A0A087XM05_POEFO Loading...

tRNA-dihydrouridine(47) synthase [NAD(P)(+)]

Catalyzes the synthesis of dihydrouridine, a modified base, in various RNAs, such as tRNAs, mRNAs and some long non-coding RNAs (lncRNAs). Mainly modifies the uridine in position 47 (U47) in the D-loop of most cytoplasmic tRNAs. Also able to mediate the formation of dihydrouridine in some mRNAs, thereby regulating their translation.

AlphaFold DB , UniProt , Accession A0A087XM05, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 640 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	31.9	Very low	31.1	Very low	238 Å²	238	156.4 Å²	156.4	100%	1.172	88%	0.878	S	S	*	*				0	113.9	0	-90.1	178.9	164.8	0	0	107.5
2	M	29.2	Very low	31.2	Very low	181 Å²	181	154.1 Å²	154.1	89%	0.892	87%	0.871	S	S	*	*			trans	54.2	108	155.1	-63.7	173.3	172.9	0	0	116.8
3	E	30.8	Very low	31.4	Very low	194 Å²	194	148.6 Å²	148.6	91%	0.907	86%	0.857	S	S	*	*			cis	58	93	44.7	-147.4	176.2	-137.2	0	0	112.3
4	A	31.5	Very low	31.7	Very low	101 Å²	101	147.3 Å²	147.3	84%	0.835	85%	0.852	S	S	*	*			trans	-165.5	137.8	153.6	0	0	0	0	0	110.8
5	S	31.3	Very low	32.7	Very low	127 Å²	127	147.1 Å²	147.1	89%	0.888	84%	0.84	S	S	*	*			trans	86.9	73.1	160.9	-143.6	0	0	0	0	118.2
6	A	33	Very low	33.8	Very low	92 Å²	92	145.7 Å²	145.7	76%	0.76	84%	0.835	S	S	*	*			trans	-162.1	96.2	144.8	0	0	0	0	0	109.1
7	K	28.8	Very low	35.2	Very low	211 Å²	211	142.5 Å²	142.5	92%	0.917	83%	0.831	S	S	*	*			trans	169.6	79.8	154.2	-95	161.6	-172.8	-173.7	0	108.7
8	D	32	Very low	37.4	Very low	173 Å²	173	138.6 Å²	138.6	93%	0.925	81%	0.809	S	S	*	*			trans	-147	79.2	158.1	-140.6	2.8	0	0	0	108.3
9	A	31.1	Very low	39.5	Very low	82 Å²	82	142.4 Å²	142.4	68%	0.678	81%	0.814	S	S	*	*			trans	-162.1	130.6	166.3	0	0	0	0	0	109
10	T	33.1	Very low	41.6	Very low	127 Å²	127	136.8 Å²	136.8	78%	0.779	79%	0.789	S	S	*	*			trans	74.3	85.1	160.3	58.3	0	0	0	0	118.6
11	E	30	Very low	43.8	Very low	194 Å²	194	134.6 Å²	134.6	91%	0.907	77%	0.772	S	S	*	*			trans	-137.3	69.1	133.9	-80.1	-167.1	163	0	0	109.7	A13	E11-A13 PolarHBondContact O-N 3.32Å
12	T	31.7	Very low	46.6	Very low	129 Å²	129	123.5 Å²	123.5	79%	0.791	72%	0.718	S	S	*	*			trans	-69.3	87.6	152.2	33.1	0	0	0	0	107.2	T14	T12-T14 VanDerWaalsContact C-N 3.31Å; T12-T14 PolarHBondContact O-N 3.49Å
13	A	34.1	Very low	49.6	Very low	83 Å²	83	116.1 Å²	116.1	69%	0.686	69%	0.685	S	S	*	*			trans	-64.2	93.9	168.6	0	0	0	0	0	108.3	E11 H15	E11-A13 PolarHBondContact O-N 3.32Å; A13-H15 VanDerWaalsContact C-N 3.28Å; A13-H15 PolarHBondContact O-N 3.2Å
14	T	35.2	Very low	52.7	Low	130 Å²	130	107.2 Å²	107.2	80%	0.798	64%	0.644	S	S	*	*			trans	-62.8	96	163.2	43	0	0	0	0	107.4	T12 V16	T12-T14 VanDerWaalsContact C-N 3.31Å; T12-T14 PolarHBondContact O-N 3.49Å; T14-V16 PolarHBondContact O-N 3.5Å; T14-V16 VanDerWaalsContact O-N 3.12Å
15	H	47.4	Very low	55.7	Low	144 Å²	144	106 Å²	106	67%	0.667	62%	0.62	S	S	*	*			trans	-68.2	109.1	179.7	-141.7	-80.2	0	0	0	108.1	A13 A17	A13-H15 VanDerWaalsContact C-N 3.28Å; A13-H15 PolarHBondContact O-N 3.2Å; H15-A17 PolarHBondContact O-N 3.47Å
16	V	50.3	Low	58.7	Low	125 Å²	125	106.1 Å²	106.1	76%	0.758	61%	0.606	S	S	*	*			trans	-61.2	127.3	177.6	178.4	0	0	0	0	108.4	T14 V18	T14-V16 PolarHBondContact O-N 3.5Å; T14-V16 VanDerWaalsContact O-N 3.12Å; V16-V18 PolarHBondContact O-N 3.15Å; V16-V18 VanDerWaalsContact O-N 3.08Å
17	A	57.7	Low	61.7	Low	92 Å²	92	108.2 Å²	108.2	76%	0.76	60%	0.601	S	S	*	*			trans	-51.7	116	178.5	0	0	0	0	0	111.1	H15 K19	H15-A17 PolarHBondContact O-N 3.47Å; A17-K19 PolarHBondContact O-N 3.14Å
18	V	73.6	Confident	64.9	Low	72 Å²	72	100.3 Å²	100.3	44%	0.436	57%	0.566	S	S	.	*			trans	-72.2	124.7	-179	-178.7	0	0	0	0	108.9	V16 G20 E21	V16-V18 PolarHBondContact O-N 3.15Å; V16-V18 VanDerWaalsContact O-N 3.08Å; V18-G20 PolarHBondContact O-N 3.43Å; V18-E21 HydrophobicContact CB-CB 4.19Å; V18-E21 HydrophobicContact CB-CG 4.03Å; V18-E21 HydrophobicContact CG1-CG 4Å; V18-E21 PolarHBondContact O-N 3.25Å
19	K	77.3	Confident	67.9	Low	210 Å²	210	95 Å²	95	91%	0.913	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	115.6	-177.6	-176.9	179.3	-179.1	176.2	0	110.8	A17	A17-K19 PolarHBondContact O-N 3.14Å
20	G	82.8	Confident	71	Confident	30 Å²	30	92.9 Å²	92.9	31%	0.309	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.5	-0.1	178.5	0	0	0	0	0	114.2	V18 E590 R591	V18-G20 PolarHBondContact O-N 3.43Å; G20-E590 CarbonylContact O-C 3.31Å; G20-E590 VanDerWaalsContact O-CA 3.32Å; G20-E590 WeakPolarHBondContact O-CA 3.41Å; G20-R591 PolarHBondContact O-N 3.32Å
21	E	87.9	Confident	73.9	Confident	91 Å²	91	91.1 Å²	91.1	43%	0.425	51%	0.505	S	S	.	.	B	Isolated β-bridge	trans	-95.8	148.3	167.8	-64.5	-173.8	177	0	0	110.6	V18 R591	V18-E21 HydrophobicContact CB-CB 4.19Å; V18-E21 HydrophobicContact CB-CG 4.03Å; V18-E21 HydrophobicContact CG1-CG 4Å; V18-E21 PolarHBondContact O-N 3.25Å; E21-R591 CarbonylContact C-O 3.54Å; E21-R591 WeakPolarHBondContact CA-O 3.42Å
22	A	90.6	Very high	76.9	Confident	6 Å²	6	87.2 Å²	87.2	5%	0.05	49%	0.485	C	S	.	.			trans	-75.6	140.1	174.2	0	0	0	0	0	109.9	I24 I576 E590 R591	A22-I24 PolarHBondContact O-N 3.47Å; A22-I576 HydrophobicContact CB-CD1 3.2Å; A22-E590 HydrophobicContact CB-CB 4.02Å; A22-R591 PolarHBondContact N-O 3.12Å
23	A	92.4	Very high	79.9	Confident	25 Å²	25	87.1 Å²	87.1	21%	0.207	48%	0.48	C	S	.	.			trans	-79.5	102.9	176.4	0	0	0	0	0	109.7	L581 E582 R583	A23-L581 WeakPolarHBondContact O-CA 3.46Å; A23-L581 WeakPolarHBondContact O-CD2 3.27Å; A23-E582 HydrophobicContact CB-CB 4.1Å; A23-E582 PolarHBondContact O-N 3.36Å; A23-R583 HydrophobicContact CB-CB 4.48Å
24	I	94.8	Very high	82.8	Confident	8 Å²	8	85.4 Å²	85.4	4%	0.041	47%	0.465	C	S	.	.	B	Isolated β-bridge	trans	-107.7	142.4	176.8	-60.9	-177.2	0	0	0	107.7	A22 F28 I29 I576 L580 P593 Y595	A22-I24 PolarHBondContact O-N 3.47Å; I24-F28 HydrophobicContact CG2-CB 3.91Å; I24-I29 HydrophobicContact CB-CD1 3.78Å; I24-I29 HydrophobicContact CG2-CD1 4.04Å; I24-I576 HydrophobicContact CD1-CD1 3.99Å; I24-I576 HydrophobicContact CD1-CG1 4.35Å; I24-I576 HydrophobicContact CD1-CG2 3.94Å; I24-I576 HydrophobicContact CG1-CD1 4.23Å; I24-I576 HydrophobicContact CG1-CG2 4.06Å; I24-L580 WeakPolarHBondContact CA-O 3.42Å; I24-L580 HydrophobicContact CG2-CB 4.5Å; I24-L580 WeakPolarHBondContact CG2-O 3.43Å; I24-P593 HydrophobicContact CD1-CG 4Å; I24-P593 HydrophobicContact CG1-CG 4.47Å; I24-Y595 HydrophobicContact CD1-CD1 3.38Å; I24-Y595 HydrophobicContact CD1-CD2 4.32Å; I24-Y595 HydrophobicContact CD1-CE1 3.94Å; I24-Y595 HydrophobicContact CD1-CG 3.6Å
25	K	95.4	Very high	85.7	Confident	76 Å²	76	79.4 Å²	79.4	33%	0.33	43%	0.429	S	S	.	.			trans	-59.2	141.4	179.1	-55.9	171.5	177.8	170.6	0	111	E27 F28 G579 L580 E582	K25-E27 WeakPolarHBondContact CB-OE1 3.32Å; K25-E27 WeakPolarHBondContact CB-OE2 3.47Å; K25-E27 WeakPolarHBondContact CD-OE1 3.44Å; K25-E27 PolarHBondContact O-N 3.39Å; K25-E27 VanDerWaalsContact O-N 3.14Å; K25-F28 HydrophobicContact CB-CD2 4.06Å; K25-F28 HydrophobicContact CB-CE2 4.41Å; K25-F28 HydrophobicContact CD-CE2 4.27Å; K25-F28 PolarHBondContact O-N 3.28Å; K25-G579 WeakPolarHBondContact CE-O 3.43Å; K25-G579 PolarHBondContact NZ-O 3.26Å; K25-L580 PolarHBondContact N-O 2.79Å; K25-E582 HydrophobicContact CG-CB 4.45Å
26	Q	93.7	Very high	87.9	Confident	128 Å²	128	74.5 Å²	74.5	60%	0.598	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-60.4	-31.4	-167.1	-167.8	62.7	17.5	0	0	113.1	F28 I29	Q26-F28 PolarHBondContact O-N 3.42Å; Q26-I29 PolarHBondContact O-N 3.47Å
27	E	94.8	Very high	89.9	Confident	137 Å²	137	70.5 Å²	70.5	64%	0.64	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-64.3	-17.6	178.8	65.5	-90.5	-159.1	0	0	114.5	K25	K25-E27 WeakPolarHBondContact CB-OE1 3.32Å; K25-E27 WeakPolarHBondContact CB-OE2 3.47Å; K25-E27 WeakPolarHBondContact CD-OE1 3.44Å; K25-E27 PolarHBondContact O-N 3.39Å; K25-E27 VanDerWaalsContact O-N 3.14Å
28	F	96.1	Very high	91.6	Very high	44 Å²	44	69.1 Å²	69.1	19%	0.193	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-100.1	-15.6	178	-61.9	-75	0	0	0	113.4	I24 K25 Q26 L580 Y595 M596 R598	I24-F28 HydrophobicContact CG2-CB 3.91Å; K25-F28 HydrophobicContact CB-CD2 4.06Å; K25-F28 HydrophobicContact CB-CE2 4.41Å; K25-F28 HydrophobicContact CD-CE2 4.27Å; K25-F28 PolarHBondContact O-N 3.28Å; Q26-F28 PolarHBondContact O-N 3.42Å; F28-L580 HydrophobicContact CD1-CD2 4.38Å; F28-L580 HydrophobicContact CD1-CG 4.09Å; F28-L580 HydrophobicContact CD2-CB 4.38Å; F28-L580 HydrophobicContact CD2-CG 3.88Å; F28-L580 HydrophobicContact CE1-CD1 4.15Å; F28-L580 HydrophobicContact CE1-CG 4.13Å; F28-L580 HydrophobicContact CE2-CD1 4.14Å; F28-L580 HydrophobicContact CE2-CG 3.95Å; F28-L580 HydrophobicContact CG-CD2 4.47Å; F28-L580 HydrophobicContact CG-CG 3.96Å; F28-L580 HydrophobicContact CZ-CD1 3.91Å; F28-L580 HydrophobicContact CZ-CG 4.07Å; F28-Y595 CarbonylContact O-C 3.43Å; F28-Y595 WeakPolarHBondContact O-CA 3.45Å; F28-Y595 WeakPolarHBondContact O-CB 3.41Å; F28-M596 VanDerWaalsContact CD1-O 3.25Å; F28-M596 WeakPolarHBondContact CD1-O 3.38Å; F28-M596 PolarHBondContact O-N 3.11Å; F28-R598 HydrophobicContact CE1-CG 4.42Å
29	I	96	Very high	92.6	Very high	61 Å²	61	65.7 Å²	65.7	31%	0.313	35%	0.346	S	S	.	.	B	Isolated β-bridge	trans	-66.8	137.9	-177.9	-63.9	-63.3	0	0	0	110	I24 Q26 P593	I24-I29 HydrophobicContact CB-CD1 3.78Å; I24-I29 HydrophobicContact CG2-CD1 4.04Å; Q26-I29 PolarHBondContact O-N 3.47Å; I29-P593 HydrophobicContact CD1-CB 4.38Å; I29-P593 HydrophobicContact CD1-CG 3.6Å
30	T	95.6	Very high	93.3	Very high	39 Å²	39	58.7 Å²	58.7	24%	0.239	32%	0.318	C	S	.	.			trans	-143.4	171.7	179.3	-166.5	0	0	0	0	112.2	A34 F35 Y594 M596	T30-A34 WeakPolarHBondContact OG1-CB 3.49Å; T30-F35 HydrophobicContact CG2-CB 3.9Å; T30-F35 HydrophobicContact CG2-CD2 4.26Å; T30-Y594 PolarHBondContact N-O 2.84Å; T30-Y594 WeakPolarHBondContact O-CB 3.33Å; T30-M596 HydrophobicContact CG2-CE 4.08Å; T30-M596 HydrophobicContact CG2-CG 4.04Å
31	T	94.9	Very high	93.7	Very high	89 Å²	89	60.4 Å²	60.4	55%	0.546	33%	0.325	S	S	.	.			trans	-85.3	158.9	173.3	70.1	0	0	0	0	110.8	D33 A34 F35	T31-D33 VanDerWaalsContact C-N 3.29Å; T31-D33 PolarHBondContact O-N 3.07Å; T31-A34 PolarHBondContact O-N 3.4Å; T31-A34 WeakPolarHBondContact OG1-CB 3.48Å; T31-A34 PolarHBondContact OG1-N 3.24Å; T31-F35 VanDerWaalsContact O-CB 3.32Å; T31-F35 WeakPolarHBondContact O-CB 3.46Å; T31-F35 PolarHBondContact O-N 3.04Å
32	K	93	Very high	93.9	Very high	112 Å²	112	60.4 Å²	60.4	49%	0.487	33%	0.326	S	S	.	.	H	α-helix	trans	-56.4	-43.2	176.1	178.6	179.5	175.7	-142	0	112.4	F35 H36 Y594	K32-F35 PolarHBondContact O-N 3.46Å; K32-H36 PolarHBondContact O-CD2 3.32Å; K32-H36 PolarHBondContact O-N 2.93Å; K32-Y594 HydrophobicContact CB-CD1 4.42Å; K32-Y594 HydrophobicContact CB-CD2 3.92Å; K32-Y594 HydrophobicContact CB-CE1 4.22Å; K32-Y594 HydrophobicContact CB-CE2 3.71Å; K32-Y594 HydrophobicContact CB-CG 4.28Å; K32-Y594 HydrophobicContact CD-CE2 4.15Å; K32-Y594 HydrophobicContact CG-CE1 3.92Å; K32-Y594 HydrophobicContact CG-CE2 3.9Å
33	D	94	Very high	93.7	Very high	128 Å²	128	61.7 Å²	61.7	68%	0.684	33%	0.329	S	S	*	.	H	α-helix	trans	-72.1	-40.6	-175.4	-60.4	-22.5	0	0	0	111.2	T31 F35 G37	T31-D33 VanDerWaalsContact C-N 3.29Å; T31-D33 PolarHBondContact O-N 3.07Å; D33-F35 VanDerWaalsContact C-N 3.34Å; D33-G37 PolarHBondContact O-N 3.04Å
34	A	94.8	Very high	93.1	Very high	46 Å²	46	67.2 Å²	67.2	38%	0.38	35%	0.35	S	S	.	.	H	α-helix	trans	-63.6	-40.6	172.7	0	0	0	0	0	111.7	T30 T31 F38	T30-A34 WeakPolarHBondContact OG1-CB 3.49Å; T31-A34 PolarHBondContact O-N 3.4Å; T31-A34 WeakPolarHBondContact OG1-CB 3.48Å; T31-A34 PolarHBondContact OG1-N 3.24Å; A34-F38 WeakPolarHBondContact O-CB 3.41Å; A34-F38 PolarHBondContact O-N 3.46Å
35	F	95.7	Very high	92	Very high	5 Å²	5	69 Å²	69	2%	0.022	37%	0.371	C	S	.	.	H	α-helix	trans	-59.5	-52.4	177	179.4	-82.6	0	0	0	112.1	T30 T31 K32 D33 L39 Y594 Y595 M596 S603	T30-F35 HydrophobicContact CG2-CB 3.9Å; T30-F35 HydrophobicContact CG2-CD2 4.26Å; T31-F35 VanDerWaalsContact O-CB 3.32Å; T31-F35 WeakPolarHBondContact O-CB 3.46Å; T31-F35 PolarHBondContact O-N 3.04Å; K32-F35 PolarHBondContact O-N 3.46Å; D33-F35 VanDerWaalsContact C-N 3.34Å; F35-L39 HydrophobicContact CD1-CD1 4.02Å; F35-L39 HydrophobicContact CE1-CD1 3.34Å; F35-L39 HydrophobicContact CE1-CG 4.23Å; F35-L39 HydrophobicContact CZ-CD1 3.78Å; F35-L39 WeakPolarHBondContact O-CG 3.44Å; F35-L39 PolarHBondContact O-N 2.97Å; F35-Y594 HydrophobicContact CB-CD1 3.93Å; F35-Y594 AromaticContact CD1-CD1 3.98Å; F35-Y594 HydrophobicContact CD1-CD1 3.98Å; F35-Y594 HydrophobicContact CD1-CE1 4.22Å; F35-Y594 HydrophobicContact CD2-CD1 4.13Å; F35-Y594 AromaticContact CG-CD1 3.76Å; F35-Y594 HydrophobicContact CG-CD1 3.76Å; F35-Y594 HydrophobicContact CG-CE1 4.45Å; F35-Y595 VanDerWaalsContact CD2-O 3.29Å; F35-Y595 WeakPolarHBondContact CD2-O 3.34Å; F35-Y595 VanDerWaalsContact CE2-O 3.23Å; F35-Y595 WeakPolarHBondContact CE2-O 3.25Å; F35-M596 HydrophobicContact CB-CE 3.81Å; F35-M596 HydrophobicContact CD2-CE 2.97Å; F35-M596 HydrophobicContact CE2-CE 3.55Å; F35-M596 HydrophobicContact CG-CE 3.56Å; F35-S603 VanDerWaalsContact CZ-O 3.29Å; F35-S603 WeakPolarHBondContact CZ-O 3.33Å
36	H	93.7	Very high	90.4	Very high	41 Å²	41	68.2 Å²	68.2	19%	0.19	38%	0.375	C	S	.	.	H	α-helix	trans	-73.1	-35.9	-178.6	-70	-59.4	0	0	0	112.4	K32 F38 L39 D40 Y594	K32-H36 PolarHBondContact O-CD2 3.32Å; K32-H36 PolarHBondContact O-N 2.93Å; H36-F38 VanDerWaalsContact C-N 3.34Å; H36-F38 PolarHBondContact O-N 3.1Å; H36-L39 PolarHBondContact O-N 3.18Å; H36-D40 WeakPolarHBondContact O-CB 3.44Å; H36-D40 PolarHBondContact O-N 3.11Å; H36-Y594 AromaticContact NE2-CE1 3.8Å
37	G	92.9	Very high	88.6	Confident	40 Å²	40	67.5 Å²	67.5	41%	0.412	37%	0.37	S	S	.	.	H	α-helix	trans	-57.7	-45.2	173.3	0	0	0	0	0	112.3	D33 D40 S41	D33-G37 PolarHBondContact O-N 3.04Å; G37-D40 PolarHBondContact O-N 3.03Å; G37-S41 WeakPolarHBondContact O-CB 3.45Å; G37-S41 PolarHBondContact O-N 3.45Å; G37-S41 PolarHBondContact O-OG 2.94Å
38	F	94.5	Very high	85.9	Confident	63 Å²	63	63 Å²	63	28%	0.276	36%	0.36	S	S	.	.	H	α-helix	trans	-61.4	-45	174.9	171.6	-103	0	0	0	112.6	A34 H36 D40 S41 E42 M596 Y600	A34-F38 WeakPolarHBondContact O-CB 3.41Å; A34-F38 PolarHBondContact O-N 3.46Å; H36-F38 VanDerWaalsContact C-N 3.34Å; H36-F38 PolarHBondContact O-N 3.1Å; F38-D40 VanDerWaalsContact C-N 3.33Å; F38-D40 PolarHBondContact O-N 3.43Å; F38-S41 PolarHBondContact O-OG 3.28Å; F38-E42 HydrophobicContact CD2-CG 4.03Å; F38-E42 HydrophobicContact CE1-CG 4.42Å; F38-E42 HydrophobicContact CE2-CG 3.61Å; F38-E42 HydrophobicContact CZ-CG 3.84Å; F38-E42 WeakPolarHBondContact O-CB 3.4Å; F38-E42 WeakPolarHBondContact O-CG 3.49Å; F38-E42 PolarHBondContact O-N 2.63Å; F38-E42 VanDerWaalsContact O-N 3.15Å; F38-M596 HydrophobicContact CB-SD 4.09Å; F38-M596 HydrophobicContact CD1-CE 4.05Å; F38-M596 HydrophobicContact CD1-SD 3.34Å; F38-M596 WeakPolarHBondContact CD1-SD 3.37Å; F38-M596 HydrophobicContact CE1-SD 3.85Å; F38-M596 HydrophobicContact CG-SD 3.74Å; F38-Y600 HydrophobicContact CE1-CD2 4.16Å; F38-Y600 HydrophobicContact CZ-CD2 4.47Å
39	L	94.1	Very high	83.1	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-64.9	-38.5	-179.8	-70.2	-175.3	0	0	0	112.7	F35 H36 W43 Y600 L604	F35-L39 HydrophobicContact CD1-CD1 4.02Å; F35-L39 HydrophobicContact CE1-CD1 3.34Å; F35-L39 HydrophobicContact CE1-CG 4.23Å; F35-L39 HydrophobicContact CZ-CD1 3.78Å; F35-L39 WeakPolarHBondContact O-CG 3.44Å; F35-L39 PolarHBondContact O-N 2.97Å; H36-L39 PolarHBondContact O-N 3.18Å; L39-W43 VanDerWaalsContact O-CB 3.26Å; L39-W43 WeakPolarHBondContact O-CB 3.26Å; L39-W43 PolarHBondContact O-N 3.09Å; L39-W43 VanDerWaalsContact O-N 3.13Å; L39-Y600 HydrophobicContact CD2-CD2 4.01Å; L39-Y600 HydrophobicContact CD2-CE2 3.77Å; L39-L604 HydrophobicContact CD1-CD1 4.41Å; L39-L604 HydrophobicContact CD2-CB 4.12Å; L39-L604 HydrophobicContact CD2-CD1 4.3Å
40	D	91.9	Very high	80.2	Confident	64 Å²	64	75.8 Å²	75.8	34%	0.342	42%	0.416	S	S	.	.	H	α-helix	trans	-73.3	-39.4	-179.8	-71.9	-20.3	0	0	0	112.1	H36 G37 F38 Q44 R615	H36-D40 WeakPolarHBondContact O-CB 3.44Å; H36-D40 PolarHBondContact O-N 3.11Å; G37-D40 PolarHBondContact O-N 3.03Å; F38-D40 VanDerWaalsContact C-N 3.33Å; F38-D40 PolarHBondContact O-N 3.43Å; D40-Q44 WeakPolarHBondContact O-CB 3.42Å; D40-Q44 VanDerWaalsContact O-CG 3.29Å; D40-Q44 WeakPolarHBondContact O-CG 3.42Å; D40-Q44 PolarHBondContact O-N 2.82Å; D40-R615 IonicContact OD1-CZ 3.91Å; D40-R615 IonicContact OD1-NH1 3.97Å; D40-R615 PolarHBondContact OD1-NH1 3.44Å; D40-R615 IonicContact OD1-NH2 3.32Å; D40-R615 PolarHBondContact OD1-NH2 2.98Å
41	S	91.8	Very high	77.1	Confident	65 Å²	65	78 Å²	78	46%	0.455	43%	0.432	S	S	.	.	H	α-helix	trans	-64	-47.6	177.4	62.8	0	0	0	0	112.2	G37 F38 Q44 G45	G37-S41 WeakPolarHBondContact O-CB 3.45Å; G37-S41 PolarHBondContact O-N 3.45Å; G37-S41 PolarHBondContact O-OG 2.94Å; F38-S41 PolarHBondContact O-OG 3.28Å; S41-Q44 PolarHBondContact O-N 2.82Å; S41-G45 PolarHBondContact O-N 2.84Å
42	E	90.6	Very high	74	Confident	92 Å²	92	77.8 Å²	77.8	43%	0.43	44%	0.44	S	S	.	.	H	α-helix	trans	-65.7	-40.1	179.3	-71.4	-67.2	136.4	0	0	111.6	F38 G45 S46 Y600	F38-E42 HydrophobicContact CD2-CG 4.03Å; F38-E42 HydrophobicContact CE1-CG 4.42Å; F38-E42 HydrophobicContact CE2-CG 3.61Å; F38-E42 HydrophobicContact CZ-CG 3.84Å; F38-E42 WeakPolarHBondContact O-CB 3.4Å; F38-E42 WeakPolarHBondContact O-CG 3.49Å; F38-E42 PolarHBondContact O-N 2.63Å; F38-E42 VanDerWaalsContact O-N 3.15Å; E42-G45 PolarHBondContact O-N 3.28Å; E42-S46 PolarHBondContact O-N 3.43Å; E42-Y600 HydrophobicContact CB-CD2 3.28Å; E42-Y600 HydrophobicContact CB-CE2 3.45Å; E42-Y600 VanDerWaalsContact CB-CE2 3.45Å; E42-Y600 HydrophobicContact CB-CG 4Å; E42-Y600 HydrophobicContact CG-CD2 3.77Å; E42-Y600 HydrophobicContact CG-CE2 4.37Å; E42-Y600 HydrophobicContact CG-CG 4.4Å
43	W	85.9	Confident	71.1	Confident	33 Å²	33	80.8 Å²	80.8	13%	0.125	46%	0.456	C	S	.	.	H	α-helix	trans	-64.7	-43.1	177.3	-175.2	-111.2	0	0	0	112.1	L39 S46 K47 Y600 R615 M619	L39-W43 VanDerWaalsContact O-CB 3.26Å; L39-W43 WeakPolarHBondContact O-CB 3.26Å; L39-W43 PolarHBondContact O-N 3.09Å; L39-W43 VanDerWaalsContact O-N 3.13Å; W43-S46 PolarHBondContact O-N 3.02Å; W43-S46 PolarHBondContact O-OG 3.34Å; W43-K47 PolarHBondContact O-N 3.03Å; W43-Y600 VanDerWaalsContact CE3-OH 3.28Å; W43-R615 HydrophobicContact CD2-CG 4.07Å; W43-R615 HydrophobicContact CE3-CB 4.4Å; W43-R615 HydrophobicContact CE3-CG 4.42Å; W43-R615 HydrophobicContact CH2-CB 3.79Å; W43-R615 HydrophobicContact CH2-CG 4.05Å; W43-R615 HydrophobicContact CZ2-CB 3.96Å; W43-R615 HydrophobicContact CZ2-CG 3.68Å; W43-R615 HydrophobicContact CZ3-CB 4.04Å; W43-R615 HydrophobicContact CZ3-CG 4.42Å; W43-M619 HydrophobicContact CE3-CE 4.38Å; W43-M619 HydrophobicContact CH2-CE 4.46Å; W43-M619 HydrophobicContact CZ3-CE 3.6Å
44	Q	81.6	Confident	68.1	Low	140 Å²	140	81.9 Å²	81.9	65%	0.654	46%	0.462	S	S	*	.	H	α-helix	trans	-65.3	-41.6	176.6	-72.4	176.7	8.4	0	0	111.7	D40 S41 S46 K47 G48	D40-Q44 WeakPolarHBondContact O-CB 3.42Å; D40-Q44 VanDerWaalsContact O-CG 3.29Å; D40-Q44 WeakPolarHBondContact O-CG 3.42Å; D40-Q44 PolarHBondContact O-N 2.82Å; S41-Q44 PolarHBondContact O-N 2.82Å; Q44-S46 VanDerWaalsContact C-N 3.3Å; Q44-S46 PolarHBondContact O-N 3.24Å; Q44-K47 PolarHBondContact O-N 3.22Å; Q44-K47 VanDerWaalsContact O-N 3.15Å; Q44-G48 PolarHBondContact O-N 2.97Å
45	G	70.6	Confident	65	Low	45 Å²	45	88.9 Å²	88.9	46%	0.464	49%	0.487	S	S	.	.	H	α-helix	trans	-56.6	-43.1	173.2	0	0	0	0	0	112.5	S41 E42 K47 G48 E49	S41-G45 PolarHBondContact O-N 2.84Å; E42-G45 PolarHBondContact O-N 3.28Å; G45-K47 VanDerWaalsContact C-N 3.28Å; G45-K47 PolarHBondContact O-N 3.12Å; G45-G48 PolarHBondContact O-N 3.13Å; G45-E49 PolarHBondContact O-N 2.8Å
46	S	61.6	Low	61.7	Low	60 Å²	60	95.5 Å²	95.5	42%	0.42	53%	0.527	S	S	.	.	H	α-helix	trans	-66.8	-24	178.4	76.9	0	0	0	0	114.7	E42 W43 Q44	E42-S46 PolarHBondContact O-N 3.43Å; W43-S46 PolarHBondContact O-N 3.02Å; W43-S46 PolarHBondContact O-OG 3.34Å; Q44-S46 VanDerWaalsContact C-N 3.3Å; Q44-S46 PolarHBondContact O-N 3.24Å
47	K	55.9	Low	58.7	Low	114 Å²	114	99.1 Å²	99.1	50%	0.496	56%	0.555	S	S	.	*	H	α-helix	trans	-86.8	-32.3	172.7	-72.4	-168.5	176	-172.6	0	112.1	W43 Q44 G45 E49 K50 S51	W43-K47 PolarHBondContact O-N 3.03Å; Q44-K47 PolarHBondContact O-N 3.22Å; Q44-K47 VanDerWaalsContact O-N 3.15Å; G45-K47 VanDerWaalsContact C-N 3.28Å; G45-K47 PolarHBondContact O-N 3.12Å; K47-E49 VanDerWaalsContact C-N 3.28Å; K47-E49 PolarHBondContact O-N 3.27Å; K47-K50 PolarHBondContact O-N 3.05Å; K47-K50 VanDerWaalsContact O-N 3.09Å; K47-S51 PolarHBondContact O-N 2.91Å; K47-S51 PolarHBondContact O-OG 3.25Å
48	G	38.1	Very low	55.6	Low	41 Å²	41	106.9 Å²	106.9	42%	0.423	58%	0.58	S	S	.	*	H	α-helix	trans	-62.5	-27	-179.3	0	0	0	0	0	114.8	Q44 G45	Q44-G48 PolarHBondContact O-N 2.97Å; G45-G48 PolarHBondContact O-N 3.13Å
49	E	37.1	Very low	52.5	Low	178 Å²	178	111.5 Å²	111.5	83%	0.832	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-15.2	174.6	-74.5	-175.4	159.5	0	0	114	G45 K47	G45-E49 PolarHBondContact O-N 2.8Å; K47-E49 VanDerWaalsContact C-N 3.28Å; K47-E49 PolarHBondContact O-N 3.27Å
50	K	35.9	Very low	49.2	Very low	197 Å²	197	121.6 Å²	121.6	86%	0.857	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.8	-4.2	179.7	-76.8	-172.2	176.7	-177.9	0	114.6	K47	K47-K50 PolarHBondContact O-N 3.05Å; K47-K50 VanDerWaalsContact O-N 3.09Å
51	S	30.6	Very low	45.9	Very low	84 Å²	84	126.7 Å²	126.7	59%	0.587	67%	0.666	S	S	*	*			trans	-132	36	-175.5	65.9	0	0	0	0	112.8	K47 E53	K47-S51 PolarHBondContact O-N 2.91Å; K47-S51 PolarHBondContact O-OG 3.25Å; S51-E53 VanDerWaalsContact C-N 3.35Å
52	A	29.2	Very low	42.7	Very low	86 Å²	86	130.7 Å²	130.7	71%	0.711	68%	0.682	S	S	*	*			trans	-98.2	34.7	174.5	0	0	0	0	0	112.3
53	E	32.2	Very low	39.7	Very low	175 Å²	175	131.1 Å²	131.1	82%	0.818	69%	0.693	S	S	*	*	S	Bend	trans	-139.1	116	157.2	-73.1	-169.8	169.9	0	0	108.2	S51	S51-E53 VanDerWaalsContact C-N 3.35Å
54	N	32	Very low	36.9	Very low	151 Å²	151	134.5 Å²	134.5	81%	0.807	72%	0.722	S	S	*	*	S	Bend	trans	76.5	93.8	179.9	-54.7	-32.1	0	0	0	116.5
55	E	29.3	Very low	34.2	Very low	193 Å²	193	134.6 Å²	134.6	90%	0.902	73%	0.732	S	S	*	*				-179.5	133.1	110.9	-94.7	172.6	-171.8	0	0	111.3
56	T	25.3	Very low	32	Very low	143 Å²	143	139.3 Å²	139.3	88%	0.877	75%	0.746	S	S	*	*			trans	-74.7	145.2	178.1	2.1	0	0	0	0	111.4
57	P	31.4	Very low	30.4	Very low	118 Å²	118	145.6 Å²	145.6	77%	0.766	77%	0.769	S	S	*	*			trans	-87.9	136.4	-173	32.1	-30.6	0	0	0	112.8
58	Q	27.3	Very low	28.9	Very low	202 Å²	202	146.2 Å²	146.2	94%	0.944	79%	0.785	S	S	*	*			trans	-124.4	110.4	155.1	-92.7	-171.8	-13.2	0	0	110.5
59	E	29.2	Very low	28.3	Very low	160 Å²	160	153.8 Å²	153.8	75%	0.748	81%	0.809	S	S	*	*			trans	-65.3	143.2	169.5	-67.1	-178.2	127.6	0	0	112.1
60	K	24.8	Very low	27.6	Very low	213 Å²	213	151 Å²	151	93%	0.926	81%	0.808	S	S	*	*			trans	-141.5	116.3	135	-75.6	-165.1	178.2	175.3	0	110.1
61	K	24.3	Very low	27	Very low	171 Å²	171	151.5 Å²	151.5	74%	0.743	81%	0.81	S	S	*	*			trans	-75.6	148	168.6	-77.7	174.4	173.5	169.2	0	111.4
62	D	23.9	Very low	26.7	Very low	148 Å²	148	157 Å²	157	79%	0.791	82%	0.823	S	S	*	*				155.3	160.7	123.8	-96.9	-11.3	0	0	0	112.2
63	P	27.9	Very low	26.5	Very low	102 Å²	102	158 Å²	158	66%	0.662	83%	0.825	S	S	*	*			cis	-130.6	174	-46	32.8	-14.1	0	0	0	112.1
64	S	26.7	Very low	25.9	Very low	104 Å²	104	158.9 Å²	158.9	73%	0.727	83%	0.826	S	S	*	*			trans	-47.8	142.3	172.5	51.3	0	0	0	0	115.1
65	V	24.9	Very low	25.6	Very low	142 Å²	142	158.8 Å²	158.8	86%	0.861	83%	0.825	S	S	*	*			trans	-134	115.5	159.4	-174.3	0	0	0	0	109.1
66	D	24.4	Very low	25.3	Very low	144 Å²	144	155.9 Å²	155.9	77%	0.77	82%	0.816	S	S	*	*			trans	-57.2	150.5	178.4	-67.2	-59.5	0	0	0	114.2
67	E	27.3	Very low	25.3	Very low	191 Å²	191	156.6 Å²	156.6	89%	0.893	81%	0.809	S	S	*	*			trans	-67.6	146.1	164	-64.8	-170.3	142.6	0	0	111.2
68	P	26	Very low	25	Very low	128 Å²	128	158.6 Å²	158.6	83%	0.831	81%	0.808	S	S	*	*			trans	-109.2	133.5	158.7	32.7	-23.4	0	0	0	112.4
69	E	25.7	Very low	24.8	Very low	200 Å²	200	155.6 Å²	155.6	94%	0.935	80%	0.798	S	S	*	*			trans	-64.4	165.9	178.4	-68.7	-177	141.5	0	0	115.5
70	C	22.4	Very low	24.7	Very low	119 Å²	119	153.3 Å²	153.3	80%	0.804	80%	0.795	S	S	*	*			trans	-88.2	136	-175	178.6	0	0	0	0	113.8
71	K	22.4	Very low	24.7	Very low	208 Å²	208	152.2 Å²	152.2	90%	0.904	79%	0.79	S	S	*	*			trans	-138.9	137.5	157.5	-83.5	-174.6	178.8	172.6	0	112.6
72	K	25.2	Very low	25.1	Very low	198 Å²	198	154.3 Å²	154.3	86%	0.861	80%	0.799	S	S	*	*			trans	-69.3	147.5	171.2	-63.9	173.1	176.2	172.9	0	109.4
73	S	22.9	Very low	25.2	Very low	108 Å²	108	153.6 Å²	153.6	76%	0.755	80%	0.8	S	S	*	*				169.3	157.6	70.2	53	0	0	0	0	112.4
74	K	20.8	Very low	25.4	Very low	194 Å²	194	158.5 Å²	158.5	84%	0.843	81%	0.814	S	S	*	*			trans	61.5	129.1	152.9	-72.2	-177.6	177	-178.4	0	124.1
75	L	24.4	Very low	25.3	Very low	148 Å²	148	162.7 Å²	162.7	78%	0.775	82%	0.82	S	S	*	*			trans	3.2	147.5	144.3	-60.8	157.7	0	0	0	117.9
76	D	24.3	Very low	25.5	Very low	133 Å²	133	167.9 Å²	167.9	71%	0.711	82%	0.824	S	S	*	*			cis	-166.7	171.8	16.8	-107.8	-29.1	0	0	0	110.1
77	H	24.3	Very low	25.6	Very low	158 Å²	158	167.1 Å²	167.1	73%	0.731	82%	0.82	S	S	*	*			trans	79.9	125.7	159.1	-91.6	-79.4	0	0	0	123.7
78	E	25	Very low	25.8	Very low	160 Å²	160	167.7 Å²	167.7	75%	0.748	82%	0.819	S	S	*	*			trans	10.8	143.2	147.9	-57.4	-175.1	157.7	0	0	119.2
79	D	24.3	Very low	26.1	Very low	138 Å²	138	169.1 Å²	169.1	74%	0.738	81%	0.812	S	S	*	*			cis	-174.6	160.7	29.7	-142.9	-19.5	0	0	0	110.7
80	V	26.4	Very low	26.5	Very low	112 Å²	112	170 Å²	170	68%	0.679	81%	0.807	S	S	*	*			trans	56.8	113.4	160	-152.6	0	0	0	0	122.3
81	K	25.3	Very low	27.2	Very low	190 Å²	190	169.9 Å²	169.9	83%	0.826	79%	0.793	S	S	*	*				174.8	119.1	110.2	-94.5	-176.7	-177.5	172.6	0	112.4	T83	K81-T83 PolarHBondContact O-N 3.3Å
82	K	31.6	Very low	27.7	Very low	216 Å²	216	169 Å²	169	94%	0.939	78%	0.784	S	S	*	*			trans	-62	121.8	171.6	-78	175.3	175.6	173.7	0	110.6
83	T	26.2	Very low	28.7	Very low	133 Å²	133	160.2 Å²	160.2	82%	0.816	75%	0.75	S	S	*	*			trans	-137.1	127.4	154.3	11.2	0	0	0	0	108.4	K81 K85	K81-T83 PolarHBondContact O-N 3.3Å; T83-K85 PolarHBondContact O-N 2.65Å; T83-K85 VanDerWaalsContact O-N 3.15Å
84	E	33.7	Very low	29.9	Very low	204 Å²	204	161.2 Å²	161.2	95%	0.953	74%	0.743	S	S	*	*			trans	-61.9	108.4	-174.9	-64.3	178.6	148.3	0	0	111.2
85	K	24.9	Very low	31.1	Very low	193 Å²	193	157.5 Å²	157.5	84%	0.839	73%	0.732	S	S	*	*			trans	-107.3	123.9	162.4	-83.6	-178.5	176.8	174.8	0	108.6	T83 D87	T83-K85 PolarHBondContact O-N 2.65Å; T83-K85 VanDerWaalsContact O-N 3.15Å; K85-D87 PolarHBondContact O-N 3.31Å
86	R	27.3	Very low	32	Very low	251 Å²	251	158.1 Å²	158.1	95%	0.947	73%	0.729	S	S	*	*			trans	-53.8	106	166.1	-81.8	177.2	169.3	175.2	-3.5	108.5	K88	R86-K88 PolarHBondContact O-N 2.78Å
87	D	26.6	Very low	32.9	Very low	128 Å²	128	157.1 Å²	157.1	68%	0.684	73%	0.732	S	S	*	*			trans	-55.7	101.7	173.3	-96.4	-20.3	0	0	0	109.8	K85 K89	K85-D87 PolarHBondContact O-N 3.31Å; D87-K89 HydrophobicContact CB-CG 4.38Å; D87-K89 PolarHBondContact O-N 2.74Å
88	K	32.9	Very low	34.3	Very low	203 Å²	203	154.7 Å²	154.7	88%	0.883	72%	0.717	S	S	*	*			trans	-69.1	73	154.3	-78.7	-175.5	178.6	178.1	0	107.4	R86 R90	R86-K88 PolarHBondContact O-N 2.78Å; K88-R90 PolarHBondContact O-N 3.39Å
89	K	31.3	Very low	35.4	Very low	158 Å²	158	149.8 Å²	149.8	69%	0.687	70%	0.699	S	S	*	*			trans	-61.4	105.1	172.1	-105.2	174.4	-177.8	162	0	108.1	D87 F91	D87-K89 HydrophobicContact CB-CG 4.38Å; D87-K89 PolarHBondContact O-N 2.74Å; K89-F91 PolarHBondContact O-N 2.93Å; K89-F91 VanDerWaalsContact O-N 3.09Å
90	R	34.2	Very low	36.4	Very low	219 Å²	219	150.6 Å²	150.6	83%	0.826	70%	0.698	S	S	*	*			trans	-53.3	115	168.8	-79.9	177.4	160.6	173.1	-7.3	108.8	K88 R92	K88-R90 PolarHBondContact O-N 3.39Å; R90-R92 PolarHBondContact O-N 3.27Å
91	F	36.4	Very low	37.5	Very low	115 Å²	115	149.3 Å²	149.3	50%	0.504	69%	0.686	S	S	.	*			trans	-62.4	104	176	-67.9	-77	0	0	0	109.8	K89 P99 L631	K89-F91 PolarHBondContact O-N 2.93Å; K89-F91 VanDerWaalsContact O-N 3.09Å; F91-P99 HydrophobicContact CD1-CG 4.17Å; F91-P99 HydrophobicContact CE1-CB 4.3Å; F91-P99 VanDerWaalsContact CE1-CD 3.45Å; F91-P99 HydrophobicContact CE1-CG 3.68Å; F91-P99 HydrophobicContact CZ-CG 4.08Å; F91-L631 HydrophobicContact CB-CD2 3.77Å; F91-L631 HydrophobicContact CG-CD2 4.49Å
92	R	33.2	Very low	38.5	Very low	189 Å²	189	147.7 Å²	147.7	71%	0.713	68%	0.679	S	S	*	*			trans	-92.6	121.8	176	-79	-176.5	167.1	179.3	-2.9	109.4	R90 Q94	R90-R92 PolarHBondContact O-N 3.27Å; R92-Q94 PolarHBondContact O-N 3.41Å
93	G	46.1	Very low	39.5	Very low	15 Å²	15	140.2 Å²	140.2	16%	0.155	65%	0.653	C	S	.	*	S	Bend	trans	-70.2	105.3	176.2	0	0	0	0	0	111.3
94	Q	48	Very low	40.4	Very low	129 Å²	129	139.8 Å²	139.8	60%	0.603	65%	0.65	S	S	*	*	S	Bend	trans	-172.2	72.6	154.1	-132.4	-173.6	18.9	0	0	108.8	R92 K96	R92-Q94 PolarHBondContact O-N 3.41Å; Q94-K96 WeakPolarHBondContact O-CG 3.38Å; Q94-K96 PolarHBondContact O-N 3.4Å
95	N	47.6	Very low	41.2	Very low	116 Å²	116	134.5 Å²	134.5	62%	0.62	63%	0.632	S	S	*	*	S	Bend	trans	44.1	4.9	177.5	-80	-8.5	0	0	0	118.7
96	K	42.5	Very low	42.7	Very low	160 Å²	160	128.2 Å²	128.2	70%	0.696	60%	0.603	S	S	*	*	S	Bend	trans	-107.7	118	-177.7	-71.3	179.8	-177.9	-179.7	0	106.4	Q94 R98	Q94-K96 WeakPolarHBondContact O-CG 3.38Å; Q94-K96 PolarHBondContact O-N 3.4Å; K96-R98 VanDerWaalsContact C-N 3.31Å; K96-R98 PolarHBondContact O-N 3Å
97	S	44.3	Very low	44.3	Very low	113 Å²	113	117.7 Å²	117.7	79%	0.79	57%	0.565	S	S	*	*	S	Bend	trans	61.5	30.9	173.7	-41.8	0	0	0	0	115.2
98	R	52	Low	45.9	Very low	106 Å²	106	120 Å²	120	40%	0.4	57%	0.572	S	S	.	*			trans	-66.8	127.4	164.2	-167.5	177.7	-166	-129.2	14.8	106.8	K96 H100 E567 L631	K96-R98 VanDerWaalsContact C-N 3.31Å; K96-R98 PolarHBondContact O-N 3Å; R98-H100 PolarHBondContact O-N 3.25Å; R98-E567 IonicContact NH2-OE1 2.79Å; R98-L631 HydrophobicContact CG-CD2 4.47Å; R98-L631 PolarHBondContact NE-O 3.39Å; R98-L631 PolarHBondContact NH2-O 3.34Å
99	P	49.2	Very low	47.8	Very low	57 Å²	57	115.8 Å²	115.8	37%	0.37	55%	0.553	S	S	.	*			trans	-58.4	132.3	174.9	22.2	-26.6	0	0	0	106.8	F91 I101	F91-P99 HydrophobicContact CD1-CG 4.17Å; F91-P99 HydrophobicContact CE1-CB 4.3Å; F91-P99 VanDerWaalsContact CE1-CD 3.45Å; F91-P99 HydrophobicContact CE1-CG 3.68Å; F91-P99 HydrophobicContact CZ-CG 4.08Å; P99-I101 PolarHBondContact O-N 3.32Å
100	H	44.8	Very low	50.2	Low	156 Å²	156	112.6 Å²	112.6	72%	0.722	54%	0.537	S	S	*	.			trans	-67.4	91.4	170	-172.6	-50.2	0	0	0	105.9	R98 K102	R98-H100 PolarHBondContact O-N 3.25Å; H100-K102 WeakPolarHBondContact CE1-CG 3.49Å; H100-K102 VanDerWaalsContact ND1-CG 3.29Å; H100-K102 WeakPolarHBondContact ND1-CG 3.35Å; H100-K102 PolarHBondContact ND1-N 3.15Å; H100-K102 PolarHBondContact O-N 2.68Å
101	I	49.9	Very low	52.7	Low	85 Å²	85	102.5 Å²	102.5	44%	0.436	50%	0.499	S	S	.	.			trans	-67.9	86.1	168.1	-57.3	171	0	0	0	104.3	P99 P103	P99-I101 PolarHBondContact O-N 3.32Å; I101-P103 VanDerWaalsContact O-CD 3.24Å; I101-P103 WeakPolarHBondContact O-CD 3.5Å
102	K	45.5	Very low	55.1	Low	155 Å²	155	97.3 Å²	97.3	67%	0.674	48%	0.477	S	S	*	.			trans	-65.2	116.2	152.6	-73.9	-171	-179.8	177.6	0	102.3	H100 T104	H100-K102 WeakPolarHBondContact CE1-CG 3.49Å; H100-K102 VanDerWaalsContact ND1-CG 3.29Å; H100-K102 WeakPolarHBondContact ND1-CG 3.35Å; H100-K102 PolarHBondContact ND1-N 3.15Å; H100-K102 PolarHBondContact O-N 2.68Å; K102-T104 VanDerWaalsContact C-N 3.3Å; K102-T104 PolarHBondContact O-N 3.19Å
103	P	52.3	Low	57.4	Low	59 Å²	59	93.6 Å²	93.6	38%	0.383	47%	0.471	S	S	.	.			trans	-56.6	109.6	168.9	19.8	-25.9	0	0	0	106.1	I101 T105 Y106	I101-P103 VanDerWaalsContact O-CD 3.24Å; I101-P103 WeakPolarHBondContact O-CD 3.5Å; P103-T105 VanDerWaalsContact C-N 3.31Å; P103-T105 PolarHBondContact O-N 2.68Å; P103-Y106 HydrophobicContact CB-CD1 4.37Å; P103-Y106 HydrophobicContact CB-CD2 3.84Å; P103-Y106 HydrophobicContact CB-CE1 3.72Å; P103-Y106 HydrophobicContact CB-CE2 3.15Å; P103-Y106 HydrophobicContact CB-CG 4.42Å; P103-Y106 WeakPolarHBondContact CB-OH 3.34Å; P103-Y106 HydrophobicContact CG-CD2 4.02Å; P103-Y106 HydrophobicContact CG-CE2 3.17Å; P103-Y106 WeakPolarHBondContact CG-OH 3.41Å
104	T	45.4	Very low	59.1	Low	124 Å²	124	94 Å²	94	76%	0.761	47%	0.472	S	S	*	.			trans	-57.8	104.1	170.5	36.7	0	0	0	0	104.8	K102 Y106	K102-T104 VanDerWaalsContact C-N 3.3Å; K102-T104 PolarHBondContact O-N 3.19Å; T104-Y106 PolarHBondContact O-N 2.98Å
105	T	51.6	Low	60.7	Low	94 Å²	94	89.9 Å²	89.9	58%	0.577	46%	0.455	S	S	*	.			trans	39.8	79.4	161.1	37.7	0	0	0	0	114.5	P103 E107	P103-T105 VanDerWaalsContact C-N 3.31Å; P103-T105 PolarHBondContact O-N 2.68Å; T105-E107 PolarHBondContact O-N 3.45Å; T105-E107 VanDerWaalsContact O-N 3.08Å
106	Y	55.6	Low	62	Low	60 Å²	60	86 Å²	86	24%	0.235	43%	0.434	C	S	.	.	S	Bend	trans	-53	-29.1	170.2	-67.4	-65.9	0	0	0	112.2	P103 T104 T555 R556 E559	P103-Y106 HydrophobicContact CB-CD1 4.37Å; P103-Y106 HydrophobicContact CB-CD2 3.84Å; P103-Y106 HydrophobicContact CB-CE1 3.72Å; P103-Y106 HydrophobicContact CB-CE2 3.15Å; P103-Y106 HydrophobicContact CB-CG 4.42Å; P103-Y106 WeakPolarHBondContact CB-OH 3.34Å; P103-Y106 HydrophobicContact CG-CD2 4.02Å; P103-Y106 HydrophobicContact CG-CE2 3.17Å; P103-Y106 WeakPolarHBondContact CG-OH 3.41Å; T104-Y106 PolarHBondContact O-N 2.98Å; Y106-T555 WeakPolarHBondContact O-CG2 3.44Å; Y106-R556 HydrophobicContact CD2-CB 4.06Å; Y106-R556 HydrophobicContact CD2-CG 3.74Å; Y106-R556 HydrophobicContact CE2-CG 3.95Å; Y106-R556 HydrophobicContact CG-CB 4.44Å; Y106-E559 HydrophobicContact CD1-CB 3.93Å; Y106-E559 HydrophobicContact CD1-CG 3.91Å; Y106-E559 HydrophobicContact CE1-CB 3.3Å; Y106-E559 HydrophobicContact CE1-CG 3.67Å
107	E	60.3	Low	63.3	Low	31 Å²	31	84.3 Å²	84.3	15%	0.145	43%	0.428	C	S	.	.			trans	-146.9	131.3	167.4	-67.2	172.9	-172.2	0	0	107	T105 K109 R110 T555	T105-E107 PolarHBondContact O-N 3.45Å; T105-E107 VanDerWaalsContact O-N 3.08Å; E107-K109 PolarHBondContact O-N 3.4Å; E107-R110 HydrophobicContact CB-CG 4.33Å; E107-T555 WeakPolarHBondContact OE1-CB 3.47Å; E107-T555 PolarHBondContact OE1-OG1 3.01Å
108	E	61.4	Low	64.1	Low	177 Å²	177	85.1 Å²	85.1	83%	0.827	42%	0.418	S	S	*	.	S	Bend	trans	-66.3	-29.9	177.6	-68.4	-175.6	168.3	0	0	111.7
109	K	71.4	Confident	64.2	Low	113 Å²	113	86.4 Å²	86.4	49%	0.491	43%	0.433	S	S	.	.	S	Bend	trans	-145.1	132.3	171.9	-80.4	179.6	-179.6	175.6	0	109.8	E107 Y131	E107-K109 PolarHBondContact O-N 3.4Å; K109-Y131 HydrophobicContact CB-CD2 3.6Å; K109-Y131 HydrophobicContact CB-CE2 3.24Å; K109-Y131 HydrophobicContact CD-CE1 4.06Å; K109-Y131 HydrophobicContact CD-CE2 3.98Å; K109-Y131 HydrophobicContact CG-CE2 4.27Å
110	R	83.3	Confident	64.7	Low	91 Å²	91	86.5 Å²	86.5	34%	0.343	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-94.4	159.1	177.7	-58.6	-171.9	177.5	138.8	11.4	111.2	E107 F130 Y131	E107-R110 HydrophobicContact CB-CG 4.33Å; R110-F130 HydrophobicContact CB-CD1 3.82Å; R110-F130 HydrophobicContact CB-CE1 4.08Å; R110-F130 CarbonylContact O-C 3.56Å; R110-F130 WeakPolarHBondContact O-CA 3.27Å; R110-F130 VanDerWaalsContact O-CB 3.31Å; R110-F130 WeakPolarHBondContact O-CB 3.3Å; R110-Y131 PolarHBondContact O-N 3.41Å
111	L	85.9	Confident	66.2	Low	7 Å²	7	88.1 Å²	88.1	4%	0.037	45%	0.451	C	S	.	.	B	Isolated β-bridge	trans	-67.3	140.4	168.1	-164.6	66.6	0	0	0	110.7	V115 I116 V134 Y137 L162	L111-V115 HydrophobicContact CD1-CB 4.43Å; L111-V115 HydrophobicContact CD1-CG1 4.04Å; L111-V115 HydrophobicContact CD2-CG1 4.06Å; L111-V115 HydrophobicContact CG-CB 4.22Å; L111-V115 HydrophobicContact CG-CG1 4.09Å; L111-I116 HydrophobicContact CB-CD1 4.22Å; L111-I116 HydrophobicContact CB-CG1 4.26Å; L111-I116 HydrophobicContact CD2-CG1 3.78Å; L111-I116 HydrophobicContact CG-CG1 4.12Å; L111-V134 HydrophobicContact CD1-CG2 4.46Å; L111-Y137 HydrophobicContact CB-CD1 4.17Å; L111-Y137 HydrophobicContact CB-CD2 4.15Å; L111-Y137 HydrophobicContact CB-CE1 4.17Å; L111-Y137 HydrophobicContact CB-CE2 4.15Å; L111-Y137 HydrophobicContact CB-CG 4.16Å; L111-Y137 HydrophobicContact CD1-CD1 4.08Å; L111-Y137 HydrophobicContact CD1-CG 3.93Å; L111-Y137 HydrophobicContact CD2-CD1 4.11Å; L111-Y137 HydrophobicContact CD2-CE1 4.27Å; L111-Y137 HydrophobicContact CG-CD1 4.37Å; L111-Y137 HydrophobicContact CG-CG 4.5Å; L111-L162 HydrophobicContact CD2-CB 4.13Å; L111-L162 HydrophobicContact CD2-CD1 4.33Å
112	C	86.1	Confident	67.7	Low	7 Å²	7	85.2 Å²	85.2	5%	0.047	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-65.3	139.5	-179.9	-171.2	0	0	0	0	111.1	S114 V115 I116 F130 Y131 H132	C112-S114 PolarHBondContact O-N 3.25Å; C112-S114 PolarHBondContact SG-OG 3.37Å; C112-V115 HydrophobicContact CB-CG2 4.05Å; C112-V115 WeakPolarHBondContact O-CB 3.43Å; C112-V115 PolarHBondContact O-N 2.82Å; C112-I116 PolarHBondContact O-N 2.78Å; C112-I116 VanDerWaalsContact O-N 3.1Å; C112-F130 HydrophobicContact CB-CB 3.79Å; C112-Y131 VanDerWaalsContact CB-O 3.3Å; C112-Y131 WeakPolarHBondContact CB-O 3.48Å; C112-Y131 PolarHBondContact N-O 3.42Å; C112-H132 PolarHBondContact SG-NE2 2.92Å; C112-H132 VanDerWaalsContact SG-NE2 3.43Å
113	L	81.9	Confident	69.5	Low	111 Å²	111	87.7 Å²	87.7	58%	0.581	45%	0.449	S	S	*	.	H	α-helix	trans	-59.7	-33	179.4	-77.1	168.2	0	0	0	112.8	V115 I116 Q117	L113-V115 VanDerWaalsContact C-N 3.25Å; L113-V115 PolarHBondContact O-N 2.87Å; L113-I116 PolarHBondContact O-N 3.09Å; L113-Q117 WeakPolarHBondContact O-CB 3.45Å; L113-Q117 PolarHBondContact O-N 2.68Å
114	S	81.6	Confident	71.1	Confident	24 Å²	24	91.7 Å²	91.7	17%	0.168	46%	0.461	C	S	.	.	H	α-helix	trans	-65.1	-32	177.1	61.2	0	0	0	0	112.2	C112 G120	C112-S114 PolarHBondContact O-N 3.25Å; C112-S114 PolarHBondContact SG-OG 3.37Å; S114-G120 WeakPolarHBondContact CB-O 3.42Å
115	V	81.3	Confident	72.9	Confident	42 Å²	42	87.5 Å²	87.5	26%	0.255	44%	0.442	S	S	.	.	H	α-helix	trans	-75.2	-39.1	175.4	-179.2	0	0	0	0	110.9	L111 C112 L113 V134	L111-V115 HydrophobicContact CD1-CB 4.43Å; L111-V115 HydrophobicContact CD1-CG1 4.04Å; L111-V115 HydrophobicContact CD2-CG1 4.06Å; L111-V115 HydrophobicContact CG-CB 4.22Å; L111-V115 HydrophobicContact CG-CG1 4.09Å; C112-V115 HydrophobicContact CB-CG2 4.05Å; C112-V115 WeakPolarHBondContact O-CB 3.43Å; C112-V115 PolarHBondContact O-N 2.82Å; L113-V115 VanDerWaalsContact C-N 3.25Å; L113-V115 PolarHBondContact O-N 2.87Å; V115-V134 HydrophobicContact CG1-CG2 3.62Å
116	I	76.7	Confident	74.3	Confident	35 Å²	35	91.4 Å²	91.4	18%	0.179	46%	0.459	C	S	.	.	H	α-helix	trans	-67.7	-45.9	177.9	-63.9	168.9	0	0	0	111.6	L111 C112 L113 K118 E159 A163	L111-I116 HydrophobicContact CB-CD1 4.22Å; L111-I116 HydrophobicContact CB-CG1 4.26Å; L111-I116 HydrophobicContact CD2-CG1 3.78Å; L111-I116 HydrophobicContact CG-CG1 4.12Å; C112-I116 PolarHBondContact O-N 2.78Å; C112-I116 VanDerWaalsContact O-N 3.1Å; L113-I116 PolarHBondContact O-N 3.09Å; I116-K118 VanDerWaalsContact C-N 3.35Å; I116-K118 PolarHBondContact O-N 2.83Å; I116-E159 WeakPolarHBondContact CG2-O 3.41Å; I116-A163 HydrophobicContact CD1-CB 4.33Å
117	Q	68.4	Low	75.8	Confident	123 Å²	123	97.6 Å²	97.6	58%	0.575	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	5.4	-169.6	-65.8	-175.2	-17.8	0	0	114.3	L113 N119	L113-Q117 WeakPolarHBondContact O-CB 3.45Å; L113-Q117 PolarHBondContact O-N 2.68Å; Q117-N119 PolarHBondContact O-N 3.15Å
118	K	61.6	Low	76.9	Confident	131 Å²	131	97.1 Å²	97.1	57%	0.57	49%	0.488	S	S	*	.			trans	53.5	11.2	-177.3	-64.6	179.7	-178.5	168.3	0	115.3	I116 T177	I116-K118 VanDerWaalsContact C-N 3.35Å; I116-K118 PolarHBondContact O-N 2.83Å; K118-T177 PolarHBondContact NZ-O 2.88Å
119	N	53.3	Low	78.1	Confident	133 Å²	133	95 Å²	95	71%	0.711	48%	0.481	S	S	*	.			trans	-111.6	86.9	-173.5	-80.1	-12.1	0	0	0	111.1	Q117	Q117-N119 PolarHBondContact O-N 3.15Å
120	G	60.7	Low	78.8	Confident	58 Å²	58	93.3 Å²	93.3	60%	0.598	47%	0.473	S	S	*	.	S	Bend	trans	88.6	172.7	156.6	0	0	0	0	0	117.4	S114	S114-G120 WeakPolarHBondContact CB-O 3.42Å
121	E	75.3	Confident	79	Confident	190 Å²	190	90.6 Å²	90.6	89%	0.888	46%	0.463	S	S	*	.	S	Bend	trans	-64	145.2	175.6	-65.3	177.6	177	0	0	111.4	K123	E121-K123 PolarHBondContact O-N 2.99Å
122	C	83.3	Confident	79	Confident	24 Å²	24	94 Å²	94	16%	0.162	48%	0.479	C	S	.	.			trans	-65.2	121.5	177.6	178.5	0	0	0	0	110.5	F124 G125 H132	C122-F124 PolarHBondContact O-N 3.35Å; C122-F124 PolarHBondContact SG-N 3.06Å; C122-G125 PolarHBondContact O-N 3.33Å; C122-H132 WeakPolarHBondContact CB-NE2 3.42Å; C122-H132 PolarHBondContact SG-NE2 3.25Å
123	K	83.3	Confident	79.1	Confident	207 Å²	207	97.8 Å²	97.8	90%	0.9	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-18.6	178	-63.5	-171.8	178.5	-174.5	0	114.4	E121	E121-K123 PolarHBondContact O-N 2.99Å
124	F	84	Confident	79.3	Confident	144 Å²	144	93.9 Å²	93.9	63%	0.632	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	-9.1	179.3	-59.1	-77.5	0	0	0	112.9	C122 D126 K127 C128	C122-F124 PolarHBondContact O-N 3.35Å; C122-F124 PolarHBondContact SG-N 3.06Å; F124-D126 PolarHBondContact O-N 2.95Å; F124-K127 WeakPolarHBondContact O-CB 3.5Å; F124-K127 PolarHBondContact O-N 3.44Å; F124-C128 HydrophobicContact CB-CB 3.78Å
125	G	83.8	Confident	79.6	Confident	35 Å²	35	95.2 Å²	95.2	36%	0.361	49%	0.491	S	S	.	.	G	3₁₀ helix	trans	46	-130	-177.3	0	0	0	0	0	112.2	C122 K127 C128	C122-G125 PolarHBondContact O-N 3.33Å; G125-K127 PolarHBondContact O-N 3.45Å; G125-C128 WeakPolarHBondContact O-CB 3.17Å; G125-C128 PolarHBondContact O-N 2.91Å
126	D	81.8	Confident	79.9	Confident	176 Å²	176	97.6 Å²	97.6	94%	0.941	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-67	-16.1	-179.8	-53.7	-33.5	0	0	0	114.2	F124 C128	F124-D126 PolarHBondContact O-N 2.95Å; D126-C128 PolarHBondContact O-N 3.48Å
127	K	86	Confident	80.4	Confident	191 Å²	191	96.1 Å²	96.1	83%	0.83	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-83.5	-0.3	174.8	-61.3	-179.6	-178.6	175.8	0	112.4	F124 G125	F124-K127 WeakPolarHBondContact O-CB 3.5Å; F124-K127 PolarHBondContact O-N 3.44Å; G125-K127 PolarHBondContact O-N 3.45Å
128	C	85.1	Confident	81.3	Confident	21 Å²	21	92.5 Å²	92.5	14%	0.142	48%	0.476	C	S	.	.			trans	-72.2	131.4	-178.4	-164.7	0	0	0	0	111.3	F124 G125 D126 F130 H132	F124-C128 HydrophobicContact CB-CB 3.78Å; G125-C128 WeakPolarHBondContact O-CB 3.17Å; G125-C128 PolarHBondContact O-N 2.91Å; D126-C128 PolarHBondContact O-N 3.48Å; C128-F130 PolarHBondContact O-N 3.3Å; C128-H132 VanDerWaalsContact CB-CE1 3.4Å; C128-H132 WeakPolarHBondContact CB-CE1 3.36Å; C128-H132 VanDerWaalsContact SG-CE1 3.52Å
129	I	85.1	Confident	82.4	Confident	133 Å²	133	90.3 Å²	90.3	68%	0.682	48%	0.483	S	S	*	.			trans	-81.3	-1.6	179.8	63.4	170.3	0	0	0	113.7
130	F	86.9	Confident	84	Confident	77 Å²	77	89 Å²	89	34%	0.338	48%	0.476	S	S	.	.	S	Bend	trans	-103.2	154.4	-175.3	-61.6	-63.5	0	0	0	111.6	R110 C112 C128 H132	R110-F130 HydrophobicContact CB-CD1 3.82Å; R110-F130 HydrophobicContact CB-CE1 4.08Å; R110-F130 CarbonylContact O-C 3.56Å; R110-F130 WeakPolarHBondContact O-CA 3.27Å; R110-F130 VanDerWaalsContact O-CB 3.31Å; R110-F130 WeakPolarHBondContact O-CB 3.3Å; C112-F130 HydrophobicContact CB-CB 3.79Å; C128-F130 PolarHBondContact O-N 3.3Å; F130-H132 PolarHBondContact O-CE1 3.16Å; F130-H132 PolarHBondContact O-ND1 3.11Å
131	Y	86.6	Confident	85.2	Confident	34 Å²	34	87.4 Å²	87.4	13%	0.133	45%	0.452	C	S	.	.	B	Isolated β-bridge	trans	-64.2	136.2	174.9	-77	-64.7	0	0	0	111.3	K109 R110 C112 E136 Y137	K109-Y131 HydrophobicContact CB-CD2 3.6Å; K109-Y131 HydrophobicContact CB-CE2 3.24Å; K109-Y131 HydrophobicContact CD-CE1 4.06Å; K109-Y131 HydrophobicContact CD-CE2 3.98Å; K109-Y131 HydrophobicContact CG-CE2 4.27Å; R110-Y131 PolarHBondContact O-N 3.41Å; C112-Y131 VanDerWaalsContact CB-O 3.3Å; C112-Y131 WeakPolarHBondContact CB-O 3.48Å; C112-Y131 PolarHBondContact N-O 3.42Å; Y131-E136 HydrophobicContact CD1-CG 4.47Å; Y131-E136 VanDerWaalsContact CE1-CD 3.43Å; Y131-E136 HydrophobicContact CE1-CG 3.98Å; Y131-E136 WeakPolarHBondContact CE1-OE2 3.35Å; Y131-Y137 AromaticContact CD2-CD2 3.89Å; Y131-Y137 HydrophobicContact CD2-CD2 3.89Å
132	H	87.2	Confident	85.8	Confident	78 Å²	78	81.4 Å²	81.4	36%	0.361	43%	0.43	S	S	.	.			trans	-110.4	-27.8	168.3	-66.2	72.4	0	0	0	111.4	C112 C122 C128 F130 V134	C112-H132 PolarHBondContact SG-NE2 2.92Å; C112-H132 VanDerWaalsContact SG-NE2 3.43Å; C122-H132 WeakPolarHBondContact CB-NE2 3.42Å; C122-H132 PolarHBondContact SG-NE2 3.25Å; C128-H132 VanDerWaalsContact CB-CE1 3.4Å; C128-H132 WeakPolarHBondContact CB-CE1 3.36Å; C128-H132 VanDerWaalsContact SG-CE1 3.52Å; F130-H132 PolarHBondContact O-CE1 3.16Å; F130-H132 PolarHBondContact O-ND1 3.11Å; H132-V134 PolarHBondContact O-N 3.11Å
133	D	87.4	Confident	86	Confident	87 Å²	87	84.4 Å²	84.4	47%	0.465	46%	0.456	S	S	.	.			trans	-75.2	113.5	169.9	-170.4	-29.7	0	0	0	109.9	A135 E136 Y137	D133-A135 WeakPolarHBondContact OD1-CA 3.32Å; D133-A135 WeakPolarHBondContact OD1-CB 3.39Å; D133-A135 PolarHBondContact OD1-N 3.35Å; D133-E136 HydrophobicContact CB-CB 3.89Å; D133-E136 PolarHBondContact OD1-N 3.24Å; D133-Y137 WeakPolarHBondContact O-CB 3.42Å; D133-Y137 PolarHBondContact O-N 3.25Å; D133-Y137 VanDerWaalsContact O-N 3.16Å
134	V	87	Confident	86.5	Confident	29 Å²	29	76.5 Å²	76.5	18%	0.176	42%	0.424	C	S	.	.	H	α-helix	trans	-70.8	-37.5	179.3	172.2	0	0	0	0	111.5	L111 V115 H132 Y137 L138 L162 F175	L111-V134 HydrophobicContact CD1-CG2 4.46Å; V115-V134 HydrophobicContact CG1-CG2 3.62Å; H132-V134 PolarHBondContact O-N 3.11Å; V134-Y137 PolarHBondContact O-N 2.9Å; V134-L138 HydrophobicContact CG1-CD1 3.79Å; V134-L138 HydrophobicContact CG1-CG 4.23Å; V134-L138 WeakPolarHBondContact O-CB 3.23Å; V134-L138 VanDerWaalsContact O-CG 3.27Å; V134-L138 WeakPolarHBondContact O-CG 3.29Å; V134-L138 PolarHBondContact O-N 2.92Å; V134-L162 HydrophobicContact CG1-CD1 3.61Å; V134-L162 HydrophobicContact CG2-CD1 4.2Å; V134-F175 HydrophobicContact CG1-CB 3.77Å; V134-F175 HydrophobicContact CG1-CD2 4.14Å; V134-F175 HydrophobicContact CG1-CG 3.96Å
135	A	86.4	Confident	86.9	Confident	51 Å²	51	71.4 Å²	71.4	42%	0.421	40%	0.403	S	S	.	.	H	α-helix	trans	-68.6	-43.8	-178.7	0	0	0	0	0	110.5	D133 Y137 L138 A139 F175	D133-A135 WeakPolarHBondContact OD1-CA 3.32Å; D133-A135 WeakPolarHBondContact OD1-CB 3.39Å; D133-A135 PolarHBondContact OD1-N 3.35Å; A135-Y137 VanDerWaalsContact C-N 3.34Å; A135-Y137 PolarHBondContact O-N 3.14Å; A135-L138 PolarHBondContact O-N 3.47Å; A135-A139 WeakPolarHBondContact O-CB 3.35Å; A135-A139 PolarHBondContact O-N 3.4Å; A135-F175 HydrophobicContact CB-CE2 4.47Å
136	E	87.3	Confident	87.1	Confident	93 Å²	93	71.1 Å²	71.1	44%	0.435	40%	0.4	S	S	.	.	H	α-helix	trans	-61.6	-42.2	174.3	-169.3	-172.8	-176	0	0	111.5	Y131 D133 A139 N140	Y131-E136 HydrophobicContact CD1-CG 4.47Å; Y131-E136 VanDerWaalsContact CE1-CD 3.43Å; Y131-E136 HydrophobicContact CE1-CG 3.98Å; Y131-E136 WeakPolarHBondContact CE1-OE2 3.35Å; D133-E136 HydrophobicContact CB-CB 3.89Å; D133-E136 PolarHBondContact OD1-N 3.24Å; E136-A139 PolarHBondContact O-N 3.49Å; E136-N140 PolarHBondContact O-N 3.29Å; E136-N140 PolarHBondContact O-ND2 3.2Å
137	Y	87.9	Confident	87.5	Confident	4 Å²	4	71 Å²	71	2%	0.016	39%	0.393	C	S	.	.	H	α-helix	trans	-61.7	-48.8	175.9	171.5	-106.1	0	0	0	111.9	L111 Y131 D133 V134 A135 A139 N140 K141 A163	L111-Y137 HydrophobicContact CB-CD1 4.17Å; L111-Y137 HydrophobicContact CB-CD2 4.15Å; L111-Y137 HydrophobicContact CB-CE1 4.17Å; L111-Y137 HydrophobicContact CB-CE2 4.15Å; L111-Y137 HydrophobicContact CB-CG 4.16Å; L111-Y137 HydrophobicContact CD1-CD1 4.08Å; L111-Y137 HydrophobicContact CD1-CG 3.93Å; L111-Y137 HydrophobicContact CD2-CD1 4.11Å; L111-Y137 HydrophobicContact CD2-CE1 4.27Å; L111-Y137 HydrophobicContact CG-CD1 4.37Å; L111-Y137 HydrophobicContact CG-CG 4.5Å; Y131-Y137 AromaticContact CD2-CD2 3.89Å; Y131-Y137 HydrophobicContact CD2-CD2 3.89Å; D133-Y137 WeakPolarHBondContact O-CB 3.42Å; D133-Y137 PolarHBondContact O-N 3.25Å; D133-Y137 VanDerWaalsContact O-N 3.16Å; V134-Y137 PolarHBondContact O-N 2.9Å; A135-Y137 VanDerWaalsContact C-N 3.34Å; A135-Y137 PolarHBondContact O-N 3.14Å; Y137-A139 VanDerWaalsContact C-N 3.3Å; Y137-A139 PolarHBondContact O-N 2.56Å; Y137-N140 CarbonylContact O-C 3.59Å; Y137-N140 PolarHBondContact O-N 2.83Å; Y137-N140 VanDerWaalsContact O-N 3.11Å; Y137-K141 HydrophobicContact CE1-CB 4.4Å; Y137-K141 HydrophobicContact CE1-CD 4.04Å; Y137-K141 HydrophobicContact CE1-CG 4.41Å; Y137-K141 WeakPolarHBondContact O-CB 3.45Å; Y137-K141 PolarHBondContact O-N 2.85Å; Y137-A163 WeakPolarHBondContact OH-CA 3.36Å; Y137-A163 WeakPolarHBondContact OH-CB 3.39Å
