-E237 IonicContact NZ-OE1 2.85Å; K49-E237 PolarHBondContact NZ-OE1 2.9Å; K49-E237 IonicContact NZ-OE2 3.89Å; K49-E237 PolarHBondContact NZ-OE2 3.47Å
50	A	97.8	Very high	97.8	Very high	34 Å²	34	25.6 Å²	25.6	28%	0.281	14%	0.136	S	C	.	.	H	α-helix	trans	-64.6	-24.7	178.1	0	0	0	0	0	113.1	L23 R46 L47 M109	L23-A50 HydrophobicContact CD1-CB 3.94Å; L23-A50 HydrophobicContact CD2-CB 3.65Å; L23-A50 HydrophobicContact CG-CB 4.43Å; R46-A50 WeakPolarHBondContact O-CB 3.34Å; R46-A50 PolarHBondContact O-N 2.83Å; R46-A50 VanDerWaalsContact O-N 3.14Å; L47-A50 PolarHBondContact O-N 3.26Å; L47-A50 VanDerWaalsContact O-N 3.08Å; A50-M109 HydrophobicContact CB-CE 4.38Å
51	L	98	Very high	97.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	3.2	171	-58.9	-175.1	0	0	0	113.4	M20 L47 Q48 K49 L53 Y90 M109 C110 W113	M20-L51 HydrophobicContact SD-CD2 4.23Å; L47-L51 HydrophobicContact CD1-CD1 3.8Å; L47-L51 HydrophobicContact CD1-CG 3.96Å; L47-L51 HydrophobicContact CG-CD1 4.12Å; L47-L51 HydrophobicContact CG-CG 4.46Å; L47-L51 WeakPolarHBondContact O-CG 3.27Å; L47-L51 PolarHBondContact O-N 3.31Å; Q48-L51 CarbonylContact O-C 3Å; Q48-L51 PolarHBondContact O-N 2.83Å; K49-L51 PolarHBondContact O-N 2.71Å; L51-L53 HydrophobicContact CB-CD1 4.01Å; L51-L53 HydrophobicContact CB-CG 3.87Å; L51-L53 HydrophobicContact CD1-CD1 4.05Å; L51-L53 PolarHBondContact O-N 3.27Å; L51-Y90 VanDerWaalsContact O-CE1 3.29Å; L51-Y90 WeakPolarHBondContact O-CE1 3.42Å; L51-Y90 PolarHBondContact O-OH 2.92Å; L51-M109 HydrophobicContact CD2-CB 3.6Å; L51-C110 HydrophobicContact CD2-CB 4.17Å; L51-W113 HydrophobicContact CD1-CB 3.97Å; L51-W113 HydrophobicContact CD1-CD2 3.82Å; L51-W113 HydrophobicContact CD1-CE3 3.66Å; L51-W113 HydrophobicContact CD1-CG 3.94Å; L51-W113 HydrophobicContact CD1-CZ3 4.47Å
52	C	98.3	Very high	97.9	Very high	15 Å²	15	27 Å²	27	10%	0.101	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	18.7	-174.8	-54.2	0	0	0	0	115.2	Q48 K49 D54 L55 Y90 V101	Q48-C52 PolarHBondContact O-N 3.48Å; Q48-C52 VanDerWaalsContact O-N 3.12Å; K49-C52 PolarHBondContact O-N 2.91Å; C52-D54 VanDerWaalsContact C-N 3.26Å; C52-D54 PolarHBondContact O-N 2.88Å; C52-L55 HydrophobicContact CB-CD1 4.2Å; C52-L55 VanDerWaalsContact O-CB 3.29Å; C52-L55 WeakPolarHBondContact O-CB 3.47Å; C52-L55 PolarHBondContact O-N 3.13Å; C52-Y90 HydrophobicContact CB-CE1 4.39Å; C52-V101 HydrophobicContact CB-CG2 4.44Å
53	L	98.4	Very high	98	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-73.9	-17.7	-176.3	-66.6	176.7	0	0	0	112.3	Q48 L51 L55 L56 W113 I135 L138 C139 K140	Q48-L53 HydrophobicContact CG-CB 4.25Å; Q48-L53 PolarHBondContact O-N 3.29Å; L51-L53 HydrophobicContact CB-CD1 4.01Å; L51-L53 HydrophobicContact CB-CG 3.87Å; L51-L53 HydrophobicContact CD1-CD1 4.05Å; L51-L53 PolarHBondContact O-N 3.27Å; L53-L55 PolarHBondContact O-N 2.98Å; L53-L56 HydrophobicContact CD2-CD2 3.94Å; L53-L56 WeakPolarHBondContact O-CB 3.49Å; L53-L56 PolarHBondContact O-N 3.29Å; L53-W113 HydrophobicContact CD1-CZ3 4.2Å; L53-I135 HydrophobicContact CD1-CD1 4.48Å; L53-I135 HydrophobicContact CD2-CD1 4.23Å; L53-L138 CarbonylContact C-O 3.54Å; L53-L138 HydrophobicContact CB-CB 4.08Å; L53-L138 WeakPolarHBondContact CB-O 3.02Å; L53-L138 HydrophobicContact CD1-CB 3.75Å; L53-L138 HydrophobicContact CD1-CD1 4.1Å; L53-C139 CarbonylContact O-C 3.59Å; L53-C139 VanDerWaalsContact O-CA 3.31Å; L53-C139 WeakPolarHBondContact O-CA 3.5Å; L53-K140 PolarHBondContact O-N 2.95Å
54	D	97.3	Very high	98	Very high	35 Å²	35	28 Å²	28	19%	0.187	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-74.3	-0.4	166.4	65.9	-30.7	0	0	0	114.2	R45 Q48 K49 C52 K140	R45-D54 IonicContact CZ-OD2 2.81Å; R45-D54 VanDerWaalsContact NH1-CG 3.31Å; R45-D54 IonicContact NH1-OD2 3.84Å; R45-D54 PolarHBondContact NH1-OD2 3.4Å; R45-D54 IonicContact NH2-OD2 3.96Å; R45-D54 PolarHBondContact NH2-OD2 3.12Å; Q48-D54 HydrophobicContact CG-CB 3.88Å; K49-D54 WeakPolarHBondContact CG-OD2 3.42Å; C52-D54 VanDerWaalsContact C-N 3.26Å; C52-D54 PolarHBondContact O-N 2.88Å; D54-K140 WeakPolarHBondContact O-CB 3.38Å; D54-K140 WeakPolarHBondContact O-CD 3.39Å
55	L	97.4	Very high	98	Very high	33 Å²	33	28.2 Å²	28.2	17%	0.173	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-94.2	-14.9	163.4	-52.9	-177.1	0	0	0	112.5	C52 L53 S57 L93 H97 L100 V101 K140	C52-L55 HydrophobicContact CB-CD1 4.2Å; C52-L55 VanDerWaalsContact O-CB 3.29Å; C52-L55 WeakPolarHBondContact O-CB 3.47Å; C52-L55 PolarHBondContact O-N 3.13Å; L53-L55 PolarHBondContact O-N 2.98Å; L55-S57 PolarHBondContact O-N 2.96Å; L55-L93 HydrophobicContact CB-CD2 4.04Å; L55-L93 WeakPolarHBondContact O-CD2 3.47Å; L55-H97 HydrophobicContact CD1-CB 4.17Å; L55-L100 HydrophobicContact CD1-CB 4.47Å; L55-V101 HydrophobicContact CD1-CG2 4.09Å; L55-K140 WeakPolarHBondContact O-CD 3.41Å; L55-K140 WeakPolarHBondContact O-CE 3.46Å; L55-K140 PolarHBondContact O-NZ 3.41Å
56	L	98.4	Very high	97.9	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	17%	0.171	C	C	.	.			trans	-81.7	115.9	-174.9	-176.1	54.4	0	0	0	113.4	L53 A60 A61 I89 L93 I135 C139 K140	L53-L56 HydrophobicContact CD2-CD2 3.94Å; L53-L56 WeakPolarHBondContact O-CB 3.49Å; L53-L56 PolarHBondContact O-N 3.29Å; L56-A60 HydrophobicContact CD1-CB 3.96Å; L56-A61 HydrophobicContact CD1-CB 4.17Å; L56-A61 HydrophobicContact CD2-CB 4.03Å; L56-A61 HydrophobicContact CG-CB 4.07Å; L56-I89 HydrophobicContact CD1-CG2 3.91Å; L56-I89 HydrophobicContact CD2-CG2 3.91Å; L56-I89 HydrophobicContact CG-CG2 4.5Å; L56-L93 HydrophobicContact CB-CD1 4.21Å; L56-L93 HydrophobicContact CD1-CD1 4.4Å; L56-I135 HydrophobicContact CD2-CG2 3.59Å; L56-C139 HydrophobicContact CB-CB 4.28Å; L56-C139 HydrophobicContact CD2-CB 4.46Å; L56-C139 HydrophobicContact CG-CB 4.25Å; L56-C139 WeakPolarHBondContact O-CB 3.45Å; L56-K140 WeakPolarHBondContact O-CG 3.48Å; L56-K140 PolarHBondContact O-N 3.24Å
57	S	98.1	Very high	97.9	Very high	32 Å²	32	32.4 Å²	32.4	22%	0.224	18%	0.181	C	C	.	.			trans	-76.2	154.9	171.4	75.2	0	0	0	0	112.4	L55 S59 A60 A61	L55-S57 PolarHBondContact O-N 2.96Å; S57-S59 VanDerWaalsContact C-N 3.28Å; S57-S59 PolarHBondContact O-N 3.45Å; S57-A60 PolarHBondContact O-N 3.5Å; S57-A60 VanDerWaalsContact OG-CB 3.29Å; S57-A60 WeakPolarHBondContact OG-CB 3.29Å; S57-A60 PolarHBondContact OG-N 3.39Å; S57-A61 PolarHBondContact O-N 3.38Å
58	L	98	Very high	97.9	Very high	35 Å²	35	35 Å²	35	18%	0.183	19%	0.193	C	C	.	.	H	α-helix	trans	-61.1	-37.9	174.1	178.1	60.2	0	0	0	111.6	A61 C62 I136 A141 D145 Y149	L58-A61 PolarHBondContact O-N 3.07Å; L58-C62 WeakPolarHBondContact O-CB 3.42Å; L58-C62 PolarHBondContact O-N 3Å; L58-C62 PolarHBondContact O-SG 3.46Å; L58-I136 HydrophobicContact CD1-CD1 3.76Å; L58-I136 HydrophobicContact CD1-CG2 4.11Å; L58-A141 HydrophobicContact CB-CB 3.63Å; L58-D145 HydrophobicContact CD2-CB 3.88Å; L58-Y149 HydrophobicContact CD1-CD2 3.86Å; L58-Y149 HydrophobicContact CD1-CE2 4.45Å; L58-Y149 HydrophobicContact CD1-CG 4.03Å
59	S	97.9	Very high	97.8	Very high	72 Å²	72	40.2 Å²	40.2	50%	0.503	22%	0.221	S	C	.	.	H	α-helix	trans	-61	-52.8	175.7	-161	0	0	0	0	110.7	S57 A61 C62 D63	S57-S59 VanDerWaalsContact C-N 3.28Å; S57-S59 PolarHBondContact O-N 3.45Å; S59-A61 VanDerWaalsContact C-N 3.27Å; S59-A61 PolarHBondContact O-N 3.11Å; S59-C62 CarbonylContact O-C 3.51Å; S59-C62 WeakPolarHBondContact O-CA 3.31Å; S59-C62 WeakPolarHBondContact O-CB 3.26Å; S59-C62 PolarHBondContact O-N 3.12Å; S59-D63 PolarHBondContact O-N 2.96Å
60	A	97.7	Very high	97.6	Very high	4 Å²	4	36.5 Å²	36.5	3%	0.033	21%	0.206	C	C	.	.	H	α-helix	trans	-60.8	-35.3	-178.9	0	0	0	0	0	113	L56 S57 A64	L56-A60 HydrophobicContact CD1-CB 3.96Å; S57-A60 PolarHBondContact O-N 3.5Å; S57-A60 VanDerWaalsContact OG-CB 3.29Å; S57-A60 WeakPolarHBondContact OG-CB 3.29Å; S57-A60 PolarHBondContact OG-N 3.39Å; A60-A64 PolarHBondContact O-N 2.84Å
61	A	98.1	Very high	97.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-66.1	-45.7	172.2	0	0	0	0	0	112.1	L56 S57 L58 S59 A64 L65 I135 I136	L56-A61 HydrophobicContact CD1-CB 4.17Å; L56-A61 HydrophobicContact CD2-CB 4.03Å; L56-A61 HydrophobicContact CG-CB 4.07Å; S57-A61 PolarHBondContact O-N 3.38Å; L58-A61 PolarHBondContact O-N 3.07Å; S59-A61 VanDerWaalsContact C-N 3.27Å; S59-A61 PolarHBondContact O-N 3.11Å; A61-A64 PolarHBondContact O-N 3.29Å; A61-L65 WeakPolarHBondContact O-CB 3.43Å; A61-L65 WeakPolarHBondContact O-CD1 3.4Å; A61-L65 WeakPolarHBondContact O-CG 3.3Å; A61-L65 PolarHBondContact O-N 3.11Å; A61-I135 HydrophobicContact CB-CG2 4.46Å; A61-I136 HydrophobicContact CB-CD1 3.52Å
62	C	98.1	Very high	97.1	Very high	28 Å²	28	46.8 Å²	46.8	19%	0.189	25%	0.246	C	C	.	.	H	α-helix	trans	-59.8	-47.3	174.7	-70.6	0	0	0	0	112	L58 S59 A64 L65 D66 Y149	L58-C62 WeakPolarHBondContact O-CB 3.42Å; L58-C62 PolarHBondContact O-N 3Å; L58-C62 PolarHBondContact O-SG 3.46Å; S59-C62 CarbonylContact O-C 3.51Å; S59-C62 WeakPolarHBondContact O-CA 3.31Å; S59-C62 WeakPolarHBondContact O-CB 3.26Å; S59-C62 PolarHBondContact O-N 3.12Å; C62-A64 VanDerWaalsContact C-N 3.31Å; C62-A64 PolarHBondContact O-N 3.48Å; C62-L65 PolarHBondContact O-N 3.41Å; C62-L65 VanDerWaalsContact O-N 3.13Å; C62-D66 WeakPolarHBondContact O-CB 3.33Å; C62-D66 PolarHBondContact O-N 2.93Å; C62-Y149 WeakPolarHBondContact SG-CE2 3.35Å
63	D	97.8	Very high	97	Very high	67 Å²	67	47.2 Å²	47.2	36%	0.358	25%	0.247	S	C	.	.	H	α-helix	trans	-55.6	-46.2	-179	-57.7	-26.3	0	0	0	110.7	S59 Q67 R92	S59-D63 PolarHBondContact O-N 2.96Å; D63-Q67 WeakPolarHBondContact O-CB 3.44Å; D63-Q67 PolarHBondContact O-N 3.37Å; D63-R92 IonicContact OD2-CZ 3.83Å; D63-R92 IonicContact OD2-NH1 3.56Å; D63-R92 PolarHBondContact OD2-NH1 3.02Å; D63-R92 IonicContact OD2-NH2 2.77Å
64	A	97.9	Very high	96.8	Very high	4 Å²	4	52.6 Å²	52.6	3%	0.033	28%	0.276	C	S	.	.	H	α-helix	trans	-67.3	-43	176.2	0	0	0	0	0	112.9	A60 A61 C62 D66 Q67 H68 T88 I89	A60-A64 PolarHBondContact O-N 2.84Å; A61-A64 PolarHBondContact O-N 3.29Å; C62-A64 VanDerWaalsContact C-N 3.31Å; C62-A64 PolarHBondContact O-N 3.48Å; A64-D66 VanDerWaalsContact C-N 3.31Å; A64-D66 PolarHBondContact O-N 2.84Å; A64-Q67 PolarHBondContact O-N 2.89Å; A64-H68 PolarHBondContact O-CD2 2.77Å; A64-H68 VanDerWaalsContact O-CD2 3.3Å; A64-H68 PolarHBondContact O-N 3.2Å; A64-T88 HydrophobicContact CB-CG2 4.07Å; A64-I89 HydrophobicContact CB-CD1 4.35Å; A64-I89 HydrophobicContact CB-CG1 3.65Å
65	L	97.9	Very high	96.7	Very high	5 Å²	5	56.4 Å²	56.4	3%	0.026	29%	0.293	C	S	.	.	H	α-helix	trans	-61.9	-38.4	177.3	-71.7	163.7	0	0	0	112.1	A61 C62 N69 L70 F131 K132 Y149	A61-L65 WeakPolarHBondContact O-CB 3.43Å; A61-L65 WeakPolarHBondContact O-CD1 3.4Å; A61-L65 WeakPolarHBondContact O-CG 3.3Å; A61-L65 PolarHBondContact O-N 3.11Å; C62-L65 PolarHBondContact O-N 3.41Å; C62-L65 VanDerWaalsContact O-N 3.13Å; L65-N69 PolarHBondContact O-N 2.86Å; L65-L70 HydrophobicContact CD2-CB 4.19Å; L65-L70 HydrophobicContact CD2-CD1 3.83Å; L65-L70 WeakPolarHBondContact O-CB 3.31Å; L65-L70 PolarHBondContact O-N 3.03Å; L65-F131 HydrophobicContact CD2-CD1 3.78Å; L65-F131 HydrophobicContact CD2-CE1 3.64Å; L65-K132 HydrophobicContact CD1-CG 4.04Å; L65-K132 HydrophobicContact CD2-CG 3.89Å; L65-Y149 WeakPolarHBondContact CD1-OH 3.48Å
66	D	97.1	Very high	96.7	Very high	88 Å²	88	57.9 Å²	57.9	47%	0.471	30%	0.304	S	S	.	.	H	α-helix	trans	-72.5	-40.3	176.1	-92.9	-57	0	0	0	112.2	C62 A64 H68 N69 K71	C62-D66 WeakPolarHBondContact O-CB 3.33Å; C62-D66 PolarHBondContact O-N 2.93Å; A64-D66 VanDerWaalsContact C-N 3.31Å; A64-D66 PolarHBondContact O-N 2.84Å; D66-H68 VanDerWaalsContact C-N 3.34Å; D66-H68 PolarHBondContact O-N 3.29Å; D66-N69 WeakPolarHBondContact O-CA 3.37Å; D66-N69 PolarHBondContact O-N 3.02Å; D66-K71 WeakPolarHBondContact OD1-CE 3.33Å; D66-K71 IonicContact OD1-NZ 3.3Å; D66-K71 PolarHBondContact OD1-NZ 3.29Å; D66-K71 VanDerWaalsContact OD1-NZ 3.12Å
67	Q	97.9	Very high	96.6	Very high	127 Å²	127	57.9 Å²	57.9	59%	0.593	30%	0.304	S	S	*	.	H	α-helix	trans	-60	-41.6	174.8	-179.5	175.7	-11	0	0	112.2	D63 A64 N69	D63-Q67 WeakPolarHBondContact O-CB 3.44Å; D63-Q67 PolarHBondContact O-N 3.37Å; A64-Q67 PolarHBondContact O-N 2.89Å; Q67-N69 PolarHBondContact O-N 2.82Å; Q67-N69 PolarHBondContact O-ND2 3.42Å
68	H	97.6	Very high	96.6	Very high	58 Å²	58	59.2 Å²	59.2	27%	0.269	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	8.1	174.5	-71.7	-77	0	0	0	113.7	A64 D66 L70 N84 C85 T88	A64-H68 PolarHBondContact O-CD2 2.77Å; A64-H68 VanDerWaalsContact O-CD2 3.3Å; A64-H68 PolarHBondContact O-N 3.2Å; D66-H68 VanDerWaalsContact C-N 3.34Å; D66-H68 PolarHBondContact O-N 3.29Å; H68-L70 HydrophobicContact CB-CD1 3.81Å; H68-L70 HydrophobicContact CB-CD2 4.49Å; H68-L70 HydrophobicContact CB-CG 3.83Å; H68-L70 PolarHBondContact O-N 3.07Å; H68-N84 PolarHBondContact CE1-O 3.19Å; H68-N84 PolarHBondContact NE2-O 2.91Å; H68-C85 HydrophobicContact CB-CB 4.48Å; H68-T88 PolarHBondContact NE2-OG1 3.28Å
69	N	96.4	Very high	96.5	Very high	117 Å²	117	59 Å²	59	63%	0.626	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	29.4	176.9	-69.1	-84.2	0	0	0	115.1	L65 D66 Q67 K71	L65-N69 PolarHBondContact O-N 2.86Å; D66-N69 WeakPolarHBondContact O-CA 3.37Å; D66-N69 PolarHBondContact O-N 3.02Å; Q67-N69 PolarHBondContact O-N 2.82Å; Q67-N69 PolarHBondContact O-ND2 3.42Å; N69-K71 PolarHBondContact O-N 3.42Å
70	L	94.8	Very high	96.5	Very high	12 Å²	12	60.6 Å²	60.6	6%	0.063	31%	0.31	C	S	.	.			trans	-79.3	61	-173.7	-57.9	173	0	0	0	111.6	L65 H68 M77 C85 V128 F131 K132	L65-L70 HydrophobicContact CD2-CB 4.19Å; L65-L70 HydrophobicContact CD2-CD1 3.83Å; L65-L70 WeakPolarHBondContact O-CB 3.31Å; L65-L70 PolarHBondContact O-N 3.03Å; H68-L70 HydrophobicContact CB-CD1 3.81Å; H68-L70 HydrophobicContact CB-CD2 4.49Å; H68-L70 HydrophobicContact CB-CG 3.83Å; H68-L70 PolarHBondContact O-N 3.07Å; L70-M77 HydrophobicContact CD1-CE 3.37Å; L70-M77 HydrophobicContact CD1-SD 4.09Å; L70-M77 HydrophobicContact CD2-CE 3.77Å; L70-M77 HydrophobicContact CD2-CG 4.44Å; L70-M77 HydrophobicContact CD2-SD 3.95Å; L70-M77 HydrophobicContact CG-CE 4.24Å; L70-C85 HydrophobicContact CD1-CB 4.1Å; L70-V128 HydrophobicContact CB-CG1 4.03Å; L70-V128 HydrophobicContact CD2-CG2 4.28Å; L70-F131 HydrophobicContact CD1-CD1 4.42Å; L70-F131 HydrophobicContact CD1-CE1 4.24Å; L70-K132 WeakPolarHBondContact O-CE 3.43Å; L70-K132 PolarHBondContact O-NZ 3.04Å
71	K	90.9	Very high	96.5	Very high	114 Å²	114	64.3 Å²	64.3	50%	0.496	33%	0.327	S	S	.	.			trans	-99.3	-30.2	-171	-71.1	166.8	177.7	161.2	0	113.6	D66 N69 N73	D66-K71 WeakPolarHBondContact OD1-CE 3.33Å; D66-K71 IonicContact OD1-NZ 3.3Å; D66-K71 PolarHBondContact OD1-NZ 3.29Å; D66-K71 VanDerWaalsContact OD1-NZ 3.12Å; N69-K71 PolarHBondContact O-N 3.42Å; K71-N73 PolarHBondContact O-N 3.03Å
72	Q	93.9	Very high	96.5	Very high	136 Å²	136	64.3 Å²	64.3	64%	0.636	33%	0.327	S	S	*	.			trans	-90	99.4	-179.5	-64.8	-64.3	-10.3	0	0	110.2	D74 Q75 V128	Q72-D74 VanDerWaalsContact C-N 3.32Å; Q72-D74 PolarHBondContact O-N 3.25Å; Q72-Q75 HydrophobicContact CB-CB 4.27Å; Q72-Q75 HydrophobicContact CB-CG 3.58Å; Q72-Q75 HydrophobicContact CG-CG 4.5Å; Q72-Q75 WeakPolarHBondContact O-CB 3.24Å; Q72-Q75 PolarHBondContact O-N 3.29Å; Q72-V128 WeakPolarHBondContact O-CB 3.37Å
73	N	96.2	Very high	96.5	Very high	23 Å²	23	65 Å²	65	12%	0.123	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-25.8	-167.5	-71.7	-24.1	0	0	0	114.6	K71 L129 K132 Q153	K71-N73 PolarHBondContact O-N 3.03Å; N73-L129 HydrophobicContact CB-CB 4.14Å; N73-L129 HydrophobicContact CB-CD1 4.47Å; N73-L129 WeakPolarHBondContact O-CB 3.48Å; N73-L129 PolarHBondContact O-N 2.92Å; N73-K132 PolarHBondContact OD1-NZ 3.49Å; N73-Q153 WeakPolarHBondContact ND2-CA 3.45Å; N73-Q153 WeakPolarHBondContact ND2-CB 3.27Å; N73-Q153 PolarHBondContact ND2-O 2.95Å; N73-Q153 PolarHBondContact ND2-OE1 3Å
74	D	94.1	Very high	96.5	Very high	113 Å²	113	65.1 Å²	65.1	60%	0.604	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-10.2	177.5	-59.2	-50.4	0	0	0	113.7	Q72	Q72-D74 VanDerWaalsContact C-N 3.32Å; Q72-D74 PolarHBondContact O-N 3.25Å
75	Q	95.3	Very high	96.6	Very high	116 Å²	116	65 Å²	65	54%	0.542	33%	0.327	S	S	.	.	S	Bend	trans	-69.9	142.6	178.5	-73.5	-72.8	-33.9	0	0	111.3	Q72 R127 V128	Q72-Q75 HydrophobicContact CB-CB 4.27Å; Q72-Q75 HydrophobicContact CB-CG 3.58Å; Q72-Q75 HydrophobicContact CG-CG 4.5Å; Q72-Q75 WeakPolarHBondContact O-CB 3.24Å; Q72-Q75 PolarHBondContact O-N 3.29Å; Q75-R127 WeakPolarHBondContact O-CA 3.45Å; Q75-V128 PolarHBondContact O-N 3.32Å
76	P	96.1	Very high	96.6	Very high	64 Å²	64	64.7 Å²	64.7	42%	0.416	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	146.7	166.9	32.1	-34	0	0	0	110.7	R125 I126	P76-R125 HydrophobicContact CB-CB 4.36Å; P76-I126 CarbonylContact C-O 3.58Å; P76-I126 WeakPolarHBondContact CA-O 3.26Å
77	M	97.1	Very high	96.7	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.005	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	121.5	-179.7	-171.1	178.3	179.1	0	0	107.5	L70 Q81 I82 C85 R125 I126 V128 F131	L70-M77 HydrophobicContact CD1-CE 3.37Å; L70-M77 HydrophobicContact CD1-SD 4.09Å; L70-M77 HydrophobicContact CD2-CE 3.77Å; L70-M77 HydrophobicContact CD2-CG 4.44Å; L70-M77 HydrophobicContact CD2-SD 3.95Å; L70-M77 HydrophobicContact CG-CE 4.24Å; M77-Q81 HydrophobicContact CE-CB 4.09Å; M77-Q81 WeakPolarHBondContact CE-O 3.24Å; M77-Q81 HydrophobicContact CG-CB 3.65Å; M77-I82 HydrophobicContact CE-CG1 4.31Å; M77-I82 HydrophobicContact CG-CG1 4.04Å; M77-I82 HydrophobicContact SD-CG1 4.24Å; M77-C85 HydrophobicContact CE-CB 3.93Å; M77-R125 WeakPolarHBondContact O-CA 3.46Å; M77-I126 WeakPolarHBondContact CB-O 3.31Å; M77-I126 PolarHBondContact N-O 2.76Å; M77-I126 PolarHBondContact O-N 3.37Å; M77-V128 HydrophobicContact CB-CG2 4.12Å; M77-V128 HydrophobicContact SD-CG2 4.35Å; M77-F131 HydrophobicContact CE-CD1 4.18Å; M77-F131 HydrophobicContact CE-CE1 4.19Å; M77-F131 HydrophobicContact CE-CG 4.42Å; M77-F131 HydrophobicContact CE-CZ 4.43Å; M77-F131 HydrophobicContact SD-CB 4.09Å; M77-F131 HydrophobicContact SD-CD1 4.01Å; M77-F131 HydrophobicContact SD-CD2 4.43Å; M77-F131 HydrophobicContact SD-CG 3.92Å
78	D	97.1	Very high	96.7	Very high	59 Å²	59	58 Å²	58	32%	0.316	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	168.6	-176.9	75.9	35.2	0	0	0	113.7	L80 Q81 I82 G124 R125	D78-L80 PolarHBondContact O-N 2.97Å; D78-L80 VanDerWaalsContact O-N 3.16Å; D78-L80 WeakPolarHBondContact OD1-CA 3.32Å; D78-L80 WeakPolarHBondContact OD1-CB 3.47Å; D78-L80 PolarHBondContact OD1-N 3.21Å; D78-Q81 PolarHBondContact O-N 3.49Å; D78-Q81 VanDerWaalsContact O-N 3.1Å; D78-Q81 PolarHBondContact OD1-N 3.04Å; D78-I82 VanDerWaalsContact O-CG1 3.28Å; D78-I82 WeakPolarHBondContact O-CG1 3.35Å; D78-I82 PolarHBondContact O-N 3.47Å; D78-G124 WeakPolarHBondContact CA-O 3.31Å; D78-R125 HydrophobicContact CB-CG 4.26Å
79	I	96.8	Very high	96.8	Very high	30 Å²	30	55.5 Å²	55.5	15%	0.154	29%	0.285	C	S	.	.	H	α-helix	trans	-50.6	-39.5	-179.9	-57.5	-177	0	0	0	112.7	I82 I83 L111 G124	I79-I82 PolarHBondContact O-N 2.9Å; I79-I83 HydrophobicContact CG2-CD1 3.82Å; I79-I83 HydrophobicContact CG2-CG1 4.41Å; I79-I83 WeakPolarHBondContact O-CB 3.46Å; I79-I83 VanDerWaalsContact O-CG1 3.27Å; I79-I83 WeakPolarHBondContact O-CG1 3.17Å; I79-I83 PolarHBondContact O-N 3.26Å; I79-L111 HydrophobicContact CG2-CD1 4.25Å; I79-L111 HydrophobicContact CG2-CD2 4.09Å; I79-G124 WeakPolarHBondContact CG1-O 3.17Å; I79-G124 PolarHBondContact N-O 3.28Å
80	L	97.3	Very high	96.9	Very high	107 Å²	107	49.9 Å²	49.9	56%	0.56	26%	0.256	S	S	*	.	H	α-helix	trans	-73.4	-39.6	-178.1	179.7	60.4	0	0	0	111	D78 I82 I83 N84	D78-L80 PolarHBondContact O-N 2.97Å; D78-L80 VanDerWaalsContact O-N 3.16Å; D78-L80 WeakPolarHBondContact OD1-CA 3.32Å; D78-L80 WeakPolarHBondContact OD1-CB 3.47Å; D78-L80 PolarHBondContact OD1-N 3.21Å; L80-I82 VanDerWaalsContact C-N 3.33Å; L80-I83 PolarHBondContact O-N 3.08Å; L80-N84 WeakPolarHBondContact O-CB 3.17Å; L80-N84 PolarHBondContact O-N 3.42Å; L80-N84 PolarHBondContact O-ND2 3.12Å; L80-N84 PolarHBondContact O-OD1 2.84Å
81	Q	97.9	Very high	97	Very high	81 Å²	81	52.3 Å²	52.3	38%	0.379	27%	0.268	S	S	.	.	H	α-helix	trans	-62.3	-41	172.2	-63.4	176.5	-70	0	0	111.8	M77 D78 C85	M77-Q81 HydrophobicContact CE-CB 4.09Å; M77-Q81 WeakPolarHBondContact CE-O 3.24Å; M77-Q81 HydrophobicContact CG-CB 3.65Å; D78-Q81 PolarHBondContact O-N 3.49Å; D78-Q81 VanDerWaalsContact O-N 3.1Å; D78-Q81 PolarHBondContact OD1-N 3.04Å; Q81-C85 WeakPolarHBondContact O-CB 3.38Å; Q81-C85 PolarHBondContact O-N 3.44Å
82	I	98.4	Very high	97.3	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62.8	-50.5	176.1	-60	161.4	0	0	0	110.1	M77 D78 I79 L80 N84 C85 L86 L111 L114 L115 I126 F131	M77-I82 HydrophobicContact CE-CG1 4.31Å; M77-I82 HydrophobicContact CG-CG1 4.04Å; M77-I82 HydrophobicContact SD-CG1 4.24Å; D78-I82 VanDerWaalsContact O-CG1 3.28Å; D78-I82 WeakPolarHBondContact O-CG1 3.35Å; D78-I82 PolarHBondContact O-N 3.47Å; I79-I82 PolarHBondContact O-N 2.9Å; L80-I82 VanDerWaalsContact C-N 3.33Å; I82-N84 PolarHBondContact O-N 3.18Å; I82-C85 PolarHBondContact O-N 2.92Å; I82-L86 HydrophobicContact CG2-CD1 3.78Å; I82-L86 HydrophobicContact CG2-CG 4.21Å; I82-L86 WeakPolarHBondContact O-CB 3.39Å; I82-L86 VanDerWaalsContact O-CG 3.28Å; I82-L86 WeakPolarHBondContact O-CG 3.29Å; I82-L86 PolarHBondContact O-N 3Å; I82-L111 HydrophobicContact CB-CD1 3.92Å; I82-L111 HydrophobicContact CD1-CD1 4.27Å; I82-L111 HydrophobicContact CG2-CD1 3.5Å; I82-L114 HydrophobicContact CG2-CD1 4.09Å; I82-L115 HydrophobicContact CD1-CD2 4.39Å; I82-I126 HydrophobicContact CD1-CD1 3.71Å; I82-I126 HydrophobicContact CD1-CG1 3.82Å; I82-I126 HydrophobicContact CG1-CD1 4.13Å; I82-I126 HydrophobicContact CG1-CG1 4.35Å; I82-F131 HydrophobicContact CG2-CD2 4.28Å; I82-F131 HydrophobicContact CG2-CE2 3.97Å
83	I	98.4	Very high	97.4	Very high	42 Å²	42	44.3 Å²	44.3	22%	0.215	23%	0.229	C	C	.	.	H	α-helix	trans	-55.1	-52.6	176.4	-74	169.1	0	0	0	110.5	I79 L80 C85 L86 T87 V107 L111	I79-I83 HydrophobicContact CG2-CD1 3.82Å; I79-I83 HydrophobicContact CG2-CG1 4.41Å; I79-I83 WeakPolarHBondContact O-CB 3.46Å; I79-I83 VanDerWaalsContact O-CG1 3.27Å; I79-I83 WeakPolarHBondContact O-CG1 3.17Å; I79-I83 PolarHBondContact O-N 3.26Å; L80-I83 PolarHBondContact O-N 3.08Å; I83-C85 VanDerWaalsContact C-N 3.31Å; I83-C85 PolarHBondContact O-N 3.1Å; I83-L86 PolarHBondContact O-N 3.47Å; I83-L86 VanDerWaalsContact O-N 3.13Å; I83-T87 WeakPolarHBondContact O-CB 3.47Å; I83-T87 PolarHBondContact O-N 3.2Å; I83-T87 PolarHBondContact O-OG1 2.72Å; I83-T87 VanDerWaalsContact O-OG1 3.04Å; I83-V107 HydrophobicContact CG1-CG1 4.32Å; I83-V107 HydrophobicContact CG2-CG1 4.19Å; I83-L111 HydrophobicContact CD1-CD2 3.99Å; I83-L111 HydrophobicContact CG1-CD2 3.85Å
84	N	98.4	Very high	97.4	Very high	71 Å²	71	47.2 Å²	47.2	38%	0.38	24%	0.242	S	C	.	.	H	α-helix	trans	-59	-41	-177.4	-69.2	-14.4	0	0	0	112.6	H68 L80 I82 T88	H68-N84 PolarHBondContact CE1-O 3.19Å; H68-N84 PolarHBondContact NE2-O 2.91Å; L80-N84 WeakPolarHBondContact O-CB 3.17Å; L80-N84 PolarHBondContact O-N 3.42Å; L80-N84 PolarHBondContact O-ND2 3.12Å; L80-N84 PolarHBondContact O-OD1 2.84Å; I82-N84 PolarHBondContact O-N 3.18Å; N84-T88 PolarHBondContact O-N 3.36Å; N84-T88 PolarHBondContact O-OG1 2.98Å
85	C	98.7	Very high	97.4	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-71.3	-37.3	177.1	-168.3	0	0	0	0	112.7	H68 L70 M77 Q81 I82 I83 I89 F131	H68-C85 HydrophobicContact CB-CB 4.48Å; L70-C85 HydrophobicContact CD1-CB 4.1Å; M77-C85 HydrophobicContact CE-CB 3.93Å; Q81-C85 WeakPolarHBondContact O-CB 3.38Å; Q81-C85 PolarHBondContact O-N 3.44Å; I82-C85 PolarHBondContact O-N 2.92Å; I83-C85 VanDerWaalsContact C-N 3.31Å; I83-C85 PolarHBondContact O-N 3.1Å; C85-I89 WeakPolarHBondContact O-CG1 3.47Å; C85-I89 PolarHBondContact O-N 2.93Å; C85-I89 VanDerWaalsContact O-N 3.16Å; C85-F131 HydrophobicContact CB-CE1 4.24Å; C85-F131 HydrophobicContact CB-CZ 4.02Å
86	L	98.8	Very high	97.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-67.3	-41	174.7	-70.9	176.9	0	0	0	111.7	I82 I83 I89 Y90 V107 C110 L111 L114 F131 I135	I82-L86 HydrophobicContact CG2-CD1 3.78Å; I82-L86 HydrophobicContact CG2-CG 4.21Å; I82-L86 WeakPolarHBondContact O-CB 3.39Å; I82-L86 VanDerWaalsContact O-CG 3.28Å; I82-L86 WeakPolarHBondContact O-CG 3.29Å; I82-L86 PolarHBondContact O-N 3Å; I83-L86 PolarHBondContact O-N 3.47Å; I83-L86 VanDerWaalsContact O-N 3.13Å; L86-I89 WeakPolarHBondContact O-CB 3Å; L86-I89 PolarHBondContact O-N 3.15Å; L86-I89 VanDerWaalsContact O-N 3.14Å; L86-Y90 HydrophobicContact CB-CD2 4.3Å; L86-Y90 HydrophobicContact CB-CE2 4.29Å; L86-Y90 HydrophobicContact CD2-CE2 4.17Å; L86-Y90 WeakPolarHBondContact O-CD2 3.21Å; L86-Y90 PolarHBondContact O-N 3.1Å; L86-V107 HydrophobicContact CB-CB 4.49Å; L86-V107 HydrophobicContact CB-CG1 4.21Å; L86-V107 HydrophobicContact CB-CG2 4.11Å; L86-C110 HydrophobicContact CD1-CB 4.14Å; L86-C110 HydrophobicContact CD2-CB 4.24Å; L86-L111 HydrophobicContact CD1-CB 4Å; L86-L114 HydrophobicContact CD1-CD1 4.22Å; L86-L114 HydrophobicContact CD2-CD1 4.29Å; L86-F131 HydrophobicContact CD2-CE2 4.05Å; L86-F131 HydrophobicContact CD2-CZ 4.2Å; L86-F131 HydrophobicContact CG-CE2 4.25Å; L86-F131 HydrophobicContact CG-CZ 4.48Å; L86-I135 HydrophobicContact CD2-CD1 3.92Å
87	T	98.5	Very high	97.2	Very high	43 Å²	43	46.6 Å²	46.6	26%	0.264	23%	0.23	S	C	.	.	H	α-helix	trans	-58.7	-50.1	175.8	-60.9	0	0	0	0	110.3	I83 I89 Y90 D91 V103	I83-T87 WeakPolarHBondContact O-CB 3.47Å; I83-T87 PolarHBondContact O-N 3.2Å; I83-T87 PolarHBondContact O-OG1 2.72Å; I83-T87 VanDerWaalsContact O-OG1 3.04Å; T87-I89 PolarHBondContact O-N 2.95Å; T87-Y90 PolarHBondContact O-N 3.25Å; T87-Y90 VanDerWaalsContact O-N 3.09Å; T87-D91 WeakPolarHBondContact CG2-OD2 3.23Å; T87-D91 WeakPolarHBondContact O-CB 3.23Å; T87-D91 PolarHBondContact O-N 3.4Å; T87-V103 HydrophobicContact CG2-CG1 4.47Å
88	T	98.5	Very high	96.5	Very high	32 Å²	32	52.2 Å²	52.2	20%	0.196	26%	0.26	C	S	.	.	H	α-helix	trans	-58.6	-33.2	175.1	-58.7	0	0	0	0	113.7	A64 H68 N84	A64-T88 HydrophobicContact CB-CG2 4.07Å; H68-T88 PolarHBondContact NE2-OG1 3.28Å; N84-T88 PolarHBondContact O-N 3.36Å; N84-T88 PolarHBondContact O-OG1 2.98Å
89	I	98.6	Very high	96	Very high	4 Å²	4	57.4 Å²	57.4	2%	0.021	29%	0.288	C	S	.	.	H	α-helix	trans	-68.3	-49.9	173.3	-74.5	167.3	0	0	0	110.7	L56 A64 C85 L86 T87 R92 L93 I135	L56-I89 HydrophobicContact CD1-CG2 3.91Å; L56-I89 HydrophobicContact CD2-CG2 3.91Å; L56-I89 HydrophobicContact CG-CG2 4.5Å; A64-I89 HydrophobicContact CB-CD1 4.35Å; A64-I89 HydrophobicContact CB-CG1 3.65Å; C85-I89 WeakPolarHBondContact O-CG1 3.47Å; C85-I89 PolarHBondContact O-N 2.93Å; C85-I89 VanDerWaalsContact O-N 3.16Å; L86-I89 WeakPolarHBondContact O-CB 3Å; L86-I89 PolarHBondContact O-N 3.15Å; L86-I89 VanDerWaalsContact O-N 3.14Å; T87-I89 PolarHBondContact O-N 2.95Å; I89-R92 PolarHBondContact O-N 3.46Å; I89-L93 HydrophobicContact CG2-CD1 4.05Å; I89-L93 WeakPolarHBondContact O-CG 3.45Å; I89-L93 PolarHBondContact O-N 3.34Å; I89-L93 VanDerWaalsContact O-N 3.14Å; I89-I135 HydrophobicContact CD1-CG2 4.42Å
90	Y	98.4	Very high	95.6	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-78.5	-32.8	-173.3	-70.1	-60.3	0	0	0	113.9	L51 C52 L86 T87 R92 L93 E94 V101 C106 V107 C110	L51-Y90 VanDerWaalsContact O-CE1 3.29Å; L51-Y90 WeakPolarHBondContact O-CE1 3.42Å; L51-Y90 PolarHBondContact O-OH 2.92Å; C52-Y90 HydrophobicContact CB-CE1 4.39Å; L86-Y90 HydrophobicContact CB-CD2 4.3Å; L86-Y90 HydrophobicContact CB-CE2 4.29Å; L86-Y90 HydrophobicContact CD2-CE2 4.17Å; L86-Y90 WeakPolarHBondContact O-CD2 3.21Å; L86-Y90 PolarHBondContact O-N 3.1Å; T87-Y90 PolarHBondContact O-N 3.25Å; T87-Y90 VanDerWaalsContact O-N 3.09Å; Y90-R92 PolarHBondContact O-N 3.48Å; Y90-L93 HydrophobicContact CD1-CD1 3.91Å; Y90-L93 HydrophobicContact CE1-CD1 4.12Å; Y90-L93 CarbonylContact O-C 3.16Å; Y90-L93 PolarHBondContact O-N 3.47Å; Y90-L93 VanDerWaalsContact O-N 3.12Å; Y90-E94 PolarHBondContact O-N 3.47Å; Y90-V101 HydrophobicContact CD1-CG1 4.1Å; Y90-C106 HydrophobicContact CD1-CB 3.62Å; Y90-C106 HydrophobicContact CD2-CB 3.86Å; Y90-C106 HydrophobicContact CE1-CB 3.7Å; Y90-C106 VanDerWaalsContact CE2-C 3.48Å; Y90-C106 HydrophobicContact CE2-CB 3.9Å; Y90-C106 VanDerWaalsContact CE2-O 3.32Å; Y90-C106 WeakPolarHBondContact CE2-O 3.44Å; Y90-C106 HydrophobicContact CG-CB 3.73Å; Y90-V107 HydrophobicContact CD2-CG2 3.74Å; Y90-C110 HydrophobicContact CE2-CB 3.95Å; Y90-C110 VanDerWaalsContact OH-CB 3.27Å; Y90-C110 WeakPolarHBondContact OH-CB 3.47Å; Y90-C110 PolarHBondContact OH-SG 2.95Å; Y90-C110 VanDerWaalsContact OH-SG 3.39Å
91	D	97.6	Very high	95.5	Very high	62 Å²	62	57 Å²	57	33%	0.332	29%	0.286	S	S	.	.	H	α-helix	trans	-53.7	-43.9	170.2	-68.9	-26.6	0	0	0	110.7	T87 Q95	T87-D91 WeakPolarHBondContact CG2-OD2 3.23Å; T87-D91 WeakPolarHBondContact O-CB 3.23Å; T87-D91 PolarHBondContact O-N 3.4Å; D91-Q95 VanDerWaalsContact O-CG 3.28Å; D91-Q95 WeakPolarHBondContact O-CG 3.31Å; D91-Q95 PolarHBondContact O-N 3.21Å; D91-Q95 PolarHBondContact O-NE2 2.96Å
92	R	96.4	Very high	95.4	Very high	82 Å²	82	57.5 Å²	57.5	31%	0.309	29%	0.291	S	S	.	.	H	α-helix	trans	-70.3	-39.1	177.6	179.9	173.7	175.2	169.7	-0.8	112.1	D63 I89 Y90 E94 Q95 E96	D63-R92 IonicContact OD2-CZ 3.83Å; D63-R92 IonicContact OD2-NH1 3.56Å; D63-R92 PolarHBondContact OD2-NH1 3.02Å; D63-R92 IonicContact OD2-NH2 2.77Å; I89-R92 PolarHBondContact O-N 3.46Å; Y90-R92 PolarHBondContact O-N 3.48Å; R92-E94 VanDerWaalsContact C-N 3.34Å; R92-Q95 PolarHBondContact O-N 3.02Å; R92-E96 WeakPolarHBondContact CG-OE1 3.47Å; R92-E96 IonicContact CZ-OE1 2.73Å; R92-E96 IonicContact NE-OE1 3.15Å; R92-E96 PolarHBondContact NE-OE1 2.85Å; R92-E96 IonicContact NH2-OE1 2.72Å; R92-E96 WeakPolarHBondContact O-CG 3.38Å; R92-E96 PolarHBondContact O-N 2.83Å
93	L	97	Very high	95.3	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-69	-31.7	176.4	-67.4	175.2	0	0	0	112.5	L55 L56 I89 Y90 E96 H97 V101	L55-L93 HydrophobicContact CB-CD2 4.04Å; L55-L93 WeakPolarHBondContact O-CD2 3.47Å; L56-L93 HydrophobicContact CB-CD1 4.21Å; L56-L93 HydrophobicContact CD1-CD1 4.4Å; I89-L93 HydrophobicContact CG2-CD1 4.05Å; I89-L93 WeakPolarHBondContact O-CG 3.45Å; I89-L93 PolarHBondContact O-N 3.34Å; I89-L93 VanDerWaalsContact O-N 3.14Å; Y90-L93 HydrophobicContact CD1-CD1 3.91Å; Y90-L93 HydrophobicContact CE1-CD1 4.12Å; Y90-L93 CarbonylContact O-C 3.16Å; Y90-L93 PolarHBondContact O-N 3.47Å; Y90-L93 VanDerWaalsContact O-N 3.12Å; L93-E96 PolarHBondContact O-N 3.27Å; L93-H97 WeakPolarHBondContact O-CA 3.12Å; L93-H97 VanDerWaalsContact O-CB 3.28Å; L93-H97 WeakPolarHBondContact O-CB 3.4Å; L93-H97 PolarHBondContact O-N 3.03Å; L93-V101 HydrophobicContact CB-CG2 3.96Å
94	E	96.6	Very high	95.2	Very high	85 Å²	85	60.5 Å²	60.5	40%	0.397	31%	0.313	S	S	.	.	H	α-helix	trans	-63.9	-44.5	171.1	-172	179.6	-106.9	0	0	110.9	Y90 R92 H97 N98 V101 V103	Y90-E94 PolarHBondContact O-N 3.47Å; R92-E94 VanDerWaalsContact C-N 3.34Å; E94-H97 CarbonylContact O-C 3.29Å; E94-H97 VanDerWaalsContact O-C 3.29Å; E94-H97 PolarHBondContact O-N 2.9Å; E94-N98 PolarHBondContact O-N 2.77Å; E94-N98 VanDerWaalsContact O-N 3.1Å; E94-N98 PolarHBondContact O-OD1 3.31Å; E94-V101 HydrophobicContact CB-CB 4.24Å; E94-V101 HydrophobicContact CB-CG1 4.4Å; E94-V103 HydrophobicContact CB-CG2 3.87Å; E94-V103 HydrophobicContact CG-CG2 4.38Å
95	Q	94.6	Very high	95.1	Very high	147 Å²	147	59 Å²	59	69%	0.687	31%	0.305	S	S	*	.	H	α-helix	trans	-65.3	-35.2	175.5	-68	164.3	39.4	0	0	113.7	D91 R92	D91-Q95 VanDerWaalsContact O-CG 3.28Å; D91-Q95 WeakPolarHBondContact O-CG 3.31Å; D91-Q95 PolarHBondContact O-N 3.21Å; D91-Q95 PolarHBondContact O-NE2 2.96Å; R92-Q95 PolarHBondContact O-N 3.02Å
96	E	93.5	Very high	95.1	Very high	80 Å²	80	59.3 Å²	59.3	37%	0.374	31%	0.307	S	S	.	.	H	α-helix	trans	-78.8	-24.2	175.2	-71	179.8	-156.1	0	0	112.2	R92 L93	R92-E96 WeakPolarHBondContact CG-OE1 3.47Å; R92-E96 IonicContact CZ-OE1 2.73Å; R92-E96 IonicContact NE-OE1 3.15Å; R92-E96 PolarHBondContact NE-OE1 2.85Å; R92-E96 IonicContact NH2-OE1 2.72Å; R92-E96 WeakPolarHBondContact O-CG 3.38Å; R92-E96 PolarHBondContact O-N 2.83Å; L93-E96 PolarHBondContact O-N 3.27Å
97	H	91.9	Very high	95.1	Very high	52 Å²	52	59.6 Å²	59.6	24%	0.241	31%	0.309	C	S	.	.	S	Bend	trans	-144.2	62.4	-169.4	-61	-54	0	0	0	113.8	L55 L93 E94 N99 L100	L55-H97 HydrophobicContact CD1-CB 4.17Å; L93-H97 WeakPolarHBondContact O-CA 3.12Å; L93-H97 VanDerWaalsContact O-CB 3.28Å; L93-H97 WeakPolarHBondContact O-CB 3.4Å; L93-H97 PolarHBondContact O-N 3.03Å; E94-H97 CarbonylContact O-C 3.29Å; E94-H97 VanDerWaalsContact O-C 3.29Å; E94-H97 PolarHBondContact O-N 2.9Å; H97-N99 PolarHBondContact O-N 3.04Å; H97-L100 HydrophobicContact CB-CB 4.34Å; H97-L100 HydrophobicContact CB-CD1 4.32Å; H97-L100 PolarHBondContact O-N 3.17Å; H97-L100 VanDerWaalsContact O-N 3.11Å
98	N	83.8	Confident	95	Very high	119 Å²	119	59.4 Å²	59.4	64%	0.636	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-39.4	133.9	176.8	-65.9	1.6	0	0	0	113.7	E94 L100	E94-N98 PolarHBondContact O-N 2.77Å; E94-N98 VanDerWaalsContact O-N 3.1Å; E94-N98 PolarHBondContact O-OD1 3.31Å; N98-L100 PolarHBondContact O-N 2.98Å; N98-L100 VanDerWaalsContact O-N 3.11Å
99	N	84.9	Confident	95	Very high	169 Å²	169	58.4 Å²	58.4	90%	0.904	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	-4.7	179.6	-51.9	-44.8	0	0	0	116.9	H97	H97-N99 PolarHBondContact O-N 3.04Å
100	L	89.4	Confident	95	Very high	119 Å²	119	58.2 Å²	58.2	62%	0.623	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-23.8	175.2	-65	-178.8	0	0	0	113.5	L55 H97 N98	L55-L100 HydrophobicContact CD1-CB 4.47Å; H97-L100 HydrophobicContact CB-CB 4.34Å; H97-L100 HydrophobicContact CB-CD1 4.32Å; H97-L100 PolarHBondContact O-N 3.17Å; H97-L100 VanDerWaalsContact O-N 3.11Å; N98-L100 PolarHBondContact O-N 2.98Å; N98-L100 VanDerWaalsContact O-N 3.11Å
101	V	95.3	Very high	95	Very high	9 Å²	9	58.4 Å²	58.4	6%	0.055	30%	0.3	C	S	.	.			trans	-111.1	135.3	-178.2	-177.3	0	0	0	0	109	C52 L55 Y90 L93 E94 V103 C106	C52-V101 HydrophobicContact CB-CG2 4.44Å; L55-V101 HydrophobicContact CD1-CG2 4.09Å; Y90-V101 HydrophobicContact CD1-CG1 4.1Å; L93-V101 HydrophobicContact CB-CG2 3.96Å; E94-V101 HydrophobicContact CB-CB 4.24Å; E94-V101 HydrophobicContact CB-CG1 4.4Å; V101-V103 HydrophobicContact CG1-CG2 4.32Å; V101-C106 HydrophobicContact CG1-CB 4.5Å
102	N	95.8	Very high	95	Very high	91 Å²	91	56 Å²	56	49%	0.487	29%	0.287	S	S	.	.			trans	-115.7	98	168.6	179.5	-76.5	0	0	0	107.1	L105 C106	N102-L105 HydrophobicContact CB-CB 4.19Å; N102-L105 PolarHBondContact O-N 2.74Å; N102-L105 VanDerWaalsContact O-N 3.14Å; N102-L105 WeakPolarHBondContact OD1-CB 3.45Å; N102-L105 PolarHBondContact OD1-N 3.17Å; N102-C106 WeakPolarHBondContact O-CB 3.45Å; N102-C106 PolarHBondContact O-N 2.89Å; N102-C106 PolarHBondContact O-SG 3Å
103	V	96.4	Very high	95	Very high	14 Å²	14	52.2 Å²	52.2	9%	0.085	27%	0.273	C	S	.	.	H	α-helix	trans	-52.1	-50.8	-167	177.5	0	0	0	0	113.3	T87 E94 V101 L105 C106 V107	T87-V103 HydrophobicContact CG2-CG1 4.47Å; E94-V103 HydrophobicContact CB-CG2 3.87Å; E94-V103 HydrophobicContact CG-CG2 4.38Å; V101-V103 HydrophobicContact CG1-CG2 4.32Å; V103-L105 PolarHBondContact O-N 3.17Å; V103-C106 PolarHBondContact O-N 3.4Å; V103-V107 HydrophobicContact CG1-CG2 4.17Å; V103-V107 WeakPolarHBondContact O-CB 3.03Å; V103-V107 VanDerWaalsContact O-CG2 3.25Å; V103-V107 WeakPolarHBondContact O-CG2 3.5Å; V103-V107 PolarHBondContact O-N 2.96Å
104	P	96.9	Very high	95.1	Very high	91 Å²	91	52.2 Å²	52.2	59%	0.591	27%	0.273	S	S	*	.	H	α-helix	trans	-59.9	-42.9	-179.5	-24	35.3	0	0	0	113.3	D108	P104-D108 WeakPolarHBondContact O-CB 3.39Å; P104-D108 PolarHBondContact O-N 3.45Å; P104-D108 VanDerWaalsContact O-N 3.07Å
105	L	95.9	Very high	95.2	Very high	39 Å²	39	49.1 Å²	49.1	20%	0.204	26%	0.259	C	S	.	.	H	α-helix	trans	-68.9	-42	179.3	178.8	61.9	0	0	0	112.1	H17 K19 N102 V103 D108 M109	H17-L105 WeakPolarHBondContact CE1-CD1 3.29Å; K19-L105 HydrophobicContact CD-CD1 3.98Å; K19-L105 HydrophobicContact CD-CD2 3.86Å; N102-L105 HydrophobicContact CB-CB 4.19Å; N102-L105 PolarHBondContact O-N 2.74Å; N102-L105 VanDerWaalsContact O-N 3.14Å; N102-L105 WeakPolarHBondContact OD1-CB 3.45Å; N102-L105 PolarHBondContact OD1-N 3.17Å; V103-L105 PolarHBondContact O-N 3.17Å; L105-D108 PolarHBondContact O-N 2.96Å; L105-M109 HydrophobicContact CD1-CG 3.8Å; L105-M109 HydrophobicContact CD1-SD 3.67Å; L105-M109 HydrophobicContact CD2-SD 4.38Å; L105-M109 HydrophobicContact CG-CG 4.29Å; L105-M109 HydrophobicContact CG-SD 3.87Å; L105-M109 WeakPolarHBondContact O-CB 3.44Å; L105-M109 WeakPolarHBondContact O-CG 3.42Å; L105-M109 PolarHBondContact O-N 2.8Å
