A0A087XT57_POEFO Loading...

Glycogen [starch] synthase

Glycogen synthase participates in the glycogen biosynthetic process along with glycogenin and glycogen branching enzyme. Extends the primer composed of a few glucose units formed by glycogenin by adding new glucose units to it. In this context, glycogen synthase transfers the glycosyl residue from UDP-Glc to the non-reducing end of alpha-1,4-glucan. Transfers the glycosyl residue from UDP-Glc to the non-reducing end of alpha-1,4-glucan.

AlphaFold DB (A0A3B3VXQ7), UniProt , Accession A0A087XT57, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 704 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	28.7	Very low	29.8	Very low	231 Å²	231	136.3 Å²	136.3	100%	1.138	75%	0.753	S	S	*	*				0	123.4	0	-68.1	-179.7	-173.7	0	0	107.2	L3	M1-L3 PolarHBondContact O-N 2.98Å
2	P	27.7	Very low	30.8	Very low	135 Å²	135	127.5 Å²	127.5	88%	0.877	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-74	120.9	178.2	29.7	-28.2	0	0	0	108.4	S4	P2-S4 PolarHBondContact O-N 3.33Å
3	L	23.1	Very low	31.3	Very low	171 Å²	171	123.5 Å²	123.5	90%	0.895	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-56.7	124.9	173.8	-74.4	153.9	0	0	0	109	M1 R5	M1-L3 PolarHBondContact O-N 2.98Å; L3-R5 PolarHBondContact O-N 3.49Å
4	S	23.6	Very low	31.8	Very low	113 Å²	113	120 Å²	120	79%	0.79	70%	0.696	S	S	*	*	P	Polyproline II helix	trans	-55	121	172.2	47.5	0	0	0	0	109.6	P2 S6	P2-S4 PolarHBondContact O-N 3.33Å; S4-S6 PolarHBondContact O-N 2.93Å; S4-S6 VanDerWaalsContact O-N 3.16Å
5	R	25.6	Very low	32.4	Very low	241 Å²	241	114.9 Å²	114.9	91%	0.909	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-54.6	117.9	164.6	-74.5	176.8	171.9	175.2	-3.8	107.8	L3 L7	L3-R5 PolarHBondContact O-N 3.49Å; R5-L7 PolarHBondContact O-N 3.13Å; R5-L7 VanDerWaalsContact O-N 3.15Å
6	S	26.7	Very low	32.9	Very low	109 Å²	109	110.2 Å²	110.2	76%	0.762	63%	0.634	S	S	*	*			trans	-63.1	115.8	171.4	59.4	0	0	0	0	108.5	S4 S8	S4-S6 PolarHBondContact O-N 2.93Å; S4-S6 VanDerWaalsContact O-N 3.16Å; S6-S8 PolarHBondContact O-N 3Å
7	L	26	Very low	33.2	Very low	158 Å²	158	108.5 Å²	108.5	83%	0.827	63%	0.628	S	S	*	*			trans	-59.7	116.7	175.7	-78.9	148	0	0	0	109.9	R5	R5-L7 PolarHBondContact O-N 3.13Å; R5-L7 VanDerWaalsContact O-N 3.15Å
8	S	37	Very low	33.5	Very low	91 Å²	91	106.8 Å²	106.8	64%	0.636	63%	0.629	S	S	*	*			trans	-86.4	158.7	163.5	92.5	0	0	0	0	110	S6	S6-S8 PolarHBondContact O-N 3Å
9	I	32.7	Very low	34.1	Very low	114 Å²	114	107.9 Å²	107.9	59%	0.585	62%	0.621	S	S	*	*	S	Bend	trans	90.8	-7.1	167.8	-70.9	168.5	0	0	0	118.4
10	T	36	Very low	34.6	Very low	98 Å²	98	110.7 Å²	110.7	60%	0.601	63%	0.628	S	S	*	*			trans	-92.9	-3.1	-176.6	43	0	0	0	0	117.6	L12 S13	T10-L12 VanDerWaalsContact C-N 3.33Å; T10-L12 PolarHBondContact O-N 3.1Å; T10-S13 WeakPolarHBondContact CA-OG 3.49Å; T10-S13 PolarHBondContact O-OG 3.1Å
11	S	40.5	Very low	35	Very low	38 Å²	38	111.7 Å²	111.7	27%	0.266	63%	0.632	S	S	.	*	S	Bend	trans	-74.9	-15.2	-170.9	52.4	0	0	0	0	115.7
12	L	42	Very low	36.2	Very low	31 Å²	31	106.4 Å²	106.4	16%	0.162	61%	0.609	C	S	.	*	S	Bend	trans	-132.9	-3.9	176.1	-69.3	170.4	0	0	0	113.5	T10 G14 L15 F16 D596 F636 I682	T10-L12 VanDerWaalsContact C-N 3.33Å; T10-L12 PolarHBondContact O-N 3.1Å; L12-G14 PolarHBondContact O-N 3.18Å; L12-L15 HydrophobicContact CD2-CD1 4.24Å; L12-L15 PolarHBondContact O-N 3.38Å; L12-F16 HydrophobicContact CB-CD2 4.33Å; L12-F16 HydrophobicContact CB-CE2 3.57Å; L12-F16 HydrophobicContact CB-CZ 4.22Å; L12-F16 HydrophobicContact CD1-CE2 4.25Å; L12-F16 HydrophobicContact CD1-CZ 4.27Å; L12-F16 HydrophobicContact CD2-CE2 4.33Å; L12-F16 HydrophobicContact CD2-CZ 4.15Å; L12-F16 HydrophobicContact CG-CE2 4.28Å; L12-F16 HydrophobicContact CG-CZ 4.47Å; L12-F16 WeakPolarHBondContact O-CD2 3.39Å; L12-D596 HydrophobicContact CD1-CB 4.42Å; L12-F636 HydrophobicContact CD2-CE2 4.09Å; L12-F636 HydrophobicContact CD2-CZ 4.24Å; L12-I682 HydrophobicContact CD2-CD1 4.37Å
13	S	37.7	Very low	37.9	Very low	76 Å²	76	108.2 Å²	108.2	53%	0.531	61%	0.605	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.6	4.7	-174.7	64.6	0	0	0	0	114.6	T10	T10-S13 WeakPolarHBondContact CA-OG 3.49Å; T10-S13 PolarHBondContact O-OG 3.1Å
14	G	37.9	Very low	40.4	Very low	74 Å²	74	100.8 Å²	100.8	76%	0.763	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.2	4	175	0	0	0	0	0	114.8	L12	L12-G14 PolarHBondContact O-N 3.18Å
15	L	40.2	Very low	43.2	Very low	43 Å²	43	98.2 Å²	98.2	23%	0.225	55%	0.547	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-7.5	-177.9	-84.6	161.7	0	0	0	113.5	L12 I682	L12-L15 HydrophobicContact CD2-CD1 4.24Å; L12-L15 PolarHBondContact O-N 3.38Å; L15-I682 HydrophobicContact CD1-CB 3.83Å; L15-I682 HydrophobicContact CD1-CD1 3.64Å; L15-I682 HydrophobicContact CD1-CG1 4.29Å; L15-I682 HydrophobicContact CD1-CG2 3.93Å; L15-I682 HydrophobicContact CD2-CB 3.84Å; L15-I682 HydrophobicContact CD2-CG2 3.79Å; L15-I682 WeakPolarHBondContact CD2-O 3.41Å; L15-I682 HydrophobicContact CG-CB 4.46Å; L15-I682 HydrophobicContact CG-CG2 4.32Å
16	F	41.8	Very low	45.9	Very low	40 Å²	40	88 Å²	88	18%	0.175	51%	0.511	C	S	.	.	S	Bend	trans	-101.8	145.2	178.6	-60.1	-60.3	0	0	0	109.8	L12 Y602 R605 F636	L12-F16 HydrophobicContact CB-CD2 4.33Å; L12-F16 HydrophobicContact CB-CE2 3.57Å; L12-F16 HydrophobicContact CB-CZ 4.22Å; L12-F16 HydrophobicContact CD1-CE2 4.25Å; L12-F16 HydrophobicContact CD1-CZ 4.27Å; L12-F16 HydrophobicContact CD2-CE2 4.33Å; L12-F16 HydrophobicContact CD2-CZ 4.15Å; L12-F16 HydrophobicContact CG-CE2 4.28Å; L12-F16 HydrophobicContact CG-CZ 4.47Å; L12-F16 WeakPolarHBondContact O-CD2 3.39Å; F16-Y602 AromaticContact CE1-CE2 3.73Å; F16-Y602 HydrophobicContact CE1-CE2 3.73Å; F16-Y602 HydrophobicContact CE2-CD2 4.22Å; F16-Y602 HydrophobicContact CE2-CE2 4.21Å; F16-Y602 AromaticContact CZ-CD2 3.86Å; F16-Y602 HydrophobicContact CZ-CD2 3.86Å; F16-Y602 AromaticContact CZ-CE2 3.49Å; F16-Y602 HydrophobicContact CZ-CE2 3.49Å; F16-Y602 VanDerWaalsContact CZ-CE2 3.49Å; F16-R605 VanDerWaalsContact CD2-NH1 3.35Å; F16-F636 HydrophobicContact CD1-CD2 4.21Å; F16-F636 HydrophobicContact CE1-CB 4.46Å; F16-F636 AromaticContact CE1-CD2 3.39Å; F16-F636 HydrophobicContact CE1-CD2 3.39Å; F16-F636 AromaticContact CE1-CE2 3.63Å; F16-F636 HydrophobicContact CE1-CE2 3.63Å; F16-F636 AromaticContact CE1-CG 3.87Å; F16-F636 HydrophobicContact CE1-CG 3.87Å; F16-F636 HydrophobicContact CE1-CZ 4.33Å; F16-F636 HydrophobicContact CZ-CD2 4.12Å; F16-F636 AromaticContact CZ-CE2 3.88Å; F16-F636 HydrophobicContact CZ-CE2 3.88Å; F16-F636 HydrophobicContact CZ-CZ 4.31Å
17	P	36.6	Very low	48.6	Very low	82 Å²	82	91.4 Å²	91.4	53%	0.532	52%	0.515	S	S	.	.			trans	-53.1	163.3	172.3	-20.3	30.8	0	0	0	111	W19	P17-W19 VanDerWaalsContact C-N 3.29Å; P17-W19 VanDerWaalsContact O-CD1 3.22Å; P17-W19 PolarHBondContact O-N 3.08Å
18	A	39.2	Very low	51.4	Low	78 Å²	78	87.3 Å²	87.3	65%	0.645	49%	0.494	S	S	*	.			trans	-57.9	90.5	171	0	0	0	0	0	110.5	E20	A18-E20 VanDerWaalsContact C-N 3.34Å
19	W	45.2	Very low	54	Low	127 Å²	127	83 Å²	83	48%	0.481	46%	0.464	S	S	.	.			trans	-95.5	-1.1	164.9	-75.7	75.3	0	0	0	110.5	P17 D21 L631	P17-W19 VanDerWaalsContact C-N 3.29Å; P17-W19 VanDerWaalsContact O-CD1 3.22Å; P17-W19 PolarHBondContact O-N 3.08Å; W19-D21 PolarHBondContact O-N 2.78Å; W19-L631 HydrophobicContact CD2-CD1 4.3Å; W19-L631 HydrophobicContact CE3-CD1 3.9Å; W19-L631 HydrophobicContact CH2-CB 4.38Å; W19-L631 HydrophobicContact CH2-CD1 3.07Å; W19-L631 HydrophobicContact CH2-CD2 3.63Å; W19-L631 HydrophobicContact CH2-CG 3.05Å; W19-L631 HydrophobicContact CZ2-CD1 3.46Å; W19-L631 VanDerWaalsContact CZ2-CD1 3.46Å; W19-L631 HydrophobicContact CZ2-CD2 3.05Å; W19-L631 HydrophobicContact CZ2-CG 3.11Å; W19-L631 HydrophobicContact CZ3-CD1 3.24Å; W19-L631 HydrophobicContact CZ3-CD2 4.48Å; W19-L631 HydrophobicContact CZ3-CG 3.83Å
20	E	43.7	Very low	57	Low	163 Å²	163	77.6 Å²	77.6	76%	0.762	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-5.1	180	-69.1	-176.7	160.3	0	0	113.3	A18	A18-E20 VanDerWaalsContact C-N 3.34Å
21	D	43.7	Very low	59.9	Low	132 Å²	132	73 Å²	73	71%	0.706	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-12.8	-170.9	-72.6	-30.4	0	0	0	115.3	W19	W19-D21 PolarHBondContact O-N 2.78Å
22	D	52.7	Low	62.7	Low	121 Å²	121	71.1 Å²	71.1	65%	0.647	40%	0.395	S	S	*	.			trans	-127.4	64.3	178.6	-75.8	-31.4	0	0	0	111.6	L24	D22-L24 PolarHBondContact O-N 3.39Å
23	E	65.1	Low	65.4	Low	173 Å²	173	69.7 Å²	69.7	81%	0.808	39%	0.387	S	S	*	.			trans	-64	130.2	167.1	-73.9	-173	163.6	0	0	109.9
24	L	74.6	Confident	68.3	Low	15 Å²	15	66.1 Å²	66.1	8%	0.079	36%	0.362	C	S	.	.			trans	-59.3	138.5	172.2	-75.2	173.7	0	0	0	108.6	D22 V26 L29 W60 T608 R611 H612 L615	D22-L24 PolarHBondContact O-N 3.39Å; L24-V26 HydrophobicContact CB-CG2 4.37Å; L24-V26 WeakPolarHBondContact O-CG2 3.49Å; L24-V26 PolarHBondContact O-N 2.75Å; L24-L29 HydrophobicContact CB-CD1 4.23Å; L24-L29 HydrophobicContact CD2-CD1 4.48Å; L24-W60 HydrophobicContact CD1-CZ2 4.04Å; L24-T608 HydrophobicContact CD1-CG2 4.22Å; L24-R611 HydrophobicContact CD1-CB 4.42Å; L24-H612 HydrophobicContact CD2-CB 3.95Å; L24-L615 HydrophobicContact CD2-CD1 3.68Å
25	P	81.7	Confident	71.2	Confident	59 Å²	59	62.6 Å²	62.6	38%	0.383	33%	0.326	S	S	.	.			trans	-73.9	73.1	174.7	31.6	-35.1	0	0	0	109.1	E27 D28 L29 Y623	P25-E27 PolarHBondContact O-N 2.95Å; P25-E27 VanDerWaalsContact O-N 3.14Å; P25-D28 HydrophobicContact CB-CB 4.43Å; P25-D28 PolarHBondContact O-N 3.04Å; P25-L29 HydrophobicContact CG-CD1 4.35Å; P25-L29 WeakPolarHBondContact O-CG 3.36Å; P25-Y623 HydrophobicContact CG-CE1 3.85Å
26	V	83.6	Confident	73.9	Confident	27 Å²	27	62.1 Å²	62.1	16%	0.164	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-54.3	-35.5	-173.1	171.4	0	0	0	0	111.4	L24 D28 L29 W60 N63	L24-V26 HydrophobicContact CB-CG2 4.37Å; L24-V26 WeakPolarHBondContact O-CG2 3.49Å; L24-V26 PolarHBondContact O-N 2.75Å; V26-D28 PolarHBondContact O-N 3.17Å; V26-L29 PolarHBondContact O-N 3.4Å; V26-L29 VanDerWaalsContact O-N 3.12Å; V26-L29 VanDerWaalsContact O-O 3.09Å; V26-W60 HydrophobicContact CG1-CB 4.31Å; V26-W60 HydrophobicContact CG1-CD2 4.17Å; V26-W60 HydrophobicContact CG1-CE3 3.96Å; V26-W60 HydrophobicContact CG1-CG 4.37Å; V26-W60 HydrophobicContact CG2-CD2 4.49Å; V26-N63 PolarHBondContact O-ND2 3.33Å
27	E	82.7	Confident	76.6	Confident	180 Å²	180	61 Å²	61	84%	0.841	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-59.7	-30.7	178.5	-60.6	-175.2	172.1	0	0	113	P25	P25-E27 PolarHBondContact O-N 2.95Å; P25-E27 VanDerWaalsContact O-N 3.14Å
28	D	85.8	Confident	79.5	Confident	71 Å²	71	57.1 Å²	57.1	38%	0.38	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-95.4	7.3	-178.9	-90.7	5.4	0	0	0	113	P25 V26 K174 P175 N176	P25-D28 HydrophobicContact CB-CB 4.43Å; P25-D28 PolarHBondContact O-N 3.04Å; V26-D28 PolarHBondContact O-N 3.17Å; D28-K174 IonicContact OD2-NZ 3.33Å; D28-K174 PolarHBondContact OD2-NZ 3.06Å; D28-P175 WeakPolarHBondContact O-CA 3.13Å; D28-P175 WeakPolarHBondContact O-CB 3.4Å; D28-N176 PolarHBondContact O-N 2.71Å
29	L	92	Very high	82.1	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	152	-171.8	-65.9	173	0	0	0	111.7	L24 P25 V26 W60 N63 N176 L615 Y623	L24-L29 HydrophobicContact CB-CD1 4.23Å; L24-L29 HydrophobicContact CD2-CD1 4.48Å; P25-L29 HydrophobicContact CG-CD1 4.35Å; P25-L29 WeakPolarHBondContact O-CG 3.36Å; V26-L29 PolarHBondContact O-N 3.4Å; V26-L29 VanDerWaalsContact O-N 3.12Å; V26-L29 VanDerWaalsContact O-O 3.09Å; L29-W60 HydrophobicContact CB-CH2 3.98Å; L29-W60 HydrophobicContact CB-CZ3 3.61Å; L29-W60 HydrophobicContact CD1-CH2 4.03Å; L29-W60 HydrophobicContact CD1-CZ3 4.47Å; L29-N63 VanDerWaalsContact O-CB 3.32Å; L29-N63 WeakPolarHBondContact O-CB 3.34Å; L29-N63 VanDerWaalsContact O-CG 3.32Å; L29-N63 PolarHBondContact O-ND2 2.75Å; L29-N176 WeakPolarHBondContact CA-O 3.49Å; L29-N176 HydrophobicContact CD2-CB 3.86Å; L29-L615 HydrophobicContact CD1-CD1 3.77Å; L29-L615 HydrophobicContact CD2-CD1 4.14Å; L29-L615 HydrophobicContact CD2-CD2 3.95Å; L29-Y623 WeakPolarHBondContact CD2-OH 3.2Å
30	M	95.3	Very high	84.5	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.01	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	128.9	168.1	-60.5	-177.4	78	0	0	109.7	F32 Y65 I89 L171 P175 N176 I178	M30-F32 HydrophobicContact CB-CD2 4.37Å; M30-F32 HydrophobicContact CB-CE2 3.65Å; M30-F32 HydrophobicContact CB-CZ 4.4Å; M30-F32 HydrophobicContact CE-CE2 4.32Å; M30-F32 HydrophobicContact CE-CZ 3.93Å; M30-Y65 HydrophobicContact CE-CD2 4.34Å; M30-Y65 HydrophobicContact CE-CE2 3.64Å; M30-I89 HydrophobicContact CE-CD1 3.63Å; M30-I89 HydrophobicContact CE-CG1 3.98Å; M30-L171 HydrophobicContact SD-CD1 4.09Å; M30-L171 HydrophobicContact SD-CD2 4.17Å; M30-P175 HydrophobicContact CG-CB 4.29Å; M30-P175 HydrophobicContact CG-CG 3.86Å; M30-P175 HydrophobicContact SD-CG 3.84Å; M30-N176 PolarHBondContact N-O 3.4Å; M30-N176 VanDerWaalsContact N-O 3.15Å; M30-I178 PolarHBondContact O-N 2.79Å
31	L	97.3	Very high	86.7	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	122.4	178.5	176.2	64.6	0	0	0	110.5	T56 W60 N63 Y64 Y65 I178 R611	L31-T56 HydrophobicContact CD2-CG2 3.82Å; L31-W60 HydrophobicContact CB-CD2 3.74Å; L31-W60 HydrophobicContact CB-CE3 3.41Å; L31-W60 VanDerWaalsContact CB-CE3 3.41Å; L31-W60 HydrophobicContact CB-CH2 3.94Å; L31-W60 HydrophobicContact CB-CZ2 4.23Å; L31-W60 HydrophobicContact CB-CZ3 3.52Å; L31-W60 HydrophobicContact CD2-CD2 3.77Å; L31-W60 HydrophobicContact CD2-CE3 4.35Å; L31-W60 HydrophobicContact CD2-CG 4.03Å; L31-W60 HydrophobicContact CD2-CZ2 4.13Å; L31-W60 HydrophobicContact CG-CD2 4.41Å; L31-N63 PolarHBondContact N-O 3.42Å; L31-Y64 HydrophobicContact CB-CD2 4.3Å; L31-Y64 HydrophobicContact CD2-CD2 3.65Å; L31-Y64 HydrophobicContact CD2-CE2 4.03Å; L31-Y64 HydrophobicContact CG-CD2 3.86Å; L31-Y64 HydrophobicContact CG-CE2 4.33Å; L31-Y64 WeakPolarHBondContact O-CA 3.4Å; L31-Y65 PolarHBondContact O-N 2.79Å; L31-I178 HydrophobicContact CD1-CB 4.05Å; L31-I178 HydrophobicContact CD1-CG2 3.93Å; L31-R611 VanDerWaalsContact CD2-CZ 3.48Å
32	F	98.4	Very high	88.7	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	118.6	173.4	-64	-95.3	0	0	0	109.7	M30 Y65 M67 I89 I117 F163 F164 L167 V177 I178 S179 H180	M30-F32 HydrophobicContact CB-CD2 4.37Å; M30-F32 HydrophobicContact CB-CE2 3.65Å; M30-F32 HydrophobicContact CB-CZ 4.4Å; M30-F32 HydrophobicContact CE-CE2 4.32Å; M30-F32 HydrophobicContact CE-CZ 3.93Å; F32-Y65 CarbonylContact C-O 3.55Å; F32-Y65 VanDerWaalsContact CA-O 3.26Å; F32-Y65 WeakPolarHBondContact CA-O 3.38Å; F32-Y65 HydrophobicContact CD1-CD2 4.41Å; F32-Y65 HydrophobicContact CD1-CG 4.24Å; F32-Y65 AromaticContact CE1-CD2 3.96Å; F32-Y65 HydrophobicContact CE1-CD2 3.96Å; F32-Y65 AromaticContact CE1-CG 3.89Å; F32-Y65 HydrophobicContact CE1-CG 3.89Å; F32-Y65 HydrophobicContact CZ-CD2 4.1Å; F32-Y65 HydrophobicContact CZ-CG 4.48Å; F32-M67 HydrophobicContact CB-SD 4.12Å; F32-M67 HydrophobicContact CD1-CE 4.23Å; F32-M67 HydrophobicContact CD1-CG 4.14Å; F32-M67 HydrophobicContact CD1-SD 3.68Å; F32-M67 HydrophobicContact CG-SD 4.26Å; F32-I89 HydrophobicContact CE1-CD1 3.87Å; F32-I89 HydrophobicContact CZ-CD1 3.68Å; F32-I117 HydrophobicContact CD1-CD1 4.48Å; F32-I117 HydrophobicContact CE1-CD1 4.02Å; F32-F163 HydrophobicContact CD1-CE1 4.43Å; F32-F163 AromaticContact CE1-CE1 3.81Å; F32-F163 HydrophobicContact CE1-CE1 3.81Å; F32-F163 HydrophobicContact CE1-CZ 4.26Å; F32-F163 HydrophobicContact CZ-CE1 4.29Å; F32-F164 HydrophobicContact CB-CE1 3.87Å; F32-F164 HydrophobicContact CB-CZ 3.67Å; F32-F164 HydrophobicContact CD1-CE1 4.01Å; F32-F164 HydrophobicContact CD1-CZ 4.37Å; F32-F164 AromaticContact CD2-CE1 3.7Å; F32-F164 HydrophobicContact CD2-CE1 3.7Å; F32-F164 HydrophobicContact CD2-CZ 4.38Å; F32-F164 HydrophobicContact CE1-CE1 4.49Å; F32-F164 HydrophobicContact CE2-CE1 4.19Å; F32-F164 AromaticContact CG-CE1 3.58Å; F32-F164 HydrophobicContact CG-CE1 3.58Å; F32-F164 AromaticContact CG-CZ 3.91Å; F32-F164 HydrophobicContact CG-CZ 3.91Å; F32-L167 HydrophobicContact CE1-CD2 4.33Å; F32-L167 HydrophobicContact CE2-CD2 3.62Å; F32-L167 HydrophobicContact CZ-CD2 3.41Å; F32-L167 VanDerWaalsContact CZ-CD2 3.41Å; F32-V177 HydrophobicContact CD2-CG1 3.74Å; F32-V177 HydrophobicContact CE2-CG1 3.86Å; F32-I178 PolarHBondContact N-O 2.97Å; F32-S179 CarbonylContact O-C 3.35Å; F32-S179 WeakPolarHBondContact O-CA 3.38Å; F32-H180 PolarHBondContact O-N 3.24Å
33	E	98.4	Very high	90.2	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	115.9	175.9	-164.4	166.2	-145.2	0	0	110.1	K52 Y64 Y65 M66 M67 H180 H182	E33-K52 WeakPolarHBondContact OE1-CE 3.37Å; E33-K52 IonicContact OE1-NZ 3.53Å; E33-K52 PolarHBondContact OE1-NZ 3.29Å; E33-K52 IonicContact OE2-NZ 3.47Å; E33-K52 PolarHBondContact OE2-NZ 3.02Å; E33-Y64 HydrophobicContact CB-CE2 3.81Å; E33-Y64 WeakPolarHBondContact OE2-CE2 3.2Å; E33-Y64 PolarHBondContact OE2-OH 2.83Å; E33-Y65 PolarHBondContact N-O 2.61Å; E33-M66 CarbonylContact O-C 3.05Å; E33-M66 VanDerWaalsContact O-CA 3.24Å; E33-M66 WeakPolarHBondContact O-CA 3.33Å; E33-M67 PolarHBondContact O-N 3.29Å; E33-H180 CarbonylContact C-O 3.53Å; E33-H180 WeakPolarHBondContact CA-O 3.46Å; E33-H180 HydrophobicContact CG-CB 4.38Å; E33-H182 WeakPolarHBondContact CG-NE2 3.37Å; E33-H182 IonicContact OE1-CE1 3.44Å; E33-H182 IonicContact OE1-NE2 2.72Å; E33-H182 PolarHBondContact OE1-NE2 3.49Å; E33-H182 VanDerWaalsContact OE1-NE2 3.1Å
34	V	98.6	Very high	91.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	122.1	-168.4	-173	0	0	0	0	109.4	M67 I160 H180 F181 H182 A186	V34-M67 WeakPolarHBondContact CA-O 3.17Å; V34-M67 HydrophobicContact CG1-CB 4.37Å; V34-M67 HydrophobicContact CG2-CB 4.11Å; V34-M67 HydrophobicContact CG2-CG 4.37Å; V34-M67 HydrophobicContact CG2-SD 4.12Å; V34-I160 HydrophobicContact CG1-CD1 3.47Å; V34-I160 VanDerWaalsContact CG1-CD1 3.47Å; V34-H180 PolarHBondContact N-O 3.09Å; V34-F181 HydrophobicContact CB-CD1 3.66Å; V34-F181 HydrophobicContact CB-CE1 4Å; V34-F181 HydrophobicContact CB-CG 4.22Å; V34-F181 HydrophobicContact CG1-CD1 3.81Å; V34-F181 HydrophobicContact CG1-CE1 4.01Å; V34-F181 HydrophobicContact CG2-CD1 3.96Å; V34-F181 HydrophobicContact CG2-CE1 3.83Å; V34-F181 HydrophobicContact CG2-CG 4.49Å; V34-F181 HydrophobicContact CG2-CZ 4.27Å; V34-F181 WeakPolarHBondContact O-CA 3.43Å; V34-H182 PolarHBondContact O-N 2.85Å; V34-A186 HydrophobicContact CG1-CB 3.97Å
35	A	98.3	Very high	92	Very high	1 Å²	1	35 Å²	35	1%	0.008	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	150.3	172.2	0	0	0	0	0	111.3	E37 V38 I45 I49 M67 H182	A35-E37 PolarHBondContact O-N 3.03Å; A35-V38 HydrophobicContact CB-CG2 4.03Å; A35-V38 WeakPolarHBondContact O-CG2 3.47Å; A35-V38 PolarHBondContact O-N 2.98Å; A35-I45 HydrophobicContact CB-CG2 4.33Å; A35-I49 HydrophobicContact CB-CD1 4.1Å; A35-M67 PolarHBondContact N-O 2.76Å; A35-M67 VanDerWaalsContact N-O 3.08Å; A35-H182 HydrophobicContact CB-CB 3.89Å
36	W	97.9	Very high	92.6	Very high	32 Å²	32	33.1 Å²	33.1	12%	0.121	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-28.1	172	-172.5	-94.7	0	0	0	113	P69 F71 I121 D152 L156 Q185	W36-P69 HydrophobicContact CD2-CG 4.12Å; W36-P69 HydrophobicContact CE3-CG 4.24Å; W36-P69 HydrophobicContact CH2-CB 4.46Å; W36-P69 HydrophobicContact CZ3-CB 4.46Å; W36-P69 HydrophobicContact CZ3-CG 4.48Å; W36-P69 WeakPolarHBondContact O-CD 3.49Å; W36-P69 WeakPolarHBondContact O-CG 3.49Å; W36-F71 HydrophobicContact CZ2-CZ 4.4Å; W36-I121 HydrophobicContact CH2-CD1 3.54Å; W36-I121 HydrophobicContact CZ3-CD1 3.71Å; W36-D152 HydrophobicContact CH2-CB 3.72Å; W36-D152 HydrophobicContact CZ3-CB 4.38Å; W36-L156 HydrophobicContact CE3-CD2 3.54Å; W36-L156 HydrophobicContact CZ3-CB 4.28Å; W36-L156 HydrophobicContact CZ3-CD2 3.76Å; W36-Q185 HydrophobicContact CB-CB 3.83Å; W36-Q185 HydrophobicContact CB-CG 4.48Å; W36-Q185 HydrophobicContact CD2-CB 4.28Å; W36-Q185 HydrophobicContact CE3-CB 4.17Å; W36-Q185 HydrophobicContact CG-CB 4.15Å; W36-Q185 HydrophobicContact CG-CG 4.45Å
37	E	97.2	Very high	92.9	Very high	17 Å²	17	33.9 Å²	33.9	8%	0.079	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	4.1	-175.4	-63.2	-166.1	-138.7	0	0	114	A35 T39 N40 V42 G43 I45 Y46 I49	A35-E37 PolarHBondContact O-N 3.03Å; E37-T39 PolarHBondContact O-N 2.99Å; E37-T39 VanDerWaalsContact O-N 3.13Å; E37-N40 CarbonylContact C-O 3.58Å; E37-N40 WeakPolarHBondContact CA-O 3.41Å; E37-N40 WeakPolarHBondContact CB-O 3.32Å; E37-N40 CarbonylContact O-C 3.56Å; E37-N40 PolarHBondContact O-N 2.8Å; E37-V42 HydrophobicContact CG-CB 4.06Å; E37-V42 HydrophobicContact CG-CG2 4.36Å; E37-G43 PolarHBondContact OE1-N 3.39Å; E37-G43 VanDerWaalsContact OE2-C 3.26Å; E37-G43 WeakPolarHBondContact OE2-CA 3.37Å; E37-G43 PolarHBondContact OE2-N 3.12Å; E37-I45 HydrophobicContact CB-CB 4.34Å; E37-I45 HydrophobicContact CB-CG2 4.5Å; E37-I45 HydrophobicContact CG-CB 4.24Å; E37-I45 WeakPolarHBondContact OE1-CB 3.26Å; E37-Y46 WeakPolarHBondContact O-CD2 3.34Å; E37-Y46 VanDerWaalsContact OE2-CB 3.22Å; E37-Y46 WeakPolarHBondContact OE2-CB 3.38Å; E37-Y46 PolarHBondContact OE2-N 3.44Å; E37-I49 HydrophobicContact CB-CD1 4.4Å
38	V	97.5	Very high	93.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	118.5	172.7	175.4	0	0	0	0	108.7	A35 N40 I49 M66 M67 V116 L118	A35-V38 HydrophobicContact CB-CG2 4.03Å; A35-V38 WeakPolarHBondContact O-CG2 3.47Å; A35-V38 PolarHBondContact O-N 2.98Å; V38-N40 PolarHBondContact O-N 3.25Å; V38-N40 VanDerWaalsContact O-N 3.1Å; V38-I49 HydrophobicContact CB-CD1 4.48Å; V38-I49 HydrophobicContact CG2-CD1 3.84Å; V38-M66 HydrophobicContact CG1-CB 3.87Å; V38-M66 HydrophobicContact CG2-CB 4.15Å; V38-M66 HydrophobicContact CG2-CE 4.28Å; V38-M67 WeakPolarHBondContact CG2-O 3.42Å; V38-V116 HydrophobicContact CG1-CG1 4.13Å; V38-L118 HydrophobicContact CG1-CD2 4.07Å
39	T	95.6	Very high	93.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	10.9	-172.6	72.8	0	0	0	0	115.3	E37 N74 V79 W108 V116 L118	E37-T39 PolarHBondContact O-N 2.99Å; E37-T39 VanDerWaalsContact O-N 3.13Å; T39-N74 VanDerWaalsContact O-CB 3.31Å; T39-N74 WeakPolarHBondContact O-CB 3.48Å; T39-N74 PolarHBondContact O-ND2 3.36Å; T39-V79 HydrophobicContact CG2-CG2 3.69Å; T39-W108 HydrophobicContact CG2-CD2 4.03Å; T39-W108 HydrophobicContact CG2-CG 4.04Å; T39-V116 HydrophobicContact CG2-CG1 4.24Å; T39-L118 HydrophobicContact CG2-CD1 4.23Å; T39-L118 HydrophobicContact CG2-CD2 4.31Å
40	N	94.7	Very high	94	Very high	22 Å²	22	24.9 Å²	24.9	12%	0.118	14%	0.138	C	C	.	.			trans	-134.8	96.9	-174.4	-179.5	36.5	0	0	0	111.2	E37 V38 V42 F71 N74	E37-N40 CarbonylContact C-O 3.58Å; E37-N40 WeakPolarHBondContact CA-O 3.41Å; E37-N40 WeakPolarHBondContact CB-O 3.32Å; E37-N40 CarbonylContact O-C 3.56Å; E37-N40 PolarHBondContact O-N 2.8Å; V38-N40 PolarHBondContact O-N 3.25Å; V38-N40 VanDerWaalsContact O-N 3.1Å; N40-V42 WeakPolarHBondContact ND2-CG2 3.33Å; N40-V42 PolarHBondContact O-N 3.42Å; N40-F71 HydrophobicContact CB-CD2 4.02Å; N40-F71 HydrophobicContact CB-CE2 3.95Å; N40-F71 VanDerWaalsContact CG-CE2 3.48Å; N40-F71 VanDerWaalsContact ND2-CE2 3.32Å; N40-F71 WeakPolarHBondContact ND2-CE2 3.07Å; N40-N74 PolarHBondContact OD1-ND2 3.31Å
41	K	90.3	Very high	93.8	Very high	149 Å²	149	25.5 Å²	25.5	65%	0.648	14%	0.142	S	C	*	.			trans	-75.8	97.7	-176.5	-171.3	174.5	-177.9	176	0	111.3	Y46	K41-Y46 VanDerWaalsContact CA-CD2 3.46Å; K41-Y46 HydrophobicContact CB-CD1 4.08Å; K41-Y46 HydrophobicContact CB-CD2 3.65Å; K41-Y46 HydrophobicContact CB-CE1 4.24Å; K41-Y46 HydrophobicContact CB-CE2 3.81Å; K41-Y46 HydrophobicContact CB-CG 3.79Å; K41-Y46 HydrophobicContact CD-CD1 4Å; K41-Y46 HydrophobicContact CD-CE1 4.02Å; K41-Y46 HydrophobicContact CG-CD1 3.8Å; K41-Y46 HydrophobicContact CG-CD2 4.24Å; K41-Y46 HydrophobicContact CG-CE1 4.2Å; K41-Y46 HydrophobicContact CG-CG 3.83Å
42	V	86	Confident	93.8	Very high	96 Å²	96	25.6 Å²	25.6	58%	0.582	14%	0.142	S	C	*	.	S	Bend	trans	-106.5	-38.5	175.1	-177	0	0	0	0	111.2	E37 N40	E37-V42 HydrophobicContact CG-CB 4.06Å; E37-V42 HydrophobicContact CG-CG2 4.36Å; N40-V42 WeakPolarHBondContact ND2-CG2 3.33Å; N40-V42 PolarHBondContact O-N 3.42Å
43	G	83.7	Confident	93.6	Very high	25 Å²	25	25.6 Å²	25.6	26%	0.258	14%	0.142	S	C	.	.	S	Bend	trans	-156.7	-149	-172.1	0	0	0	0	0	113.6	E37 I45	E37-G43 PolarHBondContact OE1-N 3.39Å; E37-G43 VanDerWaalsContact OE2-C 3.26Å; E37-G43 WeakPolarHBondContact OE2-CA 3.37Å; E37-G43 PolarHBondContact OE2-N 3.12Å; G43-I45 VanDerWaalsContact C-N 3.35Å
44	G	85.2	Confident	93.4	Very high	31 Å²	31	28.5 Å²	28.5	32%	0.32	16%	0.155	S	C	.	.	H	α-helix	trans	-75.4	-22.8	-175.9	0	0	0	0	0	113.5	Y46 T47 V48	G44-Y46 VanDerWaalsContact C-N 3.35Å; G44-Y46 PolarHBondContact O-N 3.3Å; G44-T47 WeakPolarHBondContact O-CB 3.42Å; G44-T47 PolarHBondContact O-N 3.08Å; G44-T47 VanDerWaalsContact O-N 3.08Å; G44-V48 PolarHBondContact O-N 3.32Å; G44-V48 VanDerWaalsContact O-N 3.16Å
45	I	92.8	Very high	93.1	Very high	21 Å²	21	30 Å²	30	11%	0.108	17%	0.165	C	C	.	.	H	α-helix	trans	-69.3	-37.8	-175.4	-56.8	165.3	0	0	0	110	A35 E37 G43 T47 V48 I49 H182 E183 H207	A35-I45 HydrophobicContact CB-CG2 4.33Å; E37-I45 HydrophobicContact CB-CB 4.34Å; E37-I45 HydrophobicContact CB-CG2 4.5Å; E37-I45 HydrophobicContact CG-CB 4.24Å; E37-I45 WeakPolarHBondContact OE1-CB 3.26Å; G43-I45 VanDerWaalsContact C-N 3.35Å; I45-T47 PolarHBondContact O-N 3.06Å; I45-V48 WeakPolarHBondContact O-CB 3.35Å; I45-V48 PolarHBondContact O-N 2.98Å; I45-V48 VanDerWaalsContact O-N 3.09Å; I45-I49 HydrophobicContact CG2-CG2 4.13Å; I45-I49 WeakPolarHBondContact O-CG1 3.28Å; I45-I49 PolarHBondContact O-N 3.33Å; I45-H182 HydrophobicContact CG2-CB 4.28Å; I45-E183 HydrophobicContact CD1-CB 4.06Å; I45-E183 HydrophobicContact CD1-CG 3.25Å; I45-E183 HydrophobicContact CG1-CG 4.5Å; I45-H207 HydrophobicContact CG1-CB 4.38Å
46	Y	93.4	Very high	92.9	Very high	20 Å²	20	30.1 Å²	30.1	8%	0.078	17%	0.165	C	C	.	.	H	α-helix	trans	-48.4	-46.6	169.3	179.8	-87.2	0	0	0	111.2	E37 K41 G44 I49 Q50 Q78 W108	E37-Y46 WeakPolarHBondContact O-CD2 3.34Å; E37-Y46 VanDerWaalsContact OE2-CB 3.22Å; E37-Y46 WeakPolarHBondContact OE2-CB 3.38Å; E37-Y46 PolarHBondContact OE2-N 3.44Å; K41-Y46 VanDerWaalsContact CA-CD2 3.46Å; K41-Y46 HydrophobicContact CB-CD1 4.08Å; K41-Y46 HydrophobicContact CB-CD2 3.65Å; K41-Y46 HydrophobicContact CB-CE1 4.24Å; K41-Y46 HydrophobicContact CB-CE2 3.81Å; K41-Y46 HydrophobicContact CB-CG 3.79Å; K41-Y46 HydrophobicContact CD-CD1 4Å; K41-Y46 HydrophobicContact CD-CE1 4.02Å; K41-Y46 HydrophobicContact CG-CD1 3.8Å; K41-Y46 HydrophobicContact CG-CD2 4.24Å; K41-Y46 HydrophobicContact CG-CE1 4.2Å; K41-Y46 HydrophobicContact CG-CG 3.83Å; G44-Y46 VanDerWaalsContact C-N 3.35Å; G44-Y46 PolarHBondContact O-N 3.3Å; Y46-I49 WeakPolarHBondContact O-CG1 3.33Å; Y46-Q50 HydrophobicContact CE1-CB 4.43Å; Y46-Q50 WeakPolarHBondContact O-CB 3.38Å; Y46-Q50 PolarHBondContact O-N 3.06Å; Y46-Q78 PolarHBondContact OH-OE1 3.03Å; Y46-W108 HydrophobicContact CD2-CH2 4.24Å; Y46-W108 HydrophobicContact CD2-CZ2 4.12Å; Y46-W108 HydrophobicContact CE2-CH2 4.01Å; Y46-W108 AromaticContact CE2-CZ2 3.43Å; Y46-W108 HydrophobicContact CE2-CZ2 3.43Å; Y46-W108 VanDerWaalsContact CE2-CZ2 3.43Å; Y46-W108 AromaticContact CZ-CZ2 3.68Å
47	T	90.8	Very high	92.8	Very high	43 Å²	43	29.9 Å²	29.9	26%	0.264	17%	0.167	S	C	.	.	H	α-helix	trans	-67.8	-39	-178.1	-51.7	0	0	0	0	111.5	G44 I45 S51	G44-T47 WeakPolarHBondContact O-CB 3.42Å; G44-T47 PolarHBondContact O-N 3.08Å; G44-T47 VanDerWaalsContact O-N 3.08Å; I45-T47 PolarHBondContact O-N 3.06Å; T47-S51 WeakPolarHBondContact O-CB 3.39Å; T47-S51 PolarHBondContact O-N 3.22Å; T47-S51 PolarHBondContact O-OG 3.49Å
48	V	93.6	Very high	92.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-58.9	-59.4	174.7	178.7	0	0	0	0	110.8	G44 I45 Q50 S51 K52 N282 Y516 W600	G44-V48 PolarHBondContact O-N 3.32Å; G44-V48 VanDerWaalsContact O-N 3.16Å; I45-V48 WeakPolarHBondContact O-CB 3.35Å; I45-V48 PolarHBondContact O-N 2.98Å; I45-V48 VanDerWaalsContact O-N 3.09Å; V48-Q50 VanDerWaalsContact C-N 3.31Å; V48-Q50 PolarHBondContact O-N 2.97Å; V48-S51 PolarHBondContact O-N 3.03Å; V48-S51 PolarHBondContact O-OG 2.92Å; V48-K52 WeakPolarHBondContact O-CB 3.49Å; V48-K52 PolarHBondContact O-N 2.8Å; V48-N282 HydrophobicContact CG2-CB 4.28Å; V48-N282 WeakPolarHBondContact CG2-OD1 3.36Å; V48-Y516 HydrophobicContact CG2-CE1 4.36Å; V48-Y516 WeakPolarHBondContact CG2-OH 3.37Å; V48-W600 HydrophobicContact CG1-CH2 3.92Å; V48-W600 HydrophobicContact CG1-CZ2 3.9Å
49	I	94.5	Very high	92.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-70	-34.6	-170.3	68.8	-173.3	0	0	0	110.5	A35 E37 V38 I45 Y46 A53 M66 W108	A35-I49 HydrophobicContact CB-CD1 4.1Å; E37-I49 HydrophobicContact CB-CD1 4.4Å; V38-I49 HydrophobicContact CB-CD1 4.48Å; V38-I49 HydrophobicContact CG2-CD1 3.84Å; I45-I49 HydrophobicContact CG2-CG2 4.13Å; I45-I49 WeakPolarHBondContact O-CG1 3.28Å; I45-I49 PolarHBondContact O-N 3.33Å; Y46-I49 WeakPolarHBondContact O-CG1 3.33Å; I49-A53 WeakPolarHBondContact O-CB 3.43Å; I49-A53 PolarHBondContact O-N 3.25Å; I49-A53 VanDerWaalsContact O-N 3.11Å; I49-M66 HydrophobicContact CB-CE 3.64Å; I49-M66 HydrophobicContact CD1-CE 4.19Å; I49-M66 HydrophobicContact CG1-CE 3.96Å; I49-W108 HydrophobicContact CD1-CH2 4.49Å; I49-W108 HydrophobicContact CD1-CZ3 4.47Å; I49-W108 HydrophobicContact CG1-CH2 4.16Å; I49-W108 HydrophobicContact CG1-CZ3 4.16Å
50	Q	94.5	Very high	92.1	Very high	63 Å²	63	37.5 Å²	37.5	29%	0.294	21%	0.206	S	C	.	.	H	α-helix	trans	-64.1	-51.3	174.2	-178.3	-172	32	0	0	111.7	Y46 V48 A53 W108 I110	Y46-Q50 HydrophobicContact CE1-CB 4.43Å; Y46-Q50 WeakPolarHBondContact O-CB 3.38Å; Y46-Q50 PolarHBondContact O-N 3.06Å; V48-Q50 VanDerWaalsContact C-N 3.31Å; V48-Q50 PolarHBondContact O-N 2.97Å; Q50-A53 WeakPolarHBondContact O-CB 3.33Å; Q50-A53 PolarHBondContact O-N 3.44Å; Q50-W108 HydrophobicContact CB-CH2 3.91Å; Q50-W108 HydrophobicContact CB-CZ2 4.35Å; Q50-W108 HydrophobicContact CG-CH2 4.45Å; Q50-W108 HydrophobicContact CG-CZ2 4.46Å; Q50-I110 HydrophobicContact CB-CD1 4.34Å; Q50-I110 HydrophobicContact CG-CB 4.26Å; Q50-I110 HydrophobicContact CG-CD1 3.88Å; Q50-I110 HydrophobicContact CG-CG2 3.97Å
51	S	92.2	Very high	92	Very high	15 Å²	15	38.2 Å²	38.2	11%	0.105	22%	0.219	C	C	.	.	H	α-helix	trans	-70.6	-37	-176.7	57.4	0	0	0	0	112.1	T47 V48 A53 N285 W600	T47-S51 WeakPolarHBondContact O-CB 3.39Å; T47-S51 PolarHBondContact O-N 3.22Å; T47-S51 PolarHBondContact O-OG 3.49Å; V48-S51 PolarHBondContact O-N 3.03Å; V48-S51 PolarHBondContact O-OG 2.92Å; S51-A53 VanDerWaalsContact C-N 3.28Å; S51-A53 PolarHBondContact O-N 2.94Å; S51-N285 PolarHBondContact O-ND2 3.05Å; S51-N285 PolarHBondContact O-OD1 2.68Å; S51-W600 PolarHBondContact OG-NE1 3.15Å
52	K	95.4	Very high	92.1	Very high	1 Å²	1	36.6 Å²	36.6	0%	0.004	21%	0.213	C	C	.	.	H	α-helix	trans	-70.5	-20.3	176.8	-165.8	-176.6	57.9	54.5	0	113.6	E33 V48 K54 V55 T56 W600 Y607	E33-K52 WeakPolarHBondContact OE1-CE 3.37Å; E33-K52 IonicContact OE1-NZ 3.53Å; E33-K52 PolarHBondContact OE1-NZ 3.29Å; E33-K52 IonicContact OE2-NZ 3.47Å; E33-K52 PolarHBondContact OE2-NZ 3.02Å; V48-K52 WeakPolarHBondContact O-CB 3.49Å; V48-K52 PolarHBondContact O-N 2.8Å; K52-K54 VanDerWaalsContact C-N 3.27Å; K52-K54 PolarHBondContact O-N 3.1Å; K52-V55 HydrophobicContact CG-CG1 4.03Å; K52-V55 VanDerWaalsContact O-CG1 3.25Å; K52-V55 WeakPolarHBondContact O-CG1 3.42Å; K52-V55 PolarHBondContact O-N 3.45Å; K52-T56 PolarHBondContact NZ-OG1 2.8Å; K52-T56 VanDerWaalsContact NZ-OG1 3.16Å; K52-T56 PolarHBondContact O-N 2.96Å; K52-T56 VanDerWaalsContact O-N 3.1Å; K52-T56 PolarHBondContact O-OG1 3.48Å; K52-W600 HydrophobicContact CB-CD2 3.92Å; K52-W600 HydrophobicContact CB-CE3 4.25Å; K52-W600 HydrophobicContact CB-CH2 4.11Å; K52-W600 HydrophobicContact CB-CZ2 3.76Å; K52-W600 HydrophobicContact CB-CZ3 4.35Å; K52-W600 HydrophobicContact CD-CE3 4.14Å; K52-W600 HydrophobicContact CD-CH2 3.86Å; K52-W600 HydrophobicContact CD-CZ2 4.39Å; K52-W600 HydrophobicContact CD-CZ3 3.72Å; K52-W600 HydrophobicContact CG-CD2 3.91Å; K52-W600 HydrophobicContact CG-CE3 3.77Å; K52-W600 HydrophobicContact CG-CH2 4.08Å; K52-W600 HydrophobicContact CG-CZ2 4.2Å; K52-W600 HydrophobicContact CG-CZ3 3.87Å; K52-Y607 HydrophobicContact CD-CD1 4Å; K52-Y607 HydrophobicContact CD-CD2 4.01Å; K52-Y607 HydrophobicContact CD-CE1 3.82Å; K52-Y607 HydrophobicContact CD-CE2 3.85Å; K52-Y607 HydrophobicContact CD-CG 4.08Å
53	A	95.2	Very high	92.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-53.8	-44.6	-175.4	0	0	0	0	0	111.9	I49 Q50 S51 V55 T56 V57 I110 P114	I49-A53 WeakPolarHBondContact O-CB 3.43Å; I49-A53 PolarHBondContact O-N 3.25Å; I49-A53 VanDerWaalsContact O-N 3.11Å; Q50-A53 WeakPolarHBondContact O-CB 3.33Å; Q50-A53 PolarHBondContact O-N 3.44Å; S51-A53 VanDerWaalsContact C-N 3.28Å; S51-A53 PolarHBondContact O-N 2.94Å; A53-V55 PolarHBondContact O-N 2.72Å; A53-T56 PolarHBondContact O-N 3.14Å; A53-V57 VanDerWaalsContact O-CG2 3.31Å; A53-V57 WeakPolarHBondContact O-CG2 3.44Å; A53-V57 PolarHBondContact O-N 3.23Å; A53-I110 HydrophobicContact CB-CD1 3.67Å; A53-P114 HydrophobicContact CB-CG 4.03Å
54	K	93.5	Very high	93.1	Very high	62 Å²	62	32.6 Å²	32.6	27%	0.27	18%	0.183	S	C	.	.	H	α-helix	trans	-57.7	-53.3	-178.9	179.6	57.3	166.4	81.6	0	112.9	K52 T56 V57 D58 E111	K52-K54 VanDerWaalsContact C-N 3.27Å; K52-K54 PolarHBondContact O-N 3.1Å; K54-T56 PolarHBondContact O-N 3.26Å; K54-V57 PolarHBondContact O-N 2.94Å; K54-D58 IonicContact NZ-OD1 2.78Å; K54-D58 PolarHBondContact NZ-OD1 2.85Å; K54-D58 IonicContact NZ-OD2 2.69Å; K54-D58 PolarHBondContact NZ-OD2 3.1Å; K54-D58 PolarHBondContact O-N 3.1Å; K54-E111 HydrophobicContact CB-CB 4.46Å; K54-E111 HydrophobicContact CB-CG 4.1Å; K54-E111 HydrophobicContact CD-CG 3.97Å; K54-E111 HydrophobicContact CG-CG 3.99Å
55	V	92.4	Very high	93.8	Very high	33 Å²	33	31.3 Å²	31.3	20%	0.2	17%	0.168	C	C	.	.	H	α-helix	trans	-64.7	-33.2	-179.9	70.9	0	0	0	0	111.6	K52 A53 E59 W600	K52-V55 HydrophobicContact CG-CG1 4.03Å; K52-V55 VanDerWaalsContact O-CG1 3.25Å; K52-V55 WeakPolarHBondContact O-CG1 3.42Å; K52-V55 PolarHBondContact O-N 3.45Å; A53-V55 PolarHBondContact O-N 2.72Å; V55-E59 PolarHBondContact O-N 3.44Å; V55-W600 HydrophobicContact CB-CB 4.31Å; V55-W600 HydrophobicContact CG1-CB 3.83Å; V55-W600 HydrophobicContact CG1-CG 4.4Å
56	T	94.4	Very high	94	Very high	2 Å²	2	30.3 Å²	30.3	1%	0.012	16%	0.163	C	C	.	.	H	α-helix	trans	-72.5	-39.5	178.9	-51	0	0	0	0	110.9	L31 K52 A53 K54 E59 W60 Y64	L31-T56 HydrophobicContact CD2-CG2 3.82Å; K52-T56 PolarHBondContact NZ-OG1 2.8Å; K52-T56 VanDerWaalsContact NZ-OG1 3.16Å; K52-T56 PolarHBondContact O-N 2.96Å; K52-T56 VanDerWaalsContact O-N 3.1Å; K52-T56 PolarHBondContact O-OG1 3.48Å; A53-T56 PolarHBondContact O-N 3.14Å; K54-T56 PolarHBondContact O-N 3.26Å; T56-E59 PolarHBondContact O-N 3.12Å; T56-W60 HydrophobicContact CG2-CG 4.41Å; T56-W60 VanDerWaalsContact O-CB 3.3Å; T56-W60 WeakPolarHBondContact O-CB 3.46Å; T56-W60 PolarHBondContact O-N 2.86Å; T56-Y64 HydrophobicContact CG2-CD1 4.07Å; T56-Y64 HydrophobicContact CG2-CD2 3.7Å; T56-Y64 HydrophobicContact CG2-CE1 3.99Å; T56-Y64 HydrophobicContact CG2-CE2 3.61Å; T56-Y64 HydrophobicContact CG2-CG 3.91Å
57	V	95.1	Very high	94.3	Very high	27 Å²	27	29.3 Å²	29.3	16%	0.164	16%	0.159	C	C	.	.	H	α-helix	trans	-67.2	-38.1	174.2	173.2	0	0	0	0	111.3	A53 K54 E59 W60 G61 Y64 G112 P114	A53-V57 VanDerWaalsContact O-CG2 3.31Å; A53-V57 WeakPolarHBondContact O-CG2 3.44Å; A53-V57 PolarHBondContact O-N 3.23Å; K54-V57 PolarHBondContact O-N 2.94Å; V57-E59 PolarHBondContact O-N 3.03Å; V57-W60 PolarHBondContact O-N 2.78Å; V57-G61 VanDerWaalsContact O-CA 3.31Å; V57-G61 WeakPolarHBondContact O-CA 3.24Å; V57-G61 PolarHBondContact O-N 2.89Å; V57-Y64 HydrophobicContact CG2-CD1 3.69Å; V57-Y64 HydrophobicContact CG2-CE1 4.13Å; V57-G112 WeakPolarHBondContact CG1-O 3.45Å; V57-P114 HydrophobicContact CG2-CB 3.84Å
58	D	91.9	Very high	94.6	Very high	106 Å²	106	27.3 Å²	27.3	57%	0.567	15%	0.147	S	C	*	.	H	α-helix	trans	-60.6	-33.7	175.5	-69	-20.1	0	0	0	111.9	K54	K54-D58 IonicContact NZ-OD1 2.78Å; K54-D58 PolarHBondContact NZ-OD1 2.85Å; K54-D58 IonicContact NZ-OD2 2.69Å; K54-D58 PolarHBondContact NZ-OD2 3.1Å; K54-D58 PolarHBondContact O-N 3.1Å
59	E	90.9	Very high	94.8	Very high	67 Å²	67	27.3 Å²	27.3	31%	0.313	15%	0.147	S	C	.	.	H	α-helix	trans	-83	-42.7	176.8	-179.2	-169.5	-161.7	0	0	112.5	V55 T56 V57 T608 R611	V55-E59 PolarHBondContact O-N 3.44Å; T56-E59 PolarHBondContact O-N 3.12Å; V57-E59 PolarHBondContact O-N 3.03Å; E59-T608 WeakPolarHBondContact OE1-CG2 3.26Å; E59-T608 PolarHBondContact OE1-OG1 3.23Å; E59-R611 IonicContact OE2-NH1 3.47Å; E59-R611 PolarHBondContact OE2-NH1 2.94Å; E59-R611 VanDerWaalsContact OE2-NH1 3.16Å
60	W	93.4	Very high	95	Very high	4 Å²	4	29.2 Å²	29.2	2%	0.015	15%	0.154	C	C	.	.	H	α-helix	trans	-103.7	-14.8	-168	-73.1	75.9	0	0	0	115.5	L24 V26 L29 L31 T56 V57 E62 N63 I178	L24-W60 HydrophobicContact CD1-CZ2 4.04Å; V26-W60 HydrophobicContact CG1-CB 4.31Å; V26-W60 HydrophobicContact CG1-CD2 4.17Å; V26-W60 HydrophobicContact CG1-CE3 3.96Å; V26-W60 HydrophobicContact CG1-CG 4.37Å; V26-W60 HydrophobicContact CG2-CD2 4.49Å; L29-W60 HydrophobicContact CB-CH2 3.98Å; L29-W60 HydrophobicContact CB-CZ3 3.61Å; L29-W60 HydrophobicContact CD1-CH2 4.03Å; L29-W60 HydrophobicContact CD1-CZ3 4.47Å; L31-W60 HydrophobicContact CB-CD2 3.74Å; L31-W60 HydrophobicContact CB-CE3 3.41Å; L31-W60 VanDerWaalsContact CB-CE3 3.41Å; L31-W60 HydrophobicContact CB-CH2 3.94Å; L31-W60 HydrophobicContact CB-CZ2 4.23Å; L31-W60 HydrophobicContact CB-CZ3 3.52Å; L31-W60 HydrophobicContact CD2-CD2 3.77Å; L31-W60 HydrophobicContact CD2-CE3 4.35Å; L31-W60 HydrophobicContact CD2-CG 4.03Å; L31-W60 HydrophobicContact CD2-CZ2 4.13Å; L31-W60 HydrophobicContact CG-CD2 4.41Å; T56-W60 HydrophobicContact CG2-CG 4.41Å; T56-W60 VanDerWaalsContact O-CB 3.3Å; T56-W60 WeakPolarHBondContact O-CB 3.46Å; T56-W60 PolarHBondContact O-N 2.86Å; V57-W60 PolarHBondContact O-N 2.78Å; W60-E62 PolarHBondContact O-N 3.32Å; W60-N63 HydrophobicContact CE3-CB 4.35Å; W60-N63 WeakPolarHBondContact O-CB 3.3Å; W60-N63 PolarHBondContact O-N 3.47Å; W60-I178 HydrophobicContact CH2-CD1 3.72Å; W60-I178 HydrophobicContact CZ2-CD1 4.37Å
61	G	92.9	Very high	95.1	Very high	38 Å²	38	29.8 Å²	29.8	39%	0.392	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	52.9	-127.9	-176.5	0	0	0	0	0	112.9	V57 N63	V57-G61 VanDerWaalsContact O-CA 3.31Å; V57-G61 WeakPolarHBondContact O-CA 3.24Å; V57-G61 PolarHBondContact O-N 2.89Å; G61-N63 VanDerWaalsContact C-N 3.26Å; G61-N63 PolarHBondContact O-N 2.83Å
62	E	92.1	Very high	95.2	Very high	114 Å²	114	34.2 Å²	34.2	53%	0.533	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-79.8	-3	-179	-58.8	-166.8	156.8	0	0	114	W60 Y64 Y65 Y115	W60-E62 PolarHBondContact O-N 3.32Å; E62-Y64 VanDerWaalsContact C-N 3.28Å; E62-Y65 WeakPolarHBondContact O-CE2 3.49Å; E62-Y65 VanDerWaalsContact O-CZ 3.28Å; E62-Y65 PolarHBondContact O-OH 3.27Å; E62-Y115 HydrophobicContact CB-CE2 4Å; E62-Y115 HydrophobicContact CG-CE2 4.13Å
63	N	94.9	Very high	95.2	Very high	37 Å²	37	40.9 Å²	40.9	20%	0.198	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-86.9	2.2	177.2	-73	-15.5	0	0	0	113.2	V26 L29 L31 W60 G61	V26-N63 PolarHBondContact O-ND2 3.33Å; L29-N63 VanDerWaalsContact O-CB 3.32Å; L29-N63 WeakPolarHBondContact O-CB 3.34Å; L29-N63 VanDerWaalsContact O-CG 3.32Å; L29-N63 PolarHBondContact O-ND2 2.75Å; L31-N63 PolarHBondContact N-O 3.42Å; W60-N63 HydrophobicContact CE3-CB 4.35Å; W60-N63 WeakPolarHBondContact O-CB 3.3Å; W60-N63 PolarHBondContact O-N 3.47Å; G61-N63 VanDerWaalsContact C-N 3.26Å; G61-N63 PolarHBondContact O-N 2.83Å
64	Y	97.1	Very high	95.1	Very high	1 Å²	1	42.1 Å²	42.1	0%	0.004	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	124.3	178.2	175.4	-123.6	0	0	0	112.8	L31 E33 T56 V57 E62 M66 P114	L31-Y64 HydrophobicContact CB-CD2 4.3Å; L31-Y64 HydrophobicContact CD2-CD2 3.65Å; L31-Y64 HydrophobicContact CD2-CE2 4.03Å; L31-Y64 HydrophobicContact CG-CD2 3.86Å; L31-Y64 HydrophobicContact CG-CE2 4.33Å; L31-Y64 WeakPolarHBondContact O-CA 3.4Å; E33-Y64 HydrophobicContact CB-CE2 3.81Å; E33-Y64 WeakPolarHBondContact OE2-CE2 3.2Å; E33-Y64 PolarHBondContact OE2-OH 2.83Å; T56-Y64 HydrophobicContact CG2-CD1 4.07Å; T56-Y64 HydrophobicContact CG2-CD2 3.7Å; T56-Y64 HydrophobicContact CG2-CE1 3.99Å; T56-Y64 HydrophobicContact CG2-CE2 3.61Å; T56-Y64 HydrophobicContact CG2-CG 3.91Å; V57-Y64 HydrophobicContact CG2-CD1 3.69Å; V57-Y64 HydrophobicContact CG2-CE1 4.13Å; E62-Y64 VanDerWaalsContact C-N 3.28Å; Y64-M66 HydrophobicContact CE1-CG 3.91Å; Y64-M66 HydrophobicContact CE1-SD 4.18Å; Y64-M66 HydrophobicContact CE2-CG 4.2Å; Y64-M66 WeakPolarHBondContact OH-CG 3.43Å; Y64-P114 HydrophobicContact CD1-CB 3.83Å; Y64-P114 HydrophobicContact CE1-CB 3.66Å
65	Y	98.1	Very high	95.2	Very high	3 Å²	3	40.7 Å²	40.7	1%	0.012	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	137.5	179.5	-57.4	-92.7	0	0	0	109.5	M30 L31 F32 E33 E62 I89 F105 Y115 I117	M30-Y65 HydrophobicContact CE-CD2 4.34Å; M30-Y65 HydrophobicContact CE-CE2 3.64Å; L31-Y65 PolarHBondContact O-N 2.79Å; F32-Y65 CarbonylContact C-O 3.55Å; F32-Y65 VanDerWaalsContact CA-O 3.26Å; F32-Y65 WeakPolarHBondContact CA-O 3.38Å; F32-Y65 HydrophobicContact CD1-CD2 4.41Å; F32-Y65 HydrophobicContact CD1-CG 4.24Å; F32-Y65 AromaticContact CE1-CD2 3.96Å; F32-Y65 HydrophobicContact CE1-CD2 3.96Å; F32-Y65 AromaticContact CE1-CG 3.89Å; F32-Y65 HydrophobicContact CE1-CG 3.89Å; F32-Y65 HydrophobicContact CZ-CD2 4.1Å; F32-Y65 HydrophobicContact CZ-CG 4.48Å; E33-Y65 PolarHBondContact N-O 2.61Å; E62-Y65 WeakPolarHBondContact O-CE2 3.49Å; E62-Y65 VanDerWaalsContact O-CZ 3.28Å; E62-Y65 PolarHBondContact O-OH 3.27Å; Y65-I89 HydrophobicContact CE1-CD1 4.31Å; Y65-I89 HydrophobicContact CE1-CG1 4.16Å; Y65-F105 HydrophobicContact CD1-CE2 4.06Å; Y65-F105 HydrophobicContact CE1-CE2 4.01Å; Y65-F105 HydrophobicContact CE1-CZ 4.21Å; Y65-Y115 HydrophobicContact CD1-CD2 4.48Å; Y65-Y115 HydrophobicContact CD1-CG 4.36Å; Y65-Y115 HydrophobicContact CE1-CD2 4.03Å; Y65-Y115 HydrophobicContact CE1-CG 4.19Å; Y65-I117 HydrophobicContact CD1-CD1 4.23Å
66	M	98.6	Very high	95.4	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	143.3	170.1	-50.8	-179.5	78.7	0	0	109.8	E33 V38 I49 Y64 W108 P114 Y115 V116 I117	E33-M66 CarbonylContact O-C 3.05Å; E33-M66 VanDerWaalsContact O-CA 3.24Å; E33-M66 WeakPolarHBondContact O-CA 3.33Å; V38-M66 HydrophobicContact CG1-CB 3.87Å; V38-M66 HydrophobicContact CG2-CB 4.15Å; V38-M66 HydrophobicContact CG2-CE 4.28Å; I49-M66 HydrophobicContact CB-CE 3.64Å; I49-M66 HydrophobicContact CD1-CE 4.19Å; I49-M66 HydrophobicContact CG1-CE 3.96Å; Y64-M66 HydrophobicContact CE1-CG 3.91Å; Y64-M66 HydrophobicContact CE1-SD 4.18Å; Y64-M66 HydrophobicContact CE2-CG 4.2Å; Y64-M66 WeakPolarHBondContact OH-CG 3.43Å; M66-W108 HydrophobicContact CE-CE3 4.3Å; M66-W108 HydrophobicContact CE-CZ3 3.83Å; M66-W108 HydrophobicContact SD-CE3 3.76Å; M66-W108 HydrophobicContact SD-CZ3 3.92Å; M66-P114 HydrophobicContact CG-CB 4.36Å; M66-P114 HydrophobicContact SD-CB 4.07Å; M66-P114 HydrophobicContact SD-CG 3.7Å; M66-Y115 PolarHBondContact N-O 3.18Å; M66-V116 HydrophobicContact CB-CG1 4.23Å; M66-V116 CarbonylContact O-C 3.55Å; M66-V116 VanDerWaalsContact O-CA 3.29Å; M66-V116 WeakPolarHBondContact O-CA 3.43Å; M66-I117 PolarHBondContact O-N 3.03Å
67	M	98.6	Very high	95.4	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	137.5	-176.9	-50.7	-176	99	0	0	111.7	F32 E33 V34 A35 V38 I117 F119 I160 F163 F164	F32-M67 HydrophobicContact CB-SD 4.12Å; F32-M67 HydrophobicContact CD1-CE 4.23Å; F32-M67 HydrophobicContact CD1-CG 4.14Å; F32-M67 HydrophobicContact CD1-SD 3.68Å; F32-M67 HydrophobicContact CG-SD 4.26Å; E33-M67 PolarHBondContact O-N 3.29Å; V34-M67 WeakPolarHBondContact CA-O 3.17Å; V34-M67 HydrophobicContact CG1-CB 4.37Å; V34-M67 HydrophobicContact CG2-CB 4.11Å; V34-M67 HydrophobicContact CG2-CG 4.37Å; V34-M67 HydrophobicContact CG2-SD 4.12Å; A35-M67 PolarHBondContact N-O 2.76Å; A35-M67 VanDerWaalsContact N-O 3.08Å; V38-M67 WeakPolarHBondContact CG2-O 3.42Å; M67-I117 VanDerWaalsContact CA-O 3.32Å; M67-I117 WeakPolarHBondContact CA-O 3.41Å; M67-I117 HydrophobicContact CE-CB 4.14Å; M67-I117 HydrophobicContact CE-CD1 3.9Å; M67-I117 HydrophobicContact CE-CG2 4.08Å; M67-I117 HydrophobicContact CG-CB 4.34Å; M67-F119 HydrophobicContact CB-CE2 4.27Å; M67-F119 HydrophobicContact CE-CE2 3.62Å; M67-F119 HydrophobicContact CE-CZ 3.51Å; M67-I160 HydrophobicContact SD-CG2 4.49Å; M67-F163 HydrophobicContact CE-CD1 3.25Å; M67-F163 HydrophobicContact CE-CE1 3.4Å; M67-F163 HydrophobicContact CE-CG 3.89Å; M67-F163 HydrophobicContact CE-CZ 4.14Å; M67-F164 HydrophobicContact SD-CE1 4.27Å; M67-F164 HydrophobicContact SD-CE2 4.21Å; M67-F164 HydrophobicContact SD-CZ 3.68Å
68	G	98.1	Very high	95.4	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.7	-176.1	179.2	0	0	0	0	0	114.4	I117 L118 F119	G68-I117 PolarHBondContact N-O 3.04Å; G68-L118 VanDerWaalsContact O-CA 3.32Å; G68-L118 WeakPolarHBondContact O-CA 3.46Å; G68-F119 PolarHBondContact O-N 3.35Å
69	P	97.8	Very high	95.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	142.9	176.1	30.2	-36	0	0	0	111.9	W36 F71 I121	W36-P69 HydrophobicContact CD2-CG 4.12Å; W36-P69 HydrophobicContact CE3-CG 4.24Å; W36-P69 HydrophobicContact CH2-CB 4.46Å; W36-P69 HydrophobicContact CZ3-CB 4.46Å; W36-P69 HydrophobicContact CZ3-CG 4.48Å; W36-P69 WeakPolarHBondContact O-CD 3.49Å; W36-P69 WeakPolarHBondContact O-CG 3.49Å; P69-F71 HydrophobicContact CB-CE2 3.83Å; P69-F71 HydrophobicContact CB-CZ 4.21Å; P69-F71 HydrophobicContact CG-CD2 4.39Å; P69-F71 HydrophobicContact CG-CE2 3.6Å; P69-F71 HydrophobicContact CG-CZ 4.27Å; P69-I121 HydrophobicContact CB-CD1 3.73Å; P69-I121 HydrophobicContact CB-CG1 4.48Å
70	Y	97.8	Very high	95.9	Very high	40 Å²	40	48.2 Å²	48.2	16%	0.157	24%	0.238	C	C	.	.			trans	-83	130.7	172.3	173.3	-100.6	0	0	0	111.3	E72 F75 H104 L118 F119 D120	Y70-E72 HydrophobicContact CE1-CB 4.16Å; Y70-F75 HydrophobicContact CD2-CB 4.13Å; Y70-F75 HydrophobicContact CD2-CD2 4.25Å; Y70-F75 HydrophobicContact CD2-CG 4.28Å; Y70-F75 HydrophobicContact CE2-CB 3.54Å; Y70-F75 HydrophobicContact CE2-CD1 4.13Å; Y70-F75 AromaticContact CE2-CD2 3.98Å; Y70-F75 HydrophobicContact CE2-CD2 3.98Å; Y70-F75 AromaticContact CE2-CG 3.63Å; Y70-F75 HydrophobicContact CE2-CG 3.63Å; Y70-H104 AromaticContact CD1-CD2 4Å; Y70-H104 HydrophobicContact CD2-CB 4.1Å; Y70-H104 AromaticContact CD2-CD2 3.38Å; Y70-H104 WeakPolarHBondContact CD2-CD2 3.16Å; Y70-H104 AromaticContact CD2-CG 3.75Å; Y70-H104 AromaticContact CE1-NE2 3.85Å; Y70-H104 HydrophobicContact CE2-CB 4.32Å; Y70-H104 AromaticContact CE2-CD2 3.57Å; Y70-H104 AromaticContact CE2-CG 3.73Å; Y70-H104 AromaticContact CE2-NE2 3.84Å; Y70-H104 AromaticContact CG-CD2 3.6Å; Y70-H104 AromaticContact CZ-CD2 3.96Å; Y70-H104 AromaticContact CZ-NE2 3.74Å; Y70-L118 HydrophobicContact CD2-CB 4.26Å; Y70-L118 HydrophobicContact CD2-CD1 4.44Å; Y70-F119 WeakPolarHBondContact CB-O 2.91Å; Y70-F119 PolarHBondContact N-O 3.34Å; Y70-D120 HydrophobicContact CD1-CB 4.08Å
71	F	96.1	Very high	96	Very high	75 Å²	75	50.3 Å²	50.3	33%	0.329	26%	0.261	S	S	.	.			trans	-130.3	120.2	167.9	-63.5	-76.7	0	0	0	109.1	W36 N40 P69 H73 N74 F75	W36-F71 HydrophobicContact CZ2-CZ 4.4Å; N40-F71 HydrophobicContact CB-CD2 4.02Å; N40-F71 HydrophobicContact CB-CE2 3.95Å; N40-F71 VanDerWaalsContact CG-CE2 3.48Å; N40-F71 VanDerWaalsContact ND2-CE2 3.32Å; N40-F71 WeakPolarHBondContact ND2-CE2 3.07Å; P69-F71 HydrophobicContact CB-CE2 3.83Å; P69-F71 HydrophobicContact CB-CZ 4.21Å; P69-F71 HydrophobicContact CG-CD2 4.39Å; P69-F71 HydrophobicContact CG-CE2 3.6Å; P69-F71 HydrophobicContact CG-CZ 4.27Å; F71-H73 VanDerWaalsContact C-N 3.32Å; F71-H73 PolarHBondContact O-N 3.1Å; F71-N74 HydrophobicContact CB-CB 4.15Å; F71-N74 PolarHBondContact O-N 2.91Å; F71-F75 PolarHBondContact O-N 3.11Å
72	E	95.2	Very high	96.1	Very high	109 Å²	109	51 Å²	51	51%	0.509	26%	0.259	S	S	.	.	H	α-helix	trans	-54.8	-44	-172	-175.8	-178.1	-178.6	0	0	113.4	Y70 N74 F75 K76	Y70-E72 HydrophobicContact CE1-CB 4.16Å; E72-N74 PolarHBondContact O-N 3.39Å; E72-F75 PolarHBondContact O-N 2.72Å; E72-K76 HydrophobicContact CG-CD 4.32Å; E72-K76 WeakPolarHBondContact O-CG 3.32Å; E72-K76 PolarHBondContact O-N 3.47Å; E72-K76 VanDerWaalsContact O-N 3.12Å; E72-K76 VanDerWaalsContact OE1-CE 3.31Å; E72-K76 WeakPolarHBondContact OE1-CE 3.29Å; E72-K76 IonicContact OE1-NZ 2.99Å; E72-K76 PolarHBondContact OE1-NZ 3.07Å
73	H	94.8	Very high	96.2	Very high	141 Å²	141	50.5 Å²	50.5	65%	0.653	26%	0.264	S	S	*	.	H	α-helix	trans	-62.8	-43.2	178.5	-179.7	71.3	0	0	0	112.2	F71 T77	F71-H73 VanDerWaalsContact C-N 3.32Å; F71-H73 PolarHBondContact O-N 3.1Å; H73-T77 WeakPolarHBondContact O-CG2 3.36Å; H73-T77 PolarHBondContact O-N 2.84Å; H73-T77 PolarHBondContact O-OG1 3.25Å
74	N	94.4	Very high	96.2	Very high	26 Å²	26	49.3 Å²	49.3	14%	0.139	26%	0.258	C	S	.	.	H	α-helix	trans	-70.5	-40.1	-178.7	-64	-3.9	0	0	0	110.9	T39 N40 F71 E72 K76 T77 Q78	T39-N74 VanDerWaalsContact O-CB 3.31Å; T39-N74 WeakPolarHBondContact O-CB 3.48Å; T39-N74 PolarHBondContact O-ND2 3.36Å; N40-N74 PolarHBondContact OD1-ND2 3.31Å; F71-N74 HydrophobicContact CB-CB 4.15Å; F71-N74 PolarHBondContact O-N 2.91Å; E72-N74 PolarHBondContact O-N 3.39Å; N74-K76 PolarHBondContact O-N 3.26Å; N74-T77 WeakPolarHBondContact CA-OG1 3.39Å; N74-T77 PolarHBondContact O-N 3.37Å; N74-T77 PolarHBondContact O-OG1 3.29Å; N74-Q78 VanDerWaalsContact O-CB 3.31Å; N74-Q78 WeakPolarHBondContact O-CB 3.42Å; N74-Q78 PolarHBondContact O-N 3.4Å
75	F	95.4	Very high	96	Very high	32 Å²	32	52.4 Å²	52.4	14%	0.14	28%	0.278	C	S	.	.	H	α-helix	trans	-59.3	-49.6	176.6	-173.3	-97.7	0	0	0	111.3	Y70 F71 E72 T77 V79 H104 L118	Y70-F75 HydrophobicContact CD2-CB 4.13Å; Y70-F75 HydrophobicContact CD2-CD2 4.25Å; Y70-F75 HydrophobicContact CD2-CG 4.28Å; Y70-F75 HydrophobicContact CE2-CB 3.54Å; Y70-F75 HydrophobicContact CE2-CD1 4.13Å; Y70-F75 AromaticContact CE2-CD2 3.98Å; Y70-F75 HydrophobicContact CE2-CD2 3.98Å; Y70-F75 AromaticContact CE2-CG 3.63Å; Y70-F75 HydrophobicContact CE2-CG 3.63Å; F71-F75 PolarHBondContact O-N 3.11Å; E72-F75 PolarHBondContact O-N 2.72Å; F75-T77 PolarHBondContact O-N 3.44Å; F75-V79 HydrophobicContact CD2-CB 3.64Å; F75-V79 HydrophobicContact CD2-CG1 3.72Å; F75-V79 HydrophobicContact CD2-CG2 4.01Å; F75-V79 HydrophobicContact CE2-CB 3.9Å; F75-V79 HydrophobicContact CE2-CG1 3.44Å; F75-V79 VanDerWaalsContact CE2-CG1 3.44Å; F75-V79 HydrophobicContact CG-CB 4.19Å; F75-V79 HydrophobicContact CZ-CG1 4.15Å; F75-V79 WeakPolarHBondContact O-CA 3.42Å; F75-V79 WeakPolarHBondContact O-CB 3.4Å; F75-V79 PolarHBondContact O-N 3.25Å; F75-V79 VanDerWaalsContact O-O 3.11Å; F75-H104 HydrophobicContact CE2-CB 3.97Å; F75-H104 HydrophobicContact CZ-CB 4.35Å; F75-L118 HydrophobicContact CD2-CD1 3.83Å; F75-L118 HydrophobicContact CE2-CD1 4.48Å
76	K	95	Very high	95.7	Very high	145 Å²	145	54.1 Å²	54.1	63%	0.63	29%	0.288	S	S	*	.	H	α-helix	trans	-63.3	-25.6	180	-71	179	-174.7	173.9	0	114.2	E72 N74	E72-K76 HydrophobicContact CG-CD 4.32Å; E72-K76 WeakPolarHBondContact O-CG 3.32Å; E72-K76 PolarHBondContact O-N 3.47Å; E72-K76 VanDerWaalsContact O-N 3.12Å; E72-K76 VanDerWaalsContact OE1-CE 3.31Å; E72-K76 WeakPolarHBondContact OE1-CE 3.29Å; E72-K76 IonicContact OE1-NZ 2.99Å; E72-K76 PolarHBondContact OE1-NZ 3.07Å; N74-K76 PolarHBondContact O-N 3.26Å
77	T	94.5	Very high	95.4	Very high	78 Å²	78	58 Å²	58	48%	0.479	31%	0.313	S	S	.	.	H	α-helix	trans	-100.9	-26.9	-174.7	51.5	0	0	0	0	113.5	H73 N74 F75	H73-T77 WeakPolarHBondContact O-CG2 3.36Å; H73-T77 PolarHBondContact O-N 2.84Å; H73-T77 PolarHBondContact O-OG1 3.25Å; N74-T77 WeakPolarHBondContact CA-OG1 3.39Å; N74-T77 PolarHBondContact O-N 3.37Å; N74-T77 PolarHBondContact O-OG1 3.29Å; F75-T77 PolarHBondContact O-N 3.44Å
78	Q	95.2	Very high	95.2	Very high	39 Å²	39	59.4 Å²	59.4	18%	0.182	32%	0.321	C	S	.	.	H	α-helix	trans	-123.2	-8.3	-171.1	-61.7	176.3	65.1	0	0	113.8	Y46 N74 L109	Y46-Q78 PolarHBondContact OH-OE1 3.03Å; N74-Q78 VanDerWaalsContact O-CB 3.31Å; N74-Q78 WeakPolarHBondContact O-CB 3.42Å; N74-Q78 PolarHBondContact O-N 3.4Å; Q78-L109 VanDerWaalsContact O-CB 3.29Å; Q78-L109 WeakPolarHBondContact O-CB 3.35Å; Q78-L109 WeakPolarHBondContact O-CG 3.36Å; Q78-L109 PolarHBondContact O-N 2.84Å
79	V	97.5	Very high	95.1	Very high	11 Å²	11	59.4 Å²	59.4	7%	0.067	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	131.4	-173.6	-175.5	0	0	0	0	111.1	T39 F75 R107 V116 L118	T39-V79 HydrophobicContact CG2-CG2 3.69Å; F75-V79 HydrophobicContact CD2-CB 3.64Å; F75-V79 HydrophobicContact CD2-CG1 3.72Å; F75-V79 HydrophobicContact CD2-CG2 4.01Å; F75-V79 HydrophobicContact CE2-CB 3.9Å; F75-V79 HydrophobicContact CE2-CG1 3.44Å; F75-V79 VanDerWaalsContact CE2-CG1 3.44Å; F75-V79 HydrophobicContact CG-CB 4.19Å; F75-V79 HydrophobicContact CZ-CG1 4.15Å; F75-V79 WeakPolarHBondContact O-CA 3.42Å; F75-V79 WeakPolarHBondContact O-CB 3.4Å; F75-V79 PolarHBondContact O-N 3.25Å; F75-V79 VanDerWaalsContact O-O 3.11Å; V79-R107 WeakPolarHBondContact CA-O 3.43Å; V79-V116 HydrophobicContact CG1-CG2 3.71Å; V79-V116 HydrophobicContact CG2-CG2 4.26Å; V79-L118 HydrophobicContact CG2-CD1 4.36Å
80	E	97.3	Very high	95	Very high	119 Å²	119	63 Å²	63	56%	0.556	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	107.6	167	-176.3	177	-167.7	0	0	108.9	G106 R107 L109	E80-G106 CarbonylContact O-C 3.56Å; E80-G106 WeakPolarHBondContact O-CA 3.41Å; E80-R107 PolarHBondContact N-O 3.12Å; E80-R107 PolarHBondContact O-N 3.18Å; E80-L109 HydrophobicContact CB-CD2 4.02Å
81	G	95.6	Very high	94.9	Very high	49 Å²	49	66.6 Å²	66.6	51%	0.505	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	133.6	178.7	0	0	0	0	0	111.8
82	C	95.1	Very high	94.9	Very high	52 Å²	52	63 Å²	63	35%	0.351	34%	0.339	S	S	.	.			trans	-148.3	171.4	177.1	63.2	0	0	0	0	111.3	F105	C82-F105 PolarHBondContact N-O 3.34Å; C82-F105 WeakPolarHBondContact O-CD1 3.22Å; C82-F105 VanDerWaalsContact SG-CE1 3.56Å
83	V	93.8	Very high	95	Very high	103 Å²	103	58.4 Å²	58.4	62%	0.624	32%	0.317	S	S	*	.			trans	-84.4	137.4	174.2	-178.5	0	0	0	0	108.6
84	P	94.4	Very high	95.1	Very high	13 Å²	13	54.7 Å²	54.7	8%	0.084	30%	0.302	C	S	.	.			trans	-55.7	124.8	175.3	-21.2	29.2	0	0	0	111.2	N86 I89 Q90 M93 F105	P84-N86 VanDerWaalsContact C-N 3.28Å; P84-N86 PolarHBondContact O-N 3.26Å; P84-I89 HydrophobicContact CB-CB 4.14Å; P84-I89 HydrophobicContact CB-CG2 3.82Å; P84-I89 HydrophobicContact CG-CG2 4.19Å; P84-Q90 HydrophobicContact CB-CB 4.24Å; P84-Q90 HydrophobicContact CG-CB 4.27Å; P84-M93 HydrophobicContact CG-SD 3.7Å; P84-F105 HydrophobicContact CB-CD1 4.3Å; P84-F105 HydrophobicContact CB-CD2 4.15Å; P84-F105 HydrophobicContact CB-CE1 4.26Å; P84-F105 HydrophobicContact CB-CE2 4.12Å; P84-F105 HydrophobicContact CB-CG 4.24Å; P84-F105 HydrophobicContact CB-CZ 4.17Å; P84-F105 HydrophobicContact CG-CB 3.94Å; P84-F105 HydrophobicContact CG-CD1 3.99Å; P84-F105 HydrophobicContact CG-CD2 3.83Å; P84-F105 HydrophobicContact CG-CE1 4.45Å; P84-F105 HydrophobicContact CG-CE2 4.31Å; P84-F105 HydrophobicContact CG-CG 3.65Å
85	P	92.6	Very high	95.2	Very high	66 Å²	66	54.2 Å²	54.2	43%	0.429	30%	0.302	S	S	.	.	S	Bend	trans	-69.1	-31.2	178.7	29.1	-36.3	0	0	0	111.7	P87 Y115	P85-P87 WeakPolarHBondContact O-CD 3.33Å; P85-Y115 HydrophobicContact CG-CE1 4.31Å; P85-Y115 HydrophobicContact CG-CE2 4.17Å
86	N	92	Very high	95.2	Very high	38 Å²	38	52.7 Å²	52.7	20%	0.203	30%	0.296	C	S	.	.	S	Bend	trans	-84.1	116.9	177.5	-174.4	-31.6	0	0	0	110.3	P84 V88 I89 Q90	P84-N86 VanDerWaalsContact C-N 3.28Å; P84-N86 PolarHBondContact O-N 3.26Å; N86-V88 PolarHBondContact O-N 3.46Å; N86-V88 WeakPolarHBondContact OD1-CB 3.37Å; N86-V88 PolarHBondContact OD1-N 2.91Å; N86-I89 HydrophobicContact CB-CB 4.3Å; N86-I89 HydrophobicContact CB-CG1 3.82Å; N86-I89 WeakPolarHBondContact O-CB 3.45Å; N86-I89 PolarHBondContact O-N 2.92Å; N86-I89 VanDerWaalsContact O-N 3.15Å; N86-Q90 PolarHBondContact O-N 3.2Å
87	P	92.9	Very high	95.3	Very high	81 Å²	81	49.1 Å²	49.1	53%	0.526	28%	0.283	S	S	.	.	H	α-helix	trans	-62.1	-26	-178.6	-23.3	34	0	0	0	114.2	P85 Q90 K91	P85-P87 WeakPolarHBondContact O-CD 3.33Å; P87-Q90 PolarHBondContact O-N 3.39Å; P87-K91 WeakPolarHBondContact O-CG 3.17Å; P87-K91 PolarHBondContact O-N 2.9Å
88	V	93.3	Very high	95.4	Very high	30 Å²	30	51.8 Å²	51.8	18%	0.182	29%	0.294	C	S	.	.	H	α-helix	trans	-72.2	-39.1	178.8	-172.8	0	0	0	0	110.4	N86 Q90 K91 A92 L167 H170 L171	N86-V88 PolarHBondContact O-N 3.46Å; N86-V88 WeakPolarHBondContact OD1-CB 3.37Å; N86-V88 PolarHBondContact OD1-N 2.91Å; V88-Q90 VanDerWaalsContact C-N 3.32Å; V88-K91 PolarHBondContact O-N 3.33Å; V88-A92 WeakPolarHBondContact O-CB 3.26Å; V88-A92 PolarHBondContact O-N 3.36Å; V88-L167 HydrophobicContact CG1-CD1 3.78Å; V88-H170 HydrophobicContact CG1-CB 3.5Å; V88-L171 HydrophobicContact CB-CD2 4.01Å; V88-L171 HydrophobicContact CG1-CD2 3.53Å; V88-L171 HydrophobicContact CG1-CG 3.79Å; V88-L171 HydrophobicContact CG2-CD2 4.04Å
89	I	95.6	Very high	95.4	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-60.2	-46.6	171.5	-62.3	-70.6	0	0	0	109.8	M30 F32 Y65 P84 N86 K91 A92 M93 F105 I117 F163 L167	M30-I89 HydrophobicContact CE-CD1 3.63Å; M30-I89 HydrophobicContact CE-CG1 3.98Å; F32-I89 HydrophobicContact CE1-CD1 3.87Å; F32-I89 HydrophobicContact CZ-CD1 3.68Å; Y65-I89 HydrophobicContact CE1-CD1 4.31Å; Y65-I89 HydrophobicContact CE1-CG1 4.16Å; P84-I89 HydrophobicContact CB-CB 4.14Å; P84-I89 HydrophobicContact CB-CG2 3.82Å; P84-I89 HydrophobicContact CG-CG2 4.19Å; N86-I89 HydrophobicContact CB-CB 4.3Å; N86-I89 HydrophobicContact CB-CG1 3.82Å; N86-I89 WeakPolarHBondContact O-CB 3.45Å; N86-I89 PolarHBondContact O-N 2.92Å; N86-I89 VanDerWaalsContact O-N 3.15Å; I89-K91 PolarHBondContact O-N 3.42Å; I89-A92 PolarHBondContact O-N 3.32Å; I89-M93 HydrophobicContact CG2-CG 4.48Å; I89-M93 HydrophobicContact CG2-SD 4.1Å; I89-M93 WeakPolarHBondContact O-CG 3.48Å; I89-M93 PolarHBondContact O-N 2.94Å; I89-F105 HydrophobicContact CG2-CD2 4.38Å; I89-F105 HydrophobicContact CG2-CE2 4.21Å; I89-I117 HydrophobicContact CD1-CD1 4.45Å; I89-I117 HydrophobicContact CG2-CD1 4.15Å; I89-F163 HydrophobicContact CD1-CZ 3.94Å; I89-F163 HydrophobicContact CG2-CZ 4.42Å; I89-L167 HydrophobicContact CD1-CD1 3.87Å
90	Q	96.1	Very high	95.1	Very high	76 Å²	76	56 Å²	56	36%	0.355	33%	0.329	S	S	.	.	H	α-helix	trans	-59.6	-47.8	179.2	-171.9	174.7	14.8	0	0	111.7	P84 N86 P87 V88 A92 M93 D94	P84-Q90 HydrophobicContact CB-CB 4.24Å; P84-Q90 HydrophobicContact CG-CB 4.27Å; N86-Q90 PolarHBondContact O-N 3.2Å; P87-Q90 PolarHBondContact O-N 3.39Å; V88-Q90 VanDerWaalsContact C-N 3.32Å; Q90-A92 PolarHBondContact O-N 2.89Å; Q90-M93 WeakPolarHBondContact O-CB 3.49Å; Q90-M93 PolarHBondContact O-N 3.39Å; Q90-D94 WeakPolarHBondContact O-CB 3.27Å; Q90-D94 PolarHBondContact O-N 3.13Å
91	K	95.8	Very high	95.1	Very high	115 Å²	115	50.6 Å²	50.6	50%	0.5	30%	0.304	S	S	.	.	H	α-helix	trans	-60.1	-42.8	177.3	-74.1	175.1	-178.5	179.7	0	112.9	P87 V88 I89 M93 D94 A95	P87-K91 WeakPolarHBondContact O-CG 3.17Å; P87-K91 PolarHBondContact O-N 2.9Å; V88-K91 PolarHBondContact O-N 3.33Å; I89-K91 PolarHBondContact O-N 3.42Å; K91-M93 VanDerWaalsContact C-N 3.32Å; K91-M93 PolarHBondContact O-N 3.3Å; K91-D94 PolarHBondContact O-N 3.43Å; K91-A95 PolarHBondContact O-N 2.85Å
92	A	96.5	Very high	95.1	Very high	0 Å²	0	53 Å²	53	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-63	-40.1	176.7	0	0	0	0	0	111.5	V88 I89 Q90 L96 F163 E166 L167	V88-A92 WeakPolarHBondContact O-CB 3.26Å; V88-A92 PolarHBondContact O-N 3.36Å; I89-A92 PolarHBondContact O-N 3.32Å; Q90-A92 PolarHBondContact O-N 2.89Å; A92-L96 WeakPolarHBondContact O-CD1 3.3Å; A92-F163 HydrophobicContact CB-CD2 3.85Å; A92-F163 HydrophobicContact CB-CE2 3.58Å; A92-F163 HydrophobicContact CB-CZ 4.21Å; A92-E166 HydrophobicContact CB-CB 3.98Å; A92-L167 HydrophobicContact CB-CB 4.18Å; A92-L167 HydrophobicContact CB-CD1 4.45Å