138	L	86.5	Confident	87.8	Confident	46 Å²	46	71.3 Å²	71.3	24%	0.241	39%	0.389	C	S	.	.	H	α-helix	trans	-66	-31.6	-178.2	-71	174	0	0	0	112.7	V134 A135 N140 K141 L162 F175	V134-L138 HydrophobicContact CG1-CD1 3.79Å; V134-L138 HydrophobicContact CG1-CG 4.23Å; V134-L138 WeakPolarHBondContact O-CB 3.23Å; V134-L138 VanDerWaalsContact O-CG 3.27Å; V134-L138 WeakPolarHBondContact O-CG 3.29Å; V134-L138 PolarHBondContact O-N 2.92Å; A135-L138 PolarHBondContact O-N 3.47Å; L138-N140 VanDerWaalsContact C-N 3.28Å; L138-N140 PolarHBondContact O-N 3.39Å; L138-K141 HydrophobicContact CD2-CD 4.02Å; L138-K141 PolarHBondContact O-N 3.14Å; L138-L162 HydrophobicContact CD1-CD2 4.36Å; L138-F175 HydrophobicContact CD1-CB 4.42Å; L138-F175 HydrophobicContact CD1-CD1 3.16Å; L138-F175 HydrophobicContact CD1-CD2 4.46Å; L138-F175 HydrophobicContact CD1-CE1 3.35Å; L138-F175 HydrophobicContact CD1-CG 3.79Å; L138-F175 HydrophobicContact CD1-CZ 4.08Å
139	A	86.3	Confident	88.4	Confident	85 Å²	85	70.3 Å²	70.3	70%	0.702	38%	0.383	S	S	*	.	H	α-helix	trans	-65.2	-31.1	173.4	0	0	0	0	0	112.8	A135 E136 Y137	A135-A139 WeakPolarHBondContact O-CB 3.35Å; A135-A139 PolarHBondContact O-N 3.4Å; E136-A139 PolarHBondContact O-N 3.49Å; Y137-A139 VanDerWaalsContact C-N 3.3Å; Y137-A139 PolarHBondContact O-N 2.56Å
140	N	86.1	Confident	88.9	Confident	106 Å²	106	66.2 Å²	66.2	57%	0.567	36%	0.359	S	S	*	.	H	α-helix	trans	-94.2	-19.4	178.9	-72.9	-71.5	0	0	0	113.6	E136 Y137 L138	E136-N140 PolarHBondContact O-N 3.29Å; E136-N140 PolarHBondContact O-ND2 3.2Å; Y137-N140 CarbonylContact O-C 3.59Å; Y137-N140 PolarHBondContact O-N 2.83Å; Y137-N140 VanDerWaalsContact O-N 3.11Å; L138-N140 VanDerWaalsContact C-N 3.28Å; L138-N140 PolarHBondContact O-N 3.39Å
141	K	86.5	Confident	89.3	Confident	24 Å²	24	63 Å²	63	10%	0.104	35%	0.345	C	S	.	.	S	Bend	trans	-65.4	133.1	178	-174.1	-166.5	172.3	-152.6	0	108.8	Y137 L138 D144 L162 C164	Y137-K141 HydrophobicContact CE1-CB 4.4Å; Y137-K141 HydrophobicContact CE1-CD 4.04Å; Y137-K141 HydrophobicContact CE1-CG 4.41Å; Y137-K141 WeakPolarHBondContact O-CB 3.45Å; Y137-K141 PolarHBondContact O-N 2.85Å; L138-K141 HydrophobicContact CD2-CD 4.02Å; L138-K141 PolarHBondContact O-N 3.14Å; K141-D144 WeakPolarHBondContact CE-OD1 3.2Å; K141-D144 IonicContact NZ-OD1 3Å; K141-D144 PolarHBondContact NZ-OD1 3.21Å; K141-D144 IonicContact NZ-OD2 3.48Å; K141-L162 VanDerWaalsContact CE-O 3.31Å; K141-L162 WeakPolarHBondContact CE-O 3.47Å; K141-L162 PolarHBondContact NZ-O 3.41Å; K141-C164 VanDerWaalsContact CE-O 3.23Å; K141-C164 WeakPolarHBondContact CE-O 3.3Å; K141-C164 PolarHBondContact NZ-O 2.89Å
142	P	86.5	Confident	89.7	Confident	65 Å²	65	62.5 Å²	62.5	42%	0.422	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-59	159.2	174.9	-20	30.5	0	0	0	111.5	R165	P142-R165 PolarHBondContact O-NH1 3.35Å
143	A	89.3	Confident	90.2	Very high	86 Å²	86	62 Å²	62	71%	0.711	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-59.2	145.6	177.6	0	0	0	0	0	111.9	R165	A143-R165 PolarHBondContact O-NH1 2.9Å; A143-R165 PolarHBondContact O-NH2 3.05Å
144	D	92.4	Very high	90.5	Very high	41 Å²	41	59.5 Å²	59.5	22%	0.219	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-63.7	151	178.3	-78.5	-10.2	0	0	0	112	K141 R165 A167 T168	K141-D144 WeakPolarHBondContact CE-OD1 3.2Å; K141-D144 IonicContact NZ-OD1 3Å; K141-D144 PolarHBondContact NZ-OD1 3.21Å; K141-D144 IonicContact NZ-OD2 3.48Å; D144-R165 CarbonylContact C-O 3.5Å; D144-R165 WeakPolarHBondContact CA-O 3.44Å; D144-R165 WeakPolarHBondContact CB-O 3.35Å; D144-A167 WeakPolarHBondContact OD2-CA 3.44Å; D144-A167 PolarHBondContact OD2-N 3.25Å; D144-T168 HydrophobicContact CB-CG2 4.45Å; D144-T168 WeakPolarHBondContact OD2-CG2 3.4Å; D144-T168 PolarHBondContact OD2-N 3.44Å; D144-T168 PolarHBondContact OD2-OG1 3.29Å
145	I	91.8	Very high	90.9	Very high	38 Å²	38	59.5 Å²	59.5	20%	0.195	33%	0.329	C	S	.	.	S	Bend	trans	-81.8	-28.5	-168.8	-71.2	164.8	0	0	0	112.3	R165 F166 V558 L621	I145-R165 HydrophobicContact CD1-CB 3.45Å; I145-R165 VanDerWaalsContact CD1-CB 3.45Å; I145-R165 HydrophobicContact CD1-CG 4.03Å; I145-R165 HydrophobicContact CG1-CB 4.08Å; I145-R165 PolarHBondContact N-O 3.1Å; I145-F166 HydrophobicContact CB-CD1 4.42Å; I145-F166 HydrophobicContact CB-CE1 3.87Å; I145-F166 HydrophobicContact CB-CZ 3.98Å; I145-F166 HydrophobicContact CD1-CZ 4.48Å; I145-F166 HydrophobicContact CG2-CE1 3.71Å; I145-F166 HydrophobicContact CG2-CZ 3.76Å; I145-V558 HydrophobicContact CD1-CB 4.49Å; I145-V558 HydrophobicContact CD1-CG1 3.81Å; I145-V558 HydrophobicContact CD1-CG2 4.05Å; I145-L621 WeakPolarHBondContact CD1-O 3.48Å; I145-L621 WeakPolarHBondContact CG2-O 3.29Å
146	G	88.4	Confident	91.3	Very high	28 Å²	28	57 Å²	57	29%	0.289	31%	0.309	S	S	.	.			trans	-169.3	175	-176.7	0	0	0	0	0	112.8
147	E	90.5	Very high	91.6	Very high	173 Å²	173	56.8 Å²	56.8	81%	0.808	31%	0.306	S	S	*	.	S	Bend	trans	-84.3	-11.8	-170.7	-60.9	175.8	179.3	0	0	114.2	A169	E147-A169 WeakPolarHBondContact O-CB 3.24Å
148	R	93.4	Very high	91.8	Very high	198 Å²	198	57 Å²	57	75%	0.747	31%	0.308	S	S	*	.			trans	-127.7	136.5	-174.9	-63.3	-173.8	-175.8	-174.3	0.4	111.1	F166	R148-F166 WeakPolarHBondContact O-CD1 3.46Å
149	C	95.9	Very high	92	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.007	33%	0.331	C	S	.	.			trans	-110	111.8	178	178.3	0	0	0	0	109.9	L151 Y152 D153 C164 F166 A169 H170	C149-L151 VanDerWaalsContact C-N 3.25Å; C149-L151 PolarHBondContact O-N 3.41Å; C149-Y152 PolarHBondContact O-N 2.89Å; C149-Y152 VanDerWaalsContact O-N 3.14Å; C149-D153 WeakPolarHBondContact O-CB 3.26Å; C149-D153 PolarHBondContact O-N 3.05Å; C149-C164 VanDerWaalsContact SG-SG 3.69Å; C149-F166 HydrophobicContact CB-CB 3.6Å; C149-F166 HydrophobicContact CB-CG 4.47Å; C149-A169 HydrophobicContact CB-CB 4.17Å; C149-H170 VanDerWaalsContact CB-CD2 3.42Å; C149-H170 WeakPolarHBondContact CB-CD2 3.04Å; C149-H170 VanDerWaalsContact SG-CD2 3.54Å; C149-H170 PolarHBondContact SG-NE2 3.5Å
150	Y	96.1	Very high	92.2	Very high	47 Å²	47	60.9 Å²	60.9	18%	0.184	31%	0.308	C	S	.	.	H	α-helix	trans	-52.1	-42.1	-179.8	174.1	-108.6	0	0	0	113.2	D153 T154 N545 E549	Y150-D153 PolarHBondContact O-N 3.27Å; Y150-T154 WeakPolarHBondContact CD2-OG1 3.42Å; Y150-T154 WeakPolarHBondContact CE2-OG1 3.26Å; Y150-T154 VanDerWaalsContact O-CB 3.23Å; Y150-T154 WeakPolarHBondContact O-CB 3.49Å; Y150-T154 PolarHBondContact O-N 2.67Å; Y150-T154 PolarHBondContact O-OG1 3.32Å; Y150-N545 HydrophobicContact CD1-CB 3.7Å; Y150-N545 VanDerWaalsContact CD1-O 3.29Å; Y150-N545 WeakPolarHBondContact CD1-O 3.37Å; Y150-N545 HydrophobicContact CD2-CB 3.64Å; Y150-N545 VanDerWaalsContact CD2-CG 3.46Å; Y150-N545 HydrophobicContact CE1-CB 3.79Å; Y150-N545 WeakPolarHBondContact CE1-O 3.48Å; Y150-N545 HydrophobicContact CE2-CB 3.74Å; Y150-N545 HydrophobicContact CG-CB 3.63Å; Y150-E549 HydrophobicContact CE1-CB 4.36Å
151	L	95.7	Very high	92.4	Very high	9 Å²	9	55.9 Å²	55.9	5%	0.047	28%	0.282	C	S	.	.	H	α-helix	trans	-66.2	-45.5	-178.9	-55.9	-176.1	0	0	0	111.8	C149 F155 C158 Y160 E549	C149-L151 VanDerWaalsContact C-N 3.25Å; C149-L151 PolarHBondContact O-N 3.41Å; L151-F155 HydrophobicContact CB-CD2 4.33Å; L151-F155 HydrophobicContact CD2-CD2 4.27Å; L151-F155 HydrophobicContact CD2-CE2 3.91Å; L151-F155 WeakPolarHBondContact O-CB 3.36Å; L151-F155 WeakPolarHBondContact O-CD2 3.41Å; L151-F155 PolarHBondContact O-N 3.49Å; L151-C158 HydrophobicContact CB-CB 4.35Å; L151-Y160 HydrophobicContact CD1-CD2 3.96Å; L151-Y160 HydrophobicContact CD1-CE2 4.29Å; L151-E549 HydrophobicContact CD2-CB 3.8Å; L151-E549 HydrophobicContact CD2-CG 4.23Å
152	Y	95.9	Very high	92.6	Very high	24 Å²	24	55.3 Å²	55.3	9%	0.094	28%	0.28	C	S	.	.	H	α-helix	trans	-66.4	-40.7	177.9	176.3	-112.8	0	0	0	112.1	C149 G156 H170 M178 K180	C149-Y152 PolarHBondContact O-N 2.89Å; C149-Y152 VanDerWaalsContact O-N 3.14Å; Y152-G156 WeakPolarHBondContact CD2-O 3.45Å; Y152-G156 WeakPolarHBondContact CE2-O 3.45Å; Y152-G156 CarbonylContact O-C 3.12Å; Y152-G156 WeakPolarHBondContact O-CA 3.38Å; Y152-G156 PolarHBondContact O-N 3.23Å; Y152-H170 HydrophobicContact CD1-CB 3.62Å; Y152-H170 HydrophobicContact CD2-CB 3.58Å; Y152-H170 HydrophobicContact CE1-CB 3.86Å; Y152-H170 HydrophobicContact CE2-CB 3.86Å; Y152-H170 HydrophobicContact CG-CB 3.44Å; Y152-H170 VanDerWaalsContact CG-CB 3.44Å; Y152-M178 HydrophobicContact CE2-CB 4.29Å; Y152-M178 WeakPolarHBondContact CE2-O 3.45Å; Y152-K180 HydrophobicContact CE1-CD 4.35Å; Y152-K180 VanDerWaalsContact CE1-CE 3.44Å; Y152-K180 HydrophobicContact CE1-CG 4.47Å; Y152-K180 HydrophobicContact CE2-CG 4.04Å
153	D	96.2	Very high	92.9	Very high	67 Å²	67	52.6 Å²	52.6	36%	0.358	26%	0.263	S	S	.	.	H	α-helix	trans	-69.7	-34.3	179.9	-71.9	-28.8	0	0	0	112.7	C149 Y150 K180	C149-D153 WeakPolarHBondContact O-CB 3.26Å; C149-D153 PolarHBondContact O-N 3.05Å; Y150-D153 PolarHBondContact O-N 3.27Å; D153-K180 IonicContact OD1-NZ 3.72Å; D153-K180 PolarHBondContact OD1-NZ 3.19Å
154	T	95.1	Very high	93.1	Very high	34 Å²	34	48.5 Å²	48.5	21%	0.209	23%	0.229	C	C	.	.	H	α-helix	trans	-84.7	-46	-178.3	-52.9	0	0	0	0	112.4	Y150 Y187	Y150-T154 WeakPolarHBondContact CD2-OG1 3.42Å; Y150-T154 WeakPolarHBondContact CE2-OG1 3.26Å; Y150-T154 VanDerWaalsContact O-CB 3.23Å; Y150-T154 WeakPolarHBondContact O-CB 3.49Å; Y150-T154 PolarHBondContact O-N 2.67Å; Y150-T154 PolarHBondContact O-OG1 3.32Å; T154-Y187 WeakPolarHBondContact O-CE2 3.41Å
155	F	95	Very high	93.1	Very high	29 Å²	29	47.6 Å²	47.6	13%	0.127	22%	0.223	C	C	.	.	H	α-helix	trans	-106.2	-2.2	-170.3	-52.3	-61.5	0	0	0	113.5	L151 K157 Y187 L192 E549	L151-F155 HydrophobicContact CB-CD2 4.33Å; L151-F155 HydrophobicContact CD2-CD2 4.27Å; L151-F155 HydrophobicContact CD2-CE2 3.91Å; L151-F155 WeakPolarHBondContact O-CB 3.36Å; L151-F155 WeakPolarHBondContact O-CD2 3.41Å; L151-F155 PolarHBondContact O-N 3.49Å; F155-K157 PolarHBondContact O-N 2.91Å; F155-K157 VanDerWaalsContact O-N 3.14Å; F155-Y187 AromaticContact CD1-CD1 3.93Å; F155-Y187 HydrophobicContact CD1-CD1 3.93Å; F155-Y187 HydrophobicContact CD1-CD2 4.21Å; F155-Y187 AromaticContact CD1-CE1 3.88Å; F155-Y187 HydrophobicContact CD1-CE1 3.88Å; F155-Y187 HydrophobicContact CD1-CE2 4.18Å; F155-Y187 HydrophobicContact CD1-CG 4.1Å; F155-Y187 HydrophobicContact CE1-CD1 4.31Å; F155-Y187 AromaticContact CE1-CE1 3.96Å; F155-Y187 HydrophobicContact CE1-CE1 3.96Å; F155-L192 HydrophobicContact CD1-CD1 4.04Å; F155-L192 HydrophobicContact CE1-CD1 3.29Å; F155-L192 HydrophobicContact CZ-CD1 3.81Å; F155-E549 HydrophobicContact CE2-CG 3.96Å; F155-E549 HydrophobicContact CZ-CG 4.07Å
156	G	94.8	Very high	93.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.217	C	C	.	.	S	Bend	trans	73.9	-8.5	-175	0	0	0	0	0	114.7	Y152 E179 K180	Y152-G156 WeakPolarHBondContact CD2-O 3.45Å; Y152-G156 WeakPolarHBondContact CE2-O 3.45Å; Y152-G156 CarbonylContact O-C 3.12Å; Y152-G156 WeakPolarHBondContact O-CA 3.38Å; Y152-G156 PolarHBondContact O-N 3.23Å; G156-E179 CarbonylContact O-C 3.54Å; G156-E179 VanDerWaalsContact O-CA 3.22Å; G156-E179 WeakPolarHBondContact O-CA 3.26Å; G156-K180 PolarHBondContact O-N 3.03Å
157	K	93.3	Very high	93.5	Very high	88 Å²	88	45.4 Å²	45.4	38%	0.383	20%	0.204	S	C	.	.	S	Bend	trans	-147.4	152.4	176.6	66.7	-177.8	179	-174.8	0	111	F155 E179 V184	F155-K157 PolarHBondContact O-N 2.91Å; F155-K157 VanDerWaalsContact O-N 3.14Å; K157-E179 HydrophobicContact CB-CG 3.89Å; K157-V184 HydrophobicContact CB-CG2 3.98Å; K157-V184 HydrophobicContact CD-CG1 4.23Å; K157-V184 HydrophobicContact CD-CG2 3.99Å; K157-V184 HydrophobicContact CG-CG2 4.03Å
158	C	93	Very high	93.6	Very high	8 Å²	8	41.7 Å²	41.7	5%	0.054	19%	0.193	C	C	.	.			trans	-113.8	114.8	176.1	178.8	0	0	0	0	109.4	L151 Y160 G161 C164 H170	L151-C158 HydrophobicContact CB-CB 4.35Å; C158-Y160 PolarHBondContact O-N 2.97Å; C158-Y160 VanDerWaalsContact O-N 3.08Å; C158-G161 PolarHBondContact O-N 3.31Å; C158-C164 VanDerWaalsContact SG-SG 3.67Å; C158-H170 WeakPolarHBondContact CB-NE2 3.46Å
159	E	89.6	Confident	93.5	Very high	156 Å²	156	33.5 Å²	33.5	73%	0.729	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-18.7	-178.6	-61.2	-169.9	155.3	0	0	113.6	I116	I116-E159 WeakPolarHBondContact CG2-O 3.41Å
160	Y	90.9	Very high	93.4	Very high	56 Å²	56	33.4 Å²	33.4	22%	0.22	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-12	177.6	-65.2	-89	0	0	0	112.9	L151 C158 L162 A163 C164 G552 S553 D554	L151-Y160 HydrophobicContact CD1-CD2 3.96Å; L151-Y160 HydrophobicContact CD1-CE2 4.29Å; C158-Y160 PolarHBondContact O-N 2.97Å; C158-Y160 VanDerWaalsContact O-N 3.08Å; Y160-L162 PolarHBondContact O-N 3.36Å; Y160-A163 WeakPolarHBondContact O-CA 3.39Å; Y160-A163 WeakPolarHBondContact O-CB 3.26Å; Y160-A163 PolarHBondContact O-N 2.92Å; Y160-C164 PolarHBondContact O-N 3.4Å; Y160-G552 WeakPolarHBondContact OH-CA 3.4Å; Y160-S553 WeakPolarHBondContact CB-OG 3.18Å; Y160-S553 VanDerWaalsContact CD2-OG 3.28Å; Y160-S553 WeakPolarHBondContact CD2-OG 3.4Å; Y160-D554 HydrophobicContact CD1-CB 3.73Å; Y160-D554 HydrophobicContact CE1-CB 4.2Å
161	G	91	Very high	93.2	Very high	2 Å²	2	32.6 Å²	32.6	2%	0.021	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	45.4	-125.2	175.2	0	0	0	0	0	113.2	C158 A163 C164 H170	C158-G161 PolarHBondContact O-N 3.31Å; G161-A163 PolarHBondContact O-N 3.13Å; G161-C164 WeakPolarHBondContact O-CB 3.35Å; G161-C164 PolarHBondContact O-N 2.95Å; G161-H170 PolarHBondContact O-CE1 3.25Å
162	L	90.6	Very high	92.8	Very high	12 Å²	12	34.7 Å²	34.7	6%	0.063	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-61.8	-25.3	179.6	-66	163.8	0	0	0	114.3	L111 V134 L138 K141 Y160 C164 T171 F175	L111-L162 HydrophobicContact CD2-CB 4.13Å; L111-L162 HydrophobicContact CD2-CD1 4.33Å; V134-L162 HydrophobicContact CG1-CD1 3.61Å; V134-L162 HydrophobicContact CG2-CD1 4.2Å; L138-L162 HydrophobicContact CD1-CD2 4.36Å; K141-L162 VanDerWaalsContact CE-O 3.31Å; K141-L162 WeakPolarHBondContact CE-O 3.47Å; K141-L162 PolarHBondContact NZ-O 3.41Å; Y160-L162 PolarHBondContact O-N 3.36Å; L162-C164 VanDerWaalsContact C-N 3.28Å; L162-T171 HydrophobicContact CD2-CG2 3.75Å; L162-F175 HydrophobicContact CD2-CB 4.15Å
163	A	91.3	Very high	92.3	Very high	7 Å²	7	38.1 Å²	38.1	6%	0.058	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-78.9	-11.5	176.7	0	0	0	0	0	113.1	I116 Y137 Y160 G161 D554	I116-A163 HydrophobicContact CD1-CB 4.33Å; Y137-A163 WeakPolarHBondContact OH-CA 3.36Å; Y137-A163 WeakPolarHBondContact OH-CB 3.39Å; Y160-A163 WeakPolarHBondContact O-CA 3.39Å; Y160-A163 WeakPolarHBondContact O-CB 3.26Å; Y160-A163 PolarHBondContact O-N 2.92Å; G161-A163 PolarHBondContact O-N 3.13Å; A163-D554 WeakPolarHBondContact O-CA 3.45Å
164	C	93.7	Very high	91.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.227	C	C	.	.	S	Bend	trans	-61.2	139.2	175.4	-174.6	0	0	0	0	111	K141 C149 C158 Y160 G161 L162 F166 A167 S553	K141-C164 VanDerWaalsContact CE-O 3.23Å; K141-C164 WeakPolarHBondContact CE-O 3.3Å; K141-C164 PolarHBondContact NZ-O 2.89Å; C149-C164 VanDerWaalsContact SG-SG 3.69Å; C158-C164 VanDerWaalsContact SG-SG 3.67Å; Y160-C164 PolarHBondContact O-N 3.4Å; G161-C164 WeakPolarHBondContact O-CB 3.35Å; G161-C164 PolarHBondContact O-N 2.95Å; L162-C164 VanDerWaalsContact C-N 3.28Å; C164-F166 PolarHBondContact O-N 2.8Å; C164-F166 VanDerWaalsContact O-N 3.17Å; C164-F166 PolarHBondContact SG-N 3.02Å; C164-F166 VanDerWaalsContact SG-N 3.38Å; C164-A167 HydrophobicContact CB-CB 4.33Å; C164-A167 VanDerWaalsContact O-CB 3.29Å; C164-A167 WeakPolarHBondContact O-CB 3.37Å; C164-A167 PolarHBondContact O-N 2.99Å; C164-S553 CarbonylContact C-O 3.54Å; C164-S553 WeakPolarHBondContact CA-O 3.31Å; C164-S553 VanDerWaalsContact SG-CB 3.52Å; C164-S553 PolarHBondContact SG-OG 2.79Å
165	R	94	Very high	91.2	Very high	23 Å²	23	43.6 Å²	43.6	9%	0.087	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	9.4	175.1	-57.5	-67.3	-67.4	130.4	8.4	113.8	P142 A143 D144 I145 S553 T555 V558	P142-R165 PolarHBondContact O-NH1 3.35Å; A143-R165 PolarHBondContact O-NH1 2.9Å; A143-R165 PolarHBondContact O-NH2 3.05Å; D144-R165 CarbonylContact C-O 3.5Å; D144-R165 WeakPolarHBondContact CA-O 3.44Å; D144-R165 WeakPolarHBondContact CB-O 3.35Å; I145-R165 HydrophobicContact CD1-CB 3.45Å; I145-R165 VanDerWaalsContact CD1-CB 3.45Å; I145-R165 HydrophobicContact CD1-CG 4.03Å; I145-R165 HydrophobicContact CG1-CB 4.08Å; I145-R165 PolarHBondContact N-O 3.1Å; R165-S553 WeakPolarHBondContact CG-O 3.2Å; R165-S553 PolarHBondContact N-O 3.14Å; R165-T555 WeakPolarHBondContact CD-OG1 3.25Å; R165-V558 HydrophobicContact CB-CG2 4.06Å; R165-V558 HydrophobicContact CG-CG2 3.79Å
166	F	95	Very high	90.7	Very high	18 Å²	18	48.2 Å²	48.2	8%	0.079	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135.9	29.9	175.7	-54.7	-91	0	0	0	109.4	I145 R148 C149 C164 T168 A169 H170 L548	I145-F166 HydrophobicContact CB-CD1 4.42Å; I145-F166 HydrophobicContact CB-CE1 3.87Å; I145-F166 HydrophobicContact CB-CZ 3.98Å; I145-F166 HydrophobicContact CD1-CZ 4.48Å; I145-F166 HydrophobicContact CG2-CE1 3.71Å; I145-F166 HydrophobicContact CG2-CZ 3.76Å; R148-F166 WeakPolarHBondContact O-CD1 3.46Å; C149-F166 HydrophobicContact CB-CB 3.6Å; C149-F166 HydrophobicContact CB-CG 4.47Å; C164-F166 PolarHBondContact O-N 2.8Å; C164-F166 VanDerWaalsContact O-N 3.17Å; C164-F166 PolarHBondContact SG-N 3.02Å; C164-F166 VanDerWaalsContact SG-N 3.38Å; F166-T168 VanDerWaalsContact C-N 3.34Å; F166-T168 PolarHBondContact O-N 2.89Å; F166-A169 WeakPolarHBondContact O-CB 3.5Å; F166-A169 PolarHBondContact O-N 3.37Å; F166-H170 PolarHBondContact O-CD2 3.03Å; F166-H170 VanDerWaalsContact O-CD2 3.29Å; F166-H170 PolarHBondContact O-NE2 3.49Å; F166-L548 HydrophobicContact CE2-CD1 3.88Å; F166-L548 HydrophobicContact CZ-CD1 4.35Å
167	A	92.6	Very high	90.4	Very high	2 Å²	2	49.3 Å²	49.3	2%	0.017	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-63.3	-37.5	-172.4	0	0	0	0	0	112.2	D144 C164 A169 H170 T171	D144-A167 WeakPolarHBondContact OD2-CA 3.44Å; D144-A167 PolarHBondContact OD2-N 3.25Å; C164-A167 HydrophobicContact CB-CB 4.33Å; C164-A167 VanDerWaalsContact O-CB 3.29Å; C164-A167 WeakPolarHBondContact O-CB 3.37Å; C164-A167 PolarHBondContact O-N 2.99Å; A167-A169 PolarHBondContact O-N 3.25Å; A167-H170 CarbonylContact O-C 3.55Å; A167-H170 VanDerWaalsContact O-C 3.31Å; A167-H170 PolarHBondContact O-N 3.09Å; A167-T171 HydrophobicContact CB-CG2 4.02Å; A167-T171 WeakPolarHBondContact O-CB 3.35Å; A167-T171 VanDerWaalsContact O-CG2 3.3Å; A167-T171 WeakPolarHBondContact O-CG2 3.49Å; A167-T171 PolarHBondContact O-N 3.36Å; A167-T171 PolarHBondContact O-OG1 2.88Å
168	T	92.2	Very high	90.3	Very high	94 Å²	94	48.4 Å²	48.4	58%	0.577	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-52.8	-31	177.7	52.1	0	0	0	0	113	D144 F166 H170	D144-T168 HydrophobicContact CB-CG2 4.45Å; D144-T168 WeakPolarHBondContact OD2-CG2 3.4Å; D144-T168 PolarHBondContact OD2-N 3.44Å; D144-T168 PolarHBondContact OD2-OG1 3.29Å; F166-T168 VanDerWaalsContact C-N 3.34Å; F166-T168 PolarHBondContact O-N 2.89Å; T168-H170 PolarHBondContact O-N 3.3Å
169	A	92.8	Very high	90.3	Very high	26 Å²	26	53.2 Å²	53.2	22%	0.215	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-66.7	-20.7	176.4	0	0	0	0	0	113.7	E147 C149 F166 A167	E147-A169 WeakPolarHBondContact O-CB 3.24Å; C149-A169 HydrophobicContact CB-CB 4.17Å; F166-A169 WeakPolarHBondContact O-CB 3.5Å; F166-A169 PolarHBondContact O-N 3.37Å; A167-A169 PolarHBondContact O-N 3.25Å
170	H	93.6	Very high	90.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-144.5	28.4	-171.6	65.2	73.3	0	0	0	113.7	C149 Y152 C158 G161 F166 A167 T168 T177 M178	C149-H170 VanDerWaalsContact CB-CD2 3.42Å; C149-H170 WeakPolarHBondContact CB-CD2 3.04Å; C149-H170 VanDerWaalsContact SG-CD2 3.54Å; C149-H170 PolarHBondContact SG-NE2 3.5Å; Y152-H170 HydrophobicContact CD1-CB 3.62Å; Y152-H170 HydrophobicContact CD2-CB 3.58Å; Y152-H170 HydrophobicContact CE1-CB 3.86Å; Y152-H170 HydrophobicContact CE2-CB 3.86Å; Y152-H170 HydrophobicContact CG-CB 3.44Å; Y152-H170 VanDerWaalsContact CG-CB 3.44Å; C158-H170 WeakPolarHBondContact CB-NE2 3.46Å; G161-H170 PolarHBondContact O-CE1 3.25Å; F166-H170 PolarHBondContact O-CD2 3.03Å; F166-H170 VanDerWaalsContact O-CD2 3.29Å; F166-H170 PolarHBondContact O-NE2 3.49Å; A167-H170 CarbonylContact O-C 3.55Å; A167-H170 VanDerWaalsContact O-C 3.31Å; A167-H170 PolarHBondContact O-N 3.09Å; T168-H170 PolarHBondContact O-N 3.3Å; H170-T177 WeakPolarHBondContact O-CA 3.43Å; H170-M178 PolarHBondContact O-N 3.38Å
171	T	91.3	Very high	90.7	Very high	29 Å²	29	50.3 Å²	50.3	18%	0.178	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-130.8	143.3	173.4	57.5	0	0	0	0	111.1	L162 A167 K176	L162-T171 HydrophobicContact CD2-CG2 3.75Å; A167-T171 HydrophobicContact CB-CG2 4.02Å; A167-T171 WeakPolarHBondContact O-CB 3.35Å; A167-T171 VanDerWaalsContact O-CG2 3.3Å; A167-T171 WeakPolarHBondContact O-CG2 3.49Å; A167-T171 PolarHBondContact O-N 3.36Å; A167-T171 PolarHBondContact O-OG1 2.88Å; T171-K176 WeakPolarHBondContact CA-O 3.31Å
172	T	87.7	Confident	90.8	Very high	54 Å²	54	58.6 Å²	58.6	33%	0.331	32%	0.322	S	S	.	.			trans	-86.9	167.2	174.2	56.3	0	0	0	0	111.5	D174 F175 K176 M178	T172-D174 PolarHBondContact O-N 3.25Å; T172-F175 PolarHBondContact O-N 3.27Å; T172-K176 PolarHBondContact N-O 2.94Å; T172-K176 WeakPolarHBondContact OG1-CB 3.49Å; T172-K176 PolarHBondContact OG1-N 3.46Å; T172-K176 PolarHBondContact OG1-O 3.14Å; T172-K176 VanDerWaalsContact OG1-O 3.13Å; T172-M178 HydrophobicContact CG2-CG 3.78Å; T172-M178 HydrophobicContact CG2-SD 3.87Å
173	A	84.9	Confident	91	Very high	95 Å²	95	60.7 Å²	60.7	79%	0.785	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-29.2	176.1	0	0	0	0	0	113.1	F175	A173-F175 PolarHBondContact O-N 2.92Å
174	D	83.8	Confident	91.1	Very high	118 Å²	118	61.5 Å²	61.5	63%	0.631	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	17.3	176.5	-56.5	-27.8	0	0	0	113.4	T172 K176	T172-D174 PolarHBondContact O-N 3.25Å; D174-K176 HydrophobicContact CB-CG 4.48Å; D174-K176 PolarHBondContact O-N 3.45Å; D174-K176 VanDerWaalsContact O-N 3.15Å
175	F	84.5	Confident	91.1	Very high	99 Å²	99	69.2 Å²	69.2	43%	0.434	37%	0.371	S	S	.	.	S	Bend	trans	58.3	25.2	-177.3	-47.9	-52.4	0	0	0	115.1	V134 A135 L138 L162 T172 A173	V134-F175 HydrophobicContact CG1-CB 3.77Å; V134-F175 HydrophobicContact CG1-CD2 4.14Å; V134-F175 HydrophobicContact CG1-CG 3.96Å; A135-F175 HydrophobicContact CB-CE2 4.47Å; L138-F175 HydrophobicContact CD1-CB 4.42Å; L138-F175 HydrophobicContact CD1-CD1 3.16Å; L138-F175 HydrophobicContact CD1-CD2 4.46Å; L138-F175 HydrophobicContact CD1-CE1 3.35Å; L138-F175 HydrophobicContact CD1-CG 3.79Å; L138-F175 HydrophobicContact CD1-CZ 4.08Å; L162-F175 HydrophobicContact CD2-CB 4.15Å; T172-F175 PolarHBondContact O-N 3.27Å; A173-F175 PolarHBondContact O-N 2.92Å
176	K	84.6	Confident	91	Very high	126 Å²	126	71.2 Å²	71.2	55%	0.548	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-91.2	130.5	173.6	-60.8	171.6	-177.5	161.6	0	110.5	T171 T172 D174	T171-K176 WeakPolarHBondContact CA-O 3.31Å; T172-K176 PolarHBondContact N-O 2.94Å; T172-K176 WeakPolarHBondContact OG1-CB 3.49Å; T172-K176 PolarHBondContact OG1-N 3.46Å; T172-K176 PolarHBondContact OG1-O 3.14Å; T172-K176 VanDerWaalsContact OG1-O 3.13Å; D174-K176 HydrophobicContact CB-CG 4.48Å; D174-K176 PolarHBondContact O-N 3.45Å; D174-K176 VanDerWaalsContact O-N 3.15Å
177	T	87.9	Confident	90.8	Very high	23 Å²	23	73.8 Å²	73.8	14%	0.141	40%	0.402	C	S	.	.	B	Isolated β-bridge	trans	-70.3	129.7	170.3	-51.6	0	0	0	0	110.7	K118 H170	K118-T177 PolarHBondContact NZ-O 2.88Å; H170-T177 WeakPolarHBondContact O-CA 3.43Å
178	M	92.1	Very high	90.7	Very high	69 Å²	69	80.9 Å²	80.9	34%	0.34	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-84.3	153.8	178	-59.2	-168	-70.5	0	0	111.3	Y152 H170 T172	Y152-M178 HydrophobicContact CE2-CB 4.29Å; Y152-M178 WeakPolarHBondContact CE2-O 3.45Å; H170-M178 PolarHBondContact O-N 3.38Å; T172-M178 HydrophobicContact CG2-CG 3.78Å; T172-M178 HydrophobicContact CG2-SD 3.87Å
179	E	93.4	Very high	90.4	Very high	108 Å²	108	80.2 Å²	80.2	51%	0.505	45%	0.447	S	S	.	.			trans	-137.7	138.5	175.4	-62.9	-173.9	-171.1	0	0	110.6	G156 K157 A181 V184	G156-E179 CarbonylContact O-C 3.54Å; G156-E179 VanDerWaalsContact O-CA 3.22Å; G156-E179 WeakPolarHBondContact O-CA 3.26Å; K157-E179 HydrophobicContact CB-CG 3.89Å; E179-A181 PolarHBondContact O-N 3.46Å; E179-V184 HydrophobicContact CB-CG2 4.32Å
180	K	94.6	Very high	90.3	Very high	73 Å²	73	86 Å²	86	32%	0.317	46%	0.463	S	S	.	.			trans	-90.5	96.8	171.2	-61.4	173.8	-179.5	165.3	0	108.5	Y152 D153 G156 E182 L183 V184	Y152-K180 HydrophobicContact CE1-CD 4.35Å; Y152-K180 VanDerWaalsContact CE1-CE 3.44Å; Y152-K180 HydrophobicContact CE1-CG 4.47Å; Y152-K180 HydrophobicContact CE2-CG 4.04Å; D153-K180 IonicContact OD1-NZ 3.72Å; D153-K180 PolarHBondContact OD1-NZ 3.19Å; G156-K180 PolarHBondContact O-N 3.03Å; K180-E182 VanDerWaalsContact C-N 3.29Å; K180-E182 PolarHBondContact O-N 3.01Å; K180-L183 HydrophobicContact CB-CB 4.38Å; K180-L183 HydrophobicContact CB-CD1 4.29Å; K180-L183 HydrophobicContact CD-CD1 3.83Å; K180-L183 PolarHBondContact O-N 3.35Å; K180-L183 VanDerWaalsContact O-N 3.12Å; K180-V184 WeakPolarHBondContact O-CG2 3.42Å; K180-V184 PolarHBondContact O-N 3.34Å
181	A	93.4	Very high	90.1	Very high	78 Å²	78	90.4 Å²	90.4	65%	0.645	49%	0.49	S	S	*	.	H	α-helix	trans	-52.8	-40.3	-170.6	0	0	0	0	0	114.3	E179 V184 K185	E179-A181 PolarHBondContact O-N 3.46Å; A181-V184 PolarHBondContact O-N 2.93Å; A181-K185 WeakPolarHBondContact O-CB 3.06Å; A181-K185 PolarHBondContact O-N 3.11Å
182	E	93.9	Very high	90.2	Very high	176 Å²	176	90.3 Å²	90.3	82%	0.822	49%	0.489	S	S	*	.	H	α-helix	trans	-62.9	-45.1	179.6	-64.5	179.9	176.3	0	0	112.6	K180 K185 A186	K180-E182 VanDerWaalsContact C-N 3.29Å; K180-E182 PolarHBondContact O-N 3.01Å; E182-K185 PolarHBondContact O-N 3.47Å; E182-A186 WeakPolarHBondContact O-CB 3.35Å; E182-A186 PolarHBondContact O-N 3.21Å
183	L	93.8	Very high	90.6	Very high	56 Å²	56	89.3 Å²	89.3	29%	0.293	48%	0.482	S	S	.	.	H	α-helix	trans	-69.3	-41.4	177.4	-70.9	177.6	0	0	0	111.2	K180 K185 A186 Y187	K180-L183 HydrophobicContact CB-CB 4.38Å; K180-L183 HydrophobicContact CB-CD1 4.29Å; K180-L183 HydrophobicContact CD-CD1 3.83Å; K180-L183 PolarHBondContact O-N 3.35Å; K180-L183 VanDerWaalsContact O-N 3.12Å; L183-K185 VanDerWaalsContact C-N 3.27Å; L183-K185 PolarHBondContact O-N 3.3Å; L183-A186 WeakPolarHBondContact O-CB 3.27Å; L183-A186 PolarHBondContact O-N 3.09Å; L183-A186 VanDerWaalsContact O-N 3.09Å; L183-Y187 WeakPolarHBondContact O-CD2 3.45Å; L183-Y187 PolarHBondContact O-N 3.29Å; L183-Y187 VanDerWaalsContact O-N 3.1Å
184	V	93.1	Very high	91.1	Very high	25 Å²	25	88.7 Å²	88.7	15%	0.152	46%	0.462	C	S	.	.	H	α-helix	trans	-58.3	-43.6	176.4	174.6	0	0	0	0	110.6	K157 E179 K180 A181 Y187 E188	K157-V184 HydrophobicContact CB-CG2 3.98Å; K157-V184 HydrophobicContact CD-CG1 4.23Å; K157-V184 HydrophobicContact CD-CG2 3.99Å; K157-V184 HydrophobicContact CG-CG2 4.03Å; E179-V184 HydrophobicContact CB-CG2 4.32Å; K180-V184 WeakPolarHBondContact O-CG2 3.42Å; K180-V184 PolarHBondContact O-N 3.34Å; A181-V184 PolarHBondContact O-N 2.93Å; V184-Y187 PolarHBondContact O-N 2.89Å; V184-E188 PolarHBondContact O-N 2.93Å
185	K	93.4	Very high	91.7	Very high	162 Å²	162	83.8 Å²	83.8	70%	0.704	44%	0.436	S	S	*	.	H	α-helix	trans	-64.6	-38	175.6	-170.9	178.2	-179.2	-178.9	0	112.4	A181 E182 L183 Y187 E188	A181-K185 WeakPolarHBondContact O-CB 3.06Å; A181-K185 PolarHBondContact O-N 3.11Å; E182-K185 PolarHBondContact O-N 3.47Å; L183-K185 VanDerWaalsContact C-N 3.27Å; L183-K185 PolarHBondContact O-N 3.3Å; K185-Y187 VanDerWaalsContact C-N 3.27Å; K185-Y187 PolarHBondContact O-N 3.3Å; K185-E188 WeakPolarHBondContact O-CB 3.5Å; K185-E188 PolarHBondContact O-N 3.28Å
186	A	92.8	Very high	92.1	Very high	65 Å²	65	82.4 Å²	82.4	54%	0.537	44%	0.438	S	S	.	.	H	α-helix	trans	-65.5	-28.6	178.1	0	0	0	0	0	113.6	E182 L183	E182-A186 WeakPolarHBondContact O-CB 3.35Å; E182-A186 PolarHBondContact O-N 3.21Å; L183-A186 WeakPolarHBondContact O-CB 3.27Å; L183-A186 PolarHBondContact O-N 3.09Å; L183-A186 VanDerWaalsContact O-N 3.09Å
187	Y	90.7	Very high	92.6	Very high	71 Å²	71	77 Å²	77	28%	0.278	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	0.9	177.8	-73.9	-84.7	0	0	0	113.8	T154 F155 L183 V184 K185 G189 R190 L192	T154-Y187 WeakPolarHBondContact O-CE2 3.41Å; F155-Y187 AromaticContact CD1-CD1 3.93Å; F155-Y187 HydrophobicContact CD1-CD1 3.93Å; F155-Y187 HydrophobicContact CD1-CD2 4.21Å; F155-Y187 AromaticContact CD1-CE1 3.88Å; F155-Y187 HydrophobicContact CD1-CE1 3.88Å; F155-Y187 HydrophobicContact CD1-CE2 4.18Å; F155-Y187 HydrophobicContact CD1-CG 4.1Å; F155-Y187 HydrophobicContact CE1-CD1 4.31Å; F155-Y187 AromaticContact CE1-CE1 3.96Å; F155-Y187 HydrophobicContact CE1-CE1 3.96Å; L183-Y187 WeakPolarHBondContact O-CD2 3.45Å; L183-Y187 PolarHBondContact O-N 3.29Å; L183-Y187 VanDerWaalsContact O-N 3.1Å; V184-Y187 PolarHBondContact O-N 2.89Å; K185-Y187 VanDerWaalsContact C-N 3.27Å; K185-Y187 PolarHBondContact O-N 3.3Å; Y187-G189 PolarHBondContact O-N 2.99Å; Y187-R190 PolarHBondContact O-N 3.21Å; Y187-L192 HydrophobicContact CD1-CD1 4.36Å; Y187-L192 HydrophobicContact CD1-CD2 4.21Å; Y187-L192 HydrophobicContact CE1-CD1 4.46Å; Y187-L192 HydrophobicContact CE1-CD2 4.24Å
188	E	90	Very high	93	Very high	151 Å²	151	78.6 Å²	78.6	71%	0.706	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	130	178.9	-169.2	169	-156.5	0	0	110.7	V184 K185 R190	V184-E188 PolarHBondContact O-N 2.93Å; K185-E188 WeakPolarHBondContact O-CB 3.5Å; K185-E188 PolarHBondContact O-N 3.28Å; E188-R190 PolarHBondContact O-N 3.03Å
189	G	85.8	Confident	93.1	Very high	80 Å²	80	82.7 Å²	82.7	83%	0.825	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.7	-7.2	-178.1	0	0	0	0	0	115.9	Y187	Y187-G189 PolarHBondContact O-N 2.99Å
190	R	90.7	Very high	93.3	Very high	147 Å²	147	81.8 Å²	81.8	56%	0.555	44%	0.442	S	S	*	.			trans	-75.7	131.4	174.2	-89.1	-173.8	170.7	-171.1	-1.9	111.4	Y187 E188 L192	Y187-R190 PolarHBondContact O-N 3.21Å; E188-R190 PolarHBondContact O-N 3.03Å; R190-L192 HydrophobicContact CB-CD2 4.35Å
191	T	89.6	Confident	93.4	Very high	93 Å²	93	78.5 Å²	78.5	57%	0.571	43%	0.428	S	S	*	.			trans	-104.4	91.3	170.8	-58.1	0	0	0	0	109.4	K194	T191-K194 HydrophobicContact CG2-CG 4.22Å
192	L	93.7	Very high	93.5	Very high	27 Å²	27	75.4 Å²	75.4	14%	0.141	40%	0.4	C	S	.	.	S	Bend	trans	-66.5	-38.5	-177.7	-55.1	178.2	0	0	0	112.3	F155 Y187 R190 H346 E347	F155-L192 HydrophobicContact CD1-CD1 4.04Å; F155-L192 HydrophobicContact CE1-CD1 3.29Å; F155-L192 HydrophobicContact CZ-CD1 3.81Å; Y187-L192 HydrophobicContact CD1-CD1 4.36Å; Y187-L192 HydrophobicContact CD1-CD2 4.21Å; Y187-L192 HydrophobicContact CE1-CD1 4.46Å; Y187-L192 HydrophobicContact CE1-CD2 4.24Å; R190-L192 HydrophobicContact CB-CD2 4.35Å; L192-H346 CarbonylContact O-C 3.58Å; L192-H346 VanDerWaalsContact O-CA 3.28Å; L192-H346 WeakPolarHBondContact O-CA 3.38Å; L192-H346 PolarHBondContact O-CD2 2.99Å; L192-E347 VanDerWaalsContact CD2-CD 3.42Å; L192-E347 HydrophobicContact CD2-CG 4.26Å; L192-E347 WeakPolarHBondContact CD2-OE1 3.46Å; L192-E347 PolarHBondContact O-N 3.45Å
193	V	95.4	Very high	93.7	Very high	33 Å²	33	74 Å²	74	20%	0.2	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	117.8	-179.1	-178.8	0	0	0	0	110.7	L308 K344 R345	V193-L308 HydrophobicContact CG1-CD2 3.99Å; V193-L308 HydrophobicContact CG2-CD2 4.07Å; V193-K344 HydrophobicContact CG1-CB 4.02Å; V193-K344 HydrophobicContact CG1-CD 4.05Å; V193-K344 HydrophobicContact CG1-CG 4.2Å; V193-R345 CarbonylContact C-O 3.51Å; V193-R345 VanDerWaalsContact CA-O 3.27Å; V193-R345 WeakPolarHBondContact CA-O 3.31Å
194	K	95.8	Very high	93.9	Very high	83 Å²	83	74.6 Å²	74.6	36%	0.361	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	176.1	178.3	-56.7	-174.2	-171.3	-177.5	0	111.8	T191 S196 R345 D376	T191-K194 HydrophobicContact CG2-CG 4.22Å; K194-S196 VanDerWaalsContact C-N 3.34Å; K194-S196 PolarHBondContact O-N 2.96Å; K194-R345 PolarHBondContact N-O 2.91Å; K194-R345 PolarHBondContact O-N 2.75Å; K194-D376 HydrophobicContact CD-CB 4.05Å; K194-D376 WeakPolarHBondContact CD-OD2 3.41Å; K194-D376 WeakPolarHBondContact CE-OD2 3.2Å; K194-D376 IonicContact NZ-OD2 3.43Å; K194-D376 PolarHBondContact NZ-OD2 2.97Å
195	N	96.4	Very high	94	Very high	15 Å²	15	73.6 Å²	73.6	8%	0.08	38%	0.381	C	S	.	.			trans	66.2	28.5	174	-50.5	-17.5	0	0	0	114.7	L343 T375 D376	N195-L343 VanDerWaalsContact CB-O 3.24Å; N195-L343 WeakPolarHBondContact CB-O 3.47Å; N195-L343 PolarHBondContact ND2-O 3.33Å; N195-T375 HydrophobicContact CB-CG2 4.12Å; N195-T375 WeakPolarHBondContact OD1-CA 3.46Å; N195-D376 PolarHBondContact ND2-O 3.48Å; N195-D376 PolarHBondContact OD1-N 3.47Å
196	S	93.6	Very high	94.1	Very high	69 Å²	69	73.1 Å²	73.1	48%	0.483	38%	0.375	S	S	.	.			trans	-74.2	131.3	172.3	-70.6	0	0	0	0	110.9	K194 S198 K344	K194-S196 VanDerWaalsContact C-N 3.34Å; K194-S196 PolarHBondContact O-N 2.96Å; S196-S198 PolarHBondContact O-N 3.39Å; S196-K344 WeakPolarHBondContact OG-CE 3.14Å
197	L	95.3	Very high	94.3	Very high	12 Å²	12	76.4 Å²	76.4	6%	0.063	38%	0.377	C	S	.	.			trans	-67.4	112.9	175.2	176.6	60.4	0	0	0	110.9	L201 Q202 L205 W340	L197-L201 HydrophobicContact CD1-CB 3.99Å; L197-L201 HydrophobicContact CD1-CD2 3.83Å; L197-L201 HydrophobicContact CD1-CG 3.84Å; L197-Q202 HydrophobicContact CD1-CB 4.18Å; L197-Q202 HydrophobicContact CD2-CB 3.84Å; L197-Q202 HydrophobicContact CD2-CG 4.08Å; L197-Q202 HydrophobicContact CG-CB 3.95Å; L197-L205 HydrophobicContact CD1-CD1 4.27Å; L197-W340 HydrophobicContact CB-CB 3.86Å; L197-W340 HydrophobicContact CB-CD2 3.82Å; L197-W340 HydrophobicContact CB-CE3 3.86Å; L197-W340 HydrophobicContact CB-CG 3.85Å; L197-W340 HydrophobicContact CD1-CD2 3.81Å; L197-W340 HydrophobicContact CD1-CE3 4.08Å; L197-W340 HydrophobicContact CD1-CG 4.31Å; L197-W340 HydrophobicContact CD1-CH2 4.25Å; L197-W340 HydrophobicContact CD1-CZ2 3.98Å; L197-W340 HydrophobicContact CD1-CZ3 4.29Å; L197-W340 HydrophobicContact CD2-CB 4.13Å; L197-W340 HydrophobicContact CD2-CD2 4.12Å; L197-W340 HydrophobicContact CD2-CG 3.71Å; L197-W340 HydrophobicContact CG-CD2 4.12Å; L197-W340 HydrophobicContact CG-CE3 4.47Å; L197-W340 HydrophobicContact CG-CG 4.16Å
198	S	95.6	Very high	94.5	Very high	58 Å²	58	83.8 Å²	83.8	41%	0.406	40%	0.404	S	S	.	.			trans	-68.8	153.2	174	77.3	0	0	0	0	111.6	S196 D200 L201 Q202	S196-S198 PolarHBondContact O-N 3.39Å; S198-D200 VanDerWaalsContact C-N 3.32Å; S198-D200 PolarHBondContact O-N 3.18Å; S198-L201 PolarHBondContact O-N 2.75Å; S198-L201 VanDerWaalsContact OG-CB 3.29Å; S198-L201 WeakPolarHBondContact OG-CB 3.25Å; S198-L201 PolarHBondContact OG-N 3.19Å; S198-Q202 WeakPolarHBondContact O-CB 3.43Å; S198-Q202 PolarHBondContact O-N 2.99Å
199	K	94.3	Very high	94.8	Very high	154 Å²	154	79.6 Å²	79.6	67%	0.67	39%	0.392	S	S	*	.	H	α-helix	trans	-64.8	-37.2	178.9	-68.8	-62.7	-178.2	-173.9	0	112.7	Q202 Y203	K199-Q202 PolarHBondContact O-N 3Å; K199-Y203 WeakPolarHBondContact O-CB 3.31Å; K199-Y203 PolarHBondContact O-N 2.57Å
200	D	96.5	Very high	95.3	Very high	90 Å²	90	76.5 Å²	76.5	48%	0.481	36%	0.356	S	S	.	.	H	α-helix	trans	-60.5	-54	174.4	170.9	69.7	0	0	0	111.4	S198 Q202 Y203 R204	S198-D200 VanDerWaalsContact C-N 3.32Å; S198-D200 PolarHBondContact O-N 3.18Å; D200-Q202 VanDerWaalsContact C-N 3.29Å; D200-Q202 PolarHBondContact O-N 2.83Å; D200-Y203 WeakPolarHBondContact O-CB 3.5Å; D200-Y203 PolarHBondContact O-N 3.36Å; D200-Y203 VanDerWaalsContact O-N 3.09Å; D200-R204 PolarHBondContact O-N 2.87Å; D200-R204 IonicContact OD1-NE 2.7Å; D200-R204 IonicContact OD2-CZ 2.65Å; D200-R204 IonicContact OD2-NE 3.19Å; D200-R204 PolarHBondContact OD2-NE 3.41Å; D200-R204 IonicContact OD2-NH2 2.75Å; D200-R204 PolarHBondContact OD2-NH2 3.02Å
201	L	96.8	Very high	95.5	Very high	4 Å²	4	73.5 Å²	73.5	2%	0.021	36%	0.355	C	S	.	.	H	α-helix	trans	-61.2	-41.4	179.8	179.9	59.8	0	0	0	111.2	L197 S198 Y203 R204 L205 V210 W340 L370 Y374	L197-L201 HydrophobicContact CD1-CB 3.99Å; L197-L201 HydrophobicContact CD1-CD2 3.83Å; L197-L201 HydrophobicContact CD1-CG 3.84Å; S198-L201 PolarHBondContact O-N 2.75Å; S198-L201 VanDerWaalsContact OG-CB 3.29Å; S198-L201 WeakPolarHBondContact OG-CB 3.25Å; S198-L201 PolarHBondContact OG-N 3.19Å; L201-Y203 VanDerWaalsContact C-N 3.32Å; L201-Y203 PolarHBondContact O-N 2.98Å; L201-R204 PolarHBondContact O-N 3.29Å; L201-L205 HydrophobicContact CD1-CD1 4.19Å; L201-L205 HydrophobicContact CD1-CG 4.13Å; L201-L205 HydrophobicContact CG-CD1 3.91Å; L201-L205 HydrophobicContact CG-CG 4.33Å; L201-L205 WeakPolarHBondContact O-CB 3.35Å; L201-L205 VanDerWaalsContact O-CG 3.26Å; L201-L205 WeakPolarHBondContact O-CG 3.29Å; L201-L205 PolarHBondContact O-N 2.64Å; L201-V210 HydrophobicContact CD1-CG2 4.04Å; L201-W340 HydrophobicContact CD2-CH2 3.57Å; L201-W340 HydrophobicContact CD2-CZ2 4.06Å; L201-W340 HydrophobicContact CD2-CZ3 4.21Å; L201-L370 HydrophobicContact CD1-CD1 4.46Å; L201-Y374 HydrophobicContact CD1-CD1 4.16Å; L201-Y374 HydrophobicContact CD1-CD2 4.08Å; L201-Y374 HydrophobicContact CD1-CE1 3.86Å; L201-Y374 HydrophobicContact CD1-CE2 3.79Å; L201-Y374 HydrophobicContact CD1-CG 4.25Å; L201-Y374 HydrophobicContact CD2-CD1 3.6Å; L201-Y374 HydrophobicContact CD2-CD2 3.97Å; L201-Y374 HydrophobicContact CD2-CE1 4.15Å; L201-Y374 HydrophobicContact CD2-CE2 4.5Å; L201-Y374 HydrophobicContact CD2-CG 3.48Å; L201-Y374 VanDerWaalsContact CD2-CG 3.48Å; L201-Y374 HydrophobicContact CG-CD1 4.42Å
202	Q	97.1	Very high	95.9	Very high	12 Å²	12	69.9 Å²	69.9	6%	0.056	33%	0.331	C	S	.	.	H	α-helix	trans	-57.6	-44.3	174.9	179.4	165.5	69.6	0	0	112.2	L197 S198 K199 D200 R206 G335	L197-Q202 HydrophobicContact CD1-CB 4.18Å; L197-Q202 HydrophobicContact CD2-CB 3.84Å; L197-Q202 HydrophobicContact CD2-CG 4.08Å; L197-Q202 HydrophobicContact CG-CB 3.95Å; S198-Q202 WeakPolarHBondContact O-CB 3.43Å; S198-Q202 PolarHBondContact O-N 2.99Å; K199-Q202 PolarHBondContact O-N 3Å; D200-Q202 VanDerWaalsContact C-N 3.29Å; D200-Q202 PolarHBondContact O-N 2.83Å; Q202-R206 VanDerWaalsContact NE2-NH2 3.18Å; Q202-R206 VanDerWaalsContact O-CG 3.31Å; Q202-R206 WeakPolarHBondContact O-CG 3.27Å; Q202-R206 PolarHBondContact O-N 3.14Å; Q202-R206 VanDerWaalsContact O-N 3.09Å; Q202-G335 PolarHBondContact NE2-O 3.33Å
203	Y	96.9	Very high	96	Very high	146 Å²	146	75.5 Å²	75.5	57%	0.573	35%	0.354	S	S	*	.	H	α-helix	trans	-62.9	-48.4	177.2	177.8	-94.3	0	0	0	111	K199 D200 L201 L205 R206 K207	K199-Y203 WeakPolarHBondContact O-CB 3.31Å; K199-Y203 PolarHBondContact O-N 2.57Å; D200-Y203 WeakPolarHBondContact O-CB 3.5Å; D200-Y203 PolarHBondContact O-N 3.36Å; D200-Y203 VanDerWaalsContact O-N 3.09Å; L201-Y203 VanDerWaalsContact C-N 3.32Å; L201-Y203 PolarHBondContact O-N 2.98Å; Y203-L205 PolarHBondContact O-N 2.81Å; Y203-R206 PolarHBondContact O-N 3.28Å; Y203-K207 HydrophobicContact CD1-CG 4.27Å; Y203-K207 HydrophobicContact CD2-CG 4.48Å; Y203-K207 HydrophobicContact CE1-CG 3.84Å; Y203-K207 HydrophobicContact CE2-CG 4.1Å; Y203-K207 WeakPolarHBondContact O-CB 3.36Å; Y203-K207 WeakPolarHBondContact O-CG 3.44Å; Y203-K207 PolarHBondContact O-N 2.79Å; Y203-K207 WeakPolarHBondContact OH-CE 3.41Å
204	R	97.8	Very high	95.9	Very high	69 Å²	69	77.7 Å²	77.7	26%	0.26	36%	0.361	S	S	.	.	H	α-helix	trans	-60.7	-41.5	178.9	-69.7	-169	-75.8	142	-1.2	112.7	D200 L201 K207 R208 S209 V210 Y374	D200-R204 PolarHBondContact O-N 2.87Å; D200-R204 IonicContact OD1-NE 2.7Å; D200-R204 IonicContact OD2-CZ 2.65Å; D200-R204 IonicContact OD2-NE 3.19Å; D200-R204 PolarHBondContact OD2-NE 3.41Å; D200-R204 IonicContact OD2-NH2 2.75Å; D200-R204 PolarHBondContact OD2-NH2 3.02Å; L201-R204 PolarHBondContact O-N 3.29Å; R204-K207 CarbonylContact O-C 3.55Å; R204-K207 PolarHBondContact O-N 3.47Å; R204-R208 PolarHBondContact O-N 3.22Å; R204-S209 VanDerWaalsContact CA-OG 3.31Å; R204-S209 WeakPolarHBondContact CA-OG 3.31Å; R204-S209 WeakPolarHBondContact CB-OG 3.21Å; R204-S209 PolarHBondContact O-N 2.8Å; R204-S209 PolarHBondContact O-OG 3.21Å; R204-V210 HydrophobicContact CB-CG2 3.69Å; R204-Y374 PolarHBondContact NH1-OH 3.13Å; R204-Y374 VanDerWaalsContact NH1-OH 3.09Å
205	L	96.9	Very high	95.9	Very high	5 Å²	5	73.8 Å²	73.8	3%	0.026	34%	0.344	C	S	.	.	H	α-helix	trans	-62.3	-46.5	175.5	-72.9	169	0	0	0	112.1	L197 L201 Y203 K207 R208 V210 W340 L370	L197-L205 HydrophobicContact CD1-CD1 4.27Å; L201-L205 HydrophobicContact CD1-CD1 4.19Å; L201-L205 HydrophobicContact CD1-CG 4.13Å; L201-L205 HydrophobicContact CG-CD1 3.91Å; L201-L205 HydrophobicContact CG-CG 4.33Å; L201-L205 WeakPolarHBondContact O-CB 3.35Å; L201-L205 VanDerWaalsContact O-CG 3.26Å; L201-L205 WeakPolarHBondContact O-CG 3.29Å; L201-L205 PolarHBondContact O-N 2.64Å; Y203-L205 PolarHBondContact O-N 2.81Å; L205-K207 VanDerWaalsContact C-N 3.29Å; L205-K207 PolarHBondContact O-N 3.4Å; L205-R208 PolarHBondContact O-N 3.45Å; L205-V210 HydrophobicContact CD2-CB 4.32Å; L205-V210 HydrophobicContact CD2-CG2 3.78Å; L205-V210 HydrophobicContact CG-CG2 4.02Å; L205-W340 HydrophobicContact CD1-CZ2 3.71Å; L205-L370 HydrophobicContact CD1-CD1 4.49Å; L205-L370 HydrophobicContact CD1-CD2 4.5Å; L205-L370 HydrophobicContact CD2-CD1 3.78Å; L205-L370 HydrophobicContact CD2-CD2 4.09Å
206	R	95.7	Very high	95.9	Very high	152 Å²	152	78.2 Å²	78.2	57%	0.574	37%	0.365	S	S	*	.	H	α-helix	trans	-65.1	-33.4	178.4	-72.6	175.8	-177.2	-178.9	3.2	112.8	Q202 Y203 R208 Q334	Q202-R206 VanDerWaalsContact NE2-NH2 3.18Å; Q202-R206 VanDerWaalsContact O-CG 3.31Å; Q202-R206 WeakPolarHBondContact O-CG 3.27Å; Q202-R206 PolarHBondContact O-N 3.14Å; Q202-R206 VanDerWaalsContact O-N 3.09Å; Y203-R206 PolarHBondContact O-N 3.28Å; R206-R208 VanDerWaalsContact C-N 3.27Å; R206-Q334 WeakPolarHBondContact CG-O 3.32Å
207	K	96.6	Very high	96	Very high	134 Å²	134	79.5 Å²	79.5	58%	0.583	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-3.5	173.5	-69.1	-64.8	-171.4	174.7	0	113.5	Y203 R204 L205 S209	Y203-K207 HydrophobicContact CD1-CG 4.27Å; Y203-K207 HydrophobicContact CD2-CG 4.48Å; Y203-K207 HydrophobicContact CE1-CG 3.84Å; Y203-K207 HydrophobicContact CE2-CG 4.1Å; Y203-K207 WeakPolarHBondContact O-CB 3.36Å; Y203-K207 WeakPolarHBondContact O-CG 3.44Å; Y203-K207 PolarHBondContact O-N 2.79Å; Y203-K207 WeakPolarHBondContact OH-CE 3.41Å; R204-K207 CarbonylContact O-C 3.55Å; R204-K207 PolarHBondContact O-N 3.47Å; L205-K207 VanDerWaalsContact C-N 3.29Å; L205-K207 PolarHBondContact O-N 3.4Å; K207-S209 PolarHBondContact O-N 3.38Å
208	R	95.3	Very high	96	Very high	225 Å²	225	79.9 Å²	79.9	85%	0.849	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	34.7	-175.3	-54.5	-179.9	179	179.2	0.2	112.8	R204 L205 R206	R204-R208 PolarHBondContact O-N 3.22Å; L205-R208 PolarHBondContact O-N 3.45Å; R206-R208 VanDerWaalsContact C-N 3.27Å
209	S	95.8	Very high	95.9	Very high	64 Å²	64	79.3 Å²	79.3	45%	0.448	36%	0.356	S	S	.	.			trans	-99.1	2.8	-179.7	64.1	0	0	0	0	113.8	R204 K207 T211	R204-S209 VanDerWaalsContact CA-OG 3.31Å; R204-S209 WeakPolarHBondContact CA-OG 3.31Å; R204-S209 WeakPolarHBondContact CB-OG 3.21Å; R204-S209 PolarHBondContact O-N 2.8Å; R204-S209 PolarHBondContact O-OG 3.21Å; K207-S209 PolarHBondContact O-N 3.38Å; S209-T211 PolarHBondContact O-N 2.65Å
210	V	95.9	Very high	95.9	Very high	14 Å²	14	78.4 Å²	78.4	9%	0.085	35%	0.352	C	S	.	.			trans	-74.8	122.9	169.4	-178.7	0	0	0	0	108.6	L201 R204 L205 F212 Y374	L201-V210 HydrophobicContact CD1-CG2 4.04Å; R204-V210 HydrophobicContact CB-CG2 3.69Å; L205-V210 HydrophobicContact CD2-CB 4.32Å; L205-V210 HydrophobicContact CD2-CG2 3.78Å; L205-V210 HydrophobicContact CG-CG2 4.02Å; V210-F212 HydrophobicContact CB-CE2 4.12Å; V210-F212 HydrophobicContact CB-CZ 4.07Å; V210-F212 HydrophobicContact CG1-CE1 3.93Å; V210-F212 HydrophobicContact CG1-CE2 4.03Å; V210-F212 HydrophobicContact CG1-CZ 3.64Å; V210-F212 WeakPolarHBondContact O-CD2 3.42Å; V210-F212 WeakPolarHBondContact O-CE2 3.27Å; V210-Y374 HydrophobicContact CG1-CE2 4.47Å
211	T	94.9	Very high	95.8	Very high	85 Å²	85	78.8 Å²	78.8	52%	0.521	35%	0.352	S	S	.	.			trans	-83.7	140	175.3	-45.5	0	0	0	0	110.5	S209 K213	S209-T211 PolarHBondContact O-N 2.65Å; T211-K213 HydrophobicContact CG2-CG 3.65Å
212	F	96.9	Very high	95.4	Very high	16 Å²	16	80.5 Å²	80.5	7%	0.07	36%	0.361	C	S	.	.			trans	-122.6	66.1	179.4	-64	-76.3	0	0	0	110	V210 K214 S215 E216 L333 R366 E369 L370	V210-F212 HydrophobicContact CB-CE2 4.12Å; V210-F212 HydrophobicContact CB-CZ 4.07Å; V210-F212 HydrophobicContact CG1-CE1 3.93Å; V210-F212 HydrophobicContact CG1-CE2 4.03Å; V210-F212 HydrophobicContact CG1-CZ 3.64Å; V210-F212 WeakPolarHBondContact O-CD2 3.42Å; V210-F212 WeakPolarHBondContact O-CE2 3.27Å; F212-K214 PolarHBondContact O-N 2.86Å; F212-S215 PolarHBondContact O-N 2.93Å; F212-E216 WeakPolarHBondContact O-CB 3.46Å; F212-E216 VanDerWaalsContact O-CG 3.29Å; F212-E216 WeakPolarHBondContact O-CG 3.46Å; F212-E216 PolarHBondContact O-N 2.83Å; F212-L333 HydrophobicContact CE1-CD2 4.19Å; F212-L333 HydrophobicContact CE2-CD2 4.08Å; F212-L333 HydrophobicContact CZ-CD2 3.55Å; F212-R366 HydrophobicContact CB-CG 3.9Å; F212-R366 HydrophobicContact CD1-CB 4.1Å; F212-R366 HydrophobicContact CD1-CG 4.35Å; F212-R366 WeakPolarHBondContact CD1-O 3.36Å; F212-R366 HydrophobicContact CD2-CB 4.27Å; F212-R366 HydrophobicContact CD2-CG 4.05Å; F212-R366 HydrophobicContact CE1-CB 4.36Å; F212-R366 VanDerWaalsContact CE1-O 3.25Å; F212-R366 WeakPolarHBondContact CE1-O 3.22Å; F212-R366 HydrophobicContact CG-CB 4.05Å; F212-R366 HydrophobicContact CG-CG 3.84Å; F212-E369 VanDerWaalsContact C-OE2 3.26Å; F212-E369 WeakPolarHBondContact CA-OE2 3.44Å; F212-E369 WeakPolarHBondContact CB-OE2 3.27Å; F212-E369 HydrophobicContact CD1-CB 4.12Å; F212-E369 HydrophobicContact CD1-CG 4.16Å; F212-L370 HydrophobicContact CE1-CB 3.92Å; F212-L370 HydrophobicContact CE1-CD1 4.19Å; F212-L370 HydrophobicContact CZ-CD1 4.28Å
213	K	95.8	Very high	95	Very high	145 Å²	145	82.4 Å²	82.4	63%	0.63	38%	0.376	S	S	*	.	H	α-helix	trans	-58.5	-48.7	-169.8	-65	-174.2	179.5	-178.3	0	111.6	T211 S215 E216 E217 E369	T211-K213 HydrophobicContact CG2-CG 3.65Å; K213-S215 VanDerWaalsContact C-N 3.3Å; K213-S215 PolarHBondContact O-N 2.91Å; K213-E216 PolarHBondContact O-N 3.37Å; K213-E217 WeakPolarHBondContact O-CG 3.47Å; K213-E217 PolarHBondContact O-N 2.81Å; K213-E369 PolarHBondContact N-OE1 2.87Å
214	K	94.9	Very high	94.5	Very high	80 Å²	80	78.7 Å²	78.7	35%	0.348	37%	0.365	S	S	.	.	H	α-helix	trans	-65.6	-37.1	-178.6	-63	-174.3	177.6	179.8	0	111.1	F212 Y218 E369 Y416 V417	F212-K214 PolarHBondContact O-N 2.86Å; K214-Y218 PolarHBondContact O-N 3.43Å; K214-Y218 VanDerWaalsContact O-N 3.15Å; K214-E369 PolarHBondContact N-OE1 2.95Å; K214-Y416 HydrophobicContact CB-CD1 4.4Å; K214-Y416 HydrophobicContact CB-CE1 4.16Å; K214-Y416 VanDerWaalsContact O-CE1 3.27Å; K214-Y416 WeakPolarHBondContact O-CE1 3.49Å; K214-V417 HydrophobicContact CB-CB 4.37Å; K214-V417 HydrophobicContact CB-CG1 3.72Å