106	C	97.8	Very high	95.3	Very high	7 Å²	7	42.6 Å²	42.6	5%	0.047	23%	0.228	C	C	.	.	H	α-helix	trans	-66.5	-39.8	179.7	-66.4	0	0	0	0	111.6	Y90 V101 N102 V103 C110	Y90-C106 HydrophobicContact CD1-CB 3.62Å; Y90-C106 HydrophobicContact CD2-CB 3.86Å; Y90-C106 HydrophobicContact CE1-CB 3.7Å; Y90-C106 VanDerWaalsContact CE2-C 3.48Å; Y90-C106 HydrophobicContact CE2-CB 3.9Å; Y90-C106 VanDerWaalsContact CE2-O 3.32Å; Y90-C106 WeakPolarHBondContact CE2-O 3.44Å; Y90-C106 HydrophobicContact CG-CB 3.73Å; V101-C106 HydrophobicContact CG1-CB 4.5Å; N102-C106 WeakPolarHBondContact O-CB 3.45Å; N102-C106 PolarHBondContact O-N 2.89Å; N102-C106 PolarHBondContact O-SG 3Å; V103-C106 PolarHBondContact O-N 3.4Å; C106-C110 WeakPolarHBondContact O-CB 3.39Å; C106-C110 PolarHBondContact O-N 3.43Å
107	V	98.4	Very high	95.5	Very high	6 Å²	6	39 Å²	39	4%	0.036	21%	0.212	C	C	.	.	H	α-helix	trans	-59.4	-49.8	171.2	171.5	0	0	0	0	110.6	I83 L86 Y90 V103 C110 L111	I83-V107 HydrophobicContact CG1-CG1 4.32Å; I83-V107 HydrophobicContact CG2-CG1 4.19Å; L86-V107 HydrophobicContact CB-CB 4.49Å; L86-V107 HydrophobicContact CB-CG1 4.21Å; L86-V107 HydrophobicContact CB-CG2 4.11Å; Y90-V107 HydrophobicContact CD2-CG2 3.74Å; V103-V107 HydrophobicContact CG1-CG2 4.17Å; V103-V107 WeakPolarHBondContact O-CB 3.03Å; V103-V107 VanDerWaalsContact O-CG2 3.25Å; V103-V107 WeakPolarHBondContact O-CG2 3.5Å; V103-V107 PolarHBondContact O-N 2.96Å; V107-C110 PolarHBondContact O-N 3.41Å; V107-L111 WeakPolarHBondContact O-CB 3.47Å; V107-L111 PolarHBondContact O-N 3.16Å
108	D	97.1	Very high	95.8	Very high	40 Å²	40	38.1 Å²	38.1	21%	0.214	21%	0.207	C	C	.	.	H	α-helix	trans	-67.3	-43.6	-176.8	-83.9	2.6	0	0	0	113.6	R2 P104 L105 N112	R2-D108 IonicContact CZ-OD1 3.69Å; R2-D108 VanDerWaalsContact CZ-OD1 3.24Å; R2-D108 IonicContact CZ-OD2 3.08Å; R2-D108 IonicContact NH1-OD1 2.72Å; R2-D108 PolarHBondContact NH1-OD1 3.27Å; R2-D108 IonicContact NH1-OD2 2.74Å; R2-D108 IonicContact NH2-OD1 2.86Å; R2-D108 PolarHBondContact NH2-OD1 2.89Å; R2-D108 IonicContact NH2-OD2 3.06Å; R2-D108 PolarHBondContact NH2-OD2 3.34Å; P104-D108 WeakPolarHBondContact O-CB 3.39Å; P104-D108 PolarHBondContact O-N 3.45Å; P104-D108 VanDerWaalsContact O-N 3.07Å; L105-D108 PolarHBondContact O-N 2.96Å; D108-N112 VanDerWaalsContact O-CB 3.31Å; D108-N112 WeakPolarHBondContact O-CB 3.39Å; D108-N112 PolarHBondContact O-N 3.35Å
109	M	97.9	Very high	96.4	Very high	10 Å²	10	32.8 Å²	32.8	5%	0.049	18%	0.178	C	C	.	.	H	α-helix	trans	-66.9	-40.3	176.9	-70.5	-174.3	62.8	0	0	111.6	K19 M20 L23 A50 L51 L105 N112 W113	K19-M109 HydrophobicContact CB-CE 4.05Å; K19-M109 HydrophobicContact CB-SD 3.79Å; K19-M109 HydrophobicContact CD-SD 4.45Å; M20-M109 HydrophobicContact CG-CB 4.04Å; M20-M109 HydrophobicContact CG-CE 4.09Å; M20-M109 HydrophobicContact CG-CG 3.97Å; M20-M109 HydrophobicContact SD-CB 3.8Å; M20-M109 HydrophobicContact SD-CE 3.52Å; M20-M109 VanDerWaalsContact SD-CE 3.52Å; M20-M109 HydrophobicContact SD-CG 4.17Å; L23-M109 HydrophobicContact CD2-CE 4.18Å; A50-M109 HydrophobicContact CB-CE 4.38Å; L51-M109 HydrophobicContact CD2-CB 3.6Å; L105-M109 HydrophobicContact CD1-CG 3.8Å; L105-M109 HydrophobicContact CD1-SD 3.67Å; L105-M109 HydrophobicContact CD2-SD 4.38Å; L105-M109 HydrophobicContact CG-CG 4.29Å; L105-M109 HydrophobicContact CG-SD 3.87Å; L105-M109 WeakPolarHBondContact O-CB 3.44Å; L105-M109 WeakPolarHBondContact O-CG 3.42Å; L105-M109 PolarHBondContact O-N 2.8Å; M109-N112 PolarHBondContact O-N 3.35Å; M109-W113 WeakPolarHBondContact O-CB 3.37Å; M109-W113 PolarHBondContact O-N 3.06Å
110	C	98.5	Very high	96.7	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-73.1	-39.2	179.9	-167.3	0	0	0	0	112.1	L51 L86 Y90 C106 V107 W113 L114	L51-C110 HydrophobicContact CD2-CB 4.17Å; L86-C110 HydrophobicContact CD1-CB 4.14Å; L86-C110 HydrophobicContact CD2-CB 4.24Å; Y90-C110 HydrophobicContact CE2-CB 3.95Å; Y90-C110 VanDerWaalsContact OH-CB 3.27Å; Y90-C110 WeakPolarHBondContact OH-CB 3.47Å; Y90-C110 PolarHBondContact OH-SG 2.95Å; Y90-C110 VanDerWaalsContact OH-SG 3.39Å; C106-C110 WeakPolarHBondContact O-CB 3.39Å; C106-C110 PolarHBondContact O-N 3.43Å; V107-C110 PolarHBondContact O-N 3.41Å; C110-W113 PolarHBondContact O-N 3.49Å; C110-L114 WeakPolarHBondContact O-CB 3.38Å; C110-L114 VanDerWaalsContact O-CG 3.3Å; C110-L114 WeakPolarHBondContact O-CG 3.33Å; C110-L114 PolarHBondContact O-N 3.32Å
111	L	98.3	Very high	96.7	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.021	16%	0.162	C	C	.	.	H	α-helix	trans	-57.8	-49.9	169.8	174.2	70.5	0	0	0	110.8	I79 I82 I83 L86 V107 W113 L114 L115	I79-L111 HydrophobicContact CG2-CD1 4.25Å; I79-L111 HydrophobicContact CG2-CD2 4.09Å; I82-L111 HydrophobicContact CB-CD1 3.92Å; I82-L111 HydrophobicContact CD1-CD1 4.27Å; I82-L111 HydrophobicContact CG2-CD1 3.5Å; I83-L111 HydrophobicContact CD1-CD2 3.99Å; I83-L111 HydrophobicContact CG1-CD2 3.85Å; L86-L111 HydrophobicContact CD1-CB 4Å; V107-L111 WeakPolarHBondContact O-CB 3.47Å; V107-L111 PolarHBondContact O-N 3.16Å; L111-W113 VanDerWaalsContact C-N 3.31Å; L111-W113 PolarHBondContact O-N 3.42Å; L111-L114 PolarHBondContact O-N 2.92Å; L111-L115 HydrophobicContact CD1-CD1 3.95Å; L111-L115 HydrophobicContact CD1-CG 4.13Å; L111-L115 HydrophobicContact CG-CD1 3.98Å; L111-L115 HydrophobicContact CG-CG 4.44Å; L111-L115 WeakPolarHBondContact O-CG 3.35Å; L111-L115 PolarHBondContact O-N 3.23Å
112	N	97.5	Very high	96.6	Very high	12 Å²	12	29 Å²	29	6%	0.064	17%	0.171	C	C	.	.	H	α-helix	trans	-62.8	-38.9	179.7	-176	44.4	0	0	0	111.8	D16 H17 M20 D108 M109 N116	D16-N112 PolarHBondContact OD1-ND2 2.79Å; D16-N112 PolarHBondContact OD1-OD1 2.78Å; H17-N112 PolarHBondContact N-ND2 2.93Å; M20-N112 WeakPolarHBondContact CB-ND2 3.24Å; M20-N112 HydrophobicContact CG-CB 4.38Å; M20-N112 WeakPolarHBondContact CG-ND2 3.35Å; D108-N112 VanDerWaalsContact O-CB 3.31Å; D108-N112 WeakPolarHBondContact O-CB 3.39Å; D108-N112 PolarHBondContact O-N 3.35Å; M109-N112 PolarHBondContact O-N 3.35Å; N112-N116 VanDerWaalsContact O-CB 3.27Å; N112-N116 WeakPolarHBondContact O-CB 3.31Å; N112-N116 PolarHBondContact O-N 3.11Å; N112-N116 PolarHBondContact O-ND2 3.24Å; N112-N116 PolarHBondContact OD1-ND2 2.99Å
113	W	98.5	Very high	96.5	Very high	3 Å²	3	29.6 Å²	29.6	1%	0.011	18%	0.178	C	C	.	.	H	α-helix	trans	-61.3	-48	172.1	173.3	60.3	0	0	0	112.4	M20 L47 L51 L53 M109 C110 L111 L115 N116 V117 L138 I176	M20-W113 HydrophobicContact CE-CB 3.89Å; L47-W113 HydrophobicContact CD1-CG 4.39Å; L47-W113 HydrophobicContact CD2-CD2 4.49Å; L47-W113 HydrophobicContact CD2-CG 4.39Å; L51-W113 HydrophobicContact CD1-CB 3.97Å; L51-W113 HydrophobicContact CD1-CD2 3.82Å; L51-W113 HydrophobicContact CD1-CE3 3.66Å; L51-W113 HydrophobicContact CD1-CG 3.94Å; L51-W113 HydrophobicContact CD1-CZ3 4.47Å; L53-W113 HydrophobicContact CD1-CZ3 4.2Å; M109-W113 WeakPolarHBondContact O-CB 3.37Å; M109-W113 PolarHBondContact O-N 3.06Å; C110-W113 PolarHBondContact O-N 3.49Å; L111-W113 VanDerWaalsContact C-N 3.31Å; L111-W113 PolarHBondContact O-N 3.42Å; W113-L115 PolarHBondContact O-N 2.99Å; W113-N116 WeakPolarHBondContact O-CB 3.47Å; W113-N116 PolarHBondContact O-N 3.2Å; W113-V117 HydrophobicContact CD2-CG2 4.46Å; W113-V117 HydrophobicContact CZ2-CG2 4.16Å; W113-V117 VanDerWaalsContact NE1-CG2 3.26Å; W113-V117 WeakPolarHBondContact O-CG2 3.46Å; W113-V117 PolarHBondContact O-N 2.88Å; W113-L138 HydrophobicContact CH2-CD1 3.4Å; W113-L138 HydrophobicContact CH2-CG 3.91Å; W113-L138 HydrophobicContact CZ2-CD1 3.56Å; W113-L138 HydrophobicContact CZ2-CG 4.31Å; W113-L138 HydrophobicContact CZ3-CD1 3.94Å; W113-I176 HydrophobicContact CZ2-CG1 4.41Å
114	L	98.5	Very high	96.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62.5	-41.5	179.5	-74	163.2	0	0	0	112.7	I82 L86 C110 L111 V117 Y118 I126 F131 I135	I82-L114 HydrophobicContact CG2-CD1 4.09Å; L86-L114 HydrophobicContact CD1-CD1 4.22Å; L86-L114 HydrophobicContact CD2-CD1 4.29Å; C110-L114 WeakPolarHBondContact O-CB 3.38Å; C110-L114 VanDerWaalsContact O-CG 3.3Å; C110-L114 WeakPolarHBondContact O-CG 3.33Å; C110-L114 PolarHBondContact O-N 3.32Å; L111-L114 PolarHBondContact O-N 2.92Å; L114-V117 PolarHBondContact O-N 2.75Å; L114-Y118 HydrophobicContact CD2-CD2 4.24Å; L114-Y118 HydrophobicContact CD2-CE2 4.13Å; L114-Y118 WeakPolarHBondContact O-CB 3.42Å; L114-Y118 PolarHBondContact O-N 3.22Å; L114-I126 HydrophobicContact CB-CD1 4.39Å; L114-F131 HydrophobicContact CD1-CD2 3.68Å; L114-F131 HydrophobicContact CD1-CE2 3.6Å; L114-F131 HydrophobicContact CD2-CD2 4.34Å; L114-I135 HydrophobicContact CD1-CD1 4.3Å
115	L	97.6	Very high	96.1	Very high	19 Å²	19	32.5 Å²	32.5	10%	0.099	18%	0.18	C	C	.	.	H	α-helix	trans	-68.9	-34.4	175.3	-65.4	176.2	0	0	0	111.7	I82 L111 W113 D119 R122 I126	I82-L115 HydrophobicContact CD1-CD2 4.39Å; L111-L115 HydrophobicContact CD1-CD1 3.95Å; L111-L115 HydrophobicContact CD1-CG 4.13Å; L111-L115 HydrophobicContact CG-CD1 3.98Å; L111-L115 HydrophobicContact CG-CG 4.44Å; L111-L115 WeakPolarHBondContact O-CG 3.35Å; L111-L115 PolarHBondContact O-N 3.23Å; W113-L115 PolarHBondContact O-N 2.99Å; L115-D119 HydrophobicContact CB-CB 4.43Å; L115-D119 HydrophobicContact CD2-CB 3.82Å; L115-D119 CarbonylContact O-C 3.56Å; L115-D119 VanDerWaalsContact O-CA 3.26Å; L115-D119 WeakPolarHBondContact O-CA 3.43Å; L115-D119 PolarHBondContact O-N 3.44Å; L115-D119 VanDerWaalsContact O-O 3.1Å; L115-R122 PolarHBondContact O-NH1 2.89Å; L115-I126 HydrophobicContact CD2-CG2 4.31Å
116	N	97.2	Very high	96.2	Very high	10 Å²	10	31 Å²	31	5%	0.053	17%	0.172	C	C	.	.	H	α-helix	trans	-63	-44.8	171.1	-88.1	-41.4	0	0	0	112.6	D16 N112 W113 T120 R122 Q179	D16-N116 PolarHBondContact OD1-ND2 3.15Å; N112-N116 VanDerWaalsContact O-CB 3.27Å; N112-N116 WeakPolarHBondContact O-CB 3.31Å; N112-N116 PolarHBondContact O-N 3.11Å; N112-N116 PolarHBondContact O-ND2 3.24Å; N112-N116 PolarHBondContact OD1-ND2 2.99Å; W113-N116 WeakPolarHBondContact O-CB 3.47Å; W113-N116 PolarHBondContact O-N 3.2Å; N116-T120 WeakPolarHBondContact O-CG2 3.38Å; N116-R122 PolarHBondContact OD1-NH2 2.96Å; N116-Q179 HydrophobicContact CB-CG 4.1Å; N116-Q179 PolarHBondContact O-OE1 3.43Å
117	V	98.1	Very high	96.2	Very high	5 Å²	5	33.9 Å²	33.9	3%	0.03	18%	0.182	C	C	.	.	H	α-helix	trans	-72.2	-38.6	-179.4	178.8	0	0	0	0	112.7	W113 L114 Q175 I176 Q179	W113-V117 HydrophobicContact CD2-CG2 4.46Å; W113-V117 HydrophobicContact CZ2-CG2 4.16Å; W113-V117 VanDerWaalsContact NE1-CG2 3.26Å; W113-V117 WeakPolarHBondContact O-CG2 3.46Å; W113-V117 PolarHBondContact O-N 2.88Å; L114-V117 PolarHBondContact O-N 2.75Å; V117-Q175 HydrophobicContact CG1-CB 3.5Å; V117-I176 HydrophobicContact CG1-CG1 4.11Å; V117-Q179 HydrophobicContact CG2-CB 3.84Å; V117-Q179 HydrophobicContact CG2-CG 3.89Å
118	Y	98.3	Very high	96.2	Very high	33 Å²	33	33.8 Å²	33.8	13%	0.129	18%	0.182	C	C	.	.	H	α-helix	trans	-125.4	-5.4	-165.2	-57.9	-68.9	0	0	0	116	L114 S130 G134 D172 Q175	L114-Y118 HydrophobicContact CD2-CD2 4.24Å; L114-Y118 HydrophobicContact CD2-CE2 4.13Å; L114-Y118 WeakPolarHBondContact O-CB 3.42Å; L114-Y118 PolarHBondContact O-N 3.22Å; Y118-S130 WeakPolarHBondContact CE2-O 3.47Å; Y118-S130 VanDerWaalsContact CZ-O 3.28Å; Y118-S130 PolarHBondContact OH-O 3.06Å; Y118-G134 PolarHBondContact OH-N 3.4Å; Y118-D172 HydrophobicContact CE1-CB 4.23Å; Y118-D172 WeakPolarHBondContact CE1-O 3.32Å; Y118-D172 PolarHBondContact OH-O 2.88Å; Y118-Q175 HydrophobicContact CD1-CB 4.19Å; Y118-Q175 HydrophobicContact CD1-CG 4.15Å; Y118-Q175 HydrophobicContact CE1-CB 3.98Å; Y118-Q175 HydrophobicContact CE1-CG 4.13Å
119	D	96.8	Very high	96.3	Very high	8 Å²	8	32 Å²	32	4%	0.043	17%	0.172	C	C	.	.			trans	-138.2	55.8	177.2	-173.5	31.4	0	0	0	111	L115 G121 R122 T123 G124 I126	L115-D119 HydrophobicContact CB-CB 4.43Å; L115-D119 HydrophobicContact CD2-CB 3.82Å; L115-D119 CarbonylContact O-C 3.56Å; L115-D119 VanDerWaalsContact O-CA 3.26Å; L115-D119 WeakPolarHBondContact O-CA 3.43Å; L115-D119 PolarHBondContact O-N 3.44Å; L115-D119 VanDerWaalsContact O-O 3.1Å; D119-G121 PolarHBondContact O-N 3.39Å; D119-R122 PolarHBondContact O-N 2.79Å; D119-R122 PolarHBondContact O-NH1 2.86Å; D119-R122 PolarHBondContact OD1-N 3.45Å; D119-R122 WeakPolarHBondContact OD2-CA 3.47Å; D119-T123 VanDerWaalsContact CG-N 3.33Å; D119-T123 WeakPolarHBondContact OD1-CB 3.42Å; D119-T123 PolarHBondContact OD1-N 2.75Å; D119-T123 PolarHBondContact OD1-OG1 3.04Å; D119-T123 PolarHBondContact OD2-N 3.16Å; D119-T123 VanDerWaalsContact OD2-N 3.11Å; D119-G124 WeakPolarHBondContact OD2-CA 3.38Å; D119-G124 PolarHBondContact OD2-N 3.28Å; D119-I126 HydrophobicContact CB-CG2 3.88Å
120	T	90.7	Very high	96.4	Very high	90 Å²	90	31.7 Å²	31.7	55%	0.552	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-33.4	177.4	53.2	0	0	0	0	112.1	N116 R122	N116-T120 WeakPolarHBondContact O-CG2 3.38Å; T120-R122 PolarHBondContact O-N 3.39Å
121	G	90.2	Very high	96.4	Very high	61 Å²	61	31.7 Å²	31.7	63%	0.629	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.3	0.2	174.5	0	0	0	0	0	115.5	D119 T123	D119-G121 PolarHBondContact O-N 3.39Å; G121-T123 PolarHBondContact O-N 3.36Å
122	R	92	Very high	96.4	Very high	66 Å²	66	31.9 Å²	31.9	25%	0.249	17%	0.172	C	C	.	.			trans	53.3	36.4	177.8	-56.1	-60.3	-173.4	-116.2	3.8	114.3	W15 L115 N116 D119 T120 G124	W15-R122 HydrophobicContact CD2-CG 4.36Å; L115-R122 PolarHBondContact O-NH1 2.89Å; N116-R122 PolarHBondContact OD1-NH2 2.96Å; D119-R122 PolarHBondContact O-N 2.79Å; D119-R122 PolarHBondContact O-NH1 2.86Å; D119-R122 PolarHBondContact OD1-N 3.45Å; D119-R122 WeakPolarHBondContact OD2-CA 3.47Å; T120-R122 PolarHBondContact O-N 3.39Å; R122-G124 PolarHBondContact O-N 2.98Å
123	T	93.9	Very high	96.4	Very high	104 Å²	104	31.3 Å²	31.3	64%	0.638	17%	0.169	S	C	*	.			trans	-64.4	-19.6	175.1	68.7	0	0	0	0	113	D119 G121 R125	D119-T123 VanDerWaalsContact CG-N 3.33Å; D119-T123 WeakPolarHBondContact OD1-CB 3.42Å; D119-T123 PolarHBondContact OD1-N 2.75Å; D119-T123 PolarHBondContact OD1-OG1 3.04Å; D119-T123 PolarHBondContact OD2-N 3.16Å; D119-T123 VanDerWaalsContact OD2-N 3.11Å; G121-T123 PolarHBondContact O-N 3.36Å; T123-R125 PolarHBondContact OG1-N 2.69Å; T123-R125 PolarHBondContact OG1-O 2.78Å
124	G	90.5	Very high	96.5	Very high	13 Å²	13	31.2 Å²	31.2	13%	0.134	17%	0.168	C	C	.	.	S	Bend	trans	79.8	19.7	-176.1	0	0	0	0	0	113.9	D78 I79 D119 R122	D78-G124 WeakPolarHBondContact CA-O 3.31Å; I79-G124 WeakPolarHBondContact CG1-O 3.17Å; I79-G124 PolarHBondContact N-O 3.28Å; D119-G124 WeakPolarHBondContact OD2-CA 3.38Å; D119-G124 PolarHBondContact OD2-N 3.28Å; R122-G124 PolarHBondContact O-N 2.98Å
125	R	95.3	Very high	96.5	Very high	152 Å²	152	31.2 Å²	31.2	57%	0.574	17%	0.168	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-144.3	141.7	-178.6	-66.6	178.8	174.6	167.2	-0.6	111.8	P76 M77 D78 T123	P76-R125 HydrophobicContact CB-CB 4.36Å; M77-R125 WeakPolarHBondContact O-CA 3.46Å; D78-R125 HydrophobicContact CB-CG 4.26Å; T123-R125 PolarHBondContact OG1-N 2.69Å; T123-R125 PolarHBondContact OG1-O 2.78Å
126	I	97.8	Very high	96.5	Very high	7 Å²	7	30.3 Å²	30.3	4%	0.036	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	160.1	169.7	67.9	-175.1	0	0	0	109.5	P76 M77 I82 L114 L115 D119 F131	P76-I126 CarbonylContact C-O 3.58Å; P76-I126 WeakPolarHBondContact CA-O 3.26Å; M77-I126 WeakPolarHBondContact CB-O 3.31Å; M77-I126 PolarHBondContact N-O 2.76Å; M77-I126 PolarHBondContact O-N 3.37Å; I82-I126 HydrophobicContact CD1-CD1 3.71Å; I82-I126 HydrophobicContact CD1-CG1 3.82Å; I82-I126 HydrophobicContact CG1-CD1 4.13Å; I82-I126 HydrophobicContact CG1-CG1 4.35Å; L114-I126 HydrophobicContact CB-CD1 4.39Å; L115-I126 HydrophobicContact CD2-CG2 4.31Å; D119-I126 HydrophobicContact CB-CG2 3.88Å; I126-F131 HydrophobicContact CD1-CB 3.89Å; I126-F131 HydrophobicContact CD1-CD2 4.13Å; I126-F131 HydrophobicContact CG1-CB 4.43Å
127	R	98	Very high	96.6	Very high	68 Å²	68	29.8 Å²	29.8	26%	0.257	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	148.8	172.6	-72.4	178.9	-69.9	104.7	12.6	110.7	Q75 L129 S130 F131 D172	Q75-R127 WeakPolarHBondContact O-CA 3.45Å; R127-L129 PolarHBondContact O-N 3.27Å; R127-S130 PolarHBondContact NH2-OG 3.25Å; R127-S130 VanDerWaalsContact O-CB 3.32Å; R127-S130 WeakPolarHBondContact O-CB 3.48Å; R127-S130 PolarHBondContact O-N 2.86Å; R127-F131 PolarHBondContact O-N 3.28Å; R127-D172 IonicContact CZ-OD1 2.72Å; R127-D172 IonicContact CZ-OD2 2.68Å; R127-D172 VanDerWaalsContact CZ-OD2 3.3Å; R127-D172 IonicContact NH1-OD1 3.64Å; R127-D172 IonicContact NH1-OD2 2.8Å; R127-D172 PolarHBondContact NH1-OD2 2.92Å; R127-D172 IonicContact NH2-OD1 3.77Å; R127-D172 PolarHBondContact NH2-OD1 3.11Å; R127-D172 IonicContact NH2-OD2 3.83Å; R127-D172 PolarHBondContact NH2-OD2 3.16Å
128	V	98.6	Very high	96.6	Very high	5 Å²	5	29.6 Å²	29.6	3%	0.03	16%	0.159	C	C	.	.	H	α-helix	trans	-57.6	-34.7	172.6	169.6	0	0	0	0	111.5	L70 Q72 Q75 M77 K132	L70-V128 HydrophobicContact CB-CG1 4.03Å; L70-V128 HydrophobicContact CD2-CG2 4.28Å; Q72-V128 WeakPolarHBondContact O-CB 3.37Å; Q75-V128 PolarHBondContact O-N 3.32Å; M77-V128 HydrophobicContact CB-CG2 4.12Å; M77-V128 HydrophobicContact SD-CG2 4.35Å; V128-K132 HydrophobicContact CG1-CD 4.24Å; V128-K132 WeakPolarHBondContact O-CG 3.4Å; V128-K132 PolarHBondContact O-N 3.2Å; V128-K132 VanDerWaalsContact O-N 3.09Å
129	L	98.6	Very high	96.6	Very high	2 Å²	2	28 Å²	28	1%	0.01	15%	0.153	C	C	.	.	H	α-helix	trans	-59.2	-46.9	171.5	-172.6	59.1	0	0	0	111.9	N73 R127 K132 T133 Q153 V154 L168 D172	N73-L129 HydrophobicContact CB-CB 4.14Å; N73-L129 HydrophobicContact CB-CD1 4.47Å; N73-L129 WeakPolarHBondContact O-CB 3.48Å; N73-L129 PolarHBondContact O-N 2.92Å; R127-L129 PolarHBondContact O-N 3.27Å; L129-K132 PolarHBondContact O-N 2.87Å; L129-T133 WeakPolarHBondContact O-CB 3.49Å; L129-T133 PolarHBondContact O-N 3.38Å; L129-T133 PolarHBondContact O-OG1 3.21Å; L129-Q153 HydrophobicContact CD1-CB 3.54Å; L129-Q153 HydrophobicContact CD1-CG 4.42Å; L129-V154 HydrophobicContact CD1-CG1 3.98Å; L129-V154 HydrophobicContact CD2-CG1 3.71Å; L129-L168 HydrophobicContact CD2-CB 4Å; L129-D172 WeakPolarHBondContact CD2-OD2 3.49Å; L129-D172 WeakPolarHBondContact CG-OD2 3.38Å
130	S	98.6	Very high	96.6	Very high	4 Å²	4	32.2 Å²	32.2	3%	0.028	17%	0.171	C	C	.	.	H	α-helix	trans	-61.8	-46.2	179.6	-51.6	0	0	0	0	112	Y118 R127 K132 T133 G134 D172	Y118-S130 WeakPolarHBondContact CE2-O 3.47Å; Y118-S130 VanDerWaalsContact CZ-O 3.28Å; Y118-S130 PolarHBondContact OH-O 3.06Å; R127-S130 PolarHBondContact NH2-OG 3.25Å; R127-S130 VanDerWaalsContact O-CB 3.32Å; R127-S130 WeakPolarHBondContact O-CB 3.48Å; R127-S130 PolarHBondContact O-N 2.86Å; S130-K132 PolarHBondContact O-N 3.29Å; S130-T133 PolarHBondContact O-N 3.26Å; S130-G134 PolarHBondContact O-N 3.02Å; S130-D172 WeakPolarHBondContact CB-OD1 3.34Å; S130-D172 PolarHBondContact OG-OD1 3.4Å
131	F	98.8	Very high	96.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-55.7	-50	174.9	-179.1	-107.5	0	0	0	111.6	L65 L70 M77 I82 C85 L86 L114 I126 R127 G134 I135	L65-F131 HydrophobicContact CD2-CD1 3.78Å; L65-F131 HydrophobicContact CD2-CE1 3.64Å; L70-F131 HydrophobicContact CD1-CD1 4.42Å; L70-F131 HydrophobicContact CD1-CE1 4.24Å; M77-F131 HydrophobicContact CE-CD1 4.18Å; M77-F131 HydrophobicContact CE-CE1 4.19Å; M77-F131 HydrophobicContact CE-CG 4.42Å; M77-F131 HydrophobicContact CE-CZ 4.43Å; M77-F131 HydrophobicContact SD-CB 4.09Å; M77-F131 HydrophobicContact SD-CD1 4.01Å; M77-F131 HydrophobicContact SD-CD2 4.43Å; M77-F131 HydrophobicContact SD-CG 3.92Å; I82-F131 HydrophobicContact CG2-CD2 4.28Å; I82-F131 HydrophobicContact CG2-CE2 3.97Å; C85-F131 HydrophobicContact CB-CE1 4.24Å; C85-F131 HydrophobicContact CB-CZ 4.02Å; L86-F131 HydrophobicContact CD2-CE2 4.05Å; L86-F131 HydrophobicContact CD2-CZ 4.2Å; L86-F131 HydrophobicContact CG-CE2 4.25Å; L86-F131 HydrophobicContact CG-CZ 4.48Å; L114-F131 HydrophobicContact CD1-CD2 3.68Å; L114-F131 HydrophobicContact CD1-CE2 3.6Å; L114-F131 HydrophobicContact CD2-CD2 4.34Å; I126-F131 HydrophobicContact CD1-CB 3.89Å; I126-F131 HydrophobicContact CD1-CD2 4.13Å; I126-F131 HydrophobicContact CG1-CB 4.43Å; R127-F131 PolarHBondContact O-N 3.28Å; F131-G134 PolarHBondContact O-N 2.93Å; F131-I135 HydrophobicContact CD2-CG1 4.32Å; F131-I135 HydrophobicContact CE1-CG1 4.34Å; F131-I135 HydrophobicContact CE2-CD1 4.42Å; F131-I135 HydrophobicContact CE2-CG1 3.97Å; F131-I135 HydrophobicContact CZ-CG1 3.98Å; F131-I135 WeakPolarHBondContact O-CG1 3.34Å; F131-I135 PolarHBondContact O-N 3.3Å
132	K	98.8	Very high	97	Very high	8 Å²	8	32.5 Å²	32.5	4%	0.035	15%	0.152	C	C	.	.	H	α-helix	trans	-61.1	-44.3	176	-73.8	175.9	176	177.5	0	112.5	L65 L70 N73 V128 L129 S130 G134 I135 I136 Y149 Q153	L65-K132 HydrophobicContact CD1-CG 4.04Å; L65-K132 HydrophobicContact CD2-CG 3.89Å; L70-K132 WeakPolarHBondContact O-CE 3.43Å; L70-K132 PolarHBondContact O-NZ 3.04Å; N73-K132 PolarHBondContact OD1-NZ 3.49Å; V128-K132 HydrophobicContact CG1-CD 4.24Å; V128-K132 WeakPolarHBondContact O-CG 3.4Å; V128-K132 PolarHBondContact O-N 3.2Å; V128-K132 VanDerWaalsContact O-N 3.09Å; L129-K132 PolarHBondContact O-N 2.87Å; S130-K132 PolarHBondContact O-N 3.29Å; K132-G134 VanDerWaalsContact C-N 3.34Å; K132-G134 PolarHBondContact O-N 3.02Å; K132-I135 PolarHBondContact O-N 2.92Å; K132-I136 VanDerWaalsContact O-CB 3.28Å; K132-I136 WeakPolarHBondContact O-CB 3.48Å; K132-I136 WeakPolarHBondContact O-CG1 3.44Å; K132-I136 PolarHBondContact O-N 3.4Å; K132-Y149 HydrophobicContact CB-CE1 4.41Å; K132-Y149 HydrophobicContact CD-CE1 4.39Å; K132-Q153 HydrophobicContact CD-CG 4.1Å
133	T	98.8	Very high	97.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-62.5	-41.4	-179.4	-62	0	0	0	0	111.6	L129 S130 S137 D172	L129-T133 WeakPolarHBondContact O-CB 3.49Å; L129-T133 PolarHBondContact O-N 3.38Å; L129-T133 PolarHBondContact O-OG1 3.21Å; S130-T133 PolarHBondContact O-N 3.26Å; T133-S137 WeakPolarHBondContact O-CB 3.49Å; T133-S137 PolarHBondContact O-N 2.87Å; T133-S137 VanDerWaalsContact O-N 3.15Å; T133-S137 PolarHBondContact O-OG 3.32Å; T133-D172 HydrophobicContact CG2-CB 3.91Å
134	G	98.6	Very high	97.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-60.8	-61.3	172.1	0	0	0	0	0	112.6	Y118 S130 F131 K132 I136 S137 L138	Y118-G134 PolarHBondContact OH-N 3.4Å; S130-G134 PolarHBondContact O-N 3.02Å; F131-G134 PolarHBondContact O-N 2.93Å; K132-G134 VanDerWaalsContact C-N 3.34Å; K132-G134 PolarHBondContact O-N 3.02Å; G134-I136 PolarHBondContact O-N 2.93Å; G134-S137 PolarHBondContact O-N 3.18Å; G134-L138 PolarHBondContact O-N 3.11Å
135	I	98.8	Very high	97.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.9	-44	-173.3	-64.3	-63.7	0	0	0	112.2	L53 L56 A61 L86 I89 L114 F131 K132 L138 C139	L53-I135 HydrophobicContact CD1-CD1 4.48Å; L53-I135 HydrophobicContact CD2-CD1 4.23Å; L56-I135 HydrophobicContact CD2-CG2 3.59Å; A61-I135 HydrophobicContact CB-CG2 4.46Å; L86-I135 HydrophobicContact CD2-CD1 3.92Å; I89-I135 HydrophobicContact CD1-CG2 4.42Å; L114-I135 HydrophobicContact CD1-CD1 4.3Å; F131-I135 HydrophobicContact CD2-CG1 4.32Å; F131-I135 HydrophobicContact CE1-CG1 4.34Å; F131-I135 HydrophobicContact CE2-CD1 4.42Å; F131-I135 HydrophobicContact CE2-CG1 3.97Å; F131-I135 HydrophobicContact CZ-CG1 3.98Å; F131-I135 WeakPolarHBondContact O-CG1 3.34Å; F131-I135 PolarHBondContact O-N 3.3Å; K132-I135 PolarHBondContact O-N 2.92Å; I135-L138 PolarHBondContact O-N 2.78Å; I135-C139 PolarHBondContact O-N 3.37Å
136	I	98.8	Very high	97.7	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-77.3	-30	-177.2	-57.8	-54.7	0	0	0	112.4	L58 A61 K132 G134 L138 C139 K146 Y149 L150	L58-I136 HydrophobicContact CD1-CD1 3.76Å; L58-I136 HydrophobicContact CD1-CG2 4.11Å; A61-I136 HydrophobicContact CB-CD1 3.52Å; K132-I136 VanDerWaalsContact O-CB 3.28Å; K132-I136 WeakPolarHBondContact O-CB 3.48Å; K132-I136 WeakPolarHBondContact O-CG1 3.44Å; K132-I136 PolarHBondContact O-N 3.4Å; G134-I136 PolarHBondContact O-N 2.93Å; I136-L138 VanDerWaalsContact C-N 3.27Å; I136-L138 PolarHBondContact O-N 2.74Å; I136-C139 PolarHBondContact O-SG 2.91Å; I136-K146 HydrophobicContact CG2-CB 4.37Å; I136-K146 HydrophobicContact CG2-CG 4.2Å; I136-K146 VanDerWaalsContact O-CD 3.25Å; I136-K146 WeakPolarHBondContact O-CD 3.48Å; I136-K146 WeakPolarHBondContact O-CE 3.35Å; I136-K146 WeakPolarHBondContact O-CG 3.43Å; I136-Y149 HydrophobicContact CB-CD1 4.22Å; I136-Y149 HydrophobicContact CB-CE1 4.49Å; I136-Y149 HydrophobicContact CG1-CD1 3.85Å; I136-Y149 HydrophobicContact CG1-CE1 3.7Å; I136-Y149 HydrophobicContact CG2-CD1 3.84Å; I136-Y149 HydrophobicContact CG2-CG 4.26Å; I136-L150 HydrophobicContact CB-CD2 4.29Å; I136-L150 HydrophobicContact CG2-CD2 4.42Å; I136-L150 HydrophobicContact CG2-CG 4.34Å
137	S	98.7	Very high	97.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-61.8	-37.7	172.3	-65.4	0	0	0	0	111.8	T133 G134 K146 L227	T133-S137 WeakPolarHBondContact O-CB 3.49Å; T133-S137 PolarHBondContact O-N 2.87Å; T133-S137 VanDerWaalsContact O-N 3.15Å; T133-S137 PolarHBondContact O-OG 3.32Å; G134-S137 PolarHBondContact O-N 3.18Å; S137-K146 PolarHBondContact O-NZ 3.38Å; S137-L227 WeakPolarHBondContact O-CD1 3.42Å
138	L	98.6	Very high	97.8	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-96.4	-0.6	-177.8	-61.7	-167.8	0	0	0	115.4	L47 Q48 L53 W113 G134 I135 I136 L230	L47-L138 HydrophobicContact CD2-CD1 4.32Å; Q48-L138 HydrophobicContact CG-CB 4.36Å; Q48-L138 WeakPolarHBondContact CG-O 3.33Å; Q48-L138 PolarHBondContact NE2-O 2.88Å; L53-L138 CarbonylContact C-O 3.54Å; L53-L138 HydrophobicContact CB-CB 4.08Å; L53-L138 WeakPolarHBondContact CB-O 3.02Å; L53-L138 HydrophobicContact CD1-CB 3.75Å; L53-L138 HydrophobicContact CD1-CD1 4.1Å; W113-L138 HydrophobicContact CH2-CD1 3.4Å; W113-L138 HydrophobicContact CH2-CG 3.91Å; W113-L138 HydrophobicContact CZ2-CD1 3.56Å; W113-L138 HydrophobicContact CZ2-CG 4.31Å; W113-L138 HydrophobicContact CZ3-CD1 3.94Å; G134-L138 PolarHBondContact O-N 3.11Å; I135-L138 PolarHBondContact O-N 2.78Å; I136-L138 VanDerWaalsContact C-N 3.27Å; I136-L138 PolarHBondContact O-N 2.74Å; L138-L230 HydrophobicContact CD2-CD2 3.73Å
139	C	98.4	Very high	97.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	-69.4	172.2	177.6	81.9	0	0	0	0	113.5	L53 L56 I135 I136 A141 K146	L53-C139 CarbonylContact O-C 3.59Å; L53-C139 VanDerWaalsContact O-CA 3.31Å; L53-C139 WeakPolarHBondContact O-CA 3.5Å; L56-C139 HydrophobicContact CB-CB 4.28Å; L56-C139 HydrophobicContact CD2-CB 4.46Å; L56-C139 HydrophobicContact CG-CB 4.25Å; L56-C139 WeakPolarHBondContact O-CB 3.45Å; I135-C139 PolarHBondContact O-N 3.37Å; I136-C139 PolarHBondContact O-SG 2.91Å; C139-A141 VanDerWaalsContact C-N 3.33Å; C139-A141 PolarHBondContact O-N 3.43Å; C139-A141 VanDerWaalsContact SG-CB 3.59Å; C139-K146 WeakPolarHBondContact O-CE 3.33Å; C139-K146 PolarHBondContact O-NZ 3.24Å; C139-K146 VanDerWaalsContact SG-CE 3.58Å
140	K	96.1	Very high	97.8	Very high	96 Å²	96	28.8 Å²	28.8	42%	0.417	13%	0.132	S	C	.	.	S	Bend	trans	-83.8	5.1	-178.6	90	-172.9	168.4	-161.3	0	115.9	L53 D54 L55 L56	L53-K140 PolarHBondContact O-N 2.95Å; D54-K140 WeakPolarHBondContact O-CB 3.38Å; D54-K140 WeakPolarHBondContact O-CD 3.39Å; L55-K140 WeakPolarHBondContact O-CD 3.41Å; L55-K140 WeakPolarHBondContact O-CE 3.46Å; L55-K140 PolarHBondContact O-NZ 3.41Å; L56-K140 WeakPolarHBondContact O-CG 3.48Å; L56-K140 PolarHBondContact O-N 3.24Å
141	A	96.5	Very high	97.8	Very high	14 Å²	14	28.8 Å²	28.8	12%	0.116	13%	0.132	C	C	.	.	S	Bend	trans	-72.1	161.4	-177.4	0	0	0	0	0	113.8	L58 C139 K146 H231	L58-A141 HydrophobicContact CB-CB 3.63Å; C139-A141 VanDerWaalsContact C-N 3.33Å; C139-A141 PolarHBondContact O-N 3.43Å; C139-A141 VanDerWaalsContact SG-CB 3.59Å; A141-K146 HydrophobicContact CB-CG 4.32Å; A141-K146 WeakPolarHBondContact O-CE 3.44Å; A141-H231 VanDerWaalsContact C-CE1 3.44Å; A141-H231 PolarHBondContact O-CE1 3.17Å
142	H	93.9	Very high	97.7	Very high	144 Å²	144	36.6 Å²	36.6	67%	0.667	17%	0.166	S	C	*	.			trans	-63.2	151.3	175.9	-59.6	-68.8	0	0	0	111.9	E144 D145 K146 H231	H142-E144 VanDerWaalsContact C-N 3.34Å; H142-E144 PolarHBondContact O-N 3.39Å; H142-D145 WeakPolarHBondContact CB-OD2 3.43Å; H142-D145 IonicContact CD2-OD2 3.75Å; H142-D145 IonicContact CG-OD2 3.93Å; H142-D145 PolarHBondContact O-N 3.18Å; H142-D145 VanDerWaalsContact O-N 3.17Å; H142-K146 PolarHBondContact O-N 2.94Å; H142-K146 VanDerWaalsContact O-N 3.1Å; H142-H231 PolarHBondContact O-CE1 3.12Å
143	L	93.7	Very high	97.7	Very high	46 Å²	46	37.5 Å²	37.5	24%	0.241	17%	0.17	C	C	.	.	H	α-helix	trans	-57.7	-43.9	-176	-173.6	69.6	0	0	0	112.8	D145 K146 Y147 L227 P228 H231	L143-D145 VanDerWaalsContact C-N 3.34Å; L143-D145 PolarHBondContact O-N 3.13Å; L143-K146 PolarHBondContact O-N 3.25Å; L143-Y147 HydrophobicContact CD1-CD1 4.49Å; L143-Y147 HydrophobicContact CD1-CE1 3.71Å; L143-Y147 HydrophobicContact CD1-CE2 4.22Å; L143-Y147 HydrophobicContact CD2-CE2 3.94Å; L143-Y147 HydrophobicContact CG-CD2 4.31Å; L143-Y147 HydrophobicContact CG-CE1 4.08Å; L143-Y147 HydrophobicContact CG-CE2 3.69Å; L143-Y147 VanDerWaalsContact O-CG 3.31Å; L143-Y147 PolarHBondContact O-N 3.1Å; L143-L227 HydrophobicContact CD1-CG 3.95Å; L143-P228 HydrophobicContact CD2-CB 3.8Å; L143-H231 WeakPolarHBondContact CA-CE1 3.42Å; L143-H231 PolarHBondContact N-CE1 3.47Å
144	E	95.6	Very high	97.6	Very high	65 Å²	65	37.8 Å²	37.8	30%	0.304	17%	0.172	S	C	.	.	H	α-helix	trans	-66.9	-35.7	179.7	-157.6	177.4	109.6	0	0	112	H142 Y147 R148 L214 R218	H142-E144 VanDerWaalsContact C-N 3.34Å; H142-E144 PolarHBondContact O-N 3.39Å; E144-Y147 PolarHBondContact O-N 3.45Å; E144-R148 WeakPolarHBondContact O-CB 3.45Å; E144-R148 VanDerWaalsContact O-CG 3.23Å; E144-R148 WeakPolarHBondContact O-CG 3.28Å; E144-R148 PolarHBondContact O-N 2.95Å; E144-R148 IonicContact OE1-CZ 3.71Å; E144-R148 IonicContact OE1-NE 2.99Å; E144-R148 PolarHBondContact OE1-NE 3.11Å; E144-R148 IonicContact OE1-NH2 2.78Å; E144-R148 PolarHBondContact OE1-NH2 3.24Å; E144-L214 HydrophobicContact CG-CD1 3.83Å; E144-L214 HydrophobicContact CG-CD2 3.7Å; E144-L214 HydrophobicContact CG-CG 4.34Å; E144-R218 IonicContact OE2-CZ 3.7Å; E144-R218 IonicContact OE2-NE 2.75Å; E144-R218 IonicContact OE2-NH2 3.21Å; E144-R218 PolarHBondContact OE2-NH2 3.21Å
145	D	97.8	Very high	97.6	Very high	65 Å²	65	38.5 Å²	38.5	35%	0.348	18%	0.178	S	C	.	.	H	α-helix	trans	-66.3	-41.2	176.9	-60.7	-31.6	0	0	0	111.5	L58 H142 L143 R148 Y149	L58-D145 HydrophobicContact CD2-CB 3.88Å; H142-D145 WeakPolarHBondContact CB-OD2 3.43Å; H142-D145 IonicContact CD2-OD2 3.75Å; H142-D145 IonicContact CG-OD2 3.93Å; H142-D145 PolarHBondContact O-N 3.18Å; H142-D145 VanDerWaalsContact O-N 3.17Å; L143-D145 VanDerWaalsContact C-N 3.34Å; L143-D145 PolarHBondContact O-N 3.13Å; D145-R148 PolarHBondContact O-N 3.02Å; D145-Y149 WeakPolarHBondContact O-CB 3.21Å; D145-Y149 PolarHBondContact O-N 3.43Å
146	K	98.5	Very high	97.4	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.009	19%	0.186	C	C	.	.	H	α-helix	trans	-59.2	-50.2	172.5	-68.2	179.8	176.8	-177.1	0	110.9	I136 S137 C139 A141 H142 L143 R148 Y149 L150 H231	I136-K146 HydrophobicContact CG2-CB 4.37Å; I136-K146 HydrophobicContact CG2-CG 4.2Å; I136-K146 VanDerWaalsContact O-CD 3.25Å; I136-K146 WeakPolarHBondContact O-CD 3.48Å; I136-K146 WeakPolarHBondContact O-CE 3.35Å; I136-K146 WeakPolarHBondContact O-CG 3.43Å; S137-K146 PolarHBondContact O-NZ 3.38Å; C139-K146 WeakPolarHBondContact O-CE 3.33Å; C139-K146 PolarHBondContact O-NZ 3.24Å; C139-K146 VanDerWaalsContact SG-CE 3.58Å; A141-K146 HydrophobicContact CB-CG 4.32Å; A141-K146 WeakPolarHBondContact O-CE 3.44Å; H142-K146 PolarHBondContact O-N 2.94Å; H142-K146 VanDerWaalsContact O-N 3.1Å; L143-K146 PolarHBondContact O-N 3.25Å; K146-R148 PolarHBondContact O-N 3.21Å; K146-Y149 PolarHBondContact O-N 3.12Å; K146-L150 WeakPolarHBondContact O-CB 3.4Å; K146-L150 VanDerWaalsContact O-CG 3.22Å; K146-L150 WeakPolarHBondContact O-CG 3.4Å; K146-L150 PolarHBondContact O-N 3.14Å; K146-H231 WeakPolarHBondContact CD-CE1 3.45Å; K146-H231 WeakPolarHBondContact CD-NE2 3.42Å; K146-H231 WeakPolarHBondContact CE-CE1 3.18Å; K146-H231 WeakPolarHBondContact CE-NE2 3.27Å; K146-H231 PolarHBondContact NZ-NE2 3.36Å
147	Y	98.4	Very high	97.1	Very high	12 Å²	12	46.1 Å²	46.1	5%	0.047	23%	0.231	C	C	.	.	H	α-helix	trans	-59.8	-44.5	178.2	-65.5	-16.5	0	0	0	112.1	L143 E144 L150 F151 L214 M217 L227 P228	L143-Y147 HydrophobicContact CD1-CD1 4.49Å; L143-Y147 HydrophobicContact CD1-CE1 3.71Å; L143-Y147 HydrophobicContact CD1-CE2 4.22Å; L143-Y147 HydrophobicContact CD2-CE2 3.94Å; L143-Y147 HydrophobicContact CG-CD2 4.31Å; L143-Y147 HydrophobicContact CG-CE1 4.08Å; L143-Y147 HydrophobicContact CG-CE2 3.69Å; L143-Y147 VanDerWaalsContact O-CG 3.31Å; L143-Y147 PolarHBondContact O-N 3.1Å; E144-Y147 PolarHBondContact O-N 3.45Å; Y147-L150 PolarHBondContact O-N 2.69Å; Y147-F151 VanDerWaalsContact O-CB 3.26Å; Y147-F151 WeakPolarHBondContact O-CB 3.26Å; Y147-F151 PolarHBondContact O-N 2.9Å; Y147-L214 VanDerWaalsContact CB-CD2 3.41Å; Y147-L214 HydrophobicContact CD2-CD2 3.82Å; Y147-L214 HydrophobicContact CG-CD2 4.14Å; Y147-M217 HydrophobicContact CD1-CE 3.72Å; Y147-M217 HydrophobicContact CD2-CB 3.83Å; Y147-M217 HydrophobicContact CD2-CE 4.43Å; Y147-M217 HydrophobicContact CD2-CG 4.36Å; Y147-M217 HydrophobicContact CE1-CE 3.26Å; Y147-M217 HydrophobicContact CE2-CB 3.56Å; Y147-M217 HydrophobicContact CE2-CE 4.05Å; Y147-M217 HydrophobicContact CE2-CG 4.35Å; Y147-M217 HydrophobicContact CG-CE 4.28Å; Y147-M217 VanDerWaalsContact CZ-CE 3.42Å; Y147-L227 HydrophobicContact CD1-CD2 4.48Å; Y147-L227 HydrophobicContact CE1-CD2 3.94Å; Y147-L227 HydrophobicContact CE1-CG 4.31Å; Y147-P228 WeakPolarHBondContact OH-CD 3.48Å
148	R	98.5	Very high	97	Very high	116 Å²	116	51.1 Å²	51.1	44%	0.438	26%	0.262	S	S	.	.	H	α-helix	trans	-61.1	-44.6	175.8	-74.3	171.5	180	-76.9	0.7	111.9	E144 D145 K146 K152 L214	E144-R148 WeakPolarHBondContact O-CB 3.45Å; E144-R148 VanDerWaalsContact O-CG 3.23Å; E144-R148 WeakPolarHBondContact O-CG 3.28Å; E144-R148 PolarHBondContact O-N 2.95Å; E144-R148 IonicContact OE1-CZ 3.71Å; E144-R148 IonicContact OE1-NE 2.99Å; E144-R148 PolarHBondContact OE1-NE 3.11Å; E144-R148 IonicContact OE1-NH2 2.78Å; E144-R148 PolarHBondContact OE1-NH2 3.24Å; D145-R148 PolarHBondContact O-N 3.02Å; K146-R148 PolarHBondContact O-N 3.21Å; R148-K152 WeakPolarHBondContact O-CB 3.33Å; R148-K152 PolarHBondContact O-N 2.88Å; R148-K152 VanDerWaalsContact O-N 3.13Å; R148-L214 HydrophobicContact CG-CD1 3.81Å; R148-L214 HydrophobicContact CG-CD2 4.37Å
149	Y	98.6	Very high	96.8	Very high	31 Å²	31	52.8 Å²	52.8	12%	0.122	28%	0.279	C	S	.	.	H	α-helix	trans	-63.6	-49.2	177.7	-179.2	-83.9	0	0	0	111.9	L58 C62 L65 K132 I136 D145 K146 K152 Q153	L58-Y149 HydrophobicContact CD1-CD2 3.86Å; L58-Y149 HydrophobicContact CD1-CE2 4.45Å; L58-Y149 HydrophobicContact CD1-CG 4.03Å; C62-Y149 WeakPolarHBondContact SG-CE2 3.35Å; L65-Y149 WeakPolarHBondContact CD1-OH 3.48Å; K132-Y149 HydrophobicContact CB-CE1 4.41Å; K132-Y149 HydrophobicContact CD-CE1 4.39Å; I136-Y149 HydrophobicContact CB-CD1 4.22Å; I136-Y149 HydrophobicContact CB-CE1 4.49Å; I136-Y149 HydrophobicContact CG1-CD1 3.85Å; I136-Y149 HydrophobicContact CG1-CE1 3.7Å; I136-Y149 HydrophobicContact CG2-CD1 3.84Å; I136-Y149 HydrophobicContact CG2-CG 4.26Å; D145-Y149 WeakPolarHBondContact O-CB 3.21Å; D145-Y149 PolarHBondContact O-N 3.43Å; K146-Y149 PolarHBondContact O-N 3.12Å; Y149-K152 WeakPolarHBondContact O-CB 3.43Å; Y149-K152 PolarHBondContact O-N 3.27Å; Y149-Q153 HydrophobicContact CD1-CG 4.04Å; Y149-Q153 HydrophobicContact CE1-CG 3.59Å; Y149-Q153 VanDerWaalsContact CZ-NE2 3.33Å; Y149-Q153 WeakPolarHBondContact O-CG 3.4Å; Y149-Q153 PolarHBondContact O-N 3.44Å; Y149-Q153 PolarHBondContact O-NE2 3.37Å
150	L	98.6	Very high	96.8	Very high	2 Å²	2	56 Å²	56	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-66.3	-43.9	-176.2	-71.3	172.9	0	0	0	111.7	I136 K146 Y147 K152 Q153 L169	I136-L150 HydrophobicContact CB-CD2 4.29Å; I136-L150 HydrophobicContact CG2-CD2 4.42Å; I136-L150 HydrophobicContact CG2-CG 4.34Å; K146-L150 WeakPolarHBondContact O-CB 3.4Å; K146-L150 VanDerWaalsContact O-CG 3.22Å; K146-L150 WeakPolarHBondContact O-CG 3.4Å; K146-L150 PolarHBondContact O-N 3.14Å; Y147-L150 PolarHBondContact O-N 2.69Å; L150-K152 VanDerWaalsContact C-N 3.3Å; L150-K152 PolarHBondContact O-N 3.37Å; L150-Q153 WeakPolarHBondContact O-CB 3.26Å; L150-Q153 PolarHBondContact O-N 2.89Å; L150-L169 HydrophobicContact CB-CD1 3.8Å; L150-L169 HydrophobicContact CB-CD2 4.25Å; L150-L169 HydrophobicContact CD2-CD1 4.4Å; L150-L169 HydrophobicContact CG-CD1 4.47Å