93	M	97.3	Very high	95.2	Very high	12 Å²	12	51 Å²	51	6%	0.059	29%	0.288	C	S	.	.	H	α-helix	trans	-65.1	-45.9	173.3	-69.6	178.9	54.8	0	0	112.3	P84 I89 Q90 K91 A95 L96 I97 V103 F105 F163	P84-M93 HydrophobicContact CG-SD 3.7Å; I89-M93 HydrophobicContact CG2-CG 4.48Å; I89-M93 HydrophobicContact CG2-SD 4.1Å; I89-M93 WeakPolarHBondContact O-CG 3.48Å; I89-M93 PolarHBondContact O-N 2.94Å; Q90-M93 WeakPolarHBondContact O-CB 3.49Å; Q90-M93 PolarHBondContact O-N 3.39Å; K91-M93 VanDerWaalsContact C-N 3.32Å; K91-M93 PolarHBondContact O-N 3.3Å; M93-A95 VanDerWaalsContact C-N 3.26Å; M93-A95 PolarHBondContact O-N 2.92Å; M93-L96 PolarHBondContact O-N 3.15Å; M93-L96 VanDerWaalsContact O-N 3.1Å; M93-I97 WeakPolarHBondContact O-CG1 3.29Å; M93-I97 PolarHBondContact O-N 3.26Å; M93-V103 HydrophobicContact CE-CB 4.13Å; M93-V103 HydrophobicContact CE-CG1 3.95Å; M93-V103 HydrophobicContact CG-CG1 4.14Å; M93-F105 HydrophobicContact CE-CB 3.84Å; M93-F105 HydrophobicContact SD-CB 3.99Å; M93-F105 HydrophobicContact SD-CD2 4.16Å; M93-F105 HydrophobicContact SD-CG 4.47Å; M93-F163 HydrophobicContact CG-CD2 4.45Å; M93-F163 HydrophobicContact CG-CE2 3.95Å
94	D	96.9	Very high	95.4	Very high	63 Å²	63	48.3 Å²	48.3	34%	0.337	27%	0.269	S	S	.	.	H	α-helix	trans	-60.6	-36.4	-179.7	-69.6	-22.1	0	0	0	111.4	Q90 K91 L96 I97 N98	Q90-D94 WeakPolarHBondContact O-CB 3.27Å; Q90-D94 PolarHBondContact O-N 3.13Å; K91-D94 PolarHBondContact O-N 3.43Å; D94-L96 VanDerWaalsContact C-N 3.34Å; D94-L96 PolarHBondContact O-N 2.83Å; D94-I97 PolarHBondContact O-N 3.12Å; D94-N98 VanDerWaalsContact O-CB 3.25Å; D94-N98 WeakPolarHBondContact O-CB 3.09Å; D94-N98 PolarHBondContact O-N 3.31Å; D94-N98 PolarHBondContact O-ND2 3.19Å
95	A	96.5	Very high	95.6	Very high	17 Å²	17	48.1 Å²	48.1	14%	0.14	27%	0.267	C	S	.	.	H	α-helix	trans	-58.7	-43.5	174.6	0	0	0	0	0	112.1	K91 M93 N99 E166	K91-A95 PolarHBondContact O-N 2.85Å; M93-A95 VanDerWaalsContact C-N 3.26Å; M93-A95 PolarHBondContact O-N 2.92Å; A95-N99 PolarHBondContact O-N 2.89Å; A95-N99 PolarHBondContact O-ND2 2.85Å; A95-E166 HydrophobicContact CB-CB 4.34Å; A95-E166 HydrophobicContact CB-CG 3.76Å
96	L	96.3	Very high	95.8	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-68.5	-42.5	175.4	-81.2	80.8	0	0	0	111.6	A92 M93 D94 N99 C101 V103 F119 L159 W162 F163 E166	A92-L96 WeakPolarHBondContact O-CD1 3.3Å; M93-L96 PolarHBondContact O-N 3.15Å; M93-L96 VanDerWaalsContact O-N 3.1Å; D94-L96 VanDerWaalsContact C-N 3.34Å; D94-L96 PolarHBondContact O-N 2.83Å; L96-N99 CarbonylContact O-C 3.23Å; L96-N99 PolarHBondContact O-N 3.16Å; L96-C101 HydrophobicContact CB-CB 4.31Å; L96-C101 WeakPolarHBondContact O-CB 3.49Å; L96-C101 PolarHBondContact O-N 3.43Å; L96-V103 HydrophobicContact CB-CG2 3.96Å; L96-V103 HydrophobicContact CD2-CG2 4Å; L96-F119 HydrophobicContact CD2-CD1 4.29Å; L96-F119 HydrophobicContact CD2-CE1 3.94Å; L96-L159 HydrophobicContact CD2-CB 4.48Å; L96-L159 HydrophobicContact CD2-CD2 4.07Å; L96-W162 HydrophobicContact CD1-CD2 4.45Å; L96-W162 HydrophobicContact CD1-CG 4.19Å; L96-W162 HydrophobicContact CG-CD2 4.08Å; L96-W162 HydrophobicContact CG-CE3 4.34Å; L96-W162 HydrophobicContact CG-CG 4.24Å; L96-F163 HydrophobicContact CD1-CB 4.2Å; L96-F163 HydrophobicContact CD2-CB 4.39Å; L96-E166 HydrophobicContact CD1-CG 4.33Å
97	I	96.4	Very high	96.1	Very high	69 Å²	69	46.5 Å²	46.5	35%	0.354	25%	0.249	S	C	.	.	H	α-helix	trans	-63.6	-43.8	-178.8	-66.8	165.6	0	0	0	111.4	M93 D94 N99 G100 C101	M93-I97 WeakPolarHBondContact O-CG1 3.29Å; M93-I97 PolarHBondContact O-N 3.26Å; D94-I97 PolarHBondContact O-N 3.12Å; I97-N99 PolarHBondContact O-N 3.37Å; I97-G100 PolarHBondContact O-N 2.97Å; I97-C101 WeakPolarHBondContact CA-O 3.4Å
98	N	96.1	Very high	96.3	Very high	135 Å²	135	42.7 Å²	42.7	72%	0.722	22%	0.224	S	C	*	.	H	α-helix	trans	-64.8	-20.2	177.9	-70.4	-30.8	0	0	0	113	D94	D94-N98 VanDerWaalsContact O-CB 3.25Å; D94-N98 WeakPolarHBondContact O-CB 3.09Å; D94-N98 PolarHBondContact O-N 3.31Å; D94-N98 PolarHBondContact O-ND2 3.19Å
99	N	94.3	Very high	96.5	Very high	91 Å²	91	46.1 Å²	46.1	49%	0.487	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	16.9	173.9	-73.6	-84.6	0	0	0	113.2	A95 L96 I97 W162	A95-N99 PolarHBondContact O-N 2.89Å; A95-N99 PolarHBondContact O-ND2 2.85Å; L96-N99 CarbonylContact O-C 3.23Å; L96-N99 PolarHBondContact O-N 3.16Å; I97-N99 PolarHBondContact O-N 3.37Å; N99-W162 HydrophobicContact CB-CH2 3.44Å; N99-W162 VanDerWaalsContact CB-CH2 3.44Å; N99-W162 HydrophobicContact CB-CZ2 3.82Å; N99-W162 HydrophobicContact CB-CZ3 4.5Å
100	G	92.6	Very high	96.4	Very high	48 Å²	48	47.4 Å²	47.4	50%	0.495	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.8	9.1	171.2	0	0	0	0	0	115.5	I97	I97-G100 PolarHBondContact O-N 2.97Å
101	C	96.4	Very high	96.1	Very high	4 Å²	4	48.8 Å²	48.8	3%	0.027	25%	0.254	C	S	.	.			trans	-88	165.2	169.7	-58.2	0	0	0	0	110.5	L96 I97 L159	L96-C101 HydrophobicContact CB-CB 4.31Å; L96-C101 WeakPolarHBondContact O-CB 3.49Å; L96-C101 PolarHBondContact O-N 3.43Å; I97-C101 WeakPolarHBondContact CA-O 3.4Å; C101-L159 HydrophobicContact CB-CD2 4.11Å
102	Q	96.4	Very high	95.9	Very high	101 Å²	101	44.4 Å²	44.4	47%	0.472	24%	0.242	S	C	.	.			trans	-120	130.7	171.3	-61.7	-176.4	17.8	0	0	110.7	D120 S123	Q102-D120 HydrophobicContact CB-CB 3.87Å; Q102-D120 PolarHBondContact O-N 3.36Å; Q102-S123 PolarHBondContact N-OG 3.15Å
103	V	97.3	Very high	95.8	Very high	10 Å²	10	46 Å²	46	6%	0.061	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	132.1	179.1	-167.4	0	0	0	0	108.2	M93 L96 I117 L118 F119	M93-V103 HydrophobicContact CE-CB 4.13Å; M93-V103 HydrophobicContact CE-CG1 3.95Å; M93-V103 HydrophobicContact CG-CG1 4.14Å; L96-V103 HydrophobicContact CB-CG2 3.96Å; L96-V103 HydrophobicContact CD2-CG2 4Å; V103-I117 HydrophobicContact CG1-CG2 3.62Å; V103-L118 WeakPolarHBondContact CA-O 3.49Å; V103-F119 HydrophobicContact CG1-CD1 3.94Å; V103-F119 HydrophobicContact CG1-CE1 3.86Å; V103-F119 HydrophobicContact CG1-CZ 4.43Å; V103-F119 HydrophobicContact CG2-CD1 3.85Å; V103-F119 HydrophobicContact CG2-CE1 4.06Å
104	H	97.9	Very high	95.8	Very high	45 Å²	45	45.6 Å²	45.6	21%	0.208	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	139.9	-176.7	-61	-88.5	0	0	0	110.5	Y70 F75 I117 L118	Y70-H104 AromaticContact CD1-CD2 4Å; Y70-H104 HydrophobicContact CD2-CB 4.1Å; Y70-H104 AromaticContact CD2-CD2 3.38Å; Y70-H104 WeakPolarHBondContact CD2-CD2 3.16Å; Y70-H104 AromaticContact CD2-CG 3.75Å; Y70-H104 AromaticContact CE1-NE2 3.85Å; Y70-H104 HydrophobicContact CE2-CB 4.32Å; Y70-H104 AromaticContact CE2-CD2 3.57Å; Y70-H104 AromaticContact CE2-CG 3.73Å; Y70-H104 AromaticContact CE2-NE2 3.84Å; Y70-H104 AromaticContact CG-CD2 3.6Å; Y70-H104 AromaticContact CZ-CD2 3.96Å; Y70-H104 AromaticContact CZ-NE2 3.74Å; F75-H104 HydrophobicContact CE2-CB 3.97Å; F75-H104 HydrophobicContact CZ-CB 4.35Å; H104-I117 WeakPolarHBondContact O-CA 3.41Å; H104-L118 HydrophobicContact CB-CB 4.48Å; H104-L118 PolarHBondContact N-O 2.78Å; H104-L118 PolarHBondContact O-N 3.42Å
105	F	98.4	Very high	95.9	Very high	10 Å²	10	43.4 Å²	43.4	4%	0.044	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	145.6	176.1	-171.1	-91.9	0	0	0	110.7	Y65 C82 P84 I89 M93 Y115 V116 I117	Y65-F105 HydrophobicContact CD1-CE2 4.06Å; Y65-F105 HydrophobicContact CE1-CE2 4.01Å; Y65-F105 HydrophobicContact CE1-CZ 4.21Å; C82-F105 PolarHBondContact N-O 3.34Å; C82-F105 WeakPolarHBondContact O-CD1 3.22Å; C82-F105 VanDerWaalsContact SG-CE1 3.56Å; P84-F105 HydrophobicContact CB-CD1 4.3Å; P84-F105 HydrophobicContact CB-CD2 4.15Å; P84-F105 HydrophobicContact CB-CE1 4.26Å; P84-F105 HydrophobicContact CB-CE2 4.12Å; P84-F105 HydrophobicContact CB-CG 4.24Å; P84-F105 HydrophobicContact CB-CZ 4.17Å; P84-F105 HydrophobicContact CG-CB 3.94Å; P84-F105 HydrophobicContact CG-CD1 3.99Å; P84-F105 HydrophobicContact CG-CD2 3.83Å; P84-F105 HydrophobicContact CG-CE1 4.45Å; P84-F105 HydrophobicContact CG-CE2 4.31Å; P84-F105 HydrophobicContact CG-CG 3.65Å; I89-F105 HydrophobicContact CG2-CD2 4.38Å; I89-F105 HydrophobicContact CG2-CE2 4.21Å; M93-F105 HydrophobicContact CE-CB 3.84Å; M93-F105 HydrophobicContact SD-CB 3.99Å; M93-F105 HydrophobicContact SD-CD2 4.16Å; M93-F105 HydrophobicContact SD-CG 4.47Å; F105-Y115 AromaticContact CE1-CD1 3.5Å; F105-Y115 HydrophobicContact CE1-CD1 3.5Å; F105-Y115 VanDerWaalsContact CE1-CD1 3.5Å; F105-Y115 AromaticContact CE1-CE1 3.82Å; F105-Y115 HydrophobicContact CE1-CE1 3.82Å; F105-Y115 HydrophobicContact CE1-CG 4.34Å; F105-Y115 HydrophobicContact CE2-CD1 4.36Å; F105-Y115 HydrophobicContact CE2-CG 4.46Å; F105-Y115 AromaticContact CZ-CD1 3.27Å; F105-Y115 HydrophobicContact CZ-CD1 3.27Å; F105-Y115 AromaticContact CZ-CE1 3.86Å; F105-Y115 HydrophobicContact CZ-CE1 3.86Å; F105-Y115 AromaticContact CZ-CG 3.66Å; F105-Y115 HydrophobicContact CZ-CG 3.66Å; F105-V116 WeakPolarHBondContact CA-O 3.46Å; F105-I117 HydrophobicContact CD2-CG1 3.92Å; F105-I117 HydrophobicContact CE2-CG1 4.17Å
106	G	97.8	Very high	96	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.3	-170.2	174.7	0	0	0	0	0	113.1	E80 Y115 V116	E80-G106 CarbonylContact O-C 3.56Å; E80-G106 WeakPolarHBondContact O-CA 3.41Å; G106-Y115 WeakPolarHBondContact O-CA 3.36Å; G106-V116 PolarHBondContact N-O 3.43Å; G106-V116 VanDerWaalsContact N-O 3.15Å; G106-V116 WeakPolarHBondContact O-CG2 3.17Å; G106-V116 PolarHBondContact O-N 2.96Å
107	R	97.8	Very high	96.1	Very high	69 Å²	69	42.6 Å²	42.6	26%	0.26	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	132.1	169.1	-75.5	-175.2	170.5	-113.4	7	110.3	V79 E80 L109 S113 P114 Y115	V79-R107 WeakPolarHBondContact CA-O 3.43Å; E80-R107 PolarHBondContact N-O 3.12Å; E80-R107 PolarHBondContact O-N 3.18Å; R107-L109 PolarHBondContact O-N 3.32Å; R107-S113 PolarHBondContact NH1-O 2.94Å; R107-P114 WeakPolarHBondContact CA-O 3.31Å; R107-Y115 HydrophobicContact CG-CD1 3.73Å; R107-Y115 HydrophobicContact CG-CE1 3.82Å; R107-Y115 VanDerWaalsContact NE-CE1 3.32Å; R107-Y115 PolarHBondContact NH2-OH 2.99Å
108	W	97.8	Very high	96.2	Very high	1 Å²	1	39.3 Å²	39.3	0%	0.004	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	126	174.7	-164.9	1.5	0	0	0	109.6	T39 Y46 I49 Q50 M66 I110 S113 P114 V116	T39-W108 HydrophobicContact CG2-CD2 4.03Å; T39-W108 HydrophobicContact CG2-CG 4.04Å; Y46-W108 HydrophobicContact CD2-CH2 4.24Å; Y46-W108 HydrophobicContact CD2-CZ2 4.12Å; Y46-W108 HydrophobicContact CE2-CH2 4.01Å; Y46-W108 AromaticContact CE2-CZ2 3.43Å; Y46-W108 HydrophobicContact CE2-CZ2 3.43Å; Y46-W108 VanDerWaalsContact CE2-CZ2 3.43Å; Y46-W108 AromaticContact CZ-CZ2 3.68Å; I49-W108 HydrophobicContact CD1-CH2 4.49Å; I49-W108 HydrophobicContact CD1-CZ3 4.47Å; I49-W108 HydrophobicContact CG1-CH2 4.16Å; I49-W108 HydrophobicContact CG1-CZ3 4.16Å; Q50-W108 HydrophobicContact CB-CH2 3.91Å; Q50-W108 HydrophobicContact CB-CZ2 4.35Å; Q50-W108 HydrophobicContact CG-CH2 4.45Å; Q50-W108 HydrophobicContact CG-CZ2 4.46Å; M66-W108 HydrophobicContact CE-CE3 4.3Å; M66-W108 HydrophobicContact CE-CZ3 3.83Å; M66-W108 HydrophobicContact SD-CE3 3.76Å; M66-W108 HydrophobicContact SD-CZ3 3.92Å; W108-I110 HydrophobicContact CB-CG1 4.11Å; W108-I110 HydrophobicContact CD2-CD1 3.58Å; W108-I110 HydrophobicContact CD2-CG1 3.91Å; W108-I110 HydrophobicContact CD2-CG2 4.1Å; W108-I110 HydrophobicContact CE3-CD1 3.45Å; W108-I110 VanDerWaalsContact CE3-CD1 3.45Å; W108-I110 HydrophobicContact CE3-CG1 4.24Å; W108-I110 HydrophobicContact CG-CD1 4.08Å; W108-I110 HydrophobicContact CG-CG1 3.87Å; W108-I110 HydrophobicContact CG-CG2 4.08Å; W108-I110 HydrophobicContact CH2-CD1 4.24Å; W108-I110 HydrophobicContact CZ2-CD1 4.35Å; W108-I110 HydrophobicContact CZ2-CG2 4.26Å; W108-I110 HydrophobicContact CZ3-CD1 3.81Å; W108-I110 PolarHBondContact O-N 3.44Å; W108-S113 WeakPolarHBondContact O-CA 3.31Å; W108-P114 HydrophobicContact CB-CG 4.14Å; W108-P114 HydrophobicContact CE3-CG 4.49Å; W108-P114 PolarHBondContact N-O 3.47Å; W108-V116 HydrophobicContact CB-CG1 3.78Å; W108-V116 HydrophobicContact CG-CG1 4.49Å
109	L	96.6	Very high	96.3	Very high	103 Å²	103	32.9 Å²	32.9	54%	0.539	18%	0.18	S	C	.	.	S	Bend	trans	-75.2	61.9	-179.4	-63	175.6	0	0	0	112	Q78 E80 R107	Q78-L109 VanDerWaalsContact O-CB 3.29Å; Q78-L109 WeakPolarHBondContact O-CB 3.35Å; Q78-L109 WeakPolarHBondContact O-CG 3.36Å; Q78-L109 PolarHBondContact O-N 2.84Å; E80-L109 HydrophobicContact CB-CD2 4.02Å; R107-L109 PolarHBondContact O-N 3.32Å
110	I	93.8	Very high	96.4	Very high	26 Å²	26	30.2 Å²	30.2	13%	0.133	17%	0.166	C	C	.	.	S	Bend	trans	-132.1	173	176.5	61.5	166	0	0	0	109.8	Q50 A53 W108 G112 S113 P114	Q50-I110 HydrophobicContact CB-CD1 4.34Å; Q50-I110 HydrophobicContact CG-CB 4.26Å; Q50-I110 HydrophobicContact CG-CD1 3.88Å; Q50-I110 HydrophobicContact CG-CG2 3.97Å; A53-I110 HydrophobicContact CB-CD1 3.67Å; W108-I110 HydrophobicContact CB-CG1 4.11Å; W108-I110 HydrophobicContact CD2-CD1 3.58Å; W108-I110 HydrophobicContact CD2-CG1 3.91Å; W108-I110 HydrophobicContact CD2-CG2 4.1Å; W108-I110 HydrophobicContact CE3-CD1 3.45Å; W108-I110 VanDerWaalsContact CE3-CD1 3.45Å; W108-I110 HydrophobicContact CE3-CG1 4.24Å; W108-I110 HydrophobicContact CG-CD1 4.08Å; W108-I110 HydrophobicContact CG-CG1 3.87Å; W108-I110 HydrophobicContact CG-CG2 4.08Å; W108-I110 HydrophobicContact CH2-CD1 4.24Å; W108-I110 HydrophobicContact CZ2-CD1 4.35Å; W108-I110 HydrophobicContact CZ2-CG2 4.26Å; W108-I110 HydrophobicContact CZ3-CD1 3.81Å; W108-I110 PolarHBondContact O-N 3.44Å; I110-G112 PolarHBondContact O-N 2.84Å; I110-S113 PolarHBondContact O-N 3.32Å; I110-P114 HydrophobicContact CD1-CG 4.2Å; I110-P114 HydrophobicContact CG1-CG 4.35Å
111	E	89.3	Confident	96.6	Very high	106 Å²	106	28.8 Å²	28.8	50%	0.495	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	128	175.9	-163.2	179.2	173.7	0	0	111.1	K54	K54-E111 HydrophobicContact CB-CB 4.46Å; K54-E111 HydrophobicContact CB-CG 4.1Å; K54-E111 HydrophobicContact CD-CG 3.97Å; K54-E111 HydrophobicContact CG-CG 3.99Å
112	G	90.8	Very high	96.5	Very high	23 Å²	23	31.2 Å²	31.2	24%	0.237	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.2	-23.5	-173.2	0	0	0	0	0	114.3	V57 I110	V57-G112 WeakPolarHBondContact CG1-O 3.45Å; I110-G112 PolarHBondContact O-N 2.84Å
113	S	95.7	Very high	96.4	Very high	34 Å²	34	27.3 Å²	27.3	24%	0.238	16%	0.157	C	C	.	.			trans	49	55.4	178	-163.7	0	0	0	0	114.5	R107 W108 I110	R107-S113 PolarHBondContact NH1-O 2.94Å; W108-S113 WeakPolarHBondContact O-CA 3.31Å; I110-S113 PolarHBondContact O-N 3.32Å
114	P	97.2	Very high	96.3	Very high	3 Å²	3	26.9 Å²	26.9	2%	0.019	15%	0.154	C	C	.	.			trans	-68.3	153.6	-177.5	32.4	-38	0	0	0	112	A53 V57 Y64 M66 R107 W108 I110	A53-P114 HydrophobicContact CB-CG 4.03Å; V57-P114 HydrophobicContact CG2-CB 3.84Å; Y64-P114 HydrophobicContact CD1-CB 3.83Å; Y64-P114 HydrophobicContact CE1-CB 3.66Å; M66-P114 HydrophobicContact CG-CB 4.36Å; M66-P114 HydrophobicContact SD-CB 4.07Å; M66-P114 HydrophobicContact SD-CG 3.7Å; R107-P114 WeakPolarHBondContact CA-O 3.31Å; W108-P114 HydrophobicContact CB-CG 4.14Å; W108-P114 HydrophobicContact CE3-CG 4.49Å; W108-P114 PolarHBondContact N-O 3.47Å; I110-P114 HydrophobicContact CD1-CG 4.2Å; I110-P114 HydrophobicContact CG1-CG 4.35Å
115	Y	98.4	Very high	96.1	Very high	16 Å²	16	27 Å²	27	6%	0.063	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	141.5	170.8	-70.1	-60.4	0	0	0	111.3	E62 Y65 M66 P85 F105 G106 R107	E62-Y115 HydrophobicContact CB-CE2 4Å; E62-Y115 HydrophobicContact CG-CE2 4.13Å; Y65-Y115 HydrophobicContact CD1-CD2 4.48Å; Y65-Y115 HydrophobicContact CD1-CG 4.36Å; Y65-Y115 HydrophobicContact CE1-CD2 4.03Å; Y65-Y115 HydrophobicContact CE1-CG 4.19Å; M66-Y115 PolarHBondContact N-O 3.18Å; P85-Y115 HydrophobicContact CG-CE1 4.31Å; P85-Y115 HydrophobicContact CG-CE2 4.17Å; F105-Y115 AromaticContact CE1-CD1 3.5Å; F105-Y115 HydrophobicContact CE1-CD1 3.5Å; F105-Y115 VanDerWaalsContact CE1-CD1 3.5Å; F105-Y115 AromaticContact CE1-CE1 3.82Å; F105-Y115 HydrophobicContact CE1-CE1 3.82Å; F105-Y115 HydrophobicContact CE1-CG 4.34Å; F105-Y115 HydrophobicContact CE2-CD1 4.36Å; F105-Y115 HydrophobicContact CE2-CG 4.46Å; F105-Y115 AromaticContact CZ-CD1 3.27Å; F105-Y115 HydrophobicContact CZ-CD1 3.27Å; F105-Y115 AromaticContact CZ-CE1 3.86Å; F105-Y115 HydrophobicContact CZ-CE1 3.86Å; F105-Y115 AromaticContact CZ-CG 3.66Å; F105-Y115 HydrophobicContact CZ-CG 3.66Å; G106-Y115 WeakPolarHBondContact O-CA 3.36Å; R107-Y115 HydrophobicContact CG-CD1 3.73Å; R107-Y115 HydrophobicContact CG-CE1 3.82Å; R107-Y115 VanDerWaalsContact NE-CE1 3.32Å; R107-Y115 PolarHBondContact NH2-OH 2.99Å
116	V	98.4	Very high	95.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	139.1	176.1	-63.9	0	0	0	0	111.5	V38 T39 M66 V79 F105 G106 W108 L118	V38-V116 HydrophobicContact CG1-CG1 4.13Å; T39-V116 HydrophobicContact CG2-CG1 4.24Å; M66-V116 HydrophobicContact CB-CG1 4.23Å; M66-V116 CarbonylContact O-C 3.55Å; M66-V116 VanDerWaalsContact O-CA 3.29Å; M66-V116 WeakPolarHBondContact O-CA 3.43Å; V79-V116 HydrophobicContact CG1-CG2 3.71Å; V79-V116 HydrophobicContact CG2-CG2 4.26Å; F105-V116 WeakPolarHBondContact CA-O 3.46Å; G106-V116 PolarHBondContact N-O 3.43Å; G106-V116 VanDerWaalsContact N-O 3.15Å; G106-V116 WeakPolarHBondContact O-CG2 3.17Å; G106-V116 PolarHBondContact O-N 2.96Å; W108-V116 HydrophobicContact CB-CG1 3.78Å; W108-V116 HydrophobicContact CG-CG1 4.49Å; V116-L118 HydrophobicContact CB-CD2 4.35Å; V116-L118 HydrophobicContact CB-CG 4.39Å; V116-L118 HydrophobicContact CG2-CG 4.38Å
117	I	98.6	Very high	95.7	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	111.8	171.4	-54.4	172.5	0	0	0	107.3	F32 Y65 M66 M67 G68 I89 V103 H104 F105 F119 F163	F32-I117 HydrophobicContact CD1-CD1 4.48Å; F32-I117 HydrophobicContact CE1-CD1 4.02Å; Y65-I117 HydrophobicContact CD1-CD1 4.23Å; M66-I117 PolarHBondContact O-N 3.03Å; M67-I117 VanDerWaalsContact CA-O 3.32Å; M67-I117 WeakPolarHBondContact CA-O 3.41Å; M67-I117 HydrophobicContact CE-CB 4.14Å; M67-I117 HydrophobicContact CE-CD1 3.9Å; M67-I117 HydrophobicContact CE-CG2 4.08Å; M67-I117 HydrophobicContact CG-CB 4.34Å; G68-I117 PolarHBondContact N-O 3.04Å; I89-I117 HydrophobicContact CD1-CD1 4.45Å; I89-I117 HydrophobicContact CG2-CD1 4.15Å; V103-I117 HydrophobicContact CG1-CG2 3.62Å; H104-I117 WeakPolarHBondContact O-CA 3.41Å; F105-I117 HydrophobicContact CD2-CG1 3.92Å; F105-I117 HydrophobicContact CE2-CG1 4.17Å; I117-F119 HydrophobicContact CG2-CE1 4.45Å; I117-F119 HydrophobicContact CG2-CE2 3.92Å; I117-F119 HydrophobicContact CG2-CZ 3.79Å; I117-F163 HydrophobicContact CD1-CE1 4.19Å; I117-F163 HydrophobicContact CD1-CE2 4.29Å; I117-F163 HydrophobicContact CD1-CZ 3.7Å
118	L	98.6	Very high	95.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	128.1	-173.7	-55.8	-179.9	0	0	0	111.3	V38 T39 G68 Y70 F75 V79 V103 H104 V116	V38-L118 HydrophobicContact CG1-CD2 4.07Å; T39-L118 HydrophobicContact CG2-CD1 4.23Å; T39-L118 HydrophobicContact CG2-CD2 4.31Å; G68-L118 VanDerWaalsContact O-CA 3.32Å; G68-L118 WeakPolarHBondContact O-CA 3.46Å; Y70-L118 HydrophobicContact CD2-CB 4.26Å; Y70-L118 HydrophobicContact CD2-CD1 4.44Å; F75-L118 HydrophobicContact CD2-CD1 3.83Å; F75-L118 HydrophobicContact CE2-CD1 4.48Å; V79-L118 HydrophobicContact CG2-CD1 4.36Å; V103-L118 WeakPolarHBondContact CA-O 3.49Å; H104-L118 HydrophobicContact CB-CB 4.48Å; H104-L118 PolarHBondContact N-O 2.78Å; H104-L118 PolarHBondContact O-N 3.42Å; V116-L118 HydrophobicContact CB-CD2 4.35Å; V116-L118 HydrophobicContact CB-CG 4.39Å; V116-L118 HydrophobicContact CG2-CG 4.38Å
119	F	98.4	Very high	95.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	124.3	-174.6	-63.4	-86.8	0	0	0	111.3	M67 G68 Y70 L96 V103 I117 I121 L156 L159 I160 F163	M67-F119 HydrophobicContact CB-CE2 4.27Å; M67-F119 HydrophobicContact CE-CE2 3.62Å; M67-F119 HydrophobicContact CE-CZ 3.51Å; G68-F119 PolarHBondContact O-N 3.35Å; Y70-F119 WeakPolarHBondContact CB-O 2.91Å; Y70-F119 PolarHBondContact N-O 3.34Å; L96-F119 HydrophobicContact CD2-CD1 4.29Å; L96-F119 HydrophobicContact CD2-CE1 3.94Å; V103-F119 HydrophobicContact CG1-CD1 3.94Å; V103-F119 HydrophobicContact CG1-CE1 3.86Å; V103-F119 HydrophobicContact CG1-CZ 4.43Å; V103-F119 HydrophobicContact CG2-CD1 3.85Å; V103-F119 HydrophobicContact CG2-CE1 4.06Å; I117-F119 HydrophobicContact CG2-CE1 4.45Å; I117-F119 HydrophobicContact CG2-CE2 3.92Å; I117-F119 HydrophobicContact CG2-CZ 3.79Å; F119-I121 PolarHBondContact O-N 3.15Å; F119-I121 VanDerWaalsContact O-N 3.14Å; F119-L156 HydrophobicContact CB-CD1 3.98Å; F119-L156 HydrophobicContact CD2-CD1 4.07Å; F119-L156 HydrophobicContact CG-CD1 4.36Å; F119-L159 HydrophobicContact CB-CB 4.44Å; F119-L159 HydrophobicContact CB-CD1 3.93Å; F119-L159 HydrophobicContact CD1-CB 3.77Å; F119-L159 HydrophobicContact CD1-CD1 4.42Å; F119-L159 HydrophobicContact CE1-CB 4.32Å; F119-L159 HydrophobicContact CG-CB 4.22Å; F119-I160 HydrophobicContact CD2-CG1 3.93Å; F119-I160 HydrophobicContact CE2-CD1 4.43Å; F119-I160 HydrophobicContact CE2-CG1 3.6Å; F119-I160 HydrophobicContact CZ-CG1 4.1Å; F119-F163 HydrophobicContact CE1-CB 4.04Å; F119-F163 HydrophobicContact CE1-CG 4.47Å; F119-F163 HydrophobicContact CZ-CB 3.94Å; F119-F163 HydrophobicContact CZ-CD2 4.45Å; F119-F163 HydrophobicContact CZ-CG 4.09Å
120	D	97.4	Very high	95.5	Very high	35 Å²	35	41.4 Å²	41.4	19%	0.187	22%	0.222	C	C	.	.			trans	-78.1	100	172.8	-179.1	10.1	0	0	0	110.4	Y70 Q102 G122 S123	Y70-D120 HydrophobicContact CD1-CB 4.08Å; Q102-D120 HydrophobicContact CB-CB 3.87Å; Q102-D120 PolarHBondContact O-N 3.36Å; D120-G122 PolarHBondContact O-N 2.8Å; D120-G122 WeakPolarHBondContact OD1-CA 3.39Å; D120-G122 PolarHBondContact OD1-N 2.76Å; D120-S123 PolarHBondContact O-N 2.66Å; D120-S123 PolarHBondContact O-OG 2.76Å; D120-S123 PolarHBondContact OD1-N 3.08Å; D120-S123 WeakPolarHBondContact OD2-CB 3.47Å; D120-S123 PolarHBondContact OD2-N 3.42Å
121	I	95.6	Very high	95.6	Very high	18 Å²	18	40.7 Å²	40.7	9%	0.092	22%	0.217	C	C	.	.	H	α-helix	trans	-58.9	-34.4	176.5	-64.5	174.5	0	0	0	111.1	W36 P69 F119 A124 A125 D152 I155 L156	W36-I121 HydrophobicContact CH2-CD1 3.54Å; W36-I121 HydrophobicContact CZ3-CD1 3.71Å; P69-I121 HydrophobicContact CB-CD1 3.73Å; P69-I121 HydrophobicContact CB-CG1 4.48Å; F119-I121 PolarHBondContact O-N 3.15Å; F119-I121 VanDerWaalsContact O-N 3.14Å; I121-A124 PolarHBondContact O-N 2.84Å; I121-A125 PolarHBondContact O-N 3.04Å; I121-D152 HydrophobicContact CD1-CB 4.3Å; I121-D152 HydrophobicContact CG2-CB 4.12Å; I121-I155 HydrophobicContact CB-CG2 4.06Å; I121-I155 HydrophobicContact CG1-CG2 4.28Å; I121-I155 HydrophobicContact CG2-CB 3.88Å; I121-I155 HydrophobicContact CG2-CD1 3.86Å; I121-I155 HydrophobicContact CG2-CG1 4.5Å; I121-I155 HydrophobicContact CG2-CG2 3.6Å; I121-L156 HydrophobicContact CD1-CB 4.06Å; I121-L156 HydrophobicContact CG1-CB 4.33Å
122	G	94.8	Very high	95.9	Very high	55 Å²	55	37.1 Å²	37.1	57%	0.567	20%	0.2	S	C	*	.	H	α-helix	trans	-64.2	-42.3	-179.9	0	0	0	0	0	112.2	D120 A124 A125	D120-G122 PolarHBondContact O-N 2.8Å; D120-G122 WeakPolarHBondContact OD1-CA 3.39Å; D120-G122 PolarHBondContact OD1-N 2.76Å; G122-A124 PolarHBondContact O-N 2.66Å; G122-A125 PolarHBondContact O-N 2.71Å
123	S	94.3	Very high	96.2	Very high	20 Å²	20	37.4 Å²	37.4	14%	0.14	20%	0.203	C	C	.	.	H	α-helix	trans	-60.5	-25.6	177.3	74.8	0	0	0	0	113.8	Q102 D120 W126	Q102-S123 PolarHBondContact N-OG 3.15Å; D120-S123 PolarHBondContact O-N 2.66Å; D120-S123 PolarHBondContact O-OG 2.76Å; D120-S123 PolarHBondContact OD1-N 3.08Å; D120-S123 WeakPolarHBondContact OD2-CB 3.47Å; D120-S123 PolarHBondContact OD2-N 3.42Å; S123-W126 PolarHBondContact O-NE1 2.55Å
124	A	94.6	Very high	96.1	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.008	20%	0.201	C	C	.	.	H	α-helix	trans	-106.2	0.5	-174.6	0	0	0	0	0	114.2	I121 G122 W126 N127 W131 I155 L159	I121-A124 PolarHBondContact O-N 2.84Å; G122-A124 PolarHBondContact O-N 2.66Å; A124-W126 PolarHBondContact O-N 3.45Å; A124-W126 VanDerWaalsContact O-N 3.13Å; A124-N127 PolarHBondContact O-N 2.91Å; A124-N127 VanDerWaalsContact O-N 3.07Å; A124-W131 HydrophobicContact CB-CH2 3.89Å; A124-W131 HydrophobicContact CB-CZ3 4.03Å; A124-I155 HydrophobicContact CB-CG2 3.9Å; A124-L159 HydrophobicContact CB-CD1 3.79Å; A124-L159 HydrophobicContact CB-CD2 3.87Å; A124-L159 HydrophobicContact CB-CG 4.14Å
125	A	93.4	Very high	96	Very high	48 Å²	48	37.5 Å²	37.5	40%	0.397	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-60.5	-26.3	-174.6	0	0	0	0	0	113.7	I121 G122 N127 L128 I155	I121-A125 PolarHBondContact O-N 3.04Å; G122-A125 PolarHBondContact O-N 2.71Å; A125-N127 PolarHBondContact O-N 3.15Å; A125-N127 VanDerWaalsContact O-N 3.17Å; A125-L128 VanDerWaalsContact O-CB 3.29Å; A125-L128 WeakPolarHBondContact O-CB 3.32Å; A125-L128 PolarHBondContact O-N 3.03Å; A125-I155 HydrophobicContact CB-CD1 4.38Å
126	W	94.5	Very high	95.9	Very high	166 Å²	166	43.3 Å²	43.3	63%	0.629	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-60.8	-22	176.8	64.5	-93.7	0	0	0	113.5	S123 A124	S123-W126 PolarHBondContact O-NE1 2.55Å; A124-W126 PolarHBondContact O-N 3.45Å; A124-W126 VanDerWaalsContact O-N 3.13Å
127	N	94.1	Very high	95.8	Very high	11 Å²	11	50.4 Å²	50.4	6%	0.059	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-97.1	3	-177.3	-152.7	19.8	0	0	0	113.3	A124 A125 D129 R130 W131	A124-N127 PolarHBondContact O-N 2.91Å; A124-N127 VanDerWaalsContact O-N 3.07Å; A125-N127 PolarHBondContact O-N 3.15Å; A125-N127 VanDerWaalsContact O-N 3.17Å; N127-D129 PolarHBondContact O-N 3.14Å; N127-R130 PolarHBondContact O-N 2.94Å; N127-R130 WeakPolarHBondContact OD1-CB 3.32Å; N127-R130 VanDerWaalsContact OD1-CD 3.27Å; N127-R130 WeakPolarHBondContact OD1-CD 3.48Å; N127-W131 HydrophobicContact CB-CD2 4.2Å; N127-W131 HydrophobicContact CB-CE3 4.12Å; N127-W131 HydrophobicContact CB-CH2 4.07Å; N127-W131 HydrophobicContact CB-CZ2 4.13Å; N127-W131 HydrophobicContact CB-CZ3 4.03Å; N127-W131 WeakPolarHBondContact ND2-CZ2 3.48Å; N127-W131 PolarHBondContact ND2-NE1 3.09Å; N127-W131 PolarHBondContact O-N 3.06Å; N127-W131 VanDerWaalsContact O-N 3.1Å
128	L	95.5	Very high	95.5	Very high	24 Å²	24	53.3 Å²	53.3	13%	0.126	27%	0.273	C	S	.	.	H	α-helix	trans	-57.3	-46	-174	174.6	62	0	0	0	112.9	A125 R130 W131 K132 N151 L154 I155	A125-L128 VanDerWaalsContact O-CB 3.29Å; A125-L128 WeakPolarHBondContact O-CB 3.32Å; A125-L128 PolarHBondContact O-N 3.03Å; L128-R130 VanDerWaalsContact C-N 3.31Å; L128-R130 PolarHBondContact O-N 2.63Å; L128-W131 PolarHBondContact O-N 2.92Å; L128-K132 HydrophobicContact CD1-CD 4.49Å; L128-K132 HydrophobicContact CD1-CG 4.21Å; L128-K132 HydrophobicContact CG-CD 4.41Å; L128-K132 HydrophobicContact CG-CG 4.5Å; L128-K132 WeakPolarHBondContact O-CG 3.33Å; L128-K132 PolarHBondContact O-N 3.03Å; L128-N151 HydrophobicContact CD1-CB 4.1Å; L128-N151 HydrophobicContact CD2-CB 3.94Å; L128-L154 HydrophobicContact CD1-CD2 4.31Å; L128-I155 HydrophobicContact CB-CD1 4.33Å; L128-I155 HydrophobicContact CB-CG1 4.4Å; L128-I155 HydrophobicContact CD1-CD1 4.14Å; L128-I155 HydrophobicContact CD1-CG1 3.91Å
129	D	95.7	Very high	95.2	Very high	123 Å²	123	55.1 Å²	55.1	66%	0.658	29%	0.286	S	S	*	.	H	α-helix	trans	-64.2	-38.1	-176.8	-71.6	-27	0	0	0	112.1	N127 K132 G133	N127-D129 PolarHBondContact O-N 3.14Å; D129-K132 PolarHBondContact O-N 2.86Å; D129-G133 PolarHBondContact O-N 3.29Å; D129-G133 VanDerWaalsContact O-N 3.12Å
130	R	96.1	Very high	95.1	Very high	161 Å²	161	61.4 Å²	61.4	61%	0.608	32%	0.315	S	S	*	.	H	α-helix	trans	-62	-49.2	172.8	-179.8	-173.8	171.7	-177.5	-2.5	110.6	N127 L128 K132 G133 D134	N127-R130 PolarHBondContact O-N 2.94Å; N127-R130 WeakPolarHBondContact OD1-CB 3.32Å; N127-R130 VanDerWaalsContact OD1-CD 3.27Å; N127-R130 WeakPolarHBondContact OD1-CD 3.48Å; L128-R130 VanDerWaalsContact C-N 3.31Å; L128-R130 PolarHBondContact O-N 2.63Å; R130-K132 VanDerWaalsContact C-N 3.28Å; R130-K132 PolarHBondContact O-N 2.98Å; R130-G133 CarbonylContact O-C 3.57Å; R130-G133 WeakPolarHBondContact O-CA 3.43Å; R130-G133 PolarHBondContact O-N 3.18Å; R130-D134 PolarHBondContact O-N 3.38Å
131	W	96.1	Very high	95	Very high	10 Å²	10	60.3 Å²	60.3	4%	0.038	31%	0.309	C	S	.	.	H	α-helix	trans	-66.2	-28.5	-179.7	-69.2	-31.6	0	0	0	113.6	A124 N127 L128 G133 D134 L135 L154 I155 S158 L159	A124-W131 HydrophobicContact CB-CH2 3.89Å; A124-W131 HydrophobicContact CB-CZ3 4.03Å; N127-W131 HydrophobicContact CB-CD2 4.2Å; N127-W131 HydrophobicContact CB-CE3 4.12Å; N127-W131 HydrophobicContact CB-CH2 4.07Å; N127-W131 HydrophobicContact CB-CZ2 4.13Å; N127-W131 HydrophobicContact CB-CZ3 4.03Å; N127-W131 WeakPolarHBondContact ND2-CZ2 3.48Å; N127-W131 PolarHBondContact ND2-NE1 3.09Å; N127-W131 PolarHBondContact O-N 3.06Å; N127-W131 VanDerWaalsContact O-N 3.1Å; L128-W131 PolarHBondContact O-N 2.92Å; W131-G133 VanDerWaalsContact C-N 3.34Å; W131-D134 PolarHBondContact O-N 3.48Å; W131-L135 WeakPolarHBondContact O-CB 3.32Å; W131-L135 PolarHBondContact O-N 3.41Å; W131-L154 HydrophobicContact CB-CD2 4.19Å; W131-L154 HydrophobicContact CB-CG 4.25Å; W131-I155 HydrophobicContact CE3-CB 4.46Å; W131-I155 HydrophobicContact CE3-CG1 4.12Å; W131-I155 HydrophobicContact CZ3-CB 4.14Å; W131-I155 HydrophobicContact CZ3-CG1 4.08Å; W131-I155 HydrophobicContact CZ3-CG2 3.85Å; W131-S158 VanDerWaalsContact CG-OG 3.29Å; W131-L159 HydrophobicContact CH2-CD2 3.97Å; W131-L159 HydrophobicContact CH2-CG 4.07Å
132	K	96.8	Very high	95	Very high	32 Å²	32	61.3 Å²	61.3	14%	0.139	32%	0.324	C	S	.	.	H	α-helix	trans	-63.8	-42	168.7	-74.3	-176.7	177.9	-161	0	111.3	L128 D129 R130 L135 W136 L143 N151 L154	L128-K132 HydrophobicContact CD1-CD 4.49Å; L128-K132 HydrophobicContact CD1-CG 4.21Å; L128-K132 HydrophobicContact CG-CD 4.41Å; L128-K132 HydrophobicContact CG-CG 4.5Å; L128-K132 WeakPolarHBondContact O-CG 3.33Å; L128-K132 PolarHBondContact O-N 3.03Å; D129-K132 PolarHBondContact O-N 2.86Å; R130-K132 VanDerWaalsContact C-N 3.28Å; R130-K132 PolarHBondContact O-N 2.98Å; K132-L135 PolarHBondContact O-N 3.12Å; K132-W136 WeakPolarHBondContact O-CB 3.16Å; K132-W136 PolarHBondContact O-N 3.1Å; K132-L143 HydrophobicContact CD-CB 4.47Å; K132-L143 PolarHBondContact NZ-O 2.98Å; K132-L143 VanDerWaalsContact NZ-O 3.16Å; K132-N151 WeakPolarHBondContact CE-OD1 3.13Å; K132-N151 PolarHBondContact NZ-OD1 2.66Å; K132-L154 HydrophobicContact CB-CD2 4.49Å; K132-L154 HydrophobicContact CG-CD2 3.81Å
133	G	96.1	Very high	95	Very high	29 Å²	29	59.6 Å²	59.6	30%	0.299	30%	0.301	S	S	.	.	H	α-helix	trans	-57.4	-53.4	170.9	0	0	0	0	0	111.7	D129 R130 W131 L135 W136 E137	D129-G133 PolarHBondContact O-N 3.29Å; D129-G133 VanDerWaalsContact O-N 3.12Å; R130-G133 CarbonylContact O-C 3.57Å; R130-G133 WeakPolarHBondContact O-CA 3.43Å; R130-G133 PolarHBondContact O-N 3.18Å; W131-G133 VanDerWaalsContact C-N 3.34Å; G133-L135 VanDerWaalsContact C-N 3.32Å; G133-L135 PolarHBondContact O-N 2.94Å; G133-W136 WeakPolarHBondContact O-CB 3.38Å; G133-W136 PolarHBondContact O-N 3.09Å; G133-W136 VanDerWaalsContact O-N 3.12Å; G133-E137 WeakPolarHBondContact O-CG 3.3Å; G133-E137 PolarHBondContact O-N 3.1Å
134	D	93.9	Very high	94.9	Very high	38 Å²	38	60.4 Å²	60.4	20%	0.203	31%	0.306	C	S	.	.	H	α-helix	trans	-56.8	-43.3	179.1	-67.1	-0.7	0	0	0	112	R130 W131 E137 T138 R196	R130-D134 PolarHBondContact O-N 3.38Å; W131-D134 PolarHBondContact O-N 3.48Å; D134-E137 PolarHBondContact O-N 2.81Å; D134-T138 VanDerWaalsContact O-CB 3.23Å; D134-T138 WeakPolarHBondContact O-CB 3.3Å; D134-T138 PolarHBondContact O-N 3.43Å; D134-T138 PolarHBondContact O-OG1 3.21Å; D134-R196 IonicContact OD2-NH2 3.86Å
135	L	95.9	Very high	94.7	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-64.8	-43.4	178	-174.2	72.1	0	0	0	111.4	W131 K132 G133 T138 C139 I141 L143 L154	W131-L135 WeakPolarHBondContact O-CB 3.32Å; W131-L135 PolarHBondContact O-N 3.41Å; K132-L135 PolarHBondContact O-N 3.12Å; G133-L135 VanDerWaalsContact C-N 3.32Å; G133-L135 PolarHBondContact O-N 2.94Å; L135-T138 PolarHBondContact O-N 2.68Å; L135-C139 PolarHBondContact O-N 3.05Å; L135-C139 PolarHBondContact O-SG 3.37Å; L135-I141 HydrophobicContact CD2-CB 4.21Å; L135-I141 HydrophobicContact CD2-CG2 4.24Å; L135-I141 HydrophobicContact CG-CB 4.34Å; L135-L143 HydrophobicContact CD2-CD1 4.13Å; L135-L143 HydrophobicContact CD2-CD2 4.35Å; L135-L143 HydrophobicContact CD2-CG 4.04Å; L135-L154 HydrophobicContact CB-CD1 4.25Å; L135-L154 HydrophobicContact CD1-CD1 4.36Å; L135-L154 HydrophobicContact CD2-CD1 4.12Å; L135-L154 HydrophobicContact CD2-CD2 4.27Å; L135-L154 HydrophobicContact CG-CD1 4.48Å
136	W	96.5	Very high	94.6	Very high	139 Å²	139	74.7 Å²	74.7	53%	0.527	36%	0.357	S	S	.	.	H	α-helix	trans	-63.9	-42.9	177.4	178.5	-97.8	0	0	0	112.2	K132 G133 T138 H140	K132-W136 WeakPolarHBondContact O-CB 3.16Å; K132-W136 PolarHBondContact O-N 3.1Å; G133-W136 WeakPolarHBondContact O-CB 3.38Å; G133-W136 PolarHBondContact O-N 3.09Å; G133-W136 VanDerWaalsContact O-N 3.12Å; W136-T138 VanDerWaalsContact C-N 3.31Å; W136-H140 VanDerWaalsContact CE3-C 3.44Å; W136-H140 HydrophobicContact CE3-CB 4.49Å; W136-H140 HydrophobicContact CH2-CB 4.45Å; W136-H140 HydrophobicContact CZ3-CB 4.37Å; W136-H140 WeakPolarHBondContact CZ3-O 2.84Å; W136-H140 WeakPolarHBondContact O-CA 3.39Å; W136-H140 PolarHBondContact O-N 2.76Å; W136-H140 PolarHBondContact O-ND1 2.99Å
137	E	94.4	Very high	94.6	Very high	149 Å²	149	67.5 Å²	67.5	70%	0.696	33%	0.331	S	S	*	.	H	α-helix	trans	-65.3	-36.7	175.5	-71.8	179	-175.8	0	0	111.8	G133 D134	G133-E137 WeakPolarHBondContact O-CG 3.3Å; G133-E137 PolarHBondContact O-N 3.1Å; D134-E137 PolarHBondContact O-N 2.81Å
138	T	92.5	Very high	94.7	Very high	60 Å²	60	75.8 Å²	75.8	37%	0.368	36%	0.362	S	S	.	.	H	α-helix	trans	-71.9	-46.2	-178.8	-64.4	0	0	0	0	113	D134 L135 W136 I191 S195	D134-T138 VanDerWaalsContact O-CB 3.23Å; D134-T138 WeakPolarHBondContact O-CB 3.3Å; D134-T138 PolarHBondContact O-N 3.43Å; D134-T138 PolarHBondContact O-OG1 3.21Å; L135-T138 PolarHBondContact O-N 2.68Å; W136-T138 VanDerWaalsContact C-N 3.31Å; T138-I191 HydrophobicContact CG2-CG2 4.49Å; T138-S195 WeakPolarHBondContact CG2-OG 3.29Å
139	C	93.2	Very high	94.6	Very high	39 Å²	39	77.9 Å²	77.9	26%	0.264	37%	0.371	S	S	.	.	H	α-helix	trans	-144.9	8.4	-166.9	62	0	0	0	0	114.9	L135 I141	L135-C139 PolarHBondContact O-N 3.05Å; L135-C139 PolarHBondContact O-SG 3.37Å; C139-I141 HydrophobicContact CB-CD1 4.43Å; C139-I141 HydrophobicContact CB-CG1 4.38Å; C139-I141 PolarHBondContact O-N 3.32Å; C139-I141 VanDerWaalsContact SG-CD1 3.59Å
140	H	95.6	Very high	94.7	Very high	132 Å²	132	72 Å²	72	61%	0.611	34%	0.339	S	S	*	.			trans	56.1	33.4	178.9	-54	-48.5	0	0	0	114.2	W136	W136-H140 VanDerWaalsContact CE3-C 3.44Å; W136-H140 HydrophobicContact CE3-CB 4.49Å; W136-H140 HydrophobicContact CH2-CB 4.45Å; W136-H140 HydrophobicContact CZ3-CB 4.37Å; W136-H140 WeakPolarHBondContact CZ3-O 2.84Å; W136-H140 WeakPolarHBondContact O-CA 3.39Å; W136-H140 PolarHBondContact O-N 2.76Å; W136-H140 PolarHBondContact O-ND1 2.99Å
141	I	95.9	Very high	94.7	Very high	12 Å²	12	64.8 Å²	64.8	6%	0.062	31%	0.313	C	S	.	.			trans	-98.7	115.2	173.4	-58.2	178	0	0	0	108.8	L135 C139 L143 C245 M246 A249	L135-I141 HydrophobicContact CD2-CB 4.21Å; L135-I141 HydrophobicContact CD2-CG2 4.24Å; L135-I141 HydrophobicContact CG-CB 4.34Å; C139-I141 HydrophobicContact CB-CD1 4.43Å; C139-I141 HydrophobicContact CB-CG1 4.38Å; C139-I141 PolarHBondContact O-N 3.32Å; C139-I141 VanDerWaalsContact SG-CD1 3.59Å; I141-L143 HydrophobicContact CG2-CD2 4.3Å; I141-C245 HydrophobicContact CD1-CB 3.88Å; I141-C245 WeakPolarHBondContact CD1-O 3.5Å; I141-C245 HydrophobicContact CG1-CB 3.95Å; I141-C245 HydrophobicContact CG2-CB 4.12Å; I141-M246 HydrophobicContact CD1-CG 4.45Å; I141-M246 HydrophobicContact CG2-CG 4.03Å; I141-A249 HydrophobicContact CD1-CB 3.79Å
142	G	94.6	Very high	94.8	Very high	39 Å²	39	66 Å²	66	40%	0.402	32%	0.32	S	S	.	.			trans	-92.8	140.2	175.3	0	0	0	0	0	112	H242	G142-H242 WeakPolarHBondContact O-CB 3.47Å
143	L	94.8	Very high	94.8	Very high	19 Å²	19	64.4 Å²	64.4	10%	0.099	31%	0.313	C	S	.	.			trans	-111.6	120.2	178.1	-60.5	-170.8	0	0	0	112.3	K132 L135 I141 A150 L154 H242 M246	K132-L143 HydrophobicContact CD-CB 4.47Å; K132-L143 PolarHBondContact NZ-O 2.98Å; K132-L143 VanDerWaalsContact NZ-O 3.16Å; L135-L143 HydrophobicContact CD2-CD1 4.13Å; L135-L143 HydrophobicContact CD2-CD2 4.35Å; L135-L143 HydrophobicContact CD2-CG 4.04Å; I141-L143 HydrophobicContact CG2-CD2 4.3Å; L143-A150 HydrophobicContact CD2-CB 4.25Å; L143-L154 HydrophobicContact CD1-CB 3.7Å; L143-L154 HydrophobicContact CD1-CD2 3.52Å; L143-L154 HydrophobicContact CD1-CG 4.2Å; L143-H242 HydrophobicContact CD2-CB 4.14Å; L143-M246 HydrophobicContact CD2-CE 3.84Å; L143-M246 HydrophobicContact CD2-SD 3.82Å
144	P	93.9	Very high	94.9	Very high	37 Å²	37	63 Å²	63	24%	0.24	30%	0.299	C	S	.	.			trans	-58.1	141.7	175.7	-22.3	32.6	0	0	0	112.6	H146 D147 N151	P144-H146 VanDerWaalsContact C-N 3.31Å; P144-H146 VanDerWaalsContact CB-CE1 3.47Å; P144-H146 WeakPolarHBondContact CB-CE1 3.19Å; P144-H146 PolarHBondContact O-N 2.86Å; P144-D147 HydrophobicContact CB-CB 4.4Å; P144-D147 PolarHBondContact O-N 3.3Å; P144-N151 PolarHBondContact O-ND2 3.21Å
145	Y	88.6	Confident	95.1	Very high	196 Å²	196	61.3 Å²	61.3	77%	0.769	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-37.8	179.3	178.9	-96.8	0	0	0	112.9	D147 N151	Y145-D147 VanDerWaalsContact C-N 3.33Å; Y145-D147 PolarHBondContact O-N 2.88Å; Y145-N151 PolarHBondContact O-ND2 3.43Å; Y145-N151 VanDerWaalsContact O-ND2 3.07Å
146	H	92.1	Very high	95.2	Very high	153 Å²	153	61.3 Å²	61.3	71%	0.708	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-16.1	-176.7	62.4	-90.8	0	0	0	113.9	P144 R148	P144-H146 VanDerWaalsContact C-N 3.31Å; P144-H146 VanDerWaalsContact CB-CE1 3.47Å; P144-H146 WeakPolarHBondContact CB-CE1 3.19Å; P144-H146 PolarHBondContact O-N 2.86Å; H146-R148 PolarHBondContact O-N 3.13Å; H146-R148 VanDerWaalsContact O-N 3.11Å
147	D	94.7	Very high	95.3	Very high	15 Å²	15	54.7 Å²	54.7	8%	0.08	27%	0.265	C	S	.	.			trans	-84.6	87.7	178.9	-168.8	-18.5	0	0	0	110.8	P144 Y145 E149 A150 N151 H242 R243	P144-D147 HydrophobicContact CB-CB 4.4Å; P144-D147 PolarHBondContact O-N 3.3Å; Y145-D147 VanDerWaalsContact C-N 3.33Å; Y145-D147 PolarHBondContact O-N 2.88Å; D147-E149 VanDerWaalsContact C-N 3.31Å; D147-E149 PolarHBondContact O-N 3.48Å; D147-E149 PolarHBondContact OD1-N 3.43Å; D147-E149 VanDerWaalsContact OD1-N 3.15Å; D147-A150 HydrophobicContact CB-CB 4.12Å; D147-A150 PolarHBondContact O-N 3.01Å; D147-A150 PolarHBondContact OD1-N 3.26Å; D147-A150 VanDerWaalsContact OD1-N 3.13Å; D147-N151 PolarHBondContact O-N 3.28Å; D147-N151 VanDerWaalsContact O-N 3.1Å; D147-N151 PolarHBondContact O-ND2 3.42Å; D147-H242 IonicContact OD2-CD2 3.16Å; D147-H242 IonicContact OD2-CE1 2.66Å; D147-H242 IonicContact OD2-NE2 2.88Å; D147-H242 PolarHBondContact OD2-NE2 2.71Å; D147-R243 VanDerWaalsContact CG-NH2 3.28Å; D147-R243 IonicContact OD1-CZ 2.64Å; D147-R243 IonicContact OD1-NE 2.78Å; D147-R243 IonicContact OD1-NH2 3.1Å; D147-R243 PolarHBondContact OD1-NH2 3.16Å; D147-R243 IonicContact OD2-CZ 2.67Å; D147-R243 VanDerWaalsContact OD2-CZ 3.31Å; D147-R243 IonicContact OD2-NE 2.71Å; D147-R243 PolarHBondContact OD2-NE 2.86Å; D147-R243 IonicContact OD2-NH2 3.38Å; D147-R243 PolarHBondContact OD2-NH2 2.99Å
148	R	95.1	Very high	95.5	Very high	185 Å²	185	47.7 Å²	47.7	70%	0.698	23%	0.232	S	C	*	.	H	α-helix	trans	-58.8	-39.2	179	-177.9	174.5	176.3	167.1	2.7	113	H146 N151 D152	H146-R148 PolarHBondContact O-N 3.13Å; H146-R148 VanDerWaalsContact O-N 3.11Å; R148-N151 PolarHBondContact O-N 2.96Å; R148-D152 WeakPolarHBondContact CG-OD2 3.38Å; R148-D152 IonicContact NE-OD2 2.62Å; R148-D152 PolarHBondContact NE-OD2 3.16Å; R148-D152 WeakPolarHBondContact O-CB 3.25Å; R148-D152 PolarHBondContact O-N 3.37Å
149	E	95.3	Very high	95.7	Very high	67 Å²	67	44.9 Å²	44.9	31%	0.313	21%	0.214	S	C	.	.	H	α-helix	trans	-66	-43.4	-177.2	-171.5	-176.6	178.9	0	0	111.2	D147 N151 S153 W184 Q185 R243	D147-E149 VanDerWaalsContact C-N 3.31Å; D147-E149 PolarHBondContact O-N 3.48Å; D147-E149 PolarHBondContact OD1-N 3.43Å; D147-E149 VanDerWaalsContact OD1-N 3.15Å; E149-N151 VanDerWaalsContact C-N 3.35Å; E149-S153 VanDerWaalsContact O-CB 3.23Å; E149-S153 WeakPolarHBondContact O-CB 3.3Å; E149-S153 PolarHBondContact O-N 2.8Å; E149-W184 HydrophobicContact CG-CH2 3.88Å; E149-W184 HydrophobicContact CG-CZ2 4.22Å; E149-W184 WeakPolarHBondContact OE1-CZ2 3.1Å; E149-Q185 PolarHBondContact OE1-NE2 3.03Å; E149-R243 IonicContact OE2-CZ 2.86Å; E149-R243 IonicContact OE2-NH1 3.87Å; E149-R243 PolarHBondContact OE2-NH1 2.52Å; E149-R243 IonicContact OE2-NH2 2.65Å; E149-R243 PolarHBondContact OE2-NH2 2.71Å
150	A	96.5	Very high	96	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.9	-39.5	175.2	0	0	0	0	0	112.1	L143 D147 L154 M246	L143-A150 HydrophobicContact CD2-CB 4.25Å; D147-A150 HydrophobicContact CB-CB 4.12Å; D147-A150 PolarHBondContact O-N 3.01Å; D147-A150 PolarHBondContact OD1-N 3.26Å; D147-A150 VanDerWaalsContact OD1-N 3.13Å; A150-L154 PolarHBondContact O-N 3.01Å; A150-M246 HydrophobicContact CB-CE 3.86Å
151	N	97.2	Very high	96.1	Very high	9 Å²	9	36.7 Å²	36.7	5%	0.048	17%	0.173	C	C	.	.	H	α-helix	trans	-66.2	-46	177.2	-66.9	-34.7	0	0	0	112	L128 K132 P144 Y145 D147 R148 E149 S153 L154 I155	L128-N151 HydrophobicContact CD1-CB 4.1Å; L128-N151 HydrophobicContact CD2-CB 3.94Å; K132-N151 WeakPolarHBondContact CE-OD1 3.13Å; K132-N151 PolarHBondContact NZ-OD1 2.66Å; P144-N151 PolarHBondContact O-ND2 3.21Å; Y145-N151 PolarHBondContact O-ND2 3.43Å; Y145-N151 VanDerWaalsContact O-ND2 3.07Å; D147-N151 PolarHBondContact O-N 3.28Å; D147-N151 VanDerWaalsContact O-N 3.1Å; D147-N151 PolarHBondContact O-ND2 3.42Å; R148-N151 PolarHBondContact O-N 2.96Å; E149-N151 VanDerWaalsContact C-N 3.35Å; N151-S153 VanDerWaalsContact C-N 3.32Å; N151-S153 PolarHBondContact O-N 3.16Å; N151-L154 PolarHBondContact O-N 2.99Å; N151-I155 WeakPolarHBondContact O-CG1 3.48Å; N151-I155 PolarHBondContact O-N 2.88Å
152	D	97.3	Very high	96.1	Very high	35 Å²	35	38.5 Å²	38.5	19%	0.187	18%	0.179	C	C	.	.	H	α-helix	trans	-65.8	-37.3	179.1	-66.5	-12.6	0	0	0	110.6	W36 I121 R148 I155 L156	W36-D152 HydrophobicContact CH2-CB 3.72Å; W36-D152 HydrophobicContact CZ3-CB 4.38Å; I121-D152 HydrophobicContact CD1-CB 4.3Å; I121-D152 HydrophobicContact CG2-CB 4.12Å; R148-D152 WeakPolarHBondContact CG-OD2 3.38Å; R148-D152 IonicContact NE-OD2 2.62Å; R148-D152 PolarHBondContact NE-OD2 3.16Å; R148-D152 WeakPolarHBondContact O-CB 3.25Å; R148-D152 PolarHBondContact O-N 3.37Å; D152-I155 PolarHBondContact O-N 2.97Å; D152-L156 WeakPolarHBondContact O-CB 3.28Å; D152-L156 PolarHBondContact O-N 3.02Å
153	S	97.4	Very high	96.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61	-42.1	172.2	172.1	0	0	0	0	112.7	E149 N151 G157 Q185 P188	E149-S153 VanDerWaalsContact O-CB 3.23Å; E149-S153 WeakPolarHBondContact O-CB 3.3Å; E149-S153 PolarHBondContact O-N 2.8Å; N151-S153 VanDerWaalsContact C-N 3.32Å; N151-S153 PolarHBondContact O-N 3.16Å; S153-G157 PolarHBondContact O-N 2.83Å; S153-Q185 WeakPolarHBondContact CB-O 3.38Å; S153-Q185 VanDerWaalsContact OG-C 3.29Å; S153-Q185 WeakPolarHBondContact OG-CA 3.44Å; S153-Q185 PolarHBondContact OG-O 3.47Å; S153-P188 WeakPolarHBondContact OG-CD 3.23Å; S153-P188 WeakPolarHBondContact OG-CG 3.39Å
154	L	97.9	Very high	96.4	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-65.8	-43.9	175.5	176.8	59.7	0	0	0	111.9	L128 W131 K132 L135 L143 A150 N151 L156 G157 S158 P188 L192	L128-L154 HydrophobicContact CD1-CD2 4.31Å; W131-L154 HydrophobicContact CB-CD2 4.19Å; W131-L154 HydrophobicContact CB-CG 4.25Å; K132-L154 HydrophobicContact CB-CD2 4.49Å; K132-L154 HydrophobicContact CG-CD2 3.81Å; L135-L154 HydrophobicContact CB-CD1 4.25Å; L135-L154 HydrophobicContact CD1-CD1 4.36Å; L135-L154 HydrophobicContact CD2-CD1 4.12Å; L135-L154 HydrophobicContact CD2-CD2 4.27Å; L135-L154 HydrophobicContact CG-CD1 4.48Å; L143-L154 HydrophobicContact CD1-CB 3.7Å; L143-L154 HydrophobicContact CD1-CD2 3.52Å; L143-L154 HydrophobicContact CD1-CG 4.2Å; A150-L154 PolarHBondContact O-N 3.01Å; N151-L154 PolarHBondContact O-N 2.99Å; L154-L156 VanDerWaalsContact C-N 3.35Å; L154-L156 PolarHBondContact O-N 3.33Å; L154-G157 PolarHBondContact O-N 2.86Å; L154-S158 WeakPolarHBondContact O-CB 3.41Å; L154-S158 PolarHBondContact O-N 3.32Å; L154-S158 PolarHBondContact O-OG 3.21Å; L154-S158 VanDerWaalsContact O-OG 3.07Å; L154-P188 HydrophobicContact CD1-CB 4.2Å; L154-L192 HydrophobicContact CD1-CD1 4.29Å
155	I	98.1	Very high	96.5	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-58.8	-49.3	176.8	-69.5	162	0	0	0	110.2	I121 A124 A125 L128 W131 N151 D152 G157 S158 L159	I121-I155 HydrophobicContact CB-CG2 4.06Å; I121-I155 HydrophobicContact CG1-CG2 4.28Å; I121-I155 HydrophobicContact CG2-CB 3.88Å; I121-I155 HydrophobicContact CG2-CD1 3.86Å; I121-I155 HydrophobicContact CG2-CG1 4.5Å; I121-I155 HydrophobicContact CG2-CG2 3.6Å; A124-I155 HydrophobicContact CB-CG2 3.9Å; A125-I155 HydrophobicContact CB-CD1 4.38Å; L128-I155 HydrophobicContact CB-CD1 4.33Å; L128-I155 HydrophobicContact CB-CG1 4.4Å; L128-I155 HydrophobicContact CD1-CD1 4.14Å; L128-I155 HydrophobicContact CD1-CG1 3.91Å; W131-I155 HydrophobicContact CE3-CB 4.46Å; W131-I155 HydrophobicContact CE3-CG1 4.12Å; W131-I155 HydrophobicContact CZ3-CB 4.14Å; W131-I155 HydrophobicContact CZ3-CG1 4.08Å; W131-I155 HydrophobicContact CZ3-CG2 3.85Å; N151-I155 WeakPolarHBondContact O-CG1 3.48Å; N151-I155 PolarHBondContact O-N 2.88Å; D152-I155 PolarHBondContact O-N 2.97Å; I155-G157 PolarHBondContact O-N 2.67Å; I155-S158 PolarHBondContact O-N 3.32Å; I155-L159 HydrophobicContact CG2-CD1 3.98Å; I155-L159 WeakPolarHBondContact O-CG 3.49Å; I155-L159 PolarHBondContact O-N 3.1Å
156	L	98.3	Very high	96.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-57.3	-49.7	177	179.2	63.8	0	0	0	111.2	W36 F119 I121 D152 L154 S158 L159 I160	W36-L156 HydrophobicContact CE3-CD2 3.54Å; W36-L156 HydrophobicContact CZ3-CB 4.28Å; W36-L156 HydrophobicContact CZ3-CD2 3.76Å; F119-L156 HydrophobicContact CB-CD1 3.98Å; F119-L156 HydrophobicContact CD2-CD1 4.07Å; F119-L156 HydrophobicContact CG-CD1 4.36Å; I121-L156 HydrophobicContact CD1-CB 4.06Å; I121-L156 HydrophobicContact CG1-CB 4.33Å; D152-L156 WeakPolarHBondContact O-CB 3.28Å; D152-L156 PolarHBondContact O-N 3.02Å; L154-L156 VanDerWaalsContact C-N 3.35Å; L154-L156 PolarHBondContact O-N 3.33Å; L156-S158 VanDerWaalsContact C-N 3.33Å; L156-S158 PolarHBondContact O-N 3.4Å; L156-L159 PolarHBondContact O-N 2.9Å; L156-I160 HydrophobicContact CD1-CD1 3.79Å; L156-I160 HydrophobicContact CD1-CG1 4.27Å; L156-I160 HydrophobicContact CD2-CD1 4.44Å; L156-I160 HydrophobicContact CG-CD1 3.74Å; L156-I160 WeakPolarHBondContact O-CB 3.31Å; L156-I160 VanDerWaalsContact O-CG1 3.26Å; L156-I160 WeakPolarHBondContact O-CG1 3.46Å; L156-I160 PolarHBondContact O-N 3.43Å
157	G	97.8	Very high	97	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-60.6	-40.5	179.3	0	0	0	0	0	113.2	S153 L154 I155 I160 A161 G189	S153-G157 PolarHBondContact O-N 2.83Å; L154-G157 PolarHBondContact O-N 2.86Å; I155-G157 PolarHBondContact O-N 2.67Å; G157-I160 PolarHBondContact O-N 3.2Å; G157-A161 WeakPolarHBondContact O-CB 3.38Å; G157-A161 PolarHBondContact O-N 2.83Å; G157-G189 VanDerWaalsContact CA-CA 3.45Å; G157-G189 VanDerWaalsContact CA-N 3.3Å; G157-G189 VanDerWaalsContact O-CA 3.3Å; G157-G189 WeakPolarHBondContact O-CA 3.38Å
158	S	97.9	Very high	96.9	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.007	10%	0.1	C	C	.	.	H	α-helix	trans	-65.4	-41.8	176.8	-68.9	0	0	0	0	112.8	W131 L154 I155 L156 A161 W162 L192	W131-S158 VanDerWaalsContact CG-OG 3.29Å; L154-S158 WeakPolarHBondContact O-CB 3.41Å; L154-S158 PolarHBondContact O-N 3.32Å; L154-S158 PolarHBondContact O-OG 3.21Å; L154-S158 VanDerWaalsContact O-OG 3.07Å; I155-S158 PolarHBondContact O-N 3.32Å; L156-S158 VanDerWaalsContact C-N 3.33Å; L156-S158 PolarHBondContact O-N 3.4Å; S158-A161 PolarHBondContact O-N 2.88Å; S158-W162 WeakPolarHBondContact O-CB 3.38Å; S158-W162 PolarHBondContact O-N 3.35Å; S158-L192 WeakPolarHBondContact OG-CD1 3.48Å
159	L	98.4	Very high	96.8	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-63.8	-42	174.7	-70.7	170.7	0	0	0	111.5	L96 C101 F119 A124 W131 I155 L156 W162 F163	L96-L159 HydrophobicContact CD2-CB 4.48Å; L96-L159 HydrophobicContact CD2-CD2 4.07Å; C101-L159 HydrophobicContact CB-CD2 4.11Å; F119-L159 HydrophobicContact CB-CB 4.44Å; F119-L159 HydrophobicContact CB-CD1 3.93Å; F119-L159 HydrophobicContact CD1-CB 3.77Å; F119-L159 HydrophobicContact CD1-CD1 4.42Å; F119-L159 HydrophobicContact CE1-CB 4.32Å; F119-L159 HydrophobicContact CG-CB 4.22Å; A124-L159 HydrophobicContact CB-CD1 3.79Å; A124-L159 HydrophobicContact CB-CD2 3.87Å; A124-L159 HydrophobicContact CB-CG 4.14Å; W131-L159 HydrophobicContact CH2-CD2 3.97Å; W131-L159 HydrophobicContact CH2-CG 4.07Å; I155-L159 HydrophobicContact CG2-CD1 3.98Å; I155-L159 WeakPolarHBondContact O-CG 3.49Å; I155-L159 PolarHBondContact O-N 3.1Å; L156-L159 PolarHBondContact O-N 2.9Å; L159-W162 PolarHBondContact O-N 2.87Å; L159-F163 WeakPolarHBondContact O-CB 3.23Å; L159-F163 PolarHBondContact O-N 3.14Å
160	I	98	Very high	96.5	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-65.7	-45	177.6	-70.6	171.6	0	0	0	111.2	V34 M67 F119 L156 G157 W162 F163 F164 F181	V34-I160 HydrophobicContact CG1-CD1 3.47Å; V34-I160 VanDerWaalsContact CG1-CD1 3.47Å; M67-I160 HydrophobicContact SD-CG2 4.49Å; F119-I160 HydrophobicContact CD2-CG1 3.93Å; F119-I160 HydrophobicContact CE2-CD1 4.43Å; F119-I160 HydrophobicContact CE2-CG1 3.6Å; F119-I160 HydrophobicContact CZ-CG1 4.1Å; L156-I160 HydrophobicContact CD1-CD1 3.79Å; L156-I160 HydrophobicContact CD1-CG1 4.27Å; L156-I160 HydrophobicContact CD2-CD1 4.44Å; L156-I160 HydrophobicContact CG-CD1 3.74Å; L156-I160 WeakPolarHBondContact O-CB 3.31Å; L156-I160 VanDerWaalsContact O-CG1 3.26Å; L156-I160 WeakPolarHBondContact O-CG1 3.46Å; L156-I160 PolarHBondContact O-N 3.43Å; G157-I160 PolarHBondContact O-N 3.2Å; I160-W162 VanDerWaalsContact C-N 3.29Å; I160-W162 PolarHBondContact O-N 2.8Å; I160-F163 PolarHBondContact O-N 3.44Å; I160-F164 HydrophobicContact CG2-CD2 3.58Å; I160-F164 HydrophobicContact CG2-CE2 3.32Å; I160-F164 HydrophobicContact CG2-CZ 4.36Å; I160-F164 VanDerWaalsContact O-CD2 3.25Å; I160-F164 WeakPolarHBondContact O-CD2 3.49Å; I160-F164 PolarHBondContact O-N 3.3Å; I160-F181 HydrophobicContact CG2-CE1 4.12Å; I160-F181 HydrophobicContact CG2-CZ 4.43Å
161	A	97.5	Very high	96	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-64.4	-35	176.7	0	0	0	0	0	111.8	G157 S158 K165 L192 I198	G157-A161 WeakPolarHBondContact O-CB 3.38Å; G157-A161 PolarHBondContact O-N 2.83Å; S158-A161 PolarHBondContact O-N 2.88Å; A161-K165 WeakPolarHBondContact O-CB 3.46Å; A161-K165 PolarHBondContact O-N 3.14Å; A161-K165 VanDerWaalsContact O-N 3.11Å; A161-L192 HydrophobicContact CB-CB 3.82Å; A161-I198 VanDerWaalsContact O-CD1 3.3Å; A161-I198 WeakPolarHBondContact O-CD1 3.2Å
162	W	97.6	Very high	95	Very high	49 Å²	49	23.1 Å²	23.1	19%	0.186	12%	0.124	C	C	.	.	H	α-helix	trans	-66.1	-49.4	172.4	-171.6	-1.8	0	0	0	111	L96 N99 S158 L159 I160 F164 K165 E166	L96-W162 HydrophobicContact CD1-CD2 4.45Å; L96-W162 HydrophobicContact CD1-CG 4.19Å; L96-W162 HydrophobicContact CG-CD2 4.08Å; L96-W162 HydrophobicContact CG-CE3 4.34Å; L96-W162 HydrophobicContact CG-CG 4.24Å; N99-W162 HydrophobicContact CB-CH2 3.44Å; N99-W162 VanDerWaalsContact CB-CH2 3.44Å; N99-W162 HydrophobicContact CB-CZ2 3.82Å; N99-W162 HydrophobicContact CB-CZ3 4.5Å; S158-W162 WeakPolarHBondContact O-CB 3.38Å; S158-W162 PolarHBondContact O-N 3.35Å; L159-W162 PolarHBondContact O-N 2.87Å; I160-W162 VanDerWaalsContact C-N 3.29Å; I160-W162 PolarHBondContact O-N 2.8Å; W162-F164 VanDerWaalsContact C-N 3.32Å; W162-F164 PolarHBondContact O-N 3.35Å; W162-K165 WeakPolarHBondContact O-CB 3.49Å; W162-K165 PolarHBondContact O-N 3.25Å; W162-E166 PolarHBondContact NE1-OE1 3.14Å; W162-E166 PolarHBondContact O-N 3.06Å
163	F	98.1	Very high	93.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-54.5	-47.5	176	173	-90.3	0	0	0	111.9	F32 M67 I89 A92 M93 L96 I117 F119 L159 I160 K165 E166 L167	F32-F163 HydrophobicContact CD1-CE1 4.43Å; F32-F163 AromaticContact CE1-CE1 3.81Å; F32-F163 HydrophobicContact CE1-CE1 3.81Å; F32-F163 HydrophobicContact CE1-CZ 4.26Å; F32-F163 HydrophobicContact CZ-CE1 4.29Å; M67-F163 HydrophobicContact CE-CD1 3.25Å; M67-F163 HydrophobicContact CE-CE1 3.4Å; M67-F163 HydrophobicContact CE-CG 3.89Å; M67-F163 HydrophobicContact CE-CZ 4.14Å; I89-F163 HydrophobicContact CD1-CZ 3.94Å; I89-F163 HydrophobicContact CG2-CZ 4.42Å; A92-F163 HydrophobicContact CB-CD2 3.85Å; A92-F163 HydrophobicContact CB-CE2 3.58Å; A92-F163 HydrophobicContact CB-CZ 4.21Å; M93-F163 HydrophobicContact CG-CD2 4.45Å; M93-F163 HydrophobicContact CG-CE2 3.95Å; L96-F163 HydrophobicContact CD1-CB 4.2Å; L96-F163 HydrophobicContact CD2-CB 4.39Å; I117-F163 HydrophobicContact CD1-CE1 4.19Å; I117-F163 HydrophobicContact CD1-CE2 4.29Å; I117-F163 HydrophobicContact CD1-CZ 3.7Å; F119-F163 HydrophobicContact CE1-CB 4.04Å; F119-F163 HydrophobicContact CE1-CG 4.47Å; F119-F163 HydrophobicContact CZ-CB 3.94Å; F119-F163 HydrophobicContact CZ-CD2 4.45Å; F119-F163 HydrophobicContact CZ-CG 4.09Å; L159-F163 WeakPolarHBondContact O-CB 3.23Å; L159-F163 PolarHBondContact O-N 3.14Å; I160-F163 PolarHBondContact O-N 3.44Å; F163-K165 VanDerWaalsContact C-N 3.28Å; F163-K165 PolarHBondContact O-N 2.64Å; F163-E166 PolarHBondContact O-N 2.96Å; F163-L167 HydrophobicContact CE1-CB 4.38Å; F163-L167 HydrophobicContact CE1-CD2 4.07Å; F163-L167 HydrophobicContact CZ-CD1 4.47Å; F163-L167 VanDerWaalsContact O-CB 3.28Å; F163-L167 WeakPolarHBondContact O-CB 3.34Å; F163-L167 PolarHBondContact O-N 3.15Å
164	F	97.4	Very high	92.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-63.2	-35.7	178.3	-77.9	-52.6	0	0	0	112.6	F32 M67 I160 W162 L167 T168 V177 F181 I198 M200	F32-F164 HydrophobicContact CB-CE1 3.87Å; F32-F164 HydrophobicContact CB-CZ 3.67Å; F32-F164 HydrophobicContact CD1-CE1 4.01Å; F32-F164 HydrophobicContact CD1-CZ 4.37Å; F32-F164 AromaticContact CD2-CE1 3.7Å; F32-F164 HydrophobicContact CD2-CE1 3.7Å; F32-F164 HydrophobicContact CD2-CZ 4.38Å; F32-F164 HydrophobicContact CE1-CE1 4.49Å; F32-F164 HydrophobicContact CE2-CE1 4.19Å; F32-F164 AromaticContact CG-CE1 3.58Å; F32-F164 HydrophobicContact CG-CE1 3.58Å; F32-F164 AromaticContact CG-CZ 3.91Å; F32-F164 HydrophobicContact CG-CZ 3.91Å; M67-F164 HydrophobicContact SD-CE1 4.27Å; M67-F164 HydrophobicContact SD-CE2 4.21Å; M67-F164 HydrophobicContact SD-CZ 3.68Å; I160-F164 HydrophobicContact CG2-CD2 3.58Å; I160-F164 HydrophobicContact CG2-CE2 3.32Å; I160-F164 HydrophobicContact CG2-CZ 4.36Å; I160-F164 VanDerWaalsContact O-CD2 3.25Å; I160-F164 WeakPolarHBondContact O-CD2 3.49Å; I160-F164 PolarHBondContact O-N 3.3Å; W162-F164 VanDerWaalsContact C-N 3.32Å; W162-F164 PolarHBondContact O-N 3.35Å; F164-L167 HydrophobicContact CD1-CD2 4.18Å; F164-L167 PolarHBondContact O-N 3.47Å; F164-T168 WeakPolarHBondContact O-CG2 3.31Å; F164-T168 PolarHBondContact O-N 2.87Å; F164-T168 PolarHBondContact O-OG1 3.19Å; F164-V177 HydrophobicContact CD1-CG1 4.23Å; F164-V177 HydrophobicContact CE1-CG1 4.07Å; F164-F181 AromaticContact CE2-CZ 3.96Å; F164-F181 HydrophobicContact CE2-CZ 3.96Å; F164-I198 HydrophobicContact CB-CD1 4.25Å; F164-I198 HydrophobicContact CB-CG2 4.21Å; F164-M200 HydrophobicContact CB-CE 3.99Å; F164-M200 HydrophobicContact CB-SD 4.27Å; F164-M200 HydrophobicContact CD1-SD 3.97Å; F164-M200 HydrophobicContact CD2-CE 3.66Å; F164-M200 HydrophobicContact CD2-SD 4.01Å; F164-M200 HydrophobicContact CE1-SD 4.31Å; F164-M200 HydrophobicContact CE2-CE 4.26Å; F164-M200 HydrophobicContact CE2-SD 4.32Å; F164-M200 HydrophobicContact CG-CE 3.84Å; F164-M200 HydrophobicContact CG-SD 3.84Å; F164-M200 HydrophobicContact CZ-SD 4.48Å
165	K	95.6	Very high	91.3	Very high	83 Å²	83	36 Å²	36	36%	0.361	19%	0.189	S	C	.	.	H	α-helix	trans	-61.7	-52.8	176.2	179.5	54.4	178	145.4	0	111	A161 W162 F163 L167 T168 D169 I198	A161-K165 WeakPolarHBondContact O-CB 3.46Å; A161-K165 PolarHBondContact O-N 3.14Å; A161-K165 VanDerWaalsContact O-N 3.11Å; W162-K165 WeakPolarHBondContact O-CB 3.49Å; W162-K165 PolarHBondContact O-N 3.25Å; F163-K165 VanDerWaalsContact C-N 3.28Å; F163-K165 PolarHBondContact O-N 2.64Å; K165-L167 VanDerWaalsContact C-N 3.3Å; K165-L167 PolarHBondContact O-N 2.65Å; K165-T168 PolarHBondContact O-N 3.42Å; K165-T168 PolarHBondContact O-OG1 3.02Å; K165-D169 WeakPolarHBondContact CE-OD2 3.31Å; K165-D169 IonicContact NZ-OD1 2.79Å; K165-D169 PolarHBondContact NZ-OD1 3.47Å; K165-D169 IonicContact NZ-OD2 3.04Å; K165-D169 PolarHBondContact NZ-OD2 3.25Å; K165-D169 WeakPolarHBondContact O-CB 3.47Å; K165-D169 VanDerWaalsContact O-CG 3.25Å; K165-D169 PolarHBondContact O-N 2.79Å; K165-I198 HydrophobicContact CB-CD1 4.01Å
166	E	95.9	Very high	90.6	Very high	48 Å²	48	36.4 Å²	36.4	22%	0.224	19%	0.191	C	C	.	.	H	α-helix	trans	-59.8	-41.3	177.2	-60.8	-64.8	159.7	0	0	111.7	A92 A95 L96 W162 F163 D169 H170	A92-E166 HydrophobicContact CB-CB 3.98Å; A95-E166 HydrophobicContact CB-CB 4.34Å; A95-E166 HydrophobicContact CB-CG 3.76Å; L96-E166 HydrophobicContact CD1-CG 4.33Å; W162-E166 PolarHBondContact NE1-OE1 3.14Å; W162-E166 PolarHBondContact O-N 3.06Å; F163-E166 PolarHBondContact O-N 2.96Å; E166-D169 PolarHBondContact O-N 3.41Å; E166-H170 PolarHBondContact O-CD2 3.32Å; E166-H170 PolarHBondContact O-N 3.35Å; E166-H170 VanDerWaalsContact O-N 3.14Å
167	L	95.3	Very high	90.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.4	-54.8	176.9	-177.1	73.4	0	0	0	111	F32 V88 I89 A92 F163 F164 K165 D169 H170 L171 V177	F32-L167 HydrophobicContact CE1-CD2 4.33Å; F32-L167 HydrophobicContact CE2-CD2 3.62Å; F32-L167 HydrophobicContact CZ-CD2 3.41Å; F32-L167 VanDerWaalsContact CZ-CD2 3.41Å; V88-L167 HydrophobicContact CG1-CD1 3.78Å; I89-L167 HydrophobicContact CD1-CD1 3.87Å; A92-L167 HydrophobicContact CB-CB 4.18Å; A92-L167 HydrophobicContact CB-CD1 4.45Å; F163-L167 HydrophobicContact CE1-CB 4.38Å; F163-L167 HydrophobicContact CE1-CD2 4.07Å; F163-L167 HydrophobicContact CZ-CD1 4.47Å; F163-L167 VanDerWaalsContact O-CB 3.28Å; F163-L167 WeakPolarHBondContact O-CB 3.34Å; F163-L167 PolarHBondContact O-N 3.15Å; F164-L167 HydrophobicContact CD1-CD2 4.18Å; F164-L167 PolarHBondContact O-N 3.47Å; K165-L167 VanDerWaalsContact C-N 3.3Å; K165-L167 PolarHBondContact O-N 2.65Å; L167-D169 VanDerWaalsContact C-N 3.29Å; L167-D169 PolarHBondContact O-N 3.16Å; L167-H170 PolarHBondContact O-N 3.1Å; L167-H170 VanDerWaalsContact O-N 3.14Å; L167-L171 HydrophobicContact CD1-CD1 4.2Å; L167-L171 HydrophobicContact CD1-CG 4.45Å; L167-L171 HydrophobicContact CD2-CD1 4.23Å; L167-L171 HydrophobicContact CG-CD1 3.76Å; L167-L171 HydrophobicContact CG-CG 4.33Å; L167-L171 VanDerWaalsContact O-CG 3.29Å; L167-L171 WeakPolarHBondContact O-CG 3.37Å; L167-L171 PolarHBondContact O-N 3.31Å; L167-V177 HydrophobicContact CD2-CG2 4.13Å
168	T	92.9	Very high	90.4	Very high	10 Å²	10	36.5 Å²	36.5	6%	0.061	19%	0.192	C	C	.	.	H	α-helix	trans	-64.3	-33.8	-177.5	53.4	0	0	0	0	112.8	F164 K165 H170 L171 G172 V177 I198 P199	F164-T168 WeakPolarHBondContact O-CG2 3.31Å; F164-T168 PolarHBondContact O-N 2.87Å; F164-T168 PolarHBondContact O-OG1 3.19Å; K165-T168 PolarHBondContact O-N 3.42Å; K165-T168 PolarHBondContact O-OG1 3.02Å; T168-H170 VanDerWaalsContact C-N 3.28Å; T168-H170 PolarHBondContact O-N 2.91Å; T168-L171 PolarHBondContact O-N 3.45Å; T168-G172 PolarHBondContact O-N 3.3Å; T168-G172 VanDerWaalsContact O-N 3.16Å; T168-V177 HydrophobicContact CG2-CG2 4.37Å; T168-I198 HydrophobicContact CG2-CG2 3.77Å; T168-P199 HydrophobicContact CG2-CG 3.97Å
