A0A096N5V0_PAPAN 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 , UniProt , Accession A0A096N5V0, Species PAPAN (Papio anubis, Olive baboon), Gene GYS2, Length 703 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	27.1	Very low	26.3	Very low	238 Å²	238	144.9 Å²	144.9	100%	1.172	78%	0.78	S	S	*	*				0	124.6	0	-84.8	172.9	176.8	0	0	108.4
2	L	26.2	Very low	27.4	Very low	179 Å²	179	137.1 Å²	137.1	94%	0.937	74%	0.737	S	S	*	*			trans	52.9	77.2	166.2	-65.6	158.7	0	0	0	118	G4	L2-G4 PolarHBondContact O-N 2.97Å
3	R	24.6	Very low	28.3	Very low	246 Å²	246	134.6 Å²	134.6	93%	0.928	74%	0.737	S	S	*	*			trans	-72.8	114.4	150.4	-82.7	-176.2	176.7	-177.1	-1.9	108	R5	R3-R5 PolarHBondContact O-N 3.47Å
4	G	23.7	Very low	29.1	Very low	80 Å²	80	126.9 Å²	126.9	83%	0.825	70%	0.703	S	S	*	*			trans	-61.4	116.6	170.7	0	0	0	0	0	109.9	L2 S6	L2-G4 PolarHBondContact O-N 2.97Å; G4-S6 PolarHBondContact O-N 3.34Å
5	R	24.3	Very low	30.1	Very low	238 Å²	238	119.7 Å²	119.7	90%	0.898	66%	0.663	S	S	*	*			trans	-67.8	113	167.1	-77.5	178.3	169.2	173.9	-3.8	107.5	R3 L7	R3-R5 PolarHBondContact O-N 3.47Å; R5-L7 PolarHBondContact O-N 3.4Å
6	S	24.1	Very low	30.9	Very low	116 Å²	116	114.9 Å²	114.9	81%	0.811	64%	0.639	S	S	*	*			trans	-56.2	114.1	162.3	169.1	0	0	0	0	108.3	G4 S8	G4-S6 PolarHBondContact O-N 3.34Å; S6-S8 PolarHBondContact O-N 2.89Å; S6-S8 VanDerWaalsContact O-N 3.16Å
7	L	22.4	Very low	31.6	Very low	161 Å²	161	120.5 Å²	120.5	84%	0.843	65%	0.648	S	S	*	*			trans	-74.4	98.6	171.6	-83.1	158.3	0	0	0	107.7	R5 V9	R5-L7 PolarHBondContact O-N 3.4Å; L7-V9 PolarHBondContact O-N 3.05Å; L7-V9 VanDerWaalsContact O-N 3.09Å
8	S	25.8	Very low	32.7	Very low	88 Å²	88	117.8 Å²	117.8	62%	0.615	63%	0.627	S	S	*	*			trans	-63.9	101.6	167.2	171.1	0	0	0	0	109.5	S6 T10	S6-S8 PolarHBondContact O-N 2.89Å; S6-S8 VanDerWaalsContact O-N 3.16Å; S8-T10 VanDerWaalsContact C-N 3.3Å; S8-T10 PolarHBondContact O-N 3.31Å; S8-T10 VanDerWaalsContact O-N 3.14Å
9	V	26.9	Very low	33.5	Very low	110 Å²	110	121.5 Å²	121.5	67%	0.667	64%	0.641	S	S	*	*			trans	-81.9	82.8	168	-178.3	0	0	0	0	107.8	L7 S11	L7-V9 PolarHBondContact O-N 3.05Å; L7-V9 VanDerWaalsContact O-N 3.09Å; V9-S11 VanDerWaalsContact C-N 3.34Å; V9-S11 PolarHBondContact O-N 3.37Å; V9-S11 VanDerWaalsContact O-N 3.17Å
10	T	32.2	Very low	34.5	Very low	98 Å²	98	117.2 Å²	117.2	60%	0.601	62%	0.619	S	S	*	*			trans	-80.6	77.5	170.9	28	0	0	0	0	109.5	S8	S8-T10 VanDerWaalsContact C-N 3.3Å; S8-T10 PolarHBondContact O-N 3.31Å; S8-T10 VanDerWaalsContact O-N 3.14Å
11	S	31.9	Very low	35.9	Very low	40 Å²	40	119 Å²	119	28%	0.28	63%	0.625	S	S	.	*			trans	-103.1	9.8	173.9	63	0	0	0	0	114.4	V9 S13 K286	V9-S11 VanDerWaalsContact C-N 3.34Å; V9-S11 PolarHBondContact O-N 3.37Å; V9-S11 VanDerWaalsContact O-N 3.17Å; S11-S13 VanDerWaalsContact C-N 3.35Å; S11-K286 PolarHBondContact OG-NZ 2.68Å
12	L	39.3	Very low	37.9	Very low	51 Å²	51	116.6 Å²	116.6	27%	0.267	61%	0.61	S	S	.	*			trans	-93.2	17.6	173.2	-76.5	163.8	0	0	0	113.1	G14 L15 R599	L12-G14 PolarHBondContact O-N 2.97Å; L12-L15 HydrophobicContact CD2-CD1 3.95Å; L12-L15 PolarHBondContact O-N 3.17Å; L12-R599 HydrophobicContact CD1-CB 3.97Å
13	S	39.1	Very low	40.5	Very low	105 Å²	105	109 Å²	109	73%	0.734	57%	0.57	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	-4.5	-168.3	51.8	0	0	0	0	116.2	S11	S11-S13 VanDerWaalsContact C-N 3.35Å
14	G	40.3	Very low	43.5	Very low	26 Å²	26	99.6 Å²	99.6	27%	0.268	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-18.5	177.9	0	0	0	0	0	115.6	L12 I681	L12-G14 PolarHBondContact O-N 2.97Å; G14-I681 WeakPolarHBondContact O-CG2 3.2Å
15	L	43.6	Very low	46.6	Very low	19 Å²	19	97.1 Å²	97.1	10%	0.099	51%	0.51	C	S	.	.	S	Bend	trans	-85.5	129.2	178.5	-67.1	178.1	0	0	0	109	L12 R17 L595 Y600 F634	L12-L15 HydrophobicContact CD2-CD1 3.95Å; L12-L15 PolarHBondContact O-N 3.17Å; L15-R17 PolarHBondContact O-N 3.18Å; L15-L595 HydrophobicContact CD1-CD2 4.46Å; L15-L595 HydrophobicContact CD2-CD2 4Å; L15-Y600 HydrophobicContact CD1-CD2 3.8Å; L15-Y600 HydrophobicContact CD1-CE2 4.27Å; L15-Y600 HydrophobicContact CD1-CG 4.27Å; L15-F634 HydrophobicContact CD2-CD2 4.31Å; L15-F634 HydrophobicContact CD2-CE1 3.89Å; L15-F634 HydrophobicContact CD2-CE2 3.24Å; L15-F634 HydrophobicContact CD2-CZ 3.01Å
16	P	43.3	Very low	49.7	Very low	43 Å²	43	93.8 Å²	93.8	28%	0.279	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-52.8	130.1	177.6	13.1	-20.8	0	0	0	109.7	W18 R603 F634	P16-W18 PolarHBondContact O-N 3.27Å; P16-R603 PolarHBondContact O-NH1 3.17Å; P16-F634 HydrophobicContact CG-CD2 3.9Å
17	R	42.7	Very low	52.9	Low	211 Å²	211	93.8 Å²	93.8	80%	0.796	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-66.9	119.1	169.6	-74.8	-175.9	175.7	-178.2	-2.7	106.2	L15 E19	L15-R17 PolarHBondContact O-N 3.18Å; R17-E19 PolarHBondContact O-N 3.13Å
18	W	51.7	Low	56.3	Low	71 Å²	71	86.1 Å²	86.1	27%	0.269	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-67.7	116.8	165.9	-172	-9.2	0	0	0	105.6	P16 V20 R603 H607 P629	P16-W18 PolarHBondContact O-N 3.27Å; W18-V20 HydrophobicContact CB-CG2 4.16Å; W18-V20 VanDerWaalsContact CD1-CG2 3.4Å; W18-V20 HydrophobicContact CD2-CG2 3.4Å; W18-V20 VanDerWaalsContact CD2-CG2 3.4Å; W18-V20 HydrophobicContact CE3-CG2 4.14Å; W18-V20 HydrophobicContact CG-CG2 3.42Å; W18-V20 VanDerWaalsContact CG-CG2 3.42Å; W18-V20 HydrophobicContact CZ2-CG2 4.06Å; W18-V20 PolarHBondContact O-N 3.3Å; W18-R603 HydrophobicContact CE3-CB 3.7Å; W18-R603 HydrophobicContact CZ3-CB 3.95Å; W18-H607 HydrophobicContact CH2-CB 3.37Å; W18-H607 AromaticContact CH2-CG 3.55Å; W18-H607 AromaticContact CH2-ND1 3.96Å; W18-H607 HydrophobicContact CZ2-CB 3.82Å; W18-H607 AromaticContact CZ2-CG 3.68Å; W18-H607 AromaticContact CZ2-ND1 3.58Å; W18-H607 HydrophobicContact CZ3-CB 4.22Å; W18-P629 HydrophobicContact CD2-CG 3.95Å; W18-P629 HydrophobicContact CE3-CG 4.39Å; W18-P629 HydrophobicContact CH2-CG 3.89Å; W18-P629 HydrophobicContact CZ2-CG 3.41Å; W18-P629 VanDerWaalsContact CZ2-CG 3.41Å; W18-P629 HydrophobicContact CZ3-CG 4.36Å
19	E	47.4	Very low	59.7	Low	188 Å²	188	81.9 Å²	81.9	88%	0.879	42%	0.422	S	S	*	.			trans	-72.8	74.5	167.7	-66.4	-178	175.8	0	0	107.6	R17	R17-E19 PolarHBondContact O-N 3.13Å
20	V	54	Low	63.1	Low	35 Å²	35	76.7 Å²	76.7	21%	0.212	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-86.1	126.9	160.1	-167	0	0	0	0	105.2	W18 E22 H610	W18-V20 HydrophobicContact CB-CG2 4.16Å; W18-V20 VanDerWaalsContact CD1-CG2 3.4Å; W18-V20 HydrophobicContact CD2-CG2 3.4Å; W18-V20 VanDerWaalsContact CD2-CG2 3.4Å; W18-V20 HydrophobicContact CE3-CG2 4.14Å; W18-V20 HydrophobicContact CG-CG2 3.42Å; W18-V20 VanDerWaalsContact CG-CG2 3.42Å; W18-V20 HydrophobicContact CZ2-CG2 4.06Å; W18-V20 PolarHBondContact O-N 3.3Å; V20-E22 PolarHBondContact O-N 2.93Å; V20-H610 WeakPolarHBondContact CG1-NE2 3.37Å
21	E	62.3	Low	66.3	Low	157 Å²	157	72 Å²	72	73%	0.734	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-53.1	135.6	167.3	-72.2	-173.7	156.9	0	0	108.9	L23 H610	E21-L23 PolarHBondContact O-N 3.5Å; E21-H610 PolarHBondContact O-CE1 3.31Å; E21-H610 PolarHBondContact O-NE2 2.73Å
22	E	70.6	Confident	69.5	Low	187 Å²	187	70.1 Å²	70.1	87%	0.874	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-65.8	135.1	179.4	-70	-179	169.4	0	0	110.1	V20	V20-E22 PolarHBondContact O-N 2.93Å
23	L	81.2	Confident	72.3	Confident	18 Å²	18	67.7 Å²	67.7	9%	0.094	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-59.8	139.5	171.9	-76	173.5	0	0	0	109.5	E21 V25 L28 W59 R609 H610 L613	E21-L23 PolarHBondContact O-N 3.5Å; L23-V25 HydrophobicContact CB-CG2 4.08Å; L23-V25 PolarHBondContact O-N 2.87Å; L23-L28 HydrophobicContact CB-CD1 4.15Å; L23-L28 HydrophobicContact CD2-CD1 4.19Å; L23-W59 HydrophobicContact CD1-CH2 4.31Å; L23-W59 HydrophobicContact CD1-CZ2 3.58Å; L23-R609 HydrophobicContact CD1-CB 4.07Å; L23-H610 WeakPolarHBondContact CD2-CE1 3.36Å; L23-H610 WeakPolarHBondContact CD2-ND1 3.35Å; L23-H610 WeakPolarHBondContact CD2-NE2 3.43Å; L23-H610 WeakPolarHBondContact CG-NE2 3.47Å; L23-L613 HydrophobicContact CD2-CD1 3.58Å
24	P	87.4	Confident	75.1	Confident	50 Å²	50	62.7 Å²	62.7	33%	0.325	30%	0.301	S	S	.	.			trans	-74.7	66.8	171.1	32	-34.3	0	0	0	109.9	E26 E27 L28 F621	P24-E26 PolarHBondContact O-N 2.67Å; P24-E27 PolarHBondContact O-N 3.32Å; P24-L28 HydrophobicContact CG-CD1 4.48Å; P24-L28 WeakPolarHBondContact O-CG 3.41Å; P24-F621 HydrophobicContact CG-CE1 3.79Å
25	V	88.9	Confident	77.9	Confident	27 Å²	27	63.1 Å²	63.1	16%	0.164	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-51.2	-33.1	-172.4	168.7	0	0	0	0	112.5	L23 E27 L28 W59 N62	L23-V25 HydrophobicContact CB-CG2 4.08Å; L23-V25 PolarHBondContact O-N 2.87Å; V25-E27 PolarHBondContact O-N 2.99Å; V25-L28 PolarHBondContact O-N 3.25Å; V25-L28 VanDerWaalsContact O-N 3.09Å; V25-L28 VanDerWaalsContact O-O 3.12Å; V25-W59 HydrophobicContact CG1-CB 4.36Å; V25-W59 HydrophobicContact CG1-CD2 4.32Å; V25-W59 HydrophobicContact CG1-CE3 4.13Å; V25-W59 HydrophobicContact CG1-CG 4.46Å; V25-W59 HydrophobicContact CG2-CD2 4.4Å; V25-N62 PolarHBondContact O-ND2 3.24Å
26	E	88.4	Confident	80.4	Confident	169 Å²	169	63 Å²	63	79%	0.79	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-60.7	-31.4	179.6	-61.4	-174.1	175.2	0	0	113	P24 K173	P24-E26 PolarHBondContact O-N 2.67Å; E26-K173 VanDerWaalsContact O-CE 3.25Å; E26-K173 WeakPolarHBondContact O-CE 3.38Å; E26-K173 PolarHBondContact O-NZ 3.45Å
27	E	91.2	Very high	83	Confident	115 Å²	115	60.9 Å²	60.9	54%	0.537	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-91.4	1.7	179.1	-58.1	-176.1	178.6	0	0	113	P24 V25 K173 H174	P24-E27 PolarHBondContact O-N 3.32Å; V25-E27 PolarHBondContact O-N 2.99Å; E27-K173 CarbonylContact O-C 3.32Å; E27-K173 VanDerWaalsContact O-CA 3.23Å; E27-K173 WeakPolarHBondContact O-CA 3.5Å; E27-K173 WeakPolarHBondContact O-CB 3.43Å; E27-H174 PolarHBondContact O-N 3.46Å
28	L	95.1	Very high	85.6	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	153.6	-172.2	-56.9	177.1	0	0	0	111.7	L23 P24 V25 W59 N62 H174 L613 F621	L23-L28 HydrophobicContact CB-CD1 4.15Å; L23-L28 HydrophobicContact CD2-CD1 4.19Å; P24-L28 HydrophobicContact CG-CD1 4.48Å; P24-L28 WeakPolarHBondContact O-CG 3.41Å; V25-L28 PolarHBondContact O-N 3.25Å; V25-L28 VanDerWaalsContact O-N 3.09Å; V25-L28 VanDerWaalsContact O-O 3.12Å; L28-W59 HydrophobicContact CB-CH2 3.84Å; L28-W59 HydrophobicContact CB-CZ3 3.5Å; L28-W59 HydrophobicContact CD1-CH2 3.85Å; L28-W59 HydrophobicContact CD1-CZ3 4.32Å; L28-N62 WeakPolarHBondContact O-CB 3.36Å; L28-N62 VanDerWaalsContact O-CG 3.31Å; L28-N62 PolarHBondContact O-ND2 2.84Å; L28-H174 CarbonylContact C-O 3.49Å; L28-H174 VanDerWaalsContact CA-O 3.32Å; L28-H174 WeakPolarHBondContact CA-O 3.48Å; L28-H174 HydrophobicContact CD2-CB 3.69Å; L28-L613 HydrophobicContact CD1-CD1 3.72Å; L28-L613 HydrophobicContact CD2-CD1 4.2Å; L28-L613 HydrophobicContact CD2-CD2 3.98Å; L28-F621 HydrophobicContact CD2-CZ 3.94Å
29	L	97	Very high	87.7	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	130.7	165.1	-62	175.4	0	0	0	108.9	F31 N62 F64 V166 K173 H174 V175 V176	L29-F31 HydrophobicContact CB-CD2 4.46Å; L29-F31 HydrophobicContact CB-CE2 3.75Å; L29-F31 HydrophobicContact CB-CZ 4.41Å; L29-F31 HydrophobicContact CD1-CE2 4.35Å; L29-N62 HydrophobicContact CD2-CB 4.18Å; L29-F64 HydrophobicContact CD2-CE2 4.21Å; L29-V166 HydrophobicContact CD1-CG1 4.1Å; L29-K173 HydrophobicContact CD1-CD 4.44Å; L29-K173 HydrophobicContact CD2-CD 4.04Å; L29-K173 HydrophobicContact CG-CB 4.37Å; L29-K173 HydrophobicContact CG-CD 4.01Å; L29-H174 PolarHBondContact N-O 3Å; L29-V175 HydrophobicContact CB-CG2 4.46Å; L29-V175 HydrophobicContact CD1-CG2 4.43Å; L29-V176 PolarHBondContact O-N 3.48Å
30	L	97.9	Very high	89.8	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	119.9	176.7	176	63.8	0	0	0	110.4	T55 W59 N62 Y63 F64 V176	L30-T55 HydrophobicContact CD2-CG2 3.76Å; L30-W59 HydrophobicContact CB-CD2 3.73Å; L30-W59 HydrophobicContact CB-CE3 3.37Å; L30-W59 HydrophobicContact CB-CH2 3.83Å; L30-W59 HydrophobicContact CB-CZ2 4.16Å; L30-W59 HydrophobicContact CB-CZ3 3.43Å; L30-W59 VanDerWaalsContact CB-CZ3 3.43Å; L30-W59 HydrophobicContact CD2-CD2 3.8Å; L30-W59 HydrophobicContact CD2-CE3 4.34Å; L30-W59 HydrophobicContact CD2-CG 4.07Å; L30-W59 HydrophobicContact CD2-CZ2 4.12Å; L30-W59 HydrophobicContact CG-CD2 4.42Å; L30-W59 HydrophobicContact CG-CE3 4.49Å; L30-N62 PolarHBondContact N-O 3.3Å; L30-Y63 HydrophobicContact CB-CD2 4.38Å; L30-Y63 HydrophobicContact CD2-CD2 3.68Å; L30-Y63 HydrophobicContact CD2-CE2 4.09Å; L30-Y63 HydrophobicContact CG-CD2 3.94Å; L30-Y63 HydrophobicContact CG-CE2 4.44Å; L30-F64 PolarHBondContact O-N 3.5Å; L30-V176 WeakPolarHBondContact CA-O 3.29Å; L30-V176 HydrophobicContact CD1-CB 4.08Å; L30-V176 HydrophobicContact CD1-CG1 3.89Å
31	F	98.6	Very high	91.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	113.9	169.7	-62.7	-85.9	0	0	0	109.3	L29 F64 I66 V88 F162 L163 V166 V175 V176 A177 Q178	L29-F31 HydrophobicContact CB-CD2 4.46Å; L29-F31 HydrophobicContact CB-CE2 3.75Å; L29-F31 HydrophobicContact CB-CZ 4.41Å; L29-F31 HydrophobicContact CD1-CE2 4.35Å; F31-F64 CarbonylContact C-O 3.57Å; F31-F64 WeakPolarHBondContact CA-O 3.39Å; F31-F64 HydrophobicContact CD1-CB 3.54Å; F31-F64 HydrophobicContact CD1-CD2 4.27Å; F31-F64 HydrophobicContact CD1-CG 4.13Å; F31-F64 HydrophobicContact CE1-CB 3.66Å; F31-F64 AromaticContact CE1-CD2 3.74Å; F31-F64 HydrophobicContact CE1-CD2 3.74Å; F31-F64 AromaticContact CE1-CG 3.72Å; F31-F64 HydrophobicContact CE1-CG 3.72Å; F31-F64 HydrophobicContact CG-CB 4.47Å; F31-F64 AromaticContact CZ-CD2 3.99Å; F31-F64 HydrophobicContact CZ-CD2 3.99Å; F31-F64 HydrophobicContact CZ-CG 4.41Å; F31-I66 HydrophobicContact CB-CD1 4.03Å; F31-I66 HydrophobicContact CD1-CD1 3.79Å; F31-I66 HydrophobicContact CD1-CG1 4.19Å; F31-I66 HydrophobicContact CG-CD1 4.23Å; F31-V88 HydrophobicContact CE1-CG2 4.2Å; F31-V88 HydrophobicContact CZ-CG2 4.03Å; F31-F162 AromaticContact CD1-CE1 3.97Å; F31-F162 HydrophobicContact CD1-CE1 3.97Å; F31-F162 AromaticContact CE1-CE1 3.63Å; F31-F162 HydrophobicContact CE1-CE1 3.63Å; F31-F162 HydrophobicContact CE1-CZ 4.12Å; F31-F162 HydrophobicContact CZ-CE1 4.33Å; F31-L163 HydrophobicContact CB-CD2 4.08Å; F31-L163 HydrophobicContact CD1-CD2 4.49Å; F31-L163 HydrophobicContact CD2-CD2 3.87Å; F31-L163 HydrophobicContact CE2-CD2 4.47Å; F31-L163 HydrophobicContact CG-CD2 3.88Å; F31-V166 HydrophobicContact CE2-CG1 3.91Å; F31-V166 HydrophobicContact CZ-CG1 3.82Å; F31-V166 HydrophobicContact CZ-CG2 4.16Å; F31-V175 HydrophobicContact CD2-CG1 3.65Å; F31-V175 HydrophobicContact CE2-CG1 3.83Å; F31-V176 PolarHBondContact N-O 2.9Å; F31-A177 CarbonylContact O-C 3.42Å; F31-A177 VanDerWaalsContact O-CA 3.3Å; F31-A177 WeakPolarHBondContact O-CA 3.37Å; F31-Q178 PolarHBondContact O-N 2.88Å
32	E	98.6	Very high	92.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	119.4	174	-170.8	172.9	-118.7	0	0	109.4	K51 Y63 F64 L65 I66 Q178 H180	E32-K51 VanDerWaalsContact OE1-CE 3.22Å; E32-K51 WeakPolarHBondContact OE1-CE 3.36Å; E32-K51 IonicContact OE1-NZ 3.62Å; E32-K51 PolarHBondContact OE1-NZ 3.41Å; E32-K51 IonicContact OE2-NZ 3.72Å; E32-K51 PolarHBondContact OE2-NZ 3.35Å; E32-Y63 HydrophobicContact CB-CE2 3.98Å; E32-Y63 PolarHBondContact OE2-OH 3.45Å; E32-F64 PolarHBondContact N-O 3.41Å; E32-L65 HydrophobicContact CB-CD2 3.83Å; E32-L65 HydrophobicContact CG-CD2 4.19Å; E32-L65 CarbonylContact O-C 3.47Å; E32-L65 VanDerWaalsContact O-CA 3.3Å; E32-L65 WeakPolarHBondContact O-CA 3.44Å; E32-I66 PolarHBondContact O-N 3.24Å; E32-Q178 CarbonylContact C-O 3.47Å; E32-Q178 WeakPolarHBondContact CA-O 3.42Å; E32-Q178 HydrophobicContact CG-CB 4.37Å; E32-Q178 HydrophobicContact CG-CG 4.43Å; E32-H180 WeakPolarHBondContact CG-NE2 3.24Å; E32-H180 IonicContact OE1-NE2 3.03Å; E32-H180 PolarHBondContact OE1-NE2 3.05Å
33	V	98.8	Very high	93.2	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	123.1	-165.4	-169.9	0	0	0	0	109.2	I66 F155 T159 Q178 F179 H180 A184	V33-I66 HydrophobicContact CB-CB 4.33Å; V33-I66 HydrophobicContact CG1-CB 4.07Å; V33-I66 HydrophobicContact CG1-CG2 4.12Å; V33-I66 HydrophobicContact CG2-CB 4.05Å; V33-I66 HydrophobicContact CG2-CD1 4.1Å; V33-I66 HydrophobicContact CG2-CG1 4.34Å; V33-F155 HydrophobicContact CG1-CE1 3.97Å; V33-F155 HydrophobicContact CG1-CZ 3.76Å; V33-T159 HydrophobicContact CG1-CG2 3.93Å; V33-T159 HydrophobicContact CG2-CG2 4.13Å; V33-Q178 PolarHBondContact N-O 2.97Å; V33-F179 HydrophobicContact CB-CD1 3.74Å; V33-F179 HydrophobicContact CB-CE1 4.1Å; V33-F179 HydrophobicContact CB-CG 4.35Å; V33-F179 HydrophobicContact CG1-CD1 3.99Å; V33-F179 HydrophobicContact CG1-CE1 4.2Å; V33-F179 HydrophobicContact CG2-CD1 3.96Å; V33-F179 HydrophobicContact CG2-CE1 3.87Å; V33-F179 HydrophobicContact CG2-CZ 4.37Å; V33-H180 PolarHBondContact O-N 3.06Å; V33-A184 HydrophobicContact CB-CB 4.45Å; V33-A184 HydrophobicContact CG1-CB 3.99Å
34	A	98.5	Very high	93.8	Very high	1 Å²	1	36 Å²	36	1%	0.008	19%	0.194	C	C	.	.			trans	-153.5	150.5	171.7	0	0	0	0	0	112	E36 V37 I44 I48 I66 H180	A34-E36 PolarHBondContact O-N 3.42Å; A34-V37 HydrophobicContact CB-CG2 4.11Å; A34-V37 PolarHBondContact O-N 3.22Å; A34-I44 HydrophobicContact CB-CG2 4.27Å; A34-I48 HydrophobicContact CB-CD1 3.3Å; A34-I66 PolarHBondContact N-O 2.92Å; A34-I66 VanDerWaalsContact N-O 3.08Å; A34-H180 HydrophobicContact CB-CB 3.9Å
35	W	97.9	Very high	94.2	Very high	34 Å²	34	34.5 Å²	34.5	13%	0.129	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-25.8	173.3	-172.8	-101	0	0	0	113.5	N39 P68 F70 I120 D151 M152 F155 Q183	W35-N39 PolarHBondContact O-ND2 3.22Å; W35-P68 HydrophobicContact CD2-CG 3.88Å; W35-P68 HydrophobicContact CE3-CB 4.18Å; W35-P68 HydrophobicContact CE3-CG 3.84Å; W35-P68 HydrophobicContact CG-CG 4.45Å; W35-P68 HydrophobicContact CH2-CB 4.15Å; W35-P68 HydrophobicContact CH2-CG 4.38Å; W35-P68 HydrophobicContact CZ2-CG 4.38Å; W35-P68 HydrophobicContact CZ3-CB 3.96Å; W35-P68 HydrophobicContact CZ3-CG 4.12Å; W35-P68 WeakPolarHBondContact O-CD 3.49Å; W35-P68 WeakPolarHBondContact O-CG 3.38Å; W35-F70 HydrophobicContact CZ2-CZ 4.18Å; W35-I120 HydrophobicContact CH2-CD1 3.52Å; W35-I120 HydrophobicContact CZ2-CD1 4.45Å; W35-I120 HydrophobicContact CZ3-CD1 4.22Å; W35-D151 HydrophobicContact CH2-CB 4.05Å; W35-M152 HydrophobicContact CD2-CE 3.66Å; W35-M152 HydrophobicContact CD2-SD 3.8Å; W35-M152 HydrophobicContact CE3-CE 3.57Å; W35-M152 HydrophobicContact CE3-SD 3.46Å; W35-M152 HydrophobicContact CG-CE 4.5Å; W35-M152 HydrophobicContact CG-SD 4.38Å; W35-M152 HydrophobicContact CH2-CE 3.36Å; W35-M152 HydrophobicContact CH2-SD 4.3Å; W35-M152 HydrophobicContact CZ2-CE 3.49Å; W35-M152 VanDerWaalsContact CZ2-CE 3.49Å; W35-M152 HydrophobicContact CZ3-CE 3.41Å; W35-M152 VanDerWaalsContact CZ3-CE 3.41Å; W35-M152 HydrophobicContact CZ3-SD 3.73Å; W35-F155 HydrophobicContact CE3-CB 4.34Å; W35-F155 AromaticContact CE3-CD1 3.93Å; W35-F155 HydrophobicContact CE3-CD1 3.93Å; W35-F155 HydrophobicContact CE3-CE1 4.46Å; W35-F155 HydrophobicContact CE3-CG 4.09Å; W35-F155 HydrophobicContact CZ3-CB 3.85Å; W35-F155 HydrophobicContact CZ3-CD1 4.3Å; W35-F155 HydrophobicContact CZ3-CG 4.04Å; W35-Q183 HydrophobicContact CB-CB 3.85Å; W35-Q183 HydrophobicContact CB-CG 4.41Å; W35-Q183 HydrophobicContact CG-CB 4.4Å
36	E	97.5	Very high	94.3	Very high	16 Å²	16	34.8 Å²	34.8	8%	0.075	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	2.7	-176.4	-64	-166.6	-139.6	0	0	113.9	A34 T38 N39 V41 G42 I44 Y45	A34-E36 PolarHBondContact O-N 3.42Å; E36-T38 PolarHBondContact O-N 3.1Å; E36-N39 CarbonylContact C-O 3.56Å; E36-N39 WeakPolarHBondContact CA-O 3.22Å; E36-N39 WeakPolarHBondContact CB-O 3.42Å; E36-N39 CarbonylContact O-C 3.6Å; E36-N39 PolarHBondContact O-N 3.12Å; E36-V41 HydrophobicContact CG-CB 4.05Å; E36-V41 HydrophobicContact CG-CG2 4.39Å; E36-G42 VanDerWaalsContact CD-N 3.34Å; E36-G42 WeakPolarHBondContact OE2-CA 3.46Å; E36-G42 PolarHBondContact OE2-N 2.9Å; E36-I44 HydrophobicContact CB-CB 4.28Å; E36-I44 HydrophobicContact CB-CG2 4.44Å; E36-I44 HydrophobicContact CG-CB 4.24Å; E36-I44 WeakPolarHBondContact OE1-CB 3.43Å; E36-I44 PolarHBondContact OE2-N 2.92Å; E36-Y45 WeakPolarHBondContact O-CD2 3.27Å; E36-Y45 WeakPolarHBondContact OE2-CB 3.45Å; E36-Y45 PolarHBondContact OE2-N 2.99Å
37	V	97.9	Very high	94.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	119.5	172.3	169.2	0	0	0	0	109	A34 N39 I48 L65 I66 V115 L117	A34-V37 HydrophobicContact CB-CG2 4.11Å; A34-V37 PolarHBondContact O-N 3.22Å; V37-N39 PolarHBondContact O-N 2.85Å; V37-N39 VanDerWaalsContact O-N 3.09Å; V37-I48 HydrophobicContact CG2-CD1 4.1Å; V37-I48 HydrophobicContact CG2-CG2 4.47Å; V37-L65 HydrophobicContact CG1-CB 3.88Å; V37-L65 HydrophobicContact CG2-CB 4.2Å; V37-L65 HydrophobicContact CG2-CD2 4.03Å; V37-I66 WeakPolarHBondContact CG2-O 3.46Å; V37-V115 HydrophobicContact CG1-CG1 4.01Å; V37-L117 HydrophobicContact CG1-CD2 4.18Å
38	T	96.3	Very high	94.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	7.7	-172.1	73.6	0	0	0	0	115.4	E36 N73 Q77 V78 W107 V115 L117	E36-T38 PolarHBondContact O-N 3.1Å; T38-N73 WeakPolarHBondContact O-CB 3.4Å; T38-N73 PolarHBondContact O-ND2 3.06Å; T38-Q77 PolarHBondContact O-NE2 3.25Å; T38-V78 HydrophobicContact CG2-CG2 3.8Å; T38-W107 HydrophobicContact CG2-CD2 4.05Å; T38-W107 HydrophobicContact CG2-CG 4.06Å; T38-V115 HydrophobicContact CG2-CG1 4.16Å; T38-L117 HydrophobicContact CG2-CD1 4.29Å; T38-L117 HydrophobicContact CG2-CD2 4.24Å
39	N	95.3	Very high	94.8	Very high	23 Å²	23	24.1 Å²	24.1	12%	0.123	13%	0.134	C	C	.	.			trans	-133	97.3	-173.8	179.2	36.2	0	0	0	111.3	W35 E36 V37 V41 F70	W35-N39 PolarHBondContact O-ND2 3.22Å; E36-N39 CarbonylContact C-O 3.56Å; E36-N39 WeakPolarHBondContact CA-O 3.22Å; E36-N39 WeakPolarHBondContact CB-O 3.42Å; E36-N39 CarbonylContact O-C 3.6Å; E36-N39 PolarHBondContact O-N 3.12Å; V37-N39 PolarHBondContact O-N 2.85Å; V37-N39 VanDerWaalsContact O-N 3.09Å; N39-V41 VanDerWaalsContact ND2-CG2 3.33Å; N39-V41 WeakPolarHBondContact ND2-CG2 3.28Å; N39-V41 PolarHBondContact O-N 3.19Å; N39-F70 HydrophobicContact CB-CD2 3.99Å; N39-F70 HydrophobicContact CB-CE2 3.85Å; N39-F70 VanDerWaalsContact CG-CE2 3.41Å; N39-F70 VanDerWaalsContact ND2-CE2 3.31Å; N39-F70 WeakPolarHBondContact ND2-CE2 3.5Å
40	K	91.6	Very high	94.6	Very high	146 Å²	146	25.1 Å²	25.1	64%	0.635	14%	0.14	S	C	*	.			trans	-76	96.2	-176.5	-170.9	174.7	-178	176.8	0	111.6	Y45	K40-Y45 VanDerWaalsContact CA-CD2 3.48Å; K40-Y45 HydrophobicContact CB-CD1 4.08Å; K40-Y45 HydrophobicContact CB-CD2 3.66Å; K40-Y45 HydrophobicContact CB-CE1 4.27Å; K40-Y45 HydrophobicContact CB-CE2 3.84Å; K40-Y45 HydrophobicContact CB-CG 3.78Å; K40-Y45 HydrophobicContact CD-CD1 3.98Å; K40-Y45 HydrophobicContact CD-CE1 4.03Å; K40-Y45 HydrophobicContact CD-CG 4.48Å; K40-Y45 HydrophobicContact CG-CD1 3.8Å; K40-Y45 HydrophobicContact CG-CD2 4.24Å; K40-Y45 HydrophobicContact CG-CE1 4.22Å; K40-Y45 HydrophobicContact CG-CG 3.82Å
41	V	87.1	Confident	94.5	Very high	99 Å²	99	25.2 Å²	25.2	60%	0.6	14%	0.14	S	C	*	.	S	Bend	trans	-105.4	-38.8	174.8	-176.9	0	0	0	0	111.4	E36 N39	E36-V41 HydrophobicContact CG-CB 4.05Å; E36-V41 HydrophobicContact CG-CG2 4.39Å; N39-V41 VanDerWaalsContact ND2-CG2 3.33Å; N39-V41 WeakPolarHBondContact ND2-CG2 3.28Å; N39-V41 PolarHBondContact O-N 3.19Å
42	G	85.1	Confident	94.4	Very high	26 Å²	26	25.2 Å²	25.2	27%	0.268	14%	0.14	S	C	.	.	S	Bend	trans	-153.2	-150.4	-172.2	0	0	0	0	0	113	E36	E36-G42 VanDerWaalsContact CD-N 3.34Å; E36-G42 WeakPolarHBondContact OE2-CA 3.46Å; E36-G42 PolarHBondContact OE2-N 2.9Å
43	G	86.8	Confident	94.1	Very high	32 Å²	32	28.5 Å²	28.5	33%	0.33	16%	0.155	S	C	.	.	H	α-helix	trans	-79.2	-18.9	-176.8	0	0	0	0	0	113.9	Y45 T46 V47	G43-Y45 VanDerWaalsContact C-N 3.32Å; G43-Y45 PolarHBondContact O-N 2.75Å; G43-T46 WeakPolarHBondContact O-CB 3.14Å; G43-T46 PolarHBondContact O-N 2.99Å; G43-T46 VanDerWaalsContact O-N 3.11Å; G43-V47 PolarHBondContact O-N 3.49Å; G43-V47 VanDerWaalsContact O-N 3.08Å
44	I	94.1	Very high	93.9	Very high	18 Å²	18	29.6 Å²	29.6	9%	0.092	16%	0.162	C	C	.	.	H	α-helix	trans	-69.5	-36.2	-177.4	-57.2	169.1	0	0	0	109.8	A34 E36 T46 V47 I48 H180 E181 H205	A34-I44 HydrophobicContact CB-CG2 4.27Å; E36-I44 HydrophobicContact CB-CB 4.28Å; E36-I44 HydrophobicContact CB-CG2 4.44Å; E36-I44 HydrophobicContact CG-CB 4.24Å; E36-I44 WeakPolarHBondContact OE1-CB 3.43Å; E36-I44 PolarHBondContact OE2-N 2.92Å; I44-T46 VanDerWaalsContact C-N 3.27Å; I44-T46 PolarHBondContact O-N 3.46Å; I44-V47 WeakPolarHBondContact O-CB 3.15Å; I44-V47 PolarHBondContact O-N 3.04Å; I44-V47 VanDerWaalsContact O-N 3.15Å; I44-I48 HydrophobicContact CG2-CD1 3.75Å; I44-I48 HydrophobicContact CG2-CG1 4.17Å; I44-I48 WeakPolarHBondContact O-CG1 3.41Å; I44-I48 PolarHBondContact O-N 3.49Å; I44-H180 HydrophobicContact CG2-CB 4.2Å; I44-E181 HydrophobicContact CD1-CB 4.08Å; I44-E181 HydrophobicContact CD1-CG 3.31Å; I44-H205 HydrophobicContact CG1-CB 4.43Å
45	Y	94.6	Very high	93.7	Very high	19 Å²	19	29.8 Å²	29.8	8%	0.075	16%	0.163	C	C	.	.	H	α-helix	trans	-48.9	-50.9	168.2	179.4	-86.8	0	0	0	111.1	E36 K40 G43 V47 I48 Q49 Q77 W107	E36-Y45 WeakPolarHBondContact O-CD2 3.27Å; E36-Y45 WeakPolarHBondContact OE2-CB 3.45Å; E36-Y45 PolarHBondContact OE2-N 2.99Å; K40-Y45 VanDerWaalsContact CA-CD2 3.48Å; K40-Y45 HydrophobicContact CB-CD1 4.08Å; K40-Y45 HydrophobicContact CB-CD2 3.66Å; K40-Y45 HydrophobicContact CB-CE1 4.27Å; K40-Y45 HydrophobicContact CB-CE2 3.84Å; K40-Y45 HydrophobicContact CB-CG 3.78Å; K40-Y45 HydrophobicContact CD-CD1 3.98Å; K40-Y45 HydrophobicContact CD-CE1 4.03Å; K40-Y45 HydrophobicContact CD-CG 4.48Å; K40-Y45 HydrophobicContact CG-CD1 3.8Å; K40-Y45 HydrophobicContact CG-CD2 4.24Å; K40-Y45 HydrophobicContact CG-CE1 4.22Å; K40-Y45 HydrophobicContact CG-CG 3.82Å; G43-Y45 VanDerWaalsContact C-N 3.32Å; G43-Y45 PolarHBondContact O-N 2.75Å; Y45-V47 PolarHBondContact O-N 3.24Å; Y45-I48 PolarHBondContact O-N 3.1Å; Y45-Q49 HydrophobicContact CD1-CB 4.5Å; Y45-Q49 HydrophobicContact CE1-CB 4.37Å; Y45-Q49 VanDerWaalsContact CE1-OE1 3.23Å; Y45-Q49 WeakPolarHBondContact O-CB 3.29Å; Y45-Q49 PolarHBondContact O-N 3.49Å; Y45-Q77 PolarHBondContact OH-OE1 2.97Å; Y45-Q77 VanDerWaalsContact OH-OE1 3.06Å; Y45-W107 HydrophobicContact CD2-CH2 4.21Å; Y45-W107 HydrophobicContact CD2-CZ2 4.09Å; Y45-W107 AromaticContact CE2-CH2 3.99Å; Y45-W107 HydrophobicContact CE2-CH2 3.99Å; Y45-W107 AromaticContact CE2-CZ2 3.42Å; Y45-W107 HydrophobicContact CE2-CZ2 3.42Å; Y45-W107 VanDerWaalsContact CE2-CZ2 3.42Å; Y45-W107 AromaticContact CZ-CZ2 3.67Å
46	T	91.6	Very high	93.6	Very high	33 Å²	33	28.9 Å²	28.9	20%	0.202	16%	0.162	C	C	.	.	H	α-helix	trans	-64.8	-39.5	-179.4	-58.5	0	0	0	0	111.9	G43 I44 T50	G43-T46 WeakPolarHBondContact O-CB 3.14Å; G43-T46 PolarHBondContact O-N 2.99Å; G43-T46 VanDerWaalsContact O-N 3.11Å; I44-T46 VanDerWaalsContact C-N 3.27Å; I44-T46 PolarHBondContact O-N 3.46Å; T46-T50 HydrophobicContact CG2-CG2 4.19Å; T46-T50 WeakPolarHBondContact O-CB 3.46Å; T46-T50 WeakPolarHBondContact O-CG2 3.25Å; T46-T50 PolarHBondContact O-N 3.44Å; T46-T50 PolarHBondContact O-OG1 3.12Å
47	V	94.6	Very high	93.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-58.8	-56.3	175.1	176.7	0	0	0	0	110.7	G43 I44 Y45 Q49 T50 K51 N280 Y514 W598	G43-V47 PolarHBondContact O-N 3.49Å; G43-V47 VanDerWaalsContact O-N 3.08Å; I44-V47 WeakPolarHBondContact O-CB 3.15Å; I44-V47 PolarHBondContact O-N 3.04Å; I44-V47 VanDerWaalsContact O-N 3.15Å; Y45-V47 PolarHBondContact O-N 3.24Å; V47-Q49 PolarHBondContact O-N 2.7Å; V47-T50 PolarHBondContact O-N 2.92Å; V47-T50 PolarHBondContact O-OG1 2.99Å; V47-K51 WeakPolarHBondContact O-CB 3.39Å; V47-K51 PolarHBondContact O-N 3.31Å; V47-N280 HydrophobicContact CG2-CB 4.3Å; V47-N280 WeakPolarHBondContact CG2-OD1 3.43Å; V47-Y514 HydrophobicContact CG2-CE1 4.2Å; V47-Y514 WeakPolarHBondContact CG2-OH 3.34Å; V47-W598 HydrophobicContact CG1-CH2 3.97Å; V47-W598 HydrophobicContact CG1-CZ2 3.95Å
48	I	95.6	Very high	93.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-64.6	-45.9	-174.6	-63.1	175.3	0	0	0	109.4	A34 V37 I44 Y45 T50 K51 A52 L65 W107	A34-I48 HydrophobicContact CB-CD1 3.3Å; V37-I48 HydrophobicContact CG2-CD1 4.1Å; V37-I48 HydrophobicContact CG2-CG2 4.47Å; I44-I48 HydrophobicContact CG2-CD1 3.75Å; I44-I48 HydrophobicContact CG2-CG1 4.17Å; I44-I48 WeakPolarHBondContact O-CG1 3.41Å; I44-I48 PolarHBondContact O-N 3.49Å; Y45-I48 PolarHBondContact O-N 3.1Å; I48-T50 PolarHBondContact O-N 2.94Å; I48-K51 PolarHBondContact O-N 3.33Å; I48-A52 VanDerWaalsContact O-CB 3.31Å; I48-A52 WeakPolarHBondContact O-CB 3.46Å; I48-A52 PolarHBondContact O-N 2.96Å; I48-L65 HydrophobicContact CG2-CD1 3.92Å; I48-L65 HydrophobicContact CG2-CD2 3.48Å; I48-L65 VanDerWaalsContact CG2-CD2 3.48Å; I48-L65 HydrophobicContact CG2-CG 4.38Å; I48-W107 HydrophobicContact CG2-CZ3 3.9Å
49	Q	94.9	Very high	93	Very high	60 Å²	60	36 Å²	36	28%	0.28	20%	0.199	S	C	.	.	H	α-helix	trans	-58.2	-48.6	179.5	-179.1	-175.7	38.4	0	0	112.1	Y45 V47 W107 I109	Y45-Q49 HydrophobicContact CD1-CB 4.5Å; Y45-Q49 HydrophobicContact CE1-CB 4.37Å; Y45-Q49 VanDerWaalsContact CE1-OE1 3.23Å; Y45-Q49 WeakPolarHBondContact O-CB 3.29Å; Y45-Q49 PolarHBondContact O-N 3.49Å; V47-Q49 PolarHBondContact O-N 2.7Å; Q49-W107 HydrophobicContact CB-CH2 3.99Å; Q49-W107 HydrophobicContact CB-CZ2 4.37Å; Q49-I109 HydrophobicContact CB-CD1 4.37Å; Q49-I109 HydrophobicContact CG-CB 4.31Å; Q49-I109 HydrophobicContact CG-CD1 4.03Å; Q49-I109 HydrophobicContact CG-CG2 4Å
50	T	92.9	Very high	92.9	Very high	21 Å²	21	36.9 Å²	36.9	13%	0.129	21%	0.213	C	C	.	.	H	α-helix	trans	-75.3	-37	-176.5	56.7	0	0	0	0	111.8	T46 V47 I48 A52 N283 W598	T46-T50 HydrophobicContact CG2-CG2 4.19Å; T46-T50 WeakPolarHBondContact O-CB 3.46Å; T46-T50 WeakPolarHBondContact O-CG2 3.25Å; T46-T50 PolarHBondContact O-N 3.44Å; T46-T50 PolarHBondContact O-OG1 3.12Å; V47-T50 PolarHBondContact O-N 2.92Å; V47-T50 PolarHBondContact O-OG1 2.99Å; I48-T50 PolarHBondContact O-N 2.94Å; T50-A52 VanDerWaalsContact C-N 3.31Å; T50-A52 PolarHBondContact O-N 3.31Å; T50-N283 VanDerWaalsContact O-CG 3.31Å; T50-N283 PolarHBondContact O-ND2 3.37Å; T50-N283 PolarHBondContact O-OD1 2.76Å; T50-W598 PolarHBondContact OG1-NE1 2.91Å
51	K	95.9	Very high	92.9	Very high	1 Å²	1	34.3 Å²	34.3	0%	0.004	21%	0.207	C	C	.	.	H	α-helix	trans	-71.3	-23.7	177.4	-169.6	-177	59.2	69.1	0	113.4	E32 V47 I48 K53 T54 T55 W598 Y605	E32-K51 VanDerWaalsContact OE1-CE 3.22Å; E32-K51 WeakPolarHBondContact OE1-CE 3.36Å; E32-K51 IonicContact OE1-NZ 3.62Å; E32-K51 PolarHBondContact OE1-NZ 3.41Å; E32-K51 IonicContact OE2-NZ 3.72Å; E32-K51 PolarHBondContact OE2-NZ 3.35Å; V47-K51 WeakPolarHBondContact O-CB 3.39Å; V47-K51 PolarHBondContact O-N 3.31Å; I48-K51 PolarHBondContact O-N 3.33Å; K51-K53 VanDerWaalsContact C-N 3.26Å; K51-K53 PolarHBondContact O-N 3.3Å; K51-T54 PolarHBondContact O-N 2.94Å; K51-T54 VanDerWaalsContact O-N 3.12Å; K51-T55 PolarHBondContact NZ-OG1 3.19Å; K51-T55 PolarHBondContact O-N 2.91Å; K51-T55 PolarHBondContact O-OG1 3.46Å; K51-W598 HydrophobicContact CB-CD2 3.93Å; K51-W598 HydrophobicContact CB-CE3 4.32Å; K51-W598 HydrophobicContact CB-CG 4.46Å; K51-W598 HydrophobicContact CB-CH2 4.16Å; K51-W598 HydrophobicContact CB-CZ2 3.76Å; K51-W598 HydrophobicContact CB-CZ3 4.43Å; K51-W598 HydrophobicContact CD-CE3 4.28Å; K51-W598 HydrophobicContact CD-CH2 3.95Å; K51-W598 HydrophobicContact CD-CZ2 4.42Å; K51-W598 HydrophobicContact CD-CZ3 3.89Å; K51-W598 HydrophobicContact CG-CD2 3.98Å; K51-W598 HydrophobicContact CG-CE3 3.91Å; K51-W598 HydrophobicContact CG-CH2 4.18Å; K51-W598 HydrophobicContact CG-CZ2 4.25Å; K51-W598 HydrophobicContact CG-CZ3 4.02Å; K51-Y605 HydrophobicContact CD-CD1 3.97Å; K51-Y605 HydrophobicContact CD-CD2 4.13Å; K51-Y605 HydrophobicContact CD-CE1 3.74Å; K51-Y605 HydrophobicContact CD-CE2 3.92Å; K51-Y605 HydrophobicContact CD-CG 4.16Å
52	A	95.7	Very high	93.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-52	-43.9	-173.9	0	0	0	0	0	112.4	I48 T50 T55 A56 I109 P113	I48-A52 VanDerWaalsContact O-CB 3.31Å; I48-A52 WeakPolarHBondContact O-CB 3.46Å; I48-A52 PolarHBondContact O-N 2.96Å; T50-A52 VanDerWaalsContact C-N 3.31Å; T50-A52 PolarHBondContact O-N 3.31Å; A52-T55 PolarHBondContact O-N 3.49Å; A52-A56 VanDerWaalsContact O-CB 3.24Å; A52-A56 WeakPolarHBondContact O-CB 3.31Å; A52-A56 PolarHBondContact O-N 2.86Å; A52-I109 HydrophobicContact CB-CD1 3.66Å; A52-P113 HydrophobicContact CB-CG 4.03Å
53	K	94	Very high	93.9	Very high	69 Å²	69	29.5 Å²	29.5	30%	0.3	17%	0.172	S	C	.	.	H	α-helix	trans	-58.8	-52.6	177.7	176.7	164.1	174.1	40.8	0	112.4	K51 T55 A56 D57 E110	K51-K53 VanDerWaalsContact C-N 3.26Å; K51-K53 PolarHBondContact O-N 3.3Å; K53-T55 VanDerWaalsContact C-N 3.28Å; K53-T55 PolarHBondContact O-N 3.41Å; K53-A56 PolarHBondContact O-N 3.34Å; K53-D57 VanDerWaalsContact NZ-CG 3.35Å; K53-D57 IonicContact NZ-OD1 3.66Å; K53-D57 PolarHBondContact NZ-OD1 2.86Å; K53-D57 IonicContact NZ-OD2 2.63Å; K53-D57 PolarHBondContact NZ-OD2 3.46Å; K53-D57 WeakPolarHBondContact O-CB 3.45Å; K53-D57 PolarHBondContact O-N 3.45Å; K53-E110 HydrophobicContact CB-CB 4.19Å; K53-E110 HydrophobicContact CD-CB 4.26Å
54	T	93.2	Very high	94.5	Very high	24 Å²	24	28 Å²	28	15%	0.147	16%	0.156	C	C	.	.	H	α-helix	trans	-62.5	-38	-179.6	-57.7	0	0	0	0	111.7	K51 E58 W598	K51-T54 PolarHBondContact O-N 2.94Å; K51-T54 VanDerWaalsContact O-N 3.12Å; T54-E58 PolarHBondContact O-N 3.01Å; T54-W598 HydrophobicContact CG2-CB 4.41Å; T54-W598 VanDerWaalsContact OG1-CB 3.31Å; T54-W598 WeakPolarHBondContact OG1-CB 3.27Å
55	T	95.2	Very high	94.7	Very high	4 Å²	4	27.2 Å²	27.2	3%	0.025	15%	0.152	C	C	.	.	H	α-helix	trans	-69.8	-40.3	177.2	-53.2	0	0	0	0	111.5	L30 K51 A52 K53 E58 W59 Y63	L30-T55 HydrophobicContact CD2-CG2 3.76Å; K51-T55 PolarHBondContact NZ-OG1 3.19Å; K51-T55 PolarHBondContact O-N 2.91Å; K51-T55 PolarHBondContact O-OG1 3.46Å; A52-T55 PolarHBondContact O-N 3.49Å; K53-T55 VanDerWaalsContact C-N 3.28Å; K53-T55 PolarHBondContact O-N 3.41Å; T55-E58 PolarHBondContact O-N 3.39Å; T55-W59 HydrophobicContact CG2-CG 4.45Å; T55-W59 WeakPolarHBondContact O-CB 3.4Å; T55-W59 PolarHBondContact O-N 3.27Å; T55-Y63 HydrophobicContact CG2-CD1 3.97Å; T55-Y63 HydrophobicContact CG2-CD2 3.72Å; T55-Y63 HydrophobicContact CG2-CE1 3.87Å; T55-Y63 HydrophobicContact CG2-CE2 3.61Å; T55-Y63 HydrophobicContact CG2-CG 3.89Å
56	A	94.7	Very high	94.9	Very high	15 Å²	15	26.3 Å²	26.3	12%	0.124	15%	0.148	C	C	.	.	H	α-helix	trans	-69.1	-36.8	177.6	0	0	0	0	0	112.5	A52 K53 E58 G60 Y63	A52-A56 VanDerWaalsContact O-CB 3.24Å; A52-A56 WeakPolarHBondContact O-CB 3.31Å; A52-A56 PolarHBondContact O-N 2.86Å; K53-A56 PolarHBondContact O-N 3.34Å; A56-E58 PolarHBondContact O-N 3.31Å; A56-G60 WeakPolarHBondContact O-CA 3.48Å; A56-G60 PolarHBondContact O-N 2.86Å; A56-Y63 HydrophobicContact CB-CD1 4.28Å
57	D	93	Very high	95.2	Very high	111 Å²	111	24.7 Å²	24.7	59%	0.594	14%	0.138	S	C	*	.	H	α-helix	trans	-62.2	-28.2	174	-70	-18.6	0	0	0	111.3	K53	K53-D57 VanDerWaalsContact NZ-CG 3.35Å; K53-D57 IonicContact NZ-OD1 3.66Å; K53-D57 PolarHBondContact NZ-OD1 2.86Å; K53-D57 IonicContact NZ-OD2 2.63Å; K53-D57 PolarHBondContact NZ-OD2 3.46Å; K53-D57 WeakPolarHBondContact O-CB 3.45Å; K53-D57 PolarHBondContact O-N 3.45Å
58	E	92	Very high	95.4	Very high	50 Å²	50	24.7 Å²	24.7	23%	0.234	14%	0.138	C	C	.	.	H	α-helix	trans	-87.2	-44.9	176	178.7	-167.7	148.8	0	0	113	T54 T55 A56 Q606 R609	T54-E58 PolarHBondContact O-N 3.01Å; T55-E58 PolarHBondContact O-N 3.39Å; A56-E58 PolarHBondContact O-N 3.31Å; E58-Q606 VanDerWaalsContact CD-NE2 3.27Å; E58-Q606 WeakPolarHBondContact OE2-CG 3.48Å; E58-Q606 PolarHBondContact OE2-NE2 2.95Å; E58-R609 IonicContact OE1-NH1 3.49Å; E58-R609 IonicContact OE2-NH1 2.68Å
59	W	94.6	Very high	95.5	Very high	5 Å²	5	26.6 Å²	26.6	2%	0.019	15%	0.146	C	C	.	.	H	α-helix	trans	-99.6	-15.7	-168.9	-75.8	72.7	0	0	0	114.9	L23 V25 L28 L30 T55 D61 N62 V176 R609	L23-W59 HydrophobicContact CD1-CH2 4.31Å; L23-W59 HydrophobicContact CD1-CZ2 3.58Å; V25-W59 HydrophobicContact CG1-CB 4.36Å; V25-W59 HydrophobicContact CG1-CD2 4.32Å; V25-W59 HydrophobicContact CG1-CE3 4.13Å; V25-W59 HydrophobicContact CG1-CG 4.46Å; V25-W59 HydrophobicContact CG2-CD2 4.4Å; L28-W59 HydrophobicContact CB-CH2 3.84Å; L28-W59 HydrophobicContact CB-CZ3 3.5Å; L28-W59 HydrophobicContact CD1-CH2 3.85Å; L28-W59 HydrophobicContact CD1-CZ3 4.32Å; L30-W59 HydrophobicContact CB-CD2 3.73Å; L30-W59 HydrophobicContact CB-CE3 3.37Å; L30-W59 HydrophobicContact CB-CH2 3.83Å; L30-W59 HydrophobicContact CB-CZ2 4.16Å; L30-W59 HydrophobicContact CB-CZ3 3.43Å; L30-W59 VanDerWaalsContact CB-CZ3 3.43Å; L30-W59 HydrophobicContact CD2-CD2 3.8Å; L30-W59 HydrophobicContact CD2-CE3 4.34Å; L30-W59 HydrophobicContact CD2-CG 4.07Å; L30-W59 HydrophobicContact CD2-CZ2 4.12Å; L30-W59 HydrophobicContact CG-CD2 4.42Å; L30-W59 HydrophobicContact CG-CE3 4.49Å; T55-W59 HydrophobicContact CG2-CG 4.45Å; T55-W59 WeakPolarHBondContact O-CB 3.4Å; T55-W59 PolarHBondContact O-N 3.27Å; W59-D61 PolarHBondContact O-N 2.66Å; W59-N62 HydrophobicContact CE3-CB 4.34Å; W59-N62 WeakPolarHBondContact O-CB 3.49Å; W59-N62 PolarHBondContact O-N 3.3Å; W59-N62 VanDerWaalsContact O-N 3.14Å; W59-V176 HydrophobicContact CH2-CG2 4.46Å; W59-R609 VanDerWaalsContact NE1-NH1 3.17Å
60	G	93.4	Very high	95.5	Very high	41 Å²	41	27.1 Å²	27.1	42%	0.423	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	52.5	-133.1	-175.7	0	0	0	0	0	112.7	A56 N62 Y63	A56-G60 WeakPolarHBondContact O-CA 3.48Å; A56-G60 PolarHBondContact O-N 2.86Å; G60-N62 PolarHBondContact O-N 2.98Å; G60-Y63 PolarHBondContact O-N 2.95Å
61	D	92.8	Very high	95.6	Very high	92 Å²	92	31.4 Å²	31.4	49%	0.492	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-75	-2.2	-177.8	-65.4	-30.9	0	0	0	114	W59 Y63 F64 R106 Y114	W59-D61 PolarHBondContact O-N 2.66Å; D61-Y63 VanDerWaalsContact C-N 3.31Å; D61-F64 WeakPolarHBondContact O-CE2 3.48Å; D61-F64 VanDerWaalsContact O-CZ 3.23Å; D61-F64 WeakPolarHBondContact O-CZ 3.45Å; D61-R106 IonicContact OD1-NH2 2.64Å; D61-Y114 HydrophobicContact CB-CE2 4.07Å
62	N	95.4	Very high	95.5	Very high	24 Å²	24	37.8 Å²	37.8	13%	0.128	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-88.2	4.1	175.1	-69.5	-25.1	0	0	0	113.1	V25 L28 L29 L30 W59 G60 K173	V25-N62 PolarHBondContact O-ND2 3.24Å; L28-N62 WeakPolarHBondContact O-CB 3.36Å; L28-N62 VanDerWaalsContact O-CG 3.31Å; L28-N62 PolarHBondContact O-ND2 2.84Å; L29-N62 HydrophobicContact CD2-CB 4.18Å; L30-N62 PolarHBondContact N-O 3.3Å; W59-N62 HydrophobicContact CE3-CB 4.34Å; W59-N62 WeakPolarHBondContact O-CB 3.49Å; W59-N62 PolarHBondContact O-N 3.3Å; W59-N62 VanDerWaalsContact O-N 3.14Å; G60-N62 PolarHBondContact O-N 2.98Å; N62-K173 PolarHBondContact OD1-NZ 3.42Å
63	Y	97.5	Very high	95.5	Very high	1 Å²	1	39 Å²	39	0%	0.004	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	123.8	178.8	172.1	-129.5	0	0	0	112.8	L30 E32 T55 A56 G60 D61 L65 P113	L30-Y63 HydrophobicContact CB-CD2 4.38Å; L30-Y63 HydrophobicContact CD2-CD2 3.68Å; L30-Y63 HydrophobicContact CD2-CE2 4.09Å; L30-Y63 HydrophobicContact CG-CD2 3.94Å; L30-Y63 HydrophobicContact CG-CE2 4.44Å; E32-Y63 HydrophobicContact CB-CE2 3.98Å; E32-Y63 PolarHBondContact OE2-OH 3.45Å; T55-Y63 HydrophobicContact CG2-CD1 3.97Å; T55-Y63 HydrophobicContact CG2-CD2 3.72Å; T55-Y63 HydrophobicContact CG2-CE1 3.87Å; T55-Y63 HydrophobicContact CG2-CE2 3.61Å; T55-Y63 HydrophobicContact CG2-CG 3.89Å; A56-Y63 HydrophobicContact CB-CD1 4.28Å; G60-Y63 PolarHBondContact O-N 2.95Å; D61-Y63 VanDerWaalsContact C-N 3.31Å; Y63-L65 HydrophobicContact CE1-CG 4.49Å; Y63-L65 HydrophobicContact CE2-CD2 4.29Å; Y63-L65 HydrophobicContact CE2-CG 4.27Å; Y63-L65 WeakPolarHBondContact OH-CD2 3.33Å; Y63-P113 HydrophobicContact CD1-CB 3.87Å; Y63-P113 HydrophobicContact CE1-CB 3.64Å
64	F	98.4	Very high	95.5	Very high	1 Å²	1	35.8 Å²	35.8	0%	0.004	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	138	-178.2	-56.8	-90.2	0	0	0	110.4	L29 L30 F31 E32 D61 N85 V88 F104 Y114	L29-F64 HydrophobicContact CD2-CE2 4.21Å; L30-F64 PolarHBondContact O-N 3.5Å; F31-F64 CarbonylContact C-O 3.57Å; F31-F64 WeakPolarHBondContact CA-O 3.39Å; F31-F64 HydrophobicContact CD1-CB 3.54Å; F31-F64 HydrophobicContact CD1-CD2 4.27Å; F31-F64 HydrophobicContact CD1-CG 4.13Å; F31-F64 HydrophobicContact CE1-CB 3.66Å; F31-F64 AromaticContact CE1-CD2 3.74Å; F31-F64 HydrophobicContact CE1-CD2 3.74Å; F31-F64 AromaticContact CE1-CG 3.72Å; F31-F64 HydrophobicContact CE1-CG 3.72Å; F31-F64 HydrophobicContact CG-CB 4.47Å; F31-F64 AromaticContact CZ-CD2 3.99Å; F31-F64 HydrophobicContact CZ-CD2 3.99Å; F31-F64 HydrophobicContact CZ-CG 4.41Å; E32-F64 PolarHBondContact N-O 3.41Å; D61-F64 WeakPolarHBondContact O-CE2 3.48Å; D61-F64 VanDerWaalsContact O-CZ 3.23Å; D61-F64 WeakPolarHBondContact O-CZ 3.45Å; F64-N85 HydrophobicContact CZ-CB 3.9Å; F64-V88 HydrophobicContact CD1-CG2 4.37Å; F64-V88 HydrophobicContact CE1-CG1 4.42Å; F64-V88 HydrophobicContact CE1-CG2 3.96Å; F64-V88 HydrophobicContact CE2-CG2 4.26Å; F64-V88 HydrophobicContact CZ-CG2 3.91Å; F64-F104 HydrophobicContact CD1-CE2 4.08Å; F64-F104 HydrophobicContact CE1-CE2 4.08Å; F64-F104 HydrophobicContact CE1-CZ 4.19Å; F64-Y114 HydrophobicContact CD1-CD2 4.4Å; F64-Y114 HydrophobicContact CD1-CG 4.25Å; F64-Y114 AromaticContact CE1-CD2 3.97Å; F64-Y114 HydrophobicContact CE1-CD2 3.97Å; F64-Y114 HydrophobicContact CE1-CG 4.1Å
65	L	98.7	Very high	95.5	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	138.3	171.1	-75.5	166.5	0	0	0	110.1	E32 V37 I48 Y63 W107 P113 Y114 V115 V116	E32-L65 HydrophobicContact CB-CD2 3.83Å; E32-L65 HydrophobicContact CG-CD2 4.19Å; E32-L65 CarbonylContact O-C 3.47Å; E32-L65 VanDerWaalsContact O-CA 3.3Å; E32-L65 WeakPolarHBondContact O-CA 3.44Å; V37-L65 HydrophobicContact CG1-CB 3.88Å; V37-L65 HydrophobicContact CG2-CB 4.2Å; V37-L65 HydrophobicContact CG2-CD2 4.03Å; I48-L65 HydrophobicContact CG2-CD1 3.92Å; I48-L65 HydrophobicContact CG2-CD2 3.48Å; I48-L65 VanDerWaalsContact CG2-CD2 3.48Å; I48-L65 HydrophobicContact CG2-CG 4.38Å; Y63-L65 HydrophobicContact CE1-CG 4.49Å; Y63-L65 HydrophobicContact CE2-CD2 4.29Å; Y63-L65 HydrophobicContact CE2-CG 4.27Å; Y63-L65 WeakPolarHBondContact OH-CD2 3.33Å; L65-W107 HydrophobicContact CD1-CE3 3.75Å; L65-W107 HydrophobicContact CD1-CZ3 4.02Å; L65-P113 HydrophobicContact CD1-CB 4Å; L65-P113 HydrophobicContact CD1-CG 3.67Å; L65-Y114 PolarHBondContact N-O 3.29Å; L65-V115 HydrophobicContact CB-CG1 3.92Å; L65-V115 CarbonylContact O-C 3.6Å; L65-V115 VanDerWaalsContact O-CA 3.27Å; L65-V115 WeakPolarHBondContact O-CA 3.46Å; L65-V116 PolarHBondContact O-N 2.94Å
66	I	98.8	Very high	95.5	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	129.5	178.9	-57.1	-174.2	0	0	0	109.7	F31 E32 V33 A34 V37 V116 F118 F155 T159 F162 L163	F31-I66 HydrophobicContact CB-CD1 4.03Å; F31-I66 HydrophobicContact CD1-CD1 3.79Å; F31-I66 HydrophobicContact CD1-CG1 4.19Å; F31-I66 HydrophobicContact CG-CD1 4.23Å; E32-I66 PolarHBondContact O-N 3.24Å; V33-I66 HydrophobicContact CB-CB 4.33Å; V33-I66 HydrophobicContact CG1-CB 4.07Å; V33-I66 HydrophobicContact CG1-CG2 4.12Å; V33-I66 HydrophobicContact CG2-CB 4.05Å; V33-I66 HydrophobicContact CG2-CD1 4.1Å; V33-I66 HydrophobicContact CG2-CG1 4.34Å; A34-I66 PolarHBondContact N-O 2.92Å; A34-I66 VanDerWaalsContact N-O 3.08Å; V37-I66 WeakPolarHBondContact CG2-O 3.46Å; I66-V116 WeakPolarHBondContact CA-O 3.44Å; I66-V116 HydrophobicContact CG1-CB 4.34Å; I66-F118 HydrophobicContact CG2-CD2 3.98Å; I66-F118 HydrophobicContact CG2-CE2 3.33Å; I66-F118 HydrophobicContact CG2-CZ 4.02Å; I66-F155 HydrophobicContact CG2-CE2 4.2Å; I66-F155 HydrophobicContact CG2-CZ 4.29Å; I66-T159 HydrophobicContact CD1-CG2 4.38Å; I66-T159 HydrophobicContact CG2-CG2 4.42Å; I66-F162 HydrophobicContact CD1-CD1 3.8Å; I66-F162 HydrophobicContact CD1-CE1 3.9Å; I66-L163 HydrophobicContact CD1-CD2 4.48Å
67	G	98.4	Very high	95.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	171.7	-179.1	0	0	0	0	0	114.5	V116 L117 F118	G67-V116 PolarHBondContact N-O 2.92Å; G67-L117 VanDerWaalsContact O-CA 3.28Å; G67-L117 WeakPolarHBondContact O-CA 3.04Å; G67-F118 PolarHBondContact O-N 2.98Å
68	P	97.5	Very high	95.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	144.8	169.5	30.9	-36.5	0	0	0	111.5	W35 F70	W35-P68 HydrophobicContact CD2-CG 3.88Å; W35-P68 HydrophobicContact CE3-CB 4.18Å; W35-P68 HydrophobicContact CE3-CG 3.84Å; W35-P68 HydrophobicContact CG-CG 4.45Å; W35-P68 HydrophobicContact CH2-CB 4.15Å; W35-P68 HydrophobicContact CH2-CG 4.38Å; W35-P68 HydrophobicContact CZ2-CG 4.38Å; W35-P68 HydrophobicContact CZ3-CB 3.96Å; W35-P68 HydrophobicContact CZ3-CG 4.12Å; W35-P68 WeakPolarHBondContact O-CD 3.49Å; W35-P68 WeakPolarHBondContact O-CG 3.38Å; P68-F70 HydrophobicContact CB-CE2 3.91Å; P68-F70 HydrophobicContact CB-CZ 4.31Å; P68-F70 HydrophobicContact CG-CD2 4.4Å; P68-F70 HydrophobicContact CG-CE2 3.6Å; P68-F70 HydrophobicContact CG-CZ 4.28Å
69	Y	97.6	Very high	96	Very high	40 Å²	40	44.9 Å²	44.9	16%	0.157	23%	0.226	C	C	.	.			trans	-80.5	132.4	173.6	171.8	-96.8	0	0	0	111.3	E71 M74 H103 L117 F118 D119	Y69-E71 HydrophobicContact CE1-CB 4.24Å; Y69-M74 HydrophobicContact CD2-CB 4.28Å; Y69-M74 HydrophobicContact CD2-CG 4.45Å; Y69-M74 HydrophobicContact CD2-SD 4.38Å; Y69-M74 HydrophobicContact CE2-CB 3.7Å; Y69-M74 HydrophobicContact CE2-CG 3.8Å; Y69-M74 HydrophobicContact CE2-SD 4.25Å; Y69-H103 HydrophobicContact CD2-CB 4.27Å; Y69-H103 AromaticContact CD2-CD2 3.28Å; Y69-H103 WeakPolarHBondContact CD2-CD2 3.29Å; Y69-H103 AromaticContact CD2-CG 3.83Å; Y69-H103 AromaticContact CD2-NE2 3.86Å; Y69-H103 AromaticContact CE2-CD2 3.52Å; Y69-H103 AromaticContact CE2-CG 3.92Å; Y69-H103 AromaticContact CE2-NE2 3.66Å; Y69-H103 AromaticContact CG-CD2 3.69Å; Y69-H103 AromaticContact CZ-NE2 3.84Å; Y69-L117 HydrophobicContact CD2-CB 4.47Å; Y69-F118 WeakPolarHBondContact CB-O 3.46Å; Y69-F118 PolarHBondContact N-O 3.22Å; Y69-D119 HydrophobicContact CD1-CB 4.09Å; Y69-D119 HydrophobicContact CG-CB 4.49Å
70	F	96	Very high	96.1	Very high	70 Å²	70	51.3 Å²	51.3	31%	0.307	26%	0.256	S	S	.	.			trans	-133.2	123.8	166.7	-63.7	-78	0	0	0	109.3	W35 N39 P68 H72 N73 M74	W35-F70 HydrophobicContact CZ2-CZ 4.18Å; N39-F70 HydrophobicContact CB-CD2 3.99Å; N39-F70 HydrophobicContact CB-CE2 3.85Å; N39-F70 VanDerWaalsContact CG-CE2 3.41Å; N39-F70 VanDerWaalsContact ND2-CE2 3.31Å; N39-F70 WeakPolarHBondContact ND2-CE2 3.5Å; P68-F70 HydrophobicContact CB-CE2 3.91Å; P68-F70 HydrophobicContact CB-CZ 4.31Å; P68-F70 HydrophobicContact CG-CD2 4.4Å; P68-F70 HydrophobicContact CG-CE2 3.6Å; P68-F70 HydrophobicContact CG-CZ 4.28Å; F70-H72 VanDerWaalsContact C-N 3.32Å; F70-H72 PolarHBondContact O-N 3.11Å; F70-N73 HydrophobicContact CB-CB 4.15Å; F70-N73 PolarHBondContact O-N 2.87Å; F70-M74 PolarHBondContact O-N 3.29Å
71	E	94.9	Very high	96.1	Very high	111 Å²	111	51.5 Å²	51.5	52%	0.519	25%	0.251	S	S	.	.	H	α-helix	trans	-54.6	-44.6	-172.5	-174.2	-175.5	179.7	0	0	113.1	Y69 M74 K75	Y69-E71 HydrophobicContact CE1-CB 4.24Å; E71-M74 PolarHBondContact O-N 3.07Å; E71-K75 HydrophobicContact CG-CD 4.43Å; E71-K75 WeakPolarHBondContact O-CG 3.44Å; E71-K75 PolarHBondContact O-N 2.72Å; E71-K75 VanDerWaalsContact O-N 3.17Å; E71-K75 WeakPolarHBondContact OE1-CE 3.49Å; E71-K75 IonicContact OE1-NZ 3.77Å; E71-K75 PolarHBondContact OE1-NZ 3.38Å
72	H	94.5	Very high	96.2	Very high	136 Å²	136	54.2 Å²	54.2	63%	0.63	26%	0.261	S	S	*	.	H	α-helix	trans	-63.3	-43.3	178.8	-179.6	72.2	0	0	0	112.4	F70 K75 T76	F70-H72 VanDerWaalsContact C-N 3.32Å; F70-H72 PolarHBondContact O-N 3.11Å; H72-K75 PolarHBondContact O-N 3.49Å; H72-T76 WeakPolarHBondContact O-CG2 3.39Å; H72-T76 PolarHBondContact O-N 3.48Å; H72-T76 PolarHBondContact O-OG1 2.78Å
73	N	94.6	Very high	96	Very high	24 Å²	24	53.4 Å²	53.4	13%	0.128	26%	0.257	C	S	.	.	H	α-helix	trans	-70.2	-38.5	-179	-62.9	-8.3	0	0	0	110.8	T38 F70 K75 T76 Q77	T38-N73 WeakPolarHBondContact O-CB 3.4Å; T38-N73 PolarHBondContact O-ND2 3.06Å; F70-N73 HydrophobicContact CB-CB 4.15Å; F70-N73 PolarHBondContact O-N 2.87Å; N73-K75 VanDerWaalsContact C-N 3.34Å; N73-K75 PolarHBondContact O-N 2.91Å; N73-T76 PolarHBondContact O-N 2.76Å; N73-T76 PolarHBondContact O-OG1 3.1Å; N73-Q77 WeakPolarHBondContact O-CB 3.33Å; N73-Q77 PolarHBondContact O-N 3.21Å
74	M	93.9	Very high	95.6	Very high	3 Å²	3	57.7 Å²	57.7	2%	0.015	28%	0.283	C	S	.	.	H	α-helix	trans	-56.5	-48.5	174.6	-171.1	73.6	-172.6	0	0	111.3	Y69 F70 E71 T76 V78 Q80 H103 L117	Y69-M74 HydrophobicContact CD2-CB 4.28Å; Y69-M74 HydrophobicContact CD2-CG 4.45Å; Y69-M74 HydrophobicContact CD2-SD 4.38Å; Y69-M74 HydrophobicContact CE2-CB 3.7Å; Y69-M74 HydrophobicContact CE2-CG 3.8Å; Y69-M74 HydrophobicContact CE2-SD 4.25Å; F70-M74 PolarHBondContact O-N 3.29Å; E71-M74 PolarHBondContact O-N 3.07Å; M74-T76 VanDerWaalsContact C-N 3.29Å; M74-T76 PolarHBondContact O-N 3.27Å; M74-V78 HydrophobicContact CE-CB 4.01Å; M74-V78 HydrophobicContact CE-CG1 3.54Å; M74-V78 PolarHBondContact O-N 2.85Å; M74-V78 HydrophobicContact SD-CB 3.7Å; M74-V78 HydrophobicContact SD-CG1 3.77Å; M74-V78 HydrophobicContact SD-CG2 4.03Å; M74-Q80 HydrophobicContact CE-CG 3.25Å; M74-H103 HydrophobicContact CE-CB 4.3Å; M74-L117 HydrophobicContact SD-CD1 3.73Å
75	K	94.6	Very high	95.3	Very high	154 Å²	154	59 Å²	59	67%	0.67	29%	0.29	S	S	*	.	H	α-helix	trans	-67.8	-25.9	-177.9	-70.8	176	-174.8	173	0	113.9	E71 H72 N73	E71-K75 HydrophobicContact CG-CD 4.43Å; E71-K75 WeakPolarHBondContact O-CG 3.44Å; E71-K75 PolarHBondContact O-N 2.72Å; E71-K75 VanDerWaalsContact O-N 3.17Å; E71-K75 WeakPolarHBondContact OE1-CE 3.49Å; E71-K75 IonicContact OE1-NZ 3.77Å; E71-K75 PolarHBondContact OE1-NZ 3.38Å; H72-K75 PolarHBondContact O-N 3.49Å; N73-K75 VanDerWaalsContact C-N 3.34Å; N73-K75 PolarHBondContact O-N 2.91Å
76	T	94.5	Very high	95	Very high	78 Å²	78	62.4 Å²	62.4	48%	0.479	31%	0.308	S	S	.	.	H	α-helix	trans	-104.4	-25.4	-172	51.9	0	0	0	0	113.6	H72 N73 M74	H72-T76 WeakPolarHBondContact O-CG2 3.39Å; H72-T76 PolarHBondContact O-N 3.48Å; H72-T76 PolarHBondContact O-OG1 2.78Å; N73-T76 PolarHBondContact O-N 2.76Å; N73-T76 PolarHBondContact O-OG1 3.1Å; M74-T76 VanDerWaalsContact C-N 3.29Å; M74-T76 PolarHBondContact O-N 3.27Å
77	Q	95.9	Very high	94.8	Very high	37 Å²	37	62.6 Å²	62.6	17%	0.173	31%	0.31	C	S	.	.	H	α-helix	trans	-123.5	-10.2	-171	-61.2	178.9	63.3	0	0	114	T38 Y45 N73 L108	T38-Q77 PolarHBondContact O-NE2 3.25Å; Y45-Q77 PolarHBondContact OH-OE1 2.97Å; Y45-Q77 VanDerWaalsContact OH-OE1 3.06Å; N73-Q77 WeakPolarHBondContact O-CB 3.33Å; N73-Q77 PolarHBondContact O-N 3.21Å; Q77-L108 VanDerWaalsContact O-CB 3.31Å; Q77-L108 WeakPolarHBondContact O-CB 3.48Å; Q77-L108 WeakPolarHBondContact O-CG 3.45Å; Q77-L108 PolarHBondContact O-N 2.91Å
78	V	97.6	Very high	94.7	Very high	13 Å²	13	62.6 Å²	62.6	8%	0.079	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	128.3	-172.2	-174.8	0	0	0	0	111.7	T38 M74 R106 V115 L117	T38-V78 HydrophobicContact CG2-CG2 3.8Å; M74-V78 HydrophobicContact CE-CB 4.01Å; M74-V78 HydrophobicContact CE-CG1 3.54Å; M74-V78 PolarHBondContact O-N 2.85Å; M74-V78 HydrophobicContact SD-CB 3.7Å; M74-V78 HydrophobicContact SD-CG1 3.77Å; M74-V78 HydrophobicContact SD-CG2 4.03Å; V78-R106 WeakPolarHBondContact CA-O 3.5Å; V78-V115 HydrophobicContact CG1-CG2 3.74Å; V78-V115 HydrophobicContact CG2-CG2 4.3Å; V78-L117 HydrophobicContact CG2-CD1 4.2Å
79	E	97.2	Very high	94.7	Very high	112 Å²	112	66.4 Å²	66.4	52%	0.523	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	115.3	167.6	-177.6	177.6	-166.3	0	0	109.4	G105 R106 L108	E79-G105 CarbonylContact O-C 3.56Å; E79-G105 WeakPolarHBondContact O-CA 3.43Å; E79-R106 PolarHBondContact N-O 3.47Å; E79-R106 PolarHBondContact O-N 3.2Å; E79-L108 HydrophobicContact CB-CD2 3.97Å; E79-L108 HydrophobicContact CB-CG 4.43Å
80	Q	95.6	Very high	94.6	Very high	140 Å²	140	70.1 Å²	70.1	65%	0.654	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	133.2	177.9	-73.1	-179.4	23.1	0	0	110.7	M74	M74-Q80 HydrophobicContact CE-CG 3.25Å
81	C	94.8	Very high	94.6	Very high	46 Å²	46	66.8 Å²	66.8	31%	0.311	32%	0.323	S	S	.	.			trans	-149	172.4	173.7	59.9	0	0	0	0	110	F104	C81-F104 WeakPolarHBondContact O-CD1 3.17Å
82	E	92.9	Very high	94.7	Very high	149 Å²	149	62 Å²	62	70%	0.696	30%	0.302	S	S	*	.			trans	-85.6	145.4	174.3	-69.4	-60.5	145.5	0	0	111	V84	E82-V84 PolarHBondContact O-N 3.4Å
83	P	92.5	Very high	94.8	Very high	7 Å²	7	58.9 Å²	58.9	5%	0.045	29%	0.289	C	S	.	.			trans	-63.3	119	175.9	-16.7	28.2	0	0	0	112.1	V88 R89 V92 F104	P83-V88 HydrophobicContact CB-CB 4.39Å; P83-V88 HydrophobicContact CB-CG1 3.96Å; P83-R89 HydrophobicContact CB-CB 3.91Å; P83-R89 HydrophobicContact CB-CG 4.45Å; P83-R89 HydrophobicContact CG-CB 4.32Å; P83-R89 HydrophobicContact CG-CG 4.45Å; P83-R89 PolarHBondContact O-NH1 2.92Å; P83-V92 HydrophobicContact CG-CG2 4.44Å; P83-F104 VanDerWaalsContact CA-CE1 3.47Å; P83-F104 HydrophobicContact CB-CD1 4.2Å; P83-F104 HydrophobicContact CB-CD2 4.21Å; P83-F104 HydrophobicContact CB-CE1 4.13Å; P83-F104 HydrophobicContact CB-CE2 4.14Å; P83-F104 HydrophobicContact CB-CG 4.24Å; P83-F104 HydrophobicContact CB-CZ 4.08Å; P83-F104 HydrophobicContact CG-CB 4.02Å; P83-F104 HydrophobicContact CG-CD1 3.88Å; P83-F104 HydrophobicContact CG-CD2 3.97Å; P83-F104 HydrophobicContact CG-CE1 4.32Å; P83-F104 HydrophobicContact CG-CE2 4.4Å; P83-F104 HydrophobicContact CG-CG 3.68Å
84	V	87.9	Confident	94.9	Very high	90 Å²	90	58.5 Å²	58.5	55%	0.545	29%	0.29	S	S	.	.	S	Bend	trans	-72.3	-36.9	178.8	-179.6	0	0	0	0	111.1	E82 Y114	E82-V84 PolarHBondContact O-N 3.4Å; V84-Y114 VanDerWaalsContact CG2-OH 3.23Å; V84-Y114 WeakPolarHBondContact CG2-OH 3.24Å
85	N	92.5	Very high	95	Very high	30 Å²	30	58.4 Å²	58.4	16%	0.16	29%	0.289	C	S	.	.	S	Bend	trans	-78.2	126.7	177.2	-177.1	-70.4	0	0	0	111.1	F64 A87 V88 R89	F64-N85 HydrophobicContact CZ-CB 3.9Å; N85-A87 PolarHBondContact O-N 3.39Å; N85-A87 VanDerWaalsContact OD1-CB 3.3Å; N85-A87 WeakPolarHBondContact OD1-CB 3.37Å; N85-A87 PolarHBondContact OD1-N 3.28Å; N85-V88 HydrophobicContact CB-CB 4.19Å; N85-V88 HydrophobicContact CB-CG2 4.06Å; N85-V88 PolarHBondContact O-N 3.11Å; N85-V88 PolarHBondContact OD1-N 2.9Å; N85-R89 PolarHBondContact O-N 2.97Å
86	D	93.1	Very high	95.1	Very high	70 Å²	70	54.2 Å²	54.2	37%	0.374	27%	0.274	S	S	.	.	H	α-helix	trans	-62.9	-39	-175.8	-81.3	17.3	0	0	0	113.8	R89 R90	D86-R89 PolarHBondContact O-N 2.76Å; D86-R89 IonicContact OD1-CZ 3.14Å; D86-R89 IonicContact OD1-NH1 2.81Å; D86-R89 PolarHBondContact OD1-NH1 3.49Å; D86-R89 IonicContact OD1-NH2 2.68Å; D86-R89 PolarHBondContact OD1-NH2 3.15Å; D86-R89 IonicContact OD2-NH2 3.31Å; D86-R89 PolarHBondContact OD2-NH2 3.21Å; D86-R90 WeakPolarHBondContact O-CG 3.27Å; D86-R90 PolarHBondContact O-N 3.37Å
87	A	94.9	Very high	95.1	Very high	5 Å²	5	58.5 Å²	58.5	4%	0.041	29%	0.286	C	S	.	.	H	α-helix	trans	-63.7	-45.1	177.3	0	0	0	0	0	110.7	N85 R90 A91 V166 H169	N85-A87 PolarHBondContact O-N 3.39Å; N85-A87 VanDerWaalsContact OD1-CB 3.3Å; N85-A87 WeakPolarHBondContact OD1-CB 3.37Å; N85-A87 PolarHBondContact OD1-N 3.28Å; A87-R90 PolarHBondContact O-N 3.15Å; A87-A91 WeakPolarHBondContact O-CB 3.46Å; A87-A91 PolarHBondContact O-N 2.93Å; A87-V166 HydrophobicContact CB-CG1 4.3Å; A87-H169 HydrophobicContact CB-CB 4.08Å; A87-H169 WeakPolarHBondContact CB-O 3.33Å
88	V	96.4	Very high	95	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-64.5	-44.1	176.8	176.2	0	0	0	0	111	F31 F64 P83 N85 R90 A91 V92 F104 V116 F162	F31-V88 HydrophobicContact CE1-CG2 4.2Å; F31-V88 HydrophobicContact CZ-CG2 4.03Å; F64-V88 HydrophobicContact CD1-CG2 4.37Å; F64-V88 HydrophobicContact CE1-CG1 4.42Å; F64-V88 HydrophobicContact CE1-CG2 3.96Å; F64-V88 HydrophobicContact CE2-CG2 4.26Å; F64-V88 HydrophobicContact CZ-CG2 3.91Å; P83-V88 HydrophobicContact CB-CB 4.39Å; P83-V88 HydrophobicContact CB-CG1 3.96Å; N85-V88 HydrophobicContact CB-CB 4.19Å; N85-V88 HydrophobicContact CB-CG2 4.06Å; N85-V88 PolarHBondContact O-N 3.11Å; N85-V88 PolarHBondContact OD1-N 2.9Å; V88-R90 PolarHBondContact O-N 2.87Å; V88-A91 PolarHBondContact O-N 2.87Å; V88-V92 HydrophobicContact CG1-CG2 4.41Å; V88-V92 WeakPolarHBondContact O-CG2 3.41Å; V88-V92 PolarHBondContact O-N 2.71Å; V88-F104 HydrophobicContact CG1-CD2 4.18Å; V88-F104 HydrophobicContact CG1-CE2 3.87Å; V88-V116 HydrophobicContact CG1-CG2 4.49Å; V88-F162 HydrophobicContact CG1-CE2 4.49Å; V88-F162 HydrophobicContact CG1-CZ 4.09Å
89	R	96.4	Very high	94.6	Very high	80 Å²	80	63.4 Å²	63.4	30%	0.302	32%	0.317	S	S	.	.	H	α-helix	trans	-58	-49.8	177.3	-169.2	169.6	61.6	-113.6	-0.7	111.5	P83 N85 D86 A91 V92 D93	P83-R89 HydrophobicContact CB-CB 3.91Å; P83-R89 HydrophobicContact CB-CG 4.45Å; P83-R89 HydrophobicContact CG-CB 4.32Å; P83-R89 HydrophobicContact CG-CG 4.45Å; P83-R89 PolarHBondContact O-NH1 2.92Å; N85-R89 PolarHBondContact O-N 2.97Å; D86-R89 PolarHBondContact O-N 2.76Å; D86-R89 IonicContact OD1-CZ 3.14Å; D86-R89 IonicContact OD1-NH1 2.81Å; D86-R89 PolarHBondContact OD1-NH1 3.49Å; D86-R89 IonicContact OD1-NH2 2.68Å; D86-R89 PolarHBondContact OD1-NH2 3.15Å; D86-R89 IonicContact OD2-NH2 3.31Å; D86-R89 PolarHBondContact OD2-NH2 3.21Å; R89-A91 VanDerWaalsContact C-N 3.33Å; R89-A91 PolarHBondContact O-N 3.3Å; R89-V92 PolarHBondContact O-N 3.43Å; R89-D93 PolarHBondContact O-N 3.42Å
90	R	95.9	Very high	94.5	Very high	118 Å²	118	58.4 Å²	58.4	45%	0.445	29%	0.294	S	S	.	.	H	α-helix	trans	-62.8	-39.3	178.5	-70.7	-179.9	-171.5	-169	8.2	112.1	D86 A87 V88 D93 A94	D86-R90 WeakPolarHBondContact O-CG 3.27Å; D86-R90 PolarHBondContact O-N 3.37Å; A87-R90 PolarHBondContact O-N 3.15Å; V88-R90 PolarHBondContact O-N 2.87Å; R90-D93 PolarHBondContact O-N 3.4Å; R90-A94 VanDerWaalsContact O-CB 3.22Å; R90-A94 WeakPolarHBondContact O-CB 3.31Å; R90-A94 PolarHBondContact O-N 2.88Å
91	A	96.9	Very high	94.5	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-63.4	-45.9	176.6	0	0	0	0	0	112.4	A87 V88 R89 A94 M95 F162 E165 V166	A87-A91 WeakPolarHBondContact O-CB 3.46Å; A87-A91 PolarHBondContact O-N 2.93Å; V88-A91 PolarHBondContact O-N 2.87Å; R89-A91 VanDerWaalsContact C-N 3.33Å; R89-A91 PolarHBondContact O-N 3.3Å; A91-A94 PolarHBondContact O-N 3.21Å; A91-M95 WeakPolarHBondContact O-CG 3.27Å; A91-M95 PolarHBondContact O-N 3.12Å; A91-F162 HydrophobicContact CB-CD2 3.86Å; A91-F162 HydrophobicContact CB-CE2 3.65Å; A91-F162 HydrophobicContact CB-CZ 4.45Å; A91-E165 HydrophobicContact CB-CB 3.6Å; A91-V166 HydrophobicContact CB-CG2 3.66Å
92	V	96.8	Very high	94.6	Very high	10 Å²	10	52.7 Å²	52.7	6%	0.061	26%	0.263	C	S	.	.	H	α-helix	trans	-59.7	-48.5	175	171.2	0	0	0	0	110.6	P83 V88 R89 A94 M95 N96 V102 F162	P83-V92 HydrophobicContact CG-CG2 4.44Å; V88-V92 HydrophobicContact CG1-CG2 4.41Å; V88-V92 WeakPolarHBondContact O-CG2 3.41Å; V88-V92 PolarHBondContact O-N 2.71Å; R89-V92 PolarHBondContact O-N 3.43Å; V92-A94 PolarHBondContact O-N 3.04Å; V92-M95 PolarHBondContact O-N 2.73Å; V92-N96 WeakPolarHBondContact O-CB 3.18Å; V92-N96 PolarHBondContact O-N 3.44Å; V92-N96 PolarHBondContact O-ND2 3.37Å; V92-V102 HydrophobicContact CG1-CB 4.29Å; V92-V102 HydrophobicContact CG1-CG1 4.39Å; V92-V102 HydrophobicContact CG2-CG1 4.03Å; V92-F162 HydrophobicContact CG2-CE2 4.11Å