151	F	98.6	Very high	96.9	Very high	4 Å²	4	51.4 Å²	51.4	2%	0.018	27%	0.273	C	S	.	.	H	α-helix	trans	-57.7	-43.5	172.3	-176.2	-89.3	0	0	0	111.7	Y147 Q153 V154 A155 C161 I208 E209 A210 F213	Y147-F151 VanDerWaalsContact O-CB 3.26Å; Y147-F151 WeakPolarHBondContact O-CB 3.26Å; Y147-F151 PolarHBondContact O-N 2.9Å; F151-Q153 PolarHBondContact O-N 3.17Å; F151-V154 WeakPolarHBondContact O-CG2 3.4Å; F151-V154 PolarHBondContact O-N 3.44Å; F151-V154 VanDerWaalsContact O-N 3.11Å; F151-A155 HydrophobicContact CD1-CB 4.12Å; F151-A155 HydrophobicContact CE1-CB 3.85Å; F151-A155 WeakPolarHBondContact O-CB 3.43Å; F151-A155 PolarHBondContact O-N 2.84Å; F151-C161 HydrophobicContact CE1-CB 4.25Å; F151-C161 HydrophobicContact CE2-CB 3.5Å; F151-C161 HydrophobicContact CZ-CB 3.34Å; F151-I208 HydrophobicContact CE2-CD1 4.2Å; F151-I208 HydrophobicContact CE2-CG1 4.08Å; F151-I208 HydrophobicContact CZ-CG1 4.34Å; F151-E209 VanDerWaalsContact CZ-C 3.48Å; F151-A210 HydrophobicContact CD1-CB 3.61Å; F151-A210 HydrophobicContact CE1-CB 3.72Å; F151-A210 VanDerWaalsContact CE1-N 3.29Å; F151-A210 HydrophobicContact CG-CB 4.34Å; F151-F213 HydrophobicContact CB-CD1 3.78Å; F151-F213 HydrophobicContact CB-CE1 3.89Å; F151-F213 HydrophobicContact CD2-CB 3.58Å; F151-F213 AromaticContact CD2-CD1 3.51Å; F151-F213 HydrophobicContact CD2-CD1 3.51Å; F151-F213 AromaticContact CD2-CD2 3.98Å; F151-F213 HydrophobicContact CD2-CD2 3.98Å; F151-F213 HydrophobicContact CD2-CE1 4.14Å; F151-F213 AromaticContact CD2-CG 3.4Å; F151-F213 HydrophobicContact CD2-CG 3.4Å; F151-F213 VanDerWaalsContact CD2-CG 3.4Å; F151-F213 HydrophobicContact CE2-CB 3.59Å; F151-F213 HydrophobicContact CE2-CD1 4.4Å; F151-F213 HydrophobicContact CE2-CD2 4.42Å; F151-F213 AromaticContact CE2-CG 3.9Å; F151-F213 HydrophobicContact CE2-CG 3.9Å; F151-F213 HydrophobicContact CG-CB 4.45Å; F151-F213 AromaticContact CG-CD1 3.92Å; F151-F213 HydrophobicContact CG-CD1 3.92Å; F151-F213 HydrophobicContact CG-CE1 4.45Å; F151-F213 HydrophobicContact CG-CG 4.25Å; F151-F213 HydrophobicContact CZ-CB 4.48Å
152	K	98.1	Very high	97	Very high	164 Å²	164	52.4 Å²	52.4	71%	0.713	28%	0.276	S	S	*	.	H	α-helix	trans	-62.3	-20	176	-171.8	-178.3	177.1	-172.3	0	113.4	R148 Y149 L150	R148-K152 WeakPolarHBondContact O-CB 3.33Å; R148-K152 PolarHBondContact O-N 2.88Å; R148-K152 VanDerWaalsContact O-N 3.13Å; Y149-K152 WeakPolarHBondContact O-CB 3.43Å; Y149-K152 PolarHBondContact O-N 3.27Å; L150-K152 VanDerWaalsContact C-N 3.3Å; L150-K152 PolarHBondContact O-N 3.37Å
153	Q	97.9	Very high	97.2	Very high	26 Å²	26	50.3 Å²	50.3	12%	0.121	27%	0.267	C	S	.	.	H	α-helix	trans	-76.7	-25.3	175.3	-58.1	-39.3	-68.4	0	0	113.4	N73 L129 K132 Y149 L150 F151	N73-Q153 WeakPolarHBondContact ND2-CA 3.45Å; N73-Q153 WeakPolarHBondContact ND2-CB 3.27Å; N73-Q153 PolarHBondContact ND2-O 2.95Å; N73-Q153 PolarHBondContact ND2-OE1 3Å; L129-Q153 HydrophobicContact CD1-CB 3.54Å; L129-Q153 HydrophobicContact CD1-CG 4.42Å; K132-Q153 HydrophobicContact CD-CG 4.1Å; Y149-Q153 HydrophobicContact CD1-CG 4.04Å; Y149-Q153 HydrophobicContact CE1-CG 3.59Å; Y149-Q153 VanDerWaalsContact CZ-NE2 3.33Å; Y149-Q153 WeakPolarHBondContact O-CG 3.4Å; Y149-Q153 PolarHBondContact O-N 3.44Å; Y149-Q153 PolarHBondContact O-NE2 3.37Å; L150-Q153 WeakPolarHBondContact O-CB 3.26Å; L150-Q153 PolarHBondContact O-N 2.89Å; F151-Q153 PolarHBondContact O-N 3.17Å
154	V	97.9	Very high	97.4	Very high	6 Å²	6	55 Å²	55	4%	0.036	28%	0.281	C	S	.	.	H	α-helix	trans	-107.3	-23.4	-178.8	-65.6	0	0	0	0	114	L129 F151 R165 L168 L169	L129-V154 HydrophobicContact CD1-CG1 3.98Å; L129-V154 HydrophobicContact CD2-CG1 3.71Å; F151-V154 WeakPolarHBondContact O-CG2 3.4Å; F151-V154 PolarHBondContact O-N 3.44Å; F151-V154 VanDerWaalsContact O-N 3.11Å; V154-R165 HydrophobicContact CB-CB 4.22Å; V154-R165 VanDerWaalsContact CB-O 3.31Å; V154-R165 WeakPolarHBondContact CB-O 3.46Å; V154-R165 WeakPolarHBondContact CG2-O 3.45Å; V154-R165 WeakPolarHBondContact O-CB 3.06Å; V154-R165 WeakPolarHBondContact O-CD 3.23Å; V154-R165 WeakPolarHBondContact O-CG 3.48Å; V154-R165 PolarHBondContact O-NH1 3.11Å; V154-L168 HydrophobicContact CG1-CB 4.17Å; V154-L169 HydrophobicContact CG1-CB 3.89Å; V154-L169 HydrophobicContact CG2-CB 3.93Å; V154-L169 HydrophobicContact CG2-CD2 4.27Å
155	A	97.5	Very high	97.5	Very high	15 Å²	15	55.3 Å²	55.3	12%	0.124	28%	0.28	C	S	.	.	S	Bend	trans	-59.9	161.8	175.5	0	0	0	0	0	113.1	F151 F160 R165	F151-A155 HydrophobicContact CD1-CB 4.12Å; F151-A155 HydrophobicContact CE1-CB 3.85Å; F151-A155 WeakPolarHBondContact O-CB 3.43Å; F151-A155 PolarHBondContact O-N 2.84Å; A155-F160 CarbonylContact C-O 3.55Å; A155-F160 WeakPolarHBondContact CA-O 2.69Å; A155-R165 PolarHBondContact O-NH1 3.16Å
156	S	95.7	Very high	97.5	Very high	26 Å²	26	52.2 Å²	52.2	18%	0.182	26%	0.263	C	S	.	.			trans	-67.1	168.3	170	69.7	0	0	0	0	111.7	T158 G159 F160	S156-T158 PolarHBondContact O-N 3.34Å; S156-T158 VanDerWaalsContact O-N 3.17Å; S156-T158 PolarHBondContact OG-N 3.27Å; S156-T158 VanDerWaalsContact OG-N 3.17Å; S156-T158 PolarHBondContact OG-OG1 2.74Å; S156-G159 PolarHBondContact O-N 2.76Å; S156-G159 PolarHBondContact OG-N 3.09Å; S156-G159 VanDerWaalsContact OG-N 3.17Å; S156-F160 PolarHBondContact N-O 2.89Å; S156-F160 PolarHBondContact OG-N 2.8Å; S156-F160 PolarHBondContact OG-O 3.24Å
157	S	92.4	Very high	97.5	Very high	135 Å²	135	52.6 Å²	52.6	94%	0.944	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-19	167.4	49.3	0	0	0	0	113.6
158	T	94.8	Very high	97.5	Very high	105 Å²	105	54.3 Å²	54.3	64%	0.644	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-1.4	173.7	48.6	0	0	0	0	113.9	S156 F160	S156-T158 PolarHBondContact O-N 3.34Å; S156-T158 VanDerWaalsContact O-N 3.17Å; S156-T158 PolarHBondContact OG-N 3.27Å; S156-T158 VanDerWaalsContact OG-N 3.17Å; S156-T158 PolarHBondContact OG-OG1 2.74Å; T158-F160 WeakPolarHBondContact O-CD2 3.3Å
159	G	95.8	Very high	97.5	Very high	34 Å²	34	48.9 Å²	48.9	35%	0.351	26%	0.256	S	S	.	.	S	Bend	trans	88.9	5	176.1	0	0	0	0	0	115.9	S156	S156-G159 PolarHBondContact O-N 2.76Å; S156-G159 PolarHBondContact OG-N 3.09Å; S156-G159 VanDerWaalsContact OG-N 3.17Å
160	F	97.8	Very high	97.5	Very high	68 Å²	68	47.4 Å²	47.4	30%	0.298	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	148.9	-179.3	-67.2	-82.8	0	0	0	112.1	A155 S156 T158 E207 I208 E209	A155-F160 CarbonylContact C-O 3.55Å; A155-F160 WeakPolarHBondContact CA-O 2.69Å; S156-F160 PolarHBondContact N-O 2.89Å; S156-F160 PolarHBondContact OG-N 2.8Å; S156-F160 PolarHBondContact OG-O 3.24Å; T158-F160 WeakPolarHBondContact O-CD2 3.3Å; F160-E207 HydrophobicContact CB-CB 4.13Å; F160-E207 HydrophobicContact CD1-CB 4.32Å; F160-I208 CarbonylContact C-O 3.58Å; F160-E209 HydrophobicContact CD1-CG 3.89Å; F160-E209 HydrophobicContact CE1-CG 3.58Å; F160-E209 WeakPolarHBondContact CE1-OE1 3.37Å; F160-E209 HydrophobicContact CZ-CG 4.31Å
161	C	98.3	Very high	97.5	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	117.7	-176.9	-167.7	0	0	0	0	110.2	F151 R165 L166 F199 E207 I208	F151-C161 HydrophobicContact CE1-CB 4.25Å; F151-C161 HydrophobicContact CE2-CB 3.5Å; F151-C161 HydrophobicContact CZ-CB 3.34Å; C161-R165 WeakPolarHBondContact SG-CB 3.37Å; C161-L166 PolarHBondContact SG-N 3.34Å; C161-F199 WeakPolarHBondContact O-CZ 3.42Å; C161-E207 CarbonylContact O-C 3.53Å; C161-E207 VanDerWaalsContact O-CA 3.31Å; C161-E207 WeakPolarHBondContact O-CA 3.38Å; C161-I208 HydrophobicContact CB-CG1 4.01Å; C161-I208 PolarHBondContact N-O 2.86Å; C161-I208 PolarHBondContact O-N 3.45Å
162	D	98.2	Very high	97.5	Very high	35 Å²	35	51.2 Å²	51.2	19%	0.187	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	168.4	173	70.8	52	0	0	0	111.7	R164 R165 L166 E207	D162-R164 VanDerWaalsContact C-N 3.28Å; D162-R164 PolarHBondContact O-N 3.29Å; D162-R164 WeakPolarHBondContact OD1-CA 3.46Å; D162-R164 VanDerWaalsContact OD1-CB 3.29Å; D162-R164 WeakPolarHBondContact OD1-CB 3.44Å; D162-R164 PolarHBondContact OD1-N 2.95Å; D162-R164 IonicContact OD1-NE 3.72Å; D162-R164 IonicContact OD1-NH2 3.24Å; D162-R164 IonicContact OD2-CZ 2.91Å; D162-R164 IonicContact OD2-NH2 3.82Å; D162-R164 PolarHBondContact OD2-NH2 3.5Å; D162-R165 PolarHBondContact O-N 3.48Å; D162-R165 WeakPolarHBondContact OD1-CG 3.43Å; D162-R165 PolarHBondContact OD1-N 2.89Å; D162-R165 WeakPolarHBondContact OD2-CD 3.35Å; D162-R165 WeakPolarHBondContact OD2-CG 3.23Å; D162-R165 IonicContact OD2-NE 3.85Å; D162-R165 PolarHBondContact OD2-NE 3.09Å; D162-L166 PolarHBondContact O-N 3.24Å; D162-E207 HydrophobicContact CB-CG 4.42Å
163	Q	98.3	Very high	97.5	Very high	99 Å²	99	43.4 Å²	43.4	46%	0.463	24%	0.235	S	C	.	.	H	α-helix	trans	-57.1	-38.4	-179.3	-74.1	-172.1	30.6	0	0	113.4	G167 V195 F199	Q163-G167 PolarHBondContact O-N 3.23Å; Q163-V195 HydrophobicContact CB-CG1 3.7Å; Q163-V195 HydrophobicContact CG-CG1 3.95Å; Q163-V195 WeakPolarHBondContact O-CG1 3.23Å; Q163-F199 HydrophobicContact CB-CE2 4.36Å; Q163-F199 HydrophobicContact CB-CZ 4.35Å; Q163-F199 HydrophobicContact CG-CB 4.37Å; Q163-F199 HydrophobicContact CG-CD1 3.49Å; Q163-F199 VanDerWaalsContact CG-CD1 3.49Å; Q163-F199 HydrophobicContact CG-CD2 3.7Å; Q163-F199 HydrophobicContact CG-CE1 3.59Å; Q163-F199 HydrophobicContact CG-CE2 3.78Å; Q163-F199 HydrophobicContact CG-CG 3.55Å; Q163-F199 HydrophobicContact CG-CZ 3.74Å
164	R	97.7	Very high	97.5	Very high	145 Å²	145	42.2 Å²	42.2	55%	0.547	23%	0.229	S	C	.	.	H	α-helix	trans	-71	-37.4	180	171.7	-161.2	63.3	84	14.5	110.9	D162 G167 L168	D162-R164 VanDerWaalsContact C-N 3.28Å; D162-R164 PolarHBondContact O-N 3.29Å; D162-R164 WeakPolarHBondContact OD1-CA 3.46Å; D162-R164 VanDerWaalsContact OD1-CB 3.29Å; D162-R164 WeakPolarHBondContact OD1-CB 3.44Å; D162-R164 PolarHBondContact OD1-N 2.95Å; D162-R164 IonicContact OD1-NE 3.72Å; D162-R164 IonicContact OD1-NH2 3.24Å; D162-R164 IonicContact OD2-CZ 2.91Å; D162-R164 IonicContact OD2-NH2 3.82Å; D162-R164 PolarHBondContact OD2-NH2 3.5Å; R164-G167 WeakPolarHBondContact O-CA 3.37Å; R164-G167 PolarHBondContact O-N 2.94Å; R164-L168 WeakPolarHBondContact O-CG 3.42Å; R164-L168 PolarHBondContact O-N 3.45Å
165	R	98.1	Very high	97.5	Very high	72 Å²	72	43 Å²	43	27%	0.272	23%	0.232	S	C	.	.	H	α-helix	trans	-64.5	-44.6	173.9	-72.4	169.9	-177.6	-80.8	0.2	111.8	V154 A155 C161 D162 G167 L168 L169	V154-R165 HydrophobicContact CB-CB 4.22Å; V154-R165 VanDerWaalsContact CB-O 3.31Å; V154-R165 WeakPolarHBondContact CB-O 3.46Å; V154-R165 WeakPolarHBondContact CG2-O 3.45Å; V154-R165 WeakPolarHBondContact O-CB 3.06Å; V154-R165 WeakPolarHBondContact O-CD 3.23Å; V154-R165 WeakPolarHBondContact O-CG 3.48Å; V154-R165 PolarHBondContact O-NH1 3.11Å; A155-R165 PolarHBondContact O-NH1 3.16Å; C161-R165 WeakPolarHBondContact SG-CB 3.37Å; D162-R165 PolarHBondContact O-N 3.48Å; D162-R165 WeakPolarHBondContact OD1-CG 3.43Å; D162-R165 PolarHBondContact OD1-N 2.89Å; D162-R165 WeakPolarHBondContact OD2-CD 3.35Å; D162-R165 WeakPolarHBondContact OD2-CG 3.23Å; D162-R165 IonicContact OD2-NE 3.85Å; D162-R165 PolarHBondContact OD2-NE 3.09Å; R165-G167 VanDerWaalsContact C-N 3.29Å; R165-G167 PolarHBondContact O-N 2.93Å; R165-L168 PolarHBondContact O-N 3Å; R165-L169 PolarHBondContact O-N 3.35Å
166	L	98.6	Very high	97.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.3	-41.2	171.6	-179.2	62.8	0	0	0	110.7	C161 D162 L168 L169 L170 V195 C198 F199 I208 F213	C161-L166 PolarHBondContact SG-N 3.34Å; D162-L166 PolarHBondContact O-N 3.24Å; L166-L168 PolarHBondContact O-N 2.61Å; L166-L169 PolarHBondContact O-N 3.05Å; L166-L169 VanDerWaalsContact O-N 3.16Å; L166-L170 HydrophobicContact CD1-CD1 4.34Å; L166-L170 HydrophobicContact CD1-CG 4.16Å; L166-L170 HydrophobicContact CD2-CD1 4.44Å; L166-L170 HydrophobicContact CG-CD1 4.04Å; L166-L170 HydrophobicContact CG-CG 4.24Å; L166-L170 WeakPolarHBondContact O-CG 3.49Å; L166-L170 PolarHBondContact O-N 3.34Å; L166-V195 HydrophobicContact CD2-CG1 4.48Å; L166-V195 HydrophobicContact CG-CG2 4.4Å; L166-C198 HydrophobicContact CD2-CB 3.48Å; L166-C198 VanDerWaalsContact CD2-CB 3.48Å; L166-F199 HydrophobicContact CB-CE2 4.16Å; L166-F199 HydrophobicContact CD2-CD2 4.05Å; L166-F199 HydrophobicContact CD2-CE2 3.72Å; L166-I208 HydrophobicContact CD2-CD1 4.38Å; L166-F213 HydrophobicContact CD1-CD2 3.97Å; L166-F213 HydrophobicContact CD1-CE2 3.75Å
167	G	98.3	Very high	97.6	Very high	9 Å²	9	41 Å²	41	9%	0.093	22%	0.218	C	C	.	.	H	α-helix	trans	-54.7	-45.5	174.4	0	0	0	0	0	113.3	Q163 R164 R165 L169 L170 H171	Q163-G167 PolarHBondContact O-N 3.23Å; R164-G167 WeakPolarHBondContact O-CA 3.37Å; R164-G167 PolarHBondContact O-N 2.94Å; R165-G167 VanDerWaalsContact C-N 3.29Å; R165-G167 PolarHBondContact O-N 2.93Å; G167-L169 PolarHBondContact O-N 3.2Å; G167-L170 PolarHBondContact O-N 3.02Å; G167-H171 WeakPolarHBondContact O-CB 3.28Å; G167-H171 PolarHBondContact O-N 3.17Å
168	L	98.1	Very high	97.8	Very high	48 Å²	48	40.1 Å²	40.1	25%	0.251	19%	0.194	S	C	.	.	H	α-helix	trans	-57.3	-45.1	175.1	-69.6	172.2	0	0	0	112.3	L129 V154 R164 R165 L166 D172	L129-L168 HydrophobicContact CD2-CB 4Å; V154-L168 HydrophobicContact CG1-CB 4.17Å; R164-L168 WeakPolarHBondContact O-CG 3.42Å; R164-L168 PolarHBondContact O-N 3.45Å; R165-L168 PolarHBondContact O-N 3Å; L166-L168 PolarHBondContact O-N 2.61Å; L168-D172 PolarHBondContact O-N 2.92Å
169	L	98.6	Very high	97.9	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.01	18%	0.175	C	C	.	.	H	α-helix	trans	-66.1	-45.8	178.7	173.3	57.8	0	0	0	111.9	L150 V154 R165 L166 G167 S173 F213	L150-L169 HydrophobicContact CB-CD1 3.8Å; L150-L169 HydrophobicContact CB-CD2 4.25Å; L150-L169 HydrophobicContact CD2-CD1 4.4Å; L150-L169 HydrophobicContact CG-CD1 4.47Å; V154-L169 HydrophobicContact CG1-CB 3.89Å; V154-L169 HydrophobicContact CG2-CB 3.93Å; V154-L169 HydrophobicContact CG2-CD2 4.27Å; R165-L169 PolarHBondContact O-N 3.35Å; L166-L169 PolarHBondContact O-N 3.05Å; L166-L169 VanDerWaalsContact O-N 3.16Å; G167-L169 PolarHBondContact O-N 3.2Å; L169-S173 VanDerWaalsContact O-CB 3.26Å; L169-S173 WeakPolarHBondContact O-CB 3.38Å; L169-S173 PolarHBondContact O-N 3.36Å; L169-S173 PolarHBondContact O-OG 2.91Å; L169-F213 HydrophobicContact CD2-CE2 4.37Å; L169-F213 HydrophobicContact CD2-CZ 3.88Å
170	L	98.4	Very high	97.9	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-67.2	-38.1	179.2	-64.4	-176.8	0	0	0	111.4	L166 G167 S173 I174 I191 V195 W216 M224	L166-L170 HydrophobicContact CD1-CD1 4.34Å; L166-L170 HydrophobicContact CD1-CG 4.16Å; L166-L170 HydrophobicContact CD2-CD1 4.44Å; L166-L170 HydrophobicContact CG-CD1 4.04Å; L166-L170 HydrophobicContact CG-CG 4.24Å; L166-L170 WeakPolarHBondContact O-CG 3.49Å; L166-L170 PolarHBondContact O-N 3.34Å; G167-L170 PolarHBondContact O-N 3.02Å; L170-S173 PolarHBondContact O-N 3.1Å; L170-I174 WeakPolarHBondContact O-CB 3.38Å; L170-I174 PolarHBondContact O-N 3.06Å; L170-I191 HydrophobicContact CB-CB 4Å; L170-I191 HydrophobicContact CB-CG1 4.35Å; L170-I191 HydrophobicContact CB-CG2 4.16Å; L170-V195 HydrophobicContact CD1-CG2 3.93Å; L170-W216 HydrophobicContact CD1-CH2 4.08Å; L170-W216 HydrophobicContact CD2-CH2 4.37Å; L170-W216 HydrophobicContact CD2-CZ3 4.36Å; L170-M224 HydrophobicContact CD2-CG 3.67Å; L170-M224 HydrophobicContact CD2-SD 3.68Å
171	H	98.1	Very high	97.8	Very high	85 Å²	85	37.2 Å²	37.2	39%	0.394	18%	0.183	S	C	.	.	H	α-helix	trans	-63.3	-43.9	176.5	179.1	-80.7	0	0	0	112.4	G167 I174 Q175 I191	G167-H171 WeakPolarHBondContact O-CB 3.28Å; G167-H171 PolarHBondContact O-N 3.17Å; H171-I174 WeakPolarHBondContact O-CG2 3.5Å; H171-Q175 WeakPolarHBondContact O-CG 3.17Å; H171-Q175 PolarHBondContact O-NE2 3.18Å; H171-I191 HydrophobicContact CB-CG1 4.13Å
172	D	98.4	Very high	97.7	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-67.5	-40.4	173.1	-82.4	-52.6	0	0	0	111.3	Y118 R127 L129 S130 T133 L168 I174 Q175	Y118-D172 HydrophobicContact CE1-CB 4.23Å; Y118-D172 WeakPolarHBondContact CE1-O 3.32Å; Y118-D172 PolarHBondContact OH-O 2.88Å; R127-D172 IonicContact CZ-OD1 2.72Å; R127-D172 IonicContact CZ-OD2 2.68Å; R127-D172 VanDerWaalsContact CZ-OD2 3.3Å; R127-D172 IonicContact NH1-OD1 3.64Å; R127-D172 IonicContact NH1-OD2 2.8Å; R127-D172 PolarHBondContact NH1-OD2 2.92Å; R127-D172 IonicContact NH2-OD1 3.77Å; R127-D172 PolarHBondContact NH2-OD1 3.11Å; R127-D172 IonicContact NH2-OD2 3.83Å; R127-D172 PolarHBondContact NH2-OD2 3.16Å; L129-D172 WeakPolarHBondContact CD2-OD2 3.49Å; L129-D172 WeakPolarHBondContact CG-OD2 3.38Å; S130-D172 WeakPolarHBondContact CB-OD1 3.34Å; S130-D172 PolarHBondContact OG-OD1 3.4Å; T133-D172 HydrophobicContact CG2-CB 3.91Å; L168-D172 PolarHBondContact O-N 2.92Å; D172-I174 PolarHBondContact O-N 2.87Å; D172-Q175 PolarHBondContact O-N 2.94Å
173	S	98.6	Very high	97.5	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-65.5	-37.2	-178.3	-59.5	0	0	0	0	113.3	L169 L170 Q175 I176 P177 M224 W226	L169-S173 VanDerWaalsContact O-CB 3.26Å; L169-S173 WeakPolarHBondContact O-CB 3.38Å; L169-S173 PolarHBondContact O-N 3.36Å; L169-S173 PolarHBondContact O-OG 2.91Å; L170-S173 PolarHBondContact O-N 3.1Å; S173-Q175 VanDerWaalsContact C-N 3.29Å; S173-Q175 PolarHBondContact O-N 2.96Å; S173-I176 PolarHBondContact O-N 2.77Å; S173-P177 WeakPolarHBondContact O-CD 3.29Å; S173-M224 WeakPolarHBondContact CB-SD 3.33Å; S173-W226 WeakPolarHBondContact O-CZ2 3.43Å
174	I	97.8	Very high	97	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-73.9	-16.8	-178.2	-158.7	68	0	0	0	113.3	L170 H171 D172 I176 P177 R178 V183 F186 I191	L170-I174 WeakPolarHBondContact O-CB 3.38Å; L170-I174 PolarHBondContact O-N 3.06Å; H171-I174 WeakPolarHBondContact O-CG2 3.5Å; D172-I174 PolarHBondContact O-N 2.87Å; I174-I176 PolarHBondContact O-N 2.96Å; I174-P177 HydrophobicContact CD1-CG 3.98Å; I174-P177 VanDerWaalsContact O-CD 3.28Å; I174-P177 WeakPolarHBondContact O-CD 3.26Å; I174-P177 WeakPolarHBondContact O-CG 3.28Å; I174-R178 WeakPolarHBondContact O-CB 3.46Å; I174-R178 PolarHBondContact O-N 3.33Å; I174-R178 VanDerWaalsContact O-N 3.16Å; I174-V183 HydrophobicContact CD1-CG2 4.41Å; I174-V183 HydrophobicContact CG1-CG2 3.95Å; I174-F186 HydrophobicContact CD1-CB 3.65Å; I174-I191 HydrophobicContact CB-CG2 4.17Å; I174-I191 HydrophobicContact CG2-CG2 3.75Å
175	Q	98.3	Very high	96.7	Very high	21 Å²	21	29.6 Å²	29.6	10%	0.098	17%	0.168	C	C	.	.	H	α-helix	trans	-64.7	-30.5	174.4	-55.1	-44.6	-48.5	0	0	112.1	V117 Y118 H171 D172 S173 R178 Q179	V117-Q175 HydrophobicContact CG1-CB 3.5Å; Y118-Q175 HydrophobicContact CD1-CB 4.19Å; Y118-Q175 HydrophobicContact CD1-CG 4.15Å; Y118-Q175 HydrophobicContact CE1-CB 3.98Å; Y118-Q175 HydrophobicContact CE1-CG 4.13Å; H171-Q175 WeakPolarHBondContact O-CG 3.17Å; H171-Q175 PolarHBondContact O-NE2 3.18Å; D172-Q175 PolarHBondContact O-N 2.94Å; S173-Q175 VanDerWaalsContact C-N 3.29Å; S173-Q175 PolarHBondContact O-N 2.96Å; Q175-R178 WeakPolarHBondContact O-CB 3.33Å; Q175-R178 PolarHBondContact O-N 3.41Å; Q175-Q179 PolarHBondContact O-N 3.27Å
176	I	98.5	Very high	96.4	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-61.6	-53.6	-178.3	-64.5	169.5	0	0	0	111.8	L44 W113 V117 S173 I174 W226	L44-I176 HydrophobicContact CD1-CG2 4.11Å; L44-I176 HydrophobicContact CD2-CG2 3.57Å; W113-I176 HydrophobicContact CZ2-CG1 4.41Å; V117-I176 HydrophobicContact CG1-CG1 4.11Å; S173-I176 PolarHBondContact O-N 2.77Å; I174-I176 PolarHBondContact O-N 2.96Å; I176-W226 HydrophobicContact CB-CH2 4.21Å; I176-W226 HydrophobicContact CB-CZ2 4.39Å; I176-W226 HydrophobicContact CD1-CH2 3.75Å; I176-W226 HydrophobicContact CD1-CZ2 4.35Å; I176-W226 HydrophobicContact CG2-CH2 4.11Å; I176-W226 HydrophobicContact CG2-CZ3 4.08Å
177	P	97.4	Very high	95.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-71.6	-25	171.6	28	-35.6	0	0	0	113.8	T40 S173 I174 L180 G181 E182 F186 W226	T40-P177 HydrophobicContact CG2-CB 4Å; S173-P177 WeakPolarHBondContact O-CD 3.29Å; I174-P177 HydrophobicContact CD1-CG 3.98Å; I174-P177 VanDerWaalsContact O-CD 3.28Å; I174-P177 WeakPolarHBondContact O-CD 3.26Å; I174-P177 WeakPolarHBondContact O-CG 3.28Å; P177-L180 PolarHBondContact O-N 3Å; P177-G181 PolarHBondContact O-N 3.34Å; P177-E182 PolarHBondContact O-N 2.93Å; P177-F186 HydrophobicContact CB-CD2 3.55Å; P177-F186 HydrophobicContact CB-CE2 3.67Å; P177-F186 HydrophobicContact CB-CG 4.44Å; P177-F186 HydrophobicContact CG-CD2 4.02Å; P177-F186 HydrophobicContact CG-CG 4.49Å; P177-W226 HydrophobicContact CG-CG 4.48Å
178	R	97	Very high	95.3	Very high	116 Å²	116	29.4 Å²	29.4	44%	0.438	19%	0.188	S	C	.	.	H	α-helix	trans	-62.3	-42.8	173.6	-177.6	171.3	175	-96	-6.3	112.3	I174 Q175 L180 G181 V183	I174-R178 WeakPolarHBondContact O-CB 3.46Å; I174-R178 PolarHBondContact O-N 3.33Å; I174-R178 VanDerWaalsContact O-N 3.16Å; Q175-R178 WeakPolarHBondContact O-CB 3.33Å; Q175-R178 PolarHBondContact O-N 3.41Å; R178-L180 PolarHBondContact O-N 2.9Å; R178-L180 VanDerWaalsContact O-N 3.17Å; R178-G181 PolarHBondContact O-N 3.43Å; R178-V183 HydrophobicContact CB-CB 3.87Å; R178-V183 HydrophobicContact CB-CG1 4.18Å; R178-V183 HydrophobicContact CB-CG2 4.25Å; R178-V183 HydrophobicContact CG-CB 4.25Å; R178-V183 HydrophobicContact CG-CG1 4Å
179	Q	96.8	Very high	94.8	Very high	55 Å²	55	30.7 Å²	30.7	26%	0.257	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-12.3	176.3	-175.7	51.4	32.4	0	0	113.7	Y24 N116 V117 Q175	Y24-Q179 WeakPolarHBondContact OH-CG 3.41Å; Y24-Q179 PolarHBondContact OH-NE2 2.9Å; N116-Q179 HydrophobicContact CB-CG 4.1Å; N116-Q179 PolarHBondContact O-OE1 3.43Å; V117-Q179 HydrophobicContact CG2-CB 3.84Å; V117-Q179 HydrophobicContact CG2-CG 3.89Å; Q175-Q179 PolarHBondContact O-N 3.27Å
180	L	95.7	Very high	94.4	Very high	22 Å²	22	34 Å²	34	12%	0.115	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-0.7	170.7	-63.4	-177.4	0	0	0	113.8	Y24 L27 T40 K43 L44 P177 R178 E182	Y24-L180 HydrophobicContact CE1-CD2 4.13Å; L27-L180 HydrophobicContact CD1-CD2 3.66Å; T40-L180 HydrophobicContact CG2-CD1 4.03Å; K43-L180 HydrophobicContact CB-CD1 3.81Å; L44-L180 HydrophobicContact CD2-CD1 3.61Å; L44-L180 HydrophobicContact CD2-CG 4.47Å; L44-L180 HydrophobicContact CG-CD1 3.67Å; P177-L180 PolarHBondContact O-N 3Å; R178-L180 PolarHBondContact O-N 2.9Å; R178-L180 VanDerWaalsContact O-N 3.17Å; L180-E182 VanDerWaalsContact C-N 3.3Å; L180-E182 HydrophobicContact CB-CG 4.02Å
181	G	95.1	Very high	94.1	Very high	68 Å²	68	34.3 Å²	34.3	70%	0.701	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.4	13	-174.2	0	0	0	0	0	114.5	P177 R178	P177-G181 PolarHBondContact O-N 3.34Å; R178-G181 PolarHBondContact O-N 3.43Å
182	E	95.3	Very high	93.9	Very high	12 Å²	12	34.9 Å²	34.9	6%	0.056	22%	0.223	C	C	.	.			trans	-103.2	-1.9	-169.5	-59.6	-82.9	-175.4	0	0	113.5	R39 T40 K43 P177 L180 A184 S185 F186	R39-E182 WeakPolarHBondContact CD-OE1 2.74Å; R39-E182 WeakPolarHBondContact CG-OE1 3.43Å; R39-E182 IonicContact CZ-OE1 3.12Å; R39-E182 IonicContact CZ-OE2 2.74Å; R39-E182 VanDerWaalsContact CZ-OE2 3.28Å; R39-E182 VanDerWaalsContact NE-CD 3.29Å; R39-E182 IonicContact NE-OE1 3.67Å; R39-E182 PolarHBondContact NE-OE1 3.12Å; R39-E182 IonicContact NE-OE2 2.7Å; R39-E182 PolarHBondContact NE-OE2 3.04Å; R39-E182 IonicContact NH2-OE1 2.73Å; R39-E182 IonicContact NH2-OE2 3.17Å; R39-E182 PolarHBondContact NH2-OE2 2.93Å; T40-E182 HydrophobicContact CG2-CB 4.33Å; T40-E182 HydrophobicContact CG2-CG 4.41Å; T40-E182 WeakPolarHBondContact OG1-CB 3.37Å; T40-E182 WeakPolarHBondContact OG1-CG 3.4Å; K43-E182 IonicContact NZ-OE1 3.33Å; K43-E182 PolarHBondContact NZ-OE1 2.98Å; P177-E182 PolarHBondContact O-N 2.93Å; L180-E182 VanDerWaalsContact C-N 3.3Å; L180-E182 HydrophobicContact CB-CG 4.02Å; E182-A184 VanDerWaalsContact C-N 3.27Å; E182-A184 PolarHBondContact O-N 3.47Å; E182-A184 VanDerWaalsContact O-N 3.11Å; E182-S185 VanDerWaalsContact O-CB 3.3Å; E182-S185 WeakPolarHBondContact O-CB 3.49Å; E182-S185 PolarHBondContact O-N 3.43Å; E182-F186 HydrophobicContact CB-CD2 4.42Å; E182-F186 HydrophobicContact CB-CE2 3.8Å; E182-F186 VanDerWaalsContact O-CD2 3.28Å; E182-F186 WeakPolarHBondContact O-CD2 3.34Å
183	V	93.9	Very high	93.7	Very high	16 Å²	16	37.8 Å²	37.8	10%	0.097	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-54.4	-32.6	-170.5	59	0	0	0	0	115.4	I174 R178 S185 F186 G188	I174-V183 HydrophobicContact CD1-CG2 4.41Å; I174-V183 HydrophobicContact CG1-CG2 3.95Å; R178-V183 HydrophobicContact CB-CB 3.87Å; R178-V183 HydrophobicContact CB-CG1 4.18Å; R178-V183 HydrophobicContact CB-CG2 4.25Å; R178-V183 HydrophobicContact CG-CB 4.25Å; R178-V183 HydrophobicContact CG-CG1 4Å; V183-S185 PolarHBondContact O-N 3.2Å; V183-F186 PolarHBondContact O-N 3.04Å; V183-G188 VanDerWaalsContact CG2-O 3.3Å; V183-G188 WeakPolarHBondContact CG2-O 3.48Å; V183-G188 PolarHBondContact O-N 3.07Å; V183-G188 VanDerWaalsContact O-N 3.14Å
184	A	89.5	Confident	93.5	Very high	69 Å²	69	38.6 Å²	38.6	57%	0.57	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-57.6	-29.8	174.4	0	0	0	0	0	112.7	E182 F186	E182-A184 VanDerWaalsContact C-N 3.27Å; E182-A184 PolarHBondContact O-N 3.47Å; E182-A184 VanDerWaalsContact O-N 3.11Å; A184-F186 VanDerWaalsContact C-N 3.25Å; A184-F186 PolarHBondContact O-N 3.27Å
185	S	89.8	Confident	93.5	Very high	23 Å²	23	38.9 Å²	38.9	16%	0.161	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-76	-6.7	174.9	-68.3	0	0	0	0	114.5	S36 E182 V183 Q222	S36-S185 VanDerWaalsContact CB-CB 3.46Å; S36-S185 WeakPolarHBondContact CB-OG 3.41Å; S36-S185 WeakPolarHBondContact OG-CB 3.45Å; S36-S185 PolarHBondContact OG-OG 2.72Å; E182-S185 VanDerWaalsContact O-CB 3.3Å; E182-S185 WeakPolarHBondContact O-CB 3.49Å; E182-S185 PolarHBondContact O-N 3.43Å; V183-S185 PolarHBondContact O-N 3.2Å; S185-Q222 PolarHBondContact O-NE2 3.47Å
186	F	92	Very high	93.3	Very high	1 Å²	1	43.8 Å²	43.8	0%	0.004	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-119.5	18.8	-174.2	-58.9	-68.2	0	0	0	113	T40 I174 P177 E182 V183 A184 Q222 S223 V225 W226	T40-F186 HydrophobicContact CG2-CE2 3.77Å; T40-F186 HydrophobicContact CG2-CZ 3.83Å; T40-F186 WeakPolarHBondContact OG1-CE2 3.47Å; T40-F186 VanDerWaalsContact OG1-CZ 3.31Å; T40-F186 WeakPolarHBondContact OG1-CZ 3.46Å; I174-F186 HydrophobicContact CD1-CB 3.65Å; P177-F186 HydrophobicContact CB-CD2 3.55Å; P177-F186 HydrophobicContact CB-CE2 3.67Å; P177-F186 HydrophobicContact CB-CG 4.44Å; P177-F186 HydrophobicContact CG-CD2 4.02Å; P177-F186 HydrophobicContact CG-CG 4.49Å; E182-F186 HydrophobicContact CB-CD2 4.42Å; E182-F186 HydrophobicContact CB-CE2 3.8Å; E182-F186 VanDerWaalsContact O-CD2 3.28Å; E182-F186 WeakPolarHBondContact O-CD2 3.34Å; V183-F186 PolarHBondContact O-N 3.04Å; A184-F186 VanDerWaalsContact C-N 3.25Å; A184-F186 PolarHBondContact O-N 3.27Å; F186-Q222 WeakPolarHBondContact CA-O 3.33Å; F186-Q222 WeakPolarHBondContact CB-O 3.15Å; F186-Q222 WeakPolarHBondContact CD1-O 3.43Å; F186-Q222 CarbonylContact O-C 3.5Å; F186-S223 VanDerWaalsContact O-CA 3.27Å; F186-S223 WeakPolarHBondContact O-CA 3.48Å; F186-S223 PolarHBondContact O-N 3.44Å; F186-V225 HydrophobicContact CD1-CG1 3.85Å; F186-V225 HydrophobicContact CE1-CG1 3.84Å; F186-W226 HydrophobicContact CD1-CB 4.44Å; F186-W226 HydrophobicContact CE1-CB 3.77Å; F186-W226 HydrophobicContact CE1-CG 4.44Å; F186-W226 HydrophobicContact CZ-CB 3.87Å
187	G	85.3	Confident	93.2	Very high	53 Å²	53	46.3 Å²	46.3	55%	0.546	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	97	4.5	179.7	0	0	0	0	0	114.8
188	G	88.4	Confident	93.1	Very high	23 Å²	23	46.3 Å²	46.3	24%	0.237	29%	0.285	C	S	.	.			trans	85.9	-173.3	-175.7	0	0	0	0	0	112.9	V183	V183-G188 VanDerWaalsContact CG2-O 3.3Å; V183-G188 WeakPolarHBondContact CG2-O 3.48Å; V183-G188 PolarHBondContact O-N 3.07Å; V183-G188 VanDerWaalsContact O-N 3.14Å
189	S	87.1	Confident	93.1	Very high	74 Å²	74	40.9 Å²	40.9	52%	0.517	27%	0.265	S	S	.	.	S	Bend	trans	-77.8	-22.6	179.1	48.4	0	0	0	0	113.4
190	N	90.7	Very high	93	Very high	72 Å²	72	44.1 Å²	44.1	39%	0.385	28%	0.28	S	S	.	.			trans	-75.2	117.8	176.9	-175.7	-42.8	0	0	0	109.5	E192 P193	N190-E192 WeakPolarHBondContact OD1-CB 3.27Å; N190-E192 PolarHBondContact OD1-N 3.23Å; N190-E192 PolarHBondContact OD1-OE2 3.09Å; N190-P193 WeakPolarHBondContact OD1-CD 3.14Å
191	I	93.1	Very high	92.8	Very high	7 Å²	7	47.5 Å²	47.5	4%	0.036	29%	0.294	C	S	.	.			trans	-100.7	-9	-173.6	54.4	66.5	0	0	0	112.9	L170 H171 I174 S194 V195	L170-I191 HydrophobicContact CB-CB 4Å; L170-I191 HydrophobicContact CB-CG1 4.35Å; L170-I191 HydrophobicContact CB-CG2 4.16Å; H171-I191 HydrophobicContact CB-CG1 4.13Å; I174-I191 HydrophobicContact CB-CG2 4.17Å; I174-I191 HydrophobicContact CG2-CG2 3.75Å; I191-S194 WeakPolarHBondContact O-CA 3.27Å; I191-S194 WeakPolarHBondContact O-CB 3.19Å; I191-S194 PolarHBondContact O-N 3.19Å; I191-V195 HydrophobicContact CD1-CG2 3.89Å; I191-V195 PolarHBondContact O-N 3.41Å
192	E	94.1	Very high	92.7	Very high	98 Å²	98	44.4 Å²	44.4	46%	0.458	26%	0.262	S	S	.	.	H	α-helix	trans	-59.5	-39.4	-176.4	-73.5	65	-160.7	0	0	113.2	N190 S194 V195 R196	N190-E192 WeakPolarHBondContact OD1-CB 3.27Å; N190-E192 PolarHBondContact OD1-N 3.23Å; N190-E192 PolarHBondContact OD1-OE2 3.09Å; E192-S194 VanDerWaalsContact C-N 3.28Å; E192-S194 PolarHBondContact O-N 2.84Å; E192-V195 PolarHBondContact O-N 2.96Å; E192-R196 WeakPolarHBondContact O-CB 3.38Å; E192-R196 WeakPolarHBondContact O-CG 3.33Å; E192-R196 PolarHBondContact O-N 3.41Å
193	P	93.3	Very high	92.7	Very high	61 Å²	61	50.2 Å²	50.2	40%	0.396	29%	0.293	S	S	.	.	H	α-helix	trans	-56.8	-38.4	169.3	-25.9	32.5	0	0	0	113.5	N190 S197	N190-P193 WeakPolarHBondContact OD1-CD 3.14Å; P193-S197 WeakPolarHBondContact O-CB 3.44Å; P193-S197 PolarHBondContact O-N 3.13Å
194	S	93.9	Very high	92.8	Very high	18 Å²	18	55.2 Å²	55.2	13%	0.126	32%	0.319	C	S	.	.	H	α-helix	trans	-73.3	-37.4	178.4	-64.9	0	0	0	0	111.8	I191 E192 S197 C198 W216 S223	I191-S194 WeakPolarHBondContact O-CA 3.27Å; I191-S194 WeakPolarHBondContact O-CB 3.19Å; I191-S194 PolarHBondContact O-N 3.19Å; E192-S194 VanDerWaalsContact C-N 3.28Å; E192-S194 PolarHBondContact O-N 2.84Å; S194-S197 PolarHBondContact O-N 2.73Å; S194-C198 PolarHBondContact O-N 2.67Å; S194-W216 VanDerWaalsContact O-CZ2 3.31Å; S194-W216 WeakPolarHBondContact O-CZ2 3.47Å; S194-S223 WeakPolarHBondContact OG-CB 3.38Å; S194-S223 PolarHBondContact OG-OG 3.29Å
195	V	97.5	Very high	93	Very high	7 Å²	7	57.4 Å²	57.4	4%	0.042	32%	0.316	C	S	.	.	H	α-helix	trans	-61.7	-49.2	170.7	177.2	0	0	0	0	110.5	Q163 L166 L170 I191 E192 S197 C198 F199	Q163-V195 HydrophobicContact CB-CG1 3.7Å; Q163-V195 HydrophobicContact CG-CG1 3.95Å; Q163-V195 WeakPolarHBondContact O-CG1 3.23Å; L166-V195 HydrophobicContact CD2-CG1 4.48Å; L166-V195 HydrophobicContact CG-CG2 4.4Å; L170-V195 HydrophobicContact CD1-CG2 3.93Å; I191-V195 HydrophobicContact CD1-CG2 3.89Å; I191-V195 PolarHBondContact O-N 3.41Å; E192-V195 PolarHBondContact O-N 2.96Å; V195-S197 VanDerWaalsContact C-N 3.33Å; V195-S197 PolarHBondContact O-N 2.7Å; V195-C198 PolarHBondContact O-N 3.25Å; V195-F199 HydrophobicContact CG1-CD2 4.18Å; V195-F199 HydrophobicContact CG1-CE2 4.44Å; V195-F199 WeakPolarHBondContact O-CD2 3.19Å; V195-F199 PolarHBondContact O-N 3.16Å
196	R	95.5	Very high	93.3	Very high	124 Å²	124	61.6 Å²	61.6	47%	0.468	34%	0.342	S	S	.	.	H	α-helix	trans	-57.7	-44.7	176.5	-71	-169.7	-57.8	-97.6	12.6	111.4	E192 C198 F199 Q200	E192-R196 WeakPolarHBondContact O-CB 3.38Å; E192-R196 WeakPolarHBondContact O-CG 3.33Å; E192-R196 PolarHBondContact O-N 3.41Å; R196-C198 PolarHBondContact O-N 3.02Å; R196-F199 PolarHBondContact O-N 3.32Å; R196-Q200 WeakPolarHBondContact O-CB 3.22Å; R196-Q200 VanDerWaalsContact O-CG 3.24Å; R196-Q200 WeakPolarHBondContact O-CG 3.33Å; R196-Q200 PolarHBondContact O-N 2.89Å
197	S	95.5	Very high	93.6	Very high	53 Å²	53	65.4 Å²	65.4	37%	0.371	36%	0.36	S	S	.	.	H	α-helix	trans	-58	-46	175.9	178	0	0	0	0	112.7	P193 S194 V195 F199 Q200 F201	P193-S197 WeakPolarHBondContact O-CB 3.44Å; P193-S197 PolarHBondContact O-N 3.13Å; S194-S197 PolarHBondContact O-N 2.73Å; V195-S197 VanDerWaalsContact C-N 3.33Å; V195-S197 PolarHBondContact O-N 2.7Å; S197-F199 PolarHBondContact O-N 3.06Å; S197-Q200 PolarHBondContact O-N 2.96Å; S197-F201 WeakPolarHBondContact O-CB 3.39Å; S197-F201 PolarHBondContact O-N 3.37Å
198	C	95.8	Very high	94.2	Very high	0 Å²	0	63 Å²	63	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-62.7	-41.6	177.6	-168.5	0	0	0	0	112.2	L166 S194 V195 R196 F201 A202 W216	L166-C198 HydrophobicContact CD2-CB 3.48Å; L166-C198 VanDerWaalsContact CD2-CB 3.48Å; S194-C198 PolarHBondContact O-N 2.67Å; V195-C198 PolarHBondContact O-N 3.25Å; R196-C198 PolarHBondContact O-N 3.02Å; C198-F201 WeakPolarHBondContact O-CB 3.47Å; C198-F201 PolarHBondContact O-N 3.28Å; C198-A202 PolarHBondContact O-N 2.96Å; C198-W216 HydrophobicContact CB-CD2 3.67Å; C198-W216 HydrophobicContact CB-CE3 4.03Å; C198-W216 HydrophobicContact CB-CG 4.14Å; C198-W216 HydrophobicContact CB-CH2 4.12Å; C198-W216 HydrophobicContact CB-CZ2 3.76Å; C198-W216 HydrophobicContact CB-CZ3 4.25Å
199	F	97.4	Very high	94.7	Very high	3 Å²	3	67 Å²	67	1%	0.013	35%	0.347	C	S	.	.	H	α-helix	trans	-77.4	-30	-178.6	-83.6	-104	0	0	0	113.3	C161 Q163 L166 V195 R196 S197 A202 N203 N204 K205 I208	C161-F199 WeakPolarHBondContact O-CZ 3.42Å; Q163-F199 HydrophobicContact CB-CE2 4.36Å; Q163-F199 HydrophobicContact CB-CZ 4.35Å; Q163-F199 HydrophobicContact CG-CB 4.37Å; Q163-F199 HydrophobicContact CG-CD1 3.49Å; Q163-F199 VanDerWaalsContact CG-CD1 3.49Å; Q163-F199 HydrophobicContact CG-CD2 3.7Å; Q163-F199 HydrophobicContact CG-CE1 3.59Å; Q163-F199 HydrophobicContact CG-CE2 3.78Å; Q163-F199 HydrophobicContact CG-CG 3.55Å; Q163-F199 HydrophobicContact CG-CZ 3.74Å; L166-F199 HydrophobicContact CB-CE2 4.16Å; L166-F199 HydrophobicContact CD2-CD2 4.05Å; L166-F199 HydrophobicContact CD2-CE2 3.72Å; V195-F199 HydrophobicContact CG1-CD2 4.18Å; V195-F199 HydrophobicContact CG1-CE2 4.44Å; V195-F199 WeakPolarHBondContact O-CD2 3.19Å; V195-F199 PolarHBondContact O-N 3.16Å; R196-F199 PolarHBondContact O-N 3.32Å; S197-F199 PolarHBondContact O-N 3.06Å; F199-A202 CarbonylContact O-C 3.6Å; F199-A202 WeakPolarHBondContact O-CB 3.36Å; F199-A202 PolarHBondContact O-N 3.28Å; F199-N203 PolarHBondContact O-N 3.3Å; F199-N204 VanDerWaalsContact O-CA 3.31Å; F199-N204 WeakPolarHBondContact O-CA 3.31Å; F199-N204 PolarHBondContact O-N 2.86Å; F199-K205 VanDerWaalsContact CD1-O 3.24Å; F199-K205 WeakPolarHBondContact CD1-O 3.34Å; F199-I208 HydrophobicContact CD1-CG2 4.4Å; F199-I208 HydrophobicContact CE1-CG2 4Å; F199-I208 HydrophobicContact CE2-CD1 4.12Å; F199-I208 HydrophobicContact CE2-CG1 4.4Å; F199-I208 HydrophobicContact CE2-CG2 4.39Å; F199-I208 HydrophobicContact CZ-CD1 4.36Å; F199-I208 HydrophobicContact CZ-CG1 4.14Å; F199-I208 HydrophobicContact CZ-CG2 4Å
200	Q	94.7	Very high	95.2	Very high	122 Å²	122	64.8 Å²	64.8	57%	0.57	33%	0.334	S	S	*	.	H	α-helix	trans	-64.2	-44.7	166.8	-74.2	168.8	-11.2	0	0	111.1	R196 S197 A202 N203	R196-Q200 WeakPolarHBondContact O-CB 3.22Å; R196-Q200 VanDerWaalsContact O-CG 3.24Å; R196-Q200 WeakPolarHBondContact O-CG 3.33Å; R196-Q200 PolarHBondContact O-N 2.89Å; S197-Q200 PolarHBondContact O-N 2.96Å; Q200-A202 PolarHBondContact O-N 2.89Å; Q200-N203 WeakPolarHBondContact O-CA 3.06Å; Q200-N203 PolarHBondContact O-N 2.98Å
201	F	90.6	Very high	95.5	Very high	94 Å²	94	64.1 Å²	64.1	41%	0.412	34%	0.338	S	S	.	.	H	α-helix	trans	-60.1	-33	171.6	175.4	-99.5	0	0	0	112.1	S197 C198 N203 L212 D215 W216 L219	S197-F201 WeakPolarHBondContact O-CB 3.39Å; S197-F201 PolarHBondContact O-N 3.37Å; C198-F201 WeakPolarHBondContact O-CB 3.47Å; C198-F201 PolarHBondContact O-N 3.28Å; F201-N203 PolarHBondContact O-N 3.14Å; F201-N203 VanDerWaalsContact O-N 3.15Å; F201-L212 HydrophobicContact CD1-CD2 3.88Å; F201-L212 HydrophobicContact CE1-CD2 4.11Å; F201-D215 HydrophobicContact CE1-CB 4.16Å; F201-D215 HydrophobicContact CZ-CB 4.12Å; F201-W216 HydrophobicContact CD1-CB 3.73Å; F201-W216 HydrophobicContact CD1-CG 4.26Å; F201-W216 HydrophobicContact CE1-CB 3.84Å; F201-L219 HydrophobicContact CD2-CD1 3.97Å; F201-L219 HydrophobicContact CE2-CD1 3.78Å; F201-L219 HydrophobicContact CZ-CD1 4.36Å
202	A	94.1	Very high	95.7	Very high	3 Å²	3	65.5 Å²	65.5	3%	0.025	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	6.7	171.6	0	0	0	0	0	115	C198 F199 Q200 N204 K205 I208 L212	C198-A202 PolarHBondContact O-N 2.96Å; F199-A202 CarbonylContact O-C 3.6Å; F199-A202 WeakPolarHBondContact O-CB 3.36Å; F199-A202 PolarHBondContact O-N 3.28Å; Q200-A202 PolarHBondContact O-N 2.89Å; A202-N204 VanDerWaalsContact C-N 3.31Å; A202-N204 PolarHBondContact O-N 3.28Å; A202-K205 WeakPolarHBondContact O-CD 3.3Å; A202-K205 WeakPolarHBondContact O-CG 3.28Å; A202-I208 HydrophobicContact CB-CG2 3.51Å; A202-L212 HydrophobicContact CB-CD1 3.82Å; A202-L212 HydrophobicContact CB-CD2 3.65Å; A202-L212 HydrophobicContact CB-CG 4.42Å
203	N	95.3	Very high	95.9	Very high	134 Å²	134	61 Å²	61	72%	0.717	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	42.1	-172.3	-165.6	72.5	0	0	0	112.8	F199 Q200 F201 K205	F199-N203 PolarHBondContact O-N 3.3Å; Q200-N203 WeakPolarHBondContact O-CA 3.06Å; Q200-N203 PolarHBondContact O-N 2.98Å; F201-N203 PolarHBondContact O-N 3.14Å; F201-N203 VanDerWaalsContact O-N 3.15Å; N203-K205 PolarHBondContact O-N 3.47Å
204	N	94.6	Very high	96.1	Very high	120 Å²	120	58.2 Å²	58.2	64%	0.642	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	29.2	176.8	-53.6	-63.1	0	0	0	115.1	F199 A202	F199-N204 VanDerWaalsContact O-CA 3.31Å; F199-N204 WeakPolarHBondContact O-CA 3.31Å; F199-N204 PolarHBondContact O-N 2.86Å; A202-N204 VanDerWaalsContact C-N 3.31Å; A202-N204 PolarHBondContact O-N 3.28Å