169	D	91.8	Very high	90.4	Very high	91 Å²	91	36.4 Å²	36.4	49%	0.487	19%	0.192	S	C	.	.	H	α-helix	trans	-67.9	-30.9	177.2	-71.2	-12	0	0	0	111.8	K165 E166 L167	K165-D169 WeakPolarHBondContact CE-OD2 3.31Å; K165-D169 IonicContact NZ-OD1 2.79Å; K165-D169 PolarHBondContact NZ-OD1 3.47Å; K165-D169 IonicContact NZ-OD2 3.04Å; K165-D169 PolarHBondContact NZ-OD2 3.25Å; K165-D169 WeakPolarHBondContact O-CB 3.47Å; K165-D169 VanDerWaalsContact O-CG 3.25Å; K165-D169 PolarHBondContact O-N 2.79Å; E166-D169 PolarHBondContact O-N 3.41Å; L167-D169 VanDerWaalsContact C-N 3.29Å; L167-D169 PolarHBondContact O-N 3.16Å
170	H	88.8	Confident	90.4	Very high	88 Å²	88	36.4 Å²	36.4	41%	0.407	19%	0.191	S	C	.	.	H	α-helix	trans	-83.8	-26.5	175	-71.8	-40.4	0	0	0	114.5	V88 E166 L167 T168	V88-H170 HydrophobicContact CG1-CB 3.5Å; E166-H170 PolarHBondContact O-CD2 3.32Å; E166-H170 PolarHBondContact O-N 3.35Å; E166-H170 VanDerWaalsContact O-N 3.14Å; L167-H170 PolarHBondContact O-N 3.1Å; L167-H170 VanDerWaalsContact O-N 3.14Å; T168-H170 VanDerWaalsContact C-N 3.28Å; T168-H170 PolarHBondContact O-N 2.91Å
171	L	86.3	Confident	90.4	Very high	25 Å²	25	36.4 Å²	36.4	13%	0.131	19%	0.191	C	C	.	.	H	α-helix	trans	-76.9	-30.4	176.8	-65.3	170.5	0	0	0	111.9	M30 V88 L167 T168 D173 P175 V177	M30-L171 HydrophobicContact SD-CD1 4.09Å; M30-L171 HydrophobicContact SD-CD2 4.17Å; V88-L171 HydrophobicContact CB-CD2 4.01Å; V88-L171 HydrophobicContact CG1-CD2 3.53Å; V88-L171 HydrophobicContact CG1-CG 3.79Å; V88-L171 HydrophobicContact CG2-CD2 4.04Å; L167-L171 HydrophobicContact CD1-CD1 4.2Å; L167-L171 HydrophobicContact CD1-CG 4.45Å; L167-L171 HydrophobicContact CD2-CD1 4.23Å; L167-L171 HydrophobicContact CG-CD1 3.76Å; L167-L171 HydrophobicContact CG-CG 4.33Å; L167-L171 VanDerWaalsContact O-CG 3.29Å; L167-L171 WeakPolarHBondContact O-CG 3.37Å; L167-L171 PolarHBondContact O-N 3.31Å; T168-L171 PolarHBondContact O-N 3.45Å; L171-D173 PolarHBondContact O-N 2.78Å; L171-P175 HydrophobicContact CD1-CG 4.29Å; L171-P175 HydrophobicContact CD2-CG 3.81Å; L171-V177 HydrophobicContact CD1-CG2 3.64Å
172	G	77.1	Confident	90.5	Very high	52 Å²	52	36.4 Å²	36.4	54%	0.536	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	-129.8	-173.6	0	0	0	0	0	111.3	T168	T168-G172 PolarHBondContact O-N 3.3Å; T168-G172 VanDerWaalsContact O-N 3.16Å
173	D	71.5	Confident	90.5	Very high	147 Å²	147	34.8 Å²	34.8	79%	0.786	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-11.2	-173	-73.6	-30.8	0	0	0	115.4	L171 K622	L171-D173 PolarHBondContact O-N 2.78Å; D173-K622 PolarHBondContact O-NZ 3.48Å; D173-K622 VanDerWaalsContact O-NZ 3.1Å
174	K	72.3	Confident	90.4	Very high	119 Å²	119	35.2 Å²	35.2	52%	0.517	19%	0.188	S	C	.	.			trans	-160.6	152.7	179.6	-71.7	-166.1	173.7	-162.2	0	111.4	D28	D28-K174 IonicContact OD2-NZ 3.33Å; D28-K174 PolarHBondContact OD2-NZ 3.06Å
175	P	70.4	Confident	90.4	Very high	39 Å²	39	36.7 Å²	36.7	25%	0.253	19%	0.194	S	C	.	.	S	Bend	cis	-68.4	157.3	-5.9	26.3	-38.1	0	0	0	114	D28 M30 L171	D28-P175 WeakPolarHBondContact O-CA 3.13Å; D28-P175 WeakPolarHBondContact O-CB 3.4Å; M30-P175 HydrophobicContact CG-CB 4.29Å; M30-P175 HydrophobicContact CG-CG 3.86Å; M30-P175 HydrophobicContact SD-CG 3.84Å; L171-P175 HydrophobicContact CD1-CG 4.29Å; L171-P175 HydrophobicContact CD2-CG 3.81Å
176	N	84.1	Confident	90.5	Very high	11 Å²	11	32.7 Å²	32.7	6%	0.059	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	137.4	174.1	-54.2	-60.1	0	0	0	109.7	D28 L29 M30 F619 K622 Y623	D28-N176 PolarHBondContact O-N 2.71Å; L29-N176 WeakPolarHBondContact CA-O 3.49Å; L29-N176 HydrophobicContact CD2-CB 3.86Å; M30-N176 PolarHBondContact N-O 3.4Å; M30-N176 VanDerWaalsContact N-O 3.15Å; N176-F619 HydrophobicContact CB-CD2 4.29Å; N176-F619 HydrophobicContact CB-CE2 3.88Å; N176-F619 HydrophobicContact CB-CZ 4.26Å; N176-K622 PolarHBondContact OD1-NZ 2.84Å; N176-K622 VanDerWaalsContact OD1-NZ 3.1Å; N176-Y623 WeakPolarHBondContact ND2-CE2 3.46Å; N176-Y623 PolarHBondContact ND2-OH 3.14Å
177	V	94.4	Very high	90.6	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.012	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	135	-176.2	177.8	0	0	0	0	110.3	F32 F164 L167 T168 L171 M200 A201	F32-V177 HydrophobicContact CD2-CG1 3.74Å; F32-V177 HydrophobicContact CE2-CG1 3.86Å; F164-V177 HydrophobicContact CD1-CG1 4.23Å; F164-V177 HydrophobicContact CE1-CG1 4.07Å; L167-V177 HydrophobicContact CD2-CG2 4.13Å; T168-V177 HydrophobicContact CG2-CG2 4.37Å; L171-V177 HydrophobicContact CD1-CG2 3.64Å; V177-M200 HydrophobicContact CB-CB 3.82Å; V177-M200 HydrophobicContact CG1-CB 3.97Å; V177-M200 HydrophobicContact CG1-SD 4.23Å; V177-M200 WeakPolarHBondContact O-CA 3.38Å; V177-M200 WeakPolarHBondContact O-CB 3.18Å; V177-A201 PolarHBondContact O-N 3.08Å
178	I	97	Very high	90.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	127.3	167.8	-50.9	179.2	0	0	0	108.3	M30 L31 F32 W60 A201 R611 L615	M30-I178 PolarHBondContact O-N 2.79Å; L31-I178 HydrophobicContact CD1-CB 4.05Å; L31-I178 HydrophobicContact CD1-CG2 3.93Å; F32-I178 PolarHBondContact N-O 2.97Å; W60-I178 HydrophobicContact CH2-CD1 3.72Å; W60-I178 HydrophobicContact CZ2-CD1 4.37Å; I178-A201 WeakPolarHBondContact CA-O 3.39Å; I178-A201 HydrophobicContact CG1-CB 4.39Å; I178-R611 HydrophobicContact CD1-CB 4.27Å; I178-R611 HydrophobicContact CG2-CG 4.47Å; I178-L615 HydrophobicContact CD1-CD1 3.74Å; I178-L615 HydrophobicContact CD1-CD2 3.92Å; I178-L615 HydrophobicContact CD1-CG 3.72Å; I178-L615 HydrophobicContact CG1-CD1 4.5Å; I178-L615 HydrophobicContact CG1-CD2 3.76Å; I178-L615 HydrophobicContact CG1-CG 4.07Å
179	S	98	Very high	90.9	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	122.5	172.6	53.3	0	0	0	0	111	F32 F181 M200 A201 T202 V203	F32-S179 CarbonylContact O-C 3.35Å; F32-S179 WeakPolarHBondContact O-CA 3.38Å; S179-F181 VanDerWaalsContact OG-CE2 3.3Å; S179-F181 WeakPolarHBondContact OG-CE2 3.29Å; S179-M200 PolarHBondContact OG-SD 3.31Å; S179-A201 PolarHBondContact N-O 3.47Å; S179-A201 PolarHBondContact OG-O 2.95Å; S179-T202 CarbonylContact O-C 3.55Å; S179-T202 WeakPolarHBondContact O-CA 3.43Å; S179-V203 PolarHBondContact O-N 3.33Å
180	H	98.6	Very high	91.2	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	109	-178.3	-164.5	150.1	0	0	0	109	F32 E33 V34 H182 V203 T205 Y607	F32-H180 PolarHBondContact O-N 3.24Å; E33-H180 CarbonylContact C-O 3.53Å; E33-H180 WeakPolarHBondContact CA-O 3.46Å; E33-H180 HydrophobicContact CG-CB 4.38Å; V34-H180 PolarHBondContact N-O 3.09Å; H180-H182 AromaticContact CD2-CE1 3.81Å; H180-H182 AromaticContact CD2-NE2 3.71Å; H180-H182 AromaticContact NE2-CE1 3.62Å; H180-H182 AromaticContact NE2-NE2 3.93Å; H180-V203 CarbonylContact C-O 3.59Å; H180-V203 WeakPolarHBondContact CA-O 3.27Å; H180-V203 HydrophobicContact CB-CB 4.24Å; H180-V203 WeakPolarHBondContact NE2-CG1 3.49Å; H180-T205 PolarHBondContact NE2-OG1 2.96Å; H180-Y607 AromaticContact CE1-CD1 3.48Å; H180-Y607 VanDerWaalsContact CE1-CD1 3.48Å; H180-Y607 WeakPolarHBondContact CE1-CD1 3.49Å; H180-Y607 AromaticContact CE1-CE1 3.56Å; H180-Y607 AromaticContact ND1-CD1 3.94Å
181	F	98.7	Very high	91.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	135.2	-177.2	-63.2	-99.2	0	0	0	111.2	V34 I160 F164 S179 A186 L190 V203 F204 T205	V34-F181 HydrophobicContact CB-CD1 3.66Å; V34-F181 HydrophobicContact CB-CE1 4Å; V34-F181 HydrophobicContact CB-CG 4.22Å; V34-F181 HydrophobicContact CG1-CD1 3.81Å; V34-F181 HydrophobicContact CG1-CE1 4.01Å; V34-F181 HydrophobicContact CG2-CD1 3.96Å; V34-F181 HydrophobicContact CG2-CE1 3.83Å; V34-F181 HydrophobicContact CG2-CG 4.49Å; V34-F181 HydrophobicContact CG2-CZ 4.27Å; V34-F181 WeakPolarHBondContact O-CA 3.43Å; I160-F181 HydrophobicContact CG2-CE1 4.12Å; I160-F181 HydrophobicContact CG2-CZ 4.43Å; F164-F181 AromaticContact CE2-CZ 3.96Å; F164-F181 HydrophobicContact CE2-CZ 3.96Å; S179-F181 VanDerWaalsContact OG-CE2 3.3Å; S179-F181 WeakPolarHBondContact OG-CE2 3.29Å; F181-A186 HydrophobicContact CB-CB 4.32Å; F181-A186 HydrophobicContact CD1-CB 4.09Å; F181-A186 VanDerWaalsContact CD1-O 3.28Å; F181-A186 WeakPolarHBondContact CD1-O 3.35Å; F181-L190 HydrophobicContact CB-CD1 4.2Å; F181-L190 HydrophobicContact CD1-CB 4.15Å; F181-L190 HydrophobicContact CD2-CB 3.77Å; F181-L190 HydrophobicContact CD2-CD1 3.71Å; F181-L190 HydrophobicContact CD2-CG 3.95Å; F181-L190 HydrophobicContact CE1-CB 4.25Å; F181-L190 HydrophobicContact CE2-CB 3.84Å; F181-L190 HydrophobicContact CE2-CD1 4.34Å; F181-L190 HydrophobicContact CE2-CG 4.1Å; F181-L190 HydrophobicContact CG-CB 3.92Å; F181-L190 HydrophobicContact CG-CD1 4.13Å; F181-L190 HydrophobicContact CG-CG 4.48Å; F181-L190 HydrophobicContact CZ-CB 4.1Å; F181-V203 PolarHBondContact N-O 2.91Å; F181-F204 HydrophobicContact CB-CD2 4.04Å; F181-F204 WeakPolarHBondContact O-CA 3.47Å; F181-T205 PolarHBondContact O-N 3.43Å
182	H	98.4	Very high	92.1	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	127.3	175.6	-65.1	-79.6	0	0	0	111.4	E33 V34 A35 I45 H180 A186 H207 Y607	E33-H182 WeakPolarHBondContact CG-NE2 3.37Å; E33-H182 IonicContact OE1-CE1 3.44Å; E33-H182 IonicContact OE1-NE2 2.72Å; E33-H182 PolarHBondContact OE1-NE2 3.49Å; E33-H182 VanDerWaalsContact OE1-NE2 3.1Å; V34-H182 PolarHBondContact O-N 2.85Å; A35-H182 HydrophobicContact CB-CB 3.89Å; I45-H182 HydrophobicContact CG2-CB 4.28Å; H180-H182 AromaticContact CD2-CE1 3.81Å; H180-H182 AromaticContact CD2-NE2 3.71Å; H180-H182 AromaticContact NE2-CE1 3.62Å; H180-H182 AromaticContact NE2-NE2 3.93Å; H182-A186 WeakPolarHBondContact O-CB 3.39Å; H182-H207 AromaticContact CG-NE2 3.89Å; H182-H207 AromaticContact ND1-NE2 3.21Å; H182-H207 PolarHBondContact ND1-NE2 3.49Å; H182-Y607 AromaticContact CE1-CE1 3.98Å
183	E	97.4	Very high	93.1	Very high	15 Å²	15	17.9 Å²	17.9	7%	0.07	9%	0.09	C	C	.	.	S	Bend	trans	61.2	163.7	178.7	-79.6	-56.1	150.6	0	0	116.8	I45 Q185 A186 G187 F204 T205 H207 A208	I45-E183 HydrophobicContact CD1-CB 4.06Å; I45-E183 HydrophobicContact CD1-CG 3.25Å; I45-E183 HydrophobicContact CG1-CG 4.5Å; E183-Q185 PolarHBondContact O-N 3.24Å; E183-A186 PolarHBondContact O-N 2.85Å; E183-A186 VanDerWaalsContact O-N 3.11Å; E183-G187 PolarHBondContact O-N 3.12Å; E183-F204 WeakPolarHBondContact O-CE2 3.46Å; E183-T205 PolarHBondContact N-O 3.29Å; E183-H207 WeakPolarHBondContact OE1-CA 3.45Å; E183-H207 WeakPolarHBondContact OE1-CB 3.41Å; E183-H207 PolarHBondContact OE1-N 2.96Å; E183-A208 PolarHBondContact OE1-N 2.69Å
184	W	97.1	Very high	94.2	Very high	9 Å²	9	14.8 Å²	14.8	3%	0.034	7%	0.067	C	C	.	.	G	3₁₀ helix	trans	-59.9	-28	-177.3	74.4	-88.8	0	0	0	113.3	E149 A186 G187 P188 R243 M246 E247	E149-W184 HydrophobicContact CG-CH2 3.88Å; E149-W184 HydrophobicContact CG-CZ2 4.22Å; E149-W184 WeakPolarHBondContact OE1-CZ2 3.1Å; W184-A186 PolarHBondContact O-N 3.45Å; W184-G187 WeakPolarHBondContact O-CA 3.38Å; W184-G187 PolarHBondContact O-N 3.2Å; W184-P188 VanDerWaalsContact O-CD 3.31Å; W184-P188 WeakPolarHBondContact O-CD 3.43Å; W184-R243 HydrophobicContact CE3-CB 4.38Å; W184-R243 HydrophobicContact CH2-CB 4.39Å; W184-R243 HydrophobicContact CH2-CG 3.86Å; W184-R243 HydrophobicContact CZ2-CG 4.33Å; W184-R243 HydrophobicContact CZ3-CB 4.29Å; W184-R243 HydrophobicContact CZ3-CG 4.01Å; W184-M246 HydrophobicContact CE3-CE 3.81Å; W184-M246 HydrophobicContact CZ3-CE 3.53Å; W184-E247 HydrophobicContact CB-CB 3.69Å; W184-E247 HydrophobicContact CB-CG 4.14Å
185	Q	97.6	Very high	95.3	Very high	30 Å²	30	11.5 Å²	11.5	14%	0.14	6%	0.06	C	C	.	.	G	3₁₀ helix	trans	-64.1	-27.5	177.5	-67	100.7	-25.8	0	0	113.2	W36 E149 S153 E183	W36-Q185 HydrophobicContact CB-CB 3.83Å; W36-Q185 HydrophobicContact CB-CG 4.48Å; W36-Q185 HydrophobicContact CD2-CB 4.28Å; W36-Q185 HydrophobicContact CE3-CB 4.17Å; W36-Q185 HydrophobicContact CG-CB 4.15Å; W36-Q185 HydrophobicContact CG-CG 4.45Å; E149-Q185 PolarHBondContact OE1-NE2 3.03Å; S153-Q185 WeakPolarHBondContact CB-O 3.38Å; S153-Q185 VanDerWaalsContact OG-C 3.29Å; S153-Q185 WeakPolarHBondContact OG-CA 3.44Å; S153-Q185 PolarHBondContact OG-O 3.47Å; E183-Q185 PolarHBondContact O-N 3.24Å
186	A	97.4	Very high	96.5	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.065	C	C	.	.	G	3₁₀ helix	trans	-90.9	-10.9	172.4	0	0	0	0	0	112.3	V34 F181 H182 E183 W184 G189	V34-A186 HydrophobicContact CG1-CB 3.97Å; F181-A186 HydrophobicContact CB-CB 4.32Å; F181-A186 HydrophobicContact CD1-CB 4.09Å; F181-A186 VanDerWaalsContact CD1-O 3.28Å; F181-A186 WeakPolarHBondContact CD1-O 3.35Å; H182-A186 WeakPolarHBondContact O-CB 3.39Å; E183-A186 PolarHBondContact O-N 2.85Å; E183-A186 VanDerWaalsContact O-N 3.11Å; W184-A186 PolarHBondContact O-N 3.45Å; A186-G189 PolarHBondContact O-N 3.48Å
187	G	96.9	Very high	96.9	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-54.8	-42.6	-175.5	0	0	0	0	0	115.7	E183 W184 G189 L190 I191	E183-G187 PolarHBondContact O-N 3.12Å; W184-G187 WeakPolarHBondContact O-CA 3.38Å; W184-G187 PolarHBondContact O-N 3.2Å; G187-G189 PolarHBondContact O-N 3.07Å; G187-L190 WeakPolarHBondContact O-CB 3.1Å; G187-L190 PolarHBondContact O-N 3.37Å; G187-I191 WeakPolarHBondContact O-CG1 3.4Å; G187-I191 PolarHBondContact O-N 2.84Å
188	P	97.8	Very high	96.9	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-56.6	-34.8	179	-29.2	37	0	0	0	113.6	S153 L154 W184 L190 I191 L192 M246	S153-P188 WeakPolarHBondContact OG-CD 3.23Å; S153-P188 WeakPolarHBondContact OG-CG 3.39Å; L154-P188 HydrophobicContact CD1-CB 4.2Å; W184-P188 VanDerWaalsContact O-CD 3.31Å; W184-P188 WeakPolarHBondContact O-CD 3.43Å; P188-L190 VanDerWaalsContact C-N 3.34Å; P188-L190 PolarHBondContact O-N 3.22Å; P188-I191 PolarHBondContact O-N 3.22Å; P188-L192 WeakPolarHBondContact O-CB 3.38Å; P188-L192 VanDerWaalsContact O-CG 3.27Å; P188-L192 WeakPolarHBondContact O-CG 3.4Å; P188-L192 PolarHBondContact O-N 3.45Å; P188-M246 HydrophobicContact CG-SD 3.88Å
189	G	97.3	Very high	96.7	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-64	-39.3	176.5	0	0	0	0	0	112.5	G157 A186 G187 S193	G157-G189 VanDerWaalsContact CA-CA 3.45Å; G157-G189 VanDerWaalsContact CA-N 3.3Å; G157-G189 VanDerWaalsContact O-CA 3.3Å; G157-G189 WeakPolarHBondContact O-CA 3.38Å; A186-G189 PolarHBondContact O-N 3.48Å; G187-G189 PolarHBondContact O-N 3.07Å; G189-S193 WeakPolarHBondContact O-CB 3.41Å; G189-S193 PolarHBondContact O-N 3.45Å; G189-S193 VanDerWaalsContact O-N 3.08Å; G189-S193 PolarHBondContact O-OG 3.28Å
190	L	97.9	Very high	96.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-67	-49.1	175	-170.9	162.8	0	0	0	111.1	F181 G187 P188 L192 S193 R194 F204 C253 A254	F181-L190 HydrophobicContact CB-CD1 4.2Å; F181-L190 HydrophobicContact CD1-CB 4.15Å; F181-L190 HydrophobicContact CD2-CB 3.77Å; F181-L190 HydrophobicContact CD2-CD1 3.71Å; F181-L190 HydrophobicContact CD2-CG 3.95Å; F181-L190 HydrophobicContact CE1-CB 4.25Å; F181-L190 HydrophobicContact CE2-CB 3.84Å; F181-L190 HydrophobicContact CE2-CD1 4.34Å; F181-L190 HydrophobicContact CE2-CG 4.1Å; F181-L190 HydrophobicContact CG-CB 3.92Å; F181-L190 HydrophobicContact CG-CD1 4.13Å; F181-L190 HydrophobicContact CG-CG 4.48Å; F181-L190 HydrophobicContact CZ-CB 4.1Å; G187-L190 WeakPolarHBondContact O-CB 3.1Å; G187-L190 PolarHBondContact O-N 3.37Å; P188-L190 VanDerWaalsContact C-N 3.34Å; P188-L190 PolarHBondContact O-N 3.22Å; L190-L192 PolarHBondContact O-N 2.96Å; L190-S193 PolarHBondContact O-N 3.19Å; L190-R194 HydrophobicContact CD2-CG 4.01Å; L190-R194 WeakPolarHBondContact O-CB 3.43Å; L190-R194 WeakPolarHBondContact O-CG 3.33Å; L190-R194 PolarHBondContact O-N 3.48Å; L190-F204 HydrophobicContact CD1-CB 3.74Å; L190-F204 HydrophobicContact CD1-CD2 4.02Å; L190-F204 HydrophobicContact CD1-CG 4.28Å; L190-C253 HydrophobicContact CD2-CB 3.36Å; L190-A254 HydrophobicContact CD1-CB 3.94Å; L190-A254 HydrophobicContact CD2-CB 4.49Å
191	I	97.8	Very high	96.4	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.01	12%	0.124	C	C	.	.	H	α-helix	trans	-57.4	-52.8	-178.1	-64.1	163	0	0	0	110.3	T138 G187 P188 S193 R194 S195 A249 A250	T138-I191 HydrophobicContact CG2-CG2 4.49Å; G187-I191 WeakPolarHBondContact O-CG1 3.4Å; G187-I191 PolarHBondContact O-N 2.84Å; P188-I191 PolarHBondContact O-N 3.22Å; I191-S193 VanDerWaalsContact C-N 3.32Å; I191-S193 PolarHBondContact O-N 2.82Å; I191-R194 PolarHBondContact O-N 2.94Å; I191-S195 PolarHBondContact O-N 3.33Å; I191-S195 PolarHBondContact O-OG 3.42Å; I191-A249 HydrophobicContact CD1-CB 3.55Å; I191-A249 HydrophobicContact CG1-CB 4.01Å; I191-A250 HydrophobicContact CD1-CB 4.34Å; I191-A250 HydrophobicContact CG1-CB 4.28Å
192	L	96.9	Very high	96.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-65.2	-36.4	-178.9	-67.6	174	0	0	0	112.1	L154 S158 A161 P188 L190 S195 R196	L154-L192 HydrophobicContact CD1-CD1 4.29Å; S158-L192 WeakPolarHBondContact OG-CD1 3.48Å; A161-L192 HydrophobicContact CB-CB 3.82Å; P188-L192 WeakPolarHBondContact O-CB 3.38Å; P188-L192 VanDerWaalsContact O-CG 3.27Å; P188-L192 WeakPolarHBondContact O-CG 3.4Å; P188-L192 PolarHBondContact O-N 3.45Å; L190-L192 PolarHBondContact O-N 2.96Å; L192-S195 PolarHBondContact O-OG 3.25Å; L192-S195 VanDerWaalsContact O-OG 3.06Å; L192-R196 WeakPolarHBondContact O-CB 3.41Å; L192-R196 WeakPolarHBondContact O-CD 3.41Å; L192-R196 WeakPolarHBondContact O-CG 3.38Å; L192-R196 PolarHBondContact O-N 3.47Å; L192-R196 VanDerWaalsContact O-N 3.12Å
193	S	96.7	Very high	96.4	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.007	12%	0.124	C	C	.	.	H	α-helix	trans	-66.4	-39.9	177.2	-64.3	0	0	0	0	112.7	G189 L190 I191 N197 I198 M200	G189-S193 WeakPolarHBondContact O-CB 3.41Å; G189-S193 PolarHBondContact O-N 3.45Å; G189-S193 VanDerWaalsContact O-N 3.08Å; G189-S193 PolarHBondContact O-OG 3.28Å; L190-S193 PolarHBondContact O-N 3.19Å; I191-S193 VanDerWaalsContact C-N 3.32Å; I191-S193 PolarHBondContact O-N 2.82Å; S193-N197 PolarHBondContact O-N 3.3Å; S193-I198 PolarHBondContact O-N 2.98Å; S193-I198 VanDerWaalsContact O-N 3.1Å; S193-M200 WeakPolarHBondContact OG-CE 3.46Å
194	R	95.8	Very high	96.5	Very high	81 Å²	81	23.9 Å²	23.9	31%	0.306	12%	0.121	S	C	.	.	H	α-helix	trans	-71.6	-40.5	177.9	-74.1	-66.6	-48.2	-109.4	15.6	112.2	L190 I191 R196 N197 T202 C253 H255	L190-R194 HydrophobicContact CD2-CG 4.01Å; L190-R194 WeakPolarHBondContact O-CB 3.43Å; L190-R194 WeakPolarHBondContact O-CG 3.33Å; L190-R194 PolarHBondContact O-N 3.48Å; I191-R194 PolarHBondContact O-N 2.94Å; R194-R196 VanDerWaalsContact C-N 3.27Å; R194-R196 PolarHBondContact O-N 2.99Å; R194-N197 PolarHBondContact O-N 3.23Å; R194-T202 HydrophobicContact CG-CG2 4.4Å; R194-C253 HydrophobicContact CB-CB 4.19Å; R194-C253 HydrophobicContact CG-CB 4.19Å; R194-C253 VanDerWaalsContact CG-O 3.3Å; R194-C253 WeakPolarHBondContact CG-O 3.3Å; R194-C253 PolarHBondContact NH1-O 3.18Å; R194-H255 PolarHBondContact NH1-CD2 2.83Å; R194-H255 PolarHBondContact NH1-CE1 2.9Å; R194-H255 PolarHBondContact NH1-ND1 2.85Å; R194-H255 PolarHBondContact NH1-NE2 2.94Å
195	S	95.1	Very high	96.5	Very high	51 Å²	51	23.5 Å²	23.5	36%	0.357	12%	0.119	S	C	.	.	H	α-helix	trans	-65.8	-31.7	177.4	68.3	0	0	0	0	112.8	T138 I191 L192 N197	T138-S195 WeakPolarHBondContact CG2-OG 3.29Å; I191-S195 PolarHBondContact O-N 3.33Å; I191-S195 PolarHBondContact O-OG 3.42Å; L192-S195 PolarHBondContact O-OG 3.25Å; L192-S195 VanDerWaalsContact O-OG 3.06Å; S195-N197 VanDerWaalsContact C-N 3.29Å; S195-N197 PolarHBondContact O-N 3.18Å
196	R	94.8	Very high	96.5	Very high	98 Å²	98	22 Å²	22	37%	0.37	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	2.5	176.5	-66.3	172.6	-176.5	174.4	1.9	113.9	D134 L192 R194 I198	D134-R196 IonicContact OD2-NH2 3.86Å; L192-R196 WeakPolarHBondContact O-CB 3.41Å; L192-R196 WeakPolarHBondContact O-CD 3.41Å; L192-R196 WeakPolarHBondContact O-CG 3.38Å; L192-R196 PolarHBondContact O-N 3.47Å; L192-R196 VanDerWaalsContact O-N 3.12Å; R194-R196 VanDerWaalsContact C-N 3.27Å; R194-R196 PolarHBondContact O-N 2.99Å; R196-I198 VanDerWaalsContact C-N 3.27Å; R196-I198 HydrophobicContact CB-CG1 4.12Å; R196-I198 PolarHBondContact O-N 2.9Å
197	N	94.1	Very high	96.5	Very high	141 Å²	141	22.8 Å²	22.8	75%	0.754	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.1	41	-177.6	-60.1	-52.9	0	0	0	113.6	S193 R194 S195	S193-N197 PolarHBondContact O-N 3.3Å; R194-N197 PolarHBondContact O-N 3.23Å; S195-N197 VanDerWaalsContact C-N 3.29Å; S195-N197 PolarHBondContact O-N 3.18Å
198	I	94.6	Very high	96.3	Very high	11 Å²	11	24 Å²	24	6%	0.056	13%	0.125	C	C	.	.			trans	-65.6	128.6	174.5	-59.5	-179	0	0	0	108.5	A161 F164 K165 T168 S193 R196 M200	A161-I198 VanDerWaalsContact O-CD1 3.3Å; A161-I198 WeakPolarHBondContact O-CD1 3.2Å; F164-I198 HydrophobicContact CB-CD1 4.25Å; F164-I198 HydrophobicContact CB-CG2 4.21Å; K165-I198 HydrophobicContact CB-CD1 4.01Å; T168-I198 HydrophobicContact CG2-CG2 3.77Å; S193-I198 PolarHBondContact O-N 2.98Å; S193-I198 VanDerWaalsContact O-N 3.1Å; R196-I198 VanDerWaalsContact C-N 3.27Å; R196-I198 HydrophobicContact CB-CG1 4.12Å; R196-I198 PolarHBondContact O-N 2.9Å; I198-M200 VanDerWaalsContact C-N 3.32Å; I198-M200 HydrophobicContact CB-CE 4.3Å; I198-M200 HydrophobicContact CG2-CE 4.1Å; I198-M200 HydrophobicContact CG2-CG 4.2Å; I198-M200 HydrophobicContact CG2-SD 4.42Å; I198-M200 PolarHBondContact O-N 3.27Å
199	P	92.1	Very high	96.2	Very high	74 Å²	74	24 Å²	24	48%	0.481	13%	0.126	S	C	.	.	S	Bend	trans	-75.5	79.5	-172.7	31.2	-36.3	0	0	0	111.8	T168	T168-P199 HydrophobicContact CG2-CG 3.97Å
200	M	94.4	Very high	96	Very high	4 Å²	4	25 Å²	25	2%	0.02	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	151	177.3	63.1	173	166.8	0	0	113	F164 V177 S179 S193 I198 T202 H255 S618	F164-M200 HydrophobicContact CB-CE 3.99Å; F164-M200 HydrophobicContact CB-SD 4.27Å; F164-M200 HydrophobicContact CD1-SD 3.97Å; F164-M200 HydrophobicContact CD2-CE 3.66Å; F164-M200 HydrophobicContact CD2-SD 4.01Å; F164-M200 HydrophobicContact CE1-SD 4.31Å; F164-M200 HydrophobicContact CE2-CE 4.26Å; F164-M200 HydrophobicContact CE2-SD 4.32Å; F164-M200 HydrophobicContact CG-CE 3.84Å; F164-M200 HydrophobicContact CG-SD 3.84Å; F164-M200 HydrophobicContact CZ-SD 4.48Å; V177-M200 HydrophobicContact CB-CB 3.82Å; V177-M200 HydrophobicContact CG1-CB 3.97Å; V177-M200 HydrophobicContact CG1-SD 4.23Å; V177-M200 WeakPolarHBondContact O-CA 3.38Å; V177-M200 WeakPolarHBondContact O-CB 3.18Å; S179-M200 PolarHBondContact OG-SD 3.31Å; S193-M200 WeakPolarHBondContact OG-CE 3.46Å; I198-M200 VanDerWaalsContact C-N 3.32Å; I198-M200 HydrophobicContact CB-CE 4.3Å; I198-M200 HydrophobicContact CG2-CE 4.1Å; I198-M200 HydrophobicContact CG2-CG 4.2Å; I198-M200 HydrophobicContact CG2-SD 4.42Å; I198-M200 PolarHBondContact O-N 3.27Å; M200-T202 HydrophobicContact CE-CG2 4.48Å; M200-T202 HydrophobicContact CG-CG2 4.2Å; M200-H255 PolarHBondContact O-CE1 2.9Å; M200-H255 VanDerWaalsContact O-CE1 3.31Å; M200-S618 PolarHBondContact O-OG 2.88Å
201	A	96.1	Very high	95.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	135.7	171.5	0	0	0	0	0	109.9	V177 I178 S179 A614 L615 F619	V177-A201 PolarHBondContact O-N 3.08Å; I178-A201 WeakPolarHBondContact CA-O 3.39Å; I178-A201 HydrophobicContact CG1-CB 4.39Å; S179-A201 PolarHBondContact N-O 3.47Å; S179-A201 PolarHBondContact OG-O 2.95Å; A201-A614 HydrophobicContact CB-CB 4.05Å; A201-L615 HydrophobicContact CB-CD2 4.14Å; A201-F619 HydrophobicContact CB-CE2 4.2Å
202	T	98.2	Very high	95.4	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	129.8	-175.4	63.2	0	0	0	0	112.1	S179 R194 M200 H255 V256	S179-T202 CarbonylContact O-C 3.55Å; S179-T202 WeakPolarHBondContact O-CA 3.43Å; R194-T202 HydrophobicContact CG-CG2 4.4Å; M200-T202 HydrophobicContact CE-CG2 4.48Å; M200-T202 HydrophobicContact CG-CG2 4.2Å; T202-H255 PolarHBondContact N-ND1 2.79Å; T202-H255 VanDerWaalsContact N-ND1 3.11Å; T202-H255 WeakPolarHBondContact O-CB 3.14Å; T202-H255 PolarHBondContact O-N 2.98Å; T202-H255 PolarHBondContact OG1-N 2.96Å; T202-H255 VanDerWaalsContact OG1-N 3.09Å; T202-H255 PolarHBondContact OG1-ND1 3.49Å; T202-V256 PolarHBondContact O-N 3.26Å; T202-V256 VanDerWaalsContact O-N 3.1Å
203	V	98.6	Very high	94.9	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	138.5	172.3	-173.5	0	0	0	0	108.6	S179 H180 F181 V256 T258 A610 A614	S179-V203 PolarHBondContact O-N 3.33Å; H180-V203 CarbonylContact C-O 3.59Å; H180-V203 WeakPolarHBondContact CA-O 3.27Å; H180-V203 HydrophobicContact CB-CB 4.24Å; H180-V203 WeakPolarHBondContact NE2-CG1 3.49Å; F181-V203 PolarHBondContact N-O 2.91Å; V203-V256 CarbonylContact C-O 3.51Å; V203-V256 WeakPolarHBondContact CA-O 3.39Å; V203-V256 HydrophobicContact CG1-CB 4.44Å; V203-V256 HydrophobicContact CG1-CG1 4.37Å; V203-V256 HydrophobicContact CG2-CB 4.34Å; V203-T258 HydrophobicContact CG1-CG2 4.16Å; V203-A610 HydrophobicContact CG1-CB 4.49Å; V203-A614 HydrophobicContact CG2-CB 3.63Å
204	F	98.8	Very high	94.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	127.8	170.8	-174.5	-103.6	0	0	0	110.1	F181 E183 L190 A250 V251 A254 V256 F257 T258	F181-F204 HydrophobicContact CB-CD2 4.04Å; F181-F204 WeakPolarHBondContact O-CA 3.47Å; E183-F204 WeakPolarHBondContact O-CE2 3.46Å; L190-F204 HydrophobicContact CD1-CB 3.74Å; L190-F204 HydrophobicContact CD1-CD2 4.02Å; L190-F204 HydrophobicContact CD1-CG 4.28Å; F204-A250 HydrophobicContact CD2-CB 3.88Å; F204-A250 HydrophobicContact CE1-CB 4.39Å; F204-A250 HydrophobicContact CE2-CB 3.6Å; F204-A250 HydrophobicContact CG-CB 4.4Å; F204-A250 HydrophobicContact CZ-CB 3.87Å; F204-V251 HydrophobicContact CD1-CB 4.44Å; F204-V251 HydrophobicContact CD1-CG2 3.6Å; F204-V251 HydrophobicContact CE1-CG2 3.44Å; F204-V251 VanDerWaalsContact CE1-CG2 3.44Å; F204-A254 HydrophobicContact CB-CB 3.52Å; F204-V256 PolarHBondContact N-O 3.18Å; F204-F257 AromaticContact CD1-CD2 3.88Å; F204-F257 HydrophobicContact CD1-CD2 3.88Å; F204-F257 AromaticContact CD1-CE2 3.97Å; F204-F257 HydrophobicContact CD1-CE2 3.97Å; F204-F257 HydrophobicContact CE1-CE2 4.4Å; F204-T258 PolarHBondContact O-N 3.31Å; F204-T258 PolarHBondContact O-OG1 3.5Å; F204-T258 VanDerWaalsContact O-OG1 3.06Å
205	T	98.6	Very high	94.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	121.2	171.9	-54.9	0	0	0	0	110.1	H180 F181 E183 T258 V260	H180-T205 PolarHBondContact NE2-OG1 2.96Å; F181-T205 PolarHBondContact O-N 3.43Å; E183-T205 PolarHBondContact N-O 3.29Å; T205-T258 WeakPolarHBondContact CA-O 3.45Å; T205-T258 VanDerWaalsContact CA-OG1 3.31Å; T205-T258 WeakPolarHBondContact CA-OG1 3.33Å; T205-T258 VanDerWaalsContact CB-OG1 3.31Å; T205-T258 WeakPolarHBondContact CB-OG1 3.27Å; T205-T258 PolarHBondContact OG1-OG1 3.39Å; T205-V260 HydrophobicContact CG2-CG1 4.09Å
206	T	97.6	Very high	93.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	125.7	162.5	-179	0	0	0	0	109.2	A208 F257 T258 T259 L272	T206-A208 VanDerWaalsContact OG1-C 3.28Å; T206-A208 PolarHBondContact OG1-N 3Å; T206-A208 PolarHBondContact OG1-O 3.09Å; T206-F257 HydrophobicContact CG2-CE2 3.57Å; T206-F257 HydrophobicContact CG2-CZ 3.66Å; T206-T258 PolarHBondContact N-O 3.36Å; T206-T258 VanDerWaalsContact N-O 3.12Å; T206-T259 HydrophobicContact CG2-CG2 3.61Å; T206-T259 WeakPolarHBondContact O-CA 3.41Å; T206-L272 HydrophobicContact CG2-CD1 4.33Å
207	H	96	Very high	93.3	Very high	16 Å²	16	26.6 Å²	26.6	7%	0.074	14%	0.144	C	C	.	.	S	Bend	trans	-84.1	-24.9	174	-67.6	-100.2	0	0	0	111.2	I45 H182 E183 V260 P513	I45-H207 HydrophobicContact CG1-CB 4.38Å; H182-H207 AromaticContact CG-NE2 3.89Å; H182-H207 AromaticContact ND1-NE2 3.21Å; H182-H207 PolarHBondContact ND1-NE2 3.49Å; E183-H207 WeakPolarHBondContact OE1-CA 3.45Å; E183-H207 WeakPolarHBondContact OE1-CB 3.41Å; E183-H207 PolarHBondContact OE1-N 2.96Å; H207-V260 HydrophobicContact CB-CG1 4.37Å; H207-V260 WeakPolarHBondContact ND1-CG1 3.46Å; H207-V260 WeakPolarHBondContact O-CG2 3.31Å; H207-P513 WeakPolarHBondContact O-CB 3.47Å
208	A	94.4	Very high	92.5	Very high	24 Å²	24	22 Å²	22	20%	0.198	13%	0.13	C	C	.	.	S	Bend	trans	-158.8	144.5	173.1	0	0	0	0	0	108.8	E183 T206 P513	E183-A208 PolarHBondContact OE1-N 2.69Å; T206-A208 VanDerWaalsContact OG1-C 3.28Å; T206-A208 PolarHBondContact OG1-N 3Å; T206-A208 PolarHBondContact OG1-O 3.09Å; A208-P513 HydrophobicContact CB-CB 4.2Å; A208-P513 HydrophobicContact CB-CG 3.54Å
209	T	94.9	Very high	91.5	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.006	16%	0.16	C	C	.	.			trans	-76.4	142.7	171	89.8	0	0	0	0	110.1	L211 G212 R213 E247 E267 A268 L272 Y511	T209-L211 VanDerWaalsContact C-N 3.35Å; T209-L211 PolarHBondContact O-N 3.49Å; T209-G212 PolarHBondContact O-N 3.41Å; T209-G212 PolarHBondContact OG1-N 3.47Å; T209-R213 PolarHBondContact O-N 2.93Å; T209-E247 WeakPolarHBondContact CA-OE1 3.49Å; T209-E267 VanDerWaalsContact CB-OE1 3.27Å; T209-E267 WeakPolarHBondContact CB-OE1 3.29Å; T209-E267 HydrophobicContact CG2-CB 4.43Å; T209-E267 HydrophobicContact CG2-CG 3.73Å; T209-E267 WeakPolarHBondContact CG2-OE1 3.4Å; T209-E267 PolarHBondContact OG1-OE1 2.48Å; T209-A268 HydrophobicContact CG2-CB 4.25Å; T209-L272 HydrophobicContact CG2-CD1 3.91Å; T209-L272 HydrophobicContact CG2-CG 4.3Å; T209-Y511 PolarHBondContact O-OH 3.37Å
210	L	93.1	Very high	91.1	Very high	22 Å²	22	26.7 Å²	26.7	12%	0.115	15%	0.153	C	C	.	.	H	α-helix	trans	-56.5	-52.5	179.5	-171.1	71.3	0	0	0	110.2	G212 R213 Y214 I240 R243 E247	L210-G212 PolarHBondContact O-N 3.3Å; L210-R213 PolarHBondContact O-N 3.31Å; L210-Y214 HydrophobicContact CD1-CE2 3.97Å; L210-Y214 HydrophobicContact CG-CD2 4.37Å; L210-Y214 HydrophobicContact CG-CE2 4.13Å; L210-Y214 VanDerWaalsContact O-CD2 3.28Å; L210-Y214 WeakPolarHBondContact O-CD2 3.18Å; L210-Y214 PolarHBondContact O-N 3.12Å; L210-I240 HydrophobicContact CD2-CB 4.19Å; L210-I240 HydrophobicContact CD2-CD1 4.08Å; L210-I240 HydrophobicContact CG-CD1 4.21Å; L210-R243 HydrophobicContact CD2-CB 3.47Å; L210-R243 VanDerWaalsContact CD2-CB 3.47Å; L210-E247 VanDerWaalsContact CB-OE2 3.31Å; L210-E247 WeakPolarHBondContact CB-OE2 3.31Å; L210-E247 PolarHBondContact N-OE1 2.82Å; L210-E247 PolarHBondContact N-OE2 3.33Å
211	L	91.8	Very high	90.8	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-65.1	-38.8	-176.6	-84.2	171.6	0	0	0	113.8	T209 R213 Y214 L215 I231 E234 A235 I240 Y244	T209-L211 VanDerWaalsContact C-N 3.35Å; T209-L211 PolarHBondContact O-N 3.49Å; L211-R213 VanDerWaalsContact C-N 3.25Å; L211-R213 PolarHBondContact O-N 3.47Å; L211-Y214 PolarHBondContact O-N 3.2Å; L211-Y214 VanDerWaalsContact O-N 3.14Å; L211-L215 HydrophobicContact CB-CD1 4.36Å; L211-L215 WeakPolarHBondContact O-CB 3.5Å; L211-L215 WeakPolarHBondContact O-CG 3.42Å; L211-L215 PolarHBondContact O-N 3Å; L211-I231 HydrophobicContact CD1-CB 4.33Å; L211-I231 HydrophobicContact CD1-CG2 3.25Å; L211-E234 HydrophobicContact CD2-CB 4.12Å; L211-A235 HydrophobicContact CD1-CB 4.23Å; L211-A235 HydrophobicContact CD2-CB 3.99Å; L211-A235 HydrophobicContact CG-CB 4.42Å; L211-I240 HydrophobicContact CD2-CD1 3.99Å; L211-Y244 HydrophobicContact CD1-CD2 3.56Å; L211-Y244 HydrophobicContact CD1-CE2 3.77Å; L211-Y244 HydrophobicContact CD1-CG 4.17Å; L211-Y244 HydrophobicContact CG-CD2 4.16Å
212	G	91.4	Very high	90.7	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-60.4	-38.1	179.3	0	0	0	0	0	112.6	T209 L210 Y214 L215 C216 E267	T209-G212 PolarHBondContact O-N 3.41Å; T209-G212 PolarHBondContact OG1-N 3.47Å; L210-G212 PolarHBondContact O-N 3.3Å; G212-Y214 PolarHBondContact O-N 2.94Å; G212-L215 PolarHBondContact O-N 3.27Å; G212-C216 WeakPolarHBondContact O-CB 3.37Å; G212-C216 PolarHBondContact O-N 2.71Å; G212-C216 PolarHBondContact O-SG 2.78Å; G212-E267 VanDerWaalsContact CA-OE1 3.27Å; G212-E267 WeakPolarHBondContact CA-OE1 3.45Å
213	R	87	Confident	90.4	Very high	105 Å²	105	30.8 Å²	30.8	40%	0.396	17%	0.173	S	C	.	.	H	α-helix	trans	-62.6	-43.3	175.4	-168.7	176	-176.1	-166.2	-4.1	112.3	T209 L210 L211 A217 R333 E335 Y511	T209-R213 PolarHBondContact O-N 2.93Å; L210-R213 PolarHBondContact O-N 3.31Å; L211-R213 VanDerWaalsContact C-N 3.25Å; L211-R213 PolarHBondContact O-N 3.47Å; R213-A217 WeakPolarHBondContact O-CB 3.29Å; R213-A217 PolarHBondContact O-N 3.48Å; R213-R333 VanDerWaalsContact NH2-CZ 3.28Å; R213-E335 IonicContact CZ-OE1 2.62Å; R213-E335 IonicContact NE-OE1 2.66Å; R213-E335 IonicContact NH2-OE1 3.46Å; R213-E335 PolarHBondContact NH2-OE1 3.26Å; R213-Y511 HydrophobicContact CB-CE1 3.79Å; R213-Y511 HydrophobicContact CG-CE1 4.11Å; R213-Y511 PolarHBondContact N-OH 3.2Å
214	Y	89	Confident	90.1	Very high	91 Å²	91	35 Å²	35	36%	0.357	20%	0.196	S	C	.	.	H	α-helix	trans	-72.2	-38.5	179.2	-80	-87.5	0	0	0	112.9	L210 L211 G212 A217 G218 I240	L210-Y214 HydrophobicContact CD1-CE2 3.97Å; L210-Y214 HydrophobicContact CG-CD2 4.37Å; L210-Y214 HydrophobicContact CG-CE2 4.13Å; L210-Y214 VanDerWaalsContact O-CD2 3.28Å; L210-Y214 WeakPolarHBondContact O-CD2 3.18Å; L210-Y214 PolarHBondContact O-N 3.12Å; L211-Y214 PolarHBondContact O-N 3.2Å; L211-Y214 VanDerWaalsContact O-N 3.14Å; G212-Y214 PolarHBondContact O-N 2.94Å; Y214-A217 PolarHBondContact O-N 3.38Å; Y214-G218 PolarHBondContact O-N 2.89Å; Y214-I240 HydrophobicContact CD2-CD1 3.51Å; Y214-I240 HydrophobicContact CE2-CD1 3.75Å; Y214-I240 HydrophobicContact CE2-CG2 4.21Å; Y214-I240 HydrophobicContact CG-CD1 3.98Å
215	L	89.6	Confident	89.9	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-68.9	-41.6	-179.8	-74.5	167.4	0	0	0	111.6	L211 G212 A217 G218 F222 F229 E234 M271	L211-L215 HydrophobicContact CB-CD1 4.36Å; L211-L215 WeakPolarHBondContact O-CB 3.5Å; L211-L215 WeakPolarHBondContact O-CG 3.42Å; L211-L215 PolarHBondContact O-N 3Å; G212-L215 PolarHBondContact O-N 3.27Å; L215-A217 VanDerWaalsContact C-N 3.32Å; L215-A217 PolarHBondContact O-N 2.77Å; L215-G218 PolarHBondContact O-N 2.81Å; L215-G218 VanDerWaalsContact O-N 3.1Å; L215-F222 HydrophobicContact CB-CD2 3.7Å; L215-F222 HydrophobicContact CB-CE2 3.93Å; L215-F222 HydrophobicContact CD1-CD2 4.02Å; L215-F222 HydrophobicContact CD1-CE2 3.67Å; L215-F222 HydrophobicContact CG-CD2 4.5Å; L215-F222 HydrophobicContact CG-CE2 4.45Å; L215-F229 HydrophobicContact CD1-CD1 4.24Å; L215-F229 HydrophobicContact CD1-CD2 4.48Å; L215-F229 HydrophobicContact CD1-CE1 4.33Å; L215-F229 HydrophobicContact CD1-CG 4.32Å; L215-F229 HydrophobicContact CD1-CZ 4.47Å; L215-F229 HydrophobicContact CD2-CD1 4.14Å; L215-F229 HydrophobicContact CD2-CE1 3.84Å; L215-F229 HydrophobicContact CD2-CZ 4.43Å; L215-E234 HydrophobicContact CD2-CB 4.5Å; L215-E234 HydrophobicContact CD2-CG 4.19Å; L215-E234 WeakPolarHBondContact CD2-OE2 3.2Å; L215-M271 HydrophobicContact CD1-SD 4.43Å
216	C	86.9	Confident	89.6	Confident	2 Å²	2	37.4 Å²	37.4	1%	0.014	21%	0.209	C	C	.	.	H	α-helix	trans	-66.7	-33.8	176.3	-67	0	0	0	0	112.6	G212 G218 F222 N338 Y510 Y511	G212-C216 WeakPolarHBondContact O-CB 3.37Å; G212-C216 PolarHBondContact O-N 2.71Å; G212-C216 PolarHBondContact O-SG 2.78Å; C216-G218 PolarHBondContact O-N 3.38Å; C216-F222 WeakPolarHBondContact SG-CD1 3.39Å; C216-F222 WeakPolarHBondContact SG-CG 3.13Å; C216-N338 WeakPolarHBondContact CB-OD1 3.36Å; C216-N338 PolarHBondContact O-OD1 3.03Å; C216-Y510 HydrophobicContact CB-CD1 4.32Å; C216-Y510 HydrophobicContact CB-CE1 4.28Å; C216-Y511 HydrophobicContact CB-CD2 4.14Å; C216-Y511 HydrophobicContact CB-CG 3.91Å; C216-Y511 WeakPolarHBondContact SG-CD2 3.09Å
217	A	82.2	Confident	89.4	Confident	66 Å²	66	43 Å²	43	55%	0.545	24%	0.239	S	C	.	.	H	α-helix	trans	-68.6	-22.5	173.2	0	0	0	0	0	113.1	R213 Y214 L215 N219	R213-A217 WeakPolarHBondContact O-CB 3.29Å; R213-A217 PolarHBondContact O-N 3.48Å; Y214-A217 PolarHBondContact O-N 3.38Å; L215-A217 VanDerWaalsContact C-N 3.32Å; L215-A217 PolarHBondContact O-N 2.77Å; A217-N219 VanDerWaalsContact C-N 3.28Å; A217-N219 PolarHBondContact O-N 3Å
218	G	76.9	Confident	89.2	Confident	44 Å²	44	48.9 Å²	48.9	45%	0.454	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	12.6	179.9	0	0	0	0	0	115.5	Y214 L215 C216 V220	Y214-G218 PolarHBondContact O-N 2.89Å; L215-G218 PolarHBondContact O-N 2.81Å; L215-G218 VanDerWaalsContact O-N 3.1Å; C216-G218 PolarHBondContact O-N 3.38Å; G218-V220 PolarHBondContact O-N 3.29Å
219	N	73.7	Confident	89.2	Confident	130 Å²	130	49.1 Å²	49.1	70%	0.695	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	30.6	-175.9	-68.1	-23.9	0	0	0	114.2	A217 S337	A217-N219 VanDerWaalsContact C-N 3.28Å; A217-N219 PolarHBondContact O-N 3Å; N219-S337 PolarHBondContact OD1-OG 2.97Å
220	V	84.1	Confident	89.2	Confident	53 Å²	53	53.5 Å²	53.5	32%	0.321	28%	0.284	S	S	.	.			trans	-88	143.7	174.8	-171.6	0	0	0	0	109.8	G218 F222 F229 Y510	G218-V220 PolarHBondContact O-N 3.29Å; V220-F222 VanDerWaalsContact C-N 3.31Å; V220-F222 PolarHBondContact O-N 3.46Å; V220-F229 HydrophobicContact CG1-CE1 3.9Å; V220-F229 HydrophobicContact CG1-CZ 3.68Å; V220-Y510 PolarHBondContact O-OH 2.96Å
221	D	89	Confident	89.3	Confident	71 Å²	71	52.9 Å²	52.9	38%	0.38	28%	0.281	S	S	.	.			trans	-68.1	92.1	165.6	-176.4	1.4	0	0	0	109.3	N224 N225	D221-N224 VanDerWaalsContact CG-ND2 3.31Å; D221-N224 WeakPolarHBondContact OD1-CB 3.13Å; D221-N224 PolarHBondContact OD1-ND2 3.06Å; D221-N224 WeakPolarHBondContact OD2-CB 3.48Å; D221-N224 PolarHBondContact OD2-ND2 3.48Å; D221-N225 WeakPolarHBondContact O-CB 3Å; D221-N225 PolarHBondContact O-ND2 3.43Å
222	F	92.1	Very high	89.4	Confident	0 Å²	0	56 Å²	56	0%	0	30%	0.297	C	S	.	.			trans	-78.9	-56.8	-167.8	178.9	-117.9	0	0	0	111.4	L215 C216 V220 N224 N225 L226 F229 E267 M271 Y510 Y511	L215-F222 HydrophobicContact CB-CD2 3.7Å; L215-F222 HydrophobicContact CB-CE2 3.93Å; L215-F222 HydrophobicContact CD1-CD2 4.02Å; L215-F222 HydrophobicContact CD1-CE2 3.67Å; L215-F222 HydrophobicContact CG-CD2 4.5Å; L215-F222 HydrophobicContact CG-CE2 4.45Å; C216-F222 WeakPolarHBondContact SG-CD1 3.39Å; C216-F222 WeakPolarHBondContact SG-CG 3.13Å; V220-F222 VanDerWaalsContact C-N 3.31Å; V220-F222 PolarHBondContact O-N 3.46Å; F222-N224 VanDerWaalsContact C-N 3.31Å; F222-N224 PolarHBondContact O-N 3.02Å; F222-N225 PolarHBondContact O-N 3.44Å; F222-L226 HydrophobicContact CD1-CD2 4.09Å; F222-L226 HydrophobicContact CD2-CD2 4.11Å; F222-L226 HydrophobicContact CE1-CD2 3.78Å; F222-L226 HydrophobicContact CE2-CD2 3.78Å; F222-L226 HydrophobicContact CG-CD2 4.27Å; F222-L226 HydrophobicContact CZ-CD2 3.61Å; F222-L226 WeakPolarHBondContact O-CD2 3.45Å; F222-L226 PolarHBondContact O-N 3.08Å; F222-F229 AromaticContact CD2-CE2 3.91Å; F222-F229 HydrophobicContact CD2-CE2 3.91Å; F222-F229 HydrophobicContact CD2-CZ 4.28Å; F222-F229 HydrophobicContact CE2-CE2 4.44Å; F222-E267 HydrophobicContact CE1-CG 3.99Å; F222-E267 HydrophobicContact CZ-CG 3.76Å; F222-M271 HydrophobicContact CE2-CE 3.69Å; F222-M271 HydrophobicContact CE2-SD 4.47Å; F222-M271 HydrophobicContact CZ-CE 4.12Å; F222-Y510 HydrophobicContact CB-CE1 4.38Å; F222-Y510 PolarHBondContact N-OH 3.29Å; F222-Y511 HydrophobicContact CE1-CD2 4.46Å; F222-Y511 HydrophobicContact CE1-CE2 4.28Å
223	Y	92.9	Very high	89.6	Confident	19 Å²	19	61.5 Å²	61.5	8%	0.075	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-24.3	-170.8	-69.2	-73.9	0	0	0	114	L226 I263 Y510 L533	Y223-L226 HydrophobicContact CD1-CD1 4.36Å; Y223-I263 HydrophobicContact CD1-CD1 3.88Å; Y223-I263 HydrophobicContact CD1-CG1 4.3Å; Y223-I263 HydrophobicContact CE1-CD1 3.64Å; Y223-I263 HydrophobicContact CE1-CG1 3.54Å; Y223-Y510 HydrophobicContact CD2-CE2 4.12Å; Y223-Y510 VanDerWaalsContact CE2-O 3.26Å; Y223-Y510 WeakPolarHBondContact CE2-O 3.25Å; Y223-L533 HydrophobicContact CD1-CD2 4.13Å; Y223-L533 HydrophobicContact CD2-CD1 3.75Å; Y223-L533 HydrophobicContact CD2-CD2 3.63Å; Y223-L533 HydrophobicContact CD2-CG 4.24Å; Y223-L533 HydrophobicContact CE1-CD2 4.34Å; Y223-L533 HydrophobicContact CE2-CB 4.27Å; Y223-L533 HydrophobicContact CE2-CD1 3.92Å; Y223-L533 HydrophobicContact CE2-CD2 3.85Å; Y223-L533 HydrophobicContact CE2-CG 4.24Å; Y223-L533 HydrophobicContact CG-CD2 3.75Å
224	N	92.8	Very high	90	Very high	88 Å²	88	58.1 Å²	58.1	47%	0.471	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-7	177	-61.7	-40	0	0	0	113.8	D221 F222	D221-N224 VanDerWaalsContact CG-ND2 3.31Å; D221-N224 WeakPolarHBondContact OD1-CB 3.13Å; D221-N224 PolarHBondContact OD1-ND2 3.06Å; D221-N224 WeakPolarHBondContact OD2-CB 3.48Å; D221-N224 PolarHBondContact OD2-ND2 3.48Å; F222-N224 VanDerWaalsContact C-N 3.31Å; F222-N224 PolarHBondContact O-N 3.02Å
225	N	93.8	Very high	90.3	Very high	40 Å²	40	53.8 Å²	53.8	21%	0.214	29%	0.293	C	S	.	.	S	Bend	trans	-128.7	17.6	-175.3	-59.9	-69.9	0	0	0	112.9	D221 F222 D227 K228 F229	D221-N225 WeakPolarHBondContact O-CB 3Å; D221-N225 PolarHBondContact O-ND2 3.43Å; F222-N225 PolarHBondContact O-N 3.44Å; N225-D227 PolarHBondContact O-N 2.97Å; N225-D227 VanDerWaalsContact O-N 3.1Å; N225-K228 HydrophobicContact CB-CB 4.38Å; N225-K228 HydrophobicContact CB-CD 4.16Å; N225-K228 PolarHBondContact O-N 2.95Å; N225-K228 WeakPolarHBondContact OD1-CD 3.26Å; N225-K228 PolarHBondContact OD1-NZ 2.99Å; N225-F229 HydrophobicContact CB-CE2 4.02Å; N225-F229 HydrophobicContact CB-CZ 4.3Å; N225-F229 WeakPolarHBondContact O-CD2 3.25Å; N225-F229 VanDerWaalsContact O-CE2 3.31Å; N225-F229 WeakPolarHBondContact O-CE2 3.41Å; N225-F229 PolarHBondContact O-N 3.47Å
226	L	92.8	Very high	90.5	Very high	11 Å²	11	55 Å²	55	6%	0.058	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-35.5	-177.3	-68.6	176.5	0	0	0	113.6	F222 Y223 V266 H270 M271	F222-L226 HydrophobicContact CD1-CD2 4.09Å; F222-L226 HydrophobicContact CD2-CD2 4.11Å; F222-L226 HydrophobicContact CE1-CD2 3.78Å; F222-L226 HydrophobicContact CE2-CD2 3.78Å; F222-L226 HydrophobicContact CG-CD2 4.27Å; F222-L226 HydrophobicContact CZ-CD2 3.61Å; F222-L226 WeakPolarHBondContact O-CD2 3.45Å; F222-L226 PolarHBondContact O-N 3.08Å; Y223-L226 HydrophobicContact CD1-CD1 4.36Å; L226-V266 HydrophobicContact CD1-CG1 3.84Å; L226-H270 HydrophobicContact CB-CB 4.13Å; L226-M271 HydrophobicContact CB-CE 4.45Å; L226-M271 HydrophobicContact CD2-CE 3.63Å
227	D	92.2	Very high	90.9	Very high	118 Å²	118	60.5 Å²	60.5	63%	0.631	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-12.3	179.8	62.9	-42.2	0	0	0	114.1	N225	N225-D227 PolarHBondContact O-N 2.97Å; N225-D227 VanDerWaalsContact O-N 3.1Å
228	K	93.6	Very high	91.4	Very high	139 Å²	139	60.7 Å²	60.7	60%	0.604	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-12.9	-175	-61.3	172.5	-171.6	146.6	0	113.6	N225	N225-K228 HydrophobicContact CB-CB 4.38Å; N225-K228 HydrophobicContact CB-CD 4.16Å; N225-K228 PolarHBondContact O-N 2.95Å; N225-K228 WeakPolarHBondContact OD1-CD 3.26Å; N225-K228 PolarHBondContact OD1-NZ 2.99Å
229	F	93.1	Very high	92.2	Very high	30 Å²	30	65.6 Å²	65.6	13%	0.132	33%	0.329	C	S	.	.			trans	-71.6	133.3	-179.8	-70.8	-71.1	0	0	0	111.6	L215 V220 F222 N225 I231 E234 M271	L215-F229 HydrophobicContact CD1-CD1 4.24Å; L215-F229 HydrophobicContact CD1-CD2 4.48Å; L215-F229 HydrophobicContact CD1-CE1 4.33Å; L215-F229 HydrophobicContact CD1-CG 4.32Å; L215-F229 HydrophobicContact CD1-CZ 4.47Å; L215-F229 HydrophobicContact CD2-CD1 4.14Å; L215-F229 HydrophobicContact CD2-CE1 3.84Å; L215-F229 HydrophobicContact CD2-CZ 4.43Å; V220-F229 HydrophobicContact CG1-CE1 3.9Å; V220-F229 HydrophobicContact CG1-CZ 3.68Å; F222-F229 AromaticContact CD2-CE2 3.91Å; F222-F229 HydrophobicContact CD2-CE2 3.91Å; F222-F229 HydrophobicContact CD2-CZ 4.28Å; F222-F229 HydrophobicContact CE2-CE2 4.44Å; N225-F229 HydrophobicContact CB-CE2 4.02Å; N225-F229 HydrophobicContact CB-CZ 4.3Å; N225-F229 WeakPolarHBondContact O-CD2 3.25Å; N225-F229 VanDerWaalsContact O-CE2 3.31Å; N225-F229 WeakPolarHBondContact O-CE2 3.41Å; N225-F229 PolarHBondContact O-N 3.47Å; F229-I231 PolarHBondContact O-N 3.31Å; F229-E234 HydrophobicContact CD1-CG 4.09Å; F229-M271 HydrophobicContact CB-CE 4.43Å; F229-M271 HydrophobicContact CD2-CE 3.78Å; F229-M271 HydrophobicContact CG-CE 4.42Å
230	N	94.8	Very high	93.2	Very high	92 Å²	92	59.7 Å²	59.7	49%	0.492	30%	0.297	S	S	.	.			trans	-86.8	96.9	163.8	-177	-36.4	0	0	0	108.4	D232 K233 E234	N230-D232 PolarHBondContact O-N 3.13Å; N230-D232 PolarHBondContact OD1-N 3.32Å; N230-K233 HydrophobicContact CB-CB 3.97Å; N230-K233 WeakPolarHBondContact O-CB 3.08Å; N230-K233 PolarHBondContact O-N 3.16Å; N230-K233 VanDerWaalsContact O-N 3.17Å; N230-K233 WeakPolarHBondContact OD1-CB 3.49Å; N230-K233 PolarHBondContact OD1-N 3.46Å; N230-K233 VanDerWaalsContact OD1-N 3.1Å; N230-E234 WeakPolarHBondContact O-CG 3.48Å; N230-E234 PolarHBondContact O-N 2.93Å
231	I	94.8	Very high	93.9	Very high	10 Å²	10	62.4 Å²	62.4	5%	0.051	30%	0.302	C	S	.	.	H	α-helix	trans	-63.6	-41	-166.6	-63.2	158.1	0	0	0	112	L211 F229 E234 A235 Y244 H270 M271 H273	L211-I231 HydrophobicContact CD1-CB 4.33Å; L211-I231 HydrophobicContact CD1-CG2 3.25Å; F229-I231 PolarHBondContact O-N 3.31Å; I231-E234 PolarHBondContact O-N 3.44Å; I231-A235 WeakPolarHBondContact O-CB 3.39Å; I231-A235 PolarHBondContact O-N 3.11Å; I231-Y244 HydrophobicContact CG2-CD2 4.25Å; I231-Y244 HydrophobicContact CG2-CE1 3.91Å; I231-Y244 HydrophobicContact CG2-CE2 3.39Å; I231-Y244 WeakPolarHBondContact CG2-OH 3.47Å; I231-H270 WeakPolarHBondContact CD1-O 3.43Å; I231-M271 HydrophobicContact CD1-SD 4.43Å; I231-M271 HydrophobicContact CG1-SD 4.05Å; I231-H273 VanDerWaalsContact CD1-CE1 3.49Å; I231-H273 WeakPolarHBondContact CD1-CE1 3.33Å; I231-H273 WeakPolarHBondContact CD1-NE2 3.37Å
232	D	94.8	Very high	94.2	Very high	66 Å²	66	59.8 Å²	59.8	35%	0.353	29%	0.288	S	S	.	.	H	α-helix	trans	-63.9	-42.6	176.8	-60.4	-72.4	0	0	0	111.5	N230 G236 Y241	N230-D232 PolarHBondContact O-N 3.13Å; N230-D232 PolarHBondContact OD1-N 3.32Å; D232-G236 PolarHBondContact O-N 3.28Å; D232-Y241 HydrophobicContact CB-CE2 3.82Å; D232-Y241 WeakPolarHBondContact OD1-CE2 3.31Å
233	K	95.9	Very high	94.5	Very high	116 Å²	116	61.5 Å²	61.5	50%	0.504	30%	0.295	S	S	.	.	H	α-helix	trans	-63.8	-48.6	175.3	-177.6	-177.2	171.1	-173.8	0	111.3	N230 A235 G236 E237	N230-K233 HydrophobicContact CB-CB 3.97Å; N230-K233 WeakPolarHBondContact O-CB 3.08Å; N230-K233 PolarHBondContact O-N 3.16Å; N230-K233 VanDerWaalsContact O-N 3.17Å; N230-K233 WeakPolarHBondContact OD1-CB 3.49Å; N230-K233 PolarHBondContact OD1-N 3.46Å; N230-K233 VanDerWaalsContact OD1-N 3.1Å; K233-A235 VanDerWaalsContact C-N 3.29Å; K233-A235 PolarHBondContact O-N 3.23Å; K233-G236 PolarHBondContact O-N 2.86Å; K233-E237 WeakPolarHBondContact CE-OE1 3.32Å; K233-E237 HydrophobicContact CG-CG 4.31Å; K233-E237 IonicContact NZ-OE1 3Å; K233-E237 WeakPolarHBondContact O-CG 3.44Å; K233-E237 PolarHBondContact O-N 2.92Å
234	E	94.6	Very high	94.7	Very high	34 Å²	34	60.7 Å²	60.7	16%	0.159	29%	0.291	C	S	.	.	H	α-helix	trans	-60.9	-38.4	-179.3	-67.2	-62.6	155	0	0	111.9	L211 L215 F229 N230 I231 R238	L211-E234 HydrophobicContact CD2-CB 4.12Å; L215-E234 HydrophobicContact CD2-CB 4.5Å; L215-E234 HydrophobicContact CD2-CG 4.19Å; L215-E234 WeakPolarHBondContact CD2-OE2 3.2Å; F229-E234 HydrophobicContact CD1-CG 4.09Å; N230-E234 WeakPolarHBondContact O-CG 3.48Å; N230-E234 PolarHBondContact O-N 2.93Å; I231-E234 PolarHBondContact O-N 3.44Å; E234-R238 PolarHBondContact O-N 3.36Å; E234-R238 PolarHBondContact O-NH1 3.42Å; E234-R238 IonicContact OE2-CZ 3.73Å; E234-R238 VanDerWaalsContact OE2-CZ 3.27Å; E234-R238 IonicContact OE2-NH1 2.68Å; E234-R238 PolarHBondContact OE2-NH1 3.48Å; E234-R238 IonicContact OE2-NH2 3.53Å; E234-R238 PolarHBondContact OE2-NH2 3.1Å
235	A	95.1	Very high	94.9	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-72.7	-38.4	176.1	0	0	0	0	0	112.5	L211 I231 K233 R238 Q239 I240 Y241 Y244	L211-A235 HydrophobicContact CD1-CB 4.23Å; L211-A235 HydrophobicContact CD2-CB 3.99Å; L211-A235 HydrophobicContact CG-CB 4.42Å; I231-A235 WeakPolarHBondContact O-CB 3.39Å; I231-A235 PolarHBondContact O-N 3.11Å; K233-A235 VanDerWaalsContact C-N 3.29Å; K233-A235 PolarHBondContact O-N 3.23Å; A235-R238 PolarHBondContact O-N 3.22Å; A235-Q239 PolarHBondContact O-N 2.77Å; A235-I240 HydrophobicContact CB-CG1 4.24Å; A235-I240 WeakPolarHBondContact O-CG1 3.37Å; A235-I240 PolarHBondContact O-N 3.49Å; A235-Y241 HydrophobicContact CB-CD2 4.08Å; A235-Y241 PolarHBondContact O-N 3.08Å; A235-Y244 HydrophobicContact CB-CD1 4.19Å; A235-Y244 HydrophobicContact CB-CG 4.08Å
236	G	94.8	Very high	95.1	Very high	26 Å²	26	55.7 Å²	55.7	27%	0.268	27%	0.266	S	S	.	.	H	α-helix	trans	-64.3	-48	176.2	0	0	0	0	0	112.9	D232 K233 R238 Q239	D232-G236 PolarHBondContact O-N 3.28Å; K233-G236 PolarHBondContact O-N 2.86Å; G236-R238 PolarHBondContact O-N 2.84Å; G236-Q239 PolarHBondContact O-N 2.79Å; G236-Q239 PolarHBondContact O-NE2 2.95Å
237	E	94	Very high	95.3	Very high	117 Å²	117	55.2 Å²	55.2	55%	0.547	26%	0.263	S	S	.	.	H	α-helix	trans	-61	-29.7	179.2	-73.6	-178.9	167.3	0	0	112.5	K233	K233-E237 WeakPolarHBondContact CE-OE1 3.32Å; K233-E237 HydrophobicContact CG-CG 4.31Å; K233-E237 IonicContact NZ-OE1 3Å; K233-E237 WeakPolarHBondContact O-CG 3.44Å; K233-E237 PolarHBondContact O-N 2.92Å
238	R	93.1	Very high	95.6	Very high	71 Å²	71	53.1 Å²	53.1	27%	0.268	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	3.3	178.1	-70.5	172.4	-174.7	71.5	-2.3	114.3	E234 A235 G236 I240	E234-R238 PolarHBondContact O-N 3.36Å; E234-R238 PolarHBondContact O-NH1 3.42Å; E234-R238 IonicContact OE2-CZ 3.73Å; E234-R238 VanDerWaalsContact OE2-CZ 3.27Å; E234-R238 IonicContact OE2-NH1 2.68Å; E234-R238 PolarHBondContact OE2-NH1 3.48Å; E234-R238 IonicContact OE2-NH2 3.53Å; E234-R238 PolarHBondContact OE2-NH2 3.1Å; A235-R238 PolarHBondContact O-N 3.22Å; G236-R238 PolarHBondContact O-N 2.84Å; R238-I240 HydrophobicContact CB-CD1 4.18Å; R238-I240 HydrophobicContact CB-CG1 3.94Å; R238-I240 PolarHBondContact O-N 2.87Å
239	Q	94.3	Very high	95.8	Very high	147 Å²	147	47.4 Å²	47.4	69%	0.687	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.1	32.6	-179.2	-55.9	-64.5	-61.8	0	0	113.4	A235 G236 H242	A235-Q239 PolarHBondContact O-N 2.77Å; G236-Q239 PolarHBondContact O-N 2.79Å; G236-Q239 PolarHBondContact O-NE2 2.95Å; Q239-H242 PolarHBondContact O-CE1 2.64Å
240	I	95.7	Very high	96	Very high	6 Å²	6	46 Å²	46	3%	0.031	22%	0.22	C	C	.	.			trans	-119	11.4	178	60.3	172.4	0	0	0	112.4	L210 L211 Y214 A235 R238 H242 R243 Y244	L210-I240 HydrophobicContact CD2-CB 4.19Å; L210-I240 HydrophobicContact CD2-CD1 4.08Å; L210-I240 HydrophobicContact CG-CD1 4.21Å; L211-I240 HydrophobicContact CD2-CD1 3.99Å; Y214-I240 HydrophobicContact CD2-CD1 3.51Å; Y214-I240 HydrophobicContact CE2-CD1 3.75Å; Y214-I240 HydrophobicContact CE2-CG2 4.21Å; Y214-I240 HydrophobicContact CG-CD1 3.98Å; A235-I240 HydrophobicContact CB-CG1 4.24Å; A235-I240 WeakPolarHBondContact O-CG1 3.37Å; A235-I240 PolarHBondContact O-N 3.49Å; R238-I240 HydrophobicContact CB-CD1 4.18Å; R238-I240 HydrophobicContact CB-CG1 3.94Å; R238-I240 PolarHBondContact O-N 2.87Å; I240-H242 VanDerWaalsContact C-N 3.33Å; I240-H242 PolarHBondContact O-N 2.97Å; I240-R243 WeakPolarHBondContact O-CB 3.38Å; I240-R243 PolarHBondContact O-N 3.03Å; I240-Y244 PolarHBondContact O-N 2.78Å
241	Y	97.1	Very high	96.2	Very high	109 Å²	109	41.6 Å²	41.6	43%	0.427	20%	0.196	S	C	.	.	H	α-helix	trans	-53.6	-45.5	-175.3	-173.7	-103.6	0	0	0	113.1	D232 A235 R243 Y244 C245	D232-Y241 HydrophobicContact CB-CE2 3.82Å; D232-Y241 WeakPolarHBondContact OD1-CE2 3.31Å; A235-Y241 HydrophobicContact CB-CD2 4.08Å; A235-Y241 PolarHBondContact O-N 3.08Å; Y241-R243 PolarHBondContact O-N 3.37Å; Y241-Y244 WeakPolarHBondContact O-CB 3.39Å; Y241-Y244 PolarHBondContact O-N 2.86Å; Y241-C245 VanDerWaalsContact CE1-SG 3.56Å; Y241-C245 WeakPolarHBondContact O-CB 3.47Å; Y241-C245 PolarHBondContact O-N 3.42Å; Y241-C245 PolarHBondContact O-SG 3.05Å
242	H	96.5	Very high	96.3	Very high	17 Å²	17	45.6 Å²	45.6	8%	0.079	21%	0.214	C	C	.	.	H	α-helix	trans	-63.9	-38	177.7	56.3	-70.9	0	0	0	112.9	G142 L143 D147 Q239 I240 C245 M246	G142-H242 WeakPolarHBondContact O-CB 3.47Å; L143-H242 HydrophobicContact CD2-CB 4.14Å; D147-H242 IonicContact OD2-CD2 3.16Å; D147-H242 IonicContact OD2-CE1 2.66Å; D147-H242 IonicContact OD2-NE2 2.88Å; D147-H242 PolarHBondContact OD2-NE2 2.71Å; Q239-H242 PolarHBondContact O-CE1 2.64Å; I240-H242 VanDerWaalsContact C-N 3.33Å; I240-H242 PolarHBondContact O-N 2.97Å; H242-C245 PolarHBondContact O-N 3.06Å; H242-M246 WeakPolarHBondContact O-CG 3.48Å; H242-M246 PolarHBondContact O-N 3.11Å
243	R	97.5	Very high	96.4	Very high	36 Å²	36	44.3 Å²	44.3	14%	0.136	21%	0.21	C	C	.	.	H	α-helix	trans	-67.2	-44.1	175.6	-59.4	179.6	-179.3	-150.6	-7.3	111.3	D147 E149 W184 L210 I240 Y241 C245 M246 E247	D147-R243 VanDerWaalsContact CG-NH2 3.28Å; D147-R243 IonicContact OD1-CZ 2.64Å; D147-R243 IonicContact OD1-NE 2.78Å; D147-R243 IonicContact OD1-NH2 3.1Å; D147-R243 PolarHBondContact OD1-NH2 3.16Å; D147-R243 IonicContact OD2-CZ 2.67Å; D147-R243 VanDerWaalsContact OD2-CZ 3.31Å; D147-R243 IonicContact OD2-NE 2.71Å; D147-R243 PolarHBondContact OD2-NE 2.86Å; D147-R243 IonicContact OD2-NH2 3.38Å; D147-R243 PolarHBondContact OD2-NH2 2.99Å; E149-R243 IonicContact OE2-CZ 2.86Å; E149-R243 IonicContact OE2-NH1 3.87Å; E149-R243 PolarHBondContact OE2-NH1 2.52Å; E149-R243 IonicContact OE2-NH2 2.65Å; E149-R243 PolarHBondContact OE2-NH2 2.71Å; W184-R243 HydrophobicContact CE3-CB 4.38Å; W184-R243 HydrophobicContact CH2-CB 4.39Å; W184-R243 HydrophobicContact CH2-CG 3.86Å; W184-R243 HydrophobicContact CZ2-CG 4.33Å; W184-R243 HydrophobicContact CZ3-CB 4.29Å; W184-R243 HydrophobicContact CZ3-CG 4.01Å; L210-R243 HydrophobicContact CD2-CB 3.47Å; L210-R243 VanDerWaalsContact CD2-CB 3.47Å; I240-R243 WeakPolarHBondContact O-CB 3.38Å; I240-R243 PolarHBondContact O-N 3.03Å; Y241-R243 PolarHBondContact O-N 3.37Å; R243-C245 VanDerWaalsContact C-N 3.34Å; R243-C245 PolarHBondContact O-N 3.35Å; R243-M246 HydrophobicContact CB-CE 4.48Å; R243-M246 HydrophobicContact CG-CE 4.35Å; R243-M246 PolarHBondContact O-N 3.37Å; R243-E247 PolarHBondContact O-N 3.19Å
244	Y	97.2	Very high	96.5	Very high	1 Å²	1	39 Å²	39	0%	0.004	19%	0.187	C	C	.	.	H	α-helix	trans	-58.4	-45.5	173.3	165.6	-102.5	0	0	0	111.7	L211 I231 A235 I240 Y241 M246 E247 R248 M271 L272	L211-Y244 HydrophobicContact CD1-CD2 3.56Å; L211-Y244 HydrophobicContact CD1-CE2 3.77Å; L211-Y244 HydrophobicContact CD1-CG 4.17Å; L211-Y244 HydrophobicContact CG-CD2 4.16Å; I231-Y244 HydrophobicContact CG2-CD2 4.25Å; I231-Y244 HydrophobicContact CG2-CE1 3.91Å; I231-Y244 HydrophobicContact CG2-CE2 3.39Å; I231-Y244 WeakPolarHBondContact CG2-OH 3.47Å; A235-Y244 HydrophobicContact CB-CD1 4.19Å; A235-Y244 HydrophobicContact CB-CG 4.08Å; I240-Y244 PolarHBondContact O-N 2.78Å; Y241-Y244 WeakPolarHBondContact O-CB 3.39Å; Y241-Y244 PolarHBondContact O-N 2.86Å; Y244-M246 VanDerWaalsContact C-N 3.32Å; Y244-M246 PolarHBondContact O-N 2.89Å; Y244-E247 WeakPolarHBondContact O-CB 3.34Å; Y244-E247 PolarHBondContact O-N 3.29Å; Y244-R248 WeakPolarHBondContact O-CB 3.05Å; Y244-R248 PolarHBondContact O-N 2.84Å; Y244-R248 WeakPolarHBondContact OH-CD 3.28Å; Y244-R248 PolarHBondContact OH-NH1 3.5Å; Y244-M271 VanDerWaalsContact CE2-O 3.3Å; Y244-M271 WeakPolarHBondContact CE2-O 2.88Å; Y244-M271 PolarHBondContact OH-O 3.25Å; Y244-L272 HydrophobicContact CD2-CD2 4.46Å; Y244-L272 HydrophobicContact CE2-CD2 4.02Å
245	C	97.5	Very high	96.7	Very high	23 Å²	23	38.8 Å²	38.8	16%	0.155	19%	0.187	C	C	.	.	H	α-helix	trans	-60.9	-40.7	176.9	-70.7	0	0	0	0	111.9	I141 Y241 H242 R243 A249	I141-C245 HydrophobicContact CD1-CB 3.88Å; I141-C245 WeakPolarHBondContact CD1-O 3.5Å; I141-C245 HydrophobicContact CG1-CB 3.95Å; I141-C245 HydrophobicContact CG2-CB 4.12Å; Y241-C245 VanDerWaalsContact CE1-SG 3.56Å; Y241-C245 WeakPolarHBondContact O-CB 3.47Å; Y241-C245 PolarHBondContact O-N 3.42Å; Y241-C245 PolarHBondContact O-SG 3.05Å; H242-C245 PolarHBondContact O-N 3.06Å; R243-C245 VanDerWaalsContact C-N 3.34Å; R243-C245 PolarHBondContact O-N 3.35Å; C245-A249 WeakPolarHBondContact O-CB 3.05Å; C245-A249 PolarHBondContact O-N 3.34Å
246	M	97.3	Very high	96.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-64.1	-44.2	175.2	-72.3	-173.3	-69.6	0	0	112.1	I141 L143 A150 W184 P188 H242 R243 Y244 A249 A250	I141-M246 HydrophobicContact CD1-CG 4.45Å; I141-M246 HydrophobicContact CG2-CG 4.03Å; L143-M246 HydrophobicContact CD2-CE 3.84Å; L143-M246 HydrophobicContact CD2-SD 3.82Å; A150-M246 HydrophobicContact CB-CE 3.86Å; W184-M246 HydrophobicContact CE3-CE 3.81Å; W184-M246 HydrophobicContact CZ3-CE 3.53Å; P188-M246 HydrophobicContact CG-SD 3.88Å; H242-M246 WeakPolarHBondContact O-CG 3.48Å; H242-M246 PolarHBondContact O-N 3.11Å; R243-M246 HydrophobicContact CB-CE 4.48Å; R243-M246 HydrophobicContact CG-CE 4.35Å; R243-M246 PolarHBondContact O-N 3.37Å; Y244-M246 VanDerWaalsContact C-N 3.32Å; Y244-M246 PolarHBondContact O-N 2.89Å; M246-A249 PolarHBondContact O-N 2.93Å; M246-A250 WeakPolarHBondContact O-CB 3.46Å; M246-A250 PolarHBondContact O-N 3.39Å
247	E	98.1	Very high	97	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-58	-53.3	175.4	-175.8	178.8	-134.3	0	0	110.9	W184 T209 L210 R243 Y244 A249 A250 V251 L272	W184-E247 HydrophobicContact CB-CB 3.69Å; W184-E247 HydrophobicContact CB-CG 4.14Å; T209-E247 WeakPolarHBondContact CA-OE1 3.49Å; L210-E247 VanDerWaalsContact CB-OE2 3.31Å; L210-E247 WeakPolarHBondContact CB-OE2 3.31Å; L210-E247 PolarHBondContact N-OE1 2.82Å; L210-E247 PolarHBondContact N-OE2 3.33Å; R243-E247 PolarHBondContact O-N 3.19Å; Y244-E247 WeakPolarHBondContact O-CB 3.34Å; Y244-E247 PolarHBondContact O-N 3.29Å; E247-A249 PolarHBondContact O-N 3.25Å; E247-A250 PolarHBondContact O-N 3.41Å; E247-V251 WeakPolarHBondContact O-CG2 3.44Å; E247-V251 PolarHBondContact O-N 2.83Å; E247-L272 HydrophobicContact CG-CD1 4.21Å; E247-L272 HydrophobicContact CG-CD2 3.9Å; E247-L272 WeakPolarHBondContact OE2-CD2 3.43Å
248	R	97.9	Very high	97.2	Very high	74 Å²	74	32 Å²	32	28%	0.279	15%	0.148	S	C	.	.	H	α-helix	trans	-61.5	-44.2	179.2	-171.7	-173.5	-175.8	164.4	-9.1	111.6	Y244 A250 V251 H252 L272 H273	Y244-R248 WeakPolarHBondContact O-CB 3.05Å; Y244-R248 PolarHBondContact O-N 2.84Å; Y244-R248 WeakPolarHBondContact OH-CD 3.28Å; Y244-R248 PolarHBondContact OH-NH1 3.5Å; R248-A250 PolarHBondContact O-N 3.34Å; R248-V251 WeakPolarHBondContact O-CB 3.42Å; R248-V251 PolarHBondContact O-N 3.15Å; R248-H252 PolarHBondContact O-CD2 2.97Å; R248-H252 PolarHBondContact O-N 3.04Å; R248-L272 HydrophobicContact CB-CD2 4.47Å; R248-H273 PolarHBondContact NH1-CD2 2.86Å; R248-H273 PolarHBondContact NH2-CD2 2.96Å
249	A	97.8	Very high	97.4	Very high	20 Å²	20	28.6 Å²	28.6	17%	0.165	14%	0.135	C	C	.	.	H	α-helix	trans	-62	-44.3	178.3	0	0	0	0	0	111.4	I141 I191 C245 M246 E247 V251 H252 C253	I141-A249 HydrophobicContact CD1-CB 3.79Å; I191-A249 HydrophobicContact CD1-CB 3.55Å; I191-A249 HydrophobicContact CG1-CB 4.01Å; C245-A249 WeakPolarHBondContact O-CB 3.05Å; C245-A249 PolarHBondContact O-N 3.34Å; M246-A249 PolarHBondContact O-N 2.93Å; E247-A249 PolarHBondContact O-N 3.25Å; A249-V251 VanDerWaalsContact C-N 3.32Å; A249-V251 PolarHBondContact O-N 3.18Å; A249-H252 PolarHBondContact O-N 3.19Å; A249-C253 VanDerWaalsContact O-CB 3.29Å; A249-C253 WeakPolarHBondContact O-CB 3.26Å; A249-C253 PolarHBondContact O-N 3.48Å; A249-C253 PolarHBondContact O-SG 3.42Å
250	A	97.9	Very high	97.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-60.5	-42.6	176.1	0	0	0	0	0	111.9	I191 F204 M246 E247 R248 H252 C253 A254	I191-A250 HydrophobicContact CD1-CB 4.34Å; I191-A250 HydrophobicContact CG1-CB 4.28Å; F204-A250 HydrophobicContact CD2-CB 3.88Å; F204-A250 HydrophobicContact CE1-CB 4.39Å; F204-A250 HydrophobicContact CE2-CB 3.6Å; F204-A250 HydrophobicContact CG-CB 4.4Å; F204-A250 HydrophobicContact CZ-CB 3.87Å; M246-A250 WeakPolarHBondContact O-CB 3.46Å; M246-A250 PolarHBondContact O-N 3.39Å; E247-A250 PolarHBondContact O-N 3.41Å; R248-A250 PolarHBondContact O-N 3.34Å; A250-H252 PolarHBondContact O-N 3.44Å; A250-C253 PolarHBondContact O-N 3.48Å; A250-A254 PolarHBondContact O-N 3.31Å; A250-A254 VanDerWaalsContact O-N 3.08Å
