G4VIZ3_SCHMA Loading...

RBR-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession G4VIZ3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 599 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.1	Very low	34.4	Very low	235 Å²	235	158.6 Å²	158.6	100%	1.158	79%	0.788	S	S	*	*				0	106	0	-73.2	-177.5	-132.8	0	0	104.7
2	E	37.1	Very low	34.7	Very low	163 Å²	163	154.5 Å²	154.5	76%	0.762	79%	0.786	S	S	*	*			cis	-143.9	143.5	18.2	-81.7	152.2	162.6	0	0	108.3	E4	E2-E4 PolarHBondContact O-N 3.18Å
3	E	32.2	Very low	34.3	Very low	199 Å²	199	153.2 Å²	153.2	93%	0.93	78%	0.782	S	S	*	*			trans	-72.1	112.8	159.6	-70.1	170.3	161.2	0	0	106.5
4	E	37	Very low	34.3	Very low	157 Å²	157	154.5 Å²	154.5	73%	0.734	78%	0.784	S	S	*	*			trans	-133.9	109	163.7	-76.2	-166.3	159.7	0	0	109.4	E2	E2-E4 PolarHBondContact O-N 3.18Å
5	N	32.3	Very low	34.3	Very low	145 Å²	145	151.8 Å²	151.8	78%	0.775	79%	0.785	S	S	*	*			trans	44.2	108.5	138	-62.2	-27.8	0	0	0	118.4
6	N	33.9	Very low	34.1	Very low	134 Å²	134	149 Å²	149	72%	0.717	77%	0.771	S	S	*	*			trans	-147.2	79.6	133.7	-131.4	-3.5	0	0	0	109.2	Q8	N6-Q8 HydrophobicContact CB-CG 4.49Å; N6-Q8 PolarHBondContact O-N 2.87Å
7	D	34.2	Very low	33.9	Very low	160 Å²	160	148.7 Å²	148.7	86%	0.856	77%	0.771	S	S	*	*			trans	-63.5	88.5	155.6	-92.9	-26.4	0	0	0	106.6	S9	D7-S9 VanDerWaalsContact C-N 3.32Å; D7-S9 PolarHBondContact O-N 2.77Å; D7-S9 VanDerWaalsContact O-N 3.1Å
8	Q	33.4	Very low	34.1	Very low	128 Å²	128	149.9 Å²	149.9	60%	0.598	77%	0.765	S	S	*	*			trans	-75.3	94	166.2	-72	-177.7	-7.1	0	0	106.7	N6 Y10	N6-Q8 HydrophobicContact CB-CG 4.49Å; N6-Q8 PolarHBondContact O-N 2.87Å; Q8-Y10 PolarHBondContact O-N 2.97Å
9	S	32.7	Very low	33.9	Very low	95 Å²	95	148.3 Å²	148.3	66%	0.664	76%	0.759	S	S	*	*			trans	-53.9	110.1	156.4	50.9	0	0	0	0	107.2	D7 D11	D7-S9 VanDerWaalsContact C-N 3.32Å; D7-S9 PolarHBondContact O-N 2.77Å; D7-S9 VanDerWaalsContact O-N 3.1Å; S9-D11 VanDerWaalsContact C-N 3.31Å; S9-D11 PolarHBondContact O-N 2.84Å
10	Y	37.4	Very low	34.3	Very low	196 Å²	196	150.5 Å²	150.5	77%	0.769	76%	0.758	S	S	*	*			trans	-67.9	97	167.8	-73.2	-85.5	0	0	0	107.1	Q8 S12	Q8-Y10 PolarHBondContact O-N 2.97Å; Y10-S12 PolarHBondContact O-N 2.88Å
11	D	29.6	Very low	34.2	Very low	133 Å²	133	150.4 Å²	150.4	71%	0.711	76%	0.757	S	S	*	*			trans	-64.7	88.5	159.2	-73.7	-34.3	0	0	0	106.7	S9 D13	S9-D11 VanDerWaalsContact C-N 3.31Å; S9-D11 PolarHBondContact O-N 2.84Å; D11-D13 PolarHBondContact O-N 3.22Å; D11-D13 VanDerWaalsContact O-N 3.11Å
12	S	37.8	Very low	34.6	Very low	109 Å²	109	144.1 Å²	144.1	76%	0.762	73%	0.725	S	S	*	*			trans	-80.7	70.1	162.5	-63.2	0	0	0	0	108.1	Y10 E14	Y10-S12 PolarHBondContact O-N 2.88Å; S12-E14 VanDerWaalsContact C-N 3.34Å; S12-E14 PolarHBondContact O-N 3.35Å; S12-E14 VanDerWaalsContact O-N 3.16Å
13	D	29.5	Very low	34.3	Very low	137 Å²	137	139.5 Å²	139.5	73%	0.733	71%	0.709	S	S	*	*			trans	-68.7	94.3	157.1	-77.8	-29.1	0	0	0	107.4	D11	D11-D13 PolarHBondContact O-N 3.22Å; D11-D13 VanDerWaalsContact O-N 3.11Å
14	E	33.8	Very low	34.5	Very low	172 Å²	172	137.4 Å²	137.4	80%	0.804	70%	0.7	S	S	*	*			trans	171.6	70.8	153.4	-96.5	164.7	-165.8	0	0	106.9	S12 D16	S12-E14 VanDerWaalsContact C-N 3.34Å; S12-E14 PolarHBondContact O-N 3.35Å; S12-E14 VanDerWaalsContact O-N 3.16Å; E14-D16 PolarHBondContact O-N 3.33Å