205	K	95.3	Very high	96	Very high	116 Å²	116	60.8 Å²	60.8	50%	0.504	32%	0.319	S	S	.	.			trans	-60.5	147.3	167.8	-71.3	173.5	-178.2	-179.4	0	110.6	F199 A202 N203 E207	F199-K205 VanDerWaalsContact CD1-O 3.24Å; F199-K205 WeakPolarHBondContact CD1-O 3.34Å; A202-K205 WeakPolarHBondContact O-CD 3.3Å; A202-K205 WeakPolarHBondContact O-CG 3.28Å; N203-K205 PolarHBondContact O-N 3.47Å; K205-E207 VanDerWaalsContact C-N 3.29Å; K205-E207 PolarHBondContact O-N 3.41Å
206	P	95.9	Very high	95.9	Very high	110 Å²	110	60.7 Å²	60.7	71%	0.714	32%	0.317	S	S	*	.	S	Bend	trans	-70.3	-25.1	-179.8	29	-35.7	0	0	0	113.4
207	E	97.8	Very high	95.7	Very high	82 Å²	82	54.9 Å²	54.9	38%	0.383	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	155.5	177.8	-60.7	-173.4	121.6	0	0	110.6	F160 C161 D162 K205	F160-E207 HydrophobicContact CB-CB 4.13Å; F160-E207 HydrophobicContact CD1-CB 4.32Å; C161-E207 CarbonylContact O-C 3.53Å; C161-E207 VanDerWaalsContact O-CA 3.31Å; C161-E207 WeakPolarHBondContact O-CA 3.38Å; D162-E207 HydrophobicContact CB-CG 4.42Å; K205-E207 VanDerWaalsContact C-N 3.29Å; K205-E207 PolarHBondContact O-N 3.41Å
208	I	98.3	Very high	95.3	Very high	3 Å²	3	59.4 Å²	59.4	2%	0.015	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	155.1	176.5	66.5	175	0	0	0	111.7	F151 F160 C161 L166 F199 A202 L212 F213	F151-I208 HydrophobicContact CE2-CD1 4.2Å; F151-I208 HydrophobicContact CE2-CG1 4.08Å; F151-I208 HydrophobicContact CZ-CG1 4.34Å; F160-I208 CarbonylContact C-O 3.58Å; C161-I208 HydrophobicContact CB-CG1 4.01Å; C161-I208 PolarHBondContact N-O 2.86Å; C161-I208 PolarHBondContact O-N 3.45Å; L166-I208 HydrophobicContact CD2-CD1 4.38Å; F199-I208 HydrophobicContact CD1-CG2 4.4Å; F199-I208 HydrophobicContact CE1-CG2 4Å; F199-I208 HydrophobicContact CE2-CD1 4.12Å; F199-I208 HydrophobicContact CE2-CG1 4.4Å; F199-I208 HydrophobicContact CE2-CG2 4.39Å; F199-I208 HydrophobicContact CZ-CD1 4.36Å; F199-I208 HydrophobicContact CZ-CG1 4.14Å; F199-I208 HydrophobicContact CZ-CG2 4Å; A202-I208 HydrophobicContact CB-CG2 3.51Å; I208-L212 HydrophobicContact CB-CD2 4.34Å; I208-L212 HydrophobicContact CG2-CD1 4.46Å; I208-L212 HydrophobicContact CG2-CD2 4.06Å; I208-F213 HydrophobicContact CD1-CB 4.26Å
209	E	98.1	Very high	94.9	Very high	105 Å²	105	64.9 Å²	64.9	49%	0.491	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	164.2	172.7	-68.2	176.3	-162.2	0	0	111.3	F151 F160 A211 L212 F213	F151-E209 VanDerWaalsContact CZ-C 3.48Å; F160-E209 HydrophobicContact CD1-CG 3.89Å; F160-E209 HydrophobicContact CE1-CG 3.58Å; F160-E209 WeakPolarHBondContact CE1-OE1 3.37Å; F160-E209 HydrophobicContact CZ-CG 4.31Å; E209-A211 PolarHBondContact O-N 2.79Å; E209-A211 VanDerWaalsContact O-N 3.16Å; E209-L212 PolarHBondContact O-N 3.38Å; E209-L212 VanDerWaalsContact O-N 3.11Å; E209-F213 PolarHBondContact O-N 2.86Å; E209-F213 VanDerWaalsContact O-N 3.12Å
210	A	97.8	Very high	94.5	Very high	29 Å²	29	67.4 Å²	67.4	24%	0.24	35%	0.345	C	S	.	.	H	α-helix	trans	-55.1	-35.7	-179.1	0	0	0	0	0	113.6	F151 F213 L214	F151-A210 HydrophobicContact CD1-CB 3.61Å; F151-A210 HydrophobicContact CE1-CB 3.72Å; F151-A210 VanDerWaalsContact CE1-N 3.29Å; F151-A210 HydrophobicContact CG-CB 4.34Å; A210-F213 PolarHBondContact O-N 3.06Å; A210-L214 VanDerWaalsContact O-CG 3.23Å; A210-L214 WeakPolarHBondContact O-CG 3.32Å; A210-L214 PolarHBondContact O-N 2.89Å
211	A	97.5	Very high	94.3	Very high	58 Å²	58	62.3 Å²	62.3	48%	0.479	32%	0.322	S	S	.	.	H	α-helix	trans	-62.5	-45.3	178.4	0	0	0	0	0	112.2	E209 L214 D215	E209-A211 PolarHBondContact O-N 2.79Å; E209-A211 VanDerWaalsContact O-N 3.16Å; A211-L214 PolarHBondContact O-N 3.37Å; A211-D215 PolarHBondContact O-N 2.79Å
212	L	97.6	Very high	94.1	Very high	35 Å²	35	60.3 Å²	60.3	18%	0.183	31%	0.314	C	S	.	.	H	α-helix	trans	-67.7	-41.2	179.5	-164.1	159.1	0	0	0	111	F201 A202 I208 E209 L214 D215 W216	F201-L212 HydrophobicContact CD1-CD2 3.88Å; F201-L212 HydrophobicContact CE1-CD2 4.11Å; A202-L212 HydrophobicContact CB-CD1 3.82Å; A202-L212 HydrophobicContact CB-CD2 3.65Å; A202-L212 HydrophobicContact CB-CG 4.42Å; I208-L212 HydrophobicContact CB-CD2 4.34Å; I208-L212 HydrophobicContact CG2-CD1 4.46Å; I208-L212 HydrophobicContact CG2-CD2 4.06Å; E209-L212 PolarHBondContact O-N 3.38Å; E209-L212 VanDerWaalsContact O-N 3.11Å; L212-L214 VanDerWaalsContact C-N 3.32Å; L212-L214 PolarHBondContact O-N 2.98Å; L212-D215 PolarHBondContact O-N 2.94Å; L212-W216 PolarHBondContact O-N 3.02Å
213	F	98.1	Very high	94.1	Very high	3 Å²	3	60.3 Å²	60.3	1%	0.013	31%	0.314	C	S	.	.	H	α-helix	trans	-57.8	-43.6	172.4	173	-107.5	0	0	0	111.8	F151 L166 L169 I208 E209 A210 W216 M217	F151-F213 HydrophobicContact CB-CD1 3.78Å; F151-F213 HydrophobicContact CB-CE1 3.89Å; F151-F213 HydrophobicContact CD2-CB 3.58Å; F151-F213 AromaticContact CD2-CD1 3.51Å; F151-F213 HydrophobicContact CD2-CD1 3.51Å; F151-F213 AromaticContact CD2-CD2 3.98Å; F151-F213 HydrophobicContact CD2-CD2 3.98Å; F151-F213 HydrophobicContact CD2-CE1 4.14Å; F151-F213 AromaticContact CD2-CG 3.4Å; F151-F213 HydrophobicContact CD2-CG 3.4Å; F151-F213 VanDerWaalsContact CD2-CG 3.4Å; F151-F213 HydrophobicContact CE2-CB 3.59Å; F151-F213 HydrophobicContact CE2-CD1 4.4Å; F151-F213 HydrophobicContact CE2-CD2 4.42Å; F151-F213 AromaticContact CE2-CG 3.9Å; F151-F213 HydrophobicContact CE2-CG 3.9Å; F151-F213 HydrophobicContact CG-CB 4.45Å; F151-F213 AromaticContact CG-CD1 3.92Å; F151-F213 HydrophobicContact CG-CD1 3.92Å; F151-F213 HydrophobicContact CG-CE1 4.45Å; F151-F213 HydrophobicContact CG-CG 4.25Å; F151-F213 HydrophobicContact CZ-CB 4.48Å; L166-F213 HydrophobicContact CD1-CD2 3.97Å; L166-F213 HydrophobicContact CD1-CE2 3.75Å; L169-F213 HydrophobicContact CD2-CE2 4.37Å; L169-F213 HydrophobicContact CD2-CZ 3.88Å; I208-F213 HydrophobicContact CD1-CB 4.26Å; E209-F213 PolarHBondContact O-N 2.86Å; E209-F213 VanDerWaalsContact O-N 3.12Å; A210-F213 PolarHBondContact O-N 3.06Å; F213-W216 HydrophobicContact CD2-CE3 4.16Å; F213-W216 HydrophobicContact CE2-CE3 4.17Å; F213-W216 HydrophobicContact CE2-CZ3 4.16Å; F213-W216 PolarHBondContact O-N 3.26Å; F213-M217 HydrophobicContact CD1-CG 4.26Å; F213-M217 HydrophobicContact CD2-CG 4.07Å; F213-M217 HydrophobicContact CE1-CG 3.9Å; F213-M217 HydrophobicContact CE2-CG 3.68Å; F213-M217 HydrophobicContact CE2-SD 3.8Å; F213-M217 HydrophobicContact CG-CG 4.35Å; F213-M217 HydrophobicContact CZ-CE 4.22Å; F213-M217 HydrophobicContact CZ-CG 3.6Å; F213-M217 HydrophobicContact CZ-SD 3.82Å; F213-M217 WeakPolarHBondContact O-CB 3.36Å; F213-M217 WeakPolarHBondContact O-CG 3.36Å; F213-M217 PolarHBondContact O-N 3.4Å
214	L	95.9	Very high	94.2	Very high	3 Å²	3	54.1 Å²	54.1	2%	0.016	28%	0.281	C	S	.	.	H	α-helix	trans	-63.8	-40.5	176.1	-69.8	173.7	0	0	0	112.8	E144 Y147 R148 A210 A211 L212 W216 M217 R218	E144-L214 HydrophobicContact CG-CD1 3.83Å; E144-L214 HydrophobicContact CG-CD2 3.7Å; E144-L214 HydrophobicContact CG-CG 4.34Å; Y147-L214 VanDerWaalsContact CB-CD2 3.41Å; Y147-L214 HydrophobicContact CD2-CD2 3.82Å; Y147-L214 HydrophobicContact CG-CD2 4.14Å; R148-L214 HydrophobicContact CG-CD1 3.81Å; R148-L214 HydrophobicContact CG-CD2 4.37Å; A210-L214 VanDerWaalsContact O-CG 3.23Å; A210-L214 WeakPolarHBondContact O-CG 3.32Å; A210-L214 PolarHBondContact O-N 2.89Å; A211-L214 PolarHBondContact O-N 3.37Å; L212-L214 VanDerWaalsContact C-N 3.32Å; L212-L214 PolarHBondContact O-N 2.98Å; L214-W216 VanDerWaalsContact C-N 3.34Å; L214-M217 PolarHBondContact O-N 3.41Å; L214-R218 VanDerWaalsContact O-CG 3.27Å; L214-R218 WeakPolarHBondContact O-CG 3.13Å; L214-R218 PolarHBondContact O-N 2.66Å
215	D	93	Very high	94.2	Very high	73 Å²	73	48.7 Å²	48.7	39%	0.39	25%	0.252	S	S	.	.	H	α-helix	trans	-65.5	-35.2	175.5	-75	-33.8	0	0	0	112.7	F201 A211 L212 R218	F201-D215 HydrophobicContact CE1-CB 4.16Å; F201-D215 HydrophobicContact CZ-CB 4.12Å; A211-D215 PolarHBondContact O-N 2.79Å; L212-D215 PolarHBondContact O-N 2.94Å; D215-R218 IonicContact OD1-CZ 3.55Å; D215-R218 IonicContact OD1-NH1 2.71Å; D215-R218 PolarHBondContact OD1-NH1 2.97Å
216	W	95.3	Very high	94.3	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.015	23%	0.228	C	C	.	.	H	α-helix	trans	-67	-44.4	170.5	-179.2	69.5	0	0	0	111.8	L170 S194 C198 F201 L212 F213 L214 R218 L219 P221	L170-W216 HydrophobicContact CD1-CH2 4.08Å; L170-W216 HydrophobicContact CD2-CH2 4.37Å; L170-W216 HydrophobicContact CD2-CZ3 4.36Å; S194-W216 VanDerWaalsContact O-CZ2 3.31Å; S194-W216 WeakPolarHBondContact O-CZ2 3.47Å; C198-W216 HydrophobicContact CB-CD2 3.67Å; C198-W216 HydrophobicContact CB-CE3 4.03Å; C198-W216 HydrophobicContact CB-CG 4.14Å; C198-W216 HydrophobicContact CB-CH2 4.12Å; C198-W216 HydrophobicContact CB-CZ2 3.76Å; C198-W216 HydrophobicContact CB-CZ3 4.25Å; F201-W216 HydrophobicContact CD1-CB 3.73Å; F201-W216 HydrophobicContact CD1-CG 4.26Å; F201-W216 HydrophobicContact CE1-CB 3.84Å; L212-W216 PolarHBondContact O-N 3.02Å; F213-W216 HydrophobicContact CD2-CE3 4.16Å; F213-W216 HydrophobicContact CE2-CE3 4.17Å; F213-W216 HydrophobicContact CE2-CZ3 4.16Å; F213-W216 PolarHBondContact O-N 3.26Å; L214-W216 VanDerWaalsContact C-N 3.34Å; W216-R218 PolarHBondContact O-N 2.88Å; W216-L219 VanDerWaalsContact O-CB 3.27Å; W216-L219 WeakPolarHBondContact O-CB 3.28Å; W216-L219 PolarHBondContact O-N 3.42Å; W216-P221 HydrophobicContact CD2-CB 4.38Å; W216-P221 HydrophobicContact CD2-CG 3.98Å; W216-P221 HydrophobicContact CE3-CG 3.94Å; W216-P221 HydrophobicContact CH2-CB 3.81Å; W216-P221 HydrophobicContact CH2-CG 3.69Å; W216-P221 HydrophobicContact CZ2-CB 3.43Å; W216-P221 VanDerWaalsContact CZ2-CB 3.43Å; W216-P221 HydrophobicContact CZ2-CG 3.72Å; W216-P221 HydrophobicContact CZ3-CB 4.42Å; W216-P221 HydrophobicContact CZ3-CG 3.8Å
217	M	92.1	Very high	94.3	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.01	19%	0.194	C	C	.	.	H	α-helix	trans	-66.8	-23.2	179.4	-66.7	-69	-71.6	0	0	113.3	Y147 F213 L214 L219 E220 P221 M224	Y147-M217 HydrophobicContact CD1-CE 3.72Å; Y147-M217 HydrophobicContact CD2-CB 3.83Å; Y147-M217 HydrophobicContact CD2-CE 4.43Å; Y147-M217 HydrophobicContact CD2-CG 4.36Å; Y147-M217 HydrophobicContact CE1-CE 3.26Å; Y147-M217 HydrophobicContact CE2-CB 3.56Å; Y147-M217 HydrophobicContact CE2-CE 4.05Å; Y147-M217 HydrophobicContact CE2-CG 4.35Å; Y147-M217 HydrophobicContact CG-CE 4.28Å; Y147-M217 VanDerWaalsContact CZ-CE 3.42Å; F213-M217 HydrophobicContact CD1-CG 4.26Å; F213-M217 HydrophobicContact CD2-CG 4.07Å; F213-M217 HydrophobicContact CE1-CG 3.9Å; F213-M217 HydrophobicContact CE2-CG 3.68Å; F213-M217 HydrophobicContact CE2-SD 3.8Å; F213-M217 HydrophobicContact CG-CG 4.35Å; F213-M217 HydrophobicContact CZ-CE 4.22Å; F213-M217 HydrophobicContact CZ-CG 3.6Å; F213-M217 HydrophobicContact CZ-SD 3.82Å; F213-M217 WeakPolarHBondContact O-CB 3.36Å; F213-M217 WeakPolarHBondContact O-CG 3.36Å; F213-M217 PolarHBondContact O-N 3.4Å; L214-M217 PolarHBondContact O-N 3.41Å; M217-L219 PolarHBondContact O-N 2.95Å; M217-E220 PolarHBondContact O-N 3.46Å; M217-E220 VanDerWaalsContact O-N 3.14Å; M217-P221 HydrophobicContact SD-CG 3.92Å; M217-M224 HydrophobicContact CE-CB 3.65Å; M217-M224 HydrophobicContact CE-CE 3.91Å; M217-M224 HydrophobicContact CE-CG 3.78Å; M217-M224 HydrophobicContact SD-CB 4.14Å; M217-M224 HydrophobicContact SD-CG 3.99Å
218	R	86.7	Confident	94.2	Very high	149 Å²	149	34.1 Å²	34.1	56%	0.562	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-11.6	169.8	-73.9	166.4	-174.9	165.7	-2.1	113.6	E144 L214 D215 W216 E220	E144-R218 IonicContact OE2-CZ 3.7Å; E144-R218 IonicContact OE2-NE 2.75Å; E144-R218 IonicContact OE2-NH2 3.21Å; E144-R218 PolarHBondContact OE2-NH2 3.21Å; L214-R218 VanDerWaalsContact O-CG 3.27Å; L214-R218 WeakPolarHBondContact O-CG 3.13Å; L214-R218 PolarHBondContact O-N 2.66Å; D215-R218 IonicContact OD1-CZ 3.55Å; D215-R218 IonicContact OD1-NH1 2.71Å; D215-R218 PolarHBondContact OD1-NH1 2.97Å; W216-R218 PolarHBondContact O-N 2.88Å; R218-E220 VanDerWaalsContact C-N 3.29Å
219	L	86.7	Confident	94	Very high	114 Å²	114	34 Å²	34	60%	0.597	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.3	0.8	170.1	-52.5	177.6	0	0	0	112.8	F201 W216 M217	F201-L219 HydrophobicContact CD2-CD1 3.97Å; F201-L219 HydrophobicContact CE2-CD1 3.78Å; F201-L219 HydrophobicContact CZ-CD1 4.36Å; W216-L219 VanDerWaalsContact O-CB 3.27Å; W216-L219 WeakPolarHBondContact O-CB 3.28Å; W216-L219 PolarHBondContact O-N 3.42Å; M217-L219 PolarHBondContact O-N 2.95Å
220	E	88.6	Confident	94	Very high	56 Å²	56	29.1 Å²	29.1	26%	0.262	15%	0.153	S	C	.	.			trans	49.1	61	-175.7	-57	-162.8	-177.1	0	0	113.2	M217 R218 V225 P228 R232	M217-E220 PolarHBondContact O-N 3.46Å; M217-E220 VanDerWaalsContact O-N 3.14Å; R218-E220 VanDerWaalsContact C-N 3.29Å; E220-V225 HydrophobicContact CB-CB 4.33Å; E220-V225 HydrophobicContact CB-CG2 3.96Å; E220-P228 HydrophobicContact CB-CG 4.33Å; E220-P228 HydrophobicContact CG-CB 4.26Å; E220-P228 HydrophobicContact CG-CG 3.85Å; E220-R232 IonicContact OE1-CZ 3.41Å; E220-R232 IonicContact OE1-NH1 2.71Å; E220-R232 PolarHBondContact OE1-NH1 3.15Å; E220-R232 IonicContact OE2-CZ 2.68Å; E220-R232 IonicContact OE2-NH1 3.3Å; E220-R232 PolarHBondContact OE2-NH1 3.22Å; E220-R232 IonicContact OE2-NH2 3.93Å
221	P	90.7	Very high	93.8	Very high	15 Å²	15	29.8 Å²	29.8	10%	0.097	15%	0.151	C	C	.	.			trans	-61.4	146.4	-175.8	25.6	-34	0	0	0	112.2	W216 M217 S223 M224 V225	W216-P221 HydrophobicContact CD2-CB 4.38Å; W216-P221 HydrophobicContact CD2-CG 3.98Å; W216-P221 HydrophobicContact CE3-CG 3.94Å; W216-P221 HydrophobicContact CH2-CB 3.81Å; W216-P221 HydrophobicContact CH2-CG 3.69Å; W216-P221 HydrophobicContact CZ2-CB 3.43Å; W216-P221 VanDerWaalsContact CZ2-CB 3.43Å; W216-P221 HydrophobicContact CZ2-CG 3.72Å; W216-P221 HydrophobicContact CZ3-CB 4.42Å; W216-P221 HydrophobicContact CZ3-CG 3.8Å; M217-P221 HydrophobicContact SD-CG 3.92Å; P221-S223 VanDerWaalsContact C-N 3.29Å; P221-S223 PolarHBondContact O-N 2.85Å; P221-S223 VanDerWaalsContact O-N 3.1Å; P221-M224 HydrophobicContact CG-CB 4.37Å; P221-M224 PolarHBondContact O-N 3.02Å; P221-V225 PolarHBondContact O-N 3.33Å
222	Q	87.6	Confident	93.6	Very high	53 Å²	53	28.6 Å²	28.6	25%	0.248	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-32	-162.5	-162.7	59.4	44.5	0	0	114.5	S185 F186 M224 V329	S185-Q222 PolarHBondContact O-NE2 3.47Å; F186-Q222 WeakPolarHBondContact CA-O 3.33Å; F186-Q222 WeakPolarHBondContact CB-O 3.15Å; F186-Q222 WeakPolarHBondContact CD1-O 3.43Å; F186-Q222 CarbonylContact O-C 3.5Å; Q222-M224 VanDerWaalsContact C-N 3.26Å; Q222-M224 PolarHBondContact O-N 2.89Å; Q222-V329 VanDerWaalsContact NE2-CG2 3.33Å
223	S	93.5	Very high	93.4	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.014	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-19.2	175.7	57.8	0	0	0	0	114.6	F186 S194 P221 W226	F186-S223 VanDerWaalsContact O-CA 3.27Å; F186-S223 WeakPolarHBondContact O-CA 3.48Å; F186-S223 PolarHBondContact O-N 3.44Å; S194-S223 WeakPolarHBondContact OG-CB 3.38Å; S194-S223 PolarHBondContact OG-OG 3.29Å; P221-S223 VanDerWaalsContact C-N 3.29Å; P221-S223 PolarHBondContact O-N 2.85Å; P221-S223 VanDerWaalsContact O-N 3.1Å; S223-W226 PolarHBondContact O-NE1 3.43Å
224	M	96.4	Very high	93.1	Very high	4 Å²	4	28.7 Å²	28.7	2%	0.02	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.3	-12.1	-171.6	-63	-58.5	-65.1	0	0	114.4	L170 S173 M217 P221 Q222 W226 L227 P228	L170-M224 HydrophobicContact CD2-CG 3.67Å; L170-M224 HydrophobicContact CD2-SD 3.68Å; S173-M224 WeakPolarHBondContact CB-SD 3.33Å; M217-M224 HydrophobicContact CE-CB 3.65Å; M217-M224 HydrophobicContact CE-CE 3.91Å; M217-M224 HydrophobicContact CE-CG 3.78Å; M217-M224 HydrophobicContact SD-CB 4.14Å; M217-M224 HydrophobicContact SD-CG 3.99Å; P221-M224 HydrophobicContact CG-CB 4.37Å; P221-M224 PolarHBondContact O-N 3.02Å; Q222-M224 VanDerWaalsContact C-N 3.26Å; Q222-M224 PolarHBondContact O-N 2.89Å; M224-W226 HydrophobicContact CE-CZ2 4.42Å; M224-W226 PolarHBondContact O-N 3.38Å; M224-L227 HydrophobicContact CE-CD2 4.39Å; M224-L227 PolarHBondContact O-N 2.97Å; M224-P228 WeakPolarHBondContact O-CD 3.39Å
225	V	94.9	Very high	92.7	Very high	6 Å²	6	30.3 Å²	30.3	4%	0.036	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-24.3	-173.9	63.4	0	0	0	0	114.6	F186 E220 P221 L227 P228 V229	F186-V225 HydrophobicContact CD1-CG1 3.85Å; F186-V225 HydrophobicContact CE1-CG1 3.84Å; E220-V225 HydrophobicContact CB-CB 4.33Å; E220-V225 HydrophobicContact CB-CG2 3.96Å; P221-V225 PolarHBondContact O-N 3.33Å; V225-L227 PolarHBondContact O-N 3.32Å; V225-P228 WeakPolarHBondContact O-CD 3.28Å; V225-P228 VanDerWaalsContact O-CG 3.32Å; V225-P228 WeakPolarHBondContact O-CG 3.46Å; V225-V229 HydrophobicContact CG2-CG2 3.92Å; V225-V229 WeakPolarHBondContact O-CG2 3.37Å; V225-V229 PolarHBondContact O-N 3.47Å
226	W	97.2	Very high	92.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-57.2	-31.6	172.3	58.6	-93.2	0	0	0	113.5	T40 L44 S173 I176 P177 F186 S223 M224 L230	T40-W226 HydrophobicContact CG2-CB 4.14Å; L44-W226 HydrophobicContact CD1-CD2 4.25Å; L44-W226 HydrophobicContact CD1-CE3 3.42Å; L44-W226 VanDerWaalsContact CD1-CE3 3.42Å; L44-W226 HydrophobicContact CD1-CZ3 3.95Å; S173-W226 WeakPolarHBondContact O-CZ2 3.43Å; I176-W226 HydrophobicContact CB-CH2 4.21Å; I176-W226 HydrophobicContact CB-CZ2 4.39Å; I176-W226 HydrophobicContact CD1-CH2 3.75Å; I176-W226 HydrophobicContact CD1-CZ2 4.35Å; I176-W226 HydrophobicContact CG2-CH2 4.11Å; I176-W226 HydrophobicContact CG2-CZ3 4.08Å; P177-W226 HydrophobicContact CG-CG 4.48Å; F186-W226 HydrophobicContact CD1-CB 4.44Å; F186-W226 HydrophobicContact CE1-CB 3.77Å; F186-W226 HydrophobicContact CE1-CG 4.44Å; F186-W226 HydrophobicContact CZ-CB 3.87Å; S223-W226 PolarHBondContact O-NE1 3.43Å; M224-W226 HydrophobicContact CE-CZ2 4.42Å; M224-W226 PolarHBondContact O-N 3.38Å; W226-L230 WeakPolarHBondContact O-CB 3.49Å; W226-L230 PolarHBondContact O-N 3.05Å
227	L	97.1	Very high	92.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-76.1	-48.7	-177.1	-173.4	49.2	0	0	0	113.7	S137 L143 Y147 M224 V225 V229 L230 H231	S137-L227 WeakPolarHBondContact O-CD1 3.42Å; L143-L227 HydrophobicContact CD1-CG 3.95Å; Y147-L227 HydrophobicContact CD1-CD2 4.48Å; Y147-L227 HydrophobicContact CE1-CD2 3.94Å; Y147-L227 HydrophobicContact CE1-CG 4.31Å; M224-L227 HydrophobicContact CE-CD2 4.39Å; M224-L227 PolarHBondContact O-N 2.97Å; V225-L227 PolarHBondContact O-N 3.32Å; L227-V229 VanDerWaalsContact C-N 3.3Å; L227-V229 PolarHBondContact O-N 3.32Å; L227-L230 HydrophobicContact CD1-CD2 4.3Å; L227-L230 WeakPolarHBondContact O-CB 3.38Å; L227-L230 PolarHBondContact O-N 3.47Å; L227-H231 WeakPolarHBondContact CD1-NE2 3.3Å; L227-H231 PolarHBondContact O-CD2 3.24Å; L227-H231 PolarHBondContact O-N 3.05Å
228	P	94.3	Very high	92	Very high	3 Å²	3	36 Å²	36	2%	0.019	19%	0.186	C	C	.	.	H	α-helix	trans	-61.6	-37.6	169.9	20.6	-28.3	0	0	0	111.9	L143 Y147 E220 M224 V225 L230 H231 R232	L143-P228 HydrophobicContact CD2-CB 3.8Å; Y147-P228 WeakPolarHBondContact OH-CD 3.48Å; E220-P228 HydrophobicContact CB-CG 4.33Å; E220-P228 HydrophobicContact CG-CB 4.26Å; E220-P228 HydrophobicContact CG-CG 3.85Å; M224-P228 WeakPolarHBondContact O-CD 3.39Å; V225-P228 WeakPolarHBondContact O-CD 3.28Å; V225-P228 VanDerWaalsContact O-CG 3.32Å; V225-P228 WeakPolarHBondContact O-CG 3.46Å; P228-L230 PolarHBondContact O-N 3.3Å; P228-H231 PolarHBondContact O-N 3.46Å; P228-R232 WeakPolarHBondContact O-CG 3.37Å; P228-R232 PolarHBondContact O-N 2.93Å
229	V	95.4	Very high	92.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-63.7	-40.1	176.7	-173.1	0	0	0	0	111.1	A37 Y38 A41 V225 L227 H231 R232 V233	A37-V229 HydrophobicContact CB-CG2 3.98Å; Y38-V229 HydrophobicContact CD1-CG1 3.68Å; Y38-V229 HydrophobicContact CD2-CG1 4.12Å; Y38-V229 HydrophobicContact CE1-CG1 3.71Å; Y38-V229 HydrophobicContact CE2-CG1 4.09Å; Y38-V229 HydrophobicContact CG-CG1 3.89Å; A41-V229 HydrophobicContact CB-CB 3.85Å; A41-V229 HydrophobicContact CB-CG1 3.52Å; V225-V229 HydrophobicContact CG2-CG2 3.92Å; V225-V229 WeakPolarHBondContact O-CG2 3.37Å; V225-V229 PolarHBondContact O-N 3.47Å; L227-V229 VanDerWaalsContact C-N 3.3Å; L227-V229 PolarHBondContact O-N 3.32Å; V229-H231 VanDerWaalsContact C-N 3.29Å; V229-H231 PolarHBondContact O-N 3.18Å; V229-R232 PolarHBondContact O-N 3.47Å; V229-R232 VanDerWaalsContact O-N 3.15Å; V229-V233 HydrophobicContact CG1-CG2 4.28Å; V229-V233 WeakPolarHBondContact O-CG2 3.43Å; V229-V233 PolarHBondContact O-N 2.91Å
230	L	97.2	Very high	92.3	Very high	2 Å²	2	29 Å²	29	1%	0.01	16%	0.155	C	C	.	.	H	α-helix	trans	-56.4	-40.9	173.3	172.5	62	0	0	0	112.3	A41 L44 R45 L138 W226 L227 P228 V233 A234	A41-L230 HydrophobicContact CB-CB 4.28Å; A41-L230 WeakPolarHBondContact O-CD1 3.37Å; L44-L230 HydrophobicContact CB-CD1 4.15Å; L44-L230 HydrophobicContact CB-CD2 4.26Å; R45-L230 HydrophobicContact CB-CD1 3.81Å; L138-L230 HydrophobicContact CD2-CD2 3.73Å; W226-L230 WeakPolarHBondContact O-CB 3.49Å; W226-L230 PolarHBondContact O-N 3.05Å; L227-L230 HydrophobicContact CD1-CD2 4.3Å; L227-L230 WeakPolarHBondContact O-CB 3.38Å; L227-L230 PolarHBondContact O-N 3.47Å; P228-L230 PolarHBondContact O-N 3.3Å; L230-V233 PolarHBondContact O-N 2.92Å; L230-A234 WeakPolarHBondContact O-CB 3.27Å; L230-A234 PolarHBondContact O-N 3Å
231	H	93.6	Very high	92.2	Very high	43 Å²	43	26.4 Å²	26.4	20%	0.199	14%	0.143	C	C	.	.	H	α-helix	trans	-68.8	-39.5	176	-76	-127	0	0	0	112.1	A141 H142 L143 K146 L227 P228 V229 A234 A235	A141-H231 VanDerWaalsContact C-CE1 3.44Å; A141-H231 PolarHBondContact O-CE1 3.17Å; H142-H231 PolarHBondContact O-CE1 3.12Å; L143-H231 WeakPolarHBondContact CA-CE1 3.42Å; L143-H231 PolarHBondContact N-CE1 3.47Å; K146-H231 WeakPolarHBondContact CD-CE1 3.45Å; K146-H231 WeakPolarHBondContact CD-NE2 3.42Å; K146-H231 WeakPolarHBondContact CE-CE1 3.18Å; K146-H231 WeakPolarHBondContact CE-NE2 3.27Å; K146-H231 PolarHBondContact NZ-NE2 3.36Å; L227-H231 WeakPolarHBondContact CD1-NE2 3.3Å; L227-H231 PolarHBondContact O-CD2 3.24Å; L227-H231 PolarHBondContact O-N 3.05Å; P228-H231 PolarHBondContact O-N 3.46Å; V229-H231 VanDerWaalsContact C-N 3.29Å; V229-H231 PolarHBondContact O-N 3.18Å; H231-A234 PolarHBondContact O-N 2.95Å; H231-A235 WeakPolarHBondContact O-CB 3.42Å; H231-A235 PolarHBondContact O-N 2.91Å
232	R	93.2	Very high	92.2	Very high	34 Å²	34	33.3 Å²	33.3	13%	0.128	17%	0.174	C	C	.	.	H	α-helix	trans	-66.7	-37.9	175.2	-61.9	-165.8	-51.5	-86.1	-5.4	112	Y38 E220 P228 V229 A235 A236 F256 E290 C292 Y326	Y38-R232 PolarHBondContact OH-NH2 3.2Å; E220-R232 IonicContact OE1-CZ 3.41Å; E220-R232 IonicContact OE1-NH1 2.71Å; E220-R232 PolarHBondContact OE1-NH1 3.15Å; E220-R232 IonicContact OE2-CZ 2.68Å; E220-R232 IonicContact OE2-NH1 3.3Å; E220-R232 PolarHBondContact OE2-NH1 3.22Å; E220-R232 IonicContact OE2-NH2 3.93Å; P228-R232 WeakPolarHBondContact O-CG 3.37Å; P228-R232 PolarHBondContact O-N 2.93Å; V229-R232 PolarHBondContact O-N 3.47Å; V229-R232 VanDerWaalsContact O-N 3.15Å; R232-A235 PolarHBondContact O-N 2.91Å; R232-A236 VanDerWaalsContact O-CB 3.3Å; R232-A236 WeakPolarHBondContact O-CB 3.45Å; R232-A236 PolarHBondContact O-N 2.9Å; R232-F256 HydrophobicContact CB-CE1 3.98Å; R232-F256 HydrophobicContact CB-CZ 4.06Å; R232-F256 WeakPolarHBondContact O-CZ 3.48Å; R232-E290 VanDerWaalsContact CD-OE1 3.29Å; R232-E290 WeakPolarHBondContact CD-OE1 3.4Å; R232-E290 IonicContact CZ-OE1 2.67Å; R232-E290 IonicContact NE-OE1 3.73Å; R232-E290 PolarHBondContact NE-OE1 3.22Å; R232-C292 HydrophobicContact CB-CB 4.29Å; R232-Y326 PolarHBondContact NE-OH 3.44Å; R232-Y326 PolarHBondContact NH2-OH 3.11Å
233	V	93.9	Very high	92.4	Very high	9 Å²	9	31.2 Å²	31.2	6%	0.055	17%	0.166	C	C	.	.	H	α-helix	trans	-61.2	-49	172.3	170	0	0	0	0	110.4	Y38 A41 M42 R45 V229 L230 A235 A236 E237 F256	Y38-V233 HydrophobicContact CD1-CG2 4.38Å; A41-V233 HydrophobicContact CB-CG2 3.86Å; M42-V233 HydrophobicContact CG-CG1 4.08Å; M42-V233 HydrophobicContact CG-CG2 4.21Å; R45-V233 HydrophobicContact CB-CG1 4.08Å; R45-V233 HydrophobicContact CG-CG1 4.07Å; V229-V233 HydrophobicContact CG1-CG2 4.28Å; V229-V233 WeakPolarHBondContact O-CG2 3.43Å; V229-V233 PolarHBondContact O-N 2.91Å; L230-V233 PolarHBondContact O-N 2.92Å; V233-A235 VanDerWaalsContact C-N 3.32Å; V233-A235 PolarHBondContact O-N 3.33Å; V233-A236 PolarHBondContact O-N 3.45Å; V233-E237 PolarHBondContact O-N 3.43Å; V233-F256 HydrophobicContact CB-CE2 4.47Å; V233-F256 HydrophobicContact CB-CZ 4.49Å; V233-F256 HydrophobicContact CG2-CE2 3.91Å; V233-F256 HydrophobicContact CG2-CZ 3.99Å
234	A	92.4	Very high	92.4	Very high	31 Å²	31	37 Å²	37	26%	0.256	19%	0.191	S	C	.	.	H	α-helix	trans	-62.2	-36	179	0	0	0	0	0	113.1	L230 H231	L230-A234 WeakPolarHBondContact O-CB 3.27Å; L230-A234 PolarHBondContact O-N 3Å; H231-A234 PolarHBondContact O-N 2.95Å
235	A	87.8	Confident	92.3	Very high	36 Å²	36	36.9 Å²	36.9	30%	0.298	19%	0.19	S	C	.	.	H	α-helix	trans	-69.6	-40.5	173.2	0	0	0	0	0	112.5	H231 R232 V233 E237 C292 T293	H231-A235 WeakPolarHBondContact O-CB 3.42Å; H231-A235 PolarHBondContact O-N 2.91Å; R232-A235 PolarHBondContact O-N 2.91Å; V233-A235 VanDerWaalsContact C-N 3.32Å; V233-A235 PolarHBondContact O-N 3.33Å; A235-E237 VanDerWaalsContact C-N 3.32Å; A235-E237 PolarHBondContact O-N 3.46Å; A235-C292 CarbonylContact C-O 3.22Å; A235-C292 HydrophobicContact CB-CB 4.5Å; A235-C292 WeakPolarHBondContact CB-O 3.49Å; A235-T293 HydrophobicContact CB-CG2 4.42Å
236	A	90.5	Very high	92.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65.2	-31.4	-177.6	0	0	0	0	0	113.1	R232 V233 T238 A239 G255 F256 C292	R232-A236 VanDerWaalsContact O-CB 3.3Å; R232-A236 WeakPolarHBondContact O-CB 3.45Å; R232-A236 PolarHBondContact O-N 2.9Å; V233-A236 PolarHBondContact O-N 3.45Å; A236-T238 PolarHBondContact O-N 3.07Å; A236-A239 WeakPolarHBondContact O-CB 3.35Å; A236-A239 PolarHBondContact O-N 3.29Å; A236-G255 VanDerWaalsContact O-CA 3.27Å; A236-G255 WeakPolarHBondContact O-CA 3.3Å; A236-F256 HydrophobicContact CB-CD1 3.98Å; A236-F256 HydrophobicContact CB-CD2 3.7Å; A236-F256 HydrophobicContact CB-CE1 3.99Å; A236-F256 HydrophobicContact CB-CE2 3.68Å; A236-F256 HydrophobicContact CB-CG 3.85Å; A236-F256 HydrophobicContact CB-CZ 3.84Å; A236-C292 WeakPolarHBondContact CA-O 3.49Å; A236-C292 HydrophobicContact CB-CB 4.08Å; A236-C292 PolarHBondContact N-O 3.39Å
237	E	89.3	Confident	92.1	Very high	73 Å²	73	39.6 Å²	39.6	34%	0.341	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-31.7	-177.7	-75.2	179.1	162.4	0	0	114.8	R45 K49 V233 A235	R45-E237 WeakPolarHBondContact CG-OE1 3.37Å; R45-E237 IonicContact CZ-OE1 3.7Å; R45-E237 IonicContact CZ-OE2 2.9Å; R45-E237 VanDerWaalsContact CZ-OE2 3.3Å; R45-E237 VanDerWaalsContact NE-CD 3.31Å; R45-E237 IonicContact NE-OE1 3.28Å; R45-E237 PolarHBondContact NE-OE1 2.99Å; R45-E237 IonicContact NE-OE2 2.77Å; R45-E237 PolarHBondContact NE-OE2 3.24Å; R45-E237 VanDerWaalsContact NE-OE2 3.08Å; R45-E237 IonicContact NH2-OE2 3.71Å; R45-E237 PolarHBondContact NH2-OE2 3.3Å; K49-E237 IonicContact NZ-OE1 2.85Å; K49-E237 PolarHBondContact NZ-OE1 2.9Å; K49-E237 IonicContact NZ-OE2 3.89Å; K49-E237 PolarHBondContact NZ-OE2 3.47Å; V233-E237 PolarHBondContact O-N 3.43Å; A235-E237 VanDerWaalsContact C-N 3.32Å; A235-E237 PolarHBondContact O-N 3.46Å
238	T	85.9	Confident	92	Very high	125 Å²	125	42.3 Å²	42.3	77%	0.767	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.5	0.2	177.9	60.8	0	0	0	0	113.3	A236	A236-T238 PolarHBondContact O-N 3.07Å
239	A	88.1	Confident	92.1	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.244	C	C	.	.			trans	-72.5	130.4	178.9	0	0	0	0	0	111.2	A236 I254 G255	A236-A239 WeakPolarHBondContact O-CB 3.35Å; A236-A239 PolarHBondContact O-N 3.29Å; A239-I254 WeakPolarHBondContact O-CA 3.3Å; A239-G255 PolarHBondContact O-N 2.78Å; A239-G255 VanDerWaalsContact O-N 3.08Å
240	K	89.8	Confident	92.1	Very high	117 Å²	117	51.4 Å²	51.4	51%	0.509	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	119.3	177.4	174.2	167	168.2	159.7	0	109.3	P252	K240-P252 HydrophobicContact CD-CG 4.34Å; K240-P252 HydrophobicContact CG-CB 4.08Å; K240-P252 HydrophobicContact CG-CG 4.29Å
241	H	88.2	Confident	91.8	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	130.6	-178.4	-59.7	-91	0	0	0	110.6	A243 P252 I253 R257 T293 T295	H241-A243 HydrophobicContact CB-CB 4.43Å; H241-A243 PolarHBondContact O-N 3.45Å; H241-P252 WeakPolarHBondContact O-CA 3.2Å; H241-P252 VanDerWaalsContact O-CB 3.23Å; H241-P252 WeakPolarHBondContact O-CB 3.44Å; H241-I253 HydrophobicContact CB-CB 4.32Å; H241-I253 PolarHBondContact N-O 3.02Å; H241-I253 PolarHBondContact O-N 3.36Å; H241-R257 HydrophobicContact CB-CB 4.4Å; H241-T293 PolarHBondContact CE1-O 3.31Å; H241-T295 PolarHBondContact ND1-OG1 3.4Å
242	Q	90.4	Very high	91.8	Very high	161 Å²	161	54.5 Å²	54.5	75%	0.752	29%	0.288	S	S	*	.	S	Bend	trans	-78.1	53.4	172.8	-56.8	-66.3	11.9	0	0	111.1
243	A	90.6	Very high	91.8	Very high	9 Å²	9	52.9 Å²	52.9	7%	0.074	28%	0.282	C	S	.	.			trans	-126.6	154	177.5	0	0	0	0	0	109.1	H241 I253 D267	H241-A243 HydrophobicContact CB-CB 4.43Å; H241-A243 PolarHBondContact O-N 3.45Å; A243-I253 HydrophobicContact CB-CD1 4.25Å; A243-I253 PolarHBondContact O-N 3.07Å; A243-D267 HydrophobicContact CB-CB 4.44Å
244	K	94.3	Very high	91.7	Very high	124 Å²	124	57.1 Å²	57.1	54%	0.539	30%	0.303	S	S	.	.			trans	-108.7	127.9	179.9	-178.8	164.7	-171.2	166.1	0	109.5	N246 K249 E250 C251	K244-N246 PolarHBondContact O-N 3.47Å; K244-N246 PolarHBondContact O-OD1 3.46Å; K244-K249 WeakPolarHBondContact CE-O 3.47Å; K244-E250 CarbonylContact C-O 3.59Å; K244-E250 WeakPolarHBondContact CA-O 3.22Å; K244-C251 HydrophobicContact CB-CB 3.91Å; K244-C251 HydrophobicContact CD-CB 4.35Å; K244-C251 HydrophobicContact CG-CB 3.96Å
245	C	94.8	Very high	91.6	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.293	C	S	.	.			trans	-64.2	121.3	178	-178.2	0	0	0	0	110.6	I247 C248 K249 E250 I253 C269	C245-I247 PolarHBondContact O-N 3.44Å; C245-I247 VanDerWaalsContact O-N 3.07Å; C245-C248 VanDerWaalsContact CB-SG 3.53Å; C245-C248 PolarHBondContact SG-SG 2.97Å; C245-K249 WeakPolarHBondContact O-CA 3.43Å; C245-K249 PolarHBondContact O-N 3.5Å; C245-E250 HydrophobicContact CB-CB 4.38Å; C245-E250 PolarHBondContact N-O 2.94Å; C245-I253 HydrophobicContact CB-CD1 4.22Å; C245-I253 HydrophobicContact CB-CG1 4.3Å; C245-C269 HydrophobicContact CB-CB 4.16Å; C245-C269 PolarHBondContact SG-N 3.42Å; C245-C269 VanDerWaalsContact SG-N 3.38Å
246	N	94.6	Very high	91.8	Very high	38 Å²	38	54.2 Å²	54.2	20%	0.203	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-16.5	179.2	-74.6	54.7	0	0	0	112.7	K244 K249 N265 Y266 D267	K244-N246 PolarHBondContact O-N 3.47Å; K244-N246 PolarHBondContact O-OD1 3.46Å; N246-K249 PolarHBondContact O-NZ 3.26Å; N246-N265 PolarHBondContact ND2-O 3.42Å; N246-Y266 HydrophobicContact CB-CD1 4.09Å; N246-Y266 HydrophobicContact CB-CD2 4.06Å; N246-Y266 HydrophobicContact CB-CE1 3.89Å; N246-Y266 HydrophobicContact CB-CE2 3.86Å; N246-Y266 HydrophobicContact CB-CG 4.15Å; N246-Y266 WeakPolarHBondContact ND2-CD2 3.35Å; N246-D267 WeakPolarHBondContact CB-O 3.23Å; N246-D267 PolarHBondContact N-O 3.09Å; N246-D267 PolarHBondContact OD1-N 3.12Å; N246-D267 PolarHBondContact OD1-O 3.34Å
247	I	93.8	Very high	91.8	Very high	25 Å²	25	54.6 Å²	54.6	13%	0.128	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-84.7	-180	-50.8	-167	0	0	0	110.1	C245 K249 I268 C272 R277 A279	C245-I247 PolarHBondContact O-N 3.44Å; C245-I247 VanDerWaalsContact O-N 3.07Å; I247-K249 VanDerWaalsContact C-N 3.25Å; I247-K249 WeakPolarHBondContact O-CD 2.97Å; I247-K249 WeakPolarHBondContact O-CE 3.32Å; I247-K249 PolarHBondContact O-N 3.29Å; I247-K249 PolarHBondContact O-NZ 3.47Å; I247-K249 VanDerWaalsContact O-NZ 3.15Å; I247-I268 HydrophobicContact CD1-CD1 4.26Å; I247-I268 HydrophobicContact CD1-CG1 4.45Å; I247-I268 HydrophobicContact CD1-CG2 4Å; I247-I268 HydrophobicContact CG1-CG2 4.44Å; I247-C272 HydrophobicContact CB-CB 4.13Å; I247-C272 HydrophobicContact CD1-CB 4.27Å; I247-C272 HydrophobicContact CG2-CB 4.34Å; I247-R277 WeakPolarHBondContact CD1-O 3.45Å; I247-R277 HydrophobicContact CG2-CB 4.14Å; I247-A279 HydrophobicContact CG1-CB 4.05Å; I247-A279 HydrophobicContact CG2-CB 4.49Å
248	C	94.7	Very high	91.8	Very high	57 Å²	57	51.3 Å²	51.3	39%	0.385	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-5.9	-177	61.3	0	0	0	0	115.9	C245 E250 C269	C245-C248 VanDerWaalsContact CB-SG 3.53Å; C245-C248 PolarHBondContact SG-SG 2.97Å; C248-E250 PolarHBondContact O-N 3.06Å; C248-E250 VanDerWaalsContact O-N 3.13Å; C248-E250 WeakPolarHBondContact SG-CB 3.35Å; C248-E250 PolarHBondContact SG-OE2 2.82Å; C248-C269 PolarHBondContact SG-SG 3.01Å
249	K	95.6	Very high	91.8	Very high	109 Å²	109	46.7 Å²	46.7	47%	0.474	23%	0.234	S	C	.	.			trans	66.5	2	-178.3	-39	-51.8	173.6	-160.5	0	115.9	K244 C245 N246 I247	K244-K249 WeakPolarHBondContact CE-O 3.47Å; C245-K249 WeakPolarHBondContact O-CA 3.43Å; C245-K249 PolarHBondContact O-N 3.5Å; N246-K249 PolarHBondContact O-NZ 3.26Å; I247-K249 VanDerWaalsContact C-N 3.25Å; I247-K249 WeakPolarHBondContact O-CD 2.97Å; I247-K249 WeakPolarHBondContact O-CE 3.32Å; I247-K249 PolarHBondContact O-N 3.29Å; I247-K249 PolarHBondContact O-NZ 3.47Å; I247-K249 VanDerWaalsContact O-NZ 3.15Å
250	E	94.8	Very high	91.6	Very high	86 Å²	86	46.7 Å²	46.7	40%	0.402	23%	0.234	S	C	.	.			trans	-51.1	134.5	170.5	-173.8	177.2	-161.7	0	0	111.9	K244 C245 C248 C269	K244-E250 CarbonylContact C-O 3.59Å; K244-E250 WeakPolarHBondContact CA-O 3.22Å; C245-E250 HydrophobicContact CB-CB 4.38Å; C245-E250 PolarHBondContact N-O 2.94Å; C248-E250 PolarHBondContact O-N 3.06Å; C248-E250 VanDerWaalsContact O-N 3.13Å; C248-E250 WeakPolarHBondContact SG-CB 3.35Å; C248-E250 PolarHBondContact SG-OE2 2.82Å; E250-C269 PolarHBondContact OE2-SG 3.17Å
251	C	92.4	Very high	91.1	Very high	73 Å²	73	42.3 Å²	42.3	49%	0.493	22%	0.216	S	C	.	.	S	Bend	trans	-159.4	129.1	-179.8	-173.9	0	0	0	0	108.1	K244	K244-C251 HydrophobicContact CB-CB 3.91Å; K244-C251 HydrophobicContact CD-CB 4.35Å; K244-C251 HydrophobicContact CG-CB 3.96Å
252	P	92.2	Very high	90.6	Very high	37 Å²	37	47.3 Å²	47.3	24%	0.24	24%	0.238	C	C	.	.	S	Bend	cis	-63.9	157.6	-4.3	31.9	-38.8	0	0	0	112.1	K240 H241 I254	K240-P252 HydrophobicContact CD-CG 4.34Å; K240-P252 HydrophobicContact CG-CB 4.08Å; K240-P252 HydrophobicContact CG-CG 4.29Å; H241-P252 WeakPolarHBondContact O-CA 3.2Å; H241-P252 VanDerWaalsContact O-CB 3.23Å; H241-P252 WeakPolarHBondContact O-CB 3.44Å; P252-I254 HydrophobicContact CG-CG1 4.41Å
253	I	93.6	Very high	90	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	125	164.9	-68	172.8	0	0	0	107.8	H241 A243 C245 R257 D267 C269	H241-I253 HydrophobicContact CB-CB 4.32Å; H241-I253 PolarHBondContact N-O 3.02Å; H241-I253 PolarHBondContact O-N 3.36Å; A243-I253 HydrophobicContact CB-CD1 4.25Å; A243-I253 PolarHBondContact O-N 3.07Å; C245-I253 HydrophobicContact CB-CD1 4.22Å; C245-I253 HydrophobicContact CB-CG1 4.3Å; I253-R257 HydrophobicContact CD1-CG 4.47Å; I253-R257 HydrophobicContact CG2-CB 4.27Å; I253-D267 HydrophobicContact CD1-CB 4.21Å; I253-C269 HydrophobicContact CD1-CB 4.34Å; I253-C269 HydrophobicContact CG1-CB 4.04Å; I253-C269 HydrophobicContact CG2-CB 3.88Å
254	I	91.6	Very high	89.4	Confident	97 Å²	97	47.6 Å²	47.6	50%	0.497	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	145.2	171.6	-55.2	174.8	0	0	0	107.5	A239 P252	A239-I254 WeakPolarHBondContact O-CA 3.3Å; P252-I254 HydrophobicContact CG-CG1 4.41Å
255	G	91.5	Very high	88.8	Confident	5 Å²	5	45.8 Å²	45.8	5%	0.052	23%	0.232	C	C	.	.	S	Bend	trans	80.1	-156.7	-169.2	0	0	0	0	0	111.8	A236 A239 R257	A236-G255 VanDerWaalsContact O-CA 3.27Å; A236-G255 WeakPolarHBondContact O-CA 3.3Å; A239-G255 PolarHBondContact O-N 2.78Å; A239-G255 VanDerWaalsContact O-N 3.08Å; G255-R257 PolarHBondContact O-N 3.44Å
256	F	91.4	Very high	88.4	Confident	1 Å²	1	46.1 Å²	46.1	0%	0.004	23%	0.233	C	C	.	.			trans	-61.6	133.7	179.2	-69.2	-84.1	0	0	0	113.3	Y38 R232 V233 A236 Y258 Q270 F274 E290 C292	Y38-F256 HydrophobicContact CD1-CE2 4.19Å; Y38-F256 HydrophobicContact CD1-CZ 4.22Å; Y38-F256 HydrophobicContact CE1-CE1 4.11Å; Y38-F256 HydrophobicContact CE1-CE2 4.06Å; Y38-F256 AromaticContact CE1-CZ 3.7Å; Y38-F256 HydrophobicContact CE1-CZ 3.7Å; R232-F256 HydrophobicContact CB-CE1 3.98Å; R232-F256 HydrophobicContact CB-CZ 4.06Å; R232-F256 WeakPolarHBondContact O-CZ 3.48Å; V233-F256 HydrophobicContact CB-CE2 4.47Å; V233-F256 HydrophobicContact CB-CZ 4.49Å; V233-F256 HydrophobicContact CG2-CE2 3.91Å; V233-F256 HydrophobicContact CG2-CZ 3.99Å; A236-F256 HydrophobicContact CB-CD1 3.98Å; A236-F256 HydrophobicContact CB-CD2 3.7Å; A236-F256 HydrophobicContact CB-CE1 3.99Å; A236-F256 HydrophobicContact CB-CE2 3.68Å; A236-F256 HydrophobicContact CB-CG 3.85Å; A236-F256 HydrophobicContact CB-CZ 3.84Å; F256-Y258 HydrophobicContact CB-CD2 4.12Å; F256-Y258 HydrophobicContact CB-CE2 3.37Å; F256-Y258 HydrophobicContact CG-CE2 4.12Å; F256-Y258 WeakPolarHBondContact CG-OH 3.44Å; F256-Q270 HydrophobicContact CB-CB 4.17Å; F256-Q270 HydrophobicContact CB-CG 4.45Å; F256-Q270 HydrophobicContact CD2-CG 4.08Å; F256-Q270 VanDerWaalsContact N-OE1 3.13Å; F256-Q270 PolarHBondContact O-N 2.96Å; F256-F274 AromaticContact CD2-CZ 3.9Å; F256-F274 HydrophobicContact CD2-CZ 3.9Å; F256-F274 HydrophobicContact CE2-CZ 4.08Å; F256-E290 HydrophobicContact CD1-CG 3.64Å; F256-E290 VanDerWaalsContact CE1-CD 3.45Å; F256-E290 HydrophobicContact CE1-CG 3.98Å; F256-E290 VanDerWaalsContact CE1-OE1 3.31Å; F256-E290 WeakPolarHBondContact CE1-OE1 3.49Å; F256-C292 HydrophobicContact CD1-CB 3.83Å; F256-C292 HydrophobicContact CE1-CB 3.59Å