215	S	96.1	Very high	93.6	Very high	0 Å²	0	79.6 Å²	79.6	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-66.2	-44.3	175.3	-57.2	0	0	0	0	112.1	F212 K213 E217 Y218 L219 T365 R366 E369	F212-S215 PolarHBondContact O-N 2.93Å; K213-S215 VanDerWaalsContact C-N 3.3Å; K213-S215 PolarHBondContact O-N 2.91Å; S215-E217 VanDerWaalsContact C-N 3.35Å; S215-Y218 PolarHBondContact O-N 3.34Å; S215-L219 WeakPolarHBondContact O-CB 3.39Å; S215-L219 WeakPolarHBondContact O-CD1 3.37Å; S215-L219 WeakPolarHBondContact O-CG 3.32Å; S215-L219 PolarHBondContact O-N 2.88Å; S215-T365 PolarHBondContact OG-O 2.79Å; S215-R366 WeakPolarHBondContact OG-CA 3.29Å; S215-R366 PolarHBondContact OG-N 3.25Å; S215-E369 VanDerWaalsContact CB-OE2 3.23Å; S215-E369 WeakPolarHBondContact CB-OE2 3.28Å; S215-E369 PolarHBondContact N-OE2 2.82Å; S215-E369 PolarHBondContact OG-OE2 3.45Å
216	E	96.5	Very high	92.7	Very high	109 Å²	109	83.8 Å²	83.8	51%	0.509	39%	0.394	S	S	.	.	H	α-helix	trans	-61.3	-43	178.7	-74.6	165.2	-162.2	0	0	111.3	F212 K213 L219 K220	F212-E216 WeakPolarHBondContact O-CB 3.46Å; F212-E216 VanDerWaalsContact O-CG 3.29Å; F212-E216 WeakPolarHBondContact O-CG 3.46Å; F212-E216 PolarHBondContact O-N 2.83Å; K213-E216 PolarHBondContact O-N 3.37Å; E216-L219 PolarHBondContact O-N 3.4Å; E216-K220 WeakPolarHBondContact O-CB 3.43Å; E216-K220 PolarHBondContact O-N 3.48Å
217	E	95.6	Very high	91.5	Very high	95 Å²	95	80.3 Å²	80.3	44%	0.444	39%	0.386	S	S	.	.	H	α-helix	trans	-56.4	-52.2	172.6	-73.2	169.1	-163.1	0	0	112.1	K213 S215 L219 K220 M221 Y416	K213-E217 WeakPolarHBondContact O-CG 3.47Å; K213-E217 PolarHBondContact O-N 2.81Å; S215-E217 VanDerWaalsContact C-N 3.35Å; E217-L219 VanDerWaalsContact C-N 3.34Å; E217-L219 PolarHBondContact O-N 2.98Å; E217-K220 PolarHBondContact O-N 3.13Å; E217-M221 WeakPolarHBondContact O-CG 3.43Å; E217-M221 PolarHBondContact O-N 2.81Å; E217-Y416 HydrophobicContact CB-CE1 4.39Å; E217-Y416 PolarHBondContact OE2-OH 3.22Å
218	Y	94.5	Very high	90.3	Very high	20 Å²	20	79.9 Å²	79.9	8%	0.078	38%	0.384	C	S	.	.	H	α-helix	trans	-61.7	-42.3	-179.9	173.9	-104.4	0	0	0	112.2	K214 S215 K220 M221 L222 T365 Q409 K412 G413 Y416	K214-Y218 PolarHBondContact O-N 3.43Å; K214-Y218 VanDerWaalsContact O-N 3.15Å; S215-Y218 PolarHBondContact O-N 3.34Å; Y218-K220 VanDerWaalsContact C-N 3.31Å; Y218-K220 PolarHBondContact O-N 2.89Å; Y218-M221 WeakPolarHBondContact O-CB 3.44Å; Y218-M221 PolarHBondContact O-N 3.34Å; Y218-L222 HydrophobicContact CD1-CD1 4.02Å; Y218-L222 HydrophobicContact CD1-CG 4.46Å; Y218-L222 HydrophobicContact CE1-CD1 3.29Å; Y218-L222 HydrophobicContact CE1-CG 3.92Å; Y218-L222 HydrophobicContact CE2-CD1 4.45Å; Y218-L222 HydrophobicContact CE2-CD2 4.49Å; Y218-L222 HydrophobicContact CE2-CG 4.24Å; Y218-L222 PolarHBondContact O-N 3.36Å; Y218-T365 HydrophobicContact CD1-CG2 4.07Å; Y218-Q409 PolarHBondContact OH-O 3.09Å; Y218-K412 HydrophobicContact CE2-CB 4.38Å; Y218-K412 WeakPolarHBondContact OH-CB 3.41Å; Y218-G413 VanDerWaalsContact CZ-N 3.3Å; Y218-G413 PolarHBondContact OH-N 2.94Å; Y218-Y416 HydrophobicContact CD2-CD2 4.43Å; Y218-Y416 HydrophobicContact CD2-CG 4.22Å; Y218-Y416 HydrophobicContact CG-CG 4.49Å
219	L	94.1	Very high	89	Confident	46 Å²	46	76 Å²	76	24%	0.241	37%	0.374	C	S	.	.	H	α-helix	trans	-66.6	-34.8	-180	-68.2	168.3	0	0	0	111.9	S215 E216 E217 L222 S223 D362	S215-L219 WeakPolarHBondContact O-CB 3.39Å; S215-L219 WeakPolarHBondContact O-CD1 3.37Å; S215-L219 WeakPolarHBondContact O-CG 3.32Å; S215-L219 PolarHBondContact O-N 2.88Å; E216-L219 PolarHBondContact O-N 3.4Å; E217-L219 VanDerWaalsContact C-N 3.34Å; E217-L219 PolarHBondContact O-N 2.98Å; L219-L222 HydrophobicContact CD2-CD1 4.46Å; L219-L222 PolarHBondContact O-N 2.96Å; L219-S223 PolarHBondContact O-N 3.28Å; L219-S223 VanDerWaalsContact O-N 3.09Å; L219-D362 HydrophobicContact CD1-CB 3.92Å; L219-D362 HydrophobicContact CD2-CB 3.98Å
220	K	94.4	Very high	87.5	Confident	135 Å²	135	77.2 Å²	77.2	59%	0.587	37%	0.372	S	S	*	.	H	α-helix	trans	-65.2	-44.5	171.7	-172.9	-178.8	177.1	-175.1	0	111.8	E216 E217 Y218 L222 S223 D224	E216-K220 WeakPolarHBondContact O-CB 3.43Å; E216-K220 PolarHBondContact O-N 3.48Å; E217-K220 PolarHBondContact O-N 3.13Å; Y218-K220 VanDerWaalsContact C-N 3.31Å; Y218-K220 PolarHBondContact O-N 2.89Å; K220-L222 PolarHBondContact O-N 2.93Å; K220-S223 WeakPolarHBondContact CA-OG 3.47Å; K220-S223 PolarHBondContact O-N 3.21Å; K220-S223 VanDerWaalsContact O-N 3.13Å; K220-S223 PolarHBondContact O-OG 2.96Å; K220-D224 PolarHBondContact O-N 3.03Å
221	M	92.4	Very high	85.4	Confident	99 Å²	99	83.4 Å²	83.4	49%	0.488	40%	0.4	S	S	.	.	H	α-helix	trans	-58.7	-35.9	174.6	-68.3	178.3	64.1	0	0	112.3	E217 Y218 N225	E217-M221 WeakPolarHBondContact O-CG 3.43Å; E217-M221 PolarHBondContact O-N 2.81Å; Y218-M221 WeakPolarHBondContact O-CB 3.44Å; Y218-M221 PolarHBondContact O-N 3.34Å; M221-N225 WeakPolarHBondContact O-CB 3.26Å; M221-N225 VanDerWaalsContact O-CG 3.25Å; M221-N225 PolarHBondContact O-N 2.81Å; M221-N225 PolarHBondContact O-ND2 2.85Å; M221-N225 VanDerWaalsContact O-ND2 3.12Å
222	L	89.6	Confident	83.5	Confident	40 Å²	40	86.1 Å²	86.1	21%	0.209	41%	0.407	C	S	.	.	H	α-helix	trans	-69.1	-38.9	175.7	-77.3	-178.7	0	0	0	113.2	Y218 L219 K220 K226 P361 Q409	Y218-L222 HydrophobicContact CD1-CD1 4.02Å; Y218-L222 HydrophobicContact CD1-CG 4.46Å; Y218-L222 HydrophobicContact CE1-CD1 3.29Å; Y218-L222 HydrophobicContact CE1-CG 3.92Å; Y218-L222 HydrophobicContact CE2-CD1 4.45Å; Y218-L222 HydrophobicContact CE2-CD2 4.49Å; Y218-L222 HydrophobicContact CE2-CG 4.24Å; Y218-L222 PolarHBondContact O-N 3.36Å; L219-L222 HydrophobicContact CD2-CD1 4.46Å; L219-L222 PolarHBondContact O-N 2.96Å; K220-L222 PolarHBondContact O-N 2.93Å; L222-K226 PolarHBondContact O-N 3.25Å; L222-P361 HydrophobicContact CD1-CB 4.43Å; L222-Q409 HydrophobicContact CD1-CB 4.27Å; L222-Q409 HydrophobicContact CD1-CG 4.24Å; L222-Q409 HydrophobicContact CD2-CG 4.02Å
223	S	87.6	Confident	81	Confident	52 Å²	52	89.1 Å²	89.1	36%	0.364	43%	0.43	S	S	.	.	H	α-helix	trans	-67.1	-46.7	176.1	53.7	0	0	0	0	111.3	L219 K220 N225 K226 D227	L219-S223 PolarHBondContact O-N 3.28Å; L219-S223 VanDerWaalsContact O-N 3.09Å; K220-S223 WeakPolarHBondContact CA-OG 3.47Å; K220-S223 PolarHBondContact O-N 3.21Å; K220-S223 VanDerWaalsContact O-N 3.13Å; K220-S223 PolarHBondContact O-OG 2.96Å; S223-N225 VanDerWaalsContact C-N 3.27Å; S223-N225 PolarHBondContact O-N 3.28Å; S223-K226 WeakPolarHBondContact O-CA 3.33Å; S223-K226 VanDerWaalsContact O-CB 3.26Å; S223-K226 WeakPolarHBondContact O-CB 3.23Å; S223-K226 PolarHBondContact O-N 3.42Å; S223-D227 PolarHBondContact O-N 3.09Å
224	D	86.6	Confident	78.5	Confident	67 Å²	67	88.9 Å²	88.9	36%	0.358	44%	0.436	S	S	.	.	H	α-helix	trans	-62.7	-37.1	-176.9	-61.4	-5.3	0	0	0	111.3	K220 K226 D227 K228	K220-D224 PolarHBondContact O-N 3.03Å; D224-K226 VanDerWaalsContact C-N 3.3Å; D224-K226 PolarHBondContact O-N 3Å; D224-D227 PolarHBondContact O-N 3.39Å; D224-K228 WeakPolarHBondContact O-CG 3.28Å; D224-K228 PolarHBondContact O-N 3.24Å
225	N	80	Confident	76	Confident	89 Å²	89	87.6 Å²	87.6	48%	0.476	45%	0.445	S	S	.	.	H	α-helix	trans	-69.8	-25.3	174.4	-76.1	-24.9	0	0	0	113.6	M221 S223 K229	M221-N225 WeakPolarHBondContact O-CB 3.26Å; M221-N225 VanDerWaalsContact O-CG 3.25Å; M221-N225 PolarHBondContact O-N 2.81Å; M221-N225 PolarHBondContact O-ND2 2.85Å; M221-N225 VanDerWaalsContact O-ND2 3.12Å; S223-N225 VanDerWaalsContact C-N 3.27Å; S223-N225 PolarHBondContact O-N 3.28Å; N225-K229 PolarHBondContact O-N 3.15Å
226	K	76.9	Confident	73.3	Confident	93 Å²	93	94.8 Å²	94.8	40%	0.404	48%	0.483	S	S	.	.	H	α-helix	trans	-72.6	-45.5	173.6	-169.8	176.6	175.2	-70.7	0	110	L222 S223 D224 K228 K229 E230	L222-K226 PolarHBondContact O-N 3.25Å; S223-K226 WeakPolarHBondContact O-CA 3.33Å; S223-K226 VanDerWaalsContact O-CB 3.26Å; S223-K226 WeakPolarHBondContact O-CB 3.23Å; S223-K226 PolarHBondContact O-N 3.42Å; D224-K226 VanDerWaalsContact C-N 3.3Å; D224-K226 PolarHBondContact O-N 3Å; K226-K228 PolarHBondContact O-N 3.15Å; K226-K229 PolarHBondContact O-N 3.35Å; K226-E230 WeakPolarHBondContact CE-OE1 3.4Å; K226-E230 IonicContact NZ-OE1 3.96Å; K226-E230 PolarHBondContact NZ-OE1 3.44Å; K226-E230 IonicContact NZ-OE2 2.77Å; K226-E230 PolarHBondContact O-N 3.49Å
227	D	71.3	Confident	70.4	Confident	78 Å²	78	95.6 Å²	95.6	42%	0.417	50%	0.496	S	S	.	.	H	α-helix	trans	-63.5	-41.1	-179.8	-61.9	-15.7	0	0	0	111.4	S223 D224 K229 E230 Q231	S223-D227 PolarHBondContact O-N 3.09Å; D224-D227 PolarHBondContact O-N 3.39Å; D227-K229 PolarHBondContact O-N 3.38Å; D227-E230 PolarHBondContact O-N 3.38Å; D227-Q231 WeakPolarHBondContact O-CB 3.49Å; D227-Q231 VanDerWaalsContact O-CG 3.32Å; D227-Q231 WeakPolarHBondContact O-CG 3.49Å; D227-Q231 PolarHBondContact O-N 2.95Å
228	K	70.9	Confident	67.4	Low	125 Å²	125	96.7 Å²	96.7	54%	0.543	51%	0.512	S	S	.	.	H	α-helix	trans	-61.8	-40.6	174.8	-73.7	177.3	-178.8	-179.5	0	113.5	D224 K226 Q232	D224-K228 WeakPolarHBondContact O-CG 3.28Å; D224-K228 PolarHBondContact O-N 3.24Å; K226-K228 PolarHBondContact O-N 3.15Å; K228-Q232 WeakPolarHBondContact O-CG 3.44Å; K228-Q232 PolarHBondContact O-N 3.05Å
229	K	69.1	Low	64.2	Low	145 Å²	145	102 Å²	102	63%	0.63	55%	0.547	S	S	*	.	H	α-helix	trans	-69.6	-35.9	177.3	-81.2	-171.2	175.6	-171.5	0	112.3	N225 K226 D227 Q232 S233	N225-K229 PolarHBondContact O-N 3.15Å; K226-K229 PolarHBondContact O-N 3.35Å; D227-K229 PolarHBondContact O-N 3.38Å; K229-Q232 PolarHBondContact O-N 3.1Å; K229-S233 PolarHBondContact O-N 2.82Å; K229-S233 PolarHBondContact O-OG 3.13Å
230	E	62.6	Low	61.1	Low	89 Å²	89	104.7 Å²	104.7	42%	0.416	58%	0.576	S	S	.	*	H	α-helix	trans	-71.4	-34.8	176.8	-72.8	174.4	-174	0	0	111.8	K226 D227 S233 N234	K226-E230 WeakPolarHBondContact CE-OE1 3.4Å; K226-E230 IonicContact NZ-OE1 3.96Å; K226-E230 PolarHBondContact NZ-OE1 3.44Å; K226-E230 IonicContact NZ-OE2 2.77Å; K226-E230 PolarHBondContact O-N 3.49Å; D227-E230 PolarHBondContact O-N 3.38Å; E230-S233 WeakPolarHBondContact CA-OG 3.33Å; E230-S233 PolarHBondContact O-OG 3.01Å; E230-S233 VanDerWaalsContact O-OG 3.1Å; E230-N234 WeakPolarHBondContact O-CB 3.23Å; E230-N234 PolarHBondContact O-N 3.46Å
231	Q	53.5	Low	57.9	Low	143 Å²	143	107.4 Å²	107.4	67%	0.668	59%	0.591	S	S	*	*	H	α-helix	trans	-67.9	-37.3	171.7	-73.5	174.4	0.7	0	0	112.6	D227 G235	D227-Q231 WeakPolarHBondContact O-CB 3.49Å; D227-Q231 VanDerWaalsContact O-CG 3.32Å; D227-Q231 WeakPolarHBondContact O-CG 3.49Å; D227-Q231 PolarHBondContact O-N 2.95Å; Q231-G235 PolarHBondContact O-N 3.05Å
232	Q	54	Low	54.8	Low	142 Å²	142	109 Å²	109	66%	0.664	61%	0.606	S	S	*	*	H	α-helix	trans	-71.5	-37.6	174.6	-76.7	176.3	-16.8	0	0	112.7	K228 K229 N234 G235	K228-Q232 WeakPolarHBondContact O-CG 3.44Å; K228-Q232 PolarHBondContact O-N 3.05Å; K229-Q232 PolarHBondContact O-N 3.1Å; Q232-N234 VanDerWaalsContact C-N 3.3Å; Q232-N234 PolarHBondContact O-N 3.45Å; Q232-G235 PolarHBondContact O-N 3.5Å
233	S	45.4	Very low	51.7	Low	80 Å²	80	112.2 Å²	112.2	56%	0.559	63%	0.632	S	S	*	*	H	α-helix	trans	-71.7	-22.3	177	63.2	0	0	0	0	114	K229 E230	K229-S233 PolarHBondContact O-N 2.82Å; K229-S233 PolarHBondContact O-OG 3.13Å; E230-S233 WeakPolarHBondContact CA-OG 3.33Å; E230-S233 PolarHBondContact O-OG 3.01Å; E230-S233 VanDerWaalsContact O-OG 3.1Å
234	N	42.1	Very low	48.7	Very low	140 Å²	140	114.6 Å²	114.6	75%	0.749	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	-2.5	174.2	-77.9	-6.1	0	0	0	113.2	E230 Q232	E230-N234 WeakPolarHBondContact O-CB 3.23Å; E230-N234 PolarHBondContact O-N 3.46Å; Q232-N234 VanDerWaalsContact C-N 3.3Å; Q232-N234 PolarHBondContact O-N 3.45Å
235	G	43.8	Very low	45.8	Very low	52 Å²	52	120.2 Å²	120.2	54%	0.536	68%	0.678	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90	-16.1	177.4	0	0	0	0	0	114.9	Q231 Q232 V237	Q231-G235 PolarHBondContact O-N 3.05Å; Q232-G235 PolarHBondContact O-N 3.5Å; G235-V237 PolarHBondContact O-N 3.48Å
236	D	39.2	Very low	44.6	Very low	151 Å²	151	121 Å²	121	81%	0.807	69%	0.689	S	S	*	*			trans	-102.2	57.9	-179.6	-84.4	-25.8	0	0	0	112.3
237	V	35.3	Very low	42.1	Very low	127 Å²	127	126.6 Å²	126.6	77%	0.77	71%	0.713	S	S	*	*			trans	-125.9	87.5	156.9	-176.7	0	0	0	0	107.8	G235	G235-V237 PolarHBondContact O-N 3.48Å
238	C	31.4	Very low	39.8	Very low	117 Å²	117	131.2 Å²	131.2	79%	0.791	73%	0.732	S	S	*	*			trans	-132.8	99.1	163.8	-75.4	0	0	0	0	108.7
239	T	27.8	Very low	37.6	Very low	132 Å²	132	133.3 Å²	133.3	81%	0.81	74%	0.744	S	S	*	*			trans	37.8	104.3	143.5	52	0	0	0	0	118.4	E241	T239-E241 PolarHBondContact O-N 3.02Å
240	A	29.2	Very low	35.5	Very low	103 Å²	103	132 Å²	132	85%	0.851	74%	0.742	S	S	*	*			trans	-72.7	114.5	151.6	0	0	0	0	0	109.3
241	E	27.5	Very low	33.7	Very low	191 Å²	191	136 Å²	136	89%	0.893	76%	0.761	S	S	*	*			trans	-125.7	138.2	151.3	-79.4	-167.3	164.6	0	0	109.4	T239	T239-E241 PolarHBondContact O-N 3.02Å
242	V	26.9	Very low	32.3	Very low	134 Å²	134	137 Å²	137	81%	0.812	77%	0.765	S	S	*	*			trans	-84.5	139.6	-167.6	175.5	0	0	0	0	109.8
243	S	24.6	Very low	30.9	Very low	107 Å²	107	136 Å²	136	75%	0.748	77%	0.769	S	S	*	*				166.7	132.7	122.1	-72.6	0	0	0	0	115.3
244	A	25.5	Very low	29.9	Very low	102 Å²	102	136.6 Å²	136.6	84%	0.843	77%	0.773	S	S	*	*			trans	73.2	114.9	143.3	0	0	0	0	0	121.9
245	E	24.5	Very low	29.1	Very low	184 Å²	184	135.7 Å²	135.7	86%	0.86	77%	0.773	S	S	*	*			trans	-67.4	-173.1	160.2	-66.2	-175.6	159.7	0	0	113.2
246	P	54.5	Low	28.3	Very low	107 Å²	107	141.5 Å²	141.5	70%	0.695	79%	0.786	S	S	*	*			cis	-129.4	174.2	-45.8	29.3	-11.5	0	0	0	111.2
247	K	24.8	Very low	28	Very low	210 Å²	210	143 Å²	143	91%	0.913	79%	0.788	S	S	*	*			trans	-163.1	144.4	145.3	-109.6	168.4	-163.4	-166.2	0	114
248	E	24.4	Very low	27.5	Very low	175 Å²	175	142.5 Å²	142.5	82%	0.818	79%	0.79	S	S	*	*			trans	-72.6	174	-167.1	-66	167.6	133.2	0	0	115.7
249	E	23.4	Very low	27.6	Very low	168 Å²	168	144.8 Å²	144.8	79%	0.785	79%	0.794	S	S	*	*			trans	102.4	135.3	151.4	-57.8	-162.9	149.7	0	0	117.1
250	I	25.1	Very low	27.7	Very low	117 Å²	117	144.7 Å²	144.7	60%	0.6	80%	0.795	S	S	*	*			cis	-175.5	156.5	-18.8	-108.8	162.3	0	0	0	103.9
251	Q	25	Very low	27.6	Very low	175 Å²	175	146.1 Å²	146.1	82%	0.818	79%	0.793	S	S	*	*			trans	72.3	149	160.9	-81.2	157.6	25.6	0	0	119.7
252	H	24.1	Very low	27.5	Very low	162 Å²	162	142.8 Å²	142.8	75%	0.75	79%	0.79	S	S	*	*			cis	178.8	152.1	-28.9	-143.8	-70.3	0	0	0	105.4
253	V	24.3	Very low	28.1	Very low	123 Å²	123	142.5 Å²	142.5	75%	0.745	79%	0.791	S	S	*	*			trans	64.7	147.2	160.9	-118	0	0	0	0	117.2
254	S	25	Very low	28.8	Very low	92 Å²	92	143.6 Å²	143.6	64%	0.643	79%	0.788	S	S	*	*			cis	-165.3	149.2	8.8	-20.6	0	0	0	0	108.8
255	T	24.8	Very low	29.3	Very low	120 Å²	120	146.8 Å²	146.8	74%	0.736	79%	0.79	S	S	*	*			trans	35.4	123.9	138.2	52.7	0	0	0	0	123
256	E	26.4	Very low	30	Very low	175 Å²	175	145.6 Å²	145.6	82%	0.818	78%	0.784	S	S	*	*			trans	80.7	128.9	132.5	-69.9	-176.9	174.1	0	0	122.1
257	E	32.7	Very low	29.1	Very low	183 Å²	183	145.8 Å²	145.8	86%	0.855	79%	0.785	S	S	*	*			trans	62.7	102.8	155.3	-66.6	-171.9	156.1	0	0	120.3
258	S	24.8	Very low	30.2	Very low	115 Å²	115	142 Å²	142	80%	0.804	78%	0.782	S	S	*	*				-165.5	131.6	127	36.7	0	0	0	0	111.4
259	L	34.4	Very low	31.3	Very low	166 Å²	166	139.5 Å²	139.5	87%	0.869	78%	0.778	S	S	*	*			trans	-54.3	135.1	170.5	-72.7	136.6	0	0	0	111.3	T261	L259-T261 PolarHBondContact O-N 3.09Å
260	P	29.3	Very low	32.2	Very low	130 Å²	130	141.1 Å²	141.1	84%	0.844	78%	0.783	S	S	*	*			trans	-88.8	110.4	164.6	-6.4	25	0	0	0	110.7
261	T	27.1	Very low	33.3	Very low	132 Å²	132	140.6 Å²	140.6	81%	0.81	79%	0.785	S	S	*	*			trans	-48.6	138.9	165.9	-23.1	0	0	0	0	112.2	L259	L259-T261 PolarHBondContact O-N 3.09Å
262	C	26.7	Very low	34.7	Very low	121 Å²	121	139.4 Å²	139.4	82%	0.818	79%	0.79	S	S	*	*			trans	-57.7	139.4	171.3	-68.3	0	0	0	0	112.3
263	P	38.7	Very low	36.5	Very low	129 Å²	129	134.5 Å²	134.5	84%	0.838	78%	0.783	S	S	*	*			trans	-101.5	103	160.9	33.5	-21.4	0	0	0	109.2
264	D	40	Very low	37.8	Very low	130 Å²	130	134.5 Å²	134.5	70%	0.695	79%	0.785	S	S	*	*			trans	-138.5	91.4	163	-140.6	-2.5	0	0	0	108.9
265	I	36.4	Very low	38.8	Very low	169 Å²	169	135.4 Å²	135.4	87%	0.867	78%	0.782	S	S	*	*			trans	-124.9	91.6	162.3	-57.4	179.3	0	0	0	106.2
266	Q	38.3	Very low	40.3	Very low	159 Å²	159	133.1 Å²	133.1	74%	0.743	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-79.5	143.6	160.9	-67.8	-177.2	12.8	0	0	109.1
267	P	35	Very low	41.4	Very low	110 Å²	110	131.2 Å²	131.2	71%	0.714	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-65.5	145.9	-179.3	26	-32.4	0	0	0	111.3	V269	P267-V269 PolarHBondContact O-N 2.8Å
268	P	47.5	Very low	42.4	Very low	130 Å²	130	126.6 Å²	126.6	84%	0.844	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-73.4	116.3	-172.7	26.9	-27.8	0	0	0	110.2	K270	P268-K270 PolarHBondContact O-N 2.67Å
269	V	48.2	Very low	43.6	Very low	124 Å²	124	126.5 Å²	126.5	75%	0.752	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-68.6	117.3	170.8	180	0	0	0	0	108.2	P267 T271	P267-V269 PolarHBondContact O-N 2.8Å; V269-T271 HydrophobicContact CG1-CG2 4.4Å; V269-T271 PolarHBondContact O-N 2.75Å; V269-T271 VanDerWaalsContact O-N 3.15Å
270	K	43.3	Very low	44.5	Very low	201 Å²	201	122.9 Å²	122.9	87%	0.874	73%	0.732	S	S	*	*			trans	-69.2	105.1	169.5	-88.7	-176.7	175.3	178.6	0	109.3	P268	P268-K270 PolarHBondContact O-N 2.67Å
271	T	47.5	Very low	45.7	Very low	106 Å²	106	121.5 Å²	121.5	65%	0.65	72%	0.716	S	S	*	*			trans	-95.1	131.3	164.4	41.9	0	0	0	0	109.4	V269	V269-T271 HydrophobicContact CG1-CG2 4.4Å; V269-T271 PolarHBondContact O-N 2.75Å; V269-T271 VanDerWaalsContact O-N 3.15Å
272	V	53.7	Low	47	Very low	151 Å²	151	122 Å²	122	92%	0.915	71%	0.707	S	S	*	*			trans	-116	115.6	175.5	-176.9	0	0	0	0	108
273	G	61.8	Low	48.5	Very low	58 Å²	58	119.9 Å²	119.9	60%	0.598	69%	0.688	S	S	*	*	S	Bend	trans	152	162	-179.1	0	0	0	0	0	111.3	L275	G273-L275 PolarHBondContact O-N 2.8Å; G273-L275 VanDerWaalsContact O-N 3.14Å
274	P	51.3	Low	49.5	Very low	123 Å²	123	122 Å²	122	80%	0.799	68%	0.679	S	S	*	*			trans	-64.3	116	172.8	25.5	-30.5	0	0	0	109.2	T276	P274-T276 PolarHBondContact O-N 3.07Å
275	L	46.4	Very low	50.5	Low	112 Å²	112	121.3 Å²	121.3	59%	0.586	68%	0.682	S	S	*	*			trans	-69.8	110.3	173.1	-147.1	77.4	0	0	0	106.8	G273 V280	G273-L275 PolarHBondContact O-N 2.8Å; G273-L275 VanDerWaalsContact O-N 3.14Å; L275-V280 HydrophobicContact CB-CG2 4.42Å; L275-V280 HydrophobicContact CD1-CG2 4.42Å; L275-V280 HydrophobicContact CD2-CG2 3.17Å; L275-V280 HydrophobicContact CG-CG2 3.39Å
276	T	56	Low	51.3	Low	71 Å²	71	116.9 Å²	116.9	44%	0.436	67%	0.665	S	S	.	*			trans	-81	151.5	174.9	70.5	0	0	0	0	109.2	P274 A278 D279	P274-T276 PolarHBondContact O-N 3.07Å; T276-A278 PolarHBondContact O-N 2.95Å; T276-D279 WeakPolarHBondContact CB-OD2 3.39Å; T276-D279 PolarHBondContact N-OD2 3.34Å; T276-D279 VanDerWaalsContact N-OD2 3.09Å; T276-D279 WeakPolarHBondContact O-CB 3.46Å; T276-D279 PolarHBondContact O-N 3.13Å; T276-D279 VanDerWaalsContact OG1-CG 3.25Å; T276-D279 PolarHBondContact OG1-OD2 3.13Å
277	D	50.5	Low	52.6	Low	135 Å²	135	113.6 Å²	113.6	72%	0.722	65%	0.649	S	S	*	*	H	α-helix	trans	-55.4	-27.7	178.6	-67.7	-25.7	0	0	0	112.4	D279 V280 I281	D277-D279 VanDerWaalsContact C-N 3.31Å; D277-D279 PolarHBondContact O-N 2.75Å; D277-V280 PolarHBondContact O-N 3.25Å; D277-I281 PolarHBondContact O-N 3.38Å; D277-I281 VanDerWaalsContact O-N 3.11Å
278	A	54.5	Low	54.5	Low	87 Å²	87	110 Å²	110	72%	0.719	62%	0.623	S	S	*	*	H	α-helix	trans	-67.7	-24.4	174.4	0	0	0	0	0	114.1	T276	T276-A278 PolarHBondContact O-N 2.95Å
279	D	50	Low	55.9	Low	113 Å²	113	108.5 Å²	108.5	60%	0.604	60%	0.603	S	S	*	*	H	α-helix	trans	-84.8	-18.7	179.4	-60.2	-50	0	0	0	112.6	T276 D277	T276-D279 WeakPolarHBondContact CB-OD2 3.39Å; T276-D279 PolarHBondContact N-OD2 3.34Å; T276-D279 VanDerWaalsContact N-OD2 3.09Å; T276-D279 WeakPolarHBondContact O-CB 3.46Å; T276-D279 PolarHBondContact O-N 3.13Å; T276-D279 VanDerWaalsContact OG1-CG 3.25Å; T276-D279 PolarHBondContact OG1-OD2 3.13Å; D277-D279 VanDerWaalsContact C-N 3.31Å; D277-D279 PolarHBondContact O-N 2.75Å
280	V	51.7	Low	57.5	Low	89 Å²	89	110.6 Å²	110.6	54%	0.539	60%	0.602	S	S	.	*	H	α-helix	trans	-107	-35.6	-173.3	-168.4	0	0	0	0	112.4	L275 D277	L275-V280 HydrophobicContact CB-CG2 4.42Å; L275-V280 HydrophobicContact CD1-CG2 4.42Å; L275-V280 HydrophobicContact CD2-CG2 3.17Å; L275-V280 HydrophobicContact CG-CG2 3.39Å; D277-V280 PolarHBondContact O-N 3.25Å
281	I	54.3	Low	59.8	Low	102 Å²	102	102 Å²	102	52%	0.523	57%	0.566	S	S	.	*			trans	-106.8	82.2	-172.7	-49.8	177.5	0	0	0	109.1	D277 L283	D277-I281 PolarHBondContact O-N 3.38Å; D277-I281 VanDerWaalsContact O-N 3.11Å; I281-L283 PolarHBondContact O-N 2.59Å
282	K	55.3	Low	61.9	Low	142 Å²	142	101.9 Å²	101.9	62%	0.617	56%	0.562	S	S	*	*			trans	-62.5	124.3	156.8	-76.2	-178.2	177.8	176.7	0	106.9	R284 Y416	K282-R284 PolarHBondContact O-N 3.14Å; K282-Y416 PolarHBondContact NZ-OH 2.71Å
283	L	57.8	Low	63.8	Low	77 Å²	77	95.1 Å²	95.1	40%	0.403	52%	0.52	S	S	.	.			trans	-50.3	115.3	172.3	-72.6	172.6	0	0	0	107.9	I281 E287 D419	I281-L283 PolarHBondContact O-N 2.59Å; L283-E287 WeakPolarHBondContact CA-OE2 3.44Å; L283-E287 HydrophobicContact CB-CB 4.22Å; L283-E287 HydrophobicContact CD2-CB 3.61Å; L283-D419 HydrophobicContact CD1-CB 4.08Å
284	R	60.1	Low	65.3	Low	172 Å²	172	98.9 Å²	98.9	65%	0.649	52%	0.52	S	S	*	.			trans	-57.2	151.7	169.7	-63.8	177.7	-178.3	-167.8	1.3	107	K282 C286 E287 K288	K282-R284 PolarHBondContact O-N 3.14Å; R284-C286 WeakPolarHBondContact CB-SG 3.32Å; R284-C286 PolarHBondContact O-N 3.39Å; R284-E287 HydrophobicContact CB-CG 4.12Å; R284-E287 PolarHBondContact N-OE2 2.81Å; R284-E287 WeakPolarHBondContact O-CA 3.22Å; R284-E287 WeakPolarHBondContact O-CB 3.43Å; R284-E287 PolarHBondContact O-N 3.18Å; R284-K288 PolarHBondContact O-N 3.27Å
285	P	60.6	Low	67.3	Low	117 Å²	117	97.9 Å²	97.9	76%	0.76	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	-28.8	173.8	-29.5	35.7	0	0	0	113.8
286	C	54.4	Low	69.8	Low	76 Å²	76	95.7 Å²	95.7	51%	0.514	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-18.6	175.7	59.4	0	0	0	0	115.4	R284 K290	R284-C286 WeakPolarHBondContact CB-SG 3.32Å; R284-C286 PolarHBondContact O-N 3.39Å; C286-K290 WeakPolarHBondContact O-CE 3.47Å
287	E	65.3	Low	71.8	Confident	90 Å²	90	92.6 Å²	92.6	42%	0.421	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-11.5	-177.8	-60.9	170.7	149.7	0	0	112.5	L283 R284	L283-E287 WeakPolarHBondContact CA-OE2 3.44Å; L283-E287 HydrophobicContact CB-CB 4.22Å; L283-E287 HydrophobicContact CD2-CB 3.61Å; R284-E287 HydrophobicContact CB-CG 4.12Å; R284-E287 PolarHBondContact N-OE2 2.81Å; R284-E287 WeakPolarHBondContact O-CA 3.22Å; R284-E287 WeakPolarHBondContact O-CB 3.43Å; R284-E287 PolarHBondContact O-N 3.18Å
288	K	73.9	Confident	74.1	Confident	35 Å²	35	86.2 Å²	86.2	15%	0.152	44%	0.44	C	S	.	.	S	Bend	trans	-60.5	151.3	169.5	-67.3	-164	-179.7	-158.8	0	110.8	R284 K290 N415 L418	R284-K288 PolarHBondContact O-N 3.27Å; K288-K290 PolarHBondContact O-N 3.42Å; K288-N415 PolarHBondContact NZ-O 3.1Å; K288-L418 VanDerWaalsContact CE-O 3.3Å; K288-L418 WeakPolarHBondContact CE-O 3.49Å; K288-L418 PolarHBondContact NZ-O 3.36Å
289	K	77.4	Confident	76.2	Confident	98 Å²	98	82 Å²	82	43%	0.426	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-51.7	118.5	173.8	-174.8	175	-171.7	166.4	0	109.4	D378 D419 V420 P421	K289-D378 WeakPolarHBondContact CE-OD1 3.35Å; K289-D378 IonicContact NZ-OD1 3.81Å; K289-D378 PolarHBondContact NZ-OD1 3.34Å; K289-D419 PolarHBondContact N-O 3.12Å; K289-V420 HydrophobicContact CB-CG1 4.47Å; K289-V420 HydrophobicContact CD-CG1 4.36Å; K289-P421 VanDerWaalsContact O-CD 3.26Å; K289-P421 WeakPolarHBondContact O-CD 3.39Å
290	K	82.5	Confident	78.5	Confident	167 Å²	167	76.9 Å²	76.9	73%	0.726	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-87.8	130.1	175.2	-67	-176	-177	175.5	0	109.1	C286 K288	C286-K290 WeakPolarHBondContact O-CE 3.47Å; K288-K290 PolarHBondContact O-N 3.42Å
291	V	89.8	Confident	80.6	Confident	22 Å²	22	73.5 Å²	73.5	13%	0.133	36%	0.358	C	S	.	.			trans	-109.7	126.4	174.2	175.2	0	0	0	0	108.1	F293 L351 D378 P421	V291-F293 HydrophobicContact CB-CD2 4.34Å; V291-F293 HydrophobicContact CB-CE1 4.1Å; V291-F293 HydrophobicContact CB-CE2 3.74Å; V291-F293 HydrophobicContact CB-CZ 3.6Å; V291-F293 HydrophobicContact CG1-CD1 3.74Å; V291-F293 HydrophobicContact CG1-CD2 4.18Å; V291-F293 HydrophobicContact CG1-CE1 3.36Å; V291-F293 HydrophobicContact CG1-CE2 3.84Å; V291-F293 HydrophobicContact CG1-CG 4.14Å; V291-F293 HydrophobicContact CG1-CZ 3.41Å; V291-F293 VanDerWaalsContact CG1-CZ 3.41Å; V291-F293 HydrophobicContact CG2-CZ 4.39Å; V291-F293 WeakPolarHBondContact O-CD2 3.37Å; V291-F293 PolarHBondContact O-N 2.92Å; V291-L351 HydrophobicContact CB-CD1 4.45Å; V291-L351 HydrophobicContact CG1-CD1 3.56Å; V291-L351 HydrophobicContact CG1-CD2 3.55Å; V291-L351 HydrophobicContact CG1-CG 4.13Å; V291-L351 HydrophobicContact CG2-CD1 4.08Å; V291-D378 HydrophobicContact CG2-CB 4.42Å; V291-D378 WeakPolarHBondContact CG2-O 3.25Å; V291-P421 HydrophobicContact CB-CG 4.32Å; V291-P421 HydrophobicContact CG2-CG 3.81Å
292	D	92.5	Very high	82.5	Confident	103 Å²	103	69.7 Å²	69.7	55%	0.551	34%	0.339	S	S	*	.			trans	-83.2	105.7	171.5	179	20.1	0	0	0	110.1	K294	D292-K294 VanDerWaalsContact OD1-CB 3.27Å; D292-K294 WeakPolarHBondContact OD1-CB 3.41Å; D292-K294 PolarHBondContact OD1-N 2.88Å
293	F	93.6	Very high	84.1	Confident	9 Å²	9	65.6 Å²	65.6	4%	0.039	33%	0.326	C	S	.	.			trans	-90.2	-3.6	178.5	-63.2	-70.5	0	0	0	113.2	V291 I321 F379 T423 M451 P483 F485	V291-F293 HydrophobicContact CB-CD2 4.34Å; V291-F293 HydrophobicContact CB-CE1 4.1Å; V291-F293 HydrophobicContact CB-CE2 3.74Å; V291-F293 HydrophobicContact CB-CZ 3.6Å; V291-F293 HydrophobicContact CG1-CD1 3.74Å; V291-F293 HydrophobicContact CG1-CD2 4.18Å; V291-F293 HydrophobicContact CG1-CE1 3.36Å; V291-F293 HydrophobicContact CG1-CE2 3.84Å; V291-F293 HydrophobicContact CG1-CG 4.14Å; V291-F293 HydrophobicContact CG1-CZ 3.41Å; V291-F293 VanDerWaalsContact CG1-CZ 3.41Å; V291-F293 HydrophobicContact CG2-CZ 4.39Å; V291-F293 WeakPolarHBondContact O-CD2 3.37Å; V291-F293 PolarHBondContact O-N 2.92Å; F293-I321 HydrophobicContact CD1-CD1 3.86Å; F293-I321 HydrophobicContact CE1-CD1 4.44Å; F293-F379 HydrophobicContact CE1-CD1 4.43Å; F293-T423 HydrophobicContact CE1-CG2 4.43Å; F293-T423 HydrophobicContact CE2-CG2 4.44Å; F293-T423 HydrophobicContact CZ-CG2 3.83Å; F293-M451 HydrophobicContact CB-SD 4.09Å; F293-M451 HydrophobicContact CD1-CE 4.34Å; F293-M451 HydrophobicContact CD1-SD 3.47Å; F293-M451 WeakPolarHBondContact CD1-SD 3.31Å; F293-M451 HydrophobicContact CD2-CB 3.98Å; F293-M451 HydrophobicContact CD2-CG 4.49Å; F293-M451 HydrophobicContact CD2-SD 4.35Å; F293-M451 HydrophobicContact CE1-CE 4.22Å; F293-M451 HydrophobicContact CE1-SD 3.9Å; F293-M451 HydrophobicContact CE2-CB 3.99Å; F293-M451 HydrophobicContact CG-CB 4.31Å; F293-M451 HydrophobicContact CG-CG 4.35Å; F293-M451 HydrophobicContact CG-SD 3.73Å; F293-M451 HydrophobicContact CZ-CB 4.32Å; F293-M451 HydrophobicContact CZ-SD 4.5Å; F293-P483 HydrophobicContact CB-CB 4.31Å; F293-F485 HydrophobicContact CB-CE1 3.85Å; F293-F485 HydrophobicContact CB-CZ 4.25Å; F293-F485 VanDerWaalsContact O-CE1 3.25Å; F293-F485 WeakPolarHBondContact O-CE1 3.47Å; F293-F485 WeakPolarHBondContact O-CZ 3.12Å
294	K	93.5	Very high	85.6	Confident	137 Å²	137	62.5 Å²	62.5	60%	0.596	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	135	-172	-168.9	180	174.5	-178.4	0	112	D292 K296	D292-K294 VanDerWaalsContact OD1-CB 3.27Å; D292-K294 WeakPolarHBondContact OD1-CB 3.41Å; D292-K294 PolarHBondContact OD1-N 2.88Å; K294-K296 WeakPolarHBondContact O-CG 3.36Å; K294-K296 PolarHBondContact O-N 2.98Å; K294-K296 VanDerWaalsContact O-N 3.09Å
295	D	94.1	Very high	87.2	Confident	102 Å²	102	54.4 Å²	54.4	55%	0.545	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	25.2	175.6	-63	-49.2	0	0	0	114.4	S505	D295-S505 PolarHBondContact N-O 3.47Å
296	K	97.1	Very high	88.9	Confident	66 Å²	66	48.9 Å²	48.9	29%	0.287	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	146.9	-179.6	-55.4	-55.5	-179.2	-175.4	0	112.8	K294 D320 I321 F485 I507	K294-K296 WeakPolarHBondContact O-CG 3.36Å; K294-K296 PolarHBondContact O-N 2.98Å; K294-K296 VanDerWaalsContact O-N 3.09Å; K296-D320 HydrophobicContact CB-CB 3.98Å; K296-D320 HydrophobicContact CD-CB 3.98Å; K296-D320 HydrophobicContact CG-CB 4.42Å; K296-I321 HydrophobicContact CB-CD1 3.76Å; K296-I321 HydrophobicContact CB-CG1 3.79Å; K296-I321 HydrophobicContact CG-CD1 4.18Å; K296-I321 HydrophobicContact CG-CG1 4.34Å; K296-F485 HydrophobicContact CB-CZ 4.19Å; K296-F485 WeakPolarHBondContact O-CE2 3.06Å; K296-I507 PolarHBondContact O-N 3.35Å
297	L	98.5	Very high	90.9	Very high	6 Å²	6	45.5 Å²	45.5	3%	0.031	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	116.9	168.6	-54.8	-179.5	0	0	0	110.4	D320 I321 F520 I523 K524	L297-D320 PolarHBondContact N-OD2 3.49Å; L297-D320 PolarHBondContact O-N 3.32Å; L297-I321 PolarHBondContact O-N 3.27Å; L297-I321 VanDerWaalsContact O-N 3.08Å; L297-F520 HydrophobicContact CB-CD1 3.72Å; L297-F520 HydrophobicContact CB-CE1 4.06Å; L297-F520 HydrophobicContact CD1-CB 4.4Å; L297-F520 HydrophobicContact CD1-CD1 4.01Å; L297-I523 HydrophobicContact CD1-CB 3.93Å; L297-I523 HydrophobicContact CD1-CD1 4.46Å; L297-I523 HydrophobicContact CD1-CG2 3.78Å; L297-I523 HydrophobicContact CD2-CG2 3.79Å; L297-I523 HydrophobicContact CG-CG2 4.42Å; L297-K524 HydrophobicContact CD1-CG 4.07Å
298	Y	98.6	Very high	92.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	115.5	-174.8	-175.5	-177.7	0	0	0	111	A300 I321 C323 F379 M451 F485 I507 M508 I509	Y298-A300 PolarHBondContact O-N 3.47Å; Y298-I321 HydrophobicContact CD1-CG2 4.46Å; Y298-I321 HydrophobicContact CD2-CB 3.61Å; Y298-I321 HydrophobicContact CD2-CG2 3.65Å; Y298-I321 HydrophobicContact CE2-CB 4.31Å; Y298-I321 HydrophobicContact CE2-CG2 3.83Å; Y298-I321 HydrophobicContact CG-CB 3.82Å; Y298-I321 HydrophobicContact CG-CD1 4.42Å; Y298-I321 HydrophobicContact CG-CG1 4.46Å; Y298-I321 HydrophobicContact CG-CG2 4.03Å; Y298-C323 HydrophobicContact CE2-CB 3.52Å; Y298-C323 WeakPolarHBondContact OH-CB 3.4Å; Y298-C323 PolarHBondContact OH-SG 2.94Å; Y298-F379 HydrophobicContact CE1-CZ 4.37Å; Y298-F379 HydrophobicContact CE2-CZ 4.33Å; Y298-F379 AromaticContact CZ-CZ 3.84Å; Y298-F379 WeakPolarHBondContact OH-CE2 3.5Å; Y298-M451 HydrophobicContact CD1-CE 4.19Å; Y298-M451 HydrophobicContact CE1-CE 3.85Å; Y298-F485 HydrophobicContact CD1-CD2 4.07Å; Y298-F485 HydrophobicContact CD1-CE2 4.28Å; Y298-F485 HydrophobicContact CG-CE2 4.48Å; Y298-I507 PolarHBondContact N-O 3.35Å; Y298-M508 HydrophobicContact CD1-CB 4.48Å; Y298-M508 HydrophobicContact CD1-CE 3.34Å; Y298-M508 HydrophobicContact CD1-CG 4.4Å; Y298-M508 HydrophobicContact CD2-CE 4.37Å; Y298-M508 HydrophobicContact CE1-CE 3.13Å; Y298-M508 HydrophobicContact CE2-CE 4.19Å; Y298-M508 HydrophobicContact CG-CE 3.96Å; Y298-M508 HydrophobicContact CG-CG 4.28Å; Y298-M508 CarbonylContact O-C 3.53Å; Y298-M508 WeakPolarHBondContact O-CA 3.16Å; Y298-M508 WeakPolarHBondContact O-CG 3.44Å; Y298-I509 PolarHBondContact O-N 2.66Å
299	L	98.7	Very high	93.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	118.3	167.3	178.3	63.9	0	0	0	110.3	L302 F310 R311 C314 A319 I321 A513 F520	L299-L302 HydrophobicContact CD1-CD1 4.12Å; L299-F310 HydrophobicContact CD1-CE1 4.16Å; L299-F310 HydrophobicContact CD2-CD1 4.48Å; L299-F310 HydrophobicContact CD2-CE1 4.41Å; L299-R311 HydrophobicContact CD2-CB 4.16Å; L299-R311 HydrophobicContact CD2-CG 3.79Å; L299-C314 HydrophobicContact CD2-CB 3.77Å; L299-A319 HydrophobicContact CB-CB 4.49Å; L299-I321 PolarHBondContact N-O 2.95Å; L299-A513 HydrophobicContact CD1-CB 3.69Å; L299-F520 HydrophobicContact CB-CZ 3.9Å; L299-F520 HydrophobicContact CD1-CE2 4.26Å; L299-F520 HydrophobicContact CD1-CZ 3.93Å; L299-F520 HydrophobicContact CG-CZ 4.49Å
300	A	97.9	Very high	94.6	Very high	4 Å²	4	35.2 Å²	35.2	3%	0.033	18%	0.175	C	C	.	.			trans	-59.4	149.9	-179.9	0	0	0	0	0	112.4	Y298 L302 M508 I509 A510	Y298-A300 PolarHBondContact O-N 3.47Å; A300-L302 HydrophobicContact CB-CD2 4.4Å; A300-L302 HydrophobicContact CB-CG 4.32Å; A300-L302 WeakPolarHBondContact O-CG 3.34Å; A300-L302 PolarHBondContact O-N 2.86Å; A300-M508 HydrophobicContact CB-CG 3.65Å; A300-M508 HydrophobicContact CB-SD 3.56Å; A300-M508 VanDerWaalsContact CB-SD 3.56Å; A300-I509 WeakPolarHBondContact CB-O 3.44Å; A300-I509 PolarHBondContact N-O 2.9Å; A300-A510 HydrophobicContact CB-CB 3.71Å
301	P	96.5	Very high	95.4	Very high	18 Å²	18	27.4 Å²	27.4	12%	0.117	14%	0.141	C	C	.	.			trans	-68.5	112.7	166.3	25.7	-29.9	0	0	0	109.5	G324 Q355 K425	P301-G324 VanDerWaalsContact CB-O 3.25Å; P301-G324 WeakPolarHBondContact CB-O 3.4Å; P301-Q355 HydrophobicContact CB-CB 4.13Å; P301-Q355 HydrophobicContact CG-CB 4.31Å; P301-Q355 HydrophobicContact CG-CG 4.43Å; P301-K425 HydrophobicContact CG-CD 4.35Å
302	L	94.5	Very high	95.8	Very high	23 Å²	23	27.5 Å²	27.5	12%	0.12	14%	0.139	C	C	.	.			trans	-116.2	99.3	-171.3	-68.2	162.7	0	0	0	110.1	L299 A300 T304 C305 G306 F310 A510 L514	L299-L302 HydrophobicContact CD1-CD1 4.12Å; A300-L302 HydrophobicContact CB-CD2 4.4Å; A300-L302 HydrophobicContact CB-CG 4.32Å; A300-L302 WeakPolarHBondContact O-CG 3.34Å; A300-L302 PolarHBondContact O-N 2.86Å; L302-T304 PolarHBondContact O-N 3.24Å; L302-C305 PolarHBondContact O-N 3.29Å; L302-G306 VanDerWaalsContact O-CA 3.28Å; L302-G306 WeakPolarHBondContact O-CA 3.39Å; L302-G306 PolarHBondContact O-N 2.71Å; L302-F310 HydrophobicContact CD1-CE1 4.15Å; L302-A510 HydrophobicContact CD2-CB 3.96Å; L302-L514 HydrophobicContact CD1-CD1 4.04Å; L302-L514 HydrophobicContact CD1-CD2 4.04Å; L302-L514 HydrophobicContact CD1-CG 3.81Å; L302-L514 HydrophobicContact CD2-CD1 4.05Å
303	T	89.6	Confident	96.1	Very high	56 Å²	56	22.6 Å²	22.6	34%	0.344	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	136.1	178.1	-50.6	0	0	0	0	111.6	C305 E325	T303-C305 VanDerWaalsContact C-N 3.27Å; T303-C305 PolarHBondContact O-N 3.44Å; T303-E325 WeakPolarHBondContact CA-OE1 3.3Å
304	T	88.6	Confident	96.3	Very high	11 Å²	11	22.2 Å²	22.2	7%	0.067	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	-50	-173.5	-33.6	0	0	0	0	114.4	L302 N307 E325 F564 E567 K633 H634	L302-T304 PolarHBondContact O-N 3.24Å; T304-N307 PolarHBondContact O-ND2 3.2Å; T304-E325 WeakPolarHBondContact CA-OE1 3.41Å; T304-E325 PolarHBondContact N-OE1 3Å; T304-F564 HydrophobicContact CG2-CD1 4.5Å; T304-F564 HydrophobicContact CG2-CE1 4.3Å; T304-F564 WeakPolarHBondContact O-CD1 3.39Å; T304-F564 VanDerWaalsContact O-CE1 3.26Å; T304-F564 WeakPolarHBondContact O-CE1 3.42Å; T304-E567 HydrophobicContact CG2-CB 4.27Å; T304-E567 HydrophobicContact CG2-CG 3.94Å; T304-K633 HydrophobicContact CG2-CD 4.01Å; T304-K633 WeakPolarHBondContact OG1-CD 3.39Å; T304-K633 WeakPolarHBondContact OG1-CE 3.38Å; T304-K633 PolarHBondContact OG1-NZ 3.19Å; T304-H634 PolarHBondContact OG1-NE2 3.18Å
305	C	93.8	Very high	96.6	Very high	3 Å²	3	17 Å²	17	2%	0.02	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-22	-170.5	-56.2	0	0	0	0	114	L302 T303 N307 F310 L514	L302-C305 PolarHBondContact O-N 3.29Å; T303-C305 VanDerWaalsContact C-N 3.27Å; T303-C305 PolarHBondContact O-N 3.44Å; C305-N307 PolarHBondContact O-N 2.91Å; C305-N307 PolarHBondContact O-ND2 2.89Å; C305-F310 WeakPolarHBondContact O-CB 3.38Å; C305-F310 WeakPolarHBondContact O-CD1 3.39Å; C305-F310 VanDerWaalsContact O-CG 3.31Å; C305-F310 WeakPolarHBondContact O-CG 3.44Å; C305-L514 HydrophobicContact CB-CD1 4.36Å; C305-L514 HydrophobicContact CB-CD2 3.38Å
306	G	95.1	Very high	96.8	Very high	1 Å²	1	19 Å²	19	1%	0.01	9%	0.089	C	C	.	.			trans	-78.7	28.2	180	0	0	0	0	0	114.6	L302 R311	L302-G306 VanDerWaalsContact O-CA 3.28Å; L302-G306 WeakPolarHBondContact O-CA 3.39Å; L302-G306 PolarHBondContact O-N 2.71Å; G306-R311 PolarHBondContact O-NH1 2.83Å
307	N	97.1	Very high	96.8	Very high	5 Å²	5	17.5 Å²	17.5	3%	0.027	8%	0.082	C	C	.	.	S	Bend	trans	-68.5	164.2	178.2	57	67.4	0	0	0	111.3	T304 C305 P309 F310 R311 F543 W551	T304-N307 PolarHBondContact O-ND2 3.2Å; C305-N307 PolarHBondContact O-N 2.91Å; C305-N307 PolarHBondContact O-ND2 2.89Å; N307-P309 VanDerWaalsContact OD1-CD 3.29Å; N307-P309 WeakPolarHBondContact OD1-CD 3.45Å; N307-F310 PolarHBondContact O-N 2.84Å; N307-F310 VanDerWaalsContact O-N 3.07Å; N307-F310 PolarHBondContact OD1-N 2.96Å; N307-R311 WeakPolarHBondContact O-CG 3.24Å; N307-R311 PolarHBondContact O-N 3.47Å; N307-F543 WeakPolarHBondContact OD1-CE2 3.39Å; N307-W551 HydrophobicContact CB-CH2 4.19Å; N307-W551 HydrophobicContact CB-CZ2 3.94Å
308	L	97.9	Very high	96.8	Very high	6 Å²	6	18 Å²	18	3%	0.031	9%	0.089	C	C	.	.	H	α-helix	trans	-53.5	-46.6	-174.3	-179.9	68.8	0	0	0	113.6	V193 F310 R311 R312 K344 H346 E349 H550	V193-L308 HydrophobicContact CG1-CD2 3.99Å; V193-L308 HydrophobicContact CG2-CD2 4.07Å; L308-F310 PolarHBondContact O-N 3.4Å; L308-R311 PolarHBondContact O-N 3.5Å; L308-R312 WeakPolarHBondContact O-CG 3.24Å; L308-R312 PolarHBondContact O-N 2.85Å; L308-K344 HydrophobicContact CD2-CB 4.34Å; L308-H346 HydrophobicContact CD1-CB 3.71Å; L308-H346 HydrophobicContact CD2-CB 4.25Å; L308-H346 HydrophobicContact CG-CB 4.29Å; L308-E349 WeakPolarHBondContact CD1-OE2 3.41Å; L308-H550 WeakPolarHBondContact CD2-ND1 3.36Å
309	P	98.4	Very high	96.8	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-52.7	-47.5	173.4	-31.1	37.2	0	0	0	114.2	N307 R311 R312 V313 F543 F546 H550 W551	N307-P309 VanDerWaalsContact OD1-CD 3.29Å; N307-P309 WeakPolarHBondContact OD1-CD 3.45Å; P309-R311 PolarHBondContact O-N 2.97Å; P309-R312 PolarHBondContact O-N 3.42Å; P309-V313 PolarHBondContact O-N 3.17Å; P309-V313 VanDerWaalsContact O-N 3.13Å; P309-F543 HydrophobicContact CB-CD2 3.88Å; P309-F543 HydrophobicContact CB-CE2 3.76Å; P309-F543 HydrophobicContact CB-CZ 4.37Å; P309-F546 HydrophobicContact CB-CB 3.82Å; P309-F546 HydrophobicContact CG-CB 4.36Å; P309-H550 HydrophobicContact CG-CB 3.97Å; P309-W551 HydrophobicContact CG-CE3 4.46Å; P309-W551 HydrophobicContact CG-CH2 3.83Å; P309-W551 HydrophobicContact CG-CZ2 4.37Å; P309-W551 HydrophobicContact CG-CZ3 3.87Å
310	F	98.7	Very high	96.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-65.3	-38.6	179.3	-177.7	-106.3	0	0	0	112.6	L299 L302 C305 N307 L308 R312 V313 C314 A513 L514 P517 F543 W568	L299-F310 HydrophobicContact CD1-CE1 4.16Å; L299-F310 HydrophobicContact CD2-CD1 4.48Å; L299-F310 HydrophobicContact CD2-CE1 4.41Å; L302-F310 HydrophobicContact CD1-CE1 4.15Å; C305-F310 WeakPolarHBondContact O-CB 3.38Å; C305-F310 WeakPolarHBondContact O-CD1 3.39Å; C305-F310 VanDerWaalsContact O-CG 3.31Å; C305-F310 WeakPolarHBondContact O-CG 3.44Å; N307-F310 PolarHBondContact O-N 2.84Å; N307-F310 VanDerWaalsContact O-N 3.07Å; N307-F310 PolarHBondContact OD1-N 2.96Å; L308-F310 PolarHBondContact O-N 3.4Å; F310-R312 VanDerWaalsContact C-N 3.32Å; F310-R312 PolarHBondContact O-N 3.08Å; F310-V313 WeakPolarHBondContact O-CB 3.47Å; F310-V313 PolarHBondContact O-N 2.85Å; F310-C314 VanDerWaalsContact CE1-SG 3.55Å; F310-C314 VanDerWaalsContact CZ-SG 3.56Å; F310-C314 PolarHBondContact O-N 3.02Å; F310-C314 PolarHBondContact O-SG 2.77Å; F310-C314 VanDerWaalsContact O-SG 3.36Å; F310-A513 HydrophobicContact CZ-CB 4.47Å; F310-A513 WeakPolarHBondContact CZ-O 3.36Å; F310-L514 HydrophobicContact CD1-CD2 4.37Å; F310-L514 HydrophobicContact CE1-CD2 3.73Å; F310-L514 HydrophobicContact CE1-CG 4.5Å; F310-L514 HydrophobicContact CE2-CD2 4.13Å; F310-L514 HydrophobicContact CZ-CD2 3.61Å; F310-L514 HydrophobicContact CZ-CG 4.31Å; F310-P517 HydrophobicContact CE2-CG 4.12Å; F310-F543 HydrophobicContact CB-CD2 4.22Å; F310-F543 HydrophobicContact CB-CE2 3.93Å; F310-W568 AromaticContact CD2-CD2 3.86Å; F310-W568 HydrophobicContact CD2-CD2 3.86Å; F310-W568 AromaticContact CD2-CE2 3.78Å; F310-W568 HydrophobicContact CD2-CE3 4.21Å; F310-W568 HydrophobicContact CD2-CG 4.34Å; F310-W568 HydrophobicContact CD2-CH2 4.34Å; F310-W568 HydrophobicContact CD2-CZ2 4.07Å; F310-W568 HydrophobicContact CD2-CZ3 4.43Å; F310-W568 AromaticContact CE2-CD2 3.95Å; F310-W568 HydrophobicContact CE2-CD2 3.95Å; F310-W568 AromaticContact CE2-CE2 3.39Å; F310-W568 HydrophobicContact CE2-CG 4.37Å; F310-W568 HydrophobicContact CE2-CH2 4.29Å; F310-W568 AromaticContact CE2-CZ2 3.63Å; F310-W568 HydrophobicContact CE2-CZ2 3.63Å; F310-W568 AromaticContact CE2-NE1 3.48Å
311	R	98.7	Very high	96.8	Very high	4 Å²	4	19.5 Å²	19.5	2%	0.015	10%	0.096	C	C	.	.	H	α-helix	trans	-64.9	-37.5	176.7	-58.8	-163.8	-48.5	-93.8	1.3	111.7	L299 G306 N307 L308 P309 C314 K315 T322 C323 K344 E349 F352	L299-R311 HydrophobicContact CD2-CB 4.16Å; L299-R311 HydrophobicContact CD2-CG 3.79Å; G306-R311 PolarHBondContact O-NH1 2.83Å; N307-R311 WeakPolarHBondContact O-CG 3.24Å; N307-R311 PolarHBondContact O-N 3.47Å; L308-R311 PolarHBondContact O-N 3.5Å; P309-R311 PolarHBondContact O-N 2.97Å; R311-C314 PolarHBondContact O-N 2.97Å; R311-K315 WeakPolarHBondContact O-CG 3.12Å; R311-K315 PolarHBondContact O-N 3.37Å; R311-T322 HydrophobicContact CB-CG2 4.18Å; R311-C323 WeakPolarHBondContact CD-O 3.38Å; R311-K344 PolarHBondContact NH2-O 3.11Å; R311-E349 IonicContact CZ-OE1 3.26Å; R311-E349 IonicContact NE-OE1 3.8Å; R311-E349 PolarHBondContact NE-OE1 2.81Å; R311-E349 IonicContact NH2-OE1 3.22Å; R311-E349 PolarHBondContact NH2-OE1 2.9Å; R311-E349 VanDerWaalsContact NH2-OE1 3.11Å; R311-E349 IonicContact NH2-OE2 2.79Å; R311-E349 PolarHBondContact NH2-OE2 3.21Å; R311-F352 VanDerWaalsContact NH2-CE2 3.31Å
312	R	98.3	Very high	96.9	Very high	23 Å²	23	18.7 Å²	18.7	9%	0.087	9%	0.091	C	C	.	.	H	α-helix	trans	-62.4	-41.5	173.5	-70.3	176	70.9	-171.4	5.5	112.2	L308 P309 F310 C314 K315 R316 H346 F546 E549	L308-R312 WeakPolarHBondContact O-CG 3.24Å; L308-R312 PolarHBondContact O-N 2.85Å; P309-R312 PolarHBondContact O-N 3.42Å; F310-R312 VanDerWaalsContact C-N 3.32Å; F310-R312 PolarHBondContact O-N 3.08Å; R312-C314 VanDerWaalsContact C-N 3.34Å; R312-C314 PolarHBondContact O-N 2.83Å; R312-K315 PolarHBondContact O-N 3.34Å; R312-R316 PolarHBondContact O-N 3.42Å; R312-R316 VanDerWaalsContact O-N 3.13Å; R312-H346 HydrophobicContact CG-CB 4.16Å; R312-H346 PolarHBondContact NE-ND1 2.91Å; R312-H346 PolarHBondContact NH2-NE2 2.98Å; R312-F546 HydrophobicContact CB-CD2 3.64Å; R312-F546 HydrophobicContact CB-CE2 3.77Å; R312-F546 HydrophobicContact CB-CG 4.32Å; R312-E549 IonicContact CZ-OE2 3.05Å; R312-E549 VanDerWaalsContact NH1-CD 3.26Å; R312-E549 IonicContact NH1-OE1 2.79Å; R312-E549 PolarHBondContact NH1-OE1 2.98Å; R312-E549 IonicContact NH1-OE2 3.41Å; R312-E549 PolarHBondContact NH1-OE2 2.77Å; R312-E549 IonicContact NH2-OE2 3.51Å; R312-E549 PolarHBondContact NH2-OE2 2.83Å
313	V	98.7	Very high	97.1	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.006	9%	0.085	C	C	.	.	H	α-helix	trans	-58	-48.2	171.7	174.1	0	0	0	0	110.4	P309 F310 K315 R316 F317 P517 I539 D542 F543 F546 W568	P309-V313 PolarHBondContact O-N 3.17Å; P309-V313 VanDerWaalsContact O-N 3.13Å; F310-V313 WeakPolarHBondContact O-CB 3.47Å; F310-V313 PolarHBondContact O-N 2.85Å; V313-K315 PolarHBondContact O-N 3.24Å; V313-R316 WeakPolarHBondContact O-CB 3.49Å; V313-R316 PolarHBondContact O-N 3.02Å; V313-F317 HydrophobicContact CG1-CD2 4.13Å; V313-F317 HydrophobicContact CG1-CE2 3.99Å; V313-F317 VanDerWaalsContact O-CD2 3.27Å; V313-F317 WeakPolarHBondContact O-CD2 3.48Å; V313-F317 PolarHBondContact O-N 3.47Å; V313-P517 HydrophobicContact CG1-CB 3.96Å; V313-P517 HydrophobicContact CG1-CG 4.1Å; V313-I539 HydrophobicContact CG1-CG2 3.85Å; V313-D542 HydrophobicContact CG2-CB 4.44Å; V313-F543 HydrophobicContact CG2-CB 4.05Å; V313-F546 HydrophobicContact CG2-CD2 4.02Å; V313-F546 HydrophobicContact CG2-CE2 4.03Å; V313-W568 HydrophobicContact CG1-CH2 4.3Å
314	C	98.7	Very high	97.4	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-64.5	-36.1	178.5	-64.8	0	0	0	0	113.3	L299 F310 R311 R312 R316 F317 G318 A319 F520	L299-C314 HydrophobicContact CD2-CB 3.77Å; F310-C314 VanDerWaalsContact CE1-SG 3.55Å; F310-C314 VanDerWaalsContact CZ-SG 3.56Å; F310-C314 PolarHBondContact O-N 3.02Å; F310-C314 PolarHBondContact O-SG 2.77Å; F310-C314 VanDerWaalsContact O-SG 3.36Å; R311-C314 PolarHBondContact O-N 2.97Å; R312-C314 VanDerWaalsContact C-N 3.34Å; R312-C314 PolarHBondContact O-N 2.83Å; C314-R316 VanDerWaalsContact C-N 3.32Å; C314-R316 PolarHBondContact O-N 3.3Å; C314-F317 CarbonylContact O-C 3.46Å; C314-F317 PolarHBondContact O-N 3.1Å; C314-F317 VanDerWaalsContact O-N 3.17Å; C314-G318 PolarHBondContact O-N 3.15Å; C314-A319 HydrophobicContact CB-CB 4.05Å; C314-A319 WeakPolarHBondContact O-CB 3.45Å; C314-A319 PolarHBondContact O-N 2.73Å; C314-F520 HydrophobicContact CB-CD2 4.26Å; C314-F520 HydrophobicContact CB-CE2 3.78Å
315	K	98.4	Very high	97.8	Very high	27 Å²	27	15.2 Å²	15.2	12%	0.117	7%	0.069	C	C	.	.	H	α-helix	trans	-59.7	-41.8	174	-78.3	-61.8	-57.5	174.3	0	111.4	R311 R312 V313 F317 G318 A319 D320 T322 S348 E349 D350	R311-K315 WeakPolarHBondContact O-CG 3.12Å; R311-K315 PolarHBondContact O-N 3.37Å; R312-K315 PolarHBondContact O-N 3.34Å; V313-K315 PolarHBondContact O-N 3.24Å; K315-F317 PolarHBondContact O-N 2.78Å; K315-G318 PolarHBondContact O-N 2.98Å; K315-A319 HydrophobicContact CD-CB 4.48Å; K315-A319 VanDerWaalsContact CD-O 3.28Å; K315-A319 WeakPolarHBondContact CD-O 3.29Å; K315-A319 WeakPolarHBondContact CE-O 3.42Å; K315-A319 PolarHBondContact NZ-O 3.11Å; K315-D320 PolarHBondContact NZ-O 2.96Å; K315-T322 HydrophobicContact CD-CG2 3.61Å; K315-T322 HydrophobicContact CG-CG2 3.81Å; K315-S348 WeakPolarHBondContact CE-O 3.17Å; K315-E349 HydrophobicContact CG-CG 4.22Å; K315-D350 WeakPolarHBondContact CE-OD2 3.21Å; K315-D350 IonicContact NZ-OD2 2.95Å; K315-D350 PolarHBondContact NZ-OD2 3.46Å
316	R	98	Very high	97.9	Very high	145 Å²	145	16.1 Å²	16.1	55%	0.547	7%	0.073	S	C	.	.	H	α-helix	trans	-60.3	-33.3	175.2	-76.9	179.1	55.6	-178.5	-15.8	113.4	R312 V313 C314 G318 D542	R312-R316 PolarHBondContact O-N 3.42Å; R312-R316 VanDerWaalsContact O-N 3.13Å; V313-R316 WeakPolarHBondContact O-CB 3.49Å; V313-R316 PolarHBondContact O-N 3.02Å; C314-R316 VanDerWaalsContact C-N 3.32Å; C314-R316 PolarHBondContact O-N 3.3Å; R316-G318 VanDerWaalsContact C-N 3.26Å; R316-G318 PolarHBondContact O-N 2.99Å; R316-D542 IonicContact CZ-OD1 3.14Å; R316-D542 IonicContact CZ-OD2 3.46Å; R316-D542 IonicContact NH1-OD1 3.65Å; R316-D542 PolarHBondContact NH1-OD1 3.24Å; R316-D542 IonicContact NH1-OD2 2.77Å; R316-D542 PolarHBondContact NH1-OD2 3.47Å; R316-D542 IonicContact NH2-OD1 3.79Å; R316-D542 IonicContact NH2-OD2 3.66Å; R316-D542 PolarHBondContact NH2-OD2 3.02Å
317	F	98.6	Very high	98	Very high	35 Å²	35	16.1 Å²	16.1	15%	0.154	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	4	175.3	-72.4	-66.4	0	0	0	114	V313 C314 K315 P517 W518 F520 T521 I539	V313-F317 HydrophobicContact CG1-CD2 4.13Å; V313-F317 HydrophobicContact CG1-CE2 3.99Å; V313-F317 VanDerWaalsContact O-CD2 3.27Å; V313-F317 WeakPolarHBondContact O-CD2 3.48Å; V313-F317 PolarHBondContact O-N 3.47Å; C314-F317 CarbonylContact O-C 3.46Å; C314-F317 PolarHBondContact O-N 3.1Å; C314-F317 VanDerWaalsContact O-N 3.17Å; K315-F317 PolarHBondContact O-N 2.78Å; F317-P517 WeakPolarHBondContact CB-O 3.29Å; F317-P517 HydrophobicContact CD2-CB 3.72Å; F317-P517 HydrophobicContact CE2-CB 4.15Å; F317-W518 HydrophobicContact CD1-CB 3.52Å; F317-W518 HydrophobicContact CE1-CB 3.73Å; F317-W518 HydrophobicContact CG-CB 4.05Å; F317-W518 HydrophobicContact CZ-CB 4.4Å; F317-F520 CarbonylContact O-C 3.58Å; F317-F520 WeakPolarHBondContact O-CB 3.49Å; F317-T521 WeakPolarHBondContact CA-OG1 3.4Å; F317-T521 WeakPolarHBondContact CD1-OG1 3.5Å; F317-T521 PolarHBondContact O-N 2.97Å; F317-T521 PolarHBondContact O-OG1 3.29Å; F317-I539 HydrophobicContact CE1-CD1 4.41Å; F317-I539 HydrophobicContact CE2-CD1 3.9Å; F317-I539 HydrophobicContact CE2-CG1 3.97Å; F317-I539 HydrophobicContact CE2-CG2 4.24Å; F317-I539 HydrophobicContact CZ-CD1 3.42Å; F317-I539 VanDerWaalsContact CZ-CD1 3.42Å; F317-I539 HydrophobicContact CZ-CG1 3.67Å
318	G	98	Very high	98	Very high	16 Å²	16	17.9 Å²	17.9	17%	0.165	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	94	25.6	173.7	0	0	0	0	0	114.8	C314 K315 R316 D320 K524	C314-G318 PolarHBondContact O-N 3.15Å; K315-G318 PolarHBondContact O-N 2.98Å; R316-G318 VanDerWaalsContact C-N 3.26Å; R316-G318 PolarHBondContact O-N 2.99Å; G318-D320 PolarHBondContact O-N 2.7Å; G318-K524 WeakPolarHBondContact O-CE 3.26Å; G318-K524 PolarHBondContact O-NZ 2.9Å