15	S	34.7	Very low	34.8	Very low	114 Å²	114	133.2 Å²	133.2	80%	0.797	68%	0.677	S	S	*	*			trans	-71	86.9	156.8	61.6	0	0	0	0	106.6	D17	S15-D17 PolarHBondContact O-N 2.92Å
16	D	30.7	Very low	34.7	Very low	107 Å²	107	133.9 Å²	133.9	57%	0.572	68%	0.681	S	S	*	*			trans	-57.5	98.4	157.7	-82	-26.9	0	0	0	106.1	E14 Y18	E14-D16 PolarHBondContact O-N 3.33Å; D16-Y18 HydrophobicContact CB-CD2 4.35Å; D16-Y18 HydrophobicContact CB-CE2 3.99Å; D16-Y18 VanDerWaalsContact O-CD2 3.29Å; D16-Y18 WeakPolarHBondContact O-CD2 3.25Å; D16-Y18 PolarHBondContact O-N 3.44Å
17	D	31.3	Very low	34.9	Very low	144 Å²	144	130.3 Å²	130.3	77%	0.77	66%	0.664	S	S	*	*			trans	-63.6	82.5	172.2	-168.1	10.6	0	0	0	106.3	S15 N19	S15-D17 PolarHBondContact O-N 2.92Å; D17-N19 PolarHBondContact O-N 2.85Å
18	Y	38.1	Very low	34.7	Very low	170 Å²	170	131.7 Å²	131.7	67%	0.667	67%	0.665	S	S	*	*			trans	-64.4	81.5	166.9	-69.6	-74	0	0	0	106.5	D16 Y20	D16-Y18 HydrophobicContact CB-CD2 4.35Å; D16-Y18 HydrophobicContact CB-CE2 3.99Å; D16-Y18 VanDerWaalsContact O-CD2 3.29Å; D16-Y18 WeakPolarHBondContact O-CD2 3.25Å; D16-Y18 PolarHBondContact O-N 3.44Å; Y18-Y20 PolarHBondContact O-N 3.01Å
19	N	30.2	Very low	34.6	Very low	119 Å²	119	128.9 Å²	128.9	64%	0.636	67%	0.671	S	S	*	*			trans	-52.8	108.8	164.5	-151.9	-6.2	0	0	0	105.1	D17 M21	D17-N19 PolarHBondContact O-N 2.85Å; N19-M21 PolarHBondContact O-N 3.37Å
20	Y	42	Very low	34.6	Very low	192 Å²	192	128.8 Å²	128.8	75%	0.753	66%	0.66	S	S	*	*			trans	-62.2	76.8	176.8	-76.6	-93.2	0	0	0	108.2	Y18 E22	Y18-Y20 PolarHBondContact O-N 3.01Å; Y20-E22 PolarHBondContact O-N 3.43Å
21	M	31.4	Very low	34.5	Very low	149 Å²	149	131.5 Å²	131.5	73%	0.734	67%	0.668	S	S	*	*			trans	-73.5	98.6	170.8	-66.4	-69	-78.8	0	0	105.6	N19	N19-M21 PolarHBondContact O-N 3.37Å
22	E	46.9	Very low	35.1	Very low	103 Å²	103	129 Å²	129	48%	0.481	65%	0.652	S	S	.	*	P	Polyproline II helix	trans	-54.5	139.8	170.6	-77.1	-172	159.6	0	0	109.3	Y20 E24	Y20-E22 PolarHBondContact O-N 3.43Å; E22-E24 PolarHBondContact O-N 3.03Å
23	P	32.1	Very low	35.5	Very low	67 Å²	67	127.3 Å²	127.3	44%	0.435	64%	0.639	S	S	.	*	P	Polyproline II helix	trans	-57.4	130.3	177.7	-21.2	31.3	0	0	0	111.2	Y25	P23-Y25 PolarHBondContact O-N 3.1Å
24	E	34.9	Very low	36.2	Very low	155 Å²	155	126.4 Å²	126.4	72%	0.724	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-66.4	120.1	171.5	-65.6	-177.7	170.2	0	0	109.3	E22 D26	E22-E24 PolarHBondContact O-N 3.03Å; E24-D26 PolarHBondContact O-N 2.83Å
25	Y	43.7	Very low	37.2	Very low	68 Å²	68	122 Å²	122	27%	0.267	63%	0.626	S	S	.	*			trans	-81.2	109.2	-176.5	-62.1	-80	0	0	0	111.7	P23 V27	P23-Y25 PolarHBondContact O-N 3.1Å; Y25-V27 PolarHBondContact O-N 3.29Å
26	D	31	Very low	38.3	Very low	160 Å²	160	126.3 Å²	126.3	86%	0.856	62%	0.624	S	S	*	*			trans	-90.1	87.7	158.3	-91.5	-26.8	0	0	0	108.9	E24 E28	E24-D26 PolarHBondContact O-N 2.83Å; D26-E28 PolarHBondContact O-N 3.17Å
27	V	37.4	Very low	39.8	Very low	58 Å²	58	128.5 Å²	128.5	35%	0.352	64%	0.635	S	S	.	*			trans	-93.6	93.7	168.7	-176.3	0	0	0	0	108.3	Y25 G29	Y25-V27 PolarHBondContact O-N 3.29Å; V27-G29 PolarHBondContact O-N 2.95Å
28	E	30.5	Very low	42	Very low	190 Å²	190	122.7 Å²	122.7	89%	0.888	60%	0.603	S	S	*	*			trans	-63.4	98.2	162.6	-73.1	-168.4	167.2	0	0	109.5	D26	D26-E28 PolarHBondContact O-N 3.17Å