251	V	97.9	Very high	97.5	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-57.7	-46.6	174	168.1	0	0	0	0	111.9	F204 E247 R248 A249 F257 L272 R274	F204-V251 HydrophobicContact CD1-CB 4.44Å; F204-V251 HydrophobicContact CD1-CG2 3.6Å; F204-V251 HydrophobicContact CE1-CG2 3.44Å; F204-V251 VanDerWaalsContact CE1-CG2 3.44Å; E247-V251 WeakPolarHBondContact O-CG2 3.44Å; E247-V251 PolarHBondContact O-N 2.83Å; R248-V251 WeakPolarHBondContact O-CB 3.42Å; R248-V251 PolarHBondContact O-N 3.15Å; A249-V251 VanDerWaalsContact C-N 3.32Å; A249-V251 PolarHBondContact O-N 3.18Å; V251-F257 HydrophobicContact CB-CD2 4.4Å; V251-F257 HydrophobicContact CB-CE2 4.4Å; V251-F257 HydrophobicContact CG1-CD1 3.74Å; V251-F257 HydrophobicContact CG1-CD2 4.01Å; V251-F257 HydrophobicContact CG1-CE1 3.8Å; V251-F257 HydrophobicContact CG1-CE2 4.1Å; V251-F257 HydrophobicContact CG1-CG 3.85Å; V251-F257 HydrophobicContact CG1-CZ 4Å; V251-F257 HydrophobicContact CG2-CD2 3.94Å; V251-F257 HydrophobicContact CG2-CE2 3.55Å; V251-F257 HydrophobicContact CG2-CZ 3.89Å; V251-L272 HydrophobicContact CG1-CB 4.33Å; V251-L272 HydrophobicContact CG2-CB 4.43Å; V251-L272 HydrophobicContact CG2-CD1 3.83Å; V251-R274 HydrophobicContact CG1-CB 3.59Å; V251-R274 HydrophobicContact CG1-CG 4.14Å; V251-R274 WeakPolarHBondContact O-CD 3.47Å; V251-R274 PolarHBondContact O-NH1 2.89Å
252	H	97.9	Very high	97.3	Very high	94 Å²	94	21 Å²	21	44%	0.435	10%	0.104	S	C	.	.	H	α-helix	trans	-77.2	-29.1	-177.7	-79.1	-93.2	0	0	0	113	R248 A249 A250 L272 H273	R248-H252 PolarHBondContact O-CD2 2.97Å; R248-H252 PolarHBondContact O-N 3.04Å; A249-H252 PolarHBondContact O-N 3.19Å; A250-H252 PolarHBondContact O-N 3.44Å; H252-L272 PolarHBondContact NE2-O 3.32Å; H252-H273 PolarHBondContact CE1-O 3.23Å
253	C	97.1	Very high	97.1	Very high	38 Å²	38	20.3 Å²	20.3	26%	0.257	10%	0.1	S	C	.	.	H	α-helix	trans	-76.7	-19.1	175.7	-70.5	0	0	0	0	113.2	L190 R194 A249 A250	L190-C253 HydrophobicContact CD2-CB 3.36Å; R194-C253 HydrophobicContact CB-CB 4.19Å; R194-C253 HydrophobicContact CG-CB 4.19Å; R194-C253 VanDerWaalsContact CG-O 3.3Å; R194-C253 WeakPolarHBondContact CG-O 3.3Å; R194-C253 PolarHBondContact NH1-O 3.18Å; A249-C253 VanDerWaalsContact O-CB 3.29Å; A249-C253 WeakPolarHBondContact O-CB 3.26Å; A249-C253 PolarHBondContact O-N 3.48Å; A249-C253 PolarHBondContact O-SG 3.42Å; A250-C253 PolarHBondContact O-N 3.48Å
254	A	98.1	Very high	97	Very high	4 Å²	4	18.6 Å²	18.6	3%	0.033	9%	0.094	C	C	.	.			trans	-69.6	140.7	-177.8	0	0	0	0	0	112.5	L190 F204 A250 V256 R274	L190-A254 HydrophobicContact CD1-CB 3.94Å; L190-A254 HydrophobicContact CD2-CB 4.49Å; F204-A254 HydrophobicContact CB-CB 3.52Å; A250-A254 PolarHBondContact O-N 3.31Å; A250-A254 VanDerWaalsContact O-N 3.08Å; A254-V256 VanDerWaalsContact C-N 3.3Å; A254-V256 WeakPolarHBondContact CB-O 3.32Å; A254-R274 PolarHBondContact O-NH1 2.8Å; A254-R274 PolarHBondContact O-NH2 3.05Å
255	H	97.8	Very high	97	Very high	31 Å²	31	19 Å²	19	14%	0.144	10%	0.097	C	C	.	.	S	Bend	trans	-64	-41.6	169.3	-66.1	98.6	0	0	0	110.5	R194 M200 T202 R274 R617	R194-H255 PolarHBondContact NH1-CD2 2.83Å; R194-H255 PolarHBondContact NH1-CE1 2.9Å; R194-H255 PolarHBondContact NH1-ND1 2.85Å; R194-H255 PolarHBondContact NH1-NE2 2.94Å; M200-H255 PolarHBondContact O-CE1 2.9Å; M200-H255 VanDerWaalsContact O-CE1 3.31Å; T202-H255 PolarHBondContact N-ND1 2.79Å; T202-H255 VanDerWaalsContact N-ND1 3.11Å; T202-H255 WeakPolarHBondContact O-CB 3.14Å; T202-H255 PolarHBondContact O-N 2.98Å; T202-H255 PolarHBondContact OG1-N 2.96Å; T202-H255 VanDerWaalsContact OG1-N 3.09Å; T202-H255 PolarHBondContact OG1-ND1 3.49Å; H255-R274 PolarHBondContact O-NH2 3.28Å; H255-R617 HydrophobicContact CB-CB 4.45Å; H255-R617 WeakPolarHBondContact O-CD 3.47Å; H255-R617 PolarHBondContact O-NH1 3.28Å
256	V	98.3	Very high	96.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	128	175.1	175.3	0	0	0	0	109.7	T202 V203 F204 A254 T258 D277 A610 L613 A614	T202-V256 PolarHBondContact O-N 3.26Å; T202-V256 VanDerWaalsContact O-N 3.1Å; V203-V256 CarbonylContact C-O 3.51Å; V203-V256 WeakPolarHBondContact CA-O 3.39Å; V203-V256 HydrophobicContact CG1-CB 4.44Å; V203-V256 HydrophobicContact CG1-CG1 4.37Å; V203-V256 HydrophobicContact CG2-CB 4.34Å; F204-V256 PolarHBondContact N-O 3.18Å; A254-V256 VanDerWaalsContact C-N 3.3Å; A254-V256 WeakPolarHBondContact CB-O 3.32Å; V256-T258 HydrophobicContact CG1-CG2 3.88Å; V256-D277 HydrophobicContact CG1-CB 3.99Å; V256-A610 HydrophobicContact CG1-CB 4.25Å; V256-L613 HydrophobicContact CG1-CD2 4.2Å; V256-L613 HydrophobicContact CG2-CB 3.96Å; V256-L613 HydrophobicContact CG2-CD2 3.9Å; V256-L613 HydrophobicContact CG2-CG 3.66Å; V256-A614 HydrophobicContact CB-CB 4.22Å; V256-A614 HydrophobicContact CG2-CB 3.72Å
257	F	98.6	Very high	96.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	133.8	175	172.7	-133.7	0	0	0	110.2	F204 T206 V251 T259 A268 L272 R274 P276 D277	F204-F257 AromaticContact CD1-CD2 3.88Å; F204-F257 HydrophobicContact CD1-CD2 3.88Å; F204-F257 AromaticContact CD1-CE2 3.97Å; F204-F257 HydrophobicContact CD1-CE2 3.97Å; F204-F257 HydrophobicContact CE1-CE2 4.4Å; T206-F257 HydrophobicContact CG2-CE2 3.57Å; T206-F257 HydrophobicContact CG2-CZ 3.66Å; V251-F257 HydrophobicContact CB-CD2 4.4Å; V251-F257 HydrophobicContact CB-CE2 4.4Å; V251-F257 HydrophobicContact CG1-CD1 3.74Å; V251-F257 HydrophobicContact CG1-CD2 4.01Å; V251-F257 HydrophobicContact CG1-CE1 3.8Å; V251-F257 HydrophobicContact CG1-CE2 4.1Å; V251-F257 HydrophobicContact CG1-CG 3.85Å; V251-F257 HydrophobicContact CG1-CZ 4Å; V251-F257 HydrophobicContact CG2-CD2 3.94Å; V251-F257 HydrophobicContact CG2-CE2 3.55Å; V251-F257 HydrophobicContact CG2-CZ 3.89Å; F257-T259 HydrophobicContact CE1-CG2 4.47Å; F257-T259 HydrophobicContact CE2-CG2 4.4Å; F257-T259 HydrophobicContact CZ-CG2 3.89Å; F257-A268 HydrophobicContact CE1-CB 3.93Å; F257-A268 HydrophobicContact CZ-CB 3.8Å; F257-L272 HydrophobicContact CZ-CD1 4.29Å; F257-R274 HydrophobicContact CD1-CB 4.17Å; F257-R274 HydrophobicContact CD1-CG 3.91Å; F257-R274 HydrophobicContact CE1-CB 4.47Å; F257-R274 WeakPolarHBondContact CE1-O 3.44Å; F257-P276 HydrophobicContact CD1-CB 4.1Å; F257-P276 HydrophobicContact CD1-CG 4.04Å; F257-P276 HydrophobicContact CE1-CB 4.15Å; F257-P276 HydrophobicContact CE1-CG 3.6Å; F257-P276 HydrophobicContact CZ-CG 4.19Å; F257-P276 CarbonylContact O-C 3.46Å; F257-D277 PolarHBondContact N-OD2 2.87Å; F257-D277 WeakPolarHBondContact O-CB 3.44Å; F257-D277 PolarHBondContact O-N 2.71Å
258	T	98.3	Very high	96.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	153.8	-177.4	61.9	0	0	0	0	112	V203 F204 T205 T206 V256 V278 T280 A610	V203-T258 HydrophobicContact CG1-CG2 4.16Å; F204-T258 PolarHBondContact O-N 3.31Å; F204-T258 PolarHBondContact O-OG1 3.5Å; F204-T258 VanDerWaalsContact O-OG1 3.06Å; T205-T258 WeakPolarHBondContact CA-O 3.45Å; T205-T258 VanDerWaalsContact CA-OG1 3.31Å; T205-T258 WeakPolarHBondContact CA-OG1 3.33Å; T205-T258 VanDerWaalsContact CB-OG1 3.31Å; T205-T258 WeakPolarHBondContact CB-OG1 3.27Å; T205-T258 PolarHBondContact OG1-OG1 3.39Å; T206-T258 PolarHBondContact N-O 3.36Å; T206-T258 VanDerWaalsContact N-O 3.12Å; V256-T258 HydrophobicContact CG1-CG2 3.88Å; T258-V278 WeakPolarHBondContact CA-O 3.38Å; T258-V278 VanDerWaalsContact CB-O 3.26Å; T258-V278 WeakPolarHBondContact CB-O 3.26Å; T258-V278 HydrophobicContact CG2-CB 3.92Å; T258-T280 HydrophobicContact CG2-CG2 4.23Å; T258-A610 HydrophobicContact CG2-CB 3.96Å
259	T	98	Very high	96.6	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	158.9	171.1	54.6	0	0	0	0	109.8	T206 F257 S261 T264 A265 A268 P276 V278 V279 T280	T206-T259 HydrophobicContact CG2-CG2 3.61Å; T206-T259 WeakPolarHBondContact O-CA 3.41Å; F257-T259 HydrophobicContact CE1-CG2 4.47Å; F257-T259 HydrophobicContact CE2-CG2 4.4Å; F257-T259 HydrophobicContact CZ-CG2 3.89Å; T259-S261 VanDerWaalsContact C-N 3.34Å; T259-S261 PolarHBondContact O-N 3.16Å; T259-S261 PolarHBondContact OG1-O 3.22Å; T259-S261 VanDerWaalsContact OG1-O 3.09Å; T259-T264 HydrophobicContact CG2-CG2 4Å; T259-A265 WeakPolarHBondContact OG1-CB 3.48Å; T259-A268 HydrophobicContact CG2-CB 4.02Å; T259-P276 HydrophobicContact CG2-CB 4.13Å; T259-P276 HydrophobicContact CG2-CG 3.38Å; T259-V278 PolarHBondContact N-O 3.07Å; T259-V279 CarbonylContact O-C 3.6Å; T259-V279 VanDerWaalsContact O-CA 3.27Å; T259-V279 WeakPolarHBondContact O-CA 3.37Å; T259-T280 PolarHBondContact O-N 3.1Å; T259-T280 PolarHBondContact O-OG1 3.12Å
260	V	96.4	Very high	96.5	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.006	11%	0.113	C	C	.	.	S	Bend	trans	-81	-11.6	-178.7	-62.8	0	0	0	0	114.9	T205 H207 T280 P281 P513 W514	T205-V260 HydrophobicContact CG2-CG1 4.09Å; H207-V260 HydrophobicContact CB-CG1 4.37Å; H207-V260 WeakPolarHBondContact ND1-CG1 3.46Å; H207-V260 WeakPolarHBondContact O-CG2 3.31Å; V260-T280 WeakPolarHBondContact CA-O 3.22Å; V260-P281 WeakPolarHBondContact O-CA 3.43Å; V260-P513 HydrophobicContact CG2-CB 4.37Å; V260-W514 HydrophobicContact CG2-CB 4.3Å
261	S	95.1	Very high	96.3	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.014	11%	0.113	C	C	.	.	S	Bend	trans	-152.1	165.9	177	70.7	0	0	0	0	112.4	T259 I263 T264 A265 P513	T259-S261 VanDerWaalsContact C-N 3.34Å; T259-S261 PolarHBondContact O-N 3.16Å; T259-S261 PolarHBondContact OG1-O 3.22Å; T259-S261 VanDerWaalsContact OG1-O 3.09Å; S261-I263 VanDerWaalsContact OG-CG2 3.32Å; S261-I263 WeakPolarHBondContact OG-CG2 3.49Å; S261-T264 WeakPolarHBondContact OG-CB 3.49Å; S261-T264 PolarHBondContact OG-N 2.87Å; S261-T264 PolarHBondContact OG-OG1 3.42Å; S261-A265 PolarHBondContact O-N 2.89Å; S261-P513 WeakPolarHBondContact CB-O 3.43Å; S261-P513 PolarHBondContact OG-O 3.17Å
262	Q	91.7	Very high	96.2	Very high	100 Å²	100	22.9 Å²	22.9	47%	0.467	11%	0.113	S	C	.	.	H	α-helix	trans	-69	-34.4	176.5	-172	60.2	13.2	0	0	112.5	A265 V266	Q262-A265 WeakPolarHBondContact O-CB 3.17Å; Q262-A265 PolarHBondContact O-N 3.21Å; Q262-V266 WeakPolarHBondContact O-CG2 3.39Å; Q262-V266 PolarHBondContact O-N 2.85Å
263	I	93.4	Very high	96.1	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-67.7	-42.3	176.8	-168.9	63.7	0	0	0	110.9	Y223 S261 A265 V266 E267 L533	Y223-I263 HydrophobicContact CD1-CD1 3.88Å; Y223-I263 HydrophobicContact CD1-CG1 4.3Å; Y223-I263 HydrophobicContact CE1-CD1 3.64Å; Y223-I263 HydrophobicContact CE1-CG1 3.54Å; S261-I263 VanDerWaalsContact OG-CG2 3.32Å; S261-I263 WeakPolarHBondContact OG-CG2 3.49Å; I263-A265 VanDerWaalsContact C-N 3.26Å; I263-A265 PolarHBondContact O-N 3.5Å; I263-V266 WeakPolarHBondContact O-CB 3.19Å; I263-V266 PolarHBondContact O-N 3.06Å; I263-E267 PolarHBondContact O-N 3.23Å; I263-L533 HydrophobicContact CD1-CD2 4.01Å; I263-L533 HydrophobicContact CG1-CD2 4.48Å
264	T	95.9	Very high	96.1	Very high	1 Å²	1	23 Å²	23	1%	0.006	11%	0.108	C	C	.	.	H	α-helix	trans	-66	-28.9	172.3	-54	0	0	0	0	111.8	T259 S261 E267 A268	T259-T264 HydrophobicContact CG2-CG2 4Å; S261-T264 WeakPolarHBondContact OG-CB 3.49Å; S261-T264 PolarHBondContact OG-N 2.87Å; S261-T264 PolarHBondContact OG-OG1 3.42Å; T264-E267 WeakPolarHBondContact O-CB 3.15Å; T264-E267 PolarHBondContact O-N 3.13Å; T264-A268 VanDerWaalsContact O-CB 3.29Å; T264-A268 WeakPolarHBondContact O-CB 3.49Å; T264-A268 PolarHBondContact O-N 3.07Å
265	A	95.8	Very high	96	Very high	9 Å²	9	30.2 Å²	30.2	7%	0.074	14%	0.139	C	C	.	.	H	α-helix	trans	-65.7	-40.9	172.8	0	0	0	0	0	112.9	T259 S261 Q262 I263 E267 K269 P276 V279	T259-A265 WeakPolarHBondContact OG1-CB 3.48Å; S261-A265 PolarHBondContact O-N 2.89Å; Q262-A265 WeakPolarHBondContact O-CB 3.17Å; Q262-A265 PolarHBondContact O-N 3.21Å; I263-A265 VanDerWaalsContact C-N 3.26Å; I263-A265 PolarHBondContact O-N 3.5Å; A265-E267 VanDerWaalsContact C-N 3.32Å; A265-K269 PolarHBondContact O-N 3.17Å; A265-K269 VanDerWaalsContact O-N 3.09Å; A265-P276 HydrophobicContact CB-CB 4.48Å; A265-P276 HydrophobicContact CB-CG 3.72Å; A265-V279 HydrophobicContact CB-CG2 4.32Å
266	V	94.8	Very high	96	Very high	32 Å²	32	29.3 Å²	29.3	19%	0.194	14%	0.136	C	C	.	.	H	α-helix	trans	-63.5	-42.8	174.8	173.3	0	0	0	0	110.3	L226 Q262 I263 H270	L226-V266 HydrophobicContact CD1-CG1 3.84Å; Q262-V266 WeakPolarHBondContact O-CG2 3.39Å; Q262-V266 PolarHBondContact O-N 2.85Å; I263-V266 WeakPolarHBondContact O-CB 3.19Å; I263-V266 PolarHBondContact O-N 3.06Å; V266-H270 PolarHBondContact O-ND1 2.86Å
267	E	94.9	Very high	95.8	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	15%	0.145	C	C	.	.	H	α-helix	trans	-61.5	-54.1	176.1	-176.5	-172.4	163.9	0	0	112.1	T209 G212 F222 I263 T264 A265 K269 H270 M271 Y511	T209-E267 VanDerWaalsContact CB-OE1 3.27Å; T209-E267 WeakPolarHBondContact CB-OE1 3.29Å; T209-E267 HydrophobicContact CG2-CB 4.43Å; T209-E267 HydrophobicContact CG2-CG 3.73Å; T209-E267 WeakPolarHBondContact CG2-OE1 3.4Å; T209-E267 PolarHBondContact OG1-OE1 2.48Å; G212-E267 VanDerWaalsContact CA-OE1 3.27Å; G212-E267 WeakPolarHBondContact CA-OE1 3.45Å; F222-E267 HydrophobicContact CE1-CG 3.99Å; F222-E267 HydrophobicContact CZ-CG 3.76Å; I263-E267 PolarHBondContact O-N 3.23Å; T264-E267 WeakPolarHBondContact O-CB 3.15Å; T264-E267 PolarHBondContact O-N 3.13Å; A265-E267 VanDerWaalsContact C-N 3.32Å; E267-K269 VanDerWaalsContact C-N 3.25Å; E267-K269 PolarHBondContact O-N 2.88Å; E267-H270 PolarHBondContact O-N 3.49Å; E267-M271 HydrophobicContact CG-CG 4.07Å; E267-M271 WeakPolarHBondContact O-CG 3.48Å; E267-M271 PolarHBondContact O-N 3.24Å; E267-Y511 PolarHBondContact OE1-OH 3.21Å
268	A	96.4	Very high	95.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-59.1	-35.1	-179.4	0	0	0	0	0	112.7	T209 F257 T259 T264 H270 L272 H273 P276	T209-A268 HydrophobicContact CG2-CB 4.25Å; F257-A268 HydrophobicContact CE1-CB 3.93Å; F257-A268 HydrophobicContact CZ-CB 3.8Å; T259-A268 HydrophobicContact CG2-CB 4.02Å; T264-A268 VanDerWaalsContact O-CB 3.29Å; T264-A268 WeakPolarHBondContact O-CB 3.49Å; T264-A268 PolarHBondContact O-N 3.07Å; A268-H270 PolarHBondContact O-N 3.43Å; A268-L272 HydrophobicContact CB-CD1 4.08Å; A268-L272 CarbonylContact O-C 3.46Å; A268-L272 VanDerWaalsContact O-CA 3.31Å; A268-L272 WeakPolarHBondContact O-CA 3.39Å; A268-L272 VanDerWaalsContact O-CB 3.31Å; A268-L272 WeakPolarHBondContact O-CB 3.39Å; A268-L272 PolarHBondContact O-N 3.41Å; A268-H273 PolarHBondContact O-N 3.04Å; A268-P276 HydrophobicContact CB-CG 4.39Å
269	K	96.6	Very high	95.4	Very high	113 Å²	113	33.1 Å²	33.1	49%	0.491	16%	0.158	S	C	.	.	H	α-helix	trans	-56.8	-40.2	173.9	-178	-170.4	173.4	-166.8	0	112	A265 E267 H273	A265-K269 PolarHBondContact O-N 3.17Å; A265-K269 VanDerWaalsContact O-N 3.09Å; E267-K269 VanDerWaalsContact C-N 3.25Å; E267-K269 PolarHBondContact O-N 2.88Å; K269-H273 WeakPolarHBondContact O-CA 3.32Å; K269-H273 PolarHBondContact O-N 3.23Å
270	H	95.2	Very high	95.3	Very high	54 Å²	54	33.1 Å²	33.1	25%	0.25	16%	0.158	C	C	.	.	H	α-helix	trans	-85.9	-49.3	-178.5	-63	87	0	0	0	111	L226 I231 V266 E267 A268 H273	L226-H270 HydrophobicContact CB-CB 4.13Å; I231-H270 WeakPolarHBondContact CD1-O 3.43Å; V266-H270 PolarHBondContact O-ND1 2.86Å; E267-H270 PolarHBondContact O-N 3.49Å; A268-H270 PolarHBondContact O-N 3.43Å; H270-H273 PolarHBondContact O-CE1 2.85Å; H270-H273 VanDerWaalsContact O-CE1 3.31Å; H270-H273 PolarHBondContact O-ND1 3.23Å
271	M	94	Very high	95.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-76.2	-37.9	-173.1	-59.5	-61	149	0	0	113.4	L215 F222 L226 F229 I231 Y244 E267	L215-M271 HydrophobicContact CD1-SD 4.43Å; F222-M271 HydrophobicContact CE2-CE 3.69Å; F222-M271 HydrophobicContact CE2-SD 4.47Å; F222-M271 HydrophobicContact CZ-CE 4.12Å; L226-M271 HydrophobicContact CB-CE 4.45Å; L226-M271 HydrophobicContact CD2-CE 3.63Å; F229-M271 HydrophobicContact CB-CE 4.43Å; F229-M271 HydrophobicContact CD2-CE 3.78Å; F229-M271 HydrophobicContact CG-CE 4.42Å; I231-M271 HydrophobicContact CD1-SD 4.43Å; I231-M271 HydrophobicContact CG1-SD 4.05Å; Y244-M271 VanDerWaalsContact CE2-O 3.3Å; Y244-M271 WeakPolarHBondContact CE2-O 2.88Å; Y244-M271 PolarHBondContact OH-O 3.25Å; E267-M271 HydrophobicContact CG-CG 4.07Å; E267-M271 WeakPolarHBondContact O-CG 3.48Å; E267-M271 PolarHBondContact O-N 3.24Å
272	L	96.9	Very high	95.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	-106.7	-2.1	-175.6	-52.1	176.2	0	0	0	112	T206 T209 Y244 E247 R248 V251 H252 F257 A268 R274	T206-L272 HydrophobicContact CG2-CD1 4.33Å; T209-L272 HydrophobicContact CG2-CD1 3.91Å; T209-L272 HydrophobicContact CG2-CG 4.3Å; Y244-L272 HydrophobicContact CD2-CD2 4.46Å; Y244-L272 HydrophobicContact CE2-CD2 4.02Å; E247-L272 HydrophobicContact CG-CD1 4.21Å; E247-L272 HydrophobicContact CG-CD2 3.9Å; E247-L272 WeakPolarHBondContact OE2-CD2 3.43Å; R248-L272 HydrophobicContact CB-CD2 4.47Å; V251-L272 HydrophobicContact CG1-CB 4.33Å; V251-L272 HydrophobicContact CG2-CB 4.43Å; V251-L272 HydrophobicContact CG2-CD1 3.83Å; H252-L272 PolarHBondContact NE2-O 3.32Å; F257-L272 HydrophobicContact CZ-CD1 4.29Å; A268-L272 HydrophobicContact CB-CD1 4.08Å; A268-L272 CarbonylContact O-C 3.46Å; A268-L272 VanDerWaalsContact O-CA 3.31Å; A268-L272 WeakPolarHBondContact O-CA 3.39Å; A268-L272 VanDerWaalsContact O-CB 3.31Å; A268-L272 WeakPolarHBondContact O-CB 3.39Å; A268-L272 PolarHBondContact O-N 3.41Å; L272-R274 PolarHBondContact O-N 2.99Å; L272-R274 VanDerWaalsContact O-N 3.12Å
273	H	96	Very high	95.1	Very high	91 Å²	91	28.7 Å²	28.7	42%	0.421	14%	0.137	S	C	.	.	S	Bend	trans	54.7	28.1	177.4	-56.2	-78.1	0	0	0	114.8	I231 R248 H252 A268 K269 H270	I231-H273 VanDerWaalsContact CD1-CE1 3.49Å; I231-H273 WeakPolarHBondContact CD1-CE1 3.33Å; I231-H273 WeakPolarHBondContact CD1-NE2 3.37Å; R248-H273 PolarHBondContact NH1-CD2 2.86Å; R248-H273 PolarHBondContact NH2-CD2 2.96Å; H252-H273 PolarHBondContact CE1-O 3.23Å; A268-H273 PolarHBondContact O-N 3.04Å; K269-H273 WeakPolarHBondContact O-CA 3.32Å; K269-H273 PolarHBondContact O-N 3.23Å; H270-H273 PolarHBondContact O-CE1 2.85Å; H270-H273 VanDerWaalsContact O-CE1 3.31Å; H270-H273 PolarHBondContact O-ND1 3.23Å
274	R	96.8	Very high	94.8	Very high	43 Å²	43	29.6 Å²	29.6	16%	0.162	14%	0.142	C	C	.	.			trans	-138.5	127.5	171.5	-173.9	178.5	169.2	166.3	-2.4	108.4	V251 A254 H255 F257 L272 D277	V251-R274 HydrophobicContact CG1-CB 3.59Å; V251-R274 HydrophobicContact CG1-CG 4.14Å; V251-R274 WeakPolarHBondContact O-CD 3.47Å; V251-R274 PolarHBondContact O-NH1 2.89Å; A254-R274 PolarHBondContact O-NH1 2.8Å; A254-R274 PolarHBondContact O-NH2 3.05Å; H255-R274 PolarHBondContact O-NH2 3.28Å; F257-R274 HydrophobicContact CD1-CB 4.17Å; F257-R274 HydrophobicContact CD1-CG 3.91Å; F257-R274 HydrophobicContact CE1-CB 4.47Å; F257-R274 WeakPolarHBondContact CE1-O 3.44Å; L272-R274 PolarHBondContact O-N 2.99Å; L272-R274 VanDerWaalsContact O-N 3.12Å; R274-D277 IonicContact CZ-OD2 3.15Å; R274-D277 IonicContact NE-OD2 2.83Å; R274-D277 IonicContact NH2-OD2 3.76Å; R274-D277 PolarHBondContact NH2-OD2 3.11Å
275	K	96.6	Very high	94.2	Very high	155 Å²	155	32.3 Å²	32.3	67%	0.674	16%	0.156	S	C	*	.			trans	-71.9	132	170.3	-173.4	-173.8	173.6	-172.6	0	108.2
276	P	96.4	Very high	93.4	Very high	13 Å²	13	32.8 Å²	32.8	8%	0.084	16%	0.158	C	C	.	.			trans	-58.9	143	172.1	-22.2	32.9	0	0	0	111.6	F257 T259 A265 A268	F257-P276 HydrophobicContact CD1-CB 4.1Å; F257-P276 HydrophobicContact CD1-CG 4.04Å; F257-P276 HydrophobicContact CE1-CB 4.15Å; F257-P276 HydrophobicContact CE1-CG 3.6Å; F257-P276 HydrophobicContact CZ-CG 4.19Å; F257-P276 CarbonylContact O-C 3.46Å; T259-P276 HydrophobicContact CG2-CB 4.13Å; T259-P276 HydrophobicContact CG2-CG 3.38Å; A265-P276 HydrophobicContact CB-CB 4.48Å; A265-P276 HydrophobicContact CB-CG 3.72Å; A268-P276 HydrophobicContact CB-CG 4.39Å
277	D	94.9	Very high	92.2	Very high	37 Å²	37	39.3 Å²	39.3	20%	0.198	18%	0.184	C	C	.	.	S	Bend	trans	-76.1	-40.5	175.5	-64.1	-71.8	0	0	0	110.9	V256 F257 R274 L613 R617	V256-D277 HydrophobicContact CG1-CB 3.99Å; F257-D277 PolarHBondContact N-OD2 2.87Å; F257-D277 WeakPolarHBondContact O-CB 3.44Å; F257-D277 PolarHBondContact O-N 2.71Å; R274-D277 IonicContact CZ-OD2 3.15Å; R274-D277 IonicContact NE-OD2 2.83Å; R274-D277 IonicContact NH2-OD2 3.76Å; R274-D277 PolarHBondContact NH2-OD2 3.11Å; D277-L613 HydrophobicContact CB-CD2 4.04Å; D277-R617 IonicContact OD1-CZ 2.71Å; D277-R617 VanDerWaalsContact OD1-CZ 3.28Å; D277-R617 IonicContact OD1-NH1 3.28Å; D277-R617 PolarHBondContact OD1-NH1 2.99Å; D277-R617 IonicContact OD1-NH2 3.56Å; D277-R617 PolarHBondContact OD1-NH2 2.95Å; D277-R617 IonicContact OD2-NH1 2.76Å; D277-R617 PolarHBondContact OD2-NH1 3.45Å
278	V	93.3	Very high	90.5	Very high	8 Å²	8	45.1 Å²	45.1	5%	0.048	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	141.9	-178.3	-173.8	0	0	0	0	109.5	T258 T259 T280 A610 L613	T258-V278 WeakPolarHBondContact CA-O 3.38Å; T258-V278 VanDerWaalsContact CB-O 3.26Å; T258-V278 WeakPolarHBondContact CB-O 3.26Å; T258-V278 HydrophobicContact CG2-CB 3.92Å; T259-V278 PolarHBondContact N-O 3.07Å; V278-T280 HydrophobicContact CG1-CG2 4.26Å; V278-A610 HydrophobicContact CB-CB 4.38Å; V278-A610 HydrophobicContact CG2-CB 4.31Å; V278-L613 HydrophobicContact CG2-CD2 4.11Å
279	V	94.4	Very high	88.5	Confident	35 Å²	35	48.9 Å²	48.9	21%	0.212	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	128.8	165.5	176.9	0	0	0	0	107.9	T259 A265 P281 F606	T259-V279 CarbonylContact O-C 3.6Å; T259-V279 VanDerWaalsContact O-CA 3.27Å; T259-V279 WeakPolarHBondContact O-CA 3.37Å; A265-V279 HydrophobicContact CB-CG2 4.32Å; V279-P281 HydrophobicContact CG1-CG 4.35Å; V279-P281 WeakPolarHBondContact O-CD 3.44Å; V279-F606 WeakPolarHBondContact O-CD1 3.42Å
280	T	95.3	Very high	86.1	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.246	C	C	.	.			trans	-115.9	82.8	-179.4	53.6	0	0	0	0	109.7	T258 T259 V260 V278 F606 Y607	T258-T280 HydrophobicContact CG2-CG2 4.23Å; T259-T280 PolarHBondContact O-N 3.1Å; T259-T280 PolarHBondContact O-OG1 3.12Å; V260-T280 WeakPolarHBondContact CA-O 3.22Å; V278-T280 HydrophobicContact CG1-CG2 4.26Å; T280-F606 HydrophobicContact CG2-CB 4.15Å; T280-Y607 HydrophobicContact CG2-CD2 4.23Å; T280-Y607 HydrophobicContact CG2-CE2 4.31Å
281	P	94.1	Very high	84	Confident	6 Å²	6	48.6 Å²	48.6	4%	0.039	25%	0.246	C	C	.	.			trans	-57.8	144.9	-179.6	-18.6	30.8	0	0	0	111.5	V260 V279 G283 W514 F539 L603 F606	V260-P281 WeakPolarHBondContact O-CA 3.43Å; V279-P281 HydrophobicContact CG1-CG 4.35Å; V279-P281 WeakPolarHBondContact O-CD 3.44Å; P281-G283 PolarHBondContact O-N 3.12Å; P281-W514 HydrophobicContact CB-CH2 3.51Å; P281-W514 HydrophobicContact CB-CZ2 4.29Å; P281-W514 HydrophobicContact CB-CZ3 3.66Å; P281-F539 HydrophobicContact CB-CD2 4.14Å; P281-F539 HydrophobicContact CB-CE2 4.29Å; P281-F539 HydrophobicContact CG-CD2 3.97Å; P281-F539 HydrophobicContact CG-CE2 4.07Å; P281-L603 HydrophobicContact CB-CD1 4.28Å; P281-L603 HydrophobicContact CB-CD2 4.02Å; P281-L603 HydrophobicContact CG-CD2 4.23Å; P281-F606 HydrophobicContact CG-CD2 4.35Å; P281-F606 HydrophobicContact CG-CE2 4.33Å
282	N	93.8	Very high	82.4	Confident	3 Å²	3	53.4 Å²	53.4	2%	0.016	27%	0.27	C	S	.	.			trans	-83	121.8	-179.3	-56.4	-57.1	0	0	0	110.5	V48 W514 Y516 W600	V48-N282 HydrophobicContact CG2-CB 4.28Å; V48-N282 WeakPolarHBondContact CG2-OD1 3.36Å; N282-W514 HydrophobicContact CB-CD2 4.16Å; N282-W514 HydrophobicContact CB-CG 4.01Å; N282-W514 WeakPolarHBondContact ND2-CB 3.34Å; N282-W514 VanDerWaalsContact ND2-CG 3.26Å; N282-W514 VanDerWaalsContact O-CE2 3.25Å; N282-W514 WeakPolarHBondContact O-CZ2 3.48Å; N282-W514 PolarHBondContact O-NE1 3.29Å; N282-Y516 HydrophobicContact CB-CE1 3.79Å; N282-Y516 VanDerWaalsContact CB-OH 3.29Å; N282-Y516 WeakPolarHBondContact CB-OH 3.44Å; N282-Y516 PolarHBondContact ND2-OH 3.02Å; N282-W600 HydrophobicContact CB-CH2 4.49Å
283	G	91.1	Very high	81.3	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.297	C	S	.	.			trans	-85.6	176.2	173.4	0	0	0	0	0	114.3	P281 L598 W600	P281-G283 PolarHBondContact O-N 3.12Å; G283-L598 CarbonylContact C-O 3.57Å; G283-L598 WeakPolarHBondContact CA-O 3.36Å; G283-W600 VanDerWaalsContact C-CE2 3.41Å; G283-W600 VanDerWaalsContact C-NE1 3.26Å; G283-W600 VanDerWaalsContact O-CE2 3.28Å; G283-W600 WeakPolarHBondContact O-CZ2 3.5Å; G283-W600 PolarHBondContact O-NE1 2.87Å; G283-W600 VanDerWaalsContact O-NE1 3.07Å
284	L	88.3	Confident	80.6	Confident	20 Å²	20	58.6 Å²	58.6	11%	0.105	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-129.6	156.5	175.3	-64.9	170.3	0	0	0	108.7	V286 Y516 E520 V523 L598 D599 W600	L284-V286 PolarHBondContact O-N 3.16Å; L284-Y516 HydrophobicContact CD2-CD1 4.23Å; L284-E520 HydrophobicContact CD1-CG 4.3Å; L284-V523 HydrophobicContact CB-CG2 4.45Å; L284-V523 HydrophobicContact CD1-CG2 3.77Å; L284-L598 PolarHBondContact N-O 2.97Å; L284-D599 WeakPolarHBondContact O-CA 3.12Å; L284-W600 PolarHBondContact O-N 3.48Å
285	N	83	Confident	80	Confident	58 Å²	58	57.1 Å²	57.1	31%	0.31	29%	0.289	S	S	.	.			trans	-85	102.3	169.9	-72.8	-17.9	0	0	0	108.6	S51 K287	S51-N285 PolarHBondContact O-ND2 3.05Å; S51-N285 PolarHBondContact O-OD1 2.68Å; N285-K287 PolarHBondContact O-N 3.49Å
286	V	79.7	Confident	79.5	Confident	19 Å²	19	51 Å²	51	12%	0.115	26%	0.262	C	S	.	.			trans	-83	104.5	-179.5	-177.3	0	0	0	0	109	L284 K288 V523 D599	L284-V286 PolarHBondContact O-N 3.16Å; V286-K288 HydrophobicContact CG1-CG 4.41Å; V286-K288 PolarHBondContact O-N 2.87Å; V286-K288 VanDerWaalsContact O-N 3.15Å; V286-V523 HydrophobicContact CG1-CG1 4.22Å; V286-V523 HydrophobicContact CG2-CG1 4.19Å; V286-V523 HydrophobicContact CG2-CG2 3.88Å; V286-D599 HydrophobicContact CB-CB 4.34Å; V286-D599 VanDerWaalsContact CB-OD2 3.29Å; V286-D599 WeakPolarHBondContact CB-OD2 3.37Å; V286-D599 HydrophobicContact CG2-CB 3.89Å; V286-D599 PolarHBondContact N-OD2 2.88Å
287	K	69.4	Low	79.2	Confident	169 Å²	169	54.9 Å²	54.9	74%	0.735	28%	0.283	S	S	*	.			trans	-75.9	100.3	170.2	-68.5	-177.2	-178.1	175.7	0	108.7	N285 F289	N285-K287 PolarHBondContact O-N 3.49Å; K287-F289 PolarHBondContact O-N 3.12Å
288	K	58.7	Low	79.1	Confident	124 Å²	124	55.4 Å²	55.4	54%	0.539	29%	0.285	S	S	.	.			trans	-69.8	123.7	172	-65.9	-162.7	176.6	-162.2	0	109.8	V286 D596	V286-K288 HydrophobicContact CG1-CG 4.41Å; V286-K288 PolarHBondContact O-N 2.87Å; V286-K288 VanDerWaalsContact O-N 3.15Å; K288-D596 WeakPolarHBondContact CE-OD1 3.33Å; K288-D596 IonicContact NZ-OD1 2.97Å; K288-D596 PolarHBondContact NZ-OD1 2.89Å; K288-D596 IonicContact NZ-OD2 3.71Å; K288-D596 PolarHBondContact NZ-OD2 2.93Å
289	F	55.2	Low	79.2	Confident	79 Å²	79	55.6 Å²	55.6	35%	0.346	29%	0.285	S	S	.	.			trans	-68.7	145.9	170.2	-66.5	-78.4	0	0	0	109.8	K287 A291 E294 F295 L298	K287-F289 PolarHBondContact O-N 3.12Å; F289-A291 PolarHBondContact O-N 3Å; F289-E294 HydrophobicContact CB-CB 4.12Å; F289-E294 WeakPolarHBondContact CB-OE2 3.32Å; F289-E294 HydrophobicContact CD1-CB 4.35Å; F289-E294 HydrophobicContact CD1-CG 4.02Å; F289-E294 VanDerWaalsContact CD1-OE2 3.26Å; F289-E294 WeakPolarHBondContact CD1-OE2 3.43Å; F289-E294 HydrophobicContact CE1-CG 4.49Å; F289-E294 HydrophobicContact CG-CB 4.21Å; F289-E294 HydrophobicContact CG-CG 4.38Å; F289-F295 HydrophobicContact CE2-CB 4.5Å; F289-L298 HydrophobicContact CE1-CD1 4.07Å; F289-L298 HydrophobicContact CE2-CD1 4.49Å; F289-L298 HydrophobicContact CZ-CD1 3.78Å
290	S	44.9	Very low	79.2	Confident	130 Å²	130	57.2 Å²	57.2	91%	0.909	30%	0.298	S	S	*	.	S	Bend	trans	-62.9	-21	176.4	-60.6	0	0	0	0	112.3
291	A	51.1	Low	79.3	Confident	30 Å²	30	61.2 Å²	61.2	25%	0.248	32%	0.323	C	S	.	.	S	Bend	trans	-128.2	121.4	176.5	0	0	0	0	0	111.1	F289 H293 E294	F289-A291 PolarHBondContact O-N 3Å; A291-H293 PolarHBondContact O-N 3.32Å; A291-H293 VanDerWaalsContact O-N 3.11Å; A291-E294 VanDerWaalsContact O-CB 3.24Å; A291-E294 WeakPolarHBondContact O-CB 3.31Å; A291-E294 PolarHBondContact O-N 3.5Å
292	M	60.5	Low	79.4	Confident	101 Å²	101	61.1 Å²	61.1	50%	0.498	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-28	-179.6	-70.7	-76.7	-129.9	0	0	113.5	E294 F295	M292-E294 VanDerWaalsContact C-N 3.31Å; M292-E294 PolarHBondContact O-N 2.91Å; M292-F295 WeakPolarHBondContact O-CD1 3.36Å; M292-F295 WeakPolarHBondContact O-CE1 3.46Å
293	H	73.5	Confident	79.6	Confident	123 Å²	123	62.2 Å²	62.2	57%	0.569	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-5.7	-179.9	58.7	-92.9	0	0	0	114.1	A291 F295 Q296 N297	A291-H293 PolarHBondContact O-N 3.32Å; A291-H293 VanDerWaalsContact O-N 3.11Å; H293-F295 PolarHBondContact O-N 3.44Å; H293-Q296 PolarHBondContact O-N 3.44Å; H293-N297 PolarHBondContact O-N 2.99Å
294	E	82	Confident	79.9	Confident	78 Å²	78	65.4 Å²	65.4	36%	0.364	35%	0.346	S	S	.	.	H	α-helix	trans	-64.1	-39.5	-176.9	-170.5	172.9	176.7	0	0	111.9	F289 A291 M292 Q296 N297 L298	F289-E294 HydrophobicContact CB-CB 4.12Å; F289-E294 WeakPolarHBondContact CB-OE2 3.32Å; F289-E294 HydrophobicContact CD1-CB 4.35Å; F289-E294 HydrophobicContact CD1-CG 4.02Å; F289-E294 VanDerWaalsContact CD1-OE2 3.26Å; F289-E294 WeakPolarHBondContact CD1-OE2 3.43Å; F289-E294 HydrophobicContact CE1-CG 4.49Å; F289-E294 HydrophobicContact CG-CB 4.21Å; F289-E294 HydrophobicContact CG-CG 4.38Å; A291-E294 VanDerWaalsContact O-CB 3.24Å; A291-E294 WeakPolarHBondContact O-CB 3.31Å; A291-E294 PolarHBondContact O-N 3.5Å; M292-E294 VanDerWaalsContact C-N 3.31Å; M292-E294 PolarHBondContact O-N 2.91Å; E294-Q296 VanDerWaalsContact C-N 3.26Å; E294-Q296 PolarHBondContact O-N 2.88Å; E294-N297 WeakPolarHBondContact O-CB 3.31Å; E294-N297 PolarHBondContact O-N 2.93Å; E294-N297 VanDerWaalsContact O-N 3.14Å; E294-L298 WeakPolarHBondContact O-CG 3.36Å; E294-L298 PolarHBondContact O-N 3.41Å
295	F	83.6	Confident	80.3	Confident	11 Å²	11	68.7 Å²	68.7	5%	0.048	36%	0.357	C	S	.	.	H	α-helix	trans	-65.1	-29.9	178.5	84	-89.7	0	0	0	112.4	F289 M292 H293 L298 H299 R588 N589 E592	F289-F295 HydrophobicContact CE2-CB 4.5Å; M292-F295 WeakPolarHBondContact O-CD1 3.36Å; M292-F295 WeakPolarHBondContact O-CE1 3.46Å; H293-F295 PolarHBondContact O-N 3.44Å; F295-L298 PolarHBondContact O-N 2.88Å; F295-H299 PolarHBondContact O-N 3.14Å; F295-R588 HydrophobicContact CE2-CB 4.22Å; F295-N589 VanDerWaalsContact CZ-OD1 3.25Å; F295-N589 WeakPolarHBondContact CZ-OD1 3.06Å; F295-E592 HydrophobicContact CD1-CG 4.12Å; F295-E592 HydrophobicContact CE1-CB 4.21Å; F295-E592 HydrophobicContact CE1-CG 4.02Å; F295-E592 HydrophobicContact CE2-CB 4.31Å; F295-E592 HydrophobicContact CG-CG 4.47Å; F295-E592 HydrophobicContact CZ-CB 3.98Å; F295-E592 HydrophobicContact CZ-CG 4.24Å
296	Q	86.6	Confident	81	Confident	27 Å²	27	65.9 Å²	65.9	13%	0.126	34%	0.342	C	S	.	.	H	α-helix	trans	-69.7	-38.3	174.6	-69.1	-68.4	-2.7	0	0	112	H293 E294 L298 H299 S300 I585 R588 N589	H293-Q296 PolarHBondContact O-N 3.44Å; E294-Q296 VanDerWaalsContact C-N 3.26Å; E294-Q296 PolarHBondContact O-N 2.88Å; Q296-L298 VanDerWaalsContact C-N 3.34Å; Q296-H299 WeakPolarHBondContact O-CB 3.28Å; Q296-H299 PolarHBondContact O-N 3.41Å; Q296-S300 PolarHBondContact O-N 2.64Å; Q296-S300 VanDerWaalsContact O-N 3.09Å; Q296-I585 PolarHBondContact NE2-O 2.72Å; Q296-R588 VanDerWaalsContact OE1-CZ 3.29Å; Q296-N589 PolarHBondContact NE2-OD1 3.32Å
297	N	90.8	Very high	81.9	Confident	95 Å²	95	65.8 Å²	65.8	51%	0.508	34%	0.34	S	S	.	.	H	α-helix	trans	-65.2	-41	173.4	-70.4	-20.8	0	0	0	111.2	H293 E294 S300 T301	H293-N297 PolarHBondContact O-N 2.99Å; E294-N297 WeakPolarHBondContact O-CB 3.31Å; E294-N297 PolarHBondContact O-N 2.93Å; E294-N297 VanDerWaalsContact O-N 3.14Å; N297-S300 PolarHBondContact O-N 2.96Å; N297-T301 WeakPolarHBondContact O-CB 3.27Å; N297-T301 PolarHBondContact O-N 3.33Å; N297-T301 PolarHBondContact O-OG1 2.95Å
298	L	92.6	Very high	83.2	Confident	47 Å²	47	59.6 Å²	59.6	25%	0.246	31%	0.314	C	S	.	.	H	α-helix	trans	-63.3	-41	174.4	-69	174.7	0	0	0	111.7	F289 E294 F295 Q296 S300 T301 N302	F289-L298 HydrophobicContact CE1-CD1 4.07Å; F289-L298 HydrophobicContact CE2-CD1 4.49Å; F289-L298 HydrophobicContact CZ-CD1 3.78Å; E294-L298 WeakPolarHBondContact O-CG 3.36Å; E294-L298 PolarHBondContact O-N 3.41Å; F295-L298 PolarHBondContact O-N 2.88Å; Q296-L298 VanDerWaalsContact C-N 3.34Å; L298-S300 PolarHBondContact O-N 3.2Å; L298-T301 PolarHBondContact O-N 3.11Å; L298-N302 VanDerWaalsContact O-CB 3.32Å; L298-N302 WeakPolarHBondContact O-CB 3.35Å; L298-N302 PolarHBondContact O-N 2.86Å
299	H	95	Very high	85	Confident	12 Å²	12	54 Å²	54	6%	0.056	29%	0.29	C	S	.	.	H	α-helix	trans	-55.8	-51.2	173.1	172.8	70.2	0	0	0	111.2	F295 Q296 T301 N302 K303 R500 C502	F295-H299 PolarHBondContact O-N 3.14Å; Q296-H299 WeakPolarHBondContact O-CB 3.28Å; Q296-H299 PolarHBondContact O-N 3.41Å; H299-T301 PolarHBondContact O-N 3.41Å; H299-N302 PolarHBondContact O-N 3.01Å; H299-K303 WeakPolarHBondContact O-CB 3.42Å; H299-K303 PolarHBondContact O-N 2.97Å; H299-R500 WeakPolarHBondContact CA-O 3.48Å; H299-R500 PolarHBondContact ND1-O 3.2Å; H299-C502 PolarHBondContact CE1-O 3.21Å; H299-C502 PolarHBondContact ND1-O 2.92Å
300	S	95.2	Very high	87	Confident	70 Å²	70	50.2 Å²	50.2	49%	0.49	27%	0.273	S	S	.	.	H	α-helix	trans	-60.9	-45	-179.9	-171	0	0	0	0	112.6	Q296 N297 L298 T304	Q296-S300 PolarHBondContact O-N 2.64Å; Q296-S300 VanDerWaalsContact O-N 3.09Å; N297-S300 PolarHBondContact O-N 2.96Å; L298-S300 PolarHBondContact O-N 3.2Å; S300-T304 PolarHBondContact O-N 3.47Å; S300-T304 PolarHBondContact O-OG1 3.17Å
301	T	96.1	Very high	89.5	Confident	83 Å²	83	48 Å²	48	51%	0.509	25%	0.245	S	C	.	.	H	α-helix	trans	-63.2	-49.4	179.9	-57	0	0	0	0	111.3	N297 L298 H299 T304 R305	N297-T301 WeakPolarHBondContact O-CB 3.27Å; N297-T301 PolarHBondContact O-N 3.33Å; N297-T301 PolarHBondContact O-OG1 2.95Å; L298-T301 PolarHBondContact O-N 3.11Å; H299-T301 PolarHBondContact O-N 3.41Å; T301-T304 WeakPolarHBondContact O-CB 3.21Å; T301-T304 PolarHBondContact O-N 3.45Å; T301-R305 PolarHBondContact O-N 3.49Å
302	N	97.4	Very high	91.6	Very high	4 Å²	4	46.5 Å²	46.5	2%	0.021	23%	0.233	C	C	.	.	H	α-helix	trans	-72.6	-34.2	-179.2	-76.8	-30	0	0	0	112.5	L298 H299 T304 R305 I306 M493 D497	L298-N302 VanDerWaalsContact O-CB 3.32Å; L298-N302 WeakPolarHBondContact O-CB 3.35Å; L298-N302 PolarHBondContact O-N 2.86Å; H299-N302 PolarHBondContact O-N 3.01Å; N302-T304 PolarHBondContact O-N 3.04Å; N302-R305 WeakPolarHBondContact O-CB 3.45Å; N302-R305 PolarHBondContact O-N 3.23Å; N302-R305 VanDerWaalsContact O-N 3.13Å; N302-R305 PolarHBondContact OD1-NH1 2.95Å; N302-I306 WeakPolarHBondContact O-CG1 3.39Å; N302-I306 PolarHBondContact O-N 3.29Å; N302-M493 HydrophobicContact CB-CE 3.78Å; N302-D497 WeakPolarHBondContact CB-O 3.36Å; N302-D497 WeakPolarHBondContact ND2-CA 3.42Å; N302-D497 PolarHBondContact ND2-O 2.89Å; N302-D497 PolarHBondContact ND2-OD1 3.19Å
303	K	97.6	Very high	93.3	Very high	27 Å²	27	41.8 Å²	41.8	12%	0.117	21%	0.21	C	C	.	.	H	α-helix	trans	-58.4	-40.2	171.2	-175.1	178.3	-178.1	178.6	0	111	H299 R305 I306 Q307 T325 F327	H299-K303 WeakPolarHBondContact O-CB 3.42Å; H299-K303 PolarHBondContact O-N 2.97Å; K303-R305 VanDerWaalsContact C-N 3.35Å; K303-R305 PolarHBondContact O-N 3.11Å; K303-I306 PolarHBondContact O-N 3.01Å; K303-Q307 WeakPolarHBondContact O-CG 3.41Å; K303-Q307 PolarHBondContact O-N 3.41Å; K303-T325 PolarHBondContact NZ-O 3.03Å; K303-F327 HydrophobicContact CG-CD2 4.04Å; K303-F327 HydrophobicContact CG-CE2 3.81Å
304	T	97	Very high	94.4	Very high	67 Å²	67	36 Å²	36	41%	0.411	18%	0.183	S	C	.	.	H	α-helix	trans	-62.7	-40.6	176.5	-57	0	0	0	0	111.6	S300 T301 N302 I306 Q307 E308	S300-T304 PolarHBondContact O-N 3.47Å; S300-T304 PolarHBondContact O-OG1 3.17Å; T301-T304 WeakPolarHBondContact O-CB 3.21Å; T301-T304 PolarHBondContact O-N 3.45Å; N302-T304 PolarHBondContact O-N 3.04Å; T304-I306 PolarHBondContact O-N 3.15Å; T304-Q307 WeakPolarHBondContact O-CB 3.29Å; T304-Q307 PolarHBondContact O-N 3.28Å; T304-E308 PolarHBondContact O-N 3.45Å
305	R	96.8	Very high	94.9	Very high	88 Å²	88	32.8 Å²	32.8	33%	0.332	17%	0.168	S	C	.	.	H	α-helix	trans	-62.6	-41.4	174.9	-66.8	167.2	71.7	-172.8	7.6	112	T301 N302 K303 E308 F309 P492 M493 D497	T301-R305 PolarHBondContact O-N 3.49Å; N302-R305 WeakPolarHBondContact O-CB 3.45Å; N302-R305 PolarHBondContact O-N 3.23Å; N302-R305 VanDerWaalsContact O-N 3.13Å; N302-R305 PolarHBondContact OD1-NH1 2.95Å; K303-R305 VanDerWaalsContact C-N 3.35Å; K303-R305 PolarHBondContact O-N 3.11Å; R305-E308 WeakPolarHBondContact O-CB 3.38Å; R305-E308 PolarHBondContact O-N 3.07Å; R305-F309 PolarHBondContact O-N 3.17Å; R305-F309 VanDerWaalsContact O-N 3.16Å; R305-P492 PolarHBondContact NH2-O 3.04Å; R305-M493 HydrophobicContact CB-CE 3.96Å; R305-M493 HydrophobicContact CB-CG 4.39Å; R305-M493 HydrophobicContact CB-SD 3.49Å; R305-M493 WeakPolarHBondContact CB-SD 3.37Å; R305-D497 IonicContact CZ-OD2 3.53Å; R305-D497 IonicContact NH1-OD2 3.11Å; R305-D497 PolarHBondContact NH1-OD2 3.37Å; R305-D497 IonicContact NH2-OD2 3.5Å
306	I	98.3	Very high	95.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-64.6	-42.5	174.3	-62.9	172.4	0	0	0	110.7	N302 K303 T304 E308 F309 V310 F327 F367 M493 F498	N302-I306 WeakPolarHBondContact O-CG1 3.39Å; N302-I306 PolarHBondContact O-N 3.29Å; K303-I306 PolarHBondContact O-N 3.01Å; T304-I306 PolarHBondContact O-N 3.15Å; I306-E308 VanDerWaalsContact C-N 3.29Å; I306-E308 PolarHBondContact O-N 2.99Å; I306-F309 WeakPolarHBondContact O-CB 3.44Å; I306-F309 PolarHBondContact O-N 2.96Å; I306-F309 VanDerWaalsContact O-N 3.16Å; I306-V310 HydrophobicContact CG2-CG2 4.4Å; I306-V310 WeakPolarHBondContact O-CG2 3.26Å; I306-V310 PolarHBondContact O-N 3.35Å; I306-F327 HydrophobicContact CB-CD2 4.42Å; I306-F327 HydrophobicContact CB-CE2 4.24Å; I306-F327 HydrophobicContact CG2-CD1 3.93Å; I306-F327 HydrophobicContact CG2-CD2 3.9Å; I306-F327 HydrophobicContact CG2-CE1 3.91Å; I306-F327 HydrophobicContact CG2-CE2 3.83Å; I306-F327 HydrophobicContact CG2-CG 3.96Å; I306-F327 HydrophobicContact CG2-CZ 3.85Å; I306-F367 HydrophobicContact CG2-CE2 3.94Å; I306-F367 HydrophobicContact CG2-CZ 3.8Å; I306-M493 HydrophobicContact CG1-CE 4.35Å; I306-M493 HydrophobicContact CG1-SD 3.93Å; I306-F498 HydrophobicContact CD1-CD2 3.85Å; I306-F498 HydrophobicContact CD1-CE2 4.09Å; I306-F498 HydrophobicContact CG1-CD2 4.16Å; I306-F498 HydrophobicContact CG1-CE2 4.49Å
307	Q	97.8	Very high	95.6	Very high	16 Å²	16	33.3 Å²	33.3	8%	0.075	18%	0.179	C	C	.	.	H	α-helix	trans	-59.8	-38.8	175.7	-74.4	176.9	-19.2	0	0	112	K303 T304 V310 R311 L322 F327	K303-Q307 WeakPolarHBondContact O-CG 3.41Å; K303-Q307 PolarHBondContact O-N 3.41Å; T304-Q307 WeakPolarHBondContact O-CB 3.29Å; T304-Q307 PolarHBondContact O-N 3.28Å; Q307-V310 PolarHBondContact O-N 3.12Å; Q307-R311 WeakPolarHBondContact O-CG 2.74Å; Q307-R311 PolarHBondContact O-N 3.42Å; Q307-L322 HydrophobicContact CB-CD1 4.32Å; Q307-L322 HydrophobicContact CG-CB 4.27Å; Q307-L322 PolarHBondContact NE2-O 3.42Å; Q307-F327 HydrophobicContact CG-CE2 3.85Å; Q307-F327 HydrophobicContact CG-CZ 3.8Å
308	E	95.9	Very high	95.6	Very high	40 Å²	40	32.3 Å²	32.3	19%	0.187	17%	0.173	C	C	.	.	H	α-helix	trans	-61.4	-44.8	173.6	-74.9	-53.8	118.6	0	0	112.2	T304 R305 I306 V310 R311 G312 R388	T304-E308 PolarHBondContact O-N 3.45Å; R305-E308 WeakPolarHBondContact O-CB 3.38Å; R305-E308 PolarHBondContact O-N 3.07Å; I306-E308 VanDerWaalsContact C-N 3.29Å; I306-E308 PolarHBondContact O-N 2.99Å; E308-V310 VanDerWaalsContact C-N 3.32Å; E308-V310 PolarHBondContact O-N 2.87Å; E308-R311 PolarHBondContact O-N 3.38Å; E308-R311 WeakPolarHBondContact OE1-CD 3.47Å; E308-R311 IonicContact OE1-CZ 3.18Å; E308-R311 IonicContact OE1-NE 2.68Å; E308-R311 IonicContact OE1-NH1 3.27Å; E308-R311 PolarHBondContact OE1-NH1 3.29Å; E308-G312 PolarHBondContact O-N 3.4Å; E308-R388 WeakPolarHBondContact O-CD 3.43Å; E308-R388 IonicContact OE2-CZ 2.69Å; E308-R388 IonicContact OE2-NH1 3.78Å; E308-R388 PolarHBondContact OE2-NH1 3.16Å
309	F	97.2	Very high	95.5	Very high	5 Å²	5	33.5 Å²	33.5	2%	0.022	18%	0.18	C	C	.	.	H	α-helix	trans	-57.5	-46.9	172.7	166.9	-98.9	0	0	0	111.4	R305 I306 R311 G312 H313 F367 Q385 T447 I478 L490 L491	R305-F309 PolarHBondContact O-N 3.17Å; R305-F309 VanDerWaalsContact O-N 3.16Å; I306-F309 WeakPolarHBondContact O-CB 3.44Å; I306-F309 PolarHBondContact O-N 2.96Å; I306-F309 VanDerWaalsContact O-N 3.16Å; F309-R311 PolarHBondContact O-N 2.95Å; F309-G312 PolarHBondContact O-N 2.99Å; F309-G312 VanDerWaalsContact O-N 3.11Å; F309-H313 HydrophobicContact CE1-CB 4.23Å; F309-H313 HydrophobicContact CZ-CB 4.12Å; F309-H313 AromaticContact CZ-ND1 3.73Å; F309-H313 WeakPolarHBondContact O-CB 3.25Å; F309-H313 PolarHBondContact O-N 3.09Å; F309-F367 AromaticContact CD1-CE1 3.93Å; F309-F367 HydrophobicContact CD1-CE1 3.93Å; F309-F367 HydrophobicContact CD1-CZ 4.08Å; F309-F367 AromaticContact CE1-CE1 3.6Å; F309-F367 HydrophobicContact CE1-CE1 3.6Å; F309-F367 HydrophobicContact CE1-CZ 4.1Å; F309-Q385 PolarHBondContact O-NE2 3.12Å; F309-T447 HydrophobicContact CZ-CG2 4.12Å; F309-I478 HydrophobicContact CE1-CD1 3.68Å; F309-I478 HydrophobicContact CE1-CG2 4.17Å; F309-I478 HydrophobicContact CZ-CD1 4.48Å; F309-I478 HydrophobicContact CZ-CG2 4.18Å; F309-L490 WeakPolarHBondContact CD2-O 3.3Å; F309-L490 HydrophobicContact CE2-CB 4.24Å; F309-L491 HydrophobicContact CB-CD1 3.76Å; F309-L491 HydrophobicContact CD2-CB 4.13Å; F309-L491 HydrophobicContact CG-CB 4.44Å; F309-L491 HydrophobicContact CG-CD1 4.04Å
310	V	98	Very high	95.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62.3	-40.3	179.6	172.9	0	0	0	0	111.9	I306 Q307 E308 G312 H313 F314 F320 L322 F327 V365 F367	I306-V310 HydrophobicContact CG2-CG2 4.4Å; I306-V310 WeakPolarHBondContact O-CG2 3.26Å; I306-V310 PolarHBondContact O-N 3.35Å; Q307-V310 PolarHBondContact O-N 3.12Å; E308-V310 VanDerWaalsContact C-N 3.32Å; E308-V310 PolarHBondContact O-N 2.87Å; V310-G312 VanDerWaalsContact C-N 3.26Å; V310-G312 PolarHBondContact O-N 3.07Å; V310-H313 PolarHBondContact O-N 3.08Å; V310-F314 HydrophobicContact CG1-CD2 3.77Å; V310-F314 HydrophobicContact CG1-CE2 4.26Å; V310-F314 WeakPolarHBondContact O-CB 3.07Å; V310-F314 WeakPolarHBondContact O-CD2 2.93Å; V310-F314 PolarHBondContact O-N 2.94Å; V310-F320 HydrophobicContact CG1-CE2 4.22Å; V310-F320 HydrophobicContact CG1-CZ 4.05Å; V310-L322 HydrophobicContact CB-CD2 4.41Å; V310-L322 HydrophobicContact CG1-CD2 3.77Å; V310-F327 HydrophobicContact CG2-CE1 3.84Å; V310-F327 HydrophobicContact CG2-CZ 4.3Å; V310-V365 HydrophobicContact CG2-CG1 4.35Å; V310-F367 HydrophobicContact CG2-CZ 4.3Å
311	R	96	Very high	95.5	Very high	83 Å²	83	34.3 Å²	34.3	31%	0.313	18%	0.178	S	C	.	.	H	α-helix	trans	-56.5	-42.2	173.6	-73.3	178.3	179.8	96.4	7.1	111.6	Q307 E308 F309 Y315 L318 L322 R388	Q307-R311 WeakPolarHBondContact O-CG 2.74Å; Q307-R311 PolarHBondContact O-N 3.42Å; E308-R311 PolarHBondContact O-N 3.38Å; E308-R311 WeakPolarHBondContact OE1-CD 3.47Å; E308-R311 IonicContact OE1-CZ 3.18Å; E308-R311 IonicContact OE1-NE 2.68Å; E308-R311 IonicContact OE1-NH1 3.27Å; E308-R311 PolarHBondContact OE1-NH1 3.29Å; F309-R311 PolarHBondContact O-N 2.95Å; R311-Y315 PolarHBondContact O-N 3.29Å; R311-L318 HydrophobicContact CG-CD2 3.98Å; R311-L322 HydrophobicContact CG-CD1 3.56Å; R311-L322 VanDerWaalsContact CZ-CD1 3.46Å; R311-R388 HydrophobicContact CB-CG 4.37Å
312	G	95.5	Very high	95.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-72.9	-39.7	176.8	0	0	0	0	0	113.3	E308 F309 V310 Y315 G384	E308-G312 PolarHBondContact O-N 3.4Å; F309-G312 PolarHBondContact O-N 2.99Å; F309-G312 VanDerWaalsContact O-N 3.11Å; V310-G312 VanDerWaalsContact C-N 3.26Å; V310-G312 PolarHBondContact O-N 3.07Å; G312-Y315 VanDerWaalsContact O-CD1 3.24Å; G312-Y315 WeakPolarHBondContact O-CD1 3.38Å; G312-Y315 PolarHBondContact O-N 2.85Å; G312-G384 CarbonylContact O-C 3.5Å; G312-G384 VanDerWaalsContact O-CA 3.23Å; G312-G384 WeakPolarHBondContact O-CA 3.37Å
313	H	97.1	Very high	95.3	Very high	2 Å²	2	35 Å²	35	1%	0.009	18%	0.179	C	C	.	.	H	α-helix	trans	-69.8	-36	-178.8	-162.4	79.7	0	0	0	112.6	F309 V310 P444	F309-H313 HydrophobicContact CE1-CB 4.23Å; F309-H313 HydrophobicContact CZ-CB 4.12Å; F309-H313 AromaticContact CZ-ND1 3.73Å; F309-H313 WeakPolarHBondContact O-CB 3.25Å; F309-H313 PolarHBondContact O-N 3.09Å; V310-H313 PolarHBondContact O-N 3.08Å; H313-P444 PolarHBondContact NE2-O 3.21Å
314	F	96.4	Very high	95.2	Very high	1 Å²	1	40.2 Å²	40.2	0%	0.004	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	24.3	179.4	-69.2	-99.4	0	0	0	112.9	V310 G316 H317 L318 F320 P443 N469 K476 I478	V310-F314 HydrophobicContact CG1-CD2 3.77Å; V310-F314 HydrophobicContact CG1-CE2 4.26Å; V310-F314 WeakPolarHBondContact O-CB 3.07Å; V310-F314 WeakPolarHBondContact O-CD2 2.93Å; V310-F314 PolarHBondContact O-N 2.94Å; F314-G316 PolarHBondContact O-N 3.35Å; F314-H317 CarbonylContact O-C 3.48Å; F314-H317 VanDerWaalsContact O-C 3.25Å; F314-H317 WeakPolarHBondContact O-CA 3.48Å; F314-H317 PolarHBondContact O-N 2.71Å; F314-L318 HydrophobicContact CB-CD1 4.42Å; F314-L318 PolarHBondContact O-N 3.28Å; F314-F320 HydrophobicContact CB-CE1 4.49Å; F314-F320 HydrophobicContact CB-CZ 4.49Å; F314-F320 AromaticContact CD1-CE1 3.91Å; F314-F320 HydrophobicContact CD1-CE1 3.91Å; F314-F320 HydrophobicContact CD1-CZ 4.15Å; F314-F320 HydrophobicContact CD2-CZ 4.45Å; F314-F320 HydrophobicContact CE1-CE1 4.46Å; F314-F320 HydrophobicContact CG-CE1 4.21Å; F314-F320 HydrophobicContact CG-CZ 4.11Å; F314-P443 HydrophobicContact CD1-CB 3.71Å; F314-P443 HydrophobicContact CD1-CG 3.51Å; F314-P443 HydrophobicContact CE1-CB 3.75Å; F314-P443 HydrophobicContact CE1-CG 3.91Å; F314-P443 HydrophobicContact CG-CB 4.23Å; F314-P443 HydrophobicContact CG-CG 4.2Å; F314-P443 HydrophobicContact CZ-CB 4.31Å; F314-N469 HydrophobicContact CE1-CB 4.07Å; F314-K476 HydrophobicContact CE1-CB 3.99Å; F314-K476 HydrophobicContact CE1-CD 4.07Å; F314-K476 HydrophobicContact CE1-CG 3.89Å; F314-K476 HydrophobicContact CZ-CB 3.66Å; F314-K476 HydrophobicContact CZ-CG 4.01Å; F314-I478 HydrophobicContact CE2-CD1 3.86Å; F314-I478 HydrophobicContact CE2-CG1 4.32Å
315	Y	92.8	Very high	95.2	Very high	11 Å²	11	37 Å²	37	4%	0.043	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	135.6	176.9	80.8	-81.9	0	0	0	111.4	R311 G312 H317 E380 G384 V387 R439	R311-Y315 PolarHBondContact O-N 3.29Å; G312-Y315 VanDerWaalsContact O-CD1 3.24Å; G312-Y315 WeakPolarHBondContact O-CD1 3.38Å; G312-Y315 PolarHBondContact O-N 2.85Å; Y315-H317 PolarHBondContact O-N 2.91Å; Y315-H317 VanDerWaalsContact O-N 3.15Å; Y315-E380 PolarHBondContact OH-OE2 3.33Å; Y315-G384 VanDerWaalsContact CD1-CA 3.43Å; Y315-V387 HydrophobicContact CD2-CG1 4.33Å; Y315-R439 HydrophobicContact CD2-CB 4.36Å; Y315-R439 HydrophobicContact CE2-CB 3.8Å; Y315-R439 HydrophobicContact CE2-CG 4.08Å
316	G	91.3	Very high	95.3	Very high	34 Å²	34	33 Å²	33	35%	0.351	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	-7.1	-173.8	0	0	0	0	0	115.6	F314 T437 R471	F314-G316 PolarHBondContact O-N 3.35Å; G316-T437 WeakPolarHBondContact CA-O 3.32Å; G316-R471 PolarHBondContact O-NH2 3.37Å
317	H	93.3	Very high	95.3	Very high	15 Å²	15	33 Å²	33	7%	0.069	16%	0.163	C	C	.	.			trans	-131.5	14.4	-177.5	-72.9	-99.2	0	0	0	113	F314 Y315 D319 S441 P443	F314-H317 CarbonylContact O-C 3.48Å; F314-H317 VanDerWaalsContact O-C 3.25Å; F314-H317 WeakPolarHBondContact O-CA 3.48Å; F314-H317 PolarHBondContact O-N 2.71Å; Y315-H317 PolarHBondContact O-N 2.91Å; Y315-H317 VanDerWaalsContact O-N 3.15Å; H317-D319 PolarHBondContact O-N 2.67Å; H317-S441 PolarHBondContact NE2-O 3.23Å; H317-P443 HydrophobicContact CB-CG 3.63Å
318	L	90.4	Very high	95.4	Very high	73 Å²	73	32.2 Å²	32.2	38%	0.382	16%	0.16	S	C	.	.			trans	-79.6	72.7	176.3	-168.4	70.9	0	0	0	109.8	R311 F314 F320 L322	R311-L318 HydrophobicContact CG-CD2 3.98Å; F314-L318 HydrophobicContact CB-CD1 4.42Å; F314-L318 PolarHBondContact O-N 3.28Å; L318-F320 HydrophobicContact CD1-CD2 4.43Å; L318-F320 HydrophobicContact CD1-CE1 4.05Å; L318-F320 HydrophobicContact CD1-CE2 3.94Å; L318-F320 HydrophobicContact CD1-CZ 3.73Å; L318-L322 HydrophobicContact CD1-CD1 4.3Å; L318-L322 HydrophobicContact CD1-CD2 4.16Å; L318-L322 HydrophobicContact CD1-CG 4.22Å; L318-L322 HydrophobicContact CD2-CD1 4.26Å
319	D	91.1	Very high	95.5	Very high	72 Å²	72	30.3 Å²	30.3	39%	0.385	15%	0.151	S	C	.	.			trans	-99.4	16.9	179.8	61.9	-6.4	0	0	0	113.3	H317 R471	H317-D319 PolarHBondContact O-N 2.67Å; D319-R471 WeakPolarHBondContact OD2-CB 3.44Å; D319-R471 WeakPolarHBondContact OD2-CD 3.48Å; D319-R471 WeakPolarHBondContact OD2-CG 3.46Å
320	F	95	Very high	95.6	Very high	19 Å²	19	30.1 Å²	30.1	8%	0.083	15%	0.15	C	C	.	.	S	Bend	trans	-131.3	153.3	-179.9	57.4	-88.7	0	0	0	111.9	V310 F314 L318 L322 T325 T363 V365	V310-F320 HydrophobicContact CG1-CE2 4.22Å; V310-F320 HydrophobicContact CG1-CZ 4.05Å; F314-F320 HydrophobicContact CB-CE1 4.49Å; F314-F320 HydrophobicContact CB-CZ 4.49Å; F314-F320 AromaticContact CD1-CE1 3.91Å; F314-F320 HydrophobicContact CD1-CE1 3.91Å; F314-F320 HydrophobicContact CD1-CZ 4.15Å; F314-F320 HydrophobicContact CD2-CZ 4.45Å; F314-F320 HydrophobicContact CE1-CE1 4.46Å; F314-F320 HydrophobicContact CG-CE1 4.21Å; F314-F320 HydrophobicContact CG-CZ 4.11Å; L318-F320 HydrophobicContact CD1-CD2 4.43Å; L318-F320 HydrophobicContact CD1-CE1 4.05Å; L318-F320 HydrophobicContact CD1-CE2 3.94Å; L318-F320 HydrophobicContact CD1-CZ 3.73Å; F320-L322 HydrophobicContact CD2-CD2 4.34Å; F320-L322 HydrophobicContact CE2-CD2 3.77Å; F320-T325 WeakPolarHBondContact CD2-OG1 3.24Å; F320-T325 HydrophobicContact CE2-CG2 4.48Å; F320-T363 HydrophobicContact CB-CG2 4.35Å; F320-T363 WeakPolarHBondContact CB-OG1 3.4Å; F320-T363 HydrophobicContact CD1-CG2 4.45Å; F320-T363 HydrophobicContact CD2-CG2 3.78Å; F320-T363 HydrophobicContact CE2-CG2 4.12Å; F320-T363 HydrophobicContact CG-CG2 3.95Å; F320-V365 HydrophobicContact CE2-CG2 4.39Å
321	N	94.6	Very high	95.5	Very high	81 Å²	81	30.3 Å²	30.3	43%	0.433	15%	0.152	S	C	.	.			trans	-84	118.6	-178	-176	-8.4	0	0	0	111.4	D323 R324 T325	N321-D323 VanDerWaalsContact C-N 3.27Å; N321-D323 PolarHBondContact O-N 3.38Å; N321-D323 WeakPolarHBondContact OD1-CB 3.33Å; N321-D323 PolarHBondContact OD1-N 2.91Å; N321-R324 HydrophobicContact CB-CB 4.4Å; N321-R324 CarbonylContact O-C 3.49Å; N321-R324 VanDerWaalsContact O-C 3.24Å; N321-R324 WeakPolarHBondContact O-CA 3.46Å; N321-R324 PolarHBondContact O-N 3.11Å; N321-R324 VanDerWaalsContact O-N 3.08Å; N321-T325 PolarHBondContact O-N 2.85Å; N321-T325 VanDerWaalsContact O-N 3.15Å; N321-T325 PolarHBondContact O-OG1 2.99Å
322	L	95.7	Very high	95.4	Very high	9 Å²	9	27.3 Å²	27.3	5%	0.047	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-66.8	-22.8	179	-67.9	173.1	0	0	0	114.1	Q307 V310 R311 L318 F320 R324 T325	Q307-L322 HydrophobicContact CB-CD1 4.32Å; Q307-L322 HydrophobicContact CG-CB 4.27Å; Q307-L322 PolarHBondContact NE2-O 3.42Å; V310-L322 HydrophobicContact CB-CD2 4.41Å; V310-L322 HydrophobicContact CG1-CD2 3.77Å; R311-L322 HydrophobicContact CG-CD1 3.56Å; R311-L322 VanDerWaalsContact CZ-CD1 3.46Å; L318-L322 HydrophobicContact CD1-CD1 4.3Å; L318-L322 HydrophobicContact CD1-CD2 4.16Å; L318-L322 HydrophobicContact CD1-CG 4.22Å; L318-L322 HydrophobicContact CD2-CD1 4.26Å; F320-L322 HydrophobicContact CD2-CD2 4.34Å; F320-L322 HydrophobicContact CE2-CD2 3.77Å; L322-R324 VanDerWaalsContact C-N 3.29Å; L322-T325 PolarHBondContact O-N 3.22Å
323	D	93.4	Very high	95.2	Very high	93 Å²	93	33.4 Å²	33.4	50%	0.497	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-72.1	-27.1	172.5	-71.4	-36.8	0	0	0	112.5	N321	N321-D323 VanDerWaalsContact C-N 3.27Å; N321-D323 PolarHBondContact O-N 3.38Å; N321-D323 WeakPolarHBondContact OD1-CB 3.33Å; N321-D323 PolarHBondContact OD1-N 2.91Å
324	R	95.1	Very high	95.1	Very high	136 Å²	136	36 Å²	36	51%	0.513	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-103.2	24.7	172.5	-61.7	-170.1	178	-149.4	0.1	111.6	N321 L322 D361 L362 T363	N321-R324 HydrophobicContact CB-CB 4.4Å; N321-R324 CarbonylContact O-C 3.49Å; N321-R324 VanDerWaalsContact O-C 3.24Å; N321-R324 WeakPolarHBondContact O-CA 3.46Å; N321-R324 PolarHBondContact O-N 3.11Å; N321-R324 VanDerWaalsContact O-N 3.08Å; L322-R324 VanDerWaalsContact C-N 3.29Å; R324-D361 WeakPolarHBondContact CD-OD2 3.32Å; R324-D361 IonicContact CZ-OD2 3.78Å; R324-D361 VanDerWaalsContact CZ-OD2 3.23Å; R324-D361 IonicContact NE-OD2 3.85Å; R324-D361 PolarHBondContact NE-OD2 2.96Å; R324-D361 IonicContact NH1-OD1 3.7Å; R324-D361 PolarHBondContact NH1-OD1 3.45Å; R324-D361 IonicContact NH1-OD2 2.78Å; R324-D361 PolarHBondContact NH1-OD2 3.33Å; R324-L362 WeakPolarHBondContact O-CA 3.5Å; R324-T363 PolarHBondContact O-N 2.72Å; R324-T363 VanDerWaalsContact O-N 3.07Å
325	T	98	Very high	94.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	134	170.9	-60.2	0	0	0	0	111.1	K303 F320 N321 L322 F327 T363 V365	K303-T325 PolarHBondContact NZ-O 3.03Å; F320-T325 WeakPolarHBondContact CD2-OG1 3.24Å; F320-T325 HydrophobicContact CE2-CG2 4.48Å; N321-T325 PolarHBondContact O-N 2.85Å; N321-T325 VanDerWaalsContact O-N 3.15Å; N321-T325 PolarHBondContact O-OG1 2.99Å; L322-T325 PolarHBondContact O-N 3.22Å; T325-F327 HydrophobicContact CG2-CD1 4.33Å; T325-F327 HydrophobicContact CG2-CE1 3.75Å; T325-F327 HydrophobicContact CG2-CZ 4.14Å; T325-T363 CarbonylContact C-O 3.52Å; T325-T363 VanDerWaalsContact CA-O 3.22Å; T325-T363 WeakPolarHBondContact CA-O 3.37Å; T325-V365 HydrophobicContact CG2-CB 4.31Å; T325-V365 HydrophobicContact CG2-CG2 3.7Å
326	L	98.5	Very high	95	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.01	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	140.3	171.2	-59.7	-177.1	0	0	0	110.4	F328 L362 T363 V364 V365 N503 F576	L326-F328 HydrophobicContact CB-CD1 4.43Å; L326-F328 HydrophobicContact CB-CE1 3.92Å; L326-F328 HydrophobicContact CD1-CE1 4.2Å; L326-F328 HydrophobicContact CD1-CZ 4.41Å; L326-L362 HydrophobicContact CD1-CD1 3.85Å; L326-L362 HydrophobicContact CD1-CD2 4.15Å; L326-L362 HydrophobicContact CD1-CG 4.49Å; L326-L362 HydrophobicContact CG-CD1 4.04Å; L326-L362 HydrophobicContact CG-CD2 4.29Å; L326-L362 HydrophobicContact CG-CG 4.41Å; L326-T363 PolarHBondContact N-O 2.81Å; L326-V364 WeakPolarHBondContact O-CA 3.36Å; L326-V365 PolarHBondContact O-N 2.79Å; L326-N503 WeakPolarHBondContact CA-OD1 3.21Å; L326-N503 HydrophobicContact CB-CB 4.43Å; L326-N503 HydrophobicContact CD2-CB 4.31Å; L326-F576 HydrophobicContact CD1-CD1 3.98Å; L326-F576 HydrophobicContact CD1-CE1 4Å
327	F	98.8	Very high	95	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	112.7	177.1	-61.5	-54.7	0	0	0	110.4	K303 I306 Q307 V310 T325 V365 F367 C502 N503 L504	K303-F327 HydrophobicContact CG-CD2 4.04Å; K303-F327 HydrophobicContact CG-CE2 3.81Å; I306-F327 HydrophobicContact CB-CD2 4.42Å; I306-F327 HydrophobicContact CB-CE2 4.24Å; I306-F327 HydrophobicContact CG2-CD1 3.93Å; I306-F327 HydrophobicContact CG2-CD2 3.9Å; I306-F327 HydrophobicContact CG2-CE1 3.91Å; I306-F327 HydrophobicContact CG2-CE2 3.83Å; I306-F327 HydrophobicContact CG2-CG 3.96Å; I306-F327 HydrophobicContact CG2-CZ 3.85Å; Q307-F327 HydrophobicContact CG-CE2 3.85Å; Q307-F327 HydrophobicContact CG-CZ 3.8Å; V310-F327 HydrophobicContact CG2-CE1 3.84Å; V310-F327 HydrophobicContact CG2-CZ 4.3Å; T325-F327 HydrophobicContact CG2-CD1 4.33Å; T325-F327 HydrophobicContact CG2-CE1 3.75Å; T325-F327 HydrophobicContact CG2-CZ 4.14Å; F327-V365 WeakPolarHBondContact CA-O 3.32Å; F327-V365 HydrophobicContact CD1-CB 3.84Å; F327-V365 HydrophobicContact CD1-CG1 4.32Å; F327-V365 HydrophobicContact CE1-CB 3.96Å; F327-V365 HydrophobicContact CE1-CG1 4.42Å; F327-V365 HydrophobicContact CE1-CG2 4.28Å; F327-F367 AromaticContact CD1-CE2 3.89Å; F327-F367 HydrophobicContact CD1-CE2 3.89Å; F327-F367 HydrophobicContact CG-CE2 4.49Å; F327-C502 HydrophobicContact CB-CB 4.37Å; F327-N503 PolarHBondContact N-OD1 2.87Å; F327-N503 PolarHBondContact O-N 3.44Å; F327-L504 PolarHBondContact O-N 3.03Å
328	F	98.9	Very high	95.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	153.5	171.7	-62.6	-4.9	0	0	0	109.2	L326 L351 V364 V365 V366 F367 L504 V506 M573 F576	L326-F328 HydrophobicContact CB-CD1 4.43Å; L326-F328 HydrophobicContact CB-CE1 3.92Å; L326-F328 HydrophobicContact CD1-CE1 4.2Å; L326-F328 HydrophobicContact CD1-CZ 4.41Å; F328-L351 HydrophobicContact CE2-CD2 4.23Å; F328-V364 HydrophobicContact CB-CG1 4.33Å; F328-V364 HydrophobicContact CD1-CG1 4.22Å; F328-V364 HydrophobicContact CD2-CG1 3.48Å; F328-V364 VanDerWaalsContact CD2-CG1 3.48Å; F328-V364 HydrophobicContact CE1-CG1 4.42Å; F328-V364 HydrophobicContact CE2-CG1 3.72Å; F328-V364 HydrophobicContact CE2-CG2 4.42Å; F328-V364 HydrophobicContact CG-CG1 3.75Å; F328-V364 HydrophobicContact CZ-CG1 4.19Å; F328-V364 HydrophobicContact CZ-CG2 4.49Å; F328-V365 PolarHBondContact N-O 3.28Å; F328-V366 HydrophobicContact CB-CG1 4.34Å; F328-V366 HydrophobicContact CB-CG2 4.25Å; F328-V366 CarbonylContact O-C 3.53Å; F328-V366 VanDerWaalsContact O-CA 3.31Å; F328-V366 WeakPolarHBondContact O-CA 3.27Å; F328-F367 PolarHBondContact O-N 3.23Å; F328-L504 VanDerWaalsContact CA-O 3.27Å; F328-L504 WeakPolarHBondContact CA-O 3.45Å; F328-L504 HydrophobicContact CD1-CB 3.51Å; F328-L504 HydrophobicContact CD1-CD2 4.21Å; F328-L504 HydrophobicContact CD1-CG 4.45Å; F328-L504 HydrophobicContact CD2-CD2 4.34Å; F328-L504 HydrophobicContact CE1-CB 3.66Å; F328-L504 HydrophobicContact CE1-CD2 3.95Å; F328-L504 HydrophobicContact CE1-CG 4.47Å; F328-L504 HydrophobicContact CE2-CD2 4.08Å; F328-L504 HydrophobicContact CG-CB 4.19Å; F328-L504 HydrophobicContact CG-CD2 4.42Å; F328-L504 HydrophobicContact CZ-CB 4.45Å; F328-L504 HydrophobicContact CZ-CD2 3.88Å; F328-V506 HydrophobicContact CB-CG2 4.48Å; F328-M573 HydrophobicContact CD2-SD 4.27Å; F328-M573 HydrophobicContact CE2-CB 4.09Å; F328-M573 HydrophobicContact CE2-CG 4.12Å; F328-M573 HydrophobicContact CE2-SD 4.28Å; F328-F576 AromaticContact CE1-CD1 3.71Å; F328-F576 HydrophobicContact CE1-CD1 3.71Å; F328-F576 AromaticContact CE1-CE1 3.82Å; F328-F576 HydrophobicContact CE1-CE1 3.82Å; F328-F576 AromaticContact CZ-CD1 3.8Å; F328-F576 HydrophobicContact CZ-CD1 3.8Å; F328-F576 HydrophobicContact CZ-CE1 4.38Å
329	F	98.8	Very high	95.3	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	154.2	175.1	77.1	-77.1	0	0	0	112.9	A331 F367 F498 V499 C502 L504 V506 F507 C521	F329-A331 HydrophobicContact CD2-CB 4.05Å; F329-A331 HydrophobicContact CE2-CB 4.12Å; F329-F367 CarbonylContact C-O 3.51Å; F329-F367 VanDerWaalsContact CA-O 3.23Å; F329-F367 WeakPolarHBondContact CA-O 3.48Å; F329-F367 HydrophobicContact CB-CB 3.95Å; F329-F498 HydrophobicContact CB-CE1 3.83Å; F329-F498 HydrophobicContact CB-CZ 3.99Å; F329-F498 HydrophobicContact CD1-CE1 4.47Å; F329-F498 AromaticContact CD2-CE1 3.92Å; F329-F498 HydrophobicContact CD2-CE1 3.92Å; F329-F498 AromaticContact CG-CE1 3.82Å; F329-F498 HydrophobicContact CG-CE1 3.82Å; F329-F498 HydrophobicContact CG-CZ 4.42Å; F329-V499 HydrophobicContact CE1-CG1 4.23Å; F329-V499 HydrophobicContact CE1-CG2 4.48Å; F329-V499 HydrophobicContact CE2-CG2 3.85Å; F329-V499 HydrophobicContact CZ-CB 4.16Å; F329-V499 HydrophobicContact CZ-CG1 3.8Å; F329-V499 HydrophobicContact CZ-CG2 3.62Å; F329-C502 HydrophobicContact CD1-CB 3.58Å; F329-C502 HydrophobicContact CE1-CB 3.85Å; F329-L504 PolarHBondContact N-O 3.11Å; F329-L504 VanDerWaalsContact N-O 3.12Å; F329-V506 PolarHBondContact O-N 3.15Å; F329-F507 HydrophobicContact CD2-CE1 4.42Å; F329-F507 HydrophobicContact CD2-CZ 4.45Å; F329-F507 AromaticContact CE2-CE1 4Å; F329-F507 HydrophobicContact CE2-CE1 4Å; F329-F507 AromaticContact CE2-CZ 3.73Å; F329-F507 HydrophobicContact CE2-CZ 3.73Å; F329-F507 HydrophobicContact CZ-CE1 4.49Å; F329-F507 AromaticContact CZ-CZ 3.78Å; F329-F507 HydrophobicContact CZ-CZ 3.78Å; F329-C521 VanDerWaalsContact CZ-SG 3.53Å
330	I	98.6	Very high	95.5	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	137.7	163.5	-171.9	171.6	0	0	0	107.7	A341 F344 F367 F368 I369 M370 V506 F507	I330-A341 HydrophobicContact CD1-CB 4.49Å; I330-F344 HydrophobicContact CB-CD1 3.96Å; I330-F344 HydrophobicContact CB-CE1 3.86Å; I330-F344 HydrophobicContact CD1-CD1 4.19Å; I330-F344 HydrophobicContact CG2-CD1 3.8Å; I330-F344 HydrophobicContact CG2-CE1 3.77Å; I330-F367 PolarHBondContact N-O 3.34Å; I330-F368 HydrophobicContact CG2-CB 4.19Å; I330-F368 HydrophobicContact CG2-CD1 3.28Å; I330-F368 HydrophobicContact CG2-CD2 4.47Å; I330-F368 HydrophobicContact CG2-CE1 3.66Å; I330-F368 HydrophobicContact CG2-CG 3.74Å; I330-F368 HydrophobicContact CG2-CZ 4.38Å; I330-I369 PolarHBondContact O-N 3.45Å; I330-M370 HydrophobicContact CB-CE 4.49Å; I330-M370 HydrophobicContact CD1-CE 3.58Å; I330-M370 HydrophobicContact CG1-CE 3.66Å; I330-M370 HydrophobicContact CG2-CE 4.11Å; I330-V506 WeakPolarHBondContact CB-O 3.46Å; I330-V506 VanDerWaalsContact CG1-O 3.3Å; I330-V506 WeakPolarHBondContact CG1-O 3.31Å; I330-F507 HydrophobicContact CG1-CD1 4.23Å