319	A	98.5	Very high	98	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.008	8%	0.081	C	C	.	.			trans	-59.1	129.6	161.9	0	0	0	0	0	109.8	L299 C314 K315 F520	L299-A319 HydrophobicContact CB-CB 4.49Å; C314-A319 HydrophobicContact CB-CB 4.05Å; C314-A319 WeakPolarHBondContact O-CB 3.45Å; C314-A319 PolarHBondContact O-N 2.73Å; K315-A319 HydrophobicContact CD-CB 4.48Å; K315-A319 VanDerWaalsContact CD-O 3.28Å; K315-A319 WeakPolarHBondContact CD-O 3.29Å; K315-A319 WeakPolarHBondContact CE-O 3.42Å; K315-A319 PolarHBondContact NZ-O 3.11Å; A319-F520 HydrophobicContact CB-CD1 3.99Å; A319-F520 HydrophobicContact CB-CD2 4.01Å; A319-F520 HydrophobicContact CB-CE1 3.89Å; A319-F520 HydrophobicContact CB-CE2 3.95Å; A319-F520 HydrophobicContact CB-CG 4.07Å; A319-F520 HydrophobicContact CB-CZ 3.89Å
320	D	98.5	Very high	97.9	Very high	35 Å²	35	20.7 Å²	20.7	19%	0.187	10%	0.099	C	C	.	.	S	Bend	trans	-86.1	-48.4	-179.5	-59	-56.7	0	0	0	110.3	K296 L297 K315 G318 K524	K296-D320 HydrophobicContact CB-CB 3.98Å; K296-D320 HydrophobicContact CD-CB 3.98Å; K296-D320 HydrophobicContact CG-CB 4.42Å; L297-D320 PolarHBondContact N-OD2 3.49Å; L297-D320 PolarHBondContact O-N 3.32Å; K315-D320 PolarHBondContact NZ-O 2.96Å; G318-D320 PolarHBondContact O-N 2.7Å; D320-K524 IonicContact OD1-NZ 3.96Å; D320-K524 PolarHBondContact OD1-NZ 3.15Å; D320-K524 IonicContact OD2-NZ 3.18Å
321	I	98.6	Very high	97.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	134.2	-179.6	-36.3	-165	0	0	0	109.7	F293 K296 L297 Y298 L299 L351 F379 F485	F293-I321 HydrophobicContact CD1-CD1 3.86Å; F293-I321 HydrophobicContact CE1-CD1 4.44Å; K296-I321 HydrophobicContact CB-CD1 3.76Å; K296-I321 HydrophobicContact CB-CG1 3.79Å; K296-I321 HydrophobicContact CG-CD1 4.18Å; K296-I321 HydrophobicContact CG-CG1 4.34Å; L297-I321 PolarHBondContact O-N 3.27Å; L297-I321 VanDerWaalsContact O-N 3.08Å; Y298-I321 HydrophobicContact CD1-CG2 4.46Å; Y298-I321 HydrophobicContact CD2-CB 3.61Å; Y298-I321 HydrophobicContact CD2-CG2 3.65Å; Y298-I321 HydrophobicContact CE2-CB 4.31Å; Y298-I321 HydrophobicContact CE2-CG2 3.83Å; Y298-I321 HydrophobicContact CG-CB 3.82Å; Y298-I321 HydrophobicContact CG-CD1 4.42Å; Y298-I321 HydrophobicContact CG-CG1 4.46Å; Y298-I321 HydrophobicContact CG-CG2 4.03Å; L299-I321 PolarHBondContact N-O 2.95Å; I321-L351 HydrophobicContact CB-CD2 4.26Å; I321-L351 HydrophobicContact CD1-CD2 3.71Å; I321-L351 HydrophobicContact CG1-CD2 3.74Å; I321-L351 HydrophobicContact CG2-CD2 3.93Å; I321-L351 HydrophobicContact CG2-CG 4.25Å; I321-F379 HydrophobicContact CG2-CE1 3.59Å; I321-F379 HydrophobicContact CG2-CZ 3.68Å; I321-F485 HydrophobicContact CD1-CE2 4.29Å; I321-F485 HydrophobicContact CD1-CZ 4.15Å
322	T	98.6	Very high	97.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	151.8	172	50.6	0	0	0	0	110.2	R311 K315 E349 L351 F352 G353	R311-T322 HydrophobicContact CB-CG2 4.18Å; K315-T322 HydrophobicContact CD-CG2 3.61Å; K315-T322 HydrophobicContact CG-CG2 3.81Å; T322-E349 WeakPolarHBondContact CB-OE1 3.49Å; T322-E349 HydrophobicContact CG2-CG 4.47Å; T322-E349 PolarHBondContact OG1-OE1 2.97Å; T322-L351 PolarHBondContact N-O 3.18Å; T322-L351 PolarHBondContact OG1-O 2.97Å; T322-F352 WeakPolarHBondContact O-CA 3.21Å; T322-G353 PolarHBondContact O-N 3.17Å
323	C	98.2	Very high	97.8	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	140.2	175	-176.2	0	0	0	0	110.4	Y298 R311 G353 Q355	Y298-C323 HydrophobicContact CE2-CB 3.52Å; Y298-C323 WeakPolarHBondContact OH-CB 3.4Å; Y298-C323 PolarHBondContact OH-SG 2.94Å; R311-C323 WeakPolarHBondContact CD-O 3.38Å; C323-G353 VanDerWaalsContact CA-O 3.24Å; C323-G353 WeakPolarHBondContact CA-O 3.32Å; C323-G353 PolarHBondContact SG-O 3.07Å; C323-G353 VanDerWaalsContact SG-O 3.35Å; C323-Q355 PolarHBondContact SG-N 2.82Å; C323-Q355 VanDerWaalsContact SG-N 3.44Å
324	G	96.8	Very high	97.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.133	C	C	.	.			trans	-56.3	159.7	173.4	0	0	0	0	0	112.2	P301 L342 G353	P301-G324 VanDerWaalsContact CB-O 3.25Å; P301-G324 WeakPolarHBondContact CB-O 3.4Å; G324-L342 WeakPolarHBondContact CA-O 3.48Å; G324-G353 PolarHBondContact N-O 3.26Å
325	E	96.3	Very high	97.6	Very high	18 Å²	18	27.1 Å²	27.1	8%	0.084	13%	0.133	C	C	.	.			trans	-61.1	157.8	170.9	-54.4	177.1	53.4	0	0	110.7	T303 T304 A327 L342	T303-E325 WeakPolarHBondContact CA-OE1 3.3Å; T304-E325 WeakPolarHBondContact CA-OE1 3.41Å; T304-E325 PolarHBondContact N-OE1 3Å; E325-A327 PolarHBondContact O-N 3.47Å; E325-A327 VanDerWaalsContact O-N 3.08Å; E325-L342 HydrophobicContact CB-CB 4.5Å; E325-L342 HydrophobicContact CB-CD1 4.29Å; E325-L342 HydrophobicContact CB-CD2 4.09Å; E325-L342 HydrophobicContact CG-CD2 4.38Å
326	M	95.3	Very high	97.5	Very high	21 Å²	21	29.4 Å²	29.4	10%	0.103	14%	0.144	C	C	.	.			trans	-55.8	115	177.4	-176.5	-164.6	78.5	0	0	111.4	M328 E357 N383 C386	M326-M328 HydrophobicContact CE-SD 4.03Å; M326-E357 HydrophobicContact CE-CB 4.43Å; M326-E357 HydrophobicContact CE-CG 4.34Å; M326-E357 HydrophobicContact CG-CB 3.64Å; M326-E357 HydrophobicContact CG-CG 4.37Å; M326-E357 HydrophobicContact SD-CB 3.87Å; M326-E357 HydrophobicContact SD-CG 3.92Å; M326-N383 HydrophobicContact CG-CB 4.19Å; M326-N383 HydrophobicContact SD-CB 4.47Å; M326-C386 HydrophobicContact SD-CB 4Å
327	A	97.1	Very high	97.3	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.008	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	129.8	179	0	0	0	0	0	112.1	E325 C329 L332 E339 L342 L343 Q355 V356 E357	E325-A327 PolarHBondContact O-N 3.47Å; E325-A327 VanDerWaalsContact O-N 3.08Å; A327-C329 PolarHBondContact O-N 3.26Å; A327-L332 HydrophobicContact CB-CD1 3.93Å; A327-L332 HydrophobicContact CB-CG 4.41Å; A327-E339 VanDerWaalsContact CA-OE1 3.25Å; A327-E339 WeakPolarHBondContact CA-OE1 3.36Å; A327-E339 HydrophobicContact CB-CG 4.25Å; A327-L342 HydrophobicContact CB-CB 4.48Å; A327-L342 HydrophobicContact CB-CD1 4.22Å; A327-L343 HydrophobicContact CB-CD1 3.73Å; A327-Q355 PolarHBondContact N-O 3.04Å; A327-V356 CarbonylContact O-C 3.45Å; A327-V356 WeakPolarHBondContact O-CA 3.4Å; A327-E357 PolarHBondContact O-N 3.24Å
328	M	97.3	Very high	97.1	Very high	42 Å²	42	28.9 Å²	28.9	21%	0.207	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	117.3	177.3	-62.9	-61.4	-50.4	0	0	110.9	M326 T330 N331 L332 E339 E357	M326-M328 HydrophobicContact CE-SD 4.03Å; M328-T330 PolarHBondContact O-N 3.14Å; M328-T330 VanDerWaalsContact O-N 3.15Å; M328-N331 HydrophobicContact CB-CB 4.15Å; M328-N331 PolarHBondContact O-N 3Å; M328-L332 PolarHBondContact O-N 3.23Å; M328-L332 VanDerWaalsContact O-N 3.15Å; M328-E339 PolarHBondContact N-OE1 3.15Å; M328-E357 HydrophobicContact CE-CG 3.96Å; M328-E357 HydrophobicContact SD-CB 3.94Å; M328-E357 HydrophobicContact SD-CG 3.6Å; M328-E357 VanDerWaalsContact SD-CG 3.6Å
329	C	97.9	Very high	97	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.007	15%	0.154	C	C	.	.	H	α-helix	trans	-53.8	-40.2	-178.4	-69.8	0	0	0	0	113.4	A327 N331 L332 L333 E357 T363 M364 C367	A327-C329 PolarHBondContact O-N 3.26Å; C329-N331 VanDerWaalsContact C-N 3.3Å; C329-N331 PolarHBondContact O-N 2.97Å; C329-L332 PolarHBondContact O-N 2.91Å; C329-L333 WeakPolarHBondContact O-CG 3.23Å; C329-L333 PolarHBondContact O-N 2.88Å; C329-E357 PolarHBondContact N-O 3.4Å; C329-E357 PolarHBondContact SG-O 3.48Å; C329-T363 HydrophobicContact CB-CG2 3.79Å; C329-M364 HydrophobicContact CB-SD 4.39Å; C329-M364 PolarHBondContact SG-SD 2.87Å; C329-C367 HydrophobicContact CB-CB 3.72Å; C329-C367 PolarHBondContact SG-SG 3.3Å
330	T	96.8	Very high	96.9	Very high	64 Å²	64	29.3 Å²	29.3	39%	0.393	16%	0.155	S	C	.	.	H	α-helix	trans	-61.7	-38.1	178.9	53.8	0	0	0	0	112.6	M328 Q334 T363	M328-T330 PolarHBondContact O-N 3.14Å; M328-T330 VanDerWaalsContact O-N 3.15Å; T330-Q334 WeakPolarHBondContact O-CB 3.46Å; T330-Q334 WeakPolarHBondContact O-CG 3.35Å; T330-Q334 PolarHBondContact O-N 3.17Å; T330-Q334 VanDerWaalsContact O-N 3.15Å; T330-T363 HydrophobicContact CG2-CG2 3.89Å
331	N	97.6	Very high	96.8	Very high	41 Å²	41	29.1 Å²	29.1	22%	0.219	16%	0.158	C	C	.	.	H	α-helix	trans	-76.1	-34.6	-178.2	-68.4	3.4	0	0	0	111.2	M328 C329 Q334 G335 H336 E339	M328-N331 HydrophobicContact CB-CB 4.15Å; M328-N331 PolarHBondContact O-N 3Å; C329-N331 VanDerWaalsContact C-N 3.3Å; C329-N331 PolarHBondContact O-N 2.97Å; N331-Q334 PolarHBondContact O-N 3.18Å; N331-G335 PolarHBondContact O-N 3.1Å; N331-H336 HydrophobicContact CB-CB 4.24Å; N331-H336 WeakPolarHBondContact O-CB 3.38Å; N331-H336 PolarHBondContact O-N 2.74Å; N331-H336 VanDerWaalsContact O-N 3.1Å; N331-E339 HydrophobicContact CB-CB 3.89Å; N331-E339 HydrophobicContact CB-CG 3.66Å; N331-E339 WeakPolarHBondContact CB-OE2 3.25Å; N331-E339 PolarHBondContact ND2-OE2 2.85Å
332	L	97.9	Very high	96.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-61.6	-49.1	172.6	-68.7	174.8	0	0	0	110.9	A327 M328 C329 Q334 G335 E339 W340 L343 V356 C367 L370	A327-L332 HydrophobicContact CB-CD1 3.93Å; A327-L332 HydrophobicContact CB-CG 4.41Å; M328-L332 PolarHBondContact O-N 3.23Å; M328-L332 VanDerWaalsContact O-N 3.15Å; C329-L332 PolarHBondContact O-N 2.91Å; L332-Q334 PolarHBondContact O-N 3.36Å; L332-G335 PolarHBondContact O-N 2.75Å; L332-E339 HydrophobicContact CD2-CB 3.99Å; L332-E339 HydrophobicContact CD2-CG 3.82Å; L332-E339 HydrophobicContact CG-CB 4.5Å; L332-E339 HydrophobicContact CG-CG 3.92Å; L332-W340 HydrophobicContact CD2-CD2 4.3Å; L332-W340 HydrophobicContact CD2-CG 4.01Å; L332-W340 PolarHBondContact O-NE1 2.82Å; L332-L343 HydrophobicContact CD1-CD1 4.2Å; L332-L343 HydrophobicContact CD1-CD2 4.12Å; L332-L343 HydrophobicContact CD2-CD1 3.71Å; L332-L343 HydrophobicContact CD2-CD2 3.85Å; L332-L343 HydrophobicContact CD2-CG 4.47Å; L332-V356 HydrophobicContact CD1-CG1 4.43Å; L332-C367 VanDerWaalsContact CD1-SG 3.59Å; L332-L370 HydrophobicContact CB-CD2 4.39Å
333	L	97.9	Very high	96.7	Very high	29 Å²	29	30.6 Å²	30.6	15%	0.152	17%	0.166	C	C	.	.	H	α-helix	trans	-63	-23.8	176.5	-70.5	166	0	0	0	113.2	F212 C329 G335 T363 R366 C367 L370	F212-L333 HydrophobicContact CE1-CD2 4.19Å; F212-L333 HydrophobicContact CE2-CD2 4.08Å; F212-L333 HydrophobicContact CZ-CD2 3.55Å; C329-L333 WeakPolarHBondContact O-CG 3.23Å; C329-L333 PolarHBondContact O-N 2.88Å; L333-G335 VanDerWaalsContact C-N 3.35Å; L333-T363 HydrophobicContact CD1-CG2 4.04Å; L333-R366 HydrophobicContact CD1-CB 4.37Å; L333-R366 HydrophobicContact CD2-CB 4.06Å; L333-C367 HydrophobicContact CD1-CB 4.46Å; L333-L370 HydrophobicContact CD2-CD2 4.08Å
334	Q	97.5	Very high	96.6	Very high	93 Å²	93	32.8 Å²	32.8	44%	0.435	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-2.7	174.4	-72.1	169.4	-1.7	0	0	113.6	R206 T330 N331 L332 H336	R206-Q334 WeakPolarHBondContact CG-O 3.32Å; T330-Q334 WeakPolarHBondContact O-CB 3.46Å; T330-Q334 WeakPolarHBondContact O-CG 3.35Å; T330-Q334 PolarHBondContact O-N 3.17Å; T330-Q334 VanDerWaalsContact O-N 3.15Å; N331-Q334 PolarHBondContact O-N 3.18Å; L332-Q334 PolarHBondContact O-N 3.36Å; Q334-H336 VanDerWaalsContact C-N 3.33Å; Q334-H336 PolarHBondContact O-N 3.27Å; Q334-H336 PolarHBondContact OE1-CE1 2.96Å; Q334-H336 VanDerWaalsContact OE1-CE1 3.26Å; Q334-H336 PolarHBondContact OE1-NE2 3.08Å
335	G	96.5	Very high	96.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.1	30.5	-179.2	0	0	0	0	0	113.6	Q202 N331 L332 L333 Q337	Q202-G335 PolarHBondContact NE2-O 3.33Å; N331-G335 PolarHBondContact O-N 3.1Å; L332-G335 PolarHBondContact O-N 2.75Å; L333-G335 VanDerWaalsContact C-N 3.35Å; G335-Q337 PolarHBondContact O-N 2.85Å
336	H	96.8	Very high	96.8	Very high	75 Å²	75	33.3 Å²	33.3	35%	0.347	18%	0.177	S	C	.	.			trans	-70.3	115.1	176.4	-74.1	-172.9	0	0	0	110.7	N331 Q334 S338 E339 W340	N331-H336 HydrophobicContact CB-CB 4.24Å; N331-H336 WeakPolarHBondContact O-CB 3.38Å; N331-H336 PolarHBondContact O-N 2.74Å; N331-H336 VanDerWaalsContact O-N 3.1Å; Q334-H336 VanDerWaalsContact C-N 3.33Å; Q334-H336 PolarHBondContact O-N 3.27Å; Q334-H336 PolarHBondContact OE1-CE1 2.96Å; Q334-H336 VanDerWaalsContact OE1-CE1 3.26Å; Q334-H336 PolarHBondContact OE1-NE2 3.08Å; H336-S338 VanDerWaalsContact C-N 3.26Å; H336-S338 PolarHBondContact O-N 3.37Å; H336-E339 HydrophobicContact CB-CB 4.28Å; H336-E339 WeakPolarHBondContact O-CB 3.24Å; H336-E339 PolarHBondContact O-N 2.98Å; H336-W340 PolarHBondContact O-N 3.33Å; H336-W340 VanDerWaalsContact O-N 3.13Å
337	Q	93.7	Very high	96.8	Very high	82 Å²	82	36.6 Å²	36.6	38%	0.383	19%	0.192	S	C	.	.	H	α-helix	trans	-58.7	-36.8	-174.9	-163.8	75.7	35	0	0	113.1	G335 E339 W340 A341	G335-Q337 PolarHBondContact O-N 2.85Å; Q337-E339 VanDerWaalsContact C-N 3.28Å; Q337-E339 PolarHBondContact O-N 2.73Å; Q337-W340 PolarHBondContact O-N 3.2Å; Q337-A341 PolarHBondContact O-N 3.47Å
338	S	93.6	Very high	96.7	Very high	88 Å²	88	38.5 Å²	38.5	62%	0.615	21%	0.206	S	C	*	.	H	α-helix	trans	-64.2	-34	179.2	53.7	0	0	0	0	112.4	H336	H336-S338 VanDerWaalsContact C-N 3.26Å; H336-S338 PolarHBondContact O-N 3.37Å
339	E	96.2	Very high	96.8	Very high	20 Å²	20	36.5 Å²	36.5	9%	0.093	20%	0.196	C	C	.	.	H	α-helix	trans	-76.3	-43.8	178.2	-151.3	76.6	-149	0	0	110.9	A327 M328 N331 L332 H336 Q337 A341 L342 L343	A327-E339 VanDerWaalsContact CA-OE1 3.25Å; A327-E339 WeakPolarHBondContact CA-OE1 3.36Å; A327-E339 HydrophobicContact CB-CG 4.25Å; M328-E339 PolarHBondContact N-OE1 3.15Å; N331-E339 HydrophobicContact CB-CB 3.89Å; N331-E339 HydrophobicContact CB-CG 3.66Å; N331-E339 WeakPolarHBondContact CB-OE2 3.25Å; N331-E339 PolarHBondContact ND2-OE2 2.85Å; L332-E339 HydrophobicContact CD2-CB 3.99Å; L332-E339 HydrophobicContact CD2-CG 3.82Å; L332-E339 HydrophobicContact CG-CB 4.5Å; L332-E339 HydrophobicContact CG-CG 3.92Å; H336-E339 HydrophobicContact CB-CB 4.28Å; H336-E339 WeakPolarHBondContact O-CB 3.24Å; H336-E339 PolarHBondContact O-N 2.98Å; Q337-E339 VanDerWaalsContact C-N 3.28Å; Q337-E339 PolarHBondContact O-N 2.73Å; E339-A341 PolarHBondContact O-N 2.79Å; E339-L342 VanDerWaalsContact O-CB 3.27Å; E339-L342 WeakPolarHBondContact O-CB 3.47Å; E339-L342 VanDerWaalsContact O-CG 3.31Å; E339-L342 WeakPolarHBondContact O-CG 3.4Å; E339-L342 PolarHBondContact O-N 3.32Å; E339-L343 WeakPolarHBondContact O-CD1 3.19Å
340	W	96.6	Very high	96.6	Very high	5 Å²	5	42.1 Å²	42.1	2%	0.019	23%	0.225	C	C	.	.	H	α-helix	trans	-62.8	-26.3	176.5	-84.5	80.9	0	0	0	113.2	L197 L201 L205 L332 H336 Q337 L342 L343 L370 T375	L197-W340 HydrophobicContact CB-CB 3.86Å; L197-W340 HydrophobicContact CB-CD2 3.82Å; L197-W340 HydrophobicContact CB-CE3 3.86Å; L197-W340 HydrophobicContact CB-CG 3.85Å; L197-W340 HydrophobicContact CD1-CD2 3.81Å; L197-W340 HydrophobicContact CD1-CE3 4.08Å; L197-W340 HydrophobicContact CD1-CG 4.31Å; L197-W340 HydrophobicContact CD1-CH2 4.25Å; L197-W340 HydrophobicContact CD1-CZ2 3.98Å; L197-W340 HydrophobicContact CD1-CZ3 4.29Å; L197-W340 HydrophobicContact CD2-CB 4.13Å; L197-W340 HydrophobicContact CD2-CD2 4.12Å; L197-W340 HydrophobicContact CD2-CG 3.71Å; L197-W340 HydrophobicContact CG-CD2 4.12Å; L197-W340 HydrophobicContact CG-CE3 4.47Å; L197-W340 HydrophobicContact CG-CG 4.16Å; L201-W340 HydrophobicContact CD2-CH2 3.57Å; L201-W340 HydrophobicContact CD2-CZ2 4.06Å; L201-W340 HydrophobicContact CD2-CZ3 4.21Å; L205-W340 HydrophobicContact CD1-CZ2 3.71Å; L332-W340 HydrophobicContact CD2-CD2 4.3Å; L332-W340 HydrophobicContact CD2-CG 4.01Å; L332-W340 PolarHBondContact O-NE1 2.82Å; H336-W340 PolarHBondContact O-N 3.33Å; H336-W340 VanDerWaalsContact O-N 3.13Å; Q337-W340 PolarHBondContact O-N 3.2Å; W340-L342 PolarHBondContact O-N 3.06Å; W340-L343 HydrophobicContact CE3-CD2 4.49Å; W340-L343 PolarHBondContact O-N 2.86Å; W340-L370 HydrophobicContact CH2-CD2 4.4Å; W340-L370 HydrophobicContact CH2-CG 4.19Å; W340-L370 HydrophobicContact CZ2-CD1 4.32Å; W340-L370 HydrophobicContact CZ2-CD2 3.71Å; W340-L370 HydrophobicContact CZ2-CG 3.98Å; W340-T375 HydrophobicContact CZ3-CG2 4.03Å
341	A	95.3	Very high	96.6	Very high	31 Å²	31	40.5 Å²	40.5	26%	0.256	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-61.8	-24.2	173.6	0	0	0	0	0	113	Q337 E339 L343	Q337-A341 PolarHBondContact O-N 3.47Å; E339-A341 PolarHBondContact O-N 2.79Å; A341-L343 VanDerWaalsContact C-N 3.27Å; A341-L343 PolarHBondContact O-N 3.15Å
342	L	97.2	Very high	96.6	Very high	29 Å²	29	38.5 Å²	38.5	15%	0.152	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-73.8	-19.6	179.8	-50.4	-178.1	0	0	0	112.7	G324 E325 A327 E339 W340	G324-L342 WeakPolarHBondContact CA-O 3.48Å; E325-L342 HydrophobicContact CB-CB 4.5Å; E325-L342 HydrophobicContact CB-CD1 4.29Å; E325-L342 HydrophobicContact CB-CD2 4.09Å; E325-L342 HydrophobicContact CG-CD2 4.38Å; A327-L342 HydrophobicContact CB-CB 4.48Å; A327-L342 HydrophobicContact CB-CD1 4.22Å; E339-L342 VanDerWaalsContact O-CB 3.27Å; E339-L342 WeakPolarHBondContact O-CB 3.47Å; E339-L342 VanDerWaalsContact O-CG 3.31Å; E339-L342 WeakPolarHBondContact O-CG 3.4Å; E339-L342 PolarHBondContact O-N 3.32Å; W340-L342 PolarHBondContact O-N 3.06Å
343	L	97.8	Very high	96.6	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.016	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-90	-5.5	-177.1	-75.5	59.6	0	0	0	112.3	N195 A327 L332 E339 W340 A341 R345 V354 I371 T375	N195-L343 VanDerWaalsContact CB-O 3.24Å; N195-L343 WeakPolarHBondContact CB-O 3.47Å; N195-L343 PolarHBondContact ND2-O 3.33Å; A327-L343 HydrophobicContact CB-CD1 3.73Å; L332-L343 HydrophobicContact CD1-CD1 4.2Å; L332-L343 HydrophobicContact CD1-CD2 4.12Å; L332-L343 HydrophobicContact CD2-CD1 3.71Å; L332-L343 HydrophobicContact CD2-CD2 3.85Å; L332-L343 HydrophobicContact CD2-CG 4.47Å; E339-L343 WeakPolarHBondContact O-CD1 3.19Å; W340-L343 HydrophobicContact CE3-CD2 4.49Å; W340-L343 PolarHBondContact O-N 2.86Å; A341-L343 VanDerWaalsContact C-N 3.27Å; A341-L343 PolarHBondContact O-N 3.15Å; L343-R345 PolarHBondContact O-N 2.71Å; L343-V354 HydrophobicContact CB-CG1 4.17Å; L343-V354 HydrophobicContact CG-CB 4.43Å; L343-V354 HydrophobicContact CG-CG1 3.97Å; L343-I371 HydrophobicContact CD2-CG1 4.24Å; L343-T375 HydrophobicContact CD2-CG2 4.19Å
344	K	97.8	Very high	96.7	Very high	45 Å²	45	37.2 Å²	37.2	20%	0.196	20%	0.197	C	C	.	.			trans	-62.7	133.5	-179.1	-74.4	-176.4	163.9	-159.2	0	111.3	V193 S196 L308 R311	V193-K344 HydrophobicContact CG1-CB 4.02Å; V193-K344 HydrophobicContact CG1-CD 4.05Å; V193-K344 HydrophobicContact CG1-CG 4.2Å; S196-K344 WeakPolarHBondContact OG-CE 3.14Å; L308-K344 HydrophobicContact CD2-CB 4.34Å; R311-K344 PolarHBondContact NH2-O 3.11Å
345	R	97.7	Very high	96.7	Very high	21 Å²	21	33 Å²	33	8%	0.079	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	135.1	176.6	-179.5	-177.3	-177	156.9	12.3	109.4	V193 K194 L343 E349 D350 F352 D376 D378	V193-R345 CarbonylContact C-O 3.51Å; V193-R345 VanDerWaalsContact CA-O 3.27Å; V193-R345 WeakPolarHBondContact CA-O 3.31Å; K194-R345 PolarHBondContact N-O 2.91Å; K194-R345 PolarHBondContact O-N 2.75Å; L343-R345 PolarHBondContact O-N 2.71Å; R345-E349 WeakPolarHBondContact CA-OE2 3.39Å; R345-E349 HydrophobicContact CG-CB 4.25Å; R345-E349 PolarHBondContact NE-O 3.08Å; R345-E349 VanDerWaalsContact NE-O 3.13Å; R345-E349 PolarHBondContact NH2-O 2.92Å; R345-D350 PolarHBondContact NH2-O 3.23Å; R345-F352 HydrophobicContact CB-CD1 3.69Å; R345-F352 HydrophobicContact CB-CE1 3.84Å; R345-F352 HydrophobicContact CB-CG 4.13Å; R345-F352 HydrophobicContact CB-CZ 4.41Å; R345-F352 HydrophobicContact CG-CB 3.98Å; R345-F352 HydrophobicContact CG-CD1 3.78Å; R345-F352 HydrophobicContact CG-CE1 4.42Å; R345-F352 HydrophobicContact CG-CG 3.83Å; R345-D376 IonicContact NH1-OD1 3.99Å; R345-D376 PolarHBondContact NH1-OD1 2.99Å; R345-D378 IonicContact CZ-OD1 3.73Å; R345-D378 IonicContact CZ-OD2 2.57Å; R345-D378 VanDerWaalsContact CZ-OD2 3.23Å; R345-D378 IonicContact NH1-OD1 2.78Å; R345-D378 PolarHBondContact NH1-OD1 3.24Å; R345-D378 IonicContact NH1-OD2 3.72Å; R345-D378 PolarHBondContact NH1-OD2 2.9Å; R345-D378 VanDerWaalsContact NH1-OD2 3.07Å; R345-D378 IonicContact NH2-OD1 3.1Å; R345-D378 IonicContact NH2-OD2 3.94Å; R345-D378 PolarHBondContact NH2-OD2 3.33Å
346	H	97.7	Very high	96.8	Very high	9 Å²	9	33 Å²	33	4%	0.042	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	151.6	168	-178.1	-95.8	0	0	0	110.4	L192 L308 R312 S348 E349 E549	L192-H346 CarbonylContact O-C 3.58Å; L192-H346 VanDerWaalsContact O-CA 3.28Å; L192-H346 WeakPolarHBondContact O-CA 3.38Å; L192-H346 PolarHBondContact O-CD2 2.99Å; L308-H346 HydrophobicContact CD1-CB 3.71Å; L308-H346 HydrophobicContact CD2-CB 4.25Å; L308-H346 HydrophobicContact CG-CB 4.29Å; R312-H346 HydrophobicContact CG-CB 4.16Å; R312-H346 PolarHBondContact NE-ND1 2.91Å; R312-H346 PolarHBondContact NH2-NE2 2.98Å; H346-S348 VanDerWaalsContact ND1-CB 3.29Å; H346-S348 WeakPolarHBondContact ND1-CB 3.46Å; H346-S348 PolarHBondContact ND1-N 3.07Å; H346-S348 PolarHBondContact ND1-OG 2.82Å; H346-S348 PolarHBondContact O-N 2.82Å; H346-S348 VanDerWaalsContact O-N 3.1Å; H346-E349 PolarHBondContact N-OE2 3.2Å; H346-E349 WeakPolarHBondContact O-CB 3.43Å; H346-E349 PolarHBondContact O-N 3.28Å; H346-E549 IonicContact CD2-OE1 3.91Å; H346-E549 IonicContact NE2-OE1 3.78Å
347	E	95.8	Very high	96.8	Very high	90 Å²	90	29.5 Å²	29.5	42%	0.421	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-25.7	-179.1	62.4	171	-174.3	0	0	114	L192 E349	L192-E347 VanDerWaalsContact CD2-CD 3.42Å; L192-E347 HydrophobicContact CD2-CG 4.26Å; L192-E347 WeakPolarHBondContact CD2-OE1 3.46Å; L192-E347 PolarHBondContact O-N 3.45Å; E347-E349 PolarHBondContact O-N 2.88Å
348	S	96.3	Very high	96.9	Very high	41 Å²	41	26 Å²	26	29%	0.287	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-4.1	175.6	72.5	0	0	0	0	114.3	K315 H346	K315-S348 WeakPolarHBondContact CE-O 3.17Å; H346-S348 VanDerWaalsContact ND1-CB 3.29Å; H346-S348 WeakPolarHBondContact ND1-CB 3.46Å; H346-S348 PolarHBondContact ND1-N 3.07Å; H346-S348 PolarHBondContact ND1-OG 2.82Å; H346-S348 PolarHBondContact O-N 2.82Å; H346-S348 VanDerWaalsContact O-N 3.1Å
349	E	97.6	Very high	97	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.123	C	C	.	.			trans	-95.5	91.1	178.5	-64.7	177.5	112.4	0	0	109.3	L308 R311 K315 T322 R345 H346 E347 L351 F352	L308-E349 WeakPolarHBondContact CD1-OE2 3.41Å; R311-E349 IonicContact CZ-OE1 3.26Å; R311-E349 IonicContact NE-OE1 3.8Å; R311-E349 PolarHBondContact NE-OE1 2.81Å; R311-E349 IonicContact NH2-OE1 3.22Å; R311-E349 PolarHBondContact NH2-OE1 2.9Å; R311-E349 VanDerWaalsContact NH2-OE1 3.11Å; R311-E349 IonicContact NH2-OE2 2.79Å; R311-E349 PolarHBondContact NH2-OE2 3.21Å; K315-E349 HydrophobicContact CG-CG 4.22Å; T322-E349 WeakPolarHBondContact CB-OE1 3.49Å; T322-E349 HydrophobicContact CG2-CG 4.47Å; T322-E349 PolarHBondContact OG1-OE1 2.97Å; R345-E349 WeakPolarHBondContact CA-OE2 3.39Å; R345-E349 HydrophobicContact CG-CB 4.25Å; R345-E349 PolarHBondContact NE-O 3.08Å; R345-E349 VanDerWaalsContact NE-O 3.13Å; R345-E349 PolarHBondContact NH2-O 2.92Å; H346-E349 PolarHBondContact N-OE2 3.2Å; H346-E349 WeakPolarHBondContact O-CB 3.43Å; H346-E349 PolarHBondContact O-N 3.28Å; E347-E349 PolarHBondContact O-N 2.88Å; E349-L351 PolarHBondContact O-N 3.01Å; E349-F352 HydrophobicContact CB-CB 4.17Å
350	D	94.1	Very high	97	Very high	118 Å²	118	26 Å²	26	63%	0.631	14%	0.138	S	C	*	.	S	Bend	trans	-63.9	-39.7	-176.3	-41.4	-62.4	0	0	0	112.9	K315 R345	K315-D350 WeakPolarHBondContact CE-OD2 3.21Å; K315-D350 IonicContact NZ-OD2 2.95Å; K315-D350 PolarHBondContact NZ-OD2 3.46Å; R345-D350 PolarHBondContact NH2-O 3.23Å
351	L	97.5	Very high	97	Very high	30 Å²	30	26.3 Å²	26.3	16%	0.157	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	108.2	174.6	-165.2	74.2	0	0	0	110	V291 I321 T322 E349 D378 F379	V291-L351 HydrophobicContact CB-CD1 4.45Å; V291-L351 HydrophobicContact CG1-CD1 3.56Å; V291-L351 HydrophobicContact CG1-CD2 3.55Å; V291-L351 HydrophobicContact CG1-CG 4.13Å; V291-L351 HydrophobicContact CG2-CD1 4.08Å; I321-L351 HydrophobicContact CB-CD2 4.26Å; I321-L351 HydrophobicContact CD1-CD2 3.71Å; I321-L351 HydrophobicContact CG1-CD2 3.74Å; I321-L351 HydrophobicContact CG2-CD2 3.93Å; I321-L351 HydrophobicContact CG2-CG 4.25Å; T322-L351 PolarHBondContact N-O 3.18Å; T322-L351 PolarHBondContact OG1-O 2.97Å; E349-L351 PolarHBondContact O-N 3.01Å; L351-D378 VanDerWaalsContact CA-OD2 3.31Å; L351-D378 WeakPolarHBondContact CA-OD2 3.17Å; L351-D378 HydrophobicContact CD1-CB 3.59Å; L351-D378 HydrophobicContact CG-CB 4.4Å; L351-F379 HydrophobicContact CG-CE1 4.42Å
352	F	98.3	Very high	97.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	127.4	-172.6	177.3	-105.7	0	0	0	111.8	R311 T322 R345 E349 V354 V377 D378	R311-F352 VanDerWaalsContact NH2-CE2 3.31Å; T322-F352 WeakPolarHBondContact O-CA 3.21Å; R345-F352 HydrophobicContact CB-CD1 3.69Å; R345-F352 HydrophobicContact CB-CE1 3.84Å; R345-F352 HydrophobicContact CB-CG 4.13Å; R345-F352 HydrophobicContact CB-CZ 4.41Å; R345-F352 HydrophobicContact CG-CB 3.98Å; R345-F352 HydrophobicContact CG-CD1 3.78Å; R345-F352 HydrophobicContact CG-CE1 4.42Å; R345-F352 HydrophobicContact CG-CG 3.83Å; E349-F352 HydrophobicContact CB-CB 4.17Å; F352-V354 HydrophobicContact CE1-CG1 3.62Å; F352-V354 HydrophobicContact CZ-CG1 3.92Å; F352-V377 HydrophobicContact CD1-CG1 4.27Å; F352-V377 HydrophobicContact CE1-CG1 4.17Å; F352-D378 PolarHBondContact N-OD2 3.32Å; F352-D378 WeakPolarHBondContact O-CB 3.48Å; F352-D378 PolarHBondContact O-N 3.48Å
353	G	98	Very high	97.1	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	163.7	171	0	0	0	0	0	113.6	T322 C323 G324 F379	T322-G353 PolarHBondContact O-N 3.17Å; C323-G353 VanDerWaalsContact CA-O 3.24Å; C323-G353 WeakPolarHBondContact CA-O 3.32Å; C323-G353 PolarHBondContact SG-O 3.07Å; C323-G353 VanDerWaalsContact SG-O 3.35Å; G324-G353 PolarHBondContact N-O 3.26Å; G353-F379 VanDerWaalsContact CA-CZ 3.45Å; G353-F379 VanDerWaalsContact CA-O 3.29Å; G353-F379 WeakPolarHBondContact CA-O 3.36Å; G353-F379 VanDerWaalsContact N-CE1 3.34Å
354	V	98.3	Very high	97.1	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.012	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	126.2	168.7	-67.1	0	0	0	0	109.7	L343 F352 I371 V377 F379 V380 D381	L343-V354 HydrophobicContact CB-CG1 4.17Å; L343-V354 HydrophobicContact CG-CB 4.43Å; L343-V354 HydrophobicContact CG-CG1 3.97Å; F352-V354 HydrophobicContact CE1-CG1 3.62Å; F352-V354 HydrophobicContact CZ-CG1 3.92Å; V354-I371 HydrophobicContact CG2-CD1 4.04Å; V354-I371 HydrophobicContact CG2-CG2 3.87Å; V354-V377 HydrophobicContact CB-CG1 4.34Å; V354-V377 HydrophobicContact CG1-CG1 3.56Å; V354-V377 HydrophobicContact CG2-CB 4.5Å; V354-V377 HydrophobicContact CG2-CG1 3.89Å; V354-F379 PolarHBondContact N-O 3.06Å; V354-V380 HydrophobicContact CG2-CB 4.48Å; V354-V380 HydrophobicContact CG2-CG1 4.29Å; V354-V380 HydrophobicContact CG2-CG2 3.98Å; V354-D381 PolarHBondContact O-N 3.48Å
355	Q	98.5	Very high	97.1	Very high	3 Å²	3	24.8 Å²	24.8	1%	0.014	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	124.4	175.5	-176.2	176.3	80.5	0	0	110.4	P301 C323 A327 D381 N383	P301-Q355 HydrophobicContact CB-CB 4.13Å; P301-Q355 HydrophobicContact CG-CB 4.31Å; P301-Q355 HydrophobicContact CG-CG 4.43Å; C323-Q355 PolarHBondContact SG-N 2.82Å; C323-Q355 VanDerWaalsContact SG-N 3.44Å; A327-Q355 PolarHBondContact N-O 3.04Å; Q355-D381 CarbonylContact C-O 3.53Å; Q355-D381 VanDerWaalsContact CA-O 3.29Å; Q355-D381 WeakPolarHBondContact CA-O 3.31Å; Q355-D381 HydrophobicContact CB-CB 4.19Å; Q355-D381 HydrophobicContact CG-CB 4.3Å; Q355-D381 WeakPolarHBondContact CG-OD2 3.34Å; Q355-D381 PolarHBondContact NE2-OD2 3Å; Q355-N383 HydrophobicContact CG-CB 3.83Å; Q355-N383 PolarHBondContact OE1-ND2 3.09Å
356	V	98.3	Very high	97.2	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.006	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	147.9	179.5	-67.5	0	0	0	0	112.5	A327 L332 M364 I371 V380 D381 N383 M414	A327-V356 CarbonylContact O-C 3.45Å; A327-V356 WeakPolarHBondContact O-CA 3.4Å; L332-V356 HydrophobicContact CD1-CG1 4.43Å; V356-M364 HydrophobicContact CG2-CE 3.76Å; V356-I371 HydrophobicContact CG1-CD1 3.5Å; V356-V380 HydrophobicContact CG1-CG1 4.45Å; V356-V380 HydrophobicContact CG2-CG1 3.86Å; V356-D381 WeakPolarHBondContact CG2-O 3.27Å; V356-D381 PolarHBondContact N-O 2.74Å; V356-N383 PolarHBondContact O-N 3.34Å; V356-M414 HydrophobicContact CG2-CE 3.82Å
357	E	97.3	Very high	97.2	Very high	2 Å²	2	27.2 Å²	27.2	1%	0.009	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	130.3	-179	173.7	64.2	-126.3	0	0	110.9	M326 A327 M328 C329 N383 V391 G396 G397	M326-E357 HydrophobicContact CE-CB 4.43Å; M326-E357 HydrophobicContact CE-CG 4.34Å; M326-E357 HydrophobicContact CG-CB 3.64Å; M326-E357 HydrophobicContact CG-CG 4.37Å; M326-E357 HydrophobicContact SD-CB 3.87Å; M326-E357 HydrophobicContact SD-CG 3.92Å; A327-E357 PolarHBondContact O-N 3.24Å; M328-E357 HydrophobicContact CE-CG 3.96Å; M328-E357 HydrophobicContact SD-CB 3.94Å; M328-E357 HydrophobicContact SD-CG 3.6Å; M328-E357 VanDerWaalsContact SD-CG 3.6Å; C329-E357 PolarHBondContact N-O 3.4Å; C329-E357 PolarHBondContact SG-O 3.48Å; E357-N383 HydrophobicContact CB-CB 4.35Å; E357-N383 WeakPolarHBondContact OE2-CB 3.28Å; E357-N383 PolarHBondContact OE2-OD1 3.47Å; E357-V391 VanDerWaalsContact CD-CG1 3.41Å; E357-V391 HydrophobicContact CG-CG1 3.93Å; E357-V391 WeakPolarHBondContact OE1-CG1 3.46Å; E357-G396 WeakPolarHBondContact OE1-CA 3.3Å; E357-G397 PolarHBondContact OE1-N 3.38Å; E357-G397 WeakPolarHBondContact OE2-CA 3.33Å; E357-G397 PolarHBondContact OE2-N 3.24Å
358	G	95.8	Very high	97.4	Very high	9 Å²	9	23 Å²	23	9%	0.093	12%	0.12	C	C	.	.			trans	-179.3	172.2	178.8	0	0	0	0	0	111.5	M364	G358-M364 WeakPolarHBondContact CA-SD 3.43Å; G358-M364 PolarHBondContact N-SD 3.1Å
359	C	94.6	Very high	97.5	Very high	16 Å²	16	21.5 Å²	21.5	11%	0.108	11%	0.109	C	C	.	.	S	Bend	trans	-134.4	5	-168.9	59.8	0	0	0	0	114.9	K394 G395 R403	C359-K394 PolarHBondContact SG-O 3.46Å; C359-G395 VanDerWaalsContact CB-C 3.46Å; C359-G395 VanDerWaalsContact CB-O 3.22Å; C359-G395 WeakPolarHBondContact CB-O 3.14Å; C359-R403 PolarHBondContact O-NH1 2.66Å
360	F	96.6	Very high	97.5	Very high	90 Å²	90	21.5 Å²	21.5	40%	0.395	11%	0.109	S	C	.	.			trans	-132.9	138.2	-179.2	-60.9	-80.2	0	0	0	111.8	D362 T363 M364	F360-D362 VanDerWaalsContact C-N 3.33Å; F360-D362 WeakPolarHBondContact CB-OD1 3.24Å; F360-D362 PolarHBondContact O-N 3.06Å; F360-T363 PolarHBondContact O-N 3.22Å; F360-M364 WeakPolarHBondContact O-CG 3.48Å; F360-M364 PolarHBondContact O-N 2.77Å
361	P	97.1	Very high	97.7	Very high	13 Å²	13	16 Å²	16	8%	0.084	8%	0.08	C	C	.	.	H	α-helix	trans	-55.6	-41.7	178.6	-26.3	33.6	0	0	0	114.1	L222 T363 T365 Q409 I410	L222-P361 HydrophobicContact CD1-CB 4.43Å; P361-T363 VanDerWaalsContact C-N 3.33Å; P361-T363 PolarHBondContact O-N 3.13Å; P361-T365 WeakPolarHBondContact O-CB 3.22Å; P361-T365 PolarHBondContact O-N 3.43Å; P361-T365 PolarHBondContact O-OG1 3.01Å; P361-Q409 HydrophobicContact CB-CB 4.07Å; P361-Q409 HydrophobicContact CG-CB 3.56Å; P361-I410 HydrophobicContact CB-CG1 4.29Å; P361-I410 HydrophobicContact CG-CG1 4.06Å
362	D	96.5	Very high	97.7	Very high	54 Å²	54	16 Å²	16	29%	0.289	8%	0.08	S	C	.	.	H	α-helix	trans	-61.8	-40.3	-179.2	75.2	-59.7	0	0	0	112.5	L219 F360 R366	L219-D362 HydrophobicContact CD1-CB 3.92Å; L219-D362 HydrophobicContact CD2-CB 3.98Å; F360-D362 VanDerWaalsContact C-N 3.33Å; F360-D362 WeakPolarHBondContact CB-OD1 3.24Å; F360-D362 PolarHBondContact O-N 3.06Å; D362-R366 WeakPolarHBondContact O-CB 3.38Å; D362-R366 VanDerWaalsContact O-CG 3.26Å; D362-R366 WeakPolarHBondContact O-CG 3.38Å; D362-R366 PolarHBondContact O-N 3.47Å; D362-R366 PolarHBondContact O-NE 2.82Å; D362-R366 IonicContact OD2-CZ 2.68Å; D362-R366 IonicContact OD2-NH2 3.21Å; D362-R366 PolarHBondContact OD2-NH2 2.79Å
363	T	97.4	Very high	97.6	Very high	20 Å²	20	19.8 Å²	19.8	12%	0.123	10%	0.1	C	C	.	.	H	α-helix	trans	-78.7	-43.8	-176.6	-62.4	0	0	0	0	110.3	C329 T330 L333 F360 P361 C367	C329-T363 HydrophobicContact CB-CG2 3.79Å; T330-T363 HydrophobicContact CG2-CG2 3.89Å; L333-T363 HydrophobicContact CD1-CG2 4.04Å; F360-T363 PolarHBondContact O-N 3.22Å; P361-T363 VanDerWaalsContact C-N 3.33Å; P361-T363 PolarHBondContact O-N 3.13Å; T363-C367 VanDerWaalsContact O-CB 3.23Å; T363-C367 WeakPolarHBondContact O-CB 3.28Å; T363-C367 PolarHBondContact O-N 3.24Å
364	M	98.4	Very high	97.6	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	12%	0.115	C	C	.	.	H	α-helix	trans	-67.3	-42.5	179.7	-67.7	-68.9	-67.3	0	0	111.8	C329 V356 G358 F360 C367 A368 I382 I410 M414	C329-M364 HydrophobicContact CB-SD 4.39Å; C329-M364 PolarHBondContact SG-SD 2.87Å; V356-M364 HydrophobicContact CG2-CE 3.76Å; G358-M364 WeakPolarHBondContact CA-SD 3.43Å; G358-M364 PolarHBondContact N-SD 3.1Å; F360-M364 WeakPolarHBondContact O-CG 3.48Å; F360-M364 PolarHBondContact O-N 2.77Å; M364-C367 PolarHBondContact O-N 3.5Å; M364-A368 WeakPolarHBondContact O-CB 3.16Å; M364-A368 PolarHBondContact O-N 3.39Å; M364-I382 HydrophobicContact CE-CG1 4.11Å; M364-I382 HydrophobicContact CE-CG2 4.01Å; M364-I410 HydrophobicContact CB-CB 4.47Å; M364-I410 HydrophobicContact CB-CG1 4.11Å; M364-I410 HydrophobicContact CB-CG2 3.74Å; M364-I410 HydrophobicContact CE-CG2 3.93Å; M364-I410 HydrophobicContact CG-CD1 3.99Å; M364-I410 HydrophobicContact CG-CG1 3.94Å; M364-I410 HydrophobicContact CG-CG2 3.78Å; M364-M414 HydrophobicContact CB-CG 4.39Å; M364-M414 HydrophobicContact CB-SD 4.16Å; M364-M414 HydrophobicContact CE-CE 4.34Å; M364-M414 HydrophobicContact CE-SD 3.57Å; M364-M414 VanDerWaalsContact CE-SD 3.57Å
365	T	98.4	Very high	97.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-66.5	-46.5	-179.1	-51.2	0	0	0	0	111.1	S215 Y218 P361 C367 A368 E369 G413 V417	S215-T365 PolarHBondContact OG-O 2.79Å; Y218-T365 HydrophobicContact CD1-CG2 4.07Å; P361-T365 WeakPolarHBondContact O-CB 3.22Å; P361-T365 PolarHBondContact O-N 3.43Å; P361-T365 PolarHBondContact O-OG1 3.01Å; T365-C367 VanDerWaalsContact C-N 3.32Å; T365-C367 PolarHBondContact O-N 3.23Å; T365-A368 WeakPolarHBondContact O-CB 3.36Å; T365-A368 PolarHBondContact O-N 3.4Å; T365-A368 VanDerWaalsContact O-N 3.14Å; T365-E369 PolarHBondContact O-N 2.96Å; T365-G413 WeakPolarHBondContact CG2-O 3.29Å; T365-V417 HydrophobicContact CG2-CG1 3.66Å; T365-V417 HydrophobicContact CG2-CG2 4.19Å
366	R	98.5	Very high	97.4	Very high	82 Å²	82	26.8 Å²	26.8	31%	0.309	13%	0.133	S	C	.	.	H	α-helix	trans	-61.6	-39.1	174.5	-71.7	-176.6	-69.8	169.4	-5.4	112.8	F212 S215 L333 D362 A368 E369 L370	F212-R366 HydrophobicContact CB-CG 3.9Å; F212-R366 HydrophobicContact CD1-CB 4.1Å; F212-R366 HydrophobicContact CD1-CG 4.35Å; F212-R366 WeakPolarHBondContact CD1-O 3.36Å; F212-R366 HydrophobicContact CD2-CB 4.27Å; F212-R366 HydrophobicContact CD2-CG 4.05Å; F212-R366 HydrophobicContact CE1-CB 4.36Å; F212-R366 VanDerWaalsContact CE1-O 3.25Å; F212-R366 WeakPolarHBondContact CE1-O 3.22Å; F212-R366 HydrophobicContact CG-CB 4.05Å; F212-R366 HydrophobicContact CG-CG 3.84Å; S215-R366 WeakPolarHBondContact OG-CA 3.29Å; S215-R366 PolarHBondContact OG-N 3.25Å; L333-R366 HydrophobicContact CD1-CB 4.37Å; L333-R366 HydrophobicContact CD2-CB 4.06Å; D362-R366 WeakPolarHBondContact O-CB 3.38Å; D362-R366 VanDerWaalsContact O-CG 3.26Å; D362-R366 WeakPolarHBondContact O-CG 3.38Å; D362-R366 PolarHBondContact O-N 3.47Å; D362-R366 PolarHBondContact O-NE 2.82Å; D362-R366 IonicContact OD2-CZ 2.68Å; D362-R366 IonicContact OD2-NH2 3.21Å; D362-R366 PolarHBondContact OD2-NH2 2.79Å; R366-A368 VanDerWaalsContact C-N 3.34Å; R366-E369 PolarHBondContact O-N 2.77Å; R366-L370 WeakPolarHBondContact O-CB 3.1Å; R366-L370 PolarHBondContact O-N 3.33Å
367	C	98.5	Very high	97.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-64.9	-39.9	175.3	-171.2	0	0	0	0	111.7	C329 L332 L333 T363 M364 T365 L370 I371	C329-C367 HydrophobicContact CB-CB 3.72Å; C329-C367 PolarHBondContact SG-SG 3.3Å; L332-C367 VanDerWaalsContact CD1-SG 3.59Å; L333-C367 HydrophobicContact CD1-CB 4.46Å; T363-C367 VanDerWaalsContact O-CB 3.23Å; T363-C367 WeakPolarHBondContact O-CB 3.28Å; T363-C367 PolarHBondContact O-N 3.24Å; M364-C367 PolarHBondContact O-N 3.5Å; T365-C367 VanDerWaalsContact C-N 3.32Å; T365-C367 PolarHBondContact O-N 3.23Å; C367-L370 WeakPolarHBondContact O-CB 3.1Å; C367-L370 PolarHBondContact O-N 3.03Å; C367-I371 WeakPolarHBondContact O-CG1 3.32Å; C367-I371 PolarHBondContact O-N 3.38Å
368	A	98.6	Very high	97.4	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.008	14%	0.136	C	C	.	.	H	α-helix	trans	-64.5	-43	175.9	0	0	0	0	0	112	M364 T365 R366 L370 I371 N372 M414 V417 L418	M364-A368 WeakPolarHBondContact O-CB 3.16Å; M364-A368 PolarHBondContact O-N 3.39Å; T365-A368 WeakPolarHBondContact O-CB 3.36Å; T365-A368 PolarHBondContact O-N 3.4Å; T365-A368 VanDerWaalsContact O-N 3.14Å; R366-A368 VanDerWaalsContact C-N 3.34Å; A368-L370 VanDerWaalsContact C-N 3.32Å; A368-L370 PolarHBondContact O-N 3.45Å; A368-I371 PolarHBondContact O-N 3.04Å; A368-N372 WeakPolarHBondContact O-CB 3.4Å; A368-N372 PolarHBondContact O-N 3.1Å; A368-M414 HydrophobicContact CB-CB 4.07Å; A368-M414 HydrophobicContact CB-CE 4.04Å; A368-M414 HydrophobicContact CB-CG 3.75Å; A368-V417 HydrophobicContact CB-CG2 3.59Å; A368-L418 HydrophobicContact CB-CD1 3.88Å; A368-L418 HydrophobicContact CB-CD2 4.23Å; A368-L418 HydrophobicContact CB-CG 3.9Å; A368-L418 WeakPolarHBondContact O-CD2 3.42Å
369	E	98.4	Very high	97.5	Very high	9 Å²	9	26.9 Å²	26.9	4%	0.042	13%	0.131	C	C	.	.	H	α-helix	trans	-63.7	-37.6	173.2	-175.4	173	180	0	0	111.8	F212 K213 K214 S215 T365 R366 I371 N372 N373 V417	F212-E369 VanDerWaalsContact C-OE2 3.26Å; F212-E369 WeakPolarHBondContact CA-OE2 3.44Å; F212-E369 WeakPolarHBondContact CB-OE2 3.27Å; F212-E369 HydrophobicContact CD1-CB 4.12Å; F212-E369 HydrophobicContact CD1-CG 4.16Å; K213-E369 PolarHBondContact N-OE1 2.87Å; K214-E369 PolarHBondContact N-OE1 2.95Å; S215-E369 VanDerWaalsContact CB-OE2 3.23Å; S215-E369 WeakPolarHBondContact CB-OE2 3.28Å; S215-E369 PolarHBondContact N-OE2 2.82Å; S215-E369 PolarHBondContact OG-OE2 3.45Å; T365-E369 PolarHBondContact O-N 2.96Å; R366-E369 PolarHBondContact O-N 2.77Å; E369-I371 PolarHBondContact O-N 3.36Å; E369-N372 PolarHBondContact O-N 3.26Å; E369-N373 WeakPolarHBondContact O-CB 3.2Å; E369-N373 PolarHBondContact O-N 3.09Å; E369-N373 PolarHBondContact O-ND2 2.84Å; E369-V417 HydrophobicContact CB-CB 3.99Å; E369-V417 HydrophobicContact CB-CG1 4.35Å; E369-V417 HydrophobicContact CB-CG2 4.09Å
370	L	98.4	Very high	97.7	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-60.1	-45.1	173.6	-172.6	66.4	0	0	0	111.9	L201 L205 F212 L332 L333 W340 R366 C367 A368 N373 Y374	L201-L370 HydrophobicContact CD1-CD1 4.46Å; L205-L370 HydrophobicContact CD1-CD1 4.49Å; L205-L370 HydrophobicContact CD1-CD2 4.5Å; L205-L370 HydrophobicContact CD2-CD1 3.78Å; L205-L370 HydrophobicContact CD2-CD2 4.09Å; F212-L370 HydrophobicContact CE1-CB 3.92Å; F212-L370 HydrophobicContact CE1-CD1 4.19Å; F212-L370 HydrophobicContact CZ-CD1 4.28Å; L332-L370 HydrophobicContact CB-CD2 4.39Å; L333-L370 HydrophobicContact CD2-CD2 4.08Å; W340-L370 HydrophobicContact CH2-CD2 4.4Å; W340-L370 HydrophobicContact CH2-CG 4.19Å; W340-L370 HydrophobicContact CZ2-CD1 4.32Å; W340-L370 HydrophobicContact CZ2-CD2 3.71Å; W340-L370 HydrophobicContact CZ2-CG 3.98Å; R366-L370 WeakPolarHBondContact O-CB 3.1Å; R366-L370 PolarHBondContact O-N 3.33Å; C367-L370 WeakPolarHBondContact O-CB 3.1Å; C367-L370 PolarHBondContact O-N 3.03Å; A368-L370 VanDerWaalsContact C-N 3.32Å; A368-L370 PolarHBondContact O-N 3.45Å; L370-N373 PolarHBondContact O-N 3.35Å; L370-Y374 HydrophobicContact CD1-CD2 3.72Å; L370-Y374 HydrophobicContact CD1-CE2 4Å; L370-Y374 WeakPolarHBondContact O-CD2 3.23Å; L370-Y374 PolarHBondContact O-N 2.88Å
371	I	98.3	Very high	97.8	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.01	11%	0.107	C	C	.	.	H	α-helix	trans	-64.3	-47.4	177.4	-72.4	166.4	0	0	0	109.6	L343 V354 V356 C367 A368 E369 N373 Y374 T375 V377 V380	L343-I371 HydrophobicContact CD2-CG1 4.24Å; V354-I371 HydrophobicContact CG2-CD1 4.04Å; V354-I371 HydrophobicContact CG2-CG2 3.87Å; V356-I371 HydrophobicContact CG1-CD1 3.5Å; C367-I371 WeakPolarHBondContact O-CG1 3.32Å; C367-I371 PolarHBondContact O-N 3.38Å; A368-I371 PolarHBondContact O-N 3.04Å; E369-I371 PolarHBondContact O-N 3.36Å; I371-N373 VanDerWaalsContact C-N 3.26Å; I371-N373 PolarHBondContact O-N 2.96Å; I371-Y374 PolarHBondContact O-N 2.84Å; I371-T375 WeakPolarHBondContact CG2-OG1 3.2Å; I371-T375 WeakPolarHBondContact O-CB 3.43Å; I371-T375 PolarHBondContact O-N 3.22Å; I371-T375 PolarHBondContact O-OG1 3.35Å; I371-V377 HydrophobicContact CG2-CG2 3.95Å; I371-V380 HydrophobicContact CG2-CG2 3.83Å
372	N	97.4	Very high	97.8	Very high	31 Å²	31	21.2 Å²	21.2	17%	0.166	10%	0.104	C	C	.	.	H	α-helix	trans	-54.6	-42.9	178.8	-159.5	75.2	0	0	0	112.5	A368 E369 L418 D419	A368-N372 WeakPolarHBondContact O-CB 3.4Å; A368-N372 PolarHBondContact O-N 3.1Å; E369-N372 PolarHBondContact O-N 3.26Å; N372-L418 HydrophobicContact CB-CD2 4.04Å; N372-L418 WeakPolarHBondContact OD1-CA 3.45Å; N372-D419 PolarHBondContact ND2-OD2 3.05Å; N372-D419 PolarHBondContact OD1-N 3.01Å; N372-D419 PolarHBondContact OD1-OD2 3.17Å
373	N	96.6	Very high	97.9	Very high	79 Å²	79	19.2 Å²	19.2	42%	0.422	9%	0.093	S	C	.	.	H	α-helix	trans	-83.6	-23.6	-171.5	-66.8	-13.8	0	0	0	113.9	E369 L370 I371	E369-N373 WeakPolarHBondContact O-CB 3.2Å; E369-N373 PolarHBondContact O-N 3.09Å; E369-N373 PolarHBondContact O-ND2 2.84Å; L370-N373 PolarHBondContact O-N 3.35Å; I371-N373 VanDerWaalsContact C-N 3.26Å; I371-N373 PolarHBondContact O-N 2.96Å
374	Y	97.1	Very high	97.8	Very high	79 Å²	79	18.3 Å²	18.3	31%	0.31	9%	0.087	S	C	.	.	H	α-helix	trans	-131.2	6	-167.4	-61.3	-76.2	0	0	0	114.5	L201 R204 V210 L370 I371	L201-Y374 HydrophobicContact CD1-CD1 4.16Å; L201-Y374 HydrophobicContact CD1-CD2 4.08Å; L201-Y374 HydrophobicContact CD1-CE1 3.86Å; L201-Y374 HydrophobicContact CD1-CE2 3.79Å; L201-Y374 HydrophobicContact CD1-CG 4.25Å; L201-Y374 HydrophobicContact CD2-CD1 3.6Å; L201-Y374 HydrophobicContact CD2-CD2 3.97Å; L201-Y374 HydrophobicContact CD2-CE1 4.15Å; L201-Y374 HydrophobicContact CD2-CE2 4.5Å; L201-Y374 HydrophobicContact CD2-CG 3.48Å; L201-Y374 VanDerWaalsContact CD2-CG 3.48Å; L201-Y374 HydrophobicContact CG-CD1 4.42Å; R204-Y374 PolarHBondContact NH1-OH 3.13Å; R204-Y374 VanDerWaalsContact NH1-OH 3.09Å; V210-Y374 HydrophobicContact CG1-CE2 4.47Å; L370-Y374 HydrophobicContact CD1-CD2 3.72Å; L370-Y374 HydrophobicContact CD1-CE2 4Å; L370-Y374 WeakPolarHBondContact O-CD2 3.23Å; L370-Y374 PolarHBondContact O-N 2.88Å; I371-Y374 PolarHBondContact O-N 2.84Å
375	T	97.3	Very high	97.6	Very high	20 Å²	20	18.6 Å²	18.6	12%	0.123	9%	0.09	C	C	.	.			trans	-138.3	149.6	178.3	69.1	0	0	0	0	112.4	N195 W340 L343 I371	N195-T375 HydrophobicContact CB-CG2 4.12Å; N195-T375 WeakPolarHBondContact OD1-CA 3.46Å; W340-T375 HydrophobicContact CZ3-CG2 4.03Å; L343-T375 HydrophobicContact CD2-CG2 4.19Å; I371-T375 WeakPolarHBondContact CG2-OG1 3.2Å; I371-T375 WeakPolarHBondContact O-CB 3.43Å; I371-T375 PolarHBondContact O-N 3.22Å; I371-T375 PolarHBondContact O-OG1 3.35Å
376	D	95.9	Very high	97.2	Very high	53 Å²	53	19.1 Å²	19.1	28%	0.283	9%	0.094	S	C	.	.			trans	-96.9	108.2	170	178.4	-0.1	0	0	0	108.7	K194 N195 R345	K194-D376 HydrophobicContact CD-CB 4.05Å; K194-D376 WeakPolarHBondContact CD-OD2 3.41Å; K194-D376 WeakPolarHBondContact CE-OD2 3.2Å; K194-D376 IonicContact NZ-OD2 3.43Å; K194-D376 PolarHBondContact NZ-OD2 2.97Å; N195-D376 PolarHBondContact ND2-O 3.48Å; N195-D376 PolarHBondContact OD1-N 3.47Å; R345-D376 IonicContact NH1-OD1 3.99Å; R345-D376 PolarHBondContact NH1-OD1 2.99Å
377	V	97.1	Very high	96.7	Very high	9 Å²	9	16.1 Å²	16.1	6%	0.055	9%	0.085	C	C	.	.			trans	-139.3	154.2	-179.7	-62.5	0	0	0	0	109.4	F352 V354 I371 V380 V420	F352-V377 HydrophobicContact CD1-CG1 4.27Å; F352-V377 HydrophobicContact CE1-CG1 4.17Å; V354-V377 HydrophobicContact CB-CG1 4.34Å; V354-V377 HydrophobicContact CG1-CG1 3.56Å; V354-V377 HydrophobicContact CG2-CB 4.5Å; V354-V377 HydrophobicContact CG2-CG1 3.89Å; I371-V377 HydrophobicContact CG2-CG2 3.95Å; V377-V380 HydrophobicContact CG2-CG2 4.21Å; V377-V420 HydrophobicContact CG2-CG2 4.12Å; V377-V420 WeakPolarHBondContact O-CG1 3.27Å
378	D	97.8	Very high	96.2	Very high	4 Å²	4	19 Å²	19	2%	0.021	10%	0.1	C	C	.	.	S	Bend	trans	-96.3	-21.9	177.6	-54.9	-51.7	0	0	0	112.3	K289 V291 R345 L351 F352 P421	K289-D378 WeakPolarHBondContact CE-OD1 3.35Å; K289-D378 IonicContact NZ-OD1 3.81Å; K289-D378 PolarHBondContact NZ-OD1 3.34Å; V291-D378 HydrophobicContact CG2-CB 4.42Å; V291-D378 WeakPolarHBondContact CG2-O 3.25Å; R345-D378 IonicContact CZ-OD1 3.73Å; R345-D378 IonicContact CZ-OD2 2.57Å; R345-D378 VanDerWaalsContact CZ-OD2 3.23Å; R345-D378 IonicContact NH1-OD1 2.78Å; R345-D378 PolarHBondContact NH1-OD1 3.24Å; R345-D378 IonicContact NH1-OD2 3.72Å; R345-D378 PolarHBondContact NH1-OD2 2.9Å; R345-D378 VanDerWaalsContact NH1-OD2 3.07Å; R345-D378 IonicContact NH2-OD1 3.1Å; R345-D378 IonicContact NH2-OD2 3.94Å; R345-D378 PolarHBondContact NH2-OD2 3.33Å; L351-D378 VanDerWaalsContact CA-OD2 3.31Å; L351-D378 WeakPolarHBondContact CA-OD2 3.17Å; L351-D378 HydrophobicContact CD1-CB 3.59Å; L351-D378 HydrophobicContact CG-CB 4.4Å; F352-D378 PolarHBondContact N-OD2 3.32Å; F352-D378 WeakPolarHBondContact O-CB 3.48Å; F352-D378 PolarHBondContact O-N 3.48Å; D378-P421 WeakPolarHBondContact O-CD 3.45Å
379	F	98.3	Very high	95.6	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	161.7	174.3	64.3	-85.2	0	0	0	111	F293 Y298 I321 L351 G353 V354 D381 P421 T423	F293-F379 HydrophobicContact CE1-CD1 4.43Å; Y298-F379 HydrophobicContact CE1-CZ 4.37Å; Y298-F379 HydrophobicContact CE2-CZ 4.33Å; Y298-F379 AromaticContact CZ-CZ 3.84Å; Y298-F379 WeakPolarHBondContact OH-CE2 3.5Å; I321-F379 HydrophobicContact CG2-CE1 3.59Å; I321-F379 HydrophobicContact CG2-CZ 3.68Å; L351-F379 HydrophobicContact CG-CE1 4.42Å; G353-F379 VanDerWaalsContact CA-CZ 3.45Å; G353-F379 VanDerWaalsContact CA-O 3.29Å; G353-F379 WeakPolarHBondContact CA-O 3.36Å; G353-F379 VanDerWaalsContact N-CE1 3.34Å; V354-F379 PolarHBondContact N-O 3.06Å; F379-D381 HydrophobicContact CD2-CB 4.38Å; F379-D381 HydrophobicContact CE2-CB 4.21Å; F379-P421 WeakPolarHBondContact CA-O 3.32Å; F379-P421 HydrophobicContact CB-CG 3.94Å; F379-P421 WeakPolarHBondContact CB-O 3.32Å; F379-T423 HydrophobicContact CB-CG2 4.25Å; F379-T423 HydrophobicContact CD2-CG2 3.88Å; F379-T423 WeakPolarHBondContact CD2-OG1 3.49Å; F379-T423 HydrophobicContact CG-CG2 4.31Å
380	V	98.6	Very high	95	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	123.3	172.2	-178.7	0	0	0	0	109.4	V354 V356 I371 V377 M414 L418 V420 P421 V422 T423	V354-V380 HydrophobicContact CG2-CB 4.48Å; V354-V380 HydrophobicContact CG2-CG1 4.29Å; V354-V380 HydrophobicContact CG2-CG2 3.98Å; V356-V380 HydrophobicContact CG1-CG1 4.45Å; V356-V380 HydrophobicContact CG2-CG1 3.86Å; I371-V380 HydrophobicContact CG2-CG2 3.83Å; V377-V380 HydrophobicContact CG2-CG2 4.21Å; V380-M414 HydrophobicContact CB-CE 4.38Å; V380-M414 HydrophobicContact CG1-CE 3.5Å; V380-L418 HydrophobicContact CB-CD1 3.82Å; V380-L418 HydrophobicContact CG1-CD1 4.34Å; V380-L418 HydrophobicContact CG2-CD1 3.83Å; V380-L418 HydrophobicContact CG2-CD2 3.72Å; V380-L418 HydrophobicContact CG2-CG 4.47Å; V380-V420 HydrophobicContact CG2-CG2 3.99Å; V380-P421 PolarHBondContact N-O 2.64Å; V380-V422 WeakPolarHBondContact O-CA 3.27Å; V380-T423 PolarHBondContact O-N 2.72Å