93	D	96.3	Very high	94.8	Very high	70 Å²	70	47.3 Å²	47.3	37%	0.374	24%	0.238	S	C	.	.	H	α-helix	trans	-61.7	-43.1	178.8	-74.2	-18.4	0	0	0	112.4	R89 R90 N96 K97	R89-D93 PolarHBondContact O-N 3.42Å; R90-D93 PolarHBondContact O-N 3.4Å; D93-N96 PolarHBondContact O-N 2.86Å; D93-K97 WeakPolarHBondContact O-CB 3.4Å; D93-K97 WeakPolarHBondContact O-CD 3.35Å; D93-K97 WeakPolarHBondContact O-CG 3.34Å; D93-K97 PolarHBondContact O-N 3.15Å
94	A	96.4	Very high	95.1	Very high	17 Å²	17	47.7 Å²	47.7	14%	0.14	24%	0.239	C	C	.	.	H	α-helix	trans	-62.9	-46.6	179.3	0	0	0	0	0	111	R90 A91 V92 K97 H98 E165	R90-A94 VanDerWaalsContact O-CB 3.22Å; R90-A94 WeakPolarHBondContact O-CB 3.31Å; R90-A94 PolarHBondContact O-N 2.88Å; A91-A94 PolarHBondContact O-N 3.21Å; V92-A94 PolarHBondContact O-N 3.04Å; A94-K97 PolarHBondContact O-N 3.4Å; A94-H98 PolarHBondContact O-N 3.17Å; A94-H98 PolarHBondContact O-ND1 3.39Å; A94-E165 HydrophobicContact CB-CG 4.4Å
95	M	96.3	Very high	95.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-65.4	-43.4	178.1	-70.9	-174.9	74.5	0	0	112.2	A91 V92 K97 H98 G99 C100 V102 F118 L158 W161 F162	A91-M95 WeakPolarHBondContact O-CG 3.27Å; A91-M95 PolarHBondContact O-N 3.12Å; V92-M95 PolarHBondContact O-N 2.73Å; M95-K97 VanDerWaalsContact C-N 3.32Å; M95-K97 PolarHBondContact O-N 3.37Å; M95-H98 CarbonylContact O-C 3.55Å; M95-H98 PolarHBondContact O-N 2.63Å; M95-H98 VanDerWaalsContact O-N 3.09Å; M95-G99 PolarHBondContact O-N 3.23Å; M95-C100 HydrophobicContact CB-CB 4.21Å; M95-C100 HydrophobicContact CE-CB 4.44Å; M95-C100 WeakPolarHBondContact O-CB 3.44Å; M95-C100 PolarHBondContact O-N 2.88Å; M95-C100 VanDerWaalsContact O-N 3.13Å; M95-V102 HydrophobicContact CB-CG2 3.8Å; M95-V102 HydrophobicContact CE-CG2 4.12Å; M95-V102 HydrophobicContact SD-CG2 4.1Å; M95-F118 HydrophobicContact CE-CE1 4.16Å; M95-F118 HydrophobicContact SD-CE1 4.27Å; M95-L158 HydrophobicContact CE-CB 4.24Å; M95-L158 HydrophobicContact CE-CD2 3.75Å; M95-W161 HydrophobicContact CE-CB 4.35Å; M95-W161 HydrophobicContact CE-CD2 4.33Å; M95-W161 HydrophobicContact CE-CE3 4.37Å; M95-W161 HydrophobicContact CE-CG 4.35Å; M95-W161 HydrophobicContact CG-CD2 4.47Å; M95-F162 HydrophobicContact CE-CB 4.36Å; M95-F162 VanDerWaalsContact SD-CA 3.54Å; M95-F162 HydrophobicContact SD-CB 3.52Å; M95-F162 VanDerWaalsContact SD-CB 3.52Å; M95-F162 HydrophobicContact SD-CD2 3.86Å; M95-F162 HydrophobicContact SD-CG 4.19Å
96	N	95.6	Very high	95.8	Very high	66 Å²	66	45.4 Å²	45.4	35%	0.353	22%	0.218	S	C	.	.	H	α-helix	trans	-62.4	-39	177.3	-75.9	-25.2	0	0	0	111.9	V92 D93 H98 G99 C100 Q101 V102	V92-N96 WeakPolarHBondContact O-CB 3.18Å; V92-N96 PolarHBondContact O-N 3.44Å; V92-N96 PolarHBondContact O-ND2 3.37Å; D93-N96 PolarHBondContact O-N 2.86Å; N96-H98 PolarHBondContact O-N 2.97Å; N96-G99 PolarHBondContact O-N 2.91Å; N96-C100 WeakPolarHBondContact CA-O 3.32Å; N96-C100 PolarHBondContact OD1-O 3.03Å; N96-Q101 WeakPolarHBondContact OD1-CA 3.15Å; N96-V102 PolarHBondContact ND2-O 2.71Å; N96-V102 PolarHBondContact OD1-N 3Å
97	K	95.5	Very high	96	Very high	168 Å²	168	42.1 Å²	42.1	73%	0.73	20%	0.2	S	C	*	.	H	α-helix	trans	-63.1	-27.9	174.1	-75.5	168.2	-172.7	168.7	0	113.5	D93 A94 M95 G99	D93-K97 WeakPolarHBondContact O-CB 3.4Å; D93-K97 WeakPolarHBondContact O-CD 3.35Å; D93-K97 WeakPolarHBondContact O-CG 3.34Å; D93-K97 PolarHBondContact O-N 3.15Å; A94-K97 PolarHBondContact O-N 3.4Å; M95-K97 VanDerWaalsContact C-N 3.32Å; M95-K97 PolarHBondContact O-N 3.37Å; K97-G99 VanDerWaalsContact C-N 3.34Å
98	H	93.2	Very high	96.1	Very high	123 Å²	123	46.7 Å²	46.7	57%	0.569	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.8	21.6	179.7	-68.4	84.8	0	0	0	113.3	A94 M95 N96 W161	A94-H98 PolarHBondContact O-N 3.17Å; A94-H98 PolarHBondContact O-ND1 3.39Å; M95-H98 CarbonylContact O-C 3.55Å; M95-H98 PolarHBondContact O-N 2.63Å; M95-H98 VanDerWaalsContact O-N 3.09Å; N96-H98 PolarHBondContact O-N 2.97Å; H98-W161 HydrophobicContact CB-CH2 3.63Å; H98-W161 HydrophobicContact CB-CZ2 3.72Å
99	G	90.3	Very high	96	Very high	31 Å²	31	48 Å²	48	32%	0.32	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	77	26.3	172.5	0	0	0	0	0	114.3	M95 N96 K97 F122 W125	M95-G99 PolarHBondContact O-N 3.23Å; N96-G99 PolarHBondContact O-N 2.91Å; K97-G99 VanDerWaalsContact C-N 3.34Å; G99-F122 VanDerWaalsContact O-CE1 3.3Å; G99-F122 WeakPolarHBondContact O-CE1 3.4Å; G99-W125 PolarHBondContact O-NE1 3.41Å
100	C	94.8	Very high	95.8	Very high	6 Å²	6	48.8 Å²	48.8	4%	0.041	24%	0.237	C	C	.	.			trans	-96.9	167.7	160.5	-59.2	0	0	0	0	109.9	M95 N96 V102 L158 W161	M95-C100 HydrophobicContact CB-CB 4.21Å; M95-C100 HydrophobicContact CE-CB 4.44Å; M95-C100 WeakPolarHBondContact O-CB 3.44Å; M95-C100 PolarHBondContact O-N 2.88Å; M95-C100 VanDerWaalsContact O-N 3.13Å; N96-C100 WeakPolarHBondContact CA-O 3.32Å; N96-C100 PolarHBondContact OD1-O 3.03Å; C100-V102 HydrophobicContact CB-CG2 4.41Å; C100-L158 HydrophobicContact CB-CD2 4.32Å; C100-W161 WeakPolarHBondContact SG-CZ3 3.01Å
101	Q	95.8	Very high	95.6	Very high	59 Å²	59	44.8 Å²	44.8	28%	0.276	23%	0.233	S	C	.	.			trans	-126.9	108	172	178.1	173.6	-16	0	0	108.9	N96 H103 D119 F122	N96-Q101 WeakPolarHBondContact OD1-CA 3.15Å; Q101-H103 WeakPolarHBondContact CG-NE2 3.31Å; Q101-H103 PolarHBondContact NE2-CE1 2.88Å; Q101-H103 VanDerWaalsContact NE2-CE1 3.32Å; Q101-H103 PolarHBondContact NE2-NE2 3.12Å; Q101-D119 HydrophobicContact CB-CB 3.97Å; Q101-D119 HydrophobicContact CG-CB 4.13Å; Q101-D119 PolarHBondContact O-N 2.68Å; Q101-F122 HydrophobicContact CB-CB 4.09Å; Q101-F122 HydrophobicContact CB-CD1 3.84Å; Q101-F122 HydrophobicContact CB-CD2 4.48Å; Q101-F122 HydrophobicContact CB-CE1 4.41Å; Q101-F122 HydrophobicContact CB-CG 3.87Å
102	V	97.2	Very high	95.5	Very high	8 Å²	8	46.6 Å²	46.6	5%	0.048	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	125.8	-176.8	-171.6	0	0	0	0	108.9	V92 M95 N96 C100 V116 F118	V92-V102 HydrophobicContact CG1-CB 4.29Å; V92-V102 HydrophobicContact CG1-CG1 4.39Å; V92-V102 HydrophobicContact CG2-CG1 4.03Å; M95-V102 HydrophobicContact CB-CG2 3.8Å; M95-V102 HydrophobicContact CE-CG2 4.12Å; M95-V102 HydrophobicContact SD-CG2 4.1Å; N96-V102 PolarHBondContact ND2-O 2.71Å; N96-V102 PolarHBondContact OD1-N 3Å; C100-V102 HydrophobicContact CB-CG2 4.41Å; V102-V116 HydrophobicContact CG1-CG1 3.57Å; V102-F118 HydrophobicContact CB-CD1 4.32Å; V102-F118 HydrophobicContact CB-CE1 4.47Å; V102-F118 HydrophobicContact CG1-CD1 3.82Å; V102-F118 HydrophobicContact CG1-CE1 3.69Å; V102-F118 HydrophobicContact CG2-CD1 3.85Å; V102-F118 HydrophobicContact CG2-CE1 4.01Å
103	H	97.2	Very high	95.5	Very high	36 Å²	36	46.3 Å²	46.3	17%	0.167	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	141.4	179.1	-63.5	-80.2	0	0	0	110.7	Y69 M74 Q101 V116 L117	Y69-H103 HydrophobicContact CD2-CB 4.27Å; Y69-H103 AromaticContact CD2-CD2 3.28Å; Y69-H103 WeakPolarHBondContact CD2-CD2 3.29Å; Y69-H103 AromaticContact CD2-CG 3.83Å; Y69-H103 AromaticContact CD2-NE2 3.86Å; Y69-H103 AromaticContact CE2-CD2 3.52Å; Y69-H103 AromaticContact CE2-CG 3.92Å; Y69-H103 AromaticContact CE2-NE2 3.66Å; Y69-H103 AromaticContact CG-CD2 3.69Å; Y69-H103 AromaticContact CZ-NE2 3.84Å; M74-H103 HydrophobicContact CE-CB 4.3Å; Q101-H103 WeakPolarHBondContact CG-NE2 3.31Å; Q101-H103 PolarHBondContact NE2-CE1 2.88Å; Q101-H103 VanDerWaalsContact NE2-CE1 3.32Å; Q101-H103 PolarHBondContact NE2-NE2 3.12Å; H103-V116 WeakPolarHBondContact O-CA 3.29Å; H103-L117 HydrophobicContact CB-CB 4.32Å; H103-L117 PolarHBondContact N-O 3.01Å; H103-L117 PolarHBondContact O-N 3.15Å
104	F	98.1	Very high	95.6	Very high	14 Å²	14	43.6 Å²	43.6	6%	0.061	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	147.2	176.8	-171.4	-93.3	0	0	0	110.7	F64 C81 P83 V88 Y114 V115 V116	F64-F104 HydrophobicContact CD1-CE2 4.08Å; F64-F104 HydrophobicContact CE1-CE2 4.08Å; F64-F104 HydrophobicContact CE1-CZ 4.19Å; C81-F104 WeakPolarHBondContact O-CD1 3.17Å; P83-F104 VanDerWaalsContact CA-CE1 3.47Å; P83-F104 HydrophobicContact CB-CD1 4.2Å; P83-F104 HydrophobicContact CB-CD2 4.21Å; P83-F104 HydrophobicContact CB-CE1 4.13Å; P83-F104 HydrophobicContact CB-CE2 4.14Å; P83-F104 HydrophobicContact CB-CG 4.24Å; P83-F104 HydrophobicContact CB-CZ 4.08Å; P83-F104 HydrophobicContact CG-CB 4.02Å; P83-F104 HydrophobicContact CG-CD1 3.88Å; P83-F104 HydrophobicContact CG-CD2 3.97Å; P83-F104 HydrophobicContact CG-CE1 4.32Å; P83-F104 HydrophobicContact CG-CE2 4.4Å; P83-F104 HydrophobicContact CG-CG 3.68Å; V88-F104 HydrophobicContact CG1-CD2 4.18Å; V88-F104 HydrophobicContact CG1-CE2 3.87Å; F104-Y114 AromaticContact CE1-CD1 3.47Å; F104-Y114 HydrophobicContact CE1-CD1 3.47Å; F104-Y114 VanDerWaalsContact CE1-CD1 3.47Å; F104-Y114 AromaticContact CE1-CE1 3.78Å; F104-Y114 HydrophobicContact CE1-CE1 3.78Å; F104-Y114 HydrophobicContact CE1-CG 4.35Å; F104-Y114 HydrophobicContact CE2-CD1 4.3Å; F104-Y114 HydrophobicContact CE2-CG 4.45Å; F104-Y114 AromaticContact CZ-CD1 3.23Å; F104-Y114 HydrophobicContact CZ-CD1 3.23Å; F104-Y114 AromaticContact CZ-CE1 3.83Å; F104-Y114 HydrophobicContact CZ-CE1 3.83Å; F104-Y114 AromaticContact CZ-CG 3.67Å; F104-Y114 HydrophobicContact CZ-CG 3.67Å; F104-V115 WeakPolarHBondContact CA-O 3.48Å; F104-V116 HydrophobicContact CD2-CG2 4.01Å; F104-V116 HydrophobicContact CE2-CG2 4.25Å
105	G	97.4	Very high	95.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.8	-169.4	177.1	0	0	0	0	0	113.3	E79 Y114 V115	E79-G105 CarbonylContact O-C 3.56Å; E79-G105 WeakPolarHBondContact O-CA 3.43Å; G105-Y114 CarbonylContact O-C 3.38Å; G105-Y114 WeakPolarHBondContact O-CA 3.31Å; G105-V115 PolarHBondContact N-O 3.37Å; G105-V115 VanDerWaalsContact N-O 3.13Å; G105-V115 WeakPolarHBondContact O-CG2 3.45Å; G105-V115 PolarHBondContact O-N 3.17Å
106	R	97.6	Very high	95.8	Very high	73 Å²	73	42.8 Å²	42.8	28%	0.275	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	131.5	170.8	-72.2	-174.8	168	-141.3	-2.1	110.1	D61 V78 E79 L108 P113 Y114	D61-R106 IonicContact OD1-NH2 2.64Å; V78-R106 WeakPolarHBondContact CA-O 3.5Å; E79-R106 PolarHBondContact N-O 3.47Å; E79-R106 PolarHBondContact O-N 3.2Å; R106-L108 PolarHBondContact O-N 3.17Å; R106-P113 WeakPolarHBondContact CA-O 3.42Å; R106-Y114 HydrophobicContact CG-CD1 3.78Å; R106-Y114 HydrophobicContact CG-CE1 3.87Å; R106-Y114 VanDerWaalsContact NE-CE1 3.35Å; R106-Y114 VanDerWaalsContact NH2-CZ 3.3Å; R106-Y114 PolarHBondContact NH2-OH 3.06Å
107	W	97.9	Very high	95.9	Very high	1 Å²	1	39.7 Å²	39.7	0%	0.004	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	125.5	174.5	-165.8	3.2	0	0	0	109.5	T38 Y45 I48 Q49 L65 I109 P113 V115	T38-W107 HydrophobicContact CG2-CD2 4.05Å; T38-W107 HydrophobicContact CG2-CG 4.06Å; Y45-W107 HydrophobicContact CD2-CH2 4.21Å; Y45-W107 HydrophobicContact CD2-CZ2 4.09Å; Y45-W107 AromaticContact CE2-CH2 3.99Å; Y45-W107 HydrophobicContact CE2-CH2 3.99Å; Y45-W107 AromaticContact CE2-CZ2 3.42Å; Y45-W107 HydrophobicContact CE2-CZ2 3.42Å; Y45-W107 VanDerWaalsContact CE2-CZ2 3.42Å; Y45-W107 AromaticContact CZ-CZ2 3.67Å; I48-W107 HydrophobicContact CG2-CZ3 3.9Å; Q49-W107 HydrophobicContact CB-CH2 3.99Å; Q49-W107 HydrophobicContact CB-CZ2 4.37Å; L65-W107 HydrophobicContact CD1-CE3 3.75Å; L65-W107 HydrophobicContact CD1-CZ3 4.02Å; W107-I109 HydrophobicContact CB-CG1 4.14Å; W107-I109 HydrophobicContact CD2-CD1 3.58Å; W107-I109 HydrophobicContact CD2-CG1 3.93Å; W107-I109 HydrophobicContact CD2-CG2 4.14Å; W107-I109 HydrophobicContact CE3-CD1 3.46Å; W107-I109 VanDerWaalsContact CE3-CD1 3.46Å; W107-I109 HydrophobicContact CE3-CG1 4.26Å; W107-I109 HydrophobicContact CG-CD1 4.08Å; W107-I109 HydrophobicContact CG-CG1 3.89Å; W107-I109 HydrophobicContact CG-CG2 4.13Å; W107-I109 HydrophobicContact CH2-CD1 4.24Å; W107-I109 HydrophobicContact CZ2-CD1 4.34Å; W107-I109 HydrophobicContact CZ2-CG2 4.29Å; W107-I109 HydrophobicContact CZ3-CD1 3.83Å; W107-I109 PolarHBondContact O-N 3.21Å; W107-P113 HydrophobicContact CB-CG 4.2Å; W107-P113 PolarHBondContact N-O 2.76Å; W107-V115 HydrophobicContact CB-CG1 3.85Å
108	L	96.9	Very high	96.1	Very high	101 Å²	101	31.8 Å²	31.8	53%	0.529	17%	0.171	S	C	.	.	S	Bend	trans	-74.8	63.3	-178.9	-64.9	175	0	0	0	112.1	Q77 E79 R106	Q77-L108 VanDerWaalsContact O-CB 3.31Å; Q77-L108 WeakPolarHBondContact O-CB 3.48Å; Q77-L108 WeakPolarHBondContact O-CG 3.45Å; Q77-L108 PolarHBondContact O-N 2.91Å; E79-L108 HydrophobicContact CB-CD2 3.97Å; E79-L108 HydrophobicContact CB-CG 4.43Å; R106-L108 PolarHBondContact O-N 3.17Å
109	I	94.6	Very high	96.3	Very high	28 Å²	28	27.4 Å²	27.4	14%	0.144	15%	0.151	C	C	.	.	S	Bend	trans	-134	171.6	177	60.7	166	0	0	0	110	Q49 A52 W107 G111 S112 P113	Q49-I109 HydrophobicContact CB-CD1 4.37Å; Q49-I109 HydrophobicContact CG-CB 4.31Å; Q49-I109 HydrophobicContact CG-CD1 4.03Å; Q49-I109 HydrophobicContact CG-CG2 4Å; A52-I109 HydrophobicContact CB-CD1 3.66Å; W107-I109 HydrophobicContact CB-CG1 4.14Å; W107-I109 HydrophobicContact CD2-CD1 3.58Å; W107-I109 HydrophobicContact CD2-CG1 3.93Å; W107-I109 HydrophobicContact CD2-CG2 4.14Å; W107-I109 HydrophobicContact CE3-CD1 3.46Å; W107-I109 VanDerWaalsContact CE3-CD1 3.46Å; W107-I109 HydrophobicContact CE3-CG1 4.26Å; W107-I109 HydrophobicContact CG-CD1 4.08Å; W107-I109 HydrophobicContact CG-CG1 3.89Å; W107-I109 HydrophobicContact CG-CG2 4.13Å; W107-I109 HydrophobicContact CH2-CD1 4.24Å; W107-I109 HydrophobicContact CZ2-CD1 4.34Å; W107-I109 HydrophobicContact CZ2-CG2 4.29Å; W107-I109 HydrophobicContact CZ3-CD1 3.83Å; W107-I109 PolarHBondContact O-N 3.21Å; I109-G111 PolarHBondContact O-N 2.86Å; I109-S112 PolarHBondContact O-N 3.24Å; I109-P113 HydrophobicContact CD1-CG 4.21Å; I109-P113 HydrophobicContact CG1-CG 4.35Å
110	E	90.4	Very high	96.5	Very high	96 Å²	96	26.8 Å²	26.8	45%	0.449	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	130.1	173.3	-69.8	-175.7	-178.1	0	0	111	K53	K53-E110 HydrophobicContact CB-CB 4.19Å; K53-E110 HydrophobicContact CD-CB 4.26Å
111	G	91.6	Very high	96.5	Very high	34 Å²	34	29 Å²	29	35%	0.351	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.8	-20.8	-173.7	0	0	0	0	0	114.6	I109	I109-G111 PolarHBondContact O-N 2.86Å
112	S	95.8	Very high	96.4	Very high	37 Å²	37	31.1 Å²	31.1	26%	0.259	17%	0.173	S	C	.	.			trans	45.6	51.2	178.4	-163.1	0	0	0	0	114.3	I109	I109-S112 PolarHBondContact O-N 3.24Å
113	P	97	Very high	96.2	Very high	5 Å²	5	30.8 Å²	30.8	3%	0.032	17%	0.171	C	C	.	.			trans	-68.9	151.8	-175.6	32.8	-38.3	0	0	0	111.6	A52 Y63 L65 R106 W107 I109	A52-P113 HydrophobicContact CB-CG 4.03Å; Y63-P113 HydrophobicContact CD1-CB 3.87Å; Y63-P113 HydrophobicContact CE1-CB 3.64Å; L65-P113 HydrophobicContact CD1-CB 4Å; L65-P113 HydrophobicContact CD1-CG 3.67Å; R106-P113 WeakPolarHBondContact CA-O 3.42Å; W107-P113 HydrophobicContact CB-CG 4.2Å; W107-P113 PolarHBondContact N-O 2.76Å; I109-P113 HydrophobicContact CD1-CG 4.21Å; I109-P113 HydrophobicContact CG1-CG 4.35Å
114	Y	98.3	Very high	95.9	Very high	13 Å²	13	31.2 Å²	31.2	5%	0.051	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	142.6	171.8	-70.4	-64.9	0	0	0	111.3	D61 F64 L65 V84 F104 G105 R106	D61-Y114 HydrophobicContact CB-CE2 4.07Å; F64-Y114 HydrophobicContact CD1-CD2 4.4Å; F64-Y114 HydrophobicContact CD1-CG 4.25Å; F64-Y114 AromaticContact CE1-CD2 3.97Å; F64-Y114 HydrophobicContact CE1-CD2 3.97Å; F64-Y114 HydrophobicContact CE1-CG 4.1Å; L65-Y114 PolarHBondContact N-O 3.29Å; V84-Y114 VanDerWaalsContact CG2-OH 3.23Å; V84-Y114 WeakPolarHBondContact CG2-OH 3.24Å; F104-Y114 AromaticContact CE1-CD1 3.47Å; F104-Y114 HydrophobicContact CE1-CD1 3.47Å; F104-Y114 VanDerWaalsContact CE1-CD1 3.47Å; F104-Y114 AromaticContact CE1-CE1 3.78Å; F104-Y114 HydrophobicContact CE1-CE1 3.78Å; F104-Y114 HydrophobicContact CE1-CG 4.35Å; F104-Y114 HydrophobicContact CE2-CD1 4.3Å; F104-Y114 HydrophobicContact CE2-CG 4.45Å; F104-Y114 AromaticContact CZ-CD1 3.23Å; F104-Y114 HydrophobicContact CZ-CD1 3.23Å; F104-Y114 AromaticContact CZ-CE1 3.83Å; F104-Y114 HydrophobicContact CZ-CE1 3.83Å; F104-Y114 AromaticContact CZ-CG 3.67Å; F104-Y114 HydrophobicContact CZ-CG 3.67Å; G105-Y114 CarbonylContact O-C 3.38Å; G105-Y114 WeakPolarHBondContact O-CA 3.31Å; R106-Y114 HydrophobicContact CG-CD1 3.78Å; R106-Y114 HydrophobicContact CG-CE1 3.87Å; R106-Y114 VanDerWaalsContact NE-CE1 3.35Å; R106-Y114 VanDerWaalsContact NH2-CZ 3.3Å; R106-Y114 PolarHBondContact NH2-OH 3.06Å
115	V	98.4	Very high	95.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	138.4	175.5	-71.4	0	0	0	0	111.3	V37 T38 L65 V78 F104 G105 W107 L117	V37-V115 HydrophobicContact CG1-CG1 4.01Å; T38-V115 HydrophobicContact CG2-CG1 4.16Å; L65-V115 HydrophobicContact CB-CG1 3.92Å; L65-V115 CarbonylContact O-C 3.6Å; L65-V115 VanDerWaalsContact O-CA 3.27Å; L65-V115 WeakPolarHBondContact O-CA 3.46Å; V78-V115 HydrophobicContact CG1-CG2 3.74Å; V78-V115 HydrophobicContact CG2-CG2 4.3Å; F104-V115 WeakPolarHBondContact CA-O 3.48Å; G105-V115 PolarHBondContact N-O 3.37Å; G105-V115 VanDerWaalsContact N-O 3.13Å; G105-V115 WeakPolarHBondContact O-CG2 3.45Å; G105-V115 PolarHBondContact O-N 3.17Å; W107-V115 HydrophobicContact CB-CG1 3.85Å; V115-L117 HydrophobicContact CB-CD2 4.33Å; V115-L117 HydrophobicContact CB-CG 4.36Å; V115-L117 HydrophobicContact CG2-CG 4.44Å
116	V	98.5	Very high	95.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	116.2	168.6	-174.1	0	0	0	0	107.4	L65 I66 G67 V88 V102 H103 F104 F118 F162	L65-V116 PolarHBondContact O-N 2.94Å; I66-V116 WeakPolarHBondContact CA-O 3.44Å; I66-V116 HydrophobicContact CG1-CB 4.34Å; G67-V116 PolarHBondContact N-O 2.92Å; V88-V116 HydrophobicContact CG1-CG2 4.49Å; V102-V116 HydrophobicContact CG1-CG1 3.57Å; H103-V116 WeakPolarHBondContact O-CA 3.29Å; F104-V116 HydrophobicContact CD2-CG2 4.01Å; F104-V116 HydrophobicContact CE2-CG2 4.25Å; V116-F118 HydrophobicContact CG1-CE1 3.82Å; V116-F118 HydrophobicContact CG1-CZ 4.04Å; V116-F162 HydrophobicContact CG1-CD2 4.38Å; V116-F162 HydrophobicContact CG1-CE1 4.49Å; V116-F162 HydrophobicContact CG1-CE2 4.04Å; V116-F162 HydrophobicContact CG1-CZ 4.1Å; V116-F162 HydrophobicContact CG2-CE1 4.35Å; V116-F162 HydrophobicContact CG2-CZ 3.92Å
117	L	98.5	Very high	95.4	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	125.7	-173.9	-57.7	-179.4	0	0	0	111.6	V37 T38 G67 Y69 M74 V78 H103 V115	V37-L117 HydrophobicContact CG1-CD2 4.18Å; T38-L117 HydrophobicContact CG2-CD1 4.29Å; T38-L117 HydrophobicContact CG2-CD2 4.24Å; G67-L117 VanDerWaalsContact O-CA 3.28Å; G67-L117 WeakPolarHBondContact O-CA 3.04Å; Y69-L117 HydrophobicContact CD2-CB 4.47Å; M74-L117 HydrophobicContact SD-CD1 3.73Å; V78-L117 HydrophobicContact CG2-CD1 4.2Å; H103-L117 HydrophobicContact CB-CB 4.32Å; H103-L117 PolarHBondContact N-O 3.01Å; H103-L117 PolarHBondContact O-N 3.15Å; V115-L117 HydrophobicContact CB-CD2 4.33Å; V115-L117 HydrophobicContact CB-CG 4.36Å; V115-L117 HydrophobicContact CG2-CG 4.44Å
118	F	98.4	Very high	95.3	Very high	1 Å²	1	42.6 Å²	42.6	0%	0.004	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	124.9	-177.2	-60.9	-47.4	0	0	0	112.4	I66 G67 Y69 M95 V102 V116 I120 F155 L158 F162	I66-F118 HydrophobicContact CG2-CD2 3.98Å; I66-F118 HydrophobicContact CG2-CE2 3.33Å; I66-F118 HydrophobicContact CG2-CZ 4.02Å; G67-F118 PolarHBondContact O-N 2.98Å; Y69-F118 WeakPolarHBondContact CB-O 3.46Å; Y69-F118 PolarHBondContact N-O 3.22Å; M95-F118 HydrophobicContact CE-CE1 4.16Å; M95-F118 HydrophobicContact SD-CE1 4.27Å; V102-F118 HydrophobicContact CB-CD1 4.32Å; V102-F118 HydrophobicContact CB-CE1 4.47Å; V102-F118 HydrophobicContact CG1-CD1 3.82Å; V102-F118 HydrophobicContact CG1-CE1 3.69Å; V102-F118 HydrophobicContact CG2-CD1 3.85Å; V102-F118 HydrophobicContact CG2-CE1 4.01Å; V116-F118 HydrophobicContact CG1-CE1 3.82Å; V116-F118 HydrophobicContact CG1-CZ 4.04Å; F118-I120 PolarHBondContact O-N 2.87Å; F118-I120 VanDerWaalsContact O-N 3.08Å; F118-F155 AromaticContact CD2-CD2 3.98Å; F118-F155 HydrophobicContact CD2-CD2 3.98Å; F118-F155 AromaticContact CD2-CE2 3.86Å; F118-F155 HydrophobicContact CD2-CE2 3.86Å; F118-F155 HydrophobicContact CE2-CE2 4.5Å; F118-L158 HydrophobicContact CB-CB 4.4Å; F118-L158 HydrophobicContact CB-CD1 3.87Å; F118-L158 HydrophobicContact CD1-CB 4.39Å; F118-L158 HydrophobicContact CD2-CB 3.96Å; F118-L158 HydrophobicContact CE2-CB 4.34Å; F118-L158 HydrophobicContact CG-CB 4Å; F118-L158 HydrophobicContact CG-CD1 4.34Å; F118-F162 HydrophobicContact CE1-CB 4.05Å; F118-F162 HydrophobicContact CE1-CD2 4.33Å; F118-F162 HydrophobicContact CE1-CG 4.21Å; F118-F162 HydrophobicContact CZ-CB 3.52Å; F118-F162 HydrophobicContact CZ-CD1 4.2Å; F118-F162 HydrophobicContact CZ-CD2 4.31Å; F118-F162 AromaticContact CZ-CG 3.75Å; F118-F162 HydrophobicContact CZ-CG 3.75Å
119	D	97.2	Very high	95.3	Very high	31 Å²	31	45.3 Å²	45.3	17%	0.166	24%	0.239	C	C	.	.			trans	-77.3	93.5	168.8	-167.2	-29.8	0	0	0	110.3	Y69 Q101 G121 F122 S123	Y69-D119 HydrophobicContact CD1-CB 4.09Å; Y69-D119 HydrophobicContact CG-CB 4.49Å; Q101-D119 HydrophobicContact CB-CB 3.97Å; Q101-D119 HydrophobicContact CG-CB 4.13Å; Q101-D119 PolarHBondContact O-N 2.68Å; D119-G121 PolarHBondContact O-N 3.11Å; D119-G121 WeakPolarHBondContact OD1-CA 3.38Å; D119-G121 PolarHBondContact OD1-N 3.29Å; D119-F122 HydrophobicContact CB-CB 3.96Å; D119-F122 PolarHBondContact O-N 3.09Å; D119-F122 PolarHBondContact OD1-N 3.44Å; D119-S123 PolarHBondContact O-N 3.15Å
120	I	95.4	Very high	95.4	Very high	18 Å²	18	44.3 Å²	44.3	9%	0.092	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-28.6	179.1	64.7	179.6	0	0	0	112.5	W35 F118 S123 A124 D151 I154 F155 L158	W35-I120 HydrophobicContact CH2-CD1 3.52Å; W35-I120 HydrophobicContact CZ2-CD1 4.45Å; W35-I120 HydrophobicContact CZ3-CD1 4.22Å; F118-I120 PolarHBondContact O-N 2.87Å; F118-I120 VanDerWaalsContact O-N 3.08Å; I120-S123 PolarHBondContact O-N 3.23Å; I120-A124 PolarHBondContact O-N 2.86Å; I120-D151 HydrophobicContact CD1-CB 4.08Å; I120-I154 HydrophobicContact CB-CB 4.44Å; I120-I154 HydrophobicContact CB-CG2 3.77Å; I120-I154 HydrophobicContact CG2-CG2 4.07Å; I120-F155 HydrophobicContact CG2-CB 4.05Å; I120-L158 HydrophobicContact CG2-CD1 4.5Å
121	G	93.8	Very high	95.7	Very high	53 Å²	53	41.6 Å²	41.6	55%	0.546	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-42.7	179.8	0	0	0	0	0	110.7	D119 S123 A124	D119-G121 PolarHBondContact O-N 3.11Å; D119-G121 WeakPolarHBondContact OD1-CA 3.38Å; D119-G121 PolarHBondContact OD1-N 3.29Å; G121-S123 VanDerWaalsContact C-N 3.27Å; G121-S123 PolarHBondContact O-N 2.87Å; G121-A124 WeakPolarHBondContact O-CB 3.49Å; G121-A124 PolarHBondContact O-N 2.9Å
122	F	93.6	Very high	96	Very high	104 Å²	104	41.4 Å²	41.4	46%	0.456	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-34.7	176.4	-164.6	-91.9	0	0	0	112.5	G99 Q101 D119 W125	G99-F122 VanDerWaalsContact O-CE1 3.3Å; G99-F122 WeakPolarHBondContact O-CE1 3.4Å; Q101-F122 HydrophobicContact CB-CB 4.09Å; Q101-F122 HydrophobicContact CB-CD1 3.84Å; Q101-F122 HydrophobicContact CB-CD2 4.48Å; Q101-F122 HydrophobicContact CB-CE1 4.41Å; Q101-F122 HydrophobicContact CB-CG 3.87Å; D119-F122 HydrophobicContact CB-CB 3.96Å; D119-F122 PolarHBondContact O-N 3.09Å; D119-F122 PolarHBondContact OD1-N 3.44Å; F122-W125 VanDerWaalsContact O-CD1 3.23Å
123	S	93.4	Very high	96	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.007	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	5.7	-178.2	-65.4	0	0	0	0	115	D119 I120 G121 W125 N126 W130	D119-S123 PolarHBondContact O-N 3.15Å; I120-S123 PolarHBondContact O-N 3.23Å; G121-S123 VanDerWaalsContact C-N 3.27Å; G121-S123 PolarHBondContact O-N 2.87Å; S123-W125 PolarHBondContact O-N 2.93Å; S123-W125 VanDerWaalsContact O-N 3.12Å; S123-N126 PolarHBondContact O-N 3.35Å; S123-W130 WeakPolarHBondContact O-CZ3 3.46Å
124	A	92.2	Very high	96	Very high	45 Å²	45	41 Å²	41	37%	0.372	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-63.5	-19.4	-176.6	0	0	0	0	0	114.2	I120 G121 N126 L127 I154	I120-A124 PolarHBondContact O-N 2.86Å; G121-A124 WeakPolarHBondContact O-CB 3.49Å; G121-A124 PolarHBondContact O-N 2.9Å; A124-N126 PolarHBondContact O-N 2.71Å; A124-N126 VanDerWaalsContact O-N 3.1Å; A124-L127 VanDerWaalsContact O-CB 3.31Å; A124-L127 WeakPolarHBondContact O-CB 3.21Å; A124-L127 PolarHBondContact O-N 3.29Å; A124-I154 HydrophobicContact CB-CD1 4.06Å
125	W	93.3	Very high	95.9	Very high	160 Å²	160	47.4 Å²	47.4	61%	0.606	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-58.6	-22.2	178.1	62.9	-98	0	0	0	113.8	G99 F122 S123	G99-W125 PolarHBondContact O-NE1 3.41Å; F122-W125 VanDerWaalsContact O-CD1 3.23Å; S123-W125 PolarHBondContact O-N 2.93Å; S123-W125 VanDerWaalsContact O-N 3.12Å
126	N	93.4	Very high	95.8	Very high	13 Å²	13	55.2 Å²	55.2	7%	0.07	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-98.7	7	-176.4	-153.2	17.8	0	0	0	113.6	S123 A124 D128 R129 W130	S123-N126 PolarHBondContact O-N 3.35Å; A124-N126 PolarHBondContact O-N 2.71Å; A124-N126 VanDerWaalsContact O-N 3.1Å; N126-D128 PolarHBondContact O-N 2.98Å; N126-R129 PolarHBondContact O-N 3.42Å; N126-R129 WeakPolarHBondContact OD1-CB 3.5Å; N126-R129 VanDerWaalsContact OD1-CD 3.27Å; N126-R129 WeakPolarHBondContact OD1-CD 3.29Å; N126-W130 HydrophobicContact CB-CD2 4.13Å; N126-W130 HydrophobicContact CB-CE3 4.07Å; N126-W130 HydrophobicContact CB-CH2 3.93Å; N126-W130 HydrophobicContact CB-CZ2 3.98Å; N126-W130 HydrophobicContact CB-CZ3 3.94Å; N126-W130 VanDerWaalsContact ND2-CE2 3.29Å; N126-W130 WeakPolarHBondContact ND2-CZ2 3.5Å; N126-W130 PolarHBondContact ND2-NE1 3.23Å; N126-W130 PolarHBondContact O-N 2.74Å; N126-W130 VanDerWaalsContact O-N 3.14Å
127	L	95.1	Very high	95.7	Very high	29 Å²	29	57 Å²	57	15%	0.152	29%	0.288	C	S	.	.	H	α-helix	trans	-56	-45.9	-172.4	176.1	62.3	0	0	0	113.4	A124 R129 W130 K131 N150 L153 I154	A124-L127 VanDerWaalsContact O-CB 3.31Å; A124-L127 WeakPolarHBondContact O-CB 3.21Å; A124-L127 PolarHBondContact O-N 3.29Å; L127-R129 VanDerWaalsContact C-N 3.33Å; L127-R129 PolarHBondContact O-N 2.86Å; L127-W130 PolarHBondContact O-N 2.71Å; L127-K131 HydrophobicContact CD1-CG 4.47Å; L127-K131 WeakPolarHBondContact O-CG 3.4Å; L127-K131 PolarHBondContact O-N 3.09Å; L127-N150 HydrophobicContact CD1-CB 4.09Å; L127-N150 HydrophobicContact CD2-CB 4.06Å; L127-L153 HydrophobicContact CD1-CD2 3.85Å; L127-L153 HydrophobicContact CD1-CG 4.4Å; L127-I154 HydrophobicContact CD1-CD1 4.23Å; L127-I154 HydrophobicContact CD1-CG1 3.97Å
128	D	95.4	Very high	95.5	Very high	124 Å²	124	58.7 Å²	58.7	66%	0.663	30%	0.3	S	S	*	.	H	α-helix	trans	-65.4	-37.5	-176.3	-71.9	-26.6	0	0	0	112.3	N126 K131 G132	N126-D128 PolarHBondContact O-N 2.98Å; D128-K131 PolarHBondContact O-N 3.38Å; D128-G132 PolarHBondContact O-N 2.91Å
129	R	96.4	Very high	95.4	Very high	159 Å²	159	62.5 Å²	62.5	60%	0.6	33%	0.327	S	S	*	.	H	α-helix	trans	-62.1	-47.5	172.5	-179.9	-173.6	169.8	-177.5	-2.6	110.6	N126 L127 K131 G132 D133	N126-R129 PolarHBondContact O-N 3.42Å; N126-R129 WeakPolarHBondContact OD1-CB 3.5Å; N126-R129 VanDerWaalsContact OD1-CD 3.27Å; N126-R129 WeakPolarHBondContact OD1-CD 3.29Å; L127-R129 VanDerWaalsContact C-N 3.33Å; L127-R129 PolarHBondContact O-N 2.86Å; R129-K131 VanDerWaalsContact C-N 3.26Å; R129-K131 PolarHBondContact O-N 3.33Å; R129-G132 CarbonylContact O-C 3.59Å; R129-G132 WeakPolarHBondContact O-CA 3.49Å; R129-G132 PolarHBondContact O-N 2.78Å; R129-D133 PolarHBondContact O-N 2.8Å
130	W	96.6	Very high	95.3	Very high	7 Å²	7	61.6 Å²	61.6	3%	0.027	32%	0.322	C	S	.	.	H	α-helix	trans	-66.4	-26.7	-179.8	-68.4	-33.2	0	0	0	113.6	S123 N126 L127 G132 D133 L134 L153 I154 S157 L158	S123-W130 WeakPolarHBondContact O-CZ3 3.46Å; N126-W130 HydrophobicContact CB-CD2 4.13Å; N126-W130 HydrophobicContact CB-CE3 4.07Å; N126-W130 HydrophobicContact CB-CH2 3.93Å; N126-W130 HydrophobicContact CB-CZ2 3.98Å; N126-W130 HydrophobicContact CB-CZ3 3.94Å; N126-W130 VanDerWaalsContact ND2-CE2 3.29Å; N126-W130 WeakPolarHBondContact ND2-CZ2 3.5Å; N126-W130 PolarHBondContact ND2-NE1 3.23Å; N126-W130 PolarHBondContact O-N 2.74Å; N126-W130 VanDerWaalsContact O-N 3.14Å; L127-W130 PolarHBondContact O-N 2.71Å; W130-G132 VanDerWaalsContact C-N 3.33Å; W130-D133 PolarHBondContact O-N 3.49Å; W130-L134 WeakPolarHBondContact O-CB 3.26Å; W130-L134 PolarHBondContact O-N 3.11Å; W130-L153 HydrophobicContact CB-CD1 4.09Å; W130-L153 HydrophobicContact CB-CD2 4.12Å; W130-L153 HydrophobicContact CB-CG 4.03Å; W130-I154 HydrophobicContact CE3-CB 4.34Å; W130-I154 HydrophobicContact CE3-CG1 3.99Å; W130-I154 HydrophobicContact CE3-CG2 4.48Å; W130-I154 HydrophobicContact CH2-CG2 4.37Å; W130-I154 HydrophobicContact CZ3-CB 4.01Å; W130-I154 HydrophobicContact CZ3-CG1 3.9Å; W130-I154 HydrophobicContact CZ3-CG2 3.67Å; W130-S157 VanDerWaalsContact CE2-CB 3.43Å; W130-S157 VanDerWaalsContact CG-OG 3.31Å; W130-L158 HydrophobicContact CH2-CD2 3.86Å; W130-L158 HydrophobicContact CH2-CG 4Å; W130-L158 HydrophobicContact CZ2-CD2 4.24Å
131	K	97.3	Very high	95.2	Very high	38 Å²	38	62.7 Å²	62.7	17%	0.165	34%	0.338	C	S	.	.	H	α-helix	trans	-64.2	-40.9	168.4	-73.5	-180	178.4	-179.4	0	111.4	L127 D128 R129 W135 N150 L153	L127-K131 HydrophobicContact CD1-CG 4.47Å; L127-K131 WeakPolarHBondContact O-CG 3.4Å; L127-K131 PolarHBondContact O-N 3.09Å; D128-K131 PolarHBondContact O-N 3.38Å; R129-K131 VanDerWaalsContact C-N 3.26Å; R129-K131 PolarHBondContact O-N 3.33Å; K131-W135 WeakPolarHBondContact O-CB 3.48Å; K131-W135 PolarHBondContact O-N 2.74Å; K131-N150 WeakPolarHBondContact CE-OD1 3.41Å; K131-N150 PolarHBondContact NZ-OD1 2.81Å; K131-L153 HydrophobicContact CB-CD2 4.27Å; K131-L153 HydrophobicContact CG-CD2 3.48Å; K131-L153 VanDerWaalsContact CG-CD2 3.48Å
132	G	97.2	Very high	95.3	Very high	30 Å²	30	61 Å²	61	31%	0.309	32%	0.316	S	S	.	.	H	α-helix	trans	-59.1	-52.7	171	0	0	0	0	0	111.8	D128 R129 W130 L134 W135 E136	D128-G132 PolarHBondContact O-N 2.91Å; R129-G132 CarbonylContact O-C 3.59Å; R129-G132 WeakPolarHBondContact O-CA 3.49Å; R129-G132 PolarHBondContact O-N 2.78Å; W130-G132 VanDerWaalsContact C-N 3.33Å; G132-L134 VanDerWaalsContact C-N 3.3Å; G132-L134 PolarHBondContact O-N 2.8Å; G132-W135 WeakPolarHBondContact O-CB 3.49Å; G132-W135 PolarHBondContact O-N 2.92Å; G132-W135 VanDerWaalsContact O-N 3.12Å; G132-E136 WeakPolarHBondContact O-CG 3.44Å; G132-E136 PolarHBondContact O-N 3.23Å
133	D	96.2	Very high	95.4	Very high	35 Å²	35	58 Å²	58	19%	0.187	31%	0.307	C	S	.	.	H	α-helix	trans	-55.6	-43.3	178.2	-72.1	13.9	0	0	0	112	R129 W130 E136 A137 L190 R194	R129-D133 PolarHBondContact O-N 2.8Å; W130-D133 PolarHBondContact O-N 3.49Å; D133-E136 PolarHBondContact O-N 2.75Å; D133-A137 VanDerWaalsContact O-CB 3.25Å; D133-A137 WeakPolarHBondContact O-CB 3.21Å; D133-A137 PolarHBondContact O-N 3Å; D133-L190 HydrophobicContact CB-CD2 4.46Å; D133-R194 IonicContact OD2-NH2 3.34Å; D133-R194 PolarHBondContact OD2-NH2 3.3Å
134	L	97.3	Very high	95.2	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-66.4	-42.5	178.2	-176.8	68.4	0	0	0	111.7	W130 G132 E136 A137 C138 V140 I142 L153 I186 I189	W130-L134 WeakPolarHBondContact O-CB 3.26Å; W130-L134 PolarHBondContact O-N 3.11Å; G132-L134 VanDerWaalsContact C-N 3.3Å; G132-L134 PolarHBondContact O-N 2.8Å; L134-E136 VanDerWaalsContact C-N 3.34Å; L134-E136 PolarHBondContact O-N 3.4Å; L134-A137 PolarHBondContact O-N 3.48Å; L134-C138 VanDerWaalsContact CD1-SG 3.6Å; L134-C138 PolarHBondContact O-N 3.31Å; L134-C138 PolarHBondContact O-SG 3.39Å; L134-C138 VanDerWaalsContact O-SG 3.38Å; L134-V140 HydrophobicContact CD2-CB 4.43Å; L134-V140 HydrophobicContact CD2-CG1 4.49Å; L134-I142 HydrophobicContact CD2-CD1 3.76Å; L134-I142 HydrophobicContact CD2-CG1 4.03Å; L134-L153 HydrophobicContact CB-CD1 4.08Å; L134-L153 HydrophobicContact CD2-CD1 4.18Å; L134-I186 HydrophobicContact CD1-CG2 4.28Å; L134-I189 HydrophobicContact CD1-CG2 4.42Å
135	W	97.2	Very high	95.2	Very high	147 Å²	147	72.7 Å²	72.7	56%	0.557	36%	0.361	S	S	*	.	H	α-helix	trans	-62.1	-42.3	176.9	-179.4	-96.6	0	0	0	111.7	K131 G132 A137 S139	K131-W135 WeakPolarHBondContact O-CB 3.48Å; K131-W135 PolarHBondContact O-N 2.74Å; G132-W135 WeakPolarHBondContact O-CB 3.49Å; G132-W135 PolarHBondContact O-N 2.92Å; G132-W135 VanDerWaalsContact O-N 3.12Å; W135-A137 VanDerWaalsContact C-N 3.34Å; W135-S139 WeakPolarHBondContact CZ3-O 3.32Å; W135-S139 WeakPolarHBondContact O-CA 2.78Å; W135-S139 PolarHBondContact O-N 2.89Å
136	E	96.3	Very high	95.2	Very high	163 Å²	163	65.9 Å²	65.9	76%	0.762	34%	0.336	S	S	*	.	H	α-helix	trans	-65.5	-37.6	174.7	-70.8	178.7	-175.5	0	0	112.1	G132 D133 L134	G132-E136 WeakPolarHBondContact O-CG 3.44Å; G132-E136 PolarHBondContact O-N 3.23Å; D133-E136 PolarHBondContact O-N 2.75Å; L134-E136 VanDerWaalsContact C-N 3.34Å; L134-E136 PolarHBondContact O-N 3.4Å
137	A	95	Very high	95.3	Very high	37 Å²	37	74.2 Å²	74.2	31%	0.306	37%	0.366	S	S	.	.	H	α-helix	trans	-71	-42.9	-178.7	0	0	0	0	0	113.6	D133 L134 W135 I189 L190 A193	D133-A137 VanDerWaalsContact O-CB 3.25Å; D133-A137 WeakPolarHBondContact O-CB 3.21Å; D133-A137 PolarHBondContact O-N 3Å; L134-A137 PolarHBondContact O-N 3.48Å; W135-A137 VanDerWaalsContact C-N 3.34Å; A137-I189 HydrophobicContact CB-CG2 4.48Å; A137-L190 HydrophobicContact CB-CD2 4.13Å; A137-A193 HydrophobicContact CB-CB 3.61Å
138	C	94.9	Very high	95.3	Very high	38 Å²	38	76.5 Å²	76.5	26%	0.257	38%	0.376	S	S	.	.	H	α-helix	trans	-147.3	9.1	-171.7	64.1	0	0	0	0	115.5	L134 V140 I189	L134-C138 VanDerWaalsContact CD1-SG 3.6Å; L134-C138 PolarHBondContact O-N 3.31Å; L134-C138 PolarHBondContact O-SG 3.39Å; L134-C138 VanDerWaalsContact O-SG 3.38Å; C138-V140 HydrophobicContact CB-CG2 4.4Å; C138-V140 PolarHBondContact O-N 3.48Å; C138-V140 VanDerWaalsContact SG-CG2 3.57Å; C138-I189 HydrophobicContact CB-CG2 4.15Å
139	S	95.9	Very high	95.3	Very high	80 Å²	80	70.6 Å²	70.6	56%	0.559	35%	0.345	S	S	*	.			trans	57.1	32.4	179.5	-53.5	0	0	0	0	114.2	W135	W135-S139 WeakPolarHBondContact CZ3-O 3.32Å; W135-S139 WeakPolarHBondContact O-CA 2.78Å; W135-S139 PolarHBondContact O-N 2.89Å
140	V	95.1	Very high	95.3	Very high	13 Å²	13	63.6 Å²	63.6	8%	0.079	32%	0.319	C	S	.	.			trans	-100.8	119.2	175.1	179.6	0	0	0	0	109.7	L134 C138 C243 M244	L134-V140 HydrophobicContact CD2-CB 4.43Å; L134-V140 HydrophobicContact CD2-CG1 4.49Å; C138-V140 HydrophobicContact CB-CG2 4.4Å; C138-V140 PolarHBondContact O-N 3.48Å; C138-V140 VanDerWaalsContact SG-CG2 3.57Å; V140-C243 HydrophobicContact CB-CB 4.47Å; V140-C243 HydrophobicContact CG1-CB 3.92Å; V140-C243 HydrophobicContact CG2-CB 3.67Å; V140-M244 HydrophobicContact CG1-CE 4.28Å; V140-M244 HydrophobicContact CG1-CG 4.16Å
141	G	94.8	Very high	95.3	Very high	40 Å²	40	65 Å²	65	41%	0.412	33%	0.327	S	S	.	.			trans	-91.3	145.8	174.4	0	0	0	0	0	112.4	H240	G141-H240 WeakPolarHBondContact O-CB 3.44Å
142	I	95.6	Very high	95.3	Very high	19 Å²	19	63.4 Å²	63.4	10%	0.097	32%	0.32	C	S	.	.			trans	-112.2	120.4	176	-61.3	-175.3	0	0	0	110	L134 Y144 A149 N150 L153 M244	L134-I142 HydrophobicContact CD2-CD1 3.76Å; L134-I142 HydrophobicContact CD2-CG1 4.03Å; I142-Y144 PolarHBondContact O-N 3.49Å; I142-A149 HydrophobicContact CG2-CB 3.74Å; I142-N150 WeakPolarHBondContact CG2-OD1 3.48Å; I142-L153 HydrophobicContact CD1-CB 3.7Å; I142-L153 HydrophobicContact CD1-CD2 3.76Å; I142-L153 HydrophobicContact CD1-CG 4.22Å; I142-M244 HydrophobicContact CD1-CE 3.39Å; I142-M244 HydrophobicContact CG1-CE 3.33Å
143	P	94.1	Very high	95.3	Very high	40 Å²	40	62 Å²	62	26%	0.26	31%	0.306	S	S	.	.			trans	-58.1	137	174.3	-22.9	33.4	0	0	0	112	H145 D146	P143-H145 VanDerWaalsContact C-N 3.25Å; P143-H145 PolarHBondContact O-N 2.87Å; P143-D146 HydrophobicContact CB-CB 4.45Å; P143-D146 PolarHBondContact O-N 3.02Å; P143-D146 VanDerWaalsContact O-N 3.16Å
144	Y	89.1	Confident	95.4	Very high	198 Å²	198	60.5 Å²	60.5	78%	0.776	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-37.7	-178.4	176.7	-95.6	0	0	0	113.3	I142 N150	I142-Y144 PolarHBondContact O-N 3.49Å; Y144-N150 PolarHBondContact O-ND2 2.9Å; Y144-N150 VanDerWaalsContact O-ND2 3.15Å
145	H	92.3	Very high	95.5	Very high	157 Å²	157	60.5 Å²	60.5	73%	0.727	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-13.6	-176.6	61.7	-90.3	0	0	0	114.1	P143 R147	P143-H145 VanDerWaalsContact C-N 3.25Å; P143-H145 PolarHBondContact O-N 2.87Å; H145-R147 PolarHBondContact O-N 3.33Å
146	D	94.4	Very high	95.5	Very high	17 Å²	17	53.5 Å²	53.5	9%	0.091	27%	0.271	C	S	.	.			trans	-82.9	85.6	179.2	-169.5	-19.2	0	0	0	110.5	P143 E148 A149 N150 H240 R241	P143-D146 HydrophobicContact CB-CB 4.45Å; P143-D146 PolarHBondContact O-N 3.02Å; P143-D146 VanDerWaalsContact O-N 3.16Å; D146-E148 VanDerWaalsContact C-N 3.28Å; D146-E148 PolarHBondContact O-N 2.83Å; D146-E148 PolarHBondContact OD1-N 2.65Å; D146-A149 HydrophobicContact CB-CB 4.05Å; D146-A149 PolarHBondContact O-N 3.03Å; D146-A149 PolarHBondContact OD1-N 3.47Å; D146-A149 VanDerWaalsContact OD1-N 3.08Å; D146-N150 PolarHBondContact O-N 3.37Å; D146-N150 PolarHBondContact O-ND2 3.33Å; D146-H240 IonicContact OD2-CD2 2.75Å; D146-H240 IonicContact OD2-CE1 3.87Å; D146-H240 PolarHBondContact OD2-CE1 3.12Å; D146-H240 IonicContact OD2-NE2 2.64Å; D146-H240 PolarHBondContact OD2-NE2 2.56Å; D146-R241 VanDerWaalsContact CG-NH2 3.31Å; D146-R241 IonicContact OD1-CZ 3.98Å; D146-R241 IonicContact OD1-NE 2.79Å; D146-R241 IonicContact OD1-NH2 2.75Å; D146-R241 PolarHBondContact OD1-NH2 3.2Å; D146-R241 IonicContact OD2-CZ 2.67Å; D146-R241 IonicContact OD2-NE 2.75Å; D146-R241 PolarHBondContact OD2-NE 2.94Å; D146-R241 IonicContact OD2-NH2 2.76Å; D146-R241 PolarHBondContact OD2-NH2 3.39Å
147	R	94.7	Very high	95.6	Very high	188 Å²	188	45.7 Å²	45.7	71%	0.709	24%	0.235	S	C	*	.	H	α-helix	trans	-55.9	-41.3	179.5	-177.2	176.1	175.5	164.3	2	112.8	H145 N150 D151	H145-R147 PolarHBondContact O-N 3.33Å; R147-N150 PolarHBondContact O-N 2.96Å; R147-D151 IonicContact NE-OD2 2.91Å; R147-D151 WeakPolarHBondContact O-CB 3.44Å; R147-D151 VanDerWaalsContact O-CG 3.24Å; R147-D151 PolarHBondContact O-N 3.24Å
148	E	94.8	Very high	95.8	Very high	77 Å²	77	44 Å²	44	36%	0.36	22%	0.221	S	C	.	.	H	α-helix	trans	-63.2	-47.6	-178.2	-175.2	-177.8	179	0	0	110.5	D146 N150 D151 M152 W182 R241	D146-E148 VanDerWaalsContact C-N 3.28Å; D146-E148 PolarHBondContact O-N 2.83Å; D146-E148 PolarHBondContact OD1-N 2.65Å; E148-N150 VanDerWaalsContact C-N 3.32Å; E148-N150 PolarHBondContact O-N 3.28Å; E148-D151 PolarHBondContact O-N 3.4Å; E148-M152 HydrophobicContact CG-CE 4.12Å; E148-M152 WeakPolarHBondContact O-CE 3.48Å; E148-M152 VanDerWaalsContact O-CG 3.27Å; E148-M152 WeakPolarHBondContact O-CG 3.22Å; E148-M152 PolarHBondContact O-N 3.5Å; E148-W182 HydrophobicContact CG-CH2 4.17Å; E148-R241 IonicContact OE1-NH1 3.09Å; E148-R241 IonicContact OE2-CZ 3.1Å; E148-R241 IonicContact OE2-NH1 2.75Å; E148-R241 PolarHBondContact OE2-NH1 3.46Å; E148-R241 IonicContact OE2-NH2 3.85Å; E148-R241 PolarHBondContact OE2-NH2 3.29Å
149	A	96.2	Very high	96	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62.9	-37.2	176.6	0	0	0	0	0	112.6	I142 D146 M152 L153 M244	I142-A149 HydrophobicContact CG2-CB 3.74Å; D146-A149 HydrophobicContact CB-CB 4.05Å; D146-A149 PolarHBondContact O-N 3.03Å; D146-A149 PolarHBondContact OD1-N 3.47Å; D146-A149 VanDerWaalsContact OD1-N 3.08Å; A149-M152 PolarHBondContact O-N 3.41Å; A149-L153 PolarHBondContact O-N 3.46Å; A149-M244 HydrophobicContact CB-CE 4.24Å
150	N	97	Very high	96.1	Very high	12 Å²	12	38.4 Å²	38.4	6%	0.064	18%	0.182	C	C	.	.	H	α-helix	trans	-64.6	-43.9	174.1	-69.3	-57.4	0	0	0	111.9	L127 K131 I142 Y144 D146 R147 E148 M152 L153 I154	L127-N150 HydrophobicContact CD1-CB 4.09Å; L127-N150 HydrophobicContact CD2-CB 4.06Å; K131-N150 WeakPolarHBondContact CE-OD1 3.41Å; K131-N150 PolarHBondContact NZ-OD1 2.81Å; I142-N150 WeakPolarHBondContact CG2-OD1 3.48Å; Y144-N150 PolarHBondContact O-ND2 2.9Å; Y144-N150 VanDerWaalsContact O-ND2 3.15Å; D146-N150 PolarHBondContact O-N 3.37Å; D146-N150 PolarHBondContact O-ND2 3.33Å; R147-N150 PolarHBondContact O-N 2.96Å; E148-N150 VanDerWaalsContact C-N 3.32Å; E148-N150 PolarHBondContact O-N 3.28Å; N150-M152 VanDerWaalsContact C-N 3.33Å; N150-M152 PolarHBondContact O-N 2.97Å; N150-L153 WeakPolarHBondContact O-CB 3.37Å; N150-L153 PolarHBondContact O-N 3.35Å; N150-I154 WeakPolarHBondContact O-CG1 3.43Å; N150-I154 PolarHBondContact O-N 3.19Å
151	D	96.9	Very high	96.2	Very high	37 Å²	37	40.2 Å²	40.2	20%	0.198	19%	0.187	C	C	.	.	H	α-helix	trans	-62.4	-41	177.5	-71.1	-13.9	0	0	0	110.8	W35 I120 R147 E148 L153 I154 F155	W35-D151 HydrophobicContact CH2-CB 4.05Å; I120-D151 HydrophobicContact CD1-CB 4.08Å; R147-D151 IonicContact NE-OD2 2.91Å; R147-D151 WeakPolarHBondContact O-CB 3.44Å; R147-D151 VanDerWaalsContact O-CG 3.24Å; R147-D151 PolarHBondContact O-N 3.24Å; E148-D151 PolarHBondContact O-N 3.4Å; D151-L153 VanDerWaalsContact C-N 3.34Å; D151-L153 PolarHBondContact O-N 3.14Å; D151-I154 PolarHBondContact O-N 2.79Å; D151-F155 WeakPolarHBondContact O-CB 3.39Å; D151-F155 PolarHBondContact O-N 3.21Å
152	M	96.6	Very high	96.4	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.015	17%	0.167	C	C	.	.	H	α-helix	trans	-64	-37.7	174.4	-62.1	-41	112.5	0	0	112.3	W35 E148 A149 N150 F155 G156 W182 Q183 I186	W35-M152 HydrophobicContact CD2-CE 3.66Å; W35-M152 HydrophobicContact CD2-SD 3.8Å; W35-M152 HydrophobicContact CE3-CE 3.57Å; W35-M152 HydrophobicContact CE3-SD 3.46Å; W35-M152 HydrophobicContact CG-CE 4.5Å; W35-M152 HydrophobicContact CG-SD 4.38Å; W35-M152 HydrophobicContact CH2-CE 3.36Å; W35-M152 HydrophobicContact CH2-SD 4.3Å; W35-M152 HydrophobicContact CZ2-CE 3.49Å; W35-M152 VanDerWaalsContact CZ2-CE 3.49Å; W35-M152 HydrophobicContact CZ3-CE 3.41Å; W35-M152 VanDerWaalsContact CZ3-CE 3.41Å; W35-M152 HydrophobicContact CZ3-SD 3.73Å; E148-M152 HydrophobicContact CG-CE 4.12Å; E148-M152 WeakPolarHBondContact O-CE 3.48Å; E148-M152 VanDerWaalsContact O-CG 3.27Å; E148-M152 WeakPolarHBondContact O-CG 3.22Å; E148-M152 PolarHBondContact O-N 3.5Å; A149-M152 PolarHBondContact O-N 3.41Å; N150-M152 VanDerWaalsContact C-N 3.33Å; N150-M152 PolarHBondContact O-N 2.97Å; M152-F155 PolarHBondContact O-N 3.21Å; M152-G156 PolarHBondContact O-N 2.97Å; M152-W182 HydrophobicContact CB-CZ3 4.45Å; M152-W182 HydrophobicContact CG-CH2 4.1Å; M152-W182 HydrophobicContact CG-CZ3 3.82Å; M152-Q183 HydrophobicContact CE-CG 4.42Å; M152-Q183 HydrophobicContact CG-CB 4.09Å; M152-Q183 HydrophobicContact CG-CG 4.02Å; M152-Q183 HydrophobicContact SD-CB 3.33Å; M152-Q183 WeakPolarHBondContact SD-CB 3.44Å; M152-Q183 HydrophobicContact SD-CG 3.43Å; M152-Q183 WeakPolarHBondContact SD-CG 3.29Å; M152-I186 HydrophobicContact CB-CD1 4.02Å
153	L	97.9	Very high	96.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-64.4	-44.4	176.6	171.8	61	0	0	0	111.4	L127 W130 K131 L134 I142 A149 N150 D151 G156 S157 I186	L127-L153 HydrophobicContact CD1-CD2 3.85Å; L127-L153 HydrophobicContact CD1-CG 4.4Å; W130-L153 HydrophobicContact CB-CD1 4.09Å; W130-L153 HydrophobicContact CB-CD2 4.12Å; W130-L153 HydrophobicContact CB-CG 4.03Å; K131-L153 HydrophobicContact CB-CD2 4.27Å; K131-L153 HydrophobicContact CG-CD2 3.48Å; K131-L153 VanDerWaalsContact CG-CD2 3.48Å; L134-L153 HydrophobicContact CB-CD1 4.08Å; L134-L153 HydrophobicContact CD2-CD1 4.18Å; I142-L153 HydrophobicContact CD1-CB 3.7Å; I142-L153 HydrophobicContact CD1-CD2 3.76Å; I142-L153 HydrophobicContact CD1-CG 4.22Å; A149-L153 PolarHBondContact O-N 3.46Å; N150-L153 WeakPolarHBondContact O-CB 3.37Å; N150-L153 PolarHBondContact O-N 3.35Å; D151-L153 VanDerWaalsContact C-N 3.34Å; D151-L153 PolarHBondContact O-N 3.14Å; L153-G156 PolarHBondContact O-N 3.44Å; L153-S157 VanDerWaalsContact O-CB 3.25Å; L153-S157 WeakPolarHBondContact O-CB 3.45Å; L153-S157 PolarHBondContact O-N 3.43Å; L153-S157 PolarHBondContact O-OG 3.24Å; L153-I186 HydrophobicContact CB-CD1 4.08Å; L153-I186 HydrophobicContact CD1-CG2 3.89Å
154	I	98	Very high	96.7	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.021	16%	0.164	C	C	.	.	H	α-helix	trans	-60.8	-50.6	176.4	-66.2	162.4	0	0	0	109.7	I120 A124 L127 W130 N150 D151 G156 S157 L158	I120-I154 HydrophobicContact CB-CB 4.44Å; I120-I154 HydrophobicContact CB-CG2 3.77Å; I120-I154 HydrophobicContact CG2-CG2 4.07Å; A124-I154 HydrophobicContact CB-CD1 4.06Å; L127-I154 HydrophobicContact CD1-CD1 4.23Å; L127-I154 HydrophobicContact CD1-CG1 3.97Å; W130-I154 HydrophobicContact CE3-CB 4.34Å; W130-I154 HydrophobicContact CE3-CG1 3.99Å; W130-I154 HydrophobicContact CE3-CG2 4.48Å; W130-I154 HydrophobicContact CH2-CG2 4.37Å; W130-I154 HydrophobicContact CZ3-CB 4.01Å; W130-I154 HydrophobicContact CZ3-CG1 3.9Å; W130-I154 HydrophobicContact CZ3-CG2 3.67Å; N150-I154 WeakPolarHBondContact O-CG1 3.43Å; N150-I154 PolarHBondContact O-N 3.19Å; D151-I154 PolarHBondContact O-N 2.79Å; I154-G156 PolarHBondContact O-N 2.99Å; I154-S157 PolarHBondContact O-N 2.92Å; I154-L158 HydrophobicContact CG2-CD1 3.82Å; I154-L158 HydrophobicContact CG2-CG 4.4Å; I154-L158 WeakPolarHBondContact O-CG 3.45Å; I154-L158 PolarHBondContact O-N 3.23Å
155	F	98.4	Very high	97.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-58.9	-46.8	179.2	176.2	-117	0	0	0	112.8	V33 W35 I66 F118 I120 D151 M152 S157 L158 T159 A184	V33-F155 HydrophobicContact CG1-CE1 3.97Å; V33-F155 HydrophobicContact CG1-CZ 3.76Å; W35-F155 HydrophobicContact CE3-CB 4.34Å; W35-F155 AromaticContact CE3-CD1 3.93Å; W35-F155 HydrophobicContact CE3-CD1 3.93Å; W35-F155 HydrophobicContact CE3-CE1 4.46Å; W35-F155 HydrophobicContact CE3-CG 4.09Å; W35-F155 HydrophobicContact CZ3-CB 3.85Å; W35-F155 HydrophobicContact CZ3-CD1 4.3Å; W35-F155 HydrophobicContact CZ3-CG 4.04Å; I66-F155 HydrophobicContact CG2-CE2 4.2Å; I66-F155 HydrophobicContact CG2-CZ 4.29Å; F118-F155 AromaticContact CD2-CD2 3.98Å; F118-F155 HydrophobicContact CD2-CD2 3.98Å; F118-F155 AromaticContact CD2-CE2 3.86Å; F118-F155 HydrophobicContact CD2-CE2 3.86Å; F118-F155 HydrophobicContact CE2-CE2 4.5Å; I120-F155 HydrophobicContact CG2-CB 4.05Å; D151-F155 WeakPolarHBondContact O-CB 3.39Å; D151-F155 PolarHBondContact O-N 3.21Å; M152-F155 PolarHBondContact O-N 3.21Å; F155-S157 PolarHBondContact O-N 3.12Å; F155-L158 PolarHBondContact O-N 3.45Å; F155-T159 WeakPolarHBondContact O-CB 3.46Å; F155-T159 PolarHBondContact O-N 2.85Å; F155-T159 PolarHBondContact O-OG1 3.19Å; F155-A184 HydrophobicContact CE1-CB 4.21Å
156	G	98.1	Very high	97.3	Very high	0 Å²	0	23 Å²	23	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-63.1	-40.1	176.5	0	0	0	0	0	112.6	M152 L153 I154 T159 A160 G187	M152-G156 PolarHBondContact O-N 2.97Å; L153-G156 PolarHBondContact O-N 3.44Å; I154-G156 PolarHBondContact O-N 2.99Å; G156-T159 PolarHBondContact O-N 3Å; G156-A160 WeakPolarHBondContact O-CB 3.34Å; G156-A160 PolarHBondContact O-N 3.29Å; G156-G187 VanDerWaalsContact O-CA 3.23Å; G156-G187 WeakPolarHBondContact O-CA 3.36Å
157	S	98.2	Very high	97.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-66.8	-42.1	178.8	-58.9	0	0	0	0	112.5	W130 L153 I154 F155 A160 W161 L190	W130-S157 VanDerWaalsContact CE2-CB 3.43Å; W130-S157 VanDerWaalsContact CG-OG 3.31Å; L153-S157 VanDerWaalsContact O-CB 3.25Å; L153-S157 WeakPolarHBondContact O-CB 3.45Å; L153-S157 PolarHBondContact O-N 3.43Å; L153-S157 PolarHBondContact O-OG 3.24Å; I154-S157 PolarHBondContact O-N 2.92Å; F155-S157 PolarHBondContact O-N 3.12Å; S157-A160 PolarHBondContact O-N 3.48Å; S157-W161 WeakPolarHBondContact O-CB 3.22Å; S157-W161 PolarHBondContact O-N 3.38Å; S157-L190 WeakPolarHBondContact OG-CD1 3.3Å
158	L	98.5	Very high	97.3	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-64.2	-41.6	173.2	-69.3	171.3	0	0	0	111.3	M95 C100 F118 I120 W130 I154 F155 W161 F162	M95-L158 HydrophobicContact CE-CB 4.24Å; M95-L158 HydrophobicContact CE-CD2 3.75Å; C100-L158 HydrophobicContact CB-CD2 4.32Å; F118-L158 HydrophobicContact CB-CB 4.4Å; F118-L158 HydrophobicContact CB-CD1 3.87Å; F118-L158 HydrophobicContact CD1-CB 4.39Å; F118-L158 HydrophobicContact CD2-CB 3.96Å; F118-L158 HydrophobicContact CE2-CB 4.34Å; F118-L158 HydrophobicContact CG-CB 4Å; F118-L158 HydrophobicContact CG-CD1 4.34Å; I120-L158 HydrophobicContact CG2-CD1 4.5Å; W130-L158 HydrophobicContact CH2-CD2 3.86Å; W130-L158 HydrophobicContact CH2-CG 4Å; W130-L158 HydrophobicContact CZ2-CD2 4.24Å; I154-L158 HydrophobicContact CG2-CD1 3.82Å; I154-L158 HydrophobicContact CG2-CG 4.4Å; I154-L158 WeakPolarHBondContact O-CG 3.45Å; I154-L158 PolarHBondContact O-N 3.23Å; F155-L158 PolarHBondContact O-N 3.45Å; L158-W161 PolarHBondContact O-N 3.37Å; L158-F162 WeakPolarHBondContact O-CB 3.42Å; L158-F162 PolarHBondContact O-N 3.19Å
159	T	98.5	Very high	97	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-61.3	-48	175.9	-57.8	0	0	0	0	111.6	V33 I66 F155 G156 W161 F162 L163 F179	V33-T159 HydrophobicContact CG1-CG2 3.93Å; V33-T159 HydrophobicContact CG2-CG2 4.13Å; I66-T159 HydrophobicContact CD1-CG2 4.38Å; I66-T159 HydrophobicContact CG2-CG2 4.42Å; F155-T159 WeakPolarHBondContact O-CB 3.46Å; F155-T159 PolarHBondContact O-N 2.85Å; F155-T159 PolarHBondContact O-OG1 3.19Å; G156-T159 PolarHBondContact O-N 3Å; T159-W161 VanDerWaalsContact C-N 3.31Å; T159-W161 PolarHBondContact O-N 3.02Å; T159-F162 PolarHBondContact O-N 3.44Å; T159-L163 HydrophobicContact CG2-CD1 4Å; T159-L163 HydrophobicContact CG2-CG 4.42Å; T159-L163 WeakPolarHBondContact O-CB 3.4Å; T159-L163 VanDerWaalsContact O-CG 3.32Å; T159-L163 WeakPolarHBondContact O-CG 3.28Å; T159-L163 PolarHBondContact O-N 3.41Å; T159-F179 HydrophobicContact CG2-CE1 3.9Å; T159-F179 HydrophobicContact CG2-CZ 4.5Å
160	A	98.3	Very high	96.4	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-65.3	-34.7	178.7	0	0	0	0	0	112.4	G156 S157 K164 L190	G156-A160 WeakPolarHBondContact O-CB 3.34Å; G156-A160 PolarHBondContact O-N 3.29Å; S157-A160 PolarHBondContact O-N 3.48Å; A160-K164 WeakPolarHBondContact O-CB 3.42Å; A160-K164 PolarHBondContact O-N 3.09Å; A160-L190 HydrophobicContact CB-CB 3.73Å
161	W	98	Very high	95.4	Very high	51 Å²	51	23.3 Å²	23.3	19%	0.193	12%	0.117	C	C	.	.	H	α-helix	trans	-66.7	-50.3	173.1	-173.6	-1	0	0	0	111	M95 H98 C100 S157 L158 T159 L163 K164 E165	M95-W161 HydrophobicContact CE-CB 4.35Å; M95-W161 HydrophobicContact CE-CD2 4.33Å; M95-W161 HydrophobicContact CE-CE3 4.37Å; M95-W161 HydrophobicContact CE-CG 4.35Å; M95-W161 HydrophobicContact CG-CD2 4.47Å; H98-W161 HydrophobicContact CB-CH2 3.63Å; H98-W161 HydrophobicContact CB-CZ2 3.72Å; C100-W161 WeakPolarHBondContact SG-CZ3 3.01Å; S157-W161 WeakPolarHBondContact O-CB 3.22Å; S157-W161 PolarHBondContact O-N 3.38Å; L158-W161 PolarHBondContact O-N 3.37Å; T159-W161 VanDerWaalsContact C-N 3.31Å; T159-W161 PolarHBondContact O-N 3.02Å; W161-L163 VanDerWaalsContact C-N 3.35Å; W161-L163 PolarHBondContact O-N 3.13Å; W161-K164 WeakPolarHBondContact O-CB 3.37Å; W161-K164 PolarHBondContact O-N 3.28Å; W161-K164 VanDerWaalsContact O-N 3.09Å; W161-E165 PolarHBondContact NE1-OE1 3.2Å; W161-E165 PolarHBondContact O-N 3.16Å
162	F	98.5	Very high	94.7	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-55.3	-48.6	177.4	176.3	-101.5	0	0	0	112.2	F31 I66 V88 A91 V92 M95 V116 F118 L158 T159 K164 E165 V166	F31-F162 AromaticContact CD1-CE1 3.97Å; F31-F162 HydrophobicContact CD1-CE1 3.97Å; F31-F162 AromaticContact CE1-CE1 3.63Å; F31-F162 HydrophobicContact CE1-CE1 3.63Å; F31-F162 HydrophobicContact CE1-CZ 4.12Å; F31-F162 HydrophobicContact CZ-CE1 4.33Å; I66-F162 HydrophobicContact CD1-CD1 3.8Å; I66-F162 HydrophobicContact CD1-CE1 3.9Å; V88-F162 HydrophobicContact CG1-CE2 4.49Å; V88-F162 HydrophobicContact CG1-CZ 4.09Å; A91-F162 HydrophobicContact CB-CD2 3.86Å; A91-F162 HydrophobicContact CB-CE2 3.65Å; A91-F162 HydrophobicContact CB-CZ 4.45Å; V92-F162 HydrophobicContact CG2-CE2 4.11Å; M95-F162 HydrophobicContact CE-CB 4.36Å; M95-F162 VanDerWaalsContact SD-CA 3.54Å; M95-F162 HydrophobicContact SD-CB 3.52Å; M95-F162 VanDerWaalsContact SD-CB 3.52Å; M95-F162 HydrophobicContact SD-CD2 3.86Å; M95-F162 HydrophobicContact SD-CG 4.19Å; V116-F162 HydrophobicContact CG1-CD2 4.38Å; V116-F162 HydrophobicContact CG1-CE1 4.49Å; V116-F162 HydrophobicContact CG1-CE2 4.04Å; V116-F162 HydrophobicContact CG1-CZ 4.1Å; V116-F162 HydrophobicContact CG2-CE1 4.35Å; V116-F162 HydrophobicContact CG2-CZ 3.92Å; F118-F162 HydrophobicContact CE1-CB 4.05Å; F118-F162 HydrophobicContact CE1-CD2 4.33Å; F118-F162 HydrophobicContact CE1-CG 4.21Å; F118-F162 HydrophobicContact CZ-CB 3.52Å; F118-F162 HydrophobicContact CZ-CD1 4.2Å; F118-F162 HydrophobicContact CZ-CD2 4.31Å; F118-F162 AromaticContact CZ-CG 3.75Å; F118-F162 HydrophobicContact CZ-CG 3.75Å; L158-F162 WeakPolarHBondContact O-CB 3.42Å; L158-F162 PolarHBondContact O-N 3.19Å; T159-F162 PolarHBondContact O-N 3.44Å; F162-K164 VanDerWaalsContact C-N 3.27Å; F162-K164 PolarHBondContact O-N 2.75Å; F162-E165 PolarHBondContact O-N 3.1Å; F162-E165 VanDerWaalsContact O-N 3.1Å; F162-V166 HydrophobicContact CD1-CG2 4.18Å; F162-V166 HydrophobicContact CD2-CG2 4.48Å; F162-V166 HydrophobicContact CE1-CG2 3.68Å; F162-V166 HydrophobicContact CE2-CG2 4Å; F162-V166 HydrophobicContact CZ-CG2 3.57Å; F162-V166 WeakPolarHBondContact O-CG2 3.48Å; F162-V166 PolarHBondContact O-N 2.86Å
163	L	98.3	Very high	94.4	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61.2	-36.1	178.7	-70.8	172.8	0	0	0	112.1	F31 I66 T159 W161 V166 T167 V175 A177 F179 L196 I198	F31-L163 HydrophobicContact CB-CD2 4.08Å; F31-L163 HydrophobicContact CD1-CD2 4.49Å; F31-L163 HydrophobicContact CD2-CD2 3.87Å; F31-L163 HydrophobicContact CE2-CD2 4.47Å; F31-L163 HydrophobicContact CG-CD2 3.88Å; I66-L163 HydrophobicContact CD1-CD2 4.48Å; T159-L163 HydrophobicContact CG2-CD1 4Å; T159-L163 HydrophobicContact CG2-CG 4.42Å; T159-L163 WeakPolarHBondContact O-CB 3.4Å; T159-L163 VanDerWaalsContact O-CG 3.32Å; T159-L163 WeakPolarHBondContact O-CG 3.28Å; T159-L163 PolarHBondContact O-N 3.41Å; W161-L163 VanDerWaalsContact C-N 3.35Å; W161-L163 PolarHBondContact O-N 3.13Å; L163-V166 PolarHBondContact O-N 2.8Å; L163-T167 WeakPolarHBondContact O-CG2 3.36Å; L163-T167 PolarHBondContact O-N 2.9Å; L163-T167 PolarHBondContact O-OG1 3.01Å; L163-V175 HydrophobicContact CD2-CG1 4.36Å; L163-A177 HydrophobicContact CD1-CB 4.01Å; L163-A177 HydrophobicContact CD2-CB 4.48Å; L163-F179 HydrophobicContact CD1-CZ 3.83Å; L163-L196 HydrophobicContact CB-CD1 4.42Å; L163-I198 HydrophobicContact CD1-CD1 4.05Å
164	K	97.5	Very high	94.3	Very high	66 Å²	66	33 Å²	33	29%	0.287	17%	0.165	S	C	.	.	H	α-helix	trans	-61.9	-49	172.5	176.2	-84.6	-175.3	-164.2	0	111	A160 W161 F162 V166 T167 D168 L196	A160-K164 WeakPolarHBondContact O-CB 3.42Å; A160-K164 PolarHBondContact O-N 3.09Å; W161-K164 WeakPolarHBondContact O-CB 3.37Å; W161-K164 PolarHBondContact O-N 3.28Å; W161-K164 VanDerWaalsContact O-N 3.09Å; F162-K164 VanDerWaalsContact C-N 3.27Å; F162-K164 PolarHBondContact O-N 2.75Å; K164-V166 VanDerWaalsContact C-N 3.28Å; K164-V166 PolarHBondContact O-N 3.23Å; K164-T167 WeakPolarHBondContact CA-OG1 3.46Å; K164-T167 PolarHBondContact O-N 3.18Å; K164-T167 PolarHBondContact O-OG1 2.84Å; K164-D168 WeakPolarHBondContact CE-OD2 3.48Å; K164-D168 IonicContact NZ-OD2 3.1Å; K164-D168 PolarHBondContact NZ-OD2 2.82Å; K164-D168 PolarHBondContact O-N 3.41Å; K164-L196 HydrophobicContact CB-CD1 3.92Å; K164-L196 HydrophobicContact CB-CD2 3.73Å; K164-L196 HydrophobicContact CG-CD2 3.83Å
165	E	97.1	Very high	94.2	Very high	26 Å²	26	32.9 Å²	32.9	12%	0.121	17%	0.165	C	C	.	.	H	α-helix	trans	-63.8	-35.6	-179.8	-63.2	-59	138.8	0	0	111.7	A91 A94 W161 F162 H169	A91-E165 HydrophobicContact CB-CB 3.6Å; A94-E165 HydrophobicContact CB-CG 4.4Å; W161-E165 PolarHBondContact NE1-OE1 3.2Å; W161-E165 PolarHBondContact O-N 3.16Å; F162-E165 PolarHBondContact O-N 3.1Å; F162-E165 VanDerWaalsContact O-N 3.1Å; E165-H169 PolarHBondContact O-CD2 2.83Å; E165-H169 VanDerWaalsContact O-CD2 3.26Å
166	V	96.8	Very high	94.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-63.9	-47.7	173	171.4	0	0	0	0	110.8	L29 F31 A87 A91 F162 L163 K164 D168 H169 A170 V175	L29-V166 HydrophobicContact CD1-CG1 4.1Å; F31-V166 HydrophobicContact CE2-CG1 3.91Å; F31-V166 HydrophobicContact CZ-CG1 3.82Å; F31-V166 HydrophobicContact CZ-CG2 4.16Å; A87-V166 HydrophobicContact CB-CG1 4.3Å; A91-V166 HydrophobicContact CB-CG2 3.66Å; F162-V166 HydrophobicContact CD1-CG2 4.18Å; F162-V166 HydrophobicContact CD2-CG2 4.48Å; F162-V166 HydrophobicContact CE1-CG2 3.68Å; F162-V166 HydrophobicContact CE2-CG2 4Å; F162-V166 HydrophobicContact CZ-CG2 3.57Å; F162-V166 WeakPolarHBondContact O-CG2 3.48Å; F162-V166 PolarHBondContact O-N 2.86Å; L163-V166 PolarHBondContact O-N 2.8Å; K164-V166 VanDerWaalsContact C-N 3.28Å; K164-V166 PolarHBondContact O-N 3.23Å; V166-D168 VanDerWaalsContact C-N 3.28Å; V166-D168 PolarHBondContact O-N 3.28Å; V166-H169 CarbonylContact O-C 3.49Å; V166-H169 PolarHBondContact O-N 2.8Å; V166-A170 WeakPolarHBondContact O-CB 3.39Å; V166-A170 PolarHBondContact O-N 2.81Å; V166-V175 HydrophobicContact CG1-CG2 4.27Å
167	T	95.3	Very high	94.2	Very high	23 Å²	23	32.9 Å²	32.9	14%	0.141	17%	0.165	C	C	.	.	H	α-helix	trans	-63.5	-32.6	-178.7	49.9	0	0	0	0	113.3	L163 K164 H169 V175 P197 I198	L163-T167 WeakPolarHBondContact O-CG2 3.36Å; L163-T167 PolarHBondContact O-N 2.9Å; L163-T167 PolarHBondContact O-OG1 3.01Å; K164-T167 WeakPolarHBondContact CA-OG1 3.46Å; K164-T167 PolarHBondContact O-N 3.18Å; K164-T167 PolarHBondContact O-OG1 2.84Å; T167-H169 PolarHBondContact O-N 3.45Å; T167-V175 HydrophobicContact CG2-CB 4.29Å; T167-V175 HydrophobicContact CG2-CG2 3.94Å; T167-P197 HydrophobicContact CG2-CG 4.07Å; T167-I198 HydrophobicContact CG2-CG2 3.41Å; T167-I198 VanDerWaalsContact CG2-CG2 3.41Å
168	D	93.6	Very high	94.3	Very high	91 Å²	91	32.9 Å²	32.9	49%	0.487	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-14.8	176.6	-70	-6.6	0	0	0	112.7	K164 V166	K164-D168 WeakPolarHBondContact CE-OD2 3.48Å; K164-D168 IonicContact NZ-OD2 3.1Å; K164-D168 PolarHBondContact NZ-OD2 2.82Å; K164-D168 PolarHBondContact O-N 3.41Å; V166-D168 VanDerWaalsContact C-N 3.28Å; V166-D168 PolarHBondContact O-N 3.28Å
169	H	90.3	Very high	94.3	Very high	53 Å²	53	32.9 Å²	32.9	25%	0.245	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.6	13.9	-175.9	-61.5	-37.7	0	0	0	113.3	A87 E165 V166 T167 D171	A87-H169 HydrophobicContact CB-CB 4.08Å; A87-H169 WeakPolarHBondContact CB-O 3.33Å; E165-H169 PolarHBondContact O-CD2 2.83Å; E165-H169 VanDerWaalsContact O-CD2 3.26Å; V166-H169 CarbonylContact O-C 3.49Å; V166-H169 PolarHBondContact O-N 2.8Å; T167-H169 PolarHBondContact O-N 3.45Å; H169-D171 PolarHBondContact O-N 3.34Å
170	A	82.9	Confident	94.3	Very high	10 Å²	10	32.9 Å²	32.9	8%	0.083	17%	0.165	C	C	.	.			trans	-77.6	-0.4	-171.6	0	0	0	0	0	114.7	V166 D172 K173 V175	V166-A170 WeakPolarHBondContact O-CB 3.39Å; V166-A170 PolarHBondContact O-N 2.81Å; A170-D172 PolarHBondContact O-N 3.2Å; A170-K173 HydrophobicContact CB-CB 4.48Å; A170-K173 VanDerWaalsContact O-CB 3.25Å; A170-K173 WeakPolarHBondContact O-CB 3.25Å; A170-K173 WeakPolarHBondContact O-CG 3.47Å; A170-K173 PolarHBondContact O-N 3.22Å; A170-V175 HydrophobicContact CB-CG2 4.47Å
171	D	76.8	Confident	94.2	Very high	125 Å²	125	33.6 Å²	33.6	67%	0.668	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	42.1	60.1	175.7	-63.1	-28.2	0	0	0	112.9	H169 K173	H169-D171 PolarHBondContact O-N 3.34Å; D171-K173 VanDerWaalsContact C-N 3.25Å; D171-K173 PolarHBondContact O-N 2.8Å
172	D	81.6	Confident	94.2	Very high	157 Å²	157	31.7 Å²	31.7	84%	0.84	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.8	-1.1	-178	-61.5	-45.3	0	0	0	117.4	A170	A170-D172 PolarHBondContact O-N 3.2Å