29	G	32.1	Very low	43.9	Very low	69 Å²	69	116.4 Å²	116.4	71%	0.711	58%	0.583	S	S	*	*			trans	60.8	73.4	143.1	0	0	0	0	0	118.6	V27	V27-G29 PolarHBondContact O-N 2.95Å
30	E	31.9	Very low	46.5	Very low	93 Å²	93	111.1 Å²	111.1	44%	0.435	56%	0.555	S	S	.	*			trans	-131.7	126.5	142.4	-73.4	-167.6	-178.3	0	0	109.6	F32	E30-F32 PolarHBondContact O-N 3.04Å
31	R	34.9	Very low	48.5	Very low	252 Å²	252	104 Å²	104	95%	0.951	53%	0.533	S	S	*	.			trans	-64.5	103.2	176.3	-69.6	177.1	179	-177.7	-1.1	107.7
32	F	42.1	Very low	51.2	Low	81 Å²	81	97.6 Å²	97.6	36%	0.355	50%	0.501	S	S	.	.			trans	-55	147.3	172.3	-145.6	-91.7	0	0	0	110	E30 S34	E30-F32 PolarHBondContact O-N 3.04Å; F32-S34 PolarHBondContact O-N 2.95Å
33	C	46.2	Very low	53.4	Low	74 Å²	74	96.5 Å²	96.5	50%	0.5	50%	0.498	S	S	.	.			trans	-39	106	-169	-154	0	0	0	0	112.8	D35	C33-D35 PolarHBondContact O-N 3.09Å; C33-D35 VanDerWaalsContact O-N 3.08Å; C33-D35 VanDerWaalsContact SG-CB 3.58Å
34	S	43.5	Very low	56.4	Low	118 Å²	118	96.2 Å²	96.2	83%	0.825	49%	0.489	S	S	*	.			trans	-73.2	8.2	174.5	69.8	0	0	0	0	112.9	F32 R36	F32-S34 PolarHBondContact O-N 2.95Å; S34-R36 PolarHBondContact O-N 3.09Å; S34-R36 VanDerWaalsContact O-N 3.16Å
35	D	55.5	Low	59.3	Low	80 Å²	80	93.3 Å²	93.3	43%	0.428	47%	0.474	S	S	.	.			trans	-70.7	110.1	178.9	-165.7	-8.3	0	0	0	109.8	C33 L37 H38	C33-D35 PolarHBondContact O-N 3.09Å; C33-D35 VanDerWaalsContact O-N 3.08Å; C33-D35 VanDerWaalsContact SG-CB 3.58Å; D35-L37 PolarHBondContact O-N 3.13Å; D35-L37 WeakPolarHBondContact OD1-CB 3.06Å; D35-L37 PolarHBondContact OD1-N 2.86Å; D35-H38 VanDerWaalsContact O-CB 3.27Å; D35-H38 WeakPolarHBondContact O-CB 3.4Å; D35-H38 PolarHBondContact O-N 3.49Å
36	R	58.2	Low	61.8	Low	204 Å²	204	91.1 Å²	91.1	77%	0.77	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-12.5	174.9	-64.2	-176.8	178.9	-174.9	-1.2	112.8	S34 S41	S34-R36 PolarHBondContact O-N 3.09Å; S34-R36 VanDerWaalsContact O-N 3.16Å; R36-S41 PolarHBondContact O-OG 3.08Å
37	L	62.3	Low	64.9	Low	153 Å²	153	85.5 Å²	85.5	80%	0.801	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-8.2	176.3	-61.7	170.5	0	0	0	113.1	D35	D35-L37 PolarHBondContact O-N 3.13Å; D35-L37 WeakPolarHBondContact OD1-CB 3.06Å; D35-L37 PolarHBondContact OD1-N 2.86Å
38	H	76.7	Confident	67.7	Low	21 Å²	21	87.6 Å²	87.6	10%	0.097	44%	0.442	C	S	.	.	S	Bend	trans	-66.2	133.1	179.1	-170.2	-91.6	0	0	0	110.3	D35 E40 S41 R589 L590	D35-H38 VanDerWaalsContact O-CB 3.27Å; D35-H38 WeakPolarHBondContact O-CB 3.4Å; D35-H38 PolarHBondContact O-N 3.49Å; H38-E40 VanDerWaalsContact CE1-CG 3.45Å; H38-E40 WeakPolarHBondContact CE1-CG 3.46Å; H38-E40 IonicContact CE1-OE2 2.73Å; H38-E40 PolarHBondContact CE1-OE2 3.33Å; H38-E40 VanDerWaalsContact CE1-OE2 3.26Å; H38-E40 WeakPolarHBondContact ND1-CB 3.15Å; H38-E40 PolarHBondContact ND1-N 3.26Å; H38-E40 PolarHBondContact O-N 3.07Å; H38-E40 VanDerWaalsContact O-N 3.13Å; H38-S41 WeakPolarHBondContact O-CB 3.23Å; H38-S41 PolarHBondContact O-N 3.4Å; H38-S41 PolarHBondContact O-OG 2.84Å; H38-R589 PolarHBondContact NE2-NH2 3.45Å; H38-L590 VanDerWaalsContact NE2-CD2 3.33Å; H38-L590 WeakPolarHBondContact NE2-CD2 3.42Å