381	D	98.6	Very high	94.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	131.6	-178	-171.4	70.7	0	0	0	111.5	V354 Q355 V356 F379 T423 V424	V354-D381 PolarHBondContact O-N 3.48Å; Q355-D381 CarbonylContact C-O 3.53Å; Q355-D381 VanDerWaalsContact CA-O 3.29Å; Q355-D381 WeakPolarHBondContact CA-O 3.31Å; Q355-D381 HydrophobicContact CB-CB 4.19Å; Q355-D381 HydrophobicContact CG-CB 4.3Å; Q355-D381 WeakPolarHBondContact CG-OD2 3.34Å; Q355-D381 PolarHBondContact NE2-OD2 3Å; V356-D381 WeakPolarHBondContact CG2-O 3.27Å; V356-D381 PolarHBondContact N-O 2.74Å; F379-D381 HydrophobicContact CD2-CB 4.38Å; F379-D381 HydrophobicContact CE2-CB 4.21Å; D381-T423 CarbonylContact C-O 3.52Å; D381-T423 WeakPolarHBondContact CA-O 3.37Å; D381-T423 WeakPolarHBondContact CA-OG1 3.36Å; D381-T423 VanDerWaalsContact CB-OG1 3.27Å; D381-T423 WeakPolarHBondContact CB-OG1 3.45Å; D381-T423 PolarHBondContact OD1-OG1 2.9Å; D381-V424 PolarHBondContact OD1-N 3.05Å
382	I	98.6	Very high	94.2	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	121.6	173.7	-59.5	168.8	0	0	0	109	M364 S384 L400 F407 I410 I411 M414 V422 T423 V424 K425	M364-I382 HydrophobicContact CE-CG1 4.11Å; M364-I382 HydrophobicContact CE-CG2 4.01Å; I382-S384 PolarHBondContact O-N 2.83Å; I382-L400 HydrophobicContact CG2-CD2 4.33Å; I382-F407 HydrophobicContact CG2-CE2 4.19Å; I382-I410 HydrophobicContact CD1-CG2 3.98Å; I382-I411 HydrophobicContact CD1-CG1 3.63Å; I382-M414 HydrophobicContact CD1-CE 4.28Å; I382-M414 HydrophobicContact CD1-SD 3.53Å; I382-M414 VanDerWaalsContact CD1-SD 3.53Å; I382-M414 HydrophobicContact CG1-CE 3.86Å; I382-M414 HydrophobicContact CG1-SD 3.62Å; I382-V422 HydrophobicContact CD1-CG1 3.68Å; I382-V422 HydrophobicContact CG1-CG1 4.14Å; I382-T423 PolarHBondContact N-O 2.95Å; I382-V424 HydrophobicContact CB-CG2 4.32Å; I382-V424 HydrophobicContact CD1-CG2 4.26Å; I382-K425 PolarHBondContact O-N 2.91Å
383	N	97.8	Very high	93.9	Very high	12 Å²	12	38.6 Å²	38.6	6%	0.064	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	107.5	169.2	-166.3	-47.5	0	0	0	110.7	M326 Q355 V356 E357 G385 C386	M326-N383 HydrophobicContact CG-CB 4.19Å; M326-N383 HydrophobicContact SD-CB 4.47Å; Q355-N383 HydrophobicContact CG-CB 3.83Å; Q355-N383 PolarHBondContact OE1-ND2 3.09Å; V356-N383 PolarHBondContact O-N 3.34Å; E357-N383 HydrophobicContact CB-CB 4.35Å; E357-N383 WeakPolarHBondContact OE2-CB 3.28Å; E357-N383 PolarHBondContact OE2-OD1 3.47Å; N383-G385 PolarHBondContact OD1-N 3.25Å; N383-C386 VanDerWaalsContact OD1-CB 3.23Å; N383-C386 WeakPolarHBondContact OD1-CB 3.34Å; N383-C386 PolarHBondContact OD1-N 3.32Å
384	S	96.1	Very high	93.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	25.3	170.2	-67.8	0	0	0	0	111.1	I382 G397 C398 F407 K425	I382-S384 PolarHBondContact O-N 2.83Å; S384-G397 VanDerWaalsContact C-C 3.4Å; S384-G397 CarbonylContact C-O 3.56Å; S384-G397 WeakPolarHBondContact CA-O 3.47Å; S384-C398 WeakPolarHBondContact O-CA 3.29Å; S384-F407 WeakPolarHBondContact OG-CE2 3.49Å; S384-F407 WeakPolarHBondContact OG-CZ 3.43Å; S384-K425 CarbonylContact C-O 3.52Å; S384-K425 VanDerWaalsContact CA-O 3.28Å; S384-K425 WeakPolarHBondContact CA-O 3.35Å; S384-K425 PolarHBondContact N-O 3.19Å
385	G	92.4	Very high	93.3	Very high	7 Å²	7	37.9 Å²	37.9	7%	0.072	19%	0.189	C	C	.	.			trans	-130.2	-11.2	-172.7	0	0	0	0	0	114.5	N383 P387 K425 R427	N383-G385 PolarHBondContact OD1-N 3.25Å; G385-P387 WeakPolarHBondContact O-CD 3.45Å; G385-K425 PolarHBondContact N-O 2.98Å; G385-R427 VanDerWaalsContact O-CD 3.28Å; G385-R427 WeakPolarHBondContact O-CD 3.36Å; G385-R427 PolarHBondContact O-NE 3.48Å
386	C	91.2	Very high	93.1	Very high	12 Å²	12	37 Å²	37	8%	0.081	18%	0.184	C	C	.	.			trans	-62.5	123.6	-179.4	-174.1	0	0	0	0	110.1	M326 N383 I388 C398	M326-C386 HydrophobicContact SD-CB 4Å; N383-C386 VanDerWaalsContact OD1-CB 3.23Å; N383-C386 WeakPolarHBondContact OD1-CB 3.34Å; N383-C386 PolarHBondContact OD1-N 3.32Å; C386-I388 VanDerWaalsContact SG-CG1 3.58Å; C386-C398 PolarHBondContact O-N 2.72Å; C386-C398 VanDerWaalsContact O-N 3.15Å; C386-C398 PolarHBondContact O-SG 2.83Å
387	P	88.2	Confident	92.9	Very high	18 Å²	18	34.5 Å²	34.5	12%	0.117	17%	0.171	C	C	.	.			trans	-92.7	2.3	-177.7	38.2	-36.7	0	0	0	112.8	G385 D389 R459 R462	G385-P387 WeakPolarHBondContact O-CD 3.45Å; P387-D389 PolarHBondContact O-N 3.03Å; P387-R459 HydrophobicContact CB-CB 4.39Å; P387-R459 HydrophobicContact CB-CG 3.53Å; P387-R459 PolarHBondContact O-NE 3.3Å; P387-R462 VanDerWaalsContact C-NH1 3.26Å; P387-R462 VanDerWaalsContact CG-NH1 3.28Å; P387-R462 PolarHBondContact O-NH1 3.42Å; P387-R462 PolarHBondContact O-NH2 3.47Å
388	I	87.3	Confident	92.6	Very high	60 Å²	60	34 Å²	34	31%	0.308	17%	0.168	S	C	.	.			trans	-60.4	128.7	-176.1	-66.7	175.1	0	0	0	110.1	C386 L390 V391 Y392	C386-I388 VanDerWaalsContact SG-CG1 3.58Å; I388-L390 VanDerWaalsContact C-N 3.29Å; I388-L390 HydrophobicContact CG2-CB 4.18Å; I388-L390 PolarHBondContact O-N 3.28Å; I388-V391 HydrophobicContact CB-CB 4.38Å; I388-V391 HydrophobicContact CB-CG2 4.16Å; I388-V391 HydrophobicContact CG2-CG2 4.21Å; I388-V391 PolarHBondContact O-N 3.41Å; I388-Y392 PolarHBondContact O-N 3.22Å
389	D	86	Confident	92.4	Very high	74 Å²	74	34 Å²	34	40%	0.396	17%	0.169	S	C	.	.	H	α-helix	trans	-63.4	-34.8	-171.8	-62.5	-20.2	0	0	0	113	P387 V391 Y392 K393 R459 R462	P387-D389 PolarHBondContact O-N 3.03Å; D389-V391 VanDerWaalsContact C-N 3.31Å; D389-V391 PolarHBondContact O-N 3.43Å; D389-Y392 PolarHBondContact O-N 3.06Å; D389-K393 VanDerWaalsContact O-CB 3.29Å; D389-K393 WeakPolarHBondContact O-CB 3.37Å; D389-K393 VanDerWaalsContact O-CG 3.22Å; D389-K393 WeakPolarHBondContact O-CG 3.47Å; D389-K393 PolarHBondContact O-N 3.46Å; D389-R459 IonicContact OD1-CZ 3.44Å; D389-R459 IonicContact OD1-NH2 2.64Å; D389-R459 PolarHBondContact OD1-NH2 3.19Å; D389-R462 IonicContact OD1-NH2 2.71Å; D389-R462 PolarHBondContact OD1-NH2 3.27Å
390	L	86.9	Confident	92.3	Very high	118 Å²	118	34 Å²	34	62%	0.618	17%	0.169	S	C	*	.	H	α-helix	trans	-62.5	-38.7	175.8	-177.2	64.5	0	0	0	112.1	I388 K394	I388-L390 VanDerWaalsContact C-N 3.29Å; I388-L390 HydrophobicContact CG2-CB 4.18Å; I388-L390 PolarHBondContact O-N 3.28Å; L390-K394 WeakPolarHBondContact O-CG 3.4Å
391	V	88.1	Confident	92.1	Very high	15 Å²	15	34 Å²	34	9%	0.091	17%	0.169	C	C	.	.	H	α-helix	trans	-73.8	-47.6	178.7	176	0	0	0	0	109.8	E357 I388 D389 K393 K394 G395 G396	E357-V391 VanDerWaalsContact CD-CG1 3.41Å; E357-V391 HydrophobicContact CG-CG1 3.93Å; E357-V391 WeakPolarHBondContact OE1-CG1 3.46Å; I388-V391 HydrophobicContact CB-CB 4.38Å; I388-V391 HydrophobicContact CB-CG2 4.16Å; I388-V391 HydrophobicContact CG2-CG2 4.21Å; I388-V391 PolarHBondContact O-N 3.41Å; D389-V391 VanDerWaalsContact C-N 3.31Å; D389-V391 PolarHBondContact O-N 3.43Å; V391-K393 PolarHBondContact O-N 3.18Å; V391-K394 PolarHBondContact O-N 3.39Å; V391-K394 VanDerWaalsContact O-N 3.15Å; V391-G395 PolarHBondContact O-N 3.42Å; V391-G396 PolarHBondContact O-N 2.99Å; V391-G396 VanDerWaalsContact O-N 3.1Å
392	Y	91	Very high	91.8	Very high	74 Å²	74	38 Å²	38	29%	0.29	19%	0.193	S	C	.	.	H	α-helix	trans	-58.4	-45.2	177.9	176.3	-92.5	0	0	0	112.9	I388 D389 K394 G395 V430 R459	I388-Y392 PolarHBondContact O-N 3.22Å; D389-Y392 PolarHBondContact O-N 3.06Å; Y392-K394 PolarHBondContact O-N 3.07Å; Y392-G395 WeakPolarHBondContact O-CA 3.28Å; Y392-G395 PolarHBondContact O-N 3.18Å; Y392-V430 HydrophobicContact CE2-CG1 4.03Å; Y392-V430 HydrophobicContact CE2-CG2 4.16Å; Y392-R459 VanDerWaalsContact CD1-CZ 3.47Å
393	K	90.5	Very high	91.6	Very high	176 Å²	176	41.4 Å²	41.4	77%	0.765	21%	0.206	S	C	*	.	H	α-helix	trans	-62.6	-26.2	-179.9	-76.9	179	179.2	-170.6	0	112.8	D389 V391 G395	D389-K393 VanDerWaalsContact O-CB 3.29Å; D389-K393 WeakPolarHBondContact O-CB 3.37Å; D389-K393 VanDerWaalsContact O-CG 3.22Å; D389-K393 WeakPolarHBondContact O-CG 3.47Å; D389-K393 PolarHBondContact O-N 3.46Å; V391-K393 PolarHBondContact O-N 3.18Å; K393-G395 PolarHBondContact O-N 3.29Å
394	K	90.9	Very high	91.4	Very high	131 Å²	131	43.9 Å²	43.9	57%	0.57	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-2	172.3	-65.8	-178.9	179.5	-173.3	0	112.9	C359 L390 V391 Y392	C359-K394 PolarHBondContact SG-O 3.46Å; L390-K394 WeakPolarHBondContact O-CG 3.4Å; V391-K394 PolarHBondContact O-N 3.39Å; V391-K394 VanDerWaalsContact O-N 3.15Å; Y392-K394 PolarHBondContact O-N 3.07Å
395	G	91.6	Very high	91.4	Very high	11 Å²	11	50.9 Å²	50.9	11%	0.113	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.8	20.1	-176.9	0	0	0	0	0	114.2	C359 V391 Y392 K393 R403	C359-G395 VanDerWaalsContact CB-C 3.46Å; C359-G395 VanDerWaalsContact CB-O 3.22Å; C359-G395 WeakPolarHBondContact CB-O 3.14Å; V391-G395 PolarHBondContact O-N 3.42Å; Y392-G395 WeakPolarHBondContact O-CA 3.28Å; Y392-G395 PolarHBondContact O-N 3.18Å; K393-G395 PolarHBondContact O-N 3.29Å; G395-R403 PolarHBondContact O-NH1 2.69Å
396	G	91.6	Very high	91.6	Very high	2 Å²	2	53.6 Å²	53.6	2%	0.021	26%	0.258	C	S	.	.			trans	-98.9	-175.9	172.2	0	0	0	0	0	112.7	E357 V391 C398 G399	E357-G396 WeakPolarHBondContact OE1-CA 3.3Å; V391-G396 PolarHBondContact O-N 2.99Å; V391-G396 VanDerWaalsContact O-N 3.1Å; G396-C398 PolarHBondContact O-N 3.32Å; G396-G399 WeakPolarHBondContact O-CA 3.39Å; G396-G399 PolarHBondContact O-N 3.35Å
397	G	92.2	Very high	91.9	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	54.2	-135.4	-177.5	0	0	0	0	0	111.1	E357 S384 G399 L400	E357-G397 PolarHBondContact OE1-N 3.38Å; E357-G397 WeakPolarHBondContact OE2-CA 3.33Å; E357-G397 PolarHBondContact OE2-N 3.24Å; S384-G397 VanDerWaalsContact C-C 3.4Å; S384-G397 CarbonylContact C-O 3.56Å; S384-G397 WeakPolarHBondContact CA-O 3.47Å; G397-G399 PolarHBondContact O-N 3.03Å; G397-L400 VanDerWaalsContact O-CB 3.32Å; G397-L400 WeakPolarHBondContact O-CB 3.41Å; G397-L400 PolarHBondContact O-N 2.76Å
398	C	91.7	Very high	92.3	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-61.1	-16.5	175.7	59.1	0	0	0	0	114.6	S384 C386 G396 L400 M401 R459	S384-C398 WeakPolarHBondContact O-CA 3.29Å; C386-C398 PolarHBondContact O-N 2.72Å; C386-C398 VanDerWaalsContact O-N 3.15Å; C386-C398 PolarHBondContact O-SG 2.83Å; G396-C398 PolarHBondContact O-N 3.32Å; C398-L400 VanDerWaalsContact C-N 3.27Å; C398-M401 WeakPolarHBondContact O-CB 3.48Å; C398-M401 PolarHBondContact O-N 2.93Å; C398-R459 HydrophobicContact CB-CB 4.41Å; C398-R459 WeakPolarHBondContact SG-CD 3.19Å; C398-R459 WeakPolarHBondContact SG-CG 3.19Å
399	G	93.4	Very high	92.8	Very high	3 Å²	3	54.1 Å²	54.1	3%	0.031	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-72.5	-19.4	172.8	0	0	0	0	0	113.2	G396 G397 M401 T402	G396-G399 WeakPolarHBondContact O-CA 3.39Å; G396-G399 PolarHBondContact O-N 3.35Å; G397-G399 PolarHBondContact O-N 3.03Å; G399-M401 VanDerWaalsContact C-N 3.29Å; G399-T402 PolarHBondContact O-OG1 2.77Å
400	L	95.3	Very high	93.4	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-69.5	-31	174.7	-176.6	54.5	0	0	0	111.5	I382 G397 C398 T402 R403 F407 I410	I382-L400 HydrophobicContact CG2-CD2 4.33Å; G397-L400 VanDerWaalsContact O-CB 3.32Å; G397-L400 WeakPolarHBondContact O-CB 3.41Å; G397-L400 PolarHBondContact O-N 2.76Å; C398-L400 VanDerWaalsContact C-N 3.27Å; L400-T402 PolarHBondContact O-N 2.98Å; L400-R403 PolarHBondContact O-N 3.48Å; L400-F407 HydrophobicContact CD1-CB 4.07Å; L400-F407 HydrophobicContact CD1-CG 4.37Å; L400-F407 HydrophobicContact CD2-CD2 3.74Å; L400-F407 HydrophobicContact CD2-CE2 3.95Å; L400-F407 HydrophobicContact CD2-CG 4.29Å; L400-F407 HydrophobicContact CG-CB 4.13Å; L400-F407 HydrophobicContact CG-CD1 4.37Å; L400-F407 HydrophobicContact CG-CD2 3.88Å; L400-F407 HydrophobicContact CG-CE2 4.34Å; L400-F407 HydrophobicContact CG-CG 3.89Å; L400-I410 HydrophobicContact CD1-CD1 3.88Å; L400-I410 HydrophobicContact CD2-CD1 4.06Å
401	M	94.4	Very high	93.9	Very high	1 Å²	1	45 Å²	45	1%	0.005	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-61.4	-26.9	179.1	-63.5	-177.2	68.2	0	0	113.4	C398 G399 R403 I426 R427 I436 A437 L440	C398-M401 WeakPolarHBondContact O-CB 3.48Å; C398-M401 PolarHBondContact O-N 2.93Å; G399-M401 VanDerWaalsContact C-N 3.29Å; M401-R403 VanDerWaalsContact C-N 3.28Å; M401-I426 HydrophobicContact CE-CB 3.93Å; M401-I426 HydrophobicContact CE-CD1 4.31Å; M401-I426 HydrophobicContact CE-CG2 4.09Å; M401-I426 HydrophobicContact CG-CG2 4.07Å; M401-I426 HydrophobicContact SD-CB 3.88Å; M401-I426 HydrophobicContact SD-CG2 3.96Å; M401-R427 VanDerWaalsContact CE-O 3.23Å; M401-R427 WeakPolarHBondContact CE-O 3.45Å; M401-I436 HydrophobicContact CB-CD1 3.89Å; M401-I436 HydrophobicContact CE-CD1 4.24Å; M401-I436 HydrophobicContact CE-CG1 4.01Å; M401-A437 HydrophobicContact CE-CB 4.3Å; M401-L440 HydrophobicContact CB-CD1 3.89Å; M401-L440 HydrophobicContact CE-CD1 3.82Å; M401-L440 HydrophobicContact CG-CD1 4.34Å; M401-L440 WeakPolarHBondContact O-CD1 3.31Å
402	T	93.1	Very high	94.3	Very high	83 Å²	83	48.3 Å²	48.3	51%	0.509	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-86.6	-1.4	178.1	62.9	0	0	0	0	112.8	G399 L400 V430 I436	G399-T402 PolarHBondContact O-OG1 2.77Å; L400-T402 PolarHBondContact O-N 2.98Å; T402-V430 HydrophobicContact CG2-CG2 3.83Å; T402-I436 HydrophobicContact CG2-CD1 4.27Å
403	R	94.5	Very high	94.6	Very high	72 Å²	72	44.8 Å²	44.8	27%	0.272	21%	0.207	S	C	.	.			trans	-116.4	54.6	-176.1	-56.6	174.9	79	-169.9	15.3	110.2	C359 G395 L400 M401 R405 K406 F407	C359-R403 PolarHBondContact O-NH1 2.66Å; G395-R403 PolarHBondContact O-NH1 2.69Å; L400-R403 PolarHBondContact O-N 3.48Å; M401-R403 VanDerWaalsContact C-N 3.28Å; R403-R405 VanDerWaalsContact C-N 3.33Å; R403-R405 PolarHBondContact O-N 3.09Å; R403-R405 VanDerWaalsContact O-N 3.14Å; R403-K406 HydrophobicContact CB-CB 4.31Å; R403-K406 PolarHBondContact O-N 2.88Å; R403-F407 PolarHBondContact O-N 3.17Å
404	T	94.1	Very high	95	Very high	64 Å²	64	36.4 Å²	36.4	39%	0.393	17%	0.171	S	C	.	.	H	α-helix	trans	-43.6	-51.1	-170.7	-48.6	0	0	0	0	113.7	K406 F407 E408 L440 W447	T404-K406 PolarHBondContact O-N 2.89Å; T404-F407 WeakPolarHBondContact O-CB 3.49Å; T404-F407 PolarHBondContact O-N 2.88Å; T404-F407 VanDerWaalsContact O-N 3.1Å; T404-E408 PolarHBondContact O-N 3.41Å; T404-L440 HydrophobicContact CG2-CD2 3.93Å; T404-W447 HydrophobicContact CG2-CH2 3.76Å; T404-W447 HydrophobicContact CG2-CZ2 3.78Å
405	R	94.8	Very high	95.3	Very high	148 Å²	148	31.5 Å²	31.5	56%	0.558	15%	0.151	S	C	*	.	H	α-helix	trans	-59.4	-41.6	179.1	-175.6	176.1	178.7	177.9	1.1	113.2	R403 F407 Q409	R403-R405 VanDerWaalsContact C-N 3.33Å; R403-R405 PolarHBondContact O-N 3.09Å; R403-R405 VanDerWaalsContact O-N 3.14Å; R405-F407 VanDerWaalsContact C-N 3.34Å; R405-Q409 VanDerWaalsContact O-CG 3.24Å; R405-Q409 WeakPolarHBondContact O-CG 3.34Å; R405-Q409 PolarHBondContact O-N 3.12Å; R405-Q409 VanDerWaalsContact O-N 3.13Å
406	K	96.4	Very high	95.4	Very high	64 Å²	64	33.9 Å²	33.9	28%	0.278	16%	0.157	S	C	.	.	H	α-helix	trans	-71	-35.3	177.2	-69.1	-161.5	179	-164.8	0	111.4	R403 T404 Q409 I410	R403-K406 HydrophobicContact CB-CB 4.31Å; R403-K406 PolarHBondContact O-N 2.88Å; T404-K406 PolarHBondContact O-N 2.89Å; K406-Q409 PolarHBondContact O-N 2.96Å; K406-I410 WeakPolarHBondContact O-CB 3.36Å; K406-I410 WeakPolarHBondContact O-CD1 3.47Å; K406-I410 VanDerWaalsContact O-CG1 3.26Å; K406-I410 WeakPolarHBondContact O-CG1 3.24Å; K406-I410 PolarHBondContact O-N 2.78Å
407	F	97.3	Very high	95.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-65.9	-46.1	178.6	-163.9	-174.8	0	0	0	111.5	I382 S384 L400 R403 T404 R405 Q409 I410 I411 V424 I426 M444 W447	I382-F407 HydrophobicContact CG2-CE2 4.19Å; S384-F407 WeakPolarHBondContact OG-CE2 3.49Å; S384-F407 WeakPolarHBondContact OG-CZ 3.43Å; L400-F407 HydrophobicContact CD1-CB 4.07Å; L400-F407 HydrophobicContact CD1-CG 4.37Å; L400-F407 HydrophobicContact CD2-CD2 3.74Å; L400-F407 HydrophobicContact CD2-CE2 3.95Å; L400-F407 HydrophobicContact CD2-CG 4.29Å; L400-F407 HydrophobicContact CG-CB 4.13Å; L400-F407 HydrophobicContact CG-CD1 4.37Å; L400-F407 HydrophobicContact CG-CD2 3.88Å; L400-F407 HydrophobicContact CG-CE2 4.34Å; L400-F407 HydrophobicContact CG-CG 3.89Å; R403-F407 PolarHBondContact O-N 3.17Å; T404-F407 WeakPolarHBondContact O-CB 3.49Å; T404-F407 PolarHBondContact O-N 2.88Å; T404-F407 VanDerWaalsContact O-N 3.1Å; R405-F407 VanDerWaalsContact C-N 3.34Å; F407-Q409 PolarHBondContact O-N 2.98Å; F407-I410 WeakPolarHBondContact O-CB 3.37Å; F407-I410 PolarHBondContact O-N 3.45Å; F407-I411 HydrophobicContact CD2-CD1 3.63Å; F407-I411 HydrophobicContact CD2-CG1 4.06Å; F407-I411 HydrophobicContact CE2-CD1 3.5Å; F407-I411 VanDerWaalsContact CE2-CD1 3.5Å; F407-I411 HydrophobicContact CE2-CG1 4.02Å; F407-I411 HydrophobicContact CG-CD1 4.35Å; F407-I411 HydrophobicContact CZ-CD1 4.12Å; F407-I411 PolarHBondContact O-N 2.7Å; F407-V424 HydrophobicContact CE2-CG1 4.18Å; F407-V424 HydrophobicContact CZ-CG1 3.54Å; F407-I426 HydrophobicContact CE1-CG2 4.49Å; F407-M444 HydrophobicContact CD1-CE 4.19Å; F407-M444 HydrophobicContact CE1-CE 3.27Å; F407-M444 HydrophobicContact CZ-CE 3.59Å; F407-W447 HydrophobicContact CB-CZ3 4.37Å; F407-W447 HydrophobicContact CD1-CZ3 4.05Å; F407-W447 HydrophobicContact CG-CZ3 4.14Å
408	E	97.5	Very high	95.8	Very high	58 Å²	58	33.9 Å²	33.9	27%	0.271	16%	0.157	S	C	.	.	H	α-helix	trans	-54.1	-51.4	171.2	176.3	-175.2	-170.3	0	0	111.2	T404 I410 I411 K412 W447	T404-E408 PolarHBondContact O-N 3.41Å; E408-I410 VanDerWaalsContact C-N 3.27Å; E408-I410 PolarHBondContact O-N 3.03Å; E408-I411 PolarHBondContact O-N 3.31Å; E408-K412 HydrophobicContact CG-CD 3.97Å; E408-K412 HydrophobicContact CG-CG 4.47Å; E408-K412 WeakPolarHBondContact O-CB 3.45Å; E408-K412 PolarHBondContact O-N 3.15Å; E408-K412 WeakPolarHBondContact OE1-CE 3.25Å; E408-K412 IonicContact OE1-NZ 3.61Å; E408-K412 PolarHBondContact OE1-NZ 2.89Å; E408-W447 HydrophobicContact CB-CD2 3.92Å; E408-W447 HydrophobicContact CB-CE3 4.43Å; E408-W447 HydrophobicContact CB-CG 4.32Å; E408-W447 HydrophobicContact CB-CH2 4.4Å; E408-W447 HydrophobicContact CB-CZ2 3.91Å; E408-W447 HydrophobicContact CG-CD2 4.11Å; E408-W447 HydrophobicContact CG-CG 3.98Å
409	Q	97.6	Very high	96	Very high	42 Å²	42	36.8 Å²	36.8	20%	0.196	17%	0.172	C	C	.	.	H	α-helix	trans	-60.3	-35.5	179.5	-74.3	174	-22.8	0	0	112.8	Y218 L222 P361 R405 K406 F407 G413	Y218-Q409 PolarHBondContact OH-O 3.09Å; L222-Q409 HydrophobicContact CD1-CB 4.27Å; L222-Q409 HydrophobicContact CD1-CG 4.24Å; L222-Q409 HydrophobicContact CD2-CG 4.02Å; P361-Q409 HydrophobicContact CB-CB 4.07Å; P361-Q409 HydrophobicContact CG-CB 3.56Å; R405-Q409 VanDerWaalsContact O-CG 3.24Å; R405-Q409 WeakPolarHBondContact O-CG 3.34Å; R405-Q409 PolarHBondContact O-N 3.12Å; R405-Q409 VanDerWaalsContact O-N 3.13Å; K406-Q409 PolarHBondContact O-N 2.96Å; F407-Q409 PolarHBondContact O-N 2.98Å; Q409-G413 PolarHBondContact O-N 3.36Å
410	I	98.1	Very high	96.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-66.7	-51.3	175.2	-75.8	162.7	0	0	0	110.2	P361 M364 I382 L400 K406 F407 E408 K412 G413 M414	P361-I410 HydrophobicContact CB-CG1 4.29Å; P361-I410 HydrophobicContact CG-CG1 4.06Å; M364-I410 HydrophobicContact CB-CB 4.47Å; M364-I410 HydrophobicContact CB-CG1 4.11Å; M364-I410 HydrophobicContact CB-CG2 3.74Å; M364-I410 HydrophobicContact CE-CG2 3.93Å; M364-I410 HydrophobicContact CG-CD1 3.99Å; M364-I410 HydrophobicContact CG-CG1 3.94Å; M364-I410 HydrophobicContact CG-CG2 3.78Å; I382-I410 HydrophobicContact CD1-CG2 3.98Å; L400-I410 HydrophobicContact CD1-CD1 3.88Å; L400-I410 HydrophobicContact CD2-CD1 4.06Å; K406-I410 WeakPolarHBondContact O-CB 3.36Å; K406-I410 WeakPolarHBondContact O-CD1 3.47Å; K406-I410 VanDerWaalsContact O-CG1 3.26Å; K406-I410 WeakPolarHBondContact O-CG1 3.24Å; K406-I410 PolarHBondContact O-N 2.78Å; F407-I410 WeakPolarHBondContact O-CB 3.37Å; F407-I410 PolarHBondContact O-N 3.45Å; E408-I410 VanDerWaalsContact C-N 3.27Å; E408-I410 PolarHBondContact O-N 3.03Å; I410-K412 PolarHBondContact O-N 3.14Å; I410-G413 PolarHBondContact O-N 3.17Å; I410-M414 HydrophobicContact CG2-CG 4.42Å; I410-M414 HydrophobicContact CG2-SD 3.83Å; I410-M414 WeakPolarHBondContact O-CB 3.48Å; I410-M414 VanDerWaalsContact O-CG 3.29Å; I410-M414 WeakPolarHBondContact O-CG 3.28Å; I410-M414 PolarHBondContact O-N 2.93Å
411	I	98	Very high	96.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61.9	-47.8	-177.4	-71.9	163.8	0	0	0	110.5	I382 F407 E408 G413 M414 N415 V424 W447 V449	I382-I411 HydrophobicContact CD1-CG1 3.63Å; F407-I411 HydrophobicContact CD2-CD1 3.63Å; F407-I411 HydrophobicContact CD2-CG1 4.06Å; F407-I411 HydrophobicContact CE2-CD1 3.5Å; F407-I411 VanDerWaalsContact CE2-CD1 3.5Å; F407-I411 HydrophobicContact CE2-CG1 4.02Å; F407-I411 HydrophobicContact CG-CD1 4.35Å; F407-I411 HydrophobicContact CZ-CD1 4.12Å; F407-I411 PolarHBondContact O-N 2.7Å; E408-I411 PolarHBondContact O-N 3.31Å; I411-G413 VanDerWaalsContact C-N 3.33Å; I411-G413 PolarHBondContact O-N 3.18Å; I411-M414 PolarHBondContact O-N 3.3Å; I411-N415 WeakPolarHBondContact O-CB 3.33Å; I411-N415 PolarHBondContact O-N 3.15Å; I411-N415 PolarHBondContact O-ND2 3.43Å; I411-V424 HydrophobicContact CD1-CG2 4.04Å; I411-V424 HydrophobicContact CG1-CG2 4.36Å; I411-W447 HydrophobicContact CB-CB 4.29Å; I411-W447 HydrophobicContact CD1-CE3 3.5Å; I411-W447 VanDerWaalsContact CD1-CE3 3.5Å; I411-W447 HydrophobicContact CD1-CZ3 4.01Å; I411-W447 HydrophobicContact CG2-CB 3.77Å; I411-W447 WeakPolarHBondContact CG2-O 3.38Å; I411-V449 HydrophobicContact CD1-CG2 3.77Å; I411-V449 HydrophobicContact CG1-CG2 4.3Å; I411-V449 HydrophobicContact CG2-CG2 3.72Å
412	K	97.3	Very high	96.3	Very high	85 Å²	85	37.6 Å²	37.6	37%	0.37	18%	0.177	S	C	.	.	H	α-helix	trans	-61.7	-40	177.7	-73.7	-177.5	172.8	175.2	0	112.2	Y218 E408 I410 N415 Y416	Y218-K412 HydrophobicContact CE2-CB 4.38Å; Y218-K412 WeakPolarHBondContact OH-CB 3.41Å; E408-K412 HydrophobicContact CG-CD 3.97Å; E408-K412 HydrophobicContact CG-CG 4.47Å; E408-K412 WeakPolarHBondContact O-CB 3.45Å; E408-K412 PolarHBondContact O-N 3.15Å; E408-K412 WeakPolarHBondContact OE1-CE 3.25Å; E408-K412 IonicContact OE1-NZ 3.61Å; E408-K412 PolarHBondContact OE1-NZ 2.89Å; I410-K412 PolarHBondContact O-N 3.14Å; K412-N415 PolarHBondContact O-N 2.94Å; K412-Y416 PolarHBondContact O-N 3.49Å
413	G	97.6	Very high	96.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-66.6	-46.5	177.8	0	0	0	0	0	112.7	Y218 T365 Q409 I410 I411 N415 Y416 V417	Y218-G413 VanDerWaalsContact CZ-N 3.3Å; Y218-G413 PolarHBondContact OH-N 2.94Å; T365-G413 WeakPolarHBondContact CG2-O 3.29Å; Q409-G413 PolarHBondContact O-N 3.36Å; I410-G413 PolarHBondContact O-N 3.17Å; I411-G413 VanDerWaalsContact C-N 3.33Å; I411-G413 PolarHBondContact O-N 3.18Å; G413-N415 VanDerWaalsContact C-N 3.32Å; G413-N415 PolarHBondContact O-N 3.44Å; G413-Y416 WeakPolarHBondContact O-CB 3.47Å; G413-Y416 PolarHBondContact O-N 2.79Å; G413-V417 PolarHBondContact O-N 3.27Å
414	M	98	Very high	96.7	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.7	-42	175.5	-68.1	-178.1	65.2	0	0	111.4	V356 M364 A368 V380 I382 I410 I411 Y416 V417 L418 V422	V356-M414 HydrophobicContact CG2-CE 3.82Å; M364-M414 HydrophobicContact CB-CG 4.39Å; M364-M414 HydrophobicContact CB-SD 4.16Å; M364-M414 HydrophobicContact CE-CE 4.34Å; M364-M414 HydrophobicContact CE-SD 3.57Å; M364-M414 VanDerWaalsContact CE-SD 3.57Å; A368-M414 HydrophobicContact CB-CB 4.07Å; A368-M414 HydrophobicContact CB-CE 4.04Å; A368-M414 HydrophobicContact CB-CG 3.75Å; V380-M414 HydrophobicContact CB-CE 4.38Å; V380-M414 HydrophobicContact CG1-CE 3.5Å; I382-M414 HydrophobicContact CD1-CE 4.28Å; I382-M414 HydrophobicContact CD1-SD 3.53Å; I382-M414 VanDerWaalsContact CD1-SD 3.53Å; I382-M414 HydrophobicContact CG1-CE 3.86Å; I382-M414 HydrophobicContact CG1-SD 3.62Å; I410-M414 HydrophobicContact CG2-CG 4.42Å; I410-M414 HydrophobicContact CG2-SD 3.83Å; I410-M414 WeakPolarHBondContact O-CB 3.48Å; I410-M414 VanDerWaalsContact O-CG 3.29Å; I410-M414 WeakPolarHBondContact O-CG 3.28Å; I410-M414 PolarHBondContact O-N 2.93Å; I411-M414 PolarHBondContact O-N 3.3Å; M414-Y416 VanDerWaalsContact C-N 3.26Å; M414-Y416 PolarHBondContact O-N 3.26Å; M414-V417 WeakPolarHBondContact O-CG2 3.27Å; M414-V417 PolarHBondContact O-N 3.13Å; M414-L418 HydrophobicContact CB-CD1 4.09Å; M414-L418 HydrophobicContact CE-CD1 4.21Å; M414-L418 VanDerWaalsContact O-CB 3.32Å; M414-L418 WeakPolarHBondContact O-CB 3.48Å; M414-L418 WeakPolarHBondContact O-CG 3.48Å; M414-L418 PolarHBondContact O-N 3.49Å; M414-V422 HydrophobicContact CB-CG2 3.92Å
415	N	96.1	Very high	96.9	Very high	29 Å²	29	28.1 Å²	28.1	16%	0.155	13%	0.125	C	C	.	.	H	α-helix	trans	-63.4	-28.6	173.2	-88.7	-37.3	0	0	0	113.3	K288 I411 K412 G413 V417 V422 W447 G448	K288-N415 PolarHBondContact NZ-O 3.1Å; I411-N415 WeakPolarHBondContact O-CB 3.33Å; I411-N415 PolarHBondContact O-N 3.15Å; I411-N415 PolarHBondContact O-ND2 3.43Å; K412-N415 PolarHBondContact O-N 2.94Å; G413-N415 VanDerWaalsContact C-N 3.32Å; G413-N415 PolarHBondContact O-N 3.44Å; N415-V417 VanDerWaalsContact C-N 3.34Å; N415-V422 WeakPolarHBondContact OD1-CG2 3.21Å; N415-W447 PolarHBondContact ND2-O 2.95Å; N415-G448 VanDerWaalsContact ND2-C 3.33Å; N415-G448 PolarHBondContact ND2-O 2.96Å
416	Y	95.4	Very high	97	Very high	61 Å²	61	21.1 Å²	21.1	24%	0.239	10%	0.098	C	C	.	.	H	α-helix	trans	-68.9	-33.9	176.8	-175	-90.8	0	0	0	112.3	K214 E217 Y218 K282 K412 G413 M414	K214-Y416 HydrophobicContact CB-CD1 4.4Å; K214-Y416 HydrophobicContact CB-CE1 4.16Å; K214-Y416 VanDerWaalsContact O-CE1 3.27Å; K214-Y416 WeakPolarHBondContact O-CE1 3.49Å; E217-Y416 HydrophobicContact CB-CE1 4.39Å; E217-Y416 PolarHBondContact OE2-OH 3.22Å; Y218-Y416 HydrophobicContact CD2-CD2 4.43Å; Y218-Y416 HydrophobicContact CD2-CG 4.22Å; Y218-Y416 HydrophobicContact CG-CG 4.49Å; K282-Y416 PolarHBondContact NZ-OH 2.71Å; K412-Y416 PolarHBondContact O-N 3.49Å; G413-Y416 WeakPolarHBondContact O-CB 3.47Å; G413-Y416 PolarHBondContact O-N 2.79Å; M414-Y416 VanDerWaalsContact C-N 3.26Å; M414-Y416 PolarHBondContact O-N 3.26Å
417	V	96.2	Very high	97	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-102.5	-21.1	-172.1	-55.8	0	0	0	0	114.8	K214 T365 A368 E369 G413 M414 N415	K214-V417 HydrophobicContact CB-CB 4.37Å; K214-V417 HydrophobicContact CB-CG1 3.72Å; T365-V417 HydrophobicContact CG2-CG1 3.66Å; T365-V417 HydrophobicContact CG2-CG2 4.19Å; A368-V417 HydrophobicContact CB-CG2 3.59Å; E369-V417 HydrophobicContact CB-CB 3.99Å; E369-V417 HydrophobicContact CB-CG1 4.35Å; E369-V417 HydrophobicContact CB-CG2 4.09Å; G413-V417 PolarHBondContact O-N 3.27Å; M414-V417 WeakPolarHBondContact O-CG2 3.27Å; M414-V417 PolarHBondContact O-N 3.13Å; N415-V417 VanDerWaalsContact C-N 3.34Å
418	L	96.1	Very high	97	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.01	9%	0.087	C	C	.	.			trans	-91.8	135.7	-177.5	-71.9	164.8	0	0	0	112.8	K288 A368 N372 V380 M414 V420 V422	K288-L418 VanDerWaalsContact CE-O 3.3Å; K288-L418 WeakPolarHBondContact CE-O 3.49Å; K288-L418 PolarHBondContact NZ-O 3.36Å; A368-L418 HydrophobicContact CB-CD1 3.88Å; A368-L418 HydrophobicContact CB-CD2 4.23Å; A368-L418 HydrophobicContact CB-CG 3.9Å; A368-L418 WeakPolarHBondContact O-CD2 3.42Å; N372-L418 HydrophobicContact CB-CD2 4.04Å; N372-L418 WeakPolarHBondContact OD1-CA 3.45Å; V380-L418 HydrophobicContact CB-CD1 3.82Å; V380-L418 HydrophobicContact CG1-CD1 4.34Å; V380-L418 HydrophobicContact CG2-CD1 3.83Å; V380-L418 HydrophobicContact CG2-CD2 3.72Å; V380-L418 HydrophobicContact CG2-CG 4.47Å; M414-L418 HydrophobicContact CB-CD1 4.09Å; M414-L418 HydrophobicContact CE-CD1 4.21Å; M414-L418 VanDerWaalsContact O-CB 3.32Å; M414-L418 WeakPolarHBondContact O-CB 3.48Å; M414-L418 WeakPolarHBondContact O-CG 3.48Å; M414-L418 PolarHBondContact O-N 3.49Å; L418-V420 VanDerWaalsContact C-N 3.31Å; L418-V420 HydrophobicContact CB-CG2 4.3Å; L418-V420 HydrophobicContact CD2-CG2 4Å; L418-V422 HydrophobicContact CD1-CG2 3.6Å
419	D	94.1	Very high	96.9	Very high	61 Å²	61	15.8 Å²	15.8	33%	0.326	7%	0.074	S	C	.	.	S	Bend	trans	-85	-10.5	171.7	-55.8	-37.6	0	0	0	112.2	L283 K289 N372	L283-D419 HydrophobicContact CD1-CB 4.08Å; K289-D419 PolarHBondContact N-O 3.12Å; N372-D419 PolarHBondContact ND2-OD2 3.05Å; N372-D419 PolarHBondContact OD1-N 3.01Å; N372-D419 PolarHBondContact OD1-OD2 3.17Å
420	V	95.6	Very high	96.6	Very high	15 Å²	15	14.5 Å²	14.5	9%	0.091	7%	0.069	C	C	.	.	S	Bend	trans	-106.9	158	177.1	-63.7	0	0	0	0	111.7	K289 V377 V380 L418	K289-V420 HydrophobicContact CB-CG1 4.47Å; K289-V420 HydrophobicContact CD-CG1 4.36Å; V377-V420 HydrophobicContact CG2-CG2 4.12Å; V377-V420 WeakPolarHBondContact O-CG1 3.27Å; V380-V420 HydrophobicContact CG2-CG2 3.99Å; L418-V420 VanDerWaalsContact C-N 3.31Å; L418-V420 HydrophobicContact CB-CG2 4.3Å; L418-V420 HydrophobicContact CD2-CG2 4Å
421	P	96.1	Very high	96.2	Very high	6 Å²	6	19.8 Å²	19.8	4%	0.039	9%	0.094	C	C	.	.			trans	-65.5	145.9	-179.1	21.8	-32.3	0	0	0	112.8	K289 V291 D378 F379 V380 S450	K289-P421 VanDerWaalsContact O-CD 3.26Å; K289-P421 WeakPolarHBondContact O-CD 3.39Å; V291-P421 HydrophobicContact CB-CG 4.32Å; V291-P421 HydrophobicContact CG2-CG 3.81Å; D378-P421 WeakPolarHBondContact O-CD 3.45Å; F379-P421 WeakPolarHBondContact CA-O 3.32Å; F379-P421 HydrophobicContact CB-CG 3.94Å; F379-P421 WeakPolarHBondContact CB-O 3.32Å; V380-P421 PolarHBondContact N-O 2.64Å; P421-S450 VanDerWaalsContact CB-CB 3.48Å; P421-S450 WeakPolarHBondContact CB-OG 3.2Å
422	V	97.6	Very high	95.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	124.2	170.9	176.4	0	0	0	0	109.2	V380 I382 M414 N415 L418 S450	V380-V422 WeakPolarHBondContact O-CA 3.27Å; I382-V422 HydrophobicContact CD1-CG1 3.68Å; I382-V422 HydrophobicContact CG1-CG1 4.14Å; M414-V422 HydrophobicContact CB-CG2 3.92Å; N415-V422 WeakPolarHBondContact OD1-CG2 3.21Å; L418-V422 HydrophobicContact CD1-CG2 3.6Å; V422-S450 PolarHBondContact O-N 2.97Å
423	T	98	Very high	95.2	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	162.2	173.7	71.1	0	0	0	0	110.1	F293 F379 V380 D381 I382 M451	F293-T423 HydrophobicContact CE1-CG2 4.43Å; F293-T423 HydrophobicContact CE2-CG2 4.44Å; F293-T423 HydrophobicContact CZ-CG2 3.83Å; F379-T423 HydrophobicContact CB-CG2 4.25Å; F379-T423 HydrophobicContact CD2-CG2 3.88Å; F379-T423 WeakPolarHBondContact CD2-OG1 3.49Å; F379-T423 HydrophobicContact CG-CG2 4.31Å; V380-T423 PolarHBondContact O-N 2.72Å; D381-T423 CarbonylContact C-O 3.52Å; D381-T423 WeakPolarHBondContact CA-O 3.37Å; D381-T423 WeakPolarHBondContact CA-OG1 3.36Å; D381-T423 VanDerWaalsContact CB-OG1 3.27Å; D381-T423 WeakPolarHBondContact CB-OG1 3.45Å; D381-T423 PolarHBondContact OD1-OG1 2.9Å; I382-T423 PolarHBondContact N-O 2.95Å; T423-M451 VanDerWaalsContact CA-O 3.31Å; T423-M451 WeakPolarHBondContact CA-O 3.29Å; T423-M451 WeakPolarHBondContact CB-O 3.49Å; T423-M451 HydrophobicContact CG2-CB 3.85Å; T423-M451 HydrophobicContact CG2-CE 3.98Å
424	V	98.2	Very high	95	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	131.3	-177	-179.6	0	0	0	0	110.6	D381 I382 F407 I411 I426 M444 V449 M451 V452 T453	D381-V424 PolarHBondContact OD1-N 3.05Å; I382-V424 HydrophobicContact CB-CG2 4.32Å; I382-V424 HydrophobicContact CD1-CG2 4.26Å; F407-V424 HydrophobicContact CE2-CG1 4.18Å; F407-V424 HydrophobicContact CZ-CG1 3.54Å; I411-V424 HydrophobicContact CD1-CG2 4.04Å; I411-V424 HydrophobicContact CG1-CG2 4.36Å; V424-I426 HydrophobicContact CG1-CG2 3.87Å; V424-M444 HydrophobicContact CG1-CE 4.07Å; V424-V449 HydrophobicContact CB-CG1 4.32Å; V424-V449 HydrophobicContact CG2-CG1 3.9Å; V424-V449 HydrophobicContact CG2-CG2 3.71Å; V424-M451 PolarHBondContact N-O 3.48Å; V424-V452 CarbonylContact O-C 3.47Å; V424-V452 WeakPolarHBondContact O-CA 3.43Å; V424-T453 PolarHBondContact O-N 3.46Å
425	K	98.4	Very high	94.8	Very high	20 Å²	20	33.6 Å²	33.6	9%	0.087	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	118.4	170.5	-170.9	179.7	-160	-56.1	0	111.9	P301 I382 S384 G385 T453 N487 M508	P301-K425 HydrophobicContact CG-CD 4.35Å; I382-K425 PolarHBondContact O-N 2.91Å; S384-K425 CarbonylContact C-O 3.52Å; S384-K425 VanDerWaalsContact CA-O 3.28Å; S384-K425 WeakPolarHBondContact CA-O 3.35Å; S384-K425 PolarHBondContact N-O 3.19Å; G385-K425 PolarHBondContact N-O 2.98Å; K425-T453 WeakPolarHBondContact CA-O 3.24Å; K425-T453 HydrophobicContact CG-CG2 4.09Å; K425-N487 PolarHBondContact NZ-OD1 3.49Å; K425-M508 HydrophobicContact CD-CE 4.25Å; K425-M508 HydrophobicContact CD-SD 4.07Å; K425-M508 WeakPolarHBondContact CE-SD 3.45Å
426	I	97.7	Very high	94.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	173.8	179	54	172.9	0	0	0	113.3	M401 F407 V424 A437 I441 M444 V452 T453 L454 H455	M401-I426 HydrophobicContact CE-CB 3.93Å; M401-I426 HydrophobicContact CE-CD1 4.31Å; M401-I426 HydrophobicContact CE-CG2 4.09Å; M401-I426 HydrophobicContact CG-CG2 4.07Å; M401-I426 HydrophobicContact SD-CB 3.88Å; M401-I426 HydrophobicContact SD-CG2 3.96Å; F407-I426 HydrophobicContact CE1-CG2 4.49Å; V424-I426 HydrophobicContact CG1-CG2 3.87Å; I426-A437 HydrophobicContact CD1-CB 3.91Å; I426-I441 HydrophobicContact CD1-CD1 4.22Å; I426-I441 HydrophobicContact CD1-CG1 4.03Å; I426-M444 HydrophobicContact CD1-CE 4.42Å; I426-M444 HydrophobicContact CG2-CE 4.03Å; I426-V452 HydrophobicContact CD1-CG1 3.89Å; I426-V452 HydrophobicContact CG1-CG1 3.93Å; I426-T453 PolarHBondContact N-O 3.14Å; I426-L454 HydrophobicContact CD1-CD1 4.17Å; I426-L454 HydrophobicContact CG1-CD1 3.95Å; I426-H455 WeakPolarHBondContact O-CB 3.25Å; I426-H455 PolarHBondContact O-N 2.74Å
427	R	97.1	Very high	94.8	Very high	10 Å²	10	31 Å²	31	4%	0.038	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	175	167	-81.8	-175.4	179.3	-89.8	-7.5	109.9	G385 M401 G429 L454 H455 R457 S458	G385-R427 VanDerWaalsContact O-CD 3.28Å; G385-R427 WeakPolarHBondContact O-CD 3.36Å; G385-R427 PolarHBondContact O-NE 3.48Å; M401-R427 VanDerWaalsContact CE-O 3.23Å; M401-R427 WeakPolarHBondContact CE-O 3.45Å; R427-G429 PolarHBondContact O-N 3.41Å; R427-L454 VanDerWaalsContact C-CD1 3.45Å; R427-L454 WeakPolarHBondContact O-CD1 3.12Å; R427-H455 WeakPolarHBondContact CA-O 3.29Å; R427-H455 HydrophobicContact CG-CB 4.15Å; R427-R457 VanDerWaalsContact CB-O 3.24Å; R427-R457 WeakPolarHBondContact CB-O 3.41Å; R427-R457 VanDerWaalsContact CG-O 3.32Å; R427-R457 WeakPolarHBondContact CG-O 3.39Å; R427-R457 PolarHBondContact NH1-O 2.78Å; R427-S458 PolarHBondContact NH1-O 2.84Å
428	T	96.5	Very high	94.8	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.006	17%	0.169	C	C	.	.	S	Bend	trans	-63.4	-31.8	174.5	67.1	0	0	0	0	112.5	N435 I436 A437 L454 H455 G456 R457 S458 Y471	T428-N435 WeakPolarHBondContact CB-OD1 3.49Å; T428-N435 CarbonylContact O-C 3.57Å; T428-N435 WeakPolarHBondContact O-CA 3.18Å; T428-N435 PolarHBondContact OG1-OD1 3.49Å; T428-I436 PolarHBondContact O-N 3.23Å; T428-A437 PolarHBondContact O-N 3.23Å; T428-L454 HydrophobicContact CG2-CD1 4.47Å; T428-H455 PolarHBondContact N-O 2.79Å; T428-G456 VanDerWaalsContact CG2-C 3.42Å; T428-R457 PolarHBondContact N-O 3.07Å; T428-S458 WeakPolarHBondContact OG1-CA 3.11Å; T428-S458 PolarHBondContact OG1-N 3.16Å; T428-S458 VanDerWaalsContact OG1-N 3.11Å; T428-Y471 HydrophobicContact CG2-CD1 3.64Å; T428-Y471 HydrophobicContact CG2-CE1 3.83Å
429	G	94.8	Very high	94.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.198	C	C	.	.			trans	170.7	-168.2	177.5	0	0	0	0	0	112.1	R427 S458 R459	R427-G429 PolarHBondContact O-N 3.41Å; G429-S458 CarbonylContact O-C 3.54Å; G429-S458 VanDerWaalsContact O-CA 3.3Å; G429-S458 WeakPolarHBondContact O-CA 3.48Å; G429-R459 PolarHBondContact O-N 3.4Å
430	V	91.4	Very high	94.8	Very high	14 Å²	14	38.4 Å²	38.4	9%	0.085	19%	0.185	C	C	.	.	S	Bend	trans	-83.9	-53.6	176.2	-179.4	0	0	0	0	110.3	Y392 T402 R459 E460	Y392-V430 HydrophobicContact CE2-CG1 4.03Å; Y392-V430 HydrophobicContact CE2-CG2 4.16Å; T402-V430 HydrophobicContact CG2-CG2 3.83Å; V430-R459 HydrophobicContact CG1-CB 4.48Å; V430-R459 WeakPolarHBondContact O-CB 3.33Å; V430-R459 PolarHBondContact O-N 3.08Å; V430-E460 WeakPolarHBondContact O-CG 3.47Å; V430-E460 PolarHBondContact O-N 2.88Å; V430-E460 VanDerWaalsContact O-N 3.14Å
431	Q	90.4	Very high	94.8	Very high	111 Å²	111	37.9 Å²	37.9	52%	0.519	18%	0.181	S	C	.	.	S	Bend	trans	-92.4	150.5	-173.8	-65.1	171.8	8.1	0	0	112.1	S458 E460	Q431-S458 WeakPolarHBondContact O-CB 3.41Å; Q431-E460 VanDerWaalsContact CA-OE2 3.24Å; Q431-E460 WeakPolarHBondContact CA-OE2 3.23Å
432	E	87.9	Confident	94.4	Very high	80 Å²	80	39.1 Å²	39.1	37%	0.374	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	142	167.8	-175.5	164.7	-152.4	0	0	110.6	S434 E460 Q461	E432-S434 PolarHBondContact O-N 2.95Å; E432-E460 PolarHBondContact N-OE2 3.28Å; E432-Q461 HydrophobicContact CB-CG 4.19Å; E432-Q461 HydrophobicContact CG-CG 4.03Å; E432-Q461 PolarHBondContact OE1-NE2 2.94Å
433	K	86.6	Confident	94.2	Very high	198 Å²	198	43.5 Å²	43.5	86%	0.861	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.5	-2.1	-176.6	-60.9	170.3	-177.3	-176.2	0	116.7
434	S	92.1	Very high	94	Very high	59 Å²	59	43.5 Å²	43.5	41%	0.413	22%	0.216	S	C	.	.			trans	-113.3	73.4	174.7	-168.1	0	0	0	0	110.1	E432	E432-S434 PolarHBondContact O-N 2.95Å
435	N	94.1	Very high	93.5	Very high	38 Å²	38	48.3 Å²	48.3	20%	0.203	24%	0.236	C	C	.	.			trans	-74.9	132.4	178.8	-69.7	-18.7	0	0	0	110	T428 H438 Y471	T428-N435 WeakPolarHBondContact CB-OD1 3.49Å; T428-N435 CarbonylContact O-C 3.57Å; T428-N435 WeakPolarHBondContact O-CA 3.18Å; T428-N435 PolarHBondContact OG1-OD1 3.49Å; N435-H438 PolarHBondContact O-CE1 3.24Å; N435-Y471 HydrophobicContact CB-CD2 4.49Å; N435-Y471 HydrophobicContact CB-CE1 4.02Å; N435-Y471 HydrophobicContact CB-CE2 3.78Å; N435-Y471 WeakPolarHBondContact CB-OH 3.34Å
436	I	95.4	Very high	93.2	Very high	36 Å²	36	52.7 Å²	52.7	19%	0.185	26%	0.261	C	S	.	.			trans	-121.9	-10.8	-180	62	167.8	0	0	0	113.1	M401 T402 T428 H438 K439 L440	M401-I436 HydrophobicContact CB-CD1 3.89Å; M401-I436 HydrophobicContact CE-CD1 4.24Å; M401-I436 HydrophobicContact CE-CG1 4.01Å; T402-I436 HydrophobicContact CG2-CD1 4.27Å; T428-I436 PolarHBondContact O-N 3.23Å; I436-H438 VanDerWaalsContact C-N 3.32Å; I436-H438 PolarHBondContact O-N 2.99Å; I436-K439 WeakPolarHBondContact O-CB 3.36Å; I436-K439 PolarHBondContact O-N 3.28Å; I436-K439 VanDerWaalsContact O-N 3.11Å; I436-L440 HydrophobicContact CD1-CD1 4.43Å; I436-L440 PolarHBondContact O-N 3.29Å
437	A	96.8	Very high	93.1	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-56.6	-41.9	-176.1	0	0	0	0	0	113.2	M401 I426 T428 K439 L440 I441 L454 Y471	M401-A437 HydrophobicContact CE-CB 4.3Å; I426-A437 HydrophobicContact CD1-CB 3.91Å; T428-A437 PolarHBondContact O-N 3.23Å; A437-K439 PolarHBondContact O-N 3.32Å; A437-L440 PolarHBondContact O-N 3.22Å; A437-I441 HydrophobicContact CB-CD1 4.31Å; A437-I441 VanDerWaalsContact O-CG1 3.3Å; A437-I441 WeakPolarHBondContact O-CG1 3.46Å; A437-I441 PolarHBondContact O-N 3.11Å; A437-L454 HydrophobicContact CB-CD1 3.84Å; A437-Y471 HydrophobicContact CB-CE1 4.12Å; A437-Y471 PolarHBondContact N-OH 3.41Å
438	H	95.6	Very high	92.9	Very high	66 Å²	66	54.3 Å²	54.3	31%	0.306	28%	0.277	S	S	.	.	H	α-helix	trans	-58.6	-32	179.6	63.7	-87.3	0	0	0	112.9	N435 I436 Y471 L478	N435-H438 PolarHBondContact O-CE1 3.24Å; I436-H438 VanDerWaalsContact C-N 3.32Å; I436-H438 PolarHBondContact O-N 2.99Å; H438-Y471 HydrophobicContact CB-CE2 4.35Å; H438-Y471 PolarHBondContact N-OH 3.03Å; H438-Y471 AromaticContact ND1-CE2 3.74Å; H438-Y471 AromaticContact ND1-CZ 3.73Å; H438-Y471 PolarHBondContact ND1-OH 3.36Å; H438-L478 HydrophobicContact CB-CD1 3.73Å
439	K	94.6	Very high	92.8	Very high	143 Å²	143	54.5 Å²	54.5	62%	0.622	28%	0.279	S	S	*	.	H	α-helix	trans	-73.8	-30.9	177.2	-54.1	-173.6	179.8	-178.8	0	112.4	I436 A437	I436-K439 WeakPolarHBondContact O-CB 3.36Å; I436-K439 PolarHBondContact O-N 3.28Å; I436-K439 VanDerWaalsContact O-N 3.11Å; A437-K439 PolarHBondContact O-N 3.32Å
440	L	95.8	Very high	92.9	Very high	10 Å²	10	56.5 Å²	56.5	5%	0.052	29%	0.293	C	S	.	.	H	α-helix	trans	-88.6	-33.6	-177	-64.4	173.8	0	0	0	112.5	M401 T404 I436 A437 G442 E443 M444 W447	M401-L440 HydrophobicContact CB-CD1 3.89Å; M401-L440 HydrophobicContact CE-CD1 3.82Å; M401-L440 HydrophobicContact CG-CD1 4.34Å; M401-L440 WeakPolarHBondContact O-CD1 3.31Å; T404-L440 HydrophobicContact CG2-CD2 3.93Å; I436-L440 HydrophobicContact CD1-CD1 4.43Å; I436-L440 PolarHBondContact O-N 3.29Å; A437-L440 PolarHBondContact O-N 3.22Å; L440-G442 VanDerWaalsContact C-N 3.34Å; L440-G442 PolarHBondContact O-N 3.3Å; L440-E443 PolarHBondContact O-N 3.43Å; L440-E443 VanDerWaalsContact O-N 3.14Å; L440-M444 HydrophobicContact CB-CE 4.17Å; L440-M444 VanDerWaalsContact O-CG 3.31Å; L440-M444 WeakPolarHBondContact O-CG 2.81Å; L440-M444 PolarHBondContact O-N 3.37Å; L440-W447 HydrophobicContact CD2-CH2 4.33Å
441	I	95.2	Very high	93.1	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.021	29%	0.289	C	S	.	.	H	α-helix	trans	-60.2	-42.5	-175.6	-76	167.7	0	0	0	111.7	I426 A437 E443 M444 V452 C475 L478 A479 L484	I426-I441 HydrophobicContact CD1-CD1 4.22Å; I426-I441 HydrophobicContact CD1-CG1 4.03Å; A437-I441 HydrophobicContact CB-CD1 4.31Å; A437-I441 VanDerWaalsContact O-CG1 3.3Å; A437-I441 WeakPolarHBondContact O-CG1 3.46Å; A437-I441 PolarHBondContact O-N 3.11Å; I441-E443 VanDerWaalsContact C-N 3.3Å; I441-E443 PolarHBondContact O-N 2.83Å; I441-M444 PolarHBondContact O-N 3.06Å; I441-V452 HydrophobicContact CG1-CG1 4.38Å; I441-C475 HydrophobicContact CD1-CB 3.61Å; I441-L478 HydrophobicContact CG2-CB 4.44Å; I441-A479 HydrophobicContact CG2-CB 3.6Å; I441-L484 HydrophobicContact CD1-CD1 3.83Å
442	G	88.3	Confident	93.5	Very high	32 Å²	32	50.7 Å²	50.7	33%	0.33	27%	0.265	S	S	.	.	H	α-helix	trans	-60.5	-39.2	176.1	0	0	0	0	0	112.8	L440	L440-G442 VanDerWaalsContact C-N 3.34Å; L440-G442 PolarHBondContact O-N 3.3Å
443	E	93.3	Very high	94	Very high	91 Å²	91	46.9 Å²	46.9	43%	0.425	25%	0.247	S	C	.	.	H	α-helix	trans	-72.3	-36.6	177.7	-65.2	-60.6	126.5	0	0	112.8	L440 I441 K445 N446 W447	L440-E443 PolarHBondContact O-N 3.43Å; L440-E443 VanDerWaalsContact O-N 3.14Å; I441-E443 VanDerWaalsContact C-N 3.3Å; I441-E443 PolarHBondContact O-N 2.83Å; E443-K445 PolarHBondContact O-N 3.47Å; E443-K445 VanDerWaalsContact O-N 3.14Å; E443-N446 WeakPolarHBondContact O-CA 3.41Å; E443-N446 WeakPolarHBondContact O-CB 3.46Å; E443-N446 PolarHBondContact O-N 3.2Å; E443-W447 HydrophobicContact CB-CD2 4.44Å; E443-W447 HydrophobicContact CB-CH2 4.17Å; E443-W447 HydrophobicContact CB-CZ2 3.53Å; E443-W447 HydrophobicContact CG-CZ2 4.37Å; E443-W447 VanDerWaalsContact O-CG 3.31Å; E443-W447 PolarHBondContact O-N 2.97Å; E443-W447 VanDerWaalsContact O-N 3.11Å; E443-W447 PolarHBondContact O-NE1 3.35Å
444	M	93.9	Very high	94.6	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-57.3	-31.2	-179.6	-77.5	175.9	178.5	0	0	113.1	F407 V424 I426 L440 I441 W447 G448 V449 V452	F407-M444 HydrophobicContact CD1-CE 4.19Å; F407-M444 HydrophobicContact CE1-CE 3.27Å; F407-M444 HydrophobicContact CZ-CE 3.59Å; V424-M444 HydrophobicContact CG1-CE 4.07Å; I426-M444 HydrophobicContact CD1-CE 4.42Å; I426-M444 HydrophobicContact CG2-CE 4.03Å; L440-M444 HydrophobicContact CB-CE 4.17Å; L440-M444 VanDerWaalsContact O-CG 3.31Å; L440-M444 WeakPolarHBondContact O-CG 2.81Å; L440-M444 PolarHBondContact O-N 3.37Å; I441-M444 PolarHBondContact O-N 3.06Å; M444-W447 HydrophobicContact CB-CE3 4.39Å; M444-W447 HydrophobicContact CG-CE3 3.79Å; M444-W447 HydrophobicContact CG-CZ3 3.85Å; M444-W447 PolarHBondContact O-N 3.25Å; M444-G448 PolarHBondContact O-N 3.5Å; M444-V449 HydrophobicContact CB-CB 4.22Å; M444-V449 HydrophobicContact CB-CG2 3.9Å; M444-V449 HydrophobicContact CG-CG2 4.23Å; M444-V449 PolarHBondContact O-N 2.94Å; M444-V449 VanDerWaalsContact O-N 3.11Å; M444-V452 HydrophobicContact SD-CG1 4.43Å; M444-V452 HydrophobicContact SD-CG2 3.87Å
445	K	88.3	Confident	94.8	Very high	100 Å²	100	35.2 Å²	35.2	44%	0.435	19%	0.189	S	C	.	.	H	α-helix	trans	-57.5	-48.6	171.3	179.1	176.5	175.5	174.3	0	111.3	E443 W447 G448 D480 P481 V482	E443-K445 PolarHBondContact O-N 3.47Å; E443-K445 VanDerWaalsContact O-N 3.14Å; K445-W447 PolarHBondContact O-N 2.59Å; K445-G448 PolarHBondContact O-N 2.78Å; K445-G448 VanDerWaalsContact O-N 3.16Å; K445-D480 PolarHBondContact NZ-O 2.81Å; K445-D480 VanDerWaalsContact NZ-O 3.15Å; K445-P481 VanDerWaalsContact CE-CD 3.5Å; K445-V482 HydrophobicContact CB-CG2 4.08Å; K445-V482 HydrophobicContact CG-CG2 4.02Å
446	N	91.5	Very high	95	Very high	112 Å²	112	33.4 Å²	33.4	60%	0.599	18%	0.179	S	C	*	.	H	α-helix	trans	-69.8	-22.5	179	-61.6	-28.8	0	0	0	112.8	E443 G448	E443-N446 WeakPolarHBondContact O-CA 3.41Å; E443-N446 WeakPolarHBondContact O-CB 3.46Å; E443-N446 PolarHBondContact O-N 3.2Å; N446-G448 VanDerWaalsContact C-N 3.3Å
447	W	95.2	Very high	94.9	Very high	10 Å²	10	31.9 Å²	31.9	4%	0.038	17%	0.171	C	C	.	.	H	α-helix	trans	-82.2	-10.8	176.3	-52.6	-14	0	0	0	112.8	T404 F407 E408 I411 N415 L440 E443 M444 K445	T404-W447 HydrophobicContact CG2-CH2 3.76Å; T404-W447 HydrophobicContact CG2-CZ2 3.78Å; F407-W447 HydrophobicContact CB-CZ3 4.37Å; F407-W447 HydrophobicContact CD1-CZ3 4.05Å; F407-W447 HydrophobicContact CG-CZ3 4.14Å; E408-W447 HydrophobicContact CB-CD2 3.92Å; E408-W447 HydrophobicContact CB-CE3 4.43Å; E408-W447 HydrophobicContact CB-CG 4.32Å; E408-W447 HydrophobicContact CB-CH2 4.4Å; E408-W447 HydrophobicContact CB-CZ2 3.91Å; E408-W447 HydrophobicContact CG-CD2 4.11Å; E408-W447 HydrophobicContact CG-CG 3.98Å; I411-W447 HydrophobicContact CB-CB 4.29Å; I411-W447 HydrophobicContact CD1-CE3 3.5Å; I411-W447 VanDerWaalsContact CD1-CE3 3.5Å; I411-W447 HydrophobicContact CD1-CZ3 4.01Å; I411-W447 HydrophobicContact CG2-CB 3.77Å; I411-W447 WeakPolarHBondContact CG2-O 3.38Å; N415-W447 PolarHBondContact ND2-O 2.95Å; L440-W447 HydrophobicContact CD2-CH2 4.33Å; E443-W447 HydrophobicContact CB-CD2 4.44Å; E443-W447 HydrophobicContact CB-CH2 4.17Å; E443-W447 HydrophobicContact CB-CZ2 3.53Å; E443-W447 HydrophobicContact CG-CZ2 4.37Å; E443-W447 VanDerWaalsContact O-CG 3.31Å; E443-W447 PolarHBondContact O-N 2.97Å; E443-W447 VanDerWaalsContact O-N 3.11Å; E443-W447 PolarHBondContact O-NE1 3.35Å; M444-W447 HydrophobicContact CB-CE3 4.39Å; M444-W447 HydrophobicContact CG-CE3 3.79Å; M444-W447 HydrophobicContact CG-CZ3 3.85Å; M444-W447 PolarHBondContact O-N 3.25Å; K445-W447 PolarHBondContact O-N 2.59Å
448	G	92.7	Very high	94.9	Very high	34 Å²	34	31.9 Å²	31.9	35%	0.351	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.6	27.3	177.3	0	0	0	0	0	114.4	N415 M444 K445 N446	N415-G448 VanDerWaalsContact ND2-C 3.33Å; N415-G448 PolarHBondContact ND2-O 2.96Å; M444-G448 PolarHBondContact O-N 3.5Å; K445-G448 PolarHBondContact O-N 2.78Å; K445-G448 VanDerWaalsContact O-N 3.16Å; N446-G448 VanDerWaalsContact C-N 3.3Å
449	V	95.5	Very high	94.7	Very high	6 Å²	6	30.2 Å²	30.2	4%	0.036	16%	0.162	C	C	.	.			trans	-69.4	134.5	171.9	177.3	0	0	0	0	109.9	I411 V424 M444 M451 V452	I411-V449 HydrophobicContact CD1-CG2 3.77Å; I411-V449 HydrophobicContact CG1-CG2 4.3Å; I411-V449 HydrophobicContact CG2-CG2 3.72Å; V424-V449 HydrophobicContact CB-CG1 4.32Å; V424-V449 HydrophobicContact CG2-CG1 3.9Å; V424-V449 HydrophobicContact CG2-CG2 3.71Å; M444-V449 HydrophobicContact CB-CB 4.22Å; M444-V449 HydrophobicContact CB-CG2 3.9Å; M444-V449 HydrophobicContact CG-CG2 4.23Å; M444-V449 PolarHBondContact O-N 2.94Å; M444-V449 VanDerWaalsContact O-N 3.11Å; V449-M451 WeakPolarHBondContact CG1-O 3.49Å; V449-V452 HydrophobicContact CG1-CG2 3.86Å
450	S	95.5	Very high	94.4	Very high	42 Å²	42	28.5 Å²	28.5	29%	0.294	16%	0.156	S	C	.	.	S	Bend	trans	-92.4	-20.4	-179	-50.7	0	0	0	0	114.2	P421 V422 P483	P421-S450 VanDerWaalsContact CB-CB 3.48Å; P421-S450 WeakPolarHBondContact CB-OG 3.2Å; V422-S450 PolarHBondContact O-N 2.97Å; S450-P483 WeakPolarHBondContact O-CD 3.4Å