173	K	90.5	Very high	94.1	Very high	64 Å²	64	33.4 Å²	33.4	28%	0.278	17%	0.169	S	C	.	.	P	Polyproline II helix	trans	-72.3	143	173	-63.6	-171	174	-163.9	0	112.6	E26 E27 L29 N62 A170 D171	E26-K173 VanDerWaalsContact O-CE 3.25Å; E26-K173 WeakPolarHBondContact O-CE 3.38Å; E26-K173 PolarHBondContact O-NZ 3.45Å; E27-K173 CarbonylContact O-C 3.32Å; E27-K173 VanDerWaalsContact O-CA 3.23Å; E27-K173 WeakPolarHBondContact O-CA 3.5Å; E27-K173 WeakPolarHBondContact O-CB 3.43Å; L29-K173 HydrophobicContact CD1-CD 4.44Å; L29-K173 HydrophobicContact CD2-CD 4.04Å; L29-K173 HydrophobicContact CG-CB 4.37Å; L29-K173 HydrophobicContact CG-CD 4.01Å; N62-K173 PolarHBondContact OD1-NZ 3.42Å; A170-K173 HydrophobicContact CB-CB 4.48Å; A170-K173 VanDerWaalsContact O-CB 3.25Å; A170-K173 WeakPolarHBondContact O-CB 3.25Å; A170-K173 WeakPolarHBondContact O-CG 3.47Å; A170-K173 PolarHBondContact O-N 3.22Å; D171-K173 VanDerWaalsContact C-N 3.25Å; D171-K173 PolarHBondContact O-N 2.8Å
174	H	94.4	Very high	94.1	Very high	22 Å²	22	33.4 Å²	33.4	10%	0.102	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	135.9	173.3	-67	-80.8	0	0	0	111.5	E27 L28 L29 L613 F617 K620 F621	E27-H174 PolarHBondContact O-N 3.46Å; L28-H174 CarbonylContact C-O 3.49Å; L28-H174 VanDerWaalsContact CA-O 3.32Å; L28-H174 WeakPolarHBondContact CA-O 3.48Å; L28-H174 HydrophobicContact CD2-CB 3.69Å; L29-H174 PolarHBondContact N-O 3Å; H174-L613 HydrophobicContact CB-CD2 4.45Å; H174-F617 HydrophobicContact CB-CD2 4.3Å; H174-F617 HydrophobicContact CB-CE2 3.83Å; H174-F617 HydrophobicContact CB-CZ 4.36Å; H174-F617 AromaticContact CE1-CD1 4Å; H174-F617 AromaticContact CG-CE2 3.94Å; H174-F617 AromaticContact ND1-CD1 3.71Å; H174-F617 AromaticContact ND1-CD2 3.54Å; H174-F617 AromaticContact ND1-CE1 3.64Å; H174-F617 AromaticContact ND1-CE2 3.46Å; H174-F617 WeakPolarHBondContact ND1-CE2 3.39Å; H174-F617 AromaticContact ND1-CG 3.66Å; H174-F617 AromaticContact ND1-CZ 3.51Å; H174-K620 WeakPolarHBondContact NE2-CD 3.45Å; H174-K620 PolarHBondContact NE2-NZ 2.91Å; H174-F621 HydrophobicContact CB-CE2 4.49Å; H174-F621 AromaticContact CD2-CE2 3.85Å; H174-F621 AromaticContact CD2-CZ 3.94Å
175	V	97.1	Very high	94.1	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.012	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	124.9	-177.3	178.5	0	0	0	0	110.2	L29 F31 L163 V166 T167 A170 I198 A199	L29-V175 HydrophobicContact CB-CG2 4.46Å; L29-V175 HydrophobicContact CD1-CG2 4.43Å; F31-V175 HydrophobicContact CD2-CG1 3.65Å; F31-V175 HydrophobicContact CE2-CG1 3.83Å; L163-V175 HydrophobicContact CD2-CG1 4.36Å; V166-V175 HydrophobicContact CG1-CG2 4.27Å; T167-V175 HydrophobicContact CG2-CB 4.29Å; T167-V175 HydrophobicContact CG2-CG2 3.94Å; A170-V175 HydrophobicContact CB-CG2 4.47Å; V175-I198 HydrophobicContact CB-CB 4.41Å; V175-I198 HydrophobicContact CB-CG2 3.81Å; V175-I198 HydrophobicContact CG1-CB 4.39Å; V175-I198 HydrophobicContact CG1-CG2 3.81Å; V175-I198 WeakPolarHBondContact O-CA 3.43Å; V175-A199 PolarHBondContact O-N 2.9Å
176	V	98.2	Very high	94.1	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	124.5	170.2	-175.9	0	0	0	0	108.6	L29 L30 F31 W59 A199 I201 R609 T612 L613	L29-V176 PolarHBondContact O-N 3.48Å; L30-V176 WeakPolarHBondContact CA-O 3.29Å; L30-V176 HydrophobicContact CD1-CB 4.08Å; L30-V176 HydrophobicContact CD1-CG1 3.89Å; F31-V176 PolarHBondContact N-O 2.9Å; W59-V176 HydrophobicContact CH2-CG2 4.46Å; V176-A199 CarbonylContact C-O 3.57Å; V176-A199 WeakPolarHBondContact CA-O 3.34Å; V176-A199 HydrophobicContact CG2-CB 4.42Å; V176-I201 HydrophobicContact CG1-CD1 4.29Å; V176-R609 HydrophobicContact CG1-CG 4.49Å; V176-T612 HydrophobicContact CG1-CG2 4.43Å; V176-L613 HydrophobicContact CG2-CD1 4.24Å; V176-L613 HydrophobicContact CG2-CD2 3.64Å; V176-L613 HydrophobicContact CG2-CG 3.93Å
177	A	98.6	Very high	94.2	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	113.7	177.1	0	0	0	0	0	110.3	F31 L163 F179 I198 A199 T200 I201	F31-A177 CarbonylContact O-C 3.42Å; F31-A177 VanDerWaalsContact O-CA 3.3Å; F31-A177 WeakPolarHBondContact O-CA 3.37Å; L163-A177 HydrophobicContact CD1-CB 4.01Å; L163-A177 HydrophobicContact CD2-CB 4.48Å; A177-F179 HydrophobicContact CB-CD2 4.34Å; A177-F179 HydrophobicContact CB-CE2 3.49Å; A177-F179 VanDerWaalsContact CB-CE2 3.49Å; A177-F179 HydrophobicContact CB-CZ 3.95Å; A177-I198 HydrophobicContact CB-CD1 4.12Å; A177-A199 PolarHBondContact N-O 2.88Å; A177-T200 WeakPolarHBondContact O-CA 3.46Å; A177-I201 PolarHBondContact O-N 3.48Å
178	Q	98.8	Very high	94.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	118.3	178.9	179.9	162.7	5.5	0	0	110.1	F31 E32 V33 I201 T203 Y605	F31-Q178 PolarHBondContact O-N 2.88Å; E32-Q178 CarbonylContact C-O 3.47Å; E32-Q178 WeakPolarHBondContact CA-O 3.42Å; E32-Q178 HydrophobicContact CG-CB 4.37Å; E32-Q178 HydrophobicContact CG-CG 4.43Å; V33-Q178 PolarHBondContact N-O 2.97Å; Q178-I201 HydrophobicContact CB-CB 4.14Å; Q178-I201 HydrophobicContact CB-CD1 4.36Å; Q178-I201 HydrophobicContact CG-CB 3.97Å; Q178-I201 HydrophobicContact CG-CD1 4.47Å; Q178-I201 HydrophobicContact CG-CG2 4.07Å; Q178-T203 PolarHBondContact NE2-OG1 3.24Å; Q178-Y605 VanDerWaalsContact NE2-CD1 3.32Å
179	F	98.8	Very high	94.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	131	-175.7	-61.8	-98.6	0	0	0	110.3	V33 T159 L163 A177 A184 L188 T200 I201 F202 T203	V33-F179 HydrophobicContact CB-CD1 3.74Å; V33-F179 HydrophobicContact CB-CE1 4.1Å; V33-F179 HydrophobicContact CB-CG 4.35Å; V33-F179 HydrophobicContact CG1-CD1 3.99Å; V33-F179 HydrophobicContact CG1-CE1 4.2Å; V33-F179 HydrophobicContact CG2-CD1 3.96Å; V33-F179 HydrophobicContact CG2-CE1 3.87Å; V33-F179 HydrophobicContact CG2-CZ 4.37Å; T159-F179 HydrophobicContact CG2-CE1 3.9Å; T159-F179 HydrophobicContact CG2-CZ 4.5Å; L163-F179 HydrophobicContact CD1-CZ 3.83Å; A177-F179 HydrophobicContact CB-CD2 4.34Å; A177-F179 HydrophobicContact CB-CE2 3.49Å; A177-F179 VanDerWaalsContact CB-CE2 3.49Å; A177-F179 HydrophobicContact CB-CZ 3.95Å; F179-A184 HydrophobicContact CB-CB 4.35Å; F179-A184 HydrophobicContact CD1-CB 4.24Å; F179-A184 VanDerWaalsContact CD1-O 3.24Å; F179-A184 WeakPolarHBondContact CD1-O 3.48Å; F179-L188 HydrophobicContact CB-CD1 4.34Å; F179-L188 HydrophobicContact CD1-CB 4.16Å; F179-L188 HydrophobicContact CD2-CB 3.7Å; F179-L188 HydrophobicContact CD2-CD1 3.75Å; F179-L188 HydrophobicContact CD2-CG 3.98Å; F179-L188 HydrophobicContact CE1-CB 4.24Å; F179-L188 HydrophobicContact CE2-CB 3.77Å; F179-L188 HydrophobicContact CE2-CD1 4.36Å; F179-L188 HydrophobicContact CE2-CG 4.11Å; F179-L188 HydrophobicContact CG-CB 3.89Å; F179-L188 HydrophobicContact CG-CD1 4.24Å; F179-L188 HydrophobicContact CZ-CB 4.05Å; F179-T200 HydrophobicContact CE2-CG2 4.33Å; F179-I201 PolarHBondContact N-O 2.87Å; F179-F202 HydrophobicContact CB-CD2 4.17Å; F179-F202 WeakPolarHBondContact O-CA 3.49Å; F179-T203 PolarHBondContact O-N 3.19Å
180	H	98.6	Very high	95	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	124.2	176.6	-66.5	-78.9	0	0	0	111.4	E32 V33 A34 I44 A184 H205	E32-H180 WeakPolarHBondContact CG-NE2 3.24Å; E32-H180 IonicContact OE1-NE2 3.03Å; E32-H180 PolarHBondContact OE1-NE2 3.05Å; V33-H180 PolarHBondContact O-N 3.06Å; A34-H180 HydrophobicContact CB-CB 3.9Å; I44-H180 HydrophobicContact CG2-CB 4.2Å; H180-A184 WeakPolarHBondContact O-CB 3.28Å; H180-H205 AromaticContact CG-NE2 3.91Å; H180-H205 AromaticContact ND1-NE2 3.21Å; H180-H205 PolarHBondContact ND1-NE2 2.81Å
181	E	97.8	Very high	95.7	Very high	15 Å²	15	20.8 Å²	20.8	7%	0.07	11%	0.105	C	C	.	.	H	α-helix	trans	61.5	163.8	179.6	-78	-59.2	155.2	0	0	116.8	I44 Q183 A184 G185 F202 T203 T204 H205 A206	I44-E181 HydrophobicContact CD1-CB 4.08Å; I44-E181 HydrophobicContact CD1-CG 3.31Å; E181-Q183 VanDerWaalsContact CB-OE1 3.23Å; E181-Q183 PolarHBondContact O-N 3.16Å; E181-Q183 VanDerWaalsContact O-N 3.13Å; E181-A184 PolarHBondContact O-N 3.17Å; E181-A184 VanDerWaalsContact O-N 3.08Å; E181-G185 PolarHBondContact O-N 3.5Å; E181-G185 VanDerWaalsContact O-N 3.14Å; E181-F202 WeakPolarHBondContact O-CE2 3.36Å; E181-T203 PolarHBondContact N-O 3.35Å; E181-T204 PolarHBondContact OE1-OG1 2.57Å; E181-H205 HydrophobicContact CG-CB 4.48Å; E181-H205 VanDerWaalsContact OE1-CA 3.31Å; E181-H205 WeakPolarHBondContact OE1-CA 3.49Å; E181-H205 WeakPolarHBondContact OE1-CB 3.45Å; E181-H205 PolarHBondContact OE1-N 2.99Å; E181-A206 PolarHBondContact OE1-N 3.48Å
182	W	96.8	Very high	96.7	Very high	10 Å²	10	19.3 Å²	19.3	4%	0.038	9%	0.09	C	C	.	.	H	α-helix	trans	-57.7	-27.7	-178.3	73.3	-87.8	0	0	0	113.2	E148 M152 A184 G185 R241 M244 E245	E148-W182 HydrophobicContact CG-CH2 4.17Å; M152-W182 HydrophobicContact CB-CZ3 4.45Å; M152-W182 HydrophobicContact CG-CH2 4.1Å; M152-W182 HydrophobicContact CG-CZ3 3.82Å; W182-A184 VanDerWaalsContact C-N 3.31Å; W182-A184 PolarHBondContact O-N 3.27Å; W182-G185 PolarHBondContact O-N 2.88Å; W182-G185 VanDerWaalsContact O-N 3.12Å; W182-R241 HydrophobicContact CE3-CB 4.41Å; W182-R241 HydrophobicContact CH2-CB 4.43Å; W182-R241 HydrophobicContact CH2-CG 4Å; W182-R241 HydrophobicContact CZ3-CB 4.26Å; W182-R241 HydrophobicContact CZ3-CG 4.05Å; W182-M244 HydrophobicContact CE3-SD 4.19Å; W182-M244 HydrophobicContact CZ3-SD 4.16Å; W182-E245 HydrophobicContact CB-CB 3.71Å; W182-E245 HydrophobicContact CB-CG 4.15Å
183	Q	97.2	Very high	97.4	Very high	36 Å²	36	14.2 Å²	14.2	17%	0.168	7%	0.07	C	C	.	.	H	α-helix	trans	-59	-38.4	175.4	-72.3	102	-30.7	0	0	113.4	W35 M152 E181	W35-Q183 HydrophobicContact CB-CB 3.85Å; W35-Q183 HydrophobicContact CB-CG 4.41Å; W35-Q183 HydrophobicContact CG-CB 4.4Å; M152-Q183 HydrophobicContact CE-CG 4.42Å; M152-Q183 HydrophobicContact CG-CB 4.09Å; M152-Q183 HydrophobicContact CG-CG 4.02Å; M152-Q183 HydrophobicContact SD-CB 3.33Å; M152-Q183 WeakPolarHBondContact SD-CB 3.44Å; M152-Q183 HydrophobicContact SD-CG 3.43Å; M152-Q183 WeakPolarHBondContact SD-CG 3.29Å; E181-Q183 VanDerWaalsContact CB-OE1 3.23Å; E181-Q183 PolarHBondContact O-N 3.16Å; E181-Q183 VanDerWaalsContact O-N 3.13Å
184	A	97.7	Very high	97.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-89.9	-16.1	175.1	0	0	0	0	0	112.5	V33 F155 F179 H180 E181 W182 I186 G187	V33-A184 HydrophobicContact CB-CB 4.45Å; V33-A184 HydrophobicContact CG1-CB 3.99Å; F155-A184 HydrophobicContact CE1-CB 4.21Å; F179-A184 HydrophobicContact CB-CB 4.35Å; F179-A184 HydrophobicContact CD1-CB 4.24Å; F179-A184 VanDerWaalsContact CD1-O 3.24Å; F179-A184 WeakPolarHBondContact CD1-O 3.48Å; H180-A184 WeakPolarHBondContact O-CB 3.28Å; E181-A184 PolarHBondContact O-N 3.17Å; E181-A184 VanDerWaalsContact O-N 3.08Å; W182-A184 VanDerWaalsContact C-N 3.31Å; W182-A184 PolarHBondContact O-N 3.27Å; A184-I186 VanDerWaalsContact C-N 3.29Å; A184-I186 PolarHBondContact O-N 2.96Å; A184-G187 PolarHBondContact O-N 3.2Å; A184-G187 VanDerWaalsContact O-N 3.15Å
185	G	97.3	Very high	97.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-61	-27.7	-170.7	0	0	0	0	0	115.6	E181 W182 G187 L188 I189 S248	E181-G185 PolarHBondContact O-N 3.5Å; E181-G185 VanDerWaalsContact O-N 3.14Å; W182-G185 PolarHBondContact O-N 2.88Å; W182-G185 VanDerWaalsContact O-N 3.12Å; G185-G187 PolarHBondContact O-N 3.37Å; G185-L188 VanDerWaalsContact O-CB 3.29Å; G185-L188 WeakPolarHBondContact O-CB 3.49Å; G185-L188 PolarHBondContact O-N 3.01Å; G185-I189 WeakPolarHBondContact O-CG1 3.24Å; G185-I189 PolarHBondContact O-N 2.64Å; G185-S248 VanDerWaalsContact C-OG 3.24Å; G185-S248 WeakPolarHBondContact CA-OG 3.33Å; G185-S248 PolarHBondContact O-OG 2.95Å
186	I	97.9	Very high	97.8	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-60.7	-36.2	177	-64.9	172.9	0	0	0	111.7	L134 M152 L153 A184 L188 I189 L190 M244	L134-I186 HydrophobicContact CD1-CG2 4.28Å; M152-I186 HydrophobicContact CB-CD1 4.02Å; L153-I186 HydrophobicContact CB-CD1 4.08Å; L153-I186 HydrophobicContact CD1-CG2 3.89Å; A184-I186 VanDerWaalsContact C-N 3.29Å; A184-I186 PolarHBondContact O-N 2.96Å; I186-L188 VanDerWaalsContact C-N 3.28Å; I186-L188 PolarHBondContact O-N 3.5Å; I186-I189 PolarHBondContact O-N 3.47Å; I186-L190 HydrophobicContact CG2-CD1 3.9Å; I186-L190 HydrophobicContact CG2-CG 4.19Å; I186-L190 WeakPolarHBondContact O-CG 3.32Å; I186-L190 PolarHBondContact O-N 3.28Å; I186-M244 HydrophobicContact CD1-CE 4.46Å; I186-M244 HydrophobicContact CD1-CG 4.39Å; I186-M244 HydrophobicContact CD1-SD 3.82Å; I186-M244 HydrophobicContact CG1-CG 4.34Å; I186-M244 HydrophobicContact CG1-SD 4.34Å
187	G	98.1	Very high	97.6	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-59.7	-42.2	175.2	0	0	0	0	0	111.7	G156 A184 G185 S191	G156-G187 VanDerWaalsContact O-CA 3.23Å; G156-G187 WeakPolarHBondContact O-CA 3.36Å; A184-G187 PolarHBondContact O-N 3.2Å; A184-G187 VanDerWaalsContact O-N 3.15Å; G185-G187 PolarHBondContact O-N 3.37Å; G187-S191 WeakPolarHBondContact O-CB 3.38Å; G187-S191 PolarHBondContact O-N 3.4Å; G187-S191 PolarHBondContact O-OG 2.87Å
188	L	98.4	Very high	97.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62.4	-49	175.6	-172.4	164.9	0	0	0	111.7	F179 G185 I186 L190 S191 R192 T200 F202 C251 A252	F179-L188 HydrophobicContact CB-CD1 4.34Å; F179-L188 HydrophobicContact CD1-CB 4.16Å; F179-L188 HydrophobicContact CD2-CB 3.7Å; F179-L188 HydrophobicContact CD2-CD1 3.75Å; F179-L188 HydrophobicContact CD2-CG 3.98Å; F179-L188 HydrophobicContact CE1-CB 4.24Å; F179-L188 HydrophobicContact CE2-CB 3.77Å; F179-L188 HydrophobicContact CE2-CD1 4.36Å; F179-L188 HydrophobicContact CE2-CG 4.11Å; F179-L188 HydrophobicContact CG-CB 3.89Å; F179-L188 HydrophobicContact CG-CD1 4.24Å; F179-L188 HydrophobicContact CZ-CB 4.05Å; G185-L188 VanDerWaalsContact O-CB 3.29Å; G185-L188 WeakPolarHBondContact O-CB 3.49Å; G185-L188 PolarHBondContact O-N 3.01Å; I186-L188 VanDerWaalsContact C-N 3.28Å; I186-L188 PolarHBondContact O-N 3.5Å; L188-L190 VanDerWaalsContact C-N 3.35Å; L188-L190 PolarHBondContact O-N 2.85Å; L188-S191 PolarHBondContact O-N 3.25Å; L188-R192 HydrophobicContact CD2-CG 4.04Å; L188-R192 WeakPolarHBondContact O-CG 3.28Å; L188-R192 PolarHBondContact O-N 3.41Å; L188-T200 HydrophobicContact CG-CG2 4.44Å; L188-F202 HydrophobicContact CD1-CB 3.71Å; L188-F202 HydrophobicContact CD1-CD2 4.16Å; L188-F202 HydrophobicContact CD1-CG 4.36Å; L188-C251 HydrophobicContact CD2-CB 3.32Å; L188-A252 HydrophobicContact CD1-CB 3.92Å
189	I	98.4	Very high	97.5	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.01	14%	0.139	C	C	.	.	H	α-helix	trans	-56	-51.4	-179.9	-64.1	167.2	0	0	0	110	L134 A137 C138 G185 I186 R192 A193 A247	L134-I189 HydrophobicContact CD1-CG2 4.42Å; A137-I189 HydrophobicContact CB-CG2 4.48Å; C138-I189 HydrophobicContact CB-CG2 4.15Å; G185-I189 WeakPolarHBondContact O-CG1 3.24Å; G185-I189 PolarHBondContact O-N 2.64Å; I186-I189 PolarHBondContact O-N 3.47Å; I189-R192 PolarHBondContact O-N 2.94Å; I189-A193 WeakPolarHBondContact O-CB 3.34Å; I189-A193 PolarHBondContact O-N 3.4Å; I189-A247 HydrophobicContact CD1-CB 3.54Å; I189-A247 HydrophobicContact CG1-CB 4.07Å
190	L	98.3	Very high	97.5	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.01	14%	0.139	C	C	.	.	H	α-helix	trans	-66.7	-39.8	-178.4	-67	177.4	0	0	0	112.1	D133 A137 S157 A160 I186 L188 R192 A193 R194	D133-L190 HydrophobicContact CB-CD2 4.46Å; A137-L190 HydrophobicContact CB-CD2 4.13Å; S157-L190 WeakPolarHBondContact OG-CD1 3.3Å; A160-L190 HydrophobicContact CB-CB 3.73Å; I186-L190 HydrophobicContact CG2-CD1 3.9Å; I186-L190 HydrophobicContact CG2-CG 4.19Å; I186-L190 WeakPolarHBondContact O-CG 3.32Å; I186-L190 PolarHBondContact O-N 3.28Å; L188-L190 VanDerWaalsContact C-N 3.35Å; L188-L190 PolarHBondContact O-N 2.85Å; L190-R192 VanDerWaalsContact C-N 3.29Å; L190-R192 PolarHBondContact O-N 3.42Å; L190-A193 PolarHBondContact O-N 3.24Å; L190-R194 WeakPolarHBondContact O-CB 3.22Å; L190-R194 VanDerWaalsContact O-CG 3.27Å; L190-R194 WeakPolarHBondContact O-CG 3.31Å; L190-R194 PolarHBondContact O-N 2.85Å
191	S	98.2	Very high	97.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-60.1	-39.7	174.7	-67.6	0	0	0	0	112.2	G187 L188 K195 L196	G187-S191 WeakPolarHBondContact O-CB 3.38Å; G187-S191 PolarHBondContact O-N 3.4Å; G187-S191 PolarHBondContact O-OG 2.87Å; L188-S191 PolarHBondContact O-N 3.25Å; S191-K195 PolarHBondContact O-N 3.45Å; S191-L196 PolarHBondContact O-N 3.04Å
192	R	97.2	Very high	97.5	Very high	94 Å²	94	27.8 Å²	27.8	36%	0.355	14%	0.135	S	C	.	.	H	α-helix	trans	-73.1	-42.5	177.5	-71.3	-65.7	-48	-102.1	10.2	112.6	L188 I189 L190 R194 K195 C251	L188-R192 HydrophobicContact CD2-CG 4.04Å; L188-R192 WeakPolarHBondContact O-CG 3.28Å; L188-R192 PolarHBondContact O-N 3.41Å; I189-R192 PolarHBondContact O-N 2.94Å; L190-R192 VanDerWaalsContact C-N 3.29Å; L190-R192 PolarHBondContact O-N 3.42Å; R192-R194 VanDerWaalsContact C-N 3.27Å; R192-R194 PolarHBondContact O-N 2.85Å; R192-K195 PolarHBondContact O-N 2.83Å; R192-C251 HydrophobicContact CB-CB 4.27Å; R192-C251 HydrophobicContact CG-CB 4.14Å; R192-C251 VanDerWaalsContact CG-O 3.28Å; R192-C251 WeakPolarHBondContact CG-O 3.48Å; R192-C251 PolarHBondContact NH1-O 2.93Å
193	A	96.9	Very high	97.6	Very high	51 Å²	51	27.3 Å²	27.3	42%	0.421	13%	0.133	S	C	.	.	H	α-helix	trans	-60.8	-38.5	176.3	0	0	0	0	0	111.8	A137 I189 L190 K195	A137-A193 HydrophobicContact CB-CB 3.61Å; I189-A193 WeakPolarHBondContact O-CB 3.34Å; I189-A193 PolarHBondContact O-N 3.4Å; L190-A193 PolarHBondContact O-N 3.24Å; A193-K195 VanDerWaalsContact C-N 3.25Å; A193-K195 PolarHBondContact O-N 2.91Å
194	R	96.7	Very high	97.7	Very high	95 Å²	95	25.6 Å²	25.6	36%	0.358	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-0.9	176.1	-66	173.8	-178.1	168.7	1.8	114	D133 L190 R192 L196	D133-R194 IonicContact OD2-NH2 3.34Å; D133-R194 PolarHBondContact OD2-NH2 3.3Å; L190-R194 WeakPolarHBondContact O-CB 3.22Å; L190-R194 VanDerWaalsContact O-CG 3.27Å; L190-R194 WeakPolarHBondContact O-CG 3.31Å; L190-R194 PolarHBondContact O-N 2.85Å; R192-R194 VanDerWaalsContact C-N 3.27Å; R192-R194 PolarHBondContact O-N 2.85Å; R194-L196 VanDerWaalsContact C-N 3.28Å; R194-L196 HydrophobicContact CB-CD2 4.18Å; R194-L196 HydrophobicContact CB-CG 4.27Å; R194-L196 PolarHBondContact O-N 3.09Å
195	K	96.5	Very high	97.6	Very high	185 Å²	185	26.4 Å²	26.4	80%	0.804	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.7	41.1	-179.1	-55.4	-179.8	-179	178.9	0	113.2	S191 R192 A193	S191-K195 PolarHBondContact O-N 3.45Å; R192-K195 PolarHBondContact O-N 2.83Å; A193-K195 VanDerWaalsContact C-N 3.25Å; A193-K195 PolarHBondContact O-N 2.91Å
196	L	96.6	Very high	97.5	Very high	24 Å²	24	27.5 Å²	27.5	13%	0.126	14%	0.138	C	C	.	.			trans	-61.7	141.7	174.6	-58.1	-173.7	0	0	0	110	L163 K164 S191 R194 I198	L163-L196 HydrophobicContact CB-CD1 4.42Å; K164-L196 HydrophobicContact CB-CD1 3.92Å; K164-L196 HydrophobicContact CB-CD2 3.73Å; K164-L196 HydrophobicContact CG-CD2 3.83Å; S191-L196 PolarHBondContact O-N 3.04Å; R194-L196 VanDerWaalsContact C-N 3.28Å; R194-L196 HydrophobicContact CB-CD2 4.18Å; R194-L196 HydrophobicContact CB-CG 4.27Å; R194-L196 PolarHBondContact O-N 3.09Å; L196-I198 HydrophobicContact CB-CD1 4.49Å; L196-I198 HydrophobicContact CB-CG1 4.12Å; L196-I198 HydrophobicContact CB-CG2 4.33Å; L196-I198 PolarHBondContact O-N 3.21Å
197	P	95.3	Very high	97.4	Very high	81 Å²	81	27.6 Å²	27.6	53%	0.526	14%	0.139	S	C	.	.	S	Bend	trans	-78.3	60.3	-178.7	34.3	-36.7	0	0	0	111	T167 F617	T167-P197 HydrophobicContact CG2-CG 4.07Å; P197-F617 WeakPolarHBondContact O-CZ 3.48Å
198	I	96.9	Very high	97.2	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.021	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	146.7	-176.8	65.5	168.2	0	0	0	110.5	L163 T167 V175 A177 L196 T200 H253	L163-I198 HydrophobicContact CD1-CD1 4.05Å; T167-I198 HydrophobicContact CG2-CG2 3.41Å; T167-I198 VanDerWaalsContact CG2-CG2 3.41Å; V175-I198 HydrophobicContact CB-CB 4.41Å; V175-I198 HydrophobicContact CB-CG2 3.81Å; V175-I198 HydrophobicContact CG1-CB 4.39Å; V175-I198 HydrophobicContact CG1-CG2 3.81Å; V175-I198 WeakPolarHBondContact O-CA 3.43Å; A177-I198 HydrophobicContact CB-CD1 4.12Å; L196-I198 HydrophobicContact CB-CD1 4.49Å; L196-I198 HydrophobicContact CB-CG1 4.12Å; L196-I198 HydrophobicContact CB-CG2 4.33Å; L196-I198 PolarHBondContact O-N 3.21Å; I198-T200 HydrophobicContact CD1-CG2 3.68Å; I198-T200 HydrophobicContact CG1-CG2 3.77Å; I198-H253 PolarHBondContact O-CE1 3.43Å
199	A	97.8	Very high	96.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	126.7	173.3	0	0	0	0	0	108.9	V175 V176 A177 T612 L613 A616 F617	V175-A199 PolarHBondContact O-N 2.9Å; V176-A199 CarbonylContact C-O 3.57Å; V176-A199 WeakPolarHBondContact CA-O 3.34Å; V176-A199 HydrophobicContact CG2-CB 4.42Å; A177-A199 PolarHBondContact N-O 2.88Å; A199-T612 VanDerWaalsContact C-CG2 3.42Å; A199-T612 HydrophobicContact CB-CG2 3.21Å; A199-L613 HydrophobicContact CB-CD2 4.2Å; A199-A616 HydrophobicContact CB-CB 3.48Å; A199-A616 VanDerWaalsContact CB-CB 3.48Å; A199-F617 HydrophobicContact CB-CE2 3.86Å
200	T	98.6	Very high	96.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	130.9	-168.5	61.6	0	0	0	0	113.8	A177 F179 L188 I198 H253 V254 T612	A177-T200 WeakPolarHBondContact O-CA 3.46Å; F179-T200 HydrophobicContact CE2-CG2 4.33Å; L188-T200 HydrophobicContact CG-CG2 4.44Å; I198-T200 HydrophobicContact CD1-CG2 3.68Å; I198-T200 HydrophobicContact CG1-CG2 3.77Å; T200-H253 PolarHBondContact N-ND1 3.33Å; T200-H253 WeakPolarHBondContact O-CB 3.42Å; T200-H253 PolarHBondContact O-N 3.4Å; T200-H253 PolarHBondContact OG1-N 3.09Å; T200-H253 PolarHBondContact OG1-ND1 2.94Å; T200-V254 PolarHBondContact O-N 3.17Å; T200-T612 PolarHBondContact O-OG1 2.91Å
201	I	98.8	Very high	96.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	137.5	172.7	-55.6	165.5	0	0	0	108.3	V176 A177 Q178 F179 V254 T256 A608 R609 T612	V176-I201 HydrophobicContact CG1-CD1 4.29Å; A177-I201 PolarHBondContact O-N 3.48Å; Q178-I201 HydrophobicContact CB-CB 4.14Å; Q178-I201 HydrophobicContact CB-CD1 4.36Å; Q178-I201 HydrophobicContact CG-CB 3.97Å; Q178-I201 HydrophobicContact CG-CD1 4.47Å; Q178-I201 HydrophobicContact CG-CG2 4.07Å; F179-I201 PolarHBondContact N-O 2.87Å; I201-V254 WeakPolarHBondContact CA-O 3.42Å; I201-V254 HydrophobicContact CG1-CB 4.42Å; I201-T256 HydrophobicContact CG2-CG2 4.1Å; I201-A608 HydrophobicContact CD1-CB 4.46Å; I201-R609 HydrophobicContact CD1-CB 4.34Å; I201-R609 HydrophobicContact CD1-CG 3.69Å; I201-T612 HydrophobicContact CD1-CG2 4.48Å; I201-T612 HydrophobicContact CG1-CG2 3.92Å; I201-T612 WeakPolarHBondContact CG1-OG1 3.41Å
202	F	98.8	Very high	95.6	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	124.4	168.2	-175.1	-104.5	0	0	0	109.9	F179 E181 L188 S248 V249 A252 V254 F255 T256	F179-F202 HydrophobicContact CB-CD2 4.17Å; F179-F202 WeakPolarHBondContact O-CA 3.49Å; E181-F202 WeakPolarHBondContact O-CE2 3.36Å; L188-F202 HydrophobicContact CD1-CB 3.71Å; L188-F202 HydrophobicContact CD1-CD2 4.16Å; L188-F202 HydrophobicContact CD1-CG 4.36Å; F202-S248 VanDerWaalsContact CE2-CB 3.45Å; F202-V249 HydrophobicContact CD1-CB 4.42Å; F202-V249 HydrophobicContact CD1-CG2 3.57Å; F202-V249 HydrophobicContact CE1-CG2 3.46Å; F202-V249 VanDerWaalsContact CE1-CG2 3.46Å; F202-A252 HydrophobicContact CB-CB 3.56Å; F202-V254 PolarHBondContact N-O 2.75Å; F202-F255 AromaticContact CD1-CD2 3.88Å; F202-F255 HydrophobicContact CD1-CD2 3.88Å; F202-F255 AromaticContact CD1-CE2 3.96Å; F202-F255 HydrophobicContact CD1-CE2 3.96Å; F202-F255 HydrophobicContact CE1-CE2 4.39Å; F202-F255 WeakPolarHBondContact O-CA 3.5Å; F202-F255 WeakPolarHBondContact O-CD2 3.4Å; F202-T256 PolarHBondContact O-N 3.32Å
203	T	98.7	Very high	95.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	117	175.9	-55.5	0	0	0	0	109.5	Q178 F179 E181 T256 V258	Q178-T203 PolarHBondContact NE2-OG1 3.24Å; F179-T203 PolarHBondContact O-N 3.19Å; E181-T203 PolarHBondContact N-O 3.35Å; T203-T256 WeakPolarHBondContact CA-O 3.33Å; T203-T256 VanDerWaalsContact CB-OG1 3.32Å; T203-T256 WeakPolarHBondContact CB-OG1 3.48Å; T203-T256 WeakPolarHBondContact CG2-OG1 3.47Å; T203-T256 PolarHBondContact OG1-OG1 3.15Å; T203-V258 HydrophobicContact CG2-CG1 4.29Å
204	T	98	Very high	94.9	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	127.7	167	-176	0	0	0	0	109.9	E181 A206 F255 T256 T257 L270	E181-T204 PolarHBondContact OE1-OG1 2.57Å; T204-A206 PolarHBondContact OG1-N 3.34Å; T204-A206 PolarHBondContact OG1-O 2.98Å; T204-F255 HydrophobicContact CG2-CE2 3.56Å; T204-F255 HydrophobicContact CG2-CZ 3.67Å; T204-T256 PolarHBondContact N-O 2.8Å; T204-T257 HydrophobicContact CG2-CG2 3.61Å; T204-T257 WeakPolarHBondContact O-CA 3.48Å; T204-L270 HydrophobicContact CG2-CD1 4.4Å
205	H	96.5	Very high	94.3	Very high	16 Å²	16	31 Å²	31	7%	0.074	16%	0.158	C	C	.	.	S	Bend	trans	-87.1	-23.3	174.6	-67.2	-101.2	0	0	0	111.4	I44 H180 E181 V258 P511	I44-H205 HydrophobicContact CG1-CB 4.43Å; H180-H205 AromaticContact CG-NE2 3.91Å; H180-H205 AromaticContact ND1-NE2 3.21Å; H180-H205 PolarHBondContact ND1-NE2 2.81Å; E181-H205 HydrophobicContact CG-CB 4.48Å; E181-H205 VanDerWaalsContact OE1-CA 3.31Å; E181-H205 WeakPolarHBondContact OE1-CA 3.49Å; E181-H205 WeakPolarHBondContact OE1-CB 3.45Å; E181-H205 PolarHBondContact OE1-N 2.99Å; H205-V258 HydrophobicContact CB-CG1 4.39Å; H205-V258 WeakPolarHBondContact ND1-CG1 3.5Å; H205-P511 WeakPolarHBondContact O-CB 3.48Å
206	A	95.1	Very high	93.5	Very high	24 Å²	24	24.7 Å²	24.7	20%	0.198	14%	0.14	C	C	.	.	S	Bend	trans	-161	146.3	173.2	0	0	0	0	0	109	E181 T204 P511	E181-A206 PolarHBondContact OE1-N 3.48Å; T204-A206 PolarHBondContact OG1-N 3.34Å; T204-A206 PolarHBondContact OG1-O 2.98Å; A206-P511 HydrophobicContact CB-CB 4.22Å; A206-P511 HydrophobicContact CB-CG 3.57Å
207	T	95.6	Very high	92.6	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.006	17%	0.166	C	C	.	.			trans	-77.8	143.6	170.4	89.5	0	0	0	0	110.4	L209 G210 R211 E245 E265 A266 L270 Y509	T207-L209 VanDerWaalsContact C-N 3.34Å; T207-L209 PolarHBondContact O-N 3.13Å; T207-G210 PolarHBondContact O-N 2.9Å; T207-G210 PolarHBondContact OG1-N 3.22Å; T207-R211 PolarHBondContact O-N 2.82Å; T207-E245 WeakPolarHBondContact CA-OE1 3.43Å; T207-E265 VanDerWaalsContact CB-OE1 3.26Å; T207-E265 WeakPolarHBondContact CB-OE1 3.37Å; T207-E265 HydrophobicContact CG2-CB 4.43Å; T207-E265 HydrophobicContact CG2-CG 3.71Å; T207-E265 WeakPolarHBondContact CG2-OE1 3.28Å; T207-E265 PolarHBondContact OG1-OE1 2.9Å; T207-A266 HydrophobicContact CG2-CB 4.3Å; T207-L270 HydrophobicContact CG2-CD1 3.94Å; T207-L270 HydrophobicContact CG2-CG 4.26Å; T207-Y509 PolarHBondContact O-OH 3.13Å
208	L	93.6	Very high	92	Very high	20 Å²	20	28.3 Å²	28.3	11%	0.105	16%	0.155	C	C	.	.	H	α-helix	trans	-56.3	-52.3	178.4	-172.8	67.9	0	0	0	110.1	R211 Y212 I238 R241 E245	L208-R211 PolarHBondContact O-N 3.13Å; L208-Y212 HydrophobicContact CD1-CE2 3.87Å; L208-Y212 HydrophobicContact CG-CD2 4.39Å; L208-Y212 HydrophobicContact CG-CE2 4.11Å; L208-Y212 VanDerWaalsContact O-CD2 3.25Å; L208-Y212 WeakPolarHBondContact O-CD2 3.49Å; L208-Y212 PolarHBondContact O-N 3.34Å; L208-I238 HydrophobicContact CD2-CB 4.26Å; L208-I238 HydrophobicContact CD2-CD1 4.08Å; L208-I238 HydrophobicContact CG-CD1 4.18Å; L208-R241 HydrophobicContact CD2-CB 3.54Å; L208-E245 VanDerWaalsContact CB-OE2 3.31Å; L208-E245 WeakPolarHBondContact CB-OE2 3.49Å; L208-E245 PolarHBondContact N-OE1 3.41Å; L208-E245 PolarHBondContact N-OE2 3.43Å
209	L	92.3	Very high	91.6	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-67.2	-38.2	-175.8	-81.9	171.1	0	0	0	113.9	T207 R211 Y212 L213 I229 E232 A233 I238 Y242	T207-L209 VanDerWaalsContact C-N 3.34Å; T207-L209 PolarHBondContact O-N 3.13Å; L209-R211 PolarHBondContact O-N 3.26Å; L209-Y212 PolarHBondContact O-N 3.15Å; L209-Y212 VanDerWaalsContact O-N 3.11Å; L209-L213 HydrophobicContact CB-CD1 4.39Å; L209-L213 WeakPolarHBondContact O-CB 3.26Å; L209-L213 WeakPolarHBondContact O-CG 3.37Å; L209-L213 PolarHBondContact O-N 3.43Å; L209-I229 HydrophobicContact CD1-CB 4.36Å; L209-I229 HydrophobicContact CD1-CG2 3.17Å; L209-E232 HydrophobicContact CD2-CB 4.22Å; L209-A233 HydrophobicContact CD1-CB 4.2Å; L209-A233 HydrophobicContact CD2-CB 4.03Å; L209-A233 HydrophobicContact CG-CB 4.49Å; L209-I238 HydrophobicContact CD2-CD1 3.87Å; L209-Y242 HydrophobicContact CD1-CD2 3.58Å; L209-Y242 HydrophobicContact CD1-CE2 3.78Å; L209-Y242 HydrophobicContact CD1-CG 4.15Å; L209-Y242 HydrophobicContact CG-CD2 4.2Å
210	G	91.9	Very high	91.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-59.5	-39.2	178.9	0	0	0	0	0	112.4	T207 Y212 L213 C214 E265	T207-G210 PolarHBondContact O-N 2.9Å; T207-G210 PolarHBondContact OG1-N 3.22Å; G210-Y212 PolarHBondContact O-N 3.21Å; G210-L213 PolarHBondContact O-N 3.39Å; G210-C214 WeakPolarHBondContact O-CB 3.34Å; G210-C214 PolarHBondContact O-N 2.91Å; G210-C214 PolarHBondContact O-SG 2.92Å; G210-E265 VanDerWaalsContact CA-OE1 3.28Å; G210-E265 WeakPolarHBondContact CA-OE1 3.22Å
211	R	87.3	Confident	91.1	Very high	131 Å²	131	32 Å²	32	49%	0.494	17%	0.174	S	C	.	.	H	α-helix	trans	-61.5	-42.5	175.1	-176.5	177.8	159.7	-169.5	-8.6	112.5	T207 L208 L209 A215 Y509	T207-R211 PolarHBondContact O-N 2.82Å; L208-R211 PolarHBondContact O-N 3.13Å; L209-R211 PolarHBondContact O-N 3.26Å; R211-A215 WeakPolarHBondContact O-CB 3.37Å; R211-A215 PolarHBondContact O-N 2.91Å; R211-Y509 HydrophobicContact CB-CE1 3.81Å; R211-Y509 HydrophobicContact CG-CE1 4.3Å; R211-Y509 PolarHBondContact N-OH 2.86Å
212	Y	89.4	Confident	90.8	Very high	89 Å²	89	36.2 Å²	36.2	35%	0.349	20%	0.196	S	C	.	.	H	α-helix	trans	-71.9	-39.4	178.5	-79.1	-87.2	0	0	0	112.8	L208 L209 G210 A215 A216 I238	L208-Y212 HydrophobicContact CD1-CE2 3.87Å; L208-Y212 HydrophobicContact CG-CD2 4.39Å; L208-Y212 HydrophobicContact CG-CE2 4.11Å; L208-Y212 VanDerWaalsContact O-CD2 3.25Å; L208-Y212 WeakPolarHBondContact O-CD2 3.49Å; L208-Y212 PolarHBondContact O-N 3.34Å; L209-Y212 PolarHBondContact O-N 3.15Å; L209-Y212 VanDerWaalsContact O-N 3.11Å; G210-Y212 PolarHBondContact O-N 3.21Å; Y212-A215 PolarHBondContact O-N 3.02Å; Y212-A216 PolarHBondContact O-N 3.26Å; Y212-I238 HydrophobicContact CD2-CD1 3.55Å; Y212-I238 HydrophobicContact CE2-CD1 3.7Å; Y212-I238 HydrophobicContact CE2-CG2 4.3Å; Y212-I238 HydrophobicContact CG-CD1 4.09Å
213	L	90.4	Very high	90.6	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-69.2	-41.7	-178.9	-72.4	168.6	0	0	0	111.6	L209 G210 A215 A216 I218 F220 F227 E232 M269	L209-L213 HydrophobicContact CB-CD1 4.39Å; L209-L213 WeakPolarHBondContact O-CB 3.26Å; L209-L213 WeakPolarHBondContact O-CG 3.37Å; L209-L213 PolarHBondContact O-N 3.43Å; G210-L213 PolarHBondContact O-N 3.39Å; L213-A215 VanDerWaalsContact C-N 3.35Å; L213-A216 PolarHBondContact O-N 3.28Å; L213-I218 HydrophobicContact CD2-CD1 4.09Å; L213-F220 HydrophobicContact CB-CD2 3.7Å; L213-F220 HydrophobicContact CB-CE2 3.96Å; L213-F220 HydrophobicContact CD1-CD2 4Å; L213-F220 HydrophobicContact CD1-CE2 3.66Å; L213-F220 HydrophobicContact CG-CD2 4.5Å; L213-F220 HydrophobicContact CG-CE2 4.46Å; L213-F227 HydrophobicContact CD1-CD1 4.22Å; L213-F227 HydrophobicContact CD1-CD2 4.44Å; L213-F227 HydrophobicContact CD1-CE1 4.28Å; L213-F227 HydrophobicContact CD1-CE2 4.48Å; L213-F227 HydrophobicContact CD1-CG 4.3Å; L213-F227 HydrophobicContact CD1-CZ 4.41Å; L213-F227 HydrophobicContact CD2-CD1 4.19Å; L213-F227 HydrophobicContact CD2-CE1 3.89Å; L213-F227 HydrophobicContact CD2-CZ 4.48Å; L213-E232 HydrophobicContact CD2-CG 4.25Å; L213-E232 WeakPolarHBondContact CD2-OE2 3.18Å; L213-M269 HydrophobicContact CD1-SD 4.49Å
214	C	87.9	Confident	90.3	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.007	21%	0.212	C	C	.	.	H	α-helix	trans	-66.8	-37.1	175.6	-65.6	0	0	0	0	112.1	G210 A216 N217 F220 N336 Y508 Y509	G210-C214 WeakPolarHBondContact O-CB 3.34Å; G210-C214 PolarHBondContact O-N 2.91Å; G210-C214 PolarHBondContact O-SG 2.92Å; C214-A216 PolarHBondContact O-N 2.78Å; C214-N217 PolarHBondContact O-N 3.25Å; C214-N217 VanDerWaalsContact O-N 3.09Å; C214-F220 WeakPolarHBondContact SG-CD1 3.43Å; C214-F220 VanDerWaalsContact SG-CG 3.51Å; C214-N336 WeakPolarHBondContact CB-OD1 3.44Å; C214-N336 PolarHBondContact O-OD1 2.91Å; C214-Y508 HydrophobicContact CB-CD1 4.32Å; C214-Y508 HydrophobicContact CB-CE1 4.34Å; C214-Y509 HydrophobicContact CB-CD2 4.13Å; C214-Y509 HydrophobicContact CB-CG 3.92Å; C214-Y509 WeakPolarHBondContact SG-CD2 3.38Å
215	A	83.8	Confident	90	Very high	72 Å²	72	45.1 Å²	45.1	60%	0.595	24%	0.241	S	C	*	.	H	α-helix	trans	-64.9	-24.3	175.3	0	0	0	0	0	113.2	R211 Y212 L213 N217	R211-A215 WeakPolarHBondContact O-CB 3.37Å; R211-A215 PolarHBondContact O-N 2.91Å; Y212-A215 PolarHBondContact O-N 3.02Å; L213-A215 VanDerWaalsContact C-N 3.35Å; A215-N217 PolarHBondContact O-N 3.44Å
216	A	79.6	Confident	89.9	Confident	53 Å²	53	51.1 Å²	51.1	44%	0.438	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	5.8	175.4	0	0	0	0	0	113.6	Y212 L213 C214 I218	Y212-A216 PolarHBondContact O-N 3.26Å; L213-A216 PolarHBondContact O-N 3.28Å; C214-A216 PolarHBondContact O-N 2.78Å; A216-I218 HydrophobicContact CB-CD1 3.94Å; A216-I218 HydrophobicContact CB-CG1 4.03Å; A216-I218 PolarHBondContact O-N 2.99Å
217	N	77.4	Confident	89.8	Confident	122 Å²	122	51.3 Å²	51.3	65%	0.652	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	32.1	-179.7	-156.2	42	0	0	0	113.6	C214 A215	C214-N217 PolarHBondContact O-N 3.25Å; C214-N217 VanDerWaalsContact O-N 3.09Å; A215-N217 PolarHBondContact O-N 3.44Å
218	I	84.1	Confident	89.7	Confident	59 Å²	59	55.6 Å²	55.6	30%	0.303	29%	0.287	S	S	.	.			trans	-83.9	144.8	173.4	-59.5	171	0	0	0	107.9	L213 A216 F220 F227	L213-I218 HydrophobicContact CD2-CD1 4.09Å; A216-I218 HydrophobicContact CB-CD1 3.94Å; A216-I218 HydrophobicContact CB-CG1 4.03Å; A216-I218 PolarHBondContact O-N 2.99Å; I218-F220 VanDerWaalsContact C-N 3.3Å; I218-F220 PolarHBondContact O-N 3.46Å; I218-F227 HydrophobicContact CG2-CE1 4.11Å; I218-F227 HydrophobicContact CG2-CZ 3.87Å
219	D	88.9	Confident	89.8	Confident	65 Å²	65	55 Å²	55	35%	0.348	28%	0.284	S	S	.	.			trans	-67.8	90.8	168.9	-174.2	6.3	0	0	0	110	N222 H223	D219-N222 VanDerWaalsContact CG-ND2 3.3Å; D219-N222 PolarHBondContact OD1-ND2 3.5Å; D219-N222 WeakPolarHBondContact OD2-CB 3.33Å; D219-N222 PolarHBondContact OD2-ND2 3.34Å; D219-H223 WeakPolarHBondContact O-CB 3.38Å; D219-H223 PolarHBondContact O-ND1 2.98Å; D219-H223 IonicContact OD2-CE1 2.68Å
220	F	92.3	Very high	89.9	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.301	C	S	.	.			trans	-77.3	-57.5	-168	177.9	-117.7	0	0	0	112.3	L213 C214 I218 N222 H223 L224 F227 E265 M269 Y508 Y509	L213-F220 HydrophobicContact CB-CD2 3.7Å; L213-F220 HydrophobicContact CB-CE2 3.96Å; L213-F220 HydrophobicContact CD1-CD2 4Å; L213-F220 HydrophobicContact CD1-CE2 3.66Å; L213-F220 HydrophobicContact CG-CD2 4.5Å; L213-F220 HydrophobicContact CG-CE2 4.46Å; C214-F220 WeakPolarHBondContact SG-CD1 3.43Å; C214-F220 VanDerWaalsContact SG-CG 3.51Å; I218-F220 VanDerWaalsContact C-N 3.3Å; I218-F220 PolarHBondContact O-N 3.46Å; F220-N222 VanDerWaalsContact C-N 3.29Å; F220-N222 PolarHBondContact O-N 2.94Å; F220-H223 PolarHBondContact O-N 3.47Å; F220-H223 VanDerWaalsContact O-N 3.11Å; F220-L224 HydrophobicContact CD1-CD2 4.12Å; F220-L224 HydrophobicContact CD2-CD2 4.11Å; F220-L224 HydrophobicContact CE1-CD2 3.76Å; F220-L224 HydrophobicContact CE2-CD2 3.73Å; F220-L224 HydrophobicContact CG-CD2 4.3Å; F220-L224 HydrophobicContact CZ-CD2 3.55Å; F220-L224 PolarHBondContact O-N 2.9Å; F220-F227 AromaticContact CD2-CE2 3.87Å; F220-F227 HydrophobicContact CD2-CE2 3.87Å; F220-F227 HydrophobicContact CD2-CZ 4.23Å; F220-F227 HydrophobicContact CE2-CE2 4.37Å; F220-E265 HydrophobicContact CE1-CG 4.01Å; F220-E265 HydrophobicContact CZ-CG 3.79Å; F220-M269 HydrophobicContact CE2-CE 4Å; F220-M269 HydrophobicContact CZ-CE 4.41Å; F220-Y508 HydrophobicContact CB-CE1 4.22Å; F220-Y508 PolarHBondContact N-OH 3.42Å; F220-Y509 HydrophobicContact CE1-CE2 4.34Å
221	Y	93.1	Very high	90.1	Very high	18 Å²	18	63.7 Å²	63.7	7%	0.071	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-24.4	-171.2	-68.3	-74.6	0	0	0	114.1	H223 L224 I261 Y508 L531	Y221-H223 VanDerWaalsContact C-N 3.32Å; Y221-L224 HydrophobicContact CD1-CD1 4.33Å; Y221-I261 HydrophobicContact CD1-CD1 3.87Å; Y221-I261 HydrophobicContact CD1-CG1 4.28Å; Y221-I261 HydrophobicContact CE1-CD1 3.67Å; Y221-I261 HydrophobicContact CE1-CG1 3.55Å; Y221-Y508 HydrophobicContact CD2-CE1 4.44Å; Y221-Y508 HydrophobicContact CD2-CE2 4.19Å; Y221-Y508 AromaticContact CD2-CZ 3.99Å; Y221-Y508 HydrophobicContact CE2-CE1 4.48Å; Y221-Y508 VanDerWaalsContact CE2-O 3.28Å; Y221-Y508 WeakPolarHBondContact CE2-O 3.43Å; Y221-L531 HydrophobicContact CD1-CD2 4.19Å; Y221-L531 HydrophobicContact CD2-CD1 3.77Å; Y221-L531 HydrophobicContact CD2-CD2 3.61Å; Y221-L531 HydrophobicContact CD2-CG 4.24Å; Y221-L531 HydrophobicContact CE1-CD2 4.41Å; Y221-L531 HydrophobicContact CE2-CB 4.26Å; Y221-L531 HydrophobicContact CE2-CD1 3.94Å; Y221-L531 HydrophobicContact CE2-CD2 3.84Å; Y221-L531 HydrophobicContact CE2-CG 4.24Å; Y221-L531 HydrophobicContact CG-CD2 3.76Å
222	N	92.6	Very high	90.5	Very high	88 Å²	88	58.9 Å²	58.9	47%	0.471	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-7.7	176.3	-65	-37.4	0	0	0	113.5	D219 F220	D219-N222 VanDerWaalsContact CG-ND2 3.3Å; D219-N222 PolarHBondContact OD1-ND2 3.5Å; D219-N222 WeakPolarHBondContact OD2-CB 3.33Å; D219-N222 PolarHBondContact OD2-ND2 3.34Å; F220-N222 VanDerWaalsContact C-N 3.29Å; F220-N222 PolarHBondContact O-N 2.94Å
223	H	93.6	Very high	90.8	Very high	60 Å²	60	54.7 Å²	54.7	28%	0.278	29%	0.291	S	S	.	.	S	Bend	trans	-128.8	16.1	-173.3	-64.1	124.5	0	0	0	113.7	D219 F220 Y221 D225 K226 F227	D219-H223 WeakPolarHBondContact O-CB 3.38Å; D219-H223 PolarHBondContact O-ND1 2.98Å; D219-H223 IonicContact OD2-CE1 2.68Å; F220-H223 PolarHBondContact O-N 3.47Å; F220-H223 VanDerWaalsContact O-N 3.11Å; Y221-H223 VanDerWaalsContact C-N 3.32Å; H223-D225 PolarHBondContact O-N 2.92Å; H223-D225 VanDerWaalsContact O-N 3.09Å; H223-K226 HydrophobicContact CB-CB 4.43Å; H223-K226 PolarHBondContact CD2-NZ 3.28Å; H223-K226 VanDerWaalsContact CD2-NZ 3.3Å; H223-K226 PolarHBondContact O-N 2.94Å; H223-F227 HydrophobicContact CB-CE2 3.91Å; H223-F227 HydrophobicContact CB-CZ 4.17Å; H223-F227 WeakPolarHBondContact O-CD2 3.48Å; H223-F227 VanDerWaalsContact O-CE2 3.29Å; H223-F227 WeakPolarHBondContact O-CE2 3.31Å
224	L	92.4	Very high	91	Very high	10 Å²	10	55.9 Å²	55.9	5%	0.052	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-35.2	-177.3	-68.1	176.5	0	0	0	113.3	F220 Y221 I264 H268 M269	F220-L224 HydrophobicContact CD1-CD2 4.12Å; F220-L224 HydrophobicContact CD2-CD2 4.11Å; F220-L224 HydrophobicContact CE1-CD2 3.76Å; F220-L224 HydrophobicContact CE2-CD2 3.73Å; F220-L224 HydrophobicContact CG-CD2 4.3Å; F220-L224 HydrophobicContact CZ-CD2 3.55Å; F220-L224 PolarHBondContact O-N 2.9Å; Y221-L224 HydrophobicContact CD1-CD1 4.33Å; L224-I264 HydrophobicContact CD1-CG2 3.78Å; L224-H268 HydrophobicContact CB-CB 4.02Å; L224-M269 HydrophobicContact CB-CE 4.42Å; L224-M269 HydrophobicContact CD2-CE 3.74Å
225	D	92.3	Very high	91.3	Very high	116 Å²	116	61.5 Å²	61.5	62%	0.62	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-16.1	178.8	64.8	-40.3	0	0	0	114.1	H223	H223-D225 PolarHBondContact O-N 2.92Å; H223-D225 VanDerWaalsContact O-N 3.09Å
226	K	93.6	Very high	91.8	Very high	143 Å²	143	61.2 Å²	61.2	62%	0.622	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-12.9	-174.4	-55.2	-172.1	-165.1	167.4	0	114	H223	H223-K226 HydrophobicContact CB-CB 4.43Å; H223-K226 PolarHBondContact CD2-NZ 3.28Å; H223-K226 VanDerWaalsContact CD2-NZ 3.3Å; H223-K226 PolarHBondContact O-N 2.94Å
227	F	93.1	Very high	92.5	Very high	28 Å²	28	65.9 Å²	65.9	12%	0.123	33%	0.326	C	S	.	.			trans	-73.1	132.4	-178.5	-69.8	-71.1	0	0	0	112.1	L213 I218 F220 H223 I229 E232 M269	L213-F227 HydrophobicContact CD1-CD1 4.22Å; L213-F227 HydrophobicContact CD1-CD2 4.44Å; L213-F227 HydrophobicContact CD1-CE1 4.28Å; L213-F227 HydrophobicContact CD1-CE2 4.48Å; L213-F227 HydrophobicContact CD1-CG 4.3Å; L213-F227 HydrophobicContact CD1-CZ 4.41Å; L213-F227 HydrophobicContact CD2-CD1 4.19Å; L213-F227 HydrophobicContact CD2-CE1 3.89Å; L213-F227 HydrophobicContact CD2-CZ 4.48Å; I218-F227 HydrophobicContact CG2-CE1 4.11Å; I218-F227 HydrophobicContact CG2-CZ 3.87Å; F220-F227 AromaticContact CD2-CE2 3.87Å; F220-F227 HydrophobicContact CD2-CE2 3.87Å; F220-F227 HydrophobicContact CD2-CZ 4.23Å; F220-F227 HydrophobicContact CE2-CE2 4.37Å; H223-F227 HydrophobicContact CB-CE2 3.91Å; H223-F227 HydrophobicContact CB-CZ 4.17Å; H223-F227 WeakPolarHBondContact O-CD2 3.48Å; H223-F227 VanDerWaalsContact O-CE2 3.29Å; H223-F227 WeakPolarHBondContact O-CE2 3.31Å; F227-I229 PolarHBondContact O-N 3.37Å; F227-E232 HydrophobicContact CD1-CG 4.14Å; F227-M269 HydrophobicContact CB-CE 4.35Å; F227-M269 HydrophobicContact CD2-CE 3.8Å; F227-M269 HydrophobicContact CG-CE 4.42Å
228	N	94.9	Very high	93.4	Very high	91 Å²	91	60.4 Å²	60.4	49%	0.487	30%	0.297	S	S	.	.			trans	-85.9	96.3	163.7	-177.1	-30.1	0	0	0	108.8	D230 K231 E232	N228-D230 PolarHBondContact O-N 3.17Å; N228-D230 PolarHBondContact OD1-N 3.48Å; N228-K231 HydrophobicContact CB-CB 3.98Å; N228-K231 WeakPolarHBondContact O-CB 3.31Å; N228-K231 PolarHBondContact O-N 3.16Å; N228-K231 VanDerWaalsContact O-N 3.17Å; N228-K231 PolarHBondContact OD1-N 2.78Å; N228-K231 VanDerWaalsContact OD1-N 3.16Å; N228-E232 WeakPolarHBondContact O-CG 3.44Å; N228-E232 PolarHBondContact O-N 2.96Å
229	I	94.9	Very high	94	Very high	8 Å²	8	62.7 Å²	62.7	4%	0.041	30%	0.303	C	S	.	.	H	α-helix	trans	-65.2	-39.2	-165.7	-58.6	157.4	0	0	0	112	L209 F227 E232 A233 Y242 H268 M269 K271	L209-I229 HydrophobicContact CD1-CB 4.36Å; L209-I229 HydrophobicContact CD1-CG2 3.17Å; F227-I229 PolarHBondContact O-N 3.37Å; I229-E232 PolarHBondContact O-N 3.11Å; I229-A233 WeakPolarHBondContact O-CB 3.29Å; I229-A233 PolarHBondContact O-N 3.33Å; I229-Y242 HydrophobicContact CG2-CD2 4.26Å; I229-Y242 HydrophobicContact CG2-CE1 3.95Å; I229-Y242 HydrophobicContact CG2-CE2 3.41Å; I229-Y242 VanDerWaalsContact CG2-CE2 3.41Å; I229-Y242 WeakPolarHBondContact CG2-OH 3.27Å; I229-H268 WeakPolarHBondContact CD1-O 3.27Å; I229-M269 HydrophobicContact CD1-SD 4.44Å; I229-M269 HydrophobicContact CG1-SD 4.05Å; I229-K271 HydrophobicContact CD1-CD 4.38Å
230	D	94.7	Very high	94.4	Very high	67 Å²	67	60.5 Å²	60.5	36%	0.358	29%	0.29	S	S	.	.	H	α-helix	trans	-65.5	-41.7	177.7	-60	-50.8	0	0	0	111	N228 G234 Y239	N228-D230 PolarHBondContact O-N 3.17Å; N228-D230 PolarHBondContact OD1-N 3.48Å; D230-G234 PolarHBondContact O-N 3.06Å; D230-Y239 HydrophobicContact CB-CE2 3.82Å
231	K	96.1	Very high	94.6	Very high	115 Å²	115	62 Å²	62	50%	0.5	30%	0.296	S	S	.	.	H	α-helix	trans	-63.6	-49.1	174.3	-177.6	-177	171.3	-173.3	0	111.4	N228 A233 G234 E235	N228-K231 HydrophobicContact CB-CB 3.98Å; N228-K231 WeakPolarHBondContact O-CB 3.31Å; N228-K231 PolarHBondContact O-N 3.16Å; N228-K231 VanDerWaalsContact O-N 3.17Å; N228-K231 PolarHBondContact OD1-N 2.78Å; N228-K231 VanDerWaalsContact OD1-N 3.16Å; K231-A233 VanDerWaalsContact C-N 3.29Å; K231-A233 PolarHBondContact O-N 3.32Å; K231-G234 PolarHBondContact O-N 3.13Å; K231-E235 WeakPolarHBondContact CE-OE1 3.29Å; K231-E235 HydrophobicContact CG-CG 4.3Å; K231-E235 IonicContact NZ-OE1 3.58Å; K231-E235 WeakPolarHBondContact O-CG 3.47Å; K231-E235 PolarHBondContact O-N 2.92Å
232	E	94.9	Very high	94.8	Very high	31 Å²	31	61.2 Å²	61.2	15%	0.145	29%	0.293	C	S	.	.	H	α-helix	trans	-60.3	-38.9	-179.3	-67.3	-61.3	152.4	0	0	112	L209 L213 F227 N228 I229 R236	L209-E232 HydrophobicContact CD2-CB 4.22Å; L213-E232 HydrophobicContact CD2-CG 4.25Å; L213-E232 WeakPolarHBondContact CD2-OE2 3.18Å; F227-E232 HydrophobicContact CD1-CG 4.14Å; N228-E232 WeakPolarHBondContact O-CG 3.44Å; N228-E232 PolarHBondContact O-N 2.96Å; I229-E232 PolarHBondContact O-N 3.11Å; E232-R236 PolarHBondContact O-N 3.45Å; E232-R236 PolarHBondContact O-NH1 2.81Å; E232-R236 IonicContact OE2-CZ 3.79Å; E232-R236 VanDerWaalsContact OE2-CZ 3.24Å; E232-R236 IonicContact OE2-NH1 3.8Å; E232-R236 PolarHBondContact OE2-NH1 3.14Å; E232-R236 IonicContact OE2-NH2 2.97Å; E232-R236 PolarHBondContact OE2-NH2 2.77Å
233	A	95.4	Very high	95	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-72.3	-38.7	176	0	0	0	0	0	112.7	L209 I229 K231 R236 Q237 I238 Y239 Y242	L209-A233 HydrophobicContact CD1-CB 4.2Å; L209-A233 HydrophobicContact CD2-CB 4.03Å; L209-A233 HydrophobicContact CG-CB 4.49Å; I229-A233 WeakPolarHBondContact O-CB 3.29Å; I229-A233 PolarHBondContact O-N 3.33Å; K231-A233 VanDerWaalsContact C-N 3.29Å; K231-A233 PolarHBondContact O-N 3.32Å; A233-R236 PolarHBondContact O-N 3.13Å; A233-Q237 PolarHBondContact O-N 3.49Å; A233-I238 HydrophobicContact CB-CG1 4.26Å; A233-I238 WeakPolarHBondContact O-CG1 3.37Å; A233-I238 PolarHBondContact O-N 3.46Å; A233-Y239 HydrophobicContact CB-CD2 4.09Å; A233-Y239 PolarHBondContact O-N 2.9Å; A233-Y242 HydrophobicContact CB-CD1 4.13Å; A233-Y242 HydrophobicContact CB-CG 4.07Å
234	G	95.4	Very high	95.2	Very high	26 Å²	26	55.2 Å²	55.2	27%	0.268	26%	0.264	S	S	.	.	H	α-helix	trans	-64.2	-47.9	176.6	0	0	0	0	0	112.9	D230 K231 R236 Q237	D230-G234 PolarHBondContact O-N 3.06Å; K231-G234 PolarHBondContact O-N 3.13Å; G234-R236 PolarHBondContact O-N 2.96Å; G234-Q237 PolarHBondContact O-N 2.89Å; G234-Q237 PolarHBondContact O-NE2 3.38Å
235	E	94.8	Very high	95.5	Very high	120 Å²	120	54.8 Å²	54.8	56%	0.561	26%	0.262	S	S	*	.	H	α-helix	trans	-61.4	-28.7	178.8	-73.1	-178.7	165.6	0	0	112.5	K231	K231-E235 WeakPolarHBondContact CE-OE1 3.29Å; K231-E235 HydrophobicContact CG-CG 4.3Å; K231-E235 IonicContact NZ-OE1 3.58Å; K231-E235 WeakPolarHBondContact O-CG 3.47Å; K231-E235 PolarHBondContact O-N 2.92Å
236	R	93.6	Very high	95.8	Very high	66 Å²	66	52.9 Å²	52.9	25%	0.249	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	2.9	177.6	-71.5	171.3	-174.1	72.3	-3.1	114.2	E232 A233 G234 I238	E232-R236 PolarHBondContact O-N 3.45Å; E232-R236 PolarHBondContact O-NH1 2.81Å; E232-R236 IonicContact OE2-CZ 3.79Å; E232-R236 VanDerWaalsContact OE2-CZ 3.24Å; E232-R236 IonicContact OE2-NH1 3.8Å; E232-R236 PolarHBondContact OE2-NH1 3.14Å; E232-R236 IonicContact OE2-NH2 2.97Å; E232-R236 PolarHBondContact OE2-NH2 2.77Å; A233-R236 PolarHBondContact O-N 3.13Å; G234-R236 PolarHBondContact O-N 2.96Å; R236-I238 HydrophobicContact CB-CD1 4.18Å; R236-I238 HydrophobicContact CB-CG1 3.9Å; R236-I238 PolarHBondContact O-N 3Å
237	Q	94.5	Very high	96	Very high	150 Å²	150	47 Å²	47	70%	0.701	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	58	32.8	-179.3	-56.7	-65.9	-65.6	0	0	113.5	A233 G234	A233-Q237 PolarHBondContact O-N 3.49Å; G234-Q237 PolarHBondContact O-N 2.89Å; G234-Q237 PolarHBondContact O-NE2 3.38Å
238	I	95.7	Very high	96.2	Very high	7 Å²	7	45.7 Å²	45.7	4%	0.036	22%	0.218	C	C	.	.			trans	-119.9	12.8	178.3	59.1	169.6	0	0	0	112.4	L208 L209 Y212 A233 R236 H240 R241 Y242	L208-I238 HydrophobicContact CD2-CB 4.26Å; L208-I238 HydrophobicContact CD2-CD1 4.08Å; L208-I238 HydrophobicContact CG-CD1 4.18Å; L209-I238 HydrophobicContact CD2-CD1 3.87Å; Y212-I238 HydrophobicContact CD2-CD1 3.55Å; Y212-I238 HydrophobicContact CE2-CD1 3.7Å; Y212-I238 HydrophobicContact CE2-CG2 4.3Å; Y212-I238 HydrophobicContact CG-CD1 4.09Å; A233-I238 HydrophobicContact CB-CG1 4.26Å; A233-I238 WeakPolarHBondContact O-CG1 3.37Å; A233-I238 PolarHBondContact O-N 3.46Å; R236-I238 HydrophobicContact CB-CD1 4.18Å; R236-I238 HydrophobicContact CB-CG1 3.9Å; R236-I238 PolarHBondContact O-N 3Å; I238-H240 VanDerWaalsContact C-N 3.33Å; I238-H240 PolarHBondContact O-N 3.09Å; I238-R241 PolarHBondContact O-N 2.98Å; I238-R241 VanDerWaalsContact O-N 3.1Å; I238-Y242 PolarHBondContact O-N 3.1Å
239	Y	97.2	Very high	96.4	Very high	108 Å²	108	41.3 Å²	41.3	42%	0.424	20%	0.195	S	C	.	.	H	α-helix	trans	-54.4	-45	-174.9	-174.7	-102.3	0	0	0	112.9	D230 A233 R241 Y242 C243	D230-Y239 HydrophobicContact CB-CE2 3.82Å; A233-Y239 HydrophobicContact CB-CD2 4.09Å; A233-Y239 PolarHBondContact O-N 2.9Å; Y239-R241 PolarHBondContact O-N 2.72Å; Y239-Y242 WeakPolarHBondContact O-CB 2.83Å; Y239-Y242 PolarHBondContact O-N 3.11Å; Y239-C243 WeakPolarHBondContact CE1-SG 3.21Å; Y239-C243 PolarHBondContact O-N 3.49Å; Y239-C243 PolarHBondContact O-SG 2.87Å
240	H	96.4	Very high	96.5	Very high	18 Å²	18	45.4 Å²	45.4	8%	0.083	21%	0.213	C	C	.	.	H	α-helix	trans	-63.8	-40.4	177.8	55.7	-69.4	0	0	0	112.8	G141 D146 I238 C243 M244	G141-H240 WeakPolarHBondContact O-CB 3.44Å; D146-H240 IonicContact OD2-CD2 2.75Å; D146-H240 IonicContact OD2-CE1 3.87Å; D146-H240 PolarHBondContact OD2-CE1 3.12Å; D146-H240 IonicContact OD2-NE2 2.64Å; D146-H240 PolarHBondContact OD2-NE2 2.56Å; I238-H240 VanDerWaalsContact C-N 3.33Å; I238-H240 PolarHBondContact O-N 3.09Å; H240-C243 PolarHBondContact O-N 2.96Å; H240-M244 HydrophobicContact CB-CE 4.4Å; H240-M244 VanDerWaalsContact O-CG 3.29Å; H240-M244 WeakPolarHBondContact O-CG 3.49Å; H240-M244 PolarHBondContact O-N 3.24Å
241	R	97.4	Very high	96.6	Very high	33 Å²	33	43.9 Å²	43.9	13%	0.125	21%	0.208	C	C	.	.	H	α-helix	trans	-66	-42.8	176.1	-58.4	-179.9	-177.4	-155.1	-5.8	111.3	D146 E148 W182 L208 I238 Y239 C243 M244 E245	D146-R241 VanDerWaalsContact CG-NH2 3.31Å; D146-R241 IonicContact OD1-CZ 3.98Å; D146-R241 IonicContact OD1-NE 2.79Å; D146-R241 IonicContact OD1-NH2 2.75Å; D146-R241 PolarHBondContact OD1-NH2 3.2Å; D146-R241 IonicContact OD2-CZ 2.67Å; D146-R241 IonicContact OD2-NE 2.75Å; D146-R241 PolarHBondContact OD2-NE 2.94Å; D146-R241 IonicContact OD2-NH2 2.76Å; D146-R241 PolarHBondContact OD2-NH2 3.39Å; E148-R241 IonicContact OE1-NH1 3.09Å; E148-R241 IonicContact OE2-CZ 3.1Å; E148-R241 IonicContact OE2-NH1 2.75Å; E148-R241 PolarHBondContact OE2-NH1 3.46Å; E148-R241 IonicContact OE2-NH2 3.85Å; E148-R241 PolarHBondContact OE2-NH2 3.29Å; W182-R241 HydrophobicContact CE3-CB 4.41Å; W182-R241 HydrophobicContact CH2-CB 4.43Å; W182-R241 HydrophobicContact CH2-CG 4Å; W182-R241 HydrophobicContact CZ3-CB 4.26Å; W182-R241 HydrophobicContact CZ3-CG 4.05Å; L208-R241 HydrophobicContact CD2-CB 3.54Å; I238-R241 PolarHBondContact O-N 2.98Å; I238-R241 VanDerWaalsContact O-N 3.1Å; Y239-R241 PolarHBondContact O-N 2.72Å; R241-C243 VanDerWaalsContact C-N 3.33Å; R241-C243 PolarHBondContact O-N 3.45Å; R241-M244 WeakPolarHBondContact O-CB 3.44Å; R241-M244 PolarHBondContact O-N 3.02Å; R241-E245 PolarHBondContact O-N 2.85Å
242	Y	97.3	Very high	96.7	Very high	1 Å²	1	38.6 Å²	38.6	0%	0.004	19%	0.185	C	C	.	.	H	α-helix	trans	-58.9	-44	172.5	165.6	-105	0	0	0	111.7	L209 I229 A233 I238 Y239 M244 E245 R246 M269 L270	L209-Y242 HydrophobicContact CD1-CD2 3.58Å; L209-Y242 HydrophobicContact CD1-CE2 3.78Å; L209-Y242 HydrophobicContact CD1-CG 4.15Å; L209-Y242 HydrophobicContact CG-CD2 4.2Å; I229-Y242 HydrophobicContact CG2-CD2 4.26Å; I229-Y242 HydrophobicContact CG2-CE1 3.95Å; I229-Y242 HydrophobicContact CG2-CE2 3.41Å; I229-Y242 VanDerWaalsContact CG2-CE2 3.41Å; I229-Y242 WeakPolarHBondContact CG2-OH 3.27Å; A233-Y242 HydrophobicContact CB-CD1 4.13Å; A233-Y242 HydrophobicContact CB-CG 4.07Å; I238-Y242 PolarHBondContact O-N 3.1Å; Y239-Y242 WeakPolarHBondContact O-CB 2.83Å; Y239-Y242 PolarHBondContact O-N 3.11Å; Y242-M244 VanDerWaalsContact C-N 3.31Å; Y242-M244 PolarHBondContact O-N 3.31Å; Y242-E245 PolarHBondContact O-N 3.4Å; Y242-R246 WeakPolarHBondContact O-CB 3.46Å; Y242-R246 PolarHBondContact O-N 3.3Å; Y242-R246 VanDerWaalsContact OH-CD 3.29Å; Y242-R246 WeakPolarHBondContact OH-CD 3.3Å; Y242-R246 PolarHBondContact OH-NH1 2.96Å; Y242-M269 WeakPolarHBondContact CE2-O 3.41Å; Y242-M269 PolarHBondContact OH-O 3.26Å; Y242-L270 HydrophobicContact CE2-CD2 4.08Å
243	C	97.6	Very high	96.9	Very high	22 Å²	22	38.8 Å²	38.8	15%	0.149	19%	0.186	C	C	.	.	H	α-helix	trans	-62.3	-39.2	177.1	-67.7	0	0	0	0	111.8	V140 Y239 H240 R241 A247	V140-C243 HydrophobicContact CB-CB 4.47Å; V140-C243 HydrophobicContact CG1-CB 3.92Å; V140-C243 HydrophobicContact CG2-CB 3.67Å; Y239-C243 WeakPolarHBondContact CE1-SG 3.21Å; Y239-C243 PolarHBondContact O-N 3.49Å; Y239-C243 PolarHBondContact O-SG 2.87Å; H240-C243 PolarHBondContact O-N 2.96Å; R241-C243 VanDerWaalsContact C-N 3.33Å; R241-C243 PolarHBondContact O-N 3.45Å; C243-A247 WeakPolarHBondContact O-CB 3.24Å; C243-A247 PolarHBondContact O-N 3.41Å
244	M	97.4	Very high	97	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-63.6	-46.2	174.6	-65.6	165	-163.7	0	0	111.9	V140 I142 A149 W182 I186 H240 R241 Y242 A247 S248	V140-M244 HydrophobicContact CG1-CE 4.28Å; V140-M244 HydrophobicContact CG1-CG 4.16Å; I142-M244 HydrophobicContact CD1-CE 3.39Å; I142-M244 HydrophobicContact CG1-CE 3.33Å; A149-M244 HydrophobicContact CB-CE 4.24Å; W182-M244 HydrophobicContact CE3-SD 4.19Å; W182-M244 HydrophobicContact CZ3-SD 4.16Å; I186-M244 HydrophobicContact CD1-CE 4.46Å; I186-M244 HydrophobicContact CD1-CG 4.39Å; I186-M244 HydrophobicContact CD1-SD 3.82Å; I186-M244 HydrophobicContact CG1-CG 4.34Å; I186-M244 HydrophobicContact CG1-SD 4.34Å; H240-M244 HydrophobicContact CB-CE 4.4Å; H240-M244 VanDerWaalsContact O-CG 3.29Å; H240-M244 WeakPolarHBondContact O-CG 3.49Å; H240-M244 PolarHBondContact O-N 3.24Å; R241-M244 WeakPolarHBondContact O-CB 3.44Å; R241-M244 PolarHBondContact O-N 3.02Å; Y242-M244 VanDerWaalsContact C-N 3.31Å; Y242-M244 PolarHBondContact O-N 3.31Å; M244-A247 PolarHBondContact O-N 3.43Å; M244-S248 WeakPolarHBondContact O-CB 3.34Å; M244-S248 PolarHBondContact O-N 2.9Å; M244-S248 PolarHBondContact O-OG 2.65Å
245	E	98.2	Very high	97.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-57.4	-52.9	176.7	-176	178.7	-129	0	0	110.6	W182 T207 L208 R241 Y242 A247 S248 V249 L270	W182-E245 HydrophobicContact CB-CB 3.71Å; W182-E245 HydrophobicContact CB-CG 4.15Å; T207-E245 WeakPolarHBondContact CA-OE1 3.43Å; L208-E245 VanDerWaalsContact CB-OE2 3.31Å; L208-E245 WeakPolarHBondContact CB-OE2 3.49Å; L208-E245 PolarHBondContact N-OE1 3.41Å; L208-E245 PolarHBondContact N-OE2 3.43Å; R241-E245 PolarHBondContact O-N 2.85Å; Y242-E245 PolarHBondContact O-N 3.4Å; E245-A247 PolarHBondContact O-N 3.09Å; E245-S248 WeakPolarHBondContact O-CB 3.35Å; E245-S248 PolarHBondContact O-N 3.44Å; E245-V249 WeakPolarHBondContact O-CG2 3.46Å; E245-V249 PolarHBondContact O-N 3.22Å; E245-L270 HydrophobicContact CG-CD1 4.16Å; E245-L270 HydrophobicContact CG-CD2 3.86Å; E245-L270 WeakPolarHBondContact OE2-CD2 3.49Å
246	R	98	Very high	97.4	Very high	77 Å²	77	31.8 Å²	31.8	29%	0.291	15%	0.147	S	C	.	.	H	α-helix	trans	-62.9	-44.7	179.1	-173.7	174.7	-178.6	-175.6	-10.4	112.3	Y242 S248 V249 H250 L270	Y242-R246 WeakPolarHBondContact O-CB 3.46Å; Y242-R246 PolarHBondContact O-N 3.3Å; Y242-R246 VanDerWaalsContact OH-CD 3.29Å; Y242-R246 WeakPolarHBondContact OH-CD 3.3Å; Y242-R246 PolarHBondContact OH-NH1 2.96Å; R246-S248 VanDerWaalsContact C-N 3.29Å; R246-S248 PolarHBondContact O-N 3.22Å; R246-V249 WeakPolarHBondContact O-CB 3.48Å; R246-V249 PolarHBondContact O-N 3.34Å; R246-H250 PolarHBondContact O-CD2 3.02Å; R246-H250 PolarHBondContact O-N 3.24Å; R246-L270 HydrophobicContact CB-CD2 4.47Å
247	A	97.9	Very high	97.6	Very high	19 Å²	19	28.7 Å²	28.7	16%	0.157	14%	0.135	C	C	.	.	H	α-helix	trans	-60.2	-41.5	177.2	0	0	0	0	0	111.1	I189 C243 M244 E245 V249 H250 C251	I189-A247 HydrophobicContact CD1-CB 3.54Å; I189-A247 HydrophobicContact CG1-CB 4.07Å; C243-A247 WeakPolarHBondContact O-CB 3.24Å; C243-A247 PolarHBondContact O-N 3.41Å; M244-A247 PolarHBondContact O-N 3.43Å; E245-A247 PolarHBondContact O-N 3.09Å; A247-V249 PolarHBondContact O-N 3.04Å; A247-H250 PolarHBondContact O-N 3.06Å; A247-C251 VanDerWaalsContact O-CB 3.24Å; A247-C251 WeakPolarHBondContact O-CB 3.43Å; A247-C251 PolarHBondContact O-N 3.09Å; A247-C251 PolarHBondContact O-SG 3.27Å
248	S	98	Very high	97.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-61.2	-44.3	176.8	-54.3	0	0	0	0	111.8	G185 F202 M244 E245 R246 C251 A252	G185-S248 VanDerWaalsContact C-OG 3.24Å; G185-S248 WeakPolarHBondContact CA-OG 3.33Å; G185-S248 PolarHBondContact O-OG 2.95Å; F202-S248 VanDerWaalsContact CE2-CB 3.45Å; M244-S248 WeakPolarHBondContact O-CB 3.34Å; M244-S248 PolarHBondContact O-N 2.9Å; M244-S248 PolarHBondContact O-OG 2.65Å; E245-S248 WeakPolarHBondContact O-CB 3.35Å; E245-S248 PolarHBondContact O-N 3.44Å; R246-S248 VanDerWaalsContact C-N 3.29Å; R246-S248 PolarHBondContact O-N 3.22Å; S248-C251 PolarHBondContact O-N 3.45Å; S248-A252 PolarHBondContact O-N 2.95Å; S248-A252 VanDerWaalsContact O-N 3.13Å
249	V	97.9	Very high	97.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-58.3	-47.7	174.5	168.8	0	0	0	0	111.7	F202 E245 R246 A247 A252 F255 L270 R272	F202-V249 HydrophobicContact CD1-CB 4.42Å; F202-V249 HydrophobicContact CD1-CG2 3.57Å; F202-V249 HydrophobicContact CE1-CG2 3.46Å; F202-V249 VanDerWaalsContact CE1-CG2 3.46Å; E245-V249 WeakPolarHBondContact O-CG2 3.46Å; E245-V249 PolarHBondContact O-N 3.22Å; R246-V249 WeakPolarHBondContact O-CB 3.48Å; R246-V249 PolarHBondContact O-N 3.34Å; A247-V249 PolarHBondContact O-N 3.04Å; V249-A252 PolarHBondContact O-N 3.4Å; V249-F255 HydrophobicContact CB-CD2 4.42Å; V249-F255 HydrophobicContact CB-CE2 4.46Å; V249-F255 HydrophobicContact CG1-CD1 3.7Å; V249-F255 HydrophobicContact CG1-CD2 4.05Å; V249-F255 HydrophobicContact CG1-CE1 3.81Å; V249-F255 HydrophobicContact CG1-CE2 4.17Å; V249-F255 HydrophobicContact CG1-CG 3.84Å; V249-F255 HydrophobicContact CG1-CZ 4.06Å; V249-F255 HydrophobicContact CG2-CD2 3.95Å; V249-F255 HydrophobicContact CG2-CE1 4.47Å; V249-F255 HydrophobicContact CG2-CE2 3.59Å; V249-F255 HydrophobicContact CG2-CZ 3.89Å; V249-L270 HydrophobicContact CG1-CB 4.34Å; V249-L270 HydrophobicContact CG2-CB 4.31Å; V249-L270 HydrophobicContact CG2-CD1 3.74Å; V249-R272 HydrophobicContact CG1-CB 3.61Å; V249-R272 HydrophobicContact CG1-CG 4.13Å; V249-R272 WeakPolarHBondContact O-CD 3.38Å; V249-R272 PolarHBondContact O-NH1 3.02Å
250	H	98	Very high	97.5	Very high	93 Å²	93	20.4 Å²	20.4	43%	0.431	10%	0.1	S	C	.	.	H	α-helix	trans	-75.9	-27.2	-177	-78.6	-92.4	0	0	0	113.1	R246 A247 L270 K271	R246-H250 PolarHBondContact O-CD2 3.02Å; R246-H250 PolarHBondContact O-N 3.24Å; A247-H250 PolarHBondContact O-N 3.06Å; H250-L270 PolarHBondContact NE2-O 3.44Å; H250-K271 PolarHBondContact CE1-O 3.15Å; H250-K271 VanDerWaalsContact CE1-O 3.28Å
251	C	97.3	Very high	97.4	Very high	35 Å²	35	19.6 Å²	19.6	24%	0.236	10%	0.096	C	C	.	.	H	α-helix	trans	-79.7	-15.1	175.4	-70.8	0	0	0	0	113.2	L188 R192 A247 S248	L188-C251 HydrophobicContact CD2-CB 3.32Å; R192-C251 HydrophobicContact CB-CB 4.27Å; R192-C251 HydrophobicContact CG-CB 4.14Å; R192-C251 VanDerWaalsContact CG-O 3.28Å; R192-C251 WeakPolarHBondContact CG-O 3.48Å; R192-C251 PolarHBondContact NH1-O 2.93Å; A247-C251 VanDerWaalsContact O-CB 3.24Å; A247-C251 WeakPolarHBondContact O-CB 3.43Å; A247-C251 PolarHBondContact O-N 3.09Å; A247-C251 PolarHBondContact O-SG 3.27Å; S248-C251 PolarHBondContact O-N 3.45Å
252	A	98.3	Very high	97.3	Very high	4 Å²	4	18 Å²	18	3%	0.033	9%	0.09	C	C	.	.			trans	-72.7	143.1	-177.8	0	0	0	0	0	112.3	L188 F202 S248 V249 V254 R272	L188-A252 HydrophobicContact CD1-CB 3.92Å; F202-A252 HydrophobicContact CB-CB 3.56Å; S248-A252 PolarHBondContact O-N 2.95Å; S248-A252 VanDerWaalsContact O-N 3.13Å; V249-A252 PolarHBondContact O-N 3.4Å; A252-V254 WeakPolarHBondContact CB-O 3.37Å; A252-R272 PolarHBondContact O-NH1 2.87Å; A252-R272 PolarHBondContact O-NH2 2.98Å