331	A	96.6	Very high	95.7	Very high	5 Å²	5	31.6 Å²	31.6	4%	0.041	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	147.8	-179.1	0	0	0	0	0	111.1	F329 I369 Y495 T517	F329-A331 HydrophobicContact CD2-CB 4.05Å; F329-A331 HydrophobicContact CE2-CB 4.12Å; A331-I369 VanDerWaalsContact CA-O 3.31Å; A331-I369 WeakPolarHBondContact CA-O 3.32Å; A331-I369 HydrophobicContact CB-CB 3.99Å; A331-Y495 HydrophobicContact CB-CE2 3.88Å; A331-T517 HydrophobicContact CB-CG2 4.18Å
332	G	92.8	Very high	95.7	Very high	20 Å²	20	30 Å²	30	21%	0.206	14%	0.141	C	C	.	.	S	Bend	trans	152.6	-171	173.5	0	0	0	0	0	113.4	I369 P371	G332-I369 PolarHBondContact N-O 3.4Å; G332-I369 VanDerWaalsContact N-O 3.16Å; G332-P371 WeakPolarHBondContact O-CD 3.24Å
333	R	91.5	Very high	95.8	Very high	127 Å²	127	30.1 Å²	30.1	48%	0.479	14%	0.142	S	C	.	.	S	Bend	trans	-57.6	146.8	169.9	-60.8	-169.6	-56.7	-145.4	-2.8	109.8	R213 E335	R213-R333 VanDerWaalsContact NH2-CZ 3.28Å; R333-E335 HydrophobicContact CB-CG 4.3Å; R333-E335 IonicContact CZ-OE1 3.79Å; R333-E335 IonicContact NE-OE1 3.89Å; R333-E335 PolarHBondContact NE-OE1 3Å; R333-E335 IonicContact NH2-OE1 2.79Å; R333-E335 PolarHBondContact NH2-OE1 2.83Å; R333-E335 IonicContact NH2-OE2 3.31Å; R333-E335 PolarHBondContact O-N 3.4Å
334	Y	94.4	Very high	96	Very high	58 Å²	58	25.7 Å²	25.7	23%	0.227	12%	0.118	C	C	.	.	S	Bend	trans	-77	74.6	180	-160.4	175.2	0	0	0	111.7	M370 P371 A372 D456 I458 F479	Y334-M370 HydrophobicContact CD2-CB 4.17Å; Y334-M370 HydrophobicContact CD2-SD 4.04Å; Y334-M370 HydrophobicContact CE2-SD 4.44Å; Y334-M370 HydrophobicContact CG-CB 4.08Å; Y334-P371 VanDerWaalsContact CB-O 3.31Å; Y334-P371 WeakPolarHBondContact CB-O 3.47Å; Y334-A372 HydrophobicContact CD1-CB 3.47Å; Y334-A372 VanDerWaalsContact CD1-CB 3.47Å; Y334-A372 HydrophobicContact CE1-CB 3.48Å; Y334-A372 VanDerWaalsContact CE1-CB 3.48Å; Y334-D456 WeakPolarHBondContact CE1-OD2 3.38Å; Y334-D456 PolarHBondContact OH-OD1 3.03Å; Y334-D456 VanDerWaalsContact OH-OD1 3.08Å; Y334-D456 PolarHBondContact OH-OD2 3.11Å; Y334-I458 HydrophobicContact CD2-CD1 4.47Å; Y334-I458 HydrophobicContact CE2-CD1 3.6Å; Y334-I458 HydrophobicContact CE2-CG1 3.9Å; Y334-I458 WeakPolarHBondContact OH-CG1 3.5Å; Y334-I458 PolarHBondContact OH-N 3.38Å; Y334-F479 AromaticContact CE1-CZ 3.84Å; Y334-F479 HydrophobicContact CE1-CZ 3.84Å; Y334-F479 AromaticContact CZ-CZ 3.95Å
335	E	93.1	Very high	96.2	Very high	30 Å²	30	19.2 Å²	19.2	14%	0.14	9%	0.094	C	C	.	.			trans	-117.4	85.3	174.2	-59.9	179.1	-170.7	0	0	108.6	R213 R333 S337 N338 K339	R213-E335 IonicContact CZ-OE1 2.62Å; R213-E335 IonicContact NE-OE1 2.66Å; R213-E335 IonicContact NH2-OE1 3.46Å; R213-E335 PolarHBondContact NH2-OE1 3.26Å; R333-E335 HydrophobicContact CB-CG 4.3Å; R333-E335 IonicContact CZ-OE1 3.79Å; R333-E335 IonicContact NE-OE1 3.89Å; R333-E335 PolarHBondContact NE-OE1 3Å; R333-E335 IonicContact NH2-OE1 2.79Å; R333-E335 PolarHBondContact NH2-OE1 2.83Å; R333-E335 IonicContact NH2-OE2 3.31Å; R333-E335 PolarHBondContact O-N 3.4Å; E335-S337 PolarHBondContact O-N 3.26Å; E335-N338 HydrophobicContact CB-CB 3.86Å; E335-N338 PolarHBondContact O-N 3.44Å; E335-N338 WeakPolarHBondContact OE2-CB 3.48Å; E335-N338 PolarHBondContact OE2-ND2 3.1Å; E335-K339 HydrophobicContact CB-CG 4.34Å; E335-K339 WeakPolarHBondContact O-CB 3.29Å; E335-K339 PolarHBondContact O-N 3.46Å
336	F	94.3	Very high	96.2	Very high	35 Å²	35	21.5 Å²	21.5	15%	0.154	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-54.3	-167.1	-176.7	-112.3	0	0	0	114.1	G340 A341 D342 L345 P457 I458 N461	F336-G340 PolarHBondContact O-N 3Å; F336-A341 HydrophobicContact CD2-CB 3.63Å; F336-A341 HydrophobicContact CE2-CB 3.87Å; F336-A341 HydrophobicContact CG-CB 4.5Å; F336-A341 PolarHBondContact O-N 2.98Å; F336-D342 HydrophobicContact CD1-CB 4.21Å; F336-D342 HydrophobicContact CE1-CB 3.57Å; F336-D342 HydrophobicContact CZ-CB 3.74Å; F336-L345 HydrophobicContact CE2-CD1 3.96Å; F336-L345 HydrophobicContact CZ-CD1 4.33Å; F336-P457 HydrophobicContact CB-CB 4.04Å; F336-P457 HydrophobicContact CB-CG 4.47Å; F336-P457 HydrophobicContact CD1-CB 3.72Å; F336-P457 HydrophobicContact CD2-CB 3.69Å; F336-P457 HydrophobicContact CE1-CB 4.03Å; F336-P457 HydrophobicContact CE2-CB 4.03Å; F336-P457 HydrophobicContact CG-CB 3.53Å; F336-P457 HydrophobicContact CG-CG 4.45Å; F336-P457 HydrophobicContact CZ-CB 4.19Å; F336-I458 HydrophobicContact CD2-CG1 3.91Å; F336-I458 HydrophobicContact CE2-CG1 3.97Å; F336-N461 HydrophobicContact CZ-CB 4.31Å; F336-N461 VanDerWaalsContact CZ-ND2 3.27Å; F336-N461 WeakPolarHBondContact CZ-ND2 3.37Å
337	S	92.9	Very high	96.2	Very high	34 Å²	34	21.4 Å²	21.4	24%	0.238	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-42.7	179.9	-44.7	0	0	0	0	112.8	N219 E335 K339 G340	N219-S337 PolarHBondContact OD1-OG 2.97Å; E335-S337 PolarHBondContact O-N 3.26Å; S337-K339 VanDerWaalsContact C-N 3.34Å; S337-K339 PolarHBondContact O-N 2.77Å; S337-G340 PolarHBondContact O-N 2.84Å
338	N	93.6	Very high	96.1	Very high	7 Å²	7	21.4 Å²	21.4	4%	0.037	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-39.8	-177.1	-69.7	-9.8	0	0	0	112.1	C216 E335 G340 S509 Y510 Y511	C216-N338 WeakPolarHBondContact CB-OD1 3.36Å; C216-N338 PolarHBondContact O-OD1 3.03Å; E335-N338 HydrophobicContact CB-CB 3.86Å; E335-N338 PolarHBondContact O-N 3.44Å; E335-N338 WeakPolarHBondContact OE2-CB 3.48Å; E335-N338 PolarHBondContact OE2-ND2 3.1Å; N338-G340 VanDerWaalsContact C-N 3.26Å; N338-S509 CarbonylContact O-C 3.51Å; N338-S509 WeakPolarHBondContact O-CA 3.31Å; N338-Y510 PolarHBondContact O-N 3.38Å; N338-Y511 PolarHBondContact O-N 2.96Å
339	K	95.6	Very high	96.1	Very high	26 Å²	26	23 Å²	23	11%	0.113	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-3.9	176	-68.7	-69.6	176.8	174.1	0	113.4	E335 S337 A341 M370 E512	E335-K339 HydrophobicContact CB-CG 4.34Å; E335-K339 WeakPolarHBondContact O-CB 3.29Å; E335-K339 PolarHBondContact O-N 3.46Å; S337-K339 VanDerWaalsContact C-N 3.34Å; S337-K339 PolarHBondContact O-N 2.77Å; K339-A341 VanDerWaalsContact C-N 3.33Å; K339-A341 PolarHBondContact O-N 3.31Å; K339-M370 HydrophobicContact CB-CE 4Å; K339-E512 IonicContact NZ-OE1 3.91Å; K339-E512 PolarHBondContact NZ-OE1 3.1Å
340	G	96.2	Very high	96	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	22.9	176.3	0	0	0	0	0	114.2	F336 S337 N338 D342 I343 F344 P508	F336-G340 PolarHBondContact O-N 3Å; S337-G340 PolarHBondContact O-N 2.84Å; N338-G340 VanDerWaalsContact C-N 3.26Å; G340-D342 WeakPolarHBondContact CA-OD1 3.41Å; G340-D342 PolarHBondContact O-N 2.83Å; G340-I343 PolarHBondContact O-N 3.33Å; G340-F344 WeakPolarHBondContact O-CB 3.26Å; G340-F344 PolarHBondContact O-N 2.85Å; G340-P508 WeakPolarHBondContact CA-O 3.49Å; G340-P508 WeakPolarHBondContact O-CG 3.38Å
341	A	97.3	Very high	96	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62.7	-28.6	178.5	0	0	0	0	0	111.7	I330 F336 K339 L345 F368 M370	I330-A341 HydrophobicContact CD1-CB 4.49Å; F336-A341 HydrophobicContact CD2-CB 3.63Å; F336-A341 HydrophobicContact CE2-CB 3.87Å; F336-A341 HydrophobicContact CG-CB 4.5Å; F336-A341 PolarHBondContact O-N 2.98Å; K339-A341 VanDerWaalsContact C-N 3.33Å; K339-A341 PolarHBondContact O-N 3.31Å; A341-L345 WeakPolarHBondContact O-CB 3.42Å; A341-L345 VanDerWaalsContact O-CG 3.29Å; A341-L345 WeakPolarHBondContact O-CG 3.45Å; A341-L345 PolarHBondContact O-N 2.82Å; A341-F368 HydrophobicContact CB-CE1 4.37Å; A341-M370 HydrophobicContact CB-CE 4.16Å; A341-M370 HydrophobicContact CB-SD 4.42Å
342	D	95.8	Very high	96.1	Very high	46 Å²	46	25.4 Å²	25.4	25%	0.246	12%	0.123	C	C	.	.	H	α-helix	trans	-58.1	-58.9	171.2	57.8	-17.1	0	0	0	112.8	F336 G340 F344 L345 E346	F336-D342 HydrophobicContact CD1-CB 4.21Å; F336-D342 HydrophobicContact CE1-CB 3.57Å; F336-D342 HydrophobicContact CZ-CB 3.74Å; G340-D342 WeakPolarHBondContact CA-OD1 3.41Å; G340-D342 PolarHBondContact O-N 2.83Å; D342-F344 VanDerWaalsContact C-N 3.28Å; D342-F344 PolarHBondContact O-N 2.84Å; D342-L345 PolarHBondContact O-N 3.15Å; D342-E346 PolarHBondContact O-N 2.71Å; D342-E346 VanDerWaalsContact O-N 3.14Å
343	I	96.8	Very high	96.3	Very high	13 Å²	13	31.7 Å²	31.7	7%	0.067	14%	0.142	C	C	.	.	H	α-helix	trans	-67.3	-32.7	178.8	-84.8	161.2	0	0	0	111	G340 S347 R557 A562 C566 L569	G340-I343 PolarHBondContact O-N 3.33Å; I343-S347 WeakPolarHBondContact O-CB 3.08Å; I343-S347 PolarHBondContact O-N 3.03Å; I343-S347 PolarHBondContact O-OG 2.89Å; I343-R557 VanDerWaalsContact CD1-NH1 3.31Å; I343-A562 HydrophobicContact CD1-CB 4.27Å; I343-C566 HydrophobicContact CG2-CB 4.42Å; I343-L569 HydrophobicContact CG2-CD2 3.9Å
344	F	98.5	Very high	96.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.5	-51.4	175.3	-172.6	-150.3	0	0	0	111.1	I330 G340 D342 E346 S347 L348 V366 F368 V506 P508 L569 M573	I330-F344 HydrophobicContact CB-CD1 3.96Å; I330-F344 HydrophobicContact CB-CE1 3.86Å; I330-F344 HydrophobicContact CD1-CD1 4.19Å; I330-F344 HydrophobicContact CG2-CD1 3.8Å; I330-F344 HydrophobicContact CG2-CE1 3.77Å; G340-F344 WeakPolarHBondContact O-CB 3.26Å; G340-F344 PolarHBondContact O-N 2.85Å; D342-F344 VanDerWaalsContact C-N 3.28Å; D342-F344 PolarHBondContact O-N 2.84Å; F344-E346 VanDerWaalsContact C-N 3.34Å; F344-E346 PolarHBondContact O-N 2.89Å; F344-S347 PolarHBondContact O-N 2.78Å; F344-S347 VanDerWaalsContact O-N 3.14Å; F344-L348 HydrophobicContact CD1-CD1 4.47Å; F344-L348 HydrophobicContact CD2-CD1 4.26Å; F344-L348 HydrophobicContact CD2-CD2 4.25Å; F344-L348 HydrophobicContact CD2-CG 3.99Å; F344-L348 HydrophobicContact CE1-CD1 4.28Å; F344-L348 HydrophobicContact CE2-CD1 4.05Å; F344-L348 HydrophobicContact CE2-CD2 3.63Å; F344-L348 HydrophobicContact CE2-CG 3.83Å; F344-L348 HydrophobicContact CG-CD1 4.47Å; F344-L348 HydrophobicContact CZ-CD1 4.07Å; F344-L348 HydrophobicContact CZ-CD2 4.12Å; F344-L348 HydrophobicContact CZ-CG 4.33Å; F344-L348 VanDerWaalsContact O-CG 3.3Å; F344-L348 WeakPolarHBondContact O-CG 3.41Å; F344-L348 PolarHBondContact O-N 2.79Å; F344-V366 HydrophobicContact CE1-CG1 3.53Å; F344-V366 HydrophobicContact CE2-CG1 4.5Å; F344-V366 HydrophobicContact CZ-CG1 3.41Å; F344-V366 VanDerWaalsContact CZ-CG1 3.41Å; F344-F368 AromaticContact CD1-CE1 3.71Å; F344-F368 HydrophobicContact CD1-CE1 3.71Å; F344-F368 HydrophobicContact CD1-CE2 4.42Å; F344-F368 AromaticContact CD1-CZ 3.55Å; F344-F368 HydrophobicContact CD1-CZ 3.55Å; F344-F368 HydrophobicContact CE1-CE1 4.24Å; F344-F368 HydrophobicContact CE1-CE2 4.27Å; F344-F368 AromaticContact CE1-CZ 3.83Å; F344-F368 HydrophobicContact CE1-CZ 3.83Å; F344-F368 HydrophobicContact CG-CZ 4.42Å; F344-V506 HydrophobicContact CD2-CB 4.22Å; F344-V506 HydrophobicContact CD2-CG1 3.51Å; F344-V506 HydrophobicContact CE1-CB 4.26Å; F344-V506 HydrophobicContact CE2-CB 3.68Å; F344-V506 HydrophobicContact CE2-CG1 3.39Å; F344-V506 HydrophobicContact CE2-CG2 3.98Å; F344-V506 HydrophobicContact CG-CG1 4.15Å; F344-V506 HydrophobicContact CZ-CB 3.69Å; F344-V506 HydrophobicContact CZ-CG1 3.93Å; F344-V506 HydrophobicContact CZ-CG2 4.04Å; F344-P508 HydrophobicContact CB-CG 3.97Å; F344-L569 HydrophobicContact CD2-CD2 4.42Å; F344-M573 HydrophobicContact CD2-SD 4.28Å; F344-M573 HydrophobicContact CE2-SD 3.73Å
345	L	98.3	Very high	96.6	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-58	-43.6	178	-77.7	168.6	0	0	0	112.5	F336 A341 D342 S347 L348 S349 F368 I458 N461 V462 I465 I477	F336-L345 HydrophobicContact CE2-CD1 3.96Å; F336-L345 HydrophobicContact CZ-CD1 4.33Å; A341-L345 WeakPolarHBondContact O-CB 3.42Å; A341-L345 VanDerWaalsContact O-CG 3.29Å; A341-L345 WeakPolarHBondContact O-CG 3.45Å; A341-L345 PolarHBondContact O-N 2.82Å; D342-L345 PolarHBondContact O-N 3.15Å; L345-S347 VanDerWaalsContact C-N 3.35Å; L345-S347 PolarHBondContact O-N 3.35Å; L345-L348 PolarHBondContact O-N 3.01Å; L345-S349 PolarHBondContact O-N 3.48Å; L345-F368 HydrophobicContact CD2-CE1 4.11Å; L345-F368 HydrophobicContact CD2-CE2 3.97Å; L345-F368 HydrophobicContact CD2-CZ 3.45Å; L345-F368 VanDerWaalsContact CD2-CZ 3.45Å; L345-F368 HydrophobicContact CG-CE1 3.98Å; L345-F368 HydrophobicContact CG-CZ 3.72Å; L345-I458 HydrophobicContact CD1-CG2 4.46Å; L345-N461 HydrophobicContact CD1-CB 3.66Å; L345-V462 HydrophobicContact CD2-CG2 3.76Å; L345-I465 HydrophobicContact CB-CD1 4.15Å; L345-I465 HydrophobicContact CD2-CD1 4.24Å; L345-I465 WeakPolarHBondContact O-CD1 3.45Å; L345-I477 HydrophobicContact CD2-CD1 3.91Å
346	E	98	Very high	96.6	Very high	48 Å²	48	29.6 Å²	29.6	22%	0.224	14%	0.135	C	C	.	.	H	α-helix	trans	-63.2	-41.8	176.9	-168.6	61.2	-139	0	0	111.7	D342 F344 L348 S349 R350 R464	D342-E346 PolarHBondContact O-N 2.71Å; D342-E346 VanDerWaalsContact O-N 3.14Å; F344-E346 VanDerWaalsContact C-N 3.34Å; F344-E346 PolarHBondContact O-N 2.89Å; E346-L348 VanDerWaalsContact C-N 3.31Å; E346-L348 PolarHBondContact O-N 2.93Å; E346-S349 WeakPolarHBondContact O-CB 3.43Å; E346-S349 PolarHBondContact O-N 3.49Å; E346-R350 PolarHBondContact O-N 3.35Å; E346-R350 IonicContact OE1-NE 2.65Å; E346-R350 IonicContact OE1-NH2 3.75Å; E346-R464 IonicContact OE2-CZ 3.11Å; E346-R464 IonicContact OE2-NH1 3.74Å; E346-R464 PolarHBondContact OE2-NH1 3.29Å; E346-R464 IonicContact OE2-NH2 3.72Å; E346-R464 PolarHBondContact OE2-NH2 2.93Å
347	S	98.5	Very high	96.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-66	-32.8	176.9	-53.1	0	0	0	0	112.4	I343 F344 L345 R350 L351 C566 L569 T570 M573	I343-S347 WeakPolarHBondContact O-CB 3.08Å; I343-S347 PolarHBondContact O-N 3.03Å; I343-S347 PolarHBondContact O-OG 2.89Å; F344-S347 PolarHBondContact O-N 2.78Å; F344-S347 VanDerWaalsContact O-N 3.14Å; L345-S347 VanDerWaalsContact C-N 3.35Å; L345-S347 PolarHBondContact O-N 3.35Å; S347-R350 PolarHBondContact O-N 3.31Å; S347-L351 WeakPolarHBondContact O-CB 3.35Å; S347-L351 PolarHBondContact O-N 2.92Å; S347-C566 PolarHBondContact N-SG 2.96Å; S347-C566 PolarHBondContact OG-O 3.29Å; S347-C566 PolarHBondContact OG-SG 2.86Å; S347-L569 WeakPolarHBondContact OG-CD2 3.25Å; S347-T570 WeakPolarHBondContact CA-OG1 3.48Å; S347-T570 WeakPolarHBondContact CB-OG1 3.42Å; S347-T570 PolarHBondContact O-OG1 3.46Å; S347-M573 VanDerWaalsContact CB-CE 3.47Å
348	L	98.4	Very high	96.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-67.5	-35.8	175.4	-69.4	175.8	0	0	0	112.4	F344 L345 E346 R350 L351 N352 V366 F368 L467 V475 M573	F344-L348 HydrophobicContact CD1-CD1 4.47Å; F344-L348 HydrophobicContact CD2-CD1 4.26Å; F344-L348 HydrophobicContact CD2-CD2 4.25Å; F344-L348 HydrophobicContact CD2-CG 3.99Å; F344-L348 HydrophobicContact CE1-CD1 4.28Å; F344-L348 HydrophobicContact CE2-CD1 4.05Å; F344-L348 HydrophobicContact CE2-CD2 3.63Å; F344-L348 HydrophobicContact CE2-CG 3.83Å; F344-L348 HydrophobicContact CG-CD1 4.47Å; F344-L348 HydrophobicContact CZ-CD1 4.07Å; F344-L348 HydrophobicContact CZ-CD2 4.12Å; F344-L348 HydrophobicContact CZ-CG 4.33Å; F344-L348 VanDerWaalsContact O-CG 3.3Å; F344-L348 WeakPolarHBondContact O-CG 3.41Å; F344-L348 PolarHBondContact O-N 2.79Å; L345-L348 PolarHBondContact O-N 3.01Å; E346-L348 VanDerWaalsContact C-N 3.31Å; E346-L348 PolarHBondContact O-N 2.93Å; L348-R350 VanDerWaalsContact C-N 3.35Å; L348-L351 HydrophobicContact CD2-CD2 4.29Å; L348-L351 PolarHBondContact O-N 2.89Å; L348-N352 WeakPolarHBondContact O-CB 3.47Å; L348-N352 PolarHBondContact O-N 3.4Å; L348-V366 HydrophobicContact CD1-CB 4.18Å; L348-V366 HydrophobicContact CD1-CG1 3.87Å; L348-V366 HydrophobicContact CD1-CG2 4.01Å; L348-V366 HydrophobicContact CD2-CG2 3.71Å; L348-V366 HydrophobicContact CG-CG2 4.5Å; L348-F368 HydrophobicContact CD1-CE2 4.07Å; L348-F368 HydrophobicContact CD1-CZ 4Å; L348-L467 HydrophobicContact CB-CD1 4.18Å; L348-V475 HydrophobicContact CB-CG1 4.3Å; L348-V475 HydrophobicContact CD2-CG1 4.1Å; L348-M573 HydrophobicContact CD2-CE 4.26Å; L348-M573 HydrophobicContact CD2-SD 3.98Å
349	S	97.8	Very high	95.9	Very high	33 Å²	33	46 Å²	46	23%	0.231	20%	0.204	C	C	.	.	H	α-helix	trans	-61.1	-45.4	173.6	-175	0	0	0	0	111.2	L345 E346 N352 Y353	L345-S349 PolarHBondContact O-N 3.48Å; E346-S349 WeakPolarHBondContact O-CB 3.43Å; E346-S349 PolarHBondContact O-N 3.49Å; S349-N352 WeakPolarHBondContact O-CB 3.39Å; S349-N352 PolarHBondContact O-N 2.91Å; S349-Y353 PolarHBondContact O-N 3.43Å; S349-Y353 VanDerWaalsContact O-N 3.08Å
350	R	98	Very high	94.9	Very high	47 Å²	47	46.5 Å²	46.5	18%	0.177	21%	0.208	C	C	.	.	H	α-helix	trans	-65.7	-42.5	176.5	-61.1	173	-168.3	-162.6	-0.3	111.9	E346 S347 L348 N352 Y353 L354 E563 C566 N567 T570	E346-R350 PolarHBondContact O-N 3.35Å; E346-R350 IonicContact OE1-NE 2.65Å; E346-R350 IonicContact OE1-NH2 3.75Å; S347-R350 PolarHBondContact O-N 3.31Å; L348-R350 VanDerWaalsContact C-N 3.35Å; R350-N352 VanDerWaalsContact C-N 3.32Å; R350-N352 PolarHBondContact O-N 2.99Å; R350-Y353 WeakPolarHBondContact O-CB 3.42Å; R350-Y353 PolarHBondContact O-N 3.21Å; R350-L354 WeakPolarHBondContact O-CG 3.32Å; R350-L354 PolarHBondContact O-N 2.93Å; R350-E563 IonicContact CZ-OE1 2.87Å; R350-E563 VanDerWaalsContact CZ-OE1 3.27Å; R350-E563 IonicContact CZ-OE2 2.64Å; R350-E563 VanDerWaalsContact NH1-CD 3.33Å; R350-E563 IonicContact NH1-OE1 3.03Å; R350-E563 PolarHBondContact NH1-OE1 3.15Å; R350-E563 IonicContact NH1-OE2 3.34Å; R350-E563 PolarHBondContact NH1-OE2 3.48Å; R350-E563 VanDerWaalsContact NH2-CD 3.31Å; R350-E563 IonicContact NH2-OE1 3.43Å; R350-E563 PolarHBondContact NH2-OE1 3.21Å; R350-E563 IonicContact NH2-OE2 3.23Å; R350-E563 PolarHBondContact NH2-OE2 2.59Å; R350-C566 PolarHBondContact NE-SG 3.24Å; R350-C566 VanDerWaalsContact NE-SG 3.44Å; R350-C566 PolarHBondContact NH1-SG 2.96Å; R350-N567 PolarHBondContact NH1-ND2 3.16Å; R350-N567 PolarHBondContact NH1-OD1 3.27Å; R350-T570 HydrophobicContact CB-CG2 3.66Å
351	L	98.1	Very high	94.4	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59.5	-43	174.2	-179.6	63.5	0	0	0	111.6	F328 S347 L348 Y353 L354 L355 V364 V475 T570 M573 F574	F328-L351 HydrophobicContact CE2-CD2 4.23Å; S347-L351 WeakPolarHBondContact O-CB 3.35Å; S347-L351 PolarHBondContact O-N 2.92Å; L348-L351 HydrophobicContact CD2-CD2 4.29Å; L348-L351 PolarHBondContact O-N 2.89Å; L351-Y353 VanDerWaalsContact C-N 3.32Å; L351-Y353 PolarHBondContact O-N 3.17Å; L351-L354 PolarHBondContact O-N 3.44Å; L351-L355 HydrophobicContact CD1-CD1 4.15Å; L351-L355 HydrophobicContact CD1-CG 4.12Å; L351-L355 HydrophobicContact CG-CD1 3.99Å; L351-L355 HydrophobicContact CG-CG 4.37Å; L351-L355 WeakPolarHBondContact O-CB 3.31Å; L351-L355 WeakPolarHBondContact O-CG 3.46Å; L351-L355 PolarHBondContact O-N 2.91Å; L351-V364 HydrophobicContact CD2-CG2 4.49Å; L351-V475 HydrophobicContact CB-CG2 4.41Å; L351-V475 HydrophobicContact CD2-CG2 4.06Å; L351-V475 HydrophobicContact CG-CG2 4.03Å; L351-T570 HydrophobicContact CB-CG2 4.5Å; L351-M573 HydrophobicContact CB-CE 4.33Å; L351-M573 HydrophobicContact CD1-CB 4.27Å; L351-M573 HydrophobicContact CD2-CB 3.87Å; L351-M573 HydrophobicContact CD2-CE 4.17Å; L351-M573 HydrophobicContact CD2-SD 4.13Å; L351-F574 HydrophobicContact CD1-CB 3.91Å; L351-F574 HydrophobicContact CD1-CD2 4.12Å
352	N	97.8	Very high	94.3	Very high	10 Å²	10	50.7 Å²	50.7	5%	0.053	23%	0.231	C	C	.	.	H	α-helix	trans	-58.7	-45	175.9	-172.4	46.6	0	0	0	111.3	L348 S349 R350 R356 L467 D473 R474 V475	L348-N352 WeakPolarHBondContact O-CB 3.47Å; L348-N352 PolarHBondContact O-N 3.4Å; S349-N352 WeakPolarHBondContact O-CB 3.39Å; S349-N352 PolarHBondContact O-N 2.91Å; R350-N352 VanDerWaalsContact C-N 3.32Å; R350-N352 PolarHBondContact O-N 2.99Å; N352-R356 WeakPolarHBondContact O-CB 3.39Å; N352-R356 VanDerWaalsContact O-CG 3.22Å; N352-R356 WeakPolarHBondContact O-CG 3.49Å; N352-R356 PolarHBondContact O-N 3Å; N352-R356 VanDerWaalsContact O-N 3.1Å; N352-L467 HydrophobicContact CB-CD2 3.95Å; N352-L467 VanDerWaalsContact ND2-CD2 3.33Å; N352-L467 WeakPolarHBondContact ND2-CD2 3.44Å; N352-D473 PolarHBondContact ND2-OD1 3.3Å; N352-D473 VanDerWaalsContact ND2-OD1 3.08Å; N352-D473 WeakPolarHBondContact OD1-CA 3.38Å; N352-R474 PolarHBondContact OD1-N 2.95Å; N352-V475 HydrophobicContact CB-CB 4.11Å; N352-V475 HydrophobicContact CB-CG2 4.03Å; N352-V475 PolarHBondContact OD1-N 3.19Å; N352-V475 VanDerWaalsContact OD1-N 3.15Å
353	Y	96.9	Very high	94.4	Very high	152 Å²	152	48.6 Å²	48.6	60%	0.596	22%	0.219	S	C	*	.	H	α-helix	trans	-60.2	-50.5	175.4	176.8	-97.2	0	0	0	111.9	S349 R350 L351 L355 R356 V357	S349-Y353 PolarHBondContact O-N 3.43Å; S349-Y353 VanDerWaalsContact O-N 3.08Å; R350-Y353 WeakPolarHBondContact O-CB 3.42Å; R350-Y353 PolarHBondContact O-N 3.21Å; L351-Y353 VanDerWaalsContact C-N 3.32Å; L351-Y353 PolarHBondContact O-N 3.17Å; Y353-L355 PolarHBondContact O-N 3.46Å; Y353-R356 PolarHBondContact O-N 3.36Å; Y353-V357 HydrophobicContact CD1-CG2 4.23Å; Y353-V357 HydrophobicContact CD2-CG2 4.27Å; Y353-V357 HydrophobicContact CE1-CG2 3.8Å; Y353-V357 HydrophobicContact CE2-CG2 3.85Å; Y353-V357 HydrophobicContact CG-CG2 4.45Å; Y353-V357 WeakPolarHBondContact O-CG2 3.49Å; Y353-V357 PolarHBondContact O-N 3.21Å
354	L	96.6	Very high	94.5	Very high	45 Å²	45	48 Å²	48	24%	0.236	22%	0.216	C	C	.	.	H	α-helix	trans	-59.5	-46.2	180	-69.1	176.2	0	0	0	112.2	R350 L351 R356 V357 H358 T570 F574	R350-L354 WeakPolarHBondContact O-CG 3.32Å; R350-L354 PolarHBondContact O-N 2.93Å; L351-L354 PolarHBondContact O-N 3.44Å; L354-R356 VanDerWaalsContact C-N 3.29Å; L354-R356 PolarHBondContact O-N 3.37Å; L354-V357 PolarHBondContact O-N 3.45Å; L354-H358 WeakPolarHBondContact O-CB 3.47Å; L354-H358 PolarHBondContact O-CD2 2.84Å; L354-H358 VanDerWaalsContact O-CD2 3.3Å; L354-H358 PolarHBondContact O-N 3.47Å; L354-T570 HydrophobicContact CD1-CG2 3.71Å; L354-F574 HydrophobicContact CB-CD2 3.87Å; L354-F574 HydrophobicContact CB-CE2 3.89Å; L354-F574 HydrophobicContact CD1-CB 4.3Å; L354-F574 HydrophobicContact CD1-CD2 4.25Å; L354-F574 HydrophobicContact CD1-CG 4.12Å
355	L	95.9	Very high	94.5	Very high	0 Å²	0	48 Å²	48	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-63.1	-35.6	178.8	-69.8	175	0	0	0	112.4	L351 Y353 R359 N360 V364 R474 V475 F574 C577	L351-L355 HydrophobicContact CD1-CD1 4.15Å; L351-L355 HydrophobicContact CD1-CG 4.12Å; L351-L355 HydrophobicContact CG-CD1 3.99Å; L351-L355 HydrophobicContact CG-CG 4.37Å; L351-L355 WeakPolarHBondContact O-CB 3.31Å; L351-L355 WeakPolarHBondContact O-CG 3.46Å; L351-L355 PolarHBondContact O-N 2.91Å; Y353-L355 PolarHBondContact O-N 3.46Å; L355-R359 PolarHBondContact O-N 3.14Å; L355-N360 HydrophobicContact CD2-CB 4.08Å; L355-N360 PolarHBondContact O-N 2.9Å; L355-N360 VanDerWaalsContact O-N 3.16Å; L355-V364 HydrophobicContact CD1-CG2 3.98Å; L355-R474 HydrophobicContact CB-CB 3.7Å; L355-R474 HydrophobicContact CB-CG 4.06Å; L355-R474 HydrophobicContact CD1-CB 4.07Å; L355-V475 HydrophobicContact CD1-CG2 4.08Å; L355-F574 HydrophobicContact CD2-CD2 4.2Å; L355-F574 HydrophobicContact CD2-CE2 4.17Å; L355-C577 HydrophobicContact CD2-CB 4.23Å
356	R	94.1	Very high	94.5	Very high	125 Å²	125	48 Å²	48	47%	0.472	22%	0.216	S	C	.	.	H	α-helix	trans	-69	-44.4	175.5	-73.3	174.4	64.7	-171.2	-2.2	112.1	N352 Y353 L354 R359 N472 R474	N352-R356 WeakPolarHBondContact O-CB 3.39Å; N352-R356 VanDerWaalsContact O-CG 3.22Å; N352-R356 WeakPolarHBondContact O-CG 3.49Å; N352-R356 PolarHBondContact O-N 3Å; N352-R356 VanDerWaalsContact O-N 3.1Å; Y353-R356 PolarHBondContact O-N 3.36Å; L354-R356 VanDerWaalsContact C-N 3.29Å; L354-R356 PolarHBondContact O-N 3.37Å; R356-R359 PolarHBondContact O-N 3.31Å; R356-N472 WeakPolarHBondContact CD-O 3.43Å; R356-R474 HydrophobicContact CG-CG 3.88Å
357	V	93.9	Very high	94.6	Very high	82 Å²	82	45.7 Å²	45.7	50%	0.497	21%	0.206	S	C	.	.	H	α-helix	trans	-66.3	-43.9	-179.3	171.7	0	0	0	0	111.4	Y353 L354 R359	Y353-V357 HydrophobicContact CD1-CG2 4.23Å; Y353-V357 HydrophobicContact CD2-CG2 4.27Å; Y353-V357 HydrophobicContact CE1-CG2 3.8Å; Y353-V357 HydrophobicContact CE2-CG2 3.85Å; Y353-V357 HydrophobicContact CG-CG2 4.45Å; Y353-V357 WeakPolarHBondContact O-CG2 3.49Å; Y353-V357 PolarHBondContact O-N 3.21Å; L354-V357 PolarHBondContact O-N 3.45Å; V357-R359 PolarHBondContact O-N 2.7Å; V357-R359 VanDerWaalsContact O-N 3.15Å
358	H	89.9	Confident	94.6	Very high	116 Å²	116	45.7 Å²	45.7	54%	0.537	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-0.2	176.9	-78.3	-85.7	0	0	0	113.8	L354 N360 F574	L354-H358 WeakPolarHBondContact O-CB 3.47Å; L354-H358 PolarHBondContact O-CD2 2.84Å; L354-H358 VanDerWaalsContact O-CD2 3.3Å; L354-H358 PolarHBondContact O-N 3.47Å; H358-N360 PolarHBondContact O-N 2.99Å; H358-N360 VanDerWaalsContact O-N 3.11Å; H358-F574 AromaticContact CD2-CZ 3.51Å; H358-F574 AromaticContact CG-CZ 3.89Å; H358-F574 AromaticContact NE2-CZ 3.79Å
359	R	80.8	Confident	94.6	Very high	224 Å²	224	46 Å²	46	85%	0.845	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.9	34.9	-177.2	-60	-175.8	178.2	-177.4	-0.1	112.8	L355 R356 V357 D361	L355-R359 PolarHBondContact O-N 3.14Å; R356-R359 PolarHBondContact O-N 3.31Å; V357-R359 PolarHBondContact O-N 2.7Å; V357-R359 VanDerWaalsContact O-N 3.15Å; R359-D361 PolarHBondContact O-N 3.41Å
360	N	74.6	Confident	94.5	Very high	36 Å²	36	44.4 Å²	44.4	19%	0.193	20%	0.196	C	C	.	.			trans	-67.5	134.9	176.7	-162.9	-20.2	0	0	0	108.5	L355 H358 L362 R474	L355-N360 HydrophobicContact CD2-CB 4.08Å; L355-N360 PolarHBondContact O-N 2.9Å; L355-N360 VanDerWaalsContact O-N 3.16Å; H358-N360 PolarHBondContact O-N 2.99Å; H358-N360 VanDerWaalsContact O-N 3.11Å; N360-L362 WeakPolarHBondContact OD1-CB 3.37Å; N360-L362 PolarHBondContact OD1-N 3.43Å; N360-R474 PolarHBondContact O-NE 3.06Å; N360-R474 VanDerWaalsContact O-NE 3.1Å
361	D	87.4	Confident	94.4	Very high	75 Å²	75	44 Å²	44	40%	0.401	20%	0.199	S	C	.	.			trans	-84.1	-6.3	176.1	72.4	-32.2	0	0	0	112.4	R324 R359	R324-D361 WeakPolarHBondContact CD-OD2 3.32Å; R324-D361 IonicContact CZ-OD2 3.78Å; R324-D361 VanDerWaalsContact CZ-OD2 3.23Å; R324-D361 IonicContact NE-OD2 3.85Å; R324-D361 PolarHBondContact NE-OD2 2.96Å; R324-D361 IonicContact NH1-OD1 3.7Å; R324-D361 PolarHBondContact NH1-OD1 3.45Å; R324-D361 IonicContact NH1-OD2 2.78Å; R324-D361 PolarHBondContact NH1-OD2 3.33Å; R359-D361 PolarHBondContact O-N 3.41Å
362	L	94.4	Very high	94.3	Very high	13 Å²	13	45.3 Å²	45.3	7%	0.068	21%	0.21	C	C	.	.			trans	-64	138.7	171.8	-171.1	142.9	0	0	0	111.9	R324 L326 N360 V364 C577	R324-L362 WeakPolarHBondContact O-CA 3.5Å; L326-L362 HydrophobicContact CD1-CD1 3.85Å; L326-L362 HydrophobicContact CD1-CD2 4.15Å; L326-L362 HydrophobicContact CD1-CG 4.49Å; L326-L362 HydrophobicContact CG-CD1 4.04Å; L326-L362 HydrophobicContact CG-CD2 4.29Å; L326-L362 HydrophobicContact CG-CG 4.41Å; N360-L362 WeakPolarHBondContact OD1-CB 3.37Å; N360-L362 PolarHBondContact OD1-N 3.43Å; L362-V364 HydrophobicContact CD2-CG2 3.62Å; L362-C577 HydrophobicContact CD1-CB 4.39Å; L362-C577 VanDerWaalsContact CD1-O 3.27Å; L362-C577 WeakPolarHBondContact CD1-O 3.2Å; L362-C577 HydrophobicContact CD2-CB 4.01Å
363	T	97.8	Very high	94.2	Very high	1 Å²	1	52 Å²	52	1%	0.006	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	140.4	173	-59.7	0	0	0	0	109.6	F320 R324 T325 L326 V365 R474 K476	F320-T363 HydrophobicContact CB-CG2 4.35Å; F320-T363 WeakPolarHBondContact CB-OG1 3.4Å; F320-T363 HydrophobicContact CD1-CG2 4.45Å; F320-T363 HydrophobicContact CD2-CG2 3.78Å; F320-T363 HydrophobicContact CE2-CG2 4.12Å; F320-T363 HydrophobicContact CG-CG2 3.95Å; R324-T363 PolarHBondContact O-N 2.72Å; R324-T363 VanDerWaalsContact O-N 3.07Å; T325-T363 CarbonylContact C-O 3.52Å; T325-T363 VanDerWaalsContact CA-O 3.22Å; T325-T363 WeakPolarHBondContact CA-O 3.37Å; L326-T363 PolarHBondContact N-O 2.81Å; T363-V365 HydrophobicContact CG2-CG2 4.5Å; T363-R474 WeakPolarHBondContact CA-O 3.36Å; T363-K476 HydrophobicContact CG2-CG 4.06Å
364	V	98.6	Very high	94.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	126.6	173.2	-176.6	0	0	0	0	107.9	L326 F328 L351 L355 L362 V366 R474 V475 K476	L326-V364 WeakPolarHBondContact O-CA 3.36Å; F328-V364 HydrophobicContact CB-CG1 4.33Å; F328-V364 HydrophobicContact CD1-CG1 4.22Å; F328-V364 HydrophobicContact CD2-CG1 3.48Å; F328-V364 VanDerWaalsContact CD2-CG1 3.48Å; F328-V364 HydrophobicContact CE1-CG1 4.42Å; F328-V364 HydrophobicContact CE2-CG1 3.72Å; F328-V364 HydrophobicContact CE2-CG2 4.42Å; F328-V364 HydrophobicContact CG-CG1 3.75Å; F328-V364 HydrophobicContact CZ-CG1 4.19Å; F328-V364 HydrophobicContact CZ-CG2 4.49Å; L351-V364 HydrophobicContact CD2-CG2 4.49Å; L355-V364 HydrophobicContact CD1-CG2 3.98Å; L362-V364 HydrophobicContact CD2-CG2 3.62Å; V364-V366 HydrophobicContact CG1-CG2 3.79Å; V364-R474 PolarHBondContact N-O 3.18Å; V364-V475 HydrophobicContact CB-CG2 4.18Å; V364-V475 CarbonylContact O-C 3.25Å; V364-V475 WeakPolarHBondContact O-CA 3.49Å; V364-K476 PolarHBondContact O-N 3.17Å
365	V	98.8	Very high	94	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	122.9	170.6	176.3	0	0	0	0	107.6	V310 F320 T325 L326 F327 F328 T363 F367 K476 I478	V310-V365 HydrophobicContact CG2-CG1 4.35Å; F320-V365 HydrophobicContact CE2-CG2 4.39Å; T325-V365 HydrophobicContact CG2-CB 4.31Å; T325-V365 HydrophobicContact CG2-CG2 3.7Å; L326-V365 PolarHBondContact O-N 2.79Å; F327-V365 WeakPolarHBondContact CA-O 3.32Å; F327-V365 HydrophobicContact CD1-CB 3.84Å; F327-V365 HydrophobicContact CD1-CG1 4.32Å; F327-V365 HydrophobicContact CE1-CB 3.96Å; F327-V365 HydrophobicContact CE1-CG1 4.42Å; F327-V365 HydrophobicContact CE1-CG2 4.28Å; F328-V365 PolarHBondContact N-O 3.28Å; T363-V365 HydrophobicContact CG2-CG2 4.5Å; V365-F367 HydrophobicContact CG1-CD2 4.44Å; V365-F367 HydrophobicContact CG1-CE2 3.83Å; V365-F367 HydrophobicContact CG1-CZ 4.19Å; V365-K476 HydrophobicContact CG2-CB 4.11Å; V365-K476 HydrophobicContact CG2-CG 4.15Å; V365-I478 HydrophobicContact CG1-CD1 3.62Å; V365-I478 HydrophobicContact CG1-CG1 4.12Å
366	V	98.8	Very high	93.8	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	125.4	-172.5	-170.7	0	0	0	0	110.4	F328 F344 L348 V364 F368 V475 K476 I478	F328-V366 HydrophobicContact CB-CG1 4.34Å; F328-V366 HydrophobicContact CB-CG2 4.25Å; F328-V366 CarbonylContact O-C 3.53Å; F328-V366 VanDerWaalsContact O-CA 3.31Å; F328-V366 WeakPolarHBondContact O-CA 3.27Å; F344-V366 HydrophobicContact CE1-CG1 3.53Å; F344-V366 HydrophobicContact CE2-CG1 4.5Å; F344-V366 HydrophobicContact CZ-CG1 3.41Å; F344-V366 VanDerWaalsContact CZ-CG1 3.41Å; L348-V366 HydrophobicContact CD1-CB 4.18Å; L348-V366 HydrophobicContact CD1-CG1 3.87Å; L348-V366 HydrophobicContact CD1-CG2 4.01Å; L348-V366 HydrophobicContact CD2-CG2 3.71Å; L348-V366 HydrophobicContact CG-CG2 4.5Å; V364-V366 HydrophobicContact CG1-CG2 3.79Å; V366-F368 HydrophobicContact CG1-CD2 4.31Å; V366-F368 HydrophobicContact CG1-CE2 3.81Å; V366-V475 HydrophobicContact CG2-CG1 3.8Å; V366-K476 PolarHBondContact N-O 3.07Å; V366-I478 PolarHBondContact O-N 2.81Å
367	F	98.8	Very high	93.9	Very high	1 Å²	1	51.1 Å²	51.1	0%	0.004	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	131.2	177.2	-67.8	-96.1	0	0	0	111.5	I306 F309 V310 F327 F328 F329 I330 V365 I369 I478 F498	I306-F367 HydrophobicContact CG2-CE2 3.94Å; I306-F367 HydrophobicContact CG2-CZ 3.8Å; F309-F367 AromaticContact CD1-CE1 3.93Å; F309-F367 HydrophobicContact CD1-CE1 3.93Å; F309-F367 HydrophobicContact CD1-CZ 4.08Å; F309-F367 AromaticContact CE1-CE1 3.6Å; F309-F367 HydrophobicContact CE1-CE1 3.6Å; F309-F367 HydrophobicContact CE1-CZ 4.1Å; V310-F367 HydrophobicContact CG2-CZ 4.3Å; F327-F367 AromaticContact CD1-CE2 3.89Å; F327-F367 HydrophobicContact CD1-CE2 3.89Å; F327-F367 HydrophobicContact CG-CE2 4.49Å; F328-F367 PolarHBondContact O-N 3.23Å; F329-F367 CarbonylContact C-O 3.51Å; F329-F367 VanDerWaalsContact CA-O 3.23Å; F329-F367 WeakPolarHBondContact CA-O 3.48Å; F329-F367 HydrophobicContact CB-CB 3.95Å; I330-F367 PolarHBondContact N-O 3.34Å; V365-F367 HydrophobicContact CG1-CD2 4.44Å; V365-F367 HydrophobicContact CG1-CE2 3.83Å; V365-F367 HydrophobicContact CG1-CZ 4.19Å; F367-I369 HydrophobicContact CB-CD1 4.1Å; F367-I369 HydrophobicContact CB-CG1 4.46Å; F367-I478 CarbonylContact C-O 3.57Å; F367-I478 VanDerWaalsContact CA-O 3.31Å; F367-I478 WeakPolarHBondContact CA-O 3.38Å; F367-I478 HydrophobicContact CD1-CB 4.07Å; F367-I478 HydrophobicContact CD1-CD1 4.44Å; F367-I478 HydrophobicContact CD1-CG2 4.17Å; F367-I478 HydrophobicContact CE1-CB 4.25Å; F367-I478 HydrophobicContact CE1-CD1 3.82Å; F367-I478 HydrophobicContact CE1-CG2 4.22Å; F367-I478 HydrophobicContact CZ-CD1 3.91Å; F367-F498 HydrophobicContact CB-CE2 4.42Å; F367-F498 HydrophobicContact CB-CZ 3.65Å; F367-F498 AromaticContact CD1-CE2 3.98Å; F367-F498 HydrophobicContact CD1-CE2 3.98Å; F367-F498 HydrophobicContact CD1-CZ 4.06Å; F367-F498 HydrophobicContact CD2-CE2 4.07Å; F367-F498 AromaticContact CD2-CZ 3.89Å; F367-F498 HydrophobicContact CD2-CZ 3.89Å; F367-F498 HydrophobicContact CE1-CE2 4.19Å; F367-F498 HydrophobicContact CE2-CE2 4.3Å; F367-F498 AromaticContact CG-CE2 3.91Å; F367-F498 HydrophobicContact CG-CE2 3.91Å; F367-F498 AromaticContact CG-CZ 3.61Å; F367-F498 HydrophobicContact CG-CZ 3.61Å; F367-F498 HydrophobicContact CZ-CE2 4.36Å
368	F	98.7	Very high	93.9	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	107	167.2	-70.9	-105.9	0	0	0	107.9	I330 A341 F344 L345 L348 V366 I458 I477 I478 F479 H480	I330-F368 HydrophobicContact CG2-CB 4.19Å; I330-F368 HydrophobicContact CG2-CD1 3.28Å; I330-F368 HydrophobicContact CG2-CD2 4.47Å; I330-F368 HydrophobicContact CG2-CE1 3.66Å; I330-F368 HydrophobicContact CG2-CG 3.74Å; I330-F368 HydrophobicContact CG2-CZ 4.38Å; A341-F368 HydrophobicContact CB-CE1 4.37Å; F344-F368 AromaticContact CD1-CE1 3.71Å; F344-F368 HydrophobicContact CD1-CE1 3.71Å; F344-F368 HydrophobicContact CD1-CE2 4.42Å; F344-F368 AromaticContact CD1-CZ 3.55Å; F344-F368 HydrophobicContact CD1-CZ 3.55Å; F344-F368 HydrophobicContact CE1-CE1 4.24Å; F344-F368 HydrophobicContact CE1-CE2 4.27Å; F344-F368 AromaticContact CE1-CZ 3.83Å; F344-F368 HydrophobicContact CE1-CZ 3.83Å; F344-F368 HydrophobicContact CG-CZ 4.42Å; L345-F368 HydrophobicContact CD2-CE1 4.11Å; L345-F368 HydrophobicContact CD2-CE2 3.97Å; L345-F368 HydrophobicContact CD2-CZ 3.45Å; L345-F368 VanDerWaalsContact CD2-CZ 3.45Å; L345-F368 HydrophobicContact CG-CE1 3.98Å; L345-F368 HydrophobicContact CG-CZ 3.72Å; L348-F368 HydrophobicContact CD1-CE2 4.07Å; L348-F368 HydrophobicContact CD1-CZ 4Å; V366-F368 HydrophobicContact CG1-CD2 4.31Å; V366-F368 HydrophobicContact CG1-CE2 3.81Å; F368-I458 HydrophobicContact CB-CD1 4.39Å; F368-I458 HydrophobicContact CD1-CD1 3.98Å; F368-I477 HydrophobicContact CD2-CG2 3.98Å; F368-I477 HydrophobicContact CE2-CG2 3.96Å; F368-I478 PolarHBondContact N-O 3.48Å; F368-F479 HydrophobicContact CB-CB 4.48Å; F368-F479 HydrophobicContact CB-CD2 3.76Å; F368-F479 HydrophobicContact CB-CG 4.49Å; F368-F479 WeakPolarHBondContact O-CD2 3.37Å; F368-H480 CarbonylContact O-C 3.38Å; F368-H480 PolarHBondContact O-N 3.29Å
369	I	98.2	Very high	94.1	Very high	6 Å²	6	47.6 Å²	47.6	3%	0.031	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	83.3	178.5	-47.6	-56.6	0	0	0	108.4	I330 A331 G332 F367 H480 L484 F498	I330-I369 PolarHBondContact O-N 3.45Å; A331-I369 VanDerWaalsContact CA-O 3.31Å; A331-I369 WeakPolarHBondContact CA-O 3.32Å; A331-I369 HydrophobicContact CB-CB 3.99Å; G332-I369 PolarHBondContact N-O 3.4Å; G332-I369 VanDerWaalsContact N-O 3.16Å; F367-I369 HydrophobicContact CB-CD1 4.1Å; F367-I369 HydrophobicContact CB-CG1 4.46Å; I369-H480 HydrophobicContact CD1-CB 3.68Å; I369-L484 HydrophobicContact CD1-CD1 4.37Å; I369-L484 HydrophobicContact CD1-CD2 4.2Å; I369-L484 HydrophobicContact CD1-CG 4.42Å; I369-L484 HydrophobicContact CG1-CD1 4.34Å; I369-L484 HydrophobicContact CG2-CD1 4.34Å; I369-L484 HydrophobicContact CG2-CG 4.04Å; I369-F498 HydrophobicContact CD1-CE1 4.39Å; I369-F498 HydrophobicContact CD1-CZ 4.28Å; I369-F498 HydrophobicContact CG1-CE1 3.98Å; I369-F498 HydrophobicContact CG1-CZ 4.31Å
370	M	97.2	Very high	94.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.213	C	C	.	.			trans	-135.1	104.5	-176	-68.1	-170.7	176.4	0	0	110.2	I330 Y334 K339 A341 A372 I458 F479 H480 P481	I330-M370 HydrophobicContact CB-CE 4.49Å; I330-M370 HydrophobicContact CD1-CE 3.58Å; I330-M370 HydrophobicContact CG1-CE 3.66Å; I330-M370 HydrophobicContact CG2-CE 4.11Å; Y334-M370 HydrophobicContact CD2-CB 4.17Å; Y334-M370 HydrophobicContact CD2-SD 4.04Å; Y334-M370 HydrophobicContact CE2-SD 4.44Å; Y334-M370 HydrophobicContact CG-CB 4.08Å; K339-M370 HydrophobicContact CB-CE 4Å; A341-M370 HydrophobicContact CB-CE 4.16Å; A341-M370 HydrophobicContact CB-SD 4.42Å; M370-A372 PolarHBondContact O-N 3.46Å; M370-I458 HydrophobicContact SD-CD1 3.98Å; M370-F479 HydrophobicContact CB-CE2 4.25Å; M370-H480 PolarHBondContact N-O 3.42Å; M370-P481 VanDerWaalsContact O-CA 3.29Å; M370-P481 WeakPolarHBondContact O-CA 3.44Å
371	P	95.2	Very high	95.6	Very high	37 Å²	37	38.1 Å²	38.1	24%	0.24	20%	0.204	C	C	.	.			trans	-56.4	125.9	-176	-26.1	33.7	0	0	0	112.7	G332 Y334 P481 F483	G332-P371 WeakPolarHBondContact O-CD 3.24Å; Y334-P371 VanDerWaalsContact CB-O 3.31Å; Y334-P371 WeakPolarHBondContact CB-O 3.47Å; P371-P481 WeakPolarHBondContact CA-O 3.44Å; P371-F483 HydrophobicContact CB-CD2 4.35Å; P371-F483 HydrophobicContact CB-CE2 4.12Å; P371-F483 HydrophobicContact CB-CZ 4.39Å; P371-F483 HydrophobicContact CG-CD1 3.77Å; P371-F483 HydrophobicContact CG-CD2 3.81Å; P371-F483 HydrophobicContact CG-CE1 3.59Å; P371-F483 HydrophobicContact CG-CE2 3.63Å; P371-F483 HydrophobicContact CG-CG 3.89Å; P371-F483 HydrophobicContact CG-CZ 3.53Å
372	A	95.9	Very high	96	Very high	28 Å²	28	38 Å²	38	23%	0.231	20%	0.203	C	C	.	.			trans	-130.5	176.3	-178.6	0	0	0	0	0	111.6	Y334 M370 T374 M450 F479 P481	Y334-A372 HydrophobicContact CD1-CB 3.47Å; Y334-A372 VanDerWaalsContact CD1-CB 3.47Å; Y334-A372 HydrophobicContact CE1-CB 3.48Å; Y334-A372 VanDerWaalsContact CE1-CB 3.48Å; M370-A372 PolarHBondContact O-N 3.46Å; A372-T374 PolarHBondContact O-N 3.44Å; A372-M450 HydrophobicContact CB-CE 3.53Å; A372-F479 HydrophobicContact CB-CZ 4.39Å; A372-P481 HydrophobicContact CB-CB 3.69Å; A372-P481 PolarHBondContact N-O 3.45Å
373	K	95.1	Very high	95.9	Very high	151 Å²	151	42 Å²	42	66%	0.657	22%	0.22	S	C	*	.			trans	-79	112.5	174.5	-68.8	-175	-176	174.5	0	110	L451	K373-L451 HydrophobicContact CB-CB 4.31Å; K373-L451 HydrophobicContact CB-CD1 3.85Å; K373-L451 PolarHBondContact O-N 3.44Å
374	T	95.6	Very high	95.7	Very high	44 Å²	44	42 Å²	42	27%	0.27	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	160.1	-174.5	59.6	0	0	0	0	112.8	A372 H448 N449 M450 P481	A372-T374 PolarHBondContact O-N 3.44Å; T374-H448 HydrophobicContact CG2-CB 3.78Å; T374-N449 CarbonylContact C-O 3.51Å; T374-N449 WeakPolarHBondContact CA-O 3.4Å; T374-M450 HydrophobicContact CG2-SD 3.83Å; T374-P481 HydrophobicContact CG2-CB 3.79Å; T374-P481 HydrophobicContact CG2-CG 3.59Å
375	N	93.8	Very high	95.6	Very high	95 Å²	95	42.8 Å²	42.8	51%	0.508	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	87.8	169.9	-174.4	12.6	0	0	0	110.8	N449 L451	N375-N449 PolarHBondContact N-O 2.99Å; N375-N449 WeakPolarHBondContact O-CB 3.41Å; N375-N449 PolarHBondContact O-ND2 3.38Å; N375-L451 HydrophobicContact CB-CD2 4.46Å
376	N	92.3	Very high	95.3	Very high	122 Å²	122	45.7 Å²	45.7	65%	0.652	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	57.4	174.7	-178.9	-60.3	-50.5	0	0	0	114.8	N449	N376-N449 PolarHBondContact O-N 3.14Å; N376-N449 VanDerWaalsContact O-N 3.1Å
377	F	95.8	Very high	95	Very high	43 Å²	43	46.3 Å²	46.3	19%	0.189	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	149.8	171.8	-58	-66.8	0	0	0	111.4	L382 H448 N449 P489 L490	F377-L382 HydrophobicContact CB-CD1 3.9Å; F377-L382 HydrophobicContact CB-CD2 4.34Å; F377-L382 HydrophobicContact CB-CG 3.92Å; F377-L382 HydrophobicContact CD2-CD2 4.34Å; F377-L382 HydrophobicContact CG-CD2 4.49Å; F377-H448 AromaticContact CD1-CD2 3.67Å; F377-H448 AromaticContact CD1-CE1 3.67Å; F377-H448 AromaticContact CD1-NE2 3.23Å; F377-H448 WeakPolarHBondContact CD1-NE2 3.43Å; F377-H448 AromaticContact CE1-CD2 3.95Å; F377-H448 AromaticContact CE1-CE1 3.52Å; F377-H448 AromaticContact CE1-NE2 3.06Å; F377-H448 WeakPolarHBondContact CE1-NE2 3.29Å; F377-N449 PolarHBondContact O-ND2 3.29Å; F377-P489 HydrophobicContact CD2-CG 3.87Å; F377-P489 HydrophobicContact CE2-CG 3.42Å; F377-P489 VanDerWaalsContact CE2-CG 3.42Å; F377-P489 HydrophobicContact CZ-CG 4Å; F377-L490 HydrophobicContact CB-CD1 4.3Å; F377-L490 HydrophobicContact CD1-CD1 3.28Å; F377-L490 HydrophobicContact CD1-CG 3.89Å; F377-L490 HydrophobicContact CE1-CD1 3.8Å; F377-L490 HydrophobicContact CE1-CG 4.16Å; F377-L490 HydrophobicContact CG-CD1 3.95Å; F377-L490 HydrophobicContact CG-CG 4.27Å
378	N	93.9	Very high	94.8	Very high	15 Å²	15	49.4 Å²	49.4	8%	0.08	26%	0.263	C	S	.	.			trans	-74.5	148.3	170.7	70.9	29.5	0	0	0	111	E380 S381 L382 T446 T447 N449	N378-E380 PolarHBondContact O-N 2.93Å; N378-S381 PolarHBondContact O-N 2.96Å; N378-S381 WeakPolarHBondContact OD1-CA 3.47Å; N378-S381 WeakPolarHBondContact OD1-CB 3.24Å; N378-S381 PolarHBondContact OD1-N 3.05Å; N378-S381 PolarHBondContact OD1-OG 3.29Å; N378-L382 PolarHBondContact O-N 3.22Å; N378-T446 PolarHBondContact ND2-O 3.48Å; N378-T447 PolarHBondContact N-O 3.2Å; N378-N449 WeakPolarHBondContact CB-OD1 3.24Å
379	V	94.4	Very high	94.5	Very high	108 Å²	108	55.2 Å²	55.2	66%	0.655	29%	0.288	S	S	*	.	H	α-helix	trans	-62	-36.2	-175.5	178.9	0	0	0	0	111	L382 K383	V379-L382 PolarHBondContact O-N 3.3Å; V379-K383 WeakPolarHBondContact O-CB 3.34Å; V379-K383 PolarHBondContact O-N 3.17Å
380	E	92.4	Very high	94.1	Very high	61 Å²	61	60 Å²	60	29%	0.285	31%	0.31	S	S	.	.	H	α-helix	trans	-65.9	-38.8	-178.2	-71.1	-58.3	141.5	0	0	113.3	Y315 N378 G384 R439	Y315-E380 PolarHBondContact OH-OE2 3.33Å; N378-E380 PolarHBondContact O-N 2.93Å; E380-G384 PolarHBondContact O-N 3.48Å; E380-R439 IonicContact OE2-CZ 3.27Å; E380-R439 IonicContact OE2-NE 3.05Å; E380-R439 IonicContact OE2-NH2 2.64Å
381	S	94.4	Very high	93.9	Very high	1 Å²	1	63.5 Å²	63.5	1%	0.007	33%	0.328	C	S	.	.	H	α-helix	trans	-69.5	-43	177.7	-57.8	0	0	0	0	111.1	N378 G384 Q385	N378-S381 PolarHBondContact O-N 2.96Å; N378-S381 WeakPolarHBondContact OD1-CA 3.47Å; N378-S381 WeakPolarHBondContact OD1-CB 3.24Å; N378-S381 PolarHBondContact OD1-N 3.05Å; N378-S381 PolarHBondContact OD1-OG 3.29Å; S381-G384 PolarHBondContact O-N 3.06Å; S381-Q385 PolarHBondContact O-N 3.44Å; S381-Q385 VanDerWaalsContact O-N 3.14Å
382	L	95.3	Very high	93.7	Very high	71 Å²	71	68.6 Å²	68.6	37%	0.372	34%	0.343	S	S	.	.	H	α-helix	trans	-63.5	-45.3	176.3	-73.2	172.5	0	0	0	111.5	F377 N378 V379 G384 Q385 A386 P489 L490	F377-L382 HydrophobicContact CB-CD1 3.9Å; F377-L382 HydrophobicContact CB-CD2 4.34Å; F377-L382 HydrophobicContact CB-CG 3.92Å; F377-L382 HydrophobicContact CD2-CD2 4.34Å; F377-L382 HydrophobicContact CG-CD2 4.49Å; N378-L382 PolarHBondContact O-N 3.22Å; V379-L382 PolarHBondContact O-N 3.3Å; L382-G384 VanDerWaalsContact C-N 3.32Å; L382-G384 PolarHBondContact O-N 2.82Å; L382-Q385 PolarHBondContact O-N 2.67Å; L382-A386 PolarHBondContact O-N 3.42Å; L382-P489 HydrophobicContact CD2-CB 4.21Å; L382-P489 HydrophobicContact CD2-CG 4.05Å; L382-L490 HydrophobicContact CD2-CD2 3.79Å; L382-L490 HydrophobicContact CD2-CG 4.37Å; L382-L490 HydrophobicContact CG-CD2 4.19Å
383	K	93.8	Very high	93.6	Very high	98 Å²	98	71 Å²	71	43%	0.426	35%	0.352	S	S	.	.	H	α-helix	trans	-58.9	-44.3	175.7	-178.1	-177.6	174.3	-168.7	0	111.2	V379 Q385 A386 V387	V379-K383 WeakPolarHBondContact O-CB 3.34Å; V379-K383 PolarHBondContact O-N 3.17Å; K383-Q385 PolarHBondContact O-N 2.65Å; K383-A386 PolarHBondContact O-N 3.45Å; K383-V387 HydrophobicContact CG-CG2 4.3Å; K383-V387 WeakPolarHBondContact O-CB 3.49Å; K383-V387 VanDerWaalsContact O-CG2 3.31Å; K383-V387 WeakPolarHBondContact O-CG2 3.41Å; K383-V387 PolarHBondContact O-N 3.41Å
384	G	93.6	Very high	93.5	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-58.2	-44.7	177.5	0	0	0	0	0	113	G312 Y315 E380 S381 L382 V387 R388	G312-G384 CarbonylContact O-C 3.5Å; G312-G384 VanDerWaalsContact O-CA 3.23Å; G312-G384 WeakPolarHBondContact O-CA 3.37Å; Y315-G384 VanDerWaalsContact CD1-CA 3.43Å; E380-G384 PolarHBondContact O-N 3.48Å; S381-G384 PolarHBondContact O-N 3.06Å; L382-G384 VanDerWaalsContact C-N 3.32Å; L382-G384 PolarHBondContact O-N 2.82Å; G384-V387 PolarHBondContact O-N 2.79Å; G384-R388 WeakPolarHBondContact O-CB 3.2Å; G384-R388 PolarHBondContact O-N 3.06Å
385	Q	94.9	Very high	93.3	Very high	18 Å²	18	65.1 Å²	65.1	8%	0.084	33%	0.334	C	S	.	.	H	α-helix	trans	-66.9	-37.7	176.3	-64.2	-51.3	-34.1	0	0	113	F309 S381 L382 K383 R388 K389 L490	F309-Q385 PolarHBondContact O-NE2 3.12Å; S381-Q385 PolarHBondContact O-N 3.44Å; S381-Q385 VanDerWaalsContact O-N 3.14Å; L382-Q385 PolarHBondContact O-N 2.67Å; K383-Q385 PolarHBondContact O-N 2.65Å; Q385-R388 VanDerWaalsContact OE1-NE 3.15Å; Q385-K389 WeakPolarHBondContact O-CB 3.28Å; Q385-K389 PolarHBondContact O-N 3.01Å; Q385-L490 HydrophobicContact CG-CD2 3.92Å
386	A	94	Very high	93.3	Very high	60 Å²	60	64.6 Å²	64.6	50%	0.496	33%	0.328	S	S	.	.	H	α-helix	trans	-65.1	-45.2	175.6	0	0	0	0	0	112.1	L382 K383 K389 Q390	L382-A386 PolarHBondContact O-N 3.42Å; K383-A386 PolarHBondContact O-N 3.45Å; A386-K389 PolarHBondContact O-N 3.06Å; A386-Q390 WeakPolarHBondContact O-CB 3.49Å; A386-Q390 PolarHBondContact O-N 2.66Å
387	V	92.6	Very high	93.3	Very high	14 Å²	14	62.6 Å²	62.6	9%	0.085	32%	0.321	C	S	.	.	H	α-helix	trans	-61.8	-45.1	177.2	169.4	0	0	0	0	110.9	Y315 K383 G384 K389 Q390 L391 T437	Y315-V387 HydrophobicContact CD2-CG1 4.33Å; K383-V387 HydrophobicContact CG-CG2 4.3Å; K383-V387 WeakPolarHBondContact O-CB 3.49Å; K383-V387 VanDerWaalsContact O-CG2 3.31Å; K383-V387 WeakPolarHBondContact O-CG2 3.41Å; K383-V387 PolarHBondContact O-N 3.41Å; G384-V387 PolarHBondContact O-N 2.79Å; V387-K389 PolarHBondContact O-N 3.36Å; V387-Q390 PolarHBondContact O-N 3Å; V387-L391 WeakPolarHBondContact O-CB 3.47Å; V387-L391 PolarHBondContact O-N 3.11Å; V387-T437 HydrophobicContact CG1-CG2 3.89Å
388	R	92.8	Very high	93	Very high	65 Å²	65	61.2 Å²	61.2	25%	0.245	32%	0.316	C	S	.	.	H	α-helix	trans	-56.3	-50.2	174.4	178.9	-159.4	65.5	83.5	7.3	111.3	E308 R311 G384 Q385 Q390 L391 W392	E308-R388 WeakPolarHBondContact O-CD 3.43Å; E308-R388 IonicContact OE2-CZ 2.69Å; E308-R388 IonicContact OE2-NH1 3.78Å; E308-R388 PolarHBondContact OE2-NH1 3.16Å; R311-R388 HydrophobicContact CB-CG 4.37Å; G384-R388 WeakPolarHBondContact O-CB 3.2Å; G384-R388 PolarHBondContact O-N 3.06Å; Q385-R388 VanDerWaalsContact OE1-NE 3.15Å; R388-Q390 PolarHBondContact O-N 3.06Å; R388-L391 PolarHBondContact O-N 2.65Å; R388-W392 PolarHBondContact O-N 3.35Å
389	K	92.5	Very high	92.9	Very high	123 Å²	123	65.5 Å²	65.5	54%	0.535	33%	0.334	S	S	.	.	H	α-helix	trans	-60.4	-45.5	-179.6	-174.9	178.5	177.6	-178.2	0	111.4	Q385 A386 V387 L391 W392 D393	Q385-K389 WeakPolarHBondContact O-CB 3.28Å; Q385-K389 PolarHBondContact O-N 3.01Å; A386-K389 PolarHBondContact O-N 3.06Å; V387-K389 PolarHBondContact O-N 3.36Å; K389-L391 VanDerWaalsContact C-N 3.31Å; K389-L391 PolarHBondContact O-N 3.23Å; K389-W392 WeakPolarHBondContact O-CB 3.43Å; K389-W392 PolarHBondContact O-N 3.41Å; K389-D393 VanDerWaalsContact O-CG 3.23Å; K389-D393 PolarHBondContact O-N 3.1Å
390	Q	91.7	Very high	92.9	Very high	107 Å²	107	64.6 Å²	64.6	50%	0.5	32%	0.322	S	S	.	.	H	α-helix	trans	-60.2	-40.7	177	-175.5	-179.6	6.3	0	0	112.4	A386 V387 R388 T394	A386-Q390 WeakPolarHBondContact O-CB 3.49Å; A386-Q390 PolarHBondContact O-N 2.66Å; V387-Q390 PolarHBondContact O-N 3Å; R388-Q390 PolarHBondContact O-N 3.06Å; Q390-T394 WeakPolarHBondContact O-CB 3.34Å; Q390-T394 PolarHBondContact O-N 3.05Å; Q390-T394 PolarHBondContact O-OG1 3.4Å
391	L	91.6	Very high	92.7	Very high	72 Å²	72	65.5 Å²	65.5	38%	0.377	33%	0.325	S	S	.	.	H	α-helix	trans	-64.9	-42.8	176.6	-173.8	66.6	0	0	0	111.2	V387 R388 K389 T394 A395 A433 T437	V387-L391 WeakPolarHBondContact O-CB 3.47Å; V387-L391 PolarHBondContact O-N 3.11Å; R388-L391 PolarHBondContact O-N 2.65Å; K389-L391 VanDerWaalsContact C-N 3.31Å; K389-L391 PolarHBondContact O-N 3.23Å; L391-T394 PolarHBondContact O-N 2.91Å; L391-A395 WeakPolarHBondContact O-CB 3.28Å; L391-A395 PolarHBondContact O-N 3.29Å; L391-A433 HydrophobicContact CD1-CB 3.7Å; L391-T437 HydrophobicContact CD2-CG2 4.13Å
392	W	91.9	Very high	92.5	Very high	144 Å²	144	68.2 Å²	68.2	55%	0.545	34%	0.337	S	S	.	.	H	α-helix	trans	-61.1	-49.2	175.3	-179.7	-91.6	0	0	0	112.1	R388 K389 T394 A395 H396	R388-W392 PolarHBondContact O-N 3.35Å; K389-W392 WeakPolarHBondContact O-CB 3.43Å; K389-W392 PolarHBondContact O-N 3.41Å; W392-T394 VanDerWaalsContact C-N 3.28Å; W392-T394 PolarHBondContact O-N 2.87Å; W392-A395 PolarHBondContact O-N 3.07Å; W392-H396 WeakPolarHBondContact O-CB 3.21Å; W392-H396 PolarHBondContact O-N 3.18Å
393	D	93.4	Very high	92.3	Very high	78 Å²	78	66.5 Å²	66.5	42%	0.417	34%	0.337	S	S	.	.	H	α-helix	trans	-62.3	-38.1	-179.8	-65.7	-18.5	0	0	0	111.3	K389 T397	K389-D393 VanDerWaalsContact O-CG 3.23Å; K389-D393 PolarHBondContact O-N 3.1Å; D393-T397 WeakPolarHBondContact O-CB 3.4Å; D393-T397 PolarHBondContact O-N 3Å; D393-T397 PolarHBondContact O-OG1 2.76Å
394	T	92.6	Very high	92.1	Very high	19 Å²	19	68.4 Å²	68.4	12%	0.117	35%	0.345	C	S	.	.	H	α-helix	trans	-62.2	-51	173.1	-60.9	0	0	0	0	111.1	Q390 L391 W392 H396 T397 V398 I429 M430 A433	Q390-T394 WeakPolarHBondContact O-CB 3.34Å; Q390-T394 PolarHBondContact O-N 3.05Å; Q390-T394 PolarHBondContact O-OG1 3.4Å; L391-T394 PolarHBondContact O-N 2.91Å; W392-T394 VanDerWaalsContact C-N 3.28Å; W392-T394 PolarHBondContact O-N 2.87Å; T394-H396 VanDerWaalsContact C-N 3.31Å; T394-H396 PolarHBondContact O-N 3.43Å; T394-T397 PolarHBondContact O-N 2.85Å; T394-V398 WeakPolarHBondContact O-CG2 3.49Å; T394-V398 PolarHBondContact O-N 3.08Å; T394-I429 HydrophobicContact CG2-CG2 3.62Å; T394-M430 HydrophobicContact CG2-CG 4.47Å; T394-A433 HydrophobicContact CG2-CB 4.13Å
395	A	91.8	Very high	91.8	Very high	54 Å²	54	71.4 Å²	71.4	45%	0.446	36%	0.358	S	S	.	.	H	α-helix	trans	-61.5	-40.1	179.4	0	0	0	0	0	111.8	L391 W392 V398 K399	L391-A395 WeakPolarHBondContact O-CB 3.28Å; L391-A395 PolarHBondContact O-N 3.29Å; W392-A395 PolarHBondContact O-N 3.07Å; A395-V398 PolarHBondContact O-N 3.21Å; A395-K399 VanDerWaalsContact O-CB 3.26Å; A395-K399 WeakPolarHBondContact O-CB 3.35Å; A395-K399 PolarHBondContact O-N 2.97Å
396	H	93.8	Very high	91.5	Very high	83 Å²	83	72.9 Å²	72.9	38%	0.384	37%	0.366	S	S	.	.	H	α-helix	trans	-64.3	-43.9	177.6	-162.2	85.4	0	0	0	111.6	W392 T394 V398 K399 E400	W392-H396 WeakPolarHBondContact O-CB 3.21Å; W392-H396 PolarHBondContact O-N 3.18Å; T394-H396 VanDerWaalsContact C-N 3.31Å; T394-H396 PolarHBondContact O-N 3.43Å; H396-V398 PolarHBondContact O-N 2.82Å; H396-K399 PolarHBondContact CE1-NZ 3.48Å; H396-K399 VanDerWaalsContact CE1-NZ 3.29Å; H396-K399 WeakPolarHBondContact O-CB 3.23Å; H396-K399 PolarHBondContact O-N 2.81Å; H396-E400 IonicContact NE2-OE1 2.73Å; H396-E400 WeakPolarHBondContact O-CG 3.49Å; H396-E400 PolarHBondContact O-N 3.12Å
397	T	91.8	Very high	91.3	Very high	80 Å²	80	77.2 Å²	77.2	49%	0.491	37%	0.371	S	S	.	.	H	α-helix	trans	-59.7	-45.8	176.4	-57.8	0	0	0	0	111.6	D393 T394 E400 K401	D393-T397 WeakPolarHBondContact O-CB 3.4Å; D393-T397 PolarHBondContact O-N 3Å; D393-T397 PolarHBondContact O-OG1 2.76Å; T394-T397 PolarHBondContact O-N 2.85Å; T397-E400 PolarHBondContact O-N 3.24Å; T397-K401 PolarHBondContact O-N 3.31Å; T397-K401 VanDerWaalsContact O-N 3.14Å
398	V	90.9	Very high	91.1	Very high	14 Å²	14	82.3 Å²	82.3	9%	0.085	39%	0.394	C	S	.	.	H	α-helix	trans	-65.1	-42.4	177.5	174.8	0	0	0	0	110.9	T394 A395 H396 E400 K401 F402 L422 D426 M430	T394-V398 WeakPolarHBondContact O-CG2 3.49Å; T394-V398 PolarHBondContact O-N 3.08Å; A395-V398 PolarHBondContact O-N 3.21Å; H396-V398 PolarHBondContact O-N 2.82Å; V398-E400 PolarHBondContact O-N 3.49Å; V398-K401 PolarHBondContact O-N 2.86Å; V398-F402 VanDerWaalsContact O-CB 3.23Å; V398-F402 WeakPolarHBondContact O-CB 3.35Å; V398-F402 PolarHBondContact O-N 3.24Å; V398-L422 HydrophobicContact CG1-CD2 3.58Å; V398-D426 HydrophobicContact CG2-CB 4.37Å; V398-M430 HydrophobicContact CG1-CE 4.42Å; V398-M430 HydrophobicContact CG1-SD 4.24Å; V398-M430 HydrophobicContact CG2-CG 4.15Å; V398-M430 HydrophobicContact CG2-SD 4.4Å
399	K	91.9	Very high	90.8	Very high	106 Å²	106	80.7 Å²	80.7	46%	0.461	39%	0.393	S	S	.	.	H	α-helix	trans	-58.6	-44.4	176.5	-177.9	-152.3	62.3	147.3	0	111.9	A395 H396 F402 G403	A395-K399 VanDerWaalsContact O-CB 3.26Å; A395-K399 WeakPolarHBondContact O-CB 3.35Å; A395-K399 PolarHBondContact O-N 2.97Å; H396-K399 PolarHBondContact CE1-NZ 3.48Å; H396-K399 VanDerWaalsContact CE1-NZ 3.29Å; H396-K399 WeakPolarHBondContact O-CB 3.23Å; H396-K399 PolarHBondContact O-N 2.81Å; K399-F402 PolarHBondContact O-N 3.38Å; K399-G403 PolarHBondContact O-N 2.88Å
400	E	92.5	Very high	90.6	Very high	88 Å²	88	79.7 Å²	79.7	41%	0.411	39%	0.392	S	S	.	.	H	α-helix	trans	-65.5	-42.6	177.9	-69.4	-56.1	130.6	0	0	112.3	H396 T397 V398 G403 K404	H396-E400 IonicContact NE2-OE1 2.73Å; H396-E400 WeakPolarHBondContact O-CG 3.49Å; H396-E400 PolarHBondContact O-N 3.12Å; T397-E400 PolarHBondContact O-N 3.24Å; V398-E400 PolarHBondContact O-N 3.49Å; E400-G403 PolarHBondContact O-N 3.41Å; E400-K404 WeakPolarHBondContact O-CG 3.45Å; E400-K404 PolarHBondContact O-N 3.46Å; E400-K404 VanDerWaalsContact O-N 3.13Å
401	K	89.4	Confident	90.5	Very high	80 Å²	80	80.1 Å²	80.1	35%	0.348	40%	0.398	S	S	.	.	H	α-helix	trans	-62.5	-46.3	174.2	-72.8	-177.2	-179.7	-175.3	0	111.9	T397 V398 K404 K405 D426	T397-K401 PolarHBondContact O-N 3.31Å; T397-K401 VanDerWaalsContact O-N 3.14Å; V398-K401 PolarHBondContact O-N 2.86Å; K401-K404 PolarHBondContact O-N 2.97Å; K401-K405 PolarHBondContact O-N 3.49Å; K401-K405 VanDerWaalsContact O-N 3.14Å; K401-D426 WeakPolarHBondContact CD-OD1 3.41Å; K401-D426 IonicContact NZ-OD1 3.59Å; K401-D426 PolarHBondContact NZ-OD1 2.91Å
402	F	89.7	Confident	90.3	Very high	58 Å²	58	81.3 Å²	81.3	25%	0.254	41%	0.408	S	S	.	.	H	α-helix	trans	-60	-47.4	178	179.6	-86.3	0	0	0	110.8	V398 K399 K404 K405 L406 M418 I421 L422	V398-F402 VanDerWaalsContact O-CB 3.23Å; V398-F402 WeakPolarHBondContact O-CB 3.35Å; V398-F402 PolarHBondContact O-N 3.24Å; K399-F402 PolarHBondContact O-N 3.38Å; F402-K404 VanDerWaalsContact C-N 3.33Å; F402-K404 PolarHBondContact O-N 3.09Å; F402-K405 PolarHBondContact O-N 3.35Å; F402-L406 HydrophobicContact CE1-CB 4.43Å; F402-L406 HydrophobicContact CE1-CD2 3.93Å; F402-L406 VanDerWaalsContact O-CB 3.29Å; F402-L406 WeakPolarHBondContact O-CB 3.14Å; F402-L406 PolarHBondContact O-N 3.01Å; F402-M418 HydrophobicContact CE2-SD 4.1Å; F402-M418 HydrophobicContact CZ-SD 3.75Å; F402-I421 HydrophobicContact CB-CG2 4.47Å; F402-I421 HydrophobicContact CD2-CB 4.03Å; F402-I421 HydrophobicContact CD2-CG2 3.27Å; F402-I421 HydrophobicContact CE2-CB 3.92Å; F402-I421 HydrophobicContact CE2-CD1 3.76Å; F402-I421 HydrophobicContact CE2-CG1 4.47Å; F402-I421 HydrophobicContact CE2-CG2 3.56Å; F402-I421 HydrophobicContact CG-CG2 3.99Å; F402-I421 HydrophobicContact CZ-CD1 4.02Å; F402-I421 HydrophobicContact CZ-CG2 4.47Å; F402-L422 HydrophobicContact CD2-CD2 4.1Å; F402-L422 HydrophobicContact CD2-CG 4.3Å
403	G	90.4	Very high	90	Very high	35 Å²	35	77.6 Å²	77.6	36%	0.361	42%	0.415	S	S	.	.	H	α-helix	trans	-58.8	-41.5	178.7	0	0	0	0	0	113	K399 E400 Y407	K399-G403 PolarHBondContact O-N 2.88Å; E400-G403 PolarHBondContact O-N 3.41Å; G403-Y407 WeakPolarHBondContact O-CB 3.49Å; G403-Y407 PolarHBondContact O-N 3.1Å
404	K	89.8	Confident	89.4	Confident	138 Å²	138	78.9 Å²	78.9	60%	0.6	42%	0.421	S	S	*	.	H	α-helix	trans	-63.2	-51.2	175.5	-72.7	177.2	-178.3	-177.8	0	112.4	E400 K401 F402 L406 Y407 E408	E400-K404 WeakPolarHBondContact O-CG 3.45Å; E400-K404 PolarHBondContact O-N 3.46Å; E400-K404 VanDerWaalsContact O-N 3.13Å; K401-K404 PolarHBondContact O-N 2.97Å; F402-K404 VanDerWaalsContact C-N 3.33Å; F402-K404 PolarHBondContact O-N 3.09Å; K404-L406 VanDerWaalsContact C-N 3.31Å; K404-L406 PolarHBondContact O-N 3.13Å; K404-Y407 PolarHBondContact O-N 3.34Å; K404-E408 WeakPolarHBondContact O-CG 3.36Å; K404-E408 PolarHBondContact O-N 2.96Å
405	K	87.6	Confident	88.9	Confident	63 Å²	63	85.4 Å²	85.4	27%	0.274	45%	0.454	S	S	.	.	H	α-helix	trans	-62.6	-38.1	179.3	-71.4	-178.9	-176	178.8	0	112.2	K401 F402 S409 I421 D423	K401-K405 PolarHBondContact O-N 3.49Å; K401-K405 VanDerWaalsContact O-N 3.14Å; F402-K405 PolarHBondContact O-N 3.35Å; K405-S409 WeakPolarHBondContact O-CB 3.4Å; K405-S409 PolarHBondContact O-N 3.14Å; K405-S409 PolarHBondContact O-OG 3.11Å; K405-I421 HydrophobicContact CB-CG2 3.83Å; K405-I421 HydrophobicContact CD-CG2 4.09Å; K405-I421 WeakPolarHBondContact CD-O 3.37Å; K405-I421 PolarHBondContact NZ-O 3.45Å; K405-D423 IonicContact NZ-OD2 2.69Å
406	L	89.6	Confident	88.4	Confident	50 Å²	50	83.5 Å²	83.5	26%	0.262	44%	0.437	S	S	.	.	H	α-helix	trans	-62	-48.8	174.3	176.1	60.1	0	0	0	110.8	F402 K404 S409 L410 P416	F402-L406 HydrophobicContact CE1-CB 4.43Å; F402-L406 HydrophobicContact CE1-CD2 3.93Å; F402-L406 VanDerWaalsContact O-CB 3.29Å; F402-L406 WeakPolarHBondContact O-CB 3.14Å; F402-L406 PolarHBondContact O-N 3.01Å; K404-L406 VanDerWaalsContact C-N 3.31Å; K404-L406 PolarHBondContact O-N 3.13Å; L406-S409 PolarHBondContact O-N 3.3Å; L406-L410 HydrophobicContact CD1-CD1 4.05Å; L406-L410 HydrophobicContact CD1-CG 4.17Å; L406-L410 HydrophobicContact CG-CD1 4.07Å; L406-L410 VanDerWaalsContact O-CG 3.29Å; L406-L410 WeakPolarHBondContact O-CG 3.48Å; L406-L410 PolarHBondContact O-N 2.99Å; L406-P416 HydrophobicContact CD1-CG 3.5Å; L406-P416 VanDerWaalsContact CD1-CG 3.5Å
407	Y	89.6	Confident	87.8	Confident	150 Å²	150	83.6 Å²	83.6	59%	0.588	44%	0.44	S	S	*	.	H	α-helix	trans	-60.3	-46.4	178.2	178.4	-108.8	0	0	0	112.4	G403 K404 S409 L410 L411	G403-Y407 WeakPolarHBondContact O-CB 3.49Å; G403-Y407 PolarHBondContact O-N 3.1Å; K404-Y407 PolarHBondContact O-N 3.34Å; Y407-S409 VanDerWaalsContact C-N 3.33Å; Y407-S409 PolarHBondContact O-N 2.95Å; Y407-L410 PolarHBondContact O-N 3.14Å; Y407-L411 HydrophobicContact CD1-CD1 3.94Å; Y407-L411 HydrophobicContact CE1-CD1 3.43Å; Y407-L411 VanDerWaalsContact CE1-CD1 3.43Å; Y407-L411 HydrophobicContact CE1-CG 4.15Å; Y407-L411 HydrophobicContact CE2-CD1 4.44Å; Y407-L411 HydrophobicContact CE2-CD2 4.44Å; Y407-L411 HydrophobicContact CE2-CG 4.31Å; Y407-L411 WeakPolarHBondContact O-CG 3.21Å; Y407-L411 PolarHBondContact O-N 2.82Å
408	E	88.3	Confident	86.9	Confident	121 Å²	121	84.9 Å²	84.9	57%	0.565	44%	0.442	S	S	*	.	H	α-helix	trans	-59.2	-43.2	176.4	-73.5	173.2	-178.6	0	0	112	K404 L411 T412	K404-E408 WeakPolarHBondContact O-CG 3.36Å; K404-E408 PolarHBondContact O-N 2.96Å; E408-L411 WeakPolarHBondContact O-CB 3.18Å; E408-L411 PolarHBondContact O-N 2.83Å; E408-T412 PolarHBondContact O-N 2.88Å
409	S	86.3	Confident	86.1	Confident	32 Å²	32	91 Å²	91	22%	0.224	47%	0.474	C	S	.	.	H	α-helix	trans	-66	-42.8	179.1	-57.8	0	0	0	0	112	K405 L406 Y407 L411 T412 G413 N414	K405-S409 WeakPolarHBondContact O-CB 3.4Å; K405-S409 PolarHBondContact O-N 3.14Å; K405-S409 PolarHBondContact O-OG 3.11Å; L406-S409 PolarHBondContact O-N 3.3Å; Y407-S409 VanDerWaalsContact C-N 3.33Å; Y407-S409 PolarHBondContact O-N 2.95Å; S409-L411 VanDerWaalsContact C-N 3.31Å; S409-L411 PolarHBondContact O-N 3.29Å; S409-T412 PolarHBondContact O-N 3.24Å; S409-T412 VanDerWaalsContact O-N 3.11Å; S409-T412 PolarHBondContact O-OG1 3.17Å; S409-G413 PolarHBondContact O-N 3.44Å; S409-N414 CarbonylContact C-O 3.53Å; S409-N414 PolarHBondContact O-N 3.18Å; S409-N414 VanDerWaalsContact O-O 3.14Å