451	M	97.3	Very high	93.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160	140.9	173.2	180	-166.7	70.7	0	0	110	F293 Y298 T423 V424 V449 P483 F485	F293-M451 HydrophobicContact CB-SD 4.09Å; F293-M451 HydrophobicContact CD1-CE 4.34Å; F293-M451 HydrophobicContact CD1-SD 3.47Å; F293-M451 WeakPolarHBondContact CD1-SD 3.31Å; F293-M451 HydrophobicContact CD2-CB 3.98Å; F293-M451 HydrophobicContact CD2-CG 4.49Å; F293-M451 HydrophobicContact CD2-SD 4.35Å; F293-M451 HydrophobicContact CE1-CE 4.22Å; F293-M451 HydrophobicContact CE1-SD 3.9Å; F293-M451 HydrophobicContact CE2-CB 3.99Å; F293-M451 HydrophobicContact CG-CB 4.31Å; F293-M451 HydrophobicContact CG-CG 4.35Å; F293-M451 HydrophobicContact CG-SD 3.73Å; F293-M451 HydrophobicContact CZ-CB 4.32Å; F293-M451 HydrophobicContact CZ-SD 4.5Å; Y298-M451 HydrophobicContact CD1-CE 4.19Å; Y298-M451 HydrophobicContact CE1-CE 3.85Å; T423-M451 VanDerWaalsContact CA-O 3.31Å; T423-M451 WeakPolarHBondContact CA-O 3.29Å; T423-M451 WeakPolarHBondContact CB-O 3.49Å; T423-M451 HydrophobicContact CG2-CB 3.85Å; T423-M451 HydrophobicContact CG2-CE 3.98Å; V424-M451 PolarHBondContact N-O 3.48Å; V449-M451 WeakPolarHBondContact CG1-O 3.49Å; M451-P483 WeakPolarHBondContact CA-O 3.46Å; M451-P483 HydrophobicContact CG-CB 4.25Å; M451-P483 WeakPolarHBondContact CG-O 3.31Å; M451-F485 HydrophobicContact CG-CD1 3.96Å; M451-F485 HydrophobicContact CG-CE1 4.37Å; M451-F485 HydrophobicContact SD-CD1 3.39Å; M451-F485 WeakPolarHBondContact SD-CD1 3.45Å; M451-F485 HydrophobicContact SD-CD2 4.49Å; M451-F485 HydrophobicContact SD-CE1 3.52Å; M451-F485 VanDerWaalsContact SD-CE1 3.52Å; M451-F485 HydrophobicContact SD-CG 3.93Å; M451-F485 HydrophobicContact SD-CZ 4.12Å
452	V	98.2	Very high	93.3	Very high	2 Å²	2	32.9 Å²	32.9	1%	0.012	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	133.3	172.3	-178.8	0	0	0	0	109.9	V424 I426 I441 M444 V449 P483 L484 F485	V424-V452 CarbonylContact O-C 3.47Å; V424-V452 WeakPolarHBondContact O-CA 3.43Å; I426-V452 HydrophobicContact CD1-CG1 3.89Å; I426-V452 HydrophobicContact CG1-CG1 3.93Å; I441-V452 HydrophobicContact CG1-CG1 4.38Å; M444-V452 HydrophobicContact SD-CG1 4.43Å; M444-V452 HydrophobicContact SD-CG2 3.87Å; V449-V452 HydrophobicContact CG1-CG2 3.86Å; V452-P483 PolarHBondContact N-O 2.9Å; V452-L484 CarbonylContact O-C 3.47Å; V452-L484 VanDerWaalsContact O-CA 3.27Å; V452-L484 WeakPolarHBondContact O-CA 3.23Å; V452-F485 PolarHBondContact O-N 3.36Å
453	T	98.6	Very high	92.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	123.4	164.6	-61.4	0	0	0	0	110	V424 K425 I426 F485 N487 M508	V424-T453 PolarHBondContact O-N 3.46Å; K425-T453 WeakPolarHBondContact CA-O 3.24Å; K425-T453 HydrophobicContact CG-CG2 4.09Å; I426-T453 PolarHBondContact N-O 3.14Å; T453-F485 WeakPolarHBondContact CA-O 3.16Å; T453-F485 HydrophobicContact CG2-CB 4.17Å; T453-N487 HydrophobicContact CG2-CB 3.9Å; T453-M508 HydrophobicContact CG2-CB 4.09Å; T453-M508 HydrophobicContact CG2-CE 3.66Å; T453-M508 HydrophobicContact CG2-SD 3.76Å
454	L	98.4	Very high	91.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	117.3	176.3	178.7	59.3	0	0	0	110.8	I426 R427 T428 A437 Y471 I472 C475 L484 F485 N487	I426-L454 HydrophobicContact CD1-CD1 4.17Å; I426-L454 HydrophobicContact CG1-CD1 3.95Å; R427-L454 VanDerWaalsContact C-CD1 3.45Å; R427-L454 WeakPolarHBondContact O-CD1 3.12Å; T428-L454 HydrophobicContact CG2-CD1 4.47Å; A437-L454 HydrophobicContact CB-CD1 3.84Å; L454-Y471 HydrophobicContact CD2-CD1 4.31Å; L454-Y471 HydrophobicContact CD2-CE1 4.22Å; L454-I472 HydrophobicContact CD2-CG1 4.01Å; L454-I472 HydrophobicContact CG-CG1 4.17Å; L454-C475 HydrophobicContact CD2-CB 3.55Å; L454-C475 VanDerWaalsContact CD2-SG 3.6Å; L454-L484 HydrophobicContact CB-CD1 4.39Å; L454-L484 HydrophobicContact CB-CD2 4.28Å; L454-F485 PolarHBondContact N-O 2.84Å; L454-N487 PolarHBondContact O-N 3.5Å
455	H	97.7	Very high	91.3	Very high	12 Å²	12	43.5 Å²	43.5	6%	0.056	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	118.6	163.9	-168.6	167.8	0	0	0	109.7	I426 R427 T428 R457 N487	I426-H455 WeakPolarHBondContact O-CB 3.25Å; I426-H455 PolarHBondContact O-N 2.74Å; R427-H455 WeakPolarHBondContact CA-O 3.29Å; R427-H455 HydrophobicContact CG-CB 4.15Å; T428-H455 PolarHBondContact N-O 2.79Å; H455-R457 PolarHBondContact CE1-NH2 3.25Å; H455-R457 PolarHBondContact NE2-NE 3.48Å; H455-R457 PolarHBondContact NE2-NH2 2.98Å; H455-R457 PolarHBondContact O-N 2.81Å; H455-N487 VanDerWaalsContact CA-O 3.29Å; H455-N487 WeakPolarHBondContact CA-O 3.49Å; H455-N487 HydrophobicContact CB-CB 4.4Å; H455-N487 PolarHBondContact CD2-O 2.77Å
456	G	96.5	Very high	91.5	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.222	C	C	.	.	S	Bend	trans	-66	24.4	-179.1	0	0	0	0	0	116.1	T428 A467 D468 N487	T428-G456 VanDerWaalsContact CG2-C 3.42Å; G456-A467 CarbonylContact O-C 3.32Å; G456-A467 WeakPolarHBondContact O-CA 3.2Å; G456-D468 PolarHBondContact O-N 2.86Å; G456-N487 PolarHBondContact N-O 3.24Å
457	R	95.2	Very high	91.6	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.015	20%	0.199	C	C	.	.	S	Bend	trans	-133.1	145.4	174.8	-69.7	177.1	-72.5	163.6	-10.6	111.3	R427 T428 H455 Q461 R462 Y463 K465 A467 D489 R511	R427-R457 VanDerWaalsContact CB-O 3.24Å; R427-R457 WeakPolarHBondContact CB-O 3.41Å; R427-R457 VanDerWaalsContact CG-O 3.32Å; R427-R457 WeakPolarHBondContact CG-O 3.39Å; R427-R457 PolarHBondContact NH1-O 2.78Å; T428-R457 PolarHBondContact N-O 3.07Å; H455-R457 PolarHBondContact CE1-NH2 3.25Å; H455-R457 PolarHBondContact NE2-NE 3.48Å; H455-R457 PolarHBondContact NE2-NH2 2.98Å; H455-R457 PolarHBondContact O-N 2.81Å; R457-Q461 HydrophobicContact CB-CB 4.36Å; R457-R462 PolarHBondContact NH1-O 3.5Å; R457-Y463 VanDerWaalsContact NH1-CA 3.29Å; R457-K465 VanDerWaalsContact CD-O 3.25Å; R457-K465 WeakPolarHBondContact CD-O 3.08Å; R457-A467 HydrophobicContact CG-CB 4.32Å; R457-D489 IonicContact CZ-OD1 3.05Å; R457-D489 IonicContact NH2-OD1 2.77Å; R457-R511 VanDerWaalsContact NH2-NH2 3.14Å
458	S	94.9	Very high	91.6	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.214	C	C	.	.			trans	-68.5	172.5	170	83	0	0	0	0	111	R427 T428 G429 Q431 E460 Q461	R427-S458 PolarHBondContact NH1-O 2.84Å; T428-S458 WeakPolarHBondContact OG1-CA 3.11Å; T428-S458 PolarHBondContact OG1-N 3.16Å; T428-S458 VanDerWaalsContact OG1-N 3.11Å; G429-S458 CarbonylContact O-C 3.54Å; G429-S458 VanDerWaalsContact O-CA 3.3Å; G429-S458 WeakPolarHBondContact O-CA 3.48Å; Q431-S458 WeakPolarHBondContact O-CB 3.41Å; S458-E460 PolarHBondContact OG-N 3.38Å; S458-Q461 WeakPolarHBondContact OG-CG 3.37Å; S458-Q461 PolarHBondContact OG-N 3.1Å
459	R	91.4	Very high	91.8	Very high	31 Å²	31	42.5 Å²	42.5	12%	0.117	21%	0.205	C	C	.	.	S	Bend	trans	-63.8	-46.8	172.8	-178.5	-155.3	176.6	-172.6	-6.5	111.3	P387 D389 Y392 C398 G429 V430 Q461 R462	P387-R459 HydrophobicContact CB-CB 4.39Å; P387-R459 HydrophobicContact CB-CG 3.53Å; P387-R459 PolarHBondContact O-NE 3.3Å; D389-R459 IonicContact OD1-CZ 3.44Å; D389-R459 IonicContact OD1-NH2 2.64Å; D389-R459 PolarHBondContact OD1-NH2 3.19Å; Y392-R459 VanDerWaalsContact CD1-CZ 3.47Å; C398-R459 HydrophobicContact CB-CB 4.41Å; C398-R459 WeakPolarHBondContact SG-CD 3.19Å; C398-R459 WeakPolarHBondContact SG-CG 3.19Å; G429-R459 PolarHBondContact O-N 3.4Å; V430-R459 HydrophobicContact CG1-CB 4.48Å; V430-R459 WeakPolarHBondContact O-CB 3.33Å; V430-R459 PolarHBondContact O-N 3.08Å; R459-Q461 PolarHBondContact O-N 2.97Å; R459-R462 WeakPolarHBondContact O-CD 3.42Å; R459-R462 WeakPolarHBondContact O-CG 3.43Å; R459-R462 PolarHBondContact O-N 3.22Å
460	E	89.4	Confident	91.9	Very high	107 Å²	107	48.5 Å²	48.5	50%	0.5	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-37.7	-176.5	-76.9	175.7	177.4	0	0	112.9	V430 Q431 E432 S458 R462	V430-E460 WeakPolarHBondContact O-CG 3.47Å; V430-E460 PolarHBondContact O-N 2.88Å; V430-E460 VanDerWaalsContact O-N 3.14Å; Q431-E460 VanDerWaalsContact CA-OE2 3.24Å; Q431-E460 WeakPolarHBondContact CA-OE2 3.23Å; E432-E460 PolarHBondContact N-OE2 3.28Å; S458-E460 PolarHBondContact OG-N 3.38Å; E460-R462 PolarHBondContact O-N 3.46Å; E460-R462 VanDerWaalsContact O-N 3.09Å
461	Q	84.6	Confident	92	Very high	29 Å²	29	47.8 Å²	47.8	14%	0.136	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-18.2	177.9	-73.6	176.9	-41.6	0	0	113.5	E432 R457 S458 R459 Y463 T464 K465	E432-Q461 HydrophobicContact CB-CG 4.19Å; E432-Q461 HydrophobicContact CG-CG 4.03Å; E432-Q461 PolarHBondContact OE1-NE2 2.94Å; R457-Q461 HydrophobicContact CB-CB 4.36Å; S458-Q461 WeakPolarHBondContact OG-CG 3.37Å; S458-Q461 PolarHBondContact OG-N 3.1Å; R459-Q461 PolarHBondContact O-N 2.97Å; Q461-Y463 PolarHBondContact O-N 3.35Å; Q461-T464 PolarHBondContact O-N 3.34Å; Q461-T464 PolarHBondContact O-OG1 3.37Å; Q461-K465 HydrophobicContact CB-CB 4.26Å; Q461-K465 HydrophobicContact CB-CG 4.27Å; Q461-K465 HydrophobicContact CG-CB 4.23Å; Q461-K465 HydrophobicContact CG-CG 3.95Å
462	R	82.9	Confident	92	Very high	77 Å²	77	47.8 Å²	47.8	29%	0.291	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	41	-106.6	178.7	-64.8	-68.9	-173.6	166.6	-3.5	111.8	P387 D389 R457 R459 E460	P387-R462 VanDerWaalsContact C-NH1 3.26Å; P387-R462 VanDerWaalsContact CG-NH1 3.28Å; P387-R462 PolarHBondContact O-NH1 3.42Å; P387-R462 PolarHBondContact O-NH2 3.47Å; D389-R462 IonicContact OD1-NH2 2.71Å; D389-R462 PolarHBondContact OD1-NH2 3.27Å; R457-R462 PolarHBondContact NH1-O 3.5Å; R459-R462 WeakPolarHBondContact O-CD 3.42Å; R459-R462 WeakPolarHBondContact O-CG 3.43Å; R459-R462 PolarHBondContact O-N 3.22Å; E460-R462 PolarHBondContact O-N 3.46Å; E460-R462 VanDerWaalsContact O-N 3.09Å
463	Y	75.9	Confident	92	Very high	137 Å²	137	48.8 Å²	48.8	54%	0.537	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.1	15.1	176	-52.3	-72.3	0	0	0	113.9	R457 Q461 R511	R457-Y463 VanDerWaalsContact NH1-CA 3.29Å; Q461-Y463 PolarHBondContact O-N 3.35Å; Y463-R511 VanDerWaalsContact CD1-CZ 3.41Å
464	T	74.2	Confident	92	Very high	105 Å²	105	52.3 Å²	52.3	64%	0.644	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-15.6	-176	57.8	0	0	0	0	113.3	Q461	Q461-T464 PolarHBondContact O-N 3.34Å; Q461-T464 PolarHBondContact O-OG1 3.37Å
465	K	84.3	Confident	91.9	Very high	105 Å²	105	52.3 Å²	52.3	46%	0.457	26%	0.257	S	S	.	.	S	Bend	trans	-122.3	160	177.9	-57.8	-62.8	-174.2	176.4	0	111.1	R457 Q461	R457-K465 VanDerWaalsContact CD-O 3.25Å; R457-K465 WeakPolarHBondContact CD-O 3.08Å; Q461-K465 HydrophobicContact CB-CB 4.26Å; Q461-K465 HydrophobicContact CB-CG 4.27Å; Q461-K465 HydrophobicContact CG-CB 4.23Å; Q461-K465 HydrophobicContact CG-CG 3.95Å
466	L	90.8	Very high	91.9	Very high	111 Å²	111	52.2 Å²	52.2	58%	0.581	26%	0.258	S	S	*	.			trans	-72.7	155.2	170.5	-63.1	176.3	0	0	0	110.6	D489	L466-D489 WeakPolarHBondContact CA-OD2 3.46Å
467	A	94.2	Very high	91.9	Very high	13 Å²	13	59.8 Å²	59.8	11%	0.107	29%	0.291	C	S	.	.			trans	-69.5	133.3	170.2	0	0	0	0	0	111.5	G456 R457 W469 D489	G456-A467 CarbonylContact O-C 3.32Å; G456-A467 WeakPolarHBondContact O-CA 3.2Å; R457-A467 HydrophobicContact CG-CB 4.32Å; A467-W469 PolarHBondContact O-N 3.5Å; A467-D489 HydrophobicContact CB-CB 4.45Å; A467-D489 PolarHBondContact N-OD2 2.88Å
468	D	96.1	Very high	92	Very high	67 Å²	67	63.8 Å²	63.8	36%	0.358	31%	0.312	S	S	.	.			trans	-83.1	91.7	177.7	-173.1	-16.4	0	0	0	109.9	G456 D470 Y471 I472	G456-D468 PolarHBondContact O-N 2.86Å; D468-D470 PolarHBondContact OD1-N 3.47Å; D468-Y471 VanDerWaalsContact OD1-CB 3.3Å; D468-Y471 WeakPolarHBondContact OD1-CB 3.18Å; D468-Y471 PolarHBondContact OD1-N 2.85Å; D468-Y471 WeakPolarHBondContact OD2-CB 3.41Å; D468-I472 WeakPolarHBondContact O-CG1 3.41Å; D468-I472 PolarHBondContact O-N 2.89Å
469	W	97.2	Very high	92	Very high	45 Å²	45	63.9 Å²	63.9	17%	0.17	31%	0.313	C	S	.	.	H	α-helix	trans	-76.6	-24.3	-179.6	-79.6	98.1	0	0	0	113.2	A467 I472 S473 G488 I490 A499 T502	A467-W469 PolarHBondContact O-N 3.5Å; W469-I472 HydrophobicContact CD2-CD1 3.87Å; W469-I472 HydrophobicContact CE3-CB 4.22Å; W469-I472 HydrophobicContact CE3-CD1 3.75Å; W469-I472 HydrophobicContact CE3-CG2 4.02Å; W469-I472 HydrophobicContact CG-CD1 4.4Å; W469-I472 HydrophobicContact CH2-CD1 4.43Å; W469-I472 HydrophobicContact CZ3-CD1 4.06Å; W469-I472 HydrophobicContact CZ3-CG2 4.14Å; W469-I472 WeakPolarHBondContact O-CB 3.14Å; W469-I472 PolarHBondContact O-N 3.27Å; W469-S473 PolarHBondContact O-N 2.89Å; W469-G488 VanDerWaalsContact CZ2-O 3.27Å; W469-G488 WeakPolarHBondContact CZ2-O 3.26Å; W469-G488 PolarHBondContact NE1-O 3.13Å; W469-I490 HydrophobicContact CH2-CD1 4.09Å; W469-I490 HydrophobicContact CH2-CG1 4.46Å; W469-I490 HydrophobicContact CZ2-CD1 3.49Å; W469-I490 VanDerWaalsContact CZ2-CD1 3.49Å; W469-I490 HydrophobicContact CZ2-CG1 3.93Å; W469-A499 HydrophobicContact CD2-CB 4.29Å; W469-A499 HydrophobicContact CE3-CB 3.88Å; W469-A499 HydrophobicContact CH2-CB 3.38Å; W469-A499 HydrophobicContact CZ2-CB 3.84Å; W469-A499 HydrophobicContact CZ3-CB 3.4Å; W469-T502 HydrophobicContact CB-CG2 4.27Å; W469-T502 HydrophobicContact CE3-CG2 4.07Å
470	D	97.3	Very high	92.1	Very high	132 Å²	132	68 Å²	68	71%	0.706	34%	0.337	S	S	*	.	H	α-helix	trans	-67.7	-42.2	173.7	-63.3	-28.1	0	0	0	110.6	D468 I472 S473 T474	D468-D470 PolarHBondContact OD1-N 3.47Å; D470-I472 VanDerWaalsContact C-N 3.35Å; D470-S473 WeakPolarHBondContact O-CB 3.32Å; D470-S473 PolarHBondContact O-N 3.26Å; D470-T474 PolarHBondContact O-N 3.13Å; D470-T474 PolarHBondContact O-OG1 2.94Å; D470-T474 VanDerWaalsContact O-OG1 3.13Å
471	Y	97.3	Very high	92.2	Very high	26 Å²	26	67.1 Å²	67.1	10%	0.102	34%	0.341	C	S	.	.	H	α-helix	trans	-67	-35.6	172.8	-175.9	-104	0	0	0	112.3	T428 N435 A437 H438 L454 D468 T474 C475	T428-Y471 HydrophobicContact CG2-CD1 3.64Å; T428-Y471 HydrophobicContact CG2-CE1 3.83Å; N435-Y471 HydrophobicContact CB-CD2 4.49Å; N435-Y471 HydrophobicContact CB-CE1 4.02Å; N435-Y471 HydrophobicContact CB-CE2 3.78Å; N435-Y471 WeakPolarHBondContact CB-OH 3.34Å; A437-Y471 HydrophobicContact CB-CE1 4.12Å; A437-Y471 PolarHBondContact N-OH 3.41Å; H438-Y471 HydrophobicContact CB-CE2 4.35Å; H438-Y471 PolarHBondContact N-OH 3.03Å; H438-Y471 AromaticContact ND1-CE2 3.74Å; H438-Y471 AromaticContact ND1-CZ 3.73Å; H438-Y471 PolarHBondContact ND1-OH 3.36Å; L454-Y471 HydrophobicContact CD2-CD1 4.31Å; L454-Y471 HydrophobicContact CD2-CE1 4.22Å; D468-Y471 VanDerWaalsContact OD1-CB 3.3Å; D468-Y471 WeakPolarHBondContact OD1-CB 3.18Å; D468-Y471 PolarHBondContact OD1-N 2.85Å; D468-Y471 WeakPolarHBondContact OD2-CB 3.41Å; Y471-T474 PolarHBondContact O-N 2.97Å; Y471-C475 VanDerWaalsContact CE1-SG 3.52Å; Y471-C475 VanDerWaalsContact CZ-SG 3.54Å; Y471-C475 WeakPolarHBondContact O-CB 3.29Å; Y471-C475 PolarHBondContact O-N 2.84Å; Y471-C475 PolarHBondContact O-SG 3.46Å
472	I	98.2	Very high	92.7	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-60.5	-45.1	170.2	-70	168.4	0	0	0	110.6	L454 D468 W469 D470 T474 C475 A476 L484 V504	L454-I472 HydrophobicContact CD2-CG1 4.01Å; L454-I472 HydrophobicContact CG-CG1 4.17Å; D468-I472 WeakPolarHBondContact O-CG1 3.41Å; D468-I472 PolarHBondContact O-N 2.89Å; W469-I472 HydrophobicContact CD2-CD1 3.87Å; W469-I472 HydrophobicContact CE3-CB 4.22Å; W469-I472 HydrophobicContact CE3-CD1 3.75Å; W469-I472 HydrophobicContact CE3-CG2 4.02Å; W469-I472 HydrophobicContact CG-CD1 4.4Å; W469-I472 HydrophobicContact CH2-CD1 4.43Å; W469-I472 HydrophobicContact CZ3-CD1 4.06Å; W469-I472 HydrophobicContact CZ3-CG2 4.14Å; W469-I472 WeakPolarHBondContact O-CB 3.14Å; W469-I472 PolarHBondContact O-N 3.27Å; D470-I472 VanDerWaalsContact C-N 3.35Å; I472-T474 VanDerWaalsContact C-N 3.32Å; I472-T474 PolarHBondContact O-N 2.84Å; I472-C475 CarbonylContact O-C 3.58Å; I472-C475 PolarHBondContact O-N 3.27Å; I472-C475 VanDerWaalsContact O-N 3.14Å; I472-A476 WeakPolarHBondContact O-CB 3.45Å; I472-A476 PolarHBondContact O-N 2.84Å; I472-L484 HydrophobicContact CG2-CD2 4.02Å; I472-V504 HydrophobicContact CG2-CG1 3.48Å; I472-V504 VanDerWaalsContact CG2-CG1 3.48Å
473	S	98.1	Very high	93.3	Very high	23 Å²	23	64.7 Å²	64.7	16%	0.161	34%	0.337	C	S	.	.	H	α-helix	trans	-58.2	-44.5	177.2	-172	0	0	0	0	112.1	W469 D470 C475 A476 K477 T502	W469-S473 PolarHBondContact O-N 2.89Å; D470-S473 WeakPolarHBondContact O-CB 3.32Å; D470-S473 PolarHBondContact O-N 3.26Å; S473-C475 VanDerWaalsContact C-N 3.34Å; S473-C475 PolarHBondContact O-N 3.37Å; S473-A476 PolarHBondContact O-N 2.67Å; S473-K477 PolarHBondContact O-N 3.1Å; S473-T502 WeakPolarHBondContact CA-O 3.39Å; S473-T502 WeakPolarHBondContact CB-O 3.43Å; S473-T502 PolarHBondContact OG-O 2.86Å
474	T	97.4	Very high	94.4	Very high	75 Å²	75	58.3 Å²	58.3	46%	0.46	31%	0.312	S	S	.	.	H	α-helix	trans	-59.7	-45.7	175.2	-57.5	0	0	0	0	111.3	D470 Y471 I472 K477 L478	D470-T474 PolarHBondContact O-N 3.13Å; D470-T474 PolarHBondContact O-OG1 2.94Å; D470-T474 VanDerWaalsContact O-OG1 3.13Å; Y471-T474 PolarHBondContact O-N 2.97Å; I472-T474 VanDerWaalsContact C-N 3.32Å; I472-T474 PolarHBondContact O-N 2.84Å; T474-K477 PolarHBondContact O-N 2.84Å; T474-L478 HydrophobicContact CG2-CD1 4.5Å; T474-L478 WeakPolarHBondContact O-CG 3.38Å; T474-L478 PolarHBondContact O-N 3.07Å
475	C	97.6	Very high	95.6	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-67.5	-34.5	178.4	-70.6	0	0	0	0	112.9	I441 L454 Y471 I472 S473 K477 L478 A479 L484	I441-C475 HydrophobicContact CD1-CB 3.61Å; L454-C475 HydrophobicContact CD2-CB 3.55Å; L454-C475 VanDerWaalsContact CD2-SG 3.6Å; Y471-C475 VanDerWaalsContact CE1-SG 3.52Å; Y471-C475 VanDerWaalsContact CZ-SG 3.54Å; Y471-C475 WeakPolarHBondContact O-CB 3.29Å; Y471-C475 PolarHBondContact O-N 2.84Å; Y471-C475 PolarHBondContact O-SG 3.46Å; I472-C475 CarbonylContact O-C 3.58Å; I472-C475 PolarHBondContact O-N 3.27Å; I472-C475 VanDerWaalsContact O-N 3.14Å; S473-C475 VanDerWaalsContact C-N 3.34Å; S473-C475 PolarHBondContact O-N 3.37Å; C475-K477 VanDerWaalsContact C-N 3.34Å; C475-L478 PolarHBondContact O-N 3.16Å; C475-A479 PolarHBondContact O-N 2.91Å; C475-L484 HydrophobicContact CB-CD1 4.03Å
476	A	97.3	Very high	96.2	Very high	10 Å²	10	48.3 Å²	48.3	8%	0.083	26%	0.26	C	S	.	.	H	α-helix	trans	-61.7	-43.8	177.7	0	0	0	0	0	111	I472 S473 L478 A479 L484 V504	I472-A476 WeakPolarHBondContact O-CB 3.45Å; I472-A476 PolarHBondContact O-N 2.84Å; S473-A476 PolarHBondContact O-N 2.67Å; A476-L478 VanDerWaalsContact C-N 3.34Å; A476-L478 PolarHBondContact O-N 3.13Å; A476-A479 PolarHBondContact O-N 3.41Å; A476-L484 HydrophobicContact CB-CB 4.43Å; A476-L484 HydrophobicContact CB-CD2 4.16Å; A476-V504 HydrophobicContact CB-CG1 4.24Å
477	K	96.5	Very high	96.6	Very high	159 Å²	159	43.2 Å²	43.2	69%	0.691	23%	0.233	S	C	*	.	H	α-helix	trans	-61.5	-40.3	174.6	-65.3	173.6	-174.6	176.3	0	112.5	S473 T474 C475 A479	S473-K477 PolarHBondContact O-N 3.1Å; T474-K477 PolarHBondContact O-N 2.84Å; C475-K477 VanDerWaalsContact C-N 3.34Å; K477-A479 VanDerWaalsContact C-N 3.32Å
478	L	96	Very high	96.6	Very high	88 Å²	88	42.8 Å²	42.8	46%	0.461	23%	0.231	S	C	.	.	H	α-helix	trans	-71.2	-25.5	178.5	-69	172.5	0	0	0	113.6	H438 I441 T474 C475 A476 D480	H438-L478 HydrophobicContact CB-CD1 3.73Å; I441-L478 HydrophobicContact CG2-CB 4.44Å; T474-L478 HydrophobicContact CG2-CD1 4.5Å; T474-L478 WeakPolarHBondContact O-CG 3.38Å; T474-L478 PolarHBondContact O-N 3.07Å; C475-L478 PolarHBondContact O-N 3.16Å; A476-L478 VanDerWaalsContact C-N 3.34Å; A476-L478 PolarHBondContact O-N 3.13Å; L478-D480 VanDerWaalsContact C-N 3.3Å
479	A	95.7	Very high	96.5	Very high	2 Å²	2	40.9 Å²	40.9	2%	0.017	22%	0.22	C	C	.	.	H	α-helix	trans	-74.5	-22.1	-179.3	0	0	0	0	0	112.7	I441 C475 A476 K477 V482 L484	I441-A479 HydrophobicContact CG2-CB 3.6Å; C475-A479 PolarHBondContact O-N 2.91Å; A476-A479 PolarHBondContact O-N 3.41Å; K477-A479 VanDerWaalsContact C-N 3.32Å; A479-V482 CarbonylContact C-O 3.56Å; A479-V482 WeakPolarHBondContact CB-O 3.38Å; A479-V482 WeakPolarHBondContact O-CA 3.22Å; A479-V482 VanDerWaalsContact O-CB 3.26Å; A479-V482 WeakPolarHBondContact O-CB 3.4Å; A479-V482 PolarHBondContact O-N 2.88Å; A479-L484 HydrophobicContact CB-CB 3.89Å; A479-L484 HydrophobicContact CB-CD1 3.98Å
480	D	92.4	Very high	96.5	Very high	117 Å²	117	39 Å²	39	63%	0.626	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.4	132.2	-172.8	-171	74.7	0	0	0	113.3	K445 L478	K445-D480 PolarHBondContact NZ-O 2.81Å; K445-D480 VanDerWaalsContact NZ-O 3.15Å; L478-D480 VanDerWaalsContact C-N 3.3Å
481	P	92.5	Very high	96.4	Very high	88 Å²	88	32.9 Å²	32.9	57%	0.571	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	cis	-90.7	9.5	5	38.3	-36.6	0	0	0	114.7	K445 P483	K445-P481 VanDerWaalsContact CE-CD 3.5Å; P481-P483 WeakPolarHBondContact O-CD 3.13Å
482	V	95	Very high	96.4	Very high	22 Å²	22	31.7 Å²	31.7	13%	0.133	18%	0.176	C	C	.	.	S	Bend	trans	-70.9	124	177	-178.4	0	0	0	0	109	K445 A479 L484	K445-V482 HydrophobicContact CB-CG2 4.08Å; K445-V482 HydrophobicContact CG-CG2 4.02Å; A479-V482 CarbonylContact C-O 3.56Å; A479-V482 WeakPolarHBondContact CB-O 3.38Å; A479-V482 WeakPolarHBondContact O-CA 3.22Å; A479-V482 VanDerWaalsContact O-CB 3.26Å; A479-V482 WeakPolarHBondContact O-CB 3.4Å; A479-V482 PolarHBondContact O-N 2.88Å; V482-L484 PolarHBondContact O-N 3.13Å
483	P	96.6	Very high	96.3	Very high	34 Å²	34	34 Å²	34	22%	0.221	19%	0.185	C	C	.	.			trans	-57.3	132.4	178.9	-26.5	34.6	0	0	0	112.5	F293 S450 M451 V452 P481 S505	F293-P483 HydrophobicContact CB-CB 4.31Å; S450-P483 WeakPolarHBondContact O-CD 3.4Å; M451-P483 WeakPolarHBondContact CA-O 3.46Å; M451-P483 HydrophobicContact CG-CB 4.25Å; M451-P483 WeakPolarHBondContact CG-O 3.31Å; V452-P483 PolarHBondContact N-O 2.9Å; P481-P483 WeakPolarHBondContact O-CD 3.13Å; P483-S505 VanDerWaalsContact CA-OG 3.31Å; P483-S505 WeakPolarHBondContact CA-OG 3.42Å
484	L	98.1	Very high	96.3	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	124.7	173.7	-170.5	144.3	0	0	0	111.1	I441 V452 L454 I472 C475 A476 A479 V482 V504 S505	I441-L484 HydrophobicContact CD1-CD1 3.83Å; V452-L484 CarbonylContact O-C 3.47Å; V452-L484 VanDerWaalsContact O-CA 3.27Å; V452-L484 WeakPolarHBondContact O-CA 3.23Å; L454-L484 HydrophobicContact CB-CD1 4.39Å; L454-L484 HydrophobicContact CB-CD2 4.28Å; I472-L484 HydrophobicContact CG2-CD2 4.02Å; C475-L484 HydrophobicContact CB-CD1 4.03Å; A476-L484 HydrophobicContact CB-CB 4.43Å; A476-L484 HydrophobicContact CB-CD2 4.16Å; A479-L484 HydrophobicContact CB-CB 3.89Å; A479-L484 HydrophobicContact CB-CD1 3.98Å; V482-L484 PolarHBondContact O-N 3.13Å; L484-V504 HydrophobicContact CD2-CG1 3.88Å; L484-V504 CarbonylContact O-C 3.57Å; L484-V504 WeakPolarHBondContact O-CA 3.39Å; L484-V504 WeakPolarHBondContact O-CB 3.4Å; L484-S505 PolarHBondContact N-OG 3.38Å; L484-S505 PolarHBondContact O-N 3.3Å
485	F	98.6	Very high	96.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	127.4	173.8	-88	52.2	0	0	0	110.8	F293 K296 Y298 I321 M451 V452 T453 L454 G506	F293-F485 HydrophobicContact CB-CE1 3.85Å; F293-F485 HydrophobicContact CB-CZ 4.25Å; F293-F485 VanDerWaalsContact O-CE1 3.25Å; F293-F485 WeakPolarHBondContact O-CE1 3.47Å; F293-F485 WeakPolarHBondContact O-CZ 3.12Å; K296-F485 HydrophobicContact CB-CZ 4.19Å; K296-F485 WeakPolarHBondContact O-CE2 3.06Å; Y298-F485 HydrophobicContact CD1-CD2 4.07Å; Y298-F485 HydrophobicContact CD1-CE2 4.28Å; Y298-F485 HydrophobicContact CG-CE2 4.48Å; I321-F485 HydrophobicContact CD1-CE2 4.29Å; I321-F485 HydrophobicContact CD1-CZ 4.15Å; M451-F485 HydrophobicContact CG-CD1 3.96Å; M451-F485 HydrophobicContact CG-CE1 4.37Å; M451-F485 HydrophobicContact SD-CD1 3.39Å; M451-F485 WeakPolarHBondContact SD-CD1 3.45Å; M451-F485 HydrophobicContact SD-CD2 4.49Å; M451-F485 HydrophobicContact SD-CE1 3.52Å; M451-F485 VanDerWaalsContact SD-CE1 3.52Å; M451-F485 HydrophobicContact SD-CG 3.93Å; M451-F485 HydrophobicContact SD-CZ 4.12Å; V452-F485 PolarHBondContact O-N 3.36Å; T453-F485 WeakPolarHBondContact CA-O 3.16Å; T453-F485 HydrophobicContact CG2-CB 4.17Å; L454-F485 PolarHBondContact N-O 2.84Å; F485-G506 WeakPolarHBondContact CA-O 3.42Å
486	G	98.4	Very high	96.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	138.8	171.6	0	0	0	0	0	111.6	G506 M508	G486-G506 PolarHBondContact N-O 3.43Å; G486-G506 VanDerWaalsContact N-O 3.13Å; G486-M508 PolarHBondContact O-N 2.98Å
487	N	98.1	Very high	96.2	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.021	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	128.4	177.1	-179.9	-127.7	0	0	0	111.8	K425 T453 L454 H455 G456 M508	K425-N487 PolarHBondContact NZ-OD1 3.49Å; T453-N487 HydrophobicContact CG2-CB 3.9Å; L454-N487 PolarHBondContact O-N 3.5Å; H455-N487 VanDerWaalsContact CA-O 3.29Å; H455-N487 WeakPolarHBondContact CA-O 3.49Å; H455-N487 HydrophobicContact CB-CB 4.4Å; H455-N487 PolarHBondContact CD2-O 2.77Å; G456-N487 PolarHBondContact N-O 3.24Å; N487-M508 HydrophobicContact CB-CB 4.12Å; N487-M508 PolarHBondContact ND2-O 3.01Å
488	G	95	Very high	96.2	Very high	5 Å²	5	34.6 Å²	34.6	5%	0.052	18%	0.184	C	C	.	.	S	Bend	trans	145.1	129.4	172.1	0	0	0	0	0	112.2	W469 I490	W469-G488 VanDerWaalsContact CZ2-O 3.27Å; W469-G488 WeakPolarHBondContact CZ2-O 3.26Å; W469-G488 PolarHBondContact NE1-O 3.13Å; G488-I490 PolarHBondContact O-N 3.23Å
489	D	94.1	Very high	96.2	Very high	26 Å²	26	30.5 Å²	30.5	14%	0.139	16%	0.163	C	C	.	.			trans	58.9	20.2	163.3	-55.5	-24.5	0	0	0	117.5	R457 L466 A467 L491 R511 I588	R457-D489 IonicContact CZ-OD1 3.05Å; R457-D489 IonicContact NH2-OD1 2.77Å; L466-D489 WeakPolarHBondContact CA-OD2 3.46Å; A467-D489 HydrophobicContact CB-CB 4.45Å; A467-D489 PolarHBondContact N-OD2 2.88Å; D489-L491 PolarHBondContact O-N 3.42Å; D489-R511 IonicContact OD1-CZ 2.81Å; D489-R511 IonicContact OD1-NH2 2.8Å; D489-R511 PolarHBondContact OD1-NH2 2.8Å; D489-I588 HydrophobicContact CB-CG2 3.71Å
490	I	96.4	Very high	96.2	Very high	7 Å²	7	35 Å²	35	4%	0.036	18%	0.182	C	C	.	.			trans	-74.5	112.5	167.4	-52.9	-58.1	0	0	0	109.7	W469 G488 D495 A496 A499 I507 I509 G512 I523	W469-I490 HydrophobicContact CH2-CD1 4.09Å; W469-I490 HydrophobicContact CH2-CG1 4.46Å; W469-I490 HydrophobicContact CZ2-CD1 3.49Å; W469-I490 VanDerWaalsContact CZ2-CD1 3.49Å; W469-I490 HydrophobicContact CZ2-CG1 3.93Å; G488-I490 PolarHBondContact O-N 3.23Å; I490-D495 HydrophobicContact CD1-CB 3.87Å; I490-D495 WeakPolarHBondContact CD1-O 3.48Å; I490-D495 HydrophobicContact CG2-CB 4.32Å; I490-A496 HydrophobicContact CG2-CB 4.22Å; I490-A499 HydrophobicContact CD1-CB 3.8Å; I490-I507 HydrophobicContact CD1-CG2 4.46Å; I490-I507 HydrophobicContact CG1-CG2 3.83Å; I490-I509 HydrophobicContact CG2-CG1 4.34Å; I490-G512 WeakPolarHBondContact O-CA 3.46Å; I490-I523 HydrophobicContact CG2-CD1 4.3Å
491	L	95.5	Very high	96.4	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.016	19%	0.185	C	C	.	.			trans	-126.5	-6	175.8	-171.3	57.9	0	0	0	112.9	D489 D495 I515 K516 Q586 I588	D489-L491 PolarHBondContact O-N 3.42Å; L491-D495 PolarHBondContact N-OD2 3.25Å; L491-I515 HydrophobicContact CD1-CB 4.18Å; L491-I515 HydrophobicContact CD1-CD1 3.89Å; L491-I515 HydrophobicContact CD1-CG2 4.2Å; L491-K516 WeakPolarHBondContact O-CE 3.47Å; L491-K516 PolarHBondContact O-NZ 3.33Å; L491-Q586 HydrophobicContact CD2-CB 4.46Å; L491-Q586 HydrophobicContact CD2-CG 4.23Å; L491-Q586 WeakPolarHBondContact CD2-O 3.44Å; L491-I588 HydrophobicContact CD1-CD1 4.35Å; L491-I588 HydrophobicContact CD2-CB 4.36Å; L491-I588 HydrophobicContact CD2-CD1 4.1Å
492	S	96.5	Very high	96.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	-144.3	168.8	-179.6	62	0	0	0	0	112	E494 D495 A496 P585	S492-E494 VanDerWaalsContact C-N 3.3Å; S492-E494 WeakPolarHBondContact CB-OE2 3.46Å; S492-E494 PolarHBondContact OG-OE2 3.47Å; S492-D495 PolarHBondContact N-OD2 3.47Å; S492-D495 PolarHBondContact O-N 2.87Å; S492-D495 PolarHBondContact OG-N 3.44Å; S492-D495 PolarHBondContact OG-OD2 2.83Å; S492-A496 PolarHBondContact O-N 3.08Å; S492-P585 VanDerWaalsContact CB-CB 3.47Å
493	Y	97.3	Very high	96.6	Very high	50 Å²	50	34.8 Å²	34.8	20%	0.196	19%	0.185	C	C	.	.	H	α-helix	trans	-68.2	-32.8	174.1	80.6	-87.5	0	0	0	111.4	D495 A496 V497 E522 S526 R527 H528	Y493-D495 VanDerWaalsContact C-N 3.35Å; Y493-D495 PolarHBondContact O-N 3.09Å; Y493-A496 CarbonylContact O-C 3.15Å; Y493-A496 WeakPolarHBondContact O-CA 3.34Å; Y493-A496 WeakPolarHBondContact O-CB 3.29Å; Y493-A496 PolarHBondContact O-N 3.2Å; Y493-A496 VanDerWaalsContact O-N 3.09Å; Y493-V497 HydrophobicContact CD2-CG2 4.38Å; Y493-V497 WeakPolarHBondContact O-CG2 3.38Å; Y493-V497 PolarHBondContact O-N 3.12Å; Y493-E522 VanDerWaalsContact CB-O 3.29Å; Y493-E522 WeakPolarHBondContact CB-O 3.32Å; Y493-S526 VanDerWaalsContact CD2-C 3.46Å; Y493-S526 WeakPolarHBondContact CE2-O 3.47Å; Y493-R527 VanDerWaalsContact CD1-C 3.42Å; Y493-H528 AromaticContact CD1-CE1 3.77Å; Y493-H528 AromaticContact CD1-ND1 3.76Å; Y493-H528 AromaticContact CE1-CD2 3.74Å; Y493-H528 AromaticContact CE1-CE1 3.49Å; Y493-H528 VanDerWaalsContact CE1-CE1 3.49Å; Y493-H528 WeakPolarHBondContact CE1-CE1 3.31Å; Y493-H528 AromaticContact CE1-CG 3.85Å; Y493-H528 AromaticContact CE1-ND1 3.7Å; Y493-H528 AromaticContact CE1-NE2 3.55Å
494	E	97.3	Very high	96.6	Very high	40 Å²	40	33.7 Å²	33.7	19%	0.187	18%	0.178	C	C	.	.	H	α-helix	trans	-63.5	-39.9	174.6	-64.4	90.4	158.4	0	0	112.1	S492 A496 V497 K498 H528	S492-E494 VanDerWaalsContact C-N 3.3Å; S492-E494 WeakPolarHBondContact CB-OE2 3.46Å; S492-E494 PolarHBondContact OG-OE2 3.47Å; E494-A496 PolarHBondContact O-N 3.28Å; E494-V497 PolarHBondContact O-N 2.76Å; E494-K498 WeakPolarHBondContact O-CG 3.35Å; E494-K498 PolarHBondContact O-N 2.91Å; E494-H528 VanDerWaalsContact CD-CE1 3.46Å; E494-H528 IonicContact OE1-CD2 3.37Å; E494-H528 IonicContact OE1-CE1 3.83Å; E494-H528 PolarHBondContact OE1-CE1 3.41Å; E494-H528 VanDerWaalsContact OE1-CE1 3.26Å; E494-H528 IonicContact OE1-NE2 2.62Å; E494-H528 PolarHBondContact OE1-NE2 3.02Å; E494-H528 IonicContact OE2-CE1 3.55Å; E494-H528 PolarHBondContact OE2-CE1 3.14Å; E494-H528 IonicContact OE2-ND1 2.92Å; E494-H528 IonicContact OE2-NE2 2.67Å; E494-H528 PolarHBondContact OE2-NE2 3.09Å
495	D	96.8	Very high	96.6	Very high	42 Å²	42	35.4 Å²	35.4	23%	0.225	19%	0.189	C	C	.	.	H	α-helix	trans	-60.3	-40.1	173.3	-61.6	-42.1	0	0	0	110.4	I490 L491 S492 Y493 A499	I490-D495 HydrophobicContact CD1-CB 3.87Å; I490-D495 WeakPolarHBondContact CD1-O 3.48Å; I490-D495 HydrophobicContact CG2-CB 4.32Å; L491-D495 PolarHBondContact N-OD2 3.25Å; S492-D495 PolarHBondContact N-OD2 3.47Å; S492-D495 PolarHBondContact O-N 2.87Å; S492-D495 PolarHBondContact OG-N 3.44Å; S492-D495 PolarHBondContact OG-OD2 2.83Å; Y493-D495 VanDerWaalsContact C-N 3.35Å; Y493-D495 PolarHBondContact O-N 3.09Å; D495-A499 VanDerWaalsContact O-CB 3.23Å; D495-A499 WeakPolarHBondContact O-CB 3.44Å; D495-A499 PolarHBondContact O-N 2.87Å
496	A	97	Very high	96.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-69.9	-39.2	178.6	0	0	0	0	0	112.4	I490 S492 Y493 E494 A499 K500 I507 I523	I490-A496 HydrophobicContact CG2-CB 4.22Å; S492-A496 PolarHBondContact O-N 3.08Å; Y493-A496 CarbonylContact O-C 3.15Å; Y493-A496 WeakPolarHBondContact O-CA 3.34Å; Y493-A496 WeakPolarHBondContact O-CB 3.29Å; Y493-A496 PolarHBondContact O-N 3.2Å; Y493-A496 VanDerWaalsContact O-N 3.09Å; E494-A496 PolarHBondContact O-N 3.28Å; A496-A499 PolarHBondContact O-N 3.07Å; A496-K500 WeakPolarHBondContact O-CG 3.07Å; A496-K500 PolarHBondContact O-N 3.08Å; A496-I507 HydrophobicContact CB-CD1 3.89Å; A496-I507 WeakPolarHBondContact O-CD1 3.41Å; A496-I523 HydrophobicContact CB-CB 4.4Å; A496-I523 HydrophobicContact CB-CD1 3.66Å; A496-I523 HydrophobicContact CB-CG1 3.59Å; A496-I523 HydrophobicContact CB-CG2 3.88Å
497	V	96.6	Very high	96.5	Very high	61 Å²	61	35.7 Å²	35.7	37%	0.37	19%	0.193	S	C	.	.	H	α-helix	trans	-60.7	-51.2	174.7	170.1	0	0	0	0	110.1	Y493 E494 A499 K500 E501	Y493-V497 HydrophobicContact CD2-CG2 4.38Å; Y493-V497 WeakPolarHBondContact O-CG2 3.38Å; Y493-V497 PolarHBondContact O-N 3.12Å; E494-V497 PolarHBondContact O-N 2.76Å; V497-A499 VanDerWaalsContact C-N 3.28Å; V497-A499 PolarHBondContact O-N 2.99Å; V497-K500 WeakPolarHBondContact O-CB 3.45Å; V497-K500 PolarHBondContact O-N 3.36Å; V497-E501 PolarHBondContact O-N 3.02Å
498	K	96.4	Very high	96.6	Very high	135 Å²	135	35.5 Å²	35.5	59%	0.587	19%	0.192	S	C	*	.	H	α-helix	trans	-58.9	-39.8	175.6	-70.7	174.4	-177.3	174.7	0	112.4	E494 E501	E494-K498 WeakPolarHBondContact O-CG 3.35Å; E494-K498 PolarHBondContact O-N 2.91Å; K498-E501 WeakPolarHBondContact O-CB 3.32Å; K498-E501 PolarHBondContact O-N 2.63Å
499	A	97	Very high	96.7	Very high	2 Å²	2	35.3 Å²	35.3	2%	0.017	19%	0.189	C	C	.	.	H	α-helix	trans	-63.5	-40.2	175.3	0	0	0	0	0	112.2	W469 I490 D495 A496 V497 E501 T502 V504 I507	W469-A499 HydrophobicContact CD2-CB 4.29Å; W469-A499 HydrophobicContact CE3-CB 3.88Å; W469-A499 HydrophobicContact CH2-CB 3.38Å; W469-A499 HydrophobicContact CZ2-CB 3.84Å; W469-A499 HydrophobicContact CZ3-CB 3.4Å; I490-A499 HydrophobicContact CD1-CB 3.8Å; D495-A499 VanDerWaalsContact O-CB 3.23Å; D495-A499 WeakPolarHBondContact O-CB 3.44Å; D495-A499 PolarHBondContact O-N 2.87Å; A496-A499 PolarHBondContact O-N 3.07Å; V497-A499 VanDerWaalsContact C-N 3.28Å; V497-A499 PolarHBondContact O-N 2.99Å; A499-E501 VanDerWaalsContact C-N 3.28Å; A499-E501 PolarHBondContact O-N 2.93Å; A499-T502 WeakPolarHBondContact O-CB 3.28Å; A499-T502 PolarHBondContact O-N 2.79Å; A499-T502 VanDerWaalsContact O-N 3.14Å; A499-T502 PolarHBondContact O-OG1 3.01Å; A499-V504 WeakPolarHBondContact O-CG2 3.23Å; A499-I507 HydrophobicContact CB-CD1 3.64Å; A499-I507 HydrophobicContact CB-CG1 4.25Å
500	K	95.6	Very high	96.8	Very high	96 Å²	96	35.3 Å²	35.3	42%	0.417	19%	0.193	S	C	.	.	H	α-helix	trans	-62.2	-34.4	176.5	-73.8	179.7	-179.5	-175.3	0	112.4	A496 V497 T502 G503 I507	A496-K500 WeakPolarHBondContact O-CG 3.07Å; A496-K500 PolarHBondContact O-N 3.08Å; V497-K500 WeakPolarHBondContact O-CB 3.45Å; V497-K500 PolarHBondContact O-N 3.36Å; K500-T502 PolarHBondContact O-N 2.91Å; K500-T502 VanDerWaalsContact O-N 3.1Å; K500-G503 PolarHBondContact O-N 3.31Å; K500-I507 HydrophobicContact CG-CD1 3.79Å
501	E	95.6	Very high	96.7	Very high	149 Å²	149	36.8 Å²	36.8	70%	0.696	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-18.3	176.3	-65.3	169.4	174.7	0	0	113.2	V497 K498 A499 G503	V497-E501 PolarHBondContact O-N 3.02Å; K498-E501 WeakPolarHBondContact O-CB 3.32Å; K498-E501 PolarHBondContact O-N 2.63Å; A499-E501 VanDerWaalsContact C-N 3.28Å; A499-E501 PolarHBondContact O-N 2.93Å; E501-G503 PolarHBondContact O-N 2.92Å
502	T	96.1	Very high	96.7	Very high	18 Å²	18	36.7 Å²	36.7	11%	0.11	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-6.9	177.7	68.9	0	0	0	0	114.5	W469 S473 A499 K500 V504	W469-T502 HydrophobicContact CB-CG2 4.27Å; W469-T502 HydrophobicContact CE3-CG2 4.07Å; S473-T502 WeakPolarHBondContact CA-O 3.39Å; S473-T502 WeakPolarHBondContact CB-O 3.43Å; S473-T502 PolarHBondContact OG-O 2.86Å; A499-T502 WeakPolarHBondContact O-CB 3.28Å; A499-T502 PolarHBondContact O-N 2.79Å; A499-T502 VanDerWaalsContact O-N 3.14Å; A499-T502 PolarHBondContact O-OG1 3.01Å; K500-T502 PolarHBondContact O-N 2.91Å; K500-T502 VanDerWaalsContact O-N 3.1Å; T502-V504 WeakPolarHBondContact OG1-CG1 3.39Å
503	G	94.8	Very high	96.8	Very high	56 Å²	56	36.7 Å²	36.7	58%	0.577	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	85	12.2	-178.7	0	0	0	0	0	114.5	K500 E501	K500-G503 PolarHBondContact O-N 3.31Å; E501-G503 PolarHBondContact O-N 2.92Å
504	V	97.8	Very high	96.8	Very high	12 Å²	12	34.6 Å²	34.6	7%	0.073	19%	0.19	C	C	.	.			trans	-66.6	144.4	171.9	-66.4	0	0	0	0	111	I472 A476 L484 A499 T502 G506 I507	I472-V504 HydrophobicContact CG2-CG1 3.48Å; I472-V504 VanDerWaalsContact CG2-CG1 3.48Å; A476-V504 HydrophobicContact CB-CG1 4.24Å; L484-V504 HydrophobicContact CD2-CG1 3.88Å; L484-V504 CarbonylContact O-C 3.57Å; L484-V504 WeakPolarHBondContact O-CA 3.39Å; L484-V504 WeakPolarHBondContact O-CB 3.4Å; A499-V504 WeakPolarHBondContact O-CG2 3.23Å; T502-V504 WeakPolarHBondContact OG1-CG1 3.39Å; V504-G506 PolarHBondContact O-N 2.69Å; V504-I507 HydrophobicContact CG2-CG1 4.33Å
505	S	97.4	Very high	96.8	Very high	37 Å²	37	32.7 Å²	32.7	26%	0.259	18%	0.181	S	C	.	.	S	Bend	trans	-74.8	-15.6	178.9	-47.1	0	0	0	0	113.2	D295 P483 L484	D295-S505 PolarHBondContact N-O 3.47Å; P483-S505 VanDerWaalsContact CA-OG 3.31Å; P483-S505 WeakPolarHBondContact CA-OG 3.42Å; L484-S505 PolarHBondContact N-OG 3.38Å; L484-S505 PolarHBondContact O-N 3.3Å
506	G	97.8	Very high	96.8	Very high	6 Å²	6	31.3 Å²	31.3	6%	0.062	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.8	175.6	179.4	0	0	0	0	0	111.5	F485 G486 V504	F485-G506 WeakPolarHBondContact CA-O 3.42Å; G486-G506 PolarHBondContact N-O 3.43Å; G486-G506 VanDerWaalsContact N-O 3.13Å; V504-G506 PolarHBondContact O-N 2.69Å
507	I	98.4	Very high	96.8	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	128.8	-174.6	-63.1	173.2	0	0	0	109.4	K296 Y298 I490 A496 A499 K500 V504 I509	K296-I507 PolarHBondContact O-N 3.35Å; Y298-I507 PolarHBondContact N-O 3.35Å; I490-I507 HydrophobicContact CD1-CG2 4.46Å; I490-I507 HydrophobicContact CG1-CG2 3.83Å; A496-I507 HydrophobicContact CB-CD1 3.89Å; A496-I507 WeakPolarHBondContact O-CD1 3.41Å; A499-I507 HydrophobicContact CB-CD1 3.64Å; A499-I507 HydrophobicContact CB-CG1 4.25Å; K500-I507 HydrophobicContact CG-CD1 3.79Å; V504-I507 HydrophobicContact CG2-CG1 4.33Å; I507-I509 HydrophobicContact CG2-CG1 3.99Å
508	M	98.6	Very high	96.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	123.5	169.3	-177.1	-169.4	-78.9	0	0	110.9	Y298 A300 K425 T453 G486 N487	Y298-M508 HydrophobicContact CD1-CB 4.48Å; Y298-M508 HydrophobicContact CD1-CE 3.34Å; Y298-M508 HydrophobicContact CD1-CG 4.4Å; Y298-M508 HydrophobicContact CD2-CE 4.37Å; Y298-M508 HydrophobicContact CE1-CE 3.13Å; Y298-M508 HydrophobicContact CE2-CE 4.19Å; Y298-M508 HydrophobicContact CG-CE 3.96Å; Y298-M508 HydrophobicContact CG-CG 4.28Å; Y298-M508 CarbonylContact O-C 3.53Å; Y298-M508 WeakPolarHBondContact O-CA 3.16Å; Y298-M508 WeakPolarHBondContact O-CG 3.44Å; A300-M508 HydrophobicContact CB-CG 3.65Å; A300-M508 HydrophobicContact CB-SD 3.56Å; A300-M508 VanDerWaalsContact CB-SD 3.56Å; K425-M508 HydrophobicContact CD-CE 4.25Å; K425-M508 HydrophobicContact CD-SD 4.07Å; K425-M508 WeakPolarHBondContact CE-SD 3.45Å; T453-M508 HydrophobicContact CG2-CB 4.09Å; T453-M508 HydrophobicContact CG2-CE 3.66Å; T453-M508 HydrophobicContact CG2-SD 3.76Å; G486-M508 PolarHBondContact O-N 2.98Å; N487-M508 HydrophobicContact CB-CB 4.12Å; N487-M508 PolarHBondContact ND2-O 3.01Å
509	I	98.4	Very high	97	Very high	1 Å²	1	22 Å²	22	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	128	-176.1	-52.1	176.3	0	0	0	109.5	Y298 A300 I490 I507 A513 I519 F520 I523	Y298-I509 PolarHBondContact O-N 2.66Å; A300-I509 WeakPolarHBondContact CB-O 3.44Å; A300-I509 PolarHBondContact N-O 2.9Å; I490-I509 HydrophobicContact CG2-CG1 4.34Å; I507-I509 HydrophobicContact CG2-CG1 3.99Å; I509-A513 HydrophobicContact CG2-CB 4.12Å; I509-I519 HydrophobicContact CG2-CG2 4.06Å; I509-F520 HydrophobicContact CB-CE1 4.2Å; I509-F520 HydrophobicContact CB-CZ 4.25Å; I509-F520 HydrophobicContact CD1-CD1 3.89Å; I509-F520 HydrophobicContact CD1-CE1 3.7Å; I509-F520 HydrophobicContact CD1-CZ 4.42Å; I509-F520 HydrophobicContact CG1-CE1 4.3Å; I509-I523 HydrophobicContact CD1-CD1 3.27Å; I509-I523 HydrophobicContact CG1-CD1 4.48Å
510	A	95.4	Very high	97.1	Very high	25 Å²	25	21.9 Å²	21.9	21%	0.207	13%	0.126	C	C	.	.	S	Bend	trans	-115.4	-94.8	-176.5	0	0	0	0	0	111.6	A300 L302 G512 A513 L514	A300-A510 HydrophobicContact CB-CB 3.71Å; L302-A510 HydrophobicContact CD2-CB 3.96Å; A510-G512 VanDerWaalsContact C-N 3.27Å; A510-G512 PolarHBondContact O-N 3.18Å; A510-A513 PolarHBondContact O-N 2.91Å; A510-L514 PolarHBondContact O-N 2.8Å
511	R	94.5	Very high	97.2	Very high	39 Å²	39	18.2 Å²	18.2	15%	0.147	11%	0.112	C	C	.	.	H	α-helix	trans	-63.3	-30.5	-177.5	-70.2	177.7	-66.5	176.9	0.9	113.3	R457 Y463 D489 A513 L514 I515 I588	R457-R511 VanDerWaalsContact NH2-NH2 3.14Å; Y463-R511 VanDerWaalsContact CD1-CZ 3.41Å; D489-R511 IonicContact OD1-CZ 2.81Å; D489-R511 IonicContact OD1-NH2 2.8Å; D489-R511 PolarHBondContact OD1-NH2 2.8Å; R511-A513 VanDerWaalsContact C-N 3.28Å; R511-A513 PolarHBondContact O-N 3.28Å; R511-L514 PolarHBondContact O-N 2.92Å; R511-L514 VanDerWaalsContact O-N 3.16Å; R511-I515 WeakPolarHBondContact O-CG1 3.32Å; R511-I515 PolarHBondContact O-N 2.76Å; R511-I588 HydrophobicContact CB-CD1 4.1Å
512	G	96.3	Very high	97.3	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.01	8%	0.079	C	C	.	.	H	α-helix	trans	-54.8	-45.6	174.2	0	0	0	0	0	111.9	I490 A510 L514 I515 K516	I490-G512 WeakPolarHBondContact O-CA 3.46Å; A510-G512 VanDerWaalsContact C-N 3.27Å; A510-G512 PolarHBondContact O-N 3.18Å; G512-L514 PolarHBondContact O-N 2.86Å; G512-I515 PolarHBondContact O-N 3.17Å; G512-K516 PolarHBondContact O-N 3.25Å
513	A	97.9	Very high	97.5	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-67	-36.1	177.1	0	0	0	0	0	112.8	L299 F310 I509 A510 R511 I515 K516 P517 I519 F520	L299-A513 HydrophobicContact CD1-CB 3.69Å; F310-A513 HydrophobicContact CZ-CB 4.47Å; F310-A513 WeakPolarHBondContact CZ-O 3.36Å; I509-A513 HydrophobicContact CG2-CB 4.12Å; A510-A513 PolarHBondContact O-N 2.91Å; R511-A513 VanDerWaalsContact C-N 3.28Å; R511-A513 PolarHBondContact O-N 3.28Å; A513-I515 VanDerWaalsContact C-N 3.34Å; A513-K516 CarbonylContact O-C 3.09Å; A513-K516 VanDerWaalsContact O-C 3.32Å; A513-P517 WeakPolarHBondContact O-CA 3.5Å; A513-P517 WeakPolarHBondContact O-CD 3.24Å; A513-P517 VanDerWaalsContact O-N 3.12Å; A513-I519 HydrophobicContact CB-CG2 4.22Å; A513-F520 HydrophobicContact CB-CE2 3.81Å; A513-F520 HydrophobicContact CB-CZ 4.1Å
514	L	97.2	Very high	97.6	Very high	5 Å²	5	13 Å²	13	3%	0.026	7%	0.07	C	C	.	.	H	α-helix	trans	-68.1	-32.7	175.3	-69.6	172.9	0	0	0	112.9	L302 C305 F310 A510 R511 G512 W568 F571	L302-L514 HydrophobicContact CD1-CD1 4.04Å; L302-L514 HydrophobicContact CD1-CD2 4.04Å; L302-L514 HydrophobicContact CD1-CG 3.81Å; L302-L514 HydrophobicContact CD2-CD1 4.05Å; C305-L514 HydrophobicContact CB-CD1 4.36Å; C305-L514 HydrophobicContact CB-CD2 3.38Å; F310-L514 HydrophobicContact CD1-CD2 4.37Å; F310-L514 HydrophobicContact CE1-CD2 3.73Å; F310-L514 HydrophobicContact CE1-CG 4.5Å; F310-L514 HydrophobicContact CE2-CD2 4.13Å; F310-L514 HydrophobicContact CZ-CD2 3.61Å; F310-L514 HydrophobicContact CZ-CG 4.31Å; A510-L514 PolarHBondContact O-N 2.8Å; R511-L514 PolarHBondContact O-N 2.92Å; R511-L514 VanDerWaalsContact O-N 3.16Å; G512-L514 PolarHBondContact O-N 2.86Å; L514-W568 PolarHBondContact O-NE1 3.49Å; L514-F571 HydrophobicContact CB-CB 3.76Å; L514-F571 HydrophobicContact CB-CD1 4.14Å; L514-F571 HydrophobicContact CB-CG 3.93Å; L514-F571 HydrophobicContact CD1-CD1 3.9Å; L514-F571 HydrophobicContact CD1-CD2 4.19Å; L514-F571 HydrophobicContact CD1-CE1 3.94Å; L514-F571 HydrophobicContact CD1-CE2 4.23Å; L514-F571 HydrophobicContact CD1-CG 4.03Å; L514-F571 HydrophobicContact CD1-CZ 4.11Å
515	I	96.6	Very high	97.6	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-76.9	-44.9	177.3	-67	169.3	0	0	0	109.9	L491 R511 G512 A513 R574 I588	L491-I515 HydrophobicContact CD1-CB 4.18Å; L491-I515 HydrophobicContact CD1-CD1 3.89Å; L491-I515 HydrophobicContact CD1-CG2 4.2Å; R511-I515 WeakPolarHBondContact O-CG1 3.32Å; R511-I515 PolarHBondContact O-N 2.76Å; G512-I515 PolarHBondContact O-N 3.17Å; A513-I515 VanDerWaalsContact C-N 3.34Å; I515-R574 HydrophobicContact CD1-CB 4.3Å; I515-R574 HydrophobicContact CG1-CB 4.25Å; I515-R574 HydrophobicContact CG2-CB 4.46Å; I515-I588 HydrophobicContact CD1-CD1 3.85Å
516	K	96.7	Very high	97.6	Very high	13 Å²	13	18.3 Å²	18.3	6%	0.057	10%	0.098	C	C	.	.			trans	-146.8	103.1	178	47.3	168.2	-177.5	177.9	0	111.7	L491 G512 A513 W518 I519 E522 Y575	L491-K516 WeakPolarHBondContact O-CE 3.47Å; L491-K516 PolarHBondContact O-NZ 3.33Å; G512-K516 PolarHBondContact O-N 3.25Å; A513-K516 CarbonylContact O-C 3.09Å; A513-K516 VanDerWaalsContact O-C 3.32Å; K516-W518 HydrophobicContact CB-CD2 3.85Å; K516-W518 VanDerWaalsContact CB-CE2 3.41Å; K516-W518 HydrophobicContact CB-CE3 4.27Å; K516-W518 HydrophobicContact CB-CG 4.44Å; K516-W518 HydrophobicContact CB-CH2 3.89Å; K516-W518 HydrophobicContact CB-CZ2 3.44Å; K516-W518 VanDerWaalsContact CB-CZ2 3.44Å; K516-W518 HydrophobicContact CB-CZ3 4.3Å; K516-W518 PolarHBondContact O-N 3.19Å; K516-W518 VanDerWaalsContact O-N 3.17Å; K516-I519 HydrophobicContact CG-CB 4.36Å; K516-I519 WeakPolarHBondContact O-CB 3.44Å; K516-I519 VanDerWaalsContact O-CG2 3.23Å; K516-I519 WeakPolarHBondContact O-CG2 3.44Å; K516-I519 PolarHBondContact O-N 3Å; K516-E522 WeakPolarHBondContact CE-OE2 3.4Å; K516-E522 IonicContact NZ-OE1 2.83Å; K516-E522 PolarHBondContact NZ-OE1 3.13Å; K516-E522 IonicContact NZ-OE2 3.3Å; K516-E522 PolarHBondContact NZ-OE2 3.15Å; K516-Y575 HydrophobicContact CB-CD2 4.19Å; K516-Y575 HydrophobicContact CD-CD2 4.13Å; K516-Y575 HydrophobicContact CD-CE2 4.03Å; K516-Y575 HydrophobicContact CG-CD2 4.41Å
517	P	98.1	Very high	97.6	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-27.9	179.4	-26.5	33.9	0	0	0	114.1	F310 V313 F317 A513 I519 F520 W568	F310-P517 HydrophobicContact CE2-CG 4.12Å; V313-P517 HydrophobicContact CG1-CB 3.96Å; V313-P517 HydrophobicContact CG1-CG 4.1Å; F317-P517 WeakPolarHBondContact CB-O 3.29Å; F317-P517 HydrophobicContact CD2-CB 3.72Å; F317-P517 HydrophobicContact CE2-CB 4.15Å; A513-P517 WeakPolarHBondContact O-CA 3.5Å; A513-P517 WeakPolarHBondContact O-CD 3.24Å; A513-P517 VanDerWaalsContact O-N 3.12Å; P517-I519 PolarHBondContact O-N 3.22Å; P517-I519 VanDerWaalsContact O-N 3.12Å; P517-F520 VanDerWaalsContact O-CD2 3.24Å; P517-F520 WeakPolarHBondContact O-CD2 3.44Å; P517-W568 HydrophobicContact CG-CH2 3.98Å; P517-W568 HydrophobicContact CG-CZ2 3.38Å
518	W	98.4	Very high	97.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	0.7	176.4	58.6	89.4	0	0	0	114.5	F317 K516 F520 T521 E522 V531 R536 I539 M572 Y575	F317-W518 HydrophobicContact CD1-CB 3.52Å; F317-W518 HydrophobicContact CE1-CB 3.73Å; F317-W518 HydrophobicContact CG-CB 4.05Å; F317-W518 HydrophobicContact CZ-CB 4.4Å; K516-W518 HydrophobicContact CB-CD2 3.85Å; K516-W518 VanDerWaalsContact CB-CE2 3.41Å; K516-W518 HydrophobicContact CB-CE3 4.27Å; K516-W518 HydrophobicContact CB-CG 4.44Å; K516-W518 HydrophobicContact CB-CH2 3.89Å; K516-W518 HydrophobicContact CB-CZ2 3.44Å; K516-W518 VanDerWaalsContact CB-CZ2 3.44Å; K516-W518 HydrophobicContact CB-CZ3 4.3Å; K516-W518 PolarHBondContact O-N 3.19Å; K516-W518 VanDerWaalsContact O-N 3.17Å; W518-F520 PolarHBondContact O-N 2.62Å; W518-F520 VanDerWaalsContact O-N 3.15Å; W518-T521 WeakPolarHBondContact O-CA 3.31Å; W518-T521 WeakPolarHBondContact O-CB 3.4Å; W518-T521 PolarHBondContact O-N 3.37Å; W518-E522 PolarHBondContact O-N 3.44Å; W518-V531 HydrophobicContact CD2-CG2 3.7Å; W518-V531 HydrophobicContact CE3-CG2 4.3Å; W518-V531 HydrophobicContact CG-CG2 3.93Å; W518-V531 HydrophobicContact CH2-CB 4.48Å; W518-V531 HydrophobicContact CZ2-CB 4.16Å; W518-V531 HydrophobicContact CZ2-CG2 4.06Å; W518-R536 HydrophobicContact CH2-CG 3.76Å; W518-R536 HydrophobicContact CZ3-CG 4.11Å; W518-I539 HydrophobicContact CE3-CD1 3.65Å; W518-I539 HydrophobicContact CZ3-CD1 3.7Å; W518-M572 HydrophobicContact CH2-CE 4.42Å; W518-Y575 HydrophobicContact CH2-CD1 4.28Å; W518-Y575 HydrophobicContact CH2-CE1 4.26Å; W518-Y575 HydrophobicContact CZ2-CD1 4.02Å; W518-Y575 HydrophobicContact CZ2-CD2 4.04Å; W518-Y575 AromaticContact CZ2-CE1 3.7Å; W518-Y575 HydrophobicContact CZ2-CE1 3.7Å; W518-Y575 AromaticContact CZ2-CE2 3.73Å; W518-Y575 HydrophobicContact CZ2-CE2 3.73Å; W518-Y575 HydrophobicContact CZ2-CG 4.18Å; W518-Y575 AromaticContact CZ2-CZ 3.55Å
519	I	98.5	Very high	97.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-53.3	-32.7	170.7	-173.8	53.6	0	0	0	112.5	I509 A513 K516 P517 T521 E522 I523	I509-I519 HydrophobicContact CG2-CG2 4.06Å; A513-I519 HydrophobicContact CB-CG2 4.22Å; K516-I519 HydrophobicContact CG-CB 4.36Å; K516-I519 WeakPolarHBondContact O-CB 3.44Å; K516-I519 VanDerWaalsContact O-CG2 3.23Å; K516-I519 WeakPolarHBondContact O-CG2 3.44Å; K516-I519 PolarHBondContact O-N 3Å; P517-I519 PolarHBondContact O-N 3.22Å; P517-I519 VanDerWaalsContact O-N 3.12Å; I519-T521 VanDerWaalsContact C-N 3.33Å; I519-E522 HydrophobicContact CD1-CB 4.39Å; I519-E522 VanDerWaalsContact CD1-OE2 3.31Å; I519-E522 WeakPolarHBondContact CD1-OE2 3.3Å; I519-E522 PolarHBondContact O-N 3.21Å; I519-I523 HydrophobicContact CD1-CD1 4.15Å; I519-I523 HydrophobicContact CD1-CG1 4.2Å; I519-I523 HydrophobicContact CG1-CD1 3.91Å; I519-I523 HydrophobicContact CG1-CG1 4.43Å; I519-I523 WeakPolarHBondContact O-CD1 3.44Å; I519-I523 WeakPolarHBondContact O-CG1 3.31Å; I519-I523 PolarHBondContact O-N 3.13Å