257	R	90.9	Very high	88.2	Confident	9 Å²	9	44.5 Å²	44.5	3%	0.034	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	125	164.1	174.6	-170.8	-178.1	-174.3	5.8	109.2	H241 I253 G255 D267 Y291 T295 D300	H241-R257 HydrophobicContact CB-CB 4.4Å; I253-R257 HydrophobicContact CD1-CG 4.47Å; I253-R257 HydrophobicContact CG2-CB 4.27Å; G255-R257 PolarHBondContact O-N 3.44Å; R257-D267 IonicContact CZ-OD1 3.41Å; R257-D267 IonicContact CZ-OD2 3.67Å; R257-D267 IonicContact NE-OD1 2.75Å; R257-D267 PolarHBondContact NE-OD1 3.29Å; R257-D267 IonicContact NE-OD2 3.63Å; R257-D267 IonicContact NH2-OD1 2.74Å; R257-D267 PolarHBondContact NH2-OD1 2.89Å; R257-D267 IonicContact NH2-OD2 3.59Å; R257-D267 PolarHBondContact NH2-OD2 3.07Å; R257-Y291 HydrophobicContact CB-CD2 4.23Å; R257-Y291 HydrophobicContact CG-CD2 3.97Å; R257-Y291 PolarHBondContact N-O 2.88Å; R257-Y291 VanDerWaalsContact N-O 3.09Å; R257-Y291 WeakPolarHBondContact O-CD2 2.82Å; R257-Y291 PolarHBondContact O-N 3.45Å; R257-T295 PolarHBondContact NH1-OG1 3.42Å; R257-D300 IonicContact NH1-OD1 3.23Å; R257-D300 IonicContact NH1-OD2 3.52Å; R257-D300 IonicContact NH2-OD1 2.84Å
258	Y	89.5	Confident	88.1	Confident	4 Å²	4	43.3 Å²	43.3	2%	0.016	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	115.8	173.7	-65	-82.1	0	0	0	110.4	F256 D267 I268 F273 F274 M288 V289 E290	F256-Y258 HydrophobicContact CB-CD2 4.12Å; F256-Y258 HydrophobicContact CB-CE2 3.37Å; F256-Y258 HydrophobicContact CG-CE2 4.12Å; F256-Y258 WeakPolarHBondContact CG-OH 3.44Å; Y258-D267 CarbonylContact O-C 3.58Å; Y258-D267 WeakPolarHBondContact O-CA 3.35Å; Y258-I268 PolarHBondContact N-O 3.08Å; Y258-I268 PolarHBondContact O-N 3.37Å; Y258-F273 AromaticContact CD1-CD1 3.99Å; Y258-F273 HydrophobicContact CD1-CD1 3.99Å; Y258-F273 HydrophobicContact CD1-CD2 4.33Å; Y258-F273 AromaticContact CD1-CE1 3.94Å; Y258-F273 HydrophobicContact CD1-CE1 3.94Å; Y258-F273 HydrophobicContact CD1-CE2 4.28Å; Y258-F273 HydrophobicContact CD1-CG 4.2Å; Y258-F273 HydrophobicContact CD1-CZ 4.09Å; Y258-F273 HydrophobicContact CD2-CB 3.51Å; Y258-F273 AromaticContact CD2-CD1 3.64Å; Y258-F273 HydrophobicContact CD2-CD1 3.64Å; Y258-F273 HydrophobicContact CD2-CD2 4.21Å; Y258-F273 HydrophobicContact CD2-CE1 4.41Å; Y258-F273 AromaticContact CD2-CG 3.52Å; Y258-F273 HydrophobicContact CD2-CG 3.52Å; Y258-F273 AromaticContact CE1-CD1 3.68Å; Y258-F273 HydrophobicContact CE1-CD1 3.68Å; Y258-F273 AromaticContact CE1-CE1 3.52Å; Y258-F273 HydrophobicContact CE1-CE1 3.52Å; Y258-F273 HydrophobicContact CE1-CG 4.34Å; Y258-F273 HydrophobicContact CE1-CZ 4.05Å; Y258-F273 HydrophobicContact CE2-CB 3.78Å; Y258-F273 AromaticContact CE2-CD1 3.29Å; Y258-F273 HydrophobicContact CE2-CD1 3.29Å; Y258-F273 HydrophobicContact CE2-CE1 4.03Å; Y258-F273 AromaticContact CE2-CG 3.68Å; Y258-F273 HydrophobicContact CE2-CG 3.68Å; Y258-F273 HydrophobicContact CG-CB 4.19Å; Y258-F273 AromaticContact CG-CD1 3.98Å; Y258-F273 HydrophobicContact CG-CD1 3.98Å; Y258-F273 HydrophobicContact CG-CD2 4.04Å; Y258-F273 HydrophobicContact CG-CE1 4.37Å; Y258-F273 HydrophobicContact CG-CE2 4.43Å; Y258-F273 AromaticContact CG-CG 3.8Å; Y258-F273 HydrophobicContact CG-CG 3.8Å; Y258-F273 AromaticContact CZ-CD1 3.35Å; Y258-F273 AromaticContact CZ-CE1 3.59Å; Y258-F274 HydrophobicContact CE2-CE1 4.32Å; Y258-F274 WeakPolarHBondContact OH-CE1 3.44Å; Y258-M288 WeakPolarHBondContact O-CE 3.27Å; Y258-V289 CarbonylContact C-O 3.52Å; Y258-V289 WeakPolarHBondContact CA-O 3.16Å; Y258-E290 HydrophobicContact CD1-CB 4.12Å; Y258-E290 HydrophobicContact CD1-CG 4.38Å; Y258-E290 HydrophobicContact CE1-CB 3.84Å; Y258-E290 HydrophobicContact CE1-CG 3.75Å; Y258-E290 WeakPolarHBondContact CE1-OE2 3.25Å; Y258-E290 PolarHBondContact OH-OE2 2.76Å
259	R	85.4	Confident	88.1	Confident	27 Å²	27	40.7 Å²	40.7	10%	0.102	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	130.9	-179	-165.1	-179.2	-148	175.4	13.5	112.2	N265 Y266 D267 M288 V289 Y291 D300	R259-N265 PolarHBondContact NH2-OD1 2.9Å; R259-Y266 CarbonylContact C-O 3.55Å; R259-Y266 WeakPolarHBondContact CA-O 3.32Å; R259-D267 VanDerWaalsContact CB-OD1 3.26Å; R259-D267 WeakPolarHBondContact CB-OD1 3.41Å; R259-D267 VanDerWaalsContact CG-OD1 3.29Å; R259-D267 WeakPolarHBondContact CG-OD1 3.21Å; R259-D267 IonicContact NE-OD1 2.71Å; R259-D267 IonicContact NE-OD2 2.81Å; R259-M288 CarbonylContact O-C 3.5Å; R259-M288 VanDerWaalsContact O-CA 3.29Å; R259-M288 WeakPolarHBondContact O-CA 3.49Å; R259-V289 PolarHBondContact N-O 3.39Å; R259-V289 PolarHBondContact O-N 3.26Å; R259-Y291 HydrophobicContact CB-CE2 3.79Å; R259-D300 IonicContact CZ-OD1 3.94Å; R259-D300 IonicContact NH1-OD1 3.98Å; R259-D300 PolarHBondContact NH1-OD1 2.98Å; R259-D300 IonicContact NH2-OD1 3.78Å; R259-D300 PolarHBondContact NH2-OD1 2.81Å
260	S	84.4	Confident	87.9	Confident	1 Å²	1	37.8 Å²	37.8	1%	0.007	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	132.6	177.6	-165	0	0	0	0	111.9	K262 H263 Y266 H282 M288	S260-K262 VanDerWaalsContact C-N 3.32Å; S260-K262 PolarHBondContact OG-N 3.45Å; S260-H263 PolarHBondContact OG-N 3.33Å; S260-H263 VanDerWaalsContact OG-N 3.13Å; S260-Y266 PolarHBondContact N-O 2.98Å; S260-H282 PolarHBondContact OG-NE2 3.44Å; S260-M288 VanDerWaalsContact CA-SD 3.55Å
261	L	78.4	Confident	87.7	Confident	25 Å²	25	36.8 Å²	36.8	13%	0.131	19%	0.191	C	C	.	.	S	Bend	trans	-84.3	-8	168.1	-71.1	172.4	0	0	0	112.8	P287 V289 K306 V307	L261-P287 HydrophobicContact CB-CB 4.31Å; L261-P287 HydrophobicContact CB-CG 4.18Å; L261-P287 WeakPolarHBondContact CB-O 3.46Å; L261-P287 HydrophobicContact CD1-CB 4.31Å; L261-P287 PolarHBondContact N-O 3.48Å; L261-V289 HydrophobicContact CD1-CG2 3.83Å; L261-V289 HydrophobicContact CD2-CG2 3.64Å; L261-V289 HydrophobicContact CG-CG2 3.75Å; L261-K306 HydrophobicContact CD2-CB 4.43Å; L261-V307 HydrophobicContact CD2-CG2 3.94Å
262	K	77.6	Confident	87.6	Confident	105 Å²	105	33.4 Å²	33.4	46%	0.457	17%	0.168	S	C	.	.	S	Bend	trans	-97.4	-47.9	175.3	-168.1	-173.1	175.6	179.9	0	111.8	S260 Y286	S260-K262 VanDerWaalsContact C-N 3.32Å; S260-K262 PolarHBondContact OG-N 3.45Å; K262-Y286 HydrophobicContact CB-CD2 4.5Å; K262-Y286 HydrophobicContact CB-CG 4.45Å; K262-Y286 HydrophobicContact CD-CD1 3.77Å; K262-Y286 HydrophobicContact CD-CD2 3.75Å; K262-Y286 HydrophobicContact CD-CE1 3.78Å; K262-Y286 HydrophobicContact CD-CE2 3.75Å; K262-Y286 HydrophobicContact CD-CG 3.77Å; K262-Y286 VanDerWaalsContact NZ-CE1 3.26Å; K262-Y286 PolarHBondContact NZ-OH 2.88Å
263	H	78.5	Confident	87.5	Confident	45 Å²	45	32.1 Å²	32.1	21%	0.208	16%	0.159	C	C	.	.	S	Bend	trans	-97.1	124.8	-175.7	-66.8	-175.2	0	0	0	111	S260 N265 Y266 H282 Y286	S260-H263 PolarHBondContact OG-N 3.33Å; S260-H263 VanDerWaalsContact OG-N 3.13Å; H263-N265 PolarHBondContact O-N 3.37Å; H263-Y266 HydrophobicContact CB-CD2 4.09Å; H263-Y266 HydrophobicContact CB-CG 4.02Å; H263-Y266 PolarHBondContact O-N 3.09Å; H263-H282 AromaticContact ND1-CD2 3.71Å; H263-Y286 AromaticContact CE1-CE2 3.7Å; H263-Y286 AromaticContact NE2-CE2 3.51Å
264	F	76.7	Confident	87.3	Confident	132 Å²	132	32.6 Å²	32.6	58%	0.579	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	130.2	-178.6	-179.4	-99.2	0	0	0	111.4	Y266 F304	F264-Y266 PolarHBondContact O-N 3.21Å; F264-F304 HydrophobicContact CE2-CD2 4.05Å; F264-F304 AromaticContact CE2-CE2 3.97Å; F264-F304 HydrophobicContact CE2-CE2 3.97Å
265	N	81.6	Confident	87	Confident	85 Å²	85	31.1 Å²	31.1	46%	0.455	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.8	47.4	-177.5	-148.7	53.9	0	0	0	113.8	N246 R259 H263	N246-N265 PolarHBondContact ND2-O 3.42Å; R259-N265 PolarHBondContact NH2-OD1 2.9Å; H263-N265 PolarHBondContact O-N 3.37Å
266	Y	87.4	Confident	86.6	Confident	8 Å²	8	31.6 Å²	31.6	3%	0.031	16%	0.164	C	C	.	.			trans	-105.3	104	174.3	-165	-70.3	0	0	0	109.7	N246 R259 S260 H263 F264 I268 A279 K280 H282	N246-Y266 HydrophobicContact CB-CD1 4.09Å; N246-Y266 HydrophobicContact CB-CD2 4.06Å; N246-Y266 HydrophobicContact CB-CE1 3.89Å; N246-Y266 HydrophobicContact CB-CE2 3.86Å; N246-Y266 HydrophobicContact CB-CG 4.15Å; N246-Y266 WeakPolarHBondContact ND2-CD2 3.35Å; R259-Y266 CarbonylContact C-O 3.55Å; R259-Y266 WeakPolarHBondContact CA-O 3.32Å; S260-Y266 PolarHBondContact N-O 2.98Å; H263-Y266 HydrophobicContact CB-CD2 4.09Å; H263-Y266 HydrophobicContact CB-CG 4.02Å; H263-Y266 PolarHBondContact O-N 3.09Å; F264-Y266 PolarHBondContact O-N 3.21Å; Y266-I268 HydrophobicContact CD1-CD1 4.3Å; Y266-I268 HydrophobicContact CD1-CG1 3.99Å; Y266-I268 HydrophobicContact CE1-CD1 3.76Å; Y266-I268 HydrophobicContact CE1-CG1 3.66Å; Y266-A279 PolarHBondContact OH-O 3.17Å; Y266-K280 HydrophobicContact CE2-CB 4.4Å; Y266-H282 AromaticContact CD1-CD2 3.59Å; Y266-H282 HydrophobicContact CE1-CB 3.89Å; Y266-H282 AromaticContact CE1-CD2 3.59Å; Y266-H282 AromaticContact CE1-CG 3.67Å; Y266-H282 HydrophobicContact CE2-CB 3.88Å; Y266-H282 VanDerWaalsContact CZ-CB 3.49Å; Y266-H282 AromaticContact CZ-CG 3.83Å
267	D	90.3	Very high	86.3	Confident	3 Å²	3	36.8 Å²	36.8	2%	0.016	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	144.8	-178.1	-77.3	-65.3	0	0	0	111.1	A243 N246 I253 R257 Y258 R259	A243-D267 HydrophobicContact CB-CB 4.44Å; N246-D267 WeakPolarHBondContact CB-O 3.23Å; N246-D267 PolarHBondContact N-O 3.09Å; N246-D267 PolarHBondContact OD1-N 3.12Å; N246-D267 PolarHBondContact OD1-O 3.34Å; I253-D267 HydrophobicContact CD1-CB 4.21Å; R257-D267 IonicContact CZ-OD1 3.41Å; R257-D267 IonicContact CZ-OD2 3.67Å; R257-D267 IonicContact NE-OD1 2.75Å; R257-D267 PolarHBondContact NE-OD1 3.29Å; R257-D267 IonicContact NE-OD2 3.63Å; R257-D267 IonicContact NH2-OD1 2.74Å; R257-D267 PolarHBondContact NH2-OD1 2.89Å; R257-D267 IonicContact NH2-OD2 3.59Å; R257-D267 PolarHBondContact NH2-OD2 3.07Å; Y258-D267 CarbonylContact O-C 3.58Å; Y258-D267 WeakPolarHBondContact O-CA 3.35Å; R259-D267 VanDerWaalsContact CB-OD1 3.26Å; R259-D267 WeakPolarHBondContact CB-OD1 3.41Å; R259-D267 VanDerWaalsContact CG-OD1 3.29Å; R259-D267 WeakPolarHBondContact CG-OD1 3.21Å; R259-D267 IonicContact NE-OD1 2.71Å; R259-D267 IonicContact NE-OD2 2.81Å
268	I	92.2	Very high	86	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	132.3	-179.3	-45.5	-178.6	0	0	0	108.4	I247 Y258 Y266 C272 F273 M284 M288	I247-I268 HydrophobicContact CD1-CD1 4.26Å; I247-I268 HydrophobicContact CD1-CG1 4.45Å; I247-I268 HydrophobicContact CD1-CG2 4Å; I247-I268 HydrophobicContact CG1-CG2 4.44Å; Y258-I268 PolarHBondContact N-O 3.08Å; Y258-I268 PolarHBondContact O-N 3.37Å; Y266-I268 HydrophobicContact CD1-CD1 4.3Å; Y266-I268 HydrophobicContact CD1-CG1 3.99Å; Y266-I268 HydrophobicContact CE1-CD1 3.76Å; Y266-I268 HydrophobicContact CE1-CG1 3.66Å; I268-C272 HydrophobicContact CG2-CB 3.47Å; I268-C272 VanDerWaalsContact CG2-CB 3.47Å; I268-F273 HydrophobicContact CG2-CB 4.14Å; I268-M284 HydrophobicContact CD1-CE 3.89Å; I268-M288 HydrophobicContact CD1-CE 3.63Å; I268-M288 HydrophobicContact CG1-CE 3.98Å
269	C	93.3	Very high	85.8	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.014	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	158	173	70.3	0	0	0	0	111.9	C245 C248 E250 I253 S271 C272 F273	C245-C269 HydrophobicContact CB-CB 4.16Å; C245-C269 PolarHBondContact SG-N 3.42Å; C245-C269 VanDerWaalsContact SG-N 3.38Å; C248-C269 PolarHBondContact SG-SG 3.01Å; E250-C269 PolarHBondContact OE2-SG 3.17Å; I253-C269 HydrophobicContact CD1-CB 4.34Å; I253-C269 HydrophobicContact CG1-CB 4.04Å; I253-C269 HydrophobicContact CG2-CB 3.88Å; C269-S271 VanDerWaalsContact C-N 3.31Å; C269-S271 PolarHBondContact O-N 3.34Å; C269-C272 PolarHBondContact O-N 3.17Å; C269-F273 PolarHBondContact O-N 2.92Å
270	Q	91.3	Very high	85.4	Confident	48 Å²	48	48.5 Å²	48.5	22%	0.224	25%	0.248	C	C	.	.	H	α-helix	trans	-39.6	-53	173.7	-173.8	175.2	-45.9	0	0	114	F256 C272 F273 F274	F256-Q270 HydrophobicContact CB-CB 4.17Å; F256-Q270 HydrophobicContact CB-CG 4.45Å; F256-Q270 HydrophobicContact CD2-CG 4.08Å; F256-Q270 VanDerWaalsContact N-OE1 3.13Å; F256-Q270 PolarHBondContact O-N 2.96Å; Q270-C272 VanDerWaalsContact C-N 3.35Å; Q270-C272 PolarHBondContact O-N 2.99Å; Q270-F273 PolarHBondContact O-N 2.78Å; Q270-F274 HydrophobicContact CG-CD2 3.69Å; Q270-F274 HydrophobicContact CG-CE2 3.31Å; Q270-F274 HydrophobicContact CG-CG 4.47Å; Q270-F274 HydrophobicContact CG-CZ 3.82Å; Q270-F274 WeakPolarHBondContact O-CB 3.47Å; Q270-F274 WeakPolarHBondContact O-CG 3.32Å; Q270-F274 PolarHBondContact O-N 2.85Å
271	S	91.5	Very high	84.7	Confident	66 Å²	66	51.1 Å²	51.1	46%	0.462	28%	0.275	S	S	.	.	H	α-helix	trans	-64.8	-33.9	-178.1	-175.2	0	0	0	0	113.4	C269 S275 R277	C269-S271 VanDerWaalsContact C-N 3.31Å; C269-S271 PolarHBondContact O-N 3.34Å; S271-S275 WeakPolarHBondContact O-CB 3.33Å; S271-S275 PolarHBondContact O-N 2.9Å; S271-S275 PolarHBondContact O-OG 2.73Å; S271-R277 PolarHBondContact O-NH2 2.69Å; S271-R277 PolarHBondContact OG-NH2 3.1Å
272	C	91.2	Very high	84.6	Confident	1 Å²	1	50 Å²	50	1%	0.007	27%	0.269	C	S	.	.	H	α-helix	trans	-75.7	-38.4	176	-73.7	0	0	0	0	111.9	I247 I268 C269 Q270 G276 R277	I247-C272 HydrophobicContact CB-CB 4.13Å; I247-C272 HydrophobicContact CD1-CB 4.27Å; I247-C272 HydrophobicContact CG2-CB 4.34Å; I268-C272 HydrophobicContact CG2-CB 3.47Å; I268-C272 VanDerWaalsContact CG2-CB 3.47Å; C269-C272 PolarHBondContact O-N 3.17Å; Q270-C272 VanDerWaalsContact C-N 3.35Å; Q270-C272 PolarHBondContact O-N 2.99Å; C272-G276 PolarHBondContact O-N 3.34Å; C272-R277 PolarHBondContact O-N 3.37Å
273	F	89.4	Confident	84.5	Confident	11 Å²	11	48.7 Å²	48.7	5%	0.048	26%	0.264	C	S	.	.	H	α-helix	trans	-70.1	-47.8	179.8	-175	-107.4	0	0	0	112.4	F35 Y258 I268 C269 Q270 S275 G276 M284	F35-F273 HydrophobicContact CD2-CD1 4.29Å; F35-F273 AromaticContact CD2-CE1 3.9Å; F35-F273 HydrophobicContact CD2-CE1 3.9Å; F35-F273 HydrophobicContact CD2-CZ 4.48Å; F35-F273 HydrophobicContact CE1-CZ 4.43Å; F35-F273 AromaticContact CE2-CD1 3.8Å; F35-F273 HydrophobicContact CE2-CD1 3.8Å; F35-F273 AromaticContact CE2-CE1 3.41Å; F35-F273 HydrophobicContact CE2-CE1 3.41Å; F35-F273 VanDerWaalsContact CE2-CE1 3.41Å; F35-F273 HydrophobicContact CE2-CE2 4.23Å; F35-F273 HydrophobicContact CE2-CG 4.36Å; F35-F273 AromaticContact CE2-CZ 3.65Å; F35-F273 HydrophobicContact CE2-CZ 3.65Å; F35-F273 AromaticContact CZ-CE1 3.88Å; F35-F273 HydrophobicContact CZ-CE1 3.88Å; F35-F273 HydrophobicContact CZ-CE2 4.14Å; F35-F273 AromaticContact CZ-CZ 3.62Å; F35-F273 HydrophobicContact CZ-CZ 3.62Å; Y258-F273 AromaticContact CD1-CD1 3.99Å; Y258-F273 HydrophobicContact CD1-CD1 3.99Å; Y258-F273 HydrophobicContact CD1-CD2 4.33Å; Y258-F273 AromaticContact CD1-CE1 3.94Å; Y258-F273 HydrophobicContact CD1-CE1 3.94Å; Y258-F273 HydrophobicContact CD1-CE2 4.28Å; Y258-F273 HydrophobicContact CD1-CG 4.2Å; Y258-F273 HydrophobicContact CD1-CZ 4.09Å; Y258-F273 HydrophobicContact CD2-CB 3.51Å; Y258-F273 AromaticContact CD2-CD1 3.64Å; Y258-F273 HydrophobicContact CD2-CD1 3.64Å; Y258-F273 HydrophobicContact CD2-CD2 4.21Å; Y258-F273 HydrophobicContact CD2-CE1 4.41Å; Y258-F273 AromaticContact CD2-CG 3.52Å; Y258-F273 HydrophobicContact CD2-CG 3.52Å; Y258-F273 AromaticContact CE1-CD1 3.68Å; Y258-F273 HydrophobicContact CE1-CD1 3.68Å; Y258-F273 AromaticContact CE1-CE1 3.52Å; Y258-F273 HydrophobicContact CE1-CE1 3.52Å; Y258-F273 HydrophobicContact CE1-CG 4.34Å; Y258-F273 HydrophobicContact CE1-CZ 4.05Å; Y258-F273 HydrophobicContact CE2-CB 3.78Å; Y258-F273 AromaticContact CE2-CD1 3.29Å; Y258-F273 HydrophobicContact CE2-CD1 3.29Å; Y258-F273 HydrophobicContact CE2-CE1 4.03Å; Y258-F273 AromaticContact CE2-CG 3.68Å; Y258-F273 HydrophobicContact CE2-CG 3.68Å; Y258-F273 HydrophobicContact CG-CB 4.19Å; Y258-F273 AromaticContact CG-CD1 3.98Å; Y258-F273 HydrophobicContact CG-CD1 3.98Å; Y258-F273 HydrophobicContact CG-CD2 4.04Å; Y258-F273 HydrophobicContact CG-CE1 4.37Å; Y258-F273 HydrophobicContact CG-CE2 4.43Å; Y258-F273 AromaticContact CG-CG 3.8Å; Y258-F273 HydrophobicContact CG-CG 3.8Å; Y258-F273 AromaticContact CZ-CD1 3.35Å; Y258-F273 AromaticContact CZ-CE1 3.59Å; I268-F273 HydrophobicContact CG2-CB 4.14Å; C269-F273 PolarHBondContact O-N 2.92Å; Q270-F273 PolarHBondContact O-N 2.78Å; F273-S275 PolarHBondContact O-N 2.81Å; F273-G276 WeakPolarHBondContact O-CA 3.43Å; F273-G276 PolarHBondContact O-N 3.05Å; F273-M284 HydrophobicContact CD2-SD 4.36Å
274	F	88.6	Confident	84.2	Confident	10 Å²	10	48.2 Å²	48.2	4%	0.044	26%	0.262	C	S	.	.	H	α-helix	trans	-67.6	-32.5	-179.1	-67.1	-11.9	0	0	0	113.7	V33 R34 F35 Y38 M42 F256 Y258 Q270 G276	V33-F274 HydrophobicContact CG1-CB 4.17Å; V33-F274 HydrophobicContact CG1-CD1 4.49Å; V33-F274 HydrophobicContact CG1-CD2 4.16Å; V33-F274 HydrophobicContact CG1-CG 4.04Å; V33-F274 HydrophobicContact CG2-CB 4.49Å; V33-F274 HydrophobicContact CG2-CD2 4.34Å; R34-F274 WeakPolarHBondContact CB-O 3.46Å; R34-F274 PolarHBondContact N-O 3.11Å; F35-F274 HydrophobicContact CD2-CD1 4.21Å; Y38-F274 AromaticContact CD1-CE1 3.58Å; Y38-F274 HydrophobicContact CD1-CE1 3.58Å; Y38-F274 HydrophobicContact CD1-CE2 4.49Å; Y38-F274 AromaticContact CD1-CZ 3.4Å; Y38-F274 HydrophobicContact CD1-CZ 3.4Å; Y38-F274 HydrophobicContact CE1-CE1 4.23Å; Y38-F274 HydrophobicContact CE1-CZ 4.19Å; Y38-F274 AromaticContact CG-CE1 3.74Å; Y38-F274 HydrophobicContact CG-CE1 3.74Å; Y38-F274 AromaticContact CG-CZ 3.89Å; Y38-F274 HydrophobicContact CG-CZ 3.89Å; M42-F274 HydrophobicContact CE-CE2 4.44Å; M42-F274 HydrophobicContact SD-CD2 3.9Å; M42-F274 HydrophobicContact SD-CE2 3.51Å; M42-F274 VanDerWaalsContact SD-CE2 3.51Å; M42-F274 HydrophobicContact SD-CZ 4.49Å; F256-F274 AromaticContact CD2-CZ 3.9Å; F256-F274 HydrophobicContact CD2-CZ 3.9Å; F256-F274 HydrophobicContact CE2-CZ 4.08Å; Y258-F274 HydrophobicContact CE2-CE1 4.32Å; Y258-F274 WeakPolarHBondContact OH-CE1 3.44Å; Q270-F274 HydrophobicContact CG-CD2 3.69Å; Q270-F274 HydrophobicContact CG-CE2 3.31Å; Q270-F274 HydrophobicContact CG-CG 4.47Å; Q270-F274 HydrophobicContact CG-CZ 3.82Å; Q270-F274 WeakPolarHBondContact O-CB 3.47Å; Q270-F274 WeakPolarHBondContact O-CG 3.32Å; Q270-F274 PolarHBondContact O-N 2.85Å; F274-G276 PolarHBondContact O-N 3.35Å
275	S	85.3	Confident	83.8	Confident	66 Å²	66	48.4 Å²	48.4	46%	0.462	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	0.4	169.1	-51.1	0	0	0	0	113.7	S271 F273 R277	S271-S275 WeakPolarHBondContact O-CB 3.33Å; S271-S275 PolarHBondContact O-N 2.9Å; S271-S275 PolarHBondContact O-OG 2.73Å; F273-S275 PolarHBondContact O-N 2.81Å; S275-R277 PolarHBondContact O-N 3.47Å; S275-R277 PolarHBondContact OG-NH2 2.77Å
276	G	83.6	Confident	83.5	Confident	15 Å²	15	45.6 Å²	45.6	16%	0.155	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	21.5	-179.3	0	0	0	0	0	115.3	C272 F273 F274	C272-G276 PolarHBondContact O-N 3.34Å; F273-G276 WeakPolarHBondContact O-CA 3.43Å; F273-G276 PolarHBondContact O-N 3.05Å; F274-G276 PolarHBondContact O-N 3.35Å
277	R	84.9	Confident	82.7	Confident	110 Å²	110	46.4 Å²	46.4	42%	0.415	25%	0.253	S	S	.	.			trans	-67.6	141	-177	-74	-179.6	-90.6	-169.5	-4.4	110.5	I247 S271 C272 S275 M284	I247-R277 WeakPolarHBondContact CD1-O 3.45Å; I247-R277 HydrophobicContact CG2-CB 4.14Å; S271-R277 PolarHBondContact O-NH2 2.69Å; S271-R277 PolarHBondContact OG-NH2 3.1Å; C272-R277 PolarHBondContact O-N 3.37Å; S275-R277 PolarHBondContact O-N 3.47Å; S275-R277 PolarHBondContact OG-NH2 2.77Å; R277-M284 VanDerWaalsContact O-CE 3.24Å; R277-M284 WeakPolarHBondContact O-CE 3.35Å
278	V	84.3	Confident	82.3	Confident	88 Å²	88	47.1 Å²	47.1	53%	0.533	26%	0.257	S	S	.	.			trans	-121.1	155.7	-179.4	-71	0	0	0	0	111.5	H282 M284	V278-H282 WeakPolarHBondContact CB-O 3.32Å; V278-H282 VanDerWaalsContact CG1-O 3.27Å; V278-H282 WeakPolarHBondContact CG1-O 3.41Å; V278-M284 HydrophobicContact CG1-CE 3.91Å; V278-M284 HydrophobicContact CG1-CG 3.78Å
279	A	84.8	Confident	81.7	Confident	27 Å²	27	48.4 Å²	48.4	22%	0.223	27%	0.265	C	S	.	.			trans	-154.8	159.4	171.4	0	0	0	0	0	111.1	I247 Y266 G281 H282	I247-A279 HydrophobicContact CG1-CB 4.05Å; I247-A279 HydrophobicContact CG2-CB 4.49Å; Y266-A279 PolarHBondContact OH-O 3.17Å; A279-G281 VanDerWaalsContact C-N 3.34Å; A279-G281 PolarHBondContact O-N 3.23Å; A279-H282 WeakPolarHBondContact O-CB 3.34Å; A279-H282 PolarHBondContact O-N 3.21Å
280	K	77.1	Confident	81.4	Confident	171 Å²	171	50 Å²	50	74%	0.743	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.8	48.4	173.3	-58.8	-171.3	171.5	-164.1	0	114.4	Y266 H282	Y266-K280 HydrophobicContact CE2-CB 4.4Å; K280-H282 PolarHBondContact O-N 3.2Å; K280-H282 VanDerWaalsContact O-N 3.08Å
281	G	70.9	Confident	80.9	Confident	55 Å²	55	48.6 Å²	48.6	57%	0.567	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	9.2	178.4	0	0	0	0	0	115.9	A279 K283	A279-G281 VanDerWaalsContact C-N 3.34Å; A279-G281 PolarHBondContact O-N 3.23Å; G281-K283 PolarHBondContact O-N 3.31Å
282	H	76.1	Confident	80.5	Confident	3 Å²	3	46.6 Å²	46.6	1%	0.014	25%	0.25	C	S	.	.			trans	-75.2	115.6	173.1	-172.6	-71.7	0	0	0	110.3	S260 H263 Y266 V278 A279 K280 Y286 M288	S260-H282 PolarHBondContact OG-NE2 3.44Å; H263-H282 AromaticContact ND1-CD2 3.71Å; Y266-H282 AromaticContact CD1-CD2 3.59Å; Y266-H282 HydrophobicContact CE1-CB 3.89Å; Y266-H282 AromaticContact CE1-CD2 3.59Å; Y266-H282 AromaticContact CE1-CG 3.67Å; Y266-H282 HydrophobicContact CE2-CB 3.88Å; Y266-H282 VanDerWaalsContact CZ-CB 3.49Å; Y266-H282 AromaticContact CZ-CG 3.83Å; V278-H282 WeakPolarHBondContact CB-O 3.32Å; V278-H282 VanDerWaalsContact CG1-O 3.27Å; V278-H282 WeakPolarHBondContact CG1-O 3.41Å; A279-H282 WeakPolarHBondContact O-CB 3.34Å; A279-H282 PolarHBondContact O-N 3.21Å; K280-H282 PolarHBondContact O-N 3.2Å; K280-H282 VanDerWaalsContact O-N 3.08Å; H282-Y286 AromaticContact CD2-CD2 3.96Å; H282-M288 PolarHBondContact NE2-SD 3.28Å; H282-M288 VanDerWaalsContact NE2-SD 3.45Å
283	K	75.4	Confident	80	Confident	77 Å²	77	50 Å²	50	34%	0.335	27%	0.271	S	S	.	.			trans	-91.7	137.1	175.8	-57.1	-172	179.8	-173.4	0	109.3	G281 H285 Y286 N381	G281-K283 PolarHBondContact O-N 3.31Å; K283-H285 PolarHBondContact O-N 3.2Å; K283-H285 VanDerWaalsContact O-N 3.1Å; K283-Y286 HydrophobicContact CB-CD1 4.27Å; K283-Y286 HydrophobicContact CB-CD2 4.46Å; K283-Y286 HydrophobicContact CB-CE1 3.9Å; K283-Y286 HydrophobicContact CB-CE2 4.11Å; K283-Y286 HydrophobicContact CG-CE1 4.32Å; K283-Y286 HydrophobicContact CG-CE2 4.36Å; K283-Y286 WeakPolarHBondContact O-CB 3.32Å; K283-Y286 WeakPolarHBondContact O-CD2 3.24Å; K283-Y286 VanDerWaalsContact O-CG 3.31Å; K283-Y286 PolarHBondContact O-N 3.45Å; K283-N381 WeakPolarHBondContact CE-OD1 3.45Å; K283-N381 PolarHBondContact NZ-OD1 3.44Å
284	M	71.4	Confident	79.2	Confident	35 Å²	35	53.2 Å²	53.2	17%	0.172	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-21.8	-173.4	-78.2	-71.5	104.9	0	0	114.7	I268 F273 R277 V278 Y286 M324	I268-M284 HydrophobicContact CD1-CE 3.89Å; F273-M284 HydrophobicContact CD2-SD 4.36Å; R277-M284 VanDerWaalsContact O-CE 3.24Å; R277-M284 WeakPolarHBondContact O-CE 3.35Å; V278-M284 HydrophobicContact CG1-CE 3.91Å; V278-M284 HydrophobicContact CG1-CG 3.78Å; M284-Y286 VanDerWaalsContact C-N 3.29Å; M284-Y286 PolarHBondContact O-N 2.93Å; M284-M324 WeakPolarHBondContact O-CE 3.29Å
285	H	69.6	Low	78	Confident	135 Å²	135	54.2 Å²	54.2	63%	0.625	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-3.7	176.2	64.4	-117.3	0	0	0	114.2	K283	K283-H285 PolarHBondContact O-N 3.2Å; K283-H285 VanDerWaalsContact O-N 3.1Å
286	Y	75.7	Confident	76.8	Confident	27 Å²	27	54.8 Å²	54.8	11%	0.106	30%	0.301	C	S	.	.	S	Bend	trans	-66.5	139.2	175.6	-65.9	-18.8	0	0	0	110.1	K262 H263 H282 K283 M284 M288	K262-Y286 HydrophobicContact CB-CD2 4.5Å; K262-Y286 HydrophobicContact CB-CG 4.45Å; K262-Y286 HydrophobicContact CD-CD1 3.77Å; K262-Y286 HydrophobicContact CD-CD2 3.75Å; K262-Y286 HydrophobicContact CD-CE1 3.78Å; K262-Y286 HydrophobicContact CD-CE2 3.75Å; K262-Y286 HydrophobicContact CD-CG 3.77Å; K262-Y286 VanDerWaalsContact NZ-CE1 3.26Å; K262-Y286 PolarHBondContact NZ-OH 2.88Å; H263-Y286 AromaticContact CE1-CE2 3.7Å; H263-Y286 AromaticContact NE2-CE2 3.51Å; H282-Y286 AromaticContact CD2-CD2 3.96Å; K283-Y286 HydrophobicContact CB-CD1 4.27Å; K283-Y286 HydrophobicContact CB-CD2 4.46Å; K283-Y286 HydrophobicContact CB-CE1 3.9Å; K283-Y286 HydrophobicContact CB-CE2 4.11Å; K283-Y286 HydrophobicContact CG-CE1 4.32Å; K283-Y286 HydrophobicContact CG-CE2 4.36Å; K283-Y286 WeakPolarHBondContact O-CB 3.32Å; K283-Y286 WeakPolarHBondContact O-CD2 3.24Å; K283-Y286 VanDerWaalsContact O-CG 3.31Å; K283-Y286 PolarHBondContact O-N 3.45Å; M284-Y286 VanDerWaalsContact C-N 3.29Å; M284-Y286 PolarHBondContact O-N 2.93Å; Y286-M288 WeakPolarHBondContact O-CG 3.07Å; Y286-M288 PolarHBondContact O-N 2.99Å
287	P	70.6	Confident	75.3	Confident	24 Å²	24	59 Å²	59	16%	0.156	33%	0.328	C	S	.	.			trans	-61.7	131.7	-176.8	24.5	-33.9	0	0	0	111	L261 F318	L261-P287 HydrophobicContact CB-CB 4.31Å; L261-P287 HydrophobicContact CB-CG 4.18Å; L261-P287 WeakPolarHBondContact CB-O 3.46Å; L261-P287 HydrophobicContact CD1-CB 4.31Å; L261-P287 PolarHBondContact N-O 3.48Å; P287-F318 HydrophobicContact CG-CD1 4.14Å; P287-F318 HydrophobicContact CG-CE1 4.21Å
288	M	80.1	Confident	73.8	Confident	19 Å²	19	55.3 Å²	55.3	9%	0.094	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	150.6	-179.5	-55	-63.4	-73.7	0	0	110.4	Y258 R259 S260 I268 H282 Y286 M324	Y258-M288 WeakPolarHBondContact O-CE 3.27Å; R259-M288 CarbonylContact O-C 3.5Å; R259-M288 VanDerWaalsContact O-CA 3.29Å; R259-M288 WeakPolarHBondContact O-CA 3.49Å; S260-M288 VanDerWaalsContact CA-SD 3.55Å; I268-M288 HydrophobicContact CD1-CE 3.63Å; I268-M288 HydrophobicContact CG1-CE 3.98Å; H282-M288 PolarHBondContact NE2-SD 3.28Å; H282-M288 VanDerWaalsContact NE2-SD 3.45Å; Y286-M288 WeakPolarHBondContact O-CG 3.07Å; Y286-M288 PolarHBondContact O-N 2.99Å; M288-M324 HydrophobicContact CG-CE 4.13Å
289	V	80.8	Confident	72.5	Confident	26 Å²	26	53.4 Å²	53.4	16%	0.158	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	130	158.6	-178.7	0	0	0	0	108.3	Y258 R259 L261 Y291	Y258-V289 CarbonylContact C-O 3.52Å; Y258-V289 WeakPolarHBondContact CA-O 3.16Å; R259-V289 PolarHBondContact N-O 3.39Å; R259-V289 PolarHBondContact O-N 3.26Å; L261-V289 HydrophobicContact CD1-CG2 3.83Å; L261-V289 HydrophobicContact CD2-CG2 3.64Å; L261-V289 HydrophobicContact CG-CG2 3.75Å; V289-Y291 HydrophobicContact CB-CE2 4.06Å; V289-Y291 HydrophobicContact CG1-CD1 4.33Å; V289-Y291 HydrophobicContact CG1-CD2 4.33Å; V289-Y291 HydrophobicContact CG1-CE1 3.82Å; V289-Y291 HydrophobicContact CG1-CE2 3.78Å
290	E	85.8	Confident	71	Confident	35 Å²	35	54.5 Å²	54.5	16%	0.164	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	136.6	167.9	177.7	170.9	108.4	0	0	109.8	Y38 R232 F256 Y258 Y326	Y38-E290 VanDerWaalsContact CZ-OE2 3.25Å; Y38-E290 PolarHBondContact OH-OE1 3.45Å; Y38-E290 VanDerWaalsContact OH-OE1 3.12Å; Y38-E290 PolarHBondContact OH-OE2 3.37Å; R232-E290 VanDerWaalsContact CD-OE1 3.29Å; R232-E290 WeakPolarHBondContact CD-OE1 3.4Å; R232-E290 IonicContact CZ-OE1 2.67Å; R232-E290 IonicContact NE-OE1 3.73Å; R232-E290 PolarHBondContact NE-OE1 3.22Å; F256-E290 HydrophobicContact CD1-CG 3.64Å; F256-E290 VanDerWaalsContact CE1-CD 3.45Å; F256-E290 HydrophobicContact CE1-CG 3.98Å; F256-E290 VanDerWaalsContact CE1-OE1 3.31Å; F256-E290 WeakPolarHBondContact CE1-OE1 3.49Å; Y258-E290 HydrophobicContact CD1-CB 4.12Å; Y258-E290 HydrophobicContact CD1-CG 4.38Å; Y258-E290 HydrophobicContact CE1-CB 3.84Å; Y258-E290 HydrophobicContact CE1-CG 3.75Å; Y258-E290 WeakPolarHBondContact CE1-OE2 3.25Å; Y258-E290 PolarHBondContact OH-OE2 2.76Å; E290-Y326 PolarHBondContact OE1-OH 3.36Å
291	Y	81.6	Confident	69.8	Low	20 Å²	20	51.2 Å²	51.2	8%	0.078	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	128.1	164.1	-47.1	-94.2	0	0	0	108.7	R257 R259 V289 T295 D303	R257-Y291 HydrophobicContact CB-CD2 4.23Å; R257-Y291 HydrophobicContact CG-CD2 3.97Å; R257-Y291 PolarHBondContact N-O 2.88Å; R257-Y291 VanDerWaalsContact N-O 3.09Å; R257-Y291 WeakPolarHBondContact O-CD2 2.82Å; R257-Y291 PolarHBondContact O-N 3.45Å; R259-Y291 HydrophobicContact CB-CE2 3.79Å; V289-Y291 HydrophobicContact CB-CE2 4.06Å; V289-Y291 HydrophobicContact CG1-CD1 4.33Å; V289-Y291 HydrophobicContact CG1-CD2 4.33Å; V289-Y291 HydrophobicContact CG1-CE1 3.82Å; V289-Y291 HydrophobicContact CG1-CE2 3.78Å; Y291-T295 HydrophobicContact CD1-CG2 3.25Å; Y291-T295 HydrophobicContact CD2-CG2 4.25Å; Y291-T295 HydrophobicContact CE1-CG2 3.71Å; Y291-T295 HydrophobicContact CG-CG2 3.56Å; Y291-D303 WeakPolarHBondContact OH-CB 3.25Å
292	C	82.3	Confident	69.2	Low	24 Å²	24	55.5 Å²	55.5	16%	0.162	30%	0.304	C	S	.	.			trans	-117.3	10.3	177	64.9	0	0	0	0	112.5	R232 A235 A236 F256	R232-C292 HydrophobicContact CB-CB 4.29Å; A235-C292 CarbonylContact C-O 3.22Å; A235-C292 HydrophobicContact CB-CB 4.5Å; A235-C292 WeakPolarHBondContact CB-O 3.49Å; A236-C292 WeakPolarHBondContact CA-O 3.49Å; A236-C292 HydrophobicContact CB-CB 4.08Å; A236-C292 PolarHBondContact N-O 3.39Å; F256-C292 HydrophobicContact CD1-CB 3.83Å; F256-C292 HydrophobicContact CE1-CB 3.59Å
293	T	81.5	Confident	68	Low	73 Å²	73	55.7 Å²	55.7	45%	0.448	31%	0.305	S	S	.	.	S	Bend	trans	-139.7	150.4	178.9	51.1	0	0	0	0	109.2	A235 H241 T295	A235-T293 HydrophobicContact CB-CG2 4.42Å; H241-T293 PolarHBondContact CE1-O 3.31Å; T293-T295 PolarHBondContact O-N 3.44Å; T293-T295 VanDerWaalsContact O-N 3.1Å
294	P	72.1	Confident	66.8	Low	77 Å²	77	57.1 Å²	57.1	50%	0.5	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-53.9	117.7	179.3	-26.9	35.3	0	0	0	112.4	T296	P294-T296 PolarHBondContact O-N 3.06Å
295	T	64.4	Low	66	Low	31 Å²	31	58 Å²	58	19%	0.19	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-68.3	122.1	-175.3	37.1	0	0	0	0	111.8	H241 R257 Y291 T293	H241-T295 PolarHBondContact ND1-OG1 3.4Å; R257-T295 PolarHBondContact NH1-OG1 3.42Å; Y291-T295 HydrophobicContact CD1-CG2 3.25Å; Y291-T295 HydrophobicContact CD2-CG2 4.25Å; Y291-T295 HydrophobicContact CE1-CG2 3.71Å; Y291-T295 HydrophobicContact CG-CG2 3.56Å; T293-T295 PolarHBondContact O-N 3.44Å; T293-T295 VanDerWaalsContact O-N 3.1Å
296	T	59.7	Low	65.4	Low	79 Å²	79	56.2 Å²	56.2	49%	0.485	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-79.6	155.1	173.7	64.3	0	0	0	0	111.3	P294 G298 E299 D300	P294-T296 PolarHBondContact O-N 3.06Å; T296-G298 PolarHBondContact O-N 3.49Å; T296-G298 VanDerWaalsContact O-N 3.16Å; T296-E299 WeakPolarHBondContact CB-OE2 3.49Å; T296-E299 PolarHBondContact N-OE2 2.71Å; T296-E299 WeakPolarHBondContact O-CB 3.17Å; T296-E299 PolarHBondContact O-N 3.13Å; T296-E299 VanDerWaalsContact OG1-CD 3.24Å; T296-E299 WeakPolarHBondContact OG1-CG 3.36Å; T296-E299 PolarHBondContact OG1-OE2 3.02Å; T296-D300 PolarHBondContact O-N 2.91Å
297	S	52.6	Low	64.4	Low	104 Å²	104	55.5 Å²	55.5	73%	0.727	31%	0.314	S	S	*	.	H	α-helix	trans	-59.7	-28.6	-179.4	52.8	0	0	0	0	113.6	E299 V301	S297-E299 VanDerWaalsContact C-N 3.27Å; S297-E299 PolarHBondContact O-N 3.34Å; S297-V301 WeakPolarHBondContact O-CG2 3.4Å; S297-V301 PolarHBondContact O-N 2.71Å
298	G	53.9	Low	63.5	Low	31 Å²	31	58.6 Å²	58.6	32%	0.32	33%	0.329	S	S	.	.	H	α-helix	trans	-69.8	-19.5	173.6	0	0	0	0	0	114.3	T296 R302	T296-G298 PolarHBondContact O-N 3.49Å; T296-G298 VanDerWaalsContact O-N 3.16Å; G298-R302 WeakPolarHBondContact O-CG 3.3Å; G298-R302 PolarHBondContact O-N 3.44Å
299	E	56	Low	62.3	Low	49 Å²	49	64.5 Å²	64.5	23%	0.229	35%	0.354	C	S	.	.	H	α-helix	trans	-84	-45.2	177.4	-72.5	161.7	144.9	0	0	111.2	T296 S297 V301 R302 D303	T296-E299 WeakPolarHBondContact CB-OE2 3.49Å; T296-E299 PolarHBondContact N-OE2 2.71Å; T296-E299 WeakPolarHBondContact O-CB 3.17Å; T296-E299 PolarHBondContact O-N 3.13Å; T296-E299 VanDerWaalsContact OG1-CD 3.24Å; T296-E299 WeakPolarHBondContact OG1-CG 3.36Å; T296-E299 PolarHBondContact OG1-OE2 3.02Å; S297-E299 VanDerWaalsContact C-N 3.27Å; S297-E299 PolarHBondContact O-N 3.34Å; E299-V301 PolarHBondContact O-N 3.23Å; E299-R302 PolarHBondContact O-N 3.16Å; E299-R302 IonicContact OE1-NH2 2.98Å; E299-D303 PolarHBondContact O-N 2.88Å
300	D	52.9	Low	60.8	Low	49 Å²	49	64.2 Å²	64.2	26%	0.262	35%	0.352	S	S	.	.	H	α-helix	trans	-54.2	-35.7	172	-94.9	-73.5	0	0	0	111.9	R257 R259 T296 F304	R257-D300 IonicContact NH1-OD1 3.23Å; R257-D300 IonicContact NH1-OD2 3.52Å; R257-D300 IonicContact NH2-OD1 2.84Å; R259-D300 IonicContact CZ-OD1 3.94Å; R259-D300 IonicContact NH1-OD1 3.98Å; R259-D300 PolarHBondContact NH1-OD1 2.98Å; R259-D300 IonicContact NH2-OD1 3.78Å; R259-D300 PolarHBondContact NH2-OD1 2.81Å; T296-D300 PolarHBondContact O-N 2.91Å; D300-F304 VanDerWaalsContact O-CB 3.24Å; D300-F304 WeakPolarHBondContact O-CB 3.46Å; D300-F304 PolarHBondContact O-N 3.24Å
301	V	53	Low	59.2	Low	102 Å²	102	69 Å²	69	62%	0.618	37%	0.371	S	S	*	.	H	α-helix	trans	-71.2	-42.7	173.3	175.2	0	0	0	0	112.9	S297 E299 D303 F304 A305	S297-V301 WeakPolarHBondContact O-CG2 3.4Å; S297-V301 PolarHBondContact O-N 2.71Å; E299-V301 PolarHBondContact O-N 3.23Å; V301-D303 VanDerWaalsContact C-N 3.31Å; V301-D303 PolarHBondContact O-N 2.84Å; V301-F304 PolarHBondContact O-N 3.29Å; V301-A305 PolarHBondContact O-N 3.35Å; V301-A305 VanDerWaalsContact O-N 3.09Å
302	R	58.4	Low	57.6	Low	145 Å²	145	76.5 Å²	76.5	55%	0.547	41%	0.405	S	S	.	.	H	α-helix	trans	-61.4	-41.5	175.2	-77.2	-171.8	-67	-106.1	18.9	111.3	G298 E299 A305 K306	G298-R302 WeakPolarHBondContact O-CG 3.3Å; G298-R302 PolarHBondContact O-N 3.44Å; E299-R302 PolarHBondContact O-N 3.16Å; E299-R302 IonicContact OE1-NH2 2.98Å; R302-A305 PolarHBondContact O-N 2.86Å; R302-K306 WeakPolarHBondContact O-CG 3.31Å; R302-K306 PolarHBondContact O-N 3.16Å
303	D	49.7	Very low	56.2	Low	7 Å²	7	79.5 Å²	79.5	4%	0.037	41%	0.413	C	S	.	.	H	α-helix	trans	-79.2	-30	-178.2	-78.5	-76.4	0	0	0	112.8	Y291 E299 V301 A305 K306 V307	Y291-D303 WeakPolarHBondContact OH-CB 3.25Å; E299-D303 PolarHBondContact O-N 2.88Å; V301-D303 VanDerWaalsContact C-N 3.31Å; V301-D303 PolarHBondContact O-N 2.84Å; D303-A305 VanDerWaalsContact C-N 3.33Å; D303-A305 PolarHBondContact O-N 3.13Å; D303-K306 PolarHBondContact O-N 3.19Å; D303-K306 VanDerWaalsContact OD1-CD 3.29Å; D303-K306 WeakPolarHBondContact OD1-CD 3.22Å; D303-K306 WeakPolarHBondContact OD1-CE 3.45Å; D303-K306 IonicContact OD1-NZ 3.22Å; D303-K306 PolarHBondContact OD1-NZ 3.04Å; D303-K306 IonicContact OD2-NZ 2.69Å; D303-K306 PolarHBondContact OD2-NZ 3.05Å; D303-V307 WeakPolarHBondContact O-CG2 3.26Å; D303-V307 PolarHBondContact O-N 3.47Å
304	F	49.9	Very low	54.4	Low	107 Å²	107	80.9 Å²	80.9	47%	0.469	42%	0.421	S	S	.	.	H	α-helix	trans	-56.1	-46.8	163.3	178.2	-92.9	0	0	0	111.4	F264 D300 V301 K306 V307 L308	F264-F304 HydrophobicContact CE2-CD2 4.05Å; F264-F304 AromaticContact CE2-CE2 3.97Å; F264-F304 HydrophobicContact CE2-CE2 3.97Å; D300-F304 VanDerWaalsContact O-CB 3.24Å; D300-F304 WeakPolarHBondContact O-CB 3.46Å; D300-F304 PolarHBondContact O-N 3.24Å; V301-F304 PolarHBondContact O-N 3.29Å; F304-K306 PolarHBondContact O-N 2.81Å; F304-V307 PolarHBondContact O-N 3.39Å; F304-L308 HydrophobicContact CE1-CD1 4.43Å; F304-L308 HydrophobicContact CZ-CD1 4.25Å; F304-L308 PolarHBondContact O-N 3.31Å
305	A	54.7	Low	53.4	Low	55 Å²	55	86.7 Å²	86.7	46%	0.455	44%	0.439	S	S	.	.	H	α-helix	trans	-64.4	-37	176.7	0	0	0	0	0	112.9	V301 R302 D303 K309	V301-A305 PolarHBondContact O-N 3.35Å; V301-A305 VanDerWaalsContact O-N 3.09Å; R302-A305 PolarHBondContact O-N 2.86Å; D303-A305 VanDerWaalsContact C-N 3.33Å; D303-A305 PolarHBondContact O-N 3.13Å; A305-K309 WeakPolarHBondContact O-CB 3.48Å; A305-K309 PolarHBondContact O-N 2.85Å
306	K	57.2	Low	52.2	Low	96 Å²	96	95.3 Å²	95.3	42%	0.417	47%	0.468	S	S	.	.	H	α-helix	trans	-64	-45.1	171.9	-67.5	177.7	-143.9	155.6	0	111.8	L261 R302 D303 F304 K309 N310	L261-K306 HydrophobicContact CD2-CB 4.43Å; R302-K306 WeakPolarHBondContact O-CG 3.31Å; R302-K306 PolarHBondContact O-N 3.16Å; D303-K306 PolarHBondContact O-N 3.19Å; D303-K306 VanDerWaalsContact OD1-CD 3.29Å; D303-K306 WeakPolarHBondContact OD1-CD 3.22Å; D303-K306 WeakPolarHBondContact OD1-CE 3.45Å; D303-K306 IonicContact OD1-NZ 3.22Å; D303-K306 PolarHBondContact OD1-NZ 3.04Å; D303-K306 IonicContact OD2-NZ 2.69Å; D303-K306 PolarHBondContact OD2-NZ 3.05Å; F304-K306 PolarHBondContact O-N 2.81Å; K306-K309 PolarHBondContact O-N 2.81Å; K306-N310 VanDerWaalsContact O-CB 3.27Å; K306-N310 WeakPolarHBondContact O-CB 3.4Å; K306-N310 VanDerWaalsContact O-CG 3.29Å; K306-N310 PolarHBondContact O-N 2.93Å