39	P	77.7	Confident	70.8	Confident	39 Å²	39	82.5 Å²	82.5	25%	0.253	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-27.4	-174.2	22.2	-32.9	0	0	0	113.3	R351 L590 L593 L597	P39-R351 PolarHBondContact O-NE 3.08Å; P39-L590 HydrophobicContact CG-CD2 4.1Å; P39-L593 HydrophobicContact CB-CB 4.49Å; P39-L593 HydrophobicContact CG-CB 4.16Å; P39-L597 HydrophobicContact CB-CD2 4.28Å; P39-L597 VanDerWaalsContact O-CD2 3.27Å; P39-L597 WeakPolarHBondContact O-CD2 3.07Å
40	E	85.4	Confident	73.9	Confident	7 Å²	7	84.2 Å²	84.2	3%	0.033	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-2.9	178	-44.8	-170.1	108.6	0	0	113.2	H38 Y370 R589 L593	H38-E40 VanDerWaalsContact CE1-CG 3.45Å; H38-E40 WeakPolarHBondContact CE1-CG 3.46Å; H38-E40 IonicContact CE1-OE2 2.73Å; H38-E40 PolarHBondContact CE1-OE2 3.33Å; H38-E40 VanDerWaalsContact CE1-OE2 3.26Å; H38-E40 WeakPolarHBondContact ND1-CB 3.15Å; H38-E40 PolarHBondContact ND1-N 3.26Å; H38-E40 PolarHBondContact O-N 3.07Å; H38-E40 VanDerWaalsContact O-N 3.13Å; E40-Y370 WeakPolarHBondContact CB-OH 3.49Å; E40-Y370 VanDerWaalsContact CD-OH 3.27Å; E40-Y370 VanDerWaalsContact CG-OH 3.25Å; E40-Y370 WeakPolarHBondContact CG-OH 3.47Å; E40-Y370 WeakPolarHBondContact OE1-CE1 3.33Å; E40-Y370 VanDerWaalsContact OE1-CZ 3.29Å; E40-Y370 PolarHBondContact OE1-OH 2.91Å; E40-R589 IonicContact OE1-NH1 3.44Å; E40-R589 IonicContact OE2-CZ 2.78Å; E40-R589 IonicContact OE2-NH1 3.78Å; E40-R589 PolarHBondContact OE2-NH1 3.34Å; E40-R589 IonicContact OE2-NH2 2.73Å; E40-R589 PolarHBondContact OE2-NH2 3.34Å; E40-L593 VanDerWaalsContact CD-CD1 3.44Å; E40-L593 HydrophobicContact CG-CD1 3.77Å; E40-L593 WeakPolarHBondContact OE1-CD1 3.4Å
41	S	84.6	Confident	77	Confident	43 Å²	43	83.9 Å²	83.9	30%	0.301	41%	0.406	S	S	.	.			trans	-64.9	145.9	178.7	67.8	0	0	0	0	111.2	R36 H38	R36-S41 PolarHBondContact O-OG 3.08Å; H38-S41 WeakPolarHBondContact O-CB 3.23Å; H38-S41 PolarHBondContact O-N 3.4Å; H38-S41 PolarHBondContact O-OG 2.84Å
42	F	88.5	Confident	79.9	Confident	15 Å²	15	72 Å²	72	7%	0.066	36%	0.362	C	S	.	.			trans	-153.2	129.4	179.3	179.7	-124.5	0	0	0	109.4	Y44 A344 E346 R351 V353 F364	F42-Y44 AromaticContact CD1-CD1 3.72Å; F42-Y44 HydrophobicContact CD1-CD1 3.72Å; F42-Y44 HydrophobicContact CD1-CG 4.33Å; F42-Y44 HydrophobicContact CE1-CD1 4.39Å; F42-Y44 HydrophobicContact CG-CD1 4.49Å; F42-Y44 VanDerWaalsContact O-CD1 3.31Å; F42-Y44 WeakPolarHBondContact O-CD1 3.24Å; F42-Y44 PolarHBondContact O-N 2.81Å; F42-A344 HydrophobicContact CE1-CB 4.32Å; F42-A344 HydrophobicContact CE2-CB 4.22Å; F42-A344 HydrophobicContact CZ-CB 3.51Å; F42-E346 WeakPolarHBondContact CA-OE1 3.21Å; F42-E346 HydrophobicContact CD2-CG 4.03Å; F42-E346 VanDerWaalsContact CD2-OE1 3.26Å; F42-E346 WeakPolarHBondContact CD2-OE1 3.31Å; F42-E346 HydrophobicContact CE2-CG 3.94Å; F42-R351 HydrophobicContact CB-CB 3.42Å; F42-R351 VanDerWaalsContact CB-CB 3.42Å; F42-R351 HydrophobicContact CB-CG 3.97Å; F42-R351 HydrophobicContact CD1-CB 4.3Å; F42-R351 HydrophobicContact CD2-CB 4.2Å; F42-R351 HydrophobicContact CD2-CG 4.33Å; F42-R351 HydrophobicContact CG-CB 3.75Å; F42-R351 HydrophobicContact CG-CG 4.31Å; F42-V353 HydrophobicContact CD1-CG2 3.83Å; F42-V353 HydrophobicContact CE1-CG2 4.04Å; F42-F364 HydrophobicContact CD1-CB 4.29Å; F42-F364 HydrophobicContact CD1-CG 4.46Å; F42-F364 