253	H	98.3	Very high	97.3	Very high	35 Å²	35	18.2 Å²	18.2	16%	0.162	9%	0.093	C	C	.	.	S	Bend	trans	-66.3	-43.5	168.9	-64.8	97	0	0	0	110.2	I198 T200 R272 R615	I198-H253 PolarHBondContact O-CE1 3.43Å; T200-H253 PolarHBondContact N-ND1 3.33Å; T200-H253 WeakPolarHBondContact O-CB 3.42Å; T200-H253 PolarHBondContact O-N 3.4Å; T200-H253 PolarHBondContact OG1-N 3.09Å; T200-H253 PolarHBondContact OG1-ND1 2.94Å; H253-R272 PolarHBondContact O-NH2 3.39Å; H253-R615 HydrophobicContact CB-CB 4.36Å; H253-R615 WeakPolarHBondContact O-CD 3.15Å; H253-R615 PolarHBondContact O-NH1 2.97Å
254	V	98.4	Very high	97.2	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	131.3	171.9	172.5	0	0	0	0	109.7	T200 I201 F202 A252 T256 D275 V276 A608 L611 T612	T200-V254 PolarHBondContact O-N 3.17Å; I201-V254 WeakPolarHBondContact CA-O 3.42Å; I201-V254 HydrophobicContact CG1-CB 4.42Å; F202-V254 PolarHBondContact N-O 2.75Å; A252-V254 WeakPolarHBondContact CB-O 3.37Å; V254-T256 HydrophobicContact CG1-CG2 3.81Å; V254-D275 WeakPolarHBondContact CA-OD2 3.31Å; V254-D275 HydrophobicContact CG1-CB 3.92Å; V254-V276 HydrophobicContact CG1-CG2 4.45Å; V254-A608 HydrophobicContact CG1-CB 4.33Å; V254-L611 HydrophobicContact CG1-CD2 4.28Å; V254-L611 HydrophobicContact CG2-CB 3.96Å; V254-L611 HydrophobicContact CG2-CD2 3.81Å; V254-L611 HydrophobicContact CG2-CG 3.62Å; V254-T612 WeakPolarHBondContact CB-OG1 3.44Å; V254-T612 WeakPolarHBondContact CG2-OG1 3.41Å
255	F	98.6	Very high	97.1	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	130.1	174	172.1	-135.5	0	0	0	109.8	F202 T204 V249 T257 A266 L270 R272 P274 D275	F202-F255 AromaticContact CD1-CD2 3.88Å; F202-F255 HydrophobicContact CD1-CD2 3.88Å; F202-F255 AromaticContact CD1-CE2 3.96Å; F202-F255 HydrophobicContact CD1-CE2 3.96Å; F202-F255 HydrophobicContact CE1-CE2 4.39Å; F202-F255 WeakPolarHBondContact O-CA 3.5Å; F202-F255 WeakPolarHBondContact O-CD2 3.4Å; T204-F255 HydrophobicContact CG2-CE2 3.56Å; T204-F255 HydrophobicContact CG2-CZ 3.67Å; V249-F255 HydrophobicContact CB-CD2 4.42Å; V249-F255 HydrophobicContact CB-CE2 4.46Å; V249-F255 HydrophobicContact CG1-CD1 3.7Å; V249-F255 HydrophobicContact CG1-CD2 4.05Å; V249-F255 HydrophobicContact CG1-CE1 3.81Å; V249-F255 HydrophobicContact CG1-CE2 4.17Å; V249-F255 HydrophobicContact CG1-CG 3.84Å; V249-F255 HydrophobicContact CG1-CZ 4.06Å; V249-F255 HydrophobicContact CG2-CD2 3.95Å; V249-F255 HydrophobicContact CG2-CE1 4.47Å; V249-F255 HydrophobicContact CG2-CE2 3.59Å; V249-F255 HydrophobicContact CG2-CZ 3.89Å; F255-T257 HydrophobicContact CE1-CG2 4.48Å; F255-T257 HydrophobicContact CE2-CG2 4.38Å; F255-T257 HydrophobicContact CZ-CG2 3.87Å; F255-A266 HydrophobicContact CE1-CB 3.87Å; F255-A266 HydrophobicContact CZ-CB 3.72Å; F255-L270 HydrophobicContact CZ-CD1 4.31Å; F255-R272 HydrophobicContact CD1-CB 4.29Å; F255-R272 HydrophobicContact CD1-CG 3.98Å; F255-R272 WeakPolarHBondContact CE1-O 3.36Å; F255-P274 HydrophobicContact CD1-CB 4.06Å; F255-P274 HydrophobicContact CD1-CG 4.04Å; F255-P274 HydrophobicContact CE1-CB 4.11Å; F255-P274 HydrophobicContact CE1-CG 3.59Å; F255-P274 HydrophobicContact CZ-CG 4.16Å; F255-P274 CarbonylContact O-C 3.57Å; F255-D275 PolarHBondContact N-OD2 3.11Å; F255-D275 WeakPolarHBondContact O-CB 3.11Å; F255-D275 PolarHBondContact O-N 3.44Å
256	T	98.4	Very high	97	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	153.1	178.1	79.3	0	0	0	0	112.7	I201 F202 T203 T204 V254 V276 T278 A608	I201-T256 HydrophobicContact CG2-CG2 4.1Å; F202-T256 PolarHBondContact O-N 3.32Å; T203-T256 WeakPolarHBondContact CA-O 3.33Å; T203-T256 VanDerWaalsContact CB-OG1 3.32Å; T203-T256 WeakPolarHBondContact CB-OG1 3.48Å; T203-T256 WeakPolarHBondContact CG2-OG1 3.47Å; T203-T256 PolarHBondContact OG1-OG1 3.15Å; T204-T256 PolarHBondContact N-O 2.8Å; V254-T256 HydrophobicContact CG1-CG2 3.81Å; T256-V276 WeakPolarHBondContact CA-O 3.39Å; T256-V276 WeakPolarHBondContact CB-O 3.28Å; T256-V276 HydrophobicContact CG2-CB 3.98Å; T256-T278 HydrophobicContact CG2-CG2 4.18Å; T256-T278 PolarHBondContact OG1-OG1 3.42Å; T256-A608 HydrophobicContact CG2-CB 4.01Å
257	T	98.3	Very high	97	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	162.5	169	55	0	0	0	0	109.8	T204 F255 S259 T262 A263 A266 P274 V276 V277 T278	T204-T257 HydrophobicContact CG2-CG2 3.61Å; T204-T257 WeakPolarHBondContact O-CA 3.48Å; F255-T257 HydrophobicContact CE1-CG2 4.48Å; F255-T257 HydrophobicContact CE2-CG2 4.38Å; F255-T257 HydrophobicContact CZ-CG2 3.87Å; T257-S259 PolarHBondContact OG1-O 3.42Å; T257-S259 VanDerWaalsContact OG1-O 3.1Å; T257-T262 HydrophobicContact CG2-CG2 4.02Å; T257-A263 WeakPolarHBondContact OG1-CB 3.33Å; T257-A266 HydrophobicContact CG2-CB 4.03Å; T257-P274 HydrophobicContact CG2-CB 4.14Å; T257-P274 HydrophobicContact CG2-CG 3.39Å; T257-V276 PolarHBondContact N-O 3.47Å; T257-V277 CarbonylContact O-C 3.54Å; T257-V277 WeakPolarHBondContact O-CA 3.33Å; T257-T278 PolarHBondContact O-N 3.31Å; T257-T278 PolarHBondContact O-OG1 3.32Å
258	V	96.9	Very high	96.9	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.104	C	C	.	.	S	Bend	trans	-85.3	-8.5	-179.9	-62	0	0	0	0	114.7	T203 H205 T278 P279 P511 W512	T203-V258 HydrophobicContact CG2-CG1 4.29Å; H205-V258 HydrophobicContact CB-CG1 4.39Å; H205-V258 WeakPolarHBondContact ND1-CG1 3.5Å; V258-T278 WeakPolarHBondContact CA-O 3.26Å; V258-P279 WeakPolarHBondContact O-CA 3.4Å; V258-P511 HydrophobicContact CG2-CB 4.4Å; V258-W512 HydrophobicContact CG2-CB 4.31Å
259	S	96.1	Very high	96.7	Very high	2 Å²	2	21 Å²	21	1%	0.014	10%	0.104	C	C	.	.	S	Bend	trans	-156	164.3	177	70	0	0	0	0	112.2	T257 I261 T262 A263 P511	T257-S259 PolarHBondContact OG1-O 3.42Å; T257-S259 VanDerWaalsContact OG1-O 3.1Å; S259-I261 WeakPolarHBondContact OG-CG2 3.22Å; S259-T262 PolarHBondContact O-N 2.81Å; S259-T262 WeakPolarHBondContact OG-CB 3.44Å; S259-T262 PolarHBondContact OG-N 3.03Å; S259-T262 PolarHBondContact OG-OG1 3.08Å; S259-T262 VanDerWaalsContact OG-OG1 3.05Å; S259-A263 PolarHBondContact O-N 3.11Å; S259-P511 WeakPolarHBondContact CB-O 3.42Å; S259-P511 PolarHBondContact OG-O 3.48Å
260	E	92.4	Very high	96.7	Very high	89 Å²	89	21 Å²	21	42%	0.416	10%	0.104	S	C	.	.	H	α-helix	trans	-66.4	-37.9	176.1	-171.1	58.8	-156.2	0	0	112.3	T262 A263 I264	E260-T262 VanDerWaalsContact C-N 3.33Å; E260-T262 PolarHBondContact O-N 3.45Å; E260-A263 WeakPolarHBondContact O-CA 3.47Å; E260-A263 VanDerWaalsContact O-CB 3.3Å; E260-A263 WeakPolarHBondContact O-CB 3.37Å; E260-A263 PolarHBondContact O-N 3.22Å; E260-A263 VanDerWaalsContact O-N 3.09Å; E260-I264 WeakPolarHBondContact O-CG1 3.44Å; E260-I264 PolarHBondContact O-N 3.12Å
261	I	94.3	Very high	96.6	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-65.6	-39.4	177.9	-167.8	63.2	0	0	0	111.3	Y221 S259 A263 I264 E265 L531	Y221-I261 HydrophobicContact CD1-CD1 3.87Å; Y221-I261 HydrophobicContact CD1-CG1 4.28Å; Y221-I261 HydrophobicContact CE1-CD1 3.67Å; Y221-I261 HydrophobicContact CE1-CG1 3.55Å; S259-I261 WeakPolarHBondContact OG-CG2 3.22Å; I261-A263 VanDerWaalsContact C-N 3.3Å; I261-I264 HydrophobicContact CD1-CD1 4.45Å; I261-I264 PolarHBondContact O-N 3.01Å; I261-E265 PolarHBondContact O-N 3.38Å; I261-E265 VanDerWaalsContact O-N 3.11Å; I261-L531 HydrophobicContact CD1-CD2 3.99Å; I261-L531 HydrophobicContact CG1-CD2 4.46Å
262	T	96.7	Very high	96.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-70.8	-26.6	172.8	-56.6	0	0	0	0	111.8	T257 S259 E260 E265 A266 P511	T257-T262 HydrophobicContact CG2-CG2 4.02Å; S259-T262 PolarHBondContact O-N 2.81Å; S259-T262 WeakPolarHBondContact OG-CB 3.44Å; S259-T262 PolarHBondContact OG-N 3.03Å; S259-T262 PolarHBondContact OG-OG1 3.08Å; S259-T262 VanDerWaalsContact OG-OG1 3.05Å; E260-T262 VanDerWaalsContact C-N 3.33Å; E260-T262 PolarHBondContact O-N 3.45Å; T262-E265 WeakPolarHBondContact O-CB 3.3Å; T262-E265 PolarHBondContact O-N 2.79Å; T262-A266 VanDerWaalsContact O-CB 3.3Å; T262-A266 WeakPolarHBondContact O-CB 3.19Å; T262-A266 PolarHBondContact O-N 3.22Å; T262-P511 WeakPolarHBondContact OG1-CA 3.4Å
263	A	96.5	Very high	96.5	Very high	6 Å²	6	28 Å²	28	5%	0.05	13%	0.127	C	C	.	.	H	α-helix	trans	-64.9	-46.8	172.6	0	0	0	0	0	112.1	T257 S259 E260 I261 E265 A266 E267 P274 V277	T257-A263 WeakPolarHBondContact OG1-CB 3.33Å; S259-A263 PolarHBondContact O-N 3.11Å; E260-A263 WeakPolarHBondContact O-CA 3.47Å; E260-A263 VanDerWaalsContact O-CB 3.3Å; E260-A263 WeakPolarHBondContact O-CB 3.37Å; E260-A263 PolarHBondContact O-N 3.22Å; E260-A263 VanDerWaalsContact O-N 3.09Å; I261-A263 VanDerWaalsContact C-N 3.3Å; A263-E265 VanDerWaalsContact C-N 3.29Å; A263-E265 PolarHBondContact O-N 3.11Å; A263-A266 PolarHBondContact O-N 2.9Å; A263-E267 PolarHBondContact O-N 3.45Å; A263-P274 HydrophobicContact CB-CG 3.69Å; A263-V277 HydrophobicContact CB-CG2 4.31Å
264	I	95.4	Very high	96.5	Very high	32 Å²	32	27.1 Å²	27.1	16%	0.164	12%	0.124	C	C	.	.	H	α-helix	trans	-59.5	-43.6	175	-66.4	158.2	0	0	0	110.5	L224 E260 I261 H268	L224-I264 HydrophobicContact CD1-CG2 3.78Å; E260-I264 WeakPolarHBondContact O-CG1 3.44Å; E260-I264 PolarHBondContact O-N 3.12Å; I261-I264 HydrophobicContact CD1-CD1 4.45Å; I261-I264 PolarHBondContact O-N 3.01Å; I264-H268 PolarHBondContact O-N 2.48Å; I264-H268 PolarHBondContact O-ND1 2.66Å
265	E	95.4	Very high	96.3	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.8	-50	176.1	-176.3	-172.2	163.7	0	0	112	T207 G210 F220 I261 T262 A263 E267 H268 M269 Y509	T207-E265 VanDerWaalsContact CB-OE1 3.26Å; T207-E265 WeakPolarHBondContact CB-OE1 3.37Å; T207-E265 HydrophobicContact CG2-CB 4.43Å; T207-E265 HydrophobicContact CG2-CG 3.71Å; T207-E265 WeakPolarHBondContact CG2-OE1 3.28Å; T207-E265 PolarHBondContact OG1-OE1 2.9Å; G210-E265 VanDerWaalsContact CA-OE1 3.28Å; G210-E265 WeakPolarHBondContact CA-OE1 3.22Å; F220-E265 HydrophobicContact CE1-CG 4.01Å; F220-E265 HydrophobicContact CZ-CG 3.79Å; I261-E265 PolarHBondContact O-N 3.38Å; I261-E265 VanDerWaalsContact O-N 3.11Å; T262-E265 WeakPolarHBondContact O-CB 3.3Å; T262-E265 PolarHBondContact O-N 2.79Å; A263-E265 VanDerWaalsContact C-N 3.29Å; A263-E265 PolarHBondContact O-N 3.11Å; E265-E267 VanDerWaalsContact C-N 3.33Å; E265-E267 PolarHBondContact O-N 3.33Å; E265-H268 PolarHBondContact O-N 3.05Å; E265-H268 VanDerWaalsContact O-N 3.15Å; E265-M269 HydrophobicContact CG-CG 4.15Å; E265-M269 WeakPolarHBondContact O-CB 3.5Å; E265-M269 WeakPolarHBondContact O-CG 3.46Å; E265-M269 PolarHBondContact O-N 3.22Å; E265-Y509 PolarHBondContact OE1-OH 2.81Å
266	A	96.9	Very high	96.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63.5	-36.8	-179.3	0	0	0	0	0	112.7	T207 F255 T257 T262 A263 H268 L270 K271 P274	T207-A266 HydrophobicContact CG2-CB 4.3Å; F255-A266 HydrophobicContact CE1-CB 3.87Å; F255-A266 HydrophobicContact CZ-CB 3.72Å; T257-A266 HydrophobicContact CG2-CB 4.03Å; T262-A266 VanDerWaalsContact O-CB 3.3Å; T262-A266 WeakPolarHBondContact O-CB 3.19Å; T262-A266 PolarHBondContact O-N 3.22Å; A263-A266 PolarHBondContact O-N 2.9Å; A266-H268 PolarHBondContact O-N 2.67Å; A266-L270 HydrophobicContact CB-CD1 4.11Å; A266-L270 HydrophobicContact CB-CG 4.48Å; A266-L270 CarbonylContact O-C 3.58Å; A266-L270 VanDerWaalsContact O-CA 3.28Å; A266-L270 WeakPolarHBondContact O-CA 3.28Å; A266-L270 VanDerWaalsContact O-CB 3.29Å; A266-L270 WeakPolarHBondContact O-CB 3.07Å; A266-L270 PolarHBondContact O-N 3.24Å; A266-K271 PolarHBondContact O-N 3.03Å; A266-P274 HydrophobicContact CB-CG 4.41Å
267	E	96.9	Very high	95.9	Very high	88 Å²	88	31 Å²	31	41%	0.411	15%	0.146	S	C	.	.	H	α-helix	trans	-56.7	-42.1	174.5	-176.7	173.3	177.7	0	0	111.2	A263 E265 K271 K273	A263-E267 PolarHBondContact O-N 3.45Å; E265-E267 VanDerWaalsContact C-N 3.33Å; E265-E267 PolarHBondContact O-N 3.33Å; E267-K271 VanDerWaalsContact O-CA 3.27Å; E267-K271 WeakPolarHBondContact O-CA 3.16Å; E267-K271 PolarHBondContact O-N 3.28Å; E267-K273 HydrophobicContact CG-CB 4.31Å
268	H	95.8	Very high	95.8	Very high	56 Å²	56	31 Å²	31	26%	0.259	15%	0.146	S	C	.	.	H	α-helix	trans	-81.6	-45.6	-179.6	-66.9	78.6	0	0	0	112.5	L224 I229 I264 E265 A266 K271	L224-H268 HydrophobicContact CB-CB 4.02Å; I229-H268 WeakPolarHBondContact CD1-O 3.27Å; I264-H268 PolarHBondContact O-N 2.48Å; I264-H268 PolarHBondContact O-ND1 2.66Å; E265-H268 PolarHBondContact O-N 3.05Å; E265-H268 VanDerWaalsContact O-N 3.15Å; A266-H268 PolarHBondContact O-N 2.67Å; H268-K271 VanDerWaalsContact O-CD 3.28Å; H268-K271 WeakPolarHBondContact O-CD 3.34Å; H268-K271 WeakPolarHBondContact O-CE 3.37Å; H268-K271 PolarHBondContact O-NZ 3.25Å
269	M	94.4	Very high	95.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-82.7	-39.4	-172.8	-62.2	-59.6	139.6	0	0	112.9	L213 F220 L224 F227 I229 Y242 E265	L213-M269 HydrophobicContact CD1-SD 4.49Å; F220-M269 HydrophobicContact CE2-CE 4Å; F220-M269 HydrophobicContact CZ-CE 4.41Å; L224-M269 HydrophobicContact CB-CE 4.42Å; L224-M269 HydrophobicContact CD2-CE 3.74Å; F227-M269 HydrophobicContact CB-CE 4.35Å; F227-M269 HydrophobicContact CD2-CE 3.8Å; F227-M269 HydrophobicContact CG-CE 4.42Å; I229-M269 HydrophobicContact CD1-SD 4.44Å; I229-M269 HydrophobicContact CG1-SD 4.05Å; Y242-M269 WeakPolarHBondContact CE2-O 3.41Å; Y242-M269 PolarHBondContact OH-O 3.26Å; E265-M269 HydrophobicContact CG-CG 4.15Å; E265-M269 WeakPolarHBondContact O-CB 3.5Å; E265-M269 WeakPolarHBondContact O-CG 3.46Å; E265-M269 PolarHBondContact O-N 3.22Å
270	L	97.1	Very high	95.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-4.3	-175.7	-51.7	178.3	0	0	0	112.3	T204 T207 Y242 E245 R246 V249 H250 F255 A266 R272	T204-L270 HydrophobicContact CG2-CD1 4.4Å; T207-L270 HydrophobicContact CG2-CD1 3.94Å; T207-L270 HydrophobicContact CG2-CG 4.26Å; Y242-L270 HydrophobicContact CE2-CD2 4.08Å; E245-L270 HydrophobicContact CG-CD1 4.16Å; E245-L270 HydrophobicContact CG-CD2 3.86Å; E245-L270 WeakPolarHBondContact OE2-CD2 3.49Å; R246-L270 HydrophobicContact CB-CD2 4.47Å; V249-L270 HydrophobicContact CG1-CB 4.34Å; V249-L270 HydrophobicContact CG2-CB 4.31Å; V249-L270 HydrophobicContact CG2-CD1 3.74Å; H250-L270 PolarHBondContact NE2-O 3.44Å; F255-L270 HydrophobicContact CZ-CD1 4.31Å; A266-L270 HydrophobicContact CB-CD1 4.11Å; A266-L270 HydrophobicContact CB-CG 4.48Å; A266-L270 CarbonylContact O-C 3.58Å; A266-L270 VanDerWaalsContact O-CA 3.28Å; A266-L270 WeakPolarHBondContact O-CA 3.28Å; A266-L270 VanDerWaalsContact O-CB 3.29Å; A266-L270 WeakPolarHBondContact O-CB 3.07Å; A266-L270 PolarHBondContact O-N 3.24Å; L270-R272 PolarHBondContact O-N 3.44Å
271	K	96.5	Very high	95.6	Very high	99 Å²	99	27 Å²	27	43%	0.43	13%	0.128	S	C	.	.	S	Bend	trans	59.6	29.8	174.6	-53.2	-57	-174	-164.1	0	113.8	I229 H250 A266 E267 H268	I229-K271 HydrophobicContact CD1-CD 4.38Å; H250-K271 PolarHBondContact CE1-O 3.15Å; H250-K271 VanDerWaalsContact CE1-O 3.28Å; A266-K271 PolarHBondContact O-N 3.03Å; E267-K271 VanDerWaalsContact O-CA 3.27Å; E267-K271 WeakPolarHBondContact O-CA 3.16Å; E267-K271 PolarHBondContact O-N 3.28Å; H268-K271 VanDerWaalsContact O-CD 3.28Å; H268-K271 WeakPolarHBondContact O-CD 3.34Å; H268-K271 WeakPolarHBondContact O-CE 3.37Å; H268-K271 PolarHBondContact O-NZ 3.25Å
272	R	97.3	Very high	95.3	Very high	46 Å²	46	27.7 Å²	27.7	17%	0.174	13%	0.132	C	C	.	.	S	Bend	trans	-145.9	126	172.1	-177.4	179.3	170.8	167.9	0.2	108.1	V249 A252 H253 F255 L270 D275	V249-R272 HydrophobicContact CG1-CB 3.61Å; V249-R272 HydrophobicContact CG1-CG 4.13Å; V249-R272 WeakPolarHBondContact O-CD 3.38Å; V249-R272 PolarHBondContact O-NH1 3.02Å; A252-R272 PolarHBondContact O-NH1 2.87Å; A252-R272 PolarHBondContact O-NH2 2.98Å; H253-R272 PolarHBondContact O-NH2 3.39Å; F255-R272 HydrophobicContact CD1-CB 4.29Å; F255-R272 HydrophobicContact CD1-CG 3.98Å; F255-R272 WeakPolarHBondContact CE1-O 3.36Å; L270-R272 PolarHBondContact O-N 3.44Å; R272-D275 IonicContact CZ-OD2 3.65Å; R272-D275 IonicContact NE-OD2 2.79Å; R272-D275 IonicContact NH2-OD2 2.77Å; R272-D275 PolarHBondContact NH2-OD2 3.45Å
273	K	96.9	Very high	94.7	Very high	135 Å²	135	29.9 Å²	29.9	59%	0.587	14%	0.143	S	C	*	.			trans	-69.6	133.7	170.1	-174.3	176.1	177.9	175.9	0	109.2	E267	E267-K273 HydrophobicContact CG-CB 4.31Å
274	P	96.8	Very high	94	Very high	15 Å²	15	30.4 Å²	30.4	10%	0.097	15%	0.146	C	C	.	.			trans	-60.2	144.4	173.3	-21.1	32.2	0	0	0	111.8	F255 T257 A263 A266	F255-P274 HydrophobicContact CD1-CB 4.06Å; F255-P274 HydrophobicContact CD1-CG 4.04Å; F255-P274 HydrophobicContact CE1-CB 4.11Å; F255-P274 HydrophobicContact CE1-CG 3.59Å; F255-P274 HydrophobicContact CZ-CG 4.16Å; F255-P274 CarbonylContact O-C 3.57Å; T257-P274 HydrophobicContact CG2-CB 4.14Å; T257-P274 HydrophobicContact CG2-CG 3.39Å; A263-P274 HydrophobicContact CB-CG 3.69Å; A266-P274 HydrophobicContact CB-CG 4.41Å
275	D	95.2	Very high	92.7	Very high	41 Å²	41	36.5 Å²	36.5	22%	0.219	17%	0.171	C	C	.	.	S	Bend	trans	-77.6	-36.4	175.6	-64.2	-73.8	0	0	0	111.4	V254 F255 R272 L611 R615	V254-D275 WeakPolarHBondContact CA-OD2 3.31Å; V254-D275 HydrophobicContact CG1-CB 3.92Å; F255-D275 PolarHBondContact N-OD2 3.11Å; F255-D275 WeakPolarHBondContact O-CB 3.11Å; F255-D275 PolarHBondContact O-N 3.44Å; R272-D275 IonicContact CZ-OD2 3.65Å; R272-D275 IonicContact NE-OD2 2.79Å; R272-D275 IonicContact NH2-OD2 2.77Å; R272-D275 PolarHBondContact NH2-OD2 3.45Å; D275-L611 HydrophobicContact CB-CD2 4.04Å; D275-R615 IonicContact OD1-CZ 3.66Å; D275-R615 VanDerWaalsContact OD1-CZ 3.25Å; D275-R615 IonicContact OD1-NH1 3.16Å; D275-R615 PolarHBondContact OD1-NH1 3.46Å; D275-R615 IonicContact OD1-NH2 2.63Å; D275-R615 PolarHBondContact OD1-NH2 3.09Å; D275-R615 IonicContact OD2-NH1 3.62Å; D275-R615 PolarHBondContact OD2-NH1 2.86Å
276	V	93.6	Very high	91	Very high	6 Å²	6	40.8 Å²	40.8	4%	0.036	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	139.7	-178.2	-174	0	0	0	0	109.3	V254 T256 T257 T278 A608 L611	V254-V276 HydrophobicContact CG1-CG2 4.45Å; T256-V276 WeakPolarHBondContact CA-O 3.39Å; T256-V276 WeakPolarHBondContact CB-O 3.28Å; T256-V276 HydrophobicContact CG2-CB 3.98Å; T257-V276 PolarHBondContact N-O 3.47Å; V276-T278 HydrophobicContact CG1-CG2 4.2Å; V276-A608 HydrophobicContact CB-CB 4.43Å; V276-A608 HydrophobicContact CG2-CB 4.34Å; V276-L611 HydrophobicContact CG2-CD2 4.06Å
277	V	95.1	Very high	89.1	Confident	34 Å²	34	44.2 Å²	44.2	21%	0.206	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	128.4	164.5	177.4	0	0	0	0	108.2	T257 A263 P279 Y604	T257-V277 CarbonylContact O-C 3.54Å; T257-V277 WeakPolarHBondContact O-CA 3.33Å; A263-V277 HydrophobicContact CB-CG2 4.31Å; V277-P279 HydrophobicContact CG1-CG 4.29Å; V277-P279 WeakPolarHBondContact O-CD 3.41Å; V277-Y604 VanDerWaalsContact O-CD1 3.24Å; V277-Y604 WeakPolarHBondContact O-CD1 3.43Å
278	T	95.8	Very high	86.7	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.231	C	C	.	.			trans	-115.7	82.2	-179.7	51.7	0	0	0	0	109.8	T256 T257 V258 V276 Y605	T256-T278 HydrophobicContact CG2-CG2 4.18Å; T256-T278 PolarHBondContact OG1-OG1 3.42Å; T257-T278 PolarHBondContact O-N 3.31Å; T257-T278 PolarHBondContact O-OG1 3.32Å; V258-T278 WeakPolarHBondContact CA-O 3.26Å; V276-T278 HydrophobicContact CG1-CG2 4.2Å; T278-Y605 HydrophobicContact CG2-CD2 4.18Å; T278-Y605 HydrophobicContact CG2-CE2 4.29Å
279	P	95	Very high	84.6	Confident	5 Å²	5	45.3 Å²	45.3	3%	0.032	23%	0.231	C	C	.	.			trans	-58.7	146	-178.6	-19.7	31.5	0	0	0	111.9	V258 V277 G281 W512 F537 L601 Y604	V258-P279 WeakPolarHBondContact O-CA 3.4Å; V277-P279 HydrophobicContact CG1-CG 4.29Å; V277-P279 WeakPolarHBondContact O-CD 3.41Å; P279-G281 PolarHBondContact O-N 3.4Å; P279-W512 HydrophobicContact CB-CH2 3.56Å; P279-W512 HydrophobicContact CB-CZ2 4.37Å; P279-W512 HydrophobicContact CB-CZ3 3.67Å; P279-F537 HydrophobicContact CB-CD2 4.16Å; P279-F537 HydrophobicContact CB-CE2 4.32Å; P279-F537 HydrophobicContact CG-CD2 3.98Å; P279-F537 HydrophobicContact CG-CE2 4.11Å; P279-L601 HydrophobicContact CB-CD1 4.32Å; P279-L601 HydrophobicContact CB-CD2 4.06Å; P279-L601 HydrophobicContact CG-CD2 4.31Å; P279-Y604 HydrophobicContact CG-CD2 4.37Å; P279-Y604 HydrophobicContact CG-CE2 4.31Å
280	N	94.6	Very high	83.1	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.011	25%	0.254	C	S	.	.			trans	-83.2	120.6	-178.8	-62.6	-53.2	0	0	0	111.1	V47 W512 Y514	V47-N280 HydrophobicContact CG2-CB 4.3Å; V47-N280 WeakPolarHBondContact CG2-OD1 3.43Å; N280-W512 HydrophobicContact CB-CD2 4.06Å; N280-W512 HydrophobicContact CB-CG 3.93Å; N280-W512 WeakPolarHBondContact ND2-CB 3.32Å; N280-W512 VanDerWaalsContact O-CE2 3.25Å; N280-W512 WeakPolarHBondContact O-CZ2 3.13Å; N280-W512 PolarHBondContact O-NE1 3.5Å; N280-Y514 HydrophobicContact CB-CE1 3.8Å; N280-Y514 PolarHBondContact ND2-OH 3.43Å
281	G	92.1	Very high	82	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.28	C	S	.	.			trans	-88.8	178.3	172.9	0	0	0	0	0	114.5	P279 L596 W598	P279-G281 PolarHBondContact O-N 3.4Å; G281-L596 CarbonylContact C-O 3.53Å; G281-L596 WeakPolarHBondContact CA-O 3.28Å; G281-W598 VanDerWaalsContact O-CE2 3.22Å; G281-W598 WeakPolarHBondContact O-CZ2 3.39Å; G281-W598 PolarHBondContact O-NE1 3.47Å; G281-W598 VanDerWaalsContact O-NE1 3.07Å
282	L	88.6	Confident	81.3	Confident	17 Å²	17	53.8 Å²	53.8	9%	0.089	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-132.5	159.5	173.8	-66.7	171.1	0	0	0	109.3	V284 Y514 A517 E518 V521 L596 D597 W598	L282-V284 PolarHBondContact O-N 3.5Å; L282-Y514 HydrophobicContact CD2-CD1 4.39Å; L282-A517 HydrophobicContact CD1-CB 4.04Å; L282-E518 HydrophobicContact CD1-CG 3.96Å; L282-V521 HydrophobicContact CD1-CG2 3.95Å; L282-L596 PolarHBondContact N-O 3.36Å; L282-D597 WeakPolarHBondContact O-CA 3.45Å; L282-W598 PolarHBondContact O-N 2.81Å
283	N	83.7	Confident	80.7	Confident	46 Å²	46	51.9 Å²	51.9	25%	0.246	27%	0.27	C	S	.	.			trans	-84.2	104.4	169.2	-71.9	-21.3	0	0	0	108.9	T50 K285	T50-N283 VanDerWaalsContact O-CG 3.31Å; T50-N283 PolarHBondContact O-ND2 3.37Å; T50-N283 PolarHBondContact O-OD1 2.76Å; N283-K285 PolarHBondContact O-N 2.75Å
284	V	80.5	Confident	80.2	Confident	17 Å²	17	46.8 Å²	46.8	10%	0.103	25%	0.248	C	C	.	.			trans	-81.5	106.1	179.7	-177.9	0	0	0	0	109	L282 K286 V521 D597	L282-V284 PolarHBondContact O-N 3.5Å; V284-K286 HydrophobicContact CG1-CG 4.48Å; V284-K286 PolarHBondContact O-N 3.17Å; V284-K286 VanDerWaalsContact O-N 3.08Å; V284-V521 HydrophobicContact CG1-CG1 4.22Å; V284-V521 HydrophobicContact CG2-CG1 4.12Å; V284-V521 HydrophobicContact CG2-CG2 3.93Å; V284-D597 HydrophobicContact CB-CB 4.34Å; V284-D597 VanDerWaalsContact CB-OD2 3.3Å; V284-D597 WeakPolarHBondContact CB-OD2 3.33Å; V284-D597 HydrophobicContact CG2-CB 3.86Å; V284-D597 PolarHBondContact N-OD2 2.99Å
285	K	69.5	Low	79.9	Confident	159 Å²	159	51 Å²	51	69%	0.691	27%	0.27	S	S	*	.			trans	-72.7	100.5	169.9	-67.8	-175.9	-178.6	177.2	0	108.6	N283 F287	N283-K285 PolarHBondContact O-N 2.75Å; K285-F287 PolarHBondContact O-N 2.82Å
286	K	59.9	Low	79.8	Confident	91 Å²	91	50.5 Å²	50.5	40%	0.396	27%	0.267	S	S	.	.			trans	-70.5	120.2	172.2	-65.2	-164.8	177.5	-161.8	0	109.4	S11 V284 D594	S11-K286 PolarHBondContact OG-NZ 2.68Å; V284-K286 HydrophobicContact CG1-CG 4.48Å; V284-K286 PolarHBondContact O-N 3.17Å; V284-K286 VanDerWaalsContact O-N 3.08Å; K286-D594 WeakPolarHBondContact CE-OD1 3.38Å; K286-D594 VanDerWaalsContact NZ-CG 3.29Å; K286-D594 IonicContact NZ-OD1 3.78Å; K286-D594 PolarHBondContact NZ-OD1 2.83Å; K286-D594 IonicContact NZ-OD2 3.19Å; K286-D594 PolarHBondContact NZ-OD2 3.46Å; K286-D594 VanDerWaalsContact NZ-OD2 3.1Å
287	F	56.5	Low	79.9	Confident	71 Å²	71	50.8 Å²	50.8	31%	0.311	27%	0.268	S	S	.	.			trans	-67.9	146.8	170	-66.1	-79.6	0	0	0	109.8	K285 A289 E292 L296	K285-F287 PolarHBondContact O-N 2.82Å; F287-A289 PolarHBondContact O-N 2.85Å; F287-E292 HydrophobicContact CB-CB 4.2Å; F287-E292 HydrophobicContact CD1-CB 4.35Å; F287-E292 VanDerWaalsContact CD1-CD 3.4Å; F287-E292 HydrophobicContact CD1-CG 4.06Å; F287-E292 VanDerWaalsContact CD1-OE2 3.28Å; F287-E292 WeakPolarHBondContact CD1-OE2 3.38Å; F287-E292 HydrophobicContact CG-CB 4.26Å; F287-E292 HydrophobicContact CG-CG 4.46Å; F287-L296 HydrophobicContact CE1-CD1 4.1Å; F287-L296 HydrophobicContact CZ-CD1 3.83Å
288	S	46.2	Very low	80	Confident	138 Å²	138	51.7 Å²	51.7	97%	0.965	28%	0.279	S	S	*	.	S	Bend	trans	-63.3	-23.7	175.7	-60.3	0	0	0	0	112.1
289	A	51.2	Low	80	Confident	30 Å²	30	56.1 Å²	56.1	25%	0.248	30%	0.301	C	S	.	.	S	Bend	trans	-125.7	122	176.1	0	0	0	0	0	111.1	F287 H291 E292	F287-A289 PolarHBondContact O-N 2.85Å; A289-H291 PolarHBondContact O-N 3.34Å; A289-E292 VanDerWaalsContact O-CB 3.23Å; A289-E292 WeakPolarHBondContact O-CB 3.36Å; A289-E292 PolarHBondContact O-N 3.15Å
290	V	62.8	Low	80.1	Confident	82 Å²	82	57.4 Å²	57.4	50%	0.497	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-30.4	-177.9	-178.6	0	0	0	0	112.2	E292 F293	V290-E292 VanDerWaalsContact C-N 3.28Å; V290-E292 PolarHBondContact O-N 3.17Å; V290-F293 HydrophobicContact CG1-CE1 4.47Å; V290-F293 WeakPolarHBondContact O-CD1 3.39Å; V290-F293 WeakPolarHBondContact O-CE1 3.46Å
291	H	74.4	Confident	80.3	Confident	119 Å²	119	58.4 Å²	58.4	55%	0.551	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-5.7	179.7	61.1	-91.9	0	0	0	114.4	A289 F293 Q294 N295	A289-H291 PolarHBondContact O-N 3.34Å; H291-F293 VanDerWaalsContact C-N 3.33Å; H291-F293 PolarHBondContact O-N 2.95Å; H291-Q294 WeakPolarHBondContact O-CB 3.48Å; H291-Q294 PolarHBondContact O-N 2.92Å; H291-N295 PolarHBondContact O-N 2.99Å
292	E	82.5	Confident	80.5	Confident	76 Å²	76	60.4 Å²	60.4	36%	0.355	33%	0.326	S	S	.	.	H	α-helix	trans	-62.7	-39	-177	-171.1	173.3	174.7	0	0	112	F287 A289 V290 Q294 N295 L296	F287-E292 HydrophobicContact CB-CB 4.2Å; F287-E292 HydrophobicContact CD1-CB 4.35Å; F287-E292 VanDerWaalsContact CD1-CD 3.4Å; F287-E292 HydrophobicContact CD1-CG 4.06Å; F287-E292 VanDerWaalsContact CD1-OE2 3.28Å; F287-E292 WeakPolarHBondContact CD1-OE2 3.38Å; F287-E292 HydrophobicContact CG-CB 4.26Å; F287-E292 HydrophobicContact CG-CG 4.46Å; A289-E292 VanDerWaalsContact O-CB 3.23Å; A289-E292 WeakPolarHBondContact O-CB 3.36Å; A289-E292 PolarHBondContact O-N 3.15Å; V290-E292 VanDerWaalsContact C-N 3.28Å; V290-E292 PolarHBondContact O-N 3.17Å; E292-Q294 PolarHBondContact O-N 3.26Å; E292-N295 WeakPolarHBondContact O-CB 3.25Å; E292-N295 PolarHBondContact O-N 3.3Å; E292-N295 VanDerWaalsContact O-N 3.11Å; E292-L296 WeakPolarHBondContact O-CG 3.31Å; E292-L296 PolarHBondContact O-N 3.33Å
293	F	83.4	Confident	80.9	Confident	5 Å²	5	63.4 Å²	63.4	2%	0.022	34%	0.336	C	S	.	.	H	α-helix	trans	-64.9	-27.9	178.8	82.6	-91.2	0	0	0	112.8	V290 H291 L296 H297 R586 N587 E590	V290-F293 HydrophobicContact CG1-CE1 4.47Å; V290-F293 WeakPolarHBondContact O-CD1 3.39Å; V290-F293 WeakPolarHBondContact O-CE1 3.46Å; H291-F293 VanDerWaalsContact C-N 3.33Å; H291-F293 PolarHBondContact O-N 2.95Å; F293-L296 PolarHBondContact O-N 3.29Å; F293-H297 PolarHBondContact O-N 2.75Å; F293-R586 HydrophobicContact CE2-CB 4.21Å; F293-N587 VanDerWaalsContact CZ-OD1 3.25Å; F293-N587 WeakPolarHBondContact CZ-OD1 3.3Å; F293-E590 HydrophobicContact CD1-CG 4.06Å; F293-E590 HydrophobicContact CE1-CB 4.15Å; F293-E590 HydrophobicContact CE1-CG 3.94Å; F293-E590 HydrophobicContact CE2-CB 4.36Å; F293-E590 HydrophobicContact CZ-CB 3.96Å; F293-E590 HydrophobicContact CZ-CG 4.22Å
294	Q	86.4	Confident	81.6	Confident	28 Å²	28	61.2 Å²	61.2	13%	0.131	32%	0.324	C	S	.	.	H	α-helix	trans	-70.6	-37.3	175	-69.7	-69.5	-11.9	0	0	111.8	H291 E292 H297 A298 R586 N587	H291-Q294 WeakPolarHBondContact O-CB 3.48Å; H291-Q294 PolarHBondContact O-N 2.92Å; E292-Q294 PolarHBondContact O-N 3.26Å; Q294-H297 PolarHBondContact O-N 3.24Å; Q294-A298 PolarHBondContact O-N 3.45Å; Q294-A298 VanDerWaalsContact O-N 3.13Å; Q294-R586 VanDerWaalsContact OE1-CZ 3.29Å; Q294-N587 PolarHBondContact NE2-OD1 3.01Å
295	N	91.2	Very high	82.5	Confident	103 Å²	103	61 Å²	61	55%	0.551	32%	0.322	S	S	*	.	H	α-helix	trans	-65.7	-43.6	173.5	-68.5	-20.2	0	0	0	110.7	H291 E292 H297 A298 M299	H291-N295 PolarHBondContact O-N 2.99Å; E292-N295 WeakPolarHBondContact O-CB 3.25Å; E292-N295 PolarHBondContact O-N 3.3Å; E292-N295 VanDerWaalsContact O-N 3.11Å; N295-H297 VanDerWaalsContact C-N 3.34Å; N295-H297 PolarHBondContact O-N 2.98Å; N295-A298 PolarHBondContact O-N 3.31Å; N295-M299 WeakPolarHBondContact O-CB 3.24Å; N295-M299 PolarHBondContact O-N 2.83Å
296	L	93.4	Very high	83.7	Confident	32 Å²	32	55.9 Å²	55.9	17%	0.168	30%	0.302	C	S	.	.	H	α-helix	trans	-60	-43.1	174.6	-66.1	177	0	0	0	111.6	F287 E292 F293 A298 M299 Y300	F287-L296 HydrophobicContact CE1-CD1 4.1Å; F287-L296 HydrophobicContact CZ-CD1 3.83Å; E292-L296 WeakPolarHBondContact O-CG 3.31Å; E292-L296 PolarHBondContact O-N 3.33Å; F293-L296 PolarHBondContact O-N 3.29Å; L296-A298 PolarHBondContact O-N 3.02Å; L296-M299 HydrophobicContact CD2-CE 3.66Å; L296-M299 PolarHBondContact O-N 3.43Å; L296-Y300 HydrophobicContact CB-CD2 4.14Å; L296-Y300 HydrophobicContact CB-CE2 4.06Å; L296-Y300 HydrophobicContact CD2-CE2 4.02Å; L296-Y300 WeakPolarHBondContact O-CB 3.43Å; L296-Y300 WeakPolarHBondContact O-CD2 3.34Å; L296-Y300 PolarHBondContact O-N 3.3Å
297	H	95.6	Very high	85.5	Confident	11 Å²	11	51.8 Å²	51.8	5%	0.051	29%	0.285	C	S	.	.	H	α-helix	trans	-55.5	-49.4	174.2	169.8	71.8	0	0	0	111.8	F293 Q294 N295 M299 K301 R498 C500 R586	F293-H297 PolarHBondContact O-N 2.75Å; Q294-H297 PolarHBondContact O-N 3.24Å; N295-H297 VanDerWaalsContact C-N 3.34Å; N295-H297 PolarHBondContact O-N 2.98Å; H297-M299 PolarHBondContact O-N 3.3Å; H297-K301 WeakPolarHBondContact O-CB 3.38Å; H297-K301 PolarHBondContact O-N 3.49Å; H297-R498 WeakPolarHBondContact CA-O 3.28Å; H297-R498 PolarHBondContact ND1-O 3.43Å; H297-C500 PolarHBondContact CE1-O 2.96Å; H297-C500 VanDerWaalsContact CE1-O 3.22Å; H297-C500 PolarHBondContact ND1-O 2.96Å; H297-R586 VanDerWaalsContact CD2-CZ 3.44Å; H297-R586 PolarHBondContact CD2-NH2 2.87Å; H297-R586 PolarHBondContact NE2-NH1 2.82Å; H297-R586 VanDerWaalsContact NE2-NH1 3.17Å
298	A	95.8	Very high	87.5	Confident	53 Å²	53	48.4 Å²	48.4	44%	0.438	27%	0.27	S	S	.	.	H	α-helix	trans	-62.5	-43.9	179.9	0	0	0	0	0	112.4	Q294 N295 L296 A302	Q294-A298 PolarHBondContact O-N 3.45Å; Q294-A298 VanDerWaalsContact O-N 3.13Å; N295-A298 PolarHBondContact O-N 3.31Å; L296-A298 PolarHBondContact O-N 3.02Å; A298-A302 PolarHBondContact O-N 3.39Å; A298-A302 VanDerWaalsContact O-N 3.12Å
299	M	96.4	Very high	89.9	Confident	94 Å²	94	46 Å²	46	46%	0.463	24%	0.239	S	C	.	.	H	α-helix	trans	-62.4	-50.1	178.7	-178.7	-175.7	67.4	0	0	111.9	N295 L296 H297 A302 R303	N295-M299 WeakPolarHBondContact O-CB 3.24Å; N295-M299 PolarHBondContact O-N 2.83Å; L296-M299 HydrophobicContact CD2-CE 3.66Å; L296-M299 PolarHBondContact O-N 3.43Å; H297-M299 PolarHBondContact O-N 3.3Å; M299-A302 WeakPolarHBondContact O-CB 3.49Å; M299-A302 PolarHBondContact O-N 3.44Å; M299-R303 PolarHBondContact O-N 3.23Å
300	Y	97.8	Very high	92	Very high	32 Å²	32	44.6 Å²	44.6	13%	0.125	23%	0.228	C	C	.	.	H	α-helix	trans	-72.9	-33	-178.9	-66.5	-54.1	0	0	0	112.6	L296 A302 R303 I304 E495 R498	L296-Y300 HydrophobicContact CB-CD2 4.14Å; L296-Y300 HydrophobicContact CB-CE2 4.06Å; L296-Y300 HydrophobicContact CD2-CE2 4.02Å; L296-Y300 WeakPolarHBondContact O-CB 3.43Å; L296-Y300 WeakPolarHBondContact O-CD2 3.34Å; L296-Y300 PolarHBondContact O-N 3.3Å; Y300-A302 VanDerWaalsContact C-N 3.27Å; Y300-A302 PolarHBondContact O-N 3.49Å; Y300-R303 WeakPolarHBondContact O-CB 3.24Å; Y300-R303 PolarHBondContact O-N 3.16Å; Y300-R303 VanDerWaalsContact O-N 3.14Å; Y300-I304 PolarHBondContact O-N 3.46Å; Y300-E495 WeakPolarHBondContact CB-O 3.18Å; Y300-E495 HydrophobicContact CD1-CB 3.66Å; Y300-E495 HydrophobicContact CD1-CG 4.25Å; Y300-E495 HydrophobicContact CD2-CB 4.38Å; Y300-E495 HydrophobicContact CE1-CB 3.49Å; Y300-E495 VanDerWaalsContact CE1-CB 3.49Å; Y300-E495 HydrophobicContact CE1-CG 3.55Å; Y300-E495 WeakPolarHBondContact CE1-OE1 3.4Å; Y300-E495 HydrophobicContact CE2-CB 4.22Å; Y300-E495 HydrophobicContact CE2-CG 4.29Å; Y300-E495 HydrophobicContact CG-CB 4.12Å; Y300-E495 PolarHBondContact OH-OE1 2.94Å; Y300-R498 HydrophobicContact CD2-CB 3.83Å
301	K	98.1	Very high	93.7	Very high	23 Å²	23	40.7 Å²	40.7	10%	0.1	20%	0.204	C	C	.	.	H	α-helix	trans	-57	-41.4	170.1	-179.7	-175.5	168.2	176.4	0	111.2	H297 R303 I304 Q305 F325 H501	H297-K301 WeakPolarHBondContact O-CB 3.38Å; H297-K301 PolarHBondContact O-N 3.49Å; K301-R303 VanDerWaalsContact C-N 3.32Å; K301-R303 PolarHBondContact O-N 3.37Å; K301-I304 PolarHBondContact O-N 3.48Å; K301-Q305 WeakPolarHBondContact O-CG 2.96Å; K301-Q305 PolarHBondContact O-N 2.89Å; K301-F325 HydrophobicContact CG-CD2 4.11Å; K301-F325 HydrophobicContact CG-CE2 3.85Å; K301-H501 PolarHBondContact NZ-NE2 3.05Å
302	A	97.4	Very high	94.7	Very high	41 Å²	41	35.1 Å²	35.1	34%	0.339	18%	0.178	S	C	.	.	H	α-helix	trans	-62.4	-38.2	177.6	0	0	0	0	0	112.3	A298 M299 Y300 Q305 D306	A298-A302 PolarHBondContact O-N 3.39Å; A298-A302 VanDerWaalsContact O-N 3.12Å; M299-A302 WeakPolarHBondContact O-CB 3.49Å; M299-A302 PolarHBondContact O-N 3.44Å; Y300-A302 VanDerWaalsContact C-N 3.27Å; Y300-A302 PolarHBondContact O-N 3.49Å; A302-Q305 WeakPolarHBondContact O-CB 3.45Å; A302-Q305 PolarHBondContact O-N 2.85Å; A302-D306 PolarHBondContact O-N 3.44Å
303	R	97	Very high	95.2	Very high	81 Å²	81	32 Å²	32	31%	0.306	16%	0.163	S	C	.	.	H	α-helix	trans	-66.6	-38.6	175.1	-62.4	174.2	78.8	-165.5	6.2	112.2	M299 Y300 K301 D306 F307 P490 M491 E495	M299-R303 PolarHBondContact O-N 3.23Å; Y300-R303 WeakPolarHBondContact O-CB 3.24Å; Y300-R303 PolarHBondContact O-N 3.16Å; Y300-R303 VanDerWaalsContact O-N 3.14Å; K301-R303 VanDerWaalsContact C-N 3.32Å; K301-R303 PolarHBondContact O-N 3.37Å; R303-D306 WeakPolarHBondContact O-CB 3.43Å; R303-D306 PolarHBondContact O-N 3.26Å; R303-F307 PolarHBondContact O-N 2.98Å; R303-F307 VanDerWaalsContact O-N 3.15Å; R303-P490 PolarHBondContact NH2-O 3.23Å; R303-M491 HydrophobicContact CB-CE 3.41Å; R303-M491 VanDerWaalsContact CB-CE 3.41Å; R303-M491 HydrophobicContact CG-CE 4.48Å; R303-E495 IonicContact CZ-OE2 3.73Å; R303-E495 IonicContact NH1-OE1 2.69Å; R303-E495 PolarHBondContact NH1-OE1 3.24Å; R303-E495 IonicContact NH1-OE2 3.75Å; R303-E495 PolarHBondContact NH1-OE2 3.43Å; R303-E495 IonicContact NH2-OE2 3.92Å
304	I	98.4	Very high	95.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-65	-43.3	172.5	-61.7	174.8	0	0	0	110.4	Y300 K301 D306 F307 V308 F325 F365 M491 F496	Y300-I304 PolarHBondContact O-N 3.46Å; K301-I304 PolarHBondContact O-N 3.48Å; I304-D306 VanDerWaalsContact C-N 3.26Å; I304-D306 PolarHBondContact O-N 3.34Å; I304-F307 WeakPolarHBondContact O-CB 3.36Å; I304-F307 PolarHBondContact O-N 3.48Å; I304-V308 HydrophobicContact CG2-CG2 4.41Å; I304-V308 WeakPolarHBondContact O-CG2 3.39Å; I304-V308 PolarHBondContact O-N 2.96Å; I304-F325 HydrophobicContact CB-CD2 4.31Å; I304-F325 HydrophobicContact CB-CE2 4.17Å; I304-F325 HydrophobicContact CG2-CD1 3.9Å; I304-F325 HydrophobicContact CG2-CD2 3.83Å; I304-F325 HydrophobicContact CG2-CE1 3.93Å; I304-F325 HydrophobicContact CG2-CE2 3.82Å; I304-F325 HydrophobicContact CG2-CG 3.89Å; I304-F325 HydrophobicContact CG2-CZ 3.88Å; I304-F365 HydrophobicContact CG2-CE2 3.93Å; I304-F365 HydrophobicContact CG2-CZ 3.84Å; I304-M491 HydrophobicContact CG1-CE 3.9Å; I304-M491 HydrophobicContact CG1-SD 4.02Å; I304-F496 HydrophobicContact CD1-CD2 3.86Å; I304-F496 HydrophobicContact CD1-CE2 4.04Å; I304-F496 HydrophobicContact CG1-CD2 4.18Å; I304-F496 HydrophobicContact CG1-CE2 4.46Å
305	Q	98	Very high	96	Very high	13 Å²	13	32.8 Å²	32.8	6%	0.061	18%	0.177	C	C	.	.	H	α-helix	trans	-58.3	-39.1	175.3	-75.4	178.4	-21.6	0	0	111.6	K301 A302 V308 R309 L320 E321 F325	K301-Q305 WeakPolarHBondContact O-CG 2.96Å; K301-Q305 PolarHBondContact O-N 2.89Å; A302-Q305 WeakPolarHBondContact O-CB 3.45Å; A302-Q305 PolarHBondContact O-N 2.85Å; Q305-V308 PolarHBondContact O-N 3.03Å; Q305-R309 WeakPolarHBondContact O-CG 3.38Å; Q305-R309 PolarHBondContact O-N 2.97Å; Q305-L320 HydrophobicContact CB-CD1 4.32Å; Q305-L320 HydrophobicContact CG-CB 4.3Å; Q305-L320 PolarHBondContact NE2-O 3.35Å; Q305-E321 PolarHBondContact NE2-OE1 3.01Å; Q305-F325 HydrophobicContact CG-CE2 3.85Å; Q305-F325 HydrophobicContact CG-CZ 3.8Å
306	D	96.3	Very high	96	Very high	51 Å²	51	31.5 Å²	31.5	27%	0.273	17%	0.169	S	C	.	.	H	α-helix	trans	-62.3	-45.8	174.9	-81.2	-11.7	0	0	0	112.4	A302 R303 I304 V308 R309 G310 R386	A302-D306 PolarHBondContact O-N 3.44Å; R303-D306 WeakPolarHBondContact O-CB 3.43Å; R303-D306 PolarHBondContact O-N 3.26Å; I304-D306 VanDerWaalsContact C-N 3.26Å; I304-D306 PolarHBondContact O-N 3.34Å; D306-V308 VanDerWaalsContact C-N 3.3Å; D306-V308 PolarHBondContact O-N 3.28Å; D306-R309 PolarHBondContact O-N 3.43Å; D306-R309 IonicContact OD1-CZ 3.82Å; D306-R309 IonicContact OD1-NH1 3.49Å; D306-R309 PolarHBondContact OD1-NH1 3.04Å; D306-G310 PolarHBondContact O-N 3.21Å; D306-G310 VanDerWaalsContact O-N 3.15Å; D306-R386 WeakPolarHBondContact O-CD 3.37Å; D306-R386 IonicContact OD2-NH1 2.81Å
307	F	97.5	Very high	96	Very high	5 Å²	5	33.7 Å²	33.7	2%	0.022	18%	0.181	C	C	.	.	H	α-helix	trans	-56.8	-46.2	172.4	168.2	-96.3	0	0	0	111.3	R303 I304 R309 G310 H311 F365 T379 Q383 T445 I476 L488 L489	R303-F307 PolarHBondContact O-N 2.98Å; R303-F307 VanDerWaalsContact O-N 3.15Å; I304-F307 WeakPolarHBondContact O-CB 3.36Å; I304-F307 PolarHBondContact O-N 3.48Å; F307-R309 PolarHBondContact O-N 3.09Å; F307-G310 CarbonylContact O-C 3.52Å; F307-G310 PolarHBondContact O-N 2.84Å; F307-G310 VanDerWaalsContact O-N 3.13Å; F307-H311 HydrophobicContact CE1-CB 4.12Å; F307-H311 HydrophobicContact CE2-CB 4.5Å; F307-H311 HydrophobicContact CZ-CB 4.06Å; F307-H311 AromaticContact CZ-CG 4Å; F307-H311 AromaticContact CZ-ND1 3.76Å; F307-H311 WeakPolarHBondContact O-CB 3.22Å; F307-H311 PolarHBondContact O-N 2.79Å; F307-F365 AromaticContact CD1-CE1 3.88Å; F307-F365 HydrophobicContact CD1-CE1 3.88Å; F307-F365 HydrophobicContact CD1-CZ 4.03Å; F307-F365 AromaticContact CE1-CE1 3.59Å; F307-F365 HydrophobicContact CE1-CE1 3.59Å; F307-F365 HydrophobicContact CE1-CZ 4.09Å; F307-T379 HydrophobicContact CE2-CG2 4.02Å; F307-T379 HydrophobicContact CZ-CG2 4.44Å; F307-Q383 PolarHBondContact O-NE2 2.75Å; F307-T445 HydrophobicContact CZ-CG2 3.98Å; F307-I476 HydrophobicContact CE1-CD1 3.76Å; F307-I476 HydrophobicContact CE1-CG2 4.33Å; F307-I476 HydrophobicContact CZ-CG2 4.32Å; F307-L488 WeakPolarHBondContact CD2-O 3.24Å; F307-L488 HydrophobicContact CE2-CB 4.29Å; F307-L489 HydrophobicContact CB-CD1 3.75Å; F307-L489 HydrophobicContact CD2-CB 4.15Å; F307-L489 HydrophobicContact CG-CB 4.49Å; F307-L489 HydrophobicContact CG-CD1 4.07Å
308	V	98.1	Very high	96	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62.5	-41.2	179.6	172	0	0	0	0	111.8	I304 Q305 D306 G310 H311 F312 F318 L320 F325 V363 F365	I304-V308 HydrophobicContact CG2-CG2 4.41Å; I304-V308 WeakPolarHBondContact O-CG2 3.39Å; I304-V308 PolarHBondContact O-N 2.96Å; Q305-V308 PolarHBondContact O-N 3.03Å; D306-V308 VanDerWaalsContact C-N 3.3Å; D306-V308 PolarHBondContact O-N 3.28Å; V308-G310 VanDerWaalsContact C-N 3.26Å; V308-G310 PolarHBondContact O-N 3.03Å; V308-H311 PolarHBondContact O-N 2.93Å; V308-F312 HydrophobicContact CG1-CD2 3.8Å; V308-F312 HydrophobicContact CG1-CE2 4.31Å; V308-F312 WeakPolarHBondContact O-CB 3.21Å; V308-F312 WeakPolarHBondContact O-CD2 3.1Å; V308-F312 PolarHBondContact O-N 2.91Å; V308-F318 HydrophobicContact CG1-CE2 4.17Å; V308-F318 HydrophobicContact CG1-CZ 4.04Å; V308-L320 HydrophobicContact CB-CD2 4.49Å; V308-L320 HydrophobicContact CG1-CD2 3.83Å; V308-F325 HydrophobicContact CG2-CE1 3.84Å; V308-F325 HydrophobicContact CG2-CZ 4.33Å; V308-V363 HydrophobicContact CG2-CG1 4.34Å; V308-F365 HydrophobicContact CG2-CZ 4.25Å
309	R	96.4	Very high	96.1	Very high	87 Å²	87	35.1 Å²	35.1	33%	0.328	18%	0.181	S	C	.	.	H	α-helix	trans	-56	-43.1	173.6	-72.3	174.9	-174.7	103.5	9.2	111.4	Q305 D306 F307 Y313 L316 L320 R386	Q305-R309 WeakPolarHBondContact O-CG 3.38Å; Q305-R309 PolarHBondContact O-N 2.97Å; D306-R309 PolarHBondContact O-N 3.43Å; D306-R309 IonicContact OD1-CZ 3.82Å; D306-R309 IonicContact OD1-NH1 3.49Å; D306-R309 PolarHBondContact OD1-NH1 3.04Å; F307-R309 PolarHBondContact O-N 3.09Å; R309-Y313 PolarHBondContact O-N 3.07Å; R309-L316 HydrophobicContact CG-CD2 4.03Å; R309-L320 HydrophobicContact CG-CD1 3.61Å; R309-R386 HydrophobicContact CB-CG 4.25Å
310	G	95.7	Very high	96.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-72.1	-40.9	177.5	0	0	0	0	0	113.2	D306 F307 V308 Y313 G382	D306-G310 PolarHBondContact O-N 3.21Å; D306-G310 VanDerWaalsContact O-N 3.15Å; F307-G310 CarbonylContact O-C 3.52Å; F307-G310 PolarHBondContact O-N 2.84Å; F307-G310 VanDerWaalsContact O-N 3.13Å; V308-G310 VanDerWaalsContact C-N 3.26Å; V308-G310 PolarHBondContact O-N 3.03Å; G310-Y313 WeakPolarHBondContact O-CD1 3.49Å; G310-Y313 PolarHBondContact O-N 2.75Å; G310-G382 CarbonylContact O-C 3.58Å; G310-G382 WeakPolarHBondContact O-CA 3.33Å
311	H	97.3	Very high	96	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-71.2	-33.9	-177.9	-165.5	82.3	0	0	0	112.7	F307 V308 T379 P442	F307-H311 HydrophobicContact CE1-CB 4.12Å; F307-H311 HydrophobicContact CE2-CB 4.5Å; F307-H311 HydrophobicContact CZ-CB 4.06Å; F307-H311 AromaticContact CZ-CG 4Å; F307-H311 AromaticContact CZ-ND1 3.76Å; F307-H311 WeakPolarHBondContact O-CB 3.22Å; F307-H311 PolarHBondContact O-N 2.79Å; V308-H311 PolarHBondContact O-N 2.93Å; H311-T379 PolarHBondContact CE1-OG1 3.46Å; H311-T379 VanDerWaalsContact CE1-OG1 3.22Å; H311-T379 VanDerWaalsContact ND1-CG2 3.29Å; H311-T379 WeakPolarHBondContact ND1-CG2 3.44Å; H311-T379 PolarHBondContact ND1-OG1 3.27Å; H311-T379 VanDerWaalsContact ND1-OG1 3.13Å; H311-P442 PolarHBondContact CE1-O 2.67Å; H311-P442 PolarHBondContact NE2-O 3.39Å
312	F	96.6	Very high	96	Very high	1 Å²	1	37.8 Å²	37.8	0%	0.004	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	23.9	178.5	-69.4	-99.4	0	0	0	112.9	V308 G314 H315 L316 F318 P441 N467 K474 I476	V308-F312 HydrophobicContact CG1-CD2 3.8Å; V308-F312 HydrophobicContact CG1-CE2 4.31Å; V308-F312 WeakPolarHBondContact O-CB 3.21Å; V308-F312 WeakPolarHBondContact O-CD2 3.1Å; V308-F312 PolarHBondContact O-N 2.91Å; F312-G314 PolarHBondContact O-N 3.4Å; F312-H315 CarbonylContact O-C 3.34Å; F312-H315 VanDerWaalsContact O-C 3.23Å; F312-H315 WeakPolarHBondContact O-CA 3.28Å; F312-H315 PolarHBondContact O-N 2.94Å; F312-L316 HydrophobicContact CB-CD1 4.44Å; F312-L316 PolarHBondContact O-N 3.01Å; F312-F318 HydrophobicContact CB-CE1 4.46Å; F312-F318 HydrophobicContact CB-CZ 4.42Å; F312-F318 AromaticContact CD1-CE1 3.9Å; F312-F318 HydrophobicContact CD1-CE1 3.9Å; F312-F318 HydrophobicContact CD1-CZ 4.12Å; F312-F318 HydrophobicContact CD2-CZ 4.44Å; F312-F318 HydrophobicContact CE1-CE1 4.48Å; F312-F318 HydrophobicContact CG-CE1 4.21Å; F312-F318 HydrophobicContact CG-CZ 4.07Å; F312-P441 HydrophobicContact CB-CG 4.48Å; F312-P441 HydrophobicContact CD1-CB 3.65Å; F312-P441 HydrophobicContact CD1-CG 3.48Å; F312-P441 VanDerWaalsContact CD1-CG 3.48Å; F312-P441 HydrophobicContact CE1-CB 3.68Å; F312-P441 HydrophobicContact CE1-CG 3.88Å; F312-P441 HydrophobicContact CG-CB 4.17Å; F312-P441 HydrophobicContact CG-CG 4.17Å; F312-P441 HydrophobicContact CZ-CB 4.24Å; F312-N467 HydrophobicContact CE1-CB 4.09Å; F312-K474 HydrophobicContact CE1-CB 3.97Å; F312-K474 HydrophobicContact CE1-CD 4.03Å; F312-K474 HydrophobicContact CE1-CG 3.85Å; F312-K474 HydrophobicContact CZ-CB 3.65Å; F312-K474 HydrophobicContact CZ-CG 3.98Å; F312-I476 HydrophobicContact CE2-CD1 3.87Å; F312-I476 HydrophobicContact CE2-CG1 4.42Å; F312-I476 HydrophobicContact CZ-CD1 4.49Å
313	Y	93.4	Very high	96	Very high	10 Å²	10	35.8 Å²	35.8	4%	0.039	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	137	177.3	80.8	-80.8	0	0	0	111.8	R309 G310 H315 E378 G382 V385 R437	R309-Y313 PolarHBondContact O-N 3.07Å; G310-Y313 WeakPolarHBondContact O-CD1 3.49Å; G310-Y313 PolarHBondContact O-N 2.75Å; Y313-H315 PolarHBondContact O-N 3.11Å; Y313-H315 VanDerWaalsContact O-N 3.12Å; Y313-H315 PolarHBondContact O-ND1 3.48Å; Y313-E378 PolarHBondContact OH-OE2 3.28Å; Y313-G382 VanDerWaalsContact CD1-CA 3.42Å; Y313-V385 HydrophobicContact CD2-CG1 4.45Å; Y313-R437 HydrophobicContact CD2-CB 4.42Å; Y313-R437 HydrophobicContact CE2-CB 3.81Å; Y313-R437 HydrophobicContact CE2-CG 4.15Å
314	G	91.9	Very high	96.1	Very high	35 Å²	35	32.1 Å²	32.1	36%	0.361	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	-4.8	-173.5	0	0	0	0	0	115.5	F312 T435 R469	F312-G314 PolarHBondContact O-N 3.4Å; G314-T435 WeakPolarHBondContact CA-O 3.47Å; G314-R469 PolarHBondContact O-NH2 2.95Å
315	H	94	Very high	96.1	Very high	16 Å²	16	32.1 Å²	32.1	7%	0.074	16%	0.162	C	C	.	.			trans	-133	15.8	-177.2	-68.1	79.5	0	0	0	112.6	F312 Y313 D317 S439 P441	F312-H315 CarbonylContact O-C 3.34Å; F312-H315 VanDerWaalsContact O-C 3.23Å; F312-H315 WeakPolarHBondContact O-CA 3.28Å; F312-H315 PolarHBondContact O-N 2.94Å; Y313-H315 PolarHBondContact O-N 3.11Å; Y313-H315 VanDerWaalsContact O-N 3.12Å; Y313-H315 PolarHBondContact O-ND1 3.48Å; H315-D317 PolarHBondContact O-N 2.75Å; H315-S439 PolarHBondContact CE1-O 3.39Å; H315-P441 HydrophobicContact CB-CG 3.65Å
316	L	91.1	Very high	96.2	Very high	75 Å²	75	31.5 Å²	31.5	39%	0.393	16%	0.16	S	C	.	.			trans	-81.1	72.1	176.6	-168.6	70.5	0	0	0	109.5	R309 F312 F318 L320	R309-L316 HydrophobicContact CG-CD2 4.03Å; F312-L316 HydrophobicContact CB-CD1 4.44Å; F312-L316 PolarHBondContact O-N 3.01Å; L316-F318 HydrophobicContact CD1-CD2 4.38Å; L316-F318 HydrophobicContact CD1-CE1 4.04Å; L316-F318 HydrophobicContact CD1-CE2 3.88Å; L316-F318 HydrophobicContact CD1-CZ 3.69Å; L316-L320 HydrophobicContact CD1-CD1 4.41Å; L316-L320 HydrophobicContact CD1-CD2 4.14Å; L316-L320 HydrophobicContact CD1-CG 4.28Å; L316-L320 HydrophobicContact CD2-CD1 4.32Å
317	D	92.7	Very high	96.3	Very high	78 Å²	78	29.1 Å²	29.1	42%	0.417	15%	0.147	S	C	.	.			trans	-99.6	19.5	-179.7	61.7	-7.8	0	0	0	113.1	H315 R469	H315-D317 PolarHBondContact O-N 2.75Å; D317-R469 WeakPolarHBondContact OD2-CB 3.31Å; D317-R469 WeakPolarHBondContact OD2-CD 3.41Å; D317-R469 WeakPolarHBondContact OD2-CG 3.5Å
318	F	96.6	Very high	96.4	Very high	19 Å²	19	29 Å²	29	8%	0.083	15%	0.146	C	C	.	.	S	Bend	trans	-134.6	152.6	-179.1	57	-89.7	0	0	0	112.1	V308 F312 L316 L320 T323 T361 V363	V308-F318 HydrophobicContact CG1-CE2 4.17Å; V308-F318 HydrophobicContact CG1-CZ 4.04Å; F312-F318 HydrophobicContact CB-CE1 4.46Å; F312-F318 HydrophobicContact CB-CZ 4.42Å; F312-F318 AromaticContact CD1-CE1 3.9Å; F312-F318 HydrophobicContact CD1-CE1 3.9Å; F312-F318 HydrophobicContact CD1-CZ 4.12Å; F312-F318 HydrophobicContact CD2-CZ 4.44Å; F312-F318 HydrophobicContact CE1-CE1 4.48Å; F312-F318 HydrophobicContact CG-CE1 4.21Å; F312-F318 HydrophobicContact CG-CZ 4.07Å; L316-F318 HydrophobicContact CD1-CD2 4.38Å; L316-F318 HydrophobicContact CD1-CE1 4.04Å; L316-F318 HydrophobicContact CD1-CE2 3.88Å; L316-F318 HydrophobicContact CD1-CZ 3.69Å; F318-L320 HydrophobicContact CD2-CD2 4.34Å; F318-L320 HydrophobicContact CE2-CD2 3.8Å; F318-T323 WeakPolarHBondContact CD2-OG1 3.15Å; F318-T323 HydrophobicContact CE2-CG2 4.44Å; F318-T361 HydrophobicContact CB-CG2 4.28Å; F318-T361 WeakPolarHBondContact CB-OG1 3.43Å; F318-T361 HydrophobicContact CD1-CG2 4.46Å; F318-T361 HydrophobicContact CD2-CG2 3.79Å; F318-T361 HydrophobicContact CE2-CG2 4.19Å; F318-T361 HydrophobicContact CG-CG2 3.93Å; F318-V363 HydrophobicContact CE2-CG2 4.47Å
319	D	96.8	Very high	96.3	Very high	76 Å²	76	29.2 Å²	29.2	41%	0.406	15%	0.149	S	C	.	.			trans	-80.9	120.7	-178.8	179.5	6.3	0	0	0	111.6	E321 K322 T323	D319-E321 VanDerWaalsContact C-N 3.28Å; D319-E321 PolarHBondContact O-N 3.23Å; D319-E321 WeakPolarHBondContact OD1-CB 3.43Å; D319-E321 PolarHBondContact OD1-N 2.74Å; D319-K322 HydrophobicContact CB-CB 4.3Å; D319-K322 CarbonylContact O-C 3.23Å; D319-K322 PolarHBondContact O-N 2.87Å; D319-K322 WeakPolarHBondContact OD2-CG 3.45Å; D319-T323 PolarHBondContact O-N 2.63Å; D319-T323 VanDerWaalsContact O-N 3.15Å; D319-T323 PolarHBondContact O-OG1 3.16Å
320	L	97.1	Very high	96.2	Very high	13 Å²	13	26.1 Å²	26.1	7%	0.068	14%	0.144	C	C	.	.	S	Bend	trans	-70.8	-19.9	179.4	-68.6	175.1	0	0	0	113.6	Q305 V308 R309 L316 F318 T323	Q305-L320 HydrophobicContact CB-CD1 4.32Å; Q305-L320 HydrophobicContact CG-CB 4.3Å; Q305-L320 PolarHBondContact NE2-O 3.35Å; V308-L320 HydrophobicContact CB-CD2 4.49Å; V308-L320 HydrophobicContact CG1-CD2 3.83Å; R309-L320 HydrophobicContact CG-CD1 3.61Å; L316-L320 HydrophobicContact CD1-CD1 4.41Å; L316-L320 HydrophobicContact CD1-CD2 4.14Å; L316-L320 HydrophobicContact CD1-CG 4.28Å; L316-L320 HydrophobicContact CD2-CD1 4.32Å; F318-L320 HydrophobicContact CD2-CD2 4.34Å; F318-L320 HydrophobicContact CE2-CD2 3.8Å; L320-T323 PolarHBondContact O-N 2.96Å
321	E	95.9	Very high	96	Very high	98 Å²	98	32.4 Å²	32.4	46%	0.458	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-30.4	173	-69.7	-54.3	114.9	0	0	111.8	Q305 D319 T323 R579	Q305-E321 PolarHBondContact NE2-OE1 3.01Å; D319-E321 VanDerWaalsContact C-N 3.28Å; D319-E321 PolarHBondContact O-N 3.23Å; D319-E321 WeakPolarHBondContact OD1-CB 3.43Å; D319-E321 PolarHBondContact OD1-N 2.74Å; E321-T323 VanDerWaalsContact C-N 3.35Å; E321-R579 IonicContact OE2-NH1 3.66Å
322	K	97.3	Very high	95.9	Very high	93 Å²	93	35 Å²	35	40%	0.404	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	15	172.7	-62	-178.8	-178.7	-175	0	113.1	D319 D359 V360 T361	D319-K322 HydrophobicContact CB-CB 4.3Å; D319-K322 CarbonylContact O-C 3.23Å; D319-K322 PolarHBondContact O-N 2.87Å; D319-K322 WeakPolarHBondContact OD2-CG 3.45Å; K322-D359 HydrophobicContact CD-CB 4.38Å; K322-D359 VanDerWaalsContact CD-OD2 3.31Å; K322-D359 WeakPolarHBondContact CD-OD2 3.1Å; K322-D359 WeakPolarHBondContact CE-OD2 3.48Å; K322-D359 IonicContact NZ-OD2 3.93Å; K322-D359 PolarHBondContact NZ-OD2 3.49Å; K322-V360 WeakPolarHBondContact O-CA 3.29Å; K322-T361 PolarHBondContact O-N 3.41Å; K322-T361 VanDerWaalsContact O-N 3.09Å
323	T	98.6	Very high	95.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	129.2	176	-62.5	0	0	0	0	111.3	F318 D319 L320 E321 F325 T361 V363	F318-T323 WeakPolarHBondContact CD2-OG1 3.15Å; F318-T323 HydrophobicContact CE2-CG2 4.44Å; D319-T323 PolarHBondContact O-N 2.63Å; D319-T323 VanDerWaalsContact O-N 3.15Å; D319-T323 PolarHBondContact O-OG1 3.16Å; L320-T323 PolarHBondContact O-N 2.96Å; E321-T323 VanDerWaalsContact C-N 3.35Å; T323-F325 HydrophobicContact CG2-CD1 4.31Å; T323-F325 HydrophobicContact CG2-CE1 3.73Å; T323-F325 HydrophobicContact CG2-CZ 4.18Å; T323-T361 CarbonylContact C-O 3.51Å; T323-T361 VanDerWaalsContact CA-O 3.24Å; T323-T361 WeakPolarHBondContact CA-O 3.46Å; T323-V363 HydrophobicContact CG2-CB 4.39Å; T323-V363 HydrophobicContact CG2-CG2 3.72Å
324	L	98.8	Very high	95.9	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.016	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	138.2	173.7	-58.3	178.7	0	0	0	110.1	L326 V360 T361 V362 V363 H501 F574 C575	L324-L326 HydrophobicContact CB-CD1 4.14Å; L324-V360 HydrophobicContact CD1-CG1 3.94Å; L324-V360 HydrophobicContact CG-CG1 4.1Å; L324-T361 PolarHBondContact N-O 2.77Å; L324-V362 WeakPolarHBondContact O-CA 3.15Å; L324-V363 PolarHBondContact O-N 3.24Å; L324-H501 HydrophobicContact CD2-CB 4.46Å; L324-F574 HydrophobicContact CD1-CD1 4.06Å; L324-F574 HydrophobicContact CD1-CE1 4.11Å; L324-C575 HydrophobicContact CD1-CB 4.42Å
325	F	98.9	Very high	95.9	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	112.8	177.9	-60.7	-51.7	0	0	0	109.4	K301 I304 Q305 V308 T323 V363 F365 C500 H501 L502	K301-F325 HydrophobicContact CG-CD2 4.11Å; K301-F325 HydrophobicContact CG-CE2 3.85Å; I304-F325 HydrophobicContact CB-CD2 4.31Å; I304-F325 HydrophobicContact CB-CE2 4.17Å; I304-F325 HydrophobicContact CG2-CD1 3.9Å; I304-F325 HydrophobicContact CG2-CD2 3.83Å; I304-F325 HydrophobicContact CG2-CE1 3.93Å; I304-F325 HydrophobicContact CG2-CE2 3.82Å; I304-F325 HydrophobicContact CG2-CG 3.89Å; I304-F325 HydrophobicContact CG2-CZ 3.88Å; Q305-F325 HydrophobicContact CG-CE2 3.85Å; Q305-F325 HydrophobicContact CG-CZ 3.8Å; V308-F325 HydrophobicContact CG2-CE1 3.84Å; V308-F325 HydrophobicContact CG2-CZ 4.33Å; T323-F325 HydrophobicContact CG2-CD1 4.31Å; T323-F325 HydrophobicContact CG2-CE1 3.73Å; T323-F325 HydrophobicContact CG2-CZ 4.18Å; F325-V363 WeakPolarHBondContact CA-O 3.41Å; F325-V363 HydrophobicContact CD1-CB 3.92Å; F325-V363 HydrophobicContact CD1-CG1 4.43Å; F325-V363 HydrophobicContact CE1-CB 4.09Å; F325-V363 HydrophobicContact CE1-CG2 4.34Å; F325-F365 HydrophobicContact CD1-CE2 4.03Å; F325-C500 HydrophobicContact CB-CB 4.46Å; F325-H501 AromaticContact CD2-CE1 3.72Å; F325-H501 AromaticContact CD2-ND1 3.82Å; F325-H501 PolarHBondContact N-ND1 3.04Å; F325-H501 PolarHBondContact O-N 3.28Å; F325-L502 PolarHBondContact O-N 3.29Å
326	L	98.9	Very high	96	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	152.7	174.8	-86.9	56.2	0	0	0	108.5	L324 V362 V363 V364 F365 L502 V504 L571	L324-L326 HydrophobicContact CB-CD1 4.14Å; L326-V362 HydrophobicContact CB-CG1 4.43Å; L326-V362 HydrophobicContact CD1-CG1 4.08Å; L326-V362 HydrophobicContact CD2-CG1 3.87Å; L326-V362 HydrophobicContact CG-CG1 4.35Å; L326-V363 PolarHBondContact N-O 3.29Å; L326-V364 HydrophobicContact CB-CG1 4.34Å; L326-V364 HydrophobicContact CB-CG2 4.18Å; L326-V364 CarbonylContact O-C 3.07Å; L326-V364 VanDerWaalsContact O-CA 3.31Å; L326-V364 WeakPolarHBondContact O-CA 3.42Å; L326-F365 PolarHBondContact O-N 3.38Å; L326-L502 VanDerWaalsContact CA-O 3.29Å; L326-L502 WeakPolarHBondContact CA-O 3.34Å; L326-L502 HydrophobicContact CD1-CB 4Å; L326-L502 HydrophobicContact CD2-CD2 4.19Å; L326-L502 HydrophobicContact CG-CB 3.99Å; L326-L502 HydrophobicContact CG-CD2 4.14Å; L326-L502 HydrophobicContact CG-CG 4.44Å; L326-V504 HydrophobicContact CD2-CG2 4.2Å; L326-V504 HydrophobicContact CG-CG2 4.25Å; L326-L571 HydrophobicContact CD2-CD2 3.82Å
327	F	98.8	Very high	96.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	154.5	175.3	76.9	-77	0	0	0	112.9	A329 F365 F496 V497 C500 L502 G503 V504 F505 C519	F327-A329 HydrophobicContact CD2-CB 4.02Å; F327-A329 HydrophobicContact CE2-CB 4.1Å; F327-F365 CarbonylContact C-O 3.51Å; F327-F365 VanDerWaalsContact CA-O 3.22Å; F327-F365 WeakPolarHBondContact CA-O 2.98Å; F327-F365 HydrophobicContact CB-CB 4Å; F327-F496 HydrophobicContact CB-CE1 3.75Å; F327-F496 HydrophobicContact CB-CZ 3.97Å; F327-F496 HydrophobicContact CD1-CE1 4.4Å; F327-F496 AromaticContact CD2-CE1 3.91Å; F327-F496 HydrophobicContact CD2-CE1 3.91Å; F327-F496 AromaticContact CG-CE1 3.76Å; F327-F496 HydrophobicContact CG-CE1 3.76Å; F327-F496 HydrophobicContact CG-CZ 4.43Å; F327-V497 HydrophobicContact CE1-CG1 4.32Å; F327-V497 HydrophobicContact CE1-CG2 4.48Å; F327-V497 HydrophobicContact CE2-CG2 3.91Å; F327-V497 HydrophobicContact CZ-CB 4.19Å; F327-V497 HydrophobicContact CZ-CG1 3.91Å; F327-V497 HydrophobicContact CZ-CG2 3.64Å; F327-C500 HydrophobicContact CD1-CB 3.59Å; F327-C500 HydrophobicContact CE1-CB 3.85Å; F327-L502 PolarHBondContact N-O 3.2Å; F327-G503 CarbonylContact O-C 3.59Å; F327-V504 PolarHBondContact O-N 3.12Å; F327-F505 HydrophobicContact CD2-CE1 4.42Å; F327-F505 HydrophobicContact CD2-CZ 4.45Å; F327-F505 AromaticContact CE2-CE1 4Å; F327-F505 HydrophobicContact CE2-CE1 4Å; F327-F505 AromaticContact CE2-CZ 3.73Å; F327-F505 HydrophobicContact CE2-CZ 3.73Å; F327-F505 AromaticContact CZ-CZ 3.8Å; F327-F505 HydrophobicContact CZ-CZ 3.8Å; F327-C519 VanDerWaalsContact CZ-SG 3.53Å
328	I	98.7	Very high	96.4	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.01	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	138	162.8	-173.2	172.7	0	0	0	107.5	F342 F365 F366 I367 M368 V504 F505	I328-F342 HydrophobicContact CB-CD1 4Å; I328-F342 HydrophobicContact CB-CE1 3.94Å; I328-F342 HydrophobicContact CD1-CD1 4.24Å; I328-F342 HydrophobicContact CG2-CD1 3.86Å; I328-F342 HydrophobicContact CG2-CE1 3.88Å; I328-F365 PolarHBondContact N-O 2.95Å; I328-F366 HydrophobicContact CG2-CB 4.14Å; I328-F366 HydrophobicContact CG2-CD1 3.24Å; I328-F366 HydrophobicContact CG2-CD2 4.42Å; I328-F366 HydrophobicContact CG2-CE1 3.61Å; I328-F366 HydrophobicContact CG2-CG 3.69Å; I328-F366 HydrophobicContact CG2-CZ 4.32Å; I328-I367 PolarHBondContact O-N 3.23Å; I328-M368 HydrophobicContact CD1-CE 3.58Å; I328-M368 HydrophobicContact CG1-CE 3.68Å; I328-M368 HydrophobicContact CG2-CE 4.15Å; I328-V504 WeakPolarHBondContact CB-O 3.47Å; I328-V504 VanDerWaalsContact CG1-O 3.28Å; I328-V504 WeakPolarHBondContact CG1-O 3.33Å; I328-F505 HydrophobicContact CG1-CD1 4.23Å
329	A	97	Very high	96.5	Very high	6 Å²	6	30.3 Å²	30.3	5%	0.05	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	148.5	-179.1	0	0	0	0	0	110.6	F327 I367 Y493 T515	F327-A329 HydrophobicContact CD2-CB 4.02Å; F327-A329 HydrophobicContact CE2-CB 4.1Å; A329-I367 VanDerWaalsContact CA-O 3.31Å; A329-I367 WeakPolarHBondContact CA-O 3.22Å; A329-I367 HydrophobicContact CB-CB 3.97Å; A329-Y493 HydrophobicContact CB-CE2 3.87Å; A329-T515 HydrophobicContact CB-CG2 4.14Å
330	G	93.6	Very high	96.4	Very high	22 Å²	22	28.5 Å²	28.5	23%	0.227	14%	0.136	C	C	.	.	S	Bend	trans	152	-169.9	174.6	0	0	0	0	0	113.1	I367 P369	G330-I367 PolarHBondContact N-O 3.41Å; G330-I367 VanDerWaalsContact N-O 3.17Å; G330-P369 WeakPolarHBondContact O-CD 3.42Å
331	R	92.3	Very high	96.4	Very high	132 Å²	132	28.3 Å²	28.3	50%	0.498	14%	0.135	S	C	.	.	S	Bend	trans	-58.8	148.2	170.5	-60.9	-169.8	-56.9	-143.2	-1.8	109.9	E333	R331-E333 HydrophobicContact CB-CG 4.31Å; R331-E333 IonicContact CZ-OE1 2.78Å; R331-E333 IonicContact NE-OE1 3.73Å; R331-E333 PolarHBondContact NE-OE1 3.48Å; R331-E333 IonicContact NH2-OE1 3.45Å; R331-E333 PolarHBondContact NH2-OE1 2.81Å; R331-E333 IonicContact NH2-OE2 4Å; R331-E333 PolarHBondContact O-N 2.87Å
332	Y	94.9	Very high	96.6	Very high	54 Å²	54	23.7 Å²	23.7	21%	0.212	11%	0.113	C	C	.	.	S	Bend	trans	-75.1	76.4	178.7	-154.5	-42.1	0	0	0	110.9	M368 P369 A370 M448 D454 P455 I456	Y332-M368 HydrophobicContact CD2-CB 3.89Å; Y332-M368 VanDerWaalsContact CD2-O 3.31Å; Y332-M368 WeakPolarHBondContact CD2-O 3.3Å; Y332-M368 HydrophobicContact CE2-CB 4.37Å; Y332-M368 HydrophobicContact CG-CB 4.13Å; Y332-P369 WeakPolarHBondContact CB-O 3.35Å; Y332-P369 WeakPolarHBondContact CD2-O 3.37Å; Y332-A370 HydrophobicContact CD2-CB 3.49Å; Y332-A370 VanDerWaalsContact CD2-CB 3.49Å; Y332-A370 HydrophobicContact CE2-CB 3.51Å; Y332-M448 HydrophobicContact CE2-CE 4.49Å; Y332-D454 PolarHBondContact OH-OD1 2.8Å; Y332-D454 PolarHBondContact OH-OD2 3.02Å; Y332-P455 HydrophobicContact CE1-CG 3.97Å; Y332-I456 HydrophobicContact CE1-CD1 3.88Å; Y332-I456 HydrophobicContact CE1-CG1 4.1Å; Y332-I456 HydrophobicContact CE2-CD1 4.35Å; Y332-I456 WeakPolarHBondContact OH-CB 3.46Å; Y332-I456 WeakPolarHBondContact OH-CD1 3.37Å; Y332-I456 VanDerWaalsContact OH-CG1 3.32Å; Y332-I456 WeakPolarHBondContact OH-CG1 3.33Å
333	E	94.2	Very high	96.6	Very high	32 Å²	32	19.2 Å²	19.2	15%	0.15	9%	0.094	C	C	.	.			trans	-122.3	91	174.6	-59.9	174.3	-154.2	0	0	109.1	R331 S335 N336 K337	R331-E333 HydrophobicContact CB-CG 4.31Å; R331-E333 IonicContact CZ-OE1 2.78Å; R331-E333 IonicContact NE-OE1 3.73Å; R331-E333 PolarHBondContact NE-OE1 3.48Å; R331-E333 IonicContact NH2-OE1 3.45Å; R331-E333 PolarHBondContact NH2-OE1 2.81Å; R331-E333 IonicContact NH2-OE2 4Å; R331-E333 PolarHBondContact O-N 2.87Å; E333-S335 PolarHBondContact O-N 2.99Å; E333-N336 HydrophobicContact CB-CB 3.87Å; E333-N336 PolarHBondContact O-N 3.32Å; E333-N336 VanDerWaalsContact OE2-CB 3.26Å; E333-N336 WeakPolarHBondContact OE2-CB 3.39Å; E333-N336 PolarHBondContact OE2-ND2 2.86Å; E333-K337 HydrophobicContact CB-CG 4.32Å; E333-K337 WeakPolarHBondContact O-CB 3.42Å; E333-K337 PolarHBondContact O-N 3.44Å