520	F	98.6	Very high	97.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-64.4	-40.1	175.6	-63.9	-74.8	0	0	0	111.5	L297 L299 C314 F317 A319 I509 A513 P517 W518 I523 K524	L297-F520 HydrophobicContact CB-CD1 3.72Å; L297-F520 HydrophobicContact CB-CE1 4.06Å; L297-F520 HydrophobicContact CD1-CB 4.4Å; L297-F520 HydrophobicContact CD1-CD1 4.01Å; L299-F520 HydrophobicContact CB-CZ 3.9Å; L299-F520 HydrophobicContact CD1-CE2 4.26Å; L299-F520 HydrophobicContact CD1-CZ 3.93Å; L299-F520 HydrophobicContact CG-CZ 4.49Å; C314-F520 HydrophobicContact CB-CD2 4.26Å; C314-F520 HydrophobicContact CB-CE2 3.78Å; F317-F520 CarbonylContact O-C 3.58Å; F317-F520 WeakPolarHBondContact O-CB 3.49Å; A319-F520 HydrophobicContact CB-CD1 3.99Å; A319-F520 HydrophobicContact CB-CD2 4.01Å; A319-F520 HydrophobicContact CB-CE1 3.89Å; A319-F520 HydrophobicContact CB-CE2 3.95Å; A319-F520 HydrophobicContact CB-CG 4.07Å; A319-F520 HydrophobicContact CB-CZ 3.89Å; I509-F520 HydrophobicContact CB-CE1 4.2Å; I509-F520 HydrophobicContact CB-CZ 4.25Å; I509-F520 HydrophobicContact CD1-CD1 3.89Å; I509-F520 HydrophobicContact CD1-CE1 3.7Å; I509-F520 HydrophobicContact CD1-CZ 4.42Å; I509-F520 HydrophobicContact CG1-CE1 4.3Å; A513-F520 HydrophobicContact CB-CE2 3.81Å; A513-F520 HydrophobicContact CB-CZ 4.1Å; P517-F520 VanDerWaalsContact O-CD2 3.24Å; P517-F520 WeakPolarHBondContact O-CD2 3.44Å; W518-F520 PolarHBondContact O-N 2.62Å; W518-F520 VanDerWaalsContact O-N 3.15Å; F520-I523 PolarHBondContact O-N 2.92Å; F520-K524 WeakPolarHBondContact O-CG 3.34Å; F520-K524 PolarHBondContact O-N 2.66Å
521	T	98.6	Very high	97.3	Very high	19 Å²	19	30.8 Å²	30.8	12%	0.117	15%	0.145	C	C	.	.	H	α-helix	trans	-68.6	-45	175.8	-46.9	0	0	0	0	110.9	F317 W518 I519 I523 K524 E525 W529	F317-T521 WeakPolarHBondContact CA-OG1 3.4Å; F317-T521 WeakPolarHBondContact CD1-OG1 3.5Å; F317-T521 PolarHBondContact O-N 2.97Å; F317-T521 PolarHBondContact O-OG1 3.29Å; W518-T521 WeakPolarHBondContact O-CA 3.31Å; W518-T521 WeakPolarHBondContact O-CB 3.4Å; W518-T521 PolarHBondContact O-N 3.37Å; I519-T521 VanDerWaalsContact C-N 3.33Å; T521-I523 VanDerWaalsContact C-N 3.27Å; T521-I523 PolarHBondContact O-N 3.37Å; T521-K524 PolarHBondContact O-N 3.12Å; T521-E525 HydrophobicContact CG2-CG 4.3Å; T521-E525 WeakPolarHBondContact CG2-OE1 3.44Å; T521-E525 WeakPolarHBondContact O-CB 3.36Å; T521-E525 WeakPolarHBondContact O-CG 3.44Å; T521-E525 PolarHBondContact O-N 3.24Å; T521-W529 HydrophobicContact CG2-CH2 4.14Å; T521-W529 HydrophobicContact CG2-CZ2 3.37Å
522	E	98.2	Very high	97.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-54.8	-43.5	174.7	-68.6	-176.6	174.2	0	0	111.9	Y493 K516 W518 I519 S526 R527 W529	Y493-E522 VanDerWaalsContact CB-O 3.29Å; Y493-E522 WeakPolarHBondContact CB-O 3.32Å; K516-E522 WeakPolarHBondContact CE-OE2 3.4Å; K516-E522 IonicContact NZ-OE1 2.83Å; K516-E522 PolarHBondContact NZ-OE1 3.13Å; K516-E522 IonicContact NZ-OE2 3.3Å; K516-E522 PolarHBondContact NZ-OE2 3.15Å; W518-E522 PolarHBondContact O-N 3.44Å; I519-E522 HydrophobicContact CD1-CB 4.39Å; I519-E522 VanDerWaalsContact CD1-OE2 3.31Å; I519-E522 WeakPolarHBondContact CD1-OE2 3.3Å; I519-E522 PolarHBondContact O-N 3.21Å; E522-S526 VanDerWaalsContact O-CA 3.28Å; E522-S526 WeakPolarHBondContact O-CA 3.5Å; E522-S526 PolarHBondContact O-N 3.29Å; E522-R527 VanDerWaalsContact CA-O 3.25Å; E522-R527 WeakPolarHBondContact CA-O 3.27Å; E522-R527 VanDerWaalsContact CB-O 3.24Å; E522-R527 WeakPolarHBondContact CB-O 3.31Å; E522-R527 WeakPolarHBondContact CG-O 3.31Å; E522-R527 PolarHBondContact O-N 3.29Å; E522-R527 VanDerWaalsContact O-N 3.15Å; E522-W529 HydrophobicContact CG-CB 4.02Å; E522-W529 HydrophobicContact CG-CG 4.11Å; E522-W529 PolarHBondContact OE1-N 2.82Å
523	I	98.4	Very high	97.5	Very high	9 Å²	9	31 Å²	31	5%	0.046	15%	0.152	C	C	.	.	H	α-helix	trans	-68.4	-41.6	179.2	-66.6	164.9	0	0	0	111.8	L297 I490 A496 I509 I519 F520 T521	L297-I523 HydrophobicContact CD1-CB 3.93Å; L297-I523 HydrophobicContact CD1-CD1 4.46Å; L297-I523 HydrophobicContact CD1-CG2 3.78Å; L297-I523 HydrophobicContact CD2-CG2 3.79Å; L297-I523 HydrophobicContact CG-CG2 4.42Å; I490-I523 HydrophobicContact CG2-CD1 4.3Å; A496-I523 HydrophobicContact CB-CB 4.4Å; A496-I523 HydrophobicContact CB-CD1 3.66Å; A496-I523 HydrophobicContact CB-CG1 3.59Å; A496-I523 HydrophobicContact CB-CG2 3.88Å; I509-I523 HydrophobicContact CD1-CD1 3.27Å; I509-I523 HydrophobicContact CG1-CD1 4.48Å; I519-I523 HydrophobicContact CD1-CD1 4.15Å; I519-I523 HydrophobicContact CD1-CG1 4.2Å; I519-I523 HydrophobicContact CG1-CD1 3.91Å; I519-I523 HydrophobicContact CG1-CG1 4.43Å; I519-I523 WeakPolarHBondContact O-CD1 3.44Å; I519-I523 WeakPolarHBondContact O-CG1 3.31Å; I519-I523 PolarHBondContact O-N 3.13Å; F520-I523 PolarHBondContact O-N 2.92Å; T521-I523 VanDerWaalsContact C-N 3.27Å; T521-I523 PolarHBondContact O-N 3.37Å
524	K	98.1	Very high	97.5	Very high	105 Å²	105	34.4 Å²	34.4	46%	0.457	18%	0.176	S	C	.	.	H	α-helix	trans	-68	-37.6	179.3	-77.1	-179.6	167.4	-178	0	112.2	L297 G318 D320 F520 T521	L297-K524 HydrophobicContact CD1-CG 4.07Å; G318-K524 WeakPolarHBondContact O-CE 3.26Å; G318-K524 PolarHBondContact O-NZ 2.9Å; D320-K524 IonicContact OD1-NZ 3.96Å; D320-K524 PolarHBondContact OD1-NZ 3.15Å; D320-K524 IonicContact OD2-NZ 3.18Å; F520-K524 WeakPolarHBondContact O-CG 3.34Å; F520-K524 PolarHBondContact O-N 2.66Å; T521-K524 PolarHBondContact O-N 3.12Å
525	E	98.1	Very high	97.6	Very high	90 Å²	90	38.8 Å²	38.8	42%	0.421	20%	0.197	S	C	.	.	H	α-helix	trans	-90.6	-6.7	179.9	-64	-176.8	-174.6	0	0	113.5	T521 R527 W529	T521-E525 HydrophobicContact CG2-CG 4.3Å; T521-E525 WeakPolarHBondContact CG2-OE1 3.44Å; T521-E525 WeakPolarHBondContact O-CB 3.36Å; T521-E525 WeakPolarHBondContact O-CG 3.44Å; T521-E525 PolarHBondContact O-N 3.24Å; E525-R527 VanDerWaalsContact C-N 3.26Å; E525-R527 HydrophobicContact CB-CG 3.95Å; E525-R527 PolarHBondContact O-N 2.94Å; E525-R527 IonicContact OE2-CZ 2.98Å; E525-R527 IonicContact OE2-NE 3.87Å; E525-R527 PolarHBondContact OE2-NE 3.46Å; E525-R527 IonicContact OE2-NH2 3.75Å; E525-R527 PolarHBondContact OE2-NH2 3.47Å; E525-W529 WeakPolarHBondContact OE1-CZ2 3.19Å; E525-W529 VanDerWaalsContact OE2-CZ2 3.27Å; E525-W529 WeakPolarHBondContact OE2-CZ2 3.24Å; E525-W529 PolarHBondContact OE2-NE1 3.33Å
526	S	97.5	Very high	97.6	Very high	71 Å²	71	39 Å²	39	50%	0.497	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	44	-176	-57.2	0	0	0	0	113.1	Y493 E522	Y493-S526 VanDerWaalsContact CD2-C 3.46Å; Y493-S526 WeakPolarHBondContact CE2-O 3.47Å; E522-S526 VanDerWaalsContact O-CA 3.28Å; E522-S526 WeakPolarHBondContact O-CA 3.5Å; E522-S526 PolarHBondContact O-N 3.29Å
527	R	97	Very high	97.7	Very high	113 Å²	113	39.5 Å²	39.5	43%	0.426	20%	0.201	S	C	.	.	S	Bend	trans	-148.6	159.1	177.5	71.3	177.2	-178.6	98	-4	112.2	Y493 E522 E525	Y493-R527 VanDerWaalsContact CD1-C 3.42Å; E522-R527 VanDerWaalsContact CA-O 3.25Å; E522-R527 WeakPolarHBondContact CA-O 3.27Å; E522-R527 VanDerWaalsContact CB-O 3.24Å; E522-R527 WeakPolarHBondContact CB-O 3.31Å; E522-R527 WeakPolarHBondContact CG-O 3.31Å; E522-R527 PolarHBondContact O-N 3.29Å; E522-R527 VanDerWaalsContact O-N 3.15Å; E525-R527 VanDerWaalsContact C-N 3.26Å; E525-R527 HydrophobicContact CB-CG 3.95Å; E525-R527 PolarHBondContact O-N 2.94Å; E525-R527 IonicContact OE2-CZ 2.98Å; E525-R527 IonicContact OE2-NE 3.87Å; E525-R527 PolarHBondContact OE2-NE 3.46Å; E525-R527 IonicContact OE2-NH2 3.75Å; E525-R527 PolarHBondContact OE2-NH2 3.47Å
528	H	96.5	Very high	97.7	Very high	43 Å²	43	42.8 Å²	42.8	20%	0.199	22%	0.218	C	C	.	.			trans	-75.6	147.6	169.7	-65.5	-54.8	0	0	0	112.7	Y493 E494 V578 V584	Y493-H528 AromaticContact CD1-CE1 3.77Å; Y493-H528 AromaticContact CD1-ND1 3.76Å; Y493-H528 AromaticContact CE1-CD2 3.74Å; Y493-H528 AromaticContact CE1-CE1 3.49Å; Y493-H528 VanDerWaalsContact CE1-CE1 3.49Å; Y493-H528 WeakPolarHBondContact CE1-CE1 3.31Å; Y493-H528 AromaticContact CE1-CG 3.85Å; Y493-H528 AromaticContact CE1-ND1 3.7Å; Y493-H528 AromaticContact CE1-NE2 3.55Å; E494-H528 VanDerWaalsContact CD-CE1 3.46Å; E494-H528 IonicContact OE1-CD2 3.37Å; E494-H528 IonicContact OE1-CE1 3.83Å; E494-H528 PolarHBondContact OE1-CE1 3.41Å; E494-H528 VanDerWaalsContact OE1-CE1 3.26Å; E494-H528 IonicContact OE1-NE2 2.62Å; E494-H528 PolarHBondContact OE1-NE2 3.02Å; E494-H528 IonicContact OE2-CE1 3.55Å; E494-H528 PolarHBondContact OE2-CE1 3.14Å; E494-H528 IonicContact OE2-ND1 2.92Å; E494-H528 IonicContact OE2-NE2 2.67Å; E494-H528 PolarHBondContact OE2-NE2 3.09Å; H528-V578 HydrophobicContact CB-CG1 4.22Å; H528-V578 HydrophobicContact CB-CG2 4.24Å; H528-V584 VanDerWaalsContact CD2-CG1 3.46Å; H528-V584 WeakPolarHBondContact CD2-CG1 3.37Å; H528-V584 VanDerWaalsContact CE1-CG1 3.46Å; H528-V584 WeakPolarHBondContact CE1-CG1 3.35Å; H528-V584 WeakPolarHBondContact NE2-CG1 3.39Å
529	W	96.1	Very high	97.7	Very high	65 Å²	65	43.2 Å²	43.2	25%	0.246	22%	0.22	C	C	.	.			trans	-116.9	123.4	171.7	-79.6	59.5	0	0	0	109.4	T521 E522 E525 V531 Y575	T521-W529 HydrophobicContact CG2-CH2 4.14Å; T521-W529 HydrophobicContact CG2-CZ2 3.37Å; E522-W529 HydrophobicContact CG-CB 4.02Å; E522-W529 HydrophobicContact CG-CG 4.11Å; E522-W529 PolarHBondContact OE1-N 2.82Å; E525-W529 WeakPolarHBondContact OE1-CZ2 3.19Å; E525-W529 VanDerWaalsContact OE2-CZ2 3.27Å; E525-W529 WeakPolarHBondContact OE2-CZ2 3.24Å; E525-W529 PolarHBondContact OE2-NE1 3.33Å; W529-V531 HydrophobicContact CB-CG2 4.12Å; W529-V531 HydrophobicContact CE3-CG2 4.27Å; W529-Y575 PolarHBondContact O-OH 3.29Å
530	D	96.1	Very high	97.7	Very high	64 Å²	64	43.2 Å²	43.2	34%	0.342	22%	0.22	S	C	.	.			trans	-99.8	81.7	171.2	-166.4	14.2	0	0	0	109.7	P577 V578 G579 R598	D530-P577 WeakPolarHBondContact OD1-CB 3.44Å; D530-V578 HydrophobicContact CB-CB 4.01Å; D530-V578 PolarHBondContact OD1-N 3.44Å; D530-V578 VanDerWaalsContact OD1-N 3.12Å; D530-G579 PolarHBondContact OD2-N 2.86Å; D530-G579 VanDerWaalsContact OD2-N 3.12Å; D530-R598 IonicContact OD1-CZ 3.79Å; D530-R598 IonicContact OD1-NH1 3.37Å; D530-R598 IonicContact OD1-NH2 2.76Å; D530-R598 PolarHBondContact OD1-NH2 3.1Å; D530-R598 IonicContact OD2-CZ 3.07Å; D530-R598 IonicContact OD2-NH1 3.37Å; D530-R598 PolarHBondContact OD2-NH1 3.37Å
531	V	96.9	Very high	97.7	Very high	10 Å²	10	48 Å²	48	6%	0.061	24%	0.239	C	C	.	.			trans	-76	127.2	-173.7	-173.4	0	0	0	0	109.9	W518 W529 E535 R536 I539	W518-V531 HydrophobicContact CD2-CG2 3.7Å; W518-V531 HydrophobicContact CE3-CG2 4.3Å; W518-V531 HydrophobicContact CG-CG2 3.93Å; W518-V531 HydrophobicContact CH2-CB 4.48Å; W518-V531 HydrophobicContact CZ2-CB 4.16Å; W518-V531 HydrophobicContact CZ2-CG2 4.06Å; W529-V531 HydrophobicContact CB-CG2 4.12Å; W529-V531 HydrophobicContact CE3-CG2 4.27Å; V531-E535 HydrophobicContact CG1-CB 3.52Å; V531-R536 HydrophobicContact CB-CG 4.15Å; V531-R536 HydrophobicContact CG1-CG 3.79Å; V531-R536 PolarHBondContact O-NE 3.46Å; V531-I539 HydrophobicContact CG1-CD1 4.48Å
532	S	97.3	Very high	97.7	Very high	40 Å²	40	48.5 Å²	48.5	28%	0.28	24%	0.241	S	C	.	.			trans	-63.9	161.1	-179.1	69	0	0	0	0	112.1	S534 E535 R536	S532-S534 VanDerWaalsContact C-N 3.3Å; S532-S534 PolarHBondContact O-N 3.48Å; S532-E535 VanDerWaalsContact CB-OE2 3.31Å; S532-E535 WeakPolarHBondContact CB-OE2 3.32Å; S532-E535 PolarHBondContact N-OE2 3.28Å; S532-E535 PolarHBondContact O-N 3.47Å; S532-E535 VanDerWaalsContact OG-CD 3.32Å; S532-E535 VanDerWaalsContact OG-CG 3.27Å; S532-E535 WeakPolarHBondContact OG-CG 3.11Å; S532-E535 PolarHBondContact OG-N 3.04Å; S532-E535 PolarHBondContact OG-OE2 2.78Å; S532-R536 WeakPolarHBondContact O-CB 3.3Å; S532-R536 WeakPolarHBondContact O-CG 3.45Å; S532-R536 PolarHBondContact O-N 3.17Å
533	S	97.2	Very high	97.7	Very high	3 Å²	3	48.5 Å²	48.5	2%	0.021	24%	0.241	C	C	.	.	H	α-helix	trans	-63.1	-34.5	177.7	53.5	0	0	0	0	113.2	R536 L537 N599 L601	S533-R536 PolarHBondContact O-N 3.38Å; S533-L537 PolarHBondContact O-N 2.79Å; S533-N599 VanDerWaalsContact OG-CG 3.27Å; S533-N599 PolarHBondContact OG-ND2 2.88Å; S533-N599 PolarHBondContact OG-OD1 3.19Å; S533-L601 WeakPolarHBondContact O-CD2 3.17Å
534	S	97.8	Very high	97.7	Very high	73 Å²	73	48.2 Å²	48.2	51%	0.51	24%	0.239	S	C	.	.	H	α-helix	trans	-65.5	-49	175.8	-56.8	0	0	0	0	111.9	S532 R536 L537 D538	S532-S534 VanDerWaalsContact C-N 3.3Å; S532-S534 PolarHBondContact O-N 3.48Å; S534-R536 VanDerWaalsContact C-N 3.27Å; S534-R536 PolarHBondContact O-N 3.43Å; S534-L537 WeakPolarHBondContact O-CB 3.42Å; S534-L537 PolarHBondContact O-N 2.96Å; S534-D538 PolarHBondContact O-N 3.42Å
535	E	98.2	Very high	97.7	Very high	97 Å²	97	44.9 Å²	44.9	45%	0.453	23%	0.226	S	C	.	.	H	α-helix	trans	-61.8	-37.8	175.7	-69.9	166.3	124.4	0	0	111.3	V531 S532 L537 D538 I539	V531-E535 HydrophobicContact CG1-CB 3.52Å; S532-E535 VanDerWaalsContact CB-OE2 3.31Å; S532-E535 WeakPolarHBondContact CB-OE2 3.32Å; S532-E535 PolarHBondContact N-OE2 3.28Å; S532-E535 PolarHBondContact O-N 3.47Å; S532-E535 VanDerWaalsContact OG-CD 3.32Å; S532-E535 VanDerWaalsContact OG-CG 3.27Å; S532-E535 WeakPolarHBondContact OG-CG 3.11Å; S532-E535 PolarHBondContact OG-N 3.04Å; S532-E535 PolarHBondContact OG-OE2 2.78Å; E535-L537 VanDerWaalsContact C-N 3.31Å; E535-L537 PolarHBondContact O-N 3.24Å; E535-D538 WeakPolarHBondContact O-CB 3.46Å; E535-D538 PolarHBondContact O-N 3.05Å; E535-I539 VanDerWaalsContact O-CG1 3.31Å; E535-I539 WeakPolarHBondContact O-CG1 3.33Å; E535-I539 PolarHBondContact O-N 3.04Å
536	R	98.1	Very high	97.8	Very high	3 Å²	3	41.2 Å²	41.2	1%	0.011	21%	0.209	C	C	.	.	H	α-helix	trans	-62.4	-37.1	173.2	-75.8	-173.1	-68.5	136.8	-3.2	112.3	W518 V531 S532 S533 S534 I539 L540 M572 E602 M605	W518-R536 HydrophobicContact CH2-CG 3.76Å; W518-R536 HydrophobicContact CZ3-CG 4.11Å; V531-R536 HydrophobicContact CB-CG 4.15Å; V531-R536 HydrophobicContact CG1-CG 3.79Å; V531-R536 PolarHBondContact O-NE 3.46Å; S532-R536 WeakPolarHBondContact O-CB 3.3Å; S532-R536 WeakPolarHBondContact O-CG 3.45Å; S532-R536 PolarHBondContact O-N 3.17Å; S533-R536 PolarHBondContact O-N 3.38Å; S534-R536 VanDerWaalsContact C-N 3.27Å; S534-R536 PolarHBondContact O-N 3.43Å; R536-I539 WeakPolarHBondContact O-CB 3.46Å; R536-I539 PolarHBondContact O-N 3.46Å; R536-L540 WeakPolarHBondContact O-CG 3.37Å; R536-L540 PolarHBondContact O-N 2.92Å; R536-M572 HydrophobicContact CB-CE 3.73Å; R536-M572 HydrophobicContact CG-CE 3.93Å; R536-E602 IonicContact CZ-OE2 3.77Å; R536-E602 IonicContact NH2-OE2 2.83Å; R536-E602 PolarHBondContact NH2-OE2 3.27Å; R536-M605 HydrophobicContact CB-CE 4.17Å; R536-M605 HydrophobicContact CB-SD 3.82Å; R536-M605 PolarHBondContact NH1-SD 3.17Å; R536-M605 VanDerWaalsContact NH1-SD 3.45Å
537	L	98.3	Very high	97.8	Very high	25 Å²	25	37.9 Å²	37.9	13%	0.131	19%	0.185	C	C	.	.	H	α-helix	trans	-69.4	-36	175.1	-173.8	65.8	0	0	0	111.5	S533 S534 E535 I539 L540 R541 L601 M605 I616 L620	S533-L537 PolarHBondContact O-N 2.79Å; S534-L537 WeakPolarHBondContact O-CB 3.42Å; S534-L537 PolarHBondContact O-N 2.96Å; E535-L537 VanDerWaalsContact C-N 3.31Å; E535-L537 PolarHBondContact O-N 3.24Å; L537-I539 VanDerWaalsContact C-N 3.31Å; L537-I539 PolarHBondContact O-N 2.96Å; L537-L540 HydrophobicContact CD1-CD1 4.43Å; L537-L540 WeakPolarHBondContact O-CB 3.46Å; L537-L540 PolarHBondContact O-N 3.26Å; L537-R541 PolarHBondContact O-N 3.38Å; L537-L601 HydrophobicContact CB-CD2 4.06Å; L537-L601 HydrophobicContact CD2-CD2 3.96Å; L537-M605 HydrophobicContact CB-CE 3.8Å; L537-M605 HydrophobicContact CD1-CE 4.09Å; L537-I616 HydrophobicContact CD1-CG2 4.36Å; L537-L620 HydrophobicContact CD1-CD1 4.21Å; L537-L620 HydrophobicContact CD1-CD2 4.03Å; L537-L620 HydrophobicContact CD1-CG 4.22Å; L537-L620 HydrophobicContact CG-CD2 4.34Å
538	D	98.4	Very high	97.8	Very high	68 Å²	68	32.7 Å²	32.7	36%	0.364	17%	0.166	S	C	.	.	H	α-helix	trans	-63.5	-38.6	174.7	-64.3	-14.4	0	0	0	111.6	S534 E535 L540 R541 D542	S534-D538 PolarHBondContact O-N 3.42Å; E535-D538 WeakPolarHBondContact O-CB 3.46Å; E535-D538 PolarHBondContact O-N 3.05Å; D538-L540 VanDerWaalsContact C-N 3.34Å; D538-L540 PolarHBondContact O-N 2.91Å; D538-R541 CarbonylContact O-C 3.56Å; D538-R541 WeakPolarHBondContact O-CA 3.42Å; D538-R541 WeakPolarHBondContact O-CB 3.31Å; D538-R541 PolarHBondContact O-N 3.09Å; D538-R541 VanDerWaalsContact O-N 3.1Å; D538-R541 IonicContact OD1-CZ 2.8Å; D538-R541 VanDerWaalsContact OD1-CZ 3.3Å; D538-R541 IonicContact OD1-NH1 2.81Å; D538-R541 PolarHBondContact OD1-NH1 3.05Å; D538-R541 IonicContact OD1-NH2 3.69Å; D538-R541 PolarHBondContact OD1-NH2 2.69Å; D538-R541 VanDerWaalsContact OD1-NH2 3.14Å; D538-D542 PolarHBondContact O-N 3.36Å
539	I	98.6	Very high	97.8	Very high	9 Å²	9	32.3 Å²	32.3	5%	0.046	17%	0.165	C	C	.	.	H	α-helix	trans	-61.2	-41.7	172.3	-67.4	167.8	0	0	0	111.5	V313 F317 W518 V531 E535 R536 L537 R541 D542 F543 W568	V313-I539 HydrophobicContact CG1-CG2 3.85Å; F317-I539 HydrophobicContact CE1-CD1 4.41Å; F317-I539 HydrophobicContact CE2-CD1 3.9Å; F317-I539 HydrophobicContact CE2-CG1 3.97Å; F317-I539 HydrophobicContact CE2-CG2 4.24Å; F317-I539 HydrophobicContact CZ-CD1 3.42Å; F317-I539 VanDerWaalsContact CZ-CD1 3.42Å; F317-I539 HydrophobicContact CZ-CG1 3.67Å; W518-I539 HydrophobicContact CE3-CD1 3.65Å; W518-I539 HydrophobicContact CZ3-CD1 3.7Å; V531-I539 HydrophobicContact CG1-CD1 4.48Å; E535-I539 VanDerWaalsContact O-CG1 3.31Å; E535-I539 WeakPolarHBondContact O-CG1 3.33Å; E535-I539 PolarHBondContact O-N 3.04Å; R536-I539 WeakPolarHBondContact O-CB 3.46Å; R536-I539 PolarHBondContact O-N 3.46Å; L537-I539 VanDerWaalsContact C-N 3.31Å; L537-I539 PolarHBondContact O-N 2.96Å; I539-R541 VanDerWaalsContact C-N 3.3Å; I539-D542 WeakPolarHBondContact O-CB 3.11Å; I539-D542 PolarHBondContact O-N 2.89Å; I539-F543 PolarHBondContact O-N 2.84Å; I539-F543 VanDerWaalsContact O-N 3.13Å; I539-W568 HydrophobicContact CG2-CH2 3.85Å
540	L	98.6	Very high	97.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-66	-36.2	174.3	-63.5	179.5	0	0	0	111.2	R536 L537 D538 D542 F543 T544 L565 W568 L569 M572 M605 I616 L620	R536-L540 WeakPolarHBondContact O-CG 3.37Å; R536-L540 PolarHBondContact O-N 2.92Å; L537-L540 HydrophobicContact CD1-CD1 4.43Å; L537-L540 WeakPolarHBondContact O-CB 3.46Å; L537-L540 PolarHBondContact O-N 3.26Å; D538-L540 VanDerWaalsContact C-N 3.34Å; D538-L540 PolarHBondContact O-N 2.91Å; L540-D542 VanDerWaalsContact C-N 3.35Å; L540-F543 WeakPolarHBondContact O-CB 3.29Å; L540-F543 PolarHBondContact O-N 2.85Å; L540-T544 WeakPolarHBondContact O-CG2 3.23Å; L540-T544 PolarHBondContact O-N 3.16Å; L540-T544 PolarHBondContact O-OG1 2.72Å; L540-L565 HydrophobicContact CB-CD1 4.36Å; L540-L565 HydrophobicContact CD2-CD1 3.85Å; L540-W568 HydrophobicContact CD2-CE3 3.99Å; L540-W568 HydrophobicContact CD2-CH2 4Å; L540-W568 HydrophobicContact CD2-CZ3 3.63Å; L540-L569 HydrophobicContact CD1-CD2 3.8Å; L540-L569 HydrophobicContact CD2-CD2 4.18Å; L540-M572 HydrophobicContact CD2-SD 3.67Å; L540-M572 HydrophobicContact CG-SD 4.28Å; L540-M605 HydrophobicContact CD1-CE 4.09Å; L540-I616 HydrophobicContact CD1-CG2 3.74Å; L540-L620 HydrophobicContact CB-CD1 3.54Å
541	R	98.3	Very high	97.7	Very high	102 Å²	102	28.4 Å²	28.4	39%	0.385	15%	0.146	S	C	.	.	H	α-helix	trans	-64	-39.2	174.3	-163.2	-179.7	-55	109.4	9.1	112.1	L537 D538 I539 F543 T544 N545 L620	L537-R541 PolarHBondContact O-N 3.38Å; D538-R541 CarbonylContact O-C 3.56Å; D538-R541 WeakPolarHBondContact O-CA 3.42Å; D538-R541 WeakPolarHBondContact O-CB 3.31Å; D538-R541 PolarHBondContact O-N 3.09Å; D538-R541 VanDerWaalsContact O-N 3.1Å; D538-R541 IonicContact OD1-CZ 2.8Å; D538-R541 VanDerWaalsContact OD1-CZ 3.3Å; D538-R541 IonicContact OD1-NH1 2.81Å; D538-R541 PolarHBondContact OD1-NH1 3.05Å; D538-R541 IonicContact OD1-NH2 3.69Å; D538-R541 PolarHBondContact OD1-NH2 2.69Å; D538-R541 VanDerWaalsContact OD1-NH2 3.14Å; I539-R541 VanDerWaalsContact C-N 3.3Å; R541-F543 VanDerWaalsContact C-N 3.34Å; R541-F543 PolarHBondContact O-N 3.39Å; R541-T544 WeakPolarHBondContact CA-OG1 3.45Å; R541-T544 PolarHBondContact O-N 3.39Å; R541-T544 PolarHBondContact O-OG1 3.41Å; R541-N545 VanDerWaalsContact O-CB 3.31Å; R541-N545 WeakPolarHBondContact O-CB 3.45Å; R541-N545 PolarHBondContact O-N 3.01Å; R541-N545 PolarHBondContact O-ND2 3.44Å; R541-L620 HydrophobicContact CB-CD2 3.86Å; R541-L620 HydrophobicContact CG-CD2 4.1Å
542	D	98.4	Very high	97.6	Very high	29 Å²	29	27.9 Å²	27.9	16%	0.155	14%	0.143	C	C	.	.	H	α-helix	trans	-60.3	-45.4	173.2	-69.2	-44.1	0	0	0	111.3	V313 R316 D538 I539 L540 T544 N545 F546	V313-D542 HydrophobicContact CG2-CB 4.44Å; R316-D542 IonicContact CZ-OD1 3.14Å; R316-D542 IonicContact CZ-OD2 3.46Å; R316-D542 IonicContact NH1-OD1 3.65Å; R316-D542 PolarHBondContact NH1-OD1 3.24Å; R316-D542 IonicContact NH1-OD2 2.77Å; R316-D542 PolarHBondContact NH1-OD2 3.47Å; R316-D542 IonicContact NH2-OD1 3.79Å; R316-D542 IonicContact NH2-OD2 3.66Å; R316-D542 PolarHBondContact NH2-OD2 3.02Å; D538-D542 PolarHBondContact O-N 3.36Å; I539-D542 WeakPolarHBondContact O-CB 3.11Å; I539-D542 PolarHBondContact O-N 2.89Å; L540-D542 VanDerWaalsContact C-N 3.35Å; D542-T544 PolarHBondContact O-N 3.49Å; D542-N545 PolarHBondContact O-N 3.05Å; D542-F546 HydrophobicContact CB-CE2 4.14Å; D542-F546 HydrophobicContact CB-CZ 4.4Å; D542-F546 WeakPolarHBondContact O-CB 3.32Å; D542-F546 WeakPolarHBondContact O-CD2 3.33Å; D542-F546 WeakPolarHBondContact O-CG 3.5Å; D542-F546 PolarHBondContact O-N 2.98Å
543	F	98.7	Very high	97.5	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-59.9	-44.8	174.6	175.6	-88	0	0	0	112.2	N307 P309 F310 V313 I539 L540 R541 F546 G547 W551 F564 L565 W568	N307-F543 WeakPolarHBondContact OD1-CE2 3.39Å; P309-F543 HydrophobicContact CB-CD2 3.88Å; P309-F543 HydrophobicContact CB-CE2 3.76Å; P309-F543 HydrophobicContact CB-CZ 4.37Å; F310-F543 HydrophobicContact CB-CD2 4.22Å; F310-F543 HydrophobicContact CB-CE2 3.93Å; V313-F543 HydrophobicContact CG2-CB 4.05Å; I539-F543 PolarHBondContact O-N 2.84Å; I539-F543 VanDerWaalsContact O-N 3.13Å; L540-F543 WeakPolarHBondContact O-CB 3.29Å; L540-F543 PolarHBondContact O-N 2.85Å; R541-F543 VanDerWaalsContact C-N 3.34Å; R541-F543 PolarHBondContact O-N 3.39Å; F543-F546 PolarHBondContact O-N 3.09Å; F543-G547 PolarHBondContact O-N 3.14Å; F543-W551 HydrophobicContact CZ-CH2 4.31Å; F543-W551 HydrophobicContact CZ-CZ3 4.3Å; F543-F564 HydrophobicContact CE1-CB 4.45Å; F543-F564 HydrophobicContact CZ-CB 3.93Å; F543-L565 HydrophobicContact CD1-CB 4.17Å; F543-L565 HydrophobicContact CD1-CD1 3.99Å; F543-L565 HydrophobicContact CE1-CB 3.82Å; F543-L565 HydrophobicContact CE1-CD1 4.41Å; F543-W568 HydrophobicContact CB-CE3 4.16Å; F543-W568 HydrophobicContact CB-CZ3 3.57Å; F543-W568 HydrophobicContact CD1-CE3 4.29Å; F543-W568 AromaticContact CD2-CE3 3.81Å; F543-W568 HydrophobicContact CD2-CE3 3.81Å; F543-W568 AromaticContact CD2-CZ3 3.9Å; F543-W568 HydrophobicContact CD2-CZ3 3.9Å; F543-W568 HydrophobicContact CE2-CE3 4.3Å; F543-W568 AromaticContact CG-CE3 3.81Å; F543-W568 HydrophobicContact CG-CE3 3.81Å; F543-W568 AromaticContact CG-CZ3 3.73Å; F543-W568 HydrophobicContact CG-CZ3 3.73Å
544	T	98.5	Very high	97.3	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.012	13%	0.133	C	C	.	.	H	α-helix	trans	-65.6	-42.3	179.1	55.2	0	0	0	0	111.4	L540 R541 D542 F546 G547 L548 T561 L565 L620 L621	L540-T544 WeakPolarHBondContact O-CG2 3.23Å; L540-T544 PolarHBondContact O-N 3.16Å; L540-T544 PolarHBondContact O-OG1 2.72Å; R541-T544 WeakPolarHBondContact CA-OG1 3.45Å; R541-T544 PolarHBondContact O-N 3.39Å; R541-T544 PolarHBondContact O-OG1 3.41Å; D542-T544 PolarHBondContact O-N 3.49Å; T544-F546 PolarHBondContact O-N 2.96Å; T544-G547 CarbonylContact O-C 3.56Å; T544-G547 WeakPolarHBondContact O-CA 3.4Å; T544-G547 PolarHBondContact O-N 3.3Å; T544-G547 VanDerWaalsContact O-N 3.07Å; T544-L548 WeakPolarHBondContact O-CG 3.44Å; T544-L548 PolarHBondContact O-N 3.36Å; T544-T561 HydrophobicContact CG2-CG2 4.23Å; T544-L565 HydrophobicContact CG2-CD2 3.81Å; T544-L620 HydrophobicContact CG2-CB 4.05Å; T544-L620 HydrophobicContact CG2-CD1 4.1Å; T544-L621 HydrophobicContact CG2-CD1 3.97Å; T544-L621 HydrophobicContact CG2-CD2 4.07Å; T544-L621 HydrophobicContact CG2-CG 3.93Å
545	N	98.1	Very high	96.9	Very high	35 Å²	35	23.8 Å²	23.8	19%	0.187	11%	0.113	C	C	.	.	H	α-helix	trans	-57.6	-50.3	175.4	-75.1	-14.2	0	0	0	111.9	Y150 R541 D542 G547 L548 E549	Y150-N545 HydrophobicContact CD1-CB 3.7Å; Y150-N545 VanDerWaalsContact CD1-O 3.29Å; Y150-N545 WeakPolarHBondContact CD1-O 3.37Å; Y150-N545 HydrophobicContact CD2-CB 3.64Å; Y150-N545 VanDerWaalsContact CD2-CG 3.46Å; Y150-N545 HydrophobicContact CE1-CB 3.79Å; Y150-N545 WeakPolarHBondContact CE1-O 3.48Å; Y150-N545 HydrophobicContact CE2-CB 3.74Å; Y150-N545 HydrophobicContact CG-CB 3.63Å; R541-N545 VanDerWaalsContact O-CB 3.31Å; R541-N545 WeakPolarHBondContact O-CB 3.45Å; R541-N545 PolarHBondContact O-N 3.01Å; R541-N545 PolarHBondContact O-ND2 3.44Å; D542-N545 PolarHBondContact O-N 3.05Å; N545-G547 PolarHBondContact O-N 3.44Å; N545-L548 PolarHBondContact O-N 3.08Å; N545-E549 PolarHBondContact O-N 3.43Å; N545-E549 VanDerWaalsContact O-N 3.1Å
546	F	98.4	Very high	96.5	Very high	14 Å²	14	24.3 Å²	24.3	6%	0.061	11%	0.11	C	C	.	.	H	α-helix	trans	-63.6	-31.9	175	-58.2	-25.2	0	0	0	112.3	P309 R312 V313 D542 F543 T544 H550	P309-F546 HydrophobicContact CB-CB 3.82Å; P309-F546 HydrophobicContact CG-CB 4.36Å; R312-F546 HydrophobicContact CB-CD2 3.64Å; R312-F546 HydrophobicContact CB-CE2 3.77Å; R312-F546 HydrophobicContact CB-CG 4.32Å; V313-F546 HydrophobicContact CG2-CD2 4.02Å; V313-F546 HydrophobicContact CG2-CE2 4.03Å; D542-F546 HydrophobicContact CB-CE2 4.14Å; D542-F546 HydrophobicContact CB-CZ 4.4Å; D542-F546 WeakPolarHBondContact O-CB 3.32Å; D542-F546 WeakPolarHBondContact O-CD2 3.33Å; D542-F546 WeakPolarHBondContact O-CG 3.5Å; D542-F546 PolarHBondContact O-N 2.98Å; F543-F546 PolarHBondContact O-N 3.09Å; T544-F546 PolarHBondContact O-N 2.96Å; F546-H550 WeakPolarHBondContact O-CB 3.49Å; F546-H550 PolarHBondContact O-N 2.84Å
547	G	97.9	Very high	96.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-65.4	-43.5	173.5	0	0	0	0	0	113.1	F543 T544 N545 E549 H550 W551 T561	F543-G547 PolarHBondContact O-N 3.14Å; T544-G547 CarbonylContact O-C 3.56Å; T544-G547 WeakPolarHBondContact O-CA 3.4Å; T544-G547 PolarHBondContact O-N 3.3Å; T544-G547 VanDerWaalsContact O-N 3.07Å; N545-G547 PolarHBondContact O-N 3.44Å; G547-E549 VanDerWaalsContact C-N 3.33Å; G547-E549 PolarHBondContact O-N 3.41Å; G547-H550 PolarHBondContact O-N 3.3Å; G547-W551 WeakPolarHBondContact O-CB 3.41Å; G547-W551 PolarHBondContact O-N 3.44Å; G547-T561 VanDerWaalsContact C-OG1 3.3Å; G547-T561 PolarHBondContact O-OG1 3.04Å
548	L	97.3	Very high	96.2	Very high	5 Å²	5	23 Å²	23	3%	0.026	10%	0.104	C	C	.	.	H	α-helix	trans	-64.4	-38.3	176.2	-63.8	174.6	0	0	0	111.6	F166 T544 N545 G552 V558 L621	F166-L548 HydrophobicContact CE2-CD1 3.88Å; F166-L548 HydrophobicContact CZ-CD1 4.35Å; T544-L548 WeakPolarHBondContact O-CG 3.44Å; T544-L548 PolarHBondContact O-N 3.36Å; N545-L548 PolarHBondContact O-N 3.08Å; L548-G552 CarbonylContact O-C 3.52Å; L548-G552 WeakPolarHBondContact O-CA 3.28Å; L548-G552 PolarHBondContact O-N 2.95Å; L548-V558 HydrophobicContact CD2-CB 4.45Å; L548-V558 HydrophobicContact CD2-CG2 3.64Å; L548-L621 HydrophobicContact CD2-CD2 4.24Å
549	E	95.8	Very high	95.9	Very high	35 Å²	35	20.2 Å²	20.2	16%	0.164	9%	0.089	C	C	.	.	H	α-helix	trans	-63.7	-43.6	171.9	-171.8	-164.6	133.9	0	0	111.5	Y150 L151 F155 R312 H346 N545 G547	Y150-E549 HydrophobicContact CE1-CB 4.36Å; L151-E549 HydrophobicContact CD2-CB 3.8Å; L151-E549 HydrophobicContact CD2-CG 4.23Å; F155-E549 HydrophobicContact CE2-CG 3.96Å; F155-E549 HydrophobicContact CZ-CG 4.07Å; R312-E549 IonicContact CZ-OE2 3.05Å; R312-E549 VanDerWaalsContact NH1-CD 3.26Å; R312-E549 IonicContact NH1-OE1 2.79Å; R312-E549 PolarHBondContact NH1-OE1 2.98Å; R312-E549 IonicContact NH1-OE2 3.41Å; R312-E549 PolarHBondContact NH1-OE2 2.77Å; R312-E549 IonicContact NH2-OE2 3.51Å; R312-E549 PolarHBondContact NH2-OE2 2.83Å; H346-E549 IonicContact CD2-OE1 3.91Å; H346-E549 IonicContact NE2-OE1 3.78Å; N545-E549 PolarHBondContact O-N 3.43Å; N545-E549 VanDerWaalsContact O-N 3.1Å; G547-E549 VanDerWaalsContact C-N 3.33Å; G547-E549 PolarHBondContact O-N 3.41Å
550	H	95.9	Very high	95.7	Very high	27 Å²	27	23.8 Å²	23.8	13%	0.125	10%	0.104	C	C	.	.	H	α-helix	trans	-82.1	-37	-171.6	179.7	67.4	0	0	0	114.6	L308 P309 F546 G547	L308-H550 WeakPolarHBondContact CD2-ND1 3.36Å; P309-H550 HydrophobicContact CG-CB 3.97Å; F546-H550 WeakPolarHBondContact O-CB 3.49Å; F546-H550 PolarHBondContact O-N 2.84Å; G547-H550 PolarHBondContact O-N 3.3Å
551	W	95.4	Very high	95.7	Very high	19 Å²	19	23.8 Å²	23.8	7%	0.072	10%	0.104	C	C	.	.	H	α-helix	trans	-111.6	-19.8	-175.3	-67.2	-42.3	0	0	0	114.2	N307 P309 F543 G547 G557 K560 T561 F564	N307-W551 HydrophobicContact CB-CH2 4.19Å; N307-W551 HydrophobicContact CB-CZ2 3.94Å; P309-W551 HydrophobicContact CG-CE3 4.46Å; P309-W551 HydrophobicContact CG-CH2 3.83Å; P309-W551 HydrophobicContact CG-CZ2 4.37Å; P309-W551 HydrophobicContact CG-CZ3 3.87Å; F543-W551 HydrophobicContact CZ-CH2 4.31Å; F543-W551 HydrophobicContact CZ-CZ3 4.3Å; G547-W551 WeakPolarHBondContact O-CB 3.41Å; G547-W551 PolarHBondContact O-N 3.44Å; W551-G557 WeakPolarHBondContact O-CA 3.32Å; W551-K560 HydrophobicContact CB-CB 4.31Å; W551-K560 HydrophobicContact CB-CD 4.01Å; W551-K560 HydrophobicContact CB-CG 4.29Å; W551-K560 VanDerWaalsContact CD1-NZ 3.29Å; W551-K560 HydrophobicContact CD2-CD 4.21Å; W551-K560 HydrophobicContact CD2-CG 4.02Å; W551-K560 HydrophobicContact CG-CB 4.42Å; W551-K560 HydrophobicContact CG-CD 3.63Å; W551-K560 HydrophobicContact CG-CG 3.9Å; W551-T561 HydrophobicContact CE3-CG2 4.45Å; W551-T561 HydrophobicContact CZ3-CG2 4.43Å; W551-F564 HydrophobicContact CD2-CD2 4.33Å; W551-F564 AromaticContact CE2-CD2 3.85Å; W551-F564 AromaticContact CE2-CE2 3.87Å; W551-F564 HydrophobicContact CE3-CD2 4.32Å; W551-F564 HydrophobicContact CH2-CB 3.67Å; W551-F564 HydrophobicContact CH2-CD1 4.49Å; W551-F564 AromaticContact CH2-CD2 3.33Å; W551-F564 HydrophobicContact CH2-CD2 3.33Å; W551-F564 HydrophobicContact CH2-CE2 4.08Å; W551-F564 AromaticContact CH2-CG 3.59Å; W551-F564 HydrophobicContact CH2-CG 3.59Å; W551-F564 HydrophobicContact CZ2-CB 4.48Å; W551-F564 AromaticContact CZ2-CD2 3.33Å; W551-F564 HydrophobicContact CZ2-CD2 3.33Å; W551-F564 AromaticContact CZ2-CE2 3.58Å; W551-F564 HydrophobicContact CZ2-CE2 3.58Å; W551-F564 AromaticContact CZ2-CG 3.91Å; W551-F564 HydrophobicContact CZ2-CG 3.91Å; W551-F564 HydrophobicContact CZ2-CZ 4.3Å; W551-F564 HydrophobicContact CZ3-CB 4.04Å; W551-F564 AromaticContact CZ3-CD2 3.86Å; W551-F564 HydrophobicContact CZ3-CD2 3.86Å; W551-F564 HydrophobicContact CZ3-CG 4.27Å
552	G	94.4	Very high	95.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.085	C	C	.	.			trans	120.4	156.5	175.4	0	0	0	0	0	114.2	Y160 L548 G557 V558	Y160-G552 WeakPolarHBondContact OH-CA 3.4Å; L548-G552 CarbonylContact O-C 3.52Å; L548-G552 WeakPolarHBondContact O-CA 3.28Å; L548-G552 PolarHBondContact O-N 2.95Å; G552-G557 CarbonylContact O-C 3.43Å; G552-G557 WeakPolarHBondContact O-CA 3.49Å; G552-V558 PolarHBondContact O-N 3.12Å
553	S	95.1	Very high	95.5	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.007	9%	0.089	C	C	.	.	S	Bend	trans	-99.9	6.5	173.6	64.7	0	0	0	0	112.9	Y160 C164 R165	Y160-S553 WeakPolarHBondContact CB-OG 3.18Å; Y160-S553 VanDerWaalsContact CD2-OG 3.28Å; Y160-S553 WeakPolarHBondContact CD2-OG 3.4Å; C164-S553 CarbonylContact C-O 3.54Å; C164-S553 WeakPolarHBondContact CA-O 3.31Å; C164-S553 VanDerWaalsContact SG-CB 3.52Å; C164-S553 PolarHBondContact SG-OG 2.79Å; R165-S553 WeakPolarHBondContact CG-O 3.2Å; R165-S553 PolarHBondContact N-O 3.14Å
554	D	92.4	Very high	95.4	Very high	14 Å²	14	21.9 Å²	21.9	8%	0.075	10%	0.099	C	C	.	.	S	Bend	trans	-75	171.9	167.4	67.7	-24.8	0	0	0	111.3	Y160 A163 R556 G557 V558	Y160-D554 HydrophobicContact CD1-CB 3.73Å; Y160-D554 HydrophobicContact CE1-CB 4.2Å; A163-D554 WeakPolarHBondContact O-CA 3.45Å; D554-R556 PolarHBondContact O-N 3.32Å; D554-R556 VanDerWaalsContact O-N 3.16Å; D554-G557 PolarHBondContact O-N 3.21Å; D554-G557 WeakPolarHBondContact OD1-CA 3.35Å; D554-G557 PolarHBondContact OD1-N 2.92Å; D554-V558 WeakPolarHBondContact O-CG2 3.34Å; D554-V558 PolarHBondContact O-N 3.2Å
555	T	90.5	Very high	95.3	Very high	15 Å²	15	21.8 Å²	21.8	9%	0.092	10%	0.099	C	C	.	.	H	α-helix	trans	-51.7	-43.1	179.9	-49.2	0	0	0	0	111.8	Y106 E107 R165 E559	Y106-T555 WeakPolarHBondContact O-CG2 3.44Å; E107-T555 WeakPolarHBondContact OE1-CB 3.47Å; E107-T555 PolarHBondContact OE1-OG1 3.01Å; R165-T555 WeakPolarHBondContact CD-OG1 3.25Å; T555-E559 WeakPolarHBondContact O-CB 3.46Å; T555-E559 WeakPolarHBondContact O-CG 3.43Å; T555-E559 PolarHBondContact O-N 2.83Å; T555-E559 VanDerWaalsContact O-N 3.09Å
556	R	90.1	Very high	95.3	Very high	107 Å²	107	20.1 Å²	20.1	40%	0.404	9%	0.09	S	C	.	.	H	α-helix	trans	-66.6	-44	179.7	-171.7	-173	77.6	-173.4	1.8	112	Y106 D554 K560	Y106-R556 HydrophobicContact CD2-CB 4.06Å; Y106-R556 HydrophobicContact CD2-CG 3.74Å; Y106-R556 HydrophobicContact CE2-CG 3.95Å; Y106-R556 HydrophobicContact CG-CB 4.44Å; D554-R556 PolarHBondContact O-N 3.32Å; D554-R556 VanDerWaalsContact O-N 3.16Å; R556-K560 VanDerWaalsContact O-CB 3.26Å; R556-K560 WeakPolarHBondContact O-CB 3.35Å; R556-K560 PolarHBondContact O-N 3.45Å
557	G	93.7	Very high	95.1	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-67.7	-41.5	-179.1	0	0	0	0	0	112.4	W551 G552 D554 K560 T561	W551-G557 WeakPolarHBondContact O-CA 3.32Å; G552-G557 CarbonylContact O-C 3.43Å; G552-G557 WeakPolarHBondContact O-CA 3.49Å; D554-G557 PolarHBondContact O-N 3.21Å; D554-G557 WeakPolarHBondContact OD1-CA 3.35Å; D554-G557 PolarHBondContact OD1-N 2.92Å; G557-K560 PolarHBondContact O-N 3.06Å; G557-T561 WeakPolarHBondContact O-CB 3.32Å; G557-T561 PolarHBondContact O-N 2.87Å; G557-T561 PolarHBondContact O-OG1 3.27Å
558	V	95.2	Very high	95.1	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.006	9%	0.09	C	C	.	.	H	α-helix	trans	-57.5	-52	172.4	169.7	0	0	0	0	110.7	I145 R165 L548 G552 D554 K560 T561 R562 L621	I145-V558 HydrophobicContact CD1-CB 4.49Å; I145-V558 HydrophobicContact CD1-CG1 3.81Å; I145-V558 HydrophobicContact CD1-CG2 4.05Å; R165-V558 HydrophobicContact CB-CG2 4.06Å; R165-V558 HydrophobicContact CG-CG2 3.79Å; L548-V558 HydrophobicContact CD2-CB 4.45Å; L548-V558 HydrophobicContact CD2-CG2 3.64Å; G552-V558 PolarHBondContact O-N 3.12Å; D554-V558 WeakPolarHBondContact O-CG2 3.34Å; D554-V558 PolarHBondContact O-N 3.2Å; V558-K560 VanDerWaalsContact C-N 3.32Å; V558-K560 PolarHBondContact O-N 3.44Å; V558-T561 WeakPolarHBondContact O-CA 3.42Å; V558-T561 WeakPolarHBondContact O-CB 3.44Å; V558-T561 PolarHBondContact O-N 2.76Å; V558-T561 VanDerWaalsContact O-N 3.13Å; V558-R562 PolarHBondContact O-N 3.24Å; V558-L621 HydrophobicContact CG1-CB 4.15Å; V558-L621 HydrophobicContact CG1-CD2 4.36Å
559	E	93.3	Very high	95	Very high	9 Å²	9	20 Å²	20	4%	0.042	9%	0.089	C	C	.	.	H	α-helix	trans	-70.5	-29.7	-177.2	-69	-54.2	119.7	0	0	112.8	Y106 T555 R562 N563 F628	Y106-E559 HydrophobicContact CD1-CB 3.93Å; Y106-E559 HydrophobicContact CD1-CG 3.91Å; Y106-E559 HydrophobicContact CE1-CB 3.3Å; Y106-E559 HydrophobicContact CE1-CG 3.67Å; T555-E559 WeakPolarHBondContact O-CB 3.46Å; T555-E559 WeakPolarHBondContact O-CG 3.43Å; T555-E559 PolarHBondContact O-N 2.83Å; T555-E559 VanDerWaalsContact O-N 3.09Å; E559-R562 PolarHBondContact O-N 3.18Å; E559-R562 IonicContact OE1-CZ 3.79Å; E559-R562 IonicContact OE1-NE 3.23Å; E559-R562 PolarHBondContact OE1-NE 3.44Å; E559-R562 IonicContact OE1-NH2 2.96Å; E559-R562 PolarHBondContact OE1-NH2 3.08Å; E559-R562 IonicContact OE2-NE 2.67Å; E559-R562 PolarHBondContact OE2-NE 2.96Å; E559-N563 PolarHBondContact O-N 2.78Å; E559-N563 PolarHBondContact O-ND2 2.79Å; E559-F628 WeakPolarHBondContact OE2-CE2 3.48Å
560	K	94.4	Very high	94.9	Very high	84 Å²	84	18.7 Å²	18.7	37%	0.365	8%	0.084	S	C	.	.	H	α-helix	trans	-65.4	-44	170.2	-171.5	169.8	179	-170.1	0	110.9	W551 R556 G557 V558 R562 N563 F564	W551-K560 HydrophobicContact CB-CB 4.31Å; W551-K560 HydrophobicContact CB-CD 4.01Å; W551-K560 HydrophobicContact CB-CG 4.29Å; W551-K560 VanDerWaalsContact CD1-NZ 3.29Å; W551-K560 HydrophobicContact CD2-CD 4.21Å; W551-K560 HydrophobicContact CD2-CG 4.02Å; W551-K560 HydrophobicContact CG-CB 4.42Å; W551-K560 HydrophobicContact CG-CD 3.63Å; W551-K560 HydrophobicContact CG-CG 3.9Å; R556-K560 VanDerWaalsContact O-CB 3.26Å; R556-K560 WeakPolarHBondContact O-CB 3.35Å; R556-K560 PolarHBondContact O-N 3.45Å; G557-K560 PolarHBondContact O-N 3.06Å; V558-K560 VanDerWaalsContact C-N 3.32Å; V558-K560 PolarHBondContact O-N 3.44Å; K560-R562 VanDerWaalsContact C-N 3.35Å; K560-N563 PolarHBondContact O-N 2.87Å; K560-F564 HydrophobicContact CD-CE2 4.5Å; K560-F564 HydrophobicContact CG-CD2 4.09Å; K560-F564 HydrophobicContact CG-CE2 3.86Å; K560-F564 VanDerWaalsContact O-CD2 3.24Å; K560-F564 WeakPolarHBondContact O-CD2 3.18Å; K560-F564 PolarHBondContact O-N 2.9Å
561	T	97.4	Very high	94.8	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-58.9	-46.9	174.8	-56.9	0	0	0	0	110.9	T544 G547 W551 G557 V558 N563 F564 L565 L621	T544-T561 HydrophobicContact CG2-CG2 4.23Å; G547-T561 VanDerWaalsContact C-OG1 3.3Å; G547-T561 PolarHBondContact O-OG1 3.04Å; W551-T561 HydrophobicContact CE3-CG2 4.45Å; W551-T561 HydrophobicContact CZ3-CG2 4.43Å; G557-T561 WeakPolarHBondContact O-CB 3.32Å; G557-T561 PolarHBondContact O-N 2.87Å; G557-T561 PolarHBondContact O-OG1 3.27Å; V558-T561 WeakPolarHBondContact O-CA 3.42Å; V558-T561 WeakPolarHBondContact O-CB 3.44Å; V558-T561 PolarHBondContact O-N 2.76Å; V558-T561 VanDerWaalsContact O-N 3.13Å; T561-N563 PolarHBondContact O-N 2.8Å; T561-F564 PolarHBondContact O-N 2.94Å; T561-L565 WeakPolarHBondContact O-CB 3.32Å; T561-L565 PolarHBondContact O-N 2.85Å; T561-L621 HydrophobicContact CG2-CD1 4.1Å; T561-L621 HydrophobicContact CG2-CD2 4.38Å
562	R	97.2	Very high	94.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-55.9	-48.5	176.2	-171	-175.8	-57	-83.9	2	112.1	V558 E559 K560 F564 L565 L566 S617 L621 G622 F628	V558-R562 PolarHBondContact O-N 3.24Å; E559-R562 PolarHBondContact O-N 3.18Å; E559-R562 IonicContact OE1-CZ 3.79Å; E559-R562 IonicContact OE1-NE 3.23Å; E559-R562 PolarHBondContact OE1-NE 3.44Å; E559-R562 IonicContact OE1-NH2 2.96Å; E559-R562 PolarHBondContact OE1-NH2 3.08Å; E559-R562 IonicContact OE2-NE 2.67Å; E559-R562 PolarHBondContact OE2-NE 2.96Å; K560-R562 VanDerWaalsContact C-N 3.35Å; R562-F564 VanDerWaalsContact C-N 3.32Å; R562-F564 PolarHBondContact O-N 3.25Å; R562-L565 WeakPolarHBondContact O-CB 3.45Å; R562-L565 PolarHBondContact O-N 3.41Å; R562-L566 HydrophobicContact CG-CD1 4.04Å; R562-L566 HydrophobicContact CG-CG 4.36Å; R562-L566 VanDerWaalsContact O-CG 3.28Å; R562-L566 WeakPolarHBondContact O-CG 3.49Å; R562-L566 PolarHBondContact O-N 3.38Å; R562-S617 PolarHBondContact NH1-O 2.97Å; R562-S617 VanDerWaalsContact NH1-O 3.17Å; R562-S617 PolarHBondContact NH1-OG 2.71Å; R562-L621 HydrophobicContact CB-CD1 3.72Å; R562-L621 HydrophobicContact CG-CD1 4.33Å; R562-L621 PolarHBondContact NH2-O 2.92Å; R562-G622 PolarHBondContact NH1-O 3.21Å; R562-G622 PolarHBondContact NH2-O 3.15Å; R562-F628 HydrophobicContact CG-CZ 4.3Å
563	N	95.3	Very high	94.8	Very high	45 Å²	45	17.9 Å²	17.9	24%	0.241	8%	0.082	C	C	.	.	H	α-helix	trans	-58.9	-43.2	179.9	-83.3	-68.2	0	0	0	112.2	E559 K560 T561 L566 E567	E559-N563 PolarHBondContact O-N 2.78Å; E559-N563 PolarHBondContact O-ND2 2.79Å; K560-N563 PolarHBondContact O-N 2.87Å; T561-N563 PolarHBondContact O-N 2.8Å; N563-L566 PolarHBondContact O-N 2.82Å; N563-E567 WeakPolarHBondContact O-CG 3.38Å; N563-E567 PolarHBondContact O-N 2.99Å; N563-E567 VanDerWaalsContact O-N 3.08Å
564	F	96.6	Very high	94.7	Very high	47 Å²	47	18.3 Å²	18.3	21%	0.206	8%	0.083	C	C	.	.	H	α-helix	trans	-72.7	-33.4	177.4	-74.5	-71.1	0	0	0	113.1	T304 F543 W551 K560 T561 R562 E567 W568	T304-F564 HydrophobicContact CG2-CD1 4.5Å; T304-F564 HydrophobicContact CG2-CE1 4.3Å; T304-F564 WeakPolarHBondContact O-CD1 3.39Å; T304-F564 VanDerWaalsContact O-CE1 3.26Å; T304-F564 WeakPolarHBondContact O-CE1 3.42Å; F543-F564 HydrophobicContact CE1-CB 4.45Å; F543-F564 HydrophobicContact CZ-CB 3.93Å; W551-F564 HydrophobicContact CD2-CD2 4.33Å; W551-F564 AromaticContact CE2-CD2 3.85Å; W551-F564 AromaticContact CE2-CE2 3.87Å; W551-F564 HydrophobicContact CE3-CD2 4.32Å; W551-F564 HydrophobicContact CH2-CB 3.67Å; W551-F564 HydrophobicContact CH2-CD1 4.49Å; W551-F564 AromaticContact CH2-CD2 3.33Å; W551-F564 HydrophobicContact CH2-CD2 3.33Å; W551-F564 HydrophobicContact CH2-CE2 4.08Å; W551-F564 AromaticContact CH2-CG 3.59Å; W551-F564 HydrophobicContact CH2-CG 3.59Å; W551-F564 HydrophobicContact CZ2-CB 4.48Å; W551-F564 AromaticContact CZ2-CD2 3.33Å; W551-F564 HydrophobicContact CZ2-CD2 3.33Å; W551-F564 AromaticContact CZ2-CE2 3.58Å; W551-F564 HydrophobicContact CZ2-CE2 3.58Å; W551-F564 AromaticContact CZ2-CG 3.91Å; W551-F564 HydrophobicContact CZ2-CG 3.91Å; W551-F564 HydrophobicContact CZ2-CZ 4.3Å; W551-F564 HydrophobicContact CZ3-CB 4.04Å; W551-F564 AromaticContact CZ3-CD2 3.86Å; W551-F564 HydrophobicContact CZ3-CD2 3.86Å; W551-F564 HydrophobicContact CZ3-CG 4.27Å; K560-F564 HydrophobicContact CD-CE2 4.5Å; K560-F564 HydrophobicContact CG-CD2 4.09Å; K560-F564 HydrophobicContact CG-CE2 3.86Å; K560-F564 VanDerWaalsContact O-CD2 3.24Å; K560-F564 WeakPolarHBondContact O-CD2 3.18Å; K560-F564 PolarHBondContact O-N 2.9Å; T561-F564 PolarHBondContact O-N 2.94Å; R562-F564 VanDerWaalsContact C-N 3.32Å; R562-F564 PolarHBondContact O-N 3.25Å; F564-E567 PolarHBondContact O-N 3.12Å; F564-W568 PolarHBondContact O-N 3.41Å
565	L	97.9	Very high	94.9	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-59.7	-47.9	171.5	174.7	65	0	0	0	110.6	L540 F543 T544 T561 R562 E567 W568 L569 L620 L621	L540-L565 HydrophobicContact CB-CD1 4.36Å; L540-L565 HydrophobicContact CD2-CD1 3.85Å; F543-L565 HydrophobicContact CD1-CB 4.17Å; F543-L565 HydrophobicContact CD1-CD1 3.99Å; F543-L565 HydrophobicContact CE1-CB 3.82Å; F543-L565 HydrophobicContact CE1-CD1 4.41Å; T544-L565 HydrophobicContact CG2-CD2 3.81Å; T561-L565 WeakPolarHBondContact O-CB 3.32Å; T561-L565 PolarHBondContact O-N 2.85Å; R562-L565 WeakPolarHBondContact O-CB 3.45Å; R562-L565 PolarHBondContact O-N 3.41Å; L565-E567 PolarHBondContact O-N 3.44Å; L565-W568 HydrophobicContact CD1-CE3 4.5Å; L565-W568 PolarHBondContact O-N 3.24Å; L565-W568 VanDerWaalsContact O-N 3.09Å; L565-L569 HydrophobicContact CD1-CD1 4.39Å; L565-L569 HydrophobicContact CD1-CG 4.33Å; L565-L569 HydrophobicContact CG-CD1 4.07Å; L565-L569 HydrophobicContact CG-CG 4.43Å; L565-L569 WeakPolarHBondContact O-CG 3.38Å; L565-L569 PolarHBondContact O-N 3.04Å; L565-L620 HydrophobicContact CD2-CD1 4.15Å; L565-L621 HydrophobicContact CD2-CD1 4.36Å
566	L	96.6	Very high	95.1	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-64.3	-38.3	178.8	-66.8	171.9	0	0	0	112.3	R562 N563 W568 L569 S570 W613 I614 F628 F630	R562-L566 HydrophobicContact CG-CD1 4.04Å; R562-L566 HydrophobicContact CG-CG 4.36Å; R562-L566 VanDerWaalsContact O-CG 3.28Å; R562-L566 WeakPolarHBondContact O-CG 3.49Å; R562-L566 PolarHBondContact O-N 3.38Å; N563-L566 PolarHBondContact O-N 2.82Å; L566-W568 VanDerWaalsContact C-N 3.28Å; L566-W568 PolarHBondContact O-N 3.35Å; L566-L569 HydrophobicContact CD2-CD1 4.3Å; L566-L569 PolarHBondContact O-N 3.45Å; L566-S570 PolarHBondContact O-N 2.65Å; L566-W613 VanDerWaalsContact CD2-C 3.46Å; L566-W613 HydrophobicContact CD2-CB 3.63Å; L566-W613 WeakPolarHBondContact CD2-O 3.29Å; L566-I614 HydrophobicContact CD1-CG1 4.35Å; L566-I614 HydrophobicContact CD2-CG1 4.24Å; L566-F628 HydrophobicContact CD1-CE1 3.79Å; L566-F628 HydrophobicContact CD1-CZ 3.7Å; L566-F630 HydrophobicContact CB-CD1 3.85Å; L566-F630 HydrophobicContact CB-CD2 3.96Å; L566-F630 HydrophobicContact CB-CE1 3.56Å; L566-F630 HydrophobicContact CB-CE2 3.69Å; L566-F630 HydrophobicContact CB-CG 4.03Å; L566-F630 HydrophobicContact CB-CZ 3.48Å; L566-F630 VanDerWaalsContact CB-CZ 3.48Å; L566-F630 HydrophobicContact CD1-CB 3.83Å; L566-F630 HydrophobicContact CD1-CD1 4.07Å; L566-F630 HydrophobicContact CD1-CD2 3.78Å; L566-F630 HydrophobicContact CD1-CE2 4.36Å; L566-F630 HydrophobicContact CD1-CG 3.61Å; L566-F630 HydrophobicContact CG-CD1 4.48Å; L566-F630 HydrophobicContact CG-CG 4.43Å
567	E	95.3	Very high	95.4	Very high	10 Å²	10	12.1 Å²	12.1	5%	0.047	6%	0.057	C	C	.	.	H	α-helix	trans	-62.2	-37.4	172.1	-69.1	-69.6	174	0	0	111.3	R98 T304 N563 F564 L565 S570 F571 F630 K633	R98-E567 IonicContact NH2-OE1 2.79Å; T304-E567 HydrophobicContact CG2-CB 4.27Å; T304-E567 HydrophobicContact CG2-CG 3.94Å; N563-E567 WeakPolarHBondContact O-CG 3.38Å; N563-E567 PolarHBondContact O-N 2.99Å; N563-E567 VanDerWaalsContact O-N 3.08Å; F564-E567 PolarHBondContact O-N 3.12Å; L565-E567 PolarHBondContact O-N 3.44Å; E567-S570 PolarHBondContact O-OG 2.78Å; E567-F571 WeakPolarHBondContact O-CD2 3.4Å; E567-F630 HydrophobicContact CB-CZ 4.46Å; E567-F630 HydrophobicContact CG-CE2 3.99Å; E567-F630 HydrophobicContact CG-CZ 3.78Å; E567-K633 WeakPolarHBondContact OE1-CB 3.47Å; E567-K633 PolarHBondContact OE1-N 3.48Å; E567-K633 WeakPolarHBondContact OE2-CB 3.33Å; E567-K633 PolarHBondContact OE2-N 3.4Å
568	W	96.9	Very high	95.5	Very high	3 Å²	3	13.5 Å²	13.5	1%	0.011	7%	0.065	C	C	.	.	H	α-helix	trans	-73.3	-41.7	177.1	-178.5	25.3	0	0	0	113	F310 V313 L514 P517 I539 L540 F543 F564 L565 L566 S570 F571 M572	F310-W568 AromaticContact CD2-CD2 3.86Å; F310-W568 HydrophobicContact CD2-CD2 3.86Å; F310-W568 AromaticContact CD2-CE2 3.78Å; F310-W568 HydrophobicContact CD2-CE3 4.21Å; F310-W568 HydrophobicContact CD2-CG 4.34Å; F310-W568 HydrophobicContact CD2-CH2 4.34Å; F310-W568 HydrophobicContact CD2-CZ2 4.07Å; F310-W568 HydrophobicContact CD2-CZ3 4.43Å; F310-W568 AromaticContact CE2-CD2 3.95Å; F310-W568 HydrophobicContact CE2-CD2 3.95Å; F310-W568 AromaticContact CE2-CE2 3.39Å; F310-W568 HydrophobicContact CE2-CG 4.37Å; F310-W568 HydrophobicContact CE2-CH2 4.29Å; F310-W568 AromaticContact CE2-CZ2 3.63Å; F310-W568 HydrophobicContact CE2-CZ2 3.63Å; F310-W568 AromaticContact CE2-NE1 3.48Å; V313-W568 HydrophobicContact CG1-CH2 4.3Å; L514-W568 PolarHBondContact O-NE1 3.49Å; P517-W568 HydrophobicContact CG-CH2 3.98Å; P517-W568 HydrophobicContact CG-CZ2 3.38Å; I539-W568 HydrophobicContact CG2-CH2 3.85Å; L540-W568 HydrophobicContact CD2-CE3 3.99Å; L540-W568 HydrophobicContact CD2-CH2 4Å; L540-W568 HydrophobicContact CD2-CZ3 3.63Å; F543-W568 HydrophobicContact CB-CE3 4.16Å; F543-W568 HydrophobicContact CB-CZ3 3.57Å; F543-W568 HydrophobicContact CD1-CE3 4.29Å; F543-W568 AromaticContact CD2-CE3 3.81Å; F543-W568 HydrophobicContact CD2-CE3 3.81Å; F543-W568 AromaticContact CD2-CZ3 3.9Å; F543-W568 HydrophobicContact CD2-CZ3 3.9Å; F543-W568 HydrophobicContact CE2-CE3 4.3Å; F543-W568 AromaticContact CG-CE3 3.81Å; F543-W568 HydrophobicContact CG-CE3 3.81Å; F543-W568 AromaticContact CG-CZ3 3.73Å; F543-W568 HydrophobicContact CG-CZ3 3.73Å; F564-W568 PolarHBondContact O-N 3.41Å; L565-W568 HydrophobicContact CD1-CE3 4.5Å; L565-W568 PolarHBondContact O-N 3.24Å; L565-W568 VanDerWaalsContact O-N 3.09Å; L566-W568 VanDerWaalsContact C-N 3.28Å; L566-W568 PolarHBondContact O-N 3.35Å; W568-S570 PolarHBondContact O-N 2.92Å; W568-S570 VanDerWaalsContact O-N 3.14Å; W568-F571 WeakPolarHBondContact O-CB 3.49Å; W568-F571 PolarHBondContact O-N 3.47Å; W568-M572 HydrophobicContact CZ2-SD 4.35Å; W568-M572 PolarHBondContact O-N 3.4Å; W568-M572 VanDerWaalsContact O-N 3.09Å