HydrophobicContact CE1-CB 3.68Å; F42-F364 AromaticContact CE1-CD1 3.96Å; F42-F364 HydrophobicContact CE1-CD1 3.96Å; F42-F364 AromaticContact CE1-CD2 3.57Å; F42-F364 HydrophobicContact CE1-CD2 3.57Å; F42-F364 HydrophobicContact CE1-CE2 4.2Å; F42-F364 AromaticContact CE1-CG 3.42Å; F42-F364 HydrophobicContact CE1-CG 3.42Å; F42-F364 VanDerWaalsContact CE1-CG 3.42Å; F42-F364 HydrophobicContact CZ-CB 4.2Å; F42-F364 AromaticContact CZ-CD1 3.7Å; F42-F364 HydrophobicContact CZ-CD1 3.7Å; F42-F364 HydrophobicContact CZ-CD2 4.07Å; F42-F364 HydrophobicContact CZ-CE1 4.1Å; F42-F364 HydrophobicContact CZ-CE2 4.41Å; F42-F364 AromaticContact CZ-CG 3.69Å; F42-F364 HydrophobicContact CZ-CG 3.69Å; F42-F364 HydrophobicContact CZ-CZ 4.43Å
43	L	92.5	Very high	82.5	Confident	79 Å²	79	68.7 Å²	68.7	41%	0.414	35%	0.348	S	S	.	.			trans	-85.2	111	179.1	-61.2	-180	0	0	0	110	L345 E346	L43-L345 HydrophobicContact CB-CB 4.12Å; L43-L345 PolarHBondContact O-N 2.92Å; L43-E346 HydrophobicContact CB-CB 4.45Å; L43-E346 HydrophobicContact CB-CG 4Å; L43-E346 PolarHBondContact N-OE1 3.36Å
44	Y	95	Very high	85	Confident	61 Å²	61	70.9 Å²	70.9	24%	0.239	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	168	175.2	66.4	-89.5	0	0	0	111.3	F42 I342 C343 V353 Q354	F42-Y44 AromaticContact CD1-CD1 3.72Å; F42-Y44 HydrophobicContact CD1-CD1 3.72Å; F42-Y44 HydrophobicContact CD1-CG 4.33Å; F42-Y44 HydrophobicContact CE1-CD1 4.39Å; F42-Y44 HydrophobicContact CG-CD1 4.49Å; F42-Y44 VanDerWaalsContact O-CD1 3.31Å; F42-Y44 WeakPolarHBondContact O-CD1 3.24Å; F42-Y44 PolarHBondContact O-N 2.81Å; Y44-I342 HydrophobicContact CD2-CD1 4.46Å; Y44-I342 HydrophobicContact CD2-CG2 3.74Å; Y44-I342 HydrophobicContact CG-CG2 4Å; Y44-C343 CarbonylContact C-O 3.58Å; Y44-C343 WeakPolarHBondContact CA-O 3.16Å; Y44-C343 WeakPolarHBondContact CB-O 3.44Å; Y44-V353 HydrophobicContact CD1-CG2 3.96Å; Y44-V353 HydrophobicContact CD2-CG1 4.18Å; Y44-V353 HydrophobicContact CE1-CB 4.35Å; Y44-V353 HydrophobicContact CE1-CG1 4.35Å; Y44-V353 HydrophobicContact CE1-CG2 4.11Å; Y44-V353 HydrophobicContact CE2-CG1 3.86Å; Y44-V353 HydrophobicContact CG-CG2 4.26Å; Y44-Q354 PolarHBondContact OH-N 3.1Å; Y44-Q354 PolarHBondContact OH-O 2.75Å
45	K	95.6	Very high	87.5	Confident	95 Å²	95	69.5 Å²	69.5	41%	0.413	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	141	172.5	-179.7	172.9	174.4	-160.6	0	110.6	F47 C343 L345	K45-F47 HydrophobicContact CB-CD2 4.35Å; K45-F47 HydrophobicContact CB-CE2 3.81Å; K45-F47 HydrophobicContact CB-CZ 4.38Å; K45-F47 HydrophobicContact CD-CE1 4.08Å; K45-F47 HydrophobicContact CD-CE2 3.88Å; K45-F47 HydrophobicContact CD-CZ 3.58Å; K45-F47 HydrophobicContact CG-CD2 4.22Å; K45-F47 HydrophobicContact CG-CE2 3.8Å; K45-F47 HydrophobicContact CG-CZ 4.03Å; K45-C343 PolarHBondContact N-O 3.46Å; K45-C343 PolarHBondContact O-N 2.97Å; K45-L345 HydrophobicContact CB-CD1 4.1Å; K45-L345 HydrophobicContact CB-CD2 4.16Å; K45-L345 HydrophobicContact CB-CG 4.24Å
46	S	96.4	Very high	89.5	Confident	21 Å²	21	65.7 Å²	65.7	15%	0.147	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	133.8	170.9	-58.1	0	0	0	0	110.2	L341	S46-L341 CarbonylContact C-O 3.58Å; S46-L341 WeakPolarHBondContact CA-O 3.33Å