307	V	54.5	Low	51.6	Low	13 Å²	13	94.8 Å²	94.8	8%	0.079	46%	0.457	C	S	.	.	H	α-helix	trans	-61.6	-43.4	177	169	0	0	0	0	110.8	L261 D303 F304 N310 K311	L261-V307 HydrophobicContact CD2-CG2 3.94Å; D303-V307 WeakPolarHBondContact O-CG2 3.26Å; D303-V307 PolarHBondContact O-N 3.47Å; F304-V307 PolarHBondContact O-N 3.39Å; V307-N310 PolarHBondContact O-N 3.38Å; V307-K311 PolarHBondContact O-N 2.86Å
308	L	52.2	Low	51.3	Low	88 Å²	88	92.7 Å²	92.7	46%	0.461	44%	0.435	S	S	.	.	H	α-helix	trans	-60.2	-49.9	175.5	-141.6	78.3	0	0	0	111	F304 N310 K311 F312	F304-L308 HydrophobicContact CE1-CD1 4.43Å; F304-L308 HydrophobicContact CZ-CD1 4.25Å; F304-L308 PolarHBondContact O-N 3.31Å; L308-N310 PolarHBondContact O-N 2.75Å; L308-K311 PolarHBondContact O-N 3.47Å; L308-F312 VanDerWaalsContact O-CD2 3.24Å; L308-F312 WeakPolarHBondContact O-CD2 3.34Å
309	K	55.3	Low	51	Low	143 Å²	143	95 Å²	95	62%	0.622	45%	0.451	S	S	*	.	H	α-helix	trans	-62.7	-27.4	177.2	-170.1	168.2	-175.3	170.1	0	113.3	A305 K306 R313	A305-K309 WeakPolarHBondContact O-CB 3.48Å; A305-K309 PolarHBondContact O-N 2.85Å; K306-K309 PolarHBondContact O-N 2.81Å; K309-R313 WeakPolarHBondContact O-CD 3.23Å
310	N	49.1	Very low	50	Low	21 Å²	21	100.8 Å²	100.8	11%	0.112	48%	0.476	C	S	.	.	H	α-helix	trans	-81.6	-29.7	175.9	-79.6	-12.7	0	0	0	113.5	K306 V307 L308 F312 R313 F318	K306-N310 VanDerWaalsContact O-CB 3.27Å; K306-N310 WeakPolarHBondContact O-CB 3.4Å; K306-N310 VanDerWaalsContact O-CG 3.29Å; K306-N310 PolarHBondContact O-N 2.93Å; V307-N310 PolarHBondContact O-N 3.38Å; L308-N310 PolarHBondContact O-N 2.75Å; N310-F312 PolarHBondContact O-N 2.87Å; N310-R313 PolarHBondContact O-N 3.33Å; N310-R313 PolarHBondContact OD1-NH1 3.16Å; N310-F318 HydrophobicContact CB-CE1 4.49Å; N310-F318 HydrophobicContact CB-CZ 3.93Å; N310-F318 WeakPolarHBondContact O-CZ 3.44Å
311	K	51.4	Low	49.4	Very low	134 Å²	134	102.7 Å²	102.7	58%	0.583	48%	0.483	S	S	*	.	H	α-helix	trans	-62.4	-29.2	172.9	-80.3	-164.3	171.9	-166.7	0	113.5	V307 L308 R313	V307-K311 PolarHBondContact O-N 2.86Å; L308-K311 PolarHBondContact O-N 3.47Å; K311-R313 VanDerWaalsContact C-N 3.29Å; K311-R313 PolarHBondContact O-N 3.07Å
312	F	47.9	Very low	48.8	Very low	178 Å²	178	102.8 Å²	102.8	78%	0.781	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	13	176.8	-65.6	-73.1	0	0	0	114.3	L308 N310	L308-F312 VanDerWaalsContact O-CD2 3.24Å; L308-F312 WeakPolarHBondContact O-CD2 3.34Å; N310-F312 PolarHBondContact O-N 2.87Å
313	R	53.1	Low	48.2	Very low	88 Å²	88	105.3 Å²	105.3	33%	0.332	50%	0.495	S	S	.	.	S	Bend	trans	-107.4	131.6	179.4	-76.2	163.9	153.5	-175.1	-12.3	110.9	K309 N310 K311 Y317 F318	K309-R313 WeakPolarHBondContact O-CD 3.23Å; N310-R313 PolarHBondContact O-N 3.33Å; N310-R313 PolarHBondContact OD1-NH1 3.16Å; K311-R313 VanDerWaalsContact C-N 3.29Å; K311-R313 PolarHBondContact O-N 3.07Å; R313-Y317 HydrophobicContact CB-CD1 3.83Å; R313-Y317 HydrophobicContact CB-CG 3.98Å; R313-Y317 HydrophobicContact CG-CD1 4.05Å; R313-Y317 HydrophobicContact CG-CE1 4.44Å; R313-Y317 HydrophobicContact CG-CG 4.12Å; R313-Y317 VanDerWaalsContact CZ-OH 3.26Å; R313-Y317 PolarHBondContact NH1-OH 2.85Å; R313-Y317 PolarHBondContact NH2-OH 3.47Å; R313-Y317 VanDerWaalsContact NH2-OH 3.11Å; R313-F318 HydrophobicContact CB-CE2 3.68Å; R313-F318 HydrophobicContact CB-CZ 4.01Å; R313-F318 WeakPolarHBondContact O-CE2 3.39Å
314	T	45.2	Very low	47.6	Very low	101 Å²	101	107.3 Å²	107.3	62%	0.62	51%	0.505	S	S	*	.			trans	-71.9	161.4	-173.7	48.6	0	0	0	0	113.2	R316 Y317	T314-R316 PolarHBondContact O-N 3.12Å; T314-R316 VanDerWaalsContact O-N 3.12Å; T314-Y317 WeakPolarHBondContact O-CB 3.47Å; T314-Y317 PolarHBondContact O-N 2.74Å
315	K	49.3	Very low	47.1	Very low	199 Å²	199	105 Å²	105	87%	0.865	51%	0.511	S	S	*	.	H	α-helix	trans	-46.1	-44.1	175	-76.3	-176	175.9	179.9	0	111.9	Y317 F318 A319	K315-Y317 VanDerWaalsContact C-N 3.32Å; K315-Y317 PolarHBondContact O-N 2.91Å; K315-F318 PolarHBondContact O-N 3.12Å; K315-A319 PolarHBondContact O-N 2.77Å; K315-A319 VanDerWaalsContact O-N 3.09Å
316	R	41	Very low	46.6	Very low	213 Å²	213	105.5 Å²	105.5	80%	0.804	50%	0.501	S	S	*	.	H	α-helix	trans	-61.6	-28.9	177.9	-72.9	-179.6	175.8	163.2	-1.2	114.3	T314 K320	T314-R316 PolarHBondContact O-N 3.12Å; T314-R316 VanDerWaalsContact O-N 3.12Å; R316-K320 PolarHBondContact O-N 2.77Å
317	Y	45.8	Very low	45.4	Very low	67 Å²	67	107.9 Å²	107.9	26%	0.263	52%	0.518	S	S	.	.	H	α-helix	trans	-67.7	-46	175.6	177.8	-89.4	0	0	0	111.5	R313 T314 K315 K320 H321	R313-Y317 HydrophobicContact CB-CD1 3.83Å; R313-Y317 HydrophobicContact CB-CG 3.98Å; R313-Y317 HydrophobicContact CG-CD1 4.05Å; R313-Y317 HydrophobicContact CG-CE1 4.44Å; R313-Y317 HydrophobicContact CG-CG 4.12Å; R313-Y317 VanDerWaalsContact CZ-OH 3.26Å; R313-Y317 PolarHBondContact NH1-OH 2.85Å; R313-Y317 PolarHBondContact NH2-OH 3.47Å; R313-Y317 VanDerWaalsContact NH2-OH 3.11Å; T314-Y317 WeakPolarHBondContact O-CB 3.47Å; T314-Y317 PolarHBondContact O-N 2.74Å; K315-Y317 VanDerWaalsContact C-N 3.32Å; K315-Y317 PolarHBondContact O-N 2.91Å; Y317-K320 PolarHBondContact O-N 3.43Å; Y317-H321 AromaticContact CD2-CD2 3.77Å; Y317-H321 HydrophobicContact CE1-CB 4.44Å; Y317-H321 AromaticContact CE2-CD2 3.35Å; Y317-H321 WeakPolarHBondContact CE2-CD2 3.04Å; Y317-H321 AromaticContact CE2-NE2 3.96Å; Y317-H321 AromaticContact CZ-CD2 3.58Å; Y317-H321 WeakPolarHBondContact O-CB 3.13Å; Y317-H321 PolarHBondContact O-N 2.68Å
318	F	46.3	Very low	44.3	Very low	61 Å²	61	112.1 Å²	112.1	27%	0.268	55%	0.546	S	S	.	.	H	α-helix	trans	-72.6	-33.3	-179.8	-67.5	-75.5	0	0	0	112.4	P287 N310 R313 K315 H321	P287-F318 HydrophobicContact CG-CD1 4.14Å; P287-F318 HydrophobicContact CG-CE1 4.21Å; N310-F318 HydrophobicContact CB-CE1 4.49Å; N310-F318 HydrophobicContact CB-CZ 3.93Å; N310-F318 WeakPolarHBondContact O-CZ 3.44Å; R313-F318 HydrophobicContact CB-CE2 3.68Å; R313-F318 HydrophobicContact CB-CZ 4.01Å; R313-F318 WeakPolarHBondContact O-CE2 3.39Å; K315-F318 PolarHBondContact O-N 3.12Å; F318-H321 CarbonylContact O-C 3.58Å; F318-H321 VanDerWaalsContact O-C 3.22Å; F318-H321 PolarHBondContact O-N 3.09Å
319	A	47.6	Very low	43.5	Very low	79 Å²	79	110.7 Å²	110.7	65%	0.653	54%	0.541	S	S	*	.	H	α-helix	trans	-63.3	-38.9	172.3	0	0	0	0	0	112.8	K315	K315-A319 PolarHBondContact O-N 2.77Å; K315-A319 VanDerWaalsContact O-N 3.09Å
320	K	36.4	Very low	42.1	Very low	171 Å²	171	112.1 Å²	112.1	74%	0.743	55%	0.55	S	S	*	.	H	α-helix	trans	-83.7	-12.5	176.1	-69.5	-164.5	173.8	-164.5	0	114.5	R316 Y317	R316-K320 PolarHBondContact O-N 2.77Å; Y317-K320 PolarHBondContact O-N 3.43Å
321	H	39.6	Very low	41.2	Very low	89 Å²	89	116.3 Å²	116.3	41%	0.412	58%	0.576	S	S	.	*			trans	-135.2	70.4	177.2	-59.6	-51.5	0	0	0	111.6	Y317 F318 R323	Y317-H321 AromaticContact CD2-CD2 3.77Å; Y317-H321 HydrophobicContact CE1-CB 4.44Å; Y317-H321 AromaticContact CE2-CD2 3.35Å; Y317-H321 WeakPolarHBondContact CE2-CD2 3.04Å; Y317-H321 AromaticContact CE2-NE2 3.96Å; Y317-H321 AromaticContact CZ-CD2 3.58Å; Y317-H321 WeakPolarHBondContact O-CB 3.13Å; Y317-H321 PolarHBondContact O-N 2.68Å; F318-H321 CarbonylContact O-C 3.58Å; F318-H321 VanDerWaalsContact O-C 3.22Å; F318-H321 PolarHBondContact O-N 3.09Å; H321-R323 PolarHBondContact O-N 2.81Å
322	P	41.1	Very low	40.1	Very low	103 Å²	103	115 Å²	115	67%	0.669	58%	0.579	S	S	*	*			trans	-71.9	65.1	170	33.2	-36.5	0	0	0	110.3	M324	P322-M324 PolarHBondContact O-N 3.37Å
323	R	44.8	Very low	39.3	Very low	199 Å²	199	114.9 Å²	114.9	75%	0.751	59%	0.585	S	S	*	*			trans	-75.6	65.9	171.7	-71.6	-168.5	179.3	-168	-0.9	110.5	H321	H321-R323 PolarHBondContact O-N 2.81Å
324	M	38.2	Very low	38.3	Very low	49 Å²	49	118.9 Å²	118.9	24%	0.241	61%	0.608	C	S	.	*			trans	-58.7	144.1	140	-130.1	61.6	179.4	0	0	107.3	M284 M288 P322 Y326	M284-M324 WeakPolarHBondContact O-CE 3.29Å; M288-M324 HydrophobicContact CG-CE 4.13Å; P322-M324 PolarHBondContact O-N 3.37Å; M324-Y326 PolarHBondContact O-N 3.26Å; M324-Y326 VanDerWaalsContact O-N 3.11Å
325	G	38.7	Very low	37.5	Very low	58 Å²	58	117.8 Å²	117.8	60%	0.598	62%	0.617	S	S	*	*	S	Bend	trans	-64.1	-14.9	-178.5	0	0	0	0	0	114.2
326	Y	43.2	Very low	36.4	Very low	65 Å²	65	116 Å²	116	26%	0.255	62%	0.617	S	S	.	*	S	Bend	trans	-132.4	130.8	-178.4	-43.1	-63.6	0	0	0	107.1	Y38 R232 E290 M324	Y38-Y326 HydrophobicContact CE2-CD2 4.02Å; Y38-Y326 AromaticContact CE2-CE2 3.95Å; Y38-Y326 HydrophobicContact CE2-CE2 3.95Å; Y38-Y326 AromaticContact CZ-CE2 3.93Å; Y38-Y326 WeakPolarHBondContact OH-CE2 3.49Å; Y38-Y326 PolarHBondContact OH-OH 3.46Å; R232-Y326 PolarHBondContact NE-OH 3.44Å; R232-Y326 PolarHBondContact NH2-OH 3.11Å; E290-Y326 PolarHBondContact OE1-OH 3.36Å; M324-Y326 PolarHBondContact O-N 3.26Å; M324-Y326 VanDerWaalsContact O-N 3.11Å
327	L	32.5	Very low	35.8	Very low	146 Å²	146	112.7 Å²	112.7	76%	0.764	62%	0.615	S	S	*	*			trans	-58.8	131	169.1	-76.9	161.4	0	0	0	108.3	V329	L327-V329 PolarHBondContact O-N 2.88Å
328	P	31.6	Very low	34.9	Very low	102 Å²	102	118.3 Å²	118.3	66%	0.662	65%	0.646	S	S	*	*			trans	-54.5	133.9	162	-21.3	33.4	0	0	0	108.2	Q330	P328-Q330 VanDerWaalsContact C-N 3.26Å; P328-Q330 PolarHBondContact O-N 3.08Å
329	V	35.9	Very low	34.2	Very low	59 Å²	59	124.1 Å²	124.1	36%	0.358	67%	0.674	S	S	.	*			trans	-72.6	85.6	-176.2	-170.7	0	0	0	0	109.1	Q222 L327 T331	Q222-V329 VanDerWaalsContact NE2-CG2 3.33Å; L327-V329 PolarHBondContact O-N 2.88Å; V329-T331 HydrophobicContact CG1-CG2 4.46Å; V329-T331 PolarHBondContact O-N 3.04Å
330	Q	26.3	Very low	33.1	Very low	173 Å²	173	127 Å²	127	81%	0.808	68%	0.684	S	S	*	*			trans	-86.7	101	176.3	-160.6	161	6.9	0	0	107.3	P328 V332	P328-Q330 VanDerWaalsContact C-N 3.26Å; P328-Q330 PolarHBondContact O-N 3.08Å; Q330-V332 VanDerWaalsContact C-N 3.31Å; Q330-V332 PolarHBondContact O-N 2.71Å
331	T	30.3	Very low	33	Very low	109 Å²	109	124.7 Å²	124.7	67%	0.669	69%	0.686	S	S	*	*			trans	-70.1	84.3	-178.9	47.9	0	0	0	0	110.3	V329 L333	V329-T331 HydrophobicContact CG1-CG2 4.46Å; V329-T331 PolarHBondContact O-N 3.04Å; T331-L333 PolarHBondContact O-N 3.06Å
332	V	27.5	Very low	32.2	Very low	106 Å²	106	125 Å²	125	64%	0.642	70%	0.704	S	S	*	*			trans	-72.9	109.1	171.8	179.1	0	0	0	0	108.5	Q330 E334	Q330-V332 VanDerWaalsContact C-N 3.31Å; Q330-V332 PolarHBondContact O-N 2.71Å; V332-E334 HydrophobicContact CG1-CB 4.41Å; V332-E334 HydrophobicContact CG1-CG 3.85Å; V332-E334 PolarHBondContact O-N 3.28Å
333	L	31.4	Very low	31.4	Very low	175 Å²	175	125.4 Å²	125.4	92%	0.916	71%	0.709	S	S	*	*			trans	-78.2	106.8	167.3	-78.2	163.3	0	0	0	108.7	T331	T331-L333 PolarHBondContact O-N 3.06Å
334	E	32.2	Very low	30.4	Very low	172 Å²	172	121.4 Å²	121.4	80%	0.804	71%	0.712	S	S	*	*			trans	-132.5	115.1	173.1	-92.3	-173.9	171.6	0	0	111.4	V332	V332-E334 HydrophobicContact CG1-CB 4.41Å; V332-E334 HydrophobicContact CG1-CG 3.85Å; V332-E334 PolarHBondContact O-N 3.28Å
335	G	28.2	Very low	30.4	Very low	78 Å²	78	124.7 Å²	124.7	80%	0.804	74%	0.737	S	S	*	*			trans	99.5	129.4	160.6	0	0	0	0	0	116.1
336	D	26.3	Very low	29.8	Very low	163 Å²	163	131.7 Å²	131.7	87%	0.872	75%	0.754	S	S	*	*			trans	-66.6	151.3	174.7	-62.8	-69.3	0	0	0	113.3	M338	D336-M338 PolarHBondContact O-N 3.2Å
337	N	27.8	Very low	29.6	Very low	142 Å²	142	136.9 Å²	136.9	76%	0.759	79%	0.785	S	S	*	*			trans	-72.9	112.5	168.9	-74.6	-37.5	0	0	0	110.2	E339	N337-E339 PolarHBondContact O-N 3.47Å
338	M	26.1	Very low	29.6	Very low	186 Å²	186	135.1 Å²	135.1	92%	0.916	79%	0.785	S	S	*	*			trans	-74	118.2	163	-81.6	-171.3	63.7	0	0	110.5	D336	D336-M338 PolarHBondContact O-N 3.2Å
339	E	31.8	Very low	29.9	Very low	182 Å²	182	137.4 Å²	137.4	85%	0.85	79%	0.787	S	S	*	*			trans	-70.3	156	173.5	-57.1	-174.9	127.9	0	0	112.9	N337	N337-E339 PolarHBondContact O-N 3.47Å
340	T	25.5	Very low	30	Very low	141 Å²	141	141 Å²	141	87%	0.865	80%	0.804	S	S	*	*			trans	-165.9	155.8	146.7	12.9	0	0	0	0	108.7
341	P	34.3	Very low	31.1	Very low	122 Å²	122	137.1 Å²	137.1	79%	0.792	79%	0.789	S	S	*	*				-130.5	155.5	-124.6	39.5	-24.8	0	0	0	116.8
342	A	22.5	Very low	31.6	Very low	95 Å²	95	135.1 Å²	135.1	79%	0.785	78%	0.776	S	S	*	*			trans	-159.2	98.8	160.2	0	0	0	0	0	114.8
343	S	24.4	Very low	32.4	Very low	111 Å²	111	136.2 Å²	136.2	78%	0.776	77%	0.774	S	S	*	*			trans	42.6	92.8	132.9	-51.4	0	0	0	0	122.5
344	S	23.9	Very low	33.1	Very low	115 Å²	115	131.4 Å²	131.4	80%	0.804	76%	0.755	S	S	*	*				73.9	174.3	127.9	-40.7	0	0	0	0	117.7
345	P	38.5	Very low	33.8	Very low	119 Å²	119	129.1 Å²	129.1	77%	0.773	74%	0.739	S	S	*	*				-137.6	131.4	-96.4	35.5	-14.7	0	0	0	116.2
346	Q	26.7	Very low	34.9	Very low	204 Å²	204	130.1 Å²	130.1	95%	0.953	73%	0.725	S	S	*	*			trans	-156.7	141	156.3	-119	162.4	5.1	0	0	112.5
347	L	38.8	Very low	36	Very low	175 Å²	175	128.1 Å²	128.1	92%	0.916	71%	0.71	S	S	*	*			trans	-92.3	121.4	179.6	-78	163.9	0	0	0	111.1
348	S	32.4	Very low	36.8	Very low	108 Å²	108	126.7 Å²	126.7	76%	0.755	70%	0.699	S	S	*	*			trans	-162	136.4	146.2	51.6	0	0	0	0	113	D350	S348-D350 VanDerWaalsContact C-N 3.31Å; S348-D350 PolarHBondContact O-N 3.01Å
349	H	37.6	Very low	37.9	Very low	151 Å²	151	123.4 Å²	123.4	70%	0.699	68%	0.677	S	S	*	*	S	Bend	trans	60.9	-20.7	157.2	-138.4	-69.6	0	0	0	122	D351 T352	H349-D351 VanDerWaalsContact C-N 3.34Å; H349-D351 PolarHBondContact O-N 3.1Å; H349-T352 PolarHBondContact O-OG1 3.4Å
350	D	38.5	Very low	38.7	Very low	134 Å²	134	117.4 Å²	117.4	72%	0.717	66%	0.659	S	S	*	*	H	α-helix	trans	-67.4	-31.8	-179.3	-104.9	-20.5	0	0	0	113.6	S348 T352 H353 S354	S348-D350 VanDerWaalsContact C-N 3.31Å; S348-D350 PolarHBondContact O-N 3.01Å; D350-T352 PolarHBondContact O-N 2.82Å; D350-T352 VanDerWaalsContact O-N 3.12Å; D350-H353 PolarHBondContact O-N 3.03Å; D350-S354 PolarHBondContact O-N 3.46Å
351	D	48.3	Very low	39.8	Very low	92 Å²	92	113.4 Å²	113.4	49%	0.492	64%	0.636	S	S	.	*	H	α-helix	trans	-55.5	-32.4	-178.9	-175.4	53.3	0	0	0	112.9	H349 H353 R355	H349-D351 VanDerWaalsContact C-N 3.34Å; H349-D351 PolarHBondContact O-N 3.1Å; D351-H353 PolarHBondContact O-N 3.19Å; D351-R355 VanDerWaalsContact O-CB 3.23Å; D351-R355 WeakPolarHBondContact O-CB 3.15Å; D351-R355 WeakPolarHBondContact O-CD 3.08Å; D351-R355 VanDerWaalsContact O-CG 3.23Å; D351-R355 WeakPolarHBondContact O-CG 3.35Å; D351-R355 PolarHBondContact O-N 3.23Å; D351-R355 WeakPolarHBondContact OD1-CD 3.48Å; D351-R355 WeakPolarHBondContact OD2-CD 3.4Å; D351-R355 IonicContact OD2-CZ 3.03Å; D351-R355 IonicContact OD2-NE 3.99Å; D351-R355 IonicContact OD2-NH1 3.07Å; D351-R355 PolarHBondContact OD2-NH1 3.34Å
352	T	41.9	Very low	40.3	Very low	67 Å²	67	112.2 Å²	112.2	41%	0.411	62%	0.616	S	S	.	*	H	α-helix	trans	-64.4	-42.8	-178.1	-41.1	0	0	0	0	112.1	H349 D350 I356	H349-T352 PolarHBondContact O-OG1 3.4Å; D350-T352 PolarHBondContact O-N 2.82Å; D350-T352 VanDerWaalsContact O-N 3.12Å; T352-I356 HydrophobicContact CG2-CD1 4.1Å; T352-I356 WeakPolarHBondContact O-CB 3.11Å; T352-I356 WeakPolarHBondContact O-CD1 3.34Å; T352-I356 WeakPolarHBondContact O-CG1 3.19Å; T352-I356 PolarHBondContact O-N 2.8Å
353	H	43.4	Very low	41.3	Very low	129 Å²	129	113 Å²	113	60%	0.597	61%	0.606	S	S	*	*	H	α-helix	trans	-74.1	-45.4	-178.5	-87.1	-78.6	0	0	0	111.9	D350 D351 R355 I356 E357	D350-H353 PolarHBondContact O-N 3.03Å; D351-H353 PolarHBondContact O-N 3.19Å; H353-R355 PolarHBondContact O-N 3.14Å; H353-I356 PolarHBondContact O-N 2.75Å; H353-I356 VanDerWaalsContact O-N 3.16Å; H353-E357 PolarHBondContact O-N 2.75Å
354	S	46.1	Very low	42.5	Very low	73 Å²	73	110.5 Å²	110.5	51%	0.51	59%	0.592	S	S	.	*	H	α-helix	trans	-60.4	-35.4	175.6	-57.9	0	0	0	0	112.1	D350 H358	D350-S354 PolarHBondContact O-N 3.46Å; S354-H358 WeakPolarHBondContact O-CB 3.29Å; S354-H358 PolarHBondContact O-N 3.45Å
355	R	46.4	Very low	43.7	Very low	124 Å²	124	110.6 Å²	110.6	47%	0.468	58%	0.58	S	S	.	*	H	α-helix	trans	-73.3	-40.2	173.9	-73.5	167.1	63.3	-171.8	-2.3	112.5	D351 H353 E357 H358 Y359	D351-R355 VanDerWaalsContact O-CB 3.23Å; D351-R355 WeakPolarHBondContact O-CB 3.15Å; D351-R355 WeakPolarHBondContact O-CD 3.08Å; D351-R355 VanDerWaalsContact O-CG 3.23Å; D351-R355 WeakPolarHBondContact O-CG 3.35Å; D351-R355 PolarHBondContact O-N 3.23Å; D351-R355 WeakPolarHBondContact OD1-CD 3.48Å; D351-R355 WeakPolarHBondContact OD2-CD 3.4Å; D351-R355 IonicContact OD2-CZ 3.03Å; D351-R355 IonicContact OD2-NE 3.99Å; D351-R355 IonicContact OD2-NH1 3.07Å; D351-R355 PolarHBondContact OD2-NH1 3.34Å; H353-R355 PolarHBondContact O-N 3.14Å; R355-E357 VanDerWaalsContact C-N 3.29Å; R355-E357 PolarHBondContact O-N 2.88Å; R355-H358 PolarHBondContact O-N 2.94Å; R355-Y359 HydrophobicContact CB-CD2 4.32Å; R355-Y359 HydrophobicContact CB-CE2 4.2Å; R355-Y359 WeakPolarHBondContact O-CB 3.4Å; R355-Y359 WeakPolarHBondContact O-CD2 3.26Å; R355-Y359 PolarHBondContact O-N 2.82Å
356	I	52.6	Low	43.8	Very low	99 Å²	99	110.2 Å²	110.2	51%	0.508	57%	0.569	S	S	.	*	H	α-helix	trans	-58.8	-43.1	172.7	-74.1	164.4	0	0	0	110.5	T352 H353 Y359 A360	T352-I356 HydrophobicContact CG2-CD1 4.1Å; T352-I356 WeakPolarHBondContact O-CB 3.11Å; T352-I356 WeakPolarHBondContact O-CD1 3.34Å; T352-I356 WeakPolarHBondContact O-CG1 3.19Å; T352-I356 PolarHBondContact O-N 2.8Å; H353-I356 PolarHBondContact O-N 2.75Å; H353-I356 VanDerWaalsContact O-N 3.16Å; I356-Y359 PolarHBondContact O-N 3.35Å; I356-A360 VanDerWaalsContact O-CB 3.29Å; I356-A360 WeakPolarHBondContact O-CB 3.39Å; I356-A360 PolarHBondContact O-N 3.34Å
357	E	48.4	Very low	44.7	Very low	121 Å²	121	108.2 Å²	108.2	57%	0.565	56%	0.56	S	S	*	*	H	α-helix	trans	-59.9	-48.7	174.3	-171.3	163.3	-151.7	0	0	110.9	H353 R355 Y359 A360 S361	H353-E357 PolarHBondContact O-N 2.75Å; R355-E357 VanDerWaalsContact C-N 3.29Å; R355-E357 PolarHBondContact O-N 2.88Å; E357-Y359 PolarHBondContact O-N 2.56Å; E357-A360 PolarHBondContact O-N 3.15Å; E357-S361 PolarHBondContact O-N 3.03Å; E357-S361 PolarHBondContact O-OG 3.17Å
358	H	44.7	Very low	44.9	Very low	113 Å²	113	106.7 Å²	106.7	52%	0.523	55%	0.553	S	S	.	*	H	α-helix	trans	-65.1	-35.6	177.2	-171.3	70.7	0	0	0	114.1	S354 R355 R362	S354-H358 WeakPolarHBondContact O-CB 3.29Å; S354-H358 PolarHBondContact O-N 3.45Å; R355-H358 PolarHBondContact O-N 2.94Å; H358-R362 WeakPolarHBondContact O-CG 3.3Å; H358-R362 PolarHBondContact O-N 2.7Å; H358-R362 VanDerWaalsContact O-N 3.11Å
359	Y	48.8	Very low	45.3	Very low	117 Å²	117	104.7 Å²	104.7	46%	0.459	54%	0.539	S	S	.	.	H	α-helix	trans	-70.5	-37.6	172.8	-76	-67.4	0	0	0	111.7	R355 I356 E357 R362 L363	R355-Y359 HydrophobicContact CB-CD2 4.32Å; R355-Y359 HydrophobicContact CB-CE2 4.2Å; R355-Y359 WeakPolarHBondContact O-CB 3.4Å; R355-Y359 WeakPolarHBondContact O-CD2 3.26Å; R355-Y359 PolarHBondContact O-N 2.82Å; I356-Y359 PolarHBondContact O-N 3.35Å; E357-Y359 PolarHBondContact O-N 2.56Å; Y359-R362 VanDerWaalsContact CE1-NH2 3.3Å; Y359-R362 PolarHBondContact O-N 2.36Å; Y359-L363 WeakPolarHBondContact O-CB 3.45Å; Y359-L363 WeakPolarHBondContact O-CG 3.43Å; Y359-L363 PolarHBondContact O-N 2.68Å
360	A	49.4	Very low	45.2	Very low	56 Å²	56	103.8 Å²	103.8	46%	0.463	54%	0.539	S	S	.	.	H	α-helix	trans	-65.9	-41.5	175.1	0	0	0	0	0	111.7	I356 E357 L363 A364	I356-A360 VanDerWaalsContact O-CB 3.29Å; I356-A360 WeakPolarHBondContact O-CB 3.39Å; I356-A360 PolarHBondContact O-N 3.34Å; E357-A360 PolarHBondContact O-N 3.15Å; A360-L363 PolarHBondContact O-N 2.78Å; A360-A364 PolarHBondContact O-N 3.31Å
361	S	47.9	Very low	45.1	Very low	56 Å²	56	100.3 Å²	100.3	39%	0.392	54%	0.535	S	S	.	.	H	α-helix	trans	-57.9	-51.2	171.5	-62.4	0	0	0	0	111.6	E357 L363 A364 E365	E357-S361 PolarHBondContact O-N 3.03Å; E357-S361 PolarHBondContact O-OG 3.17Å; S361-L363 VanDerWaalsContact C-N 3.31Å; S361-L363 PolarHBondContact O-N 3.43Å; S361-A364 PolarHBondContact O-N 3.41Å; S361-E365 WeakPolarHBondContact O-CG 3.36Å; S361-E365 PolarHBondContact O-N 2.71Å
362	R	45.5	Very low	44.5	Very low	97 Å²	97	99.2 Å²	99.2	37%	0.366	53%	0.534	S	S	.	.	H	α-helix	trans	-67.1	-27.2	179.4	-66.8	-163.1	-53.1	119.9	7.3	114.1	H358 Y359 M366	H358-R362 WeakPolarHBondContact O-CG 3.3Å; H358-R362 PolarHBondContact O-N 2.7Å; H358-R362 VanDerWaalsContact O-N 3.11Å; Y359-R362 VanDerWaalsContact CE1-NH2 3.3Å; Y359-R362 PolarHBondContact O-N 2.36Å; R362-M366 WeakPolarHBondContact O-CB 3.44Å; R362-M366 WeakPolarHBondContact O-CG 3.34Å; R362-M366 PolarHBondContact O-N 3.03Å
363	L	43.3	Very low	44.1	Very low	112 Å²	112	105 Å²	105	59%	0.586	55%	0.55	S	S	*	.	H	α-helix	trans	-69.3	-43.9	171.2	-79.8	165	0	0	0	111.2	Y359 A360 S361 E365 M366 E367	Y359-L363 WeakPolarHBondContact O-CB 3.45Å; Y359-L363 WeakPolarHBondContact O-CG 3.43Å; Y359-L363 PolarHBondContact O-N 2.68Å; A360-L363 PolarHBondContact O-N 2.78Å; S361-L363 VanDerWaalsContact C-N 3.31Å; S361-L363 PolarHBondContact O-N 3.43Å; L363-E365 VanDerWaalsContact C-N 3.33Å; L363-E365 PolarHBondContact O-N 2.81Å; L363-M366 PolarHBondContact O-N 2.89Å; L363-E367 PolarHBondContact O-N 3Å
364	A	50.4	Low	43.6	Very low	58 Å²	58	106.7 Å²	106.7	48%	0.479	56%	0.562	S	S	.	*	H	α-helix	trans	-63.8	-37.5	174	0	0	0	0	0	112.3	A360 S361 N368	A360-A364 PolarHBondContact O-N 3.31Å; S361-A364 PolarHBondContact O-N 3.41Å; A364-N368 VanDerWaalsContact O-CB 3.23Å; A364-N368 WeakPolarHBondContact O-CB 3.31Å; A364-N368 PolarHBondContact O-N 3.07Å; A364-N368 VanDerWaalsContact O-N 3.09Å
365	E	47.3	Very low	43	Very low	118 Å²	118	109.9 Å²	109.9	55%	0.551	57%	0.574	S	S	*	*	H	α-helix	trans	-60.8	-43.8	171.2	-70.8	161.3	-162.6	0	0	111.7	S361 L363 N368 S369	S361-E365 WeakPolarHBondContact O-CG 3.36Å; S361-E365 PolarHBondContact O-N 2.71Å; L363-E365 VanDerWaalsContact C-N 3.33Å; L363-E365 PolarHBondContact O-N 2.81Å; E365-N368 PolarHBondContact O-N 3.25Å; E365-S369 VanDerWaalsContact O-CB 3.23Å; E365-S369 WeakPolarHBondContact O-CB 3.42Å; E365-S369 PolarHBondContact O-N 3.46Å
366	M	40.7	Very low	42.4	Very low	111 Å²	111	111.4 Å²	111.4	55%	0.547	59%	0.591	S	S	.	*	H	α-helix	trans	-68.3	-43.3	178.8	-79.2	-175	168.7	0	0	113.3	R362 L363 N368 S369 N370	R362-M366 WeakPolarHBondContact O-CB 3.44Å; R362-M366 WeakPolarHBondContact O-CG 3.34Å; R362-M366 PolarHBondContact O-N 3.03Å; L363-M366 PolarHBondContact O-N 2.89Å; M366-N368 VanDerWaalsContact C-N 3.32Å; M366-N368 PolarHBondContact O-N 3.28Å; M366-S369 PolarHBondContact O-N 2.81Å; M366-N370 WeakPolarHBondContact O-CB 3.41Å; M366-N370 PolarHBondContact O-N 2.96Å
367	E	45.8	Very low	41.6	Very low	162 Å²	162	111.8 Å²	111.8	76%	0.757	60%	0.603	S	S	*	*	H	α-helix	trans	-61.4	-41.6	175	-73.8	-167.3	132.9	0	0	111.6	L363 G371	L363-E367 PolarHBondContact O-N 3Å; E367-G371 PolarHBondContact O-N 2.77Å
368	N	44.2	Very low	41	Very low	142 Å²	142	113.2 Å²	113.2	76%	0.759	61%	0.613	S	S	*	*	H	α-helix	trans	-74.8	-29.5	-177.8	-156.2	39.6	0	0	0	112.7	A364 E365 M366	A364-N368 VanDerWaalsContact O-CB 3.23Å; A364-N368 WeakPolarHBondContact O-CB 3.31Å; A364-N368 PolarHBondContact O-N 3.07Å; A364-N368 VanDerWaalsContact O-N 3.09Å; E365-N368 PolarHBondContact O-N 3.25Å; M366-N368 VanDerWaalsContact C-N 3.32Å; M366-N368 PolarHBondContact O-N 3.28Å
369	S	39.4	Very low	40.4	Very low	66 Å²	66	111 Å²	111	46%	0.462	61%	0.61	S	S	.	*	H	α-helix	trans	-82.4	-46.3	177.8	-165.8	0	0	0	0	112.7	E365 M366 G371 S372	E365-S369 VanDerWaalsContact O-CB 3.23Å; E365-S369 WeakPolarHBondContact O-CB 3.42Å; E365-S369 PolarHBondContact O-N 3.46Å; M366-S369 PolarHBondContact O-N 2.81Å; S369-G371 PolarHBondContact O-N 3.3Å; S369-S372 PolarHBondContact O-N 2.83Å
370	N	36.8	Very low	39.7	Very low	133 Å²	133	111 Å²	111	71%	0.711	62%	0.624	S	S	*	*	H	α-helix	trans	-68.7	-22.1	-179.8	-77.2	-0.7	0	0	0	113.2	M366 S372	M366-N370 WeakPolarHBondContact O-CB 3.41Å; M366-N370 PolarHBondContact O-N 2.96Å; N370-S372 PolarHBondContact O-N 2.75Å
371	G	35	Very low	39.4	Very low	60 Å²	60	111.2 Å²	111.2	62%	0.619	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	-16.4	175	0	0	0	0	0	114.9	E367 S369	E367-G371 PolarHBondContact O-N 2.77Å; S369-G371 PolarHBondContact O-N 3.3Å
372	S	37.3	Very low	39	Very low	70 Å²	70	114.7 Å²	114.7	49%	0.49	63%	0.628	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.4	-7.7	-165	-165.8	0	0	0	0	116.2	S369 N370	S369-S372 PolarHBondContact O-N 2.83Å; N370-S372 PolarHBondContact O-N 2.75Å
373	Y	33.7	Very low	39	Very low	187 Å²	187	113.8 Å²	113.8	73%	0.733	64%	0.636	S	S	*	*	S	Bend	trans	-118.4	-0.8	-161.6	-75.3	-77.1	0	0	0	117.1
374	L	33	Very low	39	Very low	165 Å²	165	113.1 Å²	113.1	86%	0.864	63%	0.632	S	S	*	*	S	Bend	trans	-138.2	7.8	-175.1	-75.1	177.5	0	0	0	116.5
375	N	32.8	Very low	39.2	Very low	141 Å²	141	114.7 Å²	114.7	75%	0.754	63%	0.633	S	S	*	*	S	Bend	trans	-143.8	13.2	-175.5	-153.9	83.1	0	0	0	116.4
376	D	33.5	Very low	39.5	Very low	155 Å²	155	113.4 Å²	113.4	83%	0.829	63%	0.63	S	S	*	*	S	Bend	trans	-88.9	-3.5	178.2	-112.2	5.6	0	0	0	113.7
377	S	34.7	Very low	40.1	Very low	107 Å²	107	114 Å²	114	75%	0.748	63%	0.631	S	S	*	*	S	Bend	trans	-106.7	46.3	-177.1	51.2	0	0	0	0	114.3
378	I	37.5	Very low	40.6	Very low	151 Å²	151	112 Å²	112	77%	0.774	62%	0.621	S	S	*	*			trans	-167.7	105.8	142.8	-91.5	143.4	0	0	0	106.7
379	S	30.5	Very low	41.3	Very low	67 Å²	67	110.3 Å²	110.3	47%	0.469	61%	0.612	S	S	.	*			trans	-99.6	118.2	173.6	-165.8	0	0	0	0	109.3	N381	S379-N381 PolarHBondContact O-N 3.47Å
380	P	35.5	Very low	41.9	Very low	117 Å²	117	110.7 Å²	110.7	76%	0.76	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	22.9	-175.4	-22.4	34.5	0	0	0	116.1
381	N	41.8	Very low	43.2	Very low	60 Å²	60	109 Å²	109	32%	0.321	60%	0.598	S	S	.	*	T	Hydrogen-bonded Turn	trans	-122.2	-10.4	-170.4	-158	124.6	0	0	0	113.3	K283 S379 D385	K283-N381 WeakPolarHBondContact CE-OD1 3.45Å; K283-N381 PolarHBondContact NZ-OD1 3.44Å; S379-N381 PolarHBondContact O-N 3.47Å; N381-D385 PolarHBondContact ND2-OD2 3.35Å
382	E	40.9	Very low	44.1	Very low	130 Å²	130	111.6 Å²	111.6	61%	0.607	59%	0.594	S	S	*	*	H	α-helix	trans	-76.8	-54.4	176	-72.6	161.5	160.4	0	0	110	I384 D385 D386	E382-I384 PolarHBondContact O-N 3.05Å; E382-D385 PolarHBondContact O-N 3.3Å; E382-D386 PolarHBondContact O-N 3.47Å
383	S	44.2	Very low	44.9	Very low	78 Å²	78	111.5 Å²	111.5	55%	0.545	59%	0.586	S	S	.	*	H	α-helix	trans	-46.5	-22	179.2	170	0	0	0	0	117.6	E387	S383-E387 WeakPolarHBondContact O-CG 3.37Å
384	I	44.4	Very low	45.7	Very low	97 Å²	97	108.9 Å²	108.9	50%	0.497	58%	0.576	S	S	.	*	H	α-helix	trans	-96.5	-35	178.6	-66.7	172.2	0	0	0	111.7	E382 D386 H388	E382-I384 PolarHBondContact O-N 3.05Å; I384-D386 VanDerWaalsContact C-N 3.32Å; I384-H388 PolarHBondContact O-CD2 3.34Å; I384-H388 VanDerWaalsContact O-CD2 3.29Å; I384-H388 PolarHBondContact O-N 3.02Å
385	D	54	Low	47	Very low	91 Å²	91	104 Å²	104	49%	0.487	55%	0.554	S	S	.	*	H	α-helix	trans	-73.1	-31.1	174.6	-75	-40.9	0	0	0	109.8	N381 E382 H388 L389	N381-D385 PolarHBondContact ND2-OD2 3.35Å; E382-D385 PolarHBondContact O-N 3.3Å; D385-H388 PolarHBondContact O-N 3.02Å; D385-L389 WeakPolarHBondContact O-CG 3.49Å; D385-L389 PolarHBondContact O-N 3.16Å
386	D	53.3	Low	48	Very low	92 Å²	92	102.1 Å²	102.1	49%	0.492	54%	0.541	S	S	.	.	H	α-helix	trans	-62.1	-49.5	171.7	-67.2	-28.7	0	0	0	113.3	E382 I384 H388 L389 L390	E382-D386 PolarHBondContact O-N 3.47Å; I384-D386 VanDerWaalsContact C-N 3.32Å; D386-H388 VanDerWaalsContact C-N 3.25Å; D386-H388 PolarHBondContact O-N 3.21Å; D386-L389 PolarHBondContact O-N 2.92Å; D386-L390 WeakPolarHBondContact O-CB 3.36Å; D386-L390 PolarHBondContact O-N 3.34Å
387	E	54.1	Low	49	Very low	122 Å²	122	97.4 Å²	97.4	57%	0.57	52%	0.52	S	S	*	.	H	α-helix	trans	-57.4	-41.5	177.2	-79.2	-173.8	165.1	0	0	111	S383 I391	S383-E387 WeakPolarHBondContact O-CG 3.37Å; E387-I391 WeakPolarHBondContact O-CB 3.14Å; E387-I391 WeakPolarHBondContact O-CD1 3.46Å; E387-I391 WeakPolarHBondContact O-CG1 3.32Å; E387-I391 PolarHBondContact O-N 3.42Å
388	H	55.1	Low	49.8	Very low	120 Å²	120	97.6 Å²	97.6	56%	0.556	51%	0.512	S	S	*	.	H	α-helix	trans	-69.2	-37.8	177.9	-76	-43.2	0	0	0	113.3	I384 D385 D386 Q392	I384-H388 PolarHBondContact O-CD2 3.34Å; I384-H388 VanDerWaalsContact O-CD2 3.29Å; I384-H388 PolarHBondContact O-N 3.02Å; D385-H388 PolarHBondContact O-N 3.02Å; D386-H388 VanDerWaalsContact C-N 3.25Å; D386-H388 PolarHBondContact O-N 3.21Å; H388-Q392 WeakPolarHBondContact O-CB 3.37Å; H388-Q392 PolarHBondContact O-N 3.24Å
389	L	59.3	Low	50.5	Low	108 Å²	108	96.8 Å²	96.8	57%	0.565	51%	0.51	S	S	*	.	H	α-helix	trans	-66.8	-43.5	173.4	-79.4	164.6	0	0	0	112	D385 D386 Q392 H393	D385-L389 WeakPolarHBondContact O-CG 3.49Å; D385-L389 PolarHBondContact O-N 3.16Å; D386-L389 PolarHBondContact O-N 2.92Å; L389-Q392 PolarHBondContact O-N 3.35Å; L389-H393 WeakPolarHBondContact O-CB 3.42Å; L389-H393 PolarHBondContact O-N 3.05Å
390	L	53.4	Low	51.3	Low	73 Å²	73	100.8 Å²	100.8	38%	0.382	52%	0.521	S	S	.	.	H	α-helix	trans	-64.7	-42.7	178.8	-171.5	65.3	0	0	0	111.5	D386 H393 Y394 I413	D386-L390 WeakPolarHBondContact O-CB 3.36Å; D386-L390 PolarHBondContact O-N 3.34Å; L390-H393 PolarHBondContact O-N 2.77Å; L390-Y394 VanDerWaalsContact O-CB 3.3Å; L390-Y394 WeakPolarHBondContact O-CB 3.28Å; L390-Y394 PolarHBondContact O-N 3.49Å; L390-I413 HydrophobicContact CD1-CB 4.48Å; L390-I413 HydrophobicContact CD1-CG2 3.81Å
391	I	62.4	Low	51.9	Low	98 Å²	98	103.2 Å²	103.2	50%	0.503	53%	0.528	S	S	.	.	H	α-helix	trans	-61.2	-44.7	172.2	-70.7	165.1	0	0	0	110.4	E387 H393 Y394 C395	E387-I391 WeakPolarHBondContact O-CB 3.14Å; E387-I391 WeakPolarHBondContact O-CD1 3.46Å; E387-I391 WeakPolarHBondContact O-CG1 3.32Å; E387-I391 PolarHBondContact O-N 3.42Å; I391-H393 PolarHBondContact O-N 3.47Å; I391-Y394 PolarHBondContact O-N 3.12Å; I391-C395 WeakPolarHBondContact O-CB 3.32Å; I391-C395 PolarHBondContact O-N 2.92Å; I391-C395 PolarHBondContact O-SG 2.98Å; I391-C395 VanDerWaalsContact O-SG 3.39Å
392	Q	55.4	Low	51.8	Low	114 Å²	114	104.7 Å²	104.7	53%	0.533	54%	0.543	S	S	.	.	H	α-helix	trans	-62.6	-44.1	178.9	-177.7	172.9	-15.8	0	0	112	H388 L389 C395 Q396	H388-Q392 WeakPolarHBondContact O-CB 3.37Å; H388-Q392 PolarHBondContact O-N 3.24Å; L389-Q392 PolarHBondContact O-N 3.35Å; Q392-C395 PolarHBondContact O-N 2.99Å; Q392-Q396 WeakPolarHBondContact O-CG 3.44Å; Q392-Q396 PolarHBondContact O-N 3.14Å
393	H	52.8	Low	52	Low	68 Å²	68	104.6 Å²	104.6	32%	0.315	55%	0.554	S	S	.	*	H	α-helix	trans	-68.7	-35.9	178.4	-168.2	-90.6	0	0	0	112.3	L389 L390 I391 Q396 S397	L389-H393 WeakPolarHBondContact O-CB 3.42Å; L389-H393 PolarHBondContact O-N 3.05Å; L390-H393 PolarHBondContact O-N 2.77Å; I391-H393 PolarHBondContact O-N 3.47Å; H393-Q396 PolarHBondContact O-N 3.5Å; H393-S397 WeakPolarHBondContact O-CB 3.48Å; H393-S397 PolarHBondContact O-N 2.94Å; H393-S397 PolarHBondContact O-OG 3.34Å
394	Y	50.5	Low	52.3	Low	132 Å²	132	109.6 Å²	109.6	52%	0.518	57%	0.573	S	S	.	*	H	α-helix	trans	-65.2	-45.7	173.1	-171.6	-110.7	0	0	0	111.7	L390 I391 Q396 S397 L398	L390-Y394 VanDerWaalsContact O-CB 3.3Å; L390-Y394 WeakPolarHBondContact O-CB 3.28Å; L390-Y394 PolarHBondContact O-N 3.49Å; I391-Y394 PolarHBondContact O-N 3.12Å; Y394-Q396 VanDerWaalsContact C-N 3.31Å; Y394-Q396 PolarHBondContact O-N 3.21Å; Y394-S397 WeakPolarHBondContact O-CB 3.32Å; Y394-S397 PolarHBondContact O-N 3.01Å; Y394-S397 VanDerWaalsContact O-N 3.14Å; Y394-L398 HydrophobicContact CD1-CD1 3.87Å; Y394-L398 HydrophobicContact CE1-CD1 3.58Å; Y394-L398 HydrophobicContact CE1-CG 4.39Å; Y394-L398 WeakPolarHBondContact O-CG 3.38Å; Y394-L398 PolarHBondContact O-N 3.49Å
395	C	59.9	Low	52.2	Low	62 Å²	62	109.4 Å²	109.4	42%	0.419	58%	0.581	S	S	.	*	H	α-helix	trans	-63.1	-32.9	173.9	-73	0	0	0	0	113.3	I391 Q392 N399	I391-C395 WeakPolarHBondContact O-CB 3.32Å; I391-C395 PolarHBondContact O-N 2.92Å; I391-C395 PolarHBondContact O-SG 2.98Å; I391-C395 VanDerWaalsContact O-SG 3.39Å; Q392-C395 PolarHBondContact O-N 2.99Å; C395-N399 VanDerWaalsContact O-CG 3.31Å; C395-N399 PolarHBondContact O-ND2 2.92Å; C395-N399 VanDerWaalsContact O-ND2 3.11Å
396	Q	54.3	Low	52.1	Low	102 Å²	102	113.8 Å²	113.8	48%	0.477	60%	0.598	S	S	.	*	H	α-helix	trans	-71.3	-36.3	172.3	-74.6	175.2	-11	0	0	112.3	Q392 H393 Y394 L398 N399	Q392-Q396 WeakPolarHBondContact O-CG 3.44Å; Q392-Q396 PolarHBondContact O-N 3.14Å; H393-Q396 PolarHBondContact O-N 3.5Å; Y394-Q396 VanDerWaalsContact C-N 3.31Å; Y394-Q396 PolarHBondContact O-N 3.21Å; Q396-L398 VanDerWaalsContact C-N 3.33Å; Q396-N399 PolarHBondContact O-N 3.14Å
397	S	54.4	Low	51.7	Low	56 Å²	56	115 Å²	115	39%	0.392	61%	0.611	S	S	.	*	H	α-helix	trans	-68.3	-30.5	177.2	-58.7	0	0	0	0	112.9	H393 Y394	H393-S397 WeakPolarHBondContact O-CB 3.48Å; H393-S397 PolarHBondContact O-N 2.94Å; H393-S397 PolarHBondContact O-OG 3.34Å; Y394-S397 WeakPolarHBondContact O-CB 3.32Å; Y394-S397 PolarHBondContact O-N 3.01Å; Y394-S397 VanDerWaalsContact O-N 3.14Å
398	L	52.7	Low	51.7	Low	111 Å²	111	116.1 Å²	116.1	58%	0.581	61%	0.61	S	S	*	*	H	α-helix	trans	-77.9	-17	176.7	-72.9	172.2	0	0	0	114.4	Y394 Q396	Y394-L398 HydrophobicContact CD1-CD1 3.87Å; Y394-L398 HydrophobicContact CE1-CD1 3.58Å; Y394-L398 HydrophobicContact CE1-CG 4.39Å; Y394-L398 WeakPolarHBondContact O-CG 3.38Å; Y394-L398 PolarHBondContact O-N 3.49Å; Q396-L398 VanDerWaalsContact C-N 3.33Å
399	N	51.7	Low	51.8	Low	135 Å²	135	112.9 Å²	112.9	72%	0.722	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.5	15	-172.4	-76	-21.7	0	0	0	114.1	C395 Q396	C395-N399 VanDerWaalsContact O-CG 3.31Å; C395-N399 PolarHBondContact O-ND2 2.92Å; C395-N399 VanDerWaalsContact O-ND2 3.11Å; Q396-N399 PolarHBondContact O-N 3.14Å
400	Q	47.2	Very low	51.4	Low	151 Å²	151	112.2 Å²	112.2	71%	0.706	60%	0.603	S	S	*	*			trans	-105.2	90.3	178	-67	-169.8	24.5	0	0	111.7	S402	Q400-S402 PolarHBondContact O-N 3.29Å
401	D	48.1	Very low	51.5	Low	167 Å²	167	111.5 Å²	111.5	89%	0.893	61%	0.608	S	S	*	*			trans	-67	91.8	170.8	-78.2	-50.8	0	0	0	111.3
402	S	38.8	Very low	51.3	Low	91 Å²	91	111.8 Å²	111.8	64%	0.636	61%	0.607	S	S	*	*			trans	-154.4	134.8	164.4	-82	0	0	0	0	112.2	Q400 L404	Q400-S402 PolarHBondContact O-N 3.29Å; S402-L404 PolarHBondContact O-N 3.08Å; S402-L404 VanDerWaalsContact O-N 3.15Å
403	P	46.8	Very low	51.5	Low	129 Å²	129	106.6 Å²	106.6	84%	0.838	58%	0.582	S	S	*	*	S	Bend	trans	-91.3	79.8	-165.8	35.8	-36.3	0	0	0	113
404	L	49.5	Very low	51.6	Low	183 Å²	183	107.7 Å²	107.7	96%	0.958	59%	0.59	S	S	*	*	S	Bend	trans	179.3	52.1	153.3	-101	161.7	0	0	0	113.3	S402	S402-L404 PolarHBondContact O-N 3.08Å; S402-L404 VanDerWaalsContact O-N 3.15Å
405	S	43.2	Very low	52.4	Low	93 Å²	93	106.6 Å²	106.6	65%	0.65	59%	0.592	S	S	*	*			trans	-136.4	113	175.5	33.7	0	0	0	0	111.5
406	Q	50.6	Low	52.4	Low	183 Å²	183	105.6 Å²	105.6	86%	0.855	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-66.1	137.4	170.7	-166.6	172.5	13.3	0	0	108.9	R408	Q406-R408 PolarHBondContact O-N 3Å
407	P	44.7	Very low	52.5	Low	117 Å²	117	104 Å²	104	76%	0.76	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-61.5	122.6	-177.7	24	-33.7	0	0	0	110.3	S409	P407-S409 PolarHBondContact O-N 3.09Å
408	R	55.7	Low	52.7	Low	146 Å²	146	106.5 Å²	106.5	55%	0.551	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-59.6	128.9	176	-70.7	-172.7	-178.4	-170.4	3.7	109	Q406 Q412 I413 S416	Q406-R408 PolarHBondContact O-N 3Å; R408-Q412 HydrophobicContact CB-CB 4.33Å; R408-I413 HydrophobicContact CB-CG1 4.09Å; R408-S416 PolarHBondContact NH1-OG 2.89Å
409	S	57	Low	53.4	Low	52 Å²	52	105.1 Å²	105.1	36%	0.364	59%	0.585	S	S	.	*	P	Polyproline II helix	trans	-68.7	156	175.2	71.6	0	0	0	0	110.5	P407 A411 Q412 I413	P407-S409 PolarHBondContact O-N 3.09Å; S409-A411 PolarHBondContact O-N 2.79Å; S409-A411 VanDerWaalsContact O-N 3.14Å; S409-Q412 WeakPolarHBondContact O-CB 3.47Å; S409-Q412 PolarHBondContact O-N 3Å; S409-Q412 WeakPolarHBondContact OG-CG 3.29Å; S409-Q412 PolarHBondContact OG-N 3.13Å; S409-I413 PolarHBondContact O-N 3.17Å; S409-I413 VanDerWaalsContact O-N 3.15Å
410	P	49.2	Very low	54	Low	94 Å²	94	105.6 Å²	105.6	61%	0.61	58%	0.583	S	S	*	*	H	α-helix	trans	-53.5	-36.5	177.9	-29.2	36.5	0	0	0	113.3	Q412 I413 L414	P410-Q412 PolarHBondContact O-N 2.95Å; P410-I413 PolarHBondContact O-N 3.48Å; P410-L414 PolarHBondContact O-N 3.33Å
411	A	55.6	Low	54.6	Low	58 Å²	58	104.7 Å²	104.7	48%	0.479	58%	0.579	S	S	.	*	H	α-helix	trans	-63.5	-37.9	174.4	0	0	0	0	0	113.2	S409 I413 L414 I415	S409-A411 PolarHBondContact O-N 2.79Å; S409-A411 VanDerWaalsContact O-N 3.14Å; A411-I413 VanDerWaalsContact C-N 3.3Å; A411-I413 PolarHBondContact O-N 3.37Å; A411-L414 PolarHBondContact O-N 3.08Å; A411-I415 WeakPolarHBondContact O-CB 3.41Å; A411-I415 WeakPolarHBondContact O-CD1 3.19Å; A411-I415 VanDerWaalsContact O-CG1 3.23Å; A411-I415 WeakPolarHBondContact O-CG1 3.38Å; A411-I415 PolarHBondContact O-N 2.71Å
412	Q	59.6	Low	55.4	Low	103 Å²	103	104.3 Å²	104.3	48%	0.481	57%	0.565	S	S	.	*	H	α-helix	trans	-70.2	-27.1	175.7	-71.2	171	-27.3	0	0	112.7	R408 S409 P410 S416	R408-Q412 HydrophobicContact CB-CB 4.33Å; S409-Q412 WeakPolarHBondContact O-CB 3.47Å; S409-Q412 PolarHBondContact O-N 3Å; S409-Q412 WeakPolarHBondContact OG-CG 3.29Å; S409-Q412 PolarHBondContact OG-N 3.13Å; P410-Q412 PolarHBondContact O-N 2.95Å; Q412-S416 PolarHBondContact O-N 3.48Å; Q412-S416 PolarHBondContact O-OG 3.14Å