569	L	96.5	Very high	95.5	Very high	4 Å²	4	14.8 Å²	14.8	2%	0.021	8%	0.079	C	C	.	.	H	α-helix	trans	-55.1	-32.7	174.8	-75.9	171.5	0	0	0	112.3	L540 L565 L566 F571 M572 C573 W613 I616	L540-L569 HydrophobicContact CD1-CD2 3.8Å; L540-L569 HydrophobicContact CD2-CD2 4.18Å; L565-L569 HydrophobicContact CD1-CD1 4.39Å; L565-L569 HydrophobicContact CD1-CG 4.33Å; L565-L569 HydrophobicContact CG-CD1 4.07Å; L565-L569 HydrophobicContact CG-CG 4.43Å; L565-L569 WeakPolarHBondContact O-CG 3.38Å; L565-L569 PolarHBondContact O-N 3.04Å; L566-L569 HydrophobicContact CD2-CD1 4.3Å; L566-L569 PolarHBondContact O-N 3.45Å; L569-F571 PolarHBondContact O-N 3.17Å; L569-M572 PolarHBondContact O-N 3.14Å; L569-C573 WeakPolarHBondContact O-CB 3.35Å; L569-C573 PolarHBondContact O-N 2.65Å; L569-C573 PolarHBondContact O-SG 2.99Å; L569-W613 HydrophobicContact CB-CB 4.3Å; L569-W613 HydrophobicContact CB-CD2 4.43Å; L569-W613 HydrophobicContact CB-CG 4.11Å; L569-W613 HydrophobicContact CD1-CB 3.97Å; L569-I616 HydrophobicContact CD1-CB 4.25Å; L569-I616 HydrophobicContact CD1-CG2 4.16Å; L569-I616 HydrophobicContact CD2-CD1 4.31Å; L569-I616 HydrophobicContact CD2-CG2 4.44Å
570	S	93.3	Very high	95.6	Very high	7 Å²	7	14.4 Å²	14.4	5%	0.049	8%	0.077	C	C	.	.	H	α-helix	trans	-61	-15.8	174.2	82.9	0	0	0	0	115.1	L566 E567 W568	L566-S570 PolarHBondContact O-N 2.65Å; E567-S570 PolarHBondContact O-OG 2.78Å; W568-S570 PolarHBondContact O-N 2.92Å; W568-S570 VanDerWaalsContact O-N 3.14Å
571	F	94.3	Very high	95.7	Very high	17 Å²	17	11 Å²	11	8%	0.075	6%	0.063	C	C	.	.	H	α-helix	trans	-102.1	-44.6	170.9	-68.8	-92.7	0	0	0	112.1	L514 E567 W568 L569 C573 R574 H634	L514-F571 HydrophobicContact CB-CB 3.76Å; L514-F571 HydrophobicContact CB-CD1 4.14Å; L514-F571 HydrophobicContact CB-CG 3.93Å; L514-F571 HydrophobicContact CD1-CD1 3.9Å; L514-F571 HydrophobicContact CD1-CD2 4.19Å; L514-F571 HydrophobicContact CD1-CE1 3.94Å; L514-F571 HydrophobicContact CD1-CE2 4.23Å; L514-F571 HydrophobicContact CD1-CG 4.03Å; L514-F571 HydrophobicContact CD1-CZ 4.11Å; E567-F571 WeakPolarHBondContact O-CD2 3.4Å; W568-F571 WeakPolarHBondContact O-CB 3.49Å; W568-F571 PolarHBondContact O-N 3.47Å; L569-F571 PolarHBondContact O-N 3.17Å; F571-C573 PolarHBondContact O-N 2.84Å; F571-R574 VanDerWaalsContact O-CB 3.31Å; F571-R574 WeakPolarHBondContact O-CB 3.34Å; F571-R574 WeakPolarHBondContact O-CG 3.49Å; F571-R574 PolarHBondContact O-N 3.37Å; F571-R574 VanDerWaalsContact O-N 3.08Å; F571-H634 HydrophobicContact CE2-CB 4.03Å; F571-H634 HydrophobicContact CZ-CB 3.79Å; F571-H634 AromaticContact CZ-CG 3.94Å
572	M	94.8	Very high	95.5	Very high	5 Å²	5	17.9 Å²	17.9	3%	0.025	10%	0.095	C	C	.	.	H	α-helix	trans	-61.8	-30	-176.5	-172.8	175	171.2	0	0	112.5	W518 R536 L540 W568 L569 R574 Y575 M605	W518-M572 HydrophobicContact CH2-CE 4.42Å; R536-M572 HydrophobicContact CB-CE 3.73Å; R536-M572 HydrophobicContact CG-CE 3.93Å; L540-M572 HydrophobicContact CD2-SD 3.67Å; L540-M572 HydrophobicContact CG-SD 4.28Å; W568-M572 HydrophobicContact CZ2-SD 4.35Å; W568-M572 PolarHBondContact O-N 3.4Å; W568-M572 VanDerWaalsContact O-N 3.09Å; L569-M572 PolarHBondContact O-N 3.14Å; M572-R574 PolarHBondContact O-N 2.86Å; M572-Y575 VanDerWaalsContact O-CB 3.32Å; M572-Y575 WeakPolarHBondContact O-CB 3.47Å; M572-Y575 PolarHBondContact O-N 2.84Å; M572-M605 HydrophobicContact CE-SD 4.37Å
573	C	94.1	Very high	95.3	Very high	7 Å²	7	22.4 Å²	22.4	5%	0.047	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-11.4	175.4	68.4	0	0	0	0	114.7	L569 F571 M605 S607	L569-C573 WeakPolarHBondContact O-CB 3.35Å; L569-C573 PolarHBondContact O-N 2.65Å; L569-C573 PolarHBondContact O-SG 2.99Å; F571-C573 PolarHBondContact O-N 2.84Å; C573-M605 WeakPolarHBondContact CA-O 3.25Å; C573-M605 VanDerWaalsContact CB-O 3.32Å; C573-M605 WeakPolarHBondContact CB-O 3.46Å; C573-S607 WeakPolarHBondContact CB-O 3.31Å
574	R	93.7	Very high	95.1	Very high	10 Å²	10	23 Å²	23	4%	0.038	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-12.3	174	-59.5	-173.7	62.2	-167.5	-4.1	113.8	I515 F571 M572 Q586 I588 E590 R591	I515-R574 HydrophobicContact CD1-CB 4.3Å; I515-R574 HydrophobicContact CG1-CB 4.25Å; I515-R574 HydrophobicContact CG2-CB 4.46Å; F571-R574 VanDerWaalsContact O-CB 3.31Å; F571-R574 WeakPolarHBondContact O-CB 3.34Å; F571-R574 WeakPolarHBondContact O-CG 3.49Å; F571-R574 PolarHBondContact O-N 3.37Å; F571-R574 VanDerWaalsContact O-N 3.08Å; M572-R574 PolarHBondContact O-N 2.86Å; R574-Q586 PolarHBondContact O-NE2 2.67Å; R574-Q586 PolarHBondContact O-OE1 3.47Å; R574-I588 PolarHBondContact NH2-O 3.17Å; R574-E590 PolarHBondContact NH2-O 2.98Å; R574-E590 VanDerWaalsContact NH2-O 3.12Å; R574-R591 VanDerWaalsContact NE-NH1 3.12Å
575	Y	95.3	Very high	94.9	Very high	4 Å²	4	22 Å²	22	2%	0.016	12%	0.116	C	C	.	.			trans	-67.6	131.3	176.5	175.8	-111.8	0	0	0	109.3	K516 W518 W529 M572 P577 Y595	K516-Y575 HydrophobicContact CB-CD2 4.19Å; K516-Y575 HydrophobicContact CD-CD2 4.13Å; K516-Y575 HydrophobicContact CD-CE2 4.03Å; K516-Y575 HydrophobicContact CG-CD2 4.41Å; W518-Y575 HydrophobicContact CH2-CD1 4.28Å; W518-Y575 HydrophobicContact CH2-CE1 4.26Å; W518-Y575 HydrophobicContact CZ2-CD1 4.02Å; W518-Y575 HydrophobicContact CZ2-CD2 4.04Å; W518-Y575 AromaticContact CZ2-CE1 3.7Å; W518-Y575 HydrophobicContact CZ2-CE1 3.7Å; W518-Y575 AromaticContact CZ2-CE2 3.73Å; W518-Y575 HydrophobicContact CZ2-CE2 3.73Å; W518-Y575 HydrophobicContact CZ2-CG 4.18Å; W518-Y575 AromaticContact CZ2-CZ 3.55Å; W529-Y575 PolarHBondContact O-OH 3.29Å; M572-Y575 VanDerWaalsContact O-CB 3.32Å; M572-Y575 WeakPolarHBondContact O-CB 3.47Å; M572-Y575 PolarHBondContact O-N 2.84Å; Y575-P577 HydrophobicContact CE1-CG 4.26Å; Y575-Y595 PolarHBondContact O-OH 2.97Å
576	I	96	Very high	94.5	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.01	12%	0.118	C	C	.	.			trans	-113.1	124.9	171.1	-56.7	164.5	0	0	0	106.4	A22 I24 L580 L581 Q586 P592 Y595	A22-I576 HydrophobicContact CB-CD1 3.2Å; I24-I576 HydrophobicContact CD1-CD1 3.99Å; I24-I576 HydrophobicContact CD1-CG1 4.35Å; I24-I576 HydrophobicContact CD1-CG2 3.94Å; I24-I576 HydrophobicContact CG1-CD1 4.23Å; I24-I576 HydrophobicContact CG1-CG2 4.06Å; I576-L580 HydrophobicContact CG2-CB 4.23Å; I576-L581 HydrophobicContact CB-CD2 4.01Å; I576-L581 HydrophobicContact CB-CG 4.36Å; I576-L581 HydrophobicContact CD1-CD2 4.07Å; I576-L581 HydrophobicContact CG2-CD2 3.69Å; I576-L581 HydrophobicContact CG2-CG 3.92Å; I576-Q586 HydrophobicContact CD1-CG 4.4Å; I576-P592 HydrophobicContact CD1-CB 3.87Å; I576-P592 HydrophobicContact CG1-CB 3.95Å; I576-Y595 HydrophobicContact CG1-CE1 4.25Å
577	P	96.3	Very high	94.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.14	C	C	.	.			trans	-52.6	140.3	174.6	-27.6	35.3	0	0	0	112.2	D530 Y575 G579 L580 L581 E602	D530-P577 WeakPolarHBondContact OD1-CB 3.44Å; Y575-P577 HydrophobicContact CE1-CG 4.26Å; P577-G579 VanDerWaalsContact C-N 3.27Å; P577-G579 PolarHBondContact O-N 2.93Å; P577-L580 HydrophobicContact CB-CB 4.43Å; P577-L580 HydrophobicContact CB-CD1 4.15Å; P577-L580 HydrophobicContact CB-CD2 4.2Å; P577-L580 HydrophobicContact CB-CG 4.48Å; P577-L580 HydrophobicContact CG-CD2 4.01Å; P577-L580 WeakPolarHBondContact O-CB 3.47Å; P577-L580 PolarHBondContact O-N 3.41Å; P577-L581 PolarHBondContact O-N 3.34Å; P577-E602 HydrophobicContact CG-CG 3.97Å; P577-E602 WeakPolarHBondContact CG-OE2 3.25Å
578	V	95.4	Very high	93.6	Very high	28 Å²	28	27.8 Å²	27.8	17%	0.17	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-64.2	-37.9	-172.8	177.8	0	0	0	0	110.6	H528 D530 L580 L581 V584	H528-V578 HydrophobicContact CB-CG1 4.22Å; H528-V578 HydrophobicContact CB-CG2 4.24Å; D530-V578 HydrophobicContact CB-CB 4.01Å; D530-V578 PolarHBondContact OD1-N 3.44Å; D530-V578 VanDerWaalsContact OD1-N 3.12Å; V578-L580 PolarHBondContact O-N 3.4Å; V578-L580 VanDerWaalsContact O-N 3.13Å; V578-L581 PolarHBondContact O-N 3.07Å; V578-V584 HydrophobicContact CG1-CG1 4.18Å; V578-V584 HydrophobicContact CG1-CG2 3.88Å
579	G	94.9	Very high	93	Very high	29 Å²	29	31.7 Å²	31.7	30%	0.299	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-63.3	-15.9	176.9	0	0	0	0	0	114.9	K25 D530 P577	K25-G579 WeakPolarHBondContact CE-O 3.43Å; K25-G579 PolarHBondContact NZ-O 3.26Å; D530-G579 PolarHBondContact OD2-N 2.86Å; D530-G579 VanDerWaalsContact OD2-N 3.12Å; P577-G579 VanDerWaalsContact C-N 3.27Å; P577-G579 PolarHBondContact O-N 2.93Å
580	L	96.3	Very high	92.5	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-96.1	-18.9	-179.3	-84.5	52.7	0	0	0	112.4	I24 K25 F28 I576 P577 V578 Y595 R598	I24-L580 WeakPolarHBondContact CA-O 3.42Å; I24-L580 HydrophobicContact CG2-CB 4.5Å; I24-L580 WeakPolarHBondContact CG2-O 3.43Å; K25-L580 PolarHBondContact N-O 2.79Å; F28-L580 HydrophobicContact CD1-CD2 4.38Å; F28-L580 HydrophobicContact CD1-CG 4.09Å; F28-L580 HydrophobicContact CD2-CB 4.38Å; F28-L580 HydrophobicContact CD2-CG 3.88Å; F28-L580 HydrophobicContact CE1-CD1 4.15Å; F28-L580 HydrophobicContact CE1-CG 4.13Å; F28-L580 HydrophobicContact CE2-CD1 4.14Å; F28-L580 HydrophobicContact CE2-CG 3.95Å; F28-L580 HydrophobicContact CG-CD2 4.47Å; F28-L580 HydrophobicContact CG-CG 3.96Å; F28-L580 HydrophobicContact CZ-CD1 3.91Å; F28-L580 HydrophobicContact CZ-CG 4.07Å; I576-L580 HydrophobicContact CG2-CB 4.23Å; P577-L580 HydrophobicContact CB-CB 4.43Å; P577-L580 HydrophobicContact CB-CD1 4.15Å; P577-L580 HydrophobicContact CB-CD2 4.2Å; P577-L580 HydrophobicContact CB-CG 4.48Å; P577-L580 HydrophobicContact CG-CD2 4.01Å; P577-L580 WeakPolarHBondContact O-CB 3.47Å; P577-L580 PolarHBondContact O-N 3.41Å; V578-L580 PolarHBondContact O-N 3.4Å; V578-L580 VanDerWaalsContact O-N 3.13Å; L580-Y595 HydrophobicContact CD2-CD2 3.86Å; L580-Y595 HydrophobicContact CD2-CE2 3.6Å; L580-R598 HydrophobicContact CD1-CG 3.79Å
581	L	95.4	Very high	92.2	Very high	11 Å²	11	35.6 Å²	35.6	6%	0.058	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-73	138	177.9	-68.7	169.9	0	0	0	110.3	A23 I576 P577 V578 V584 Q586	A23-L581 WeakPolarHBondContact O-CA 3.46Å; A23-L581 WeakPolarHBondContact O-CD2 3.27Å; I576-L581 HydrophobicContact CB-CD2 4.01Å; I576-L581 HydrophobicContact CB-CG 4.36Å; I576-L581 HydrophobicContact CD1-CD2 4.07Å; I576-L581 HydrophobicContact CG2-CD2 3.69Å; I576-L581 HydrophobicContact CG2-CG 3.92Å; P577-L581 PolarHBondContact O-N 3.34Å; V578-L581 PolarHBondContact O-N 3.07Å; L581-V584 HydrophobicContact CB-CG2 4.13Å; L581-V584 HydrophobicContact CD1-CG2 4.39Å; L581-Q586 HydrophobicContact CD1-CB 4.09Å; L581-Q586 HydrophobicContact CD2-CB 4.48Å
582	E	94.4	Very high	92	Very high	146 Å²	146	35.3 Å²	35.3	68%	0.682	18%	0.176	S	C	*	.	S	Bend	trans	-75.8	-37.5	167.2	-175	-172	-179	0	0	110.3	A23 K25	A23-E582 HydrophobicContact CB-CB 4.1Å; A23-E582 PolarHBondContact O-N 3.36Å; K25-E582 HydrophobicContact CG-CB 4.45Å
583	R	92.1	Very high	91.8	Very high	95 Å²	95	36.4 Å²	36.4	36%	0.358	18%	0.184	S	C	.	.	S	Bend	trans	-127.9	126.6	177	-177.1	-177.7	58.7	69.5	4.9	111	A23 P585 E590	A23-R583 HydrophobicContact CB-CB 4.48Å; R583-P585 PolarHBondContact NH1-O 3.14Å; R583-P585 VanDerWaalsContact NH1-O 3.13Å; R583-E590 IonicContact CZ-OE1 3.3Å; R583-E590 IonicContact NH2-OE1 3.94Å; R583-E590 PolarHBondContact NH2-OE1 3.08Å; R583-E590 IonicContact NH2-OE2 2.84Å
584	V	91.8	Very high	91.8	Very high	56 Å²	56	40.1 Å²	40.1	34%	0.339	20%	0.197	S	C	.	.	S	Bend	trans	-104	143.2	173.4	-163.8	0	0	0	0	109.1	H528 V578 L581	H528-V584 VanDerWaalsContact CD2-CG1 3.46Å; H528-V584 WeakPolarHBondContact CD2-CG1 3.37Å; H528-V584 VanDerWaalsContact CE1-CG1 3.46Å; H528-V584 WeakPolarHBondContact CE1-CG1 3.35Å; H528-V584 WeakPolarHBondContact NE2-CG1 3.39Å; V578-V584 HydrophobicContact CG1-CG1 4.18Å; V578-V584 HydrophobicContact CG1-CG2 3.88Å; L581-V584 HydrophobicContact CB-CG2 4.13Å; L581-V584 HydrophobicContact CD1-CG2 4.39Å
585	P	91.1	Very high	91.9	Very high	28 Å²	28	39.8 Å²	39.8	18%	0.182	20%	0.196	C	C	.	.	S	Bend	cis	-81.7	157.1	-6.5	33	-34.8	0	0	0	114.1	S492 R583	S492-P585 VanDerWaalsContact CB-CB 3.47Å; R583-P585 PolarHBondContact NH1-O 3.14Å; R583-P585 VanDerWaalsContact NH1-O 3.13Å
586	Q	90.1	Very high	91.9	Very high	12 Å²	12	41.4 Å²	41.4	6%	0.056	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-59.9	132.6	162	-178.4	-172.4	10.1	0	0	108.9	L491 R574 I576 L581	L491-Q586 HydrophobicContact CD2-CB 4.46Å; L491-Q586 HydrophobicContact CD2-CG 4.23Å; L491-Q586 WeakPolarHBondContact CD2-O 3.44Å; R574-Q586 PolarHBondContact O-NE2 2.67Å; R574-Q586 PolarHBondContact O-OE1 3.47Å; I576-Q586 HydrophobicContact CD1-CG 4.4Å; L581-Q586 HydrophobicContact CD1-CB 4.09Å; L581-Q586 HydrophobicContact CD2-CB 4.48Å
587	K	87.3	Confident	91.9	Very high	106 Å²	106	41.9 Å²	41.9	46%	0.461	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-89.3	150.5	175.9	-57.8	-177.6	-179.7	174.4	0	111.5	N589 E590	K587-N589 VanDerWaalsContact CB-OD1 3.23Å; K587-N589 WeakPolarHBondContact CB-OD1 3.45Å; K587-N589 PolarHBondContact O-N 3.23Å; K587-N589 VanDerWaalsContact O-N 3.11Å; K587-E590 HydrophobicContact CB-CG 3.94Å; K587-E590 WeakPolarHBondContact CD-OE1 3.43Å; K587-E590 WeakPolarHBondContact CG-OE1 3.26Å; K587-E590 PolarHBondContact N-OE2 3.22Å; K587-E590 WeakPolarHBondContact O-CB 3.33Å; K587-E590 PolarHBondContact O-N 3.32Å
588	I	84.9	Confident	91.9	Very high	12 Å²	12	46.8 Å²	46.8	6%	0.062	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-24.9	-176.8	-165	59.9	0	0	0	114.6	D489 L491 R511 I515 R574	D489-I588 HydrophobicContact CB-CG2 3.71Å; L491-I588 HydrophobicContact CD1-CD1 4.35Å; L491-I588 HydrophobicContact CD2-CB 4.36Å; L491-I588 HydrophobicContact CD2-CD1 4.1Å; R511-I588 HydrophobicContact CB-CD1 4.1Å; I515-I588 HydrophobicContact CD1-CD1 3.85Å; R574-I588 PolarHBondContact NH2-O 3.17Å
589	N	84.5	Confident	92	Very high	86 Å²	86	48.6 Å²	48.6	46%	0.46	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-13.2	178.6	61.8	-40.7	0	0	0	112.7	K587	K587-N589 VanDerWaalsContact CB-OD1 3.23Å; K587-N589 WeakPolarHBondContact CB-OD1 3.45Å; K587-N589 PolarHBondContact O-N 3.23Å; K587-N589 VanDerWaalsContact O-N 3.11Å
590	E	87.3	Confident	92	Very high	15 Å²	15	49.1 Å²	49.1	7%	0.07	23%	0.23	C	C	.	.			trans	-73.9	141.5	175	-69.4	165	-174.7	0	0	110.2	G20 A22 R574 R583 K587	G20-E590 CarbonylContact O-C 3.31Å; G20-E590 VanDerWaalsContact O-CA 3.32Å; G20-E590 WeakPolarHBondContact O-CA 3.41Å; A22-E590 HydrophobicContact CB-CB 4.02Å; R574-E590 PolarHBondContact NH2-O 2.98Å; R574-E590 VanDerWaalsContact NH2-O 3.12Å; R583-E590 IonicContact CZ-OE1 3.3Å; R583-E590 IonicContact NH2-OE1 3.94Å; R583-E590 PolarHBondContact NH2-OE1 3.08Å; R583-E590 IonicContact NH2-OE2 2.84Å; K587-E590 HydrophobicContact CB-CG 3.94Å; K587-E590 WeakPolarHBondContact CD-OE1 3.43Å; K587-E590 WeakPolarHBondContact CG-OE1 3.26Å; K587-E590 PolarHBondContact N-OE2 3.22Å; K587-E590 WeakPolarHBondContact O-CB 3.33Å; K587-E590 PolarHBondContact O-N 3.32Å
591	R	86.6	Confident	92	Very high	77 Å²	77	50.2 Å²	50.2	29%	0.291	24%	0.236	S	C	.	.	B	Isolated β-bridge	trans	-113.1	138	175.7	-60.3	-58.1	-179	147.8	8.9	109.4	G20 E21 A22 R574 P593 A636 N637	G20-R591 PolarHBondContact O-N 3.32Å; E21-R591 CarbonylContact C-O 3.54Å; E21-R591 WeakPolarHBondContact CA-O 3.42Å; A22-R591 PolarHBondContact N-O 3.12Å; R574-R591 VanDerWaalsContact NE-NH1 3.12Å; R591-P593 WeakPolarHBondContact O-CD 3.41Å; R591-A636 PolarHBondContact NH1-O 3.41Å; R591-A636 PolarHBondContact NH2-O 3.02Å; R591-N637 PolarHBondContact NH2-O 2.86Å
592	P	89.4	Confident	92.1	Very high	11 Å²	11	49.7 Å²	49.7	7%	0.071	23%	0.233	C	C	.	.			trans	-62.4	128	171.8	24.5	-30.3	0	0	0	109.1	I576 Y595	I576-P592 HydrophobicContact CD1-CB 3.87Å; I576-P592 HydrophobicContact CG1-CB 3.95Å; P592-Y595 HydrophobicContact CB-CD1 4.17Å; P592-Y595 HydrophobicContact CB-CE1 3.81Å
593	P	91.4	Very high	92.2	Very high	28 Å²	28	42.8 Å²	42.8	18%	0.182	20%	0.201	C	C	.	.			trans	-64.3	178.7	159.3	31.4	-35.4	0	0	0	109.7	I24 I29 R591 Y595	I24-P593 HydrophobicContact CD1-CG 4Å; I24-P593 HydrophobicContact CG1-CG 4.47Å; I29-P593 HydrophobicContact CD1-CB 4.38Å; I29-P593 HydrophobicContact CD1-CG 3.6Å; R591-P593 WeakPolarHBondContact O-CD 3.41Å; P593-Y595 WeakPolarHBondContact O-CD1 3.44Å; P593-Y595 PolarHBondContact O-N 3.33Å
594	Y	93.3	Very high	92.4	Very high	86 Å²	86	38.2 Å²	38.2	34%	0.337	18%	0.184	S	C	.	.	S	Bend	trans	-68.7	124.2	168.5	-72.8	-82.8	0	0	0	109.1	T30 K32 F35 H36	T30-Y594 PolarHBondContact N-O 2.84Å; T30-Y594 WeakPolarHBondContact O-CB 3.33Å; K32-Y594 HydrophobicContact CB-CD1 4.42Å; K32-Y594 HydrophobicContact CB-CD2 3.92Å; K32-Y594 HydrophobicContact CB-CE1 4.22Å; K32-Y594 HydrophobicContact CB-CE2 3.71Å; K32-Y594 HydrophobicContact CB-CG 4.28Å; K32-Y594 HydrophobicContact CD-CE2 4.15Å; K32-Y594 HydrophobicContact CG-CE1 3.92Å; K32-Y594 HydrophobicContact CG-CE2 3.9Å; F35-Y594 HydrophobicContact CB-CD1 3.93Å; F35-Y594 AromaticContact CD1-CD1 3.98Å; F35-Y594 HydrophobicContact CD1-CD1 3.98Å; F35-Y594 HydrophobicContact CD1-CE1 4.22Å; F35-Y594 HydrophobicContact CD2-CD1 4.13Å; F35-Y594 AromaticContact CG-CD1 3.76Å; F35-Y594 HydrophobicContact CG-CD1 3.76Å; F35-Y594 HydrophobicContact CG-CE1 4.45Å; H36-Y594 AromaticContact NE2-CE1 3.8Å
595	Y	95.7	Very high	92.6	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.008	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-141.7	148.8	178.4	74.2	-86.8	0	0	0	110.5	I24 F28 F35 Y575 I576 L580 P592 P593 A606	I24-Y595 HydrophobicContact CD1-CD1 3.38Å; I24-Y595 HydrophobicContact CD1-CD2 4.32Å; I24-Y595 HydrophobicContact CD1-CE1 3.94Å; I24-Y595 HydrophobicContact CD1-CG 3.6Å; F28-Y595 CarbonylContact O-C 3.43Å; F28-Y595 WeakPolarHBondContact O-CA 3.45Å; F28-Y595 WeakPolarHBondContact O-CB 3.41Å; F35-Y595 VanDerWaalsContact CD2-O 3.29Å; F35-Y595 WeakPolarHBondContact CD2-O 3.34Å; F35-Y595 VanDerWaalsContact CE2-O 3.23Å; F35-Y595 WeakPolarHBondContact CE2-O 3.25Å; Y575-Y595 PolarHBondContact O-OH 2.97Å; I576-Y595 HydrophobicContact CG1-CE1 4.25Å; L580-Y595 HydrophobicContact CD2-CD2 3.86Å; L580-Y595 HydrophobicContact CD2-CE2 3.6Å; P592-Y595 HydrophobicContact CB-CD1 4.17Å; P592-Y595 HydrophobicContact CB-CE1 3.81Å; P593-Y595 WeakPolarHBondContact O-CD1 3.44Å; P593-Y595 PolarHBondContact O-N 3.33Å; Y595-A606 HydrophobicContact CE1-CB 3.84Å; Y595-A606 HydrophobicContact CE2-CB 4.27Å; Y595-A606 WeakPolarHBondContact OH-CB 3.23Å
596	M	96.6	Very high	92.8	Very high	38 Å²	38	35 Å²	35	19%	0.187	16%	0.164	C	C	.	.			trans	-84.7	126.9	167.9	-74.3	-67.4	94.5	0	0	109.9	F28 T30 F35 F38	F28-M596 VanDerWaalsContact CD1-O 3.25Å; F28-M596 WeakPolarHBondContact CD1-O 3.38Å; F28-M596 PolarHBondContact O-N 3.11Å; T30-M596 HydrophobicContact CG2-CE 4.08Å; T30-M596 HydrophobicContact CG2-CG 4.04Å; F35-M596 HydrophobicContact CB-CE 3.81Å; F35-M596 HydrophobicContact CD2-CE 2.97Å; F35-M596 HydrophobicContact CE2-CE 3.55Å; F35-M596 HydrophobicContact CG-CE 3.56Å; F38-M596 HydrophobicContact CB-SD 4.09Å; F38-M596 HydrophobicContact CD1-CE 4.05Å; F38-M596 HydrophobicContact CD1-SD 3.34Å; F38-M596 WeakPolarHBondContact CD1-SD 3.37Å; F38-M596 HydrophobicContact CE1-SD 3.85Å; F38-M596 HydrophobicContact CG-SD 3.74Å
597	G	95.6	Very high	93.1	Very high	12 Å²	12	34.4 Å²	34.4	12%	0.124	16%	0.161	C	C	.	.			trans	-66.7	172.2	168.1	0	0	0	0	0	112.1	N599 S603	G597-N599 PolarHBondContact O-N 3.38Å; G597-N599 VanDerWaalsContact O-N 3.15Å; G597-S603 PolarHBondContact N-OG 2.97Å
598	R	95.9	Very high	93.2	Very high	103 Å²	103	34.3 Å²	34.3	39%	0.389	16%	0.162	S	C	.	.	S	Bend	trans	-61.8	-20.8	174.8	-66	168.6	-71	-165	-1.3	113.6	F28 D530 L580 E602	F28-R598 HydrophobicContact CE1-CG 4.42Å; D530-R598 IonicContact OD1-CZ 3.79Å; D530-R598 IonicContact OD1-NH1 3.37Å; D530-R598 IonicContact OD1-NH2 2.76Å; D530-R598 PolarHBondContact OD1-NH2 3.1Å; D530-R598 IonicContact OD2-CZ 3.07Å; D530-R598 IonicContact OD2-NH1 3.37Å; D530-R598 PolarHBondContact OD2-NH1 3.37Å; L580-R598 HydrophobicContact CD1-CG 3.79Å; R598-E602 WeakPolarHBondContact CB-OE1 3.49Å; R598-E602 VanDerWaalsContact CG-OE1 3.3Å; R598-E602 WeakPolarHBondContact CG-OE1 3.39Å; R598-E602 IonicContact CZ-OE1 2.75Å; R598-E602 IonicContact CZ-OE2 2.74Å; R598-E602 PolarHBondContact N-OE1 2.93Å; R598-E602 IonicContact NE-OE1 2.71Å; R598-E602 PolarHBondContact NE-OE1 2.91Å; R598-E602 IonicContact NE-OE2 3.11Å; R598-E602 PolarHBondContact NE-OE2 3.23Å; R598-E602 IonicContact NH2-OE1 3.73Å; R598-E602 IonicContact NH2-OE2 3.32Å; R598-E602 PolarHBondContact NH2-OE2 3.42Å
599	N	96.4	Very high	93.5	Very high	67 Å²	67	36.7 Å²	36.7	36%	0.358	18%	0.175	S	C	.	.	S	Bend	trans	-154.4	171.7	178.1	56.7	57	0	0	0	110.7	S533 G597 L601 E602 S603	S533-N599 VanDerWaalsContact OG-CG 3.27Å; S533-N599 PolarHBondContact OG-ND2 2.88Å; S533-N599 PolarHBondContact OG-OD1 3.19Å; G597-N599 PolarHBondContact O-N 3.38Å; G597-N599 VanDerWaalsContact O-N 3.15Å; N599-L601 VanDerWaalsContact C-N 3.33Å; N599-L601 PolarHBondContact O-N 2.99Å; N599-L601 PolarHBondContact OD1-N 3.42Å; N599-E602 WeakPolarHBondContact O-CB 3.3Å; N599-E602 PolarHBondContact O-N 2.97Å; N599-E602 VanDerWaalsContact O-N 3.15Å; N599-E602 PolarHBondContact OD1-N 3.15Å; N599-S603 PolarHBondContact O-N 3.33Å; N599-S603 VanDerWaalsContact O-N 3.09Å; N599-S603 PolarHBondContact O-OG 3.11Å
600	Y	96.4	Very high	93.9	Very high	39 Å²	39	34 Å²	34	15%	0.153	16%	0.162	C	C	.	.	H	α-helix	trans	-49.5	-49.8	179.3	171.8	-108.9	0	0	0	113.3	F38 L39 E42 W43 E602 S603 L604 M619	F38-Y600 HydrophobicContact CE1-CD2 4.16Å; F38-Y600 HydrophobicContact CZ-CD2 4.47Å; L39-Y600 HydrophobicContact CD2-CD2 4.01Å; L39-Y600 HydrophobicContact CD2-CE2 3.77Å; E42-Y600 HydrophobicContact CB-CD2 3.28Å; E42-Y600 HydrophobicContact CB-CE2 3.45Å; E42-Y600 VanDerWaalsContact CB-CE2 3.45Å; E42-Y600 HydrophobicContact CB-CG 4Å; E42-Y600 HydrophobicContact CG-CD2 3.77Å; E42-Y600 HydrophobicContact CG-CE2 4.37Å; E42-Y600 HydrophobicContact CG-CG 4.4Å; W43-Y600 VanDerWaalsContact CE3-OH 3.28Å; Y600-E602 VanDerWaalsContact C-N 3.31Å; Y600-E602 PolarHBondContact O-N 3.41Å; Y600-S603 PolarHBondContact O-N 3.3Å; Y600-L604 HydrophobicContact CE1-CD2 4.07Å; Y600-L604 WeakPolarHBondContact O-CB 3.46Å; Y600-L604 PolarHBondContact O-N 3.15Å; Y600-M619 HydrophobicContact CE1-CE 4.32Å
601	L	96.8	Very high	94.1	Very high	25 Å²	25	37.7 Å²	37.7	13%	0.131	18%	0.182	C	C	.	.	H	α-helix	trans	-65.4	-35.5	-176.1	-175.5	61.6	0	0	0	112.1	S533 L537 N599 L604 M605 M619	S533-L601 WeakPolarHBondContact O-CD2 3.17Å; L537-L601 HydrophobicContact CB-CD2 4.06Å; L537-L601 HydrophobicContact CD2-CD2 3.96Å; N599-L601 VanDerWaalsContact C-N 3.33Å; N599-L601 PolarHBondContact O-N 2.99Å; N599-L601 PolarHBondContact OD1-N 3.42Å; L601-L604 HydrophobicContact CD1-CD2 4.43Å; L601-L604 PolarHBondContact O-N 2.83Å; L601-M605 HydrophobicContact CD1-CE 3.92Å; L601-M605 HydrophobicContact CD2-CE 4.25Å; L601-M605 HydrophobicContact CG-CE 3.92Å; L601-M605 WeakPolarHBondContact O-CB 3.4Å; L601-M605 VanDerWaalsContact O-CG 3.31Å; L601-M605 WeakPolarHBondContact O-CG 3.38Å; L601-M605 PolarHBondContact O-N 2.93Å; L601-M619 HydrophobicContact CD1-SD 4.24Å
602	E	96.3	Very high	94.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-65.9	-45.1	174.5	-173.8	151.9	100.3	0	0	112	R536 P577 R598 N599 Y600 L604 M605 A606	R536-E602 IonicContact CZ-OE2 3.77Å; R536-E602 IonicContact NH2-OE2 2.83Å; R536-E602 PolarHBondContact NH2-OE2 3.27Å; P577-E602 HydrophobicContact CG-CG 3.97Å; P577-E602 WeakPolarHBondContact CG-OE2 3.25Å; R598-E602 WeakPolarHBondContact CB-OE1 3.49Å; R598-E602 VanDerWaalsContact CG-OE1 3.3Å; R598-E602 WeakPolarHBondContact CG-OE1 3.39Å; R598-E602 IonicContact CZ-OE1 2.75Å; R598-E602 IonicContact CZ-OE2 2.74Å; R598-E602 PolarHBondContact N-OE1 2.93Å; R598-E602 IonicContact NE-OE1 2.71Å; R598-E602 PolarHBondContact NE-OE1 2.91Å; R598-E602 IonicContact NE-OE2 3.11Å; R598-E602 PolarHBondContact NE-OE2 3.23Å; R598-E602 IonicContact NH2-OE1 3.73Å; R598-E602 IonicContact NH2-OE2 3.32Å; R598-E602 PolarHBondContact NH2-OE2 3.42Å; N599-E602 WeakPolarHBondContact O-CB 3.3Å; N599-E602 PolarHBondContact O-N 2.97Å; N599-E602 VanDerWaalsContact O-N 3.15Å; N599-E602 PolarHBondContact OD1-N 3.15Å; Y600-E602 VanDerWaalsContact C-N 3.31Å; Y600-E602 PolarHBondContact O-N 3.41Å; E602-L604 VanDerWaalsContact C-N 3.35Å; E602-M605 PolarHBondContact O-N 3.47Å; E602-A606 PolarHBondContact O-N 3.15Å; E602-A606 VanDerWaalsContact O-N 3.08Å
603	S	96.9	Very high	94.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-61.2	-43.1	173.1	-61.5	0	0	0	0	111.4	F35 G597 N599 Y600 M605 A606 S607	F35-S603 VanDerWaalsContact CZ-O 3.29Å; F35-S603 WeakPolarHBondContact CZ-O 3.33Å; G597-S603 PolarHBondContact N-OG 2.97Å; N599-S603 PolarHBondContact O-N 3.33Å; N599-S603 VanDerWaalsContact O-N 3.09Å; N599-S603 PolarHBondContact O-OG 3.11Å; Y600-S603 PolarHBondContact O-N 3.3Å; S603-M605 PolarHBondContact O-N 3.09Å; S603-A606 WeakPolarHBondContact O-CB 3.29Å; S603-A606 PolarHBondContact O-N 3.14Å; S603-A606 VanDerWaalsContact O-N 3.12Å; S603-S607 PolarHBondContact O-N 2.87Å
604	L	96.9	Very high	95	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-61.3	-44.3	179.1	-173.8	69.4	0	0	0	111.2	L39 Y600 L601 E602 A606 S607 D612 I616 M619	L39-L604 HydrophobicContact CD1-CD1 4.41Å; L39-L604 HydrophobicContact CD2-CB 4.12Å; L39-L604 HydrophobicContact CD2-CD1 4.3Å; Y600-L604 HydrophobicContact CE1-CD2 4.07Å; Y600-L604 WeakPolarHBondContact O-CB 3.46Å; Y600-L604 PolarHBondContact O-N 3.15Å; L601-L604 HydrophobicContact CD1-CD2 4.43Å; L601-L604 PolarHBondContact O-N 2.83Å; E602-L604 VanDerWaalsContact C-N 3.35Å; L604-A606 VanDerWaalsContact C-N 3.28Å; L604-A606 PolarHBondContact O-N 2.82Å; L604-S607 WeakPolarHBondContact O-CB 3.45Å; L604-S607 PolarHBondContact O-N 3.37Å; L604-D612 HydrophobicContact CD1-CB 3.68Å; L604-I616 HydrophobicContact CD2-CD1 4.38Å; L604-I616 HydrophobicContact CD2-CG1 3.58Å; L604-I616 HydrophobicContact CG-CD1 4.09Å; L604-I616 HydrophobicContact CG-CG1 3.81Å; L604-M619 HydrophobicContact CD2-CE 3.52Å
605	M	96.2	Very high	95.1	Very high	7 Å²	7	31.5 Å²	31.5	3%	0.034	16%	0.155	C	C	.	.	H	α-helix	trans	-67.5	-26.1	176.2	-72.8	-176.3	-176	0	0	113.4	R536 L537 L540 M572 C573 L601 E602 S603 S607 I616	R536-M605 HydrophobicContact CB-CE 4.17Å; R536-M605 HydrophobicContact CB-SD 3.82Å; R536-M605 PolarHBondContact NH1-SD 3.17Å; R536-M605 VanDerWaalsContact NH1-SD 3.45Å; L537-M605 HydrophobicContact CB-CE 3.8Å; L537-M605 HydrophobicContact CD1-CE 4.09Å; L540-M605 HydrophobicContact CD1-CE 4.09Å; M572-M605 HydrophobicContact CE-SD 4.37Å; C573-M605 WeakPolarHBondContact CA-O 3.25Å; C573-M605 VanDerWaalsContact CB-O 3.32Å; C573-M605 WeakPolarHBondContact CB-O 3.46Å; L601-M605 HydrophobicContact CD1-CE 3.92Å; L601-M605 HydrophobicContact CD2-CE 4.25Å; L601-M605 HydrophobicContact CG-CE 3.92Å; L601-M605 WeakPolarHBondContact O-CB 3.4Å; L601-M605 VanDerWaalsContact O-CG 3.31Å; L601-M605 WeakPolarHBondContact O-CG 3.38Å; L601-M605 PolarHBondContact O-N 2.93Å; E602-M605 PolarHBondContact O-N 3.47Å; S603-M605 PolarHBondContact O-N 3.09Å; M605-S607 VanDerWaalsContact C-N 3.31Å; M605-I616 HydrophobicContact CG-CD1 3.97Å
606	A	95.4	Very high	95.2	Very high	8 Å²	8	31.5 Å²	31.5	7%	0.066	16%	0.155	C	C	.	.	H	α-helix	trans	-77.4	-16.7	175.7	0	0	0	0	0	113.1	Y595 E602 S603 L604	Y595-A606 HydrophobicContact CE1-CB 3.84Å; Y595-A606 HydrophobicContact CE2-CB 4.27Å; Y595-A606 WeakPolarHBondContact OH-CB 3.23Å; E602-A606 PolarHBondContact O-N 3.15Å; E602-A606 VanDerWaalsContact O-N 3.08Å; S603-A606 WeakPolarHBondContact O-CB 3.29Å; S603-A606 PolarHBondContact O-N 3.14Å; S603-A606 VanDerWaalsContact O-N 3.12Å; L604-A606 VanDerWaalsContact C-N 3.28Å; L604-A606 PolarHBondContact O-N 2.82Å
607	S	94.4	Very high	95.2	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.007	15%	0.146	C	C	.	.			trans	-61.9	140.2	-177.5	-174.4	0	0	0	0	112	C573 S603 L604 M605 N609 D612 W613	C573-S607 WeakPolarHBondContact CB-O 3.31Å; S603-S607 PolarHBondContact O-N 2.87Å; L604-S607 WeakPolarHBondContact O-CB 3.45Å; L604-S607 PolarHBondContact O-N 3.37Å; M605-S607 VanDerWaalsContact C-N 3.31Å; S607-N609 PolarHBondContact OG-N 3.23Å; S607-N609 VanDerWaalsContact OG-N 3.11Å; S607-D612 VanDerWaalsContact CB-OD2 3.25Å; S607-D612 WeakPolarHBondContact CB-OD2 3.38Å; S607-D612 PolarHBondContact OG-OD2 3.03Å; S607-W613 PolarHBondContact O-NE1 3.19Å
608	Q	90.9	Very high	95.2	Very high	103 Å²	103	31.2 Å²	31.2	48%	0.481	15%	0.15	S	C	.	.			trans	-95.4	2	171.8	-61.9	-178.6	35.9	0	0	112.4
609	N	91.7	Very high	95.2	Very high	62 Å²	62	30 Å²	30	33%	0.332	15%	0.149	S	C	.	.			trans	-81.8	135.7	177.6	-168.2	2.4	0	0	0	110.8	S607 D611 D612 W613	S607-N609 PolarHBondContact OG-N 3.23Å; S607-N609 VanDerWaalsContact OG-N 3.11Å; N609-D611 VanDerWaalsContact C-N 3.28Å; N609-D611 PolarHBondContact O-N 3.19Å; N609-D611 PolarHBondContact OD1-N 3.04Å; N609-D612 PolarHBondContact O-N 2.79Å; N609-W613 PolarHBondContact O-N 2.89Å
610	V	91.7	Very high	95.2	Very high	30 Å²	30	27.8 Å²	27.8	18%	0.182	14%	0.138	C	C	.	.	H	α-helix	trans	-64.6	-35.3	179	172.3	0	0	0	0	111.3	D612 W613 I614 F630	V610-D612 VanDerWaalsContact C-N 3.27Å; V610-D612 PolarHBondContact O-N 3.25Å; V610-W613 HydrophobicContact CB-CE3 4.37Å; V610-W613 HydrophobicContact CG2-CE3 3.96Å; V610-W613 HydrophobicContact CG2-CH2 4.48Å; V610-W613 HydrophobicContact CG2-CZ3 3.78Å; V610-W613 WeakPolarHBondContact O-CB 3.38Å; V610-W613 PolarHBondContact O-N 2.55Å; V610-W613 VanDerWaalsContact O-N 3.14Å; V610-I614 HydrophobicContact CG1-CD1 3.96Å; V610-I614 HydrophobicContact CG1-CG1 4.34Å; V610-I614 WeakPolarHBondContact O-CG1 3.47Å; V610-I614 PolarHBondContact O-N 2.7Å; V610-F630 HydrophobicContact CG1-CB 4.15Å; V610-F630 HydrophobicContact CG1-CD1 3.87Å
611	D	91.8	Very high	95.2	Very high	93 Å²	93	26 Å²	26	50%	0.497	13%	0.131	S	C	.	.	H	α-helix	trans	-63.2	-36.3	-179.6	-61.3	-33.9	0	0	0	111.4	N609 I614 R615	N609-D611 VanDerWaalsContact C-N 3.28Å; N609-D611 PolarHBondContact O-N 3.19Å; N609-D611 PolarHBondContact OD1-N 3.04Å; D611-I614 WeakPolarHBondContact O-CB 3.47Å; D611-I614 PolarHBondContact O-N 2.91Å; D611-R615 WeakPolarHBondContact O-CG 3.34Å; D611-R615 PolarHBondContact O-N 3Å
612	D	94.8	Very high	95.1	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.011	13%	0.128	C	C	.	.	H	α-helix	trans	-69.2	-36.6	175.3	-67.1	-38.8	0	0	0	112	L604 S607 N609 V610 I614 R615 I616	L604-D612 HydrophobicContact CD1-CB 3.68Å; S607-D612 VanDerWaalsContact CB-OD2 3.25Å; S607-D612 WeakPolarHBondContact CB-OD2 3.38Å; S607-D612 PolarHBondContact OG-OD2 3.03Å; N609-D612 PolarHBondContact O-N 2.79Å; V610-D612 VanDerWaalsContact C-N 3.27Å; V610-D612 PolarHBondContact O-N 3.25Å; D612-I614 VanDerWaalsContact C-N 3.29Å; D612-I614 PolarHBondContact O-N 3.09Å; D612-R615 WeakPolarHBondContact O-CB 3.14Å; D612-R615 PolarHBondContact O-N 3.13Å; D612-R615 IonicContact OD1-CZ 2.71Å; D612-R615 IonicContact OD1-NE 2.77Å; D612-R615 IonicContact OD1-NH1 3.33Å; D612-R615 PolarHBondContact OD1-NH1 2.83Å; D612-I616 WeakPolarHBondContact O-CG1 3.26Å; D612-I616 PolarHBondContact O-N 3.44Å
613	W	95.9	Very high	94.9	Very high	13 Å²	13	30 Å²	30	5%	0.049	16%	0.16	C	C	.	.	H	α-helix	trans	-65.4	-36.3	172.1	-53.6	-17.9	0	0	0	111.6	L566 L569 S607 N609 V610 I616 S617 F630 P632	L566-W613 VanDerWaalsContact CD2-C 3.46Å; L566-W613 HydrophobicContact CD2-CB 3.63Å; L566-W613 WeakPolarHBondContact CD2-O 3.29Å; L569-W613 HydrophobicContact CB-CB 4.3Å; L569-W613 HydrophobicContact CB-CD2 4.43Å; L569-W613 HydrophobicContact CB-CG 4.11Å; L569-W613 HydrophobicContact CD1-CB 3.97Å; S607-W613 PolarHBondContact O-NE1 3.19Å; N609-W613 PolarHBondContact O-N 2.89Å; V610-W613 HydrophobicContact CB-CE3 4.37Å; V610-W613 HydrophobicContact CG2-CE3 3.96Å; V610-W613 HydrophobicContact CG2-CH2 4.48Å; V610-W613 HydrophobicContact CG2-CZ3 3.78Å; V610-W613 WeakPolarHBondContact O-CB 3.38Å; V610-W613 PolarHBondContact O-N 2.55Å; V610-W613 VanDerWaalsContact O-N 3.14Å; W613-I616 PolarHBondContact O-N 3.19Å; W613-S617 PolarHBondContact O-N 3.39Å; W613-F630 HydrophobicContact CE3-CE1 4.38Å; W613-F630 HydrophobicContact CZ3-CE1 4.43Å; W613-P632 HydrophobicContact CH2-CG 4.49Å; W613-P632 HydrophobicContact CZ3-CB 4.24Å; W613-P632 HydrophobicContact CZ3-CG 4.02Å
614	I	95.1	Very high	94.6	Very high	20 Å²	20	31.7 Å²	31.7	10%	0.103	17%	0.17	C	C	.	.	H	α-helix	trans	-62.2	-47.3	173.2	-69.5	168.3	0	0	0	109.5	L566 V610 D611 D612 I616 S617 E618 V624 F628	L566-I614 HydrophobicContact CD1-CG1 4.35Å; L566-I614 HydrophobicContact CD2-CG1 4.24Å; V610-I614 HydrophobicContact CG1-CD1 3.96Å; V610-I614 HydrophobicContact CG1-CG1 4.34Å; V610-I614 WeakPolarHBondContact O-CG1 3.47Å; V610-I614 PolarHBondContact O-N 2.7Å; D611-I614 WeakPolarHBondContact O-CB 3.47Å; D611-I614 PolarHBondContact O-N 2.91Å; D612-I614 VanDerWaalsContact C-N 3.29Å; D612-I614 PolarHBondContact O-N 3.09Å; I614-I616 VanDerWaalsContact C-N 3.33Å; I614-I616 PolarHBondContact O-N 3.24Å; I614-S617 CarbonylContact O-C 3.54Å; I614-S617 WeakPolarHBondContact O-CA 3.34Å; I614-S617 WeakPolarHBondContact O-CB 3.32Å; I614-S617 PolarHBondContact O-N 2.92Å; I614-S617 PolarHBondContact O-OG 2.85Å; I614-E618 HydrophobicContact CG2-CG 4.28Å; I614-E618 WeakPolarHBondContact O-CG 3.42Å; I614-E618 PolarHBondContact O-N 3.03Å; I614-V624 HydrophobicContact CG2-CG1 3.72Å; I614-V624 HydrophobicContact CG2-CG2 4.12Å; I614-F628 HydrophobicContact CD1-CD1 4.09Å; I614-F628 HydrophobicContact CD1-CE1 4.08Å; I614-F628 HydrophobicContact CG1-CD1 4.49Å; I614-F628 HydrophobicContact CG1-CE1 4.13Å
615	R	95.9	Very high	94	Very high	37 Å²	37	34.7 Å²	34.7	14%	0.14	19%	0.189	C	C	.	.	H	α-helix	trans	-52.8	-47.9	174.9	-66.6	172.5	-174.2	173.3	-9.4	111.9	D40 W43 D611 D612 S617 E618 M619	D40-R615 IonicContact OD1-CZ 3.91Å; D40-R615 IonicContact OD1-NH1 3.97Å; D40-R615 PolarHBondContact OD1-NH1 3.44Å; D40-R615 IonicContact OD1-NH2 3.32Å; D40-R615 PolarHBondContact OD1-NH2 2.98Å; W43-R615 HydrophobicContact CD2-CG 4.07Å; W43-R615 HydrophobicContact CE3-CB 4.4Å; W43-R615 HydrophobicContact CE3-CG 4.42Å; W43-R615 HydrophobicContact CH2-CB 3.79Å; W43-R615 HydrophobicContact CH2-CG 4.05Å; W43-R615 HydrophobicContact CZ2-CB 3.96Å; W43-R615 HydrophobicContact CZ2-CG 3.68Å; W43-R615 HydrophobicContact CZ3-CB 4.04Å; W43-R615 HydrophobicContact CZ3-CG 4.42Å; D611-R615 WeakPolarHBondContact O-CG 3.34Å; D611-R615 PolarHBondContact O-N 3Å; D612-R615 WeakPolarHBondContact O-CB 3.14Å; D612-R615 PolarHBondContact O-N 3.13Å; D612-R615 IonicContact OD1-CZ 2.71Å; D612-R615 IonicContact OD1-NE 2.77Å; D612-R615 IonicContact OD1-NH1 3.33Å; D612-R615 PolarHBondContact OD1-NH1 2.83Å; R615-S617 VanDerWaalsContact C-N 3.32Å; R615-S617 PolarHBondContact O-N 2.98Å; R615-E618 PolarHBondContact O-N 3.44Å; R615-E618 VanDerWaalsContact O-N 3.14Å; R615-M619 WeakPolarHBondContact O-CG 3.49Å; R615-M619 PolarHBondContact O-N 3.37Å
616	I	97.3	Very high	93.2	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	23%	0.232	C	C	.	.	H	α-helix	trans	-59.4	-44.1	175.4	-63.1	166.6	0	0	0	111	L537 L540 L569 L604 M605 D612 W613 I614 E618 M619	L537-I616 HydrophobicContact CD1-CG2 4.36Å; L540-I616 HydrophobicContact CD1-CG2 3.74Å; L569-I616 HydrophobicContact CD1-CB 4.25Å; L569-I616 HydrophobicContact CD1-CG2 4.16Å; L569-I616 HydrophobicContact CD2-CD1 4.31Å; L569-I616 HydrophobicContact CD2-CG2 4.44Å; L604-I616 HydrophobicContact CD2-CD1 4.38Å; L604-I616 HydrophobicContact CD2-CG1 3.58Å; L604-I616 HydrophobicContact CG-CD1 4.09Å; L604-I616 HydrophobicContact CG-CG1 3.81Å; M605-I616 HydrophobicContact CG-CD1 3.97Å; D612-I616 WeakPolarHBondContact O-CG1 3.26Å; D612-I616 PolarHBondContact O-N 3.44Å; W613-I616 PolarHBondContact O-N 3.19Å; I614-I616 VanDerWaalsContact C-N 3.33Å; I614-I616 PolarHBondContact O-N 3.24Å; I616-E618 VanDerWaalsContact C-N 3.27Å; I616-E618 PolarHBondContact O-N 2.99Å; I616-M619 WeakPolarHBondContact O-CB 3.4Å; I616-M619 PolarHBondContact O-N 3.42Å
617	S	97.3	Very high	92.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-64.4	-32.8	178.3	81.6	0	0	0	0	112.5	R562 W613 I614 R615 M619 L620 L621	R562-S617 PolarHBondContact NH1-O 2.97Å; R562-S617 VanDerWaalsContact NH1-O 3.17Å; R562-S617 PolarHBondContact NH1-OG 2.71Å; W613-S617 PolarHBondContact O-N 3.39Å; I614-S617 CarbonylContact O-C 3.54Å; I614-S617 WeakPolarHBondContact O-CA 3.34Å; I614-S617 WeakPolarHBondContact O-CB 3.32Å; I614-S617 PolarHBondContact O-N 2.92Å; I614-S617 PolarHBondContact O-OG 2.85Å; R615-S617 VanDerWaalsContact C-N 3.32Å; R615-S617 PolarHBondContact O-N 2.98Å; S617-M619 VanDerWaalsContact C-N 3.34Å; S617-L620 PolarHBondContact O-N 3.09Å; S617-L621 WeakPolarHBondContact O-CB 3.35Å; S617-L621 PolarHBondContact O-N 3.5Å
618	E	95.6	Very high	92	Very high	44 Å²	44	53.8 Å²	53.8	21%	0.206	28%	0.278	C	S	.	.	H	α-helix	trans	-68.1	-33.5	176.3	-66.9	-174.9	138.4	0	0	112.7	I614 R615 I616 L620 G622 V624	I614-E618 HydrophobicContact CG2-CG 4.28Å; I614-E618 WeakPolarHBondContact O-CG 3.42Å; I614-E618 PolarHBondContact O-N 3.03Å; R615-E618 PolarHBondContact O-N 3.44Å; R615-E618 VanDerWaalsContact O-N 3.14Å; I616-E618 VanDerWaalsContact C-N 3.27Å; I616-E618 PolarHBondContact O-N 2.99Å; E618-L620 PolarHBondContact O-N 3.32Å; E618-G622 VanDerWaalsContact CA-O 3.26Å; E618-G622 WeakPolarHBondContact CA-O 3.29Å; E618-G622 VanDerWaalsContact O-CA 3.25Å; E618-G622 WeakPolarHBondContact O-CA 3.34Å; E618-G622 PolarHBondContact O-N 3.19Å; E618-V624 HydrophobicContact CG-CG1 4.11Å; E618-V624 PolarHBondContact OE1-N 3.27Å; E618-V624 VanDerWaalsContact OE1-N 3.09Å
619	M	95.6	Very high	91.6	Very high	77 Å²	77	54.5 Å²	54.5	38%	0.379	29%	0.285	S	S	.	.	H	α-helix	trans	-60.8	-29.3	173	-60.5	171.9	-179.8	0	0	112.6	W43 Y600 L601 L604 R615 I616 S617	W43-M619 HydrophobicContact CE3-CE 4.38Å; W43-M619 HydrophobicContact CH2-CE 4.46Å; W43-M619 HydrophobicContact CZ3-CE 3.6Å; Y600-M619 HydrophobicContact CE1-CE 4.32Å; L601-M619 HydrophobicContact CD1-SD 4.24Å; L604-M619 HydrophobicContact CD2-CE 3.52Å; R615-M619 WeakPolarHBondContact O-CG 3.49Å; R615-M619 PolarHBondContact O-N 3.37Å; I616-M619 WeakPolarHBondContact O-CB 3.4Å; I616-M619 PolarHBondContact O-N 3.42Å; S617-M619 VanDerWaalsContact C-N 3.34Å
620	L	96.3	Very high	91.4	Very high	22 Å²	22	51.9 Å²	51.9	12%	0.115	27%	0.271	C	S	.	.	H	α-helix	trans	-104.7	-30.4	-173.3	-62.1	173.2	0	0	0	113.8	L537 L540 R541 T544 L565 S617 E618	L537-L620 HydrophobicContact CD1-CD1 4.21Å; L537-L620 HydrophobicContact CD1-CD2 4.03Å; L537-L620 HydrophobicContact CD1-CG 4.22Å; L537-L620 HydrophobicContact CG-CD2 4.34Å; L540-L620 HydrophobicContact CB-CD1 3.54Å; R541-L620 HydrophobicContact CB-CD2 3.86Å; R541-L620 HydrophobicContact CG-CD2 4.1Å; T544-L620 HydrophobicContact CG2-CB 4.05Å; T544-L620 HydrophobicContact CG2-CD1 4.1Å; L565-L620 HydrophobicContact CD2-CD1 4.15Å; S617-L620 PolarHBondContact O-N 3.09Å; E618-L620 PolarHBondContact O-N 3.32Å
621	L	96.1	Very high	91	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-128.5	12.4	-171.1	-64.2	172.8	0	0	0	112.3	I145 T544 L548 V558 T561 R562 L565 S617	I145-L621 WeakPolarHBondContact CD1-O 3.48Å; I145-L621 WeakPolarHBondContact CG2-O 3.29Å; T544-L621 HydrophobicContact CG2-CD1 3.97Å; T544-L621 HydrophobicContact CG2-CD2 4.07Å; T544-L621 HydrophobicContact CG2-CG 3.93Å; L548-L621 HydrophobicContact CD2-CD2 4.24Å; V558-L621 HydrophobicContact CG1-CB 4.15Å; V558-L621 HydrophobicContact CG1-CD2 4.36Å; T561-L621 HydrophobicContact CG2-CD1 4.1Å; T561-L621 HydrophobicContact CG2-CD2 4.38Å; R562-L621 HydrophobicContact CB-CD1 3.72Å; R562-L621 HydrophobicContact CG-CD1 4.33Å; R562-L621 PolarHBondContact NH2-O 2.92Å; L565-L621 HydrophobicContact CD2-CD1 4.36Å; S617-L621 WeakPolarHBondContact O-CB 3.35Å; S617-L621 PolarHBondContact O-N 3.5Å
622	G	94.1	Very high	90.6	Very high	8 Å²	8	48.4 Å²	48.4	8%	0.082	25%	0.252	C	S	.	.			trans	72.5	179.9	179.9	0	0	0	0	0	114.1	R562 E618	R562-G622 PolarHBondContact NH1-O 3.21Å; R562-G622 PolarHBondContact NH2-O 3.15Å; E618-G622 VanDerWaalsContact CA-O 3.26Å; E618-G622 WeakPolarHBondContact CA-O 3.29Å; E618-G622 VanDerWaalsContact O-CA 3.25Å; E618-G622 WeakPolarHBondContact O-CA 3.34Å; E618-G622 PolarHBondContact O-N 3.19Å
623	P	92.1	Very high	89.7	Confident	101 Å²	101	51.5 Å²	51.5	66%	0.656	27%	0.265	S	S	*	.	P	Polyproline II helix	trans	-61.7	146	-173.2	26.4	-35	0	0	0	112.3
624	V	90.6	Very high	88.3	Confident	35 Å²	35	54 Å²	54	21%	0.212	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-76.9	154.5	173.7	-61.5	0	0	0	0	111.9	I614 E618 F628	I614-V624 HydrophobicContact CG2-CG1 3.72Å; I614-V624 HydrophobicContact CG2-CG2 4.12Å; E618-V624 HydrophobicContact CG-CG1 4.11Å; E618-V624 PolarHBondContact OE1-N 3.27Å; E618-V624 VanDerWaalsContact OE1-N 3.09Å; V624-F628 HydrophobicContact CB-CB 3.73Å; V624-F628 HydrophobicContact CB-CD1 4.08Å; V624-F628 HydrophobicContact CB-CD2 4.46Å; V624-F628 HydrophobicContact CB-CG 3.85Å; V624-F628 HydrophobicContact CG1-CD1 3.96Å; V624-F628 HydrophobicContact CG1-CE1 4.33Å; V624-F628 HydrophobicContact CG1-CG 4.12Å; V624-F628 HydrophobicContact CG2-CB 3.94Å; V624-F628 HydrophobicContact CG2-CD1 4.39Å; V624-F628 HydrophobicContact CG2-CG 4.37Å
625	P	84.8	Confident	86.4	Confident	63 Å²	63	57.5 Å²	57.5	41%	0.409	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-57.2	148.6	169.2	-24.3	33.3	0	0	0	112.3	N627 F628	P625-N627 PolarHBondContact O-N 3.26Å; P625-F628 WeakPolarHBondContact O-CB 3.46Å; P625-F628 PolarHBondContact O-N 3.31Å
626	K	79.2	Confident	84	Confident	217 Å²	217	57.2 Å²	57.2	94%	0.943	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-31.9	-176.1	-67.8	-175.5	178.7	-178.6	0	115.1
627	N	81.2	Confident	81.2	Confident	157 Å²	157	61.8 Å²	61.8	84%	0.84	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	20.9	-179.1	-63.3	-30.1	0	0	0	112.8	P625 N629	P625-N627 PolarHBondContact O-N 3.26Å; N627-N629 PolarHBondContact O-N 2.99Å
628	F	84.8	Confident	78.1	Confident	43 Å²	43	66 Å²	66	19%	0.189	35%	0.351	C	S	.	.			trans	-66	130.4	178.1	-175	-92.2	0	0	0	110.2	E559 R562 L566 I614 V624 P625 F630	E559-F628 WeakPolarHBondContact OE2-CE2 3.48Å; R562-F628 HydrophobicContact CG-CZ 4.3Å; L566-F628 HydrophobicContact CD1-CE1 3.79Å; L566-F628 HydrophobicContact CD1-CZ 3.7Å; I614-F628 HydrophobicContact CD1-CD1 4.09Å; I614-F628 HydrophobicContact CD1-CE1 4.08Å; I614-F628 HydrophobicContact CG1-CD1 4.49Å; I614-F628 HydrophobicContact CG1-CE1 4.13Å; V624-F628 HydrophobicContact CB-CB 3.73Å; V624-F628 HydrophobicContact CB-CD1 4.08Å; V624-F628 HydrophobicContact CB-CD2 4.46Å; V624-F628 HydrophobicContact CB-CG 3.85Å; V624-F628 HydrophobicContact CG1-CD1 3.96Å; V624-F628 HydrophobicContact CG1-CE1 4.33Å; V624-F628 HydrophobicContact CG1-CG 4.12Å; V624-F628 HydrophobicContact CG2-CB 3.94Å; V624-F628 HydrophobicContact CG2-CD1 4.39Å; V624-F628 HydrophobicContact CG2-CG 4.37Å; P625-F628 WeakPolarHBondContact O-CB 3.46Å; P625-F628 PolarHBondContact O-N 3.31Å; F628-F630 HydrophobicContact CE1-CB 3.83Å; F628-F630 HydrophobicContact CZ-CB 4.23Å
629	N	82.8	Confident	74.8	Confident	119 Å²	119	74.4 Å²	74.4	64%	0.636	38%	0.382	S	S	*	.			trans	-139.7	132.2	174.7	-175.2	4.9	0	0	0	108.9	N627	N627-N629 PolarHBondContact O-N 2.99Å
630	F	86.4	Confident	71.5	Confident	6 Å²	6	81.8 Å²	81.8	3%	0.026	41%	0.412	C	S	.	.			trans	-121	135.8	178	179	-99.4	0	0	0	110.6	L566 E567 V610 W613 F628 P632	L566-F630 HydrophobicContact CB-CD1 3.85Å; L566-F630 HydrophobicContact CB-CD2 3.96Å; L566-F630 HydrophobicContact CB-CE1 3.56Å; L566-F630 HydrophobicContact CB-CE2 3.69Å; L566-F630 HydrophobicContact CB-CG 4.03Å; L566-F630 HydrophobicContact CB-CZ 3.48Å; L566-F630 VanDerWaalsContact CB-CZ 3.48Å; L566-F630 HydrophobicContact CD1-CB 3.83Å; L566-F630 HydrophobicContact CD1-CD1 4.07Å; L566-F630 HydrophobicContact CD1-CD2 3.78Å; L566-F630 HydrophobicContact CD1-CE2 4.36Å; L566-F630 HydrophobicContact CD1-CG 3.61Å; L566-F630 HydrophobicContact CG-CD1 4.48Å; L566-F630 HydrophobicContact CG-CG 4.43Å; E567-F630 HydrophobicContact CB-CZ 4.46Å; E567-F630 HydrophobicContact CG-CE2 3.99Å; E567-F630 HydrophobicContact CG-CZ 3.78Å; V610-F630 HydrophobicContact CG1-CB 4.15Å; V610-F630 HydrophobicContact CG1-CD1 3.87Å; W613-F630 HydrophobicContact CE3-CE1 4.38Å; W613-F630 HydrophobicContact CZ3-CE1 4.43Å; F628-F630 HydrophobicContact CE1-CB 3.83Å; F628-F630 HydrophobicContact CZ-CB 4.23Å; F630-P632 HydrophobicContact CE1-CB 3.93Å; F630-P632 HydrophobicContact CE1-CG 4.45Å; F630-P632 HydrophobicContact CZ-CB 4.32Å
631	L	84	Confident	70.3	Confident	38 Å²	38	84.8 Å²	84.8	20%	0.199	43%	0.427	C	S	.	.			trans	-130.2	112.5	173	179	71.9	0	0	0	108.3	F91 R98 K633	F91-L631 HydrophobicContact CB-CD2 3.77Å; F91-L631 HydrophobicContact CG-CD2 4.49Å; R98-L631 HydrophobicContact CG-CD2 4.47Å; R98-L631 PolarHBondContact NE-O 3.39Å; R98-L631 PolarHBondContact NH2-O 3.34Å; L631-K633 PolarHBondContact O-N 3.4Å
632	P	81.9	Confident	68.9	Low	13 Å²	13	89.2 Å²	89.2	8%	0.084	45%	0.449	C	S	.	.			trans	-57.2	133.7	-176.6	22.6	-34.3	0	0	0	111.3	W613 F630 H634	W613-P632 HydrophobicContact CH2-CG 4.49Å; W613-P632 HydrophobicContact CZ3-CB 4.24Å; W613-P632 HydrophobicContact CZ3-CG 4.02Å; F630-P632 HydrophobicContact CE1-CB 3.93Å; F630-P632 HydrophobicContact CE1-CG 4.45Å; F630-P632 HydrophobicContact CZ-CB 4.32Å; P632-H634 VanDerWaalsContact C-N 3.29Å
633	K	76.6	Confident	67.5	Low	67 Å²	67	93.7 Å²	93.7	29%	0.291	47%	0.47	S	S	.	.	S	Bend	trans	-66.3	-38.3	177.4	-177.8	175.9	173.2	-172.4	0	110.9	T304 E567 L631	T304-K633 HydrophobicContact CG2-CD 4.01Å; T304-K633 WeakPolarHBondContact OG1-CD 3.39Å; T304-K633 WeakPolarHBondContact OG1-CE 3.38Å; T304-K633 PolarHBondContact OG1-NZ 3.19Å; E567-K633 WeakPolarHBondContact OE1-CB 3.47Å; E567-K633 PolarHBondContact OE1-N 3.48Å; E567-K633 WeakPolarHBondContact OE2-CB 3.33Å; E567-K633 PolarHBondContact OE2-N 3.4Å; L631-K633 PolarHBondContact O-N 3.4Å
634	H	66.9	Low	66.1	Low	64 Å²	64	93.2 Å²	93.2	30%	0.296	46%	0.459	S	S	.	.			trans	-98	93.8	173.2	-59.2	-73.2	0	0	0	108.5	T304 F571 P632 A636	T304-H634 PolarHBondContact OG1-NE2 3.18Å; F571-H634 HydrophobicContact CE2-CB 4.03Å; F571-H634 HydrophobicContact CZ-CB 3.79Å; F571-H634 AromaticContact CZ-CG 3.94Å; P632-H634 VanDerWaalsContact C-N 3.29Å; H634-A636 VanDerWaalsContact C-N 3.32Å; H634-A636 PolarHBondContact O-N 3.15Å
635	K	55	Low	64.5	Low	95 Å²	95	96.9 Å²	96.9	41%	0.413	47%	0.474	S	S	.	.			trans	-62	110.9	148.7	-77.3	-167.9	-179.3	-167.1	0	103.8	N637	K635-N637 PolarHBondContact O-N 2.98Å
636	A	45.8	Very low	63.2	Low	31 Å²	31	99.1 Å²	99.1	26%	0.256	48%	0.478	S	S	.	.			trans	-67.9	59.6	174.2	0	0	0	0	0	109.1	R591 H634 S638	R591-A636 PolarHBondContact NH1-O 3.41Å; R591-A636 PolarHBondContact NH2-O 3.02Å; H634-A636 VanDerWaalsContact C-N 3.32Å; H634-A636 PolarHBondContact O-N 3.15Å; A636-S638 VanDerWaalsContact C-N 3.32Å; A636-S638 PolarHBondContact O-N 3Å
637	N	38	Very low	62	Low	97 Å²	97	90.7 Å²	90.7	52%	0.519	45%	0.445	S	S	.	.			trans	-4.6	83.8	-165.8	-78.2	-13.8	0	0	0	111.2	R591 K635 Y639	R591-N637 PolarHBondContact NH2-O 2.86Å; K635-N637 PolarHBondContact O-N 2.98Å; N637-Y639 PolarHBondContact O-N 3.23Å
638	S	31.6	Very low	60.6	Low	87 Å²	87	85.6 Å²	85.6	61%	0.608	42%	0.415	S	S	*	.			trans	-59.5	113.1	154.1	32.6	0	0	0	0	104.4	A636 K640	A636-S638 VanDerWaalsContact C-N 3.32Å; A636-S638 PolarHBondContact O-N 3Å; S638-K640 PolarHBondContact O-N 3.45Å
639	Y	26.7	Very low	58.5	Low	221 Å²	221	89.2 Å²	89.2	87%	0.867	43%	0.434	S	S	*	.			trans	-54.6	138.4	168.5	-148.5	-93.5	0	0	0	106.7	N637	N637-Y639 PolarHBondContact O-N 3.23Å
640	K	26.6	Very low	56.3	Low	232 Å²	232	86.5 Å²	86.5	100%	1.009	42%	0.415	S	S	*	.			trans	-88.4	0	177.3	-144.2	-167.4	-175.1	-132.4	0	109.3	S638	S638-K640 PolarHBondContact O-N 3.45Å

Retrieved 640 of 640 residues in 212.8 ms (Link to these results)

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