47	F	96.5	Very high	91.4	Very high	42 Å²	42	56.9 Å²	56.9	18%	0.184	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	151	178.2	-74.9	-80	0	0	0	110.9	K45 E51 V52 L341 C343	K45-F47 HydrophobicContact CB-CD2 4.35Å; K45-F47 HydrophobicContact CB-CE2 3.81Å; K45-F47 HydrophobicContact CB-CZ 4.38Å; K45-F47 HydrophobicContact CD-CE1 4.08Å; K45-F47 HydrophobicContact CD-CE2 3.88Å; K45-F47 HydrophobicContact CD-CZ 3.58Å; K45-F47 HydrophobicContact CG-CD2 4.22Å; K45-F47 HydrophobicContact CG-CE2 3.8Å; K45-F47 HydrophobicContact CG-CZ 4.03Å; F47-E51 HydrophobicContact CB-CB 4.35Å; F47-E51 HydrophobicContact CD1-CB 3.76Å; F47-E51 HydrophobicContact CD1-CG 4.36Å; F47-E51 HydrophobicContact CG-CB 4.5Å; F47-V52 HydrophobicContact CB-CG2 3.77Å; F47-L341 PolarHBondContact N-O 2.82Å; F47-L341 PolarHBondContact O-N 2.68Å; F47-C343 HydrophobicContact CD2-CB 3.45Å; F47-C343 VanDerWaalsContact CD2-CB 3.45Å; F47-C343 HydrophobicContact CE2-CB 3.48Å; F47-C343 VanDerWaalsContact CE2-CB 3.48Å
48	E	96	Very high	93.1	Very high	102 Å²	102	52.8 Å²	52.8	48%	0.477	26%	0.264	S	S	.	.			trans	-81.7	160	166.4	-59.5	-163.9	150.1	0	0	111.1	N50 E51 V52 R357	E48-N50 VanDerWaalsContact C-N 3.31Å; E48-N50 PolarHBondContact O-N 3.41Å; E48-E51 PolarHBondContact N-OE2 3Å; E48-E51 PolarHBondContact O-N 2.7Å; E48-E51 VanDerWaalsContact O-N 3.11Å; E48-V52 PolarHBondContact O-N 3.42Å; E48-R357 IonicContact OE1-NH2 3.78Å; E48-R357 PolarHBondContact OE1-NH2 2.65Å
49	R	95.6	Very high	94.1	Very high	83 Å²	83	53 Å²	53	31%	0.313	27%	0.267	S	S	.	.	H	α-helix	trans	-48.9	-50.2	179.7	177.2	172.1	179	167.2	0.6	112.9	E51 V52 E53 N317 F320 L341	R49-E51 VanDerWaalsContact C-N 3.28Å; R49-E51 PolarHBondContact O-N 3.39Å; R49-V52 PolarHBondContact O-N 2.98Å; R49-V52 VanDerWaalsContact O-N 3.13Å; R49-E53 HydrophobicContact CG-CG 4.23Å; R49-E53 IonicContact CZ-OE1 3.93Å; R49-E53 IonicContact NE-OE1 3.35Å; R49-E53 PolarHBondContact NE-OE1 3.44Å; R49-E53 IonicContact NH2-OE1 2.87Å; R49-E53 PolarHBondContact NH2-OE1 3.46Å; R49-E53 WeakPolarHBondContact O-CG 3.24Å; R49-E53 PolarHBondContact O-N 2.59Å; R49-N317 VanDerWaalsContact CZ-OD1 3.27Å; R49-N317 PolarHBondContact NH1-OD1 3.03Å; R49-N317 PolarHBondContact NH2-OD1 2.66Å; R49-F320 HydrophobicContact CG-CE1 3.93Å; R49-F320 HydrophobicContact CG-CE2 4.38Å; R49-F320 HydrophobicContact CG-CZ 3.82Å; R49-L341 HydrophobicContact CB-CD1 4.4Å
50	N	96.2	Very high	95.1	Very high	105 Å²	105	51.2 Å²	51.2	56%	0.561	26%	0.256	S	S	*	.	H	α-helix	trans	-62.3	-35.4	-176.5	-62.6	3.3	0	0	0	112.3	E48 E53 I54	E48-N50 VanDerWaalsContact C-N 3.31Å; E48-N50 PolarHBondContact O-N 3.41Å; N50-E53 PolarHBondContact O-N 3.4Å; N50-I54 VanDerWaalsContact O-CG1 3.29Å; N50-I54 WeakPolarHBondContact O-CG1 3.46Å; N50-I54 PolarHBondContact O-N 3.09Å
51	E	96.8	Very high	95.7	Very high	86 Å²	86	54.4 Å²	54.4	40%	0.402	27%	0.273	S	S	.	.	H	α-helix	trans	-67.1	-40.6	177.6	-61.8	178.4	101.3	0	0	111	F47 E48 R49 F55	F47-E51 HydrophobicContact CB-CB 4.35Å; F47-E51 HydrophobicContact CD1-CB 3.76Å; F47-E51 HydrophobicContact CD1-CG 4.36Å; F47-E51 HydrophobicContact CG-CB 4.5Å; E48-E51 PolarHBondContact N-OE2 3Å; E48-E51 PolarHBondContact O-N 2.7Å; E48-E51 VanDerWaalsContact O-N 3.11Å; R49-E51 VanDerWaalsContact C-N 3.28Å; R49-E51 PolarHBondContact O-N 3.39Å; E51-F55 PolarHBondContact O-N 3.24Å; E51-F55 VanDerWaalsContact O-N 3.12Å