413	I	59.3	Low	57.2	Low	5 Å²	5	101.6 Å²	101.6	3%	0.026	55%	0.551	C	S	.	*	H	α-helix	trans	-73.1	-46	172.7	-61.9	171.2	0	0	0	109.5	L390 R408 S409 P410 A411 I415 S416 L417	L390-I413 HydrophobicContact CD1-CB 4.48Å; L390-I413 HydrophobicContact CD1-CG2 3.81Å; R408-I413 HydrophobicContact CB-CG1 4.09Å; S409-I413 PolarHBondContact O-N 3.17Å; S409-I413 VanDerWaalsContact O-N 3.15Å; P410-I413 PolarHBondContact O-N 3.48Å; A411-I413 VanDerWaalsContact C-N 3.3Å; A411-I413 PolarHBondContact O-N 3.37Å; I413-I415 PolarHBondContact O-N 2.9Å; I413-S416 WeakPolarHBondContact O-CB 3.48Å; I413-S416 PolarHBondContact O-N 2.9Å; I413-L417 HydrophobicContact CG2-CD1 4.25Å; I413-L417 PolarHBondContact O-N 3.19Å; I413-L417 VanDerWaalsContact O-N 3.08Å
414	L	55.2	Low	58.2	Low	92 Å²	92	100.1 Å²	100.1	48%	0.482	53%	0.533	S	S	.	.	H	α-helix	trans	-57.5	-50.2	177.4	-155.6	77.6	0	0	0	111.8	P410 A411 S416 L417 E418	P410-L414 PolarHBondContact O-N 3.33Å; A411-L414 PolarHBondContact O-N 3.08Å; L414-S416 PolarHBondContact O-N 3.32Å; L414-L417 PolarHBondContact O-N 2.93Å; L414-E418 WeakPolarHBondContact O-CG 3.5Å; L414-E418 PolarHBondContact O-N 3.37Å
415	I	65.9	Low	58.7	Low	108 Å²	108	97.1 Å²	97.1	55%	0.554	52%	0.517	S	S	*	.	H	α-helix	trans	-60.4	-29.2	176.5	-67.2	163.5	0	0	0	112.1	A411 I413 S419	A411-I415 WeakPolarHBondContact O-CB 3.41Å; A411-I415 WeakPolarHBondContact O-CD1 3.19Å; A411-I415 VanDerWaalsContact O-CG1 3.23Å; A411-I415 WeakPolarHBondContact O-CG1 3.38Å; A411-I415 PolarHBondContact O-N 2.71Å; I413-I415 PolarHBondContact O-N 2.9Å; I415-S419 VanDerWaalsContact O-CB 3.3Å; I415-S419 WeakPolarHBondContact O-CB 3.49Å; I415-S419 PolarHBondContact O-N 3.05Å
416	S	61.7	Low	60.2	Low	41 Å²	41	97.6 Å²	97.6	29%	0.287	51%	0.509	S	S	.	.	H	α-helix	trans	-70.7	-42	174.7	-57.5	0	0	0	0	111.4	R408 Q412 I413 L414 S419 E420	R408-S416 PolarHBondContact NH1-OG 2.89Å; Q412-S416 PolarHBondContact O-N 3.48Å; Q412-S416 PolarHBondContact O-OG 3.14Å; I413-S416 WeakPolarHBondContact O-CB 3.48Å; I413-S416 PolarHBondContact O-N 2.9Å; L414-S416 PolarHBondContact O-N 3.32Å; S416-S419 PolarHBondContact O-N 2.94Å; S416-E420 PolarHBondContact O-N 3.36Å; S416-E420 VanDerWaalsContact O-N 3.09Å
417	L	55.2	Low	61.8	Low	70 Å²	70	94.9 Å²	94.9	37%	0.366	49%	0.491	S	S	.	.	H	α-helix	trans	-68.8	-47.7	179.1	-66.7	167.6	0	0	0	111.3	I413 L414 S419 E420 E421	I413-L417 HydrophobicContact CG2-CD1 4.25Å; I413-L417 PolarHBondContact O-N 3.19Å; I413-L417 VanDerWaalsContact O-N 3.08Å; L414-L417 PolarHBondContact O-N 2.93Å; L417-S419 PolarHBondContact O-N 3.33Å; L417-E420 PolarHBondContact O-N 3.02Å; L417-E421 PolarHBondContact O-N 3.24Å
418	E	59.4	Low	63.1	Low	108 Å²	108	93.1 Å²	93.1	51%	0.505	48%	0.475	S	S	.	.	H	α-helix	trans	-54.1	-36	173.2	-69.4	172	170.8	0	0	111.7	L414 R422	L414-E418 WeakPolarHBondContact O-CG 3.5Å; L414-E418 PolarHBondContact O-N 3.37Å; E418-R422 WeakPolarHBondContact O-CB 3.14Å; E418-R422 PolarHBondContact O-N 3.17Å
419	S	66.2	Low	63.8	Low	81 Å²	81	91.1 Å²	91.1	57%	0.566	47%	0.474	S	S	*	.	H	α-helix	trans	-73.9	-31.6	176.3	-174.3	0	0	0	0	113.8	I415 S416 L417 G423	I415-S419 VanDerWaalsContact O-CB 3.3Å; I415-S419 WeakPolarHBondContact O-CB 3.49Å; I415-S419 PolarHBondContact O-N 3.05Å; S416-S419 PolarHBondContact O-N 2.94Å; L417-S419 PolarHBondContact O-N 3.33Å; S419-G423 PolarHBondContact O-N 3.19Å
420	E	66	Low	65.1	Low	146 Å²	146	90.9 Å²	90.9	68%	0.682	48%	0.475	S	S	*	.	H	α-helix	trans	-77.4	-42.3	176.1	-74.7	-172.4	162	0	0	111.4	S416 L417 G423 E424	S416-E420 PolarHBondContact O-N 3.36Å; S416-E420 VanDerWaalsContact O-N 3.09Å; L417-E420 PolarHBondContact O-N 3.02Å; E420-G423 CarbonylContact O-C 3.5Å; E420-G423 WeakPolarHBondContact O-CA 3.36Å; E420-G423 PolarHBondContact O-N 2.93Å; E420-G423 VanDerWaalsContact O-N 3.13Å; E420-E424 PolarHBondContact O-N 3.27Å
421	E	58.5	Low	66.6	Low	132 Å²	132	91 Å²	91	62%	0.617	47%	0.471	S	S	*	.	H	α-helix	trans	-62.9	-43.3	175	-69.1	-172	150.5	0	0	111.8	L417 G423 E424 L425	L417-E421 PolarHBondContact O-N 3.24Å; E421-G423 VanDerWaalsContact C-N 3.29Å; E421-G423 PolarHBondContact O-N 2.86Å; E421-E424 PolarHBondContact O-N 3.23Å; E421-E424 VanDerWaalsContact O-N 3.09Å; E421-L425 PolarHBondContact O-N 3.44Å
422	R	65.6	Low	67.4	Low	159 Å²	159	92.9 Å²	92.9	60%	0.6	47%	0.472	S	S	*	.	H	α-helix	trans	-58.5	-41.5	171.4	179.4	177.9	170.3	145.9	9.5	111.8	E418 E424 L425 E426	E418-R422 WeakPolarHBondContact O-CB 3.14Å; E418-R422 PolarHBondContact O-N 3.17Å; R422-E424 VanDerWaalsContact C-N 3.27Å; R422-E424 PolarHBondContact O-N 3.33Å; R422-L425 PolarHBondContact O-N 3.33Å; R422-E426 HydrophobicContact CG-CG 4.39Å; R422-E426 IonicContact CZ-OE1 3.9Å; R422-E426 IonicContact NE-OE1 3.51Å; R422-E426 PolarHBondContact NE-OE1 3.14Å; R422-E426 IonicContact NH2-OE1 3.52Å; R422-E426 PolarHBondContact NH2-OE1 3.15Å; R422-E426 WeakPolarHBondContact O-CB 3.18Å; R422-E426 WeakPolarHBondContact O-CG 3.45Å; R422-E426 PolarHBondContact O-N 2.91Å
423	G	76.3	Confident	68.5	Low	33 Å²	33	92.7 Å²	92.7	34%	0.34	47%	0.471	S	S	.	.	H	α-helix	trans	-68.8	-20.1	175.8	0	0	0	0	0	114.4	S419 E420 E421	S419-G423 PolarHBondContact O-N 3.19Å; E420-G423 CarbonylContact O-C 3.5Å; E420-G423 WeakPolarHBondContact O-CA 3.36Å; E420-G423 PolarHBondContact O-N 2.93Å; E420-G423 VanDerWaalsContact O-N 3.13Å; E421-G423 VanDerWaalsContact C-N 3.29Å; E421-G423 PolarHBondContact O-N 2.86Å
424	E	67.6	Low	69.8	Low	98 Å²	98	97.8 Å²	97.8	46%	0.458	50%	0.495	S	S	.	.	H	α-helix	trans	-81.7	-42.6	168.9	-177.4	128.8	-87	0	0	111.6	E420 E421 R422 R427 I428	E420-E424 PolarHBondContact O-N 3.27Å; E421-E424 PolarHBondContact O-N 3.23Å; E421-E424 VanDerWaalsContact O-N 3.09Å; R422-E424 VanDerWaalsContact C-N 3.27Å; R422-E424 PolarHBondContact O-N 3.33Å; E424-R427 VanDerWaalsContact O-CB 3.28Å; E424-R427 WeakPolarHBondContact O-CB 3.28Å; E424-R427 PolarHBondContact O-N 3.34Å; E424-R427 IonicContact OE1-CZ 2.93Å; E424-R427 IonicContact OE1-NH1 3.91Å; E424-R427 PolarHBondContact OE1-NH1 3.21Å; E424-R427 IonicContact OE1-NH2 2.78Å; E424-R427 PolarHBondContact OE1-NH2 2.87Å; E424-I428 HydrophobicContact CG-CD1 3.86Å; E424-I428 WeakPolarHBondContact O-CG1 3.39Å; E424-I428 PolarHBondContact O-N 2.99Å
425	L	59.5	Low	70.9	Confident	121 Å²	121	99.5 Å²	99.5	63%	0.634	50%	0.501	S	S	*	.	H	α-helix	trans	-60.8	-46.2	174.4	-80.4	160.9	0	0	0	112.6	E421 R422 R427 I428 L429	E421-L425 PolarHBondContact O-N 3.44Å; R422-L425 PolarHBondContact O-N 3.33Å; L425-R427 PolarHBondContact O-N 3.22Å; L425-I428 PolarHBondContact O-N 2.68Å; L425-L429 WeakPolarHBondContact O-CB 3.46Å; L425-L429 PolarHBondContact O-N 3.46Å
426	E	76.2	Confident	71.3	Confident	102 Å²	102	99.4 Å²	99.4	48%	0.477	50%	0.501	S	S	.	.	H	α-helix	trans	-63.5	-28.9	176	-72.6	177.1	178.3	0	0	111.8	R422 A430	R422-E426 HydrophobicContact CG-CG 4.39Å; R422-E426 IonicContact CZ-OE1 3.9Å; R422-E426 IonicContact NE-OE1 3.51Å; R422-E426 PolarHBondContact NE-OE1 3.14Å; R422-E426 IonicContact NH2-OE1 3.52Å; R422-E426 PolarHBondContact NH2-OE1 3.15Å; R422-E426 WeakPolarHBondContact O-CB 3.18Å; R422-E426 WeakPolarHBondContact O-CG 3.45Å; R422-E426 PolarHBondContact O-N 2.91Å; E426-A430 PolarHBondContact O-N 3.48Å
427	R	82.6	Confident	72.6	Confident	126 Å²	126	103.5 Å²	103.5	48%	0.475	51%	0.511	S	S	.	.	H	α-helix	trans	-70.7	-50.2	172.7	-129.3	-168.7	-49.3	115.3	-2	112.4	E424 L425 L429 A430 D431	E424-R427 VanDerWaalsContact O-CB 3.28Å; E424-R427 WeakPolarHBondContact O-CB 3.28Å; E424-R427 PolarHBondContact O-N 3.34Å; E424-R427 IonicContact OE1-CZ 2.93Å; E424-R427 IonicContact OE1-NH1 3.91Å; E424-R427 PolarHBondContact OE1-NH1 3.21Å; E424-R427 IonicContact OE1-NH2 2.78Å; E424-R427 PolarHBondContact OE1-NH2 2.87Å; L425-R427 PolarHBondContact O-N 3.22Å; R427-L429 PolarHBondContact O-N 3.48Å; R427-A430 WeakPolarHBondContact O-CB 3.35Å; R427-A430 PolarHBondContact O-N 2.98Å; R427-A430 VanDerWaalsContact O-N 3.1Å; R427-D431 PolarHBondContact O-N 3.19Å
428	I	73.3	Confident	74	Confident	81 Å²	81	104.7 Å²	104.7	42%	0.415	52%	0.517	S	S	.	.	H	α-helix	trans	-62.8	-36.2	-179.9	-68.1	163.7	0	0	0	110.1	E424 L425 L432	E424-I428 HydrophobicContact CG-CD1 3.86Å; E424-I428 WeakPolarHBondContact O-CG1 3.39Å; E424-I428 PolarHBondContact O-N 2.99Å; L425-I428 PolarHBondContact O-N 2.68Å; I428-L432 HydrophobicContact CG2-CD1 3.89Å; I428-L432 HydrophobicContact CG2-CG 4.43Å; I428-L432 WeakPolarHBondContact O-CB 3.48Å; I428-L432 VanDerWaalsContact O-CG 3.24Å; I428-L432 WeakPolarHBondContact O-CG 3.32Å; I428-L432 PolarHBondContact O-N 2.98Å
429	L	70.3	Confident	74.9	Confident	104 Å²	104	105.1 Å²	105.1	55%	0.545	52%	0.522	S	S	.	.	H	α-helix	trans	-61.9	-46.7	172.4	-168.6	72.7	0	0	0	111.4	L425 R427 L432 E433	L425-L429 WeakPolarHBondContact O-CB 3.46Å; L425-L429 PolarHBondContact O-N 3.46Å; R427-L429 PolarHBondContact O-N 3.48Å; L429-L432 PolarHBondContact O-N 3.32Å; L429-E433 WeakPolarHBondContact O-CB 3.27Å; L429-E433 WeakPolarHBondContact O-CG 3.47Å; L429-E433 PolarHBondContact O-N 2.98Å
430	A	84.6	Confident	75.6	Confident	46 Å²	46	105.7 Å²	105.7	38%	0.38	52%	0.516	S	S	.	.	H	α-helix	trans	-64	-40.8	178.5	0	0	0	0	0	113.1	E426 R427 E433 E434	E426-A430 PolarHBondContact O-N 3.48Å; R427-A430 WeakPolarHBondContact O-CB 3.35Å; R427-A430 PolarHBondContact O-N 2.98Å; R427-A430 VanDerWaalsContact O-N 3.1Å; A430-E433 PolarHBondContact O-N 2.83Å; A430-E434 PolarHBondContact O-N 3.43Å
431	D	80.8	Confident	76.5	Confident	98 Å²	98	101.6 Å²	101.6	52%	0.524	51%	0.507	S	S	.	.	H	α-helix	trans	-61.7	-47.5	174.6	-69.9	-20.2	0	0	0	110.8	R427 E434 E435	R427-D431 PolarHBondContact O-N 3.19Å; D431-E434 PolarHBondContact O-N 2.98Å; D431-E434 VanDerWaalsContact O-N 3.11Å; D431-E435 PolarHBondContact O-N 2.82Å
432	L	71.1	Confident	77.5	Confident	97 Å²	97	99.6 Å²	99.6	51%	0.508	50%	0.498	S	S	.	.	H	α-helix	trans	-65.8	-37.9	178	-74.4	170	0	0	0	112.6	I428 L429 E434 E435 N436	I428-L432 HydrophobicContact CG2-CD1 3.89Å; I428-L432 HydrophobicContact CG2-CG 4.43Å; I428-L432 WeakPolarHBondContact O-CB 3.48Å; I428-L432 VanDerWaalsContact O-CG 3.24Å; I428-L432 WeakPolarHBondContact O-CG 3.32Å; I428-L432 PolarHBondContact O-N 2.98Å; L429-L432 PolarHBondContact O-N 3.32Å; L432-E434 VanDerWaalsContact C-N 3.27Å; L432-E434 PolarHBondContact O-N 3.28Å; L432-E435 PolarHBondContact O-N 2.93Å; L432-N436 VanDerWaalsContact O-CB 3.26Å; L432-N436 WeakPolarHBondContact O-CB 3.44Å; L432-N436 PolarHBondContact O-N 2.81Å
433	E	82.9	Confident	77.8	Confident	98 Å²	98	99 Å²	99	46%	0.458	50%	0.497	S	S	.	.	H	α-helix	trans	-64.3	-32.8	171.6	-74.7	-174.1	-174.5	0	0	112	L429 A430 R437	L429-E433 WeakPolarHBondContact O-CB 3.27Å; L429-E433 WeakPolarHBondContact O-CG 3.47Å; L429-E433 PolarHBondContact O-N 2.98Å; A430-E433 PolarHBondContact O-N 2.83Å; E433-R437 WeakPolarHBondContact O-CB 3.49Å; E433-R437 VanDerWaalsContact O-CG 3.26Å; E433-R437 WeakPolarHBondContact O-CG 3.45Å; E433-R437 PolarHBondContact O-N 3.27Å; E433-R437 PolarHBondContact O-NE 3.45Å; E433-R437 IonicContact OE2-NH1 3.11Å; E433-R437 PolarHBondContact OE2-NH1 2.87Å; E433-R437 VanDerWaalsContact OE2-NH1 3.11Å
434	E	86.9	Confident	77.9	Confident	112 Å²	112	100 Å²	100	52%	0.523	49%	0.494	S	S	.	.	H	α-helix	trans	-71.8	-44.3	175.7	-167	164.9	138.9	0	0	112.2	A430 D431 L432 N436 R437 N438	A430-E434 PolarHBondContact O-N 3.43Å; D431-E434 PolarHBondContact O-N 2.98Å; D431-E434 VanDerWaalsContact O-N 3.11Å; L432-E434 VanDerWaalsContact C-N 3.27Å; L432-E434 PolarHBondContact O-N 3.28Å; E434-N436 VanDerWaalsContact C-N 3.27Å; E434-N436 PolarHBondContact O-N 3.35Å; E434-R437 PolarHBondContact O-N 2.84Å; E434-N438 WeakPolarHBondContact O-CB 3.29Å; E434-N438 VanDerWaalsContact O-CG 3.24Å; E434-N438 PolarHBondContact O-N 3.12Å; E434-N438 PolarHBondContact O-ND2 3.43Å; E434-N438 VanDerWaalsContact O-ND2 3.12Å
435	E	78.6	Confident	78.7	Confident	128 Å²	128	101.5 Å²	101.5	60%	0.598	50%	0.496	S	S	*	.	H	α-helix	trans	-57.9	-41.6	171	-71	-163.6	147.7	0	0	111.3	D431 L432 N438 L439	D431-E435 PolarHBondContact O-N 2.82Å; L432-E435 PolarHBondContact O-N 2.93Å; E435-N438 PolarHBondContact O-N 2.85Å; E435-L439 WeakPolarHBondContact O-CB 3.32Å; E435-L439 VanDerWaalsContact O-CG 3.3Å; E435-L439 WeakPolarHBondContact O-CG 3.32Å; E435-L439 PolarHBondContact O-N 2.97Å
436	N	74.7	Confident	79.2	Confident	106 Å²	106	100.3 Å²	100.3	57%	0.567	49%	0.49	S	S	*	.	H	α-helix	trans	-67.7	-40	178.5	-156.8	-1.2	0	0	0	112.2	L432 E434 N438 L439 Q440	L432-N436 VanDerWaalsContact O-CB 3.26Å; L432-N436 WeakPolarHBondContact O-CB 3.44Å; L432-N436 PolarHBondContact O-N 2.81Å; E434-N436 VanDerWaalsContact C-N 3.27Å; E434-N436 PolarHBondContact O-N 3.35Å; N436-N438 VanDerWaalsContact C-N 3.34Å; N436-N438 PolarHBondContact O-N 3.48Å; N436-L439 PolarHBondContact O-N 3.38Å; N436-Q440 WeakPolarHBondContact O-CB 3.39Å; N436-Q440 PolarHBondContact O-N 3.37Å
437	R	89.1	Confident	78.9	Confident	128 Å²	128	100 Å²	100	48%	0.483	49%	0.487	S	S	.	.	H	α-helix	trans	-59.3	-42.9	170.2	-77	-179	-66.1	-98.5	2.7	111.9	E433 E434 A441	E433-R437 WeakPolarHBondContact O-CB 3.49Å; E433-R437 VanDerWaalsContact O-CG 3.26Å; E433-R437 WeakPolarHBondContact O-CG 3.45Å; E433-R437 PolarHBondContact O-N 3.27Å; E433-R437 PolarHBondContact O-NE 3.45Å; E433-R437 IonicContact OE2-NH1 3.11Å; E433-R437 PolarHBondContact OE2-NH1 2.87Å; E433-R437 VanDerWaalsContact OE2-NH1 3.11Å; E434-R437 PolarHBondContact O-N 2.84Å; R437-A441 WeakPolarHBondContact O-CB 3.15Å; R437-A441 PolarHBondContact O-N 3.38Å
438	N	85.1	Confident	78.5	Confident	95 Å²	95	100 Å²	100	51%	0.508	49%	0.492	S	S	.	.	H	α-helix	trans	-68.9	-43.3	179.8	-71.5	-33.1	0	0	0	112.1	E434 E435 N436 A441 E442	E434-N438 WeakPolarHBondContact O-CB 3.29Å; E434-N438 VanDerWaalsContact O-CG 3.24Å; E434-N438 PolarHBondContact O-N 3.12Å; E434-N438 PolarHBondContact O-ND2 3.43Å; E434-N438 VanDerWaalsContact O-ND2 3.12Å; E435-N438 PolarHBondContact O-N 2.85Å; N436-N438 VanDerWaalsContact C-N 3.34Å; N436-N438 PolarHBondContact O-N 3.48Å; N438-A441 PolarHBondContact O-N 2.92Å; N438-E442 PolarHBondContact O-N 3.41Å
439	L	77.8	Confident	78.3	Confident	116 Å²	116	100.6 Å²	100.6	61%	0.607	49%	0.493	S	S	*	.	H	α-helix	trans	-63.2	-40.7	174.7	-73.9	169.1	0	0	0	111.9	E435 N436 E442 Y443	E435-L439 WeakPolarHBondContact O-CB 3.32Å; E435-L439 VanDerWaalsContact O-CG 3.3Å; E435-L439 WeakPolarHBondContact O-CG 3.32Å; E435-L439 PolarHBondContact O-N 2.97Å; N436-L439 PolarHBondContact O-N 3.38Å; L439-E442 PolarHBondContact O-N 2.93Å; L439-Y443 WeakPolarHBondContact O-CB 3.42Å; L439-Y443 PolarHBondContact O-N 3.36Å
440	Q	80.3	Confident	77.8	Confident	94 Å²	94	101 Å²	101	44%	0.439	49%	0.492	S	S	.	.	H	α-helix	trans	-63.8	-41.9	174.7	-173.9	59.8	55.2	0	0	111.5	N436 Y443 D444	N436-Q440 WeakPolarHBondContact O-CB 3.39Å; N436-Q440 PolarHBondContact O-N 3.37Å; Q440-Y443 WeakPolarHBondContact O-CB 3.5Å; Q440-Y443 PolarHBondContact O-N 3.2Å; Q440-D444 PolarHBondContact NE2-OD2 3.23Å; Q440-D444 PolarHBondContact O-N 2.94Å
441	A	85.5	Confident	76.2	Confident	60 Å²	60	103.6 Å²	103.6	50%	0.496	50%	0.496	S	S	.	.	H	α-helix	trans	-65.8	-36.9	175.9	0	0	0	0	0	113	R437 N438 R445	R437-A441 WeakPolarHBondContact O-CB 3.15Å; R437-A441 PolarHBondContact O-N 3.38Å; N438-A441 PolarHBondContact O-N 2.92Å; A441-R445 VanDerWaalsContact O-CB 3.31Å; A441-R445 WeakPolarHBondContact O-CB 3.35Å; A441-R445 PolarHBondContact O-N 2.91Å
442	E	79.5	Confident	75	Confident	90 Å²	90	107.7 Å²	107.7	42%	0.421	51%	0.512	S	S	.	.	H	α-helix	trans	-72.6	-36.4	173.8	-172.2	134.2	-121.7	0	0	112	N438 L439 R445 L446	N438-E442 PolarHBondContact O-N 3.41Å; L439-E442 PolarHBondContact O-N 2.93Å; E442-R445 PolarHBondContact O-N 3.28Å; E442-R445 IonicContact OE1-CZ 3.39Å; E442-R445 IonicContact OE1-NH1 2.77Å; E442-R445 PolarHBondContact OE1-NH1 3.33Å; E442-R445 IonicContact OE1-NH2 3.57Å; E442-L446 HydrophobicContact CG-CD1 4.16Å; E442-L446 HydrophobicContact CG-CG 4.47Å; E442-L446 WeakPolarHBondContact O-CB 3.43Å; E442-L446 VanDerWaalsContact O-CG 3.27Å; E442-L446 WeakPolarHBondContact O-CG 3.48Å; E442-L446 PolarHBondContact O-N 3.08Å
443	Y	70.8	Confident	74.3	Confident	146 Å²	146	111 Å²	111	57%	0.573	52%	0.522	S	S	*	.	H	α-helix	trans	-58.8	-49.9	170.4	175.6	-89.9	0	0	0	111.5	L439 Q440 R445 L446 K447	L439-Y443 WeakPolarHBondContact O-CB 3.42Å; L439-Y443 PolarHBondContact O-N 3.36Å; Q440-Y443 WeakPolarHBondContact O-CB 3.5Å; Q440-Y443 PolarHBondContact O-N 3.2Å; Y443-R445 VanDerWaalsContact C-N 3.33Å; Y443-R445 PolarHBondContact O-N 3.39Å; Y443-L446 PolarHBondContact O-N 3.44Å; Y443-K447 HydrophobicContact CE1-CD 4.29Å; Y443-K447 WeakPolarHBondContact O-CB 3.4Å; Y443-K447 PolarHBondContact O-N 3.46Å
444	D	78.9	Confident	72.6	Confident	55 Å²	55	109.2 Å²	109.2	29%	0.294	53%	0.53	S	S	.	.	H	α-helix	trans	-67.4	-32.8	179.2	-77.3	-48.8	0	0	0	112.2	Q440 Q448	Q440-D444 PolarHBondContact NE2-OD2 3.23Å; Q440-D444 PolarHBondContact O-N 2.94Å; D444-Q448 WeakPolarHBondContact O-CB 3.31Å; D444-Q448 VanDerWaalsContact O-CG 3.25Å; D444-Q448 WeakPolarHBondContact O-CG 3.24Å; D444-Q448 PolarHBondContact O-N 3.06Å
445	R	84.8	Confident	70.8	Confident	128 Å²	128	109.3 Å²	109.3	48%	0.483	53%	0.534	S	S	.	.	H	α-helix	trans	-64.5	-43.6	169.4	172.2	179.2	148.4	-139.2	-16.6	112.2	A441 E442 Y443 Q448 Q449	A441-R445 VanDerWaalsContact O-CB 3.31Å; A441-R445 WeakPolarHBondContact O-CB 3.35Å; A441-R445 PolarHBondContact O-N 2.91Å; E442-R445 PolarHBondContact O-N 3.28Å; E442-R445 IonicContact OE1-CZ 3.39Å; E442-R445 IonicContact OE1-NH1 2.77Å; E442-R445 PolarHBondContact OE1-NH1 3.33Å; E442-R445 IonicContact OE1-NH2 3.57Å; Y443-R445 VanDerWaalsContact C-N 3.33Å; Y443-R445 PolarHBondContact O-N 3.39Å; R445-Q448 PolarHBondContact O-N 3.22Å; R445-Q449 WeakPolarHBondContact O-CG 3.48Å; R445-Q449 PolarHBondContact O-N 2.71Å
446	L	69.2	Low	69	Low	97 Å²	97	108.2 Å²	108.2	51%	0.508	54%	0.54	S	S	.	.	H	α-helix	trans	-66.8	-39.7	177.4	-75.1	167.6	0	0	0	111.4	E442 Y443 Q449 H450	E442-L446 HydrophobicContact CG-CD1 4.16Å; E442-L446 HydrophobicContact CG-CG 4.47Å; E442-L446 WeakPolarHBondContact O-CB 3.43Å; E442-L446 VanDerWaalsContact O-CG 3.27Å; E442-L446 WeakPolarHBondContact O-CG 3.48Å; E442-L446 PolarHBondContact O-N 3.08Å; Y443-L446 PolarHBondContact O-N 3.44Å; L446-Q449 CarbonylContact O-C 3.42Å; L446-Q449 WeakPolarHBondContact O-CB 3.27Å; L446-Q449 PolarHBondContact O-N 2.74Å; L446-H450 PolarHBondContact O-N 2.86Å
447	K	71.1	Confident	67.5	Low	95 Å²	95	108.1 Å²	108.1	41%	0.413	55%	0.545	S	S	.	.	H	α-helix	trans	-61	-47.6	172.1	178	-177.5	167.9	-168.4	0	111.7	Y443 Q449 H450 E451	Y443-K447 HydrophobicContact CE1-CD 4.29Å; Y443-K447 WeakPolarHBondContact O-CB 3.4Å; Y443-K447 PolarHBondContact O-N 3.46Å; K447-Q449 VanDerWaalsContact C-N 3.31Å; K447-Q449 PolarHBondContact O-N 2.71Å; K447-H450 CarbonylContact O-C 3.6Å; K447-H450 WeakPolarHBondContact O-CA 3.46Å; K447-H450 VanDerWaalsContact O-CB 3.24Å; K447-H450 WeakPolarHBondContact O-CB 3.45Å; K447-H450 PolarHBondContact O-N 3.46Å; K447-E451 WeakPolarHBondContact CE-OE1 3.49Å; K447-E451 WeakPolarHBondContact O-CG 3.3Å; K447-E451 PolarHBondContact O-N 3.2Å
448	Q	73.8	Confident	64.9	Low	126 Å²	126	110.2 Å²	110.2	59%	0.589	57%	0.565	S	S	*	*	H	α-helix	trans	-60.1	-39.8	173.1	-74.7	172.3	25.2	0	0	111.7	D444 R445 H450 E451 H452	D444-Q448 WeakPolarHBondContact O-CB 3.31Å; D444-Q448 VanDerWaalsContact O-CG 3.25Å; D444-Q448 WeakPolarHBondContact O-CG 3.24Å; D444-Q448 PolarHBondContact O-N 3.06Å; R445-Q448 PolarHBondContact O-N 3.22Å; Q448-H450 PolarHBondContact O-N 2.72Å; Q448-E451 PolarHBondContact O-N 3.35Å; Q448-H452 VanDerWaalsContact O-CB 3.29Å; Q448-H452 WeakPolarHBondContact O-CB 3.5Å; Q448-H452 PolarHBondContact O-N 3.28Å
449	Q	68.3	Low	62.6	Low	93 Å²	93	110.8 Å²	110.8	44%	0.435	57%	0.574	S	S	.	*	H	α-helix	trans	-65.2	-23.2	172.5	-73.7	-173	1.5	0	0	113.7	R445 L446 K447 K453	R445-Q449 WeakPolarHBondContact O-CG 3.48Å; R445-Q449 PolarHBondContact O-N 2.71Å; L446-Q449 CarbonylContact O-C 3.42Å; L446-Q449 WeakPolarHBondContact O-CB 3.27Å; L446-Q449 PolarHBondContact O-N 2.74Å; K447-Q449 VanDerWaalsContact C-N 3.31Å; K447-Q449 PolarHBondContact O-N 2.71Å; Q449-K453 WeakPolarHBondContact O-CD 3.1Å; Q449-K453 VanDerWaalsContact O-CG 3.28Å; Q449-K453 WeakPolarHBondContact O-CG 3.47Å
450	H	59.8	Low	60.5	Low	114 Å²	114	110.8 Å²	110.8	53%	0.528	58%	0.584	S	S	.	*	H	α-helix	trans	-79.4	-44.1	174.3	-151.5	-92.7	0	0	0	111.4	L446 K447 Q448 K453	L446-H450 PolarHBondContact O-N 2.86Å; K447-H450 CarbonylContact O-C 3.6Å; K447-H450 WeakPolarHBondContact O-CA 3.46Å; K447-H450 VanDerWaalsContact O-CB 3.24Å; K447-H450 WeakPolarHBondContact O-CB 3.45Å; K447-H450 PolarHBondContact O-N 3.46Å; Q448-H450 PolarHBondContact O-N 2.72Å; H450-K453 PolarHBondContact O-N 2.97Å
451	E	52.6	Low	59	Low	100 Å²	100	111.9 Å²	111.9	47%	0.467	60%	0.599	S	S	.	*	H	α-helix	trans	-63.2	-43.2	174.3	-69.2	169.2	-177.6	0	0	111.2	K447 Q448 K453 G454	K447-E451 WeakPolarHBondContact CE-OE1 3.49Å; K447-E451 WeakPolarHBondContact O-CG 3.3Å; K447-E451 PolarHBondContact O-N 3.2Å; Q448-E451 PolarHBondContact O-N 3.35Å; E451-K453 PolarHBondContact O-N 2.87Å; E451-G454 PolarHBondContact O-N 3.47Å
452	H	54.1	Low	56.8	Low	184 Å²	184	115 Å²	115	85%	0.852	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	-14.5	179.3	-137.5	11.7	0	0	0	113.5	Q448 G454	Q448-H452 VanDerWaalsContact O-CB 3.29Å; Q448-H452 WeakPolarHBondContact O-CB 3.5Å; Q448-H452 PolarHBondContact O-N 3.28Å; H452-G454 VanDerWaalsContact C-N 3.26Å
453	K	56.2	Low	54.7	Low	165 Å²	165	118.8 Å²	118.8	72%	0.717	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	4	169.5	-76.7	172.1	-176.8	173.9	0	113.6	Q449 H450 E451	Q449-K453 WeakPolarHBondContact O-CD 3.1Å; Q449-K453 VanDerWaalsContact O-CG 3.28Å; Q449-K453 WeakPolarHBondContact O-CG 3.47Å; H450-K453 PolarHBondContact O-N 2.97Å; E451-K453 PolarHBondContact O-N 2.87Å
454	G	47.5	Very low	53	Low	61 Å²	61	118.6 Å²	118.6	63%	0.629	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	87.9	8.7	169.5	0	0	0	0	0	115.7	E451 H452 S456	E451-G454 PolarHBondContact O-N 3.47Å; H452-G454 VanDerWaalsContact C-N 3.26Å; G454-S456 PolarHBondContact O-N 3.34Å; G454-S456 VanDerWaalsContact O-N 3.09Å
455	L	49.8	Very low	50.9	Low	115 Å²	115	123.4 Å²	123.4	60%	0.602	66%	0.66	S	S	*	*			trans	-83	81.5	172.7	-67.4	176.8	0	0	0	110.1
456	S	40.7	Very low	49.1	Very low	104 Å²	104	122.8 Å²	122.8	73%	0.727	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-65	138.3	-179.4	-164.7	0	0	0	0	112.2	G454 L458	G454-S456 PolarHBondContact O-N 3.34Å; G454-S456 VanDerWaalsContact O-N 3.09Å; S456-L458 PolarHBondContact O-N 3.18Å
457	P	43.6	Very low	47.6	Very low	105 Å²	105	124.6 Å²	124.6	68%	0.682	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-69.7	123.7	176.9	28.7	-34.2	0	0	0	110.9	P459	P457-P459 WeakPolarHBondContact O-CD 3.46Å
458	L	34.7	Very low	46.3	Very low	172 Å²	172	124.9 Å²	124.9	90%	0.901	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-79.9	123.9	-174.4	-159.7	81.7	0	0	0	112.2	S456	S456-L458 PolarHBondContact O-N 3.18Å
459	P	36.8	Very low	44.9	Very low	106 Å²	106	122.6 Å²	122.6	69%	0.688	70%	0.699	S	S	*	*			trans	-76	176.2	167.1	-12.7	30.5	0	0	0	112.5	P457	P457-P459 WeakPolarHBondContact O-CD 3.46Å
460	S	33.2	Very low	44.2	Very low	116 Å²	116	127.7 Å²	127.7	81%	0.811	72%	0.722	S	S	*	*	S	Bend	trans	-59.4	156.2	172.9	-56.9	0	0	0	0	113.2
461	P	49.4	Very low	44	Very low	118 Å²	118	124.1 Å²	124.1	77%	0.766	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-90.3	149.8	-151.1	34.1	-37.3	0	0	0	115.9
462	P	38.3	Very low	44.2	Very low	126 Å²	126	124.9 Å²	124.9	82%	0.818	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-87.5	161.6	153.3	-2	22	0	0	0	112.1
463	E	34.8	Very low	44.1	Very low	168 Å²	168	124.7 Å²	124.7	79%	0.785	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-88.4	156.4	-177	-62.2	178.8	106.7	0	0	114.5
464	M	35.4	Very low	43.7	Very low	142 Å²	142	120.4 Å²	120.4	70%	0.7	70%	0.701	S	S	*	*			trans	47.8	103.9	149.9	-71.3	-171.6	-73.5	0	0	120.2
465	M	35.3	Very low	44.1	Very low	156 Å²	156	119.7 Å²	119.7	77%	0.768	69%	0.688	S	S	*	*				174.4	161.4	106.8	-91.3	-61.5	118.3	0	0	111.1
466	P	47.3	Very low	44.8	Very low	115 Å²	115	120.7 Å²	120.7	75%	0.747	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-89.7	118.5	-158.6	33	-35.8	0	0	0	115.1
467	T	37.7	Very low	45.8	Very low	136 Å²	136	120.1 Å²	120.1	83%	0.834	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-93.8	124	152.8	47.7	0	0	0	0	109.3
468	S	44.1	Very low	46.9	Very low	101 Å²	101	119.8 Å²	119.8	71%	0.706	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-62.3	137.8	176.9	-166.2	0	0	0	0	110.4	Q470	S468-Q470 PolarHBondContact O-N 2.93Å
469	P	43.4	Very low	48.3	Very low	78 Å²	78	114.4 Å²	114.4	51%	0.506	65%	0.65	S	S	.	*	P	Polyproline II helix	trans	-61.3	124.8	177.3	25.6	-33.7	0	0	0	109.9	S471 A475	P469-S471 VanDerWaalsContact C-N 3.31Å; P469-S471 PolarHBondContact O-N 3.12Å; P469-A475 HydrophobicContact CB-CB 4.41Å; P469-A475 HydrophobicContact CG-CB 4.41Å
470	Q	53.1	Low	49.8	Very low	199 Å²	199	114.4 Å²	114.4	93%	0.93	64%	0.641	S	S	*	*	S	Bend	trans	-81.5	-6.8	-175.6	-70.2	-160.1	-17.8	0	0	113.9	S468	S468-Q470 PolarHBondContact O-N 2.93Å
471	S	57.1	Low	51	Low	39 Å²	39	110.5 Å²	110.5	27%	0.273	62%	0.616	S	S	.	*	S	Bend	trans	-138.3	155.2	159.3	85.2	0	0	0	0	111.9	P469 R473 D474	P469-S471 VanDerWaalsContact C-N 3.31Å; P469-S471 PolarHBondContact O-N 3.12Å; S471-R473 PolarHBondContact O-N 3.32Å; S471-R473 PolarHBondContact OG-N 3.05Å; S471-D474 WeakPolarHBondContact CB-OD2 3.47Å; S471-D474 PolarHBondContact N-OD2 2.82Å; S471-D474 VanDerWaalsContact N-OD2 3.17Å; S471-D474 PolarHBondContact O-N 3.41Å; S471-D474 VanDerWaalsContact OG-CG 3.24Å; S471-D474 PolarHBondContact OG-N 2.73Å; S471-D474 PolarHBondContact OG-OD2 3.21Å
472	P	55.8	Low	51.8	Low	116 Å²	116	111.6 Å²	111.6	75%	0.753	61%	0.608	S	S	*	*	H	α-helix	trans	-58.5	-31.1	170.4	-23.6	34.4	0	0	0	112.8	D474 A475 E476	P472-D474 VanDerWaalsContact C-N 3.33Å; P472-D474 PolarHBondContact O-N 2.94Å; P472-A475 WeakPolarHBondContact O-CB 3.49Å; P472-A475 PolarHBondContact O-N 3.02Å; P472-E476 PolarHBondContact O-N 2.77Å; P472-E476 VanDerWaalsContact O-N 3.11Å
473	R	51.7	Low	53.3	Low	181 Å²	181	111.1 Å²	111.1	68%	0.683	60%	0.598	S	S	*	*	H	α-helix	trans	-68	-32.2	-175.6	-157.5	172.6	-168.8	160.2	3.8	112.5	S471 E476 L477	S471-R473 PolarHBondContact O-N 3.32Å; S471-R473 PolarHBondContact OG-N 3.05Å; R473-E476 PolarHBondContact O-N 3.18Å; R473-L477 WeakPolarHBondContact O-CB 3.44Å; R473-L477 VanDerWaalsContact O-CG 3.29Å; R473-L477 WeakPolarHBondContact O-CG 3.16Å; R473-L477 PolarHBondContact O-N 3.14Å
474	D	48.8	Very low	54.6	Low	75 Å²	75	108.3 Å²	108.3	40%	0.401	59%	0.588	S	S	.	*	H	α-helix	trans	-69.1	-37.4	175.5	-54.3	-57.5	0	0	0	111.4	S471 P472 I478	S471-D474 WeakPolarHBondContact CB-OD2 3.47Å; S471-D474 PolarHBondContact N-OD2 2.82Å; S471-D474 VanDerWaalsContact N-OD2 3.17Å; S471-D474 PolarHBondContact O-N 3.41Å; S471-D474 VanDerWaalsContact OG-CG 3.24Å; S471-D474 PolarHBondContact OG-N 2.73Å; S471-D474 PolarHBondContact OG-OD2 3.21Å; P472-D474 VanDerWaalsContact C-N 3.33Å; P472-D474 PolarHBondContact O-N 2.94Å; D474-I478 WeakPolarHBondContact O-CB 3.37Å; D474-I478 WeakPolarHBondContact O-CD1 3.16Å; D474-I478 WeakPolarHBondContact O-CG1 3.33Å; D474-I478 PolarHBondContact O-N 3.29Å
475	A	55.2	Low	56.2	Low	45 Å²	45	110.1 Å²	110.1	37%	0.372	59%	0.587	S	S	.	*	H	α-helix	trans	-68	-38	175.9	0	0	0	0	0	111.9	P469 P472 I478 A479	P469-A475 HydrophobicContact CB-CB 4.41Å; P469-A475 HydrophobicContact CG-CB 4.41Å; P472-A475 WeakPolarHBondContact O-CB 3.49Å; P472-A475 PolarHBondContact O-N 3.02Å; A475-I478 PolarHBondContact O-N 3.15Å; A475-A479 PolarHBondContact O-N 3.18Å
476	E	64.5	Low	58	Low	137 Å²	137	108.8 Å²	108.8	64%	0.64	58%	0.579	S	S	*	*	H	α-helix	trans	-64.9	-49.8	176.3	-166.2	163	-126.7	0	0	111.6	P472 R473 I478 A479 E480	P472-E476 PolarHBondContact O-N 2.77Å; P472-E476 VanDerWaalsContact O-N 3.11Å; R473-E476 PolarHBondContact O-N 3.18Å; E476-I478 VanDerWaalsContact C-N 3.3Å; E476-I478 PolarHBondContact O-N 2.96Å; E476-A479 WeakPolarHBondContact O-CB 3.33Å; E476-A479 PolarHBondContact O-N 3.01Å; E476-E480 PolarHBondContact O-N 2.78Å
477	L	61.3	Low	59.1	Low	92 Å²	92	108 Å²	108	48%	0.482	57%	0.565	S	S	.	*	H	α-helix	trans	-60.2	-36.1	174.1	-71.7	167.5	0	0	0	112.7	R473 A479 A481	R473-L477 WeakPolarHBondContact O-CB 3.44Å; R473-L477 VanDerWaalsContact O-CG 3.29Å; R473-L477 WeakPolarHBondContact O-CG 3.16Å; R473-L477 PolarHBondContact O-N 3.14Å; L477-A479 VanDerWaalsContact C-N 3.35Å; L477-A481 WeakPolarHBondContact O-CB 3.29Å; L477-A481 PolarHBondContact O-N 3.39Å
478	I	66.7	Low	60.9	Low	98 Å²	98	107.3 Å²	107.3	50%	0.503	55%	0.551	S	S	.	*	H	α-helix	trans	-69.7	-31.7	174.7	-72.2	166.8	0	0	0	111.8	D474 A475 E476 K482	D474-I478 WeakPolarHBondContact O-CB 3.37Å; D474-I478 WeakPolarHBondContact O-CD1 3.16Å; D474-I478 WeakPolarHBondContact O-CG1 3.33Å; D474-I478 PolarHBondContact O-N 3.29Å; A475-I478 PolarHBondContact O-N 3.15Å; E476-I478 VanDerWaalsContact C-N 3.3Å; E476-I478 PolarHBondContact O-N 2.96Å; I478-K482 VanDerWaalsContact O-CG 3.3Å; I478-K482 WeakPolarHBondContact O-CG 3.44Å; I478-K482 PolarHBondContact O-N 3.37Å
479	A	65.6	Low	62.4	Low	58 Å²	58	104.1 Å²	104.1	48%	0.479	53%	0.534	S	S	.	.	H	α-helix	trans	-72.1	-47.3	174.4	0	0	0	0	0	111.4	A475 E476 L477 A481 K482 L483	A475-A479 PolarHBondContact O-N 3.18Å; E476-A479 WeakPolarHBondContact O-CB 3.33Å; E476-A479 PolarHBondContact O-N 3.01Å; L477-A479 VanDerWaalsContact C-N 3.35Å; A479-A481 PolarHBondContact O-N 3.38Å; A479-K482 WeakPolarHBondContact O-CB 3.28Å; A479-K482 PolarHBondContact O-N 2.96Å; A479-K482 VanDerWaalsContact O-N 3.07Å; A479-L483 PolarHBondContact O-N 2.9Å
480	E	67.4	Low	63.9	Low	107 Å²	107	107 Å²	107	50%	0.5	53%	0.534	S	S	.	.	H	α-helix	trans	-57.2	-49.5	174.5	-174.4	-174.2	-171.6	0	0	111.3	E476 K482 L483 L484	E476-E480 PolarHBondContact O-N 2.78Å; E480-K482 PolarHBondContact O-N 2.91Å; E480-K482 VanDerWaalsContact O-N 3.12Å; E480-L483 WeakPolarHBondContact O-CB 3.18Å; E480-L483 PolarHBondContact O-N 3.14Å; E480-L484 HydrophobicContact CG-CD1 4.08Å; E480-L484 HydrophobicContact CG-CG 4.45Å; E480-L484 WeakPolarHBondContact O-CG 3.38Å; E480-L484 PolarHBondContact O-N 2.91Å
481	A	58.3	Low	64.7	Low	34 Å²	34	101.9 Å²	101.9	28%	0.281	51%	0.513	S	S	.	.	H	α-helix	trans	-67.2	-12	178.1	0	0	0	0	0	113.8	L477 A479 R485	L477-A481 WeakPolarHBondContact O-CB 3.29Å; L477-A481 PolarHBondContact O-N 3.39Å; A479-A481 PolarHBondContact O-N 3.38Å; A481-R485 PolarHBondContact O-NE 3.47Å; A481-R485 PolarHBondContact O-NH2 3.05Å
482	K	65.8	Low	65.7	Low	140 Å²	140	104.6 Å²	104.6	61%	0.609	52%	0.521	S	S	*	.	H	α-helix	trans	-85.7	-44.3	165.9	-76.6	170.2	-179.1	177.7	0	111	I478 A479 E480 L484 R485 Q486	I478-K482 VanDerWaalsContact O-CG 3.3Å; I478-K482 WeakPolarHBondContact O-CG 3.44Å; I478-K482 PolarHBondContact O-N 3.37Å; A479-K482 WeakPolarHBondContact O-CB 3.28Å; A479-K482 PolarHBondContact O-N 2.96Å; A479-K482 VanDerWaalsContact O-N 3.07Å; E480-K482 PolarHBondContact O-N 2.91Å; E480-K482 VanDerWaalsContact O-N 3.12Å; K482-L484 PolarHBondContact O-N 3.43Å; K482-R485 PolarHBondContact O-N 2.99Å; K482-Q486 PolarHBondContact O-N 3.26Å
483	L	69.8	Low	66.7	Low	116 Å²	116	101.8 Å²	101.8	61%	0.607	51%	0.508	S	S	*	.	H	α-helix	trans	-58.8	-45.7	178.6	-156.4	78.3	0	0	0	111.5	A479 E480 R485 Q486 H487	A479-L483 PolarHBondContact O-N 2.9Å; E480-L483 WeakPolarHBondContact O-CB 3.18Å; E480-L483 PolarHBondContact O-N 3.14Å; L483-R485 PolarHBondContact O-N 3.27Å; L483-Q486 PolarHBondContact O-N 3.36Å; L483-H487 WeakPolarHBondContact O-CB 3.45Å; L483-H487 PolarHBondContact O-N 3.09Å
484	L	62.8	Low	68.1	Low	110 Å²	110	100 Å²	100	58%	0.576	50%	0.501	S	S	*	.	H	α-helix	trans	-61	-40	176.1	-70.4	171.3	0	0	0	112.5	E480 K482 H487 K488	E480-L484 HydrophobicContact CG-CD1 4.08Å; E480-L484 HydrophobicContact CG-CG 4.45Å; E480-L484 WeakPolarHBondContact O-CG 3.38Å; E480-L484 PolarHBondContact O-N 2.91Å; K482-L484 PolarHBondContact O-N 3.43Å; L484-H487 PolarHBondContact O-N 3.48Å; L484-K488 WeakPolarHBondContact O-CB 3.28Å; L484-K488 PolarHBondContact O-N 3.38Å
485	R	67.7	Low	69.4	Low	179 Å²	179	101.5 Å²	101.5	68%	0.675	51%	0.507	S	S	*	.	H	α-helix	trans	-67.5	-38.6	175.4	-88.5	177.9	-82.7	-145.5	-7.5	112.2	A481 K482 L483 G489	A481-R485 PolarHBondContact O-NE 3.47Å; A481-R485 PolarHBondContact O-NH2 3.05Å; K482-R485 PolarHBondContact O-N 2.99Å; L483-R485 PolarHBondContact O-N 3.27Å; R485-G489 PolarHBondContact O-N 2.95Å; R485-G489 VanDerWaalsContact O-N 3.1Å
486	Q	73.6	Confident	70.5	Confident	128 Å²	128	103.5 Å²	103.5	60%	0.598	51%	0.509	S	S	*	.	H	α-helix	trans	-66.8	-39.4	173.3	-167.4	-177	20.6	0	0	111.9	K482 L483 G489 R490	K482-Q486 PolarHBondContact O-N 3.26Å; L483-Q486 PolarHBondContact O-N 3.36Å; Q486-G489 PolarHBondContact O-N 3Å; Q486-R490 WeakPolarHBondContact O-CG 3.35Å; Q486-R490 PolarHBondContact O-N 2.89Å; Q486-R490 VanDerWaalsContact O-N 3.12Å
487	H	69.9	Low	71.5	Confident	100 Å²	100	102.7 Å²	102.7	46%	0.463	51%	0.507	S	S	.	.	H	α-helix	trans	-68.2	-41	177.9	-159.1	-105	0	0	0	111.8	L483 L484 R490 L491	L483-H487 WeakPolarHBondContact O-CB 3.45Å; L483-H487 PolarHBondContact O-N 3.09Å; L484-H487 PolarHBondContact O-N 3.48Å; H487-R490 PolarHBondContact O-N 3.28Å; H487-L491 PolarHBondContact O-N 3.01Å
488	K	76.8	Confident	72.4	Confident	121 Å²	121	104.1 Å²	104.1	53%	0.526	52%	0.515	S	S	.	.	H	α-helix	trans	-56.1	-52.8	171.6	175.4	173.1	170.4	173.7	0	111.6	L484 R490 L491 E492	L484-K488 WeakPolarHBondContact O-CB 3.28Å; L484-K488 PolarHBondContact O-N 3.38Å; K488-R490 VanDerWaalsContact C-N 3.26Å; K488-R490 PolarHBondContact O-N 2.92Å; K488-L491 WeakPolarHBondContact O-CA 3.24Å; K488-L491 WeakPolarHBondContact O-CB 3.3Å; K488-L491 PolarHBondContact O-N 3.5Å; K488-E492 WeakPolarHBondContact CE-OE1 3.48Å; K488-E492 WeakPolarHBondContact CE-OE2 3.41Å; K488-E492 HydrophobicContact CG-CG 4.34Å; K488-E492 WeakPolarHBondContact CG-OE2 3.34Å; K488-E492 IonicContact NZ-OE1 3.33Å; K488-E492 PolarHBondContact NZ-OE1 3.39Å; K488-E492 PolarHBondContact O-N 3.43Å
489	G	74.3	Confident	73.3	Confident	34 Å²	34	103.2 Å²	103.2	35%	0.351	51%	0.508	S	S	.	.	H	α-helix	trans	-60.8	-32.8	178.9	0	0	0	0	0	113.7	R485 Q486 A493	R485-G489 PolarHBondContact O-N 2.95Å; R485-G489 VanDerWaalsContact O-N 3.1Å; Q486-G489 PolarHBondContact O-N 3Å; G489-A493 WeakPolarHBondContact O-CB 3.44Å; G489-A493 PolarHBondContact O-N 2.86Å
490	R	74.8	Confident	74.2	Confident	138 Å²	138	103.7 Å²	103.7	52%	0.521	50%	0.503	S	S	.	.	H	α-helix	trans	-71.2	-29.8	172.8	-72.1	177	70.1	-172.5	2.6	113.3	Q486 H487 K488 R494	Q486-R490 WeakPolarHBondContact O-CG 3.35Å; Q486-R490 PolarHBondContact O-N 2.89Å; Q486-R490 VanDerWaalsContact O-N 3.12Å; H487-R490 PolarHBondContact O-N 3.28Å; K488-R490 VanDerWaalsContact C-N 3.26Å; K488-R490 PolarHBondContact O-N 2.92Å; R490-R494 WeakPolarHBondContact O-CD 3.46Å; R490-R494 VanDerWaalsContact O-CG 3.29Å; R490-R494 WeakPolarHBondContact O-CG 3.34Å; R490-R494 PolarHBondContact O-N 3.13Å
491	L	71.8	Confident	75.1	Confident	92 Å²	92	103.5 Å²	103.5	48%	0.482	50%	0.502	S	S	.	.	H	α-helix	trans	-74.8	-44.9	173.3	-79.9	162.8	0	0	0	111.2	H487 K488 A493 R494 M495	H487-L491 PolarHBondContact O-N 3.01Å; K488-L491 WeakPolarHBondContact O-CA 3.24Å; K488-L491 WeakPolarHBondContact O-CB 3.3Å; K488-L491 PolarHBondContact O-N 3.5Å; L491-A493 PolarHBondContact O-N 3.44Å; L491-R494 PolarHBondContact O-N 3.17Å; L491-R494 VanDerWaalsContact O-N 3.12Å; L491-M495 WeakPolarHBondContact O-CB 3.35Å; L491-M495 PolarHBondContact O-N 2.84Å
492	E	77.6	Confident	76.3	Confident	96 Å²	96	106.1 Å²	106.1	45%	0.449	51%	0.511	S	S	.	.	H	α-helix	trans	-59.6	-44.6	176.2	-70.1	171.3	139.2	0	0	111.3	K488 R494 M495 Q496	K488-E492 WeakPolarHBondContact CE-OE1 3.48Å; K488-E492 WeakPolarHBondContact CE-OE2 3.41Å; K488-E492 HydrophobicContact CG-CG 4.34Å; K488-E492 WeakPolarHBondContact CG-OE2 3.34Å; K488-E492 IonicContact NZ-OE1 3.33Å; K488-E492 PolarHBondContact NZ-OE1 3.39Å; K488-E492 PolarHBondContact O-N 3.43Å; E492-R494 VanDerWaalsContact C-N 3.33Å; E492-R494 PolarHBondContact O-N 3.17Å; E492-M495 WeakPolarHBondContact O-CB 3.36Å; E492-M495 PolarHBondContact O-N 3.42Å; E492-Q496 PolarHBondContact O-N 3.29Å
493	A	76.4	Confident	77.3	Confident	56 Å²	56	104 Å²	104	46%	0.463	50%	0.502	S	S	.	.	H	α-helix	trans	-62.3	-36.1	174	0	0	0	0	0	113.5	G489 L491 I497	G489-A493 WeakPolarHBondContact O-CB 3.44Å; G489-A493 PolarHBondContact O-N 2.86Å; L491-A493 PolarHBondContact O-N 3.44Å; A493-I497 WeakPolarHBondContact O-CD1 3.37Å; A493-I497 VanDerWaalsContact O-CG1 3.31Å; A493-I497 WeakPolarHBondContact O-CG1 3.47Å; A493-I497 PolarHBondContact O-N 3.39Å
494	R	80.8	Confident	78.1	Confident	143 Å²	143	104.3 Å²	104.3	54%	0.54	50%	0.5	S	S	.	.	H	α-helix	trans	-71.7	-36.4	174.9	-79.3	172	167.3	179.8	-6.5	112.4	R490 L491 E492 I497 L498	R490-R494 WeakPolarHBondContact O-CD 3.46Å; R490-R494 VanDerWaalsContact O-CG 3.29Å; R490-R494 WeakPolarHBondContact O-CG 3.34Å; R490-R494 PolarHBondContact O-N 3.13Å; L491-R494 PolarHBondContact O-N 3.17Å; L491-R494 VanDerWaalsContact O-N 3.12Å; E492-R494 VanDerWaalsContact C-N 3.33Å; E492-R494 PolarHBondContact O-N 3.17Å; R494-I497 PolarHBondContact O-N 3.09Å; R494-L498 WeakPolarHBondContact O-CG 3.41Å; R494-L498 PolarHBondContact O-N 3.04Å; R494-L498 VanDerWaalsContact O-N 3.07Å