334	F	95.1	Very high	96.6	Very high	41 Å²	41	21.4 Å²	21.4	18%	0.18	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-52.7	-168.2	-178.1	-115.4	0	0	0	114	G338 A339 D340 L343 P455 I456 T459	F334-G338 PolarHBondContact O-N 3.07Å; F334-A339 HydrophobicContact CD2-CB 3.75Å; F334-A339 HydrophobicContact CE2-CB 4.08Å; F334-A339 WeakPolarHBondContact O-CB 3.44Å; F334-A339 PolarHBondContact O-N 3.45Å; F334-D340 HydrophobicContact CD1-CB 4.17Å; F334-D340 HydrophobicContact CE1-CB 3.58Å; F334-D340 HydrophobicContact CE2-CB 4.29Å; F334-D340 HydrophobicContact CZ-CB 3.63Å; F334-L343 HydrophobicContact CE2-CD1 4.04Å; F334-P455 HydrophobicContact CB-CB 4.15Å; F334-P455 HydrophobicContact CB-CG 3.91Å; F334-P455 HydrophobicContact CD1-CB 3.78Å; F334-P455 HydrophobicContact CD1-CG 4.48Å; F334-P455 HydrophobicContact CD2-CB 3.89Å; F334-P455 HydrophobicContact CD2-CG 4.14Å; F334-P455 HydrophobicContact CE1-CB 4.08Å; F334-P455 HydrophobicContact CE2-CB 4.22Å; F334-P455 HydrophobicContact CG-CB 3.67Å; F334-P455 HydrophobicContact CG-CG 3.94Å; F334-P455 HydrophobicContact CZ-CB 4.31Å; F334-I456 HydrophobicContact CD2-CG1 3.79Å; F334-I456 HydrophobicContact CE2-CG1 4.01Å; F334-T459 VanDerWaalsContact CZ-OG1 3.31Å; F334-T459 WeakPolarHBondContact CZ-OG1 3.31Å
335	S	93.7	Very high	96.6	Very high	31 Å²	31	21.3 Å²	21.3	22%	0.217	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-42.4	-179.9	-51.7	0	0	0	0	112.9	E333 K337 G338	E333-S335 PolarHBondContact O-N 2.99Å; S335-K337 PolarHBondContact O-N 3.41Å; S335-G338 WeakPolarHBondContact O-CA 3.25Å; S335-G338 PolarHBondContact O-N 3.22Å
336	N	94.4	Very high	96.6	Very high	8 Å²	8	21.3 Å²	21.3	4%	0.043	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-40.3	-176.8	-67.9	-11.4	0	0	0	112.3	C214 E333 G338 S507 Y508 Y509	C214-N336 WeakPolarHBondContact CB-OD1 3.44Å; C214-N336 PolarHBondContact O-OD1 2.91Å; E333-N336 HydrophobicContact CB-CB 3.87Å; E333-N336 PolarHBondContact O-N 3.32Å; E333-N336 VanDerWaalsContact OE2-CB 3.26Å; E333-N336 WeakPolarHBondContact OE2-CB 3.39Å; E333-N336 PolarHBondContact OE2-ND2 2.86Å; N336-G338 VanDerWaalsContact C-N 3.25Å; N336-S507 CarbonylContact O-C 3.47Å; N336-S507 VanDerWaalsContact O-CA 3.3Å; N336-S507 WeakPolarHBondContact O-CA 3.24Å; N336-S507 WeakPolarHBondContact O-CB 3.37Å; N336-Y508 PolarHBondContact O-N 3.39Å; N336-Y509 PolarHBondContact O-N 3.08Å
337	K	96.3	Very high	96.6	Very high	24 Å²	24	22.8 Å²	22.8	10%	0.104	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-3.3	174.1	-67	-54.5	-169	-174.1	0	113.4	E333 S335 A339 M368 E510	E333-K337 HydrophobicContact CB-CG 4.32Å; E333-K337 WeakPolarHBondContact O-CB 3.42Å; E333-K337 PolarHBondContact O-N 3.44Å; S335-K337 PolarHBondContact O-N 3.41Å; K337-A339 VanDerWaalsContact C-N 3.33Å; K337-A339 PolarHBondContact O-N 2.94Å; K337-M368 HydrophobicContact CB-CE 3.97Å; K337-E510 IonicContact NZ-OE1 3.68Å; K337-E510 PolarHBondContact NZ-OE1 3.29Å
338	G	96.7	Very high	96.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	23.1	176	0	0	0	0	0	114.4	F334 S335 N336 D340 I341 F342 P506	F334-G338 PolarHBondContact O-N 3.07Å; S335-G338 WeakPolarHBondContact O-CA 3.25Å; S335-G338 PolarHBondContact O-N 3.22Å; N336-G338 VanDerWaalsContact C-N 3.25Å; G338-D340 WeakPolarHBondContact CA-OD1 3.42Å; G338-D340 PolarHBondContact O-N 3.21Å; G338-I341 PolarHBondContact O-N 2.7Å; G338-F342 WeakPolarHBondContact O-CB 3.43Å; G338-F342 PolarHBondContact O-N 2.97Å; G338-P506 WeakPolarHBondContact CA-O 3.48Å; G338-P506 WeakPolarHBondContact O-CG 3.32Å
339	A	97.7	Very high	96.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62	-29.5	177.7	0	0	0	0	0	111.7	F334 K337 L343 F366 M368	F334-A339 HydrophobicContact CD2-CB 3.75Å; F334-A339 HydrophobicContact CE2-CB 4.08Å; F334-A339 WeakPolarHBondContact O-CB 3.44Å; F334-A339 PolarHBondContact O-N 3.45Å; K337-A339 VanDerWaalsContact C-N 3.33Å; K337-A339 PolarHBondContact O-N 2.94Å; A339-L343 WeakPolarHBondContact O-CB 3.48Å; A339-L343 WeakPolarHBondContact O-CD1 3.42Å; A339-L343 VanDerWaalsContact O-CG 3.26Å; A339-L343 WeakPolarHBondContact O-CG 3.39Å; A339-L343 PolarHBondContact O-N 3.44Å; A339-F366 HydrophobicContact CB-CE1 4.31Å; A339-M368 HydrophobicContact CB-CE 4.21Å; A339-M368 HydrophobicContact CB-SD 4.44Å
340	D	96.3	Very high	96.6	Very high	39 Å²	39	25.4 Å²	25.4	21%	0.209	12%	0.123	C	C	.	.	H	α-helix	trans	-58	-59.1	171.7	58	-14.5	0	0	0	112.9	F334 G338 F342 L343 E344	F334-D340 HydrophobicContact CD1-CB 4.17Å; F334-D340 HydrophobicContact CE1-CB 3.58Å; F334-D340 HydrophobicContact CE2-CB 4.29Å; F334-D340 HydrophobicContact CZ-CB 3.63Å; G338-D340 WeakPolarHBondContact CA-OD1 3.42Å; G338-D340 PolarHBondContact O-N 3.21Å; D340-F342 VanDerWaalsContact C-N 3.28Å; D340-F342 PolarHBondContact O-N 3.3Å; D340-L343 PolarHBondContact O-N 3.1Å; D340-E344 PolarHBondContact O-N 3.44Å; D340-E344 VanDerWaalsContact O-N 3.15Å
341	I	97.1	Very high	96.9	Very high	9 Å²	9	30.2 Å²	30.2	5%	0.046	14%	0.138	C	C	.	.	H	α-helix	trans	-63.6	-37.1	177.9	-72.7	-149.2	0	0	0	110.6	G338 S345 P506 R555 P560 L567	G338-I341 PolarHBondContact O-N 2.7Å; I341-S345 VanDerWaalsContact O-CB 3.29Å; I341-S345 WeakPolarHBondContact O-CB 3.28Å; I341-S345 PolarHBondContact O-N 3.38Å; I341-S345 PolarHBondContact O-OG 3.38Å; I341-P506 HydrophobicContact CG2-CB 4.49Å; I341-R555 VanDerWaalsContact CD1-NH2 3.29Å; I341-P560 HydrophobicContact CD1-CB 4.34Å; I341-L567 HydrophobicContact CG2-CD2 3.92Å
342	F	98.6	Very high	97.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63.5	-50.6	179	-172	-152.9	0	0	0	111.3	I328 G338 D340 E344 S345 L346 V364 F366 V504 P506 L567 L571	I328-F342 HydrophobicContact CB-CD1 4Å; I328-F342 HydrophobicContact CB-CE1 3.94Å; I328-F342 HydrophobicContact CD1-CD1 4.24Å; I328-F342 HydrophobicContact CG2-CD1 3.86Å; I328-F342 HydrophobicContact CG2-CE1 3.88Å; G338-F342 WeakPolarHBondContact O-CB 3.43Å; G338-F342 PolarHBondContact O-N 2.97Å; D340-F342 VanDerWaalsContact C-N 3.28Å; D340-F342 PolarHBondContact O-N 3.3Å; F342-E344 VanDerWaalsContact C-N 3.34Å; F342-E344 PolarHBondContact O-N 3.36Å; F342-S345 WeakPolarHBondContact O-CB 3.3Å; F342-S345 PolarHBondContact O-N 2.72Å; F342-S345 VanDerWaalsContact O-N 3.15Å; F342-L346 HydrophobicContact CD2-CD1 4.24Å; F342-L346 HydrophobicContact CD2-CD2 4.22Å; F342-L346 HydrophobicContact CD2-CG 3.94Å; F342-L346 HydrophobicContact CE1-CD1 4.32Å; F342-L346 HydrophobicContact CE2-CD1 4.03Å; F342-L346 HydrophobicContact CE2-CD2 3.59Å; F342-L346 HydrophobicContact CE2-CG 3.78Å; F342-L346 HydrophobicContact CG-CD1 4.47Å; F342-L346 HydrophobicContact CZ-CD1 4.08Å; F342-L346 HydrophobicContact CZ-CD2 4.09Å; F342-L346 HydrophobicContact CZ-CG 4.3Å; F342-L346 VanDerWaalsContact O-CG 3.29Å; F342-L346 WeakPolarHBondContact O-CG 3.24Å; F342-L346 PolarHBondContact O-N 2.83Å; F342-V364 HydrophobicContact CE1-CG1 3.49Å; F342-V364 VanDerWaalsContact CE1-CG1 3.49Å; F342-V364 HydrophobicContact CZ-CG1 3.44Å; F342-V364 VanDerWaalsContact CZ-CG1 3.44Å; F342-F366 AromaticContact CD1-CE1 3.81Å; F342-F366 HydrophobicContact CD1-CE1 3.81Å; F342-F366 AromaticContact CD1-CZ 3.64Å; F342-F366 HydrophobicContact CD1-CZ 3.64Å; F342-F366 HydrophobicContact CE1-CE1 4.37Å; F342-F366 HydrophobicContact CE1-CE2 4.42Å; F342-F366 AromaticContact CE1-CZ 3.96Å; F342-F366 HydrophobicContact CE1-CZ 3.96Å; F342-F366 HydrophobicContact CG-CZ 4.46Å; F342-V504 HydrophobicContact CD1-CG1 4.5Å; F342-V504 HydrophobicContact CD2-CB 4.31Å; F342-V504 HydrophobicContact CD2-CG1 3.59Å; F342-V504 HydrophobicContact CE1-CB 4.09Å; F342-V504 HydrophobicContact CE1-CG1 4.36Å; F342-V504 HydrophobicContact CE2-CB 3.77Å; F342-V504 HydrophobicContact CE2-CG1 3.43Å; F342-V504 VanDerWaalsContact CE2-CG1 3.43Å; F342-V504 HydrophobicContact CE2-CG2 4.01Å; F342-V504 HydrophobicContact CG-CG1 4.15Å; F342-V504 HydrophobicContact CZ-CB 3.63Å; F342-V504 HydrophobicContact CZ-CG1 3.84Å; F342-V504 HydrophobicContact CZ-CG2 3.9Å; F342-P506 HydrophobicContact CB-CG 3.96Å; F342-L567 HydrophobicContact CD2-CD2 4.29Å; F342-L571 HydrophobicContact CD2-CD1 4.45Å; F342-L571 HydrophobicContact CE2-CD1 4.03Å
343	L	98.6	Very high	97.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-59	-43.1	178.2	-76	166.9	0	0	0	112.4	F334 A339 D340 S345 L346 S347 F366 I456 T459 I460 I463	F334-L343 HydrophobicContact CE2-CD1 4.04Å; A339-L343 WeakPolarHBondContact O-CB 3.48Å; A339-L343 WeakPolarHBondContact O-CD1 3.42Å; A339-L343 VanDerWaalsContact O-CG 3.26Å; A339-L343 WeakPolarHBondContact O-CG 3.39Å; A339-L343 PolarHBondContact O-N 3.44Å; D340-L343 PolarHBondContact O-N 3.1Å; L343-S345 VanDerWaalsContact C-N 3.34Å; L343-S345 PolarHBondContact O-N 2.88Å; L343-L346 WeakPolarHBondContact O-CB 3.37Å; L343-L346 PolarHBondContact O-N 2.98Å; L343-S347 PolarHBondContact O-N 2.93Å; L343-S347 VanDerWaalsContact O-N 3.11Å; L343-F366 HydrophobicContact CD1-CE1 4.47Å; L343-F366 HydrophobicContact CD2-CE1 4.09Å; L343-F366 HydrophobicContact CD2-CE2 3.91Å; L343-F366 HydrophobicContact CD2-CZ 3.42Å; L343-F366 VanDerWaalsContact CD2-CZ 3.42Å; L343-F366 HydrophobicContact CG-CE1 3.97Å; L343-F366 HydrophobicContact CG-CZ 3.7Å; L343-I456 HydrophobicContact CD1-CG2 4.17Å; L343-T459 HydrophobicContact CB-CG2 3.81Å; L343-T459 HydrophobicContact CD1-CG2 3.66Å; L343-T459 HydrophobicContact CG-CG2 4.36Å; L343-I460 HydrophobicContact CD2-CD1 4.39Å; L343-I460 HydrophobicContact CD2-CG1 3.79Å; L343-I463 HydrophobicContact CB-CD1 4.09Å; L343-I463 HydrophobicContact CD2-CD1 4.42Å; L343-I463 WeakPolarHBondContact O-CD1 3.29Å
344	E	98.3	Very high	97.5	Very high	46 Å²	46	27.6 Å²	27.6	22%	0.215	13%	0.13	C	C	.	.	H	α-helix	trans	-62.3	-42.9	176	-172.4	59.4	-140.1	0	0	111.4	D340 F342 L346 S347 R348 R462	D340-E344 PolarHBondContact O-N 3.44Å; D340-E344 VanDerWaalsContact O-N 3.15Å; F342-E344 VanDerWaalsContact C-N 3.34Å; F342-E344 PolarHBondContact O-N 3.36Å; E344-L346 VanDerWaalsContact C-N 3.31Å; E344-L346 PolarHBondContact O-N 3.14Å; E344-S347 WeakPolarHBondContact O-CB 3.47Å; E344-S347 PolarHBondContact O-N 2.95Å; E344-R348 PolarHBondContact O-N 3.26Å; E344-R348 IonicContact OE1-NE 3.81Å; E344-R348 IonicContact OE1-NH2 3.24Å; E344-R462 IonicContact OE2-CZ 2.93Å; E344-R462 IonicContact OE2-NH1 3.71Å; E344-R462 PolarHBondContact OE2-NH1 3.32Å; E344-R462 IonicContact OE2-NH2 2.67Å; E344-R462 PolarHBondContact OE2-NH2 2.88Å
345	S	98.7	Very high	97.6	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-65.8	-32.2	177.3	-57.8	0	0	0	0	112.9	I341 F342 L343 R348 L349 C564 L567 T568	I341-S345 VanDerWaalsContact O-CB 3.29Å; I341-S345 WeakPolarHBondContact O-CB 3.28Å; I341-S345 PolarHBondContact O-N 3.38Å; I341-S345 PolarHBondContact O-OG 3.38Å; F342-S345 WeakPolarHBondContact O-CB 3.3Å; F342-S345 PolarHBondContact O-N 2.72Å; F342-S345 VanDerWaalsContact O-N 3.15Å; L343-S345 VanDerWaalsContact C-N 3.34Å; L343-S345 PolarHBondContact O-N 2.88Å; S345-R348 PolarHBondContact O-N 3.11Å; S345-L349 WeakPolarHBondContact O-CB 3.42Å; S345-L349 PolarHBondContact O-N 3.04Å; S345-C564 WeakPolarHBondContact OG-CA 3.34Å; S345-C564 PolarHBondContact OG-O 3.05Å; S345-L567 WeakPolarHBondContact OG-CD2 3.13Å; S345-T568 WeakPolarHBondContact CA-OG1 3.49Å; S345-T568 WeakPolarHBondContact CB-OG1 3.29Å; S345-T568 PolarHBondContact O-OG1 2.98Å; S345-T568 VanDerWaalsContact O-OG1 3.07Å
346	L	98.7	Very high	97.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-68.8	-36.2	173.9	-69.7	176.6	0	0	0	112.4	F342 L343 E344 L349 N350 V364 F366 L465 V473 V475 L571	F342-L346 HydrophobicContact CD2-CD1 4.24Å; F342-L346 HydrophobicContact CD2-CD2 4.22Å; F342-L346 HydrophobicContact CD2-CG 3.94Å; F342-L346 HydrophobicContact CE1-CD1 4.32Å; F342-L346 HydrophobicContact CE2-CD1 4.03Å; F342-L346 HydrophobicContact CE2-CD2 3.59Å; F342-L346 HydrophobicContact CE2-CG 3.78Å; F342-L346 HydrophobicContact CG-CD1 4.47Å; F342-L346 HydrophobicContact CZ-CD1 4.08Å; F342-L346 HydrophobicContact CZ-CD2 4.09Å; F342-L346 HydrophobicContact CZ-CG 4.3Å; F342-L346 VanDerWaalsContact O-CG 3.29Å; F342-L346 WeakPolarHBondContact O-CG 3.24Å; F342-L346 PolarHBondContact O-N 2.83Å; L343-L346 WeakPolarHBondContact O-CB 3.37Å; L343-L346 PolarHBondContact O-N 2.98Å; E344-L346 VanDerWaalsContact C-N 3.31Å; E344-L346 PolarHBondContact O-N 3.14Å; L346-L349 HydrophobicContact CD2-CD2 4.25Å; L346-L349 PolarHBondContact O-N 3.4Å; L346-N350 WeakPolarHBondContact O-CB 3.31Å; L346-N350 PolarHBondContact O-N 3.21Å; L346-V364 HydrophobicContact CD1-CB 4.13Å; L346-V364 HydrophobicContact CD1-CG1 3.91Å; L346-V364 HydrophobicContact CD1-CG2 3.92Å; L346-V364 HydrophobicContact CD2-CG2 3.73Å; L346-V364 HydrophobicContact CG-CG2 4.47Å; L346-F366 HydrophobicContact CD1-CE2 4.15Å; L346-F366 HydrophobicContact CD1-CZ 4.07Å; L346-L465 HydrophobicContact CB-CD1 4.08Å; L346-V473 HydrophobicContact CB-CG1 4.25Å; L346-V473 HydrophobicContact CD2-CG1 4.06Å; L346-V475 HydrophobicContact CD1-CG1 4.28Å; L346-L571 HydrophobicContact CD2-CD1 4.2Å
347	S	98.4	Very high	97.8	Very high	33 Å²	33	43.9 Å²	43.9	23%	0.231	20%	0.201	C	C	.	.	H	α-helix	trans	-61.1	-47.3	173.2	-175.6	0	0	0	0	110.9	L343 E344 L349 N350 F351	L343-S347 PolarHBondContact O-N 2.93Å; L343-S347 VanDerWaalsContact O-N 3.11Å; E344-S347 WeakPolarHBondContact O-CB 3.47Å; E344-S347 PolarHBondContact O-N 2.95Å; S347-L349 PolarHBondContact O-N 3.26Å; S347-N350 WeakPolarHBondContact O-CB 3.41Å; S347-N350 PolarHBondContact O-N 2.8Å; S347-F351 PolarHBondContact O-N 2.76Å
348	R	98.6	Very high	97.8	Very high	53 Å²	53	44 Å²	44	20%	0.2	21%	0.205	C	C	.	.	H	α-helix	trans	-62.7	-42.2	175.7	-61.4	174.3	-167.7	-162.5	-0.4	111.8	E344 S345 N350 F351 L352 D561 N565 T568	E344-R348 PolarHBondContact O-N 3.26Å; E344-R348 IonicContact OE1-NE 3.81Å; E344-R348 IonicContact OE1-NH2 3.24Å; S345-R348 PolarHBondContact O-N 3.11Å; R348-N350 PolarHBondContact O-N 3.15Å; R348-F351 WeakPolarHBondContact O-CB 3.46Å; R348-F351 PolarHBondContact O-N 3.13Å; R348-L352 WeakPolarHBondContact O-CG 3.45Å; R348-L352 PolarHBondContact O-N 3.03Å; R348-D561 IonicContact CZ-OD1 2.83Å; R348-D561 VanDerWaalsContact CZ-OD1 3.24Å; R348-D561 PolarHBondContact NH1-O 2.83Å; R348-D561 IonicContact NH1-OD1 2.82Å; R348-D561 PolarHBondContact NH1-OD1 2.99Å; R348-D561 IonicContact NH1-OD2 3.02Å; R348-D561 IonicContact NH2-OD1 2.85Å; R348-D561 PolarHBondContact NH2-OD1 3.28Å; R348-N565 VanDerWaalsContact NH1-CG 3.3Å; R348-N565 PolarHBondContact NH1-OD1 2.7Å; R348-T568 HydrophobicContact CB-CG2 3.76Å; R348-T568 WeakPolarHBondContact CB-OG1 3.38Å
349	L	98.8	Very high	97.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-60.9	-44.2	174.9	179.2	65.1	0	0	0	111.7	S345 L346 S347 F351 L352 L353 V362 V473 L571 Y572	S345-L349 WeakPolarHBondContact O-CB 3.42Å; S345-L349 PolarHBondContact O-N 3.04Å; L346-L349 HydrophobicContact CD2-CD2 4.25Å; L346-L349 PolarHBondContact O-N 3.4Å; S347-L349 PolarHBondContact O-N 3.26Å; L349-F351 VanDerWaalsContact C-N 3.3Å; L349-F351 PolarHBondContact O-N 3.28Å; L349-L352 PolarHBondContact O-N 3.43Å; L349-L353 HydrophobicContact CD1-CD1 4.12Å; L349-L353 HydrophobicContact CD1-CG 4.09Å; L349-L353 HydrophobicContact CG-CD1 3.96Å; L349-L353 HydrophobicContact CG-CG 4.33Å; L349-L353 WeakPolarHBondContact O-CG 3.39Å; L349-L353 PolarHBondContact O-N 3.11Å; L349-V362 HydrophobicContact CD2-CG2 4.48Å; L349-V473 HydrophobicContact CB-CG2 4.36Å; L349-V473 HydrophobicContact CD2-CG2 3.99Å; L349-V473 HydrophobicContact CG-CG2 3.98Å; L349-L571 HydrophobicContact CD1-CB 4.29Å; L349-L571 HydrophobicContact CD2-CB 3.9Å; L349-L571 HydrophobicContact CD2-CD1 4.25Å; L349-Y572 HydrophobicContact CD1-CD2 4.17Å
350	N	98.6	Very high	97.7	Very high	9 Å²	9	49.2 Å²	49.2	5%	0.048	23%	0.233	C	C	.	.	H	α-helix	trans	-58	-45.4	176.9	-172.5	43.1	0	0	0	110.9	L346 S347 R348 R354 L465 D471 R472 V473	L346-N350 WeakPolarHBondContact O-CB 3.31Å; L346-N350 PolarHBondContact O-N 3.21Å; S347-N350 WeakPolarHBondContact O-CB 3.41Å; S347-N350 PolarHBondContact O-N 2.8Å; R348-N350 PolarHBondContact O-N 3.15Å; N350-R354 WeakPolarHBondContact O-CB 3.45Å; N350-R354 WeakPolarHBondContact O-CG 3.5Å; N350-R354 PolarHBondContact O-N 3.07Å; N350-L465 HydrophobicContact CB-CD2 3.99Å; N350-L465 WeakPolarHBondContact ND2-CD2 3.41Å; N350-D471 PolarHBondContact ND2-OD1 2.87Å; N350-D471 WeakPolarHBondContact OD1-CA 3.29Å; N350-R472 PolarHBondContact OD1-N 2.68Å; N350-V473 HydrophobicContact CB-CB 4.04Å; N350-V473 HydrophobicContact CB-CG2 3.87Å; N350-V473 PolarHBondContact OD1-N 3.05Å
351	F	98.4	Very high	97.8	Very high	123 Å²	123	47.4 Å²	47.4	54%	0.539	22%	0.224	S	C	.	.	H	α-helix	trans	-59.1	-50.3	175.2	176.5	-97.5	0	0	0	112	S347 R348 L349 L353 R354 M355	S347-F351 PolarHBondContact O-N 2.76Å; R348-F351 WeakPolarHBondContact O-CB 3.46Å; R348-F351 PolarHBondContact O-N 3.13Å; L349-F351 VanDerWaalsContact C-N 3.3Å; L349-F351 PolarHBondContact O-N 3.28Å; F351-L353 PolarHBondContact O-N 3.42Å; F351-R354 PolarHBondContact O-N 3.46Å; F351-M355 HydrophobicContact CD1-CG 4.13Å; F351-M355 HydrophobicContact CD2-CG 4.1Å; F351-M355 HydrophobicContact CE1-CG 3.7Å; F351-M355 HydrophobicContact CE2-CE 4.38Å; F351-M355 HydrophobicContact CE2-CG 3.66Å; F351-M355 HydrophobicContact CE2-SD 4.01Å; F351-M355 HydrophobicContact CG-CG 4.32Å; F351-M355 HydrophobicContact CZ-CG 3.45Å; F351-M355 VanDerWaalsContact CZ-CG 3.45Å; F351-M355 HydrophobicContact CZ-SD 4.02Å; F351-M355 WeakPolarHBondContact O-CG 3.36Å; F351-M355 PolarHBondContact O-N 3.43Å
352	L	98.3	Very high	97.9	Very high	50 Å²	50	47 Å²	47	26%	0.262	22%	0.222	S	C	.	.	H	α-helix	trans	-59.8	-46.4	179.8	-70.2	176.3	0	0	0	112.4	R348 L349 R354 M355 H356 T568 Y572	R348-L352 WeakPolarHBondContact O-CG 3.45Å; R348-L352 PolarHBondContact O-N 3.03Å; L349-L352 PolarHBondContact O-N 3.43Å; L352-R354 VanDerWaalsContact C-N 3.3Å; L352-R354 PolarHBondContact O-N 3.11Å; L352-M355 PolarHBondContact O-N 3.23Å; L352-H356 WeakPolarHBondContact O-CB 3.08Å; L352-H356 PolarHBondContact O-CD2 3.32Å; L352-H356 VanDerWaalsContact O-CD2 3.27Å; L352-H356 PolarHBondContact O-N 3.48Å; L352-T568 HydrophobicContact CD1-CG2 3.63Å; L352-Y572 HydrophobicContact CB-CD2 4.11Å; L352-Y572 HydrophobicContact CB-CE2 4.17Å; L352-Y572 HydrophobicContact CD1-CD1 4.45Å; L352-Y572 HydrophobicContact CD1-CD2 4.44Å; L352-Y572 HydrophobicContact CD1-CG 4.18Å
353	L	98.3	Very high	97.9	Very high	1 Å²	1	47 Å²	47	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-63.2	-37.5	179.1	-68.8	175	0	0	0	111.8	L349 F351 K357 S358 V362 R472 V473 Y572 C575	L349-L353 HydrophobicContact CD1-CD1 4.12Å; L349-L353 HydrophobicContact CD1-CG 4.09Å; L349-L353 HydrophobicContact CG-CD1 3.96Å; L349-L353 HydrophobicContact CG-CG 4.33Å; L349-L353 WeakPolarHBondContact O-CG 3.39Å; L349-L353 PolarHBondContact O-N 3.11Å; F351-L353 PolarHBondContact O-N 3.42Å; L353-K357 PolarHBondContact O-N 2.98Å; L353-S358 PolarHBondContact O-N 3.12Å; L353-V362 HydrophobicContact CD1-CG2 4.02Å; L353-R472 HydrophobicContact CB-CB 3.64Å; L353-R472 HydrophobicContact CB-CG 3.94Å; L353-R472 HydrophobicContact CD1-CB 3.98Å; L353-R472 HydrophobicContact CG-CB 4.48Å; L353-V473 HydrophobicContact CD1-CG2 4.09Å; L353-Y572 HydrophobicContact CD2-CD2 4.09Å; L353-Y572 HydrophobicContact CD2-CE2 4.11Å; L353-C575 HydrophobicContact CD2-CB 4.25Å
354	R	97.5	Very high	98	Very high	112 Å²	112	47 Å²	47	42%	0.423	22%	0.222	S	C	.	.	H	α-helix	trans	-68.6	-47.7	175.9	-72.5	174.8	64.7	-176.8	-1.7	112.2	N350 F351 L352 H356 K357 T470 D471 R472	N350-R354 WeakPolarHBondContact O-CB 3.45Å; N350-R354 WeakPolarHBondContact O-CG 3.5Å; N350-R354 PolarHBondContact O-N 3.07Å; F351-R354 PolarHBondContact O-N 3.46Å; L352-R354 VanDerWaalsContact C-N 3.3Å; L352-R354 PolarHBondContact O-N 3.11Å; R354-H356 VanDerWaalsContact C-N 3.34Å; R354-H356 PolarHBondContact O-N 3.46Å; R354-K357 PolarHBondContact O-N 2.8Å; R354-T470 WeakPolarHBondContact CD-O 3.5Å; R354-D471 IonicContact NH1-OD1 3.91Å; R354-R472 HydrophobicContact CG-CG 3.73Å
355	M	97.4	Very high	98	Very high	114 Å²	114	44.9 Å²	44.9	56%	0.562	21%	0.212	S	C	*	.	H	α-helix	trans	-63.2	-40.5	-179.6	-72.1	-60	98.5	0	0	112.2	F351 L352 K357	F351-M355 HydrophobicContact CD1-CG 4.13Å; F351-M355 HydrophobicContact CD2-CG 4.1Å; F351-M355 HydrophobicContact CE1-CG 3.7Å; F351-M355 HydrophobicContact CE2-CE 4.38Å; F351-M355 HydrophobicContact CE2-CG 3.66Å; F351-M355 HydrophobicContact CE2-SD 4.01Å; F351-M355 HydrophobicContact CG-CG 4.32Å; F351-M355 HydrophobicContact CZ-CG 3.45Å; F351-M355 VanDerWaalsContact CZ-CG 3.45Å; F351-M355 HydrophobicContact CZ-SD 4.02Å; F351-M355 WeakPolarHBondContact O-CG 3.36Å; F351-M355 PolarHBondContact O-N 3.43Å; L352-M355 PolarHBondContact O-N 3.23Å; M355-K357 PolarHBondContact O-N 2.85Å
356	H	96.8	Very high	98	Very high	120 Å²	120	44.9 Å²	44.9	56%	0.556	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.3	3.4	175.2	-74.2	-77	0	0	0	113.9	L352 R354 S358 Y572	L352-H356 WeakPolarHBondContact O-CB 3.08Å; L352-H356 PolarHBondContact O-CD2 3.32Å; L352-H356 VanDerWaalsContact O-CD2 3.27Å; L352-H356 PolarHBondContact O-N 3.48Å; R354-H356 VanDerWaalsContact C-N 3.34Å; R354-H356 PolarHBondContact O-N 3.46Å; H356-S358 PolarHBondContact O-N 2.9Å; H356-Y572 AromaticContact CD2-CZ 3.88Å; H356-Y572 PolarHBondContact CD2-OH 3.28Å; H356-Y572 VanDerWaalsContact CG-OH 3.31Å
357	K	95.9	Very high	98	Very high	189 Å²	189	45.2 Å²	45.2	82%	0.822	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.3	40.7	-178.3	-58.7	-179.9	-179.5	177.3	0	112.7	L353 R354 M355	L353-K357 PolarHBondContact O-N 2.98Å; R354-K357 PolarHBondContact O-N 2.8Å; M355-K357 PolarHBondContact O-N 2.85Å
358	S	96	Very high	97.9	Very high	27 Å²	27	43.6 Å²	43.6	19%	0.189	20%	0.202	C	C	.	.			trans	-64	139	179.7	-178.5	0	0	0	0	110.5	L353 H356 V360 R472	L353-S358 PolarHBondContact O-N 3.12Å; H356-S358 PolarHBondContact O-N 2.9Å; S358-V360 VanDerWaalsContact C-N 3.31Å; S358-V360 PolarHBondContact OG-N 2.97Å; S358-R472 PolarHBondContact O-NE 3.04Å; S358-R472 VanDerWaalsContact O-NE 3.12Å; S358-R472 PolarHBondContact O-NH2 2.91Å; S358-R472 VanDerWaalsContact O-NH2 3.1Å
359	D	95.4	Very high	97.8	Very high	86 Å²	86	42.8 Å²	42.8	46%	0.46	20%	0.204	S	C	.	.			trans	-86.5	-1.5	173.4	65.9	-21.9	0	0	0	113.1	K322 R472	K322-D359 HydrophobicContact CD-CB 4.38Å; K322-D359 VanDerWaalsContact CD-OD2 3.31Å; K322-D359 WeakPolarHBondContact CD-OD2 3.1Å; K322-D359 WeakPolarHBondContact CE-OD2 3.48Å; K322-D359 IonicContact NZ-OD2 3.93Å; K322-D359 PolarHBondContact NZ-OD2 3.49Å; D359-R472 VanDerWaalsContact CA-NH2 3.29Å; D359-R472 PolarHBondContact O-NH2 3.32Å
360	V	97.9	Very high	97.6	Very high	22 Å²	22	44.3 Å²	44.3	13%	0.133	22%	0.217	C	C	.	.			trans	-80	135.3	172.7	177.4	0	0	0	0	111.2	K322 L324 S358 V362 R472 C575	K322-V360 WeakPolarHBondContact O-CA 3.29Å; L324-V360 HydrophobicContact CD1-CG1 3.94Å; L324-V360 HydrophobicContact CG-CG1 4.1Å; S358-V360 VanDerWaalsContact C-N 3.31Å; S358-V360 PolarHBondContact OG-N 2.97Å; V360-V362 HydrophobicContact CG1-CG2 4.5Å; V360-R472 PolarHBondContact O-NE 3.06Å; V360-R472 VanDerWaalsContact O-NE 3.1Å; V360-R472 PolarHBondContact O-NH2 3.1Å; V360-C575 HydrophobicContact CG1-CB 4.36Å
361	T	98.7	Very high	97.5	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.012	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	141.1	171.7	-57.2	0	0	0	0	109	F318 K322 T323 L324 R472 K474	F318-T361 HydrophobicContact CB-CG2 4.28Å; F318-T361 WeakPolarHBondContact CB-OG1 3.43Å; F318-T361 HydrophobicContact CD1-CG2 4.46Å; F318-T361 HydrophobicContact CD2-CG2 3.79Å; F318-T361 HydrophobicContact CE2-CG2 4.19Å; F318-T361 HydrophobicContact CG-CG2 3.93Å; K322-T361 PolarHBondContact O-N 3.41Å; K322-T361 VanDerWaalsContact O-N 3.09Å; T323-T361 CarbonylContact C-O 3.51Å; T323-T361 VanDerWaalsContact CA-O 3.24Å; T323-T361 WeakPolarHBondContact CA-O 3.46Å; L324-T361 PolarHBondContact N-O 2.77Å; T361-R472 WeakPolarHBondContact CA-O 3.29Å; T361-R472 PolarHBondContact OG1-NH2 2.67Å; T361-K474 HydrophobicContact CG2-CG 4.22Å
362	V	98.8	Very high	97.4	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	124.3	177.3	-177.5	0	0	0	0	108	L324 L326 L349 L353 V360 V364 R472 V473 K474	L324-V362 WeakPolarHBondContact O-CA 3.15Å; L326-V362 HydrophobicContact CB-CG1 4.43Å; L326-V362 HydrophobicContact CD1-CG1 4.08Å; L326-V362 HydrophobicContact CD2-CG1 3.87Å; L326-V362 HydrophobicContact CG-CG1 4.35Å; L349-V362 HydrophobicContact CD2-CG2 4.48Å; L353-V362 HydrophobicContact CD1-CG2 4.02Å; V360-V362 HydrophobicContact CG1-CG2 4.5Å; V362-V364 HydrophobicContact CG1-CG2 3.79Å; V362-R472 PolarHBondContact N-O 2.93Å; V362-V473 HydrophobicContact CB-CG2 4.27Å; V362-V473 CarbonylContact O-C 3.23Å; V362-V473 WeakPolarHBondContact O-CA 3.46Å; V362-K474 PolarHBondContact O-N 2.96Å
363	V	98.9	Very high	97.1	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	122.3	171.4	177.6	0	0	0	0	107.7	V308 F318 T323 L324 F325 L326 F365 K474 I476	V308-V363 HydrophobicContact CG2-CG1 4.34Å; F318-V363 HydrophobicContact CE2-CG2 4.47Å; T323-V363 HydrophobicContact CG2-CB 4.39Å; T323-V363 HydrophobicContact CG2-CG2 3.72Å; L324-V363 PolarHBondContact O-N 3.24Å; F325-V363 WeakPolarHBondContact CA-O 3.41Å; F325-V363 HydrophobicContact CD1-CB 3.92Å; F325-V363 HydrophobicContact CD1-CG1 4.43Å; F325-V363 HydrophobicContact CE1-CB 4.09Å; F325-V363 HydrophobicContact CE1-CG2 4.34Å; L326-V363 PolarHBondContact N-O 3.29Å; V363-F365 HydrophobicContact CG1-CD2 4.41Å; V363-F365 HydrophobicContact CG1-CE2 3.8Å; V363-F365 HydrophobicContact CG1-CZ 4.17Å; V363-K474 WeakPolarHBondContact CA-O 3.42Å; V363-K474 HydrophobicContact CG2-CB 4.13Å; V363-K474 HydrophobicContact CG2-CG 4.18Å; V363-I476 HydrophobicContact CG1-CD1 3.7Å; V363-I476 HydrophobicContact CG1-CG1 4.25Å
364	V	98.9	Very high	96.8	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	125.3	-173.8	-170.3	0	0	0	0	110.5	L326 F342 L346 V362 F366 V473 K474 V475 I476	L326-V364 HydrophobicContact CB-CG1 4.34Å; L326-V364 HydrophobicContact CB-CG2 4.18Å; L326-V364 CarbonylContact O-C 3.07Å; L326-V364 VanDerWaalsContact O-CA 3.31Å; L326-V364 WeakPolarHBondContact O-CA 3.42Å; F342-V364 HydrophobicContact CE1-CG1 3.49Å; F342-V364 VanDerWaalsContact CE1-CG1 3.49Å; F342-V364 HydrophobicContact CZ-CG1 3.44Å; F342-V364 VanDerWaalsContact CZ-CG1 3.44Å; L346-V364 HydrophobicContact CD1-CB 4.13Å; L346-V364 HydrophobicContact CD1-CG1 3.91Å; L346-V364 HydrophobicContact CD1-CG2 3.92Å; L346-V364 HydrophobicContact CD2-CG2 3.73Å; L346-V364 HydrophobicContact CG-CG2 4.47Å; V362-V364 HydrophobicContact CG1-CG2 3.79Å; V364-F366 HydrophobicContact CB-CE2 4.46Å; V364-F366 HydrophobicContact CG1-CD2 4.3Å; V364-F366 HydrophobicContact CG1-CE2 3.8Å; V364-F366 HydrophobicContact CG1-CZ 4.47Å; V364-V473 HydrophobicContact CG2-CG1 3.96Å; V364-K474 PolarHBondContact N-O 2.8Å; V364-V475 CarbonylContact O-C 3.51Å; V364-V475 WeakPolarHBondContact O-CA 3.3Å; V364-I476 PolarHBondContact O-N 3.12Å
365	F	98.8	Very high	96.7	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.009	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	132.4	176.4	-67.3	-96.2	0	0	0	111.4	I304 F307 V308 F325 L326 F327 I328 V363 I367 I476 F496	I304-F365 HydrophobicContact CG2-CE2 3.93Å; I304-F365 HydrophobicContact CG2-CZ 3.84Å; F307-F365 AromaticContact CD1-CE1 3.88Å; F307-F365 HydrophobicContact CD1-CE1 3.88Å; F307-F365 HydrophobicContact CD1-CZ 4.03Å; F307-F365 AromaticContact CE1-CE1 3.59Å; F307-F365 HydrophobicContact CE1-CE1 3.59Å; F307-F365 HydrophobicContact CE1-CZ 4.09Å; V308-F365 HydrophobicContact CG2-CZ 4.25Å; F325-F365 HydrophobicContact CD1-CE2 4.03Å; L326-F365 PolarHBondContact O-N 3.38Å; F327-F365 CarbonylContact C-O 3.51Å; F327-F365 VanDerWaalsContact CA-O 3.22Å; F327-F365 WeakPolarHBondContact CA-O 2.98Å; F327-F365 HydrophobicContact CB-CB 4Å; I328-F365 PolarHBondContact N-O 2.95Å; V363-F365 HydrophobicContact CG1-CD2 4.41Å; V363-F365 HydrophobicContact CG1-CE2 3.8Å; V363-F365 HydrophobicContact CG1-CZ 4.17Å; F365-I367 HydrophobicContact CB-CD1 4.06Å; F365-I367 HydrophobicContact CB-CG1 4.47Å; F365-I476 CarbonylContact C-O 3.54Å; F365-I476 WeakPolarHBondContact CA-O 2.87Å; F365-I476 HydrophobicContact CD1-CB 4.16Å; F365-I476 HydrophobicContact CD1-CD1 4.41Å; F365-I476 HydrophobicContact CD1-CG2 4.31Å; F365-I476 HydrophobicContact CE1-CB 4.38Å; F365-I476 HydrophobicContact CE1-CD1 3.83Å; F365-I476 HydrophobicContact CE1-CG2 4.39Å; F365-I476 HydrophobicContact CZ-CD1 3.97Å; F365-F496 HydrophobicContact CB-CE2 4.46Å; F365-F496 HydrophobicContact CB-CZ 3.67Å; F365-F496 HydrophobicContact CD1-CE2 4.09Å; F365-F496 HydrophobicContact CD1-CZ 4.13Å; F365-F496 HydrophobicContact CD2-CE2 4.12Å; F365-F496 AromaticContact CD2-CZ 3.9Å; F365-F496 HydrophobicContact CD2-CZ 3.9Å; F365-F496 HydrophobicContact CE1-CE2 4.32Å; F365-F496 HydrophobicContact CE2-CE2 4.37Å; F365-F496 AromaticContact CG-CE2 3.98Å; F365-F496 HydrophobicContact CG-CE2 3.98Å; F365-F496 AromaticContact CG-CZ 3.65Å; F365-F496 HydrophobicContact CG-CZ 3.65Å; F365-F496 HydrophobicContact CZ-CE2 4.47Å
366	F	98.7	Very high	96.5	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	103.7	168	-70.1	-106.3	0	0	0	107.9	I328 A339 F342 L343 L346 V364 I456 I476 L477 H478	I328-F366 HydrophobicContact CG2-CB 4.14Å; I328-F366 HydrophobicContact CG2-CD1 3.24Å; I328-F366 HydrophobicContact CG2-CD2 4.42Å; I328-F366 HydrophobicContact CG2-CE1 3.61Å; I328-F366 HydrophobicContact CG2-CG 3.69Å; I328-F366 HydrophobicContact CG2-CZ 4.32Å; A339-F366 HydrophobicContact CB-CE1 4.31Å; F342-F366 AromaticContact CD1-CE1 3.81Å; F342-F366 HydrophobicContact CD1-CE1 3.81Å; F342-F366 AromaticContact CD1-CZ 3.64Å; F342-F366 HydrophobicContact CD1-CZ 3.64Å; F342-F366 HydrophobicContact CE1-CE1 4.37Å; F342-F366 HydrophobicContact CE1-CE2 4.42Å; F342-F366 AromaticContact CE1-CZ 3.96Å; F342-F366 HydrophobicContact CE1-CZ 3.96Å; F342-F366 HydrophobicContact CG-CZ 4.46Å; L343-F366 HydrophobicContact CD1-CE1 4.47Å; L343-F366 HydrophobicContact CD2-CE1 4.09Å; L343-F366 HydrophobicContact CD2-CE2 3.91Å; L343-F366 HydrophobicContact CD2-CZ 3.42Å; L343-F366 VanDerWaalsContact CD2-CZ 3.42Å; L343-F366 HydrophobicContact CG-CE1 3.97Å; L343-F366 HydrophobicContact CG-CZ 3.7Å; L346-F366 HydrophobicContact CD1-CE2 4.15Å; L346-F366 HydrophobicContact CD1-CZ 4.07Å; V364-F366 HydrophobicContact CB-CE2 4.46Å; V364-F366 HydrophobicContact CG1-CD2 4.3Å; V364-F366 HydrophobicContact CG1-CE2 3.8Å; V364-F366 HydrophobicContact CG1-CZ 4.47Å; F366-I456 HydrophobicContact CD1-CD1 4.1Å; F366-I476 PolarHBondContact N-O 3.09Å; F366-L477 HydrophobicContact CB-CD1 3.68Å; F366-H478 CarbonylContact O-C 3.59Å; F366-H478 PolarHBondContact O-N 3.17Å
367	I	98.3	Very high	96.3	Very high	6 Å²	6	47.1 Å²	47.1	3%	0.031	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	83.1	178.5	-47.1	-56.6	0	0	0	108.4	I328 A329 G330 F365 H478 L482 F496	I328-I367 PolarHBondContact O-N 3.23Å; A329-I367 VanDerWaalsContact CA-O 3.31Å; A329-I367 WeakPolarHBondContact CA-O 3.22Å; A329-I367 HydrophobicContact CB-CB 3.97Å; G330-I367 PolarHBondContact N-O 3.41Å; G330-I367 VanDerWaalsContact N-O 3.17Å; F365-I367 HydrophobicContact CB-CD1 4.06Å; F365-I367 HydrophobicContact CB-CG1 4.47Å; I367-H478 HydrophobicContact CD1-CB 3.68Å; I367-L482 HydrophobicContact CD1-CD1 4.37Å; I367-L482 HydrophobicContact CD1-CD2 4.24Å; I367-L482 HydrophobicContact CD1-CG 4.45Å; I367-L482 HydrophobicContact CG1-CD1 4.34Å; I367-L482 HydrophobicContact CG2-CD1 4.32Å; I367-L482 HydrophobicContact CG2-CG 4.04Å; I367-F496 HydrophobicContact CD1-CE1 4.32Å; I367-F496 HydrophobicContact CD1-CZ 4.23Å; I367-F496 HydrophobicContact CG1-CE1 3.94Å; I367-F496 HydrophobicContact CG1-CZ 4.3Å
368	M	97.2	Very high	96.2	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.222	C	C	.	.			trans	-134.2	102.2	-174.6	-69.7	-171.1	173.9	0	0	110.3	I328 Y332 K337 A339 A370 I456 H478 P479	I328-M368 HydrophobicContact CD1-CE 3.58Å; I328-M368 HydrophobicContact CG1-CE 3.68Å; I328-M368 HydrophobicContact CG2-CE 4.15Å; Y332-M368 HydrophobicContact CD2-CB 3.89Å; Y332-M368 VanDerWaalsContact CD2-O 3.31Å; Y332-M368 WeakPolarHBondContact CD2-O 3.3Å; Y332-M368 HydrophobicContact CE2-CB 4.37Å; Y332-M368 HydrophobicContact CG-CB 4.13Å; K337-M368 HydrophobicContact CB-CE 3.97Å; A339-M368 HydrophobicContact CB-CE 4.21Å; A339-M368 HydrophobicContact CB-SD 4.44Å; M368-A370 PolarHBondContact O-N 3.04Å; M368-I456 HydrophobicContact SD-CD1 3.79Å; M368-H478 PolarHBondContact N-O 3.42Å; M368-P479 VanDerWaalsContact O-CA 3.24Å; M368-P479 WeakPolarHBondContact O-CA 3.21Å
369	P	95.4	Very high	96.1	Very high	36 Å²	36	39.7 Å²	39.7	23%	0.234	21%	0.214	C	C	.	.			trans	-56.6	126.3	-175.4	-25.9	33.7	0	0	0	112.9	G330 Y332 P479 F481	G330-P369 WeakPolarHBondContact O-CD 3.42Å; Y332-P369 WeakPolarHBondContact CB-O 3.35Å; Y332-P369 WeakPolarHBondContact CD2-O 3.37Å; P369-P479 WeakPolarHBondContact CA-O 3.43Å; P369-F481 HydrophobicContact CB-CD2 4.35Å; P369-F481 HydrophobicContact CB-CE2 4.12Å; P369-F481 HydrophobicContact CB-CZ 4.36Å; P369-F481 HydrophobicContact CG-CD1 3.77Å; P369-F481 HydrophobicContact CG-CD2 3.85Å; P369-F481 HydrophobicContact CG-CE1 3.58Å; P369-F481 HydrophobicContact CG-CE2 3.67Å; P369-F481 HydrophobicContact CG-CG 3.91Å; P369-F481 HydrophobicContact CG-CZ 3.55Å
370	A	96.1	Very high	96	Very high	32 Å²	32	38.9 Å²	38.9	26%	0.264	21%	0.209	S	C	.	.			trans	-131.1	175.3	-179	0	0	0	0	0	111.1	Y332 M368 T372 M448 P479	Y332-A370 HydrophobicContact CD2-CB 3.49Å; Y332-A370 VanDerWaalsContact CD2-CB 3.49Å; Y332-A370 HydrophobicContact CE2-CB 3.51Å; M368-A370 PolarHBondContact O-N 3.04Å; A370-T372 PolarHBondContact O-N 3.42Å; A370-M448 HydrophobicContact CB-CE 3.46Å; A370-M448 VanDerWaalsContact CB-CE 3.46Å; A370-M448 HydrophobicContact CB-SD 4.37Å; A370-P479 HydrophobicContact CB-CB 3.73Å; A370-P479 PolarHBondContact N-O 3.13Å
371	K	95.4	Very high	95.8	Very high	152 Å²	152	42.5 Å²	42.5	66%	0.661	22%	0.223	S	C	*	.			trans	-77.4	118.9	171.3	-63.5	-177.4	-176.5	174.3	0	110.1	I449	K371-I449 HydrophobicContact CB-CB 4.32Å; K371-I449 HydrophobicContact CB-CD1 3.89Å; K371-I449 HydrophobicContact CB-CG1 4.19Å; K371-I449 PolarHBondContact O-N 3.44Å; K371-I449 VanDerWaalsContact O-N 3.13Å
372	T	95.9	Very high	95.6	Very high	43 Å²	43	42.4 Å²	42.4	26%	0.264	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	164.6	-175.9	62.7	0	0	0	0	112.1	A370 H446 N447 M448 P479	A370-T372 PolarHBondContact O-N 3.42Å; T372-H446 HydrophobicContact CG2-CB 3.82Å; T372-N447 CarbonylContact C-O 3.5Å; T372-N447 VanDerWaalsContact CA-O 3.3Å; T372-N447 WeakPolarHBondContact CA-O 3.33Å; T372-M448 HydrophobicContact CG2-SD 3.85Å; T372-P479 HydrophobicContact CG2-CB 3.92Å; T372-P479 HydrophobicContact CG2-CG 3.62Å
373	N	93.8	Very high	95.4	Very high	102 Å²	102	43.1 Å²	43.1	55%	0.545	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	88.9	171.2	-175	13.3	0	0	0	109.9	N447	N373-N447 PolarHBondContact N-O 3.3Å; N373-N447 WeakPolarHBondContact O-CB 3.42Å; N373-N447 PolarHBondContact O-ND2 3.45Å
374	N	91.8	Very high	95.2	Very high	122 Å²	122	46 Å²	46	65%	0.652	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	59.1	173.5	-178	-59	-48.5	0	0	0	114.6	N447	N374-N447 PolarHBondContact O-N 2.94Å; N374-N447 VanDerWaalsContact O-N 3.14Å
375	F	95	Very high	95	Very high	47 Å²	47	46.5 Å²	46.5	21%	0.206	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	152.5	172.1	-55.6	-64.3	0	0	0	111.3	L380 H446 N447 P487 L488	F375-L380 HydrophobicContact CB-CD1 3.78Å; F375-L380 HydrophobicContact CB-CD2 4.44Å; F375-L380 HydrophobicContact CB-CG 3.88Å; F375-L380 HydrophobicContact CD2-CD1 4.39Å; F375-L380 HydrophobicContact CD2-CD2 4.3Å; F375-H446 AromaticContact CD1-CD2 3.64Å; F375-H446 AromaticContact CD1-CE1 3.68Å; F375-H446 AromaticContact CD1-NE2 3.21Å; F375-H446 WeakPolarHBondContact CD1-NE2 3.35Å; F375-H446 AromaticContact CE1-CD2 3.95Å; F375-H446 AromaticContact CE1-CE1 3.65Å; F375-H446 AromaticContact CE1-NE2 3.1Å; F375-H446 WeakPolarHBondContact CE1-NE2 3.42Å; F375-N447 PolarHBondContact O-ND2 3.49Å; F375-N447 VanDerWaalsContact O-ND2 3.13Å; F375-P487 HydrophobicContact CD2-CG 3.95Å; F375-P487 HydrophobicContact CE2-CG 3.39Å; F375-P487 HydrophobicContact CZ-CG 3.88Å; F375-L488 HydrophobicContact CB-CD1 4.3Å; F375-L488 HydrophobicContact CD1-CD1 3.34Å; F375-L488 HydrophobicContact CD1-CG 3.83Å; F375-L488 HydrophobicContact CE1-CD1 3.88Å; F375-L488 HydrophobicContact CE1-CG 4.09Å; F375-L488 HydrophobicContact CG-CD1 3.96Å; F375-L488 HydrophobicContact CG-CG 4.19Å
376	N	92.7	Very high	94.7	Very high	12 Å²	12	49.3 Å²	49.3	6%	0.064	26%	0.263	C	S	.	.			trans	-66.2	149.1	169.3	72.5	9.3	0	0	0	109.5	E378 T379 L380 P442 T444 T445	N376-E378 VanDerWaalsContact C-N 3.29Å; N376-E378 PolarHBondContact O-N 3.36Å; N376-T379 PolarHBondContact ND2-OG1 3.05Å; N376-T379 VanDerWaalsContact OD1-CA 3.27Å; N376-T379 WeakPolarHBondContact OD1-CA 3.48Å; N376-T379 WeakPolarHBondContact OD1-CB 3.21Å; N376-T379 PolarHBondContact OD1-N 3.05Å; N376-T379 PolarHBondContact OD1-OG1 3.28Å; N376-L380 PolarHBondContact O-N 3.5Å; N376-P442 WeakPolarHBondContact ND2-CG 3.45Å; N376-T444 PolarHBondContact ND2-O 3.11Å; N376-T445 VanDerWaalsContact CG-O 3.26Å; N376-T445 PolarHBondContact N-O 3.33Å; N376-T445 PolarHBondContact OD1-O 3.16Å
377	V	93.6	Very high	94.5	Very high	110 Å²	110	55.2 Å²	55.2	67%	0.667	29%	0.288	S	S	*	.	H	α-helix	trans	-68.7	-34.6	-180	178.4	0	0	0	0	110.7	K381	V377-K381 VanDerWaalsContact O-CB 3.24Å; V377-K381 WeakPolarHBondContact O-CB 3.33Å; V377-K381 PolarHBondContact O-N 3.14Å
378	E	92.6	Very high	94.2	Very high	59 Å²	59	59.4 Å²	59.4	28%	0.276	31%	0.308	S	S	.	.	H	α-helix	trans	-68.8	-40.1	-175.7	-74.5	-60	141.8	0	0	113.9	Y313 N376 G382 R437	Y313-E378 PolarHBondContact OH-OE2 3.28Å; N376-E378 VanDerWaalsContact C-N 3.29Å; N376-E378 PolarHBondContact O-N 3.36Å; E378-G382 PolarHBondContact O-N 3.35Å; E378-R437 IonicContact OE2-CZ 2.66Å; E378-R437 IonicContact OE2-NE 3.69Å; E378-R437 PolarHBondContact OE2-NE 3.25Å; E378-R437 IonicContact OE2-NH2 3.76Å
379	T	93.6	Very high	94	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.006	32%	0.323	C	S	.	.	H	α-helix	trans	-71.4	-40.1	176.4	-58.5	0	0	0	0	110.6	F307 H311 N376 G382 Q383 T445 L488	F307-T379 HydrophobicContact CE2-CG2 4.02Å; F307-T379 HydrophobicContact CZ-CG2 4.44Å; H311-T379 PolarHBondContact CE1-OG1 3.46Å; H311-T379 VanDerWaalsContact CE1-OG1 3.22Å; H311-T379 VanDerWaalsContact ND1-CG2 3.29Å; H311-T379 WeakPolarHBondContact ND1-CG2 3.44Å; H311-T379 PolarHBondContact ND1-OG1 3.27Å; H311-T379 VanDerWaalsContact ND1-OG1 3.13Å; N376-T379 PolarHBondContact ND2-OG1 3.05Å; N376-T379 VanDerWaalsContact OD1-CA 3.27Å; N376-T379 WeakPolarHBondContact OD1-CA 3.48Å; N376-T379 WeakPolarHBondContact OD1-CB 3.21Å; N376-T379 PolarHBondContact OD1-N 3.05Å; N376-T379 PolarHBondContact OD1-OG1 3.28Å; T379-G382 PolarHBondContact O-N 3.4Å; T379-Q383 WeakPolarHBondContact O-CG 3.5Å; T379-Q383 PolarHBondContact O-N 3Å; T379-T445 HydrophobicContact CG2-CG2 4.33Å; T379-L488 HydrophobicContact CG2-CD1 3.98Å; T379-L488 HydrophobicContact CG2-CD2 3.88Å; T379-L488 HydrophobicContact CG2-CG 4.46Å
380	L	94.6	Very high	93.9	Very high	69 Å²	69	68.2 Å²	68.2	36%	0.361	34%	0.341	S	S	.	.	H	α-helix	trans	-59.8	-48	173.9	-78.7	172.3	0	0	0	111.8	F375 N376 G382 Q383 A384 P487 L488	F375-L380 HydrophobicContact CB-CD1 3.78Å; F375-L380 HydrophobicContact CB-CD2 4.44Å; F375-L380 HydrophobicContact CB-CG 3.88Å; F375-L380 HydrophobicContact CD2-CD1 4.39Å; F375-L380 HydrophobicContact CD2-CD2 4.3Å; N376-L380 PolarHBondContact O-N 3.5Å; L380-G382 VanDerWaalsContact C-N 3.31Å; L380-G382 PolarHBondContact O-N 3.06Å; L380-Q383 PolarHBondContact O-N 3Å; L380-A384 PolarHBondContact O-N 2.86Å; L380-P487 HydrophobicContact CD2-CB 4.39Å; L380-P487 HydrophobicContact CD2-CG 4.26Å; L380-L488 HydrophobicContact CD2-CD2 3.58Å; L380-L488 HydrophobicContact CG-CD2 4Å
381	K	93.9	Very high	93.8	Very high	97 Å²	97	70.7 Å²	70.7	42%	0.422	35%	0.35	S	S	.	.	H	α-helix	trans	-57.9	-44.6	175.5	-179.3	-178.7	173.1	-170.1	0	111.2	V377 Q383 A384 V385	V377-K381 VanDerWaalsContact O-CB 3.24Å; V377-K381 WeakPolarHBondContact O-CB 3.33Å; V377-K381 PolarHBondContact O-N 3.14Å; K381-Q383 PolarHBondContact O-N 3.38Å; K381-A384 PolarHBondContact O-N 3.47Å; K381-V385 HydrophobicContact CG-CG2 4.36Å; K381-V385 WeakPolarHBondContact O-CG2 3.44Å; K381-V385 PolarHBondContact O-N 2.91Å
382	G	94.1	Very high	93.7	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-58.5	-43.6	177.2	0	0	0	0	0	113.2	G310 Y313 E378 T379 L380 V385 R386	G310-G382 CarbonylContact O-C 3.58Å; G310-G382 WeakPolarHBondContact O-CA 3.33Å; Y313-G382 VanDerWaalsContact CD1-CA 3.42Å; E378-G382 PolarHBondContact O-N 3.35Å; T379-G382 PolarHBondContact O-N 3.4Å; L380-G382 VanDerWaalsContact C-N 3.31Å; L380-G382 PolarHBondContact O-N 3.06Å; G382-V385 PolarHBondContact O-N 3.29Å; G382-R386 WeakPolarHBondContact O-CB 3.48Å; G382-R386 PolarHBondContact O-N 3.04Å
383	Q	95.1	Very high	93.5	Very high	15 Å²	15	65.3 Å²	65.3	7%	0.07	33%	0.334	C	S	.	.	H	α-helix	trans	-66	-38.3	175.8	-64.3	-49.2	-35.6	0	0	112.8	F307 T379 L380 K381 K387 L488	F307-Q383 PolarHBondContact O-NE2 2.75Å; T379-Q383 WeakPolarHBondContact O-CG 3.5Å; T379-Q383 PolarHBondContact O-N 3Å; L380-Q383 PolarHBondContact O-N 3Å; K381-Q383 PolarHBondContact O-N 3.38Å; Q383-K387 WeakPolarHBondContact O-CB 3.28Å; Q383-K387 PolarHBondContact O-N 3.3Å; Q383-L488 HydrophobicContact CG-CD2 4.21Å
384	A	94.1	Very high	93.5	Very high	61 Å²	61	64.5 Å²	64.5	50%	0.504	33%	0.326	S	S	.	.	H	α-helix	trans	-65.5	-45.3	175.8	0	0	0	0	0	112.2	L380 K381 R386 K387 Q388	L380-A384 PolarHBondContact O-N 2.86Å; K381-A384 PolarHBondContact O-N 3.47Å; A384-R386 PolarHBondContact O-N 2.92Å; A384-K387 PolarHBondContact O-N 3.28Å; A384-Q388 WeakPolarHBondContact O-CB 3.46Å; A384-Q388 PolarHBondContact O-N 3.07Å
385	V	93.4	Very high	93.5	Very high	10 Å²	10	61.5 Å²	61.5	6%	0.061	32%	0.315	C	S	.	.	H	α-helix	trans	-61	-45.3	177	170.2	0	0	0	0	110.8	Y313 K381 G382 K387 Q388 L389 T435	Y313-V385 HydrophobicContact CD2-CG1 4.45Å; K381-V385 HydrophobicContact CG-CG2 4.36Å; K381-V385 WeakPolarHBondContact O-CG2 3.44Å; K381-V385 PolarHBondContact O-N 2.91Å; G382-V385 PolarHBondContact O-N 3.29Å; V385-K387 PolarHBondContact O-N 3.28Å; V385-Q388 PolarHBondContact O-N 3.42Å; V385-L389 HydrophobicContact CG1-CD1 4.32Å; V385-L389 WeakPolarHBondContact O-CG 3.48Å; V385-L389 PolarHBondContact O-N 3.2Å; V385-T435 HydrophobicContact CG1-CG2 4.07Å
386	R	93.6	Very high	93.3	Very high	62 Å²	62	60 Å²	60	23%	0.234	31%	0.31	C	S	.	.	H	α-helix	trans	-56.8	-49.2	174.6	178.2	-155.4	67.2	94.9	0.3	111.7	D306 R309 G382 A384 Q388 L389 W390	D306-R386 WeakPolarHBondContact O-CD 3.37Å; D306-R386 IonicContact OD2-NH1 2.81Å; R309-R386 HydrophobicContact CB-CG 4.25Å; G382-R386 WeakPolarHBondContact O-CB 3.48Å; G382-R386 PolarHBondContact O-N 3.04Å; A384-R386 PolarHBondContact O-N 2.92Å; R386-Q388 VanDerWaalsContact C-N 3.34Å; R386-Q388 PolarHBondContact O-N 3.3Å; R386-L389 WeakPolarHBondContact O-CB 3.31Å; R386-L389 PolarHBondContact O-N 3.44Å; R386-W390 PolarHBondContact O-N 2.85Å
387	K	93.4	Very high	93.3	Very high	123 Å²	123	64.4 Å²	64.4	54%	0.535	33%	0.329	S	S	.	.	H	α-helix	trans	-61.1	-45	180	-174.2	179	178.2	-178.7	0	111.1	Q383 A384 V385 L389 W390 D391	Q383-K387 WeakPolarHBondContact O-CB 3.28Å; Q383-K387 PolarHBondContact O-N 3.3Å; A384-K387 PolarHBondContact O-N 3.28Å; V385-K387 PolarHBondContact O-N 3.28Å; K387-L389 VanDerWaalsContact C-N 3.35Å; K387-L389 PolarHBondContact O-N 3.38Å; K387-W390 WeakPolarHBondContact O-CB 3.48Å; K387-W390 PolarHBondContact O-N 3.39Å; K387-W390 VanDerWaalsContact O-N 3.16Å; K387-D391 VanDerWaalsContact O-CG 3.24Å; K387-D391 PolarHBondContact O-N 3.46Å
388	Q	93.1	Very high	93.3	Very high	95 Å²	95	64.2 Å²	64.2	44%	0.444	32%	0.32	S	S	.	.	H	α-helix	trans	-58.6	-44.5	176.9	-174.3	-177	17.4	0	0	112.3	A384 V385 R386 W390 D391 I392	A384-Q388 WeakPolarHBondContact O-CB 3.46Å; A384-Q388 PolarHBondContact O-N 3.07Å; V385-Q388 PolarHBondContact O-N 3.42Å; R386-Q388 VanDerWaalsContact C-N 3.34Å; R386-Q388 PolarHBondContact O-N 3.3Å; Q388-W390 VanDerWaalsContact C-N 3.33Å; Q388-W390 PolarHBondContact O-N 2.88Å; Q388-D391 PolarHBondContact O-N 2.95Å; Q388-I392 HydrophobicContact CG-CD1 3.99Å; Q388-I392 WeakPolarHBondContact O-CB 3.47Å; Q388-I392 VanDerWaalsContact O-CG1 3.28Å; Q388-I392 WeakPolarHBondContact O-CG1 3.27Å; Q388-I392 PolarHBondContact O-N 3.36Å; Q388-I392 VanDerWaalsContact O-N 3.07Å
389	L	92.6	Very high	93.1	Very high	61 Å²	61	65.7 Å²	65.7	32%	0.319	33%	0.326	S	S	.	.	H	α-helix	trans	-59.9	-44.5	175.3	-76.5	166.6	0	0	0	112	V385 R386 K387 I392 A393 A431 T435	V385-L389 HydrophobicContact CG1-CD1 4.32Å; V385-L389 WeakPolarHBondContact O-CG 3.48Å; V385-L389 PolarHBondContact O-N 3.2Å; R386-L389 WeakPolarHBondContact O-CB 3.31Å; R386-L389 PolarHBondContact O-N 3.44Å; K387-L389 VanDerWaalsContact C-N 3.35Å; K387-L389 PolarHBondContact O-N 3.38Å; L389-I392 PolarHBondContact O-N 3.03Å; L389-A393 WeakPolarHBondContact O-CB 3.38Å; L389-A393 PolarHBondContact O-N 2.95Å; L389-A431 HydrophobicContact CD2-CB 3.64Å; L389-T435 HydrophobicContact CD1-CG2 3.58Å; L389-T435 HydrophobicContact CD2-CG2 4.1Å; L389-T435 HydrophobicContact CG-CG2 4.22Å
390	W	93.1	Very high	92.9	Very high	159 Å²	159	68.7 Å²	68.7	60%	0.602	34%	0.339	S	S	*	.	H	α-helix	trans	-61.9	-47.9	178.9	-179	-92.6	0	0	0	111.8	R386 K387 Q388 I392 A393 H394	R386-W390 PolarHBondContact O-N 2.85Å; K387-W390 WeakPolarHBondContact O-CB 3.48Å; K387-W390 PolarHBondContact O-N 3.39Å; K387-W390 VanDerWaalsContact O-N 3.16Å; Q388-W390 VanDerWaalsContact C-N 3.33Å; Q388-W390 PolarHBondContact O-N 2.88Å; W390-I392 VanDerWaalsContact C-N 3.3Å; W390-I392 PolarHBondContact O-N 3.08Å; W390-A393 PolarHBondContact O-N 3.25Å; W390-H394 WeakPolarHBondContact O-CB 3.35Å; W390-H394 PolarHBondContact O-N 3.42Å
391	D	94.3	Very high	92.8	Very high	84 Å²	84	67 Å²	67	45%	0.449	34%	0.338	S	S	.	.	H	α-helix	trans	-62.2	-39.7	-179.3	-65.4	-18.1	0	0	0	111.3	K387 Q388 H394 S395	K387-D391 VanDerWaalsContact O-CG 3.24Å; K387-D391 PolarHBondContact O-N 3.46Å; Q388-D391 PolarHBondContact O-N 2.95Å; D391-H394 PolarHBondContact O-N 3.1Å; D391-S395 WeakPolarHBondContact O-CB 3.44Å; D391-S395 PolarHBondContact O-N 2.79Å
392	I	93	Very high	92.6	Very high	29 Å²	29	69.3 Å²	69.3	15%	0.149	35%	0.348	C	S	.	.	H	α-helix	trans	-64.7	-49.4	174.7	-71.1	168.9	0	0	0	110.8	Q388 L389 W390 H394 S395 V396 I427 M428 A431	Q388-I392 HydrophobicContact CG-CD1 3.99Å; Q388-I392 WeakPolarHBondContact O-CB 3.47Å; Q388-I392 VanDerWaalsContact O-CG1 3.28Å; Q388-I392 WeakPolarHBondContact O-CG1 3.27Å; Q388-I392 PolarHBondContact O-N 3.36Å; Q388-I392 VanDerWaalsContact O-N 3.07Å; L389-I392 PolarHBondContact O-N 3.03Å; W390-I392 VanDerWaalsContact C-N 3.3Å; W390-I392 PolarHBondContact O-N 3.08Å; I392-H394 VanDerWaalsContact C-N 3.27Å; I392-H394 PolarHBondContact O-N 3.29Å; I392-S395 PolarHBondContact O-N 3.1Å; I392-V396 WeakPolarHBondContact O-CG2 3.42Å; I392-V396 PolarHBondContact O-N 3.35Å; I392-I427 HydrophobicContact CB-CG2 4.48Å; I392-I427 HydrophobicContact CD1-CG2 3.82Å; I392-I427 HydrophobicContact CG1-CG2 3.93Å; I392-I427 HydrophobicContact CG2-CG2 3.73Å; I392-M428 HydrophobicContact CG2-CG 4.21Å; I392-A431 HydrophobicContact CD1-CB 3.54Å
393	A	92.1	Very high	92.4	Very high	54 Å²	54	72.4 Å²	72.4	45%	0.446	36%	0.362	S	S	.	.	H	α-helix	trans	-60.2	-40	178.5	0	0	0	0	0	111.5	L389 W390 V396 K397	L389-A393 WeakPolarHBondContact O-CB 3.38Å; L389-A393 PolarHBondContact O-N 2.95Å; W390-A393 PolarHBondContact O-N 3.25Å; A393-V396 PolarHBondContact O-N 2.92Å; A393-K397 VanDerWaalsContact O-CB 3.27Å; A393-K397 WeakPolarHBondContact O-CB 3.42Å; A393-K397 PolarHBondContact O-N 3.49Å
394	H	94.1	Very high	92.2	Very high	84 Å²	84	74.1 Å²	74.1	39%	0.389	37%	0.371	S	S	.	.	H	α-helix	trans	-65.1	-45.2	177.1	-161.4	93.7	0	0	0	111.7	W390 D391 I392 V396 K397 E398	W390-H394 WeakPolarHBondContact O-CB 3.35Å; W390-H394 PolarHBondContact O-N 3.42Å; D391-H394 PolarHBondContact O-N 3.1Å; I392-H394 VanDerWaalsContact C-N 3.27Å; I392-H394 PolarHBondContact O-N 3.29Å; H394-V396 VanDerWaalsContact C-N 3.35Å; H394-V396 PolarHBondContact O-N 3.41Å; H394-K397 PolarHBondContact CE1-NZ 3.02Å; H394-K397 VanDerWaalsContact CE1-NZ 3.3Å; H394-K397 WeakPolarHBondContact O-CB 3.34Å; H394-K397 PolarHBondContact O-N 3.4Å; H394-E398 IonicContact NE2-OE1 2.64Å; H394-E398 WeakPolarHBondContact O-CG 3.45Å; H394-E398 PolarHBondContact O-N 3.22Å
395	S	92.3	Very high	92	Very high	59 Å²	59	78.1 Å²	78.1	41%	0.413	37%	0.374	S	S	.	.	H	α-helix	trans	-59.4	-44.7	176	-175.9	0	0	0	0	112.1	D391 I392 E398 K399	D391-S395 WeakPolarHBondContact O-CB 3.44Å; D391-S395 PolarHBondContact O-N 2.79Å; I392-S395 PolarHBondContact O-N 3.1Å; S395-E398 PolarHBondContact O-N 2.83Å; S395-K399 WeakPolarHBondContact O-CG 3.45Å; S395-K399 PolarHBondContact O-N 2.82Å; S395-K399 VanDerWaalsContact O-N 3.1Å
396	V	90.8	Very high	91.9	Very high	16 Å²	16	80.8 Å²	80.8	10%	0.097	39%	0.388	C	S	.	.	H	α-helix	trans	-64.2	-42.3	176.5	173.6	0	0	0	0	111	I392 A393 H394 E398 K399 F400 L420 D424 M428	I392-V396 WeakPolarHBondContact O-CG2 3.42Å; I392-V396 PolarHBondContact O-N 3.35Å; A393-V396 PolarHBondContact O-N 2.92Å; H394-V396 VanDerWaalsContact C-N 3.35Å; H394-V396 PolarHBondContact O-N 3.41Å; V396-E398 PolarHBondContact O-N 2.95Å; V396-K399 PolarHBondContact O-N 2.95Å; V396-F400 VanDerWaalsContact O-CB 3.24Å; V396-F400 WeakPolarHBondContact O-CB 3.29Å; V396-F400 PolarHBondContact O-N 3.1Å; V396-L420 HydrophobicContact CG1-CD2 3.47Å; V396-L420 VanDerWaalsContact CG1-CD2 3.47Å; V396-D424 HydrophobicContact CG2-CB 4.22Å; V396-M428 HydrophobicContact CG1-SD 4.45Å; V396-M428 HydrophobicContact CG2-CG 4.38Å; V396-M428 HydrophobicContact CG2-SD 4.44Å
397	K	91.9	Very high	91.7	Very high	105 Å²	105	78.4 Å²	78.4	46%	0.457	38%	0.382	S	S	.	.	H	α-helix	trans	-59.9	-43.8	176.6	-178.2	-149.6	63.2	155.5	0	111.9	A393 H394 F400 G401	A393-K397 VanDerWaalsContact O-CB 3.27Å; A393-K397 WeakPolarHBondContact O-CB 3.42Å; A393-K397 PolarHBondContact O-N 3.49Å; H394-K397 PolarHBondContact CE1-NZ 3.02Å; H394-K397 VanDerWaalsContact CE1-NZ 3.3Å; H394-K397 WeakPolarHBondContact O-CB 3.34Å; H394-K397 PolarHBondContact O-N 3.4Å; K397-F400 PolarHBondContact O-N 2.68Å; K397-G401 PolarHBondContact O-N 3.49Å
398	E	92.8	Very high	91.6	Very high	105 Å²	105	77.5 Å²	77.5	49%	0.491	38%	0.382	S	S	.	.	H	α-helix	trans	-65.1	-43.7	177.3	-67.9	-56.5	130.5	0	0	111.9	H394 S395 V396 G401 K402	H394-E398 IonicContact NE2-OE1 2.64Å; H394-E398 WeakPolarHBondContact O-CG 3.45Å; H394-E398 PolarHBondContact O-N 3.22Å; S395-E398 PolarHBondContact O-N 2.83Å; V396-E398 PolarHBondContact O-N 2.95Å; E398-G401 PolarHBondContact O-N 2.68Å; E398-K402 PolarHBondContact O-N 3.27Å
399	K	89.6	Confident	91.6	Very high	91 Å²	91	78.3 Å²	78.3	40%	0.396	39%	0.389	S	S	.	.	H	α-helix	trans	-61.5	-45.8	174.6	-70.2	-178.1	-170.9	-179.8	0	112	S395 V396 K402 K403 D424	S395-K399 WeakPolarHBondContact O-CG 3.45Å; S395-K399 PolarHBondContact O-N 2.82Å; S395-K399 VanDerWaalsContact O-N 3.1Å; V396-K399 PolarHBondContact O-N 2.95Å; K399-K402 PolarHBondContact O-N 2.91Å; K399-K403 PolarHBondContact O-N 3.32Å; K399-D424 IonicContact NZ-OD1 3.77Å; K399-D424 PolarHBondContact NZ-OD1 2.94Å
400	F	89.6	Confident	91.6	Very high	63 Å²	63	84.5 Å²	84.5	28%	0.276	41%	0.408	S	S	.	.	H	α-helix	trans	-58.9	-49.2	177	178.4	-82.7	0	0	0	110.6	V396 K397 K402 K403 L404 M416 I419 L420	V396-F400 VanDerWaalsContact O-CB 3.24Å; V396-F400 WeakPolarHBondContact O-CB 3.29Å; V396-F400 PolarHBondContact O-N 3.1Å; K397-F400 PolarHBondContact O-N 2.68Å; F400-K402 VanDerWaalsContact C-N 3.31Å; F400-K402 PolarHBondContact O-N 3.07Å; F400-K403 PolarHBondContact O-N 3.14Å; F400-L404 HydrophobicContact CE1-CB 4.4Å; F400-L404 HydrophobicContact CE1-CD2 3.93Å; F400-L404 WeakPolarHBondContact O-CB 2.99Å; F400-L404 PolarHBondContact O-N 2.85Å; F400-M416 HydrophobicContact CE2-SD 4.15Å; F400-M416 HydrophobicContact CZ-SD 3.93Å; F400-I419 HydrophobicContact CB-CG2 4.36Å; F400-I419 HydrophobicContact CD2-CB 4.11Å; F400-I419 HydrophobicContact CD2-CG2 3.18Å; F400-I419 HydrophobicContact CE2-CB 4.03Å; F400-I419 HydrophobicContact CE2-CD1 3.77Å; F400-I419 HydrophobicContact CE2-CG2 3.5Å; F400-I419 HydrophobicContact CG-CG2 3.93Å; F400-I419 HydrophobicContact CZ-CD1 4.08Å; F400-I419 HydrophobicContact CZ-CG2 4.47Å; F400-L420 HydrophobicContact CD2-CD2 4.41Å
401	G	91	Very high	91.6	Very high	34 Å²	34	80.3 Å²	80.3	35%	0.351	42%	0.415	S	S	.	.	H	α-helix	trans	-58.7	-41	179.2	0	0	0	0	0	112.7	K397 E398 Y405	K397-G401 PolarHBondContact O-N 3.49Å; E398-G401 PolarHBondContact O-N 2.68Å; G401-Y405 WeakPolarHBondContact O-CB 3.35Å; G401-Y405 PolarHBondContact O-N 3.4Å
402	K	90.8	Very high	91.4	Very high	145 Å²	145	82.1 Å²	82.1	63%	0.63	42%	0.42	S	S	*	.	H	α-helix	trans	-64.5	-49.4	175.8	-172.1	177.1	179.3	-179.5	0	112.5	E398 K399 F400 L404 Y405 D406	E398-K402 PolarHBondContact O-N 3.27Å; K399-K402 PolarHBondContact O-N 2.91Å; F400-K402 VanDerWaalsContact C-N 3.31Å; F400-K402 PolarHBondContact O-N 3.07Å; K402-L404 VanDerWaalsContact C-N 3.31Å; K402-L404 PolarHBondContact O-N 3.48Å; K402-Y405 PolarHBondContact O-N 3.47Å; K402-D406 PolarHBondContact O-N 3.21Å
403	K	88.9	Confident	91	Very high	65 Å²	65	88.2 Å²	88.2	28%	0.283	45%	0.452	S	S	.	.	H	α-helix	trans	-61.2	-40.4	177.7	-73.2	-177.4	-179.5	-179.3	0	111.9	K399 F400 D406 A407 I419 D421	K399-K403 PolarHBondContact O-N 3.32Å; F400-K403 PolarHBondContact O-N 3.14Å; K403-D406 PolarHBondContact O-N 3.44Å; K403-A407 PolarHBondContact O-N 3.27Å; K403-A407 VanDerWaalsContact O-N 3.08Å; K403-I419 HydrophobicContact CB-CG2 4.13Å; K403-I419 HydrophobicContact CD-CG2 4.13Å; K403-I419 WeakPolarHBondContact CD-O 3.34Å; K403-I419 PolarHBondContact NZ-O 3.38Å; K403-D421 IonicContact NZ-OD1 3.12Å; K403-D421 PolarHBondContact NZ-OD1 3.18Å; K403-D421 IonicContact NZ-OD2 3.94Å; K403-D421 PolarHBondContact NZ-OD2 2.99Å
404	L	90.7	Very high	90.6	Very high	51 Å²	51	86.6 Å²	86.6	27%	0.267	44%	0.437	S	S	.	.	H	α-helix	trans	-61.1	-48	175.5	176.6	60.8	0	0	0	111	F400 K402 D406 A407 L408 P414	F400-L404 HydrophobicContact CE1-CB 4.4Å; F400-L404 HydrophobicContact CE1-CD2 3.93Å; F400-L404 WeakPolarHBondContact O-CB 2.99Å; F400-L404 PolarHBondContact O-N 2.85Å; K402-L404 VanDerWaalsContact C-N 3.31Å; K402-L404 PolarHBondContact O-N 3.48Å; L404-D406 PolarHBondContact O-N 3.26Å; L404-A407 PolarHBondContact O-N 2.95Å; L404-L408 HydrophobicContact CD1-CD1 4.1Å; L404-L408 HydrophobicContact CD1-CG 4.2Å; L404-L408 HydrophobicContact CG-CD1 4.08Å; L404-L408 VanDerWaalsContact O-CG 3.28Å; L404-L408 WeakPolarHBondContact O-CG 3.42Å; L404-L408 PolarHBondContact O-N 3Å; L404-P414 HydrophobicContact CD1-CG 3.5Å; L404-P414 VanDerWaalsContact CD1-CG 3.5Å
405	Y	91.6	Very high	90	Very high	145 Å²	145	86.5 Å²	86.5	57%	0.569	44%	0.439	S	S	*	.	H	α-helix	trans	-60.5	-45.3	177.6	-179.7	-108.9	0	0	0	112.4	G401 K402 A407 L408 L409	G401-Y405 WeakPolarHBondContact O-CB 3.35Å; G401-Y405 PolarHBondContact O-N 3.4Å; K402-Y405 PolarHBondContact O-N 3.47Å; Y405-A407 VanDerWaalsContact C-N 3.32Å; Y405-A407 PolarHBondContact O-N 3.3Å; Y405-L408 PolarHBondContact O-N 2.86Å; Y405-L409 HydrophobicContact CD1-CD1 3.89Å; Y405-L409 HydrophobicContact CD1-CG 4.4Å; Y405-L409 HydrophobicContact CE1-CD1 3.37Å; Y405-L409 HydrophobicContact CE1-CG 4.05Å; Y405-L409 HydrophobicContact CE2-CD1 4.42Å; Y405-L409 HydrophobicContact CE2-CD2 4.36Å; Y405-L409 HydrophobicContact CE2-CG 4.23Å; Y405-L409 WeakPolarHBondContact O-CG 3.21Å; Y405-L409 PolarHBondContact O-N 2.91Å
406	D	90.8	Very high	89.2	Confident	67 Å²	67	88.8 Å²	88.8	36%	0.358	44%	0.444	S	S	.	.	H	α-helix	trans	-62.5	-37.1	179.3	-71.4	-21.1	0	0	0	112.4	K402 K403 L404 R410	K402-D406 PolarHBondContact O-N 3.21Å; K403-D406 PolarHBondContact O-N 3.44Å; L404-D406 PolarHBondContact O-N 3.26Å; D406-R410 WeakPolarHBondContact O-CG 3.2Å; D406-R410 PolarHBondContact O-N 3.42Å
407	A	89.1	Confident	88.4	Confident	12 Å²	12	94.6 Å²	94.6	10%	0.099	48%	0.475	C	S	.	.	H	α-helix	trans	-70.4	-44	175.5	0	0	0	0	0	112.2	K403 L404 Y405 L409 R410 G411 E412 P414	K403-A407 PolarHBondContact O-N 3.27Å; K403-A407 VanDerWaalsContact O-N 3.08Å; L404-A407 PolarHBondContact O-N 2.95Å; Y405-A407 VanDerWaalsContact C-N 3.32Å; Y405-A407 PolarHBondContact O-N 3.3Å; A407-L409 VanDerWaalsContact C-N 3.3Å; A407-L409 PolarHBondContact O-N 3.45Å; A407-R410 WeakPolarHBondContact O-CA 3.16Å; A407-R410 WeakPolarHBondContact O-CB 3.43Å; A407-R410 PolarHBondContact O-N 2.97Å; A407-G411 PolarHBondContact O-N 3.39Å; A407-E412 CarbonylContact C-O 3.6Å; A407-E412 PolarHBondContact O-N 3.42Å; A407-P414 HydrophobicContact CB-CB 3.59Å; A407-P414 HydrophobicContact CB-CG 3.69Å
408	L	91.7	Very high	87.6	Confident	104 Å²	104	95.3 Å²	95.3	55%	0.545	48%	0.484	S	S	.	.	H	α-helix	trans	-61.3	-38.1	176.5	-69.5	174.6	0	0	0	111.9	L404 Y405 R410 G411	L404-L408 HydrophobicContact CD1-CD1 4.1Å; L404-L408 HydrophobicContact CD1-CG 4.2Å; L404-L408 HydrophobicContact CG-CD1 4.08Å; L404-L408 VanDerWaalsContact O-CG 3.28Å; L404-L408 WeakPolarHBondContact O-CG 3.42Å; L404-L408 PolarHBondContact O-N 3Å; Y405-L408 PolarHBondContact O-N 2.86Å; L408-R410 PolarHBondContact O-N 2.88Å; L408-G411 PolarHBondContact O-N 2.9Å
409	L	93.4	Very high	86.9	Confident	112 Å²	112	90.7 Å²	90.7	59%	0.586	46%	0.462	S	S	*	.	H	α-helix	trans	-62.1	-27.1	173.8	-78.3	-179.6	0	0	0	113.3	Y405 A407 G411	Y405-L409 HydrophobicContact CD1-CD1 3.89Å; Y405-L409 HydrophobicContact CD1-CG 4.4Å; Y405-L409 HydrophobicContact CE1-CD1 3.37Å; Y405-L409 HydrophobicContact CE1-CG 4.05Å; Y405-L409 HydrophobicContact CE2-CD1 4.42Å; Y405-L409 HydrophobicContact CE2-CD2 4.36Å; Y405-L409 HydrophobicContact CE2-CG 4.23Å; Y405-L409 WeakPolarHBondContact O-CG 3.21Å; Y405-L409 PolarHBondContact O-N 2.91Å; A407-L409 VanDerWaalsContact C-N 3.3Å; A407-L409 PolarHBondContact O-N 3.45Å; L409-G411 VanDerWaalsContact C-N 3.32Å
410	R	92.7	Very high	86.6	Confident	190 Å²	190	89.2 Å²	89.2	72%	0.717	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-3	176.2	-65.2	173.2	-171.5	-143.4	1.1	113	D406 A407 L408 E412	D406-R410 WeakPolarHBondContact O-CG 3.2Å; D406-R410 PolarHBondContact O-N 3.42Å; A407-R410 WeakPolarHBondContact O-CA 3.16Å; A407-R410 WeakPolarHBondContact O-CB 3.43Å; A407-R410 PolarHBondContact O-N 2.97Å; L408-R410 PolarHBondContact O-N 2.88Å; R410-E412 VanDerWaalsContact C-N 3.27Å; R410-E412 HydrophobicContact CB-CG 4.33Å
411	G	92.1	Very high	86.4	Confident	72 Å²	72	89.8 Å²	89.8	74%	0.742	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.3	16.9	-174.5	0	0	0	0	0	113.6	A407 L408 L409	A407-G411 PolarHBondContact O-N 3.39Å; L408-G411 PolarHBondContact O-N 2.9Å; L409-G411 VanDerWaalsContact C-N 3.32Å
412	E	89.9	Confident	86.2	Confident	121 Å²	121	97.5 Å²	97.5	57%	0.565	48%	0.483	S	S	*	.			trans	-102.9	140.3	179.9	-65.6	175.1	-175	0	0	110.1	A407 R410 P414	A407-E412 CarbonylContact C-O 3.6Å; A407-E412 PolarHBondContact O-N 3.42Å; R410-E412 VanDerWaalsContact C-N 3.27Å; R410-E412 HydrophobicContact CB-CG 4.33Å; E412-P414 WeakPolarHBondContact O-CD 3.47Å