52	V	97.6	Very high	96.4	Very high	3 Å²	3	55.5 Å²	55.5	2%	0.018	28%	0.278	C	S	.	.	H	α-helix	trans	-67.9	-41	175.5	177.9	0	0	0	0	111.2	F47 E48 R49 I54 F55 L56 F320 V324 L330 L341	F47-V52 HydrophobicContact CB-CG2 3.77Å; E48-V52 PolarHBondContact O-N 3.42Å; R49-V52 PolarHBondContact O-N 2.98Å; R49-V52 VanDerWaalsContact O-N 3.13Å; V52-I54 PolarHBondContact O-N 3.36Å; V52-F55 WeakPolarHBondContact O-CB 3.49Å; V52-F55 PolarHBondContact O-N 2.98Å; V52-L56 HydrophobicContact CG1-CD1 3.78Å; V52-L56 HydrophobicContact CG1-CG 4.04Å; V52-L56 VanDerWaalsContact O-CG 3.27Å; V52-L56 WeakPolarHBondContact O-CG 3.24Å; V52-L56 PolarHBondContact O-N 2.99Å; V52-F320 HydrophobicContact CB-CE2 4.43Å; V52-F320 HydrophobicContact CB-CZ 4.36Å; V52-F320 HydrophobicContact CG1-CE2 4.1Å; V52-F320 HydrophobicContact CG1-CZ 4.2Å; V52-V324 HydrophobicContact CG1-CG2 4.22Å; V52-L330 HydrophobicContact CG1-CD1 3.65Å; V52-L330 HydrophobicContact CG1-CD2 4.29Å; V52-L330 HydrophobicContact CG2-CD2 4.4Å; V52-L341 HydrophobicContact CB-CD2 4.4Å; V52-L341 HydrophobicContact CG1-CD2 4.16Å; V52-L341 HydrophobicContact CG2-CB 3.86Å; V52-L341 HydrophobicContact CG2-CD1 4.2Å; V52-L341 HydrophobicContact CG2-CD2 4.12Å; V52-L341 HydrophobicContact CG2-CG 4.29Å
53	E	96.9	Very high	96.8	Very high	12 Å²	12	54.8 Å²	54.8	6%	0.056	28%	0.275	C	S	.	.	H	α-helix	trans	-57.9	-45.9	176.2	-77.2	-179.9	169.8	0	0	111.9	R49 N50 F55 L56 N57 W236 F320	R49-E53 HydrophobicContact CG-CG 4.23Å; R49-E53 IonicContact CZ-OE1 3.93Å; R49-E53 IonicContact NE-OE1 3.35Å; R49-E53 PolarHBondContact NE-OE1 3.44Å; R49-E53 IonicContact NH2-OE1 2.87Å; R49-E53 PolarHBondContact NH2-OE1 3.46Å; R49-E53 WeakPolarHBondContact O-CG 3.24Å; R49-E53 PolarHBondContact O-N 2.59Å; N50-E53 PolarHBondContact O-N 3.4Å; E53-F55 PolarHBondContact O-N 3.11Å; E53-L56 PolarHBondContact O-N 2.98Å; E53-N57 WeakPolarHBondContact O-CB 3.4Å; E53-N57 PolarHBondContact O-N 3.12Å; E53-W236 HydrophobicContact CB-CB 4.31Å; E53-W236 HydrophobicContact CB-CD2 3.99Å; E53-W236 HydrophobicContact CB-CE3 3.36Å; E53-W236 HydrophobicContact CB-CG 4.43Å; E53-W236 HydrophobicContact CB-CZ3 3.93Å; E53-W236 HydrophobicContact CG-CB 4.25Å; E53-W236 HydrophobicContact CG-CD2 3.61Å; E53-W236 HydrophobicContact CG-CE3 3.42Å; E53-W236 VanDerWaalsContact CG-CE3 3.42Å; E53-W236 HydrophobicContact CG-CG 4.02Å; E53-W236 HydrophobicContact CG-CZ3 3.92Å; E53-W236 WeakPolarHBondContact OE2-CB 3.16Å; E53-F320 HydrophobicContact CG-CD2 3.6Å; E53-F320 HydrophobicContact CG-CE2 3.39Å; E53-F320 HydrophobicContact CG-CZ 4.29Å
54	I	97.6	Very high	97.1	Very high	120 Å²	120	51.8 Å²	51.8	62%	0.615	26%	0.26	S	S	*	.	H	α-helix	trans	-60.4	-45.1	174.7	-68.4	165	0	0	0	111.1	N50 V52 N57 S58	N50-I54 VanDerWaalsContact O-CG1 3.29Å; N50-I54 WeakPolarHBondContact O-CG1 3.46Å; N50-I54 PolarHBondContact O-N 3.09Å; V52-I54 PolarHBondContact O-N 3.36Å; I54-N57 PolarHBondContact O-N 2.75Å; I54-S58 WeakPolarHBondContact O-CB 3.3Å; I54-S58 PolarHBondContact O-N 2.73Å