495	M	75.5	Confident	79.2	Confident	108 Å²	108	102.5 Å²	102.5	53%	0.532	49%	0.491	S	S	.	.	H	α-helix	trans	-62.4	-46.6	175.2	-165.7	-176.5	80.9	0	0	110.4	L491 E492 I497 L498 E499	L491-M495 WeakPolarHBondContact O-CB 3.35Å; L491-M495 PolarHBondContact O-N 2.84Å; E492-M495 WeakPolarHBondContact O-CB 3.36Å; E492-M495 PolarHBondContact O-N 3.42Å; M495-I497 PolarHBondContact O-N 3.08Å; M495-L498 PolarHBondContact O-N 3Å; M495-L498 VanDerWaalsContact O-N 3.13Å; M495-E499 PolarHBondContact O-N 2.87Å
496	Q	79.8	Confident	80	Confident	87 Å²	87	99.4 Å²	99.4	41%	0.407	48%	0.484	S	S	.	.	H	α-helix	trans	-57.6	-46.3	176.4	-169.7	61.6	64.2	0	0	112.3	E492 L498 E499 D500	E492-Q496 PolarHBondContact O-N 3.29Å; Q496-L498 VanDerWaalsContact C-N 3.31Å; Q496-L498 PolarHBondContact O-N 2.79Å; Q496-E499 PolarHBondContact O-N 3.18Å; Q496-D500 PolarHBondContact NE2-OD1 2.88Å; Q496-D500 PolarHBondContact NE2-OD2 2.87Å; Q496-D500 VanDerWaalsContact O-CG 3.32Å; Q496-D500 PolarHBondContact O-N 2.95Å
497	I	85.8	Confident	80.5	Confident	119 Å²	119	96.3 Å²	96.3	61%	0.61	48%	0.476	S	S	*	.	H	α-helix	trans	-61.4	-39.2	177.1	-68	164.3	0	0	0	111.4	A493 R494 M495 H501	A493-I497 WeakPolarHBondContact O-CD1 3.37Å; A493-I497 VanDerWaalsContact O-CG1 3.31Å; A493-I497 WeakPolarHBondContact O-CG1 3.47Å; A493-I497 PolarHBondContact O-N 3.39Å; R494-I497 PolarHBondContact O-N 3.09Å; M495-I497 PolarHBondContact O-N 3.08Å; I497-H501 WeakPolarHBondContact O-CB 3.48Å; I497-H501 PolarHBondContact O-N 3.1Å
498	L	79.9	Confident	81.1	Confident	122 Å²	122	97 Å²	97	64%	0.639	48%	0.48	S	S	*	.	H	α-helix	trans	-69.9	-39.8	177.3	-73.7	166.9	0	0	0	112.4	R494 M495 Q496 N502	R494-L498 WeakPolarHBondContact O-CG 3.41Å; R494-L498 PolarHBondContact O-N 3.04Å; R494-L498 VanDerWaalsContact O-N 3.07Å; M495-L498 PolarHBondContact O-N 3Å; M495-L498 VanDerWaalsContact O-N 3.13Å; Q496-L498 VanDerWaalsContact C-N 3.31Å; Q496-L498 PolarHBondContact O-N 2.79Å; L498-N502 WeakPolarHBondContact O-CB 3.26Å; L498-N502 PolarHBondContact O-N 3.28Å
499	E	84.2	Confident	81.4	Confident	79 Å²	79	95.6 Å²	95.6	37%	0.369	48%	0.478	S	S	.	.	H	α-helix	trans	-61.5	-44.9	173	-75.2	-175.1	-161.2	0	0	112.1	M495 Q496 N502 K503	M495-E499 PolarHBondContact O-N 2.87Å; Q496-E499 PolarHBondContact O-N 3.18Å; E499-N502 WeakPolarHBondContact O-CB 3.33Å; E499-N502 PolarHBondContact O-N 2.92Å; E499-K503 VanDerWaalsContact O-CG 3.31Å; E499-K503 WeakPolarHBondContact O-CG 3.41Å; E499-K503 PolarHBondContact O-N 3.37Å; E499-K503 IonicContact OE2-NZ 3.27Å; E499-K503 PolarHBondContact OE2-NZ 3Å
500	D	85.6	Confident	81.9	Confident	69 Å²	69	99.1 Å²	99.1	37%	0.369	49%	0.485	S	S	.	.	H	α-helix	trans	-72.6	-32.3	-176.9	-64.4	-28.9	0	0	0	111.7	Q496 K503 Q504	Q496-D500 PolarHBondContact NE2-OD1 2.88Å; Q496-D500 PolarHBondContact NE2-OD2 2.87Å; Q496-D500 VanDerWaalsContact O-CG 3.32Å; Q496-D500 PolarHBondContact O-N 2.95Å; D500-K503 IonicContact OD1-NZ 2.71Å; D500-K503 PolarHBondContact OD1-NZ 2.99Å; D500-Q504 WeakPolarHBondContact O-CG 3.16Å; D500-Q504 PolarHBondContact O-N 3.38Å; D500-Q504 VanDerWaalsContact O-N 3.08Å
501	H	85.1	Confident	82.3	Confident	103 Å²	103	100.8 Å²	100.8	48%	0.477	49%	0.491	S	S	.	.	H	α-helix	trans	-66.7	-37.1	167.3	-170.1	-104.8	0	0	0	112.2	I497 Q504 L505	I497-H501 WeakPolarHBondContact O-CB 3.48Å; I497-H501 PolarHBondContact O-N 3.1Å; H501-Q504 WeakPolarHBondContact O-CB 3.29Å; H501-Q504 PolarHBondContact O-N 3.46Å; H501-L505 WeakPolarHBondContact O-CG 3.29Å; H501-L505 PolarHBondContact O-N 3.02Å
502	N	83.5	Confident	82.6	Confident	88 Å²	88	101.1 Å²	101.1	47%	0.471	49%	0.493	S	S	.	.	H	α-helix	trans	-65.6	-44.1	175.1	-162.6	30.5	0	0	0	111.5	L498 E499 Q504 L505 E506	L498-N502 WeakPolarHBondContact O-CB 3.26Å; L498-N502 PolarHBondContact O-N 3.28Å; E499-N502 WeakPolarHBondContact O-CB 3.33Å; E499-N502 PolarHBondContact O-N 2.92Å; N502-Q504 PolarHBondContact O-N 3.04Å; N502-L505 PolarHBondContact O-N 3.18Å; N502-E506 WeakPolarHBondContact O-CG 3Å; N502-E506 PolarHBondContact O-N 3.21Å
503	K	88	Confident	82.7	Confident	96 Å²	96	103.7 Å²	103.7	42%	0.417	50%	0.498	S	S	.	.	H	α-helix	trans	-58	-35.4	172.8	-66.7	161.8	-154.8	157.1	0	112	E499 D500 S507	E499-K503 VanDerWaalsContact O-CG 3.31Å; E499-K503 WeakPolarHBondContact O-CG 3.41Å; E499-K503 PolarHBondContact O-N 3.37Å; E499-K503 IonicContact OE2-NZ 3.27Å; E499-K503 PolarHBondContact OE2-NZ 3Å; D500-K503 IonicContact OD1-NZ 2.71Å; D500-K503 PolarHBondContact OD1-NZ 2.99Å; K503-S507 WeakPolarHBondContact O-CB 3.43Å; K503-S507 PolarHBondContact O-N 2.99Å
504	Q	86.3	Confident	82.7	Confident	122 Å²	122	106.3 Å²	106.3	57%	0.57	50%	0.501	S	S	*	.	H	α-helix	trans	-67.2	-43.9	172.7	-75.9	-178.1	-13.4	0	0	112.5	D500 H501 N502 S507 Q508	D500-Q504 WeakPolarHBondContact O-CG 3.16Å; D500-Q504 PolarHBondContact O-N 3.38Å; D500-Q504 VanDerWaalsContact O-N 3.08Å; H501-Q504 WeakPolarHBondContact O-CB 3.29Å; H501-Q504 PolarHBondContact O-N 3.46Å; N502-Q504 PolarHBondContact O-N 3.04Å; Q504-S507 WeakPolarHBondContact O-CB 3.44Å; Q504-S507 PolarHBondContact O-N 3.26Å; Q504-Q508 WeakPolarHBondContact O-CG 3.43Å; Q504-Q508 PolarHBondContact O-N 3.1Å
505	L	85.8	Confident	82.3	Confident	72 Å²	72	105.5 Å²	105.5	38%	0.377	51%	0.507	S	S	.	.	H	α-helix	trans	-64.1	-41.2	176.2	-70.2	169.7	0	0	0	112.2	H501 N502 S507 Q508 L509	H501-L505 WeakPolarHBondContact O-CG 3.29Å; H501-L505 PolarHBondContact O-N 3.02Å; N502-L505 PolarHBondContact O-N 3.18Å; L505-S507 VanDerWaalsContact C-N 3.34Å; L505-S507 PolarHBondContact O-N 3.11Å; L505-Q508 PolarHBondContact O-N 3.29Å; L505-L509 WeakPolarHBondContact O-CB 3.44Å; L505-L509 PolarHBondContact O-N 2.97Å
506	E	85.1	Confident	81.7	Confident	114 Å²	114	107.3 Å²	107.3	53%	0.533	52%	0.518	S	S	.	.	H	α-helix	trans	-60.6	-42.2	172.6	-71.4	177.2	160.9	0	0	111.6	N502 L509 H510	N502-E506 WeakPolarHBondContact O-CG 3Å; N502-E506 PolarHBondContact O-N 3.21Å; E506-L509 PolarHBondContact O-N 2.72Å; E506-H510 WeakPolarHBondContact O-CB 3.48Å; E506-H510 PolarHBondContact O-N 2.97Å
507	S	84.3	Confident	81.1	Confident	63 Å²	63	110.2 Å²	110.2	44%	0.441	53%	0.531	S	S	.	.	H	α-helix	trans	-64.4	-40.2	175.5	-166.6	0	0	0	0	112.4	K503 Q504 L505 H510 R511	K503-S507 WeakPolarHBondContact O-CB 3.43Å; K503-S507 PolarHBondContact O-N 2.99Å; Q504-S507 WeakPolarHBondContact O-CB 3.44Å; Q504-S507 PolarHBondContact O-N 3.26Å; L505-S507 VanDerWaalsContact C-N 3.34Å; L505-S507 PolarHBondContact O-N 3.11Å; S507-H510 PolarHBondContact O-N 3.11Å; S507-R511 WeakPolarHBondContact O-CG 3.37Å; S507-R511 PolarHBondContact O-N 3.45Å
508	Q	81.7	Confident	79.6	Confident	116 Å²	116	111.5 Å²	111.5	54%	0.542	54%	0.535	S	S	.	.	H	α-helix	trans	-65.2	-44.8	173.9	-72.9	179.5	-1.1	0	0	111.8	Q504 L505 H510 R511 L512	Q504-Q508 WeakPolarHBondContact O-CG 3.43Å; Q504-Q508 PolarHBondContact O-N 3.1Å; L505-Q508 PolarHBondContact O-N 3.29Å; Q508-H510 VanDerWaalsContact C-N 3.31Å; Q508-H510 PolarHBondContact O-N 3.48Å; Q508-R511 PolarHBondContact O-N 3.43Å; Q508-L512 WeakPolarHBondContact O-CG 3.27Å; Q508-L512 PolarHBondContact O-N 2.91Å
509	L	83.9	Confident	78.2	Confident	90 Å²	90	111 Å²	111	47%	0.471	54%	0.539	S	S	.	.	H	α-helix	trans	-60.6	-38.7	174	-86.5	165.9	0	0	0	112.3	L505 E506 L512 R513	L505-L509 WeakPolarHBondContact O-CB 3.44Å; L505-L509 PolarHBondContact O-N 2.97Å; E506-L509 PolarHBondContact O-N 2.72Å; L509-L512 PolarHBondContact O-N 3.16Å; L509-R513 WeakPolarHBondContact O-CG 3.47Å; L509-R513 PolarHBondContact O-N 3.11Å
510	H	83.4	Confident	76.7	Confident	109 Å²	109	117.1 Å²	117.1	51%	0.505	57%	0.567	S	S	.	*	H	α-helix	trans	-65.7	-42.6	176.1	-167.8	84.3	0	0	0	111.8	E506 S507 Q508 R513 Q514	E506-H510 WeakPolarHBondContact O-CB 3.48Å; E506-H510 PolarHBondContact O-N 2.97Å; S507-H510 PolarHBondContact O-N 3.11Å; Q508-H510 VanDerWaalsContact C-N 3.31Å; Q508-H510 PolarHBondContact O-N 3.48Å; H510-R513 PolarHBondContact O-N 3.46Å; H510-Q514 PolarHBondContact CD2-NE2 3.19Å; H510-Q514 VanDerWaalsContact CD2-NE2 3.33Å; H510-Q514 PolarHBondContact NE2-NE2 2.81Å; H510-Q514 WeakPolarHBondContact O-CG 3.38Å; H510-Q514 PolarHBondContact O-N 3.4Å
511	R	83.9	Confident	74.5	Confident	172 Å²	172	117.4 Å²	117.4	65%	0.649	58%	0.58	S	S	*	*	H	α-helix	trans	-63.4	-42.1	173.2	-71.2	-178.4	-175.6	-168.2	2.1	112.4	S507 Q508 R513 Q514 L515	S507-R511 WeakPolarHBondContact O-CG 3.37Å; S507-R511 PolarHBondContact O-N 3.45Å; Q508-R511 PolarHBondContact O-N 3.43Å; R511-R513 VanDerWaalsContact C-N 3.32Å; R511-R513 PolarHBondContact O-N 2.87Å; R511-Q514 PolarHBondContact O-N 3.23Å; R511-L515 WeakPolarHBondContact O-CG 3.43Å; R511-L515 PolarHBondContact O-N 3.42Å
512	L	77.6	Confident	72.2	Confident	99 Å²	99	121.4 Å²	121.4	52%	0.518	60%	0.598	S	S	.	*	H	α-helix	trans	-62.3	-38.9	176.1	-76.1	166	0	0	0	111.8	Q508 L509 L515 L516	Q508-L512 WeakPolarHBondContact O-CG 3.27Å; Q508-L512 PolarHBondContact O-N 2.91Å; L509-L512 PolarHBondContact O-N 3.16Å; L512-L515 PolarHBondContact O-N 2.7Å; L512-L516 WeakPolarHBondContact O-CD1 3.24Å; L512-L516 VanDerWaalsContact O-CG 3.3Å; L512-L516 WeakPolarHBondContact O-CG 3.46Å; L512-L516 PolarHBondContact O-N 3.24Å
513	R	80.1	Confident	70	Confident	150 Å²	150	121.7 Å²	121.7	57%	0.566	61%	0.613	S	S	*	*	H	α-helix	trans	-64.1	-46.6	172.8	-73.4	174.3	-176	164.6	3.2	112	L509 H510 R511 L515 L516 E517	L509-R513 WeakPolarHBondContact O-CG 3.47Å; L509-R513 PolarHBondContact O-N 3.11Å; H510-R513 PolarHBondContact O-N 3.46Å; R511-R513 VanDerWaalsContact C-N 3.32Å; R511-R513 PolarHBondContact O-N 2.87Å; R513-L515 PolarHBondContact O-N 2.85Å; R513-L516 CarbonylContact O-C 3.59Å; R513-L516 PolarHBondContact O-N 2.67Å; R513-E517 WeakPolarHBondContact O-CB 3.2Å; R513-E517 WeakPolarHBondContact O-CG 3.13Å; R513-E517 PolarHBondContact O-N 2.84Å
514	Q	75.6	Confident	67.4	Low	112 Å²	112	126.4 Å²	126.4	52%	0.523	63%	0.633	S	S	.	*	H	α-helix	trans	-59.6	-33.1	175	-71.1	-176.6	-1	0	0	113.5	H510 R511 Q518	H510-Q514 PolarHBondContact CD2-NE2 3.19Å; H510-Q514 VanDerWaalsContact CD2-NE2 3.33Å; H510-Q514 PolarHBondContact NE2-NE2 2.81Å; H510-Q514 WeakPolarHBondContact O-CG 3.38Å; H510-Q514 PolarHBondContact O-N 3.4Å; R511-Q514 PolarHBondContact O-N 3.23Å; Q514-Q518 PolarHBondContact O-N 3.28Å
515	L	72.8	Confident	65	Low	125 Å²	125	125.8 Å²	125.8	65%	0.654	64%	0.638	S	S	*	*	H	α-helix	trans	-74.2	-26.4	174.7	-71	168	0	0	0	113.3	R511 L512 R513	R511-L515 WeakPolarHBondContact O-CG 3.43Å; R511-L515 PolarHBondContact O-N 3.42Å; L512-L515 PolarHBondContact O-N 2.7Å; R513-L515 PolarHBondContact O-N 2.85Å
516	L	63.7	Low	62.4	Low	147 Å²	147	130 Å²	130	77%	0.77	66%	0.661	S	S	*	*	H	α-helix	trans	-87.4	-27.8	176.3	-72	165.9	0	0	0	113.1	L512 R513 Q518	L512-L516 WeakPolarHBondContact O-CD1 3.24Å; L512-L516 VanDerWaalsContact O-CG 3.3Å; L512-L516 WeakPolarHBondContact O-CG 3.46Å; L512-L516 PolarHBondContact O-N 3.24Å; R513-L516 CarbonylContact O-C 3.59Å; R513-L516 PolarHBondContact O-N 2.67Å; L516-Q518 VanDerWaalsContact C-N 3.33Å
517	E	66.7	Low	59.7	Low	147 Å²	147	127.6 Å²	127.6	69%	0.687	67%	0.666	S	S	*	*	S	Bend	trans	-84.9	-4.3	178.1	-70.8	176.9	156.8	0	0	113.2	R513 P519	R513-E517 WeakPolarHBondContact O-CB 3.2Å; R513-E517 WeakPolarHBondContact O-CG 3.13Å; R513-E517 PolarHBondContact O-N 2.84Å; E517-P519 WeakPolarHBondContact O-CD 3.46Å
518	Q	55	Low	57.1	Low	147 Å²	147	130.8 Å²	130.8	69%	0.687	68%	0.684	S	S	*	*	S	Bend	trans	-66.9	114.7	174.7	-175.9	163.2	100.2	0	0	110.5	Q514 L516 Q520	Q514-Q518 PolarHBondContact O-N 3.28Å; L516-Q518 VanDerWaalsContact C-N 3.33Å; Q518-Q520 PolarHBondContact O-N 3.37Å
519	P	49.2	Very low	54.7	Low	110 Å²	110	130.9 Å²	130.9	71%	0.714	69%	0.692	S	S	*	*			trans	-68.6	135.1	-173.5	-20.6	33.7	0	0	0	112.3	E517 A521	E517-P519 WeakPolarHBondContact O-CD 3.46Å; P519-A521 PolarHBondContact O-N 3.48Å
520	Q	52.7	Low	52.3	Low	208 Å²	208	133 Å²	133	97%	0.972	71%	0.708	S	S	*	*			trans	-71.3	76	163.4	-74.5	-169.6	-21.5	0	0	110.2	Q518	Q518-Q520 PolarHBondContact O-N 3.37Å
521	A	40.4	Very low	49.8	Very low	76 Å²	76	133 Å²	133	63%	0.628	72%	0.72	S	S	*	*			trans	-85	134.7	171.7	0	0	0	0	0	110.5	P519	P519-A521 PolarHBondContact O-N 3.48Å
522	E	36.9	Very low	47.2	Very low	186 Å²	186	130.2 Å²	130.2	87%	0.869	73%	0.728	S	S	*	*			trans	66.2	100.3	170.5	-53.3	-176.2	-168.8	0	0	114.4
523	A	35.9	Very low	45.9	Very low	94 Å²	94	131 Å²	131	78%	0.777	74%	0.739	S	S	*	*				64.2	139.7	75.8	0	0	0	0	0	112.7
524	K	34.7	Very low	43.4	Very low	195 Å²	195	128.3 Å²	128.3	85%	0.848	74%	0.743	S	S	*	*			cis	-168.6	177.5	28.2	-158.1	172.7	-173.4	172.6	0	111.2
525	V	34.8	Very low	41.2	Very low	109 Å²	109	129 Å²	129	66%	0.661	76%	0.755	S	S	*	*			trans	96.3	109.4	157.9	-169.6	0	0	0	0	117.8
526	N	31	Very low	39.1	Very low	161 Å²	161	128.6 Å²	128.6	86%	0.861	76%	0.762	S	S	*	*			trans	47.9	142.8	148.6	-49.4	-6.8	0	0	0	120.9
527	G	28.6	Very low	37.5	Very low	63 Å²	63	129 Å²	129	65%	0.649	76%	0.764	S	S	*	*			cis	152.3	147.2	-7.3	0	0	0	0	0	113.9
528	T	30.8	Very low	35.7	Very low	131 Å²	131	130.3 Å²	130.3	80%	0.804	77%	0.771	S	S	*	*			trans	81.1	117.3	151.9	-41.5	0	0	0	0	119.6
529	T	31	Very low	34.4	Very low	118 Å²	118	134.2 Å²	134.2	72%	0.724	78%	0.779	S	S	*	*			trans	67	117.7	150.2	54.6	0	0	0	0	124.5
530	V	34	Very low	33.5	Very low	133 Å²	133	133 Å²	133	81%	0.806	77%	0.774	S	S	*	*				46.7	130.9	124.2	-158.2	0	0	0	0	120.9
531	S	29.5	Very low	32.3	Very low	109 Å²	109	130.2 Å²	130.2	76%	0.762	77%	0.765	S	S	*	*			trans	125.8	114.5	141.2	-50.5	0	0	0	0	115.9
532	S	29.8	Very low	31.7	Very low	114 Å²	114	131.2 Å²	131.2	80%	0.797	77%	0.768	S	S	*	*			trans	-90.2	176.8	143	-47.5	0	0	0	0	108.1
533	P	50.5	Low	31.2	Very low	116 Å²	116	128 Å²	128	75%	0.753	77%	0.766	S	S	*	*			cis	-139.2	-160.9	4.8	30.8	-4.8	0	0	0	114.4
534	S	28.1	Very low	30.9	Very low	93 Å²	93	132.4 Å²	132.4	65%	0.65	77%	0.77	S	S	*	*			trans	113.4	97.4	139.3	-60.2	0	0	0	0	121.2
535	T	29.5	Very low	31.3	Very low	127 Å²	127	128.2 Å²	128.2	78%	0.779	76%	0.763	S	S	*	*				51.4	111.7	126	60.9	0	0	0	0	122.7
536	S	29.3	Very low	31	Very low	116 Å²	116	131.1 Å²	131.1	81%	0.811	77%	0.771	S	S	*	*				-173.1	131.9	118.1	32.2	0	0	0	0	108.5
537	L	28.3	Very low	30.8	Very low	155 Å²	155	130.5 Å²	130.5	81%	0.812	77%	0.767	S	S	*	*			cis	86.9	123.2	45.8	-95.6	170.7	0	0	0	115
538	Q	28.7	Very low	30.7	Very low	175 Å²	175	135.1 Å²	135.1	82%	0.818	78%	0.776	S	S	*	*			trans	70.6	153.4	171.3	-58.1	-175.7	18.5	0	0	116.8
539	R	28.6	Very low	30.6	Very low	229 Å²	229	139.5 Å²	139.5	86%	0.864	78%	0.778	S	S	*	*			cis	-162.6	173.6	-38.2	-145.1	-178.2	-178.9	172.5	-0.8	108
540	S	30.8	Very low	30.4	Very low	86 Å²	86	139.5 Å²	139.5	60%	0.601	78%	0.778	S	S	*	*			trans	-33.5	157.1	164.5	52.1	0	0	0	0	116.4
541	D	26.3	Very low	30.1	Very low	149 Å²	149	139.9 Å²	139.9	80%	0.797	78%	0.78	S	S	*	*			cis	-160.7	-173.9	30.4	-140.2	-44.8	0	0	0	114.9
542	S	29.3	Very low	30	Very low	97 Å²	97	137.5 Å²	137.5	68%	0.678	77%	0.772	S	S	*	*			trans	-42.5	155.9	-178.3	64	0	0	0	0	120.9
543	S	26.5	Very low	29.9	Very low	119 Å²	119	136.8 Å²	136.8	83%	0.832	77%	0.767	S	S	*	*			trans	-173	125.7	132.5	-80.4	0	0	0	0	113.9
544	Q	29.8	Very low	28.7	Very low	186 Å²	186	139.7 Å²	139.7	87%	0.869	77%	0.771	S	S	*	*			trans	-85.8	175.3	151.6	-86.2	-171.1	0	0	0	108.8
545	P	42	Very low	28.5	Very low	107 Å²	107	140.9 Å²	140.9	70%	0.695	77%	0.774	S	S	*	*			cis	-145.2	171.5	20	43	-24.1	0	0	0	118.1
546	M	28	Very low	28.3	Very low	170 Å²	170	139.1 Å²	139.1	84%	0.837	77%	0.767	S	S	*	*				175.9	136.3	114.3	-96.9	-134.3	170.5	0	0	117
547	L	28	Very low	28	Very low	147 Å²	147	142.6 Å²	142.6	77%	0.77	77%	0.771	S	S	*	*			trans	-21.3	142.2	160.3	-61.2	163.7	0	0	0	121.5
548	L	26	Very low	27.9	Very low	160 Å²	160	140.9 Å²	140.9	84%	0.838	77%	0.772	S	S	*	*				-157.7	122	115.8	-122.1	96.5	0	0	0	108
549	R	28.4	Very low	27.7	Very low	223 Å²	223	141.4 Å²	141.4	84%	0.842	78%	0.776	S	S	*	*				54.9	137.1	96.9	-74.9	-170	168.8	-179.5	-2.5	115.1
550	V	27.2	Very low	27.5	Very low	119 Å²	119	134.3 Å²	134.3	72%	0.721	78%	0.775	S	S	*	*			cis	-160.4	146.1	20.9	97.5	0	0	0	0	113.6
551	V	28.5	Very low	27.3	Very low	140 Å²	140	139.3 Å²	139.3	85%	0.848	79%	0.788	S	S	*	*			trans	38.9	139.7	148.5	178.8	0	0	0	0	120.9
552	G	26.4	Very low	27.4	Very low	59 Å²	59	141.3 Å²	141.3	61%	0.608	79%	0.793	S	S	*	*			cis	-173	155	3	0	0	0	0	0	112.7
553	S	27.1	Very low	27.3	Very low	99 Å²	99	143.9 Å²	143.9	69%	0.692	80%	0.799	S	S	*	*				71.4	111.1	100.7	-75.2	0	0	0	0	115.5
554	Q	26	Very low	27.4	Very low	177 Å²	177	145.1 Å²	145.1	83%	0.827	80%	0.796	S	S	*	*				75.5	141.5	80.2	-77.4	-179.4	68.9	0	0	113.3
555	T	24.9	Very low	27.2	Very low	118 Å²	118	143.3 Å²	143.3	72%	0.724	79%	0.791	S	S	*	*			cis	-126.9	-157	2.9	58.5	0	0	0	0	110.1
556	S	25	Very low	26.4	Very low	90 Å²	90	143.8 Å²	143.8	63%	0.629	80%	0.797	S	S	*	*			cis	-165	148.4	-2.1	20.5	0	0	0	0	111.2
557	E	23.3	Very low	26.6	Very low	189 Å²	189	141.3 Å²	141.3	88%	0.883	79%	0.794	S	S	*	*			trans	36.3	139.8	141.3	-57.1	177	128.1	0	0	124.3
558	S	24.4	Very low	27.2	Very low	119 Å²	119	139.7 Å²	139.7	83%	0.832	79%	0.792	S	S	*	*				126.4	154.4	128.9	-153.7	0	0	0	0	118.8
559	M	25.6	Very low	27.3	Very low	186 Å²	186	140.9 Å²	140.9	92%	0.916	79%	0.793	S	S	*	*			trans	-62.1	158.2	-167.9	-52.2	165.3	70.2	0	0	116.5
560	G	24.2	Very low	27.3	Very low	80 Å²	80	137.3 Å²	137.3	83%	0.825	79%	0.791	S	S	*	*			trans	-177.2	144.7	166.5	0	0	0	0	0	113.9
561	E	26.5	Very low	27.6	Very low	191 Å²	191	138.7 Å²	138.7	89%	0.893	80%	0.8	S	S	*	*			trans	-104.8	168.5	-171.6	-70.8	173.3	116.9	0	0	114.9
562	E	28.4	Very low	28.1	Very low	191 Å²	191	136.7 Å²	136.7	89%	0.893	79%	0.792	S	S	*	*			trans	74.6	158.4	152.9	-79.6	-171.5	150.9	0	0	122.7
563	D	28.3	Very low	29.1	Very low	151 Å²	151	139.3 Å²	139.3	81%	0.807	80%	0.797	S	S	*	*			trans	-80.2	158.6	-168.8	-84.9	-61.5	0	0	0	114.9
564	L	27.9	Very low	29.6	Very low	146 Å²	146	137 Å²	137	76%	0.764	79%	0.788	S	S	*	*				168.7	126.7	109.2	-85.3	168.5	0	0	0	114.4
565	L	25.7	Very low	30.3	Very low	148 Å²	148	135.4 Å²	135.4	78%	0.775	78%	0.784	S	S	*	*			trans	60.7	104.5	144.1	-59.4	167.6	0	0	0	121.4
566	S	25.3	Very low	31.2	Very low	116 Å²	116	137 Å²	137	81%	0.811	78%	0.784	S	S	*	*				152.2	157.6	115	-67.2	0	0	0	0	114.6
567	P	32.3	Very low	31.9	Very low	118 Å²	118	138.9 Å²	138.9	77%	0.766	78%	0.783	S	S	*	*			trans	-118.7	-165	-169.1	46.8	-35.8	0	0	0	112.9
568	P	39.8	Very low	33.1	Very low	114 Å²	114	133.6 Å²	133.6	74%	0.74	76%	0.763	S	S	*	*			cis	-125.8	148.9	-21.6	33.6	-18.4	0	0	0	113.7
569	Q	27.7	Very low	34	Very low	184 Å²	184	134.8 Å²	134.8	86%	0.86	76%	0.757	S	S	*	*			trans	-143.5	130.5	160.7	-71.7	-164.1	-49.8	0	0	113.9
570	D	30	Very low	34.9	Very low	148 Å²	148	132.5 Å²	132.5	79%	0.791	74%	0.744	S	S	*	*			trans	26.1	109.1	154.9	-53.8	-27.6	0	0	0	121.1
571	T	32.8	Very low	35.6	Very low	148 Å²	148	134.3 Å²	134.3	91%	0.908	73%	0.731	S	S	*	*			trans	-87.8	106.9	168	52.4	0	0	0	0	112.1
572	S	39.5	Very low	36.3	Very low	99 Å²	99	130.5 Å²	130.5	69%	0.692	72%	0.717	S	S	*	*			trans	-142.2	-7.3	168.5	69.4	0	0	0	0	116.5
573	T	45.8	Very low	36.9	Very low	114 Å²	114	127.8 Å²	127.8	70%	0.699	71%	0.708	S	S	*	*	G	3₁₀ helix	trans	-83.5	-19.5	-170.6	46.2	0	0	0	0	115.6	L575	T573-L575 PolarHBondContact O-N 2.94Å; T573-L575 VanDerWaalsContact O-N 3.1Å
574	G	38.2	Very low	37.4	Very low	50 Å²	50	126.9 Å²	126.9	52%	0.515	70%	0.703	S	S	.	*	G	3₁₀ helix	trans	-72.1	-0.9	-172	0	0	0	0	0	116.8	V578	G574-V578 WeakPolarHBondContact O-CG2 3.14Å
575	L	40	Very low	37.8	Very low	143 Å²	143	124.1 Å²	124.1	75%	0.749	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-97.2	-35.2	-179.9	-85.5	164.6	0	0	0	113.5	T573 M579	T573-L575 PolarHBondContact O-N 2.94Å; T573-L575 VanDerWaalsContact O-N 3.1Å; L575-M579 PolarHBondContact O-N 3.25Å
576	E	43.8	Very low	38.2	Very low	152 Å²	152	124.9 Å²	124.9	71%	0.71	69%	0.693	S	S	*	*	H	α-helix	trans	-71.4	-40	179.1	-86.1	170.8	131.1	0	0	111.9	V578 M579 E580	E576-V578 VanDerWaalsContact C-N 3.33Å; E576-V578 PolarHBondContact O-N 3.15Å; E576-M579 WeakPolarHBondContact O-CA 3.41Å; E576-M579 WeakPolarHBondContact O-CB 3.46Å; E576-M579 PolarHBondContact O-N 3.4Å; E576-E580 PolarHBondContact O-N 2.75Å
577	E	41.3	Very low	38.4	Very low	129 Å²	129	125.1 Å²	125.1	60%	0.603	69%	0.692	S	S	*	*	H	α-helix	trans	-64.5	-36.3	178.8	-162.7	173.1	-147.5	0	0	112.3	M579 Q581	E577-M579 VanDerWaalsContact C-N 3.32Å; E577-Q581 WeakPolarHBondContact O-CG 3.37Å; E577-Q581 PolarHBondContact O-N 2.72Å
578	V	47.8	Very low	38.3	Very low	78 Å²	78	125.5 Å²	125.5	47%	0.473	70%	0.698	S	S	.	*	H	α-helix	trans	-66.7	-35.4	171.8	172.6	0	0	0	0	111.4	G574 E576 Q581 L582	G574-V578 WeakPolarHBondContact O-CG2 3.14Å; E576-V578 VanDerWaalsContact C-N 3.33Å; E576-V578 PolarHBondContact O-N 3.15Å; V578-Q581 PolarHBondContact O-N 3.07Å; V578-L582 HydrophobicContact CG1-CD1 4.26Å; V578-L582 WeakPolarHBondContact O-CG 3.23Å; V578-L582 PolarHBondContact O-N 2.78Å
579	M	43.3	Very low	37.7	Very low	144 Å²	144	125.6 Å²	125.6	71%	0.709	70%	0.701	S	S	*	*	H	α-helix	trans	-73	-35.7	-180	-155	159	-173.7	0	0	112	L575 E576 E577 N583	L575-M579 PolarHBondContact O-N 3.25Å; E576-M579 WeakPolarHBondContact O-CA 3.41Å; E576-M579 WeakPolarHBondContact O-CB 3.46Å; E576-M579 PolarHBondContact O-N 3.4Å; E577-M579 VanDerWaalsContact C-N 3.32Å; M579-N583 WeakPolarHBondContact O-CB 3.42Å; M579-N583 PolarHBondContact O-N 3.25Å
580	E	44.5	Very low	38.1	Very low	138 Å²	138	128.8 Å²	128.8	65%	0.645	71%	0.705	S	S	*	*	H	α-helix	trans	-70.3	-38.2	169.8	-73.7	-156.8	118.8	0	0	113	E576 N583 N584	E576-E580 PolarHBondContact O-N 2.75Å; E580-N583 PolarHBondContact O-N 3.4Å; E580-N584 PolarHBondContact O-N 3.03Å; E580-N584 PolarHBondContact O-ND2 2.84Å
581	Q	38.7	Very low	38.7	Very low	118 Å²	118	124 Å²	124	55%	0.551	69%	0.692	S	S	*	*	H	α-helix	trans	-64.7	-39.3	176.2	-74.9	-179.4	21.5	0	0	112.3	E577 V578 N583 N584 S585	E577-Q581 WeakPolarHBondContact O-CG 3.37Å; E577-Q581 PolarHBondContact O-N 2.72Å; V578-Q581 PolarHBondContact O-N 3.07Å; Q581-N583 VanDerWaalsContact C-N 3.35Å; Q581-N584 PolarHBondContact O-N 2.83Å; Q581-S585 PolarHBondContact O-N 3.08Å; Q581-S585 PolarHBondContact O-OG 3.21Å
582	L	41.7	Very low	39.1	Very low	112 Å²	112	125.9 Å²	125.9	59%	0.586	69%	0.689	S	S	*	*	H	α-helix	trans	-61.8	-41.4	172.1	-81.1	166.2	0	0	0	112.2	V578 N584 S585	V578-L582 HydrophobicContact CG1-CD1 4.26Å; V578-L582 WeakPolarHBondContact O-CG 3.23Å; V578-L582 PolarHBondContact O-N 2.78Å; L582-N584 VanDerWaalsContact C-N 3.32Å; L582-N584 PolarHBondContact O-N 3.5Å; L582-S585 PolarHBondContact O-N 3.47Å
583	N	40.3	Very low	39.2	Very low	134 Å²	134	127.8 Å²	127.8	72%	0.717	69%	0.692	S	S	*	*	H	α-helix	trans	-69.8	-27.1	-178.5	-157.7	29.7	0	0	0	113.1	M579 E580 Q581	M579-N583 WeakPolarHBondContact O-CB 3.42Å; M579-N583 PolarHBondContact O-N 3.25Å; E580-N583 PolarHBondContact O-N 3.4Å; Q581-N583 VanDerWaalsContact C-N 3.35Å
584	N	39.4	Very low	39	Very low	132 Å²	132	127.4 Å²	127.4	71%	0.706	69%	0.689	S	S	*	*	H	α-helix	trans	-90.8	-6.3	177.7	-73.5	-70.1	0	0	0	114.4	E580 Q581 L582 F586	E580-N584 PolarHBondContact O-N 3.03Å; E580-N584 PolarHBondContact O-ND2 2.84Å; Q581-N584 PolarHBondContact O-N 2.83Å; L582-N584 VanDerWaalsContact C-N 3.32Å; L582-N584 PolarHBondContact O-N 3.5Å; N584-F586 PolarHBondContact O-N 3.2Å
585	S	36.7	Very low	39	Very low	87 Å²	87	127.4 Å²	127.4	61%	0.608	69%	0.689	S	S	*	*	S	Bend	trans	-84.8	0.9	-174.8	-67.6	0	0	0	0	115.2	Q581 L582	Q581-S585 PolarHBondContact O-N 3.08Å; Q581-S585 PolarHBondContact O-OG 3.21Å; L582-S585 PolarHBondContact O-N 3.47Å
586	F	32.4	Very low	39.3	Very low	164 Å²	164	123.3 Å²	123.3	72%	0.719	67%	0.673	S	S	*	*	S	Bend	trans	-126.2	128.5	178.8	-70.5	-82.4	0	0	0	112.3	N584 S588	N584-F586 PolarHBondContact O-N 3.2Å; F586-S588 PolarHBondContact O-N 3.16Å
587	P	31.1	Very low	39.2	Very low	121 Å²	121	122 Å²	122	79%	0.786	67%	0.669	S	S	*	*			trans	-69.9	129.3	177.1	28.4	-33.8	0	0	0	111.5	S589	P587-S589 PolarHBondContact O-N 3.38Å
588	S	30	Very low	39.1	Very low	126 Å²	126	123.2 Å²	123.2	88%	0.881	67%	0.673	S	S	*	*			trans	-73.6	90.8	-177.4	-80.2	0	0	0	0	113.8	F586 R590	F586-S588 PolarHBondContact O-N 3.16Å; S588-R590 VanDerWaalsContact C-N 3.32Å; S588-R590 PolarHBondContact O-N 2.85Å
589	S	27.6	Very low	38.9	Very low	117 Å²	117	125.8 Å²	125.8	82%	0.818	68%	0.68	S	S	*	*			trans	-87.9	56.7	169.8	50.4	0	0	0	0	112.8	P587 G591	P587-S589 PolarHBondContact O-N 3.38Å; S589-G591 PolarHBondContact O-N 3.33Å
590	R	34.5	Very low	39.1	Very low	250 Å²	250	123.9 Å²	123.9	94%	0.943	67%	0.671	S	S	*	*			trans	-81.2	77.6	-176.1	-163.9	-177.1	-169.6	-173.2	5	113.1	S588	S588-R590 VanDerWaalsContact C-N 3.32Å; S588-R590 PolarHBondContact O-N 2.85Å
591	G	42.8	Very low	39.2	Very low	49 Å²	49	120.2 Å²	120.2	51%	0.505	66%	0.663	S	S	.	*	S	Bend	trans	166.7	142	165.7	0	0	0	0	0	115.9	S589	S589-G591 PolarHBondContact O-N 3.33Å
592	H	42.3	Very low	39.5	Very low	186 Å²	186	118.6 Å²	118.6	86%	0.861	66%	0.659	S	S	*	*			trans	68	106.6	177.7	-38.9	93	0	0	0	115.8
593	N	40.8	Very low	40	Very low	139 Å²	139	117.8 Å²	117.8	74%	0.743	66%	0.655	S	S	*	*			trans	174.9	61.2	139.9	-90.4	-19.2	0	0	0	112.2
594	V	42.3	Very low	40.6	Very low	107 Å²	107	117.6 Å²	117.6	65%	0.648	65%	0.653	S	S	*	*	S	Bend	trans	-131.4	-51.3	164.7	-173.2	0	0	0	0	110.2	S596 L597	V594-S596 VanDerWaalsContact C-N 3.3Å; V594-S596 PolarHBondContact O-N 3.23Å; V594-L597 WeakPolarHBondContact O-CB 3.42Å; V594-L597 PolarHBondContact O-N 3.06Å; V594-L597 VanDerWaalsContact O-N 3.16Å
595	G	38.4	Very low	41.1	Very low	49 Å²	49	112.8 Å²	112.8	51%	0.505	64%	0.635	S	S	.	*	H	α-helix	trans	-62.1	-32.4	175.9	0	0	0	0	0	114.5	L597 F598 H599	G595-L597 VanDerWaalsContact C-N 3.28Å; G595-L597 PolarHBondContact O-N 3.13Å; G595-F598 PolarHBondContact O-N 3.09Å; G595-H599 PolarHBondContact O-N 3.25Å
596	S	44.7	Very low	42	Very low	58 Å²	58	115.8 Å²	115.8	41%	0.406	63%	0.633	S	S	.	*	H	α-helix	trans	-63.1	-33.4	176	-169.6	0	0	0	0	112.4	V594 H599 M600	V594-S596 VanDerWaalsContact C-N 3.3Å; V594-S596 PolarHBondContact O-N 3.23Å; S596-H599 PolarHBondContact O-N 3.28Å; S596-M600 WeakPolarHBondContact O-CG 3.41Å; S596-M600 PolarHBondContact O-N 3.01Å
597	L	41.6	Very low	43.1	Very low	123 Å²	123	110.9 Å²	110.9	64%	0.644	62%	0.623	S	S	*	*	H	α-helix	trans	-69.6	-36.5	-179.9	-157.6	76.5	0	0	0	111.8	V594 G595 M600 A601	V594-L597 WeakPolarHBondContact O-CB 3.42Å; V594-L597 PolarHBondContact O-N 3.06Å; V594-L597 VanDerWaalsContact O-N 3.16Å; G595-L597 VanDerWaalsContact C-N 3.28Å; G595-L597 PolarHBondContact O-N 3.13Å; L597-M600 HydrophobicContact CD1-CE 4.39Å; L597-A601 WeakPolarHBondContact O-CB 3.43Å; L597-A601 PolarHBondContact O-N 3.44Å; L597-A601 VanDerWaalsContact O-N 3.09Å
598	F	39.8	Very low	44.1	Very low	155 Å²	155	111.5 Å²	111.5	68%	0.68	62%	0.617	S	S	*	*	H	α-helix	trans	-70.9	-40.4	174.6	-81.9	-84	0	0	0	112.4	G595 A601 D602	G595-F598 PolarHBondContact O-N 3.09Å; F598-A601 PolarHBondContact O-N 3.34Å; F598-D602 PolarHBondContact O-N 2.93Å
599	H	44.2	Very low	45.1	Very low	132 Å²	132	112.4 Å²	112.4	61%	0.611	61%	0.607	S	S	*	*	H	α-helix	trans	-63.1	-45.4	173.8	-85.4	-71	0	0	0	112.3	G595 S596 A601 D602 D603	G595-H599 PolarHBondContact O-N 3.25Å; S596-H599 PolarHBondContact O-N 3.28Å; H599-A601 PolarHBondContact O-N 2.98Å; H599-D602 PolarHBondContact O-N 3.39Å; H599-D602 VanDerWaalsContact O-N 3.15Å; H599-D603 WeakPolarHBondContact O-CB 3.29Å; H599-D603 PolarHBondContact O-N 2.97Å
600	M	46.7	Very low	46.5	Very low	105 Å²	105	110.4 Å²	110.4	52%	0.517	59%	0.593	S	S	.	*	H	α-helix	trans	-63.4	-28.2	175.4	-71.7	-174	-67.9	0	0	113.2	S596 L597 L604	S596-M600 WeakPolarHBondContact O-CG 3.41Å; S596-M600 PolarHBondContact O-N 3.01Å; L597-M600 HydrophobicContact CD1-CE 4.39Å; M600-L604 WeakPolarHBondContact O-CB 3.44Å; M600-L604 PolarHBondContact O-N 3.17Å
601	A	47.6	Very low	47.2	Very low	60 Å²	60	103.6 Å²	103.6	50%	0.496	58%	0.575	S	S	.	*	H	α-helix	trans	-73	-39.9	172.9	0	0	0	0	0	112.5	L597 F598 H599 L604 G605	L597-A601 WeakPolarHBondContact O-CB 3.43Å; L597-A601 PolarHBondContact O-N 3.44Å; L597-A601 VanDerWaalsContact O-N 3.09Å; F598-A601 PolarHBondContact O-N 3.34Å; H599-A601 PolarHBondContact O-N 2.98Å; A601-L604 PolarHBondContact O-N 2.97Å; A601-G605 PolarHBondContact O-N 3.15Å
602	D	44.7	Very low	47.8	Very low	84 Å²	84	105.2 Å²	105.2	45%	0.449	58%	0.575	S	S	.	*	H	α-helix	trans	-66	-40.6	175.7	-137.2	65.2	0	0	0	111.1	F598 H599 G605 R606	F598-D602 PolarHBondContact O-N 2.93Å; H599-D602 PolarHBondContact O-N 3.39Å; H599-D602 VanDerWaalsContact O-N 3.15Å; D602-G605 PolarHBondContact O-N 2.88Å; D602-R606 WeakPolarHBondContact O-CD 3.49Å; D602-R606 VanDerWaalsContact O-CG 3.29Å; D602-R606 WeakPolarHBondContact O-CG 3.31Å; D602-R606 PolarHBondContact O-N 3.27Å; D602-R606 IonicContact OD2-CZ 3.43Å; D602-R606 IonicContact OD2-NE 3.19Å; D602-R606 PolarHBondContact OD2-NE 3.4Å; D602-R606 IonicContact OD2-NH2 2.77Å; D602-R606 PolarHBondContact OD2-NH2 2.93Å
603	D	52.1	Low	48.4	Very low	95 Å²	95	99.2 Å²	99.2	51%	0.508	55%	0.554	S	S	.	*	H	α-helix	trans	-68.7	-36.5	174.9	-69.6	-31.8	0	0	0	112	H599 G605 A607	H599-D603 WeakPolarHBondContact O-CB 3.29Å; H599-D603 PolarHBondContact O-N 2.97Å; D603-G605 VanDerWaalsContact C-N 3.34Å; D603-A607 VanDerWaalsContact O-CB 3.31Å; D603-A607 WeakPolarHBondContact O-CB 3.49Å; D603-A607 PolarHBondContact O-N 2.77Å
604	L	51.8	Low	49.2	Very low	131 Å²	131	96.2 Å²	96.2	69%	0.686	54%	0.54	S	S	*	.	H	α-helix	trans	-63.1	-40.8	169.8	-127.7	83.4	0	0	0	111.6	M600 A601 A607 M608	M600-L604 WeakPolarHBondContact O-CB 3.44Å; M600-L604 PolarHBondContact O-N 3.17Å; A601-L604 PolarHBondContact O-N 2.97Å; L604-A607 PolarHBondContact O-N 3.19Å; L604-M608 WeakPolarHBondContact O-CB 3.39Å; L604-M608 PolarHBondContact O-N 3.12Å
605	G	50.1	Low	49.7	Very low	31 Å²	31	96.8 Å²	96.8	32%	0.32	54%	0.537	S	S	.	.	H	α-helix	trans	-59.4	-50.6	176.3	0	0	0	0	0	111.8	A601 D602 D603 A607 M608 E609	A601-G605 PolarHBondContact O-N 3.15Å; D602-G605 PolarHBondContact O-N 2.88Å; D603-G605 VanDerWaalsContact C-N 3.34Å; G605-A607 PolarHBondContact O-N 2.93Å; G605-M608 PolarHBondContact O-N 2.92Å; G605-M608 VanDerWaalsContact O-N 3.12Å; G605-E609 PolarHBondContact O-N 2.96Å
606	R	55.5	Low	50.5	Low	149 Å²	149	98.5 Å²	98.5	56%	0.562	54%	0.538	S	S	*	.	H	α-helix	trans	-63.1	-38.6	177.1	-66.4	161.4	-166.5	-100.7	-0.4	112.5	D602 M608 S610	D602-R606 WeakPolarHBondContact O-CD 3.49Å; D602-R606 VanDerWaalsContact O-CG 3.29Å; D602-R606 WeakPolarHBondContact O-CG 3.31Å; D602-R606 PolarHBondContact O-N 3.27Å; D602-R606 IonicContact OD2-CZ 3.43Å; D602-R606 IonicContact OD2-NE 3.19Å; D602-R606 PolarHBondContact OD2-NE 3.4Å; D602-R606 IonicContact OD2-NH2 2.77Å; D602-R606 PolarHBondContact OD2-NH2 2.93Å; R606-M608 VanDerWaalsContact C-N 3.32Å; R606-S610 VanDerWaalsContact O-CB 3.3Å; R606-S610 WeakPolarHBondContact O-CB 3.48Å; R606-S610 PolarHBondContact O-N 2.86Å
607	A	55.5	Low	50.8	Low	61 Å²	61	100.8 Å²	100.8	50%	0.504	55%	0.546	S	S	.	.	H	α-helix	trans	-64.4	-37.4	173.7	0	0	0	0	0	111.8	D603 L604 G605 L611	D603-A607 VanDerWaalsContact O-CB 3.31Å; D603-A607 WeakPolarHBondContact O-CB 3.49Å; D603-A607 PolarHBondContact O-N 2.77Å; L604-A607 PolarHBondContact O-N 3.19Å; G605-A607 PolarHBondContact O-N 2.93Å; A607-L611 WeakPolarHBondContact O-CB 3.3Å; A607-L611 PolarHBondContact O-N 3.39Å
608	M	53.6	Low	51.3	Low	134 Å²	134	102.1 Å²	102.1	66%	0.66	55%	0.549	S	S	*	.	H	α-helix	trans	-74.1	-38.6	177.8	-159.4	173.3	76	0	0	112.5	L604 G605 R606 L611 V612	L604-M608 WeakPolarHBondContact O-CB 3.39Å; L604-M608 PolarHBondContact O-N 3.12Å; G605-M608 PolarHBondContact O-N 2.92Å; G605-M608 VanDerWaalsContact O-N 3.12Å; R606-M608 VanDerWaalsContact C-N 3.32Å; M608-L611 PolarHBondContact O-N 2.98Å; M608-V612 WeakPolarHBondContact O-CB 3.39Å; M608-V612 VanDerWaalsContact O-CG2 3.3Å; M608-V612 WeakPolarHBondContact O-CG2 3.35Å; M608-V612 PolarHBondContact O-N 3.46Å
609	E	50.2	Low	51.7	Low	145 Å²	145	103.4 Å²	103.4	68%	0.678	56%	0.557	S	S	*	*	H	α-helix	trans	-61.9	-42.9	170.7	-73.5	-174.8	140	0	0	111.7	G605 V612 S613	G605-E609 PolarHBondContact O-N 2.96Å; E609-V612 PolarHBondContact O-N 3.28Å; E609-S613 PolarHBondContact O-N 3.39Å
610	S	57.9	Low	52.1	Low	76 Å²	76	100.3 Å²	100.3	53%	0.531	56%	0.561	S	S	.	*	H	α-helix	trans	-63	-42.1	176.1	-169.5	0	0	0	0	112.1	R606 S613 V614	R606-S610 VanDerWaalsContact O-CB 3.3Å; R606-S610 WeakPolarHBondContact O-CB 3.48Å; R606-S610 PolarHBondContact O-N 2.86Å; S610-S613 PolarHBondContact O-N 3.34Å; S610-V614 WeakPolarHBondContact O-CG2 3.3Å; S610-V614 PolarHBondContact O-N 3.04Å; S610-V614 VanDerWaalsContact O-N 3.12Å
611	L	48.5	Very low	52.2	Low	106 Å²	106	99.1 Å²	99.1	56%	0.555	57%	0.568	S	S	*	*	H	α-helix	trans	-65.1	-41.4	175.9	-169.1	70.9	0	0	0	112	A607 M608 V614 M615	A607-L611 WeakPolarHBondContact O-CB 3.3Å; A607-L611 PolarHBondContact O-N 3.39Å; M608-L611 PolarHBondContact O-N 2.98Å; L611-V614 PolarHBondContact O-N 2.95Å; L611-M615 HydrophobicContact CG-SD 4.46Å; L611-M615 WeakPolarHBondContact O-CG 3.43Å; L611-M615 PolarHBondContact O-N 3.46Å
612	V	54.7	Low	51.8	Low	84 Å²	84	109.1 Å²	109.1	51%	0.509	60%	0.604	S	S	.	*	H	α-helix	trans	-63.9	-42.6	175.7	168.1	0	0	0	0	111.2	M608 E609 V614 M615 T616	M608-V612 WeakPolarHBondContact O-CB 3.39Å; M608-V612 VanDerWaalsContact O-CG2 3.3Å; M608-V612 WeakPolarHBondContact O-CG2 3.35Å; M608-V612 PolarHBondContact O-N 3.46Å; E609-V612 PolarHBondContact O-N 3.28Å; V612-V614 PolarHBondContact O-N 3.49Å; V612-M615 PolarHBondContact O-N 3.12Å; V612-T616 PolarHBondContact O-N 3.12Å; V612-T616 PolarHBondContact O-OG1 2.92Å; V612-T616 VanDerWaalsContact O-OG1 3.12Å
613	S	54.7	Low	52.2	Low	59 Å²	59	110.4 Å²	110.4	41%	0.413	61%	0.612	S	S	.	*	H	α-helix	trans	-57.6	-50	176.1	-166.4	0	0	0	0	111.5	E609 S610 M615 T616 D617	E609-S613 PolarHBondContact O-N 3.39Å; S610-S613 PolarHBondContact O-N 3.34Å; S613-M615 VanDerWaalsContact C-N 3.32Å; S613-M615 PolarHBondContact O-N 2.84Å; S613-T616 WeakPolarHBondContact CA-OG1 3.47Å; S613-T616 PolarHBondContact O-N 3.33Å; S613-T616 VanDerWaalsContact O-N 3.13Å; S613-T616 PolarHBondContact O-OG1 3.49Å; S613-D617 PolarHBondContact O-N 3.13Å
614	V	58.4	Low	52.2	Low	77 Å²	77	111.2 Å²	111.2	47%	0.467	62%	0.617	S	S	.	*	H	α-helix	trans	-60.8	-41.2	179.2	172.1	0	0	0	0	111.4	S610 L611 V612 T616 D617 E618	S610-V614 WeakPolarHBondContact O-CG2 3.3Å; S610-V614 PolarHBondContact O-N 3.04Å; S610-V614 VanDerWaalsContact O-N 3.12Å; L611-V614 PolarHBondContact O-N 2.95Å; V612-V614 PolarHBondContact O-N 3.49Å; V614-T616 PolarHBondContact O-N 2.93Å; V614-D617 PolarHBondContact O-N 3.12Å; V614-E618 PolarHBondContact O-N 3.39Å; V614-E618 VanDerWaalsContact O-N 3.12Å
615	M	52.2	Low	52.2	Low	118 Å²	118	110.1 Å²	110.1	58%	0.581	61%	0.613	S	S	*	*	H	α-helix	trans	-67.2	-32.8	176.4	-70.7	-177.9	68.2	0	0	113.2	L611 V612 S613	L611-M615 HydrophobicContact CG-SD 4.46Å; L611-M615 WeakPolarHBondContact O-CG 3.43Å; L611-M615 PolarHBondContact O-N 3.46Å; V612-M615 PolarHBondContact O-N 3.12Å; S613-M615 VanDerWaalsContact C-N 3.32Å; S613-M615 PolarHBondContact O-N 2.84Å
616	T	54.9	Low	52.3	Low	85 Å²	85	114.7 Å²	114.7	52%	0.521	63%	0.631	S	S	.	*	H	α-helix	trans	-77.6	-25.1	174.3	50	0	0	0	0	113.8	V612 S613 V614	V612-T616 PolarHBondContact O-N 3.12Å; V612-T616 PolarHBondContact O-OG1 2.92Å; V612-T616 VanDerWaalsContact O-OG1 3.12Å; S613-T616 WeakPolarHBondContact CA-OG1 3.47Å; S613-T616 PolarHBondContact O-N 3.33Å; S613-T616 VanDerWaalsContact O-N 3.13Å; S613-T616 PolarHBondContact O-OG1 3.49Å; V614-T616 PolarHBondContact O-N 2.93Å
617	D	51.9	Low	52.1	Low	107 Å²	107	112.6 Å²	112.6	57%	0.572	64%	0.635	S	S	*	*	H	α-helix	trans	-77.7	-31.3	176	-70.9	-38.8	0	0	0	111.8	S613 V614 G620	S613-D617 PolarHBondContact O-N 3.13Å; V614-D617 PolarHBondContact O-N 3.12Å; D617-G620 PolarHBondContact O-N 3.18Å
618	E	51.4	Low	51.9	Low	150 Å²	150	116 Å²	116	70%	0.701	64%	0.644	S	S	*	*	H	α-helix	trans	-72.4	-33.2	174	-72.8	-168.3	151.2	0	0	113.3	V614 G620 A621	V614-E618 PolarHBondContact O-N 3.39Å; V614-E618 VanDerWaalsContact O-N 3.12Å; E618-G620 PolarHBondContact O-N 3.32Å; E618-A621 PolarHBondContact O-N 3.42Å
619	E	49.9	Very low	51.8	Low	182 Å²	182	114.7 Å²	114.7	85%	0.85	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	-2.5	171.6	-71.4	-165.9	150.5	0	0	113.6
620	G	51.9	Low	51.9	Low	68 Å²	68	112.4 Å²	112.4	70%	0.701	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	2.6	175.9	0	0	0	0	0	115.5	D617 E618	D617-G620 PolarHBondContact O-N 3.18Å; E618-G620 PolarHBondContact O-N 3.32Å
621	A	49.4	Very low	51.4	Low	79 Å²	79	115.4 Å²	115.4	65%	0.653	65%	0.649	S	S	*	*			trans	-133.9	16.4	-161.1	0	0	0	0	0	117.5	E618	E618-A621 PolarHBondContact O-N 3.42Å
622	E	39.2	Very low	51.7	Low	270 Å²	270	116.3 Å²	116.3	100%	1.262	66%	0.657	S	S	*	*			trans	-130.5	0	161	-74.1	-157.2	138.9	0	0	112.3

Retrieved 622 of 622 residues in 2120.4 ms (Link to these results)

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