410	L	88.4	Confident	85.3	Confident	101 Å²	101	90.6 Å²	90.6	53%	0.529	48%	0.481	S	S	.	.	H	α-helix	trans	-62.7	-36.7	175.8	-69.7	173.5	0	0	0	112.1	L406 Y407 T412 G413	L406-L410 HydrophobicContact CD1-CD1 4.05Å; L406-L410 HydrophobicContact CD1-CG 4.17Å; L406-L410 HydrophobicContact CG-CD1 4.07Å; L406-L410 VanDerWaalsContact O-CG 3.29Å; L406-L410 WeakPolarHBondContact O-CG 3.48Å; L406-L410 PolarHBondContact O-N 2.99Å; Y407-L410 PolarHBondContact O-N 3.14Å; L410-T412 VanDerWaalsContact C-N 3.26Å; L410-T412 PolarHBondContact O-N 2.83Å; L410-G413 PolarHBondContact O-N 2.97Å
411	L	89.8	Confident	84.7	Confident	117 Å²	117	86.7 Å²	86.7	61%	0.613	46%	0.463	S	S	*	.	H	α-helix	trans	-62.5	-32.1	174.1	-77.1	176.4	0	0	0	112.8	Y407 E408 S409 G413	Y407-L411 HydrophobicContact CD1-CD1 3.94Å; Y407-L411 HydrophobicContact CE1-CD1 3.43Å; Y407-L411 VanDerWaalsContact CE1-CD1 3.43Å; Y407-L411 HydrophobicContact CE1-CG 4.15Å; Y407-L411 HydrophobicContact CE2-CD1 4.44Å; Y407-L411 HydrophobicContact CE2-CD2 4.44Å; Y407-L411 HydrophobicContact CE2-CG 4.31Å; Y407-L411 WeakPolarHBondContact O-CG 3.21Å; Y407-L411 PolarHBondContact O-N 2.82Å; E408-L411 WeakPolarHBondContact O-CB 3.18Å; E408-L411 PolarHBondContact O-N 2.83Å; S409-L411 VanDerWaalsContact C-N 3.31Å; S409-L411 PolarHBondContact O-N 3.29Å; L411-G413 PolarHBondContact O-N 2.98Å
412	T	87.6	Confident	84.4	Confident	96 Å²	96	85.4 Å²	85.4	59%	0.589	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-1.1	175.7	67.3	0	0	0	0	113.9	E408 S409 L410 N414	E408-T412 PolarHBondContact O-N 2.88Å; S409-T412 PolarHBondContact O-N 3.24Å; S409-T412 VanDerWaalsContact O-N 3.11Å; S409-T412 PolarHBondContact O-OG1 3.17Å; L410-T412 VanDerWaalsContact C-N 3.26Å; L410-T412 PolarHBondContact O-N 2.83Å; T412-N414 VanDerWaalsContact C-N 3.31Å; T412-N414 PolarHBondContact OG1-ND2 3.19Å
413	G	85.3	Confident	84.2	Confident	67 Å²	67	85.4 Å²	85.4	69%	0.691	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	11.6	-179.5	0	0	0	0	0	114.6	S409 L410 L411	S409-G413 PolarHBondContact O-N 3.44Å; L410-G413 PolarHBondContact O-N 2.97Å; L411-G413 PolarHBondContact O-N 2.98Å
414	N	81.3	Confident	84	Confident	104 Å²	104	93.1 Å²	93.1	56%	0.556	48%	0.48	S	S	*	.			trans	-106.4	141.1	178.9	-62.9	-56.4	0	0	0	110.7	S409 T412 P416	S409-N414 CarbonylContact C-O 3.53Å; S409-N414 PolarHBondContact O-N 3.18Å; S409-N414 VanDerWaalsContact O-O 3.14Å; T412-N414 VanDerWaalsContact C-N 3.31Å; T412-N414 PolarHBondContact OG1-ND2 3.19Å; N414-P416 WeakPolarHBondContact O-CD 3.36Å
415	I	82.3	Confident	83.9	Confident	156 Å²	156	91.3 Å²	91.3	80%	0.8	48%	0.477	S	S	*	.	P	Polyproline II helix	trans	-78.1	116.4	166.8	-59.6	173.8	0	0	0	107
416	P	80.3	Confident	83.8	Confident	14 Å²	14	88.4 Å²	88.4	9%	0.091	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-71	140.9	-177	26.2	-31.9	0	0	0	112.3	L406 N414 M418 I421	L406-P416 HydrophobicContact CD1-CG 3.5Å; L406-P416 VanDerWaalsContact CD1-CG 3.5Å; N414-P416 WeakPolarHBondContact O-CD 3.36Å; P416-M418 PolarHBondContact O-N 2.92Å; P416-I421 HydrophobicContact CB-CD1 3.66Å; P416-I421 HydrophobicContact CB-CG1 3.94Å; P416-I421 HydrophobicContact CG-CD1 3.77Å
417	D	81.4	Confident	83.8	Confident	85 Å²	85	89.8 Å²	89.8	46%	0.455	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-72.7	116.7	172.6	177	7.8	0	0	0	109.9	N419 T420 I421	D417-N419 PolarHBondContact O-N 3.34Å; D417-N419 PolarHBondContact OD1-N 3.45Å; D417-N419 VanDerWaalsContact OD1-N 3.07Å; D417-N419 PolarHBondContact OD1-ND2 3.18Å; D417-T420 HydrophobicContact CB-CG2 4.14Å; D417-T420 PolarHBondContact O-N 2.96Å; D417-T420 PolarHBondContact O-OG1 2.82Å; D417-I421 WeakPolarHBondContact O-CG1 3.39Å; D417-I421 PolarHBondContact O-N 2.69Å
418	M	73.2	Confident	83.8	Confident	107 Å²	107	85.8 Å²	85.8	53%	0.527	46%	0.463	S	S	.	.	H	α-helix	trans	-55.6	-27.6	-177.6	-62.8	-64.5	164	0	0	113.3	F402 P416 T420 I421	F402-M418 HydrophobicContact CE2-SD 4.1Å; F402-M418 HydrophobicContact CZ-SD 3.75Å; P416-M418 PolarHBondContact O-N 2.92Å; M418-T420 VanDerWaalsContact C-N 3.26Å; M418-T420 PolarHBondContact O-N 2.68Å; M418-I421 HydrophobicContact CE-CD1 4.5Å; M418-I421 HydrophobicContact SD-CD1 3.78Å
419	N	74.1	Confident	83.9	Confident	142 Å²	142	83.7 Å²	83.7	76%	0.759	46%	0.455	S	S	*	.	H	α-helix	trans	-73.8	-17.4	177.2	-63	-49.6	0	0	0	113.5	D417	D417-N419 PolarHBondContact O-N 3.34Å; D417-N419 PolarHBondContact OD1-N 3.45Å; D417-N419 VanDerWaalsContact OD1-N 3.07Å; D417-N419 PolarHBondContact OD1-ND2 3.18Å
420	T	74.6	Confident	84	Confident	98 Å²	98	84.7 Å²	84.7	60%	0.601	46%	0.457	S	S	*	.	H	α-helix	trans	-102.4	-18.2	-177.6	65.3	0	0	0	0	113.3	D417 M418	D417-T420 HydrophobicContact CB-CG2 4.14Å; D417-T420 PolarHBondContact O-N 2.96Å; D417-T420 PolarHBondContact O-OG1 2.82Å; M418-T420 VanDerWaalsContact C-N 3.26Å; M418-T420 PolarHBondContact O-N 2.68Å
421	I	79.9	Confident	84.1	Confident	6 Å²	6	85.9 Å²	85.9	3%	0.031	46%	0.458	C	S	.	.	H	α-helix	trans	-70.9	-39.8	-178.8	-58.2	172.6	0	0	0	111.1	F402 K405 P416 D417 M418	F402-I421 HydrophobicContact CB-CG2 4.47Å; F402-I421 HydrophobicContact CD2-CB 4.03Å; F402-I421 HydrophobicContact CD2-CG2 3.27Å; F402-I421 HydrophobicContact CE2-CB 3.92Å; F402-I421 HydrophobicContact CE2-CD1 3.76Å; F402-I421 HydrophobicContact CE2-CG1 4.47Å; F402-I421 HydrophobicContact CE2-CG2 3.56Å; F402-I421 HydrophobicContact CG-CG2 3.99Å; F402-I421 HydrophobicContact CZ-CD1 4.02Å; F402-I421 HydrophobicContact CZ-CG2 4.47Å; K405-I421 HydrophobicContact CB-CG2 3.83Å; K405-I421 HydrophobicContact CD-CG2 4.09Å; K405-I421 WeakPolarHBondContact CD-O 3.37Å; K405-I421 PolarHBondContact NZ-O 3.45Å; P416-I421 HydrophobicContact CB-CD1 3.66Å; P416-I421 HydrophobicContact CB-CG1 3.94Å; P416-I421 HydrophobicContact CG-CD1 3.77Å; D417-I421 WeakPolarHBondContact O-CG1 3.39Å; D417-I421 PolarHBondContact O-N 2.69Å; M418-I421 HydrophobicContact CE-CD1 4.5Å; M418-I421 HydrophobicContact SD-CD1 3.78Å
422	L	83.6	Confident	84.1	Confident	53 Å²	53	89.3 Å²	89.3	28%	0.277	46%	0.462	S	S	.	.	S	Bend	trans	-89.4	125.4	177.3	-65.8	173.8	0	0	0	110.3	V398 F402 M430	V398-L422 HydrophobicContact CG1-CD2 3.58Å; F402-L422 HydrophobicContact CD2-CD2 4.1Å; F402-L422 HydrophobicContact CD2-CG 4.3Å; L422-M430 HydrophobicContact CD1-CE 4.37Å
423	D	84.5	Confident	84.1	Confident	58 Å²	58	85 Å²	85	31%	0.31	44%	0.437	S	S	.	.			trans	-86.9	170.3	177.9	61.5	42.9	0	0	0	112.4	K405 D425 D426 L427	K405-D423 IonicContact NZ-OD2 2.69Å; D423-D425 PolarHBondContact O-N 2.73Å; D423-D425 PolarHBondContact OD1-N 3.13Å; D423-D425 VanDerWaalsContact OD1-N 3.15Å; D423-D426 PolarHBondContact O-N 3.5Å; D423-D426 WeakPolarHBondContact OD1-CB 3.42Å; D423-D426 PolarHBondContact OD1-N 2.94Å; D423-L427 PolarHBondContact O-N 3.21Å; D423-L427 VanDerWaalsContact O-N 3.13Å
424	R	86.1	Confident	84.2	Confident	198 Å²	198	86.4 Å²	86.4	75%	0.747	43%	0.427	S	S	*	.	H	α-helix	trans	-63.5	-29.5	-179.3	-163.8	-175.6	76.1	176.5	2.9	112.1	T428	R424-T428 WeakPolarHBondContact O-CB 3.22Å; R424-T428 PolarHBondContact O-N 3.05Å; R424-T428 PolarHBondContact O-OG1 2.88Å
425	D	87.3	Confident	84.6	Confident	99 Å²	99	88.8 Å²	88.8	53%	0.529	43%	0.43	S	S	.	.	H	α-helix	trans	-74.7	-40.8	-178.5	-67.7	-14.8	0	0	0	110.2	D423 L427 T428 I429	D423-D425 PolarHBondContact O-N 2.73Å; D423-D425 PolarHBondContact OD1-N 3.13Å; D423-D425 VanDerWaalsContact OD1-N 3.15Å; D425-L427 PolarHBondContact O-N 3.36Å; D425-T428 WeakPolarHBondContact O-CB 3.35Å; D425-T428 PolarHBondContact O-N 2.64Å; D425-T428 VanDerWaalsContact O-N 3.08Å; D425-I429 WeakPolarHBondContact O-CG1 3.4Å; D425-I429 PolarHBondContact O-N 3.2Å
426	D	87.5	Confident	84.7	Confident	2 Å²	2	83.1 Å²	83.1	1%	0.011	41%	0.406	C	S	.	.	H	α-helix	trans	-58.6	-46.6	171.7	-67	-31	0	0	0	110.8	V398 K401 D423 T428 I429 M430	V398-D426 HydrophobicContact CG2-CB 4.37Å; K401-D426 WeakPolarHBondContact CD-OD1 3.41Å; K401-D426 IonicContact NZ-OD1 3.59Å; K401-D426 PolarHBondContact NZ-OD1 2.91Å; D423-D426 PolarHBondContact O-N 3.5Å; D423-D426 WeakPolarHBondContact OD1-CB 3.42Å; D423-D426 PolarHBondContact OD1-N 2.94Å; D426-T428 VanDerWaalsContact C-N 3.28Å; D426-T428 PolarHBondContact O-N 2.88Å; D426-I429 PolarHBondContact O-N 3.29Å; D426-M430 WeakPolarHBondContact O-CB 3.34Å; D426-M430 WeakPolarHBondContact O-CG 3.45Å; D426-M430 PolarHBondContact O-N 3.47Å
427	L	87.8	Confident	85.1	Confident	79 Å²	79	84 Å²	84	41%	0.414	41%	0.411	S	S	.	.	H	α-helix	trans	-60	-37.5	173.7	-70.2	173.9	0	0	0	112.3	D423 D425 M430 K431	D423-L427 PolarHBondContact O-N 3.21Å; D423-L427 VanDerWaalsContact O-N 3.13Å; D425-L427 PolarHBondContact O-N 3.36Å; L427-M430 HydrophobicContact CD2-CE 3.85Å; L427-M430 HydrophobicContact CG-CE 4.5Å; L427-K431 WeakPolarHBondContact O-CB 3.36Å; L427-K431 VanDerWaalsContact O-CG 3.28Å; L427-K431 WeakPolarHBondContact O-CG 3.27Å; L427-K431 PolarHBondContact O-N 3.3Å
428	T	90.6	Very high	85.3	Confident	66 Å²	66	85.5 Å²	85.5	41%	0.405	42%	0.416	S	S	.	.	H	α-helix	trans	-69.2	-44	179.3	-60.5	0	0	0	0	111.3	R424 D425 D426 K431 R432	R424-T428 WeakPolarHBondContact O-CB 3.22Å; R424-T428 PolarHBondContact O-N 3.05Å; R424-T428 PolarHBondContact O-OG1 2.88Å; D425-T428 WeakPolarHBondContact O-CB 3.35Å; D425-T428 PolarHBondContact O-N 2.64Å; D425-T428 VanDerWaalsContact O-N 3.08Å; D426-T428 VanDerWaalsContact C-N 3.28Å; D426-T428 PolarHBondContact O-N 2.88Å; T428-K431 PolarHBondContact O-N 2.86Å; T428-R432 WeakPolarHBondContact O-CG 3.18Å; T428-R432 PolarHBondContact O-N 2.75Å
429	I	89.1	Confident	85.9	Confident	78 Å²	78	81.9 Å²	81.9	40%	0.4	40%	0.396	S	S	.	.	H	α-helix	trans	-66	-42.7	177.8	-61.5	166.5	0	0	0	110.1	T394 D425 D426 K431 R432 A433	T394-I429 HydrophobicContact CG2-CG2 3.62Å; D425-I429 WeakPolarHBondContact O-CG1 3.4Å; D425-I429 PolarHBondContact O-N 3.2Å; D426-I429 PolarHBondContact O-N 3.29Å; I429-K431 PolarHBondContact O-N 3.32Å; I429-R432 PolarHBondContact O-N 3.43Å; I429-A433 PolarHBondContact O-N 3.15Å
430	M	88.8	Confident	86.4	Confident	52 Å²	52	84.3 Å²	84.3	26%	0.256	40%	0.403	S	S	.	.	H	α-helix	trans	-60.4	-46	174.6	-73.7	-171	-73	0	0	112	T394 V398 L422 D426 L427 R432 A433 I434	T394-M430 HydrophobicContact CG2-CG 4.47Å; V398-M430 HydrophobicContact CG1-CE 4.42Å; V398-M430 HydrophobicContact CG1-SD 4.24Å; V398-M430 HydrophobicContact CG2-CG 4.15Å; V398-M430 HydrophobicContact CG2-SD 4.4Å; L422-M430 HydrophobicContact CD1-CE 4.37Å; D426-M430 WeakPolarHBondContact O-CB 3.34Å; D426-M430 WeakPolarHBondContact O-CG 3.45Å; D426-M430 PolarHBondContact O-N 3.47Å; L427-M430 HydrophobicContact CD2-CE 3.85Å; L427-M430 HydrophobicContact CG-CE 4.5Å; M430-R432 VanDerWaalsContact C-N 3.35Å; M430-R432 PolarHBondContact O-N 2.9Å; M430-A433 PolarHBondContact O-N 3.36Å; M430-I434 WeakPolarHBondContact O-CG1 3Å; M430-I434 PolarHBondContact O-N 3.32Å
431	K	90.6	Very high	87.3	Confident	127 Å²	127	82.2 Å²	82.2	55%	0.552	39%	0.392	S	S	*	.	H	α-helix	trans	-59.5	-43.9	175.2	-76.9	175.6	-179	-179.8	0	111.8	L427 T428 I429 A433 I434 Y435	L427-K431 WeakPolarHBondContact O-CB 3.36Å; L427-K431 VanDerWaalsContact O-CG 3.28Å; L427-K431 WeakPolarHBondContact O-CG 3.27Å; L427-K431 PolarHBondContact O-N 3.3Å; T428-K431 PolarHBondContact O-N 2.86Å; I429-K431 PolarHBondContact O-N 3.32Å; K431-A433 VanDerWaalsContact C-N 3.34Å; K431-A433 PolarHBondContact O-N 3.5Å; K431-I434 PolarHBondContact O-N 2.66Å; K431-Y435 HydrophobicContact CB-CE2 4.33Å; K431-Y435 WeakPolarHBondContact O-CD2 3.22Å; K431-Y435 PolarHBondContact O-N 2.7Å
432	R	89.7	Confident	88	Confident	188 Å²	188	85.7 Å²	85.7	71%	0.709	41%	0.41	S	S	*	.	H	α-helix	trans	-60.3	-43	176	-74.4	177.3	69.6	177.9	2	111.9	T428 I429 M430 Y435 A436	T428-R432 WeakPolarHBondContact O-CG 3.18Å; T428-R432 PolarHBondContact O-N 2.75Å; I429-R432 PolarHBondContact O-N 3.43Å; M430-R432 VanDerWaalsContact C-N 3.35Å; M430-R432 PolarHBondContact O-N 2.9Å; R432-Y435 PolarHBondContact O-N 3.39Å; R432-A436 PolarHBondContact O-N 3.1Å; R432-A436 VanDerWaalsContact O-N 3.14Å
433	A	87.6	Confident	88.7	Confident	6 Å²	6	83.2 Å²	83.2	5%	0.05	40%	0.397	C	S	.	.	H	α-helix	trans	-63.7	-41.5	176.5	0	0	0	0	0	111.5	L391 T394 I429 M430 K431 A436 T437	L391-A433 HydrophobicContact CD1-CB 3.7Å; T394-A433 HydrophobicContact CG2-CB 4.13Å; I429-A433 PolarHBondContact O-N 3.15Å; M430-A433 PolarHBondContact O-N 3.36Å; K431-A433 VanDerWaalsContact C-N 3.34Å; K431-A433 PolarHBondContact O-N 3.5Å; A433-A436 WeakPolarHBondContact O-CB 3.47Å; A433-A436 PolarHBondContact O-N 3.49Å; A433-T437 PolarHBondContact O-N 3.23Å
434	I	88.5	Confident	89.2	Confident	96 Å²	96	81.6 Å²	81.6	49%	0.492	39%	0.39	S	S	.	.	H	α-helix	trans	-61.4	-46.5	174.6	-68	164.6	0	0	0	111.1	M430 K431 A436 T437	M430-I434 WeakPolarHBondContact O-CG1 3Å; M430-I434 PolarHBondContact O-N 3.32Å; K431-I434 PolarHBondContact O-N 2.66Å; I434-A436 PolarHBondContact O-N 2.95Å; I434-T437 WeakPolarHBondContact O-CB 3.39Å; I434-T437 PolarHBondContact O-N 3.46Å; I434-T437 PolarHBondContact O-OG1 3.46Å
435	Y	88.6	Confident	89.8	Confident	154 Å²	154	73.1 Å²	73.1	60%	0.604	36%	0.36	S	S	*	.	H	α-helix	trans	-59.8	-32.7	177.8	-75.1	-61	0	0	0	112.6	K431 R432 T437 Q438	K431-Y435 HydrophobicContact CB-CE2 4.33Å; K431-Y435 WeakPolarHBondContact O-CD2 3.22Å; K431-Y435 PolarHBondContact O-N 2.7Å; R432-Y435 PolarHBondContact O-N 3.39Å; Y435-T437 PolarHBondContact O-N 3.29Å; Y435-Q438 WeakPolarHBondContact O-CB 3.32Å; Y435-Q438 PolarHBondContact O-N 3.49Å
436	A	85.9	Confident	90.3	Very high	37 Å²	37	69.1 Å²	69.1	31%	0.306	34%	0.339	S	S	.	.	H	α-helix	trans	-67.8	-19	175.2	0	0	0	0	0	113.8	R432 A433 I434 Q438	R432-A436 PolarHBondContact O-N 3.1Å; R432-A436 VanDerWaalsContact O-N 3.14Å; A433-A436 WeakPolarHBondContact O-CB 3.47Å; A433-A436 PolarHBondContact O-N 3.49Å; I434-A436 PolarHBondContact O-N 2.95Å; A436-Q438 VanDerWaalsContact C-N 3.33Å
437	T	86.7	Confident	90.8	Very high	32 Å²	32	69 Å²	69	20%	0.196	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-8.3	176.3	70.4	0	0	0	0	113.9	G316 V387 L391 A433 I434 Y435 R439	G316-T437 WeakPolarHBondContact CA-O 3.32Å; V387-T437 HydrophobicContact CG1-CG2 3.89Å; L391-T437 HydrophobicContact CD2-CG2 4.13Å; A433-T437 PolarHBondContact O-N 3.23Å; I434-T437 WeakPolarHBondContact O-CB 3.39Å; I434-T437 PolarHBondContact O-N 3.46Å; I434-T437 PolarHBondContact O-OG1 3.46Å; Y435-T437 PolarHBondContact O-N 3.29Å; T437-R439 PolarHBondContact O-N 3.49Å
438	Q	86.2	Confident	91.2	Very high	118 Å²	118	65.4 Å²	65.4	55%	0.551	32%	0.32	S	S	*	.			trans	-69.4	131.3	-179.5	-66.5	-174.3	-11.8	0	0	110.8	Y435 A436	Y435-Q438 WeakPolarHBondContact O-CB 3.32Å; Y435-Q438 PolarHBondContact O-N 3.49Å; A436-Q438 VanDerWaalsContact C-N 3.33Å
439	R	87.1	Confident	91.5	Very high	30 Å²	30	65.8 Å²	65.8	11%	0.113	32%	0.319	C	S	.	.			trans	-139.5	142.4	-177.8	-170.6	-173.1	178	168.1	-4.8	110	Y315 E380 T437 S441 L442	Y315-R439 HydrophobicContact CD2-CB 4.36Å; Y315-R439 HydrophobicContact CE2-CB 3.8Å; Y315-R439 HydrophobicContact CE2-CG 4.08Å; E380-R439 IonicContact OE2-CZ 3.27Å; E380-R439 IonicContact OE2-NE 3.05Å; E380-R439 IonicContact OE2-NH2 2.64Å; T437-R439 PolarHBondContact O-N 3.49Å; R439-S441 WeakPolarHBondContact CD-O 3.47Å; R439-S441 WeakPolarHBondContact CG-O 3.47Å; R439-S441 PolarHBondContact NE-O 2.99Å; R439-S441 PolarHBondContact NE-OG 3.28Å; R439-S441 PolarHBondContact NH2-OG 3.03Å; R439-S441 VanDerWaalsContact NH2-OG 3.11Å; R439-L442 PolarHBondContact NH2-O 3.26Å
440	H	84.3	Confident	91.9	Very high	194 Å²	194	63 Å²	63	90%	0.898	31%	0.305	S	S	*	.	S	Bend	trans	-104.1	-21	177.2	-61.1	-62.1	0	0	0	113.9
441	S	92.8	Very high	92.2	Very high	54 Å²	54	65.5 Å²	65.5	38%	0.378	32%	0.319	S	S	.	.	S	Bend	trans	-90.6	151.9	176	55.9	0	0	0	0	111.6	H317 R439	H317-S441 PolarHBondContact NE2-O 3.23Å; R439-S441 WeakPolarHBondContact CD-O 3.47Å; R439-S441 WeakPolarHBondContact CG-O 3.47Å; R439-S441 PolarHBondContact NE-O 2.99Å; R439-S441 PolarHBondContact NE-OG 3.28Å; R439-S441 PolarHBondContact NH2-OG 3.03Å; R439-S441 VanDerWaalsContact NH2-OG 3.11Å
442	L	95.3	Very high	92.3	Very high	78 Å²	78	64.4 Å²	64.4	41%	0.408	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-67.6	153.3	173	-65.6	177.1	0	0	0	111.3	R439 F468	R439-L442 PolarHBondContact NH2-O 3.26Å; L442-F468 HydrophobicContact CD1-CB 4.19Å
443	P	96.7	Very high	92.5	Very high	2 Å²	2	58.9 Å²	58.9	1%	0.013	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-51.9	128.4	171.9	-25.7	35.4	0	0	0	111.2	F314 H317 N469	F314-P443 HydrophobicContact CD1-CB 3.71Å; F314-P443 HydrophobicContact CD1-CG 3.51Å; F314-P443 HydrophobicContact CE1-CB 3.75Å; F314-P443 HydrophobicContact CE1-CG 3.91Å; F314-P443 HydrophobicContact CG-CB 4.23Å; F314-P443 HydrophobicContact CG-CG 4.2Å; F314-P443 HydrophobicContact CZ-CB 4.31Å; H317-P443 HydrophobicContact CB-CG 3.63Å; P443-N469 HydrophobicContact CB-CB 4.11Å; P443-N469 HydrophobicContact CG-CB 4.49Å; P443-N469 PolarHBondContact O-ND2 2.95Å
444	P	96.8	Very high	92.8	Very high	23 Å²	23	62 Å²	62	15%	0.149	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-68.3	144.5	-172.2	31.1	-33.1	0	0	0	110.1	H313 N469	H313-P444 PolarHBondContact NE2-O 3.21Å; P444-N469 PolarHBondContact O-ND2 2.82Å
445	V	97.5	Very high	93	Very high	21 Å²	21	64.6 Å²	64.6	13%	0.127	34%	0.335	C	S	.	.	S	Bend	trans	-71.9	-40.4	175.9	172.3	0	0	0	0	110.5	L459 V462 I477 I478 F479	V445-L459 HydrophobicContact CB-CD2 4.47Å; V445-L459 HydrophobicContact CG1-CD2 3.89Å; V445-V462 HydrophobicContact CG1-CB 4.39Å; V445-V462 HydrophobicContact CG1-CG1 3.91Å; V445-V462 HydrophobicContact CG1-CG2 4.2Å; V445-V462 HydrophobicContact CG2-CG1 3.98Å; V445-I477 HydrophobicContact CG1-CB 4.44Å; V445-I477 HydrophobicContact CG1-CG2 3.93Å; V445-I478 CarbonylContact O-C 3.57Å; V445-I478 WeakPolarHBondContact O-CA 3.43Å; V445-F479 PolarHBondContact O-N 3.46Å
446	T	97.7	Very high	93.4	Very high	14 Å²	14	57.8 Å²	57.8	9%	0.086	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-103.1	152.6	176.9	-178.8	0	0	0	0	111.8	N378 H448 L459 F479	N378-T446 PolarHBondContact ND2-O 3.48Å; T446-H448 VanDerWaalsContact CG2-O 3.3Å; T446-H448 WeakPolarHBondContact CG2-O 3.35Å; T446-H448 PolarHBondContact OG1-N 2.98Å; T446-H448 PolarHBondContact OG1-O 3.12Å; T446-L459 HydrophobicContact CG2-CD1 4.3Å; T446-L459 HydrophobicContact CG2-CD2 4.44Å; T446-F479 CarbonylContact C-O 3.56Å; T446-F479 VanDerWaalsContact CA-O 3.29Å; T446-F479 WeakPolarHBondContact CA-O 3.45Å; T446-F479 PolarHBondContact OG1-O 3.05Å
447	T	97.8	Very high	93.9	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.31	C	S	.	.	S	Bend	trans	-90.5	-12.9	174.1	55.6	0	0	0	0	114	F309 N378 I478 F479 H480 L490	F309-T447 HydrophobicContact CZ-CG2 4.12Å; N378-T447 PolarHBondContact N-O 3.2Å; T447-I478 HydrophobicContact CG2-CG2 3.96Å; T447-F479 PolarHBondContact N-O 3.42Å; T447-F479 PolarHBondContact OG1-O 2.96Å; T447-H480 PolarHBondContact OG1-ND1 3.42Å; T447-L490 HydrophobicContact CG2-CD1 4.28Å
448	H	97.4	Very high	94.4	Very high	4 Å²	4	57 Å²	57	2%	0.019	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	163.6	-174.5	-65.9	77.8	0	0	0	112.2	T374 F377 T446 H480 P481 E482	T374-H448 HydrophobicContact CG2-CB 3.78Å; F377-H448 AromaticContact CD1-CD2 3.67Å; F377-H448 AromaticContact CD1-CE1 3.67Å; F377-H448 AromaticContact CD1-NE2 3.23Å; F377-H448 WeakPolarHBondContact CD1-NE2 3.43Å; F377-H448 AromaticContact CE1-CD2 3.95Å; F377-H448 AromaticContact CE1-CE1 3.52Å; F377-H448 AromaticContact CE1-NE2 3.06Å; F377-H448 WeakPolarHBondContact CE1-NE2 3.29Å; T446-H448 VanDerWaalsContact CG2-O 3.3Å; T446-H448 WeakPolarHBondContact CG2-O 3.35Å; T446-H448 PolarHBondContact OG1-N 2.98Å; T446-H448 PolarHBondContact OG1-O 3.12Å; H448-H480 AromaticContact CE1-CE1 3.91Å; H448-P481 HydrophobicContact CB-CG 3.62Å; H448-P481 WeakPolarHBondContact ND1-CD 3.42Å; H448-P481 WeakPolarHBondContact ND1-CG 2.9Å; H448-E482 IonicContact CE1-OE2 3.78Å; H448-E482 IonicContact NE2-OE2 3.81Å; H448-E482 PolarHBondContact NE2-OE2 3.33Å; H448-E482 VanDerWaalsContact NE2-OE2 3.11Å
449	N	97.1	Very high	95	Very high	73 Å²	73	51.8 Å²	51.8	39%	0.39	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	112.4	166	-46.7	-61.3	0	0	0	108.2	T374 N375 N376 F377 N378	T374-N449 CarbonylContact C-O 3.51Å; T374-N449 WeakPolarHBondContact CA-O 3.4Å; N375-N449 PolarHBondContact N-O 2.99Å; N375-N449 WeakPolarHBondContact O-CB 3.41Å; N375-N449 PolarHBondContact O-ND2 3.38Å; N376-N449 PolarHBondContact O-N 3.14Å; N376-N449 VanDerWaalsContact O-N 3.1Å; F377-N449 PolarHBondContact O-ND2 3.29Å; N378-N449 WeakPolarHBondContact CB-OD1 3.24Å
450	M	96.8	Very high	95.5	Very high	20 Å²	20	55.8 Å²	55.8	10%	0.099	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	142.7	177.3	-57.3	-59.5	-69.2	0	0	110.1	A372 T374 D453 D456 L459 F479 P481	A372-M450 HydrophobicContact CB-CE 3.53Å; T374-M450 HydrophobicContact CG2-SD 3.83Å; M450-D453 HydrophobicContact CB-CB 3.99Å; M450-D456 HydrophobicContact CE-CB 4.47Å; M450-D456 VanDerWaalsContact CE-OD2 3.29Å; M450-D456 WeakPolarHBondContact CE-OD2 2.78Å; M450-L459 HydrophobicContact CB-CD1 4.49Å; M450-L459 HydrophobicContact CG-CD1 3.57Å; M450-F479 HydrophobicContact CE-CE1 3.67Å; M450-F479 HydrophobicContact CE-CZ 4.12Å; M450-F479 HydrophobicContact SD-CE1 3.98Å; M450-P481 HydrophobicContact CE-CB 4.21Å; M450-P481 HydrophobicContact SD-CB 3.85Å; M450-P481 HydrophobicContact SD-CG 3.62Å
451	L	94.6	Very high	96.1	Very high	105 Å²	105	47.5 Å²	47.5	55%	0.55	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-42.9	173.3	-81.6	169.4	0	0	0	111.4	K373 N375	K373-L451 HydrophobicContact CB-CB 4.31Å; K373-L451 HydrophobicContact CB-CD1 3.85Å; K373-L451 PolarHBondContact O-N 3.44Å; N375-L451 HydrophobicContact CB-CD2 4.46Å
452	D	93.4	Very high	96.3	Very high	104 Å²	104	45.1 Å²	45.1	56%	0.556	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.7	56.6	-178.2	-58.7	-50	0	0	0	111.1	S454 E455 D456	D452-S454 VanDerWaalsContact C-N 3.32Å; D452-S454 PolarHBondContact O-N 2.92Å; D452-E455 PolarHBondContact O-N 3.39Å; D452-D456 WeakPolarHBondContact O-CB 3.48Å; D452-D456 PolarHBondContact O-N 3.03Å
453	D	94.3	Very high	96.4	Very high	71 Å²	71	46 Å²	46	38%	0.38	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-36.2	-171.4	-175.4	-99.4	0	0	0	115.3	M450 L459 R463	M450-D453 HydrophobicContact CB-CB 3.99Å; D453-L459 WeakPolarHBondContact OD2-CD1 3.42Å; D453-R463 PolarHBondContact O-NH1 3.15Å; D453-R463 PolarHBondContact O-NH2 3.13Å; D453-R463 IonicContact OD1-CZ 3.51Å; D453-R463 IonicContact OD1-NH2 3.45Å; D453-R463 PolarHBondContact OD1-NH2 3.39Å; D453-R463 IonicContact OD2-NH2 3.67Å
454	S	93	Very high	96.4	Very high	72 Å²	72	52.2 Å²	52.2	50%	0.503	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-37.4	-177.9	58.6	0	0	0	0	112.9	D452	D452-S454 VanDerWaalsContact C-N 3.32Å; D452-S454 PolarHBondContact O-N 2.92Å
455	E	94.1	Very high	96.4	Very high	151 Å²	151	52.4 Å²	52.4	71%	0.706	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-8.9	-177.4	-58.6	-55.5	130.2	0	0	112.7	D452 P457	D452-E455 PolarHBondContact O-N 3.39Å; E455-P457 WeakPolarHBondContact O-CD 3.42Å
456	D	97	Very high	96.3	Very high	11 Å²	11	52.9 Å²	52.9	6%	0.059	27%	0.27	C	S	.	.			trans	-57.6	120	177.1	178.2	-93	0	0	0	110.8	Y334 M450 D452 I458 L459 F460	Y334-D456 WeakPolarHBondContact CE1-OD2 3.38Å; Y334-D456 PolarHBondContact OH-OD1 3.03Å; Y334-D456 VanDerWaalsContact OH-OD1 3.08Å; Y334-D456 PolarHBondContact OH-OD2 3.11Å; M450-D456 HydrophobicContact CE-CB 4.47Å; M450-D456 VanDerWaalsContact CE-OD2 3.29Å; M450-D456 WeakPolarHBondContact CE-OD2 2.78Å; D452-D456 WeakPolarHBondContact O-CB 3.48Å; D452-D456 PolarHBondContact O-N 3.03Å; D456-I458 VanDerWaalsContact C-N 3.33Å; D456-I458 PolarHBondContact O-N 2.91Å; D456-I458 PolarHBondContact OD1-N 3.3Å; D456-L459 HydrophobicContact CB-CB 4.18Å; D456-L459 HydrophobicContact CB-CD1 4.35Å; D456-L459 HydrophobicContact CB-CG 4.39Å; D456-L459 PolarHBondContact O-N 2.96Å; D456-L459 WeakPolarHBondContact OD1-CG 3.28Å; D456-L459 PolarHBondContact OD1-N 3.46Å; D456-F460 WeakPolarHBondContact O-CB 3.43Å; D456-F460 PolarHBondContact O-N 2.69Å
457	P	96.1	Very high	96.2	Very high	52 Å²	52	52.3 Å²	52.3	34%	0.338	27%	0.267	S	S	.	.	H	α-helix	trans	-60.9	-36.5	-172.3	-27.8	35.4	0	0	0	114.6	F336 E455 N461	F336-P457 HydrophobicContact CB-CB 4.04Å; F336-P457 HydrophobicContact CB-CG 4.47Å; F336-P457 HydrophobicContact CD1-CB 3.72Å; F336-P457 HydrophobicContact CD2-CB 3.69Å; F336-P457 HydrophobicContact CE1-CB 4.03Å; F336-P457 HydrophobicContact CE2-CB 4.03Å; F336-P457 HydrophobicContact CG-CB 3.53Å; F336-P457 HydrophobicContact CG-CG 4.45Å; F336-P457 HydrophobicContact CZ-CB 4.19Å; E455-P457 WeakPolarHBondContact O-CD 3.42Å; P457-N461 WeakPolarHBondContact O-CB 3.33Å; P457-N461 PolarHBondContact O-N 3.48Å; P457-N461 VanDerWaalsContact O-N 3.14Å; P457-N461 PolarHBondContact O-ND2 2.95Å
458	I	97.3	Very high	96.2	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-68.8	-53.7	178.2	-71	174.5	0	0	0	109.3	Y334 F336 L345 F368 M370 D456 F460 N461 V462 F479	Y334-I458 HydrophobicContact CD2-CD1 4.47Å; Y334-I458 HydrophobicContact CE2-CD1 3.6Å; Y334-I458 HydrophobicContact CE2-CG1 3.9Å; Y334-I458 WeakPolarHBondContact OH-CG1 3.5Å; Y334-I458 PolarHBondContact OH-N 3.38Å; F336-I458 HydrophobicContact CD2-CG1 3.91Å; F336-I458 HydrophobicContact CE2-CG1 3.97Å; L345-I458 HydrophobicContact CD1-CG2 4.46Å; F368-I458 HydrophobicContact CB-CD1 4.39Å; F368-I458 HydrophobicContact CD1-CD1 3.98Å; M370-I458 HydrophobicContact SD-CD1 3.98Å; D456-I458 VanDerWaalsContact C-N 3.33Å; D456-I458 PolarHBondContact O-N 2.91Å; D456-I458 PolarHBondContact OD1-N 3.3Å; I458-F460 PolarHBondContact O-N 2.82Å; I458-N461 PolarHBondContact O-N 2.83Å; I458-V462 HydrophobicContact CG2-CG2 4.44Å; I458-V462 WeakPolarHBondContact O-CG2 3.43Å; I458-V462 PolarHBondContact O-N 2.97Å; I458-F479 HydrophobicContact CB-CD1 4.42Å; I458-F479 HydrophobicContact CB-CE1 4.28Å; I458-F479 HydrophobicContact CD1-CD2 4.13Å; I458-F479 HydrophobicContact CD1-CE1 4.45Å; I458-F479 HydrophobicContact CD1-CE2 3.72Å; I458-F479 HydrophobicContact CD1-CZ 3.88Å; I458-F479 HydrophobicContact CG2-CB 4.41Å; I458-F479 HydrophobicContact CG2-CD1 4.04Å; I458-F479 HydrophobicContact CG2-CD2 4.46Å; I458-F479 HydrophobicContact CG2-CE1 4.38Å; I458-F479 HydrophobicContact CG2-CG 4.07Å
459	L	97.8	Very high	96.2	Very high	8 Å²	8	56.6 Å²	56.6	4%	0.042	29%	0.286	C	S	.	.	H	α-helix	trans	-65.3	-39.6	-177.6	-66.4	-177.9	0	0	0	112.4	V445 T446 M450 D453 D456 N461 V462 R463 F479	V445-L459 HydrophobicContact CB-CD2 4.47Å; V445-L459 HydrophobicContact CG1-CD2 3.89Å; T446-L459 HydrophobicContact CG2-CD1 4.3Å; T446-L459 HydrophobicContact CG2-CD2 4.44Å; M450-L459 HydrophobicContact CB-CD1 4.49Å; M450-L459 HydrophobicContact CG-CD1 3.57Å; D453-L459 WeakPolarHBondContact OD2-CD1 3.42Å; D456-L459 HydrophobicContact CB-CB 4.18Å; D456-L459 HydrophobicContact CB-CD1 4.35Å; D456-L459 HydrophobicContact CB-CG 4.39Å; D456-L459 PolarHBondContact O-N 2.96Å; D456-L459 WeakPolarHBondContact OD1-CG 3.28Å; D456-L459 PolarHBondContact OD1-N 3.46Å; L459-N461 VanDerWaalsContact C-N 3.34Å; L459-N461 PolarHBondContact O-N 2.94Å; L459-V462 PolarHBondContact O-N 3.04Å; L459-R463 WeakPolarHBondContact O-CG 3.41Å; L459-R463 PolarHBondContact O-N 2.79Å; L459-F479 HydrophobicContact CD2-CD1 3.98Å; L459-F479 HydrophobicContact CG-CD1 4.04Å; L459-F479 HydrophobicContact CG-CE1 4.38Å
460	F	96.9	Very high	96.1	Very high	114 Å²	114	54.6 Å²	54.6	50%	0.5	28%	0.277	S	S	.	.	H	α-helix	trans	-56.4	-48	172.6	179	-92.1	0	0	0	111.3	D456 I458 R463 R464	D456-F460 WeakPolarHBondContact O-CB 3.43Å; D456-F460 PolarHBondContact O-N 2.69Å; I458-F460 PolarHBondContact O-N 2.82Å; F460-R463 PolarHBondContact O-N 2.69Å; F460-R464 PolarHBondContact O-N 3.1Å
461	N	96.8	Very high	95.9	Very high	21 Å²	21	60 Å²	60	11%	0.112	30%	0.297	C	S	.	.	H	α-helix	trans	-69.1	-36.8	179.3	-85.7	-83.7	0	0	0	112.9	F336 L345 P457 I458 L459 R463 R464 I465	F336-N461 HydrophobicContact CZ-CB 4.31Å; F336-N461 VanDerWaalsContact CZ-ND2 3.27Å; F336-N461 WeakPolarHBondContact CZ-ND2 3.37Å; L345-N461 HydrophobicContact CD1-CB 3.66Å; P457-N461 WeakPolarHBondContact O-CB 3.33Å; P457-N461 PolarHBondContact O-N 3.48Å; P457-N461 VanDerWaalsContact O-N 3.14Å; P457-N461 PolarHBondContact O-ND2 2.95Å; I458-N461 PolarHBondContact O-N 2.83Å; L459-N461 VanDerWaalsContact C-N 3.34Å; L459-N461 PolarHBondContact O-N 2.94Å; N461-R463 VanDerWaalsContact C-N 3.3Å; N461-R463 PolarHBondContact O-N 2.78Å; N461-R464 WeakPolarHBondContact O-CB 3.39Å; N461-R464 PolarHBondContact O-N 3.43Å; N461-R464 VanDerWaalsContact O-N 3.16Å; N461-R464 PolarHBondContact OD1-NE 2.97Å; N461-R464 PolarHBondContact OD1-NH2 2.82Å; N461-I465 WeakPolarHBondContact O-CG1 3.32Å; N461-I465 PolarHBondContact O-N 3.16Å
462	V	97.6	Very high	95.9	Very high	3 Å²	3	60.5 Å²	60.5	2%	0.018	30%	0.3	C	S	.	.	H	α-helix	trans	-59.6	-42.6	173.1	173.2	0	0	0	0	111	L345 V445 I458 L459 G466 L467 I477	L345-V462 HydrophobicContact CD2-CG2 3.76Å; V445-V462 HydrophobicContact CG1-CB 4.39Å; V445-V462 HydrophobicContact CG1-CG1 3.91Å; V445-V462 HydrophobicContact CG1-CG2 4.2Å; V445-V462 HydrophobicContact CG2-CG1 3.98Å; I458-V462 HydrophobicContact CG2-CG2 4.44Å; I458-V462 WeakPolarHBondContact O-CG2 3.43Å; I458-V462 PolarHBondContact O-N 2.97Å; L459-V462 PolarHBondContact O-N 3.04Å; V462-G466 PolarHBondContact O-N 2.96Å; V462-L467 WeakPolarHBondContact CG1-O 3.45Å; V462-L467 PolarHBondContact O-N 3.29Å; V462-I477 HydrophobicContact CG1-CD1 4.44Å; V462-I477 HydrophobicContact CG2-CD1 3.9Å; V462-I477 HydrophobicContact CG2-CG2 4.25Å
463	R	97.1	Very high	96	Very high	96 Å²	96	56 Å²	56	36%	0.362	28%	0.276	S	S	.	.	H	α-helix	trans	-62.7	-42.7	173.9	-66.6	175.5	-161	109.9	6.6	111.7	D453 L459 F460 N461 G466 F468	D453-R463 PolarHBondContact O-NH1 3.15Å; D453-R463 PolarHBondContact O-NH2 3.13Å; D453-R463 IonicContact OD1-CZ 3.51Å; D453-R463 IonicContact OD1-NH2 3.45Å; D453-R463 PolarHBondContact OD1-NH2 3.39Å; D453-R463 IonicContact OD2-NH2 3.67Å; L459-R463 WeakPolarHBondContact O-CG 3.41Å; L459-R463 PolarHBondContact O-N 2.79Å; F460-R463 PolarHBondContact O-N 2.69Å; N461-R463 VanDerWaalsContact C-N 3.3Å; N461-R463 PolarHBondContact O-N 2.78Å; R463-G466 PolarHBondContact O-N 2.79Å; R463-F468 HydrophobicContact CB-CE1 4.28Å; R463-F468 HydrophobicContact CB-CZ 4.48Å; R463-F468 HydrophobicContact CG-CE1 4.09Å
464	R	97	Very high	96.1	Very high	134 Å²	134	56.2 Å²	56.2	51%	0.506	27%	0.271	S	S	.	.	H	α-helix	trans	-60.3	-45.5	178.2	-177.9	-177.3	66.4	81.4	-0.5	112.5	E346 F460 N461	E346-R464 IonicContact OE2-CZ 3.11Å; E346-R464 IonicContact OE2-NH1 3.74Å; E346-R464 PolarHBondContact OE2-NH1 3.29Å; E346-R464 IonicContact OE2-NH2 3.72Å; E346-R464 PolarHBondContact OE2-NH2 2.93Å; F460-R464 PolarHBondContact O-N 3.1Å; N461-R464 WeakPolarHBondContact O-CB 3.39Å; N461-R464 PolarHBondContact O-N 3.43Å; N461-R464 VanDerWaalsContact O-N 3.16Å; N461-R464 PolarHBondContact OD1-NE 2.97Å; N461-R464 PolarHBondContact OD1-NH2 2.82Å
465	I	96.4	Very high	96.4	Very high	26 Å²	26	52.8 Å²	52.8	13%	0.133	25%	0.247	C	C	.	.	H	α-helix	trans	-85.5	-10.6	-176.7	70.2	-173.3	0	0	0	113.5	L345 N461 L467	L345-I465 HydrophobicContact CB-CD1 4.15Å; L345-I465 HydrophobicContact CD2-CD1 4.24Å; L345-I465 WeakPolarHBondContact O-CD1 3.45Å; N461-I465 WeakPolarHBondContact O-CG1 3.32Å; N461-I465 PolarHBondContact O-N 3.16Å; I465-L467 HydrophobicContact CD1-CB 4.41Å; I465-L467 HydrophobicContact CD1-CD1 3.73Å; I465-L467 HydrophobicContact CD1-CG 4.14Å; I465-L467 HydrophobicContact CG1-CB 4.22Å; I465-L467 HydrophobicContact CG1-CD1 4.22Å; I465-L467 HydrophobicContact CG1-CG 4.05Å
466	G	96.1	Very high	96.6	Very high	31 Å²	31	45.7 Å²	45.7	32%	0.32	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	21.4	173.4	0	0	0	0	0	115.9	V462 R463 F468	V462-G466 PolarHBondContact O-N 2.96Å; R463-G466 PolarHBondContact O-N 2.79Å; G466-F468 WeakPolarHBondContact O-CD2 3.48Å; G466-F468 PolarHBondContact O-N 3.12Å
467	L	96.4	Very high	96.7	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.01	21%	0.212	C	C	.	.			trans	-89.1	76.8	179.2	-72.4	-180	0	0	0	111.8	L348 N352 V462 I465 N469 I477	L348-L467 HydrophobicContact CB-CD1 4.18Å; N352-L467 HydrophobicContact CB-CD2 3.95Å; N352-L467 VanDerWaalsContact ND2-CD2 3.33Å; N352-L467 WeakPolarHBondContact ND2-CD2 3.44Å; V462-L467 WeakPolarHBondContact CG1-O 3.45Å; V462-L467 PolarHBondContact O-N 3.29Å; I465-L467 HydrophobicContact CD1-CB 4.41Å; I465-L467 HydrophobicContact CD1-CD1 3.73Å; I465-L467 HydrophobicContact CD1-CG 4.14Å; I465-L467 HydrophobicContact CG1-CB 4.22Å; I465-L467 HydrophobicContact CG1-CD1 4.22Å; I465-L467 HydrophobicContact CG1-CG 4.05Å; L467-N469 PolarHBondContact O-N 3.47Å; L467-I477 HydrophobicContact CB-CD1 3.75Å; L467-I477 HydrophobicContact CB-CG1 4.46Å; L467-I477 HydrophobicContact CD1-CD1 3.7Å; L467-I477 HydrophobicContact CD1-CG1 4.45Å; L467-I477 HydrophobicContact CG-CD1 4.38Å
468	F	96.6	Very high	96.8	Very high	92 Å²	92	42.7 Å²	42.7	40%	0.404	20%	0.195	S	C	.	.			trans	-93.8	21.4	-174.2	-58	-64.5	0	0	0	114.9	L442 R463 G466 S470	L442-F468 HydrophobicContact CD1-CB 4.19Å; R463-F468 HydrophobicContact CB-CE1 4.28Å; R463-F468 HydrophobicContact CB-CZ 4.48Å; R463-F468 HydrophobicContact CG-CE1 4.09Å; G466-F468 WeakPolarHBondContact O-CD2 3.48Å; G466-F468 PolarHBondContact O-N 3.12Å; F468-S470 PolarHBondContact O-N 3.01Å
469	N	97.5	Very high	96.8	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.011	20%	0.195	C	C	.	.			trans	56.5	36.4	-172.6	-63.7	-32.4	0	0	0	113.1	F314 P443 P444 L467 K476 I477	F314-N469 HydrophobicContact CE1-CB 4.07Å; P443-N469 HydrophobicContact CB-CB 4.11Å; P443-N469 HydrophobicContact CG-CB 4.49Å; P443-N469 PolarHBondContact O-ND2 2.95Å; P444-N469 PolarHBondContact O-ND2 2.82Å; L467-N469 PolarHBondContact O-N 3.47Å; N469-K476 VanDerWaalsContact OD1-CA 3.23Å; N469-K476 WeakPolarHBondContact OD1-CA 3.48Å; N469-K476 WeakPolarHBondContact OD1-CB 3.27Å; N469-I477 PolarHBondContact ND2-O 3.47Å; N469-I477 PolarHBondContact OD1-N 3.13Å; N469-I477 PolarHBondContact OD1-O 3.32Å
470	S	95.8	Very high	96.9	Very high	31 Å²	31	42.5 Å²	42.5	22%	0.217	19%	0.194	C	C	.	.			trans	-67.6	163.1	176.7	79.4	0	0	0	0	110.9	F468 N472 D473 K476	F468-S470 PolarHBondContact O-N 3.01Å; S470-N472 PolarHBondContact O-N 3.18Å; S470-N472 PolarHBondContact OG-N 2.75Å; S470-D473 VanDerWaalsContact CB-OD2 3.27Å; S470-D473 WeakPolarHBondContact CB-OD2 3.36Å; S470-D473 PolarHBondContact N-OD2 3.21Å; S470-D473 PolarHBondContact O-N 3.4Å; S470-D473 PolarHBondContact OG-N 2.98Å; S470-D473 PolarHBondContact OG-OD2 3.33Å; S470-K476 PolarHBondContact O-NZ 3.28Å
471	R	93.1	Very high	96.9	Very high	134 Å²	134	37.1 Å²	37.1	51%	0.506	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-32.9	176.2	-66.5	-167.7	179.9	-145.5	-3.8	112.8	G316 D319 D473	G316-R471 PolarHBondContact O-NH2 3.37Å; D319-R471 WeakPolarHBondContact OD2-CB 3.44Å; D319-R471 WeakPolarHBondContact OD2-CD 3.48Å; D319-R471 WeakPolarHBondContact OD2-CG 3.46Å; R471-D473 VanDerWaalsContact C-N 3.35Å
472	N	92.9	Very high	96.8	Very high	116 Å²	116	40 Å²	40	62%	0.62	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-16.4	-178.4	-67.8	-17	0	0	0	113.5	R356 S470 R474	R356-N472 WeakPolarHBondContact CD-O 3.43Å; S470-N472 PolarHBondContact O-N 3.18Å; S470-N472 PolarHBondContact OG-N 2.75Å; N472-R474 PolarHBondContact O-N 3.05Å
473	D	96.1	Very high	96.5	Very high	9 Å²	9	47.3 Å²	47.3	5%	0.048	22%	0.215	C	C	.	.			trans	-74.2	126.8	178.3	-63.6	-41.9	0	0	0	110.3	N352 S470 R471 V475 K476	N352-D473 PolarHBondContact ND2-OD1 3.3Å; N352-D473 VanDerWaalsContact ND2-OD1 3.08Å; N352-D473 WeakPolarHBondContact OD1-CA 3.38Å; S470-D473 VanDerWaalsContact CB-OD2 3.27Å; S470-D473 WeakPolarHBondContact CB-OD2 3.36Å; S470-D473 PolarHBondContact N-OD2 3.21Å; S470-D473 PolarHBondContact O-N 3.4Å; S470-D473 PolarHBondContact OG-N 2.98Å; S470-D473 PolarHBondContact OG-OD2 3.33Å; R471-D473 VanDerWaalsContact C-N 3.35Å; D473-V475 WeakPolarHBondContact CB-O 3.4Å; D473-K476 HydrophobicContact CB-CD 4.48Å; D473-K476 VanDerWaalsContact O-CE 3.27Å; D473-K476 WeakPolarHBondContact O-CE 3.38Å; D473-K476 PolarHBondContact O-NZ 3.18Å
474	R	96.9	Very high	96.4	Very high	75 Å²	75	43.6 Å²	43.6	28%	0.283	20%	0.203	S	C	.	.	S	Bend	trans	-84.8	-18.5	171	-67.5	-57.4	-165.6	-149.1	-0.1	112.4	N352 L355 R356 N360 T363 V364 N472	N352-R474 PolarHBondContact OD1-N 2.95Å; L355-R474 HydrophobicContact CB-CB 3.7Å; L355-R474 HydrophobicContact CB-CG 4.06Å; L355-R474 HydrophobicContact CD1-CB 4.07Å; R356-R474 HydrophobicContact CG-CG 3.88Å; N360-R474 PolarHBondContact O-NE 3.06Å; N360-R474 VanDerWaalsContact O-NE 3.1Å; T363-R474 WeakPolarHBondContact CA-O 3.36Å; V364-R474 PolarHBondContact N-O 3.18Å; N472-R474 PolarHBondContact O-N 3.05Å
475	V	98.3	Very high	96.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	125.6	169.6	179.1	0	0	0	0	109.7	L348 L351 N352 L355 V364 V366 D473	L348-V475 HydrophobicContact CB-CG1 4.3Å; L348-V475 HydrophobicContact CD2-CG1 4.1Å; L351-V475 HydrophobicContact CB-CG2 4.41Å; L351-V475 HydrophobicContact CD2-CG2 4.06Å; L351-V475 HydrophobicContact CG-CG2 4.03Å; N352-V475 HydrophobicContact CB-CB 4.11Å; N352-V475 HydrophobicContact CB-CG2 4.03Å; N352-V475 PolarHBondContact OD1-N 3.19Å; N352-V475 VanDerWaalsContact OD1-N 3.15Å; L355-V475 HydrophobicContact CD1-CG2 4.08Å; V364-V475 HydrophobicContact CB-CG2 4.18Å; V364-V475 CarbonylContact O-C 3.25Å; V364-V475 WeakPolarHBondContact O-CA 3.49Å; V366-V475 HydrophobicContact CG2-CG1 3.8Å; D473-V475 WeakPolarHBondContact CB-O 3.4Å
476	K	98.5	Very high	95.9	Very high	3 Å²	3	40.7 Å²	40.7	1%	0.013	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	144.5	174.8	-43.8	-58.6	-166.4	-174.3	0	109.7	F314 T363 V364 V365 V366 N469 S470 D473	F314-K476 HydrophobicContact CE1-CB 3.99Å; F314-K476 HydrophobicContact CE1-CD 4.07Å; F314-K476 HydrophobicContact CE1-CG 3.89Å; F314-K476 HydrophobicContact CZ-CB 3.66Å; F314-K476 HydrophobicContact CZ-CG 4.01Å; T363-K476 HydrophobicContact CG2-CG 4.06Å; V364-K476 PolarHBondContact O-N 3.17Å; V365-K476 HydrophobicContact CG2-CB 4.11Å; V365-K476 HydrophobicContact CG2-CG 4.15Å; V366-K476 PolarHBondContact N-O 3.07Å; N469-K476 VanDerWaalsContact OD1-CA 3.23Å; N469-K476 WeakPolarHBondContact OD1-CA 3.48Å; N469-K476 WeakPolarHBondContact OD1-CB 3.27Å; S470-K476 PolarHBondContact O-NZ 3.28Å; D473-K476 HydrophobicContact CB-CD 4.48Å; D473-K476 VanDerWaalsContact O-CE 3.27Å; D473-K476 WeakPolarHBondContact O-CE 3.38Å; D473-K476 PolarHBondContact O-NZ 3.18Å
477	I	98.6	Very high	95.7	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	134.3	-178.9	-61.5	-179	0	0	0	110.1	L345 F368 V445 V462 L467 N469	L345-I477 HydrophobicContact CD2-CD1 3.91Å; F368-I477 HydrophobicContact CD2-CG2 3.98Å; F368-I477 HydrophobicContact CE2-CG2 3.96Å; V445-I477 HydrophobicContact CG1-CB 4.44Å; V445-I477 HydrophobicContact CG1-CG2 3.93Å; V462-I477 HydrophobicContact CG1-CD1 4.44Å; V462-I477 HydrophobicContact CG2-CD1 3.9Å; V462-I477 HydrophobicContact CG2-CG2 4.25Å; L467-I477 HydrophobicContact CB-CD1 3.75Å; L467-I477 HydrophobicContact CB-CG1 4.46Å; L467-I477 HydrophobicContact CD1-CD1 3.7Å; L467-I477 HydrophobicContact CD1-CG1 4.45Å; L467-I477 HydrophobicContact CG-CD1 4.38Å; N469-I477 PolarHBondContact ND2-O 3.47Å; N469-I477 PolarHBondContact OD1-N 3.13Å; N469-I477 PolarHBondContact OD1-O 3.32Å
478	I	98.7	Very high	95.5	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	107.8	172.3	-51.9	-179.7	0	0	0	108.4	F309 F314 V365 V366 F367 F368 V445 T447	F309-I478 HydrophobicContact CE1-CD1 3.68Å; F309-I478 HydrophobicContact CE1-CG2 4.17Å; F309-I478 HydrophobicContact CZ-CD1 4.48Å; F309-I478 HydrophobicContact CZ-CG2 4.18Å; F314-I478 HydrophobicContact CE2-CD1 3.86Å; F314-I478 HydrophobicContact CE2-CG1 4.32Å; V365-I478 HydrophobicContact CG1-CD1 3.62Å; V365-I478 HydrophobicContact CG1-CG1 4.12Å; V366-I478 PolarHBondContact O-N 2.81Å; F367-I478 CarbonylContact C-O 3.57Å; F367-I478 VanDerWaalsContact CA-O 3.31Å; F367-I478 WeakPolarHBondContact CA-O 3.38Å; F367-I478 HydrophobicContact CD1-CB 4.07Å; F367-I478 HydrophobicContact CD1-CD1 4.44Å; F367-I478 HydrophobicContact CD1-CG2 4.17Å; F367-I478 HydrophobicContact CE1-CB 4.25Å; F367-I478 HydrophobicContact CE1-CD1 3.82Å; F367-I478 HydrophobicContact CE1-CG2 4.22Å; F367-I478 HydrophobicContact CZ-CD1 3.91Å; F368-I478 PolarHBondContact N-O 3.48Å; V445-I478 CarbonylContact O-C 3.57Å; V445-I478 WeakPolarHBondContact O-CA 3.43Å; T447-I478 HydrophobicContact CG2-CG2 3.96Å
479	F	98.6	Very high	95.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	115.9	170.5	-177.8	-153.5	0	0	0	109.7	Y334 F368 M370 A372 V445 T446 T447 M450 I458 L459 P481	Y334-F479 AromaticContact CE1-CZ 3.84Å; Y334-F479 HydrophobicContact CE1-CZ 3.84Å; Y334-F479 AromaticContact CZ-CZ 3.95Å; F368-F479 HydrophobicContact CB-CB 4.48Å; F368-F479 HydrophobicContact CB-CD2 3.76Å; F368-F479 HydrophobicContact CB-CG 4.49Å; F368-F479 WeakPolarHBondContact O-CD2 3.37Å; M370-F479 HydrophobicContact CB-CE2 4.25Å; A372-F479 HydrophobicContact CB-CZ 4.39Å; V445-F479 PolarHBondContact O-N 3.46Å; T446-F479 CarbonylContact C-O 3.56Å; T446-F479 VanDerWaalsContact CA-O 3.29Å; T446-F479 WeakPolarHBondContact CA-O 3.45Å; T446-F479 PolarHBondContact OG1-O 3.05Å; T447-F479 PolarHBondContact N-O 3.42Å; T447-F479 PolarHBondContact OG1-O 2.96Å; M450-F479 HydrophobicContact CE-CE1 3.67Å; M450-F479 HydrophobicContact CE-CZ 4.12Å; M450-F479 HydrophobicContact SD-CE1 3.98Å; I458-F479 HydrophobicContact CB-CD1 4.42Å; I458-F479 HydrophobicContact CB-CE1 4.28Å; I458-F479 HydrophobicContact CD1-CD2 4.13Å; I458-F479 HydrophobicContact CD1-CE1 4.45Å; I458-F479 HydrophobicContact CD1-CE2 3.72Å; I458-F479 HydrophobicContact CD1-CZ 3.88Å; I458-F479 HydrophobicContact CG2-CB 4.41Å; I458-F479 HydrophobicContact CG2-CD1 4.04Å; I458-F479 HydrophobicContact CG2-CD2 4.46Å; I458-F479 HydrophobicContact CG2-CE1 4.38Å; I458-F479 HydrophobicContact CG2-CG 4.07Å; L459-F479 HydrophobicContact CD2-CD1 3.98Å; L459-F479 HydrophobicContact CG-CD1 4.04Å; L459-F479 HydrophobicContact CG-CE1 4.38Å; F479-P481 HydrophobicContact CD2-CB 4.45Å; F479-P481 HydrophobicContact CE1-CB 4.12Å; F479-P481 HydrophobicContact CE2-CB 3.83Å; F479-P481 HydrophobicContact CZ-CB 3.66Å; F479-P481 VanDerWaalsContact O-CD 3.23Å; F479-P481 WeakPolarHBondContact O-CD 3.3Å
480	H	98.1	Very high	95.1	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.019	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	89.1	175.4	-170.8	90.3	0	0	0	109	F368 I369 M370 T447 H448 E482	F368-H480 CarbonylContact O-C 3.38Å; F368-H480 PolarHBondContact O-N 3.29Å; I369-H480 HydrophobicContact CD1-CB 3.68Å; M370-H480 PolarHBondContact N-O 3.42Å; T447-H480 PolarHBondContact OG1-ND1 3.42Å; H448-H480 AromaticContact CE1-CE1 3.91Å; H480-E482 PolarHBondContact CD2-O 3.45Å; H480-E482 VanDerWaalsContact CD2-O 3.27Å; H480-E482 PolarHBondContact O-N 3.2Å
481	P	97.1	Very high	95	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	22%	0.224	C	C	.	.			trans	-76.3	34.5	-174.2	31.3	-40.3	0	0	0	115.1	M370 P371 A372 T374 H448 M450 F479	M370-P481 VanDerWaalsContact O-CA 3.29Å; M370-P481 WeakPolarHBondContact O-CA 3.44Å; P371-P481 WeakPolarHBondContact CA-O 3.44Å; A372-P481 HydrophobicContact CB-CB 3.69Å; A372-P481 PolarHBondContact N-O 3.45Å; T374-P481 HydrophobicContact CG2-CB 3.79Å; T374-P481 HydrophobicContact CG2-CG 3.59Å; H448-P481 HydrophobicContact CB-CG 3.62Å; H448-P481 WeakPolarHBondContact ND1-CD 3.42Å; H448-P481 WeakPolarHBondContact ND1-CG 2.9Å; M450-P481 HydrophobicContact CE-CB 4.21Å; M450-P481 HydrophobicContact SD-CB 3.85Å; M450-P481 HydrophobicContact SD-CG 3.62Å; F479-P481 HydrophobicContact CD2-CB 4.45Å; F479-P481 HydrophobicContact CE1-CB 4.12Å; F479-P481 HydrophobicContact CE2-CB 3.83Å; F479-P481 HydrophobicContact CZ-CB 3.66Å; F479-P481 VanDerWaalsContact O-CD 3.23Å; F479-P481 WeakPolarHBondContact O-CD 3.3Å
482	E	94.9	Very high	95.1	Very high	82 Å²	82	40.2 Å²	40.2	38%	0.383	22%	0.221	S	C	.	.	S	Bend	trans	-139.9	161.2	179.7	-163.2	179.8	-170.7	0	0	109.8	H448 H480	H448-E482 IonicContact CE1-OE2 3.78Å; H448-E482 IonicContact NE2-OE2 3.81Å; H448-E482 PolarHBondContact NE2-OE2 3.33Å; H448-E482 VanDerWaalsContact NE2-OE2 3.11Å; H480-E482 PolarHBondContact CD2-O 3.45Å; H480-E482 VanDerWaalsContact CD2-O 3.27Å; H480-E482 PolarHBondContact O-N 3.2Å
483	F	92.6	Very high	95.2	Very high	155 Å²	155	34.8 Å²	34.8	68%	0.68	19%	0.191	S	C	*	.			trans	-68.4	141	166.8	-70.9	-69.9	0	0	0	110.4	P371	P371-F483 HydrophobicContact CB-CD2 4.35Å; P371-F483 HydrophobicContact CB-CE2 4.12Å; P371-F483 HydrophobicContact CB-CZ 4.39Å; P371-F483 HydrophobicContact CG-CD1 3.77Å; P371-F483 HydrophobicContact CG-CD2 3.81Å; P371-F483 HydrophobicContact CG-CE1 3.59Å; P371-F483 HydrophobicContact CG-CE2 3.63Å; P371-F483 HydrophobicContact CG-CG 3.89Å; P371-F483 HydrophobicContact CG-CZ 3.53Å
484	L	94.1	Very high	95.1	Very high	19 Å²	19	37.9 Å²	37.9	10%	0.099	21%	0.208	C	C	.	.			trans	-68.1	138.9	174.8	-65.3	174.8	0	0	0	110.6	I369 L491 Y495 F498	I369-L484 HydrophobicContact CD1-CD1 4.37Å; I369-L484 HydrophobicContact CD1-CD2 4.2Å; I369-L484 HydrophobicContact CD1-CG 4.42Å; I369-L484 HydrophobicContact CG1-CD1 4.34Å; I369-L484 HydrophobicContact CG2-CD1 4.34Å; I369-L484 HydrophobicContact CG2-CG 4.04Å; L484-L491 HydrophobicContact CD2-CD2 3.78Å; L484-L491 HydrophobicContact CD2-CG 4.47Å; L484-Y495 HydrophobicContact CD1-CD2 4.46Å; L484-F498 HydrophobicContact CD1-CB 3.48Å; L484-F498 VanDerWaalsContact CD1-CB 3.48Å; L484-F498 HydrophobicContact CD1-CD1 3.45Å; L484-F498 VanDerWaalsContact CD1-CD1 3.45Å; L484-F498 HydrophobicContact CD1-CD2 4.07Å; L484-F498 HydrophobicContact CD1-CE1 4.2Å; L484-F498 HydrophobicContact CD1-CG 3.37Å
485	S	92.1	Very high	94.9	Very high	40 Å²	40	37 Å²	37	28%	0.28	21%	0.205	S	C	.	.	B	Isolated β-bridge	trans	-145.3	137.4	179.5	176	0	0	0	0	110.1	T487 S488 M493	S485-T487 PolarHBondContact O-N 3.24Å; S485-T487 VanDerWaalsContact O-N 3.08Å; S485-T487 PolarHBondContact OG-N 3.2Å; S485-T487 PolarHBondContact OG-OG1 3.04Å; S485-S488 VanDerWaalsContact O-CB 3.28Å; S485-S488 WeakPolarHBondContact O-CB 3.42Å; S485-S488 PolarHBondContact O-N 3.49Å; S485-M493 CarbonylContact C-O 3.46Å; S485-M493 VanDerWaalsContact C-O 3.23Å; S485-M493 PolarHBondContact N-O 3.45Å; S485-M493 PolarHBondContact O-N 3.19Å
486	S	91.3	Very high	94.6	Very high	59 Å²	59	42.2 Å²	42.2	41%	0.413	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-21.3	170.2	48.5	0	0	0	0	113.9	P492 D494	S486-P492 WeakPolarHBondContact O-CB 3.25Å; S486-D494 VanDerWaalsContact CB-OD1 3.25Å; S486-D494 WeakPolarHBondContact CB-OD1 3.29Å; S486-D494 PolarHBondContact N-OD1 3.48Å; S486-D494 PolarHBondContact OG-OD1 3.31Å
487	T	92.3	Very high	94.4	Very high	123 Å²	123	43.9 Å²	43.9	76%	0.755	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-3.8	177.1	62.3	0	0	0	0	114.3	S485	S485-T487 PolarHBondContact O-N 3.24Å; S485-T487 VanDerWaalsContact O-N 3.08Å; S485-T487 PolarHBondContact OG-N 3.2Å; S485-T487 PolarHBondContact OG-OG1 3.04Å
488	S	92.5	Very high	94.4	Very high	11 Å²	11	43.9 Å²	43.9	8%	0.077	24%	0.238	C	C	.	.			trans	-64.3	133	-179.5	-178.7	0	0	0	0	111.4	S485 L490 P492	S485-S488 VanDerWaalsContact O-CB 3.28Å; S485-S488 WeakPolarHBondContact O-CB 3.42Å; S485-S488 PolarHBondContact O-N 3.49Å; S488-L490 PolarHBondContact O-N 3.33Å; S488-L490 PolarHBondContact OG-N 3.25Å; S488-P492 WeakPolarHBondContact O-CA 3.27Å; S488-P492 WeakPolarHBondContact O-CB 3.45Å
489	P	92.5	Very high	94.3	Very high	78 Å²	78	43.9 Å²	43.9	51%	0.506	24%	0.238	S	C	.	.	S	Bend	trans	-72	-16.2	177.5	30.3	-36	0	0	0	113.3	F377 L382	F377-P489 HydrophobicContact CD2-CG 3.87Å; F377-P489 HydrophobicContact CE2-CG 3.42Å; F377-P489 VanDerWaalsContact CE2-CG 3.42Å; F377-P489 HydrophobicContact CZ-CG 4Å; L382-P489 HydrophobicContact CD2-CB 4.21Å; L382-P489 HydrophobicContact CD2-CG 4.05Å
490	L	92.9	Very high	94.2	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.016	25%	0.245	C	C	.	.	S	Bend	trans	-91.4	-59.4	-179.8	-67	-175	0	0	0	111.7	F309 F377 L382 Q385 T447 S488	F309-L490 WeakPolarHBondContact CD2-O 3.3Å; F309-L490 HydrophobicContact CE2-CB 4.24Å; F377-L490 HydrophobicContact CB-CD1 4.3Å; F377-L490 HydrophobicContact CD1-CD1 3.28Å; F377-L490 HydrophobicContact CD1-CG 3.89Å; F377-L490 HydrophobicContact CE1-CD1 3.8Å; F377-L490 HydrophobicContact CE1-CG 4.16Å; F377-L490 HydrophobicContact CG-CD1 3.95Å; F377-L490 HydrophobicContact CG-CG 4.27Å; L382-L490 HydrophobicContact CD2-CD2 3.79Å; L382-L490 HydrophobicContact CD2-CG 4.37Å; L382-L490 HydrophobicContact CG-CD2 4.19Å; Q385-L490 HydrophobicContact CG-CD2 3.92Å; T447-L490 HydrophobicContact CG2-CD1 4.28Å; S488-L490 PolarHBondContact O-N 3.33Å; S488-L490 PolarHBondContact OG-N 3.25Å
491	L	93.9	Very high	94.2	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.01	24%	0.244	C	C	.	.			trans	-127.9	84.3	-176.8	-179.2	60	0	0	0	108.1	F309 L484 M493 F498	F309-L491 HydrophobicContact CB-CD1 3.76Å; F309-L491 HydrophobicContact CD2-CB 4.13Å; F309-L491 HydrophobicContact CG-CB 4.44Å; F309-L491 HydrophobicContact CG-CD1 4.04Å; L484-L491 HydrophobicContact CD2-CD2 3.78Å; L484-L491 HydrophobicContact CD2-CG 4.47Å; L491-M493 HydrophobicContact CD1-CG 3.98Å; L491-M493 HydrophobicContact CD1-SD 3.7Å; L491-M493 HydrophobicContact CG-CB 4.46Å; L491-M493 HydrophobicContact CG-CG 4.34Å; L491-M493 HydrophobicContact CG-SD 4.49Å; L491-M493 PolarHBondContact O-N 3.27Å; L491-F498 HydrophobicContact CD2-CD2 3.92Å; L491-F498 HydrophobicContact CD2-CE2 4.18Å
492	P	93.9	Very high	94.2	Very high	65 Å²	65	45.5 Å²	45.5	42%	0.422	24%	0.244	S	C	.	.	B	Isolated β-bridge	trans	-76.1	72.2	-175	30.8	-35.3	0	0	0	110.1	R305 S486 S488	R305-P492 PolarHBondContact NH2-O 3.04Å; S486-P492 WeakPolarHBondContact O-CB 3.25Å; S488-P492 WeakPolarHBondContact O-CA 3.27Å; S488-P492 WeakPolarHBondContact O-CB 3.45Å
493	M	95.1	Very high	94.4	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	23%	0.227	C	C	.	.			trans	-144.2	139.8	-178.9	-57.7	-173.5	63.9	0	0	109.2	N302 R305 I306 S485 L491 D497	N302-M493 HydrophobicContact CB-CE 3.78Å; R305-M493 HydrophobicContact CB-CE 3.96Å; R305-M493 HydrophobicContact CB-CG 4.39Å; R305-M493 HydrophobicContact CB-SD 3.49Å; R305-M493 WeakPolarHBondContact CB-SD 3.37Å; I306-M493 HydrophobicContact CG1-CE 4.35Å; I306-M493 HydrophobicContact CG1-SD 3.93Å; S485-M493 CarbonylContact C-O 3.46Å; S485-M493 VanDerWaalsContact C-O 3.23Å; S485-M493 PolarHBondContact N-O 3.45Å; S485-M493 PolarHBondContact O-N 3.19Å; L491-M493 HydrophobicContact CD1-CG 3.98Å; L491-M493 HydrophobicContact CD1-SD 3.7Å; L491-M493 HydrophobicContact CG-CB 4.46Å; L491-M493 HydrophobicContact CG-CG 4.34Å; L491-M493 HydrophobicContact CG-SD 4.49Å; L491-M493 PolarHBondContact O-N 3.27Å; M493-D497 HydrophobicContact CB-CB 4.4Å; M493-D497 HydrophobicContact CE-CB 3.77Å
494	D	93.8	Very high	94.7	Very high	75 Å²	75	34.4 Å²	34.4	40%	0.401	20%	0.195	S	C	.	.			trans	-75.8	162.6	167.8	-60.5	-41.3	0	0	0	110.1	S486 E496 D497 F498	S486-D494 VanDerWaalsContact CB-OD1 3.25Å; S486-D494 WeakPolarHBondContact CB-OD1 3.29Å; S486-D494 PolarHBondContact N-OD1 3.48Å; S486-D494 PolarHBondContact OG-OD1 3.31Å; D494-E496 PolarHBondContact O-N 2.67Å; D494-D497 PolarHBondContact O-N 3.38Å; D494-F498 PolarHBondContact O-N 3.23Å
495	Y	93.3	Very high	94.9	Very high	57 Å²	57	33.5 Å²	33.5	22%	0.224	19%	0.19	C	C	.	.	H	α-helix	trans	-56.1	-44.6	-175.6	168.2	-99.8	0	0	0	113.2	A331 L484 D497 F498 V499 T517 E520	A331-Y495 HydrophobicContact CB-CE2 3.88Å; L484-Y495 HydrophobicContact CD1-CD2 4.46Å; Y495-D497 PolarHBondContact O-N 2.97Å; Y495-F498 WeakPolarHBondContact O-CB 3.35Å; Y495-F498 PolarHBondContact O-N 2.88Å; Y495-V499 HydrophobicContact CD1-CG2 4.43Å; Y495-V499 HydrophobicContact CD2-CG2 4.13Å; Y495-V499 HydrophobicContact CE1-CG2 4.01Å; Y495-V499 HydrophobicContact CE2-CG2 3.67Å; Y495-V499 HydrophobicContact CG-CG2 4.5Å; Y495-V499 WeakPolarHBondContact O-CG2 3.09Å; Y495-V499 PolarHBondContact O-N 3.05Å; Y495-T517 VanDerWaalsContact OH-CG2 3.25Å; Y495-T517 WeakPolarHBondContact OH-CG2 3.41Å; Y495-E520 WeakPolarHBondContact CE1-OE2 3.37Å; Y495-E520 PolarHBondContact OH-OE2 3.41Å
496	E	92.3	Very high	95.2	Very high	109 Å²	109	31.6 Å²	31.6	51%	0.509	18%	0.176	S	C	.	.	H	α-helix	trans	-62.3	-41.9	179.2	-60.8	-173	-169.8	0	0	112.7	D494 F498 V499 R500 M524	D494-E496 PolarHBondContact O-N 2.67Å; E496-F498 VanDerWaalsContact C-N 3.3Å; E496-F498 PolarHBondContact O-N 3.26Å; E496-V499 PolarHBondContact O-N 2.92Å; E496-R500 VanDerWaalsContact CB-NH1 3.34Å; E496-R500 WeakPolarHBondContact O-CG 3.35Å; E496-R500 PolarHBondContact O-N 2.95Å; E496-R500 IonicContact OE2-CZ 2.81Å; E496-R500 IonicContact OE2-NH1 3.99Å; E496-R500 PolarHBondContact OE2-NH1 2.87Å; E496-R500 IonicContact OE2-NH2 3.43Å; E496-R500 PolarHBondContact OE2-NH2 3.12Å; E496-R500 VanDerWaalsContact OE2-NH2 3.11Å; E496-M524 HydrophobicContact CB-SD 4.06Å
497	D	95.1	Very high	95.6	Very high	38 Å²	38	29 Å²	29	20%	0.203	16%	0.158	C	C	.	.	H	α-helix	trans	-62.2	-42.6	177.6	-84.8	-11.1	0	0	0	111	N302 R305 M493 D494 Y495 R500 G501	N302-D497 WeakPolarHBondContact CB-O 3.36Å; N302-D497 WeakPolarHBondContact ND2-CA 3.42Å; N302-D497 PolarHBondContact ND2-O 2.89Å; N302-D497 PolarHBondContact ND2-OD1 3.19Å; R305-D497 IonicContact CZ-OD2 3.53Å; R305-D497 IonicContact NH1-OD2 3.11Å; R305-D497 PolarHBondContact NH1-OD2 3.37Å; R305-D497 IonicContact NH2-OD2 3.5Å; M493-D497 HydrophobicContact CB-CB 4.4Å; M493-D497 HydrophobicContact CE-CB 3.77Å; D494-D497 PolarHBondContact O-N 3.38Å; Y495-D497 PolarHBondContact O-N 2.97Å; D497-R500 PolarHBondContact O-N 3.5Å; D497-G501 PolarHBondContact O-N 3.21Å
498	F	98	Very high	95.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62	-46.4	176.6	171.3	-97.3	0	0	0	111.9	I306 F329 F367 I369 L484 L491 D494 Y495 E496 R500 G501 C502	I306-F498 HydrophobicContact CD1-CD2 3.85Å; I306-F498 HydrophobicContact CD1-CE2 4.09Å; I306-F498 HydrophobicContact CG1-CD2 4.16Å; I306-F498 HydrophobicContact CG1-CE2 4.49Å; F329-F498 HydrophobicContact CB-CE1 3.83Å; F329-F498 HydrophobicContact CB-CZ 3.99Å; F329-F498 HydrophobicContact CD1-CE1 4.47Å; F329-F498 AromaticContact CD2-CE1 3.92Å; F329-F498 HydrophobicContact CD2-CE1 3.92Å; F329-F498 AromaticContact CG-CE1 3.82Å; F329-F498 HydrophobicContact CG-CE1 3.82Å; F329-F498 HydrophobicContact CG-CZ 4.42Å; F367-F498 HydrophobicContact CB-CE2 4.42Å; F367-F498 HydrophobicContact CB-CZ 3.65Å; F367-F498 AromaticContact CD1-CE2 3.98Å; F367-F498 HydrophobicContact CD1-CE2 3.98Å; F367-F498 HydrophobicContact CD1-CZ 4.06Å; F367-F498 HydrophobicContact CD2-CE2 4.07Å; F367-F498 AromaticContact CD2-CZ 3.89Å; F367-F498 HydrophobicContact CD2-CZ 3.89Å; F367-F498 HydrophobicContact CE1-CE2 4.19Å; F367-F498 HydrophobicContact CE2-CE2 4.3Å; F367-F498 AromaticContact CG-CE2 3.91Å; F367-F498 HydrophobicContact CG-CE2 3.91Å; F367-F498 AromaticContact CG-CZ 3.61Å; F367-F498 HydrophobicContact CG-CZ 3.61Å; F367-F498 HydrophobicContact CZ-CE2 4.36Å; I369-F498 HydrophobicContact CD1-CE1 4.39Å; I369-F498 HydrophobicContact CD1-CZ 4.28Å; I369-F498 HydrophobicContact CG1-CE1 3.98Å; I369-F498 HydrophobicContact CG1-CZ 4.31Å; L484-F498 HydrophobicContact CD1-CB 3.48Å; L484-F498 VanDerWaalsContact CD1-CB 3.48Å; L484-F498 HydrophobicContact CD1-CD1 3.45Å; L484-F498 VanDerWaalsContact CD1-CD1 3.45Å; L484-F498 HydrophobicContact CD1-CD2 4.07Å; L484-F498 HydrophobicContact CD1-CE1 4.2Å; L484-F498 HydrophobicContact CD1-CG 3.37Å; L491-F498 HydrophobicContact CD2-CD2 3.92Å; L491-F498 HydrophobicContact CD2-CE2 4.18Å; D494-F498 PolarHBondContact O-N 3.23Å; Y495-F498 WeakPolarHBondContact O-CB 3.35Å; Y495-F498 PolarHBondContact O-N 2.88Å; E496-F498 VanDerWaalsContact C-N 3.3Å; E496-F498 PolarHBondContact O-N 3.26Å; F498-R500 PolarHBondContact O-N 3Å; F498-G501 PolarHBondContact O-N 3.23Å; F498-G501 VanDerWaalsContact O-N 3.14Å; F498-C502 VanDerWaalsContact CZ-SG 3.55Å; F498-C502 PolarHBondContact O-N 3.49Å; F498-C502 PolarHBondContact O-SG 3.19Å
499	V	96.9	Very high	96.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-58.9	-48.6	176.8	174.5	0	0	0	0	110.4	F329 Y495 E496 G501 C502 M524 I526	F329-V499 HydrophobicContact CE1-CG1 4.23Å; F329-V499 HydrophobicContact CE1-CG2 4.48Å; F329-V499 HydrophobicContact CE2-CG2 3.85Å; F329-V499 HydrophobicContact CZ-CB 4.16Å; F329-V499 HydrophobicContact CZ-CG1 3.8Å; F329-V499 HydrophobicContact CZ-CG2 3.62Å; Y495-V499 HydrophobicContact CD1-CG2 4.43Å; Y495-V499 HydrophobicContact CD2-CG2 4.13Å; Y495-V499 HydrophobicContact CE1-CG2 4.01Å; Y495-V499 HydrophobicContact CE2-CG2 3.67Å; Y495-V499 HydrophobicContact CG-CG2 4.5Å; Y495-V499 WeakPolarHBondContact O-CG2 3.09Å; Y495-V499 PolarHBondContact O-N 3.05Å; E496-V499 PolarHBondContact O-N 2.92Å; V499-G501 PolarHBondContact O-N 2.85Å; V499-C502 WeakPolarHBondContact O-CB 3.36Å; V499-C502 PolarHBondContact O-N 3.28Å; V499-M524 HydrophobicContact CB-CE 3.74Å; V499-M524 HydrophobicContact CB-SD 3.93Å; V499-M524 HydrophobicContact CG1-CE 3.51Å; V499-M524 HydrophobicContact CG1-SD 3.91Å; V499-M524 HydrophobicContact CG2-CE 4.18Å; V499-I526 HydrophobicContact CG1-CB 4.48Å; V499-I526 HydrophobicContact CG1-CG1 4.18Å; V499-I526 WeakPolarHBondContact O-CG1 3.22Å
500	R	95.8	Very high	96.2	Very high	38 Å²	38	20.5 Å²	20.5	14%	0.143	10%	0.101	C	C	.	.	H	α-helix	trans	-55.9	-36.1	176.6	-73	179.2	-176.5	105.4	9.6	112.6	H299 E496 D497 F498 C502 M524	H299-R500 WeakPolarHBondContact CA-O 3.48Å; H299-R500 PolarHBondContact ND1-O 3.2Å; E496-R500 VanDerWaalsContact CB-NH1 3.34Å; E496-R500 WeakPolarHBondContact O-CG 3.35Å; E496-R500 PolarHBondContact O-N 2.95Å; E496-R500 IonicContact OE2-CZ 2.81Å; E496-R500 IonicContact OE2-NH1 3.99Å; E496-R500 PolarHBondContact OE2-NH1 2.87Å; E496-R500 IonicContact OE2-NH2 3.43Å; E496-R500 PolarHBondContact OE2-NH2 3.12Å; E496-R500 VanDerWaalsContact OE2-NH2 3.11Å; D497-R500 PolarHBondContact O-N 3.5Å; F498-R500 PolarHBondContact O-N 3Å; R500-C502 VanDerWaalsContact C-N 3.33Å; R500-M524 HydrophobicContact CG-CB 4.09Å; R500-M524 HydrophobicContact CG-CG 4.1Å; R500-M524 HydrophobicContact CG-SD 3.78Å
501	G	97.1	Very high	96.3	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-75.7	-17.7	178.1	0	0	0	0	0	114.8	D497 F498 V499	D497-G501 PolarHBondContact O-N 3.21Å; F498-G501 PolarHBondContact O-N 3.23Å; F498-G501 VanDerWaalsContact O-N 3.14Å; V499-G501 PolarHBondContact O-N 2.85Å
502	C	98.5	Very high	96.3	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.102	C	C	.	.			trans	-78.7	168.3	179.4	-70.1	0	0	0	0	112.6	H299 F327 F329 F498 V499 R500	H299-C502 PolarHBondContact CE1-O 3.21Å; H299-C502 PolarHBondContact ND1-O 2.92Å; F327-C502 HydrophobicContact CB-CB 4.37Å; F329-C502 HydrophobicContact CD1-CB 3.58Å; F329-C502 HydrophobicContact CE1-CB 3.85Å; F498-C502 VanDerWaalsContact CZ-SG 3.55Å; F498-C502 PolarHBondContact O-N 3.49Å; F498-C502 PolarHBondContact O-SG 3.19Å; V499-C502 WeakPolarHBondContact O-CB 3.36Å; V499-C502 PolarHBondContact O-N 3.28Å; R500-C502 VanDerWaalsContact C-N 3.33Å
503	N	98.6	Very high	96.4	Very high	3 Å²	3	19 Å²	19	2%	0.016	9%	0.09	C	C	.	.	S	Bend	trans	-105.6	-32.7	179.3	-65.1	112.5	0	0	0	113.5	L326 F327 F576	L326-N503 WeakPolarHBondContact CA-OD1 3.21Å; L326-N503 HydrophobicContact CB-CB 4.43Å; L326-N503 HydrophobicContact CD2-CB 4.31Å; F327-N503 PolarHBondContact N-OD1 2.87Å; F327-N503 PolarHBondContact O-N 3.44Å; N503-F576 HydrophobicContact CB-CE1 4.1Å; N503-F576 HydrophobicContact CB-CZ 4.31Å; N503-F576 VanDerWaalsContact O-CZ 3.28Å; N503-F576 WeakPolarHBondContact O-CZ 3.27Å