413	I	85.6	Confident	86.1	Confident	158 Å²	158	95.7 Å²	95.7	81%	0.81	48%	0.48	S	S	*	.			trans	-85.4	114.2	167.2	-60.8	174	0	0	0	106.7
414	P	82.3	Confident	86	Confident	20 Å²	20	92.8 Å²	92.8	13%	0.13	47%	0.468	C	S	.	.			trans	-69.7	139.2	-175.7	26.2	-32	0	0	0	111.6	L404 A407 E412 M416 I419	L404-P414 HydrophobicContact CD1-CG 3.5Å; L404-P414 VanDerWaalsContact CD1-CG 3.5Å; A407-P414 HydrophobicContact CB-CB 3.59Å; A407-P414 HydrophobicContact CB-CG 3.69Å; E412-P414 WeakPolarHBondContact O-CD 3.47Å; P414-M416 PolarHBondContact O-N 3.2Å; P414-I419 HydrophobicContact CB-CD1 3.67Å; P414-I419 HydrophobicContact CB-CG1 3.93Å; P414-I419 HydrophobicContact CG-CD1 3.8Å
415	D	82.3	Confident	85.9	Confident	82 Å²	82	94.1 Å²	94.1	44%	0.439	48%	0.475	S	S	.	.			trans	-70.3	114.4	175.8	177.4	6.5	0	0	0	110.6	N417 N418 I419	D415-N417 PolarHBondContact O-N 2.95Å; D415-N417 VanDerWaalsContact O-N 3.09Å; D415-N417 PolarHBondContact OD1-N 2.98Å; D415-N418 HydrophobicContact CB-CB 4.39Å; D415-N418 PolarHBondContact O-N 3.06Å; D415-N418 PolarHBondContact OD2-ND2 2.77Å; D415-I419 WeakPolarHBondContact O-CG1 3.31Å; D415-I419 PolarHBondContact O-N 3.31Å
416	M	75.2	Confident	85.9	Confident	106 Å²	106	90.4 Å²	90.4	52%	0.522	47%	0.467	S	S	.	.	H	α-helix	trans	-58.2	-25.3	-177.1	-63.9	-65	150.6	0	0	113.4	F400 P414 N418 I419	F400-M416 HydrophobicContact CE2-SD 4.15Å; F400-M416 HydrophobicContact CZ-SD 3.93Å; P414-M416 PolarHBondContact O-N 3.2Å; M416-N418 VanDerWaalsContact C-N 3.31Å; M416-I419 HydrophobicContact CE-CD1 3.98Å; M416-I419 HydrophobicContact SD-CD1 3.7Å
417	N	75.1	Confident	85.9	Confident	138 Å²	138	90.8 Å²	90.8	74%	0.738	47%	0.469	S	S	*	.	H	α-helix	trans	-74.5	-21.8	176.6	-65.3	-46.1	0	0	0	113.2	D415	D415-N417 PolarHBondContact O-N 2.95Å; D415-N417 VanDerWaalsContact O-N 3.09Å; D415-N417 PolarHBondContact OD1-N 2.98Å
418	N	75.1	Confident	86	Confident	120 Å²	120	92.8 Å²	92.8	64%	0.642	48%	0.476	S	S	*	.	H	α-helix	trans	-108.5	-5.9	-175.4	-71.7	-36.5	0	0	0	113.5	D415 M416	D415-N418 HydrophobicContact CB-CB 4.39Å; D415-N418 PolarHBondContact O-N 3.06Å; D415-N418 PolarHBondContact OD2-ND2 2.77Å; M416-N418 VanDerWaalsContact C-N 3.31Å
419	I	78.3	Confident	86	Confident	9 Å²	9	94 Å²	94	5%	0.046	48%	0.477	C	S	.	.	H	α-helix	trans	-72	-35	177.5	-66.8	169.7	0	0	0	111.4	F400 K403 P414 D415 M416	F400-I419 HydrophobicContact CB-CG2 4.36Å; F400-I419 HydrophobicContact CD2-CB 4.11Å; F400-I419 HydrophobicContact CD2-CG2 3.18Å; F400-I419 HydrophobicContact CE2-CB 4.03Å; F400-I419 HydrophobicContact CE2-CD1 3.77Å; F400-I419 HydrophobicContact CE2-CG2 3.5Å; F400-I419 HydrophobicContact CG-CG2 3.93Å; F400-I419 HydrophobicContact CZ-CD1 4.08Å; F400-I419 HydrophobicContact CZ-CG2 4.47Å; K403-I419 HydrophobicContact CB-CG2 4.13Å; K403-I419 HydrophobicContact CD-CG2 4.13Å; K403-I419 WeakPolarHBondContact CD-O 3.34Å; K403-I419 PolarHBondContact NZ-O 3.38Å; P414-I419 HydrophobicContact CB-CD1 3.67Å; P414-I419 HydrophobicContact CB-CG1 3.93Å; P414-I419 HydrophobicContact CG-CD1 3.8Å; D415-I419 WeakPolarHBondContact O-CG1 3.31Å; D415-I419 PolarHBondContact O-N 3.31Å; M416-I419 HydrophobicContact CE-CD1 3.98Å; M416-I419 HydrophobicContact SD-CD1 3.7Å
420	L	83	Confident	85.8	Confident	60 Å²	60	97.7 Å²	97.7	31%	0.314	48%	0.483	S	S	.	.	S	Bend	trans	-93.9	125.2	178.9	-66.5	174.9	0	0	0	110.9	V396 F400 M428	V396-L420 HydrophobicContact CG1-CD2 3.47Å; V396-L420 VanDerWaalsContact CG1-CD2 3.47Å; F400-L420 HydrophobicContact CD2-CD2 4.41Å; L420-M428 HydrophobicContact CD1-CE 4.4Å
421	D	84.6	Confident	85.7	Confident	75 Å²	75	88.8 Å²	88.8	40%	0.401	45%	0.45	S	S	.	.			trans	-82.6	161	-178.5	-58.4	-31.5	0	0	0	111.2	K403 D423 D424 L425	K403-D421 IonicContact NZ-OD1 3.12Å; K403-D421 PolarHBondContact NZ-OD1 3.18Å; K403-D421 IonicContact NZ-OD2 3.94Å; K403-D421 PolarHBondContact NZ-OD2 2.99Å; D421-D423 PolarHBondContact O-N 3.04Å; D421-D423 VanDerWaalsContact O-N 3.16Å; D421-D424 PolarHBondContact N-OD2 3.46Å; D421-D424 WeakPolarHBondContact O-CB 3.36Å; D421-D424 PolarHBondContact O-N 3.23Å; D421-L425 PolarHBondContact O-N 3.17Å; D421-L425 VanDerWaalsContact O-N 3.11Å
422	R	86.7	Confident	85.5	Confident	196 Å²	196	90.2 Å²	90.2	74%	0.74	44%	0.44	S	S	*	.	H	α-helix	trans	-56.7	-33.1	177.4	-166.4	-175.7	73.9	177.4	1.7	112.5	L425 T426	R422-L425 PolarHBondContact O-N 2.69Å; R422-T426 WeakPolarHBondContact O-CB 3.44Å; R422-T426 PolarHBondContact O-N 3.17Å; R422-T426 PolarHBondContact O-OG1 2.95Å
423	D	88.2	Confident	85.5	Confident	106 Å²	106	90.7 Å²	90.7	57%	0.567	44%	0.44	S	S	*	.	H	α-helix	trans	-70	-39.3	179	-67.3	-13.1	0	0	0	111.3	D421 T426 I427	D421-D423 PolarHBondContact O-N 3.04Å; D421-D423 VanDerWaalsContact O-N 3.16Å; D423-T426 WeakPolarHBondContact O-CB 3.45Å; D423-T426 PolarHBondContact O-N 3.35Å; D423-T426 VanDerWaalsContact O-N 3.17Å; D423-I427 WeakPolarHBondContact O-CG1 3.39Å; D423-I427 PolarHBondContact O-N 3.36Å
424	D	88.1	Confident	85.5	Confident	4 Å²	4	85 Å²	85	2%	0.021	42%	0.415	C	S	.	.	H	α-helix	trans	-63.1	-44.5	174.5	-62.1	-40.8	0	0	0	110.5	V396 K399 D421 T426 I427 M428	V396-D424 HydrophobicContact CG2-CB 4.22Å; K399-D424 IonicContact NZ-OD1 3.77Å; K399-D424 PolarHBondContact NZ-OD1 2.94Å; D421-D424 PolarHBondContact N-OD2 3.46Å; D421-D424 WeakPolarHBondContact O-CB 3.36Å; D421-D424 PolarHBondContact O-N 3.23Å; D424-T426 VanDerWaalsContact C-N 3.28Å; D424-T426 PolarHBondContact O-N 2.78Å; D424-I427 PolarHBondContact O-N 3.21Å; D424-M428 WeakPolarHBondContact O-CB 3.11Å; D424-M428 WeakPolarHBondContact O-CG 2.9Å; D424-M428 PolarHBondContact O-N 2.97Å
425	L	88.8	Confident	85.8	Confident	80 Å²	80	85.5 Å²	85.5	42%	0.419	42%	0.417	S	S	.	.	H	α-helix	trans	-59.5	-38.6	173.6	-69.5	173.6	0	0	0	112.3	D421 R422 M428 K429	D421-L425 PolarHBondContact O-N 3.17Å; D421-L425 VanDerWaalsContact O-N 3.11Å; R422-L425 PolarHBondContact O-N 2.69Å; L425-M428 HydrophobicContact CD2-CE 3.88Å; L425-K429 WeakPolarHBondContact O-CB 3.48Å; L425-K429 VanDerWaalsContact O-CG 3.28Å; L425-K429 WeakPolarHBondContact O-CG 3.13Å; L425-K429 PolarHBondContact O-N 3.4Å
426	T	91.6	Very high	86	Confident	67 Å²	67	87.8 Å²	87.8	41%	0.411	43%	0.425	S	S	.	.	H	α-helix	trans	-68.3	-43.9	179.3	-59.2	0	0	0	0	111.4	R422 D423 D424 K429 R430	R422-T426 WeakPolarHBondContact O-CB 3.44Å; R422-T426 PolarHBondContact O-N 3.17Å; R422-T426 PolarHBondContact O-OG1 2.95Å; D423-T426 WeakPolarHBondContact O-CB 3.45Å; D423-T426 PolarHBondContact O-N 3.35Å; D423-T426 VanDerWaalsContact O-N 3.17Å; D424-T426 VanDerWaalsContact C-N 3.28Å; D424-T426 PolarHBondContact O-N 2.78Å; T426-K429 PolarHBondContact O-N 3.25Å; T426-R430 WeakPolarHBondContact O-CG 3.15Å; T426-R430 PolarHBondContact O-N 2.92Å
427	I	90.4	Very high	86.6	Confident	75 Å²	75	84.1 Å²	84.1	39%	0.385	41%	0.406	S	S	.	.	H	α-helix	trans	-65.6	-43.7	177.7	-66	166.7	0	0	0	110.4	I392 D423 D424 K429 R430 A431	I392-I427 HydrophobicContact CB-CG2 4.48Å; I392-I427 HydrophobicContact CD1-CG2 3.82Å; I392-I427 HydrophobicContact CG1-CG2 3.93Å; I392-I427 HydrophobicContact CG2-CG2 3.73Å; D423-I427 WeakPolarHBondContact O-CG1 3.39Å; D423-I427 PolarHBondContact O-N 3.36Å; D424-I427 PolarHBondContact O-N 3.21Å; I427-K429 PolarHBondContact O-N 3.19Å; I427-R430 PolarHBondContact O-N 2.78Å; I427-A431 WeakPolarHBondContact O-CB 3.33Å; I427-A431 PolarHBondContact O-N 3.33Å
428	M	90	Very high	87	Confident	53 Å²	53	86.6 Å²	86.6	26%	0.261	41%	0.413	S	S	.	.	H	α-helix	trans	-60.7	-45.2	175.2	-73.4	-171.3	-71.8	0	0	111.9	I392 V396 L420 D424 L425 R430 A431 I432	I392-M428 HydrophobicContact CG2-CG 4.21Å; V396-M428 HydrophobicContact CG1-SD 4.45Å; V396-M428 HydrophobicContact CG2-CG 4.38Å; V396-M428 HydrophobicContact CG2-SD 4.44Å; L420-M428 HydrophobicContact CD1-CE 4.4Å; D424-M428 WeakPolarHBondContact O-CB 3.11Å; D424-M428 WeakPolarHBondContact O-CG 2.9Å; D424-M428 PolarHBondContact O-N 2.97Å; L425-M428 HydrophobicContact CD2-CE 3.88Å; M428-R430 PolarHBondContact O-N 3.32Å; M428-A431 WeakPolarHBondContact O-CB 3.09Å; M428-A431 PolarHBondContact O-N 3.11Å; M428-I432 WeakPolarHBondContact O-CG1 3.09Å; M428-I432 PolarHBondContact O-N 3.04Å
429	K	91.6	Very high	87.9	Confident	130 Å²	130	83.4 Å²	83.4	57%	0.565	40%	0.4	S	S	*	.	H	α-helix	trans	-59.5	-45.2	175	-76.5	175.3	-179.3	179.9	0	111.9	L425 T426 I427 A431 I432 F433	L425-K429 WeakPolarHBondContact O-CB 3.48Å; L425-K429 VanDerWaalsContact O-CG 3.28Å; L425-K429 WeakPolarHBondContact O-CG 3.13Å; L425-K429 PolarHBondContact O-N 3.4Å; T426-K429 PolarHBondContact O-N 3.25Å; I427-K429 PolarHBondContact O-N 3.19Å; K429-A431 VanDerWaalsContact C-N 3.29Å; K429-A431 PolarHBondContact O-N 3.47Å; K429-I432 PolarHBondContact O-N 2.81Å; K429-F433 HydrophobicContact CB-CE2 4.37Å; K429-F433 WeakPolarHBondContact O-CD2 3.34Å; K429-F433 PolarHBondContact O-N 3.48Å
430	R	91	Very high	88.7	Confident	190 Å²	190	86.2 Å²	86.2	72%	0.717	42%	0.415	S	S	*	.	H	α-helix	trans	-59.1	-40.5	175.8	-75.6	-179.8	74	179.8	3.4	112	T426 I427 M428 F433 S434	T426-R430 WeakPolarHBondContact O-CG 3.15Å; T426-R430 PolarHBondContact O-N 2.92Å; I427-R430 PolarHBondContact O-N 2.78Å; M428-R430 PolarHBondContact O-N 3.32Å; R430-F433 PolarHBondContact O-N 3.33Å; R430-S434 PolarHBondContact O-N 3.24Å
431	A	88.9	Confident	89.4	Confident	2 Å²	2	83.4 Å²	83.4	2%	0.017	40%	0.4	C	S	.	.	H	α-helix	trans	-66.9	-39.6	176.6	0	0	0	0	0	111.8	L389 I392 I427 M428 K429 F433 S434 T435	L389-A431 HydrophobicContact CD2-CB 3.64Å; I392-A431 HydrophobicContact CD1-CB 3.54Å; I427-A431 WeakPolarHBondContact O-CB 3.33Å; I427-A431 PolarHBondContact O-N 3.33Å; M428-A431 WeakPolarHBondContact O-CB 3.09Å; M428-A431 PolarHBondContact O-N 3.11Å; K429-A431 VanDerWaalsContact C-N 3.29Å; K429-A431 PolarHBondContact O-N 3.47Å; A431-F433 VanDerWaalsContact C-N 3.34Å; A431-F433 PolarHBondContact O-N 3.03Å; A431-S434 PolarHBondContact O-N 3.4Å; A431-S434 PolarHBondContact O-OG 3Å; A431-T435 WeakPolarHBondContact O-CG2 3.49Å
432	I	89.8	Confident	90	Very high	102 Å²	102	81 Å²	81	52%	0.523	39%	0.389	S	S	.	.	H	α-helix	trans	-62.2	-43.3	174	-67.9	164.7	0	0	0	110.6	M428 K429 S434 T435	M428-I432 WeakPolarHBondContact O-CG1 3.09Å; M428-I432 PolarHBondContact O-N 3.04Å; K429-I432 PolarHBondContact O-N 2.81Å; I432-S434 PolarHBondContact O-N 2.69Å; I432-T435 WeakPolarHBondContact O-CB 3.43Å; I432-T435 PolarHBondContact O-N 2.91Å; I432-T435 PolarHBondContact O-OG1 3.22Å
433	F	89.6	Confident	90.5	Very high	132 Å²	132	73 Å²	73	58%	0.579	36%	0.361	S	S	*	.	H	α-helix	trans	-61.4	-30.9	177.7	-74.5	-62.3	0	0	0	113.1	K429 R430 A431 T435 Q436	K429-F433 HydrophobicContact CB-CE2 4.37Å; K429-F433 WeakPolarHBondContact O-CD2 3.34Å; K429-F433 PolarHBondContact O-N 3.48Å; R430-F433 PolarHBondContact O-N 3.33Å; A431-F433 VanDerWaalsContact C-N 3.34Å; A431-F433 PolarHBondContact O-N 3.03Å; F433-T435 PolarHBondContact O-N 2.94Å; F433-Q436 PolarHBondContact O-N 2.98Å
434	S	85.9	Confident	91	Very high	39 Å²	39	68.7 Å²	68.7	27%	0.273	34%	0.339	S	S	.	.	H	α-helix	trans	-72.1	-13.5	176.1	71.2	0	0	0	0	113.8	R430 A431 I432 Q436	R430-S434 PolarHBondContact O-N 3.24Å; A431-S434 PolarHBondContact O-N 3.4Å; A431-S434 PolarHBondContact O-OG 3Å; I432-S434 PolarHBondContact O-N 2.69Å; S434-Q436 VanDerWaalsContact C-N 3.33Å
435	T	87.8	Confident	91.4	Very high	30 Å²	30	68.5 Å²	68.5	18%	0.184	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-12.2	175.1	73.1	0	0	0	0	114	G314 V385 L389 A431 I432 F433 R437	G314-T435 WeakPolarHBondContact CA-O 3.47Å; V385-T435 HydrophobicContact CG1-CG2 4.07Å; L389-T435 HydrophobicContact CD1-CG2 3.58Å; L389-T435 HydrophobicContact CD2-CG2 4.1Å; L389-T435 HydrophobicContact CG-CG2 4.22Å; A431-T435 WeakPolarHBondContact O-CG2 3.49Å; I432-T435 WeakPolarHBondContact O-CB 3.43Å; I432-T435 PolarHBondContact O-N 2.91Å; I432-T435 PolarHBondContact O-OG1 3.22Å; F433-T435 PolarHBondContact O-N 2.94Å; T435-R437 PolarHBondContact O-N 3.25Å
436	Q	86.6	Confident	91.8	Very high	129 Å²	129	64.9 Å²	64.9	60%	0.603	32%	0.318	S	S	*	.			trans	-67.7	128.4	-178	-66.7	-173.3	-9.7	0	0	110.5	F433 S434	F433-Q436 PolarHBondContact O-N 2.98Å; S434-Q436 VanDerWaalsContact C-N 3.33Å
437	R	87.3	Confident	92.1	Very high	30 Å²	30	65.2 Å²	65.2	11%	0.113	32%	0.318	C	S	.	.			trans	-141.2	138.2	-177	-173.6	-171.2	-179.4	-179.7	-10.5	110.1	Y313 E378 T435 S439 L440	Y313-R437 HydrophobicContact CD2-CB 4.42Å; Y313-R437 HydrophobicContact CE2-CB 3.81Å; Y313-R437 HydrophobicContact CE2-CG 4.15Å; E378-R437 IonicContact OE2-CZ 2.66Å; E378-R437 IonicContact OE2-NE 3.69Å; E378-R437 PolarHBondContact OE2-NE 3.25Å; E378-R437 IonicContact OE2-NH2 3.76Å; T435-R437 PolarHBondContact O-N 3.25Å; R437-S439 WeakPolarHBondContact CD-O 3.45Å; R437-S439 WeakPolarHBondContact CG-O 3.46Å; R437-S439 PolarHBondContact NE-O 3.25Å; R437-S439 PolarHBondContact NE-OG 3.03Å; R437-S439 PolarHBondContact NH2-OG 3.45Å; R437-L440 VanDerWaalsContact CZ-O 3.26Å; R437-L440 PolarHBondContact NH2-O 3.49Å
438	Q	84.8	Confident	92.4	Very high	190 Å²	190	62.5 Å²	62.5	89%	0.888	30%	0.304	S	S	*	.	S	Bend	trans	-95.1	-27.2	177.8	-61.4	-61.6	-22.9	0	0	113.4
439	S	93.1	Very high	92.6	Very high	53 Å²	53	64.9 Å²	64.9	37%	0.371	32%	0.316	S	S	.	.	S	Bend	trans	-86.4	153.2	177.6	54.2	0	0	0	0	112.4	H315 R437	H315-S439 PolarHBondContact CE1-O 3.39Å; R437-S439 WeakPolarHBondContact CD-O 3.45Å; R437-S439 WeakPolarHBondContact CG-O 3.46Å; R437-S439 PolarHBondContact NE-O 3.25Å; R437-S439 PolarHBondContact NE-OG 3.03Å; R437-S439 PolarHBondContact NH2-OG 3.45Å
440	L	95.5	Very high	92.7	Very high	68 Å²	68	62.9 Å²	62.9	36%	0.356	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-70.5	153.3	173.5	-66	175.5	0	0	0	111.6	R437 F466 N468	R437-L440 VanDerWaalsContact CZ-O 3.26Å; R437-L440 PolarHBondContact NH2-O 3.49Å; L440-F466 HydrophobicContact CD1-CB 4.27Å; L440-N468 VanDerWaalsContact CD1-OD1 3.27Å; L440-N468 WeakPolarHBondContact CD1-OD1 3.39Å
441	P	96.8	Very high	93	Very high	1 Å²	1	57 Å²	57	1%	0.006	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-50.8	123.6	172	-26.1	35.8	0	0	0	111.5	F312 H315 N467	F312-P441 HydrophobicContact CB-CG 4.48Å; F312-P441 HydrophobicContact CD1-CB 3.65Å; F312-P441 HydrophobicContact CD1-CG 3.48Å; F312-P441 VanDerWaalsContact CD1-CG 3.48Å; F312-P441 HydrophobicContact CE1-CB 3.68Å; F312-P441 HydrophobicContact CE1-CG 3.88Å; F312-P441 HydrophobicContact CG-CB 4.17Å; F312-P441 HydrophobicContact CG-CG 4.17Å; F312-P441 HydrophobicContact CZ-CB 4.24Å; H315-P441 HydrophobicContact CB-CG 3.65Å; P441-N467 HydrophobicContact CB-CB 4.12Å; P441-N467 PolarHBondContact O-ND2 3.04Å
442	P	97	Very high	93.2	Very high	25 Å²	25	61.3 Å²	61.3	16%	0.162	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-66.6	143.8	-171.8	29.3	-33.1	0	0	0	110.3	H311 N376 T444	H311-P442 PolarHBondContact CE1-O 2.67Å; H311-P442 PolarHBondContact NE2-O 3.39Å; N376-P442 WeakPolarHBondContact ND2-CG 3.45Å; P442-T444 VanDerWaalsContact C-N 3.29Å
443	V	97.8	Very high	93.5	Very high	26 Å²	26	61.3 Å²	61.3	16%	0.158	33%	0.329	C	S	.	.	S	Bend	trans	-79.4	-12.6	178.5	-62.3	0	0	0	0	112.8	L457 I460 V475 I476 L477	V443-L457 HydrophobicContact CG2-CD2 3.86Å; V443-I460 HydrophobicContact CB-CD1 4.47Å; V443-I460 HydrophobicContact CB-CG2 4.34Å; V443-I460 HydrophobicContact CG1-CG2 4.06Å; V443-I460 HydrophobicContact CG2-CG2 4.32Å; V443-V475 HydrophobicContact CB-CG2 4.22Å; V443-V475 HydrophobicContact CG1-CG2 3.92Å; V443-I476 CarbonylContact O-C 3.42Å; V443-I476 WeakPolarHBondContact O-CA 3.46Å; V443-L477 WeakPolarHBondContact O-CB 3.46Å; V443-L477 PolarHBondContact O-N 3.08Å
444	T	97.7	Very high	93.9	Very high	16 Å²	16	55.6 Å²	55.6	10%	0.098	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-129	148.4	174.5	-179.1	0	0	0	0	110.5	N376 P442 H446 L457 L477	N376-T444 PolarHBondContact ND2-O 3.11Å; P442-T444 VanDerWaalsContact C-N 3.29Å; T444-H446 WeakPolarHBondContact CG2-O 3.4Å; T444-H446 PolarHBondContact OG1-N 2.83Å; T444-H446 PolarHBondContact OG1-O 3.49Å; T444-L457 HydrophobicContact CG2-CD2 4.43Å; T444-L477 CarbonylContact C-O 3.58Å; T444-L477 VanDerWaalsContact CA-O 3.29Å; T444-L477 WeakPolarHBondContact CA-O 3.2Å; T444-L477 PolarHBondContact OG1-O 3.4Å
445	T	97.7	Very high	94.4	Very high	0 Å²	0	56 Å²	56	0%	0	31%	0.307	C	S	.	.	S	Bend	trans	-89.6	-10.3	178.1	55.8	0	0	0	0	114.1	F307 N376 T379 I476 L477 H478 L488	F307-T445 HydrophobicContact CZ-CG2 3.98Å; N376-T445 VanDerWaalsContact CG-O 3.26Å; N376-T445 PolarHBondContact N-O 3.33Å; N376-T445 PolarHBondContact OD1-O 3.16Å; T379-T445 HydrophobicContact CG2-CG2 4.33Å; T445-I476 HydrophobicContact CG2-CG2 3.82Å; T445-L477 PolarHBondContact N-O 2.81Å; T445-L477 PolarHBondContact OG1-O 2.83Å; T445-H478 PolarHBondContact OG1-ND1 3.17Å; T445-L488 HydrophobicContact CG2-CD1 4.4Å
446	H	97.3	Very high	94.9	Very high	4 Å²	4	54.6 Å²	54.6	2%	0.019	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	161.8	-175.2	-65.6	74.2	0	0	0	111.8	T372 F375 T444 M448 H478 P479 E480	T372-H446 HydrophobicContact CG2-CB 3.82Å; F375-H446 AromaticContact CD1-CD2 3.64Å; F375-H446 AromaticContact CD1-CE1 3.68Å; F375-H446 AromaticContact CD1-NE2 3.21Å; F375-H446 WeakPolarHBondContact CD1-NE2 3.35Å; F375-H446 AromaticContact CE1-CD2 3.95Å; F375-H446 AromaticContact CE1-CE1 3.65Å; F375-H446 AromaticContact CE1-NE2 3.1Å; F375-H446 WeakPolarHBondContact CE1-NE2 3.42Å; T444-H446 WeakPolarHBondContact CG2-O 3.4Å; T444-H446 PolarHBondContact OG1-N 2.83Å; T444-H446 PolarHBondContact OG1-O 3.49Å; H446-M448 PolarHBondContact O-N 3.24Å; H446-H478 AromaticContact CE1-CE1 3.93Å; H446-P479 HydrophobicContact CB-CG 3.65Å; H446-P479 WeakPolarHBondContact ND1-CD 3.45Å; H446-E480 IonicContact CE1-OE2 3.01Å; H446-E480 IonicContact NE2-OE2 3.24Å; H446-E480 PolarHBondContact NE2-OE2 3.39Å; H446-E480 VanDerWaalsContact NE2-OE2 3.09Å
447	N	96.9	Very high	95.4	Very high	74 Å²	74	48.5 Å²	48.5	40%	0.396	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	112.3	166.8	-46	-61	0	0	0	108.2	T372 N373 N374 F375	T372-N447 CarbonylContact C-O 3.5Å; T372-N447 VanDerWaalsContact CA-O 3.3Å; T372-N447 WeakPolarHBondContact CA-O 3.33Å; N373-N447 PolarHBondContact N-O 3.3Å; N373-N447 WeakPolarHBondContact O-CB 3.42Å; N373-N447 PolarHBondContact O-ND2 3.45Å; N374-N447 PolarHBondContact O-N 2.94Å; N374-N447 VanDerWaalsContact O-N 3.14Å; F375-N447 PolarHBondContact O-ND2 3.49Å; F375-N447 VanDerWaalsContact O-ND2 3.13Å
448	M	96.6	Very high	95.9	Very high	19 Å²	19	49 Å²	49	9%	0.094	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	139.7	177.7	-59.2	-64.2	-71.8	0	0	109.9	Y332 A370 T372 H446 D451 D454 L457 P479	Y332-M448 HydrophobicContact CE2-CE 4.49Å; A370-M448 HydrophobicContact CB-CE 3.46Å; A370-M448 VanDerWaalsContact CB-CE 3.46Å; A370-M448 HydrophobicContact CB-SD 4.37Å; T372-M448 HydrophobicContact CG2-SD 3.85Å; H446-M448 PolarHBondContact O-N 3.24Å; M448-D451 HydrophobicContact CB-CB 3.98Å; M448-D454 WeakPolarHBondContact CE-OD2 3.43Å; M448-L457 HydrophobicContact CB-CD1 4.41Å; M448-L457 HydrophobicContact CG-CD1 3.68Å; M448-P479 HydrophobicContact CE-CB 4.23Å; M448-P479 HydrophobicContact SD-CB 3.71Å; M448-P479 HydrophobicContact SD-CG 3.57Å; M448-P479 VanDerWaalsContact SD-CG 3.57Å
449	I	95.8	Very high	96.6	Very high	102 Å²	102	40.7 Å²	40.7	52%	0.523	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-46.2	174.7	-62.6	-171.1	0	0	0	110	K371	K371-I449 HydrophobicContact CB-CB 4.32Å; K371-I449 HydrophobicContact CB-CD1 3.89Å; K371-I449 HydrophobicContact CB-CG1 4.19Å; K371-I449 PolarHBondContact O-N 3.44Å; K371-I449 VanDerWaalsContact O-N 3.13Å
450	D	94.1	Very high	96.8	Very high	89 Å²	89	38.2 Å²	38.2	48%	0.476	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	46.4	-175.5	-60.8	-49.4	0	0	0	111.5	S452 T453 D454	D450-S452 VanDerWaalsContact C-N 3.28Å; D450-S452 PolarHBondContact O-N 2.81Å; D450-S452 VanDerWaalsContact O-N 3.14Å; D450-T453 PolarHBondContact O-N 2.99Å; D450-T453 PolarHBondContact O-OG1 2.67Å; D450-D454 WeakPolarHBondContact O-CB 3.27Å; D450-D454 PolarHBondContact O-N 3.01Å
451	D	95.3	Very high	96.9	Very high	67 Å²	67	39.7 Å²	39.7	36%	0.358	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-38.2	-172	179.8	-91.9	0	0	0	115.1	M448 L457 R461	M448-D451 HydrophobicContact CB-CB 3.98Å; D451-L457 WeakPolarHBondContact OD2-CD1 3.45Å; D451-R461 PolarHBondContact O-NH1 3.16Å; D451-R461 PolarHBondContact O-NH2 3.05Å; D451-R461 IonicContact OD1-CZ 3.69Å; D451-R461 IonicContact OD1-NH2 2.92Å; D451-R461 PolarHBondContact OD1-NH2 2.8Å; D451-R461 IonicContact OD2-NH2 3.46Å; D451-R461 PolarHBondContact OD2-NH2 3.34Å
452	S	94.4	Very high	97	Very high	92 Å²	92	47.3 Å²	47.3	64%	0.643	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-26.2	-175.3	62	0	0	0	0	113.5	D450 S458	D450-S452 VanDerWaalsContact C-N 3.28Å; D450-S452 PolarHBondContact O-N 2.81Å; D450-S452 VanDerWaalsContact O-N 3.14Å; S452-S458 PolarHBondContact O-OG 2.57Å
453	T	95.9	Very high	97	Very high	101 Å²	101	47.4 Å²	47.4	62%	0.62	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.7	-6.5	-179.7	54.4	0	0	0	0	112.7	D450	D450-T453 PolarHBondContact O-N 2.99Å; D450-T453 PolarHBondContact O-OG1 2.67Å
454	D	97.5	Very high	96.9	Very high	13 Å²	13	47.5 Å²	47.5	7%	0.07	26%	0.257	C	S	.	.			trans	-56.5	124.4	174.2	179.2	-85.2	0	0	0	110.5	Y332 M448 D450 I456 L457 S458	Y332-D454 PolarHBondContact OH-OD1 2.8Å; Y332-D454 PolarHBondContact OH-OD2 3.02Å; M448-D454 WeakPolarHBondContact CE-OD2 3.43Å; D450-D454 WeakPolarHBondContact O-CB 3.27Å; D450-D454 PolarHBondContact O-N 3.01Å; D454-I456 PolarHBondContact O-N 3.23Å; D454-I456 PolarHBondContact OD1-N 3.48Å; D454-I456 VanDerWaalsContact OD1-N 3.11Å; D454-L457 HydrophobicContact CB-CB 4.14Å; D454-L457 HydrophobicContact CB-CD1 4.22Å; D454-L457 HydrophobicContact CB-CG 4.31Å; D454-L457 WeakPolarHBondContact OD1-CB 3.49Å; D454-L457 WeakPolarHBondContact OD1-CG 3.45Å; D454-L457 PolarHBondContact OD1-N 2.78Å; D454-S458 WeakPolarHBondContact O-CB 3.42Å; D454-S458 PolarHBondContact O-N 3.45Å; D454-S458 PolarHBondContact O-OG 2.84Å
455	P	96.9	Very high	96.9	Very high	47 Å²	47	46.8 Å²	46.8	31%	0.305	25%	0.253	S	S	.	.	H	α-helix	trans	-71.6	-32.4	-170.5	27.2	-35.2	0	0	0	113.1	Y332 F334 T459	Y332-P455 HydrophobicContact CE1-CG 3.97Å; F334-P455 HydrophobicContact CB-CB 4.15Å; F334-P455 HydrophobicContact CB-CG 3.91Å; F334-P455 HydrophobicContact CD1-CB 3.78Å; F334-P455 HydrophobicContact CD1-CG 4.48Å; F334-P455 HydrophobicContact CD2-CB 3.89Å; F334-P455 HydrophobicContact CD2-CG 4.14Å; F334-P455 HydrophobicContact CE1-CB 4.08Å; F334-P455 HydrophobicContact CE2-CB 4.22Å; F334-P455 HydrophobicContact CG-CB 3.67Å; F334-P455 HydrophobicContact CG-CG 3.94Å; F334-P455 HydrophobicContact CZ-CB 4.31Å; P455-T459 VanDerWaalsContact O-CB 3.27Å; P455-T459 WeakPolarHBondContact O-CB 3.34Å; P455-T459 PolarHBondContact O-N 3.02Å; P455-T459 PolarHBondContact O-OG1 3.08Å
456	I	97.8	Very high	96.9	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-69.1	-52	176.7	-67.2	179.4	0	0	0	109.4	Y332 F334 L343 F366 M368 D454 S458 T459 I460 L477	Y332-I456 HydrophobicContact CE1-CD1 3.88Å; Y332-I456 HydrophobicContact CE1-CG1 4.1Å; Y332-I456 HydrophobicContact CE2-CD1 4.35Å; Y332-I456 WeakPolarHBondContact OH-CB 3.46Å; Y332-I456 WeakPolarHBondContact OH-CD1 3.37Å; Y332-I456 VanDerWaalsContact OH-CG1 3.32Å; Y332-I456 WeakPolarHBondContact OH-CG1 3.33Å; F334-I456 HydrophobicContact CD2-CG1 3.79Å; F334-I456 HydrophobicContact CE2-CG1 4.01Å; L343-I456 HydrophobicContact CD1-CG2 4.17Å; F366-I456 HydrophobicContact CD1-CD1 4.1Å; M368-I456 HydrophobicContact SD-CD1 3.79Å; D454-I456 PolarHBondContact O-N 3.23Å; D454-I456 PolarHBondContact OD1-N 3.48Å; D454-I456 VanDerWaalsContact OD1-N 3.11Å; I456-S458 PolarHBondContact O-N 3.19Å; I456-T459 PolarHBondContact O-N 2.95Å; I456-I460 HydrophobicContact CG2-CD1 3.81Å; I456-I460 HydrophobicContact CG2-CG1 4.49Å; I456-I460 WeakPolarHBondContact O-CG1 2.73Å; I456-I460 PolarHBondContact O-N 3.33Å; I456-L477 HydrophobicContact CB-CD2 4.37Å; I456-L477 HydrophobicContact CD1-CD1 3.98Å; I456-L477 HydrophobicContact CG2-CD1 4.29Å; I456-L477 HydrophobicContact CG2-CD2 4.08Å
457	L	98.2	Very high	96.9	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-64.1	-41.4	-179.9	-66.7	-177.8	0	0	0	112.1	V443 T444 M448 D451 D454 T459 I460 R461 L477	V443-L457 HydrophobicContact CG2-CD2 3.86Å; T444-L457 HydrophobicContact CG2-CD2 4.43Å; M448-L457 HydrophobicContact CB-CD1 4.41Å; M448-L457 HydrophobicContact CG-CD1 3.68Å; D451-L457 WeakPolarHBondContact OD2-CD1 3.45Å; D454-L457 HydrophobicContact CB-CB 4.14Å; D454-L457 HydrophobicContact CB-CD1 4.22Å; D454-L457 HydrophobicContact CB-CG 4.31Å; D454-L457 WeakPolarHBondContact OD1-CB 3.49Å; D454-L457 WeakPolarHBondContact OD1-CG 3.45Å; D454-L457 PolarHBondContact OD1-N 2.78Å; L457-T459 VanDerWaalsContact C-N 3.3Å; L457-T459 PolarHBondContact O-N 3.08Å; L457-I460 HydrophobicContact CD2-CD1 4.42Å; L457-I460 PolarHBondContact O-N 3.2Å; L457-R461 VanDerWaalsContact O-CG 3.31Å; L457-R461 WeakPolarHBondContact O-CG 3.44Å; L457-R461 PolarHBondContact O-N 2.8Å; L457-L477 HydrophobicContact CD1-CD2 4.49Å; L457-L477 HydrophobicContact CD2-CD2 3.83Å; L457-L477 HydrophobicContact CG-CD2 3.89Å
458	S	97.9	Very high	96.9	Very high	41 Å²	41	49.6 Å²	49.6	29%	0.287	26%	0.264	S	S	.	.	H	α-helix	trans	-61	-40.3	174.7	-62.5	0	0	0	0	111.8	S452 D454 I456 R461 R462	S452-S458 PolarHBondContact O-OG 2.57Å; D454-S458 WeakPolarHBondContact O-CB 3.42Å; D454-S458 PolarHBondContact O-N 3.45Å; D454-S458 PolarHBondContact O-OG 2.84Å; I456-S458 PolarHBondContact O-N 3.19Å; S458-R461 PolarHBondContact O-N 3.19Å; S458-R462 WeakPolarHBondContact O-CB 3.12Å; S458-R462 PolarHBondContact O-N 3.41Å
459	T	97.9	Very high	96.8	Very high	15 Å²	15	55.8 Å²	55.8	9%	0.092	29%	0.286	C	S	.	.	H	α-helix	trans	-68.6	-42.7	176.2	-61.1	0	0	0	0	111.8	F334 L343 P455 I456 L457 R461 R462 I463	F334-T459 VanDerWaalsContact CZ-OG1 3.31Å; F334-T459 WeakPolarHBondContact CZ-OG1 3.31Å; L343-T459 HydrophobicContact CB-CG2 3.81Å; L343-T459 HydrophobicContact CD1-CG2 3.66Å; L343-T459 HydrophobicContact CG-CG2 4.36Å; P455-T459 VanDerWaalsContact O-CB 3.27Å; P455-T459 WeakPolarHBondContact O-CB 3.34Å; P455-T459 PolarHBondContact O-N 3.02Å; P455-T459 PolarHBondContact O-OG1 3.08Å; I456-T459 PolarHBondContact O-N 2.95Å; L457-T459 VanDerWaalsContact C-N 3.3Å; L457-T459 PolarHBondContact O-N 3.08Å; T459-R461 VanDerWaalsContact C-N 3.28Å; T459-R461 PolarHBondContact O-N 3.48Å; T459-R462 WeakPolarHBondContact O-CB 3.44Å; T459-R462 PolarHBondContact O-N 2.94Å; T459-R462 VanDerWaalsContact O-N 3.1Å; T459-I463 HydrophobicContact CG2-CG2 4.35Å; T459-I463 WeakPolarHBondContact O-CG1 3.11Å; T459-I463 PolarHBondContact O-N 3.07Å
460	I	98.2	Very high	96.8	Very high	1 Å²	1	55 Å²	55	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-56.2	-44.4	173.9	-71.6	168	0	0	0	110.7	L343 V443 I456 L457 I463 G464 L465 V475	L343-I460 HydrophobicContact CD2-CD1 4.39Å; L343-I460 HydrophobicContact CD2-CG1 3.79Å; V443-I460 HydrophobicContact CB-CD1 4.47Å; V443-I460 HydrophobicContact CB-CG2 4.34Å; V443-I460 HydrophobicContact CG1-CG2 4.06Å; V443-I460 HydrophobicContact CG2-CG2 4.32Å; I456-I460 HydrophobicContact CG2-CD1 3.81Å; I456-I460 HydrophobicContact CG2-CG1 4.49Å; I456-I460 WeakPolarHBondContact O-CG1 2.73Å; I456-I460 PolarHBondContact O-N 3.33Å; L457-I460 HydrophobicContact CD2-CD1 4.42Å; L457-I460 PolarHBondContact O-N 3.2Å; I460-I463 PolarHBondContact O-N 3.44Å; I460-G464 PolarHBondContact O-N 3.2Å; I460-L465 VanDerWaalsContact CG2-O 3.32Å; I460-L465 WeakPolarHBondContact CG2-O 3.47Å; I460-L465 PolarHBondContact O-N 2.74Å; I460-V475 HydrophobicContact CD1-CG2 4.08Å; I460-V475 HydrophobicContact CG1-CG2 4.4Å; I460-V475 HydrophobicContact CG2-CG2 4.32Å
461	R	97.8	Very high	97	Very high	98 Å²	98	51.1 Å²	51.1	37%	0.37	27%	0.266	S	S	.	.	H	α-helix	trans	-61.8	-44.1	174.9	-68.3	173.2	-163	116.8	6.8	112	D451 L457 S458 T459 G464 F466	D451-R461 PolarHBondContact O-NH1 3.16Å; D451-R461 PolarHBondContact O-NH2 3.05Å; D451-R461 IonicContact OD1-CZ 3.69Å; D451-R461 IonicContact OD1-NH2 2.92Å; D451-R461 PolarHBondContact OD1-NH2 2.8Å; D451-R461 IonicContact OD2-NH2 3.46Å; D451-R461 PolarHBondContact OD2-NH2 3.34Å; L457-R461 VanDerWaalsContact O-CG 3.31Å; L457-R461 WeakPolarHBondContact O-CG 3.44Å; L457-R461 PolarHBondContact O-N 2.8Å; S458-R461 PolarHBondContact O-N 3.19Å; T459-R461 VanDerWaalsContact C-N 3.28Å; T459-R461 PolarHBondContact O-N 3.48Å; R461-G464 PolarHBondContact O-N 3.21Å; R461-F466 HydrophobicContact CB-CE1 4.3Å; R461-F466 HydrophobicContact CB-CZ 4.39Å; R461-F466 HydrophobicContact CG-CE1 4.05Å
462	R	97.7	Very high	97.1	Very high	161 Å²	161	50.5 Å²	50.5	61%	0.608	26%	0.258	S	S	*	.	H	α-helix	trans	-61.3	-43.6	178.9	-177.2	-175	66.9	79.8	-0.3	112.5	E344 S458 T459	E344-R462 IonicContact OE2-CZ 2.93Å; E344-R462 IonicContact OE2-NH1 3.71Å; E344-R462 PolarHBondContact OE2-NH1 3.32Å; E344-R462 IonicContact OE2-NH2 2.67Å; E344-R462 PolarHBondContact OE2-NH2 2.88Å; S458-R462 WeakPolarHBondContact O-CB 3.12Å; S458-R462 PolarHBondContact O-N 3.41Å; T459-R462 WeakPolarHBondContact O-CB 3.44Å; T459-R462 PolarHBondContact O-N 2.94Å; T459-R462 VanDerWaalsContact O-N 3.1Å
463	I	97.1	Very high	97.3	Very high	28 Å²	28	46.1 Å²	46.1	14%	0.144	23%	0.228	C	C	.	.	H	α-helix	trans	-88.3	-10.1	-176.3	69.8	-174.8	0	0	0	113.7	L343 T459 I460 L465	L343-I463 HydrophobicContact CB-CD1 4.09Å; L343-I463 HydrophobicContact CD2-CD1 4.42Å; L343-I463 WeakPolarHBondContact O-CD1 3.29Å; T459-I463 HydrophobicContact CG2-CG2 4.35Å; T459-I463 WeakPolarHBondContact O-CG1 3.11Å; T459-I463 PolarHBondContact O-N 3.07Å; I460-I463 PolarHBondContact O-N 3.44Å; I463-L465 HydrophobicContact CD1-CB 4.4Å; I463-L465 HydrophobicContact CD1-CD1 3.68Å; I463-L465 HydrophobicContact CD1-CG 4.02Å; I463-L465 HydrophobicContact CG1-CB 4.24Å; I463-L465 HydrophobicContact CG1-CD1 4.26Å; I463-L465 HydrophobicContact CG1-CG 4.02Å
464	G	96.9	Very high	97.4	Very high	27 Å²	27	41.5 Å²	41.5	28%	0.278	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	20.7	174.1	0	0	0	0	0	116	I460 R461 F466	I460-G464 PolarHBondContact O-N 3.2Å; R461-G464 PolarHBondContact O-N 3.21Å; G464-F466 PolarHBondContact O-N 3.25Å; G464-F466 VanDerWaalsContact O-N 3.12Å
465	L	96.8	Very high	97.5	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.01	20%	0.196	C	C	.	.			trans	-84.8	72.4	178	-72.5	-177.9	0	0	0	111.9	L346 N350 I460 I463 N467 V475	L346-L465 HydrophobicContact CB-CD1 4.08Å; N350-L465 HydrophobicContact CB-CD2 3.99Å; N350-L465 WeakPolarHBondContact ND2-CD2 3.41Å; I460-L465 VanDerWaalsContact CG2-O 3.32Å; I460-L465 WeakPolarHBondContact CG2-O 3.47Å; I460-L465 PolarHBondContact O-N 2.74Å; I463-L465 HydrophobicContact CD1-CB 4.4Å; I463-L465 HydrophobicContact CD1-CD1 3.68Å; I463-L465 HydrophobicContact CD1-CG 4.02Å; I463-L465 HydrophobicContact CG1-CB 4.24Å; I463-L465 HydrophobicContact CG1-CD1 4.26Å; I463-L465 HydrophobicContact CG1-CG 4.02Å; L465-N467 VanDerWaalsContact C-N 3.35Å; L465-N467 PolarHBondContact O-N 3.21Å; L465-V475 HydrophobicContact CB-CG2 4.38Å; L465-V475 HydrophobicContact CD1-CG1 4.26Å; L465-V475 WeakPolarHBondContact O-CG2 3.34Å
466	F	97.3	Very high	97.6	Very high	84 Å²	84	38.7 Å²	38.7	37%	0.368	18%	0.181	S	C	.	.	S	Bend	trans	-92.3	20.2	-175.4	-58.3	-63.7	0	0	0	115	L440 R461 G464 N468	L440-F466 HydrophobicContact CD1-CB 4.27Å; R461-F466 HydrophobicContact CB-CE1 4.3Å; R461-F466 HydrophobicContact CB-CZ 4.39Å; R461-F466 HydrophobicContact CG-CE1 4.05Å; G464-F466 PolarHBondContact O-N 3.25Å; G464-F466 VanDerWaalsContact O-N 3.12Å; F466-N468 VanDerWaalsContact C-N 3.3Å; F466-N468 PolarHBondContact O-N 3.25Å
467	N	97.8	Very high	97.6	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.011	18%	0.181	C	C	.	.			trans	58.2	37.6	-173.1	-63.1	-32.5	0	0	0	113.5	F312 P441 L465 K474 V475	F312-N467 HydrophobicContact CE1-CB 4.09Å; P441-N467 HydrophobicContact CB-CB 4.12Å; P441-N467 PolarHBondContact O-ND2 3.04Å; L465-N467 VanDerWaalsContact C-N 3.35Å; L465-N467 PolarHBondContact O-N 3.21Å; N467-K474 WeakPolarHBondContact OD1-CA 3.28Å; N467-K474 WeakPolarHBondContact OD1-CB 3.25Å; N467-V475 PolarHBondContact ND2-O 3.29Å; N467-V475 PolarHBondContact OD1-N 3.03Å; N467-V475 PolarHBondContact OD1-O 3.2Å
468	N	96.7	Very high	97.6	Very high	50 Å²	50	38.7 Å²	38.7	27%	0.267	18%	0.181	S	C	.	.			trans	-65.2	158.5	176.6	-59.9	-76.5	0	0	0	110.9	L440 F466 T470 D471 K474	L440-N468 VanDerWaalsContact CD1-OD1 3.27Å; L440-N468 WeakPolarHBondContact CD1-OD1 3.39Å; F466-N468 VanDerWaalsContact C-N 3.3Å; F466-N468 PolarHBondContact O-N 3.25Å; N468-T470 PolarHBondContact O-N 2.76Å; N468-D471 VanDerWaalsContact CB-OD2 3.28Å; N468-D471 WeakPolarHBondContact CB-OD2 3.15Å; N468-D471 PolarHBondContact N-OD2 3.32Å; N468-D471 PolarHBondContact ND2-OD2 3.4Å; N468-D471 WeakPolarHBondContact O-CB 3.36Å; N468-D471 PolarHBondContact O-N 3.22Å; N468-K474 PolarHBondContact O-NZ 3.27Å
469	R	95	Very high	97.5	Very high	149 Å²	149	36.8 Å²	36.8	56%	0.562	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-38.3	174.6	-68.2	-168.6	-177.4	-151.9	-3.9	113.1	G314 D317 D471	G314-R469 PolarHBondContact O-NH2 2.95Å; D317-R469 WeakPolarHBondContact OD2-CB 3.31Å; D317-R469 WeakPolarHBondContact OD2-CD 3.41Å; D317-R469 WeakPolarHBondContact OD2-CG 3.5Å; R469-D471 VanDerWaalsContact C-N 3.31Å; R469-D471 PolarHBondContact O-N 2.98Å
470	T	95.4	Very high	97.4	Very high	87 Å²	87	40 Å²	40	53%	0.534	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-16.7	179.4	56.2	0	0	0	0	114.3	R354 N468 R472	R354-T470 WeakPolarHBondContact CD-O 3.5Å; N468-T470 PolarHBondContact O-N 2.76Å; T470-R472 PolarHBondContact O-N 3.33Å
471	D	97.8	Very high	97.1	Very high	7 Å²	7	47.4 Å²	47.4	4%	0.037	21%	0.214	C	C	.	.			trans	-74.3	126.6	180	-65.3	-35.3	0	0	0	109.9	N350 R354 N468 R469 V473 K474	N350-D471 PolarHBondContact ND2-OD1 2.87Å; N350-D471 WeakPolarHBondContact OD1-CA 3.29Å; R354-D471 IonicContact NH1-OD1 3.91Å; N468-D471 VanDerWaalsContact CB-OD2 3.28Å; N468-D471 WeakPolarHBondContact CB-OD2 3.15Å; N468-D471 PolarHBondContact N-OD2 3.32Å; N468-D471 PolarHBondContact ND2-OD2 3.4Å; N468-D471 WeakPolarHBondContact O-CB 3.36Å; N468-D471 PolarHBondContact O-N 3.22Å; R469-D471 VanDerWaalsContact C-N 3.31Å; R469-D471 PolarHBondContact O-N 2.98Å; D471-V473 WeakPolarHBondContact CB-O 3.21Å; D471-K474 VanDerWaalsContact O-CE 3.27Å; D471-K474 WeakPolarHBondContact O-CE 3.38Å; D471-K474 PolarHBondContact O-NZ 2.77Å
472	R	98.3	Very high	97	Very high	54 Å²	54	43.7 Å²	43.7	20%	0.204	20%	0.202	C	C	.	.	S	Bend	trans	-84.1	-18.2	173.6	-60.1	-55	-59.6	-175.8	-1.3	112.2	N350 L353 R354 S358 D359 V360 T361 V362 T470	N350-R472 PolarHBondContact OD1-N 2.68Å; L353-R472 HydrophobicContact CB-CB 3.64Å; L353-R472 HydrophobicContact CB-CG 3.94Å; L353-R472 HydrophobicContact CD1-CB 3.98Å; L353-R472 HydrophobicContact CG-CB 4.48Å; R354-R472 HydrophobicContact CG-CG 3.73Å; S358-R472 PolarHBondContact O-NE 3.04Å; S358-R472 VanDerWaalsContact O-NE 3.12Å; S358-R472 PolarHBondContact O-NH2 2.91Å; S358-R472 VanDerWaalsContact O-NH2 3.1Å; D359-R472 VanDerWaalsContact CA-NH2 3.29Å; D359-R472 PolarHBondContact O-NH2 3.32Å; V360-R472 PolarHBondContact O-NE 3.06Å; V360-R472 VanDerWaalsContact O-NE 3.1Å; V360-R472 PolarHBondContact O-NH2 3.1Å; T361-R472 WeakPolarHBondContact CA-O 3.29Å; T361-R472 PolarHBondContact OG1-NH2 2.67Å; V362-R472 PolarHBondContact N-O 2.93Å; T470-R472 PolarHBondContact O-N 3.33Å
473	V	98.7	Very high	96.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	125.7	171.6	-178.1	0	0	0	0	108.7	L346 L349 N350 L353 V362 V364 D471	L346-V473 HydrophobicContact CB-CG1 4.25Å; L346-V473 HydrophobicContact CD2-CG1 4.06Å; L349-V473 HydrophobicContact CB-CG2 4.36Å; L349-V473 HydrophobicContact CD2-CG2 3.99Å; L349-V473 HydrophobicContact CG-CG2 3.98Å; N350-V473 HydrophobicContact CB-CB 4.04Å; N350-V473 HydrophobicContact CB-CG2 3.87Å; N350-V473 PolarHBondContact OD1-N 3.05Å; L353-V473 HydrophobicContact CD1-CG2 4.09Å; V362-V473 HydrophobicContact CB-CG2 4.27Å; V362-V473 CarbonylContact O-C 3.23Å; V362-V473 WeakPolarHBondContact O-CA 3.46Å; V364-V473 HydrophobicContact CG2-CG1 3.96Å; D471-V473 WeakPolarHBondContact CB-O 3.21Å
474	K	98.7	Very high	96.5	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.017	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	145.5	174.1	-43.5	-59.3	-166.7	-173.6	0	109.4	F312 T361 V362 V363 V364 N467 N468 D471	F312-K474 HydrophobicContact CE1-CB 3.97Å; F312-K474 HydrophobicContact CE1-CD 4.03Å; F312-K474 HydrophobicContact CE1-CG 3.85Å; F312-K474 HydrophobicContact CZ-CB 3.65Å; F312-K474 HydrophobicContact CZ-CG 3.98Å; T361-K474 HydrophobicContact CG2-CG 4.22Å; V362-K474 PolarHBondContact O-N 2.96Å; V363-K474 WeakPolarHBondContact CA-O 3.42Å; V363-K474 HydrophobicContact CG2-CB 4.13Å; V363-K474 HydrophobicContact CG2-CG 4.18Å; V364-K474 PolarHBondContact N-O 2.8Å; N467-K474 WeakPolarHBondContact OD1-CA 3.28Å; N467-K474 WeakPolarHBondContact OD1-CB 3.25Å; N468-K474 PolarHBondContact O-NZ 3.27Å; D471-K474 VanDerWaalsContact O-CE 3.27Å; D471-K474 WeakPolarHBondContact O-CE 3.38Å; D471-K474 PolarHBondContact O-NZ 2.77Å
475	V	98.6	Very high	96.3	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	138.8	-177.7	-64.5	0	0	0	0	111.3	L346 V364 V443 I460 L465 N467	L346-V475 HydrophobicContact CD1-CG1 4.28Å; V364-V475 CarbonylContact O-C 3.51Å; V364-V475 WeakPolarHBondContact O-CA 3.3Å; V443-V475 HydrophobicContact CB-CG2 4.22Å; V443-V475 HydrophobicContact CG1-CG2 3.92Å; I460-V475 HydrophobicContact CD1-CG2 4.08Å; I460-V475 HydrophobicContact CG1-CG2 4.4Å; I460-V475 HydrophobicContact CG2-CG2 4.32Å; L465-V475 HydrophobicContact CB-CG2 4.38Å; L465-V475 HydrophobicContact CD1-CG1 4.26Å; L465-V475 WeakPolarHBondContact O-CG2 3.34Å; N467-V475 PolarHBondContact ND2-O 3.29Å; N467-V475 PolarHBondContact OD1-N 3.03Å; N467-V475 PolarHBondContact OD1-O 3.2Å
476	I	98.7	Very high	96.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	107.7	178.8	-50.6	178.9	0	0	0	108.6	F307 F312 V363 V364 F365 F366 V443 T445	F307-I476 HydrophobicContact CE1-CD1 3.76Å; F307-I476 HydrophobicContact CE1-CG2 4.33Å; F307-I476 HydrophobicContact CZ-CG2 4.32Å; F312-I476 HydrophobicContact CE2-CD1 3.87Å; F312-I476 HydrophobicContact CE2-CG1 4.42Å; F312-I476 HydrophobicContact CZ-CD1 4.49Å; V363-I476 HydrophobicContact CG1-CD1 3.7Å; V363-I476 HydrophobicContact CG1-CG1 4.25Å; V364-I476 PolarHBondContact O-N 3.12Å; F365-I476 CarbonylContact C-O 3.54Å; F365-I476 WeakPolarHBondContact CA-O 2.87Å; F365-I476 HydrophobicContact CD1-CB 4.16Å; F365-I476 HydrophobicContact CD1-CD1 4.41Å; F365-I476 HydrophobicContact CD1-CG2 4.31Å; F365-I476 HydrophobicContact CE1-CB 4.38Å; F365-I476 HydrophobicContact CE1-CD1 3.83Å; F365-I476 HydrophobicContact CE1-CG2 4.39Å; F365-I476 HydrophobicContact CZ-CD1 3.97Å; F366-I476 PolarHBondContact N-O 3.09Å; V443-I476 CarbonylContact O-C 3.42Å; V443-I476 WeakPolarHBondContact O-CA 3.46Å; T445-I476 HydrophobicContact CG2-CG2 3.82Å
477	L	98.5	Very high	95.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	117.3	167.4	179.5	60	0	0	0	109	F366 V443 T444 T445 I456 L457 P479	F366-L477 HydrophobicContact CB-CD1 3.68Å; V443-L477 WeakPolarHBondContact O-CB 3.46Å; V443-L477 PolarHBondContact O-N 3.08Å; T444-L477 CarbonylContact C-O 3.58Å; T444-L477 VanDerWaalsContact CA-O 3.29Å; T444-L477 WeakPolarHBondContact CA-O 3.2Å; T444-L477 PolarHBondContact OG1-O 3.4Å; T445-L477 PolarHBondContact N-O 2.81Å; T445-L477 PolarHBondContact OG1-O 2.83Å; I456-L477 HydrophobicContact CB-CD2 4.37Å; I456-L477 HydrophobicContact CD1-CD1 3.98Å; I456-L477 HydrophobicContact CG2-CD1 4.29Å; I456-L477 HydrophobicContact CG2-CD2 4.08Å; L457-L477 HydrophobicContact CD1-CD2 4.49Å; L457-L477 HydrophobicContact CD2-CD2 3.83Å; L457-L477 HydrophobicContact CG-CD2 3.89Å; L477-P479 HydrophobicContact CG-CB 4.46Å; L477-P479 VanDerWaalsContact O-CD 3.31Å; L477-P479 WeakPolarHBondContact O-CD 3.46Å
478	H	98	Very high	95.6	Very high	3 Å²	3	44.3 Å²	44.3	1%	0.014	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	89.6	171.6	-171.5	93.3	0	0	0	108.4	F366 I367 M368 T445 H446 E480	F366-H478 CarbonylContact O-C 3.59Å; F366-H478 PolarHBondContact O-N 3.17Å; I367-H478 HydrophobicContact CD1-CB 3.68Å; M368-H478 PolarHBondContact N-O 3.42Å; T445-H478 PolarHBondContact OG1-ND1 3.17Å; H446-H478 AromaticContact CE1-CE1 3.93Å; H478-E480 PolarHBondContact CD2-O 3.47Å; H478-E480 VanDerWaalsContact CD2-O 3.3Å; H478-E480 PolarHBondContact O-N 2.74Å
479	P	96.9	Very high	95.4	Very high	1 Å²	1	42 Å²	42	1%	0.006	22%	0.22	C	C	.	.			trans	-81	37.4	-171	35	-40.9	0	0	0	114.3	M368 P369 A370 T372 H446 M448 L477	M368-P479 VanDerWaalsContact O-CA 3.24Å; M368-P479 WeakPolarHBondContact O-CA 3.21Å; P369-P479 WeakPolarHBondContact CA-O 3.43Å; A370-P479 HydrophobicContact CB-CB 3.73Å; A370-P479 PolarHBondContact N-O 3.13Å; T372-P479 HydrophobicContact CG2-CB 3.92Å; T372-P479 HydrophobicContact CG2-CG 3.62Å; H446-P479 HydrophobicContact CB-CG 3.65Å; H446-P479 WeakPolarHBondContact ND1-CD 3.45Å; M448-P479 HydrophobicContact CE-CB 4.23Å; M448-P479 HydrophobicContact SD-CB 3.71Å; M448-P479 HydrophobicContact SD-CG 3.57Å; M448-P479 VanDerWaalsContact SD-CG 3.57Å; L477-P479 HydrophobicContact CG-CB 4.46Å; L477-P479 VanDerWaalsContact O-CD 3.31Å; L477-P479 WeakPolarHBondContact O-CD 3.46Å
480	E	94.8	Very high	95.3	Very high	83 Å²	83	37.8 Å²	37.8	39%	0.388	21%	0.212	S	C	.	.	S	Bend	trans	-141.3	161.7	178.1	-162.4	178.5	-176.6	0	0	109.5	H446 H478	H446-E480 IonicContact CE1-OE2 3.01Å; H446-E480 IonicContact NE2-OE2 3.24Å; H446-E480 PolarHBondContact NE2-OE2 3.39Å; H446-E480 VanDerWaalsContact NE2-OE2 3.09Å; H478-E480 PolarHBondContact CD2-O 3.47Å; H478-E480 VanDerWaalsContact CD2-O 3.3Å; H478-E480 PolarHBondContact O-N 2.74Å
481	F	92.4	Very high	95.3	Very high	155 Å²	155	33.7 Å²	33.7	68%	0.68	19%	0.187	S	C	*	.			trans	-68.2	142.1	166.9	-70.5	-69.6	0	0	0	110.3	P369	P369-F481 HydrophobicContact CB-CD2 4.35Å; P369-F481 HydrophobicContact CB-CE2 4.12Å; P369-F481 HydrophobicContact CB-CZ 4.36Å; P369-F481 HydrophobicContact CG-CD1 3.77Å; P369-F481 HydrophobicContact CG-CD2 3.85Å; P369-F481 HydrophobicContact CG-CE1 3.58Å; P369-F481 HydrophobicContact CG-CE2 3.67Å; P369-F481 HydrophobicContact CG-CG 3.91Å; P369-F481 HydrophobicContact CG-CZ 3.55Å
482	L	94.3	Very high	95.2	Very high	20 Å²	20	36.8 Å²	36.8	11%	0.105	20%	0.203	C	C	.	.			trans	-69	140.3	174.2	-65.1	173.2	0	0	0	110.3	I367 L489 Y493 F496	I367-L482 HydrophobicContact CD1-CD1 4.37Å; I367-L482 HydrophobicContact CD1-CD2 4.24Å; I367-L482 HydrophobicContact CD1-CG 4.45Å; I367-L482 HydrophobicContact CG1-CD1 4.34Å; I367-L482 HydrophobicContact CG2-CD1 4.32Å; I367-L482 HydrophobicContact CG2-CG 4.04Å; L482-L489 HydrophobicContact CD2-CD2 3.85Å; L482-L489 HydrophobicContact CD2-CG 4.44Å; L482-Y493 HydrophobicContact CD1-CD2 4.43Å; L482-F496 HydrophobicContact CD1-CB 3.45Å; L482-F496 VanDerWaalsContact CD1-CB 3.45Å; L482-F496 HydrophobicContact CD1-CD1 3.5Å; L482-F496 HydrophobicContact CD1-CD2 4.09Å; L482-F496 HydrophobicContact CD1-CE1 4.27Å; L482-F496 HydrophobicContact CD1-CG 3.39Å
483	S	92.9	Very high	95	Very high	40 Å²	40	36.9 Å²	36.9	28%	0.28	20%	0.204	S	C	.	.	B	Isolated β-bridge	trans	-147.3	136.7	179.9	176	0	0	0	0	110	T485 S486 M491	S483-T485 PolarHBondContact O-N 2.89Å; S483-T485 VanDerWaalsContact O-N 3.08Å; S483-T485 PolarHBondContact OG-N 3Å; S483-T485 PolarHBondContact OG-OG1 3.36Å; S483-S486 VanDerWaalsContact O-CB 3.25Å; S483-S486 WeakPolarHBondContact O-CB 3.41Å; S483-S486 PolarHBondContact O-N 3.39Å; S483-M491 CarbonylContact C-O 3.37Å; S483-M491 VanDerWaalsContact C-O 3.23Å; S483-M491 PolarHBondContact N-O 2.97Å; S483-M491 PolarHBondContact O-N 3.13Å
484	S	92.3	Very high	94.7	Very high	59 Å²	59	42.9 Å²	42.9	41%	0.413	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-22.7	169.9	48.9	0	0	0	0	114	P490 D492	S484-P490 WeakPolarHBondContact O-CB 3.42Å; S484-D492 VanDerWaalsContact CB-OD1 3.28Å; S484-D492 WeakPolarHBondContact CB-OD1 3.12Å; S484-D492 PolarHBondContact N-OD1 3.41Å; S484-D492 PolarHBondContact OG-OD1 3.31Å
485	T	93	Very high	94.5	Very high	123 Å²	123	44.6 Å²	44.6	76%	0.755	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-5.1	176.9	62.2	0	0	0	0	114.4	S483	S483-T485 PolarHBondContact O-N 2.89Å; S483-T485 VanDerWaalsContact O-N 3.08Å; S483-T485 PolarHBondContact OG-N 3Å; S483-T485 PolarHBondContact OG-OG1 3.36Å
486	S	92.8	Very high	94.5	Very high	12 Å²	12	44.6 Å²	44.6	8%	0.084	24%	0.24	C	C	.	.			trans	-64.2	131.7	-178.9	-178.8	0	0	0	0	111.5	S483 L488 P490	S483-S486 VanDerWaalsContact O-CB 3.25Å; S483-S486 WeakPolarHBondContact O-CB 3.41Å; S483-S486 PolarHBondContact O-N 3.39Å; S486-L488 PolarHBondContact O-N 2.78Å; S486-L488 PolarHBondContact OG-N 3.24Å; S486-P490 WeakPolarHBondContact O-CA 3.28Å; S486-P490 VanDerWaalsContact O-CB 3.3Å; S486-P490 WeakPolarHBondContact O-CB 2.92Å
487	P	91.7	Very high	94.5	Very high	81 Å²	81	44.6 Å²	44.6	53%	0.526	24%	0.24	S	C	.	.	S	Bend	trans	-71.3	-15.1	177.3	30.3	-35.9	0	0	0	113.1	F375 L380	F375-P487 HydrophobicContact CD2-CG 3.95Å; F375-P487 HydrophobicContact CE2-CG 3.39Å; F375-P487 HydrophobicContact CZ-CG 3.88Å; L380-P487 HydrophobicContact CD2-CB 4.39Å; L380-P487 HydrophobicContact CD2-CG 4.26Å
488	L	92	Very high	94.3	Very high	3 Å²	3	45.8 Å²	45.8	2%	0.016	25%	0.245	C	C	.	.	S	Bend	trans	-90.4	-58.8	-178.7	-63.3	-168.8	0	0	0	111.6	F307 F375 T379 L380 Q383 T445 S486	F307-L488 WeakPolarHBondContact CD2-O 3.24Å; F307-L488 HydrophobicContact CE2-CB 4.29Å; F375-L488 HydrophobicContact CB-CD1 4.3Å; F375-L488 HydrophobicContact CD1-CD1 3.34Å; F375-L488 HydrophobicContact CD1-CG 3.83Å; F375-L488 HydrophobicContact CE1-CD1 3.88Å; F375-L488 HydrophobicContact CE1-CG 4.09Å; F375-L488 HydrophobicContact CG-CD1 3.96Å; F375-L488 HydrophobicContact CG-CG 4.19Å; T379-L488 HydrophobicContact CG2-CD1 3.98Å; T379-L488 HydrophobicContact CG2-CD2 3.88Å; T379-L488 HydrophobicContact CG2-CG 4.46Å; L380-L488 HydrophobicContact CD2-CD2 3.58Å; L380-L488 HydrophobicContact CG-CD2 4Å; Q383-L488 HydrophobicContact CG-CD2 4.21Å; T445-L488 HydrophobicContact CG2-CD1 4.4Å; S486-L488 PolarHBondContact O-N 2.78Å; S486-L488 PolarHBondContact OG-N 3.24Å
489	L	92.9	Very high	94.3	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.01	24%	0.244	C	C	.	.	S	Bend	trans	-132.5	82.8	-174.1	-177.9	57.7	0	0	0	107.2	F307 L482 M491 F496	F307-L489 HydrophobicContact CB-CD1 3.75Å; F307-L489 HydrophobicContact CD2-CB 4.15Å; F307-L489 HydrophobicContact CG-CB 4.49Å; F307-L489 HydrophobicContact CG-CD1 4.07Å; L482-L489 HydrophobicContact CD2-CD2 3.85Å; L482-L489 HydrophobicContact CD2-CG 4.44Å; L489-M491 HydrophobicContact CD1-CE 3.81Å; L489-M491 HydrophobicContact CD1-CG 3.88Å; L489-M491 HydrophobicContact CD1-SD 3.59Å; L489-M491 VanDerWaalsContact CD1-SD 3.59Å; L489-M491 HydrophobicContact CD2-CG 4.43Å; L489-M491 HydrophobicContact CD2-SD 4.25Å; L489-M491 HydrophobicContact CG-CG 3.67Å; L489-M491 HydrophobicContact CG-SD 3.86Å; L489-M491 PolarHBondContact O-N 2.82Å; L489-F496 HydrophobicContact CD2-CD2 3.97Å; L489-F496 HydrophobicContact CD2-CE2 4.14Å
490	P	93.8	Very high	94.4	Very high	60 Å²	60	45.6 Å²	45.6	39%	0.39	24%	0.244	S	C	.	.	B	Isolated β-bridge	trans	-76.7	57.6	-166.9	31	-37.2	0	0	0	111.9	R303 S484 S486	R303-P490 PolarHBondContact NH2-O 3.23Å; S484-P490 WeakPolarHBondContact O-CB 3.42Å; S486-P490 WeakPolarHBondContact O-CA 3.28Å; S486-P490 VanDerWaalsContact O-CB 3.3Å; S486-P490 WeakPolarHBondContact O-CB 2.92Å
491	M	95.4	Very high	94.6	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	23%	0.226	C	C	.	.			trans	-136.8	148.2	-178.4	54.3	176.9	50.7	0	0	111	R303 I304 S483 L489 E495 F496	R303-M491 HydrophobicContact CB-CE 3.41Å; R303-M491 VanDerWaalsContact CB-CE 3.41Å; R303-M491 HydrophobicContact CG-CE 4.48Å; I304-M491 HydrophobicContact CG1-CE 3.9Å; I304-M491 HydrophobicContact CG1-SD 4.02Å; S483-M491 CarbonylContact C-O 3.37Å; S483-M491 VanDerWaalsContact C-O 3.23Å; S483-M491 PolarHBondContact N-O 2.97Å; S483-M491 PolarHBondContact O-N 3.13Å; L489-M491 HydrophobicContact CD1-CE 3.81Å; L489-M491 HydrophobicContact CD1-CG 3.88Å; L489-M491 HydrophobicContact CD1-SD 3.59Å; L489-M491 VanDerWaalsContact CD1-SD 3.59Å; L489-M491 HydrophobicContact CD2-CG 4.43Å; L489-M491 HydrophobicContact CD2-SD 4.25Å; L489-M491 HydrophobicContact CG-CG 3.67Å; L489-M491 HydrophobicContact CG-SD 3.86Å; L489-M491 PolarHBondContact O-N 2.82Å; M491-E495 VanDerWaalsContact CA-OE2 3.31Å; M491-E495 WeakPolarHBondContact CA-OE2 3.35Å; M491-E495 HydrophobicContact CB-CB 4.03Å; M491-E495 WeakPolarHBondContact CB-OE2 3.45Å; M491-F496 HydrophobicContact CG-CB 4.21Å; M491-F496 VanDerWaalsContact SD-CA 3.56Å; M491-F496 HydrophobicContact SD-CB 3.56Å; M491-F496 VanDerWaalsContact SD-CB 3.56Å; M491-F496 HydrophobicContact SD-CD2 3.71Å; M491-F496 HydrophobicContact SD-CG 4.13Å
492	D	94.7	Very high	94.9	Very high	71 Å²	71	34.5 Å²	34.5	38%	0.38	19%	0.194	S	C	.	.			trans	-76.8	163.8	172.8	-62	-35.2	0	0	0	110.4	S484 E494 E495 F496	S484-D492 VanDerWaalsContact CB-OD1 3.28Å; S484-D492 WeakPolarHBondContact CB-OD1 3.12Å; S484-D492 PolarHBondContact N-OD1 3.41Å; S484-D492 PolarHBondContact OG-OD1 3.31Å; D492-E494 PolarHBondContact O-N 2.69Å; D492-E495 HydrophobicContact CB-CG 4.33Å; D492-E495 PolarHBondContact N-OE2 2.73Å; D492-E495 WeakPolarHBondContact O-CB 3.36Å; D492-E495 PolarHBondContact O-N 3.38Å; D492-E495 VanDerWaalsContact O-N 3.16Å; D492-F496 PolarHBondContact O-N 2.84Å
493	Y	93.7	Very high	95.1	Very high	56 Å²	56	33.6 Å²	33.6	22%	0.22	19%	0.189	C	C	.	.	H	α-helix	trans	-57.1	-43.9	-175	169.1	-99.4	0	0	0	113.2	A329 L482 E495 F496 V497 T515 E518	A329-Y493 HydrophobicContact CB-CE2 3.87Å; L482-Y493 HydrophobicContact CD1-CD2 4.43Å; Y493-E495 VanDerWaalsContact C-N 3.33Å; Y493-E495 PolarHBondContact O-N 2.87Å; Y493-F496 WeakPolarHBondContact O-CB 3.49Å; Y493-F496 PolarHBondContact O-N 3.07Å; Y493-V497 HydrophobicContact CD1-CG2 4.35Å; Y493-V497 HydrophobicContact CD2-CG2 4.15Å; Y493-V497 HydrophobicContact CE1-CG2 3.91Å; Y493-V497 HydrophobicContact CE2-CG2 3.68Å; Y493-V497 HydrophobicContact CG-CG2 4.47Å; Y493-V497 WeakPolarHBondContact O-CG2 3.3Å; Y493-V497 PolarHBondContact O-N 2.9Å; Y493-T515 WeakPolarHBondContact OH-CG2 3.43Å; Y493-E518 VanDerWaalsContact CE1-OE2 3.22Å; Y493-E518 WeakPolarHBondContact CE1-OE2 3.33Å; Y493-E518 PolarHBondContact OH-OE2 3.41Å; Y493-E518 VanDerWaalsContact OH-OE2 3.06Å
494	E	92.6	Very high	95.4	Very high	127 Å²	127	31.7 Å²	31.7	59%	0.593	18%	0.176	S	C	*	.	H	α-helix	trans	-61.7	-40.8	178.1	-64.9	-176	-173.7	0	0	112.4	D492 F496 V497 R498 M522	D492-E494 PolarHBondContact O-N 2.69Å; E494-F496 VanDerWaalsContact C-N 3.34Å; E494-F496 PolarHBondContact O-N 2.92Å; E494-V497 PolarHBondContact O-N 2.96Å; E494-R498 WeakPolarHBondContact O-CG 3.23Å; E494-R498 PolarHBondContact O-N 2.91Å; E494-M522 HydrophobicContact CB-SD 4.15Å; E494-M522 HydrophobicContact CG-CE 4.31Å
495	E	95.7	Very high	95.7	Very high	39 Å²	39	29 Å²	29	18%	0.182	16%	0.157	C	C	.	.	H	α-helix	trans	-61.8	-44.8	177.1	-57.2	-165.9	125.4	0	0	110.9	Y300 R303 M491 D492 Y493 R498 G499	Y300-E495 WeakPolarHBondContact CB-O 3.18Å; Y300-E495 HydrophobicContact CD1-CB 3.66Å; Y300-E495 HydrophobicContact CD1-CG 4.25Å; Y300-E495 HydrophobicContact CD2-CB 4.38Å; Y300-E495 HydrophobicContact CE1-CB 3.49Å; Y300-E495 VanDerWaalsContact CE1-CB 3.49Å; Y300-E495 HydrophobicContact CE1-CG 3.55Å; Y300-E495 WeakPolarHBondContact CE1-OE1 3.4Å; Y300-E495 HydrophobicContact CE2-CB 4.22Å; Y300-E495 HydrophobicContact CE2-CG 4.29Å; Y300-E495 HydrophobicContact CG-CB 4.12Å; Y300-E495 PolarHBondContact OH-OE1 2.94Å; R303-E495 IonicContact CZ-OE2 3.73Å; R303-E495 IonicContact NH1-OE1 2.69Å; R303-E495 PolarHBondContact NH1-OE1 3.24Å; R303-E495 IonicContact NH1-OE2 3.75Å; R303-E495 PolarHBondContact NH1-OE2 3.43Å; R303-E495 IonicContact NH2-OE2 3.92Å; M491-E495 VanDerWaalsContact CA-OE2 3.31Å; M491-E495 WeakPolarHBondContact CA-OE2 3.35Å; M491-E495 HydrophobicContact CB-CB 4.03Å; M491-E495 WeakPolarHBondContact CB-OE2 3.45Å; D492-E495 HydrophobicContact CB-CG 4.33Å; D492-E495 PolarHBondContact N-OE2 2.73Å; D492-E495 WeakPolarHBondContact O-CB 3.36Å; D492-E495 PolarHBondContact O-N 3.38Å; D492-E495 VanDerWaalsContact O-N 3.16Å; Y493-E495 VanDerWaalsContact C-N 3.33Å; Y493-E495 PolarHBondContact O-N 2.87Å; E495-R498 PolarHBondContact O-N 3.21Å; E495-G499 PolarHBondContact O-N 3.48Å; E495-G499 VanDerWaalsContact O-N 3.09Å
496	F	98.1	Very high	95.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62.3	-47.4	177	174	-99.8	0	0	0	112.6	I304 F327 F365 I367 L482 L489 M491 D492 Y493 E494 R498 G499 C500	I304-F496 HydrophobicContact CD1-CD2 3.86Å; I304-F496 HydrophobicContact CD1-CE2 4.04Å; I304-F496 HydrophobicContact CG1-CD2 4.18Å; I304-F496 HydrophobicContact CG1-CE2 4.46Å; F327-F496 HydrophobicContact CB-CE1 3.75Å; F327-F496 HydrophobicContact CB-CZ 3.97Å; F327-F496 HydrophobicContact CD1-CE1 4.4Å; F327-F496 AromaticContact CD2-CE1 3.91Å; F327-F496 HydrophobicContact CD2-CE1 3.91Å; F327-F496 AromaticContact CG-CE1 3.76Å; F327-F496 HydrophobicContact CG-CE1 3.76Å; F327-F496 HydrophobicContact CG-CZ 4.43Å; F365-F496 HydrophobicContact CB-CE2 4.46Å; F365-F496 HydrophobicContact CB-CZ 3.67Å; F365-F496 HydrophobicContact CD1-CE2 4.09Å; F365-F496 HydrophobicContact CD1-CZ 4.13Å; F365-F496 HydrophobicContact CD2-CE2 4.12Å; F365-F496 AromaticContact CD2-CZ 3.9Å; F365-F496 HydrophobicContact CD2-CZ 3.9Å; F365-F496 HydrophobicContact CE1-CE2 4.32Å; F365-F496 HydrophobicContact CE2-CE2 4.37Å; F365-F496 AromaticContact CG-CE2 3.98Å; F365-F496 HydrophobicContact CG-CE2 3.98Å; F365-F496 AromaticContact CG-CZ 3.65Å; F365-F496 HydrophobicContact CG-CZ 3.65Å; F365-F496 HydrophobicContact CZ-CE2 4.47Å; I367-F496 HydrophobicContact CD1-CE1 4.32Å; I367-F496 HydrophobicContact CD1-CZ 4.23Å; I367-F496 HydrophobicContact CG1-CE1 3.94Å; I367-F496 HydrophobicContact CG1-CZ 4.3Å; L482-F496 HydrophobicContact CD1-CB 3.45Å; L482-F496 VanDerWaalsContact CD1-CB 3.45Å; L482-F496 HydrophobicContact CD1-CD1 3.5Å; L482-F496 HydrophobicContact CD1-CD2 4.09Å; L482-F496 HydrophobicContact CD1-CE1 4.27Å; L482-F496 HydrophobicContact CD1-CG 3.39Å; L489-F496 HydrophobicContact CD2-CD2 3.97Å; L489-F496 HydrophobicContact CD2-CE2 4.14Å; M491-F496 HydrophobicContact CG-CB 4.21Å; M491-F496 VanDerWaalsContact SD-CA 3.56Å; M491-F496 HydrophobicContact SD-CB 3.56Å; M491-F496 VanDerWaalsContact SD-CB 3.56Å; M491-F496 HydrophobicContact SD-CD2 3.71Å; M491-F496 HydrophobicContact SD-CG 4.13Å; D492-F496 PolarHBondContact O-N 2.84Å; Y493-F496 WeakPolarHBondContact O-CB 3.49Å; Y493-F496 PolarHBondContact O-N 3.07Å; E494-F496 VanDerWaalsContact C-N 3.34Å; E494-F496 PolarHBondContact O-N 2.92Å; F496-R498 VanDerWaalsContact C-N 3.32Å; F496-R498 PolarHBondContact O-N 2.94Å; F496-G499 PolarHBondContact O-N 3.44Å; F496-G499 VanDerWaalsContact O-N 3.12Å; F496-C500 VanDerWaalsContact CZ-SG 3.56Å; F496-C500 PolarHBondContact O-N 3.48Å; F496-C500 VanDerWaalsContact O-N 3.15Å; F496-C500 PolarHBondContact O-SG 3.38Å
497	V	97.3	Very high	96.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-57.2	-47.9	177.8	172.3	0	0	0	0	109.9	F327 Y493 E494 G499 C500 M522 I524	F327-V497 HydrophobicContact CE1-CG1 4.32Å; F327-V497 HydrophobicContact CE1-CG2 4.48Å; F327-V497 HydrophobicContact CE2-CG2 3.91Å; F327-V497 HydrophobicContact CZ-CB 4.19Å; F327-V497 HydrophobicContact CZ-CG1 3.91Å; F327-V497 HydrophobicContact CZ-CG2 3.64Å; Y493-V497 HydrophobicContact CD1-CG2 4.35Å; Y493-V497 HydrophobicContact CD2-CG2 4.15Å; Y493-V497 HydrophobicContact CE1-CG2 3.91Å; Y493-V497 HydrophobicContact CE2-CG2 3.68Å; Y493-V497 HydrophobicContact CG-CG2 4.47Å; Y493-V497 WeakPolarHBondContact O-CG2 3.3Å; Y493-V497 PolarHBondContact O-N 2.9Å; E494-V497 PolarHBondContact O-N 2.96Å; V497-G499 VanDerWaalsContact C-N 3.27Å; V497-G499 PolarHBondContact O-N 3.15Å; V497-C500 WeakPolarHBondContact O-CB 3.36Å; V497-C500 PolarHBondContact O-N 3.34Å; V497-M522 HydrophobicContact CB-CE 3.96Å; V497-M522 HydrophobicContact CB-SD 3.82Å; V497-M522 HydrophobicContact CG1-CB 4.42Å; V497-M522 HydrophobicContact CG1-CE 3.78Å; V497-M522 HydrophobicContact CG1-SD 3.71Å; V497-M522 HydrophobicContact CG2-CE 4.28Å; V497-I524 HydrophobicContact CG1-CG1 4.2Å; V497-I524 WeakPolarHBondContact O-CG1 3.48Å
498	R	96.2	Very high	96.4	Very high	26 Å²	26	20.3 Å²	20.3	10%	0.098	10%	0.098	C	C	.	.	H	α-helix	trans	-59.2	-35.7	177.6	-72.5	-175.9	-179.5	-67.7	1.6	113.1	H297 Y300 E494 E495 F496 C500 M522	H297-R498 WeakPolarHBondContact CA-O 3.28Å; H297-R498 PolarHBondContact ND1-O 3.43Å; Y300-R498 HydrophobicContact CD2-CB 3.83Å; E494-R498 WeakPolarHBondContact O-CG 3.23Å; E494-R498 PolarHBondContact O-N 2.91Å; E495-R498 PolarHBondContact O-N 3.21Å; F496-R498 VanDerWaalsContact C-N 3.32Å; F496-R498 PolarHBondContact O-N 2.94Å; R498-C500 VanDerWaalsContact C-N 3.3Å; R498-M522 HydrophobicContact CG-CB 4.1Å; R498-M522 HydrophobicContact CG-CG 4.24Å; R498-M522 HydrophobicContact CG-SD 3.85Å; R498-M522 PolarHBondContact NH1-O 2.91Å; R498-M522 VanDerWaalsContact NH1-O 3.15Å
499	G	97.5	Very high	96.6	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-73.4	-19.1	176.8	0	0	0	0	0	114.4	E495 F496 V497	E495-G499 PolarHBondContact O-N 3.48Å; E495-G499 VanDerWaalsContact O-N 3.09Å; F496-G499 PolarHBondContact O-N 3.44Å; F496-G499 VanDerWaalsContact O-N 3.12Å; V497-G499 VanDerWaalsContact C-N 3.27Å; V497-G499 PolarHBondContact O-N 3.15Å
500	C	98.6	Very high	96.7	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.099	C	C	.	.			trans	-76.7	169.1	178.2	-68.5	0	0	0	0	112.5	H297 F325 F327 F496 V497 R498	H297-C500 PolarHBondContact CE1-O 2.96Å; H297-C500 VanDerWaalsContact CE1-O 3.22Å; H297-C500 PolarHBondContact ND1-O 2.96Å; F325-C500 HydrophobicContact CB-CB 4.46Å; F327-C500 HydrophobicContact CD1-CB 3.59Å; F327-C500 HydrophobicContact CE1-CB 3.85Å; F496-C500 VanDerWaalsContact CZ-SG 3.56Å; F496-C500 PolarHBondContact O-N 3.48Å; F496-C500 VanDerWaalsContact O-N 3.15Å; F496-C500 PolarHBondContact O-SG 3.38Å; V497-C500 WeakPolarHBondContact O-CB 3.36Å; V497-C500 PolarHBondContact O-N 3.34Å; R498-C500 VanDerWaalsContact C-N 3.3Å
501	H	98.7	Very high	96.7	Very high	4 Å²	4	18.8 Å²	18.8	2%	0.019	9%	0.088	C	C	.	.	S	Bend	trans	-105.3	-32.8	178.6	-62.2	77.4	0	0	0	112.6	K301 L324 F325 F574	K301-H501 PolarHBondContact NZ-NE2 3.05Å; L324-H501 HydrophobicContact CD2-CB 4.46Å; F325-H501 AromaticContact CD2-CE1 3.72Å; F325-H501 AromaticContact CD2-ND1 3.82Å; F325-H501 PolarHBondContact N-ND1 3.04Å; F325-H501 PolarHBondContact O-N 3.28Å; H501-F574 HydrophobicContact CB-CE1 4.03Å; H501-F574 HydrophobicContact CB-CZ 4.12Å; H501-F574 WeakPolarHBondContact O-CZ 3.36Å
502	L	98.9	Very high	96.7	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	126.6	-177.5	178.8	73	0	0	0	110.4	F325 L326 F327 V504 P525 V527 Y551 L571 F574	F325-L502 PolarHBondContact O-N 3.29Å; L326-L502 VanDerWaalsContact CA-O 3.29Å; L326-L502 WeakPolarHBondContact CA-O 3.34Å; L326-L502 HydrophobicContact CD1-CB 4Å; L326-L502 HydrophobicContact CD2-CD2 4.19Å; L326-L502 HydrophobicContact CG-CB 3.99Å; L326-L502 HydrophobicContact CG-CD2 4.14Å; L326-L502 HydrophobicContact CG-CG 4.44Å; F327-L502 PolarHBondContact N-O 3.2Å; L502-V504 HydrophobicContact CD2-CG2 3.96Å; L502-V504 HydrophobicContact CG-CG2 3.99Å; L502-P525 WeakPolarHBondContact CA-O 3.5Å; L502-P525 HydrophobicContact CD1-CB 3.79Å; L502-V527 HydrophobicContact CD1-CG2 4.16Å; L502-V527 HydrophobicContact CD2-CG2 4.12Å; L502-V527 HydrophobicContact CG-CG2 4.34Å; L502-Y551 HydrophobicContact CD1-CD2 4.25Å; L502-Y551 HydrophobicContact CD1-CE2 4.21Å; L502-L571 HydrophobicContact CD2-CD2 3.7Å; L502-F574 HydrophobicContact CB-CD1 4.41Å; L502-F574 HydrophobicContact CB-CE1 3.96Å; L502-F574 HydrophobicContact CB-CE2 4.48Å; L502-F574 HydrophobicContact CB-CZ 4Å; L502-F574 HydrophobicContact CD1-CE2 4.43Å; L502-F574 HydrophobicContact CD2-CD1 4.15Å; L502-F574 HydrophobicContact CD2-CG 4.14Å
503	G	98.8	Very high	96.7	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	138.5	166	0	0	0	0	0	110.8	F327 P525 S526 V527	F327-G503 CarbonylContact O-C 3.59Å; G503-P525 PolarHBondContact N-O 2.92Å; G503-S526 CarbonylContact O-C 3.52Å; G503-S526 VanDerWaalsContact O-CA 3.22Å; G503-S526 WeakPolarHBondContact O-CA 2.88Å; G503-V527 PolarHBondContact O-N 3.17Å
504	V	98.8	Very high	96.6	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	103.8	-176.3	-172.4	0	0	0	0	109.6	L326 F327 I328 F342 L502 P506 V527 L567 L571	L326-V504 HydrophobicContact CD2-CG2 4.2Å; L326-V504 HydrophobicContact CG-CG2 4.25Å; F327-V504 PolarHBondContact O-N 3.12Å; I328-V504 WeakPolarHBondContact CB-O 3.47Å; I328-V504 VanDerWaalsContact CG1-O 3.28Å; I328-V504 WeakPolarHBondContact CG1-O 3.33Å; F342-V504 HydrophobicContact CD1-CG1 4.5Å; F342-V504 HydrophobicContact CD2-CB 4.31Å; F342-V504 HydrophobicContact CD2-CG1 3.59Å; F342-V504 HydrophobicContact CE1-CB 4.09Å; F342-V504 HydrophobicContact CE1-CG1 4.36Å; F342-V504 HydrophobicContact CE2-CB 3.77Å; F342-V504 HydrophobicContact CE2-CG1 3.43Å; F342-V504 VanDerWaalsContact CE2-CG1 3.43Å; F342-V504 HydrophobicContact CE2-CG2 4.01Å; F342-V504 HydrophobicContact CG-CG1 4.15Å; F342-V504 HydrophobicContact CZ-CB 3.63Å; F342-V504 HydrophobicContact CZ-CG1 3.84Å; F342-V504 HydrophobicContact CZ-CG2 3.9Å; L502-V504 HydrophobicContact CD2-CG2 3.96Å; L502-V504 HydrophobicContact CG-CG2 3.99Å; V504-P506 VanDerWaalsContact C-CD 3.49Å; V504-P506 WeakPolarHBondContact O-CD 3.36Å; V504-V527 HydrophobicContact CG1-CB 4.14Å; V504-V527 HydrophobicContact CG1-CG2 4.28Å; V504-V527 HydrophobicContact CG2-CG2 4.2Å; V504-L567 HydrophobicContact CG1-CD1 3.97Å; V504-L567 HydrophobicContact CG1-CD2 4.5Å; V504-L571 HydrophobicContact CG1-CD2 4.46Å; V504-L571 HydrophobicContact CG2-CD2 3.89Å
505	F	98.5	Very high	96.7	Very high	4 Å²	4	9.9 Å²	9.9	2%	0.018	5%	0.046	C	C	.	.			trans	-125.1	70.2	-173.3	-41.9	-72.2	0	0	0	110.4	F327 I328 S507 T515 P516 V527 T528	F327-F505 HydrophobicContact CD2-CE1 4.42Å; F327-F505 HydrophobicContact CD2-CZ 4.45Å; F327-F505 AromaticContact CE2-CE1 4Å; F327-F505 HydrophobicContact CE2-CE1 4Å; F327-F505 AromaticContact CE2-CZ 3.73Å; F327-F505 HydrophobicContact CE2-CZ 3.73Å; F327-F505 AromaticContact CZ-CZ 3.8Å; F327-F505 HydrophobicContact CZ-CZ 3.8Å; I328-F505 HydrophobicContact CG1-CD1 4.23Å; F505-S507 PolarHBondContact O-N 3.14Å; F505-T515 HydrophobicContact CD1-CG2 3.78Å; F505-T515 HydrophobicContact CE1-CG2 3.17Å; F505-T515 HydrophobicContact CE2-CG2 4.26Å; F505-T515 HydrophobicContact CZ-CG2 3.44Å; F505-T515 VanDerWaalsContact CZ-CG2 3.44Å; F505-P516 HydrophobicContact CD2-CB 3.7Å; F505-P516 HydrophobicContact CD2-CG 4.14Å; F505-P516 HydrophobicContact CE2-CB 4.07Å; F505-V527 CarbonylContact C-O 3.6Å; F505-V527 WeakPolarHBondContact CA-O 3.48Å; F505-V527 PolarHBondContact N-O 3.43Å; F505-T528 WeakPolarHBondContact O-CA 3.33Å
506	P	98.1	Very high	96.7	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.037	C	C	.	.			trans	-79.9	50	-175.3	35.4	-34.6	0	0	0	111.1	G338 I341 F342 V504 T529 R555 L567	G338-P506 WeakPolarHBondContact CA-O 3.48Å; G338-P506 WeakPolarHBondContact O-CG 3.32Å; I341-P506 HydrophobicContact CG2-CB 4.49Å; F342-P506 HydrophobicContact CB-CG 3.96Å; V504-P506 VanDerWaalsContact C-CD 3.49Å; V504-P506 WeakPolarHBondContact O-CD 3.36Å; P506-T529 VanDerWaalsContact CA-CG2 3.4Å; P506-T529 HydrophobicContact CB-CG2 4.29Å; P506-R555 WeakPolarHBondContact O-CD 3.47Å; P506-R555 PolarHBondContact O-NH1 3.05Å; P506-L567 HydrophobicContact CB-CD2 3.92Å; P506-L567 HydrophobicContact CG-CD2 4.01Å
507	S	97.4	Very high	96.6	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.038	C	C	.	.			trans	-58.3	140.6	-172.5	-55.6	0	0	0	0	113.2	N336 F505 E510 T529	N336-S507 CarbonylContact O-C 3.47Å; N336-S507 VanDerWaalsContact O-CA 3.3Å; N336-S507 WeakPolarHBondContact O-CA 3.24Å; N336-S507 WeakPolarHBondContact O-CB 3.37Å; F505-S507 PolarHBondContact O-N 3.14Å; S507-E510 VanDerWaalsContact CB-OE2 3.24Å; S507-E510 WeakPolarHBondContact CB-OE2 3.36Å; S507-E510 VanDerWaalsContact OG-CD 3.23Å; S507-E510 PolarHBondContact OG-OE2 2.9Å; S507-T529 WeakPolarHBondContact O-CB 3.4Å; S507-T529 VanDerWaalsContact O-CG2 3.24Å; S507-T529 WeakPolarHBondContact O-CG2 3.34Å; S507-T529 PolarHBondContact O-OG1 3.32Å
508	Y	96.5	Very high	96.3	Very high	32 Å²	32	10.5 Å²	10.5	13%	0.125	5%	0.049	C	C	.	.	S	Bend	trans	-88.8	-46.5	167.8	-176.2	-108.9	0	0	0	111.2	C214 F220 Y221 N336 L531	C214-Y508 HydrophobicContact CB-CD1 4.32Å; C214-Y508 HydrophobicContact CB-CE1 4.34Å; F220-Y508 HydrophobicContact CB-CE1 4.22Å; F220-Y508 PolarHBondContact N-OH 3.42Å; Y221-Y508 HydrophobicContact CD2-CE1 4.44Å; Y221-Y508 HydrophobicContact CD2-CE2 4.19Å; Y221-Y508 AromaticContact CD2-CZ 3.99Å; Y221-Y508 HydrophobicContact CE2-CE1 4.48Å; Y221-Y508 VanDerWaalsContact CE2-O 3.28Å; Y221-Y508 WeakPolarHBondContact CE2-O 3.43Å; N336-Y508 PolarHBondContact O-N 3.39Å; Y508-L531 HydrophobicContact CD2-CD1 3.66Å; Y508-L531 HydrophobicContact CE2-CD1 3.85Å; Y508-L531 WeakPolarHBondContact O-CB 3.47Å
509	Y	95.7	Very high	96.3	Very high	6 Å²	6	9.2 Å²	9.2	2%	0.024	4%	0.044	C	C	.	.	S	Bend	trans	-122.4	103.1	178	-174.5	-100.2	0	0	0	109.9	T207 R211 C214 F220 E265 N336 P511	T207-Y509 PolarHBondContact O-OH 3.13Å; R211-Y509 HydrophobicContact CB-CE1 3.81Å; R211-Y509 HydrophobicContact CG-CE1 4.3Å; R211-Y509 PolarHBondContact N-OH 2.86Å; C214-Y509 HydrophobicContact CB-CD2 4.13Å; C214-Y509 HydrophobicContact CB-CG 3.92Å; C214-Y509 WeakPolarHBondContact SG-CD2 3.38Å; F220-Y509 HydrophobicContact CE1-CE2 4.34Å; E265-Y509 PolarHBondContact OE1-OH 2.81Å; N336-Y509 PolarHBondContact O-N 3.08Å; Y509-P511 HydrophobicContact CE1-CG 4.01Å
510	E	95.2	Very high	96.1	Very high	5 Å²	5	9.2 Å²	9.2	2%	0.023	4%	0.044	C	C	.	.	B	Isolated β-bridge	trans	-147	95.1	-179.9	-176.8	159	-119.9	0	0	110.4	K337 S507 W512 G513 S532 G533	K337-E510 IonicContact NZ-OE1 3.68Å; K337-E510 PolarHBondContact NZ-OE1 3.29Å; S507-E510 VanDerWaalsContact CB-OE2 3.24Å; S507-E510 WeakPolarHBondContact CB-OE2 3.36Å; S507-E510 VanDerWaalsContact OG-CD 3.23Å; S507-E510 PolarHBondContact OG-OE2 2.9Å; E510-W512 PolarHBondContact O-N 2.81Å; E510-W512 VanDerWaalsContact O-N 3.12Å; E510-G513 VanDerWaalsContact CD-CA 3.45Å; E510-S532 WeakPolarHBondContact O-CA 3.09Å; E510-S532 PolarHBondContact OE2-OG 2.94Å; E510-G533 PolarHBondContact O-N 3.42Å
511	P	94.9	Very high	95.8	Very high	23 Å²	23	10.5 Å²	10.5	15%	0.149	5%	0.052	C	C	.	.	S	Bend	trans	-58.2	-32.1	-173.8	-26.6	33	0	0	0	114.3	H205 A206 V258 S259 T262 Y509	H205-P511 WeakPolarHBondContact O-CB 3.48Å; A206-P511 HydrophobicContact CB-CB 4.22Å; A206-P511 HydrophobicContact CB-CG 3.57Å; V258-P511 HydrophobicContact CG2-CB 4.4Å; S259-P511 WeakPolarHBondContact CB-O 3.42Å; S259-P511 PolarHBondContact OG-O 3.48Å; T262-P511 WeakPolarHBondContact OG1-CA 3.4Å; Y509-P511 HydrophobicContact CE1-CG 4.01Å
512	W	95.4	Very high	95.4	Very high	7 Å²	7	10.8 Å²	10.8	3%	0.027	5%	0.053	C	C	.	.	S	Bend	trans	-125.6	-82	170.7	-179.8	-117.2	0	0	0	112	V258 P279 N280 E510 Y514 S532 G533 F534 F537	V258-W512 HydrophobicContact CG2-CB 4.31Å; P279-W512 HydrophobicContact CB-CH2 3.56Å; P279-W512 HydrophobicContact CB-CZ2 4.37Å; P279-W512 HydrophobicContact CB-CZ3 3.67Å; N280-W512 HydrophobicContact CB-CD2 4.06Å; N280-W512 HydrophobicContact CB-CG 3.93Å; N280-W512 WeakPolarHBondContact ND2-CB 3.32Å; N280-W512 VanDerWaalsContact O-CE2 3.25Å; N280-W512 WeakPolarHBondContact O-CZ2 3.13Å; N280-W512 PolarHBondContact O-NE1 3.5Å; E510-W512 PolarHBondContact O-N 2.81Å; E510-W512 VanDerWaalsContact O-N 3.12Å; W512-Y514 AromaticContact CD1-CD1 3.89Å; W512-Y514 AromaticContact CD1-CE1 3.78Å; W512-Y514 AromaticContact CD1-CE2 3.97Å; W512-Y514 AromaticContact CD1-CZ 3.79Å; W512-S532 PolarHBondContact O-OG 3.34Å; W512-S532 VanDerWaalsContact O-OG 3.11Å; W512-G533 CarbonylContact O-C 3.57Å; W512-G533 WeakPolarHBondContact O-CA 3.38Å; W512-G533 PolarHBondContact O-N 3.29Å; W512-G533 VanDerWaalsContact O-N 3.08Å; W512-F534 WeakPolarHBondContact O-CB 3.37Å; W512-F534 PolarHBondContact O-N 3.05Å; W512-F537 HydrophobicContact CH2-CB 3.94Å; W512-F537 HydrophobicContact CH2-CD1 4.28Å; W512-F537 HydrophobicContact CH2-CD2 4.41Å; W512-F537 AromaticContact CH2-CG 3.95Å; W512-F537 HydrophobicContact CH2-CG 3.95Å; W512-F537 HydrophobicContact CZ3-CB 4.04Å; W512-F537 HydrophobicContact CZ3-CG 4.44Å
513	G	94.3	Very high	95.2	Very high	3 Å²	3	10.8 Å²	10.8	3%	0.031	5%	0.053	C	C	.	.			trans	112.1	69.9	-174.1	0	0	0	0	0	112.3	E510 T515 P516 A517	E510-G513 VanDerWaalsContact CD-CA 3.45Å; G513-T515 VanDerWaalsContact C-N 3.34Å; G513-P516 VanDerWaalsContact O-CD 3.31Å; G513-P516 WeakPolarHBondContact O-CD 3.43Å; G513-P516 VanDerWaalsContact O-CG 3.31Å; G513-P516 WeakPolarHBondContact O-CG 3.27Å; G513-A517 PolarHBondContact O-N 3.01Å
514	Y	92.3	Very high	95.1	Very high	41 Å²	41	10.8 Å²	10.8	16%	0.161	5%	0.053	C	C	.	.	H	α-helix	trans	-64.2	-39.7	175.4	-66.2	-81.5	0	0	0	112.3	V47 N280 L282 W512 A517 E518	V47-Y514 HydrophobicContact CG2-CE1 4.2Å; V47-Y514 WeakPolarHBondContact CG2-OH 3.34Å; N280-Y514 HydrophobicContact CB-CE1 3.8Å; N280-Y514 PolarHBondContact ND2-OH 3.43Å; L282-Y514 HydrophobicContact CD2-CD1 4.39Å; W512-Y514 AromaticContact CD1-CD1 3.89Å; W512-Y514 AromaticContact CD1-CE1 3.78Å; W512-Y514 AromaticContact CD1-CE2 3.97Å; W512-Y514 AromaticContact CD1-CZ 3.79Å; Y514-A517 CarbonylContact O-C 3.58Å; Y514-A517 WeakPolarHBondContact O-CA 3.47Å; Y514-A517 WeakPolarHBondContact O-CB 3.33Å; Y514-A517 PolarHBondContact O-N 3.12Å; Y514-E518 WeakPolarHBondContact O-CB 3.39Å; Y514-E518 VanDerWaalsContact O-CG 3.29Å; Y514-E518 WeakPolarHBondContact O-CG 3.41Å; Y514-E518 PolarHBondContact O-N 3.24Å
515	T	93.8	Very high	95.1	Very high	17 Å²	17	10.9 Å²	10.9	10%	0.104	5%	0.054	C	C	.	.	H	α-helix	trans	-57.5	-49	-175.2	-42.4	0	0	0	0	112.5	A329 Y493 F505 G513 C519	A329-T515 HydrophobicContact CB-CG2 4.14Å; Y493-T515 WeakPolarHBondContact OH-CG2 3.43Å; F505-T515 HydrophobicContact CD1-CG2 3.78Å; F505-T515 HydrophobicContact CE1-CG2 3.17Å; F505-T515 HydrophobicContact CE2-CG2 4.26Å; F505-T515 HydrophobicContact CZ-CG2 3.44Å; F505-T515 VanDerWaalsContact CZ-CG2 3.44Å; G513-T515 VanDerWaalsContact C-N 3.34Å; T515-C519 PolarHBondContact O-N 3.03Å; T515-C519 VanDerWaalsContact O-N 3.07Å; T515-C519 PolarHBondContact O-SG 3.47Å
516	P	96.8	Very high	95.1	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-69	-30.4	171.8	24.3	-32.9	0	0	0	114.3	F505 G513 C519 T520 F534	F505-P516 HydrophobicContact CD2-CB 3.7Å; F505-P516 HydrophobicContact CD2-CG 4.14Å; F505-P516 HydrophobicContact CE2-CB 4.07Å; G513-P516 VanDerWaalsContact O-CD 3.31Å; G513-P516 WeakPolarHBondContact O-CD 3.43Å; G513-P516 VanDerWaalsContact O-CG 3.31Å; G513-P516 WeakPolarHBondContact O-CG 3.27Å; P516-C519 WeakPolarHBondContact O-CB 3.17Å; P516-C519 PolarHBondContact O-N 3.19Å; P516-T520 PolarHBondContact O-N 3.48Å; P516-T520 PolarHBondContact O-OG1 3.05Å; P516-F534 HydrophobicContact CB-CD1 3.64Å; P516-F534 HydrophobicContact CB-CE1 3.63Å; P516-F534 HydrophobicContact CB-CG 4.24Å; P516-F534 HydrophobicContact CB-CZ 4.2Å; P516-F534 HydrophobicContact CG-CB 4.25Å; P516-F534 HydrophobicContact CG-CD1 3.66Å; P516-F534 HydrophobicContact CG-CE1 4.2Å; P516-F534 HydrophobicContact CG-CG 3.94Å
517	A	94.3	Very high	95.1	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.008	5%	0.053	C	C	.	.	H	α-helix	trans	-64.9	-46.9	174.7	0	0	0	0	0	111.8	L282 G513 Y514 C519 T520 V521 F534 L596	L282-A517 HydrophobicContact CD1-CB 4.04Å; G513-A517 PolarHBondContact O-N 3.01Å; Y514-A517 CarbonylContact O-C 3.58Å; Y514-A517 WeakPolarHBondContact O-CA 3.47Å; Y514-A517 WeakPolarHBondContact O-CB 3.33Å; Y514-A517 PolarHBondContact O-N 3.12Å; A517-C519 VanDerWaalsContact C-N 3.34Å; A517-C519 PolarHBondContact O-N 3.02Å; A517-T520 WeakPolarHBondContact O-CB 3.41Å; A517-T520 PolarHBondContact O-N 2.94Å; A517-T520 VanDerWaalsContact O-N 3.11Å; A517-V521 WeakPolarHBondContact O-CG2 3.47Å; A517-V521 PolarHBondContact O-N 3.4Å; A517-F534 HydrophobicContact CB-CD2 3.78Å; A517-F534 HydrophobicContact CB-CE2 3.91Å; A517-L596 HydrophobicContact CB-CD1 4.14Å
518	E	92.3	Very high	95.2	Very high	50 Å²	50	10.7 Å²	10.7	23%	0.234	5%	0.053	C	C	.	.	H	α-helix	trans	-59.2	-42.9	173.5	-71.6	169.4	167.3	0	0	111.2	L282 Y493 Y514 T520 V521 M522	L282-E518 HydrophobicContact CD1-CG 3.96Å; Y493-E518 VanDerWaalsContact CE1-OE2 3.22Å; Y493-E518 WeakPolarHBondContact CE1-OE2 3.33Å; Y493-E518 PolarHBondContact OH-OE2 3.41Å; Y493-E518 VanDerWaalsContact OH-OE2 3.06Å; Y514-E518 WeakPolarHBondContact O-CB 3.39Å; Y514-E518 VanDerWaalsContact O-CG 3.29Å; Y514-E518 WeakPolarHBondContact O-CG 3.41Å; Y514-E518 PolarHBondContact O-N 3.24Å; E518-T520 VanDerWaalsContact C-N 3.28Å; E518-T520 PolarHBondContact O-N 3.24Å; E518-V521 PolarHBondContact O-N 3.25Å; E518-M522 HydrophobicContact CB-CE 3.75Å; E518-M522 WeakPolarHBondContact O-CB 3.45Å; E518-M522 WeakPolarHBondContact O-CE 3.31Å; E518-M522 VanDerWaalsContact O-CG 3.27Å; E518-M522 WeakPolarHBondContact O-CG 3.43Å; E518-M522 PolarHBondContact O-N 3.05Å
519	C	95.2	Very high	95.3	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-55.9	-46	173.4	-69.1	0	0	0	0	111.3	F327 T515 P516 A517 M522 G523 I524	F327-C519 VanDerWaalsContact CZ-SG 3.53Å; T515-C519 PolarHBondContact O-N 3.03Å; T515-C519 VanDerWaalsContact O-N 3.07Å; T515-C519 PolarHBondContact O-SG 3.47Å; P516-C519 WeakPolarHBondContact O-CB 3.17Å; P516-C519 PolarHBondContact O-N 3.19Å; A517-C519 VanDerWaalsContact C-N 3.34Å; A517-C519 PolarHBondContact O-N 3.02Å; C519-M522 CarbonylContact O-C 3.5Å; C519-M522 WeakPolarHBondContact O-CA 3.48Å; C519-M522 PolarHBondContact O-N 3.48Å; C519-M522 VanDerWaalsContact O-N 3.11Å; C519-G523 PolarHBondContact O-N 3.15Å; C519-G523 VanDerWaalsContact O-N 3.14Å; C519-I524 CarbonylContact C-O 3.59Å; C519-I524 VanDerWaalsContact C-O 3.32Å; C519-I524 HydrophobicContact CB-CB 4.29Å; C519-I524 WeakPolarHBondContact CB-O 3.46Å; C519-I524 PolarHBondContact O-N 3.13Å
520	T	94.7	Very high	95.3	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-62.9	-46.3	-179.4	-54.8	0	0	0	0	111.4	P516 A517 E518 M522 G523 F534 M538 I550 T589 L592 L596	P516-T520 PolarHBondContact O-N 3.48Å; P516-T520 PolarHBondContact O-OG1 3.05Å; A517-T520 WeakPolarHBondContact O-CB 3.41Å; A517-T520 PolarHBondContact O-N 2.94Å; A517-T520 VanDerWaalsContact O-N 3.11Å; E518-T520 VanDerWaalsContact C-N 3.28Å; E518-T520 PolarHBondContact O-N 3.24Å; T520-M522 PolarHBondContact O-N 2.86Å; T520-G523 PolarHBondContact O-N 3.26Å; T520-F534 WeakPolarHBondContact OG1-CZ 3.35Å; T520-M538 HydrophobicContact CG2-CE 4.22Å; T520-I550 HydrophobicContact CG2-CD1 4.3Å; T520-I550 WeakPolarHBondContact OG1-CD1 3.23Å; T520-T589 HydrophobicContact CG2-CG2 4.07Å; T520-L592 HydrophobicContact CG2-CB 3.77Å; T520-L596 HydrophobicContact CG2-CD1 3.89Å
521	V	91.3	Very high	95.4	Very high	26 Å²	26	9.2 Å²	9.2	16%	0.158	5%	0.048	C	C	.	.	H	α-helix	trans	-60.4	-30.6	174.6	172.9	0	0	0	0	112.1	L282 V284 A517 E518 G523 L596	L282-V521 HydrophobicContact CD1-CG2 3.95Å; V284-V521 HydrophobicContact CG1-CG1 4.22Å; V284-V521 HydrophobicContact CG2-CG1 4.12Å; V284-V521 HydrophobicContact CG2-CG2 3.93Å; A517-V521 WeakPolarHBondContact O-CG2 3.47Å; A517-V521 PolarHBondContact O-N 3.4Å; E518-V521 PolarHBondContact O-N 3.25Å; V521-G523 VanDerWaalsContact C-N 3.32Å; V521-L596 HydrophobicContact CG2-CB 4.42Å; V521-L596 HydrophobicContact CG2-CD1 4.31Å
522	M	91.3	Very high	95.5	Very high	11 Å²	11	8.1 Å²	8.1	5%	0.054	4%	0.041	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	1.2	176.4	-66.9	-172	-114.4	0	0	114.2	E494 V497 R498 E518 C519 T520 I524	E494-M522 HydrophobicContact CB-SD 4.15Å; E494-M522 HydrophobicContact CG-CE 4.31Å; V497-M522 HydrophobicContact CB-CE 3.96Å; V497-M522 HydrophobicContact CB-SD 3.82Å; V497-M522 HydrophobicContact CG1-CB 4.42Å; V497-M522 HydrophobicContact CG1-CE 3.78Å; V497-M522 HydrophobicContact CG1-SD 3.71Å; V497-M522 HydrophobicContact CG2-CE 4.28Å; R498-M522 HydrophobicContact CG-CB 4.1Å; R498-M522 HydrophobicContact CG-CG 4.24Å; R498-M522 HydrophobicContact CG-SD 3.85Å; R498-M522 PolarHBondContact NH1-O 2.91Å; R498-M522 VanDerWaalsContact NH1-O 3.15Å; E518-M522 HydrophobicContact CB-CE 3.75Å; E518-M522 WeakPolarHBondContact O-CB 3.45Å; E518-M522 WeakPolarHBondContact O-CE 3.31Å; E518-M522 VanDerWaalsContact O-CG 3.27Å; E518-M522 WeakPolarHBondContact O-CG 3.43Å; E518-M522 PolarHBondContact O-N 3.05Å; C519-M522 CarbonylContact O-C 3.5Å; C519-M522 WeakPolarHBondContact O-CA 3.48Å; C519-M522 PolarHBondContact O-N 3.48Å; C519-M522 VanDerWaalsContact O-N 3.11Å; T520-M522 PolarHBondContact O-N 2.86Å; M522-I524 VanDerWaalsContact C-N 3.31Å; M522-I524 HydrophobicContact CB-CG1 4.21Å
523	G	93.3	Very high	95.6	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	22.3	-177.8	0	0	0	0	0	113.8	C519 T520 V521 R586	C519-G523 PolarHBondContact O-N 3.15Å; C519-G523 VanDerWaalsContact O-N 3.14Å; T520-G523 PolarHBondContact O-N 3.26Å; V521-G523 VanDerWaalsContact C-N 3.32Å; G523-R586 WeakPolarHBondContact O-CA 3.3Å; G523-R586 VanDerWaalsContact O-CB 3.24Å; G523-R586 WeakPolarHBondContact O-CB 3.33Å; G523-R586 WeakPolarHBondContact O-CG 3.43Å
524	I	97.2	Very high	95.7	Very high	1 Å²	1	7.7 Å²	7.7	1%	0.005	4%	0.038	C	C	.	.			trans	-104.2	118.5	-179.6	-55.1	-57.9	0	0	0	109.1	V497 C519 M522	V497-I524 HydrophobicContact CG1-CG1 4.2Å; V497-I524 WeakPolarHBondContact O-CG1 3.48Å; C519-I524 CarbonylContact C-O 3.59Å; C519-I524 VanDerWaalsContact C-O 3.32Å; C519-I524 HydrophobicContact CB-CB 4.29Å; C519-I524 WeakPolarHBondContact CB-O 3.46Å; C519-I524 PolarHBondContact O-N 3.13Å; M522-I524 VanDerWaalsContact C-N 3.31Å; M522-I524 HydrophobicContact CB-CG1 4.21Å
525	P	98.4	Very high	95.9	Very high	1 Å²	1	5.7 Å²	5.7	1%	0.006	3%	0.031	C	C	.	.			trans	-51	149.3	173.5	-30.2	35.7	0	0	0	111.7	L502 G503 G549 Y551 F574 Q585 R586	L502-P525 WeakPolarHBondContact CA-O 3.5Å; L502-P525 HydrophobicContact CD1-CB 3.79Å; G503-P525 PolarHBondContact N-O 2.92Å; P525-G549 CarbonylContact C-O 3.55Å; P525-G549 VanDerWaalsContact CA-O 3.28Å; P525-G549 WeakPolarHBondContact CA-O 3.31Å; P525-G549 WeakPolarHBondContact CB-O 3.08Å; P525-Y551 HydrophobicContact CB-CE2 4.48Å; P525-F574 HydrophobicContact CB-CE2 4.46Å; P525-F574 HydrophobicContact CG-CE2 4.46Å; P525-Q585 HydrophobicContact CG-CG 4.09Å; P525-R586 HydrophobicContact CG-CG 4.46Å
526	S	98.5	Very high	96	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	149.7	179.2	64.7	0	0	0	0	113.1	G503 G549 Y551	G503-S526 CarbonylContact O-C 3.52Å; G503-S526 VanDerWaalsContact O-CA 3.22Å; G503-S526 WeakPolarHBondContact O-CA 2.88Å; S526-G549 PolarHBondContact N-O 2.91Å; S526-Y551 PolarHBondContact O-N 2.99Å
527	V	98.8	Very high	95.9	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	131.5	166.7	-168.4	0	0	0	0	108.8	L502 G503 V504 F505 Y551 V553 L567 L571	L502-V527 HydrophobicContact CD1-CG2 4.16Å; L502-V527 HydrophobicContact CD2-CG2 4.12Å; L502-V527 HydrophobicContact CG-CG2 4.34Å; G503-V527 PolarHBondContact O-N 3.17Å; V504-V527 HydrophobicContact CG1-CB 4.14Å; V504-V527 HydrophobicContact CG1-CG2 4.28Å; V504-V527 HydrophobicContact CG2-CG2 4.2Å; F505-V527 CarbonylContact C-O 3.6Å; F505-V527 WeakPolarHBondContact CA-O 3.48Å; F505-V527 PolarHBondContact N-O 3.43Å; V527-Y551 CarbonylContact C-O 3.56Å; V527-Y551 VanDerWaalsContact CA-O 3.29Å; V527-Y551 WeakPolarHBondContact CA-O 3.24Å; V527-Y551 HydrophobicContact CG2-CD2 4.35Å; V527-Y551 HydrophobicContact CG2-CG 4.42Å; V527-V553 HydrophobicContact CG1-CG2 3.68Å; V527-L567 HydrophobicContact CB-CD1 4.44Å; V527-L567 HydrophobicContact CG1-CD1 3.73Å; V527-L567 HydrophobicContact CG2-CD1 4.45Å; V527-L571 HydrophobicContact CG2-CD2 4.49Å
528	T	98.6	Very high	95.9	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	-169.6	176.4	-169.9	0	0	0	0	109.6	F505 S532 F534 I550 Y551 I552 V553	F505-T528 WeakPolarHBondContact O-CA 3.33Å; T528-S532 WeakPolarHBondContact OG1-CB 3.15Å; T528-S532 PolarHBondContact OG1-OG 2.93Å; T528-F534 HydrophobicContact CG2-CD1 3.94Å; T528-F534 HydrophobicContact CG2-CE1 4.12Å; T528-I550 HydrophobicContact CG2-CG2 4.39Å; T528-Y551 PolarHBondContact N-O 3.12Å; T528-I552 HydrophobicContact CG2-CG1 3.96Å; T528-V553 PolarHBondContact O-N 3.21Å
529	T	98.6	Very high	95.9	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	159.2	-178.3	73.7	0	0	0	0	111.6	P506 S507 L531 S532 V553 R555	P506-T529 VanDerWaalsContact CA-CG2 3.4Å; P506-T529 HydrophobicContact CB-CG2 4.29Å; S507-T529 WeakPolarHBondContact O-CB 3.4Å; S507-T529 VanDerWaalsContact O-CG2 3.24Å; S507-T529 WeakPolarHBondContact O-CG2 3.34Å; S507-T529 PolarHBondContact O-OG1 3.32Å; T529-L531 PolarHBondContact O-N 3.46Å; T529-L531 VanDerWaalsContact O-N 3.16Å; T529-L531 PolarHBondContact OG1-N 3.5Å; T529-S532 WeakPolarHBondContact O-CB 3.47Å; T529-S532 PolarHBondContact O-N 3.4Å; T529-S532 VanDerWaalsContact O-N 3.1Å; T529-S532 PolarHBondContact OG1-N 3.09Å; T529-V553 VanDerWaalsContact CA-O 3.25Å; T529-V553 WeakPolarHBondContact CA-O 3.37Å; T529-V553 HydrophobicContact CG2-CB 4.37Å; T529-R555 HydrophobicContact CG2-CG 3.95Å
530	N	96.9	Very high	95.6	Very high	11 Å²	11	13.3 Å²	13.3	6%	0.059	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	12.8	169	65.1	-10	0	0	0	113.9	I552 V553 D554 R555 R556	N530-I552 HydrophobicContact CB-CG2 4.22Å; N530-V553 PolarHBondContact N-O 3.01Å; N530-V553 VanDerWaalsContact N-O 3.13Å; N530-V553 PolarHBondContact OD1-O 3.47Å; N530-D554 PolarHBondContact ND2-OD1 2.89Å; N530-D554 WeakPolarHBondContact OD1-CA 3.45Å; N530-R555 PolarHBondContact OD1-N 3.41Å; N530-R556 PolarHBondContact OD1-N 3.4Å; N530-R556 VanDerWaalsContact OD1-N 3.17Å
531	L	96.8	Very high	95.3	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.005	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-0.5	166.8	-64.4	178.7	0	0	0	112.3	Y221 I261 Y508 T529 R555 R556	Y221-L531 HydrophobicContact CD1-CD2 4.19Å; Y221-L531 HydrophobicContact CD2-CD1 3.77Å; Y221-L531 HydrophobicContact CD2-CD2 3.61Å; Y221-L531 HydrophobicContact CD2-CG 4.24Å; Y221-L531 HydrophobicContact CE1-CD2 4.41Å; Y221-L531 HydrophobicContact CE2-CB 4.26Å; Y221-L531 HydrophobicContact CE2-CD1 3.94Å; Y221-L531 HydrophobicContact CE2-CD2 3.84Å; Y221-L531 HydrophobicContact CE2-CG 4.24Å; Y221-L531 HydrophobicContact CG-CD2 3.76Å; I261-L531 HydrophobicContact CD1-CD2 3.99Å; I261-L531 HydrophobicContact CG1-CD2 4.46Å; Y508-L531 HydrophobicContact CD2-CD1 3.66Å; Y508-L531 HydrophobicContact CE2-CD1 3.85Å; Y508-L531 WeakPolarHBondContact O-CB 3.47Å; T529-L531 PolarHBondContact O-N 3.46Å; T529-L531 VanDerWaalsContact O-N 3.16Å; T529-L531 PolarHBondContact OG1-N 3.5Å; L531-R555 HydrophobicContact CD1-CB 3.76Å; L531-R555 HydrophobicContact CG-CB 4.22Å; L531-R556 HydrophobicContact CD2-CB 3.71Å; L531-R556 HydrophobicContact CD2-CG 3.85Å; L531-R556 HydrophobicContact CG-CB 4.15Å
532	S	97.4	Very high	95.1	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.061	C	C	.	.	B	Isolated β-bridge	trans	-96.4	136.8	172.5	-175.4	0	0	0	0	109.1	E510 W512 T528 T529 F534 G535 C536	E510-S532 WeakPolarHBondContact O-CA 3.09Å; E510-S532 PolarHBondContact OE2-OG 2.94Å; W512-S532 PolarHBondContact O-OG 3.34Å; W512-S532 VanDerWaalsContact O-OG 3.11Å; T528-S532 WeakPolarHBondContact OG1-CB 3.15Å; T528-S532 PolarHBondContact OG1-OG 2.93Å; T529-S532 WeakPolarHBondContact O-CB 3.47Å; T529-S532 PolarHBondContact O-N 3.4Å; T529-S532 VanDerWaalsContact O-N 3.1Å; T529-S532 PolarHBondContact OG1-N 3.09Å; S532-F534 VanDerWaalsContact C-N 3.28Å; S532-F534 PolarHBondContact O-N 3.49Å; S532-G535 PolarHBondContact O-N 3.35Å; S532-G535 VanDerWaalsContact O-N 3.09Å; S532-C536 PolarHBondContact O-N 3.46Å; S532-C536 PolarHBondContact O-SG 3.1Å
533	G	96.8	Very high	95	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.01	8%	0.081	C	C	.	.	H	α-helix	trans	-57.6	-40.3	179.2	0	0	0	0	0	113.4	E510 W512 C536 F537	E510-G533 PolarHBondContact O-N 3.42Å; W512-G533 CarbonylContact O-C 3.57Å; W512-G533 WeakPolarHBondContact O-CA 3.38Å; W512-G533 PolarHBondContact O-N 3.29Å; W512-G533 VanDerWaalsContact O-N 3.08Å; G533-C536 PolarHBondContact O-N 2.94Å; G533-F537 WeakPolarHBondContact O-CB 3.01Å; G533-F537 PolarHBondContact O-N 3.29Å
534	F	97.2	Very high	94.8	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.4	-43.7	174.3	170.4	-92.3	0	0	0	111.5	W512 P516 A517 T520 T528 S532 F537 M538 I550 L596	W512-F534 WeakPolarHBondContact O-CB 3.37Å; W512-F534 PolarHBondContact O-N 3.05Å; P516-F534 HydrophobicContact CB-CD1 3.64Å; P516-F534 HydrophobicContact CB-CE1 3.63Å; P516-F534 HydrophobicContact CB-CG 4.24Å; P516-F534 HydrophobicContact CB-CZ 4.2Å; P516-F534 HydrophobicContact CG-CB 4.25Å; P516-F534 HydrophobicContact CG-CD1 3.66Å; P516-F534 HydrophobicContact CG-CE1 4.2Å; P516-F534 HydrophobicContact CG-CG 3.94Å; A517-F534 HydrophobicContact CB-CD2 3.78Å; A517-F534 HydrophobicContact CB-CE2 3.91Å; T520-F534 WeakPolarHBondContact OG1-CZ 3.35Å; T528-F534 HydrophobicContact CG2-CD1 3.94Å; T528-F534 HydrophobicContact CG2-CE1 4.12Å; S532-F534 VanDerWaalsContact C-N 3.28Å; S532-F534 PolarHBondContact O-N 3.49Å; F534-F537 PolarHBondContact O-N 3.46Å; F534-M538 HydrophobicContact CD1-CG 4.34Å; F534-M538 HydrophobicContact CD2-CE 4.32Å; F534-M538 HydrophobicContact CD2-CG 4.36Å; F534-M538 HydrophobicContact CE1-CG 3.85Å; F534-M538 HydrophobicContact CE2-CE 3.32Å; F534-M538 HydrophobicContact CE2-CG 3.9Å; F534-M538 HydrophobicContact CE2-SD 4.48Å; F534-M538 HydrophobicContact CZ-CE 3.48Å; F534-M538 VanDerWaalsContact CZ-CE 3.48Å; F534-M538 HydrophobicContact CZ-CG 3.62Å; F534-M538 HydrophobicContact CZ-SD 4.37Å; F534-M538 WeakPolarHBondContact O-CB 3.17Å; F534-M538 WeakPolarHBondContact O-CG 3.4Å; F534-M538 PolarHBondContact O-N 3.19Å; F534-I550 HydrophobicContact CE1-CG2 4.16Å; F534-I550 HydrophobicContact CZ-CD1 4.23Å; F534-L596 HydrophobicContact CD2-CD2 4.37Å; F534-L596 HydrophobicContact CE2-CD1 3.93Å; F534-L596 HydrophobicContact CE2-CD2 4.14Å
535	G	96.9	Very high	94.6	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-63.3	-43.9	177.5	0	0	0	0	0	112	S532 M538 Q539 I552	S532-G535 PolarHBondContact O-N 3.35Å; S532-G535 VanDerWaalsContact O-N 3.09Å; G535-M538 PolarHBondContact O-N 3.24Å; G535-Q539 WeakPolarHBondContact O-CB 3.24Å; G535-Q539 PolarHBondContact O-N 3.32Å; G535-I552 WeakPolarHBondContact O-CD1 3.43Å
536	C	95	Very high	94.4	Very high	21 Å²	21	20.2 Å²	20.2	14%	0.142	11%	0.114	C	C	.	.	H	α-helix	trans	-60	-48.2	174.3	-61	0	0	0	0	111.2	S532 G533 M538 Q539 E540	S532-C536 PolarHBondContact O-N 3.46Å; S532-C536 PolarHBondContact O-SG 3.1Å; G533-C536 PolarHBondContact O-N 2.94Å; C536-M538 PolarHBondContact O-N 3.27Å; C536-Q539 PolarHBondContact O-N 3.04Å; C536-E540 PolarHBondContact O-N 2.98Å; C536-E540 VanDerWaalsContact O-N 3.11Å
537	F	94.8	Very high	94	Very high	8 Å²	8	20.8 Å²	20.8	4%	0.035	12%	0.119	C	C	.	.	H	α-helix	trans	-57.8	-48.7	178.2	176.8	-95.8	0	0	0	112	P279 W512 G533 F534 Q539 E540 H541 L596 L601	P279-F537 HydrophobicContact CB-CD2 4.16Å; P279-F537 HydrophobicContact CB-CE2 4.32Å; P279-F537 HydrophobicContact CG-CD2 3.98Å; P279-F537 HydrophobicContact CG-CE2 4.11Å; W512-F537 HydrophobicContact CH2-CB 3.94Å; W512-F537 HydrophobicContact CH2-CD1 4.28Å; W512-F537 HydrophobicContact CH2-CD2 4.41Å; W512-F537 AromaticContact CH2-CG 3.95Å; W512-F537 HydrophobicContact CH2-CG 3.95Å; W512-F537 HydrophobicContact CZ3-CB 4.04Å; W512-F537 HydrophobicContact CZ3-CG 4.44Å; G533-F537 WeakPolarHBondContact O-CB 3.01Å; G533-F537 PolarHBondContact O-N 3.29Å; F534-F537 PolarHBondContact O-N 3.46Å; F537-Q539 PolarHBondContact O-N 3.31Å; F537-E540 PolarHBondContact O-N 3.09Å; F537-H541 AromaticContact CD2-CE1 3.51Å; F537-H541 AromaticContact CD2-ND1 3.54Å; F537-H541 AromaticContact CE2-CD2 3.95Å; F537-H541 AromaticContact CE2-CE1 3.42Å; F537-H541 VanDerWaalsContact CE2-CE1 3.42Å; F537-H541 WeakPolarHBondContact CE2-CE1 3.23Å; F537-H541 AromaticContact CE2-CG 3.93Å; F537-H541 AromaticContact CE2-ND1 3.59Å; F537-H541 AromaticContact CE2-NE2 3.6Å; F537-H541 WeakPolarHBondContact O-CB 3.37Å; F537-H541 PolarHBondContact O-N 2.79Å; F537-H541 PolarHBondContact O-ND1 2.64Å; F537-L596 HydrophobicContact CD1-CD2 4.28Å; F537-L596 HydrophobicContact CE1-CD2 3.98Å; F537-L601 HydrophobicContact CE2-CD2 3.84Å; F537-L601 HydrophobicContact CZ-CD2 3.77Å
538	M	94.5	Very high	93.7	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-65.2	-39.1	179.3	-74.4	-64.4	-177.4	0	0	112.8	T520 F534 G535 C536 E540 H541 V542 I550 I552 L592 L596	T520-M538 HydrophobicContact CG2-CE 4.22Å; F534-M538 HydrophobicContact CD1-CG 4.34Å; F534-M538 HydrophobicContact CD2-CE 4.32Å; F534-M538 HydrophobicContact CD2-CG 4.36Å; F534-M538 HydrophobicContact CE1-CG 3.85Å; F534-M538 HydrophobicContact CE2-CE 3.32Å; F534-M538 HydrophobicContact CE2-CG 3.9Å; F534-M538 HydrophobicContact CE2-SD 4.48Å; F534-M538 HydrophobicContact CZ-CE 3.48Å; F534-M538 VanDerWaalsContact CZ-CE 3.48Å; F534-M538 HydrophobicContact CZ-CG 3.62Å; F534-M538 HydrophobicContact CZ-SD 4.37Å; F534-M538 WeakPolarHBondContact O-CB 3.17Å; F534-M538 WeakPolarHBondContact O-CG 3.4Å; F534-M538 PolarHBondContact O-N 3.19Å; G535-M538 PolarHBondContact O-N 3.24Å; C536-M538 PolarHBondContact O-N 3.27Å; M538-E540 VanDerWaalsContact C-N 3.26Å; M538-E540 PolarHBondContact O-N 3.07Å; M538-H541 PolarHBondContact O-N 3.08Å; M538-V542 WeakPolarHBondContact O-CB 3.31Å; M538-V542 PolarHBondContact O-N 3.32Å; M538-V542 HydrophobicContact SD-CG2 3.98Å; M538-I550 HydrophobicContact CB-CG2 4.05Å; M538-I550 HydrophobicContact CG-CG2 4.13Å; M538-I552 HydrophobicContact CB-CD1 4.41Å; M538-L592 HydrophobicContact SD-CD1 4.36Å; M538-L596 HydrophobicContact CE-CD1 3.76Å; M538-L596 HydrophobicContact CE-CD2 3.83Å; M538-L596 HydrophobicContact CE-CG 3.91Å
539	Q	92.8	Very high	93.6	Very high	108 Å²	108	20.8 Å²	20.8	51%	0.505	12%	0.119	S	C	.	.	H	α-helix	trans	-63.1	-34.5	177.7	-172.5	170.5	7.8	0	0	112.4	G535 C536 F537 I552	G535-Q539 WeakPolarHBondContact O-CB 3.24Å; G535-Q539 PolarHBondContact O-N 3.32Å; C536-Q539 PolarHBondContact O-N 3.04Å; F537-Q539 PolarHBondContact O-N 3.31Å; Q539-I552 HydrophobicContact CB-CD1 3.76Å; Q539-I552 HydrophobicContact CG-CD1 4.46Å
540	E	88.9	Confident	93.6	Very high	90 Å²	90	20.8 Å²	20.8	42%	0.421	12%	0.119	S	C	.	.	H	α-helix	trans	-77.1	-44.3	179	-173.6	-176.4	166.2	0	0	112	C536 F537 M538 T631 K635	C536-E540 PolarHBondContact O-N 2.98Å; C536-E540 VanDerWaalsContact O-N 3.11Å; F537-E540 PolarHBondContact O-N 3.09Å; M538-E540 VanDerWaalsContact C-N 3.26Å; M538-E540 PolarHBondContact O-N 3.07Å; E540-T631 PolarHBondContact OE1-OG1 2.86Å; E540-K635 WeakPolarHBondContact O-CE 3.17Å
541	H	87.2	Confident	93.7	Very high	4 Å²	4	21 Å²	21	2%	0.019	12%	0.119	C	C	.	.	H	α-helix	trans	-93.4	-11.8	-168.6	-67	75.3	0	0	0	114.7	F537 M538 Y604 K635 Y636	F537-H541 AromaticContact CD2-CE1 3.51Å; F537-H541 AromaticContact CD2-ND1 3.54Å; F537-H541 AromaticContact CE2-CD2 3.95Å; F537-H541 AromaticContact CE2-CE1 3.42Å; F537-H541 VanDerWaalsContact CE2-CE1 3.42Å; F537-H541 WeakPolarHBondContact CE2-CE1 3.23Å; F537-H541 AromaticContact CE2-CG 3.93Å; F537-H541 AromaticContact CE2-ND1 3.59Å; F537-H541 AromaticContact CE2-NE2 3.6Å; F537-H541 WeakPolarHBondContact O-CB 3.37Å; F537-H541 PolarHBondContact O-N 2.79Å; F537-H541 PolarHBondContact O-ND1 2.64Å; M538-H541 PolarHBondContact O-N 3.08Å; H541-Y604 PolarHBondContact NE2-OH 3.22Å; H541-K635 CarbonylContact O-C 3.59Å; H541-K635 WeakPolarHBondContact O-CA 3.36Å; H541-Y636 PolarHBondContact O-N 2.93Å
542	V	88.4	Confident	93.7	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.012	13%	0.125	C	C	.	.	B	Isolated β-bridge	trans	-122.9	125.5	-178.7	-176.1	0	0	0	0	109.9	M538 D544 P545 Y548 L592 L595	M538-V542 WeakPolarHBondContact O-CB 3.31Å; M538-V542 PolarHBondContact O-N 3.32Å; M538-V542 HydrophobicContact SD-CG2 3.98Å; V542-D544 PolarHBondContact O-N 2.87Å; V542-P545 HydrophobicContact CB-CG 4.16Å; V542-P545 HydrophobicContact CG1-CB 4.5Å; V542-P545 HydrophobicContact CG1-CG 4.34Å; V542-P545 WeakPolarHBondContact O-CD 3.08Å; V542-Y548 HydrophobicContact CG1-CD2 3.8Å; V542-Y548 HydrophobicContact CG1-CE2 4.3Å; V542-L592 HydrophobicContact CG1-CD2 4.44Å; V542-L592 HydrophobicContact CG2-CD1 4.38Å; V542-L592 HydrophobicContact CG2-CD2 4Å; V542-L595 HydrophobicContact CG2-CD1 3.99Å
543	A	87.6	Confident	93.8	Very high	58 Å²	58	22.1 Å²	22.1	48%	0.479	13%	0.125	S	C	.	.	S	Bend	trans	-67.4	-36	-174.7	0	0	0	0	0	113.6	K635 Y636	A543-K635 HydrophobicContact CB-CB 4.28Å; A543-Y636 WeakPolarHBondContact CB-O 3.28Å; A543-Y636 PolarHBondContact N-O 3.01Å
544	D	89.7	Confident	93.8	Very high	41 Å²	41	23.5 Å²	23.5	22%	0.219	13%	0.132	C	C	.	.			trans	-135.9	77.3	177.9	-174.9	-6	0	0	0	109.9	V542 T546 A547 Y548 R638	V542-D544 PolarHBondContact O-N 2.87Å; D544-T546 PolarHBondContact O-N 3.08Å; D544-A547 HydrophobicContact CB-CB 4.18Å; D544-A547 VanDerWaalsContact CG-CB 3.46Å; D544-A547 PolarHBondContact O-N 2.82Å; D544-A547 PolarHBondContact OD1-N 2.93Å; D544-A547 WeakPolarHBondContact OD2-CB 3.32Å; D544-Y548 WeakPolarHBondContact O-CD2 3.37Å; D544-R638 HydrophobicContact CB-CB 4.4Å; D544-R638 HydrophobicContact CB-CG 4.06Å; D544-R638 IonicContact OD2-CZ 2.63Å; D544-R638 IonicContact OD2-NE 3.39Å; D544-R638 PolarHBondContact OD2-NE 2.94Å; D544-R638 VanDerWaalsContact OD2-NE 3.12Å
545	P	93.3	Very high	93.8	Very high	20 Å²	20	25 Å²	25	13%	0.13	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-35.3	-174.9	-23.5	32.5	0	0	0	112.8	V542 A547 Y548 G549 I550 I552	V542-P545 HydrophobicContact CB-CG 4.16Å; V542-P545 HydrophobicContact CG1-CB 4.5Å; V542-P545 HydrophobicContact CG1-CG 4.34Å; V542-P545 WeakPolarHBondContact O-CD 3.08Å; P545-A547 PolarHBondContact O-N 2.69Å; P545-Y548 CarbonylContact O-C 3.54Å; P545-Y548 WeakPolarHBondContact O-CA 3.22Å; P545-Y548 PolarHBondContact O-N 2.64Å; P545-Y548 VanDerWaalsContact O-N 3.1Å; P545-G549 PolarHBondContact O-N 3.25Å; P545-I550 CarbonylContact C-O 3.5Å; P545-I550 HydrophobicContact CB-CB 3.92Å; P545-I550 HydrophobicContact CB-CG2 4.27Å; P545-I550 WeakPolarHBondContact CB-O 3.25Å; P545-I550 WeakPolarHBondContact O-CA 3.43Å; P545-I550 PolarHBondContact O-N 3.44Å; P545-I552 HydrophobicContact CB-CD1 4.19Å; P545-I552 HydrophobicContact CG-CD1 4.21Å
546	T	92.8	Very high	93.7	Very high	59 Å²	59	28.3 Å²	28.3	36%	0.362	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-66.4	-38	-177.4	-61.6	0	0	0	0	112.1	D544 Y548 G549 I550 Y551	D544-T546 PolarHBondContact O-N 3.08Å; T546-Y548 PolarHBondContact O-N 3.2Å; T546-G549 PolarHBondContact O-N 2.97Å; T546-I550 WeakPolarHBondContact CA-O 3.42Å; T546-I550 PolarHBondContact N-O 3.22Å; T546-Y551 HydrophobicContact CG2-CD1 3.87Å; T546-Y551 HydrophobicContact CG2-CE1 3.66Å
547	A	90.4	Very high	93.7	Very high	13 Å²	13	34.4 Å²	34.4	11%	0.107	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-62.4	-27.9	174.3	0	0	0	0	0	113.3	D544 P545 R588 P639 V642	D544-A547 HydrophobicContact CB-CB 4.18Å; D544-A547 VanDerWaalsContact CG-CB 3.46Å; D544-A547 PolarHBondContact O-N 2.82Å; D544-A547 PolarHBondContact OD1-N 2.93Å; D544-A547 WeakPolarHBondContact OD2-CB 3.32Å; P545-A547 PolarHBondContact O-N 2.69Å; A547-R588 PolarHBondContact O-NH1 3.48Å; A547-P639 HydrophobicContact CB-CG 3.97Å; A547-V642 HydrophobicContact CB-CG2 4.17Å
548	Y	93.4	Very high	93.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-90.2	6.3	173.9	-72.1	-85.2	0	0	0	113.8	V542 D544 P545 T546 R588 T589 L592 Y636 P637 P639 D677	V542-Y548 HydrophobicContact CG1-CD2 3.8Å; V542-Y548 HydrophobicContact CG1-CE2 4.3Å; D544-Y548 WeakPolarHBondContact O-CD2 3.37Å; P545-Y548 CarbonylContact O-C 3.54Å; P545-Y548 WeakPolarHBondContact O-CA 3.22Å; P545-Y548 PolarHBondContact O-N 2.64Å; P545-Y548 VanDerWaalsContact O-N 3.1Å; T546-Y548 PolarHBondContact O-N 3.2Å; Y548-R588 HydrophobicContact CD1-CB 3.78Å; Y548-R588 WeakPolarHBondContact CD1-O 3.39Å; Y548-R588 HydrophobicContact CE1-CB 4.33Å; Y548-R588 HydrophobicContact CG-CB 4.45Å; Y548-T589 WeakPolarHBondContact O-CA 3.39Å; Y548-T589 WeakPolarHBondContact O-CB 3.29Å; Y548-T589 PolarHBondContact O-N 3.19Å; Y548-T589 PolarHBondContact O-OG1 2.81Å; Y548-L592 HydrophobicContact CD1-CD1 4.39Å; Y548-L592 HydrophobicContact CD1-CD2 3.9Å; Y548-L592 HydrophobicContact CD1-CG 3.96Å; Y548-L592 HydrophobicContact CE1-CD2 4.39Å; Y548-L592 HydrophobicContact CG-CD1 4.06Å; Y548-L592 HydrophobicContact CG-CD2 4.05Å; Y548-L592 HydrophobicContact CG-CG 4.12Å; Y548-Y636 HydrophobicContact CD1-CE1 4.48Å; Y548-Y636 AromaticContact CE1-CD1 3.99Å; Y548-Y636 HydrophobicContact CE1-CD1 3.99Å; Y548-Y636 AromaticContact CE1-CE1 3.53Å; Y548-Y636 HydrophobicContact CE1-CE1 3.53Å; Y548-Y636 AromaticContact CE2-CD1 3.93Å; Y548-Y636 HydrophobicContact CE2-CD1 3.93Å; Y548-Y636 HydrophobicContact CE2-CE1 4.27Å; Y548-Y636 AromaticContact CZ-CD1 3.53Å; Y548-Y636 AromaticContact CZ-CE1 3.41Å; Y548-Y636 VanDerWaalsContact CZ-CE1 3.41Å; Y548-Y636 VanDerWaalsContact OH-CE1 3.3Å; Y548-Y636 WeakPolarHBondContact OH-CE1 3.43Å; Y548-P637 WeakPolarHBondContact CE2-O 3.42Å; Y548-P637 PolarHBondContact OH-O 3.25Å; Y548-P639 HydrophobicContact CD2-CG 4.11Å; Y548-P639 HydrophobicContact CE1-CG 4.01Å; Y548-P639 HydrophobicContact CE2-CG 3.55Å; Y548-P639 VanDerWaalsContact CZ-CG 3.45Å; Y548-P639 WeakPolarHBondContact OH-CA 3.25Å; Y548-P639 WeakPolarHBondContact OH-CG 3.45Å; Y548-D677 PolarHBondContact OH-OD2 2.96Å
549	G	96.1	Very high	93.8	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	17.5	178.6	0	0	0	0	0	114.6	P525 S526 P545 T546	P525-G549 CarbonylContact C-O 3.55Å; P525-G549 VanDerWaalsContact CA-O 3.28Å; P525-G549 WeakPolarHBondContact CA-O 3.31Å; P525-G549 WeakPolarHBondContact CB-O 3.08Å; S526-G549 PolarHBondContact N-O 2.91Å; P545-G549 PolarHBondContact O-N 3.25Å; T546-G549 PolarHBondContact O-N 2.97Å
550	I	98.3	Very high	93.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	106.2	170.8	-50.1	-56.5	0	0	0	108.7	T520 T528 F534 M538 P545 T546 I552 T589 L592	T520-I550 HydrophobicContact CG2-CD1 4.3Å; T520-I550 WeakPolarHBondContact OG1-CD1 3.23Å; T528-I550 HydrophobicContact CG2-CG2 4.39Å; F534-I550 HydrophobicContact CE1-CG2 4.16Å; F534-I550 HydrophobicContact CZ-CD1 4.23Å; M538-I550 HydrophobicContact CB-CG2 4.05Å; M538-I550 HydrophobicContact CG-CG2 4.13Å; P545-I550 CarbonylContact C-O 3.5Å; P545-I550 HydrophobicContact CB-CB 3.92Å; P545-I550 HydrophobicContact CB-CG2 4.27Å; P545-I550 WeakPolarHBondContact CB-O 3.25Å; P545-I550 WeakPolarHBondContact O-CA 3.43Å; P545-I550 PolarHBondContact O-N 3.44Å; T546-I550 WeakPolarHBondContact CA-O 3.42Å; T546-I550 PolarHBondContact N-O 3.22Å; I550-I552 HydrophobicContact CG2-CD1 4.47Å; I550-I552 HydrophobicContact CG2-CG1 4.15Å; I550-T589 HydrophobicContact CD1-CG2 4.4Å; I550-L592 HydrophobicContact CD1-CD1 4.34Å; I550-L592 HydrophobicContact CG1-CD1 3.67Å
551	Y	98.5	Very high	94.3	Very high	14 Å²	14	40.7 Å²	40.7	6%	0.055	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	122	-179.8	-60.5	-90.8	0	0	0	109.4	L502 P525 S526 V527 T528 T546 F570 F574 Q585	L502-Y551 HydrophobicContact CD1-CD2 4.25Å; L502-Y551 HydrophobicContact CD1-CE2 4.21Å; P525-Y551 HydrophobicContact CB-CE2 4.48Å; S526-Y551 PolarHBondContact O-N 2.99Å; V527-Y551 CarbonylContact C-O 3.56Å; V527-Y551 VanDerWaalsContact CA-O 3.29Å; V527-Y551 WeakPolarHBondContact CA-O 3.24Å; V527-Y551 HydrophobicContact CG2-CD2 4.35Å; V527-Y551 HydrophobicContact CG2-CG 4.42Å; T528-Y551 PolarHBondContact N-O 3.12Å; T546-Y551 HydrophobicContact CG2-CD1 3.87Å; T546-Y551 HydrophobicContact CG2-CE1 3.66Å; Y551-F570 HydrophobicContact CD1-CB 4.08Å; Y551-F570 AromaticContact CD1-CD1 3.95Å; Y551-F570 HydrophobicContact CD1-CD1 3.95Å; Y551-F570 HydrophobicContact CD1-CD2 4.37Å; Y551-F570 HydrophobicContact CD1-CE1 4.45Å; Y551-F570 AromaticContact CD1-CG 3.9Å; Y551-F570 HydrophobicContact CD1-CG 3.9Å; Y551-F570 HydrophobicContact CG-CG 4.47Å; Y551-F574 HydrophobicContact CE2-CD2 4.48Å; Y551-Q585 PolarHBondContact OH-NE2 3.03Å
552	I	98.5	Very high	94.8	Very high	25 Å²	25	44.1 Å²	44.1	13%	0.128	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	109.1	-175.8	-52	179.2	0	0	0	108.6	T528 N530 G535 M538 Q539 P545 I550	T528-I552 HydrophobicContact CG2-CG1 3.96Å; N530-I552 HydrophobicContact CB-CG2 4.22Å; G535-I552 WeakPolarHBondContact O-CD1 3.43Å; M538-I552 HydrophobicContact CB-CD1 4.41Å; Q539-I552 HydrophobicContact CB-CD1 3.76Å; Q539-I552 HydrophobicContact CG-CD1 4.46Å; P545-I552 HydrophobicContact CB-CD1 4.19Å; P545-I552 HydrophobicContact CG-CD1 4.21Å; I550-I552 HydrophobicContact CG2-CD1 4.47Å; I550-I552 HydrophobicContact CG2-CG1 4.15Å
553	V	98.5	Very high	95.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	132.4	174.2	179.7	0	0	0	0	108.8	V527 T528 T529 N530 R555 L567 F570	V527-V553 HydrophobicContact CG1-CG2 3.68Å; T528-V553 PolarHBondContact O-N 3.21Å; T529-V553 VanDerWaalsContact CA-O 3.25Å; T529-V553 WeakPolarHBondContact CA-O 3.37Å; T529-V553 HydrophobicContact CG2-CB 4.37Å; N530-V553 PolarHBondContact N-O 3.01Å; N530-V553 VanDerWaalsContact N-O 3.13Å; N530-V553 PolarHBondContact OD1-O 3.47Å; V553-R555 HydrophobicContact CG1-CG 3.98Å; V553-R555 PolarHBondContact O-N 2.9Å; V553-L567 HydrophobicContact CG2-CB 4.12Å; V553-L567 HydrophobicContact CG2-CD1 4.12Å; V553-F570 HydrophobicContact CG2-CD2 3.97Å; V553-F570 HydrophobicContact CG2-CE2 3.99Å
554	D	97.9	Very high	95.7	Very high	31 Å²	31	41.6 Å²	41.6	17%	0.166	21%	0.213	C	C	.	.			trans	-81.2	100.6	173.3	-177.1	2.8	0	0	0	109	N530 R556 F557 R558 S563	N530-D554 PolarHBondContact ND2-OD1 2.89Å; N530-D554 WeakPolarHBondContact OD1-CA 3.45Å; D554-R556 PolarHBondContact OD1-N 3.4Å; D554-F557 PolarHBondContact OD1-N 3.27Å; D554-R558 HydrophobicContact CB-CG 4.23Å; D554-R558 IonicContact OD2-NE 3.68Å; D554-S563 PolarHBondContact O-OG 2.92Å; D554-S563 VanDerWaalsContact O-OG 3.06Å
555	R	96.4	Very high	96.2	Very high	31 Å²	31	42.4 Å²	42.4	12%	0.117	22%	0.217	C	C	.	.			trans	-104.7	-2.7	174.1	-70.6	-162.9	68	147.7	-1.6	112.7	I341 P506 T529 N530 L531 V553	I341-R555 VanDerWaalsContact CD1-NH2 3.29Å; P506-R555 WeakPolarHBondContact O-CD 3.47Å; P506-R555 PolarHBondContact O-NH1 3.05Å; T529-R555 HydrophobicContact CG2-CG 3.95Å; N530-R555 PolarHBondContact OD1-N 3.41Å; L531-R555 HydrophobicContact CD1-CB 3.76Å; L531-R555 HydrophobicContact CG-CB 4.22Å; V553-R555 HydrophobicContact CG1-CG 3.98Å; V553-R555 PolarHBondContact O-N 2.9Å
556	R	94.9	Very high	96.4	Very high	69 Å²	69	42.7 Å²	42.7	26%	0.26	22%	0.217	S	C	.	.	S	Bend	trans	-93.1	-42.1	-176.9	-171.8	171.2	179	177.6	-1	112.2	N530 L531 D554	N530-R556 PolarHBondContact OD1-N 3.4Å; N530-R556 VanDerWaalsContact OD1-N 3.17Å; L531-R556 HydrophobicContact CD2-CB 3.71Å; L531-R556 HydrophobicContact CD2-CG 3.85Å; L531-R556 HydrophobicContact CG-CB 4.15Å; D554-R556 PolarHBondContact OD1-N 3.4Å
557	F	95.3	Very high	96.7	Very high	150 Å²	150	39.9 Å²	39.9	66%	0.658	20%	0.199	S	C	*	.	S	Bend	trans	-113.1	11.1	-172.3	-51.8	-67.3	0	0	0	113.1	D554	D554-F557 PolarHBondContact OD1-N 3.27Å
558	R	94.9	Very high	97.1	Very high	118 Å²	118	39.5 Å²	39.5	45%	0.445	20%	0.196	S	C	.	.	S	Bend	trans	-129.6	155.8	-178.5	-69	-172.8	-177.6	-150.9	-5.8	111.7	D554 D562	D554-R558 HydrophobicContact CB-CG 4.23Å; D554-R558 IonicContact OD2-NE 3.68Å; R558-D562 HydrophobicContact CB-CB 4.02Å; R558-D562 HydrophobicContact CG-CB 4.48Å
559	S	95.8	Very high	97.3	Very high	49 Å²	49	45.8 Å²	45.8	34%	0.343	23%	0.225	S	C	.	.			trans	-64.3	159.9	172	76.3	0	0	0	0	111.1	D561 D562 S563	S559-D561 PolarHBondContact O-N 3.43Å; S559-D561 PolarHBondContact OG-N 2.76Å; S559-D562 PolarHBondContact O-N 3.4Å; S559-D562 PolarHBondContact OG-N 2.93Å; S559-D562 VanDerWaalsContact OG-N 3.13Å; S559-D562 PolarHBondContact OG-OD2 3.15Å; S559-S563 WeakPolarHBondContact O-CB 3.39Å; S559-S563 PolarHBondContact O-N 3.08Å; S559-S563 PolarHBondContact O-OG 3.22Å
560	P	94.8	Very high	97.4	Very high	94 Å²	94	47.7 Å²	47.7	61%	0.61	23%	0.233	S	C	*	.	H	α-helix	trans	-56.4	-37.1	172.5	-27.3	35.9	0	0	0	113	I341 S563 C564	I341-P560 HydrophobicContact CD1-CB 4.34Å; P560-S563 WeakPolarHBondContact O-CB 3.35Å; P560-S563 PolarHBondContact O-N 3.29Å; P560-C564 PolarHBondContact O-N 2.98Å; P560-C564 PolarHBondContact O-SG 3.32Å
561	D	97.2	Very high	97.5	Very high	77 Å²	77	47.8 Å²	47.8	41%	0.412	23%	0.234	S	C	.	.	H	α-helix	trans	-67.9	-43.5	179.1	-170.2	67.8	0	0	0	112.3	R348 S559 S563 C564 N565	R348-D561 IonicContact CZ-OD1 2.83Å; R348-D561 VanDerWaalsContact CZ-OD1 3.24Å; R348-D561 PolarHBondContact NH1-O 2.83Å; R348-D561 IonicContact NH1-OD1 2.82Å; R348-D561 PolarHBondContact NH1-OD1 2.99Å; R348-D561 IonicContact NH1-OD2 3.02Å; R348-D561 IonicContact NH2-OD1 2.85Å; R348-D561 PolarHBondContact NH2-OD1 3.28Å; S559-D561 PolarHBondContact O-N 3.43Å; S559-D561 PolarHBondContact OG-N 2.76Å; D561-S563 VanDerWaalsContact C-N 3.3Å; D561-S563 PolarHBondContact O-N 2.94Å; D561-C564 WeakPolarHBondContact O-CB 3.44Å; D561-C564 PolarHBondContact O-N 2.84Å; D561-N565 VanDerWaalsContact O-CG 3.32Å; D561-N565 PolarHBondContact O-N 3.45Å; D561-N565 PolarHBondContact O-ND2 2.93Å; D561-N565 PolarHBondContact OD2-ND2 3.3Å
562	D	98.1	Very high	97.5	Very high	75 Å²	75	48.7 Å²	48.7	40%	0.401	24%	0.237	S	C	.	.	H	α-helix	trans	-65.6	-36	176.5	-66.1	-46.5	0	0	0	111.8	R558 S559 N565 Q566	R558-D562 HydrophobicContact CB-CB 4.02Å; R558-D562 HydrophobicContact CG-CB 4.48Å; S559-D562 PolarHBondContact O-N 3.4Å; S559-D562 PolarHBondContact OG-N 2.93Å; S559-D562 VanDerWaalsContact OG-N 3.13Å; S559-D562 PolarHBondContact OG-OD2 3.15Å; D562-N565 PolarHBondContact O-N 2.92Å; D562-Q566 WeakPolarHBondContact O-CB 3.31Å; D562-Q566 PolarHBondContact O-N 3.48Å
563	S	98.1	Very high	97.5	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.014	25%	0.25	C	C	.	.	H	α-helix	trans	-63.4	-45.2	173.5	-57.1	0	0	0	0	111	D554 S559 P560 D561 Q566 L567	D554-S563 PolarHBondContact O-OG 2.92Å; D554-S563 VanDerWaalsContact O-OG 3.06Å; S559-S563 WeakPolarHBondContact O-CB 3.39Å; S559-S563 PolarHBondContact O-N 3.08Å; S559-S563 PolarHBondContact O-OG 3.22Å; P560-S563 WeakPolarHBondContact O-CB 3.35Å; P560-S563 PolarHBondContact O-N 3.29Å; D561-S563 VanDerWaalsContact C-N 3.3Å; D561-S563 PolarHBondContact O-N 2.94Å; S563-Q566 PolarHBondContact O-N 3.22Å; S563-L567 WeakPolarHBondContact O-CB 3.33Å; S563-L567 PolarHBondContact O-N 3.5Å
564	C	97.9	Very high	97.4	Very high	6 Å²	6	49.4 Å²	49.4	4%	0.041	25%	0.25	C	S	.	.	H	α-helix	trans	-59.2	-46	172.5	-73.5	0	0	0	0	111.4	S345 P560 D561 Q566 L567 T568	S345-C564 WeakPolarHBondContact OG-CA 3.34Å; S345-C564 PolarHBondContact OG-O 3.05Å; P560-C564 PolarHBondContact O-N 2.98Å; P560-C564 PolarHBondContact O-SG 3.32Å; D561-C564 WeakPolarHBondContact O-CB 3.44Å; D561-C564 PolarHBondContact O-N 2.84Å; C564-Q566 PolarHBondContact O-N 2.89Å; C564-L567 PolarHBondContact O-N 3.47Å; C564-T568 WeakPolarHBondContact O-CB 3.33Å; C564-T568 PolarHBondContact O-N 3.17Å; C564-T568 PolarHBondContact O-OG1 3.06Å; C564-T568 VanDerWaalsContact O-OG1 3.11Å
565	N	98.4	Very high	97.4	Very high	57 Å²	57	48.2 Å²	48.2	31%	0.305	24%	0.244	S	C	.	.	H	α-helix	trans	-61.3	-43.9	178.7	-72.4	-35.4	0	0	0	112	R348 D561 D562 T568 Q569	R348-N565 VanDerWaalsContact NH1-CG 3.3Å; R348-N565 PolarHBondContact NH1-OD1 2.7Å; D561-N565 VanDerWaalsContact O-CG 3.32Å; D561-N565 PolarHBondContact O-N 3.45Å; D561-N565 PolarHBondContact O-ND2 2.93Å; D561-N565 PolarHBondContact OD2-ND2 3.3Å; D562-N565 PolarHBondContact O-N 2.92Å; N565-T568 PolarHBondContact O-N 2.93Å; N565-Q569 VanDerWaalsContact O-CG 3.29Å; N565-Q569 WeakPolarHBondContact O-CG 3.41Å; N565-Q569 PolarHBondContact O-N 3.34Å
566	Q	98.6	Very high	97.5	Very high	27 Å²	27	53.4 Å²	53.4	13%	0.126	27%	0.267	C	S	.	.	H	α-helix	trans	-63.6	-44.7	176.2	-172	-175.9	25.3	0	0	111.6	D562 S563 C564 T568 Q569 F570	D562-Q566 WeakPolarHBondContact O-CB 3.31Å; D562-Q566 PolarHBondContact O-N 3.48Å; S563-Q566 PolarHBondContact O-N 3.22Å; C564-Q566 PolarHBondContact O-N 2.89Å; Q566-T568 PolarHBondContact O-N 2.83Å; Q566-Q569 WeakPolarHBondContact O-CB 3.41Å; Q566-Q569 PolarHBondContact O-N 3.43Å; Q566-F570 HydrophobicContact CG-CD2 4.4Å; Q566-F570 HydrophobicContact CG-CE1 4.46Å; Q566-F570 HydrophobicContact CG-CE2 3.86Å; Q566-F570 HydrophobicContact CG-CZ 3.9Å; Q566-F570 PolarHBondContact O-N 3.44Å
567	L	98.8	Very high	97.5	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-59.1	-48.6	175.7	177.7	56.1	0	0	0	110.8	I341 F342 S345 V504 P506 V527 V553 S563 C564 Q569 F570 L571	I341-L567 HydrophobicContact CG2-CD2 3.92Å; F342-L567 HydrophobicContact CD2-CD2 4.29Å; S345-L567 WeakPolarHBondContact OG-CD2 3.13Å; V504-L567 HydrophobicContact CG1-CD1 3.97Å; V504-L567 HydrophobicContact CG1-CD2 4.5Å; P506-L567 HydrophobicContact CB-CD2 3.92Å; P506-L567 HydrophobicContact CG-CD2 4.01Å; V527-L567 HydrophobicContact CB-CD1 4.44Å; V527-L567 HydrophobicContact CG1-CD1 3.73Å; V527-L567 HydrophobicContact CG2-CD1 4.45Å; V553-L567 HydrophobicContact CG2-CB 4.12Å; V553-L567 HydrophobicContact CG2-CD1 4.12Å; S563-L567 WeakPolarHBondContact O-CB 3.33Å; S563-L567 PolarHBondContact O-N 3.5Å; C564-L567 PolarHBondContact O-N 3.47Å; L567-Q569 VanDerWaalsContact C-N 3.28Å; L567-Q569 PolarHBondContact O-N 2.92Å; L567-F570 PolarHBondContact O-N 2.99Å; L567-L571 HydrophobicContact CD1-CD1 4.27Å; L567-L571 HydrophobicContact CD1-CD2 4.36Å; L567-L571 HydrophobicContact CD1-CG 4.1Å; L567-L571 HydrophobicContact CG-CD1 4.19Å; L567-L571 HydrophobicContact CG-CG 4.44Å; L567-L571 VanDerWaalsContact O-CG 3.31Å; L567-L571 WeakPolarHBondContact O-CG 3.41Å; L567-L571 PolarHBondContact O-N 3.22Å
568	T	98.8	Very high	97.6	Very high	5 Å²	5	47.4 Å²	47.4	3%	0.031	25%	0.251	C	S	.	.	H	α-helix	trans	-56	-41.8	175.2	-64.1	0	0	0	0	112.1	S345 R348 L352 C564 N565 Q566 L571 Y572	S345-T568 WeakPolarHBondContact CA-OG1 3.49Å; S345-T568 WeakPolarHBondContact CB-OG1 3.29Å; S345-T568 PolarHBondContact O-OG1 2.98Å; S345-T568 VanDerWaalsContact O-OG1 3.07Å; R348-T568 HydrophobicContact CB-CG2 3.76Å; R348-T568 WeakPolarHBondContact CB-OG1 3.38Å; L352-T568 HydrophobicContact CD1-CG2 3.63Å; C564-T568 WeakPolarHBondContact O-CB 3.33Å; C564-T568 PolarHBondContact O-N 3.17Å; C564-T568 PolarHBondContact O-OG1 3.06Å; C564-T568 VanDerWaalsContact O-OG1 3.11Å; N565-T568 PolarHBondContact O-N 2.93Å; Q566-T568 PolarHBondContact O-N 2.83Å; T568-L571 PolarHBondContact O-N 3.09Å; T568-Y572 VanDerWaalsContact O-CB 3.25Å; T568-Y572 WeakPolarHBondContact O-CB 3.25Å; T568-Y572 PolarHBondContact O-N 2.93Å
569	Q	98.4	Very high	97.6	Very high	131 Å²	131	49.5 Å²	49.5	61%	0.612	26%	0.259	S	S	*	.	H	α-helix	trans	-63.1	-43.5	177.4	-74.4	172.1	2.7	0	0	112.2	N565 Q566 L567 Y572 G573	N565-Q569 VanDerWaalsContact O-CG 3.29Å; N565-Q569 WeakPolarHBondContact O-CG 3.41Å; N565-Q569 PolarHBondContact O-N 3.34Å; Q566-Q569 WeakPolarHBondContact O-CB 3.41Å; Q566-Q569 PolarHBondContact O-N 3.43Å; L567-Q569 VanDerWaalsContact C-N 3.28Å; L567-Q569 PolarHBondContact O-N 2.92Å; Q569-Y572 PolarHBondContact O-N 3.14Å; Q569-G573 PolarHBondContact O-N 3.42Å
570	F	98.5	Very high	97.4	Very high	41 Å²	41	53.9 Å²	53.9	18%	0.18	27%	0.268	C	S	.	.	H	α-helix	trans	-61.1	-47.5	174.8	-67.8	-27.2	0	0	0	111.8	Y551 V553 Q566 L567 Y572 G573 F574	Y551-F570 HydrophobicContact CD1-CB 4.08Å; Y551-F570 AromaticContact CD1-CD1 3.95Å; Y551-F570 HydrophobicContact CD1-CD1 3.95Å; Y551-F570 HydrophobicContact CD1-CD2 4.37Å; Y551-F570 HydrophobicContact CD1-CE1 4.45Å; Y551-F570 AromaticContact CD1-CG 3.9Å; Y551-F570 HydrophobicContact CD1-CG 3.9Å; Y551-F570 HydrophobicContact CG-CG 4.47Å; V553-F570 HydrophobicContact CG2-CD2 3.97Å; V553-F570 HydrophobicContact CG2-CE2 3.99Å; Q566-F570 HydrophobicContact CG-CD2 4.4Å; Q566-F570 HydrophobicContact CG-CE1 4.46Å; Q566-F570 HydrophobicContact CG-CE2 3.86Å; Q566-F570 HydrophobicContact CG-CZ 3.9Å; Q566-F570 PolarHBondContact O-N 3.44Å; L567-F570 PolarHBondContact O-N 2.99Å; F570-Y572 PolarHBondContact O-N 3.18Å; F570-G573 PolarHBondContact O-N 3.34Å; F570-F574 WeakPolarHBondContact O-CB 3.26Å; F570-F574 PolarHBondContact O-N 2.91Å
571	L	98.8	Very high	97.4	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-62.5	-43.2	178.9	-61.6	178.9	0	0	0	111.8	L326 F342 L346 L349 L502 V504 V527 L567 T568 F574 C575	L326-L571 HydrophobicContact CD2-CD2 3.82Å; F342-L571 HydrophobicContact CD2-CD1 4.45Å; F342-L571 HydrophobicContact CE2-CD1 4.03Å; L346-L571 HydrophobicContact CD2-CD1 4.2Å; L349-L571 HydrophobicContact CD1-CB 4.29Å; L349-L571 HydrophobicContact CD2-CB 3.9Å; L349-L571 HydrophobicContact CD2-CD1 4.25Å; L502-L571 HydrophobicContact CD2-CD2 3.7Å; V504-L571 HydrophobicContact CG1-CD2 4.46Å; V504-L571 HydrophobicContact CG2-CD2 3.89Å; V527-L571 HydrophobicContact CG2-CD2 4.49Å; L567-L571 HydrophobicContact CD1-CD1 4.27Å; L567-L571 HydrophobicContact CD1-CD2 4.36Å; L567-L571 HydrophobicContact CD1-CG 4.1Å; L567-L571 HydrophobicContact CG-CD1 4.19Å; L567-L571 HydrophobicContact CG-CG 4.44Å; L567-L571 VanDerWaalsContact O-CG 3.31Å; L567-L571 WeakPolarHBondContact O-CG 3.41Å; L567-L571 PolarHBondContact O-N 3.22Å; T568-L571 PolarHBondContact O-N 3.09Å; L571-F574 PolarHBondContact O-N 3.26Å; L571-C575 PolarHBondContact O-N 3.34Å; L571-C575 PolarHBondContact O-SG 3.37Å
572	Y	98.6	Very high	97.3	Very high	34 Å²	34	52.1 Å²	52.1	13%	0.133	25%	0.248	C	C	.	.	H	α-helix	trans	-66.9	-40.9	178.3	-177.5	-117.4	0	0	0	111.9	L349 L352 L353 H356 T568 Q569 F570 C575 K576	L349-Y572 HydrophobicContact CD1-CD2 4.17Å; L352-Y572 HydrophobicContact CB-CD2 4.11Å; L352-Y572 HydrophobicContact CB-CE2 4.17Å; L352-Y572 HydrophobicContact CD1-CD1 4.45Å; L352-Y572 HydrophobicContact CD1-CD2 4.44Å; L352-Y572 HydrophobicContact CD1-CG 4.18Å; L353-Y572 HydrophobicContact CD2-CD2 4.09Å; L353-Y572 HydrophobicContact CD2-CE2 4.11Å; H356-Y572 AromaticContact CD2-CZ 3.88Å; H356-Y572 PolarHBondContact CD2-OH 3.28Å; H356-Y572 VanDerWaalsContact CG-OH 3.31Å; T568-Y572 VanDerWaalsContact O-CB 3.25Å; T568-Y572 WeakPolarHBondContact O-CB 3.25Å; T568-Y572 PolarHBondContact O-N 2.93Å; Q569-Y572 PolarHBondContact O-N 3.14Å; F570-Y572 PolarHBondContact O-N 3.18Å; Y572-C575 PolarHBondContact O-N 2.97Å; Y572-K576 HydrophobicContact CE1-CD 4.37Å; Y572-K576 PolarHBondContact O-N 3.36Å; Y572-K576 WeakPolarHBondContact OH-CE 3.3Å; Y572-K576 PolarHBondContact OH-NZ 2.9Å
573	G	98.1	Very high	97	Very high	37 Å²	37	51.3 Å²	51.3	38%	0.381	24%	0.243	S	C	.	.	H	α-helix	trans	-60.6	-42.9	173.1	0	0	0	0	0	112.5	Q569 F570 C575 K576	Q569-G573 PolarHBondContact O-N 3.42Å; F570-G573 PolarHBondContact O-N 3.34Å; G573-C575 VanDerWaalsContact C-N 3.35Å; G573-C575 PolarHBondContact O-N 3.17Å; G573-K576 PolarHBondContact O-N 3.1Å
574	F	98.3	Very high	96.7	Very high	3 Å²	3	52.6 Å²	52.6	1%	0.013	25%	0.249	C	C	.	.	H	α-helix	trans	-62.5	-40.1	175	-172.7	-94.6	0	0	0	112.3	L324 H501 L502 P525 Y551 F570 L571 K576 Q577 R582	L324-F574 HydrophobicContact CD1-CD1 4.06Å; L324-F574 HydrophobicContact CD1-CE1 4.11Å; H501-F574 HydrophobicContact CB-CE1 4.03Å; H501-F574 HydrophobicContact CB-CZ 4.12Å; H501-F574 WeakPolarHBondContact O-CZ 3.36Å; L502-F574 HydrophobicContact CB-CD1 4.41Å; L502-F574 HydrophobicContact CB-CE1 3.96Å; L502-F574 HydrophobicContact CB-CE2 4.48Å; L502-F574 HydrophobicContact CB-CZ 4Å; L502-F574 HydrophobicContact CD1-CE2 4.43Å; L502-F574 HydrophobicContact CD2-CD1 4.15Å; L502-F574 HydrophobicContact CD2-CG 4.14Å; P525-F574 HydrophobicContact CB-CE2 4.46Å; P525-F574 HydrophobicContact CG-CE2 4.46Å; Y551-F574 HydrophobicContact CE2-CD2 4.48Å; F570-F574 WeakPolarHBondContact O-CB 3.26Å; F570-F574 PolarHBondContact O-N 2.91Å; L571-F574 PolarHBondContact O-N 3.26Å; F574-K576 PolarHBondContact O-N 3.44Å; F574-Q577 WeakPolarHBondContact O-CB 3.48Å; F574-Q577 PolarHBondContact O-N 2.94Å; F574-Q577 VanDerWaalsContact O-N 3.12Å; F574-R582 HydrophobicContact CZ-CG 4.33Å
575	C	98	Very high	96.5	Very high	6 Å²	6	53 Å²	53	4%	0.041	25%	0.25	C	S	.	.	H	α-helix	trans	-62.6	-24.3	176.7	-67.3	0	0	0	0	113.6	L324 L353 V360 L571 Y572 G573 Q577	L324-C575 HydrophobicContact CD1-CB 4.42Å; L353-C575 HydrophobicContact CD2-CB 4.25Å; V360-C575 HydrophobicContact CG1-CB 4.36Å; L571-C575 PolarHBondContact O-N 3.34Å; L571-C575 PolarHBondContact O-SG 3.37Å; Y572-C575 PolarHBondContact O-N 2.97Å; G573-C575 VanDerWaalsContact C-N 3.35Å; G573-C575 PolarHBondContact O-N 3.17Å; C575-Q577 VanDerWaalsContact C-N 3.33Å
576	K	96.8	Very high	96.3	Very high	139 Å²	139	50.9 Å²	50.9	60%	0.604	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-11.7	177.5	-70.6	-176.9	176.2	-178.3	0	114	Y572 G573 F574	Y572-K576 HydrophobicContact CE1-CD 4.37Å; Y572-K576 PolarHBondContact O-N 3.36Å; Y572-K576 WeakPolarHBondContact OH-CE 3.3Å; Y572-K576 PolarHBondContact OH-NZ 2.9Å; G573-K576 PolarHBondContact O-N 3.1Å; F574-K576 PolarHBondContact O-N 3.44Å
577	Q	96.6	Very high	95.9	Very high	37 Å²	37	50 Å²	50	17%	0.173	23%	0.234	C	C	.	.			trans	-67.6	146.4	-177.7	-66.5	-180	-10	0	0	111.6	F574 C575 Q581 R582	F574-Q577 WeakPolarHBondContact O-CB 3.48Å; F574-Q577 PolarHBondContact O-N 2.94Å; F574-Q577 VanDerWaalsContact O-N 3.12Å; C575-Q577 VanDerWaalsContact C-N 3.33Å; Q577-Q581 VanDerWaalsContact CA-OE1 3.3Å; Q577-Q581 HydrophobicContact CB-CB 4.12Å; Q577-R582 HydrophobicContact CB-CG 4.02Å; Q577-R582 PolarHBondContact O-NH1 3.43Å; Q577-R582 VanDerWaalsContact OE1-CG 3.32Å
578	S	96.3	Very high	95.5	Very high	57 Å²	57	51.3 Å²	51.3	40%	0.399	24%	0.239	S	C	.	.			trans	-76.5	166.9	168.3	77.3	0	0	0	0	111.5	R580 Q581 R582	S578-R580 VanDerWaalsContact C-N 3.28Å; S578-R580 PolarHBondContact O-N 3.4Å; S578-R580 PolarHBondContact OG-N 3.14Å; S578-Q581 PolarHBondContact O-N 3.09Å; S578-Q581 WeakPolarHBondContact OG-CG 3.46Å; S578-Q581 PolarHBondContact OG-N 2.84Å; S578-R582 PolarHBondContact O-N 2.99Å
579	R	94.2	Very high	95.2	Very high	162 Å²	162	51.1 Å²	51.1	61%	0.611	24%	0.238	S	C	*	.	H	α-helix	trans	-58.1	-40.7	173.5	-177.3	176.7	177.5	164	-1	111.8	E321 R582 I583	E321-R579 IonicContact OE2-NH1 3.66Å; R579-R582 PolarHBondContact O-N 3.19Å; R579-I583 HydrophobicContact CG-CD1 4.09Å; R579-I583 WeakPolarHBondContact O-CG1 3.47Å; R579-I583 PolarHBondContact O-N 2.78Å