504	L	98.8	Very high	96.3	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.005	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	126.2	-179.1	-174.8	69.6	0	0	0	110.1	F327 F328 F329 V506 P527 V529 Y553 F576	F327-L504 PolarHBondContact O-N 3.03Å; F328-L504 VanDerWaalsContact CA-O 3.27Å; F328-L504 WeakPolarHBondContact CA-O 3.45Å; F328-L504 HydrophobicContact CD1-CB 3.51Å; F328-L504 HydrophobicContact CD1-CD2 4.21Å; F328-L504 HydrophobicContact CD1-CG 4.45Å; F328-L504 HydrophobicContact CD2-CD2 4.34Å; F328-L504 HydrophobicContact CE1-CB 3.66Å; F328-L504 HydrophobicContact CE1-CD2 3.95Å; F328-L504 HydrophobicContact CE1-CG 4.47Å; F328-L504 HydrophobicContact CE2-CD2 4.08Å; F328-L504 HydrophobicContact CG-CB 4.19Å; F328-L504 HydrophobicContact CG-CD2 4.42Å; F328-L504 HydrophobicContact CZ-CB 4.45Å; F328-L504 HydrophobicContact CZ-CD2 3.88Å; F329-L504 PolarHBondContact N-O 3.11Å; F329-L504 VanDerWaalsContact N-O 3.12Å; L504-V506 HydrophobicContact CD2-CG2 3.84Å; L504-V506 HydrophobicContact CG-CG2 3.91Å; L504-P527 WeakPolarHBondContact CA-O 3.44Å; L504-P527 HydrophobicContact CD1-CB 3.86Å; L504-V529 HydrophobicContact CD1-CG2 4.16Å; L504-V529 HydrophobicContact CD2-CG2 4.1Å; L504-V529 HydrophobicContact CG-CG2 4.29Å; L504-Y553 HydrophobicContact CD1-CD2 4.25Å; L504-Y553 HydrophobicContact CD1-CE2 4.13Å; L504-F576 HydrophobicContact CB-CD1 4.48Å; L504-F576 HydrophobicContact CB-CE1 4.13Å; L504-F576 HydrophobicContact CB-CZ 4.25Å; L504-F576 HydrophobicContact CD1-CD2 4.3Å; L504-F576 HydrophobicContact CD1-CE2 4.27Å; L504-F576 HydrophobicContact CD2-CD1 4.31Å; L504-F576 HydrophobicContact CD2-CG 4.27Å
505	G	98.7	Very high	96.3	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	135.1	164.9	0	0	0	0	0	110.4	P527 S528 V529	G505-P527 PolarHBondContact N-O 3.37Å; G505-S528 CarbonylContact O-C 3.56Å; G505-S528 WeakPolarHBondContact O-CA 3.32Å; G505-V529 PolarHBondContact O-N 3.43Å
506	V	98.8	Very high	96.2	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	103.4	-177.2	-175.1	0	0	0	0	109.6	F328 F329 I330 F344 L504 P508 V529 L569	F328-V506 HydrophobicContact CB-CG2 4.48Å; F329-V506 PolarHBondContact O-N 3.15Å; I330-V506 WeakPolarHBondContact CB-O 3.46Å; I330-V506 VanDerWaalsContact CG1-O 3.3Å; I330-V506 WeakPolarHBondContact CG1-O 3.31Å; F344-V506 HydrophobicContact CD2-CB 4.22Å; F344-V506 HydrophobicContact CD2-CG1 3.51Å; F344-V506 HydrophobicContact CE1-CB 4.26Å; F344-V506 HydrophobicContact CE2-CB 3.68Å; F344-V506 HydrophobicContact CE2-CG1 3.39Å; F344-V506 HydrophobicContact CE2-CG2 3.98Å; F344-V506 HydrophobicContact CG-CG1 4.15Å; F344-V506 HydrophobicContact CZ-CB 3.69Å; F344-V506 HydrophobicContact CZ-CG1 3.93Å; F344-V506 HydrophobicContact CZ-CG2 4.04Å; L504-V506 HydrophobicContact CD2-CG2 3.84Å; L504-V506 HydrophobicContact CG-CG2 3.91Å; V506-P508 VanDerWaalsContact C-CD 3.46Å; V506-P508 WeakPolarHBondContact O-CD 3.46Å; V506-V529 HydrophobicContact CG1-CB 4.25Å; V506-V529 HydrophobicContact CG1-CG2 4.44Å; V506-V529 HydrophobicContact CG2-CG2 4.2Å; V506-L569 HydrophobicContact CG1-CD1 3.84Å; V506-L569 HydrophobicContact CG1-CD2 4.44Å
507	F	98.4	Very high	96.2	Very high	5 Å²	5	11 Å²	11	2%	0.022	5%	0.052	C	C	.	.			trans	-124.3	70.1	-173.8	-41.9	-71.1	0	0	0	110.6	F329 I330 S509 T517 P518 V529 T530	F329-F507 HydrophobicContact CD2-CE1 4.42Å; F329-F507 HydrophobicContact CD2-CZ 4.45Å; F329-F507 AromaticContact CE2-CE1 4Å; F329-F507 HydrophobicContact CE2-CE1 4Å; F329-F507 AromaticContact CE2-CZ 3.73Å; F329-F507 HydrophobicContact CE2-CZ 3.73Å; F329-F507 HydrophobicContact CZ-CE1 4.49Å; F329-F507 AromaticContact CZ-CZ 3.78Å; F329-F507 HydrophobicContact CZ-CZ 3.78Å; I330-F507 HydrophobicContact CG1-CD1 4.23Å; F507-S509 PolarHBondContact O-N 3.22Å; F507-T517 HydrophobicContact CD1-CG2 3.8Å; F507-T517 HydrophobicContact CE1-CG2 3.19Å; F507-T517 HydrophobicContact CE2-CG2 4.22Å; F507-T517 HydrophobicContact CZ-CG2 3.43Å; F507-T517 VanDerWaalsContact CZ-CG2 3.43Å; F507-P518 HydrophobicContact CD2-CB 3.74Å; F507-P518 HydrophobicContact CD2-CG 4.21Å; F507-P518 HydrophobicContact CE2-CB 4.1Å; F507-V529 CarbonylContact C-O 3.5Å; F507-V529 WeakPolarHBondContact CA-O 3.31Å; F507-V529 PolarHBondContact N-O 3.34Å; F507-T530 WeakPolarHBondContact O-CA 3.48Å
508	P	97.9	Very high	96.2	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	4%	0.042	C	C	.	.			trans	-79.1	49.4	-175.8	35.5	-36	0	0	0	111.4	G340 F344 V506 T531 R557 L569	G340-P508 WeakPolarHBondContact CA-O 3.49Å; G340-P508 WeakPolarHBondContact O-CG 3.38Å; F344-P508 HydrophobicContact CB-CG 3.97Å; V506-P508 VanDerWaalsContact C-CD 3.46Å; V506-P508 WeakPolarHBondContact O-CD 3.46Å; P508-T531 VanDerWaalsContact CA-CG2 3.41Å; P508-T531 HydrophobicContact CB-CG2 4.3Å; P508-R557 WeakPolarHBondContact O-CD 3.31Å; P508-R557 PolarHBondContact O-NH1 2.97Å; P508-L569 HydrophobicContact CB-CD2 3.78Å; P508-L569 HydrophobicContact CG-CD2 3.9Å
509	S	97.1	Very high	96	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.007	4%	0.043	C	C	.	.			trans	-57.7	140.6	-173	-56.6	0	0	0	0	113.1	N338 F507 E512 T531	N338-S509 CarbonylContact O-C 3.51Å; N338-S509 WeakPolarHBondContact O-CA 3.31Å; F507-S509 PolarHBondContact O-N 3.22Å; S509-E512 VanDerWaalsContact CB-OE2 3.24Å; S509-E512 WeakPolarHBondContact CB-OE2 3.39Å; S509-E512 VanDerWaalsContact OG-CD 3.24Å; S509-E512 PolarHBondContact OG-OE2 3.43Å; S509-T531 WeakPolarHBondContact O-CB 3.39Å; S509-T531 VanDerWaalsContact O-CG2 3.24Å; S509-T531 WeakPolarHBondContact O-CG2 3.31Å; S509-T531 PolarHBondContact O-OG1 3.45Å
510	Y	95.9	Very high	95.7	Very high	33 Å²	33	11.7 Å²	11.7	13%	0.129	5%	0.054	C	C	.	.	S	Bend	trans	-90.5	-46.3	168.6	-177.9	-114.2	0	0	0	111.4	C216 V220 F222 Y223 N338 L533	C216-Y510 HydrophobicContact CB-CD1 4.32Å; C216-Y510 HydrophobicContact CB-CE1 4.28Å; V220-Y510 PolarHBondContact O-OH 2.96Å; F222-Y510 HydrophobicContact CB-CE1 4.38Å; F222-Y510 PolarHBondContact N-OH 3.29Å; Y223-Y510 HydrophobicContact CD2-CE2 4.12Å; Y223-Y510 VanDerWaalsContact CE2-O 3.26Å; Y223-Y510 WeakPolarHBondContact CE2-O 3.25Å; N338-Y510 PolarHBondContact O-N 3.38Å; Y510-L533 HydrophobicContact CD2-CD1 3.66Å; Y510-L533 HydrophobicContact CE2-CD1 3.94Å; Y510-L533 WeakPolarHBondContact O-CB 3.4Å
511	Y	95.1	Very high	95.7	Very high	6 Å²	6	9.9 Å²	9.9	2%	0.024	5%	0.048	C	C	.	.	S	Bend	trans	-122.9	101.6	177.7	-174.8	-99.7	0	0	0	110	T209 R213 C216 F222 E267 N338 P513	T209-Y511 PolarHBondContact O-OH 3.37Å; R213-Y511 HydrophobicContact CB-CE1 3.79Å; R213-Y511 HydrophobicContact CG-CE1 4.11Å; R213-Y511 PolarHBondContact N-OH 3.2Å; C216-Y511 HydrophobicContact CB-CD2 4.14Å; C216-Y511 HydrophobicContact CB-CG 3.91Å; C216-Y511 WeakPolarHBondContact SG-CD2 3.09Å; F222-Y511 HydrophobicContact CE1-CD2 4.46Å; F222-Y511 HydrophobicContact CE1-CE2 4.28Å; E267-Y511 PolarHBondContact OE1-OH 3.21Å; N338-Y511 PolarHBondContact O-N 2.96Å; Y511-P513 HydrophobicContact CE1-CG 3.99Å
512	E	94.4	Very high	95.6	Very high	8 Å²	8	9.9 Å²	9.9	4%	0.037	5%	0.048	C	C	.	.	B	Isolated β-bridge	trans	-145.4	95.8	-179.9	-177.4	158.9	-119.5	0	0	110.3	K339 S509 W514 G515 S534 G535	K339-E512 IonicContact NZ-OE1 3.91Å; K339-E512 PolarHBondContact NZ-OE1 3.1Å; S509-E512 VanDerWaalsContact CB-OE2 3.24Å; S509-E512 WeakPolarHBondContact CB-OE2 3.39Å; S509-E512 VanDerWaalsContact OG-CD 3.24Å; S509-E512 PolarHBondContact OG-OE2 3.43Å; E512-W514 PolarHBondContact O-N 2.93Å; E512-W514 VanDerWaalsContact O-N 3.12Å; E512-G515 VanDerWaalsContact CD-CA 3.45Å; E512-S534 WeakPolarHBondContact CG-OG 3.5Å; E512-S534 WeakPolarHBondContact O-CA 3.34Å; E512-S534 PolarHBondContact OE2-OG 3.3Å; E512-G535 PolarHBondContact O-N 3.34Å
513	P	93.9	Very high	95.2	Very high	24 Å²	24	11.5 Å²	11.5	16%	0.156	6%	0.057	C	C	.	.	S	Bend	trans	-58.5	-31.3	-173.6	-26.3	32.9	0	0	0	114.4	H207 A208 V260 S261 Y511	H207-P513 WeakPolarHBondContact O-CB 3.47Å; A208-P513 HydrophobicContact CB-CB 4.2Å; A208-P513 HydrophobicContact CB-CG 3.54Å; V260-P513 HydrophobicContact CG2-CB 4.37Å; S261-P513 WeakPolarHBondContact CB-O 3.43Å; S261-P513 PolarHBondContact OG-O 3.17Å; Y511-P513 HydrophobicContact CE1-CG 3.99Å
514	W	94.6	Very high	94.8	Very high	12 Å²	12	12 Å²	12	5%	0.045	6%	0.06	C	C	.	.	S	Bend	trans	-127	-82	171.1	-179.3	-117.8	0	0	0	111.9	V260 P281 N282 E512 Y516 S534 G535 F536 F539	V260-W514 HydrophobicContact CG2-CB 4.3Å; P281-W514 HydrophobicContact CB-CH2 3.51Å; P281-W514 HydrophobicContact CB-CZ2 4.29Å; P281-W514 HydrophobicContact CB-CZ3 3.66Å; N282-W514 HydrophobicContact CB-CD2 4.16Å; N282-W514 HydrophobicContact CB-CG 4.01Å; N282-W514 WeakPolarHBondContact ND2-CB 3.34Å; N282-W514 VanDerWaalsContact ND2-CG 3.26Å; N282-W514 VanDerWaalsContact O-CE2 3.25Å; N282-W514 WeakPolarHBondContact O-CZ2 3.48Å; N282-W514 PolarHBondContact O-NE1 3.29Å; E512-W514 PolarHBondContact O-N 2.93Å; E512-W514 VanDerWaalsContact O-N 3.12Å; W514-Y516 AromaticContact CD1-CD1 3.94Å; W514-Y516 AromaticContact CD1-CE1 3.75Å; W514-Y516 AromaticContact CD1-CE2 3.97Å; W514-Y516 AromaticContact CD1-CZ 3.73Å; W514-S534 PolarHBondContact O-OG 2.64Å; W514-S534 VanDerWaalsContact O-OG 3.11Å; W514-G535 CarbonylContact O-C 3.58Å; W514-G535 WeakPolarHBondContact O-CA 3.48Å; W514-G535 PolarHBondContact O-N 2.99Å; W514-F536 WeakPolarHBondContact O-CB 3.41Å; W514-F536 PolarHBondContact O-N 3Å; W514-F539 HydrophobicContact CH2-CB 3.88Å; W514-F539 HydrophobicContact CH2-CD1 4.23Å; W514-F539 HydrophobicContact CH2-CD2 4.33Å; W514-F539 AromaticContact CH2-CG 3.89Å; W514-F539 HydrophobicContact CH2-CG 3.89Å; W514-F539 HydrophobicContact CZ3-CB 3.98Å; W514-F539 HydrophobicContact CZ3-CG 4.39Å
515	G	92.6	Very high	94.6	Very high	4 Å²	4	12 Å²	12	4%	0.041	6%	0.06	C	C	.	.			trans	111.5	71.6	-175	0	0	0	0	0	112.1	E512 P518	E512-G515 VanDerWaalsContact CD-CA 3.45Å; G515-P518 WeakPolarHBondContact O-CD 3.41Å; G515-P518 VanDerWaalsContact O-CG 3.31Å; G515-P518 WeakPolarHBondContact O-CG 3.44Å
516	Y	91.1	Very high	94.5	Very high	42 Å²	42	12 Å²	12	17%	0.165	6%	0.06	C	C	.	.	H	α-helix	trans	-63.3	-42.8	175.7	-68.2	-78.9	0	0	0	112.3	V48 N282 L284 W514 G519 E520	V48-Y516 HydrophobicContact CG2-CE1 4.36Å; V48-Y516 WeakPolarHBondContact CG2-OH 3.37Å; N282-Y516 HydrophobicContact CB-CE1 3.79Å; N282-Y516 VanDerWaalsContact CB-OH 3.29Å; N282-Y516 WeakPolarHBondContact CB-OH 3.44Å; N282-Y516 PolarHBondContact ND2-OH 3.02Å; L284-Y516 HydrophobicContact CD2-CD1 4.23Å; W514-Y516 AromaticContact CD1-CD1 3.94Å; W514-Y516 AromaticContact CD1-CE1 3.75Å; W514-Y516 AromaticContact CD1-CE2 3.97Å; W514-Y516 AromaticContact CD1-CZ 3.73Å; Y516-G519 CarbonylContact O-C 3.24Å; Y516-G519 WeakPolarHBondContact O-CA 3.19Å; Y516-G519 PolarHBondContact O-N 3.08Å; Y516-E520 WeakPolarHBondContact O-CG 3.41Å; Y516-E520 PolarHBondContact O-N 3.3Å
517	T	93	Very high	94.5	Very high	16 Å²	16	12.1 Å²	12.1	10%	0.098	6%	0.06	C	C	.	.	H	α-helix	trans	-55.5	-49	-174.3	-43.4	0	0	0	0	112.9	A331 Y495 F507 C521	A331-T517 HydrophobicContact CB-CG2 4.18Å; Y495-T517 VanDerWaalsContact OH-CG2 3.25Å; Y495-T517 WeakPolarHBondContact OH-CG2 3.41Å; F507-T517 HydrophobicContact CD1-CG2 3.8Å; F507-T517 HydrophobicContact CE1-CG2 3.19Å; F507-T517 HydrophobicContact CE2-CG2 4.22Å; F507-T517 HydrophobicContact CZ-CG2 3.43Å; F507-T517 VanDerWaalsContact CZ-CG2 3.43Å; T517-C521 PolarHBondContact O-N 2.95Å; T517-C521 PolarHBondContact O-SG 3.39Å
518	P	95.9	Very high	94.5	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-68.3	-30.9	172.2	24.9	-33.8	0	0	0	114.1	F507 G515 C521 T522 F536	F507-P518 HydrophobicContact CD2-CB 3.74Å; F507-P518 HydrophobicContact CD2-CG 4.21Å; F507-P518 HydrophobicContact CE2-CB 4.1Å; G515-P518 WeakPolarHBondContact O-CD 3.41Å; G515-P518 VanDerWaalsContact O-CG 3.31Å; G515-P518 WeakPolarHBondContact O-CG 3.44Å; P518-C521 WeakPolarHBondContact O-CB 3.39Å; P518-C521 PolarHBondContact O-N 3.44Å; P518-T522 PolarHBondContact O-N 3.21Å; P518-T522 PolarHBondContact O-OG1 3.41Å; P518-F536 HydrophobicContact CB-CD1 3.64Å; P518-F536 HydrophobicContact CB-CE1 3.64Å; P518-F536 HydrophobicContact CB-CG 4.21Å; P518-F536 HydrophobicContact CB-CZ 4.17Å; P518-F536 HydrophobicContact CG-CB 4.18Å; P518-F536 HydrophobicContact CG-CD1 3.64Å; P518-F536 HydrophobicContact CG-CE1 4.18Å; P518-F536 HydrophobicContact CG-CG 3.87Å
519	G	92.8	Very high	94.5	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.01	6%	0.059	C	C	.	.	H	α-helix	trans	-63.5	-46.8	173	0	0	0	0	0	112.7	Y516 C521 T522 V523	Y516-G519 CarbonylContact O-C 3.24Å; Y516-G519 WeakPolarHBondContact O-CA 3.19Å; Y516-G519 PolarHBondContact O-N 3.08Å; G519-C521 VanDerWaalsContact C-N 3.33Å; G519-C521 PolarHBondContact O-N 3.44Å; G519-T522 WeakPolarHBondContact O-CB 3.47Å; G519-T522 PolarHBondContact O-N 3.31Å; G519-T522 VanDerWaalsContact O-N 3.12Å; G519-V523 WeakPolarHBondContact O-CG2 2.94Å; G519-V523 PolarHBondContact O-N 3.27Å
520	E	91.6	Very high	94.6	Very high	52 Å²	52	11.8 Å²	11.8	24%	0.243	6%	0.059	C	C	.	.	H	α-helix	trans	-59.5	-42.7	173.7	-70.9	169.6	166	0	0	111.3	L284 Y495 Y516 T522 V523 M524	L284-E520 HydrophobicContact CD1-CG 4.3Å; Y495-E520 WeakPolarHBondContact CE1-OE2 3.37Å; Y495-E520 PolarHBondContact OH-OE2 3.41Å; Y516-E520 WeakPolarHBondContact O-CG 3.41Å; Y516-E520 PolarHBondContact O-N 3.3Å; E520-T522 VanDerWaalsContact C-N 3.29Å; E520-T522 PolarHBondContact O-N 3.24Å; E520-V523 PolarHBondContact O-N 2.92Å; E520-M524 HydrophobicContact CB-CE 3.77Å; E520-M524 WeakPolarHBondContact O-CB 3.3Å; E520-M524 WeakPolarHBondContact O-CE 3.17Å; E520-M524 WeakPolarHBondContact O-CG 3.29Å; E520-M524 PolarHBondContact O-N 2.87Å
521	C	94.8	Very high	94.7	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-56.8	-46.2	173.5	-67.6	0	0	0	0	111.1	F329 T517 P518 G519 M524 G525 I526	F329-C521 VanDerWaalsContact CZ-SG 3.53Å; T517-C521 PolarHBondContact O-N 2.95Å; T517-C521 PolarHBondContact O-SG 3.39Å; P518-C521 WeakPolarHBondContact O-CB 3.39Å; P518-C521 PolarHBondContact O-N 3.44Å; G519-C521 VanDerWaalsContact C-N 3.33Å; G519-C521 PolarHBondContact O-N 3.44Å; C521-M524 CarbonylContact O-C 3.49Å; C521-M524 PolarHBondContact O-N 2.89Å; C521-M524 VanDerWaalsContact O-N 3.12Å; C521-G525 PolarHBondContact O-N 3.49Å; C521-G525 VanDerWaalsContact O-N 3.15Å; C521-I526 CarbonylContact C-O 3.6Å; C521-I526 HydrophobicContact CB-CB 4.24Å; C521-I526 WeakPolarHBondContact CB-O 3.39Å; C521-I526 PolarHBondContact O-N 3.14Å
522	T	94.3	Very high	94.7	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-62.1	-46	-179.6	-54.6	0	0	0	0	111.4	P518 G519 E520 M524 G525 F536 M540 I552 T591 L594 L598	P518-T522 PolarHBondContact O-N 3.21Å; P518-T522 PolarHBondContact O-OG1 3.41Å; G519-T522 WeakPolarHBondContact O-CB 3.47Å; G519-T522 PolarHBondContact O-N 3.31Å; G519-T522 VanDerWaalsContact O-N 3.12Å; E520-T522 VanDerWaalsContact C-N 3.29Å; E520-T522 PolarHBondContact O-N 3.24Å; T522-M524 PolarHBondContact O-N 3.19Å; T522-G525 PolarHBondContact O-N 3.14Å; T522-F536 WeakPolarHBondContact OG1-CZ 3.46Å; T522-M540 HydrophobicContact CG2-CE 4.11Å; T522-I552 HydrophobicContact CG2-CD1 4.29Å; T522-I552 WeakPolarHBondContact OG1-CD1 3.23Å; T522-T591 HydrophobicContact CG2-CG2 4.09Å; T522-T591 WeakPolarHBondContact CG2-O 2.99Å; T522-L594 HydrophobicContact CG2-CB 3.78Å; T522-L598 HydrophobicContact CG2-CD1 3.9Å
523	V	90.9	Very high	94.8	Very high	33 Å²	33	10.1 Å²	10.1	20%	0.2	5%	0.053	C	C	.	.	H	α-helix	trans	-60.8	-31.1	175.4	172.3	0	0	0	0	112.2	L284 V286 G519 E520 G525 L598	L284-V523 HydrophobicContact CB-CG2 4.45Å; L284-V523 HydrophobicContact CD1-CG2 3.77Å; V286-V523 HydrophobicContact CG1-CG1 4.22Å; V286-V523 HydrophobicContact CG2-CG1 4.19Å; V286-V523 HydrophobicContact CG2-CG2 3.88Å; G519-V523 WeakPolarHBondContact O-CG2 2.94Å; G519-V523 PolarHBondContact O-N 3.27Å; E520-V523 PolarHBondContact O-N 2.92Å; V523-G525 VanDerWaalsContact C-N 3.32Å; V523-L598 HydrophobicContact CG2-CD1 4.36Å
524	M	91.1	Very high	95	Very high	15 Å²	15	9 Å²	9	7%	0.074	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	5.3	176.2	-69.4	-176.2	-93.9	0	0	113.9	E496 V499 R500 E520 C521 T522 I526	E496-M524 HydrophobicContact CB-SD 4.06Å; V499-M524 HydrophobicContact CB-CE 3.74Å; V499-M524 HydrophobicContact CB-SD 3.93Å; V499-M524 HydrophobicContact CG1-CE 3.51Å; V499-M524 HydrophobicContact CG1-SD 3.91Å; V499-M524 HydrophobicContact CG2-CE 4.18Å; R500-M524 HydrophobicContact CG-CB 4.09Å; R500-M524 HydrophobicContact CG-CG 4.1Å; R500-M524 HydrophobicContact CG-SD 3.78Å; E520-M524 HydrophobicContact CB-CE 3.77Å; E520-M524 WeakPolarHBondContact O-CB 3.3Å; E520-M524 WeakPolarHBondContact O-CE 3.17Å; E520-M524 WeakPolarHBondContact O-CG 3.29Å; E520-M524 PolarHBondContact O-N 2.87Å; C521-M524 CarbonylContact O-C 3.49Å; C521-M524 PolarHBondContact O-N 2.89Å; C521-M524 VanDerWaalsContact O-N 3.12Å; T522-M524 PolarHBondContact O-N 3.19Å; M524-I526 VanDerWaalsContact C-N 3.28Å; M524-I526 HydrophobicContact CB-CG1 4.19Å; M524-I526 PolarHBondContact O-N 3.38Å
525	G	93	Very high	95	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.5	22.7	-178.5	0	0	0	0	0	114	C521 T522 V523 R588	C521-G525 PolarHBondContact O-N 3.49Å; C521-G525 VanDerWaalsContact O-N 3.15Å; T522-G525 PolarHBondContact O-N 3.14Å; V523-G525 VanDerWaalsContact C-N 3.32Å; G525-R588 WeakPolarHBondContact O-CA 3.43Å; G525-R588 WeakPolarHBondContact O-CB 3.23Å; G525-R588 WeakPolarHBondContact O-CG 3.42Å
526	I	96.9	Very high	95.2	Very high	1 Å²	1	8.3 Å²	8.3	1%	0.005	4%	0.042	C	C	.	.			trans	-102.4	117.9	-179.8	-54.5	-56.5	0	0	0	109.3	V499 C521 M524	V499-I526 HydrophobicContact CG1-CB 4.48Å; V499-I526 HydrophobicContact CG1-CG1 4.18Å; V499-I526 WeakPolarHBondContact O-CG1 3.22Å; C521-I526 CarbonylContact C-O 3.6Å; C521-I526 HydrophobicContact CB-CB 4.24Å; C521-I526 WeakPolarHBondContact CB-O 3.39Å; C521-I526 PolarHBondContact O-N 3.14Å; M524-I526 VanDerWaalsContact C-N 3.28Å; M524-I526 HydrophobicContact CB-CG1 4.19Å; M524-I526 PolarHBondContact O-N 3.38Å
527	P	98.3	Very high	95.5	Very high	1 Å²	1	6.3 Å²	6.3	1%	0.006	3%	0.034	C	C	.	.			trans	-52.3	147.4	174.1	-30.1	36.5	0	0	0	111.6	L504 G505 G551 Y553 F576 Q587 R588	L504-P527 WeakPolarHBondContact CA-O 3.44Å; L504-P527 HydrophobicContact CD1-CB 3.86Å; G505-P527 PolarHBondContact N-O 3.37Å; P527-G551 CarbonylContact C-O 3.5Å; P527-G551 VanDerWaalsContact CA-O 3.26Å; P527-G551 WeakPolarHBondContact CA-O 3.34Å; P527-G551 WeakPolarHBondContact CB-O 3.45Å; P527-Y553 HydrophobicContact CB-CE2 4.4Å; P527-F576 HydrophobicContact CB-CE2 4.21Å; P527-F576 HydrophobicContact CG-CE2 4.25Å; P527-Q587 HydrophobicContact CG-CG 4Å; P527-R588 HydrophobicContact CG-CG 4.46Å
528	S	98.4	Very high	95.5	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	149.5	-179.6	65.5	0	0	0	0	113.1	G505 G551 Y553	G505-S528 CarbonylContact O-C 3.56Å; G505-S528 WeakPolarHBondContact O-CA 3.32Å; S528-G551 PolarHBondContact N-O 3.02Å; S528-Y553 PolarHBondContact O-N 2.79Å
529	V	98.7	Very high	95.4	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	130.1	168	-168.4	0	0	0	0	108.6	L504 G505 V506 F507 Y553 V555 L569 F572	L504-V529 HydrophobicContact CD1-CG2 4.16Å; L504-V529 HydrophobicContact CD2-CG2 4.1Å; L504-V529 HydrophobicContact CG-CG2 4.29Å; G505-V529 PolarHBondContact O-N 3.43Å; V506-V529 HydrophobicContact CG1-CB 4.25Å; V506-V529 HydrophobicContact CG1-CG2 4.44Å; V506-V529 HydrophobicContact CG2-CG2 4.2Å; F507-V529 CarbonylContact C-O 3.5Å; F507-V529 WeakPolarHBondContact CA-O 3.31Å; F507-V529 PolarHBondContact N-O 3.34Å; V529-Y553 CarbonylContact C-O 3.49Å; V529-Y553 VanDerWaalsContact CA-O 3.29Å; V529-Y553 WeakPolarHBondContact CA-O 3.45Å; V529-Y553 HydrophobicContact CG2-CD2 4.22Å; V529-Y553 HydrophobicContact CG2-CG 4.46Å; V529-V555 HydrophobicContact CG1-CG2 3.63Å; V529-L569 HydrophobicContact CB-CD1 4.35Å; V529-L569 HydrophobicContact CG1-CD1 3.67Å; V529-L569 HydrophobicContact CG2-CD1 4.44Å; V529-F572 HydrophobicContact CG1-CD2 4.43Å
530	T	98.4	Very high	95.5	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	-169.3	176.5	-169.2	0	0	0	0	109.7	F507 S534 F536 I552 Y553 I554 V555	F507-T530 WeakPolarHBondContact O-CA 3.48Å; T530-S534 WeakPolarHBondContact OG1-CB 3.38Å; T530-F536 HydrophobicContact CG2-CD1 3.96Å; T530-F536 HydrophobicContact CG2-CE1 4.18Å; T530-I552 HydrophobicContact CG2-CG2 4.41Å; T530-Y553 PolarHBondContact N-O 2.7Å; T530-I554 HydrophobicContact CG2-CG1 3.94Å; T530-V555 PolarHBondContact O-N 2.86Å
531	T	98.4	Very high	95.5	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	158.1	-178	73.9	0	0	0	0	111.5	P508 S509 L533 S534 V555 R557	P508-T531 VanDerWaalsContact CA-CG2 3.41Å; P508-T531 HydrophobicContact CB-CG2 4.3Å; S509-T531 WeakPolarHBondContact O-CB 3.39Å; S509-T531 VanDerWaalsContact O-CG2 3.24Å; S509-T531 WeakPolarHBondContact O-CG2 3.31Å; S509-T531 PolarHBondContact O-OG1 3.45Å; T531-L533 PolarHBondContact O-N 3.1Å; T531-L533 VanDerWaalsContact O-N 3.13Å; T531-L533 PolarHBondContact OG1-N 3.16Å; T531-S534 WeakPolarHBondContact O-CB 3.23Å; T531-S534 PolarHBondContact O-N 2.98Å; T531-S534 PolarHBondContact OG1-N 2.94Å; T531-V555 VanDerWaalsContact CA-O 3.28Å; T531-V555 WeakPolarHBondContact CA-O 3.31Å; T531-V555 HydrophobicContact CG2-CB 4.37Å; T531-R557 HydrophobicContact CG2-CG 3.97Å
532	N	96.4	Very high	95.1	Very high	11 Å²	11	13.7 Å²	13.7	6%	0.059	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	12.3	170	65.2	-7.4	0	0	0	113.9	C538 I554 V555 D556 R557 R558	N532-C538 PolarHBondContact O-SG 2.82Å; N532-I554 HydrophobicContact CB-CG2 4.15Å; N532-V555 PolarHBondContact N-O 3.5Å; N532-V555 VanDerWaalsContact N-O 3.16Å; N532-V555 PolarHBondContact OD1-O 2.78Å; N532-D556 PolarHBondContact ND2-OD1 3.49Å; N532-R557 PolarHBondContact OD1-N 2.97Å; N532-R558 PolarHBondContact OD1-N 3.08Å
533	L	96.3	Very high	94.7	Very high	1 Å²	1	14 Å²	14	1%	0.005	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-2.5	167.1	-64.6	179	0	0	0	112.4	Y223 I263 Y510 T531 R557 R558	Y223-L533 HydrophobicContact CD1-CD2 4.13Å; Y223-L533 HydrophobicContact CD2-CD1 3.75Å; Y223-L533 HydrophobicContact CD2-CD2 3.63Å; Y223-L533 HydrophobicContact CD2-CG 4.24Å; Y223-L533 HydrophobicContact CE1-CD2 4.34Å; Y223-L533 HydrophobicContact CE2-CB 4.27Å; Y223-L533 HydrophobicContact CE2-CD1 3.92Å; Y223-L533 HydrophobicContact CE2-CD2 3.85Å; Y223-L533 HydrophobicContact CE2-CG 4.24Å; Y223-L533 HydrophobicContact CG-CD2 3.75Å; I263-L533 HydrophobicContact CD1-CD2 4.01Å; I263-L533 HydrophobicContact CG1-CD2 4.48Å; Y510-L533 HydrophobicContact CD2-CD1 3.66Å; Y510-L533 HydrophobicContact CE2-CD1 3.94Å; Y510-L533 WeakPolarHBondContact O-CB 3.4Å; T531-L533 PolarHBondContact O-N 3.1Å; T531-L533 VanDerWaalsContact O-N 3.13Å; T531-L533 PolarHBondContact OG1-N 3.16Å; L533-R557 HydrophobicContact CD1-CB 3.77Å; L533-R557 WeakPolarHBondContact CD1-O 3.44Å; L533-R557 HydrophobicContact CG-CB 4.21Å; L533-R558 HydrophobicContact CD2-CB 3.73Å; L533-R558 HydrophobicContact CD2-CG 3.89Å; L533-R558 HydrophobicContact CG-CB 4.17Å
534	S	97.1	Very high	94.6	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.06	C	C	.	.	B	Isolated β-bridge	trans	-95	136.2	172.6	-175.3	0	0	0	0	109.4	E512 W514 T530 T531 F536 G537 C538	E512-S534 WeakPolarHBondContact CG-OG 3.5Å; E512-S534 WeakPolarHBondContact O-CA 3.34Å; E512-S534 PolarHBondContact OE2-OG 3.3Å; W514-S534 PolarHBondContact O-OG 2.64Å; W514-S534 VanDerWaalsContact O-OG 3.11Å; T530-S534 WeakPolarHBondContact OG1-CB 3.38Å; T531-S534 WeakPolarHBondContact O-CB 3.23Å; T531-S534 PolarHBondContact O-N 2.98Å; T531-S534 PolarHBondContact OG1-N 2.94Å; S534-F536 VanDerWaalsContact C-N 3.26Å; S534-F536 PolarHBondContact O-N 2.88Å; S534-G537 PolarHBondContact O-N 2.92Å; S534-C538 PolarHBondContact O-N 3.07Å; S534-C538 PolarHBondContact O-SG 3.46Å
535	G	95.8	Very high	94.4	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.01	7%	0.073	C	C	.	.	H	α-helix	trans	-57.1	-38.5	179.8	0	0	0	0	0	113.8	E512 W514 C538 F539	E512-G535 PolarHBondContact O-N 3.34Å; W514-G535 CarbonylContact O-C 3.58Å; W514-G535 WeakPolarHBondContact O-CA 3.48Å; W514-G535 PolarHBondContact O-N 2.99Å; G535-C538 PolarHBondContact O-N 2.89Å; G535-F539 WeakPolarHBondContact O-CB 3.32Å; G535-F539 PolarHBondContact O-N 3.37Å
536	F	96.4	Very high	94.2	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-63.7	-43.7	174.3	171.5	-90.9	0	0	0	111.3	W514 P518 T522 T530 S534 F539 M540 I552 L598	W514-F536 WeakPolarHBondContact O-CB 3.41Å; W514-F536 PolarHBondContact O-N 3Å; P518-F536 HydrophobicContact CB-CD1 3.64Å; P518-F536 HydrophobicContact CB-CE1 3.64Å; P518-F536 HydrophobicContact CB-CG 4.21Å; P518-F536 HydrophobicContact CB-CZ 4.17Å; P518-F536 HydrophobicContact CG-CB 4.18Å; P518-F536 HydrophobicContact CG-CD1 3.64Å; P518-F536 HydrophobicContact CG-CE1 4.18Å; P518-F536 HydrophobicContact CG-CG 3.87Å; T522-F536 WeakPolarHBondContact OG1-CZ 3.46Å; T530-F536 HydrophobicContact CG2-CD1 3.96Å; T530-F536 HydrophobicContact CG2-CE1 4.18Å; S534-F536 VanDerWaalsContact C-N 3.26Å; S534-F536 PolarHBondContact O-N 2.88Å; F536-F539 PolarHBondContact O-N 3.11Å; F536-M540 HydrophobicContact CD1-CG 4.32Å; F536-M540 HydrophobicContact CD2-CE 4.46Å; F536-M540 HydrophobicContact CD2-CG 4.46Å; F536-M540 HydrophobicContact CE1-CE 4.46Å; F536-M540 HydrophobicContact CE1-CG 3.82Å; F536-M540 HydrophobicContact CE2-CE 3.41Å; F536-M540 VanDerWaalsContact CE2-CE 3.41Å; F536-M540 HydrophobicContact CE2-CG 4Å; F536-M540 HydrophobicContact CZ-CE 3.41Å; F536-M540 VanDerWaalsContact CZ-CE 3.41Å; F536-M540 HydrophobicContact CZ-CG 3.65Å; F536-M540 HydrophobicContact CZ-SD 4.39Å; F536-M540 WeakPolarHBondContact O-CG 3.49Å; F536-M540 PolarHBondContact O-N 3.07Å; F536-I552 HydrophobicContact CE1-CG2 4.15Å; F536-I552 HydrophobicContact CZ-CD1 4.26Å; F536-L598 HydrophobicContact CD2-CD2 4.35Å; F536-L598 HydrophobicContact CE2-CD1 3.9Å; F536-L598 HydrophobicContact CE2-CD2 4.05Å
537	G	96.2	Very high	94	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.2	-47.2	177.1	0	0	0	0	0	111.8	S534 F539 M540 E541 I554	S534-G537 PolarHBondContact O-N 2.92Å; G537-F539 VanDerWaalsContact C-N 3.33Å; G537-F539 PolarHBondContact O-N 3.38Å; G537-M540 PolarHBondContact O-N 3.38Å; G537-E541 WeakPolarHBondContact O-CB 3.25Å; G537-E541 PolarHBondContact O-N 3.26Å; G537-I554 WeakPolarHBondContact O-CD1 3.4Å
538	C	93.8	Very high	93.7	Very high	18 Å²	18	18.8 Å²	18.8	12%	0.122	11%	0.105	C	C	.	.	H	α-helix	trans	-59	-43.4	174.1	-63.9	0	0	0	0	112.1	N532 S534 G535 E541 E542	N532-C538 PolarHBondContact O-SG 2.82Å; S534-C538 PolarHBondContact O-N 3.07Å; S534-C538 PolarHBondContact O-SG 3.46Å; G535-C538 PolarHBondContact O-N 2.89Å; C538-E541 PolarHBondContact O-N 3.3Å; C538-E542 WeakPolarHBondContact O-CB 3.37Å; C538-E542 PolarHBondContact O-N 3.15Å; C538-E542 VanDerWaalsContact O-N 3.15Å
539	F	93.9	Very high	93.3	Very high	8 Å²	8	19.5 Å²	19.5	4%	0.035	11%	0.111	C	C	.	.	H	α-helix	trans	-61.2	-47.6	177.9	176.6	-96.2	0	0	0	111.7	P281 W514 G535 F536 G537 E542 H543 L597 L598 Y602 L603	P281-F539 HydrophobicContact CB-CD2 4.14Å; P281-F539 HydrophobicContact CB-CE2 4.29Å; P281-F539 HydrophobicContact CG-CD2 3.97Å; P281-F539 HydrophobicContact CG-CE2 4.07Å; W514-F539 HydrophobicContact CH2-CB 3.88Å; W514-F539 HydrophobicContact CH2-CD1 4.23Å; W514-F539 HydrophobicContact CH2-CD2 4.33Å; W514-F539 AromaticContact CH2-CG 3.89Å; W514-F539 HydrophobicContact CH2-CG 3.89Å; W514-F539 HydrophobicContact CZ3-CB 3.98Å; W514-F539 HydrophobicContact CZ3-CG 4.39Å; G535-F539 WeakPolarHBondContact O-CB 3.32Å; G535-F539 PolarHBondContact O-N 3.37Å; F536-F539 PolarHBondContact O-N 3.11Å; G537-F539 VanDerWaalsContact C-N 3.33Å; G537-F539 PolarHBondContact O-N 3.38Å; F539-E542 PolarHBondContact O-N 2.86Å; F539-H543 AromaticContact CD2-CE1 3.45Å; F539-H543 VanDerWaalsContact CD2-CE1 3.45Å; F539-H543 WeakPolarHBondContact CD2-CE1 3.31Å; F539-H543 AromaticContact CD2-ND1 3.51Å; F539-H543 AromaticContact CE2-CD2 3.97Å; F539-H543 AromaticContact CE2-CE1 3.37Å; F539-H543 WeakPolarHBondContact CE2-CE1 3.4Å; F539-H543 AromaticContact CE2-CG 3.94Å; F539-H543 AromaticContact CE2-ND1 3.56Å; F539-H543 AromaticContact CE2-NE2 3.62Å; F539-H543 AromaticContact CG-ND1 3.97Å; F539-H543 WeakPolarHBondContact O-CB 3.46Å; F539-H543 PolarHBondContact O-N 2.97Å; F539-H543 PolarHBondContact O-ND1 2.85Å; F539-L597 HydrophobicContact CE1-CB 4.5Å; F539-L598 HydrophobicContact CD1-CD2 4.2Å; F539-L598 HydrophobicContact CE1-CD2 3.9Å; F539-Y602 HydrophobicContact CZ-CE1 4.49Å; F539-L603 HydrophobicContact CE2-CD2 3.85Å; F539-L603 HydrophobicContact CZ-CD2 3.79Å
540	M	93.8	Very high	93	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-65.9	-38.9	179.3	-73.1	-63	-168.2	0	0	112.9	T522 F536 G537 E542 H543 V544 I552 I554 L594 L598	T522-M540 HydrophobicContact CG2-CE 4.11Å; F536-M540 HydrophobicContact CD1-CG 4.32Å; F536-M540 HydrophobicContact CD2-CE 4.46Å; F536-M540 HydrophobicContact CD2-CG 4.46Å; F536-M540 HydrophobicContact CE1-CE 4.46Å; F536-M540 HydrophobicContact CE1-CG 3.82Å; F536-M540 HydrophobicContact CE2-CE 3.41Å; F536-M540 VanDerWaalsContact CE2-CE 3.41Å; F536-M540 HydrophobicContact CE2-CG 4Å; F536-M540 HydrophobicContact CZ-CE 3.41Å; F536-M540 VanDerWaalsContact CZ-CE 3.41Å; F536-M540 HydrophobicContact CZ-CG 3.65Å; F536-M540 HydrophobicContact CZ-SD 4.39Å; F536-M540 WeakPolarHBondContact O-CG 3.49Å; F536-M540 PolarHBondContact O-N 3.07Å; G537-M540 PolarHBondContact O-N 3.38Å; M540-E542 VanDerWaalsContact C-N 3.28Å; M540-E542 PolarHBondContact O-N 3.08Å; M540-H543 PolarHBondContact O-N 2.9Å; M540-V544 WeakPolarHBondContact O-CB 3.43Å; M540-V544 PolarHBondContact O-N 3.16Å; M540-V544 HydrophobicContact SD-CG2 4.08Å; M540-I552 HydrophobicContact CB-CG2 4.07Å; M540-I552 HydrophobicContact CG-CG2 4.13Å; M540-I554 HydrophobicContact CB-CD1 4.39Å; M540-L594 HydrophobicContact CE-CD1 4.5Å; M540-L594 HydrophobicContact SD-CD1 4.45Å; M540-L598 HydrophobicContact CE-CD1 3.84Å; M540-L598 HydrophobicContact CE-CD2 3.9Å; M540-L598 HydrophobicContact CE-CG 4.03Å
541	E	91.6	Very high	92.9	Very high	97 Å²	97	19.5 Å²	19.5	45%	0.453	11%	0.111	S	C	.	.	H	α-helix	trans	-61.8	-37	176.6	-172.4	170.5	-145.6	0	0	112.3	G537 C538 I554	G537-E541 WeakPolarHBondContact O-CB 3.25Å; G537-E541 PolarHBondContact O-N 3.26Å; C538-E541 PolarHBondContact O-N 3.3Å; E541-I554 HydrophobicContact CB-CD1 3.8Å
542	E	87.9	Confident	92.9	Very high	102 Å²	102	19.5 Å²	19.5	48%	0.477	11%	0.111	S	C	.	.	H	α-helix	trans	-74.4	-42.4	178	-175.8	174	-170.3	0	0	112.3	C538 F539 M540 T633	C538-E542 WeakPolarHBondContact O-CB 3.37Å; C538-E542 PolarHBondContact O-N 3.15Å; C538-E542 VanDerWaalsContact O-N 3.15Å; F539-E542 PolarHBondContact O-N 2.86Å; M540-E542 VanDerWaalsContact C-N 3.28Å; M540-E542 PolarHBondContact O-N 3.08Å; E542-T633 PolarHBondContact OE1-OG1 3.11Å; E542-T633 VanDerWaalsContact OE1-OG1 3.1Å
543	H	86.1	Confident	93	Very high	5 Å²	5	19.9 Å²	19.9	2%	0.023	11%	0.112	C	C	.	.	H	α-helix	trans	-95.5	-12.1	-169.3	-64.3	74.7	0	0	0	114.4	F539 M540 T633 R637 Y638	F539-H543 AromaticContact CD2-CE1 3.45Å; F539-H543 VanDerWaalsContact CD2-CE1 3.45Å; F539-H543 WeakPolarHBondContact CD2-CE1 3.31Å; F539-H543 AromaticContact CD2-ND1 3.51Å; F539-H543 AromaticContact CE2-CD2 3.97Å; F539-H543 AromaticContact CE2-CE1 3.37Å; F539-H543 WeakPolarHBondContact CE2-CE1 3.4Å; F539-H543 AromaticContact CE2-CG 3.94Å; F539-H543 AromaticContact CE2-ND1 3.56Å; F539-H543 AromaticContact CE2-NE2 3.62Å; F539-H543 AromaticContact CG-ND1 3.97Å; F539-H543 WeakPolarHBondContact O-CB 3.46Å; F539-H543 PolarHBondContact O-N 2.97Å; F539-H543 PolarHBondContact O-ND1 2.85Å; M540-H543 PolarHBondContact O-N 2.9Å; H543-T633 VanDerWaalsContact NE2-CG2 3.33Å; H543-T633 WeakPolarHBondContact NE2-CG2 3.32Å; H543-R637 CarbonylContact O-C 3.52Å; H543-R637 WeakPolarHBondContact O-CA 3.5Å; H543-Y638 PolarHBondContact O-N 3.02Å
544	V	87.4	Confident	93.1	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.118	C	C	.	.	B	Isolated β-bridge	trans	-122.7	132.2	-178.2	-175.9	0	0	0	0	110.4	M540 P547 Y550 L594 L597	M540-V544 WeakPolarHBondContact O-CB 3.43Å; M540-V544 PolarHBondContact O-N 3.16Å; M540-V544 HydrophobicContact SD-CG2 4.08Å; V544-P547 HydrophobicContact CB-CG 4.15Å; V544-P547 HydrophobicContact CG1-CG 4.31Å; V544-Y550 HydrophobicContact CG1-CD2 3.84Å; V544-Y550 HydrophobicContact CG1-CE2 4.29Å; V544-L594 HydrophobicContact CG2-CD1 4.4Å; V544-L594 HydrophobicContact CG2-CD2 4.08Å; V544-L597 HydrophobicContact CG2-CD1 4.08Å
545	S	86.9	Confident	93.1	Very high	47 Å²	47	21 Å²	21	33%	0.329	12%	0.118	S	C	.	.	S	Bend	trans	-71.1	-39	-175.9	-54.8	0	0	0	0	113.4	R637 Y638	S545-R637 VanDerWaalsContact OG-CD 3.26Å; S545-R637 WeakPolarHBondContact OG-CD 3.33Å; S545-R637 VanDerWaalsContact OG-CG 3.28Å; S545-R637 WeakPolarHBondContact OG-CG 3.45Å; S545-Y638 WeakPolarHBondContact CB-O 3.22Å; S545-Y638 PolarHBondContact N-O 2.88Å; S545-Y638 PolarHBondContact OG-O 3Å
546	D	89.1	Confident	93.2	Very high	46 Å²	46	22.5 Å²	22.5	25%	0.246	13%	0.125	C	C	.	.			trans	-136.4	78.1	179.6	-175.2	-3.5	0	0	0	109.5	A548 A549 Y550 R640	D546-A548 PolarHBondContact O-N 3.31Å; D546-A549 HydrophobicContact CB-CB 4.19Å; D546-A549 PolarHBondContact O-N 2.89Å; D546-A549 PolarHBondContact OD1-N 3.28Å; D546-A549 WeakPolarHBondContact OD2-CB 3.32Å; D546-Y550 WeakPolarHBondContact O-CD2 3.4Å; D546-R640 HydrophobicContact CB-CB 4.41Å; D546-R640 HydrophobicContact CB-CG 4.19Å; D546-R640 IonicContact OD2-NE 3.95Å; D546-R640 PolarHBondContact OD2-NE 3.22Å
547	P	92.8	Very high	93.2	Very high	21 Å²	21	24 Å²	24	14%	0.136	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-56.8	-36.2	-175.8	-24.3	32.7	0	0	0	113.2	V544 A549 Y550 G551 I552 I554	V544-P547 HydrophobicContact CB-CG 4.15Å; V544-P547 HydrophobicContact CG1-CG 4.31Å; P547-A549 VanDerWaalsContact C-N 3.35Å; P547-A549 PolarHBondContact O-N 3.49Å; P547-Y550 CarbonylContact O-C 3.6Å; P547-Y550 PolarHBondContact O-N 3.26Å; P547-Y550 VanDerWaalsContact O-N 3.08Å; P547-G551 PolarHBondContact O-N 3.14Å; P547-I552 CarbonylContact C-O 3.59Å; P547-I552 HydrophobicContact CB-CB 3.95Å; P547-I552 HydrophobicContact CB-CG2 4.25Å; P547-I552 WeakPolarHBondContact CB-O 3.27Å; P547-I552 PolarHBondContact O-N 3.47Å; P547-I554 HydrophobicContact CB-CD1 4.18Å; P547-I554 HydrophobicContact CG-CD1 4.15Å
548	A	92.4	Very high	93.1	Very high	38 Å²	38	27.6 Å²	27.6	31%	0.314	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-65.7	-36.8	-177.2	0	0	0	0	0	112.3	D546 Y550 G551 I552 Y553 Q587	D546-A548 PolarHBondContact O-N 3.31Å; A548-Y550 PolarHBondContact O-N 3.07Å; A548-G551 PolarHBondContact O-N 3.28Å; A548-I552 WeakPolarHBondContact CA-O 3.39Å; A548-I552 PolarHBondContact N-O 2.89Å; A548-Y553 HydrophobicContact CB-CD1 4.3Å; A548-Y553 HydrophobicContact CB-CE1 4.44Å; A548-Q587 PolarHBondContact O-NE2 3.35Å
549	A	90.3	Very high	93.2	Very high	14 Å²	14	34 Å²	34	12%	0.116	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-62	-28.7	174.3	0	0	0	0	0	113.2	D546 P547 R590 P641 V644	D546-A549 HydrophobicContact CB-CB 4.19Å; D546-A549 PolarHBondContact O-N 2.89Å; D546-A549 PolarHBondContact OD1-N 3.28Å; D546-A549 WeakPolarHBondContact OD2-CB 3.32Å; P547-A549 VanDerWaalsContact C-N 3.35Å; P547-A549 PolarHBondContact O-N 3.49Å; A549-R590 PolarHBondContact O-NH1 3.11Å; A549-P641 HydrophobicContact CB-CG 3.98Å; A549-V644 HydrophobicContact CB-CG2 4.14Å
550	Y	92.4	Very high	93.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-90.4	6.8	173.9	-71	-86.9	0	0	0	113.6	V544 D546 P547 A548 R590 T591 L594 Y638 P639 P641 D678	V544-Y550 HydrophobicContact CG1-CD2 3.84Å; V544-Y550 HydrophobicContact CG1-CE2 4.29Å; D546-Y550 WeakPolarHBondContact O-CD2 3.4Å; P547-Y550 CarbonylContact O-C 3.6Å; P547-Y550 PolarHBondContact O-N 3.26Å; P547-Y550 VanDerWaalsContact O-N 3.08Å; A548-Y550 PolarHBondContact O-N 3.07Å; Y550-R590 HydrophobicContact CD1-CB 3.84Å; Y550-R590 WeakPolarHBondContact CD1-O 3.46Å; Y550-R590 HydrophobicContact CE1-CB 4.4Å; Y550-R590 HydrophobicContact CG-CB 4.5Å; Y550-T591 WeakPolarHBondContact O-CA 3.45Å; Y550-T591 WeakPolarHBondContact O-CB 3.34Å; Y550-T591 PolarHBondContact O-N 3.05Å; Y550-T591 PolarHBondContact O-OG1 3.42Å; Y550-L594 VanDerWaalsContact CB-CD1 3.48Å; Y550-L594 HydrophobicContact CD1-CD1 4.34Å; Y550-L594 HydrophobicContact CD1-CD2 3.92Å; Y550-L594 HydrophobicContact CD1-CG 3.96Å; Y550-L594 HydrophobicContact CE1-CD2 4.38Å; Y550-L594 HydrophobicContact CG-CD1 4.01Å; Y550-L594 HydrophobicContact CG-CD2 4.1Å; Y550-L594 HydrophobicContact CG-CG 4.12Å; Y550-Y638 HydrophobicContact CD1-CE1 4.48Å; Y550-Y638 AromaticContact CE1-CD1 3.9Å; Y550-Y638 HydrophobicContact CE1-CD1 3.9Å; Y550-Y638 AromaticContact CE1-CE1 3.48Å; Y550-Y638 HydrophobicContact CE1-CE1 3.48Å; Y550-Y638 VanDerWaalsContact CE1-CE1 3.48Å; Y550-Y638 AromaticContact CE2-CD1 3.9Å; Y550-Y638 HydrophobicContact CE2-CD1 3.9Å; Y550-Y638 HydrophobicContact CE2-CE1 4.3Å; Y550-Y638 AromaticContact CZ-CD1 3.44Å; Y550-Y638 VanDerWaalsContact CZ-CD1 3.44Å; Y550-Y638 AromaticContact CZ-CE1 3.39Å; Y550-Y638 WeakPolarHBondContact OH-CD1 3.45Å; Y550-Y638 VanDerWaalsContact OH-CE1 3.22Å; Y550-Y638 WeakPolarHBondContact OH-CE1 3.42Å; Y550-P639 WeakPolarHBondContact CE2-O 3.48Å; Y550-P639 PolarHBondContact OH-O 3.13Å; Y550-P641 HydrophobicContact CD1-CG 4.49Å; Y550-P641 HydrophobicContact CD2-CG 4.09Å; Y550-P641 HydrophobicContact CE1-CB 4.48Å; Y550-P641 HydrophobicContact CE1-CG 3.97Å; Y550-P641 HydrophobicContact CE2-CG 3.54Å; Y550-P641 VanDerWaalsContact CZ-CG 3.43Å; Y550-P641 WeakPolarHBondContact OH-CA 3.36Å; Y550-P641 WeakPolarHBondContact OH-CG 3.47Å; Y550-D678 PolarHBondContact OH-OD2 3.05Å; Y550-D678 VanDerWaalsContact OH-OD2 3.14Å
551	G	95.6	Very high	93.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	17.3	179.1	0	0	0	0	0	114.7	P527 S528 P547 A548	P527-G551 CarbonylContact C-O 3.5Å; P527-G551 VanDerWaalsContact CA-O 3.26Å; P527-G551 WeakPolarHBondContact CA-O 3.34Å; P527-G551 WeakPolarHBondContact CB-O 3.45Å; S528-G551 PolarHBondContact N-O 3.02Å; P547-G551 PolarHBondContact O-N 3.14Å; A548-G551 PolarHBondContact O-N 3.28Å
552	I	98	Very high	93.5	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	104.2	171.7	-51.3	-57.2	0	0	0	108.7	T522 T530 F536 M540 P547 A548 I554 T591 L594	T522-I552 HydrophobicContact CG2-CD1 4.29Å; T522-I552 WeakPolarHBondContact OG1-CD1 3.23Å; T530-I552 HydrophobicContact CG2-CG2 4.41Å; F536-I552 HydrophobicContact CE1-CG2 4.15Å; F536-I552 HydrophobicContact CZ-CD1 4.26Å; M540-I552 HydrophobicContact CB-CG2 4.07Å; M540-I552 HydrophobicContact CG-CG2 4.13Å; P547-I552 CarbonylContact C-O 3.59Å; P547-I552 HydrophobicContact CB-CB 3.95Å; P547-I552 HydrophobicContact CB-CG2 4.25Å; P547-I552 WeakPolarHBondContact CB-O 3.27Å; P547-I552 PolarHBondContact O-N 3.47Å; A548-I552 WeakPolarHBondContact CA-O 3.39Å; A548-I552 PolarHBondContact N-O 2.89Å; I552-I554 HydrophobicContact CG2-CG1 4.21Å; I552-T591 HydrophobicContact CD1-CG2 4.4Å; I552-L594 HydrophobicContact CD1-CD1 4.46Å; I552-L594 HydrophobicContact CG1-CD1 3.73Å
553	Y	98.3	Very high	93.9	Very high	18 Å²	18	38.3 Å²	38.3	7%	0.071	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	122	-179.5	-55.9	-86.4	0	0	0	109.9	L504 P527 S528 V529 T530 A548 F572 F576 Q587	L504-Y553 HydrophobicContact CD1-CD2 4.25Å; L504-Y553 HydrophobicContact CD1-CE2 4.13Å; P527-Y553 HydrophobicContact CB-CE2 4.4Å; S528-Y553 PolarHBondContact O-N 2.79Å; V529-Y553 CarbonylContact C-O 3.49Å; V529-Y553 VanDerWaalsContact CA-O 3.29Å; V529-Y553 WeakPolarHBondContact CA-O 3.45Å; V529-Y553 HydrophobicContact CG2-CD2 4.22Å; V529-Y553 HydrophobicContact CG2-CG 4.46Å; T530-Y553 PolarHBondContact N-O 2.7Å; A548-Y553 HydrophobicContact CB-CD1 4.3Å; A548-Y553 HydrophobicContact CB-CE1 4.44Å; Y553-F572 HydrophobicContact CD1-CB 4.33Å; Y553-F572 HydrophobicContact CD1-CD1 4.07Å; Y553-F572 HydrophobicContact CD1-CE1 4.49Å; Y553-F572 HydrophobicContact CD1-CG 4.11Å; Y553-F572 HydrophobicContact CG-CG 4.44Å; Y553-F576 HydrophobicContact CE2-CD2 4.32Å; Y553-Q587 PolarHBondContact OH-NE2 3.49Å; Y553-Q587 PolarHBondContact OH-OE1 3Å
554	I	98.4	Very high	94.5	Very high	26 Å²	26	42.8 Å²	42.8	13%	0.133	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	109.8	-176.4	-52	178.8	0	0	0	108.8	T530 N532 G537 M540 E541 P547 I552	T530-I554 HydrophobicContact CG2-CG1 3.94Å; N532-I554 HydrophobicContact CB-CG2 4.15Å; G537-I554 WeakPolarHBondContact O-CD1 3.4Å; M540-I554 HydrophobicContact CB-CD1 4.39Å; E541-I554 HydrophobicContact CB-CD1 3.8Å; P547-I554 HydrophobicContact CB-CD1 4.18Å; P547-I554 HydrophobicContact CG-CD1 4.15Å; I552-I554 HydrophobicContact CG2-CG1 4.21Å
555	V	98.3	Very high	95	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	132	174.6	179.7	0	0	0	0	108.8	V529 T530 T531 N532 R557 L569 F572	V529-V555 HydrophobicContact CG1-CG2 3.63Å; T530-V555 PolarHBondContact O-N 2.86Å; T531-V555 VanDerWaalsContact CA-O 3.28Å; T531-V555 WeakPolarHBondContact CA-O 3.31Å; T531-V555 HydrophobicContact CG2-CB 4.37Å; N532-V555 PolarHBondContact N-O 3.5Å; N532-V555 VanDerWaalsContact N-O 3.16Å; N532-V555 PolarHBondContact OD1-O 2.78Å; V555-R557 HydrophobicContact CG1-CG 4Å; V555-R557 PolarHBondContact O-N 3.28Å; V555-L569 HydrophobicContact CG2-CB 4.09Å; V555-L569 HydrophobicContact CG2-CD1 4.13Å; V555-F572 HydrophobicContact CG2-CD2 3.92Å; V555-F572 HydrophobicContact CG2-CE2 3.97Å
556	D	97.8	Very high	95.5	Very high	31 Å²	31	40.7 Å²	40.7	17%	0.166	21%	0.213	C	C	.	.			trans	-80.2	103.5	173.3	-176.8	1.4	0	0	0	109.1	N532 R558 F559 K560 S565 Q568	N532-D556 PolarHBondContact ND2-OD1 3.49Å; D556-R558 PolarHBondContact OD1-N 2.62Å; D556-R558 VanDerWaalsContact OD1-N 3.12Å; D556-F559 PolarHBondContact OD1-N 2.86Å; D556-K560 HydrophobicContact CB-CD 3.99Å; D556-K560 HydrophobicContact CB-CG 4.29Å; D556-S565 PolarHBondContact O-OG 2.87Å; D556-Q568 VanDerWaalsContact N-OE1 3.08Å
557	R	96.2	Very high	95.9	Very high	31 Å²	31	42.2 Å²	42.2	12%	0.117	22%	0.221	C	C	.	.			trans	-107.6	-0.9	174.4	-71.3	-161.9	65.4	155.8	-5.7	112.7	I343 P508 T531 N532 L533 V555	I343-R557 VanDerWaalsContact CD1-NH1 3.31Å; P508-R557 WeakPolarHBondContact O-CD 3.31Å; P508-R557 PolarHBondContact O-NH1 2.97Å; T531-R557 HydrophobicContact CG2-CG 3.97Å; N532-R557 PolarHBondContact OD1-N 2.97Å; L533-R557 HydrophobicContact CD1-CB 3.77Å; L533-R557 WeakPolarHBondContact CD1-O 3.44Å; L533-R557 HydrophobicContact CG-CB 4.21Å; V555-R557 HydrophobicContact CG1-CG 4Å; V555-R557 PolarHBondContact O-N 3.28Å
558	R	94.7	Very high	96.2	Very high	77 Å²	77	43.2 Å²	43.2	29%	0.291	22%	0.224	S	C	.	.	S	Bend	trans	-95.6	-41.5	-176.3	-173.4	172	-179.6	175	1.1	112.1	N532 L533 D556	N532-R558 PolarHBondContact OD1-N 3.08Å; L533-R558 HydrophobicContact CD2-CB 3.73Å; L533-R558 HydrophobicContact CD2-CG 3.89Å; L533-R558 HydrophobicContact CG-CB 4.17Å; D556-R558 PolarHBondContact OD1-N 2.62Å; D556-R558 VanDerWaalsContact OD1-N 3.12Å
559	F	95.3	Very high	96.5	Very high	152 Å²	152	41.4 Å²	41.4	67%	0.667	21%	0.209	S	C	*	.	S	Bend	trans	-112.5	4.3	-173.3	-51.8	-67.2	0	0	0	113.1	D556	D556-F559 PolarHBondContact OD1-N 2.86Å
560	K	95.3	Very high	96.9	Very high	80 Å²	80	41 Å²	41	35%	0.348	21%	0.205	S	C	.	.	S	Bend	trans	-123.2	155.5	178.5	-70.1	-174.8	-173.8	173.5	0	111.8	D556 E564 Q568	D556-K560 HydrophobicContact CB-CD 3.99Å; D556-K560 HydrophobicContact CB-CG 4.29Å; K560-E564 HydrophobicContact CB-CB 3.98Å; K560-E564 HydrophobicContact CD-CB 4.08Å; K560-E564 HydrophobicContact CG-CB 4.38Å; K560-Q568 VanDerWaalsContact NZ-OE1 3.16Å
561	S	95.9	Very high	97.2	Very high	56 Å²	56	45.8 Å²	45.8	39%	0.392	23%	0.227	S	C	.	.			trans	-65.3	163.7	171.1	65.4	0	0	0	0	111.9	E563 E564 S565	S561-E563 PolarHBondContact O-N 3.14Å; S561-E564 WeakPolarHBondContact CB-OE2 3.36Å; S561-E564 PolarHBondContact N-OE2 2.77Å; S561-E564 PolarHBondContact O-N 3.08Å; S561-E564 VanDerWaalsContact OG-CG 3.31Å; S561-E564 WeakPolarHBondContact OG-CG 3.37Å; S561-E564 PolarHBondContact OG-N 3.5Å; S561-E564 PolarHBondContact OG-OE2 2.79Å; S561-S565 WeakPolarHBondContact O-CB 3.41Å; S561-S565 PolarHBondContact O-N 3.34Å; S561-S565 PolarHBondContact O-OG 2.94Å
562	A	94.3	Very high	97.3	Very high	65 Å²	65	47.9 Å²	47.9	54%	0.537	24%	0.237	S	C	.	.	H	α-helix	trans	-58.2	-36.7	174.6	0	0	0	0	0	112.4	I343 S565 C566	I343-A562 HydrophobicContact CD1-CB 4.27Å; A562-S565 PolarHBondContact O-N 2.88Å; A562-C566 VanDerWaalsContact O-CB 3.28Å; A562-C566 WeakPolarHBondContact O-CB 3.42Å; A562-C566 PolarHBondContact O-N 3.5Å
563	E	96.8	Very high	97.3	Very high	96 Å²	96	47.8 Å²	47.8	45%	0.449	24%	0.236	S	C	.	.	H	α-helix	trans	-66.1	-48.2	178.8	178.7	54.2	-144.2	0	0	111.8	R350 S561 S565 C566 N567	R350-E563 IonicContact CZ-OE1 2.87Å; R350-E563 VanDerWaalsContact CZ-OE1 3.27Å; R350-E563 IonicContact CZ-OE2 2.64Å; R350-E563 VanDerWaalsContact NH1-CD 3.33Å; R350-E563 IonicContact NH1-OE1 3.03Å; R350-E563 PolarHBondContact NH1-OE1 3.15Å; R350-E563 IonicContact NH1-OE2 3.34Å; R350-E563 PolarHBondContact NH1-OE2 3.48Å; R350-E563 VanDerWaalsContact NH2-CD 3.31Å; R350-E563 IonicContact NH2-OE1 3.43Å; R350-E563 PolarHBondContact NH2-OE1 3.21Å; R350-E563 IonicContact NH2-OE2 3.23Å; R350-E563 PolarHBondContact NH2-OE2 2.59Å; S561-E563 PolarHBondContact O-N 3.14Å; E563-S565 VanDerWaalsContact C-N 3.33Å; E563-S565 PolarHBondContact O-N 2.81Å; E563-C566 WeakPolarHBondContact O-CB 3.29Å; E563-C566 PolarHBondContact O-N 2.75Å; E563-N567 PolarHBondContact O-N 3.24Å; E563-N567 PolarHBondContact O-ND2 3.38Å; E563-N567 VanDerWaalsContact O-ND2 3.13Å; E563-N567 PolarHBondContact OE1-ND2 3.28Å
564	E	98	Very high	97.3	Very high	99 Å²	99	47.6 Å²	47.6	46%	0.463	24%	0.236	S	C	.	.	H	α-helix	trans	-65.9	-37.7	176.8	-68.7	165	128.2	0	0	111.8	K560 S561 C566 N567 Q568	K560-E564 HydrophobicContact CB-CB 3.98Å; K560-E564 HydrophobicContact CD-CB 4.08Å; K560-E564 HydrophobicContact CG-CB 4.38Å; S561-E564 WeakPolarHBondContact CB-OE2 3.36Å; S561-E564 PolarHBondContact N-OE2 2.77Å; S561-E564 PolarHBondContact O-N 3.08Å; S561-E564 VanDerWaalsContact OG-CG 3.31Å; S561-E564 WeakPolarHBondContact OG-CG 3.37Å; S561-E564 PolarHBondContact OG-N 3.5Å; S561-E564 PolarHBondContact OG-OE2 2.79Å; E564-C566 VanDerWaalsContact C-N 3.35Å; E564-N567 PolarHBondContact O-N 2.77Å; E564-Q568 WeakPolarHBondContact O-CB 3.35Å; E564-Q568 PolarHBondContact O-N 2.81Å
565	S	97.9	Very high	97.2	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.014	24%	0.244	C	C	.	.	H	α-helix	trans	-61.2	-44	173.9	-58.1	0	0	0	0	111.2	D556 S561 A562 E563 Q568 L569	D556-S565 PolarHBondContact O-OG 2.87Å; S561-S565 WeakPolarHBondContact O-CB 3.41Å; S561-S565 PolarHBondContact O-N 3.34Å; S561-S565 PolarHBondContact O-OG 2.94Å; A562-S565 PolarHBondContact O-N 2.88Å; E563-S565 VanDerWaalsContact C-N 3.33Å; E563-S565 PolarHBondContact O-N 2.81Å; S565-Q568 PolarHBondContact O-N 2.66Å; S565-L569 WeakPolarHBondContact O-CB 3.48Å; S565-L569 PolarHBondContact O-N 3.25Å
566	C	97.8	Very high	97.2	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.014	25%	0.245	C	C	.	.	H	α-helix	trans	-64.4	-41.6	176.9	-176.6	0	0	0	0	111.8	I343 S347 R350 A562 E563 E564 L569 T570	I343-C566 HydrophobicContact CG2-CB 4.42Å; S347-C566 PolarHBondContact N-SG 2.96Å; S347-C566 PolarHBondContact OG-O 3.29Å; S347-C566 PolarHBondContact OG-SG 2.86Å; R350-C566 PolarHBondContact NE-SG 3.24Å; R350-C566 VanDerWaalsContact NE-SG 3.44Å; R350-C566 PolarHBondContact NH1-SG 2.96Å; A562-C566 VanDerWaalsContact O-CB 3.28Å; A562-C566 WeakPolarHBondContact O-CB 3.42Å; A562-C566 PolarHBondContact O-N 3.5Å; E563-C566 WeakPolarHBondContact O-CB 3.29Å; E563-C566 PolarHBondContact O-N 2.75Å; E564-C566 VanDerWaalsContact C-N 3.35Å; C566-L569 PolarHBondContact O-N 3.5Å; C566-T570 WeakPolarHBondContact O-CB 3.36Å; C566-T570 PolarHBondContact O-N 3.28Å; C566-T570 PolarHBondContact O-OG1 2.98Å
567	N	98.2	Very high	97.1	Very high	78 Å²	78	47.3 Å²	47.3	42%	0.417	24%	0.238	S	C	.	.	H	α-helix	trans	-64.1	-42.4	174.2	-73.3	-37.9	0	0	0	112.3	R350 E563 E564 T570 Q571	R350-N567 PolarHBondContact NH1-ND2 3.16Å; R350-N567 PolarHBondContact NH1-OD1 3.27Å; E563-N567 PolarHBondContact O-N 3.24Å; E563-N567 PolarHBondContact O-ND2 3.38Å; E563-N567 VanDerWaalsContact O-ND2 3.13Å; E563-N567 PolarHBondContact OE1-ND2 3.28Å; E564-N567 PolarHBondContact O-N 2.77Å; N567-T570 WeakPolarHBondContact O-CB 3.46Å; N567-T570 PolarHBondContact O-N 2.92Å; N567-Q571 WeakPolarHBondContact O-CB 3.48Å; N567-Q571 PolarHBondContact O-N 3.08Å
568	Q	98.5	Very high	97	Very high	42 Å²	42	51.1 Å²	51.1	20%	0.196	26%	0.257	C	S	.	.	H	α-helix	trans	-63.2	-45.8	175.9	-174.9	176.4	10.5	0	0	111.8	D556 K560 E564 S565 T570 Q571 F572	D556-Q568 VanDerWaalsContact N-OE1 3.08Å; K560-Q568 VanDerWaalsContact NZ-OE1 3.16Å; E564-Q568 WeakPolarHBondContact O-CB 3.35Å; E564-Q568 PolarHBondContact O-N 2.81Å; S565-Q568 PolarHBondContact O-N 2.66Å; Q568-T570 VanDerWaalsContact C-N 3.33Å; Q568-T570 PolarHBondContact O-N 2.97Å; Q568-Q571 PolarHBondContact O-N 3.18Å; Q568-F572 HydrophobicContact CG-CD2 4.32Å; Q568-F572 HydrophobicContact CG-CE1 4.49Å; Q568-F572 HydrophobicContact CG-CE2 3.82Å; Q568-F572 HydrophobicContact CG-CZ 3.92Å; Q568-F572 PolarHBondContact O-N 3.3Å
569	L	98.6	Very high	97	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-59.7	-44.7	175.9	177	55.9	0	0	0	111.4	I343 F344 S347 V506 P508 V529 V555 S565 C566 Q571 F572 M573	I343-L569 HydrophobicContact CG2-CD2 3.9Å; F344-L569 HydrophobicContact CD2-CD2 4.42Å; S347-L569 WeakPolarHBondContact OG-CD2 3.25Å; V506-L569 HydrophobicContact CG1-CD1 3.84Å; V506-L569 HydrophobicContact CG1-CD2 4.44Å; P508-L569 HydrophobicContact CB-CD2 3.78Å; P508-L569 HydrophobicContact CG-CD2 3.9Å; V529-L569 HydrophobicContact CB-CD1 4.35Å; V529-L569 HydrophobicContact CG1-CD1 3.67Å; V529-L569 HydrophobicContact CG2-CD1 4.44Å; V555-L569 HydrophobicContact CG2-CB 4.09Å; V555-L569 HydrophobicContact CG2-CD1 4.13Å; S565-L569 WeakPolarHBondContact O-CB 3.48Å; S565-L569 PolarHBondContact O-N 3.25Å; C566-L569 PolarHBondContact O-N 3.5Å; L569-Q571 VanDerWaalsContact C-N 3.32Å; L569-Q571 PolarHBondContact O-N 2.8Å; L569-F572 PolarHBondContact O-N 3.44Å; L569-M573 HydrophobicContact CD1-CG 4.38Å; L569-M573 HydrophobicContact CG-CE 4.14Å; L569-M573 WeakPolarHBondContact O-CG 3.28Å; L569-M573 PolarHBondContact O-N 3.16Å
570	T	98.6	Very high	97	Very high	5 Å²	5	44.6 Å²	44.6	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-57.3	-46	175.1	-58.3	0	0	0	0	111.1	S347 R350 L351 L354 C566 N567 Q568 F572 M573 F574	S347-T570 WeakPolarHBondContact CA-OG1 3.48Å; S347-T570 WeakPolarHBondContact CB-OG1 3.42Å; S347-T570 PolarHBondContact O-OG1 3.46Å; R350-T570 HydrophobicContact CB-CG2 3.66Å; L351-T570 HydrophobicContact CB-CG2 4.5Å; L354-T570 HydrophobicContact CD1-CG2 3.71Å; C566-T570 WeakPolarHBondContact O-CB 3.36Å; C566-T570 PolarHBondContact O-N 3.28Å; C566-T570 PolarHBondContact O-OG1 2.98Å; N567-T570 WeakPolarHBondContact O-CB 3.46Å; N567-T570 PolarHBondContact O-N 2.92Å; Q568-T570 VanDerWaalsContact C-N 3.33Å; Q568-T570 PolarHBondContact O-N 2.97Å; T570-F572 PolarHBondContact O-N 3.16Å; T570-M573 PolarHBondContact O-N 3.25Å; T570-F574 WeakPolarHBondContact O-CB 3.4Å; T570-F574 PolarHBondContact O-N 2.81Å
571	Q	98.2	Very high	96.9	Very high	100 Å²	100	48.1 Å²	48.1	47%	0.467	25%	0.249	S	C	.	.	H	α-helix	trans	-64.7	-40.5	-179.5	-174.2	59.1	28.1	0	0	112.4	N567 Q568 L569 F574 S575	N567-Q571 WeakPolarHBondContact O-CB 3.48Å; N567-Q571 PolarHBondContact O-N 3.08Å; Q568-Q571 PolarHBondContact O-N 3.18Å; L569-Q571 VanDerWaalsContact C-N 3.32Å; L569-Q571 PolarHBondContact O-N 2.8Å; Q571-F574 PolarHBondContact O-N 3.39Å; Q571-S575 PolarHBondContact NE2-OG 3.23Å; Q571-S575 WeakPolarHBondContact O-CB 3.27Å; Q571-S575 PolarHBondContact O-N 3.21Å; Q571-S575 PolarHBondContact O-OG 3.19Å
572	F	98.3	Very high	96.7	Very high	44 Å²	44	52 Å²	52	19%	0.193	26%	0.255	C	S	.	.	H	α-helix	trans	-61	-48.1	174	-69.3	-27.4	0	0	0	111.8	V529 Y553 V555 Q568 L569 T570 F574 S575 F576	V529-F572 HydrophobicContact CG1-CD2 4.43Å; Y553-F572 HydrophobicContact CD1-CB 4.33Å; Y553-F572 HydrophobicContact CD1-CD1 4.07Å; Y553-F572 HydrophobicContact CD1-CE1 4.49Å; Y553-F572 HydrophobicContact CD1-CG 4.11Å; Y553-F572 HydrophobicContact CG-CG 4.44Å; V555-F572 HydrophobicContact CG2-CD2 3.92Å; V555-F572 HydrophobicContact CG2-CE2 3.97Å; Q568-F572 HydrophobicContact CG-CD2 4.32Å; Q568-F572 HydrophobicContact CG-CE1 4.49Å; Q568-F572 HydrophobicContact CG-CE2 3.82Å; Q568-F572 HydrophobicContact CG-CZ 3.92Å; Q568-F572 PolarHBondContact O-N 3.3Å; L569-F572 PolarHBondContact O-N 3.44Å; T570-F572 PolarHBondContact O-N 3.16Å; F572-F574 VanDerWaalsContact C-N 3.35Å; F572-F574 PolarHBondContact O-N 3.03Å; F572-S575 PolarHBondContact O-N 3.46Å; F572-F576 WeakPolarHBondContact O-CB 3.19Å; F572-F576 PolarHBondContact O-N 2.92Å
573	M	98.4	Very high	96.7	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62.7	-41.4	177.5	-68.4	-172.4	-63.1	0	0	112.4	F328 F344 S347 L348 L351 L569 T570 F576 C577	F328-M573 HydrophobicContact CD2-SD 4.27Å; F328-M573 HydrophobicContact CE2-CB 4.09Å; F328-M573 HydrophobicContact CE2-CG 4.12Å; F328-M573 HydrophobicContact CE2-SD 4.28Å; F344-M573 HydrophobicContact CD2-SD 4.28Å; F344-M573 HydrophobicContact CE2-SD 3.73Å; S347-M573 VanDerWaalsContact CB-CE 3.47Å; L348-M573 HydrophobicContact CD2-CE 4.26Å; L348-M573 HydrophobicContact CD2-SD 3.98Å; L351-M573 HydrophobicContact CB-CE 4.33Å; L351-M573 HydrophobicContact CD1-CB 4.27Å; L351-M573 HydrophobicContact CD2-CB 3.87Å; L351-M573 HydrophobicContact CD2-CE 4.17Å; L351-M573 HydrophobicContact CD2-SD 4.13Å; L569-M573 HydrophobicContact CD1-CG 4.38Å; L569-M573 HydrophobicContact CG-CE 4.14Å; L569-M573 WeakPolarHBondContact O-CG 3.28Å; L569-M573 PolarHBondContact O-N 3.16Å; T570-M573 PolarHBondContact O-N 3.25Å; M573-F576 PolarHBondContact O-N 2.94Å; M573-C577 PolarHBondContact O-N 3.43Å; M573-C577 PolarHBondContact O-SG 3.3Å
574	F	97.9	Very high	96.6	Very high	13 Å²	13	50.6 Å²	50.6	6%	0.057	24%	0.237	C	C	.	.	H	α-helix	trans	-65.9	-44.2	179.5	-177	-110.3	0	0	0	111.4	L351 L354 L355 H358 T570 Q571 F572 F576 C577 Q578	L351-F574 HydrophobicContact CD1-CB 3.91Å; L351-F574 HydrophobicContact CD1-CD2 4.12Å; L354-F574 HydrophobicContact CB-CD2 3.87Å; L354-F574 HydrophobicContact CB-CE2 3.89Å; L354-F574 HydrophobicContact CD1-CB 4.3Å; L354-F574 HydrophobicContact CD1-CD2 4.25Å; L354-F574 HydrophobicContact CD1-CG 4.12Å; L355-F574 HydrophobicContact CD2-CD2 4.2Å; L355-F574 HydrophobicContact CD2-CE2 4.17Å; H358-F574 AromaticContact CD2-CZ 3.51Å; H358-F574 AromaticContact CG-CZ 3.89Å; H358-F574 AromaticContact NE2-CZ 3.79Å; T570-F574 WeakPolarHBondContact O-CB 3.4Å; T570-F574 PolarHBondContact O-N 2.81Å; Q571-F574 PolarHBondContact O-N 3.39Å; F572-F574 VanDerWaalsContact C-N 3.35Å; F572-F574 PolarHBondContact O-N 3.03Å; F574-F576 VanDerWaalsContact C-N 3.31Å; F574-F576 PolarHBondContact O-N 2.98Å; F574-C577 WeakPolarHBondContact O-CB 3.32Å; F574-C577 PolarHBondContact O-N 3.34Å; F574-C577 VanDerWaalsContact O-N 3.12Å; F574-Q578 VanDerWaalsContact CE1-NE2 3.26Å; F574-Q578 WeakPolarHBondContact O-CG 3.35Å; F574-Q578 PolarHBondContact O-N 2.89Å
575	S	96.6	Very high	96.4	Very high	45 Å²	45	49 Å²	49	32%	0.315	23%	0.231	S	C	.	.	H	α-helix	trans	-62.6	-39.1	176.2	-52.7	0	0	0	0	111.4	Q571 F572 C577 Q578	Q571-S575 PolarHBondContact NE2-OG 3.23Å; Q571-S575 WeakPolarHBondContact O-CB 3.27Å; Q571-S575 PolarHBondContact O-N 3.21Å; Q571-S575 PolarHBondContact O-OG 3.19Å; F572-S575 PolarHBondContact O-N 3.46Å; S575-C577 VanDerWaalsContact C-N 3.34Å; S575-C577 PolarHBondContact O-N 2.69Å; S575-Q578 PolarHBondContact O-N 3.39Å
576	F	97.3	Very high	96	Very high	3 Å²	3	50.3 Å²	50.3	1%	0.013	24%	0.237	C	C	.	.	H	α-helix	trans	-63.4	-38.7	173.7	-172.6	-90.1	0	0	0	112.4	L326 F328 N503 L504 P527 Y553 F572 M573 F574 Q578 Q579 R584 Q587	L326-F576 HydrophobicContact CD1-CD1 3.98Å; L326-F576 HydrophobicContact CD1-CE1 4Å; F328-F576 AromaticContact CE1-CD1 3.71Å; F328-F576 HydrophobicContact CE1-CD1 3.71Å; F328-F576 AromaticContact CE1-CE1 3.82Å; F328-F576 HydrophobicContact CE1-CE1 3.82Å; F328-F576 AromaticContact CZ-CD1 3.8Å; F328-F576 HydrophobicContact CZ-CD1 3.8Å; F328-F576 HydrophobicContact CZ-CE1 4.38Å; N503-F576 HydrophobicContact CB-CE1 4.1Å; N503-F576 HydrophobicContact CB-CZ 4.31Å; N503-F576 VanDerWaalsContact O-CZ 3.28Å; N503-F576 WeakPolarHBondContact O-CZ 3.27Å; L504-F576 HydrophobicContact CB-CD1 4.48Å; L504-F576 HydrophobicContact CB-CE1 4.13Å; L504-F576 HydrophobicContact CB-CZ 4.25Å; L504-F576 HydrophobicContact CD1-CD2 4.3Å; L504-F576 HydrophobicContact CD1-CE2 4.27Å; L504-F576 HydrophobicContact CD2-CD1 4.31Å; L504-F576 HydrophobicContact CD2-CG 4.27Å; P527-F576 HydrophobicContact CB-CE2 4.21Å; P527-F576 HydrophobicContact CG-CE2 4.25Å; Y553-F576 HydrophobicContact CE2-CD2 4.32Å; F572-F576 WeakPolarHBondContact O-CB 3.19Å; F572-F576 PolarHBondContact O-N 2.92Å; M573-F576 PolarHBondContact O-N 2.94Å; F574-F576 VanDerWaalsContact C-N 3.31Å; F574-F576 PolarHBondContact O-N 2.98Å; F576-Q578 PolarHBondContact O-N 3.27Å; F576-Q579 WeakPolarHBondContact O-CB 3.38Å; F576-Q579 PolarHBondContact O-N 3.47Å; F576-R584 HydrophobicContact CZ-CG 4.28Å; F576-Q587 VanDerWaalsContact CE2-OE1 3.29Å
577	C	96.7	Very high	95.8	Very high	3 Å²	3	50.8 Å²	50.8	2%	0.02	24%	0.239	C	C	.	.	H	α-helix	trans	-64.8	-23.2	175.2	-67	0	0	0	0	113.1	L355 L362 M573 F574 S575 Q579	L355-C577 HydrophobicContact CD2-CB 4.23Å; L362-C577 HydrophobicContact CD1-CB 4.39Å; L362-C577 VanDerWaalsContact CD1-O 3.27Å; L362-C577 WeakPolarHBondContact CD1-O 3.2Å; L362-C577 HydrophobicContact CD2-CB 4.01Å; M573-C577 PolarHBondContact O-N 3.43Å; M573-C577 PolarHBondContact O-SG 3.3Å; F574-C577 WeakPolarHBondContact O-CB 3.32Å; F574-C577 PolarHBondContact O-N 3.34Å; F574-C577 VanDerWaalsContact O-N 3.12Å; S575-C577 VanDerWaalsContact C-N 3.34Å; S575-C577 PolarHBondContact O-N 2.69Å; C577-Q579 VanDerWaalsContact C-N 3.31Å
578	Q	94.2	Very high	95.6	Very high	112 Å²	112	47.9 Å²	47.9	52%	0.523	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-11.1	178	-67.8	175.7	-38.7	0	0	113.5	F574 S575 F576	F574-Q578 VanDerWaalsContact CE1-NE2 3.26Å; F574-Q578 WeakPolarHBondContact O-CG 3.35Å; F574-Q578 PolarHBondContact O-N 2.89Å; S575-Q578 PolarHBondContact O-N 3.39Å; F576-Q578 PolarHBondContact O-N 3.27Å
579	Q	94.8	Very high	95.2	Very high	37 Å²	37	46.4 Å²	46.4	17%	0.173	22%	0.216	C	C	.	.			trans	-67.8	147.9	-178.6	-65.6	-179.7	-9.1	0	0	112.3	F576 C577 Q583 R584	F576-Q579 WeakPolarHBondContact O-CB 3.38Å; F576-Q579 PolarHBondContact O-N 3.47Å; C577-Q579 VanDerWaalsContact C-N 3.31Å; Q579-Q583 VanDerWaalsContact CA-OE1 3.28Å; Q579-Q583 HydrophobicContact CB-CB 4.14Å; Q579-R584 HydrophobicContact CB-CG 3.98Å; Q579-R584 PolarHBondContact O-NH1 2.69Å; Q579-R584 VanDerWaalsContact OE1-CG 3.3Å
580	S	94.7	Very high	94.8	Very high	55 Å²	55	47.8 Å²	47.8	39%	0.385	22%	0.221	S	C	.	.			trans	-75.6	168.7	168.8	81.2	0	0	0	0	111.8	R582 Q583 R584	S580-R582 VanDerWaalsContact C-N 3.3Å; S580-R582 PolarHBondContact O-N 2.64Å; S580-R582 PolarHBondContact OG-N 3.32Å; S580-Q583 PolarHBondContact O-N 2.82Å; S580-Q583 WeakPolarHBondContact OG-CG 3.33Å; S580-Q583 PolarHBondContact OG-N 2.85Å; S580-Q583 VanDerWaalsContact OG-N 3.14Å; S580-R584 PolarHBondContact O-N 2.9Å
581	R	93	Very high	94.5	Very high	153 Å²	153	47.5 Å²	47.5	58%	0.577	22%	0.219	S	C	*	.	H	α-helix	trans	-60.7	-40.9	173.9	-175	-178.3	-72.9	-171.6	-3.9	111.3	R584 I585	R581-R584 PolarHBondContact O-N 3.35Å; R581-I585 HydrophobicContact CG-CD1 4.19Å; R581-I585 WeakPolarHBondContact O-CG1 3.43Å; R581-I585 PolarHBondContact O-N 3.35Å; R581-I585 VanDerWaalsContact O-N 3.07Å
582	R	92.3	Very high	94.1	Very high	137 Å²	137	43.9 Å²	43.9	52%	0.517	20%	0.202	S	C	.	.	H	α-helix	trans	-62.7	-48.5	177.4	-175.4	174.9	177.8	175.6	-3	111	S580 R584 I585 I586	S580-R582 VanDerWaalsContact C-N 3.3Å; S580-R582 PolarHBondContact O-N 2.64Å; S580-R582 PolarHBondContact OG-N 3.32Å; R582-R584 VanDerWaalsContact C-N 3.32Å; R582-R584 PolarHBondContact O-N 2.87Å; R582-I585 PolarHBondContact O-N 3.46Å; R582-I585 VanDerWaalsContact O-N 3.11Å; R582-I586 HydrophobicContact CG-CD1 4.11Å; R582-I586 WeakPolarHBondContact O-CG1 3.47Å; R582-I586 PolarHBondContact O-N 3.46Å
583	Q	93.8	Very high	93.5	Very high	105 Å²	105	42.5 Å²	42.5	49%	0.491	20%	0.196	S	C	.	.	H	α-helix	trans	-59.1	-41.5	177.1	-73.6	170.5	-24	0	0	112.3	Q579 S580 I586 Q587	Q579-Q583 VanDerWaalsContact CA-OE1 3.28Å; Q579-Q583 HydrophobicContact CB-CB 4.14Å; S580-Q583 PolarHBondContact O-N 2.82Å; S580-Q583 WeakPolarHBondContact OG-CG 3.33Å; S580-Q583 PolarHBondContact OG-N 2.85Å; S580-Q583 VanDerWaalsContact OG-N 3.14Å; Q583-I586 PolarHBondContact O-N 3.31Å; Q583-Q587 WeakPolarHBondContact O-CB 3.29Å; Q583-Q587 PolarHBondContact O-N 2.93Å
584	R	95.1	Very high	93.1	Very high	28 Å²	28	42.5 Å²	42.5	11%	0.106	20%	0.196	C	C	.	.	H	α-helix	trans	-64.8	-37.5	175	-76.8	-169.4	-65.1	-83.4	-4	113.3	F576 Q579 S580 R581 R582 R588	F576-R584 HydrophobicContact CZ-CG 4.28Å; Q579-R584 HydrophobicContact CB-CG 3.98Å; Q579-R584 PolarHBondContact O-NH1 2.69Å; Q579-R584 VanDerWaalsContact OE1-CG 3.3Å; S580-R584 PolarHBondContact O-N 2.9Å; R581-R584 PolarHBondContact O-N 3.35Å; R582-R584 VanDerWaalsContact C-N 3.32Å; R582-R584 PolarHBondContact O-N 2.87Å; R584-R588 WeakPolarHBondContact O-CG 3.29Å; R584-R588 PolarHBondContact O-N 3.27Å; R584-R588 PolarHBondContact O-NH1 3.45Å
585	I	92.5	Very high	92.5	Very high	65 Å²	65	42 Å²	42	33%	0.333	19%	0.194	S	C	.	.	H	α-helix	trans	-63.4	-49.9	175.9	-69.8	160	0	0	0	109.5	Q296 R581 R582 Q587 R588 N589	Q296-I585 PolarHBondContact NE2-O 2.72Å; R581-I585 HydrophobicContact CG-CD1 4.19Å; R581-I585 WeakPolarHBondContact O-CG1 3.43Å; R581-I585 PolarHBondContact O-N 3.35Å; R581-I585 VanDerWaalsContact O-N 3.07Å; R582-I585 PolarHBondContact O-N 3.46Å; R582-I585 VanDerWaalsContact O-N 3.11Å; I585-Q587 VanDerWaalsContact C-N 3.34Å; I585-Q587 PolarHBondContact O-N 2.99Å; I585-R588 PolarHBondContact O-N 3.06Å; I585-N589 PolarHBondContact O-N 2.94Å; I585-N589 PolarHBondContact O-OD1 3.4Å
586	I	91.3	Very high	91.9	Very high	29 Å²	29	41.7 Å²	41.7	15%	0.149	19%	0.189	C	C	.	.	H	α-helix	trans	-57.3	-48.3	177.6	-65.9	167.2	0	0	0	110.2	R582 Q583 R588 N589 R590 Y669	R582-I586 HydrophobicContact CG-CD1 4.11Å; R582-I586 WeakPolarHBondContact O-CG1 3.47Å; R582-I586 PolarHBondContact O-N 3.46Å; Q583-I586 PolarHBondContact O-N 3.31Å; I586-R588 VanDerWaalsContact C-N 3.33Å; I586-R588 PolarHBondContact O-N 3.39Å; I586-N589 WeakPolarHBondContact O-CB 3.5Å; I586-N589 PolarHBondContact O-N 3.38Å; I586-N589 VanDerWaalsContact O-N 3.17Å; I586-R590 HydrophobicContact CG2-CG 4.32Å; I586-R590 WeakPolarHBondContact O-CG 3.49Å; I586-R590 PolarHBondContact O-N 3.43Å; I586-Y669 HydrophobicContact CD1-CD2 4.4Å; I586-Y669 HydrophobicContact CG1-CE2 4.35Å; I586-Y669 HydrophobicContact CG2-CE2 4.01Å
587	Q	93.1	Very high	91.5	Very high	13 Å²	13	41.7 Å²	41.7	6%	0.061	19%	0.189	C	C	.	.	H	α-helix	trans	-60.1	-41.2	179.1	-174.3	167.3	73.3	0	0	112.3	P527 A548 Y553 F576 Q583 I585 N589 R590 T591	P527-Q587 HydrophobicContact CG-CG 4Å; A548-Q587 PolarHBondContact O-NE2 3.35Å; Y553-Q587 PolarHBondContact OH-NE2 3.49Å; Y553-Q587 PolarHBondContact OH-OE1 3Å; F576-Q587 VanDerWaalsContact CE2-OE1 3.29Å; Q583-Q587 WeakPolarHBondContact O-CB 3.29Å; Q583-Q587 PolarHBondContact O-N 2.93Å; I585-Q587 VanDerWaalsContact C-N 3.34Å; I585-Q587 PolarHBondContact O-N 2.99Å; Q587-N589 PolarHBondContact O-N 3.34Å; Q587-R590 WeakPolarHBondContact O-CB 3.23Å; Q587-R590 PolarHBondContact O-N 3.25Å; Q587-R590 VanDerWaalsContact O-N 3.16Å; Q587-T591 PolarHBondContact O-N 2.78Å; Q587-T591 PolarHBondContact O-OG1 3.29Å
588	R	93.9	Very high	91.2	Very high	17 Å²	17	41.6 Å²	41.6	6%	0.064	19%	0.188	C	C	.	.	H	α-helix	trans	-61.1	-42.5	174.8	-75.9	-162.2	-59.9	-74.8	3.6	112.7	F295 Q296 G525 P527 R584 I585 I586 R590 T591 E592	F295-R588 HydrophobicContact CE2-CB 4.22Å; Q296-R588 VanDerWaalsContact OE1-CZ 3.29Å; G525-R588 WeakPolarHBondContact O-CA 3.43Å; G525-R588 WeakPolarHBondContact O-CB 3.23Å; G525-R588 WeakPolarHBondContact O-CG 3.42Å; P527-R588 HydrophobicContact CG-CG 4.46Å; R584-R588 WeakPolarHBondContact O-CG 3.29Å; R584-R588 PolarHBondContact O-N 3.27Å; R584-R588 PolarHBondContact O-NH1 3.45Å; I585-R588 PolarHBondContact O-N 3.06Å; I586-R588 VanDerWaalsContact C-N 3.33Å; I586-R588 PolarHBondContact O-N 3.39Å; R588-R590 VanDerWaalsContact C-N 3.31Å; R588-R590 PolarHBondContact O-N 3.43Å; R588-T591 PolarHBondContact O-N 3.33Å; R588-E592 PolarHBondContact O-N 3.31Å
589	N	89.9	Confident	91	Very high	10 Å²	10	37.3 Å²	37.3	5%	0.053	17%	0.169	C	C	.	.	H	α-helix	trans	-60.3	-42.4	173.4	-69.2	3.1	0	0	0	111	F295 Q296 I585 I586 Q587 E592 R593 E671	F295-N589 VanDerWaalsContact CZ-OD1 3.25Å; F295-N589 WeakPolarHBondContact CZ-OD1 3.06Å; Q296-N589 PolarHBondContact NE2-OD1 3.32Å; I585-N589 PolarHBondContact O-N 2.94Å; I585-N589 PolarHBondContact O-OD1 3.4Å; I586-N589 WeakPolarHBondContact O-CB 3.5Å; I586-N589 PolarHBondContact O-N 3.38Å; I586-N589 VanDerWaalsContact O-N 3.17Å; Q587-N589 PolarHBondContact O-N 3.34Å; N589-E592 PolarHBondContact O-N 3.19Å; N589-R593 WeakPolarHBondContact O-CG 3.38Å; N589-R593 PolarHBondContact O-N 3.11Å; N589-E671 VanDerWaalsContact CB-OE1 3.27Å; N589-E671 WeakPolarHBondContact CB-OE1 3.48Å; N589-E671 PolarHBondContact ND2-OE1 2.8Å; N589-E671 VanDerWaalsContact ND2-OE1 3.08Å; N589-E671 PolarHBondContact ND2-OE2 3Å
590	R	90.1	Very high	90.7	Very high	29 Å²	29	35.6 Å²	35.6	11%	0.109	16%	0.161	C	C	.	.	H	α-helix	trans	-60.9	-46.8	174.2	-50.3	-143.6	-177.8	113.9	-2.8	111.6	A549 Y550 I586 Q587 R588 E592 R593 S643 E674	A549-R590 PolarHBondContact O-NH1 3.11Å; Y550-R590 HydrophobicContact CD1-CB 3.84Å; Y550-R590 WeakPolarHBondContact CD1-O 3.46Å; Y550-R590 HydrophobicContact CE1-CB 4.4Å; Y550-R590 HydrophobicContact CG-CB 4.5Å; I586-R590 HydrophobicContact CG2-CG 4.32Å; I586-R590 WeakPolarHBondContact O-CG 3.49Å; I586-R590 PolarHBondContact O-N 3.43Å; Q587-R590 WeakPolarHBondContact O-CB 3.23Å; Q587-R590 PolarHBondContact O-N 3.25Å; Q587-R590 VanDerWaalsContact O-N 3.16Å; R588-R590 VanDerWaalsContact C-N 3.31Å; R588-R590 PolarHBondContact O-N 3.43Å; R590-E592 PolarHBondContact O-N 2.91Å; R590-R593 VanDerWaalsContact CD-NH2 3.3Å; R590-R593 WeakPolarHBondContact O-CB 3.39Å; R590-R593 PolarHBondContact O-N 3.07Å; R590-S643 PolarHBondContact NE-OG 3.18Å; R590-S643 PolarHBondContact NH2-OG 2.98Å; R590-E674 IonicContact NE-OE1 3.99Å; R590-E674 PolarHBondContact NE-OE1 2.84Å
591	T	92.8	Very high	90.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-59.3	-44.8	179.3	-55.2	0	0	0	0	112.2	T522 Y550 I552 Q587 R588 R593 L594	T522-T591 HydrophobicContact CG2-CG2 4.09Å; T522-T591 WeakPolarHBondContact CG2-O 2.99Å; Y550-T591 WeakPolarHBondContact O-CA 3.45Å; Y550-T591 WeakPolarHBondContact O-CB 3.34Å; Y550-T591 PolarHBondContact O-N 3.05Å; Y550-T591 PolarHBondContact O-OG1 3.42Å; I552-T591 HydrophobicContact CD1-CG2 4.4Å; Q587-T591 PolarHBondContact O-N 2.78Å; Q587-T591 PolarHBondContact O-OG1 3.29Å; R588-T591 PolarHBondContact O-N 3.33Å; T591-R593 VanDerWaalsContact C-N 3.27Å; T591-R593 PolarHBondContact O-N 3.32Å; T591-L594 WeakPolarHBondContact O-CB 3.29Å; T591-L594 PolarHBondContact O-N 3.42Å; T591-L594 VanDerWaalsContact O-N 3.11Å
592	E	89.6	Confident	89.9	Confident	23 Å²	23	34.5 Å²	34.5	11%	0.107	15%	0.148	C	C	.	.	H	α-helix	trans	-60.7	-36.4	-179.5	-169.2	-78.5	158.8	0	0	112.1	F295 R588 N589 R590 L594 S595	F295-E592 HydrophobicContact CD1-CG 4.12Å; F295-E592 HydrophobicContact CE1-CB 4.21Å; F295-E592 HydrophobicContact CE1-CG 4.02Å; F295-E592 HydrophobicContact CE2-CB 4.31Å; F295-E592 HydrophobicContact CG-CG 4.47Å; F295-E592 HydrophobicContact CZ-CB 3.98Å; F295-E592 HydrophobicContact CZ-CG 4.24Å; R588-E592 PolarHBondContact O-N 3.31Å; N589-E592 PolarHBondContact O-N 3.19Å; R590-E592 PolarHBondContact O-N 2.91Å; E592-L594 PolarHBondContact O-N 2.97Å; E592-L594 VanDerWaalsContact O-N 3.13Å; E592-S595 WeakPolarHBondContact O-CB 3.43Å; E592-S595 PolarHBondContact O-N 3.32Å; E592-S595 PolarHBondContact O-OG 3.37Å
593	R	86.1	Confident	89.8	Confident	15 Å²	15	28 Å²	28	6%	0.057	12%	0.124	C	C	.	.	H	α-helix	trans	-61.3	-22.7	177.1	-69.5	-177.9	-67	162.9	-1.4	114.2	N589 R590 T591 S595 E674 D678	N589-R593 WeakPolarHBondContact O-CG 3.38Å; N589-R593 PolarHBondContact O-N 3.11Å; R590-R593 VanDerWaalsContact CD-NH2 3.3Å; R590-R593 WeakPolarHBondContact O-CB 3.39Å; R590-R593 PolarHBondContact O-N 3.07Å; T591-R593 VanDerWaalsContact C-N 3.27Å; T591-R593 PolarHBondContact O-N 3.32Å; R593-S595 VanDerWaalsContact C-N 3.26Å; R593-E674 IonicContact CZ-OE1 2.94Å; R593-E674 IonicContact NH1-OE1 2.95Å; R593-E674 PolarHBondContact NH1-OE1 3.26Å; R593-E674 IonicContact NH2-OE1 3.74Å; R593-E674 PolarHBondContact NH2-OE1 3.25Å; R593-D678 IonicContact CZ-OD2 3.68Å; R593-D678 IonicContact NH1-OD2 3.31Å; R593-D678 PolarHBondContact NH1-OD2 3.44Å; R593-D678 IonicContact NH2-OD2 3.17Å
594	L	88.6	Confident	89.6	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-77.7	-10.4	175.1	-63.8	-175.5	0	0	0	113	T522 M540 V544 Y550 I552 T591 E592 D596 L597 Y638	T522-L594 HydrophobicContact CG2-CB 3.78Å; M540-L594 HydrophobicContact CE-CD1 4.5Å; M540-L594 HydrophobicContact SD-CD1 4.45Å; V544-L594 HydrophobicContact CG2-CD1 4.4Å; V544-L594 HydrophobicContact CG2-CD2 4.08Å; Y550-L594 VanDerWaalsContact CB-CD1 3.48Å; Y550-L594 HydrophobicContact CD1-CD1 4.34Å; Y550-L594 HydrophobicContact CD1-CD2 3.92Å; Y550-L594 HydrophobicContact CD1-CG 3.96Å; Y550-L594 HydrophobicContact CE1-CD2 4.38Å; Y550-L594 HydrophobicContact CG-CD1 4.01Å; Y550-L594 HydrophobicContact CG-CD2 4.1Å; Y550-L594 HydrophobicContact CG-CG 4.12Å; I552-L594 HydrophobicContact CD1-CD1 4.46Å; I552-L594 HydrophobicContact CG1-CD1 3.73Å; T591-L594 WeakPolarHBondContact O-CB 3.29Å; T591-L594 PolarHBondContact O-N 3.42Å; T591-L594 VanDerWaalsContact O-N 3.11Å; E592-L594 PolarHBondContact O-N 2.97Å; E592-L594 VanDerWaalsContact O-N 3.13Å; L594-D596 PolarHBondContact O-N 3.39Å; L594-L597 HydrophobicContact CD2-CD1 4.03Å; L594-L597 WeakPolarHBondContact O-CB 3.13Å; L594-L597 PolarHBondContact O-N 3.22Å; L594-Y638 HydrophobicContact CD2-CD1 4.11Å; L594-Y638 HydrophobicContact CD2-CD2 4.28Å; L594-Y638 HydrophobicContact CD2-CE1 4.33Å; L594-Y638 HydrophobicContact CD2-CE2 4.46Å; L594-Y638 HydrophobicContact CD2-CG 4.07Å
595	S	87.1	Confident	89.1	Confident	2 Å²	2	26.9 Å²	26.9	1%	0.014	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-56.3	-35.3	-179.5	64.3	0	0	0	0	112.7	E592 R593 L597 L598 D599	E592-S595 WeakPolarHBondContact O-CB 3.43Å; E592-S595 PolarHBondContact O-N 3.32Å; E592-S595 PolarHBondContact O-OG 3.37Å; R593-S595 VanDerWaalsContact C-N 3.26Å; S595-L597 PolarHBondContact O-N 2.8Å; S595-L598 WeakPolarHBondContact O-CB 3.48Å; S595-L598 PolarHBondContact O-N 3.28Å; S595-D599 PolarHBondContact O-N 2.62Å
596	D	84.1	Confident	89	Confident	40 Å²	40	25 Å²	25	21%	0.214	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-59.8	-29.2	177.8	-78.8	-13.7	0	0	0	113.5	L12 K288 L594 L598	L12-D596 HydrophobicContact CD1-CB 4.42Å; K288-D596 WeakPolarHBondContact CE-OD1 3.33Å; K288-D596 IonicContact NZ-OD1 2.97Å; K288-D596 PolarHBondContact NZ-OD1 2.89Å; K288-D596 IonicContact NZ-OD2 3.71Å; K288-D596 PolarHBondContact NZ-OD2 2.93Å; L594-D596 PolarHBondContact O-N 3.39Å; D596-L598 PolarHBondContact O-N 2.82Å
597	L	87.3	Confident	89.1	Confident	2 Å²	2	23.7 Å²	23.7	1%	0.01	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-72.6	-19.9	176.7	-57.9	-175.4	0	0	0	112.8	F539 V544 L594 S595 Y602 F636 Y638	F539-L597 HydrophobicContact CE1-CB 4.5Å; V544-L597 HydrophobicContact CG2-CD1 4.08Å; L594-L597 HydrophobicContact CD2-CD1 4.03Å; L594-L597 WeakPolarHBondContact O-CB 3.13Å; L594-L597 PolarHBondContact O-N 3.22Å; S595-L597 PolarHBondContact O-N 2.8Å; L597-Y602 WeakPolarHBondContact O-CD1 3.23Å; L597-F636 HydrophobicContact CD2-CE1 3.4Å; L597-F636 VanDerWaalsContact CD2-CE1 3.4Å; L597-F636 HydrophobicContact CD2-CZ 3.68Å; L597-Y638 HydrophobicContact CD1-CD2 4.07Å; L597-Y638 HydrophobicContact CD2-CD2 4.39Å; L597-Y638 HydrophobicContact CG-CD2 4.48Å
598	L	90.5	Very high	89	Confident	2 Å²	2	24.9 Å²	24.9	1%	0.01	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-100.5	-2.8	-177.3	-58.8	174.9	0	0	0	112.3	G283 L284 T522 V523 F536 F539 M540 S595 D596	G283-L598 CarbonylContact C-O 3.57Å; G283-L598 WeakPolarHBondContact CA-O 3.36Å; L284-L598 PolarHBondContact N-O 2.97Å; T522-L598 HydrophobicContact CG2-CD1 3.9Å; V523-L598 HydrophobicContact CG2-CD1 4.36Å; F536-L598 HydrophobicContact CD2-CD2 4.35Å; F536-L598 HydrophobicContact CE2-CD1 3.9Å; F536-L598 HydrophobicContact CE2-CD2 4.05Å; F539-L598 HydrophobicContact CD1-CD2 4.2Å; F539-L598 HydrophobicContact CE1-CD2 3.9Å; M540-L598 HydrophobicContact CE-CD1 3.84Å; M540-L598 HydrophobicContact CE-CD2 3.9Å; M540-L598 HydrophobicContact CE-CG 4.03Å; S595-L598 WeakPolarHBondContact O-CB 3.48Å; S595-L598 PolarHBondContact O-N 3.28Å; D596-L598 PolarHBondContact O-N 2.82Å
599	D	89.8	Confident	88.8	Confident	21 Å²	21	25 Å²	25	11%	0.112	11%	0.11	C	C	.	.	B	Isolated β-bridge	trans	-75.2	141.9	-178.7	-168.3	-86.3	0	0	0	112	L284 V286 S595 R601 Y602 L603	L284-D599 WeakPolarHBondContact O-CA 3.12Å; V286-D599 HydrophobicContact CB-CB 4.34Å; V286-D599 VanDerWaalsContact CB-OD2 3.29Å; V286-D599 WeakPolarHBondContact CB-OD2 3.37Å; V286-D599 HydrophobicContact CG2-CB 3.89Å; V286-D599 PolarHBondContact N-OD2 2.88Å; S595-D599 PolarHBondContact O-N 2.62Å; D599-R601 PolarHBondContact O-N 3.37Å; D599-R601 VanDerWaalsContact O-N 3.16Å; D599-R601 WeakPolarHBondContact OD1-CB 3.33Å; D599-R601 WeakPolarHBondContact OD1-CD 3.15Å; D599-R601 WeakPolarHBondContact OD1-CG 3.3Å; D599-R601 PolarHBondContact OD1-N 2.89Å; D599-Y602 PolarHBondContact O-N 2.93Å; D599-L603 PolarHBondContact O-N 2.82Å
600	W	89.7	Confident	89	Confident	1 Å²	1	24.5 Å²	24.5	0%	0.004	11%	0.108	C	C	.	.	H	α-helix	trans	-58.9	-23.4	177	-85.1	122.2	0	0	0	114.4	V48 S51 K52 V55 N282 G283 L284 Y602 L603 G604 Y607	V48-W600 HydrophobicContact CG1-CH2 3.92Å; V48-W600 HydrophobicContact CG1-CZ2 3.9Å; S51-W600 PolarHBondContact OG-NE1 3.15Å; K52-W600 HydrophobicContact CB-CD2 3.92Å; K52-W600 HydrophobicContact CB-CE3 4.25Å; K52-W600 HydrophobicContact CB-CH2 4.11Å; K52-W600 HydrophobicContact CB-CZ2 3.76Å; K52-W600 HydrophobicContact CB-CZ3 4.35Å; K52-W600 HydrophobicContact CD-CE3 4.14Å; K52-W600 HydrophobicContact CD-CH2 3.86Å; K52-W600 HydrophobicContact CD-CZ2 4.39Å; K52-W600 HydrophobicContact CD-CZ3 3.72Å; K52-W600 HydrophobicContact CG-CD2 3.91Å; K52-W600 HydrophobicContact CG-CE3 3.77Å; K52-W600 HydrophobicContact CG-CH2 4.08Å; K52-W600 HydrophobicContact CG-CZ2 4.2Å; K52-W600 HydrophobicContact CG-CZ3 3.87Å; V55-W600 HydrophobicContact CB-CB 4.31Å; V55-W600 HydrophobicContact CG1-CB 3.83Å; V55-W600 HydrophobicContact CG1-CG 4.4Å; N282-W600 HydrophobicContact CB-CH2 4.49Å; G283-W600 VanDerWaalsContact C-CE2 3.41Å; G283-W600 VanDerWaalsContact C-NE1 3.26Å; G283-W600 VanDerWaalsContact O-CE2 3.28Å; G283-W600 WeakPolarHBondContact O-CZ2 3.5Å; G283-W600 PolarHBondContact O-NE1 2.87Å; G283-W600 VanDerWaalsContact O-NE1 3.07Å; L284-W600 PolarHBondContact O-N 3.48Å; W600-Y602 PolarHBondContact O-N 2.75Å; W600-L603 HydrophobicContact CE3-CB 4.28Å; W600-L603 HydrophobicContact CZ3-CB 4.5Å; W600-G604 VanDerWaalsContact O-CA 3.25Å; W600-G604 WeakPolarHBondContact O-CA 3.07Å; W600-G604 PolarHBondContact O-N 3.1Å; W600-Y607 AromaticContact CH2-CE2 3.98Å; W600-Y607 HydrophobicContact CH2-CE2 3.98Å; W600-Y607 HydrophobicContact CZ3-CD2 4.12Å; W600-Y607 AromaticContact CZ3-CE2 3.71Å; W600-Y607 HydrophobicContact CZ3-CE2 3.71Å
601	R	86.4	Confident	89.1	Confident	164 Å²	164	23.1 Å²	23.1	62%	0.619	10%	0.103	S	C	*	.	H	α-helix	trans	-62.8	-31.3	172.5	-66.6	169.8	-174.5	-169.9	2.8	112.5	D599	D599-R601 PolarHBondContact O-N 3.37Å; D599-R601 VanDerWaalsContact O-N 3.16Å; D599-R601 WeakPolarHBondContact OD1-CB 3.33Å; D599-R601 WeakPolarHBondContact OD1-CD 3.15Å; D599-R601 WeakPolarHBondContact OD1-CG 3.3Å; D599-R601 PolarHBondContact OD1-N 2.89Å
602	Y	84.2	Confident	89	Confident	21 Å²	21	24.5 Å²	24.5	8%	0.082	11%	0.109	C	C	.	.	H	α-helix	trans	-88.2	-53.3	174.4	179.8	-109.7	0	0	0	110.8	F16 F539 L597 D599 W600 G604 R605	F16-Y602 AromaticContact CE1-CE2 3.73Å; F16-Y602 HydrophobicContact CE1-CE2 3.73Å; F16-Y602 HydrophobicContact CE2-CD2 4.22Å; F16-Y602 HydrophobicContact CE2-CE2 4.21Å; F16-Y602 AromaticContact CZ-CD2 3.86Å; F16-Y602 HydrophobicContact CZ-CD2 3.86Å; F16-Y602 AromaticContact CZ-CE2 3.49Å; F16-Y602 HydrophobicContact CZ-CE2 3.49Å; F16-Y602 VanDerWaalsContact CZ-CE2 3.49Å; F539-Y602 HydrophobicContact CZ-CE1 4.49Å; L597-Y602 WeakPolarHBondContact O-CD1 3.23Å; D599-Y602 PolarHBondContact O-N 2.93Å; W600-Y602 PolarHBondContact O-N 2.75Å; Y602-G604 VanDerWaalsContact C-N 3.32Å; Y602-G604 PolarHBondContact O-N 2.79Å; Y602-R605 WeakPolarHBondContact O-CB 3.44Å; Y602-R605 WeakPolarHBondContact O-CG 3.24Å; Y602-R605 PolarHBondContact O-N 2.59Å
603	L	89.9	Confident	89.1	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-73.7	-21	-173.2	-64.5	-179.7	0	0	0	113.9	P281 F539 D599 W600 R605 F606	P281-L603 HydrophobicContact CB-CD1 4.28Å; P281-L603 HydrophobicContact CB-CD2 4.02Å; P281-L603 HydrophobicContact CG-CD2 4.23Å; F539-L603 HydrophobicContact CE2-CD2 3.85Å; F539-L603 HydrophobicContact CZ-CD2 3.79Å; D599-L603 PolarHBondContact O-N 2.82Å; W600-L603 HydrophobicContact CE3-CB 4.28Å; W600-L603 HydrophobicContact CZ3-CB 4.5Å; L603-R605 PolarHBondContact O-N 3.5Å; L603-F606 HydrophobicContact CD2-CD2 4.17Å; L603-F606 HydrophobicContact CD2-CE2 3.84Å; L603-F606 WeakPolarHBondContact O-CD2 3.45Å; L603-F606 PolarHBondContact O-N 3.46Å
604	G	88.8	Confident	89.5	Confident	10 Å²	10	23.8 Å²	23.8	10%	0.103	11%	0.107	C	C	.	.	H	α-helix	trans	-60.7	-24.8	173.9	0	0	0	0	0	113.3	W600 Y602 F606 Y607 T608	W600-G604 VanDerWaalsContact O-CA 3.25Å; W600-G604 WeakPolarHBondContact O-CA 3.07Å; W600-G604 PolarHBondContact O-N 3.1Å; Y602-G604 VanDerWaalsContact C-N 3.32Å; Y602-G604 PolarHBondContact O-N 2.79Å; G604-F606 PolarHBondContact O-N 3.39Å; G604-Y607 WeakPolarHBondContact O-CA 3.46Å; G604-Y607 VanDerWaalsContact O-CB 3.32Å; G604-Y607 WeakPolarHBondContact O-CB 3.46Å; G604-Y607 PolarHBondContact O-N 3Å; G604-T608 PolarHBondContact O-N 3.46Å; G604-T608 VanDerWaalsContact O-N 3.13Å
605	R	86.1	Confident	89.7	Confident	101 Å²	101	23.8 Å²	23.8	38%	0.381	11%	0.107	S	C	.	.	H	α-helix	trans	-61.5	-31.5	178.3	-61.2	174.2	-176.7	-174.3	-4.2	113	F16 Y602 L603 Y607 T608 H609	F16-R605 VanDerWaalsContact CD2-NH1 3.35Å; Y602-R605 WeakPolarHBondContact O-CB 3.44Å; Y602-R605 WeakPolarHBondContact O-CG 3.24Å; Y602-R605 PolarHBondContact O-N 2.59Å; L603-R605 PolarHBondContact O-N 3.5Å; R605-Y607 VanDerWaalsContact C-N 3.28Å; R605-Y607 PolarHBondContact O-N 3.3Å; R605-T608 PolarHBondContact O-N 3.34Å; R605-H609 WeakPolarHBondContact O-CB 3.4Å; R605-H609 PolarHBondContact O-N 3.14Å
606	F	90.2	Very high	89.9	Confident	25 Å²	25	24.6 Å²	24.6	11%	0.11	11%	0.112	C	C	.	.	H	α-helix	trans	-66.4	-32.8	175.2	-65.3	-81.2	0	0	0	111.7	V279 T280 P281 L603 G604 A610	V279-F606 WeakPolarHBondContact O-CD1 3.42Å; T280-F606 HydrophobicContact CG2-CB 4.15Å; P281-F606 HydrophobicContact CG-CD2 4.35Å; P281-F606 HydrophobicContact CG-CE2 4.33Å; L603-F606 HydrophobicContact CD2-CD2 4.17Å; L603-F606 HydrophobicContact CD2-CE2 3.84Å; L603-F606 WeakPolarHBondContact O-CD2 3.45Å; L603-F606 PolarHBondContact O-N 3.46Å; G604-F606 PolarHBondContact O-N 3.39Å; F606-A610 WeakPolarHBondContact O-CB 3.29Å; F606-A610 PolarHBondContact O-N 3.35Å
607	Y	93.8	Very high	90.3	Very high	1 Å²	1	27.7 Å²	27.7	0%	0.004	12%	0.121	C	C	.	.	H	α-helix	trans	-69.8	-45.6	172.5	-81	-103.6	0	0	0	111.3	K52 H180 H182 T280 W600 G604 R605 H609 A610 R611	K52-Y607 HydrophobicContact CD-CD1 4Å; K52-Y607 HydrophobicContact CD-CD2 4.01Å; K52-Y607 HydrophobicContact CD-CE1 3.82Å; K52-Y607 HydrophobicContact CD-CE2 3.85Å; K52-Y607 HydrophobicContact CD-CG 4.08Å; H180-Y607 AromaticContact CE1-CD1 3.48Å; H180-Y607 VanDerWaalsContact CE1-CD1 3.48Å; H180-Y607 WeakPolarHBondContact CE1-CD1 3.49Å; H180-Y607 AromaticContact CE1-CE1 3.56Å; H180-Y607 AromaticContact ND1-CD1 3.94Å; H182-Y607 AromaticContact CE1-CE1 3.98Å; T280-Y607 HydrophobicContact CG2-CD2 4.23Å; T280-Y607 HydrophobicContact CG2-CE2 4.31Å; W600-Y607 AromaticContact CH2-CE2 3.98Å; W600-Y607 HydrophobicContact CH2-CE2 3.98Å; W600-Y607 HydrophobicContact CZ3-CD2 4.12Å; W600-Y607 AromaticContact CZ3-CE2 3.71Å; W600-Y607 HydrophobicContact CZ3-CE2 3.71Å; G604-Y607 WeakPolarHBondContact O-CA 3.46Å; G604-Y607 VanDerWaalsContact O-CB 3.32Å; G604-Y607 WeakPolarHBondContact O-CB 3.46Å; G604-Y607 PolarHBondContact O-N 3Å; R605-Y607 VanDerWaalsContact C-N 3.28Å; R605-Y607 PolarHBondContact O-N 3.3Å; Y607-H609 VanDerWaalsContact C-N 3.29Å; Y607-H609 PolarHBondContact O-N 3.01Å; Y607-A610 PolarHBondContact O-N 3.03Å; Y607-R611 VanDerWaalsContact O-CG 3.24Å; Y607-R611 WeakPolarHBondContact O-CG 3.23Å; Y607-R611 PolarHBondContact O-N 3.44Å
608	T	90.6	Very high	90.5	Very high	38 Å²	38	28.9 Å²	28.9	23%	0.233	13%	0.13	C	C	.	.	H	α-helix	trans	-56.8	-45	175.2	-54.4	0	0	0	0	110.9	L24 E59 G604 R605 R611 H612	L24-T608 HydrophobicContact CD1-CG2 4.22Å; E59-T608 WeakPolarHBondContact OE1-CG2 3.26Å; E59-T608 PolarHBondContact OE1-OG1 3.23Å; G604-T608 PolarHBondContact O-N 3.46Å; G604-T608 VanDerWaalsContact O-N 3.13Å; R605-T608 PolarHBondContact O-N 3.34Å; T608-R611 PolarHBondContact O-N 3.3Å; T608-H612 WeakPolarHBondContact O-CB 3.41Å; T608-H612 PolarHBondContact O-N 2.88Å
609	H	89.4	Confident	90.4	Very high	19 Å²	19	30.3 Å²	30.3	9%	0.088	14%	0.136	C	C	.	.	H	α-helix	trans	-61	-45.9	175.5	-176.9	68.6	0	0	0	112.8	R605 Y607 R611 H612 L613 M625	R605-H609 WeakPolarHBondContact O-CB 3.4Å; R605-H609 PolarHBondContact O-N 3.14Å; Y607-H609 VanDerWaalsContact C-N 3.29Å; Y607-H609 PolarHBondContact O-N 3.01Å; H609-R611 VanDerWaalsContact C-N 3.32Å; H609-R611 PolarHBondContact O-N 3.17Å; H609-H612 PolarHBondContact O-N 3.36Å; H609-L613 WeakPolarHBondContact O-CB 3.41Å; H609-L613 PolarHBondContact O-N 2.83Å; H609-M625 WeakPolarHBondContact CE1-CE 3.34Å
610	A	93.3	Very high	90.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-62.2	-39	177.9	0	0	0	0	0	112.5	V203 V256 T258 V278 F606 Y607 A614	V203-A610 HydrophobicContact CG1-CB 4.49Å; V256-A610 HydrophobicContact CG1-CB 4.25Å; T258-A610 HydrophobicContact CG2-CB 3.96Å; V278-A610 HydrophobicContact CB-CB 4.38Å; V278-A610 HydrophobicContact CG2-CB 4.31Å; F606-A610 WeakPolarHBondContact O-CB 3.29Å; F606-A610 PolarHBondContact O-N 3.35Å; Y607-A610 PolarHBondContact O-N 3.03Å; A610-A614 PolarHBondContact O-N 3.38Å
611	R	93.8	Very high	90.1	Very high	1 Å²	1	40.3 Å²	40.3	0%	0.004	19%	0.193	C	C	.	.	H	α-helix	trans	-67.8	-44.2	176.7	-66.7	166.1	-168.8	161.8	-4.1	111.6	L24 L31 E59 I178 Y607 T608 H609 L613 A614 L615	L24-R611 HydrophobicContact CD1-CB 4.42Å; L31-R611 VanDerWaalsContact CD2-CZ 3.48Å; E59-R611 IonicContact OE2-NH1 3.47Å; E59-R611 PolarHBondContact OE2-NH1 2.94Å; E59-R611 VanDerWaalsContact OE2-NH1 3.16Å; I178-R611 HydrophobicContact CD1-CB 4.27Å; I178-R611 HydrophobicContact CG2-CG 4.47Å; Y607-R611 VanDerWaalsContact O-CG 3.24Å; Y607-R611 WeakPolarHBondContact O-CG 3.23Å; Y607-R611 PolarHBondContact O-N 3.44Å; T608-R611 PolarHBondContact O-N 3.3Å; H609-R611 VanDerWaalsContact C-N 3.32Å; H609-R611 PolarHBondContact O-N 3.17Å; R611-L613 PolarHBondContact O-N 3.19Å; R611-A614 WeakPolarHBondContact O-CB 3.44Å; R611-A614 PolarHBondContact O-N 3.47Å; R611-L615 PolarHBondContact O-N 3.34Å
612	H	90.9	Very high	89.9	Confident	28 Å²	28	37.6 Å²	37.6	13%	0.13	19%	0.186	C	C	.	.	H	α-helix	trans	-62.7	-43	176.5	-170.1	-163.7	0	0	0	111.5	L24 T608 H609 A614 L615 S616 M625	L24-H612 HydrophobicContact CD2-CB 3.95Å; T608-H612 WeakPolarHBondContact O-CB 3.41Å; T608-H612 PolarHBondContact O-N 2.88Å; H609-H612 PolarHBondContact O-N 3.36Å; H612-A614 VanDerWaalsContact C-N 3.28Å; H612-A614 PolarHBondContact O-N 3.24Å; H612-L615 PolarHBondContact O-N 2.84Å; H612-S616 PolarHBondContact O-N 3.32Å; H612-M625 HydrophobicContact CB-SD 4.38Å
613	L	91.5	Very high	89.8	Confident	23 Å²	23	37.8 Å²	37.8	12%	0.12	19%	0.187	C	C	.	.	H	α-helix	trans	-60	-39.3	174.5	-176.8	62.2	0	0	0	111.6	V256 D277 V278 H609 R611 S616 R617 M625	V256-L613 HydrophobicContact CG1-CD2 4.2Å; V256-L613 HydrophobicContact CG2-CB 3.96Å; V256-L613 HydrophobicContact CG2-CD2 3.9Å; V256-L613 HydrophobicContact CG2-CG 3.66Å; D277-L613 HydrophobicContact CB-CD2 4.04Å; V278-L613 HydrophobicContact CG2-CD2 4.11Å; H609-L613 WeakPolarHBondContact O-CB 3.41Å; H609-L613 PolarHBondContact O-N 2.83Å; R611-L613 PolarHBondContact O-N 3.19Å; L613-S616 PolarHBondContact O-N 2.95Å; L613-S616 PolarHBondContact O-OG 3.45Å; L613-R617 WeakPolarHBondContact O-CG 3.44Å; L613-R617 PolarHBondContact O-N 3.43Å; L613-R617 VanDerWaalsContact O-N 3.12Å; L613-M625 HydrophobicContact CB-SD 4.32Å; L613-M625 HydrophobicContact CD1-CE 4.1Å; L613-M625 HydrophobicContact CD1-SD 4.45Å
614	A	94.1	Very high	89.3	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-66.2	-40.6	177.7	0	0	0	0	0	112.4	A201 V203 V256 A610 R611 H612 R617 S618	A201-A614 HydrophobicContact CB-CB 4.05Å; V203-A614 HydrophobicContact CG2-CB 3.63Å; V256-A614 HydrophobicContact CB-CB 4.22Å; V256-A614 HydrophobicContact CG2-CB 3.72Å; A610-A614 PolarHBondContact O-N 3.38Å; R611-A614 WeakPolarHBondContact O-CB 3.44Å; R611-A614 PolarHBondContact O-N 3.47Å; H612-A614 VanDerWaalsContact C-N 3.28Å; H612-A614 PolarHBondContact O-N 3.24Å; A614-R617 PolarHBondContact O-N 3.27Å; A614-S618 VanDerWaalsContact O-CB 3.3Å; A614-S618 WeakPolarHBondContact O-CB 3.39Å; A614-S618 PolarHBondContact O-N 3.41Å
615	L	92.6	Very high	88.5	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-61.3	-46.9	173.2	-74.6	172.8	0	0	0	111.8	L24 L29 I178 A201 R611 H612 R617 S618 F619 Y623	L24-L615 HydrophobicContact CD2-CD1 3.68Å; L29-L615 HydrophobicContact CD1-CD1 3.77Å; L29-L615 HydrophobicContact CD2-CD1 4.14Å; L29-L615 HydrophobicContact CD2-CD2 3.95Å; I178-L615 HydrophobicContact CD1-CD1 3.74Å; I178-L615 HydrophobicContact CD1-CD2 3.92Å; I178-L615 HydrophobicContact CD1-CG 3.72Å; I178-L615 HydrophobicContact CG1-CD1 4.5Å; I178-L615 HydrophobicContact CG1-CD2 3.76Å; I178-L615 HydrophobicContact CG1-CG 4.07Å; A201-L615 HydrophobicContact CB-CD2 4.14Å; R611-L615 PolarHBondContact O-N 3.34Å; H612-L615 PolarHBondContact O-N 2.84Å; L615-R617 VanDerWaalsContact C-N 3.26Å; L615-R617 PolarHBondContact O-N 2.87Å; L615-S618 PolarHBondContact O-N 3.4Å; L615-F619 HydrophobicContact CD2-CD2 3.93Å; L615-F619 HydrophobicContact CD2-CE2 4.17Å; L615-F619 WeakPolarHBondContact O-CA 3.35Å; L615-F619 PolarHBondContact O-N 3.41Å; L615-Y623 HydrophobicContact CB-CD1 4.43Å; L615-Y623 HydrophobicContact CB-CD2 4.02Å; L615-Y623 HydrophobicContact CB-CG 3.97Å; L615-Y623 HydrophobicContact CD1-CD1 4.24Å; L615-Y623 HydrophobicContact CD1-CE1 4.14Å; L615-Y623 HydrophobicContact CD2-CD2 4.4Å; L615-Y623 HydrophobicContact CD2-CE2 4.1Å
616	S	91.3	Very high	87.2	Confident	19 Å²	19	49 Å²	49	13%	0.133	24%	0.243	C	C	.	.	H	α-helix	trans	-61.7	-33.6	-180	73.7	0	0	0	0	113.1	H612 L613 P620 Y623	H612-S616 PolarHBondContact O-N 3.32Å; L613-S616 PolarHBondContact O-N 2.95Å; L613-S616 PolarHBondContact O-OG 3.45Å; S616-P620 WeakPolarHBondContact O-CA 3.19Å; S616-Y623 WeakPolarHBondContact CA-O 3.44Å
617	R	92.4	Very high	85.2	Confident	105 Å²	105	56 Å²	56	40%	0.396	28%	0.281	S	S	.	.	H	α-helix	trans	-78.7	-35.1	177.5	-70.6	177.1	179.8	-174.4	0.1	112.9	H255 D277 L613 A614 L615	H255-R617 HydrophobicContact CB-CB 4.45Å; H255-R617 WeakPolarHBondContact O-CD 3.47Å; H255-R617 PolarHBondContact O-NH1 3.28Å; D277-R617 IonicContact OD1-CZ 2.71Å; D277-R617 VanDerWaalsContact OD1-CZ 3.28Å; D277-R617 IonicContact OD1-NH1 3.28Å; D277-R617 PolarHBondContact OD1-NH1 2.99Å; D277-R617 IonicContact OD1-NH2 3.56Å; D277-R617 PolarHBondContact OD1-NH2 2.95Å; D277-R617 IonicContact OD2-NH1 2.76Å; D277-R617 PolarHBondContact OD2-NH1 3.45Å; L613-R617 WeakPolarHBondContact O-CG 3.44Å; L613-R617 PolarHBondContact O-N 3.43Å; L613-R617 VanDerWaalsContact O-N 3.12Å; A614-R617 PolarHBondContact O-N 3.27Å; L615-R617 VanDerWaalsContact C-N 3.26Å; L615-R617 PolarHBondContact O-N 2.87Å
618	S	91.1	Very high	83	Confident	28 Å²	28	64 Å²	64	20%	0.196	32%	0.316	C	S	.	.	H	α-helix	trans	-83.5	-32.7	-178	-171	0	0	0	0	112.6	M200 A614 L615	M200-S618 PolarHBondContact O-OG 2.88Å; A614-S618 VanDerWaalsContact O-CB 3.3Å; A614-S618 WeakPolarHBondContact O-CB 3.39Å; A614-S618 PolarHBondContact O-N 3.41Å; L615-S618 PolarHBondContact O-N 3.4Å
619	F	89.3	Confident	80.8	Confident	32 Å²	32	64.9 Å²	64.9	14%	0.14	33%	0.332	C	S	.	.			trans	-137	61.7	-172.5	-53.1	-66.4	0	0	0	111.1	N176 A201 L615 D621 K622 Y623	N176-F619 HydrophobicContact CB-CD2 4.29Å; N176-F619 HydrophobicContact CB-CE2 3.88Å; N176-F619 HydrophobicContact CB-CZ 4.26Å; A201-F619 HydrophobicContact CB-CE2 4.2Å; L615-F619 HydrophobicContact CD2-CD2 3.93Å; L615-F619 HydrophobicContact CD2-CE2 4.17Å; L615-F619 WeakPolarHBondContact O-CA 3.35Å; L615-F619 PolarHBondContact O-N 3.41Å; F619-D621 PolarHBondContact O-N 3.32Å; F619-K622 HydrophobicContact CB-CB 4.41Å; F619-K622 PolarHBondContact O-N 3.38Å; F619-Y623 HydrophobicContact CB-CD2 3.87Å; F619-Y623 HydrophobicContact CB-CE2 4.27Å; F619-Y623 HydrophobicContact CD2-CE2 4.45Å; F619-Y623 PolarHBondContact O-N 3.45Å
620	P	85.8	Confident	78.6	Confident	74 Å²	74	67.6 Å²	67.6	48%	0.481	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-24.9	-171.1	26	-35.9	0	0	0	114.3	S616 K622	S616-P620 WeakPolarHBondContact O-CA 3.19Å; P620-K622 VanDerWaalsContact C-N 3.34Å
621	D	85.8	Confident	76.4	Confident	157 Å²	157	70.1 Å²	70.1	84%	0.84	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-29	177.4	-59.7	-40.7	0	0	0	112.3	F619	F619-D621 PolarHBondContact O-N 3.32Å
622	K	82.8	Confident	74	Confident	108 Å²	108	76.6 Å²	76.6	47%	0.47	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-39.6	-177.3	-64.8	-176.3	-174.2	175.2	0	112.2	D173 N176 F619 P620	D173-K622 PolarHBondContact O-NZ 3.48Å; D173-K622 VanDerWaalsContact O-NZ 3.1Å; N176-K622 PolarHBondContact OD1-NZ 2.84Å; N176-K622 VanDerWaalsContact OD1-NZ 3.1Å; F619-K622 HydrophobicContact CB-CB 4.41Å; F619-K622 PolarHBondContact O-N 3.38Å; P620-K622 VanDerWaalsContact C-N 3.34Å
623	Y	83.5	Confident	71.8	Confident	25 Å²	25	76.6 Å²	76.6	10%	0.098	40%	0.395	C	S	.	.			trans	-121.2	120	-176.7	-56.6	-87.3	0	0	0	109.7	P25 L29 N176 L615 S616 F619	P25-Y623 HydrophobicContact CG-CE1 3.85Å; L29-Y623 WeakPolarHBondContact CD2-OH 3.2Å; N176-Y623 WeakPolarHBondContact ND2-CE2 3.46Å; N176-Y623 PolarHBondContact ND2-OH 3.14Å; L615-Y623 HydrophobicContact CB-CD1 4.43Å; L615-Y623 HydrophobicContact CB-CD2 4.02Å; L615-Y623 HydrophobicContact CB-CG 3.97Å; L615-Y623 HydrophobicContact CD1-CD1 4.24Å; L615-Y623 HydrophobicContact CD1-CE1 4.14Å; L615-Y623 HydrophobicContact CD2-CD2 4.4Å; L615-Y623 HydrophobicContact CD2-CE2 4.1Å; S616-Y623 WeakPolarHBondContact CA-O 3.44Å; F619-Y623 HydrophobicContact CB-CD2 3.87Å; F619-Y623 HydrophobicContact CB-CE2 4.27Å; F619-Y623 HydrophobicContact CD2-CE2 4.45Å; F619-Y623 PolarHBondContact O-N 3.45Å
624	K	77.6	Confident	69.4	Low	175 Å²	175	82.1 Å²	82.1	76%	0.761	42%	0.42	S	S	*	.			trans	-111.6	130	173.6	-66.8	-177.3	-178.5	177.5	0	108.1
625	M	72.4	Confident	67	Low	47 Å²	47	83.6 Å²	83.6	23%	0.232	44%	0.435	C	S	.	.			trans	-116.1	127.3	170.7	-154.3	179.1	102.9	0	0	107.2	H609 H612 L613 N627	H609-M625 WeakPolarHBondContact CE1-CE 3.34Å; H612-M625 HydrophobicContact CB-SD 4.38Å; L613-M625 HydrophobicContact CB-SD 4.32Å; L613-M625 HydrophobicContact CD1-CE 4.1Å; L613-M625 HydrophobicContact CD1-SD 4.45Å; M625-N627 PolarHBondContact O-N 3.13Å
626	D	59.8	Low	65.2	Low	125 Å²	125	84.3 Å²	84.3	67%	0.668	44%	0.438	S	S	*	.			trans	-58.8	135.1	174.6	-96	-10.1	0	0	0	109.5	K628	D626-K628 PolarHBondContact O-N 3.43Å
627	N	48.1	Very low	64.1	Low	171 Å²	171	89.8 Å²	89.8	91%	0.914	46%	0.456	S	S	*	.			trans	-70.4	23.9	-176.3	-123.7	0.4	0	0	0	113.4	M625 G629	M625-N627 PolarHBondContact O-N 3.13Å; N627-G629 PolarHBondContact O-N 3.27Å; N627-G629 VanDerWaalsContact O-N 3.08Å
628	K	46.2	Very low	63.2	Low	170 Å²	170	86 Å²	86	74%	0.739	44%	0.442	S	S	*	.			trans	-61.3	114.7	162.6	-68.9	178.9	-176.2	168.5	0	104.5	D626	D626-K628 PolarHBondContact O-N 3.43Å
629	G	44.8	Very low	62.3	Low	55 Å²	55	85.4 Å²	85.4	57%	0.567	44%	0.438	S	S	*	.			trans	-51.2	173.1	-178.5	0	0	0	0	0	112.1	N627 L631	N627-G629 PolarHBondContact O-N 3.27Å; N627-G629 VanDerWaalsContact O-N 3.08Å; G629-L631 PolarHBondContact O-N 3.37Å
630	P	43.6	Very low	61.5	Low	77 Å²	77	87.8 Å²	87.8	50%	0.5	45%	0.446	S	S	.	.	S	Bend	trans	-46	139.7	-178.9	22.4	-33.6	0	0	0	108.9	K632	P630-K632 PolarHBondContact O-N 2.7Å
631	L	47.4	Very low	60.8	Low	52 Å²	52	84.4 Å²	84.4	27%	0.272	42%	0.424	S	S	.	.			trans	-34.9	89.4	169.1	-107.3	158	0	0	0	109.7	W19 G629 T633	W19-L631 HydrophobicContact CD2-CD1 4.3Å; W19-L631 HydrophobicContact CE3-CD1 3.9Å; W19-L631 HydrophobicContact CH2-CB 4.38Å; W19-L631 HydrophobicContact CH2-CD1 3.07Å; W19-L631 HydrophobicContact CH2-CD2 3.63Å; W19-L631 HydrophobicContact CH2-CG 3.05Å; W19-L631 HydrophobicContact CZ2-CD1 3.46Å; W19-L631 VanDerWaalsContact CZ2-CD1 3.46Å; W19-L631 HydrophobicContact CZ2-CD2 3.05Å; W19-L631 HydrophobicContact CZ2-CG 3.11Å; W19-L631 HydrophobicContact CZ3-CD1 3.24Å; W19-L631 HydrophobicContact CZ3-CD2 4.48Å; W19-L631 HydrophobicContact CZ3-CG 3.83Å; G629-L631 PolarHBondContact O-N 3.37Å; L631-T633 PolarHBondContact O-N 2.97Å; L631-T633 VanDerWaalsContact O-N 3.12Å
632	K	42.9	Very low	59.3	Low	137 Å²	137	78.9 Å²	78.9	60%	0.596	40%	0.4	S	S	*	.			trans	-70	117.9	164.2	-74.3	-164	-177.7	178.7	0	101.9	P630 E634	P630-K632 PolarHBondContact O-N 2.7Å; K632-E634 HydrophobicContact CB-CB 3.89Å; K632-E634 HydrophobicContact CB-CG 3.88Å; K632-E634 HydrophobicContact CD-CG 3.86Å; K632-E634 WeakPolarHBondContact CD-OE1 3.44Å; K632-E634 WeakPolarHBondContact CD-OE2 3.31Å; K632-E634 WeakPolarHBondContact CE-OE1 3.48Å; K632-E634 IonicContact NZ-OE1 3.75Å; K632-E634 PolarHBondContact NZ-OE1 3.49Å; K632-E634 IonicContact NZ-OE2 3.53Å; K632-E634 PolarHBondContact O-N 3.42Å
633	T	45.4	Very low	58.5	Low	29 Å²	29	76 Å²	76	18%	0.178	39%	0.393	C	S	.	.			trans	-61.6	25.6	159.9	43.1	0	0	0	0	111.2	E542 H543 L631 G635 F636	E542-T633 PolarHBondContact OE1-OG1 3.11Å; E542-T633 VanDerWaalsContact OE1-OG1 3.1Å; H543-T633 VanDerWaalsContact NE2-CG2 3.33Å; H543-T633 WeakPolarHBondContact NE2-CG2 3.32Å; L631-T633 PolarHBondContact O-N 2.97Å; L631-T633 VanDerWaalsContact O-N 3.12Å; T633-G635 PolarHBondContact O-N 3.3Å; T633-F636 PolarHBondContact O-N 2.8Å
634	E	40.2	Very low	57.6	Low	139 Å²	139	76.2 Å²	76.2	65%	0.65	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	72.3	162.9	-81	-179.8	-173.9	0	0	108	K632	K632-E634 HydrophobicContact CB-CB 3.89Å; K632-E634 HydrophobicContact CB-CG 3.88Å; K632-E634 HydrophobicContact CD-CG 3.86Å; K632-E634 WeakPolarHBondContact CD-OE1 3.44Å; K632-E634 WeakPolarHBondContact CD-OE2 3.31Å; K632-E634 WeakPolarHBondContact CE-OE1 3.48Å; K632-E634 IonicContact NZ-OE1 3.75Å; K632-E634 PolarHBondContact NZ-OE1 3.49Å; K632-E634 IonicContact NZ-OE2 3.53Å; K632-E634 PolarHBondContact O-N 3.42Å
635	G	44.4	Very low	56.3	Low	30 Å²	30	72.7 Å²	72.7	31%	0.309	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	163.6	-24.1	174.8	0	0	0	0	0	115.3	T633 K683	T633-G635 PolarHBondContact O-N 3.3Å; G635-K683 VanDerWaalsContact O-O 3.13Å
636	F	55.1	Low	54.8	Low	15 Å²	15	76 Å²	76	7%	0.066	42%	0.417	C	S	.	.			trans	-109.4	99.9	178.3	-174	-92.9	0	0	0	110	L12 F16 L597 T633 Y638 I682	L12-F636 HydrophobicContact CD2-CE2 4.09Å; L12-F636 HydrophobicContact CD2-CZ 4.24Å; F16-F636 HydrophobicContact CD1-CD2 4.21Å; F16-F636 HydrophobicContact CE1-CB 4.46Å; F16-F636 AromaticContact CE1-CD2 3.39Å; F16-F636 HydrophobicContact CE1-CD2 3.39Å; F16-F636 AromaticContact CE1-CE2 3.63Å; F16-F636 HydrophobicContact CE1-CE2 3.63Å; F16-F636 AromaticContact CE1-CG 3.87Å; F16-F636 HydrophobicContact CE1-CG 3.87Å; F16-F636 HydrophobicContact CE1-CZ 4.33Å; F16-F636 HydrophobicContact CZ-CD2 4.12Å; F16-F636 AromaticContact CZ-CE2 3.88Å; F16-F636 HydrophobicContact CZ-CE2 3.88Å; F16-F636 HydrophobicContact CZ-CZ 4.31Å; L597-F636 HydrophobicContact CD2-CE1 3.4Å; L597-F636 VanDerWaalsContact CD2-CE1 3.4Å; L597-F636 HydrophobicContact CD2-CZ 3.68Å; T633-F636 PolarHBondContact O-N 2.8Å; F636-Y638 HydrophobicContact CZ-CD2 4.5Å; F636-I682 HydrophobicContact CD2-CG2 4.11Å; F636-I682 HydrophobicContact CE2-CG2 3.78Å
637	R	66.9	Low	53.8	Low	134 Å²	134	73.7 Å²	73.7	51%	0.506	41%	0.411	S	S	.	.			trans	-125.3	117	171.5	-149.3	179	-174.1	-169.8	-4	108.2	H543 S545	H543-R637 CarbonylContact O-C 3.52Å; H543-R637 WeakPolarHBondContact O-CA 3.5Å; S545-R637 VanDerWaalsContact OG-CD 3.26Å; S545-R637 WeakPolarHBondContact OG-CD 3.33Å; S545-R637 VanDerWaalsContact OG-CG 3.28Å; S545-R637 WeakPolarHBondContact OG-CG 3.45Å
638	Y	73.4	Confident	53.1	Low	25 Å²	25	71.7 Å²	71.7	10%	0.098	41%	0.407	C	S	.	.	B	Isolated β-bridge	trans	-56.8	125.1	175.7	-152.1	-81.4	0	0	0	107.8	H543 S545 Y550 L594 L597 F636	H543-Y638 PolarHBondContact O-N 3.02Å; S545-Y638 WeakPolarHBondContact CB-O 3.22Å; S545-Y638 PolarHBondContact N-O 2.88Å; S545-Y638 PolarHBondContact OG-O 3Å; Y550-Y638 HydrophobicContact CD1-CE1 4.48Å; Y550-Y638 AromaticContact CE1-CD1 3.9Å; Y550-Y638 HydrophobicContact CE1-CD1 3.9Å; Y550-Y638 AromaticContact CE1-CE1 3.48Å; Y550-Y638 HydrophobicContact CE1-CE1 3.48Å; Y550-Y638 VanDerWaalsContact CE1-CE1 3.48Å; Y550-Y638 AromaticContact CE2-CD1 3.9Å; Y550-Y638 HydrophobicContact CE2-CD1 3.9Å; Y550-Y638 HydrophobicContact CE2-CE1 4.3Å; Y550-Y638 AromaticContact CZ-CD1 3.44Å; Y550-Y638 VanDerWaalsContact CZ-CD1 3.44Å; Y550-Y638 AromaticContact CZ-CE1 3.39Å; Y550-Y638 WeakPolarHBondContact OH-CD1 3.45Å; Y550-Y638 VanDerWaalsContact OH-CE1 3.22Å; Y550-Y638 WeakPolarHBondContact OH-CE1 3.42Å; L594-Y638 HydrophobicContact CD2-CD1 4.11Å; L594-Y638 HydrophobicContact CD2-CD2 4.28Å; L594-Y638 HydrophobicContact CD2-CE1 4.33Å; L594-Y638 HydrophobicContact CD2-CE2 4.46Å; L594-Y638 HydrophobicContact CD2-CG 4.07Å; L597-Y638 HydrophobicContact CD1-CD2 4.07Å; L597-Y638 HydrophobicContact CD2-CD2 4.39Å; L597-Y638 HydrophobicContact CG-CD2 4.48Å; F636-Y638 HydrophobicContact CZ-CD2 4.5Å
639	P	74.1	Confident	52.3	Low	17 Å²	17	68.8 Å²	68.8	11%	0.11	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-67.9	168.5	-172.7	28.2	-35.1	0	0	0	110.6	Y550 N681 I682	Y550-P639 WeakPolarHBondContact CE2-O 3.48Å; Y550-P639 PolarHBondContact OH-O 3.13Å; P639-N681 HydrophobicContact CB-CB 4.29Å; P639-N681 HydrophobicContact CG-CB 4.26Å; P639-I682 HydrophobicContact CG-CG1 4.14Å
640	R	72.2	Confident	51.8	Low	82 Å²	82	71.2 Å²	71.2	31%	0.309	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-68.1	141	168.1	-176.1	177.2	-178.3	-171.3	-4.9	108.7	D546 A642 P645 S647	D546-R640 HydrophobicContact CB-CB 4.41Å; D546-R640 HydrophobicContact CB-CG 4.19Å; D546-R640 IonicContact OD2-NE 3.95Å; D546-R640 PolarHBondContact OD2-NE 3.22Å; R640-A642 PolarHBondContact O-N 2.95Å; R640-P645 PolarHBondContact NH2-O 3.19Å; R640-S647 PolarHBondContact NH1-OG 2.64Å; R640-S647 PolarHBondContact NH2-OG 3.31Å
641	P	70.1	Confident	51.3	Low	2 Å²	2	72.3 Å²	72.3	1%	0.013	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-63.7	135.4	-177.7	-4.7	14.7	0	0	0	110.8	A549 Y550 S643 V644	A549-P641 HydrophobicContact CB-CG 3.98Å; Y550-P641 HydrophobicContact CD1-CG 4.49Å; Y550-P641 HydrophobicContact CD2-CG 4.09Å; Y550-P641 HydrophobicContact CE1-CB 4.48Å; Y550-P641 HydrophobicContact CE1-CG 3.97Å; Y550-P641 HydrophobicContact CE2-CG 3.54Å; Y550-P641 VanDerWaalsContact CZ-CG 3.43Å; Y550-P641 WeakPolarHBondContact OH-CA 3.36Å; Y550-P641 WeakPolarHBondContact OH-CG 3.47Å; P641-S643 PolarHBondContact O-N 3.3Å; P641-S643 VanDerWaalsContact O-N 3.15Å; P641-V644 HydrophobicContact CB-CG2 4.11Å; P641-V644 HydrophobicContact CG-CG2 3.85Å; P641-V644 PolarHBondContact O-N 2.96Å
642	A	54.5	Low	50.4	Low	42 Å²	42	78 Å²	78	35%	0.347	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-25.9	-176.3	0	0	0	0	0	114.1	R640 V644 R677 D678	R640-A642 PolarHBondContact O-N 2.95Å; A642-V644 VanDerWaalsContact C-N 3.28Å; A642-V644 PolarHBondContact O-N 3.26Å; A642-R677 HydrophobicContact CB-CB 4.16Å; A642-D678 PolarHBondContact N-OD1 2.97Å
643	S	65.8	Low	50	Low	46 Å²	46	81 Å²	81	32%	0.322	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	2.1	178.4	57.5	0	0	0	0	114.2	R590 P641 E674	R590-S643 PolarHBondContact NE-OG 3.18Å; R590-S643 PolarHBondContact NH2-OG 2.98Å; P641-S643 PolarHBondContact O-N 3.3Å; P641-S643 VanDerWaalsContact O-N 3.15Å; S643-E674 WeakPolarHBondContact CB-OE2 3.38Å; S643-E674 PolarHBondContact OG-OE1 3.11Å; S643-E674 PolarHBondContact OG-OE2 2.85Å
644	V	65.4	Low	49.2	Very low	31 Å²	31	85.2 Å²	85.2	19%	0.188	51%	0.509	C	S	.	.	S	Bend	trans	-90.7	121.2	168.6	-172.3	0	0	0	0	108.1	A549 P641 A642	A549-V644 HydrophobicContact CB-CG2 4.14Å; P641-V644 HydrophobicContact CB-CG2 4.11Å; P641-V644 HydrophobicContact CG-CG2 3.85Å; P641-V644 PolarHBondContact O-N 2.96Å; A642-V644 VanDerWaalsContact C-N 3.28Å; A642-V644 PolarHBondContact O-N 3.26Å
645	P	49.4	Very low	48.7	Very low	100 Å²	100	84.8 Å²	84.8	65%	0.649	52%	0.516	S	S	*	.	P	Polyproline II helix	trans	-57.4	141.9	179.5	19.5	-29.3	0	0	0	110.8	R640 S647	R640-P645 PolarHBondContact NH2-O 3.19Å; P645-S647 PolarHBondContact O-N 2.97Å
646	P	42.1	Very low	48.3	Very low	117 Å²	117	89.2 Å²	89.2	76%	0.76	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-56.4	133.4	178.9	21.8	-30.5	0	0	0	109.3
647	S	37.2	Very low	46.9	Very low	77 Å²	77	97.4 Å²	97.4	54%	0.538	58%	0.577	S	S	.	*	P	Polyproline II helix	trans	-58.2	136.5	177	-53.8	0	0	0	0	108.4	R640 P645 S649	R640-S647 PolarHBondContact NH1-OG 2.64Å; R640-S647 PolarHBondContact NH2-OG 3.31Å; P645-S647 PolarHBondContact O-N 2.97Å; S647-S649 PolarHBondContact O-N 2.96Å
648	P	34.5	Very low	45.1	Very low	128 Å²	128	99.7 Å²	99.7	83%	0.831	59%	0.593	S	S	*	*			trans	-59.1	114	179.3	21.8	-30	0	0	0	108.4	A650	P648-A650 PolarHBondContact O-N 3.45Å
649	S	29.8	Very low	43.1	Very low	110 Å²	110	103.7 Å²	103.7	77%	0.769	63%	0.625	S	S	*	*			trans	-57.5	122	168.7	18	0	0	0	0	107.2	S647 S651	S647-S649 PolarHBondContact O-N 2.96Å; S649-S651 VanDerWaalsContact C-N 3.34Å; S649-S651 PolarHBondContact O-N 2.93Å
650	A	34	Very low	41.1	Very low	105 Å²	105	110.8 Å²	110.8	87%	0.868	66%	0.662	S	S	*	*	S	Bend	trans	-60.9	95.9	175.8	0	0	0	0	0	109.8	P648	P648-A650 PolarHBondContact O-N 3.45Å
651	S	31.6	Very low	39.1	Very low	100 Å²	100	115.3 Å²	115.3	70%	0.699	69%	0.686	S	S	*	*			trans	-174.8	131.1	138.7	47.2	0	0	0	0	111	S649	S649-S651 VanDerWaalsContact C-N 3.34Å; S649-S651 PolarHBondContact O-N 2.93Å
652	L	29.3	Very low	37.4	Very low	171 Å²	171	123.7 Å²	123.7	90%	0.895	73%	0.725	S	S	*	*			trans	90.8	126	165.2	-59	165.1	0	0	0	118.1
653	H	34	Very low	36.4	Very low	201 Å²	201	128.8 Å²	128.8	93%	0.931	75%	0.747	S	S	*	*			trans	-59.1	139.2	-177.4	-64.5	-30.8	0	0	0	113.3
654	S	30.3	Very low	35	Very low	118 Å²	118	132.6 Å²	132.6	83%	0.825	76%	0.764	S	S	*	*			trans	-140.1	148	144.9	56.7	0	0	0	0	109.6
655	T	29.2	Very low	33.6	Very low	129 Å²	129	137.1 Å²	137.1	79%	0.791	79%	0.787	S	S	*	*			trans	-61.4	159	-166.4	35.5	0	0	0	0	115.2	H657	T655-H657 PolarHBondContact O-N 3.45Å
656	P	34.8	Very low	33.3	Very low	124 Å²	124	139 Å²	139	81%	0.805	79%	0.791	S	S	*	*			trans	-72.4	112.2	-176.7	29.9	-31.7	0	0	0	110.4
657	H	25.9	Very low	33.5	Very low	186 Å²	186	141.1 Å²	141.1	86%	0.861	79%	0.791	S	S	*	*			trans	-81.3	122.2	160.1	-112.7	-38.8	0	0	0	108.3	T655 S659	T655-H657 PolarHBondContact O-N 3.45Å; H657-S659 PolarHBondContact O-N 2.88Å
658	H	29	Very low	34	Very low	183 Å²	183	143 Å²	143	85%	0.847	80%	0.802	S	S	*	*			trans	-62.8	116.1	164.5	-85.3	-79.5	0	0	0	108.6	D660	H658-D660 PolarHBondContact O-N 3.3Å
659	S	31.7	Very low	35	Very low	109 Å²	109	140.1 Å²	140.1	76%	0.762	78%	0.775	S	S	*	*			trans	-90.9	96.6	176.7	57.2	0	0	0	0	110.1	H657	H657-S659 PolarHBondContact O-N 2.88Å
660	D	33.4	Very low	36.8	Very low	166 Å²	166	138.7 Å²	138.7	89%	0.888	76%	0.759	S	S	*	*			trans	-127.3	38	162.9	-93.6	-20.6	0	0	0	109.3	H658	H658-D660 PolarHBondContact O-N 3.3Å
661	E	29.7	Very low	38.1	Very low	176 Å²	176	136.2 Å²	136.2	82%	0.822	73%	0.729	S	S	*	*	S	Bend	trans	-120	121.6	167.4	-71.5	-175.2	171.7	0	0	108	D663	E661-D663 PolarHBondContact O-N 3.23Å
662	E	34.7	Very low	39.6	Very low	178 Å²	178	138.9 Å²	138.9	83%	0.832	73%	0.73	S	S	*	*			trans	-60	114.8	168.6	-66.1	178.1	148.4	0	0	107	D664	E662-D664 PolarHBondContact O-N 3.35Å
663	D	33.4	Very low	41.5	Very low	150 Å²	150	134.7 Å²	134.7	80%	0.802	71%	0.706	S	S	*	*			trans	-63.4	85.8	170.2	-78.8	-33.4	0	0	0	108.7	E661 D665	E661-D663 PolarHBondContact O-N 3.23Å; D663-D665 PolarHBondContact O-N 3.47Å
664	D	35.1	Very low	43.1	Very low	126 Å²	126	125.4 Å²	125.4	67%	0.674	66%	0.663	S	S	*	*			trans	-73.2	59.8	158.6	-89.8	-21.5	0	0	0	109.1	E662 D666	E662-D664 PolarHBondContact O-N 3.35Å; D664-D666 PolarHBondContact O-N 2.97Å
665	D	36.6	Very low	44.5	Very low	126 Å²	126	120.5 Å²	120.5	67%	0.674	63%	0.63	S	S	*	*			trans	-73.6	84.2	158.2	-92.6	-21.9	0	0	0	107.5	D663 E667	D663-D665 PolarHBondContact O-N 3.47Å; D665-E667 PolarHBondContact O-N 2.88Å; D665-E667 VanDerWaalsContact O-N 3.09Å
666	D	42.2	Very low	46.3	Very low	139 Å²	139	119.7 Å²	119.7	74%	0.743	62%	0.617	S	S	*	*			trans	-72.8	26.8	174.9	-104	-17.4	0	0	0	112.8	D664 P668	D664-D666 PolarHBondContact O-N 2.97Å; D666-P668 VanDerWaalsContact O-CD 3.29Å; D666-P668 WeakPolarHBondContact O-CD 3.47Å
667	E	46.3	Very low	47.7	Very low	162 Å²	162	119 Å²	119	76%	0.757	60%	0.598	S	S	*	*			trans	-76.5	117.7	161	-80.2	-159.1	170.9	0	0	108.6	D665 Y669	D665-E667 PolarHBondContact O-N 2.88Å; D665-E667 VanDerWaalsContact O-N 3.09Å; E667-Y669 PolarHBondContact O-N 2.93Å
668	P	48.2	Very low	49.4	Very low	117 Å²	117	110.1 Å²	110.1	76%	0.76	56%	0.557	S	S	*	*			trans	-61.7	114.3	174.2	23.3	-29.5	0	0	0	108.1	D666 N670	D666-P668 VanDerWaalsContact O-CD 3.29Å; D666-P668 WeakPolarHBondContact O-CD 3.47Å; P668-N670 PolarHBondContact O-N 3.29Å
669	Y	55.6	Low	51.1	Low	66 Å²	66	106.7 Å²	106.7	26%	0.259	54%	0.537	S	S	.	.			trans	-51.6	106.1	171.6	172.3	-91.8	0	0	0	108.8	I586 E667 E671 E674	I586-Y669 HydrophobicContact CD1-CD2 4.4Å; I586-Y669 HydrophobicContact CG1-CE2 4.35Å; I586-Y669 HydrophobicContact CG2-CE2 4.01Å; E667-Y669 PolarHBondContact O-N 2.93Å; Y669-E671 HydrophobicContact CD1-CB 4.38Å; Y669-E671 HydrophobicContact CE1-CB 3.78Å; Y669-E671 HydrophobicContact CE1-CG 4.2Å; Y669-E674 WeakPolarHBondContact CE2-OE2 3.13Å; Y669-E674 VanDerWaalsContact CZ-OE2 3.3Å; Y669-E674 PolarHBondContact OH-OE2 2.93Å; Y669-E674 VanDerWaalsContact OH-OE2 3.1Å
670	N	68	Low	52.3	Low	81 Å²	81	108.5 Å²	108.5	43%	0.433	54%	0.537	S	S	.	.			trans	-94.4	100.8	178.1	-172.1	-11.7	0	0	0	109.2	P668 E672 E673 E674	P668-N670 PolarHBondContact O-N 3.29Å; N670-E672 VanDerWaalsContact C-N 3.32Å; N670-E672 PolarHBondContact O-N 3.07Å; N670-E672 PolarHBondContact OD1-N 3.36Å; N670-E673 HydrophobicContact CB-CB 3.86Å; N670-E673 PolarHBondContact O-N 3.06Å; N670-E673 PolarHBondContact OD1-N 2.72Å; N670-E674 PolarHBondContact O-N 2.84Å
671	E	61.3	Low	53.5	Low	52 Å²	52	104.8 Å²	104.8	24%	0.243	52%	0.517	C	S	.	.	H	α-helix	trans	-62.6	-37.2	-176.9	-173.7	169.6	-171.5	0	0	113.1	N589 Y669 E674 A675	N589-E671 VanDerWaalsContact CB-OE1 3.27Å; N589-E671 WeakPolarHBondContact CB-OE1 3.48Å; N589-E671 PolarHBondContact ND2-OE1 2.8Å; N589-E671 VanDerWaalsContact ND2-OE1 3.08Å; N589-E671 PolarHBondContact ND2-OE2 3Å; Y669-E671 HydrophobicContact CD1-CB 4.38Å; Y669-E671 HydrophobicContact CE1-CB 3.78Å; Y669-E671 HydrophobicContact CE1-CG 4.2Å; E671-E674 PolarHBondContact O-N 3.38Å; E671-A675 WeakPolarHBondContact O-CB 3.42Å; E671-A675 PolarHBondContact O-N 3.38Å
672	E	63.6	Low	54.8	Low	156 Å²	156	96.9 Å²	96.9	73%	0.729	48%	0.481	S	S	*	.	H	α-helix	trans	-67.1	-40.9	178.1	-69.3	-176	169.1	0	0	110.7	N670 A675 E676	N670-E672 VanDerWaalsContact C-N 3.32Å; N670-E672 PolarHBondContact O-N 3.07Å; N670-E672 PolarHBondContact OD1-N 3.36Å; E672-A675 PolarHBondContact O-N 3.43Å; E672-E676 WeakPolarHBondContact O-CG 3.46Å; E672-E676 PolarHBondContact O-N 2.87Å
673	E	68.1	Low	55.2	Low	83 Å²	83	96.5 Å²	96.5	39%	0.388	48%	0.476	S	S	.	.	H	α-helix	trans	-68.1	-38.4	177.9	-162	-170.7	145.1	0	0	112.3	N670 E676 R677	N670-E673 HydrophobicContact CB-CB 3.86Å; N670-E673 PolarHBondContact O-N 3.06Å; N670-E673 PolarHBondContact OD1-N 2.72Å; E673-E676 PolarHBondContact O-N 3.05Å; E673-R677 WeakPolarHBondContact O-CB 3.41Å; E673-R677 WeakPolarHBondContact O-CG 3.34Å; E673-R677 PolarHBondContact O-N 2.81Å; E673-R677 IonicContact OE1-CZ 3.03Å; E673-R677 IonicContact OE1-NE 3.8Å; E673-R677 PolarHBondContact OE1-NE 3.37Å; E673-R677 IonicContact OE1-NH2 2.89Å; E673-R677 PolarHBondContact OE1-NH2 3.25Å; E673-R677 IonicContact OE2-NH2 2.86Å
674	E	67	Low	55.2	Low	6 Å²	6	92.5 Å²	92.5	3%	0.028	46%	0.464	C	S	.	.	H	α-helix	trans	-65.1	-42.8	172.2	-177.3	177.4	153.3	0	0	111.3	R590 R593 S643 Y669 N670 E671 E676 R677 D678	R590-E674 IonicContact NE-OE1 3.99Å; R590-E674 PolarHBondContact NE-OE1 2.84Å; R593-E674 IonicContact CZ-OE1 2.94Å; R593-E674 IonicContact NH1-OE1 2.95Å; R593-E674 PolarHBondContact NH1-OE1 3.26Å; R593-E674 IonicContact NH2-OE1 3.74Å; R593-E674 PolarHBondContact NH2-OE1 3.25Å; S643-E674 WeakPolarHBondContact CB-OE2 3.38Å; S643-E674 PolarHBondContact OG-OE1 3.11Å; S643-E674 PolarHBondContact OG-OE2 2.85Å; Y669-E674 WeakPolarHBondContact CE2-OE2 3.13Å; Y669-E674 VanDerWaalsContact CZ-OE2 3.3Å; Y669-E674 PolarHBondContact OH-OE2 2.93Å; Y669-E674 VanDerWaalsContact OH-OE2 3.1Å; N670-E674 PolarHBondContact O-N 2.84Å; E671-E674 PolarHBondContact O-N 3.38Å; E674-E676 VanDerWaalsContact C-N 3.28Å; E674-E676 PolarHBondContact O-N 3.14Å; E674-R677 PolarHBondContact O-N 3.46Å; E674-D678 WeakPolarHBondContact O-CB 3.37Å; E674-D678 PolarHBondContact O-N 2.92Å
675	A	61.7	Low	55.1	Low	15 Å²	15	89.8 Å²	89.8	12%	0.124	45%	0.453	C	S	.	.	H	α-helix	trans	-61.5	-38.4	176.7	0	0	0	0	0	111.6	E671 E672 R679	E671-A675 WeakPolarHBondContact O-CB 3.42Å; E671-A675 PolarHBondContact O-N 3.38Å; E672-A675 PolarHBondContact O-N 3.43Å; A675-R679 WeakPolarHBondContact O-CD 3.28Å; A675-R679 WeakPolarHBondContact O-CG 3.48Å; A675-R679 PolarHBondContact O-N 3.26Å
676	E	65.2	Low	54.7	Low	113 Å²	113	93 Å²	93	53%	0.528	46%	0.462	S	S	.	.	H	α-helix	trans	-67	-43.7	173.1	-74.8	-173.8	169.4	0	0	113	E672 E673 E674 R679 L680	E672-E676 WeakPolarHBondContact O-CG 3.46Å; E672-E676 PolarHBondContact O-N 2.87Å; E673-E676 PolarHBondContact O-N 3.05Å; E674-E676 VanDerWaalsContact C-N 3.28Å; E674-E676 PolarHBondContact O-N 3.14Å; E676-R679 WeakPolarHBondContact O-CB 3.02Å; E676-R679 PolarHBondContact O-N 2.95Å; E676-L680 WeakPolarHBondContact O-CG 3.33Å; E676-L680 PolarHBondContact O-N 3.49Å
677	R	64.3	Low	53.8	Low	108 Å²	108	94.6 Å²	94.6	41%	0.408	47%	0.466	S	S	.	.	H	α-helix	trans	-62.4	-44.1	176	-76.9	-170.9	-119.6	165.1	-5.4	112.1	A642 E673 E674 R679 L680 N681	A642-R677 HydrophobicContact CB-CB 4.16Å; E673-R677 WeakPolarHBondContact O-CB 3.41Å; E673-R677 WeakPolarHBondContact O-CG 3.34Å; E673-R677 PolarHBondContact O-N 2.81Å; E673-R677 IonicContact OE1-CZ 3.03Å; E673-R677 IonicContact OE1-NE 3.8Å; E673-R677 PolarHBondContact OE1-NE 3.37Å; E673-R677 IonicContact OE1-NH2 2.89Å; E673-R677 PolarHBondContact OE1-NH2 3.25Å; E673-R677 IonicContact OE2-NH2 2.86Å; E674-R677 PolarHBondContact O-N 3.46Å; R677-R679 VanDerWaalsContact C-N 3.32Å; R677-R679 PolarHBondContact O-N 3.47Å; R677-L680 PolarHBondContact O-N 3.39Å; R677-N681 WeakPolarHBondContact O-CB 3.42Å; R677-N681 VanDerWaalsContact O-CG 3.28Å; R677-N681 PolarHBondContact O-N 3.23Å; R677-N681 PolarHBondContact O-ND2 3.36Å
678	D	62.8	Low	53	Low	0 Å²	0	95.1 Å²	95.1	0%	0	47%	0.473	C	S	.	.	H	α-helix	trans	-61	-44.1	176.4	-78.3	0.8	0	0	0	109.9	Y550 R593 A642 E674 L680 N681 I682	Y550-D678 PolarHBondContact OH-OD2 3.05Å; Y550-D678 VanDerWaalsContact OH-OD2 3.14Å; R593-D678 IonicContact CZ-OD2 3.68Å; R593-D678 IonicContact NH1-OD2 3.31Å; R593-D678 PolarHBondContact NH1-OD2 3.44Å; R593-D678 IonicContact NH2-OD2 3.17Å; A642-D678 PolarHBondContact N-OD1 2.97Å; E674-D678 WeakPolarHBondContact O-CB 3.37Å; E674-D678 PolarHBondContact O-N 2.92Å; D678-L680 PolarHBondContact O-N 2.97Å; D678-N681 CarbonylContact O-C 3.44Å; D678-N681 PolarHBondContact O-N 3.14Å; D678-N681 VanDerWaalsContact O-N 3.08Å; D678-I682 WeakPolarHBondContact O-CG1 3.4Å; D678-I682 PolarHBondContact O-N 2.97Å
679	R	63.6	Low	52.2	Low	112 Å²	112	93 Å²	93	42%	0.423	47%	0.474	S	S	.	.	H	α-helix	trans	-56.6	-47.2	174.9	-74.4	167.3	-169.6	173.2	4.8	113	A675 E676 R677 N681 I682	A675-R679 WeakPolarHBondContact O-CD 3.28Å; A675-R679 WeakPolarHBondContact O-CG 3.48Å; A675-R679 PolarHBondContact O-N 3.26Å; E676-R679 WeakPolarHBondContact O-CB 3.02Å; E676-R679 PolarHBondContact O-N 2.95Å; R677-R679 VanDerWaalsContact C-N 3.32Å; R677-R679 PolarHBondContact O-N 3.47Å; R679-N681 PolarHBondContact O-N 2.91Å; R679-I682 PolarHBondContact O-N 3.08Å
680	L	58.6	Low	50.8	Low	147 Å²	147	95 Å²	95	77%	0.77	50%	0.497	S	S	*	.	H	α-helix	trans	-63.7	-28.8	178.1	-70.7	169.8	0	0	0	112.4	E676 R677 D678	E676-L680 WeakPolarHBondContact O-CG 3.33Å; E676-L680 PolarHBondContact O-N 3.49Å; R677-L680 PolarHBondContact O-N 3.39Å; D678-L680 PolarHBondContact O-N 2.97Å
681	N	57.5	Low	48.8	Very low	87 Å²	87	97.4 Å²	97.4	47%	0.465	51%	0.514	S	S	.	.	H	α-helix	trans	-90.3	-3.9	-179.5	-70.6	-36.5	0	0	0	113.9	P639 R677 D678 R679 K683	P639-N681 HydrophobicContact CB-CB 4.29Å; P639-N681 HydrophobicContact CG-CB 4.26Å; R677-N681 WeakPolarHBondContact O-CB 3.42Å; R677-N681 VanDerWaalsContact O-CG 3.28Å; R677-N681 PolarHBondContact O-N 3.23Å; R677-N681 PolarHBondContact O-ND2 3.36Å; D678-N681 CarbonylContact O-C 3.44Å; D678-N681 PolarHBondContact O-N 3.14Å; D678-N681 VanDerWaalsContact O-N 3.08Å; R679-N681 PolarHBondContact O-N 2.91Å; N681-K683 PolarHBondContact O-N 3.13Å
682	I	56.8	Low	47.2	Very low	11 Å²	11	100.3 Å²	100.3	6%	0.056	54%	0.538	C	S	.	.			trans	-67.1	102.1	167.4	-58.8	170.3	0	0	0	106.6	L12 L15 F636 P639 D678 R679	L12-I682 HydrophobicContact CD2-CD1 4.37Å; L15-I682 HydrophobicContact CD1-CB 3.83Å; L15-I682 HydrophobicContact CD1-CD1 3.64Å; L15-I682 HydrophobicContact CD1-CG1 4.29Å; L15-I682 HydrophobicContact CD1-CG2 3.93Å; L15-I682 HydrophobicContact CD2-CB 3.84Å; L15-I682 HydrophobicContact CD2-CG2 3.79Å; L15-I682 WeakPolarHBondContact CD2-O 3.41Å; L15-I682 HydrophobicContact CG-CB 4.46Å; L15-I682 HydrophobicContact CG-CG2 4.32Å; F636-I682 HydrophobicContact CD2-CG2 4.11Å; F636-I682 HydrophobicContact CE2-CG2 3.78Å; P639-I682 HydrophobicContact CG-CG1 4.14Å; D678-I682 WeakPolarHBondContact O-CG1 3.4Å; D678-I682 PolarHBondContact O-N 2.97Å; R679-I682 PolarHBondContact O-N 3.08Å
683	K	44	Very low	45.5	Very low	170 Å²	170	102.2 Å²	102.2	74%	0.739	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-77.5	130.5	-178.7	-67.4	-176.4	179.4	179.7	0	110.4	G635 N681	G635-K683 VanDerWaalsContact O-O 3.13Å; N681-K683 PolarHBondContact O-N 3.13Å
684	A	33.6	Very low	43.6	Very low	66 Å²	66	101.4 Å²	101.4	55%	0.545	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-71.9	150	157.6	0	0	0	0	0	109.6	F686	A684-F686 PolarHBondContact O-N 3.48Å
685	P	33.1	Very low	41.9	Very low	68 Å²	68	111.2 Å²	111.2	44%	0.442	60%	0.603	S	S	.	*	P	Polyproline II helix	trans	-61.4	134.3	-172.5	19.6	-28.5	0	0	0	112.4	M687	P685-M687 PolarHBondContact O-N 2.94Å
686	F	26.5	Very low	40.3	Very low	195 Å²	195	120.3 Å²	120.3	86%	0.855	64%	0.64	S	S	*	*			trans	-62.7	110.2	171.3	-138.5	-95.6	0	0	0	108.5	A684 L688	A684-F686 PolarHBondContact O-N 3.48Å; F686-L688 PolarHBondContact O-N 3.35Å; F686-L688 VanDerWaalsContact O-N 3.1Å
687	M	25.1	Very low	38.6	Very low	171 Å²	171	124.7 Å²	124.7	84%	0.842	66%	0.657	S	S	*	*			trans	-71.4	101.4	172.8	-72.6	-74.9	-80	0	0	108.9	P685 G689	P685-M687 PolarHBondContact O-N 2.94Å; M687-G689 PolarHBondContact O-N 2.88Å; M687-G689 VanDerWaalsContact O-N 3.1Å
688	L	27.6	Very low	37.1	Very low	173 Å²	173	128.4 Å²	128.4	91%	0.906	68%	0.679	S	S	*	*			trans	-76	95	169.9	-152.6	87.4	0	0	0	108.5	F686	F686-L688 PolarHBondContact O-N 3.35Å; F686-L688 VanDerWaalsContact O-N 3.1Å
689	G	33.2	Very low	35.7	Very low	74 Å²	74	134.5 Å²	134.5	76%	0.763	72%	0.719	S	S	*	*			trans	139.7	66.2	168.3	0	0	0	0	0	116	M687	M687-G689 PolarHBondContact O-N 2.88Å; M687-G689 VanDerWaalsContact O-N 3.1Å
690	S	24.4	Very low	34.2	Very low	106 Å²	106	132.5 Å²	132.5	74%	0.741	73%	0.733	S	S	*	*			trans	-141.8	101.5	144.6	55.1	0	0	0	0	108.3
691	V	26.1	Very low	32.9	Very low	132 Å²	132	134.5 Å²	134.5	80%	0.8	74%	0.739	S	S	*	*			trans	-55.3	125.4	161.6	177.3	0	0	0	0	105.8	E693	V691-E693 PolarHBondContact O-N 2.73Å
692	P	27.6	Very low	31.8	Very low	114 Å²	114	136 Å²	136	74%	0.74	76%	0.756	S	S	*	*			trans	-63.8	113.9	178.2	23.1	-28.9	0	0	0	107.9	G694	P692-G694 PolarHBondContact O-N 2.76Å; P692-G694 VanDerWaalsContact O-N 3.13Å
693	E	28.7	Very low	30.6	Very low	195 Å²	195	139 Å²	139	91%	0.911	79%	0.789	S	S	*	*			trans	-53.3	122	172	-81.5	-168.9	148.7	0	0	108.6	V691 K695	V691-E693 PolarHBondContact O-N 2.73Å; E693-K695 PolarHBondContact O-N 3.37Å
694	G	28.4	Very low	30.1	Very low	67 Å²	67	142.5 Å²	142.5	69%	0.691	82%	0.816	S	S	*	*			trans	-54.4	138.6	-177.2	0	0	0	0	0	111.6	P692 K696	P692-G694 PolarHBondContact O-N 2.76Å; P692-G694 VanDerWaalsContact O-N 3.13Å; G694-K696 PolarHBondContact O-N 3.15Å
695	K	30.3	Very low	30	Very low	211 Å²	211	146.4 Å²	146.4	92%	0.917	83%	0.83	S	S	*	*			trans	-42.5	108.6	165.3	-74.5	178.8	174.3	178.5	0	109.6	E693 K697	E693-K695 PolarHBondContact O-N 3.37Å; K695-K697 PolarHBondContact O-N 3.3Å
696	K	29.5	Very low	29.8	Very low	206 Å²	206	150.5 Å²	150.5	90%	0.896	85%	0.85	S	S	*	*			trans	-55.6	107.1	163.1	-81.6	179.7	176.3	173.3	0	107.6	G694 Q698	G694-K696 PolarHBondContact O-N 3.15Å; K696-Q698 PolarHBondContact O-N 2.73Å
697	K	29.5	Very low	30	Very low	205 Å²	205	148 Å²	148	89%	0.891	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-63.7	119.6	163.8	-80.4	-177.4	173.8	-179.3	0	107.6	K695	K695-K697 PolarHBondContact O-N 3.3Å
698	Q	32.3	Very low	30.3	Very low	187 Å²	187	146.6 Å²	146.6	87%	0.874	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-65	139.7	163.5	-75.6	179.2	-17.5	0	0	109.3	K696	K696-Q698 PolarHBondContact O-N 2.73Å
699	P	32.7	Very low	30.4	Very low	127 Å²	127	145 Å²	145	83%	0.825	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-87.1	129	173	32.6	-27.5	0	0	0	110.9
700	G	33	Very low	30.3	Very low	71 Å²	71	149.7 Å²	149.7	73%	0.732	85%	0.853	S	S	*	*			trans	86.1	122.2	140.3	0	0	0	0	0	119.1
701	E	30.9	Very low	30.7	Very low	189 Å²	189	152.9 Å²	152.9	88%	0.883	86%	0.861	S	S	*	*			trans	135.5	96.2	137.5	-76.9	-175	172.8	0	0	110.5
702	S	33.9	Very low	31	Very low	118 Å²	118	154.5 Å²	154.5	83%	0.825	87%	0.865	S	S	*	*				103.8	133.6	78.4	73	0	0	0	0	110.1
703	G	33.3	Very low	31.3	Very low	73 Å²	73	157.8 Å²	157.8	75%	0.753	88%	0.876	S	S	*	*			trans	140.5	84.9	163.9	0	0	0	0	0	115.6
704	N	33.5	Very low	31.6	Very low	245 Å²	245	154.5 Å²	154.5	100%	1.31	87%	0.872	S	S	*	*			trans	56	0	157.2	-71	-8.5	0	0	0	120.7

Retrieved 704 of 704 residues in 759.3 ms (Link to these results)

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