580	R	92.7	Very high	94.8	Very high	141 Å²	141	46.7 Å²	46.7	53%	0.532	22%	0.217	S	C	.	.	H	α-helix	trans	-63.1	-46.1	177.5	-175.6	175.2	178	173.9	-1.7	111.1	S578 R582 I583 I584	S578-R580 VanDerWaalsContact C-N 3.28Å; S578-R580 PolarHBondContact O-N 3.4Å; S578-R580 PolarHBondContact OG-N 3.14Å; R580-R582 VanDerWaalsContact C-N 3.35Å; R580-R582 PolarHBondContact O-N 3.35Å; R580-I583 PolarHBondContact O-N 2.94Å; R580-I584 HydrophobicContact CG-CD1 4.09Å; R580-I584 WeakPolarHBondContact O-CG1 3.39Å; R580-I584 PolarHBondContact O-N 2.79Å
581	Q	94.1	Very high	94.3	Very high	106 Å²	106	45.9 Å²	45.9	50%	0.495	21%	0.213	S	C	.	.	H	α-helix	trans	-61.3	-41.5	177.3	-74.1	169.8	-27.6	0	0	112.2	Q577 S578 I584 Q585	Q577-Q581 VanDerWaalsContact CA-OE1 3.3Å; Q577-Q581 HydrophobicContact CB-CB 4.12Å; S578-Q581 PolarHBondContact O-N 3.09Å; S578-Q581 WeakPolarHBondContact OG-CG 3.46Å; S578-Q581 PolarHBondContact OG-N 2.84Å; Q581-I584 PolarHBondContact O-N 3.32Å; Q581-Q585 WeakPolarHBondContact O-CB 3.24Å; Q581-Q585 PolarHBondContact O-N 2.84Å
582	R	95.5	Very high	93.9	Very high	28 Å²	28	45.8 Å²	45.8	11%	0.106	21%	0.213	C	C	.	.	H	α-helix	trans	-63.4	-40.7	175	-74.9	-168.5	-64.5	-82.7	1.9	113	F574 Q577 S578 R579 R580 Q585 R586	F574-R582 HydrophobicContact CZ-CG 4.33Å; Q577-R582 HydrophobicContact CB-CG 4.02Å; Q577-R582 PolarHBondContact O-NH1 3.43Å; Q577-R582 VanDerWaalsContact OE1-CG 3.32Å; S578-R582 PolarHBondContact O-N 2.99Å; R579-R582 PolarHBondContact O-N 3.19Å; R580-R582 VanDerWaalsContact C-N 3.35Å; R580-R582 PolarHBondContact O-N 3.35Å; R582-Q585 PolarHBondContact O-N 2.81Å; R582-R586 WeakPolarHBondContact O-CG 3.41Å; R582-R586 PolarHBondContact O-N 3.26Å
583	I	92.6	Very high	93.4	Very high	58 Å²	58	44.3 Å²	44.3	30%	0.297	21%	0.207	S	C	.	.	H	α-helix	trans	-61.7	-49.4	176.3	-69.5	161.3	0	0	0	110	R579 R580 Q585 R586 N587	R579-I583 HydrophobicContact CG-CD1 4.09Å; R579-I583 WeakPolarHBondContact O-CG1 3.47Å; R579-I583 PolarHBondContact O-N 2.78Å; R580-I583 PolarHBondContact O-N 2.94Å; I583-Q585 VanDerWaalsContact C-N 3.32Å; I583-Q585 PolarHBondContact O-N 3.26Å; I583-R586 VanDerWaalsContact CG1-NH2 3.28Å; I583-R586 PolarHBondContact O-N 3.4Å; I583-N587 PolarHBondContact O-N 3.01Å; I583-N587 PolarHBondContact O-OD1 3.33Å
584	I	91.2	Very high	92.8	Very high	29 Å²	29	44.4 Å²	44.4	15%	0.149	20%	0.199	C	C	.	.	H	α-helix	trans	-57.9	-47	177.7	-67.3	166.8	0	0	0	110.3	R580 Q581 R586 N587 R588 Y668	R580-I584 HydrophobicContact CG-CD1 4.09Å; R580-I584 WeakPolarHBondContact O-CG1 3.39Å; R580-I584 PolarHBondContact O-N 2.79Å; Q581-I584 PolarHBondContact O-N 3.32Å; I584-R586 PolarHBondContact O-N 2.88Å; I584-N587 PolarHBondContact O-N 2.85Å; I584-R588 HydrophobicContact CG2-CG 4.33Å; I584-R588 WeakPolarHBondContact O-CG 3.33Å; I584-R588 PolarHBondContact O-N 2.81Å; I584-Y668 HydrophobicContact CD1-CD2 4.34Å; I584-Y668 HydrophobicContact CD1-CE2 4.5Å; I584-Y668 HydrophobicContact CG1-CD2 4.38Å; I584-Y668 HydrophobicContact CG1-CE1 4.48Å; I584-Y668 HydrophobicContact CG1-CE2 4.17Å; I584-Y668 HydrophobicContact CG2-CE2 3.93Å
585	Q	93.6	Very high	92.3	Very high	13 Å²	13	44.3 Å²	44.3	6%	0.061	20%	0.199	C	C	.	.	H	α-helix	trans	-61	-43	179.2	-169.9	174.7	51.1	0	0	112	P525 Y551 Q581 R582 I583 N587 R588 T589	P525-Q585 HydrophobicContact CG-CG 4.09Å; Y551-Q585 PolarHBondContact OH-NE2 3.03Å; Q581-Q585 WeakPolarHBondContact O-CB 3.24Å; Q581-Q585 PolarHBondContact O-N 2.84Å; R582-Q585 PolarHBondContact O-N 2.81Å; I583-Q585 VanDerWaalsContact C-N 3.32Å; I583-Q585 PolarHBondContact O-N 3.26Å; Q585-N587 VanDerWaalsContact C-N 3.34Å; Q585-N587 PolarHBondContact O-N 3.34Å; Q585-R588 CarbonylContact O-C 3.57Å; Q585-R588 WeakPolarHBondContact O-CA 3.32Å; Q585-R588 WeakPolarHBondContact O-CB 3.27Å; Q585-R588 PolarHBondContact O-N 3.38Å; Q585-R588 VanDerWaalsContact O-N 3.09Å; Q585-T589 PolarHBondContact O-N 3.33Å; Q585-T589 PolarHBondContact O-OG1 2.83Å
586	R	94	Very high	92	Very high	13 Å²	13	44.1 Å²	44.1	5%	0.049	20%	0.197	C	C	.	.	H	α-helix	trans	-59.4	-42.4	174.9	-76.7	-161.7	-62.5	-93	1.7	112.8	F293 Q294 H297 G523 P525 R582 I583 I584 R588 T589 E590	F293-R586 HydrophobicContact CE2-CB 4.21Å; Q294-R586 VanDerWaalsContact OE1-CZ 3.29Å; H297-R586 VanDerWaalsContact CD2-CZ 3.44Å; H297-R586 PolarHBondContact CD2-NH2 2.87Å; H297-R586 PolarHBondContact NE2-NH1 2.82Å; H297-R586 VanDerWaalsContact NE2-NH1 3.17Å; G523-R586 WeakPolarHBondContact O-CA 3.3Å; G523-R586 VanDerWaalsContact O-CB 3.24Å; G523-R586 WeakPolarHBondContact O-CB 3.33Å; G523-R586 WeakPolarHBondContact O-CG 3.43Å; P525-R586 HydrophobicContact CG-CG 4.46Å; R582-R586 WeakPolarHBondContact O-CG 3.41Å; R582-R586 PolarHBondContact O-N 3.26Å; I583-R586 VanDerWaalsContact CG1-NH2 3.28Å; I583-R586 PolarHBondContact O-N 3.4Å; I584-R586 PolarHBondContact O-N 2.88Å; R586-R588 VanDerWaalsContact C-N 3.29Å; R586-R588 PolarHBondContact O-N 2.96Å; R586-T589 PolarHBondContact O-N 2.92Å; R586-E590 PolarHBondContact O-N 3.44Å
587	N	90.3	Very high	91.7	Very high	8 Å²	8	38.1 Å²	38.1	4%	0.043	17%	0.172	C	C	.	.	H	α-helix	trans	-62.9	-37.8	174.3	-66.7	6.3	0	0	0	111.3	F293 Q294 I583 I584 Q585 R591 E670	F293-N587 VanDerWaalsContact CZ-OD1 3.25Å; F293-N587 WeakPolarHBondContact CZ-OD1 3.3Å; Q294-N587 PolarHBondContact NE2-OD1 3.01Å; I583-N587 PolarHBondContact O-N 3.01Å; I583-N587 PolarHBondContact O-OD1 3.33Å; I584-N587 PolarHBondContact O-N 2.85Å; Q585-N587 VanDerWaalsContact C-N 3.34Å; Q585-N587 PolarHBondContact O-N 3.34Å; N587-R591 WeakPolarHBondContact O-CG 3.48Å; N587-R591 PolarHBondContact O-N 3.32Å; N587-R591 PolarHBondContact O-NE 2.91Å; N587-E670 WeakPolarHBondContact CB-OE1 3.44Å; N587-E670 PolarHBondContact ND2-OE1 3.27Å; N587-E670 PolarHBondContact ND2-OE2 3.47Å
588	R	90.4	Very high	91.4	Very high	29 Å²	29	36.3 Å²	36.3	11%	0.109	16%	0.163	C	C	.	.	H	α-helix	trans	-62.6	-48.5	172.4	-49.4	-133.2	179.7	105.7	-4.2	110.9	A547 Y548 I584 Q585 R586 E590 R591 P639 S641 E673	A547-R588 PolarHBondContact O-NH1 3.48Å; Y548-R588 HydrophobicContact CD1-CB 3.78Å; Y548-R588 WeakPolarHBondContact CD1-O 3.39Å; Y548-R588 HydrophobicContact CE1-CB 4.33Å; Y548-R588 HydrophobicContact CG-CB 4.45Å; I584-R588 HydrophobicContact CG2-CG 4.33Å; I584-R588 WeakPolarHBondContact O-CG 3.33Å; I584-R588 PolarHBondContact O-N 2.81Å; Q585-R588 CarbonylContact O-C 3.57Å; Q585-R588 WeakPolarHBondContact O-CA 3.32Å; Q585-R588 WeakPolarHBondContact O-CB 3.27Å; Q585-R588 PolarHBondContact O-N 3.38Å; Q585-R588 VanDerWaalsContact O-N 3.09Å; R586-R588 VanDerWaalsContact C-N 3.29Å; R586-R588 PolarHBondContact O-N 2.96Å; R588-E590 VanDerWaalsContact C-N 3.35Å; R588-E590 PolarHBondContact O-N 2.83Å; R588-R591 VanDerWaalsContact CD-NH2 3.25Å; R588-R591 WeakPolarHBondContact O-CB 3.32Å; R588-R591 PolarHBondContact O-N 2.88Å; R588-P639 VanDerWaalsContact CD-CG 3.45Å; R588-S641 PolarHBondContact NH2-OG 2.81Å; R588-E673 IonicContact NE-OE1 3.1Å; R588-E673 PolarHBondContact NE-OE1 3.36Å; R588-E673 VanDerWaalsContact NE-OE1 3.16Å
589	T	93.4	Very high	91	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-58.6	-45.2	-179.7	-54.3	0	0	0	0	112.2	T520 Y548 I550 Q585 R586 R591 L592	T520-T589 HydrophobicContact CG2-CG2 4.07Å; Y548-T589 WeakPolarHBondContact O-CA 3.39Å; Y548-T589 WeakPolarHBondContact O-CB 3.29Å; Y548-T589 PolarHBondContact O-N 3.19Å; Y548-T589 PolarHBondContact O-OG1 2.81Å; I550-T589 HydrophobicContact CD1-CG2 4.4Å; Q585-T589 PolarHBondContact O-N 3.33Å; Q585-T589 PolarHBondContact O-OG1 2.83Å; R586-T589 PolarHBondContact O-N 2.92Å; T589-R591 PolarHBondContact O-N 3.34Å; T589-L592 WeakPolarHBondContact O-CB 3.39Å; T589-L592 PolarHBondContact O-N 3.42Å; T589-L592 VanDerWaalsContact O-N 3.07Å
590	E	90.1	Very high	90.6	Very high	39 Å²	39	33 Å²	33	18%	0.182	14%	0.142	C	C	.	.	H	α-helix	trans	-60.3	-35.1	-179.9	-169	-80.9	161.8	0	0	112.2	F293 R586 R588 L592 S593	F293-E590 HydrophobicContact CD1-CG 4.06Å; F293-E590 HydrophobicContact CE1-CB 4.15Å; F293-E590 HydrophobicContact CE1-CG 3.94Å; F293-E590 HydrophobicContact CE2-CB 4.36Å; F293-E590 HydrophobicContact CZ-CB 3.96Å; F293-E590 HydrophobicContact CZ-CG 4.22Å; R586-E590 PolarHBondContact O-N 3.44Å; R588-E590 VanDerWaalsContact C-N 3.35Å; R588-E590 PolarHBondContact O-N 2.83Å; E590-L592 PolarHBondContact O-N 2.98Å; E590-L592 VanDerWaalsContact O-N 3.17Å; E590-S593 WeakPolarHBondContact O-CB 3.46Å; E590-S593 PolarHBondContact O-N 3.32Å; E590-S593 PolarHBondContact O-OG 3.32Å
591	R	87.1	Confident	90.5	Very high	23 Å²	23	26.3 Å²	26.3	9%	0.087	12%	0.117	C	C	.	.	H	α-helix	trans	-63.3	-21.4	176.9	-71.3	-179	-72.4	158.3	-7	114.3	N587 R588 T589 S593 E673 D677	N587-R591 WeakPolarHBondContact O-CG 3.48Å; N587-R591 PolarHBondContact O-N 3.32Å; N587-R591 PolarHBondContact O-NE 2.91Å; R588-R591 VanDerWaalsContact CD-NH2 3.25Å; R588-R591 WeakPolarHBondContact O-CB 3.32Å; R588-R591 PolarHBondContact O-N 2.88Å; T589-R591 PolarHBondContact O-N 3.34Å; R591-S593 VanDerWaalsContact C-N 3.26Å; R591-E673 IonicContact CZ-OE1 2.67Å; R591-E673 IonicContact NH1-OE1 3.03Å; R591-E673 IonicContact NH2-OE1 2.8Å; R591-E673 PolarHBondContact NH2-OE1 3.46Å; R591-D677 IonicContact CZ-OD2 3.25Å; R591-D677 IonicContact NH1-OD2 2.76Å; R591-D677 PolarHBondContact NH1-OD2 3.5Å
592	L	89.8	Confident	90.3	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-11.1	174	-63.2	-176.1	0	0	0	112.9	T520 M538 V542 Y548 I550 T589 E590 D594 L595 Y636	T520-L592 HydrophobicContact CG2-CB 3.77Å; M538-L592 HydrophobicContact SD-CD1 4.36Å; V542-L592 HydrophobicContact CG1-CD2 4.44Å; V542-L592 HydrophobicContact CG2-CD1 4.38Å; V542-L592 HydrophobicContact CG2-CD2 4Å; Y548-L592 HydrophobicContact CD1-CD1 4.39Å; Y548-L592 HydrophobicContact CD1-CD2 3.9Å; Y548-L592 HydrophobicContact CD1-CG 3.96Å; Y548-L592 HydrophobicContact CE1-CD2 4.39Å; Y548-L592 HydrophobicContact CG-CD1 4.06Å; Y548-L592 HydrophobicContact CG-CD2 4.05Å; Y548-L592 HydrophobicContact CG-CG 4.12Å; I550-L592 HydrophobicContact CD1-CD1 4.34Å; I550-L592 HydrophobicContact CG1-CD1 3.67Å; T589-L592 WeakPolarHBondContact O-CB 3.39Å; T589-L592 PolarHBondContact O-N 3.42Å; T589-L592 VanDerWaalsContact O-N 3.07Å; E590-L592 PolarHBondContact O-N 2.98Å; E590-L592 VanDerWaalsContact O-N 3.17Å; L592-D594 PolarHBondContact O-N 2.91Å; L592-L595 HydrophobicContact CD2-CD1 4.03Å; L592-L595 WeakPolarHBondContact O-CB 3.27Å; L592-L595 PolarHBondContact O-N 2.93Å; L592-Y636 HydrophobicContact CD2-CD1 4.01Å; L592-Y636 HydrophobicContact CD2-CD2 4.26Å; L592-Y636 HydrophobicContact CD2-CE1 4.24Å; L592-Y636 HydrophobicContact CD2-CE2 4.44Å; L592-Y636 HydrophobicContact CD2-CG 4.02Å
593	S	87.9	Confident	89.9	Confident	3 Å²	3	22 Å²	22	2%	0.021	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-56.6	-34.9	-179.1	64.4	0	0	0	0	112.8	E590 R591 L595 L596 D597	E590-S593 WeakPolarHBondContact O-CB 3.46Å; E590-S593 PolarHBondContact O-N 3.32Å; E590-S593 PolarHBondContact O-OG 3.32Å; R591-S593 VanDerWaalsContact C-N 3.26Å; S593-L595 PolarHBondContact O-N 2.99Å; S593-L596 WeakPolarHBondContact O-CB 3.25Å; S593-L596 PolarHBondContact O-N 3.06Å; S593-D597 PolarHBondContact O-N 2.78Å
594	D	85.5	Confident	89.8	Confident	39 Å²	39	21 Å²	21	21%	0.209	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-60.8	-28.4	177.7	-79.6	-20.1	0	0	0	113.4	K286 L592 L596	K286-D594 WeakPolarHBondContact CE-OD1 3.38Å; K286-D594 VanDerWaalsContact NZ-CG 3.29Å; K286-D594 IonicContact NZ-OD1 3.78Å; K286-D594 PolarHBondContact NZ-OD1 2.83Å; K286-D594 IonicContact NZ-OD2 3.19Å; K286-D594 PolarHBondContact NZ-OD2 3.46Å; K286-D594 VanDerWaalsContact NZ-OD2 3.1Å; L592-D594 PolarHBondContact O-N 2.91Å; D594-L596 PolarHBondContact O-N 2.84Å
595	L	88.5	Confident	89.9	Confident	1 Å²	1	19.7 Å²	19.7	1%	0.005	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-72.7	-20.3	175.4	-62.3	179.1	0	0	0	112.8	L15 V542 L592 S593 Y600 F634 Y636	L15-L595 HydrophobicContact CD1-CD2 4.46Å; L15-L595 HydrophobicContact CD2-CD2 4Å; V542-L595 HydrophobicContact CG2-CD1 3.99Å; L592-L595 HydrophobicContact CD2-CD1 4.03Å; L592-L595 WeakPolarHBondContact O-CB 3.27Å; L592-L595 PolarHBondContact O-N 2.93Å; S593-L595 PolarHBondContact O-N 2.99Å; L595-Y600 WeakPolarHBondContact O-CD1 3.41Å; L595-F634 HydrophobicContact CD2-CE1 3.61Å; L595-F634 HydrophobicContact CD2-CZ 3.91Å; L595-Y636 HydrophobicContact CD1-CD2 3.91Å; L595-Y636 HydrophobicContact CD1-CG 4.36Å; L595-Y636 HydrophobicContact CD2-CD2 4.28Å; L595-Y636 HydrophobicContact CG-CD2 4.26Å
596	L	91.4	Very high	89.8	Confident	1 Å²	1	21.4 Å²	21.4	1%	0.005	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-100.4	-2.4	-177.3	-61.9	175.1	0	0	0	112.6	G281 L282 A517 T520 V521 F534 F537 M538 S593 D594	G281-L596 CarbonylContact C-O 3.53Å; G281-L596 WeakPolarHBondContact CA-O 3.28Å; L282-L596 PolarHBondContact N-O 3.36Å; A517-L596 HydrophobicContact CB-CD1 4.14Å; T520-L596 HydrophobicContact CG2-CD1 3.89Å; V521-L596 HydrophobicContact CG2-CB 4.42Å; V521-L596 HydrophobicContact CG2-CD1 4.31Å; F534-L596 HydrophobicContact CD2-CD2 4.37Å; F534-L596 HydrophobicContact CE2-CD1 3.93Å; F534-L596 HydrophobicContact CE2-CD2 4.14Å; F537-L596 HydrophobicContact CD1-CD2 4.28Å; F537-L596 HydrophobicContact CE1-CD2 3.98Å; M538-L596 HydrophobicContact CE-CD1 3.76Å; M538-L596 HydrophobicContact CE-CD2 3.83Å; M538-L596 HydrophobicContact CE-CG 3.91Å; S593-L596 WeakPolarHBondContact O-CB 3.25Å; S593-L596 PolarHBondContact O-N 3.06Å; D594-L596 PolarHBondContact O-N 2.84Å
597	D	90.9	Very high	89.6	Confident	13 Å²	13	21.7 Å²	21.7	7%	0.07	9%	0.094	C	C	.	.	B	Isolated β-bridge	trans	-75.9	141.8	-179.4	-169.3	-87.2	0	0	0	111.7	L282 V284 S593 R599 Y600 L601	L282-D597 WeakPolarHBondContact O-CA 3.45Å; V284-D597 HydrophobicContact CB-CB 4.34Å; V284-D597 VanDerWaalsContact CB-OD2 3.3Å; V284-D597 WeakPolarHBondContact CB-OD2 3.33Å; V284-D597 HydrophobicContact CG2-CB 3.86Å; V284-D597 PolarHBondContact N-OD2 2.99Å; S593-D597 PolarHBondContact O-N 2.78Å; D597-R599 PolarHBondContact O-N 3.08Å; D597-R599 VanDerWaalsContact O-N 3.13Å; D597-R599 WeakPolarHBondContact OD1-CB 3.38Å; D597-R599 WeakPolarHBondContact OD1-CD 3.28Å; D597-R599 WeakPolarHBondContact OD1-CG 3.4Å; D597-R599 PolarHBondContact OD1-N 3.22Å; D597-Y600 PolarHBondContact O-N 3.06Å; D597-L601 PolarHBondContact O-N 3.25Å
598	W	90.9	Very high	89.7	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-58.7	-23	176.9	-80.1	121.2	0	0	0	114	V47 T50 K51 T54 G281 L282 Y600 L601 G602 Y605	V47-W598 HydrophobicContact CG1-CH2 3.97Å; V47-W598 HydrophobicContact CG1-CZ2 3.95Å; T50-W598 PolarHBondContact OG1-NE1 2.91Å; K51-W598 HydrophobicContact CB-CD2 3.93Å; K51-W598 HydrophobicContact CB-CE3 4.32Å; K51-W598 HydrophobicContact CB-CG 4.46Å; K51-W598 HydrophobicContact CB-CH2 4.16Å; K51-W598 HydrophobicContact CB-CZ2 3.76Å; K51-W598 HydrophobicContact CB-CZ3 4.43Å; K51-W598 HydrophobicContact CD-CE3 4.28Å; K51-W598 HydrophobicContact CD-CH2 3.95Å; K51-W598 HydrophobicContact CD-CZ2 4.42Å; K51-W598 HydrophobicContact CD-CZ3 3.89Å; K51-W598 HydrophobicContact CG-CD2 3.98Å; K51-W598 HydrophobicContact CG-CE3 3.91Å; K51-W598 HydrophobicContact CG-CH2 4.18Å; K51-W598 HydrophobicContact CG-CZ2 4.25Å; K51-W598 HydrophobicContact CG-CZ3 4.02Å; T54-W598 HydrophobicContact CG2-CB 4.41Å; T54-W598 VanDerWaalsContact OG1-CB 3.31Å; T54-W598 WeakPolarHBondContact OG1-CB 3.27Å; G281-W598 VanDerWaalsContact O-CE2 3.22Å; G281-W598 WeakPolarHBondContact O-CZ2 3.39Å; G281-W598 PolarHBondContact O-NE1 3.47Å; G281-W598 VanDerWaalsContact O-NE1 3.07Å; L282-W598 PolarHBondContact O-N 2.81Å; W598-Y600 PolarHBondContact O-N 3.34Å; W598-L601 HydrophobicContact CE3-CB 4.19Å; W598-L601 HydrophobicContact CZ3-CB 4.44Å; W598-G602 VanDerWaalsContact O-CA 3.23Å; W598-G602 WeakPolarHBondContact O-CA 3.47Å; W598-G602 PolarHBondContact O-N 3.36Å; W598-Y605 HydrophobicContact CH2-CE2 4.04Å; W598-Y605 HydrophobicContact CZ3-CD2 4.15Å; W598-Y605 AromaticContact CZ3-CE2 3.75Å; W598-Y605 HydrophobicContact CZ3-CE2 3.75Å
599	R	86.9	Confident	89.9	Confident	131 Å²	131	20 Å²	20	49%	0.494	9%	0.087	S	C	.	.	H	α-helix	trans	-63.3	-28	172.3	-65.3	168.4	-173.2	-169	3.3	112.9	L12 D597	L12-R599 HydrophobicContact CD1-CB 3.97Å; D597-R599 PolarHBondContact O-N 3.08Å; D597-R599 VanDerWaalsContact O-N 3.13Å; D597-R599 WeakPolarHBondContact OD1-CB 3.38Å; D597-R599 WeakPolarHBondContact OD1-CD 3.28Å; D597-R599 WeakPolarHBondContact OD1-CG 3.4Å; D597-R599 PolarHBondContact OD1-N 3.22Å
600	Y	85.4	Confident	89.8	Confident	18 Å²	18	21.1 Å²	21.1	7%	0.071	9%	0.092	C	C	.	.	H	α-helix	trans	-91.4	-52.8	173.2	-178.1	-107.6	0	0	0	110.6	L15 L595 D597 W598 G602 R603	L15-Y600 HydrophobicContact CD1-CD2 3.8Å; L15-Y600 HydrophobicContact CD1-CE2 4.27Å; L15-Y600 HydrophobicContact CD1-CG 4.27Å; L595-Y600 WeakPolarHBondContact O-CD1 3.41Å; D597-Y600 PolarHBondContact O-N 3.06Å; W598-Y600 PolarHBondContact O-N 3.34Å; Y600-G602 VanDerWaalsContact C-N 3.34Å; Y600-G602 PolarHBondContact O-N 2.78Å; Y600-R603 WeakPolarHBondContact O-CB 3.42Å; Y600-R603 VanDerWaalsContact O-CG 3.28Å; Y600-R603 WeakPolarHBondContact O-CG 3.34Å; Y600-R603 PolarHBondContact O-N 3.27Å
601	L	90.7	Very high	89.9	Confident	0 Å²	0	20 Å²	20	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-74.2	-21.1	-173.5	-64.4	-179.3	0	0	0	114.2	P279 F537 D597 W598 R603 Y604	P279-L601 HydrophobicContact CB-CD1 4.32Å; P279-L601 HydrophobicContact CB-CD2 4.06Å; P279-L601 HydrophobicContact CG-CD2 4.31Å; F537-L601 HydrophobicContact CE2-CD2 3.84Å; F537-L601 HydrophobicContact CZ-CD2 3.77Å; D597-L601 PolarHBondContact O-N 3.25Å; W598-L601 HydrophobicContact CE3-CB 4.19Å; W598-L601 HydrophobicContact CZ3-CB 4.44Å; L601-R603 PolarHBondContact O-N 3.42Å; L601-Y604 HydrophobicContact CD2-CD2 4.13Å; L601-Y604 HydrophobicContact CD2-CE2 3.78Å; L601-Y604 WeakPolarHBondContact O-CD2 3.44Å; L601-Y604 PolarHBondContact O-N 3.32Å
602	G	89.9	Confident	90.3	Very high	7 Å²	7	18.9 Å²	18.9	7%	0.072	8%	0.083	C	C	.	.	H	α-helix	trans	-62	-21.8	173.9	0	0	0	0	0	113.2	W598 Y600 Y604 Y605 Q606	W598-G602 VanDerWaalsContact O-CA 3.23Å; W598-G602 WeakPolarHBondContact O-CA 3.47Å; W598-G602 PolarHBondContact O-N 3.36Å; Y600-G602 VanDerWaalsContact C-N 3.34Å; Y600-G602 PolarHBondContact O-N 2.78Å; G602-Y604 VanDerWaalsContact C-N 3.27Å; G602-Y604 PolarHBondContact O-N 3.12Å; G602-Y605 WeakPolarHBondContact O-CB 3.46Å; G602-Y605 PolarHBondContact O-N 3.34Å; G602-Y605 VanDerWaalsContact O-N 3.07Å; G602-Q606 PolarHBondContact O-N 3.47Å; G602-Q606 VanDerWaalsContact O-N 3.09Å
603	R	86.9	Confident	90.5	Very high	38 Å²	38	18.9 Å²	18.9	14%	0.143	8%	0.083	C	C	.	.	H	α-helix	trans	-63.6	-30.9	177	-58.3	176.1	-168.8	-175.8	1.1	112.8	P16 W18 Y600 L601 Y605 Q606 H607	P16-R603 PolarHBondContact O-NH1 3.17Å; W18-R603 HydrophobicContact CE3-CB 3.7Å; W18-R603 HydrophobicContact CZ3-CB 3.95Å; Y600-R603 WeakPolarHBondContact O-CB 3.42Å; Y600-R603 VanDerWaalsContact O-CG 3.28Å; Y600-R603 WeakPolarHBondContact O-CG 3.34Å; Y600-R603 PolarHBondContact O-N 3.27Å; L601-R603 PolarHBondContact O-N 3.42Å; R603-Y605 VanDerWaalsContact C-N 3.3Å; R603-Y605 PolarHBondContact O-N 3.43Å; R603-Q606 WeakPolarHBondContact O-CB 3.32Å; R603-Q606 PolarHBondContact O-N 3.17Å; R603-H607 PolarHBondContact O-N 3.4Å
604	Y	90.8	Very high	90.7	Very high	35 Å²	35	19.9 Å²	19.9	14%	0.137	9%	0.09	C	C	.	.	H	α-helix	trans	-65.6	-35.3	174.4	-66.3	-85	0	0	0	111.8	V277 P279 H541 L601 G602 A608	V277-Y604 VanDerWaalsContact O-CD1 3.24Å; V277-Y604 WeakPolarHBondContact O-CD1 3.43Å; P279-Y604 HydrophobicContact CG-CD2 4.37Å; P279-Y604 HydrophobicContact CG-CE2 4.31Å; H541-Y604 PolarHBondContact NE2-OH 3.22Å; L601-Y604 HydrophobicContact CD2-CD2 4.13Å; L601-Y604 HydrophobicContact CD2-CE2 3.78Å; L601-Y604 WeakPolarHBondContact O-CD2 3.44Å; L601-Y604 PolarHBondContact O-N 3.32Å; G602-Y604 VanDerWaalsContact C-N 3.27Å; G602-Y604 PolarHBondContact O-N 3.12Å; Y604-A608 WeakPolarHBondContact O-CB 3.35Å; Y604-A608 PolarHBondContact O-N 3.16Å
605	Y	94.2	Very high	91.1	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.008	10%	0.098	C	C	.	.	H	α-helix	trans	-68.8	-42.4	173	-82	-105.6	0	0	0	111.5	K51 Q178 T278 W598 G602 R603 H607 A608 R609	K51-Y605 HydrophobicContact CD-CD1 3.97Å; K51-Y605 HydrophobicContact CD-CD2 4.13Å; K51-Y605 HydrophobicContact CD-CE1 3.74Å; K51-Y605 HydrophobicContact CD-CE2 3.92Å; K51-Y605 HydrophobicContact CD-CG 4.16Å; Q178-Y605 VanDerWaalsContact NE2-CD1 3.32Å; T278-Y605 HydrophobicContact CG2-CD2 4.18Å; T278-Y605 HydrophobicContact CG2-CE2 4.29Å; W598-Y605 HydrophobicContact CH2-CE2 4.04Å; W598-Y605 HydrophobicContact CZ3-CD2 4.15Å; W598-Y605 AromaticContact CZ3-CE2 3.75Å; W598-Y605 HydrophobicContact CZ3-CE2 3.75Å; G602-Y605 WeakPolarHBondContact O-CB 3.46Å; G602-Y605 PolarHBondContact O-N 3.34Å; G602-Y605 VanDerWaalsContact O-N 3.07Å; R603-Y605 VanDerWaalsContact C-N 3.3Å; R603-Y605 PolarHBondContact O-N 3.43Å; Y605-H607 VanDerWaalsContact C-N 3.34Å; Y605-H607 PolarHBondContact O-N 2.98Å; Y605-A608 PolarHBondContact O-N 3.19Å; Y605-R609 VanDerWaalsContact O-CG 3.24Å; Y605-R609 WeakPolarHBondContact O-CG 3.42Å; Y605-R609 PolarHBondContact O-N 3.14Å
606	Q	90.9	Very high	91.4	Very high	50 Å²	50	23.9 Å²	23.9	23%	0.234	11%	0.108	C	C	.	.	H	α-helix	trans	-56.7	-49.4	174.7	-67.9	174.6	-16	0	0	110.8	E58 G602 R603 A608 R609 H610	E58-Q606 VanDerWaalsContact CD-NE2 3.27Å; E58-Q606 WeakPolarHBondContact OE2-CG 3.48Å; E58-Q606 PolarHBondContact OE2-NE2 2.95Å; G602-Q606 PolarHBondContact O-N 3.47Å; G602-Q606 VanDerWaalsContact O-N 3.09Å; R603-Q606 WeakPolarHBondContact O-CB 3.32Å; R603-Q606 PolarHBondContact O-N 3.17Å; Q606-A608 PolarHBondContact O-N 3.03Å; Q606-R609 WeakPolarHBondContact O-CB 3.43Å; Q606-R609 PolarHBondContact O-N 3.38Å; Q606-R609 VanDerWaalsContact O-N 3.1Å; Q606-H610 PolarHBondContact O-CD2 3.34Å; Q606-H610 VanDerWaalsContact O-CD2 3.27Å; Q606-H610 PolarHBondContact O-N 2.76Å
607	H	89.2	Confident	91.4	Very high	18 Å²	18	25.4 Å²	25.4	8%	0.083	11%	0.114	C	C	.	.	H	α-helix	trans	-59.7	-44.4	177.6	-177.5	66.9	0	0	0	112.8	W18 R603 Y605 R609 H610 L611	W18-H607 HydrophobicContact CH2-CB 3.37Å; W18-H607 AromaticContact CH2-CG 3.55Å; W18-H607 AromaticContact CH2-ND1 3.96Å; W18-H607 HydrophobicContact CZ2-CB 3.82Å; W18-H607 AromaticContact CZ2-CG 3.68Å; W18-H607 AromaticContact CZ2-ND1 3.58Å; W18-H607 HydrophobicContact CZ3-CB 4.22Å; R603-H607 PolarHBondContact O-N 3.4Å; Y605-H607 VanDerWaalsContact C-N 3.34Å; Y605-H607 PolarHBondContact O-N 2.98Å; H607-R609 VanDerWaalsContact C-N 3.27Å; H607-R609 PolarHBondContact O-N 3.37Å; H607-H610 PolarHBondContact O-N 3.18Å; H607-L611 WeakPolarHBondContact O-CB 3.34Å; H607-L611 PolarHBondContact O-N 3.26Å
608	A	93.4	Very high	91.3	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-60.3	-36.7	175.5	0	0	0	0	0	112.5	I201 V254 T256 V276 Y604 Y605 Q606 T612	I201-A608 HydrophobicContact CD1-CB 4.46Å; V254-A608 HydrophobicContact CG1-CB 4.33Å; T256-A608 HydrophobicContact CG2-CB 4.01Å; V276-A608 HydrophobicContact CB-CB 4.43Å; V276-A608 HydrophobicContact CG2-CB 4.34Å; Y604-A608 WeakPolarHBondContact O-CB 3.35Å; Y604-A608 PolarHBondContact O-N 3.16Å; Y605-A608 PolarHBondContact O-N 3.19Å; Q606-A608 PolarHBondContact O-N 3.03Å; A608-T612 WeakPolarHBondContact O-CB 3.43Å; A608-T612 PolarHBondContact O-N 2.82Å
609	R	94.1	Very high	91.2	Very high	1 Å²	1	35.2 Å²	35.2	0%	0.004	17%	0.171	C	C	.	.	H	α-helix	trans	-69.6	-45	176.6	-67	166.2	-169.1	165.2	-2.2	112.3	L23 E58 W59 V176 I201 Y605 Q606 H607 L611 T612 L613	L23-R609 HydrophobicContact CD1-CB 4.07Å; E58-R609 IonicContact OE1-NH1 3.49Å; E58-R609 IonicContact OE2-NH1 2.68Å; W59-R609 VanDerWaalsContact NE1-NH1 3.17Å; V176-R609 HydrophobicContact CG1-CG 4.49Å; I201-R609 HydrophobicContact CD1-CB 4.34Å; I201-R609 HydrophobicContact CD1-CG 3.69Å; Y605-R609 VanDerWaalsContact O-CG 3.24Å; Y605-R609 WeakPolarHBondContact O-CG 3.42Å; Y605-R609 PolarHBondContact O-N 3.14Å; Q606-R609 WeakPolarHBondContact O-CB 3.43Å; Q606-R609 PolarHBondContact O-N 3.38Å; Q606-R609 VanDerWaalsContact O-N 3.1Å; H607-R609 VanDerWaalsContact C-N 3.27Å; H607-R609 PolarHBondContact O-N 3.37Å; R609-L611 PolarHBondContact O-N 2.86Å; R609-T612 PolarHBondContact O-N 2.8Å; R609-L613 WeakPolarHBondContact O-CG 3.44Å; R609-L613 PolarHBondContact O-N 2.88Å
610	H	91	Very high	91.1	Very high	24 Å²	24	35.4 Å²	35.4	11%	0.111	18%	0.175	C	C	.	.	H	α-helix	trans	-56.6	-49.7	172.1	-85.8	-84.5	0	0	0	112	V20 E21 L23 Q606 H607 T612 L613 S614 V623	V20-H610 WeakPolarHBondContact CG1-NE2 3.37Å; E21-H610 PolarHBondContact O-CE1 3.31Å; E21-H610 PolarHBondContact O-NE2 2.73Å; L23-H610 WeakPolarHBondContact CD2-CE1 3.36Å; L23-H610 WeakPolarHBondContact CD2-ND1 3.35Å; L23-H610 WeakPolarHBondContact CD2-NE2 3.43Å; L23-H610 WeakPolarHBondContact CG-NE2 3.47Å; Q606-H610 PolarHBondContact O-CD2 3.34Å; Q606-H610 VanDerWaalsContact O-CD2 3.27Å; Q606-H610 PolarHBondContact O-N 2.76Å; H607-H610 PolarHBondContact O-N 3.18Å; H610-T612 VanDerWaalsContact C-N 3.28Å; H610-T612 PolarHBondContact O-N 2.83Å; H610-L613 PolarHBondContact O-N 3.31Å; H610-S614 PolarHBondContact O-N 3.41Å; H610-V623 HydrophobicContact CB-CG2 4.07Å
611	L	91.9	Very high	91	Very high	15 Å²	15	35.9 Å²	35.9	8%	0.079	18%	0.177	C	C	.	.	H	α-helix	trans	-60.6	-39.8	-179.4	-177.3	62	0	0	0	111.6	V254 D275 V276 H607 R609 S614 R615	V254-L611 HydrophobicContact CG1-CD2 4.28Å; V254-L611 HydrophobicContact CG2-CB 3.96Å; V254-L611 HydrophobicContact CG2-CD2 3.81Å; V254-L611 HydrophobicContact CG2-CG 3.62Å; D275-L611 HydrophobicContact CB-CD2 4.04Å; V276-L611 HydrophobicContact CG2-CD2 4.06Å; H607-L611 WeakPolarHBondContact O-CB 3.34Å; H607-L611 PolarHBondContact O-N 3.26Å; R609-L611 PolarHBondContact O-N 2.86Å; L611-S614 PolarHBondContact O-N 3.03Å; L611-R615 WeakPolarHBondContact O-CG 3.4Å; L611-R615 PolarHBondContact O-N 2.85Å; L611-R615 VanDerWaalsContact O-N 3.09Å
612	T	95.4	Very high	90.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-65.3	-42.6	176.5	-94.1	0	0	0	0	112.3	V176 A199 T200 I201 V254 A608 R609 H610 R615 A616	V176-T612 HydrophobicContact CG1-CG2 4.43Å; A199-T612 VanDerWaalsContact C-CG2 3.42Å; A199-T612 HydrophobicContact CB-CG2 3.21Å; T200-T612 PolarHBondContact O-OG1 2.91Å; I201-T612 HydrophobicContact CD1-CG2 4.48Å; I201-T612 HydrophobicContact CG1-CG2 3.92Å; I201-T612 WeakPolarHBondContact CG1-OG1 3.41Å; V254-T612 WeakPolarHBondContact CB-OG1 3.44Å; V254-T612 WeakPolarHBondContact CG2-OG1 3.41Å; A608-T612 WeakPolarHBondContact O-CB 3.43Å; A608-T612 PolarHBondContact O-N 2.82Å; R609-T612 PolarHBondContact O-N 2.8Å; H610-T612 VanDerWaalsContact C-N 3.28Å; H610-T612 PolarHBondContact O-N 2.83Å; T612-R615 PolarHBondContact O-N 3.18Å; T612-A616 VanDerWaalsContact O-CB 3.3Å; T612-A616 WeakPolarHBondContact O-CB 3.31Å; T612-A616 PolarHBondContact O-N 3.18Å
613	L	94.1	Very high	89.3	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-63.3	-43.8	177.1	-76.2	166.1	0	0	0	111.7	L23 L28 H174 V176 A199 R609 H610 R615 A616 F617 F621	L23-L613 HydrophobicContact CD2-CD1 3.58Å; L28-L613 HydrophobicContact CD1-CD1 3.72Å; L28-L613 HydrophobicContact CD2-CD1 4.2Å; L28-L613 HydrophobicContact CD2-CD2 3.98Å; H174-L613 HydrophobicContact CB-CD2 4.45Å; V176-L613 HydrophobicContact CG2-CD1 4.24Å; V176-L613 HydrophobicContact CG2-CD2 3.64Å; V176-L613 HydrophobicContact CG2-CG 3.93Å; A199-L613 HydrophobicContact CB-CD2 4.2Å; R609-L613 WeakPolarHBondContact O-CG 3.44Å; R609-L613 PolarHBondContact O-N 2.88Å; H610-L613 PolarHBondContact O-N 3.31Å; L613-R615 VanDerWaalsContact C-N 3.31Å; L613-R615 PolarHBondContact O-N 2.78Å; L613-A616 PolarHBondContact O-N 3.43Å; L613-F617 HydrophobicContact CD2-CD2 4Å; L613-F617 HydrophobicContact CD2-CE2 4.09Å; L613-F617 PolarHBondContact O-N 3.14Å; L613-F621 HydrophobicContact CB-CB 4.23Å; L613-F621 HydrophobicContact CB-CD2 3.97Å; L613-F621 HydrophobicContact CB-CG 3.99Å; L613-F621 HydrophobicContact CD2-CD2 4.3Å; L613-F621 HydrophobicContact CD2-CE2 4.03Å; L613-F621 HydrophobicContact CD2-CZ 4.39Å
614	S	92.3	Very high	87.9	Confident	24 Å²	24	50.3 Å²	50.3	17%	0.168	25%	0.247	C	C	.	.	H	α-helix	trans	-61.6	-37.7	176.4	173.7	0	0	0	0	112.8	H610 L611 P618 F621	H610-S614 PolarHBondContact O-N 3.41Å; L611-S614 PolarHBondContact O-N 3.03Å; S614-P618 VanDerWaalsContact O-CA 3.29Å; S614-P618 WeakPolarHBondContact O-CA 3.47Å; S614-P618 WeakPolarHBondContact O-CB 3.42Å; S614-F621 WeakPolarHBondContact CA-O 3.38Å; S614-F621 PolarHBondContact OG-O 3.24Å
615	R	94.3	Very high	85.9	Confident	98 Å²	98	55.9 Å²	55.9	37%	0.37	28%	0.278	S	S	.	.	H	α-helix	trans	-74.5	-34.9	177.7	-71.7	175.6	-179.6	-174.1	0.8	113.1	H253 D275 L611 T612 L613	H253-R615 HydrophobicContact CB-CB 4.36Å; H253-R615 WeakPolarHBondContact O-CD 3.15Å; H253-R615 PolarHBondContact O-NH1 2.97Å; D275-R615 IonicContact OD1-CZ 3.66Å; D275-R615 VanDerWaalsContact OD1-CZ 3.25Å; D275-R615 IonicContact OD1-NH1 3.16Å; D275-R615 PolarHBondContact OD1-NH1 3.46Å; D275-R615 IonicContact OD1-NH2 2.63Å; D275-R615 PolarHBondContact OD1-NH2 3.09Å; D275-R615 IonicContact OD2-NH1 3.62Å; D275-R615 PolarHBondContact OD2-NH1 2.86Å; L611-R615 WeakPolarHBondContact O-CG 3.4Å; L611-R615 PolarHBondContact O-N 2.85Å; L611-R615 VanDerWaalsContact O-N 3.09Å; T612-R615 PolarHBondContact O-N 3.18Å; L613-R615 VanDerWaalsContact C-N 3.31Å; L613-R615 PolarHBondContact O-N 2.78Å
616	A	94.3	Very high	83.6	Confident	25 Å²	25	60.9 Å²	60.9	21%	0.207	31%	0.309	C	S	.	.	H	α-helix	trans	-83.8	-35.6	-176.9	0	0	0	0	0	112.9	A199 T612 L613	A199-A616 HydrophobicContact CB-CB 3.48Å; A199-A616 VanDerWaalsContact CB-CB 3.48Å; T612-A616 VanDerWaalsContact O-CB 3.3Å; T612-A616 WeakPolarHBondContact O-CB 3.31Å; T612-A616 PolarHBondContact O-N 3.18Å; L613-A616 PolarHBondContact O-N 3.43Å
617	F	92.4	Very high	81	Confident	34 Å²	34	62.5 Å²	62.5	15%	0.149	33%	0.326	C	S	.	.			trans	-134.4	67.1	-177.4	-42.9	-72.4	0	0	0	110.9	H174 P197 A199 L613 D619 K620 F621	H174-F617 HydrophobicContact CB-CD2 4.3Å; H174-F617 HydrophobicContact CB-CE2 3.83Å; H174-F617 HydrophobicContact CB-CZ 4.36Å; H174-F617 AromaticContact CE1-CD1 4Å; H174-F617 AromaticContact CG-CE2 3.94Å; H174-F617 AromaticContact ND1-CD1 3.71Å; H174-F617 AromaticContact ND1-CD2 3.54Å; H174-F617 AromaticContact ND1-CE1 3.64Å; H174-F617 AromaticContact ND1-CE2 3.46Å; H174-F617 WeakPolarHBondContact ND1-CE2 3.39Å; H174-F617 AromaticContact ND1-CG 3.66Å; H174-F617 AromaticContact ND1-CZ 3.51Å; P197-F617 WeakPolarHBondContact O-CZ 3.48Å; A199-F617 HydrophobicContact CB-CE2 3.86Å; L613-F617 HydrophobicContact CD2-CD2 4Å; L613-F617 HydrophobicContact CD2-CE2 4.09Å; L613-F617 PolarHBondContact O-N 3.14Å; F617-D619 PolarHBondContact O-N 3Å; F617-K620 PolarHBondContact O-N 3.37Å; F617-K620 VanDerWaalsContact O-N 3.14Å; F617-F621 HydrophobicContact CB-CD2 3.93Å; F617-F621 HydrophobicContact CB-CE2 4.23Å; F617-F621 HydrophobicContact CD2-CD2 4.28Å; F617-F621 HydrophobicContact CD2-CE2 4.11Å; F617-F621 PolarHBondContact O-N 3.1Å
618	P	89.3	Confident	78.7	Confident	66 Å²	66	64.6 Å²	64.6	43%	0.429	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-23.8	-172.3	26.2	-35.9	0	0	0	114	S614 K620 H622	S614-P618 VanDerWaalsContact O-CA 3.29Å; S614-P618 WeakPolarHBondContact O-CA 3.47Å; S614-P618 WeakPolarHBondContact O-CB 3.42Å; P618-K620 VanDerWaalsContact C-N 3.26Å; P618-K620 PolarHBondContact O-N 3.33Å; P618-H622 PolarHBondContact O-CE1 2.83Å; P618-H622 PolarHBondContact O-ND1 3.13Å
619	D	87.7	Confident	76.3	Confident	153 Å²	153	67.7 Å²	67.7	82%	0.818	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-18.1	179.3	-58.3	-38	0	0	0	113.1	F617	F617-D619 PolarHBondContact O-N 3Å
620	K	84.4	Confident	73.8	Confident	134 Å²	134	71.7 Å²	71.7	58%	0.583	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.5	-38.3	-176.8	-69.7	-172.9	178	-167.7	0	112.9	H174 F617 P618	H174-K620 WeakPolarHBondContact NE2-CD 3.45Å; H174-K620 PolarHBondContact NE2-NZ 2.91Å; F617-K620 PolarHBondContact O-N 3.37Å; F617-K620 VanDerWaalsContact O-N 3.14Å; P618-K620 VanDerWaalsContact C-N 3.26Å; P618-K620 PolarHBondContact O-N 3.33Å
621	F	84.7	Confident	71.6	Confident	28 Å²	28	72.3 Å²	72.3	12%	0.123	39%	0.391	C	S	.	.			trans	-113.3	116.2	-179.3	-55.6	-79.5	0	0	0	109.9	P24 L28 H174 L613 S614 F617	P24-F621 HydrophobicContact CG-CE1 3.79Å; L28-F621 HydrophobicContact CD2-CZ 3.94Å; H174-F621 HydrophobicContact CB-CE2 4.49Å; H174-F621 AromaticContact CD2-CE2 3.85Å; H174-F621 AromaticContact CD2-CZ 3.94Å; L613-F621 HydrophobicContact CB-CB 4.23Å; L613-F621 HydrophobicContact CB-CD2 3.97Å; L613-F621 HydrophobicContact CB-CG 3.99Å; L613-F621 HydrophobicContact CD2-CD2 4.3Å; L613-F621 HydrophobicContact CD2-CE2 4.03Å; L613-F621 HydrophobicContact CD2-CZ 4.39Å; S614-F621 WeakPolarHBondContact CA-O 3.38Å; S614-F621 PolarHBondContact OG-O 3.24Å; F617-F621 HydrophobicContact CB-CD2 3.93Å; F617-F621 HydrophobicContact CB-CE2 4.23Å; F617-F621 HydrophobicContact CD2-CD2 4.28Å; F617-F621 HydrophobicContact CD2-CE2 4.11Å; F617-F621 PolarHBondContact O-N 3.1Å
622	H	76.3	Confident	69.2	Low	145 Å²	145	79.4 Å²	79.4	67%	0.671	42%	0.424	S	S	*	.			trans	-107.1	121.4	171.6	-63.8	-58.5	0	0	0	108.8	P618	P618-H622 PolarHBondContact O-CE1 2.83Å; P618-H622 PolarHBondContact O-ND1 3.13Å
623	V	67.8	Low	66.8	Low	38 Å²	38	81.3 Å²	81.3	23%	0.23	44%	0.444	C	S	.	.			trans	-109.4	117.9	166	174.5	0	0	0	0	105.5	H610 L625	H610-V623 HydrophobicContact CB-CG2 4.07Å; V623-L625 PolarHBondContact O-N 2.97Å; V623-L625 VanDerWaalsContact O-N 3.13Å
624	E	57.8	Low	65	Low	166 Å²	166	81.8 Å²	81.8	78%	0.776	45%	0.446	S	S	*	.			trans	-57.1	122	165.6	-74.9	-167.2	167.1	0	0	107.2	T626	E624-T626 PolarHBondContact O-N 2.9Å; E624-T626 PolarHBondContact O-OG1 3.25Å
625	L	48.8	Very low	63.9	Low	152 Å²	152	86.4 Å²	86.4	80%	0.796	46%	0.463	S	S	*	.			trans	-68.8	49.6	173.7	-76.3	157.3	0	0	0	110.2	V623 S627	V623-L625 PolarHBondContact O-N 2.97Å; V623-L625 VanDerWaalsContact O-N 3.13Å; L625-S627 PolarHBondContact O-N 2.8Å
626	T	45.1	Very low	63	Low	107 Å²	107	82.7 Å²	82.7	66%	0.656	45%	0.449	S	S	*	.			trans	-57.8	119.5	142.7	38.6	0	0	0	0	104.8	E624	E624-T626 PolarHBondContact O-N 2.9Å; E624-T626 PolarHBondContact O-OG1 3.25Å
627	S	37.3	Very low	62.2	Low	83 Å²	83	82.3 Å²	82.3	58%	0.58	44%	0.444	S	S	*	.			trans	-38.3	152.2	170.7	-50	0	0	0	0	109.9	L625 P629	L625-S627 PolarHBondContact O-N 2.8Å; S627-P629 WeakPolarHBondContact O-CA 3.3Å
628	P	41.5	Very low	61.4	Low	63 Å²	63	84.4 Å²	84.4	41%	0.409	45%	0.451	S	S	.	.	S	Bend	trans	-42.3	120.7	164.1	20.4	-31.7	0	0	0	105.2	T630	P628-T630 PolarHBondContact O-N 2.81Å
629	P	42.2	Very low	60.6	Low	65 Å²	65	81.4 Å²	81.4	42%	0.422	43%	0.431	S	S	.	.			trans	-54.6	115.9	-162.9	22.1	-32.7	0	0	0	104.3	W18 S627 T631	W18-P629 HydrophobicContact CD2-CG 3.95Å; W18-P629 HydrophobicContact CE3-CG 4.39Å; W18-P629 HydrophobicContact CH2-CG 3.89Å; W18-P629 HydrophobicContact CZ2-CG 3.41Å; W18-P629 VanDerWaalsContact CZ2-CG 3.41Å; W18-P629 HydrophobicContact CZ3-CG 4.36Å; S627-P629 WeakPolarHBondContact O-CA 3.3Å; P629-T631 PolarHBondContact O-N 3.19Å
630	T	41	Very low	59.4	Low	85 Å²	85	76.3 Å²	76.3	52%	0.521	41%	0.408	S	S	.	.			trans	-51.8	123.4	170.2	27.7	0	0	0	0	103.1	P628 E632	P628-T630 PolarHBondContact O-N 2.81Å; T630-E632 HydrophobicContact CG2-CG 4.23Å; T630-E632 PolarHBondContact O-N 2.91Å; T630-E632 PolarHBondContact OG1-OE2 3.32Å
631	T	45.9	Very low	58.6	Low	36 Å²	36	72.4 Å²	72.4	22%	0.221	40%	0.398	C	S	.	.			trans	-60.3	21.2	164.1	37.9	0	0	0	0	111.1	E540 P629 G633 F634	E540-T631 PolarHBondContact OE1-OG1 2.86Å; P629-T631 PolarHBondContact O-N 3.19Å; T631-G633 PolarHBondContact O-N 3.44Å; T631-F634 PolarHBondContact O-N 2.87Å
632	E	40.5	Very low	57.8	Low	165 Å²	165	72.6 Å²	72.6	77%	0.771	40%	0.401	S	S	*	.	S	Bend	trans	-58.7	75.9	160.9	-79.3	177.8	161.9	0	0	109.2	T630	T630-E632 HydrophobicContact CG2-CG 4.23Å; T630-E632 PolarHBondContact O-N 2.91Å; T630-E632 PolarHBondContact OG1-OE2 3.32Å
633	G	46.3	Very low	56.6	Low	40 Å²	40	70.5 Å²	70.5	41%	0.412	40%	0.4	S	S	.	.	S	Bend	trans	156.2	-37.6	171.6	0	0	0	0	0	113.1	T631 K635	T631-G633 PolarHBondContact O-N 3.44Å; G633-K635 PolarHBondContact O-N 2.63Å
634	F	55.4	Low	55.5	Low	11 Å²	11	74 Å²	74	5%	0.048	42%	0.424	C	S	.	.			trans	-88.4	95.2	179.1	-173.5	-92.8	0	0	0	110.6	L15 P16 L595 T631 Y636 I681	L15-F634 HydrophobicContact CD2-CD2 4.31Å; L15-F634 HydrophobicContact CD2-CE1 3.89Å; L15-F634 HydrophobicContact CD2-CE2 3.24Å; L15-F634 HydrophobicContact CD2-CZ 3.01Å; P16-F634 HydrophobicContact CG-CD2 3.9Å; L595-F634 HydrophobicContact CD2-CE1 3.61Å; L595-F634 HydrophobicContact CD2-CZ 3.91Å; T631-F634 PolarHBondContact O-N 2.87Å; F634-Y636 HydrophobicContact CZ-CD2 4.41Å; F634-I681 HydrophobicContact CD2-CG2 4.01Å; F634-I681 HydrophobicContact CE2-CG2 3.43Å; F634-I681 VanDerWaalsContact CE2-CG2 3.43Å; F634-I681 HydrophobicContact CZ-CG2 4.45Å
635	K	69.4	Low	54.6	Low	121 Å²	121	69.6 Å²	69.6	53%	0.526	41%	0.411	S	S	.	.			trans	-115.8	122.9	162	-72	-172.7	174.9	-175.1	0	108.4	E540 H541 A543 G633 P637	E540-K635 WeakPolarHBondContact O-CE 3.17Å; H541-K635 CarbonylContact O-C 3.59Å; H541-K635 WeakPolarHBondContact O-CA 3.36Å; A543-K635 HydrophobicContact CB-CB 4.28Å; G633-K635 PolarHBondContact O-N 2.63Å; K635-P637 VanDerWaalsContact O-N 3.14Å
636	Y	75	Confident	54	Low	20 Å²	20	68.7 Å²	68.7	8%	0.078	41%	0.414	C	S	.	.	B	Isolated β-bridge	trans	-53.7	122.5	169.8	-157.5	-78.8	0	0	0	107.6	H541 A543 Y548 L592 L595 F634	H541-Y636 PolarHBondContact O-N 2.93Å; A543-Y636 WeakPolarHBondContact CB-O 3.28Å; A543-Y636 PolarHBondContact N-O 3.01Å; Y548-Y636 HydrophobicContact CD1-CE1 4.48Å; Y548-Y636 AromaticContact CE1-CD1 3.99Å; Y548-Y636 HydrophobicContact CE1-CD1 3.99Å; Y548-Y636 AromaticContact CE1-CE1 3.53Å; Y548-Y636 HydrophobicContact CE1-CE1 3.53Å; Y548-Y636 AromaticContact CE2-CD1 3.93Å; Y548-Y636 HydrophobicContact CE2-CD1 3.93Å; Y548-Y636 HydrophobicContact CE2-CE1 4.27Å; Y548-Y636 AromaticContact CZ-CD1 3.53Å; Y548-Y636 AromaticContact CZ-CE1 3.41Å; Y548-Y636 VanDerWaalsContact CZ-CE1 3.41Å; Y548-Y636 VanDerWaalsContact OH-CE1 3.3Å; Y548-Y636 WeakPolarHBondContact OH-CE1 3.43Å; L592-Y636 HydrophobicContact CD2-CD1 4.01Å; L592-Y636 HydrophobicContact CD2-CD2 4.26Å; L592-Y636 HydrophobicContact CD2-CE1 4.24Å; L592-Y636 HydrophobicContact CD2-CE2 4.44Å; L592-Y636 HydrophobicContact CD2-CG 4.02Å; L595-Y636 HydrophobicContact CD1-CD2 3.91Å; L595-Y636 HydrophobicContact CD1-CG 4.36Å; L595-Y636 HydrophobicContact CD2-CD2 4.28Å; L595-Y636 HydrophobicContact CG-CD2 4.26Å; F634-Y636 HydrophobicContact CZ-CD2 4.41Å
637	P	76.6	Confident	53.4	Low	16 Å²	16	68.8 Å²	68.8	10%	0.104	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-66.9	164.3	-168.2	27.7	-35.5	0	0	0	110.8	Y548 K635 D677 N680 I681	Y548-P637 WeakPolarHBondContact CE2-O 3.42Å; Y548-P637 PolarHBondContact OH-O 3.25Å; K635-P637 VanDerWaalsContact O-N 3.14Å; P637-D677 WeakPolarHBondContact CG-O 3.23Å; P637-N680 HydrophobicContact CB-CB 4.01Å; P637-N680 HydrophobicContact CG-CB 3.99Å; P637-I681 HydrophobicContact CG-CG1 4.3Å
638	R	76.1	Confident	53.4	Low	79 Å²	79	68.4 Å²	68.4	30%	0.298	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-65.9	142	169.5	-173.2	174.9	-171.6	-161.5	-10.3	109.2	D544 S640 P643 S645	D544-R638 HydrophobicContact CB-CB 4.4Å; D544-R638 HydrophobicContact CB-CG 4.06Å; D544-R638 IonicContact OD2-CZ 2.63Å; D544-R638 IonicContact OD2-NE 3.39Å; D544-R638 PolarHBondContact OD2-NE 2.94Å; D544-R638 VanDerWaalsContact OD2-NE 3.12Å; R638-S640 PolarHBondContact O-N 2.89Å; R638-P643 PolarHBondContact NH1-O 3.34Å; R638-P643 PolarHBondContact NH2-O 3.06Å; R638-S645 PolarHBondContact NH1-OG 3.22Å
639	P	73.9	Confident	53.3	Low	2 Å²	2	71 Å²	71	1%	0.013	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-63.9	134.2	-178.6	-6.4	16.9	0	0	0	110.5	A547 Y548 R588 S641 V642	A547-P639 HydrophobicContact CB-CG 3.97Å; Y548-P639 HydrophobicContact CD2-CG 4.11Å; Y548-P639 HydrophobicContact CE1-CG 4.01Å; Y548-P639 HydrophobicContact CE2-CG 3.55Å; Y548-P639 VanDerWaalsContact CZ-CG 3.45Å; Y548-P639 WeakPolarHBondContact OH-CA 3.25Å; Y548-P639 WeakPolarHBondContact OH-CG 3.45Å; R588-P639 VanDerWaalsContact CD-CG 3.45Å; P639-S641 PolarHBondContact O-N 3.09Å; P639-S641 VanDerWaalsContact O-N 3.12Å; P639-V642 HydrophobicContact CB-CG2 4.12Å; P639-V642 HydrophobicContact CG-CG2 3.93Å; P639-V642 PolarHBondContact O-N 2.93Å
640	S	61.7	Low	52.8	Low	46 Å²	46	77 Å²	77	32%	0.322	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.4	-176.1	56.6	0	0	0	0	114.8	R638 V642 D677	R638-S640 PolarHBondContact O-N 2.89Å; S640-V642 VanDerWaalsContact C-N 3.3Å; S640-D677 PolarHBondContact N-OD1 3.29Å; S640-D677 VanDerWaalsContact N-OD1 3.09Å; S640-D677 PolarHBondContact OG-OD1 3.28Å
641	S	67.6	Low	52.7	Low	53 Å²	53	78.3 Å²	78.3	37%	0.371	49%	0.49	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	1.5	176.8	56	0	0	0	0	114.4	R588 P639 E673	R588-S641 PolarHBondContact NH2-OG 2.81Å; P639-S641 PolarHBondContact O-N 3.09Å; P639-S641 VanDerWaalsContact O-N 3.12Å; S641-E673 WeakPolarHBondContact CB-OE2 3.25Å; S641-E673 PolarHBondContact OG-OE1 3.31Å; S641-E673 PolarHBondContact OG-OE2 3.22Å
642	V	67.8	Low	52.1	Low	32 Å²	32	82 Å²	82	19%	0.194	52%	0.517	C	S	.	.	S	Bend	trans	-94.7	121.7	170.1	-172.4	0	0	0	0	108.4	A547 P639 S640	A547-V642 HydrophobicContact CB-CG2 4.17Å; P639-V642 HydrophobicContact CB-CG2 4.12Å; P639-V642 HydrophobicContact CG-CG2 3.93Å; P639-V642 PolarHBondContact O-N 2.93Å; S640-V642 VanDerWaalsContact C-N 3.3Å
643	P	50.2	Low	51.7	Low	100 Å²	100	79.4 Å²	79.4	65%	0.649	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-58.2	142.3	-178.9	20.8	-30.4	0	0	0	111	R638 S645	R638-P643 PolarHBondContact NH1-O 3.34Å; R638-P643 PolarHBondContact NH2-O 3.06Å; P643-S645 PolarHBondContact O-N 3.34Å
644	P	44.8	Very low	51.2	Low	113 Å²	113	83.9 Å²	83.9	73%	0.734	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-56.9	139.7	178.6	22.5	-30.8	0	0	0	109.8
645	S	39.1	Very low	50	Low	72 Å²	72	92.4 Å²	92.4	50%	0.503	58%	0.579	S	S	.	*	P	Polyproline II helix	trans	-62.7	139.7	174.9	-53.3	0	0	0	0	107.9	R638 P643 S647	R638-S645 PolarHBondContact NH1-OG 3.22Å; P643-S645 PolarHBondContact O-N 3.34Å; S645-S647 PolarHBondContact O-N 3.2Å
646	P	36	Very low	48	Very low	133 Å²	133	91.8 Å²	91.8	86%	0.864	59%	0.59	S	S	*	*			trans	-57.9	111.9	-177.8	21.1	-30.1	0	0	0	109
647	S	33.6	Very low	46.3	Very low	110 Å²	110	95.6 Å²	95.6	77%	0.769	62%	0.619	S	S	*	*			trans	-75	127.1	174.4	-26.5	0	0	0	0	106.7	S645 S649	S645-S647 PolarHBondContact O-N 3.2Å; S647-S649 PolarHBondContact O-N 2.99Å
648	G	36.3	Very low	44.3	Very low	74 Å²	74	102 Å²	102	76%	0.763	65%	0.653	S	S	*	*	S	Bend	trans	-55.1	130.3	178.3	0	0	0	0	0	112.3
649	S	39.5	Very low	42	Very low	117 Å²	117	104.2 Å²	104.2	82%	0.818	68%	0.675	S	S	*	*			trans	58.5	90.5	163.1	61.5	0	0	0	0	118.9	S647	S647-S649 PolarHBondContact O-N 2.99Å
650	Q	32	Very low	40	Very low	192 Å²	192	112.3 Å²	112.3	90%	0.897	71%	0.712	S	S	*	*				-140.8	141.3	114.7	-76.2	-156.5	-14	0	0	109.4
651	A	38.9	Very low	38.8	Very low	112 Å²	112	118.2 Å²	118.2	93%	0.926	74%	0.74	S	S	*	*			trans	-72.9	126.5	178.3	0	0	0	0	0	110
652	S	33	Very low	37.3	Very low	115 Å²	115	124 Å²	124	80%	0.804	76%	0.761	S	S	*	*			trans	-126.6	130.1	159.6	48.3	0	0	0	0	109.5
653	S	32.1	Very low	35.7	Very low	110 Å²	110	129.1 Å²	129.1	77%	0.769	79%	0.793	S	S	*	*			trans	-25.9	151.3	-176.3	10.3	0	0	0	0	119.6	Q655	S653-Q655 PolarHBondContact O-N 3.04Å
654	P	36.6	Very low	35	Very low	133 Å²	133	131.9 Å²	131.9	86%	0.864	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-74.4	116.7	178.3	31.6	-30.3	0	0	0	109.8
655	Q	30.4	Very low	34.8	Very low	190 Å²	190	133.1 Å²	133.1	89%	0.888	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-103	128.6	156.4	-92.3	177.6	-23.7	0	0	108.4	S653	S653-Q655 PolarHBondContact O-N 3.04Å
656	S	27.8	Very low	35	Very low	108 Å²	108	136.4 Å²	136.4	76%	0.755	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-53.4	130.9	-179.3	45.9	0	0	0	0	111.8
657	S	37.8	Very low	35.7	Very low	100 Å²	100	140.8 Å²	140.8	70%	0.699	80%	0.804	S	S	*	*	S	Bend	trans	-55.5	137.1	156.3	49	0	0	0	0	109.5
658	D	34.6	Very low	36.8	Very low	152 Å²	152	138.8 Å²	138.8	81%	0.813	78%	0.78	S	S	*	*			trans	111.9	61.4	170.8	-55.5	-20.3	0	0	0	114.8
659	V	29.4	Very low	38.3	Very low	124 Å²	124	138 Å²	138	75%	0.752	76%	0.758	S	S	*	*			trans	-147.9	101.7	146.4	-168.2	0	0	0	0	109.5
660	E	30.3	Very low	39.5	Very low	173 Å²	173	134.9 Å²	134.9	81%	0.808	73%	0.731	S	S	*	*			trans	54.9	104.6	140.7	-58.9	176.1	168.7	0	0	119.8	E662	E660-E662 VanDerWaalsContact C-N 3.28Å; E660-E662 PolarHBondContact O-N 2.99Å
661	D	37.2	Very low	41.1	Very low	169 Å²	169	133.3 Å²	133.3	90%	0.904	72%	0.723	S	S	*	*	S	Bend	trans	-54.1	86	144.7	-72.7	-56	0	0	0	110.4
662	E	35.7	Very low	42.6	Very low	174 Å²	174	133.4 Å²	133.4	81%	0.813	70%	0.703	S	S	*	*			trans	-171.5	133.9	156.8	-105.5	167.2	-148.8	0	0	107.5	E660	E660-E662 VanDerWaalsContact C-N 3.28Å; E660-E662 PolarHBondContact O-N 2.99Å
663	V	34.1	Very low	44.3	Very low	141 Å²	141	128.4 Å²	128.4	86%	0.855	67%	0.667	S	S	*	*	S	Bend	trans	85.1	101.6	-173.9	-161.5	0	0	0	0	113.1
664	E	35.7	Very low	45.8	Very low	158 Å²	158	124.1 Å²	124.1	74%	0.738	64%	0.638	S	S	*	*			cis	-142.6	117.9	43.4	-113.2	166.2	-174.6	0	0	110.2	E666	E664-E666 PolarHBondContact O-N 3.21Å
665	D	40.8	Very low	47.2	Very low	139 Å²	139	123.4 Å²	123.4	74%	0.743	62%	0.623	S	S	*	*			trans	-76	68.5	165.5	-152.5	11.3	0	0	0	107.7	R667	D665-R667 VanDerWaalsContact C-N 3.3Å; D665-R667 PolarHBondContact O-N 2.87Å
666	E	43.9	Very low	48.9	Very low	141 Å²	141	120.5 Å²	120.5	66%	0.659	60%	0.604	S	S	*	*			trans	-60	102.2	161.8	-82.4	-160.6	157.9	0	0	106	E664 Y668	E664-E666 PolarHBondContact O-N 3.21Å; E666-Y668 PolarHBondContact O-N 2.64Å
667	R	49.3	Very low	50.7	Low	225 Å²	225	115.4 Å²	115.4	85%	0.849	57%	0.568	S	S	*	*			trans	-46.6	116	168.8	-96.6	-177.7	-169.6	-171.9	4.8	107	D665 D669	D665-R667 VanDerWaalsContact C-N 3.3Å; D665-R667 PolarHBondContact O-N 2.87Å; R667-D669 PolarHBondContact O-N 3.39Å
668	Y	56.7	Low	51.9	Low	67 Å²	67	117.4 Å²	117.4	26%	0.263	56%	0.56	S	S	.	*			trans	-51.1	107.6	169.3	172.3	-90.7	0	0	0	107.4	I584 E666 E670 E673	I584-Y668 HydrophobicContact CD1-CD2 4.34Å; I584-Y668 HydrophobicContact CD1-CE2 4.5Å; I584-Y668 HydrophobicContact CG1-CD2 4.38Å; I584-Y668 HydrophobicContact CG1-CE1 4.48Å; I584-Y668 HydrophobicContact CG1-CE2 4.17Å; I584-Y668 HydrophobicContact CG2-CE2 3.93Å; E666-Y668 PolarHBondContact O-N 2.64Å; Y668-E670 HydrophobicContact CE1-CB 3.86Å; Y668-E670 HydrophobicContact CE1-CG 4.42Å; Y668-E673 WeakPolarHBondContact CE2-OE2 3.18Å
669	D	68.8	Low	53.1	Low	58 Å²	58	116.6 Å²	116.6	31%	0.31	56%	0.555	S	S	.	*			trans	-103.3	99.5	-177.6	-173	-28.3	0	0	0	106.7	R667 E671 K672 E673	R667-D669 PolarHBondContact O-N 3.39Å; D669-E671 VanDerWaalsContact C-N 3.26Å; D669-E671 PolarHBondContact O-N 3.26Å; D669-E671 PolarHBondContact OD1-N 3.48Å; D669-K672 HydrophobicContact CB-CB 3.98Å; D669-K672 HydrophobicContact CB-CD 3.89Å; D669-K672 HydrophobicContact CB-CG 4.08Å; D669-K672 VanDerWaalsContact CG-CG 3.48Å; D669-K672 PolarHBondContact O-N 2.97Å; D669-K672 PolarHBondContact OD1-N 2.94Å; D669-K672 WeakPolarHBondContact OD2-CD 3.23Å; D669-K672 WeakPolarHBondContact OD2-CE 3.48Å; D669-K672 WeakPolarHBondContact OD2-CG 3.36Å; D669-K672 IonicContact OD2-NZ 3.79Å; D669-K672 PolarHBondContact OD2-NZ 3.02Å; D669-E673 PolarHBondContact O-N 3.43Å
670	E	64.4	Low	54.4	Low	51 Å²	51	114.7 Å²	114.7	24%	0.238	54%	0.541	C	S	.	.	H	α-helix	trans	-59.9	-38.2	-175.2	-179	168.5	-162.3	0	0	112.1	N587 Y668 E673 A674	N587-E670 WeakPolarHBondContact CB-OE1 3.44Å; N587-E670 PolarHBondContact ND2-OE1 3.27Å; N587-E670 PolarHBondContact ND2-OE2 3.47Å; Y668-E670 HydrophobicContact CE1-CB 3.86Å; Y668-E670 HydrophobicContact CE1-CG 4.42Å; E670-E673 PolarHBondContact O-N 3.4Å; E670-A674 VanDerWaalsContact O-CB 3.31Å; E670-A674 WeakPolarHBondContact O-CB 3.3Å; E670-A674 PolarHBondContact O-N 2.96Å
671	E	65.7	Low	55.6	Low	159 Å²	159	107.4 Å²	107.4	74%	0.743	51%	0.508	S	S	*	.	H	α-helix	trans	-67.4	-42	178.9	-68.9	-174.8	174.6	0	0	110.5	D669 A674 E675	D669-E671 VanDerWaalsContact C-N 3.26Å; D669-E671 PolarHBondContact O-N 3.26Å; D669-E671 PolarHBondContact OD1-N 3.48Å; E671-A674 PolarHBondContact O-N 3.34Å; E671-E675 WeakPolarHBondContact O-CB 3.35Å; E671-E675 PolarHBondContact O-N 2.76Å
672	K	69.4	Low	55.8	Low	115 Å²	115	107.4 Å²	107.4	50%	0.5	50%	0.499	S	S	.	.	H	α-helix	trans	-65.4	-39.7	174.7	-71.4	-179.6	-171	148.7	0	113.1	D669 E675 R676	D669-K672 HydrophobicContact CB-CB 3.98Å; D669-K672 HydrophobicContact CB-CD 3.89Å; D669-K672 HydrophobicContact CB-CG 4.08Å; D669-K672 VanDerWaalsContact CG-CG 3.48Å; D669-K672 PolarHBondContact O-N 2.97Å; D669-K672 PolarHBondContact OD1-N 2.94Å; D669-K672 WeakPolarHBondContact OD2-CD 3.23Å; D669-K672 WeakPolarHBondContact OD2-CE 3.48Å; D669-K672 WeakPolarHBondContact OD2-CG 3.36Å; D669-K672 IonicContact OD2-NZ 3.79Å; D669-K672 PolarHBondContact OD2-NZ 3.02Å; K672-E675 PolarHBondContact O-N 3.28Å; K672-R676 WeakPolarHBondContact O-CB 3.37Å; K672-R676 VanDerWaalsContact O-CG 3.29Å; K672-R676 WeakPolarHBondContact O-CG 3.22Å; K672-R676 PolarHBondContact O-N 3.24Å
673	E	69.1	Low	55.8	Low	10 Å²	10	102.5 Å²	102.5	5%	0.047	49%	0.485	C	S	.	.	H	α-helix	trans	-66.1	-43.7	175.4	-178.1	172.5	150.3	0	0	111.1	R588 R591 S641 Y668 D669 E670 E675 R676 D677	R588-E673 IonicContact NE-OE1 3.1Å; R588-E673 PolarHBondContact NE-OE1 3.36Å; R588-E673 VanDerWaalsContact NE-OE1 3.16Å; R591-E673 IonicContact CZ-OE1 2.67Å; R591-E673 IonicContact NH1-OE1 3.03Å; R591-E673 IonicContact NH2-OE1 2.8Å; R591-E673 PolarHBondContact NH2-OE1 3.46Å; S641-E673 WeakPolarHBondContact CB-OE2 3.25Å; S641-E673 PolarHBondContact OG-OE1 3.31Å; S641-E673 PolarHBondContact OG-OE2 3.22Å; Y668-E673 WeakPolarHBondContact CE2-OE2 3.18Å; D669-E673 PolarHBondContact O-N 3.43Å; E670-E673 PolarHBondContact O-N 3.4Å; E673-E675 VanDerWaalsContact C-N 3.29Å; E673-E675 PolarHBondContact O-N 3.39Å; E673-R676 PolarHBondContact O-N 3.32Å; E673-D677 WeakPolarHBondContact O-CB 3.39Å; E673-D677 PolarHBondContact O-N 3.39Å
674	A	63.6	Low	55.8	Low	19 Å²	19	99.3 Å²	99.3	16%	0.157	47%	0.467	C	S	.	.	H	α-helix	trans	-61.2	-39.7	176.1	0	0	0	0	0	111.6	E670 E671 R678	E670-A674 VanDerWaalsContact O-CB 3.31Å; E670-A674 WeakPolarHBondContact O-CB 3.3Å; E670-A674 PolarHBondContact O-N 2.96Å; E671-A674 PolarHBondContact O-N 3.34Å; A674-R678 WeakPolarHBondContact O-CB 3.23Å; A674-R678 WeakPolarHBondContact O-CG 3Å; A674-R678 PolarHBondContact O-N 3.49Å
675	E	66.9	Low	55.5	Low	118 Å²	118	99.9 Å²	99.9	55%	0.551	47%	0.467	S	S	*	.	H	α-helix	trans	-67.3	-43.4	175.7	-168.3	170.7	-153.9	0	0	112.2	E671 K672 E673 R678 L679	E671-E675 WeakPolarHBondContact O-CB 3.35Å; E671-E675 PolarHBondContact O-N 2.76Å; K672-E675 PolarHBondContact O-N 3.28Å; E673-E675 VanDerWaalsContact C-N 3.29Å; E673-E675 PolarHBondContact O-N 3.39Å; E675-R678 WeakPolarHBondContact O-CB 3.35Å; E675-R678 PolarHBondContact O-N 3.09Å; E675-L679 HydrophobicContact CG-CD1 4.49Å; E675-L679 WeakPolarHBondContact O-CG 3.42Å; E675-L679 PolarHBondContact O-N 3.13Å
676	R	65.9	Low	54.7	Low	130 Å²	130	97.8 Å²	97.8	49%	0.491	47%	0.469	S	S	.	.	H	α-helix	trans	-61.5	-44.6	174.4	-76	176.6	-175.8	178.3	2.5	112.1	K672 E673 R678 L679 N680	K672-R676 WeakPolarHBondContact O-CB 3.37Å; K672-R676 VanDerWaalsContact O-CG 3.29Å; K672-R676 WeakPolarHBondContact O-CG 3.22Å; K672-R676 PolarHBondContact O-N 3.24Å; E673-R676 PolarHBondContact O-N 3.32Å; R676-R678 VanDerWaalsContact C-N 3.31Å; R676-R678 PolarHBondContact O-N 3.43Å; R676-L679 PolarHBondContact O-N 3.19Å; R676-N680 WeakPolarHBondContact O-CB 3.33Å; R676-N680 VanDerWaalsContact O-CG 3.25Å; R676-N680 PolarHBondContact O-N 3.27Å; R676-N680 PolarHBondContact O-ND2 3.25Å; R676-N680 VanDerWaalsContact O-ND2 3.11Å
677	D	64.5	Low	53.9	Low	0 Å²	0	98.4 Å²	98.4	0%	0	48%	0.476	C	S	.	.	H	α-helix	trans	-63.4	-40.6	177.8	-76.1	9.7	0	0	0	110.1	Y548 R591 P637 S640 E673 L679 N680 I681	Y548-D677 PolarHBondContact OH-OD2 2.96Å; R591-D677 IonicContact CZ-OD2 3.25Å; R591-D677 IonicContact NH1-OD2 2.76Å; R591-D677 PolarHBondContact NH1-OD2 3.5Å; P637-D677 WeakPolarHBondContact CG-O 3.23Å; S640-D677 PolarHBondContact N-OD1 3.29Å; S640-D677 VanDerWaalsContact N-OD1 3.09Å; S640-D677 PolarHBondContact OG-OD1 3.28Å; E673-D677 WeakPolarHBondContact O-CB 3.39Å; E673-D677 PolarHBondContact O-N 3.39Å; D677-L679 PolarHBondContact O-N 3.47Å; D677-N680 CarbonylContact O-C 3.53Å; D677-N680 PolarHBondContact O-N 3.25Å; D677-I681 WeakPolarHBondContact O-CG1 3.47Å; D677-I681 PolarHBondContact O-N 3.44Å; D677-I681 VanDerWaalsContact O-N 3.14Å
678	R	64.5	Low	52.7	Low	142 Å²	142	92.2 Å²	92.2	54%	0.536	47%	0.467	S	S	.	.	H	α-helix	trans	-60	-43.2	173.1	-74.4	169.1	-173.4	173.1	5.1	113	A674 E675 R676 N680 I681	A674-R678 WeakPolarHBondContact O-CB 3.23Å; A674-R678 WeakPolarHBondContact O-CG 3Å; A674-R678 PolarHBondContact O-N 3.49Å; E675-R678 WeakPolarHBondContact O-CB 3.35Å; E675-R678 PolarHBondContact O-N 3.09Å; R676-R678 VanDerWaalsContact C-N 3.31Å; R676-R678 PolarHBondContact O-N 3.43Å; R678-N680 VanDerWaalsContact C-N 3.26Å; R678-N680 PolarHBondContact O-N 3.48Å; R678-I681 WeakPolarHBondContact O-CB 3.09Å; R678-I681 PolarHBondContact O-N 2.97Å
679	L	58.6	Low	51.2	Low	135 Å²	135	98.1 Å²	98.1	71%	0.707	50%	0.497	S	S	*	.	H	α-helix	trans	-66.4	-29.9	177	-70.4	168.4	0	0	0	112.4	E675 R676 D677 I681	E675-L679 HydrophobicContact CG-CD1 4.49Å; E675-L679 WeakPolarHBondContact O-CG 3.42Å; E675-L679 PolarHBondContact O-N 3.13Å; R676-L679 PolarHBondContact O-N 3.19Å; D677-L679 PolarHBondContact O-N 3.47Å; L679-I681 VanDerWaalsContact C-N 3.34Å
680	N	56.4	Low	49.2	Very low	84 Å²	84	102.1 Å²	102.1	45%	0.449	52%	0.517	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-4.6	179.5	-71	-32.3	0	0	0	113.7	P637 R676 D677 R678 K682	P637-N680 HydrophobicContact CB-CB 4.01Å; P637-N680 HydrophobicContact CG-CB 3.99Å; R676-N680 WeakPolarHBondContact O-CB 3.33Å; R676-N680 VanDerWaalsContact O-CG 3.25Å; R676-N680 PolarHBondContact O-N 3.27Å; R676-N680 PolarHBondContact O-ND2 3.25Å; R676-N680 VanDerWaalsContact O-ND2 3.11Å; D677-N680 CarbonylContact O-C 3.53Å; D677-N680 PolarHBondContact O-N 3.25Å; R678-N680 VanDerWaalsContact C-N 3.26Å; R678-N680 PolarHBondContact O-N 3.48Å; N680-K682 PolarHBondContact O-N 3.29Å
681	I	56.7	Low	47.5	Very low	21 Å²	21	105.2 Å²	105.2	11%	0.108	54%	0.541	C	S	.	.	S	Bend	trans	-64.9	101	166.8	-64.3	171.2	0	0	0	107	G14 F634 P637 D677 R678 L679 S683	G14-I681 WeakPolarHBondContact O-CG2 3.2Å; F634-I681 HydrophobicContact CD2-CG2 4.01Å; F634-I681 HydrophobicContact CE2-CG2 3.43Å; F634-I681 VanDerWaalsContact CE2-CG2 3.43Å; F634-I681 HydrophobicContact CZ-CG2 4.45Å; P637-I681 HydrophobicContact CG-CG1 4.3Å; D677-I681 WeakPolarHBondContact O-CG1 3.47Å; D677-I681 PolarHBondContact O-N 3.44Å; D677-I681 VanDerWaalsContact O-N 3.14Å; R678-I681 WeakPolarHBondContact O-CB 3.09Å; R678-I681 PolarHBondContact O-N 2.97Å; L679-I681 VanDerWaalsContact C-N 3.34Å; I681-S683 PolarHBondContact O-N 3.4Å
682	K	40.6	Very low	45.9	Very low	168 Å²	168	110.1 Å²	110.1	73%	0.73	55%	0.553	S	S	*	*			trans	-68.4	118.5	179.6	-69.6	-175.6	177.9	-179	0	109.4	N680	N680-K682 PolarHBondContact O-N 3.29Å
683	S	35.3	Very low	44	Very low	72 Å²	72	107.9 Å²	107.9	50%	0.503	56%	0.563	S	S	.	*			trans	-62.3	140.1	159.9	169.3	0	0	0	0	108.8	I681 F685	I681-S683 PolarHBondContact O-N 3.4Å; S683-F685 PolarHBondContact O-N 2.9Å; S683-F685 PolarHBondContact OG-N 3.19Å; S683-F685 PolarHBondContact OG-O 3.44Å
684	P	34.5	Very low	42.1	Very low	74 Å²	74	117.2 Å²	117.2	48%	0.481	60%	0.603	S	S	.	*	S	Bend	trans	-60.6	-16.1	174	-15.5	27.3	0	0	0	113.1
685	F	29.6	Very low	40.9	Very low	170 Å²	170	126.5 Å²	126.5	75%	0.746	64%	0.64	S	S	*	*			trans	-128.9	91.1	-178.5	-70.9	-85.8	0	0	0	111.4	S683	S683-F685 PolarHBondContact O-N 2.9Å; S683-F685 PolarHBondContact OG-N 3.19Å; S683-F685 PolarHBondContact OG-O 3.44Å
686	A	24.2	Very low	39.2	Very low	95 Å²	95	130.8 Å²	130.8	79%	0.785	66%	0.657	S	S	*	*			trans	-99.5	89.5	149	0	0	0	0	0	107.2	S688	A686-S688 VanDerWaalsContact C-N 3.31Å; A686-S688 PolarHBondContact O-N 2.85Å
687	L	26.4	Very low	37.6	Very low	154 Å²	154	132.8 Å²	132.8	81%	0.806	68%	0.676	S	S	*	*			trans	-60.6	101.3	162.5	-97.2	154.8	0	0	0	106.8	H689	L687-H689 PolarHBondContact O-N 3.43Å; L687-H689 VanDerWaalsContact O-N 3.07Å
688	S	26	Very low	36	Very low	95 Å²	95	142.3 Å²	142.3	66%	0.664	72%	0.72	S	S	*	*			trans	-56	116.1	164.9	49.8	0	0	0	0	107.4	A686 I690	A686-S688 VanDerWaalsContact C-N 3.31Å; A686-S688 PolarHBondContact O-N 2.85Å; S688-I690 PolarHBondContact O-N 2.96Å
689	H	24	Very low	34.4	Very low	190 Å²	190	139 Å²	139	88%	0.88	73%	0.73	S	S	*	*			trans	-58.9	100.3	169.5	-99.6	-62.7	0	0	0	108.2	L687 P691	L687-H689 PolarHBondContact O-N 3.43Å; L687-H689 VanDerWaalsContact O-N 3.07Å; H689-P691 WeakPolarHBondContact O-CD 3.39Å
690	I	27.2	Very low	33	Very low	143 Å²	143	141.7 Å²	141.7	73%	0.733	74%	0.739	S	S	*	*			trans	-73.6	119.6	163.6	-60.5	172.7	0	0	0	106.2	S688 R692	S688-I690 PolarHBondContact O-N 2.96Å; I690-R692 PolarHBondContact O-N 3.31Å
691	P	28.2	Very low	31.8	Very low	116 Å²	116	148.4 Å²	148.4	75%	0.753	76%	0.76	S	S	*	*			trans	-64	129.3	175.7	-1.2	10.4	0	0	0	109.3	H689 G693	H689-P691 WeakPolarHBondContact O-CD 3.39Å; P691-G693 PolarHBondContact O-N 2.68Å
692	R	31.8	Very low	30.5	Very low	262 Å²	262	156.7 Å²	156.7	99%	0.989	80%	0.795	S	S	*	*			trans	-56.4	105.6	173.2	-84.5	-179.2	171.1	179.8	-2	109.9	I690	I690-R692 PolarHBondContact O-N 3.31Å
693	G	29.6	Very low	30	Very low	68 Å²	68	160 Å²	160	70%	0.701	82%	0.821	S	S	*	*			trans	-137.9	99.5	178.4	0	0	0	0	0	112.6	P691	P691-G693 PolarHBondContact O-N 2.68Å
694	K	29.6	Very low	29.8	Very low	206 Å²	206	164.5 Å²	164.5	90%	0.896	84%	0.837	S	S	*	*			trans	55.9	111.1	155.6	-68	-178.8	177.5	176.8	0	119.3	K696	K694-K696 PolarHBondContact O-N 2.81Å
695	K	39	Very low	29.5	Very low	213 Å²	213	169.2 Å²	169.2	93%	0.926	86%	0.855	S	S	*	*			trans	-38.6	127	155	-73.6	176.6	171.8	179.1	0	111.7
696	K	29.9	Very low	29.5	Very low	209 Å²	209	169.2 Å²	169.2	91%	0.909	86%	0.861	S	S	*	*			trans	-130.3	135	149.5	-89.1	-171.7	174.6	-177.1	0	109.2	K694	K694-K696 PolarHBondContact O-N 2.81Å
697	L	33	Very low	29.8	Very low	172 Å²	172	173.5 Å²	173.5	90%	0.901	87%	0.866	S	S	*	*			trans	-66.9	152.1	-171.2	-75.1	134.5	0	0	0	112.6
698	H	30.3	Very low	30	Very low	200 Å²	200	174.8 Å²	174.8	93%	0.926	87%	0.87	S	S	*	*			trans	-52.7	141.3	164.4	-86	-27.7	0	0	0	112.3
699	G	31.3	Very low	30.3	Very low	71 Å²	71	180.1 Å²	180.1	73%	0.732	88%	0.883	S	S	*	*			trans	-158.4	97.4	167.3	0	0	0	0	0	109.8
700	E	29.8	Very low	30.7	Very low	192 Å²	192	179.4 Å²	179.4	90%	0.897	88%	0.884	S	S	*	*			trans	31.1	131.8	147.9	-65	179	159.1	0	0	122.7
701	Y	31.5	Very low	31	Very low	226 Å²	226	182.2 Å²	182.2	89%	0.886	90%	0.895	S	S	*	*			trans	-23.6	135.3	156.9	-76.4	-95.1	0	0	0	117.5
702	K	27.9	Very low	31.3	Very low	195 Å²	195	187.7 Å²	187.7	85%	0.848	91%	0.907	S	S	*	*				178.9	141.9	106.6	-98.9	179.1	-178.6	177.9	0	112.9
703	N	31.5	Very low	31.2	Very low	238 Å²	238	180.9 Å²	180.9	100%	1.273	90%	0.899	S	S	*	*			trans	80.6	0	174.8	-67.1	-1.2	0	0	0	117.3

Retrieved 703 of 703 residues in 280.1 ms (Link to these results)

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