55	F	96.6	Very high	97.2	Very high	88 Å²	88	54.7 Å²	54.7	39%	0.386	28%	0.28	S	S	.	.	H	α-helix	trans	-61.8	-46.8	179.1	166.7	-106.2	0	0	0	112.5	E51 V52 E53 S58 T59 H327 L330	E51-F55 PolarHBondContact O-N 3.24Å; E51-F55 VanDerWaalsContact O-N 3.12Å; V52-F55 WeakPolarHBondContact O-CB 3.49Å; V52-F55 PolarHBondContact O-N 2.98Å; E53-F55 PolarHBondContact O-N 3.11Å; F55-S58 PolarHBondContact O-N 3.15Å; F55-T59 PolarHBondContact O-N 3.33Å; F55-T59 PolarHBondContact O-OG1 2.92Å; F55-T59 VanDerWaalsContact O-OG1 3.13Å; F55-H327 AromaticContact CE1-CE1 3.89Å; F55-H327 AromaticContact CE1-NE2 3.48Å; F55-H327 WeakPolarHBondContact CE1-NE2 3.11Å; F55-H327 AromaticContact CZ-NE2 3.76Å; F55-L330 HydrophobicContact CD1-CD1 4.37Å; F55-L330 HydrophobicContact CE1-CD1 4.3Å
56	L	97.9	Very high	97.2	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-64.1	-45.9	178.1	-66.6	173.3	0	0	0	110.9	V52 E53 S58 T59 V60 W83 W236 F320 M323 V324 L330	V52-L56 HydrophobicContact CG1-CD1 3.78Å; V52-L56 HydrophobicContact CG1-CG 4.04Å; V52-L56 VanDerWaalsContact O-CG 3.27Å; V52-L56 WeakPolarHBondContact O-CG 3.24Å; V52-L56 PolarHBondContact O-N 2.99Å; E53-L56 PolarHBondContact O-N 2.98Å; L56-S58 PolarHBondContact O-N 2.69Å; L56-T59 WeakPolarHBondContact O-CB 3.38Å; L56-T59 PolarHBondContact O-N 3.25Å; L56-T59 VanDerWaalsContact O-N 3.14Å; L56-V60 WeakPolarHBondContact O-CG2 3.36Å; L56-V60 PolarHBondContact O-N 3.28Å; L56-W83 HydrophobicContact CB-CH2 3.97Å; L56-W83 HydrophobicContact CB-CZ3 4.29Å; L56-W83 HydrophobicContact CD2-CE3 4.26Å; L56-W83 HydrophobicContact CD2-CH2 3.38Å; L56-W83 HydrophobicContact CD2-CZ2 3.72Å; L56-W83 HydrophobicContact CD2-CZ3 3.66Å; L56-W83 HydrophobicContact CG-CH2 4.18Å; L56-W236 HydrophobicContact CB-CH2 4.34Å; L56-W236 HydrophobicContact CB-CZ3 4.04Å; L56-W236 HydrophobicContact CD1-CH2 4.12Å; L56-W236 HydrophobicContact CD1-CZ3 4.37Å; L56-F320 HydrophobicContact CD1-CD2 4.4Å; L56-F320 HydrophobicContact CD1-CE2 4.12Å; L56-M323 HydrophobicContact CD1-CB 3.99Å; L56-V324 HydrophobicContact CD1-CG2 4.32Å; L56-L330 HydrophobicContact CD2-CD1 3.76Å; L56-L330 HydrophobicContact CG-CD1 4.31Å
57	N	97.1	Very high	97.2	Very high	19 Å²	19	53.3 Å²	53.3	10%	0.102	27%	0.274	C	S	.	.	H	α-helix	trans	-63	-39.7	178.3	-78.8	-16.3	0	0	0	112.2	E53 I54 T59 V60 D61 D234 W236	E53-N57 WeakPolarHBondContact O-CB 3.4Å; E53-N57 PolarHBondContact O-N 3.12Å; I54-N57 PolarHBondContact O-N 2.75Å; N57-T59 VanDerWaalsContact C-N 3.26Å; N57-T59 PolarHBondContact O-N 3.43Å; N57-V60 WeakPolarHBondContact O-CB 3.3Å; N57-V60 PolarHBondContact O-N 3.3Å; N57-V60 VanDerWaalsContact O-N 3.15Å; N57-D61 PolarHBondContact O-N 2.86Å; N57-D234 PolarHBondContact ND2-OD1 3.32Å; N57-D234 VanDerWaalsContact ND2-OD1 3.15Å; N57-W236 VanDerWaalsContact ND2-CE3 3.3Å; N57-W236 VanDerWaalsContact OD1-CZ3 3.3Å; N57-W236 WeakPolarHBondContact OD1-CZ3 3.22Å
58	S	98.1	Very high	97.1	Very high	67 Å²	67	54.7 Å²	54.7	47%	0.469	29%	0.29	S	S	.	.	H	α-helix	trans	-60.1	-37.1	174.6	-178	0	0	0	0	112.5	I54 F55 L56 T62	I54-S58 WeakPolarHBondContact O-CB 3.3Å; I54-S58 PolarHBondContact O-N 2.73Å; F55-S58 PolarHBondContact O-N 3.15Å; L56-S58 PolarHBondContact O-N 2.69Å; S58-T62 WeakPolarHBondContact O-CB 3.36Å; S58-T62 PolarHBondContact O-N 3.35Å; S58-T62 PolarHBondContact O-OG1 3.33Å
59	T	98.1	Very high	97	Very high	25 Å²	25	50.2 Å²	50.2	15%	0.153	27%	0.269	C	S	.	.	H	α-helix	trans	-70.2	-40.3	175.6	-55.1	0	0	0	0	111.5	F55 L56 N57 T62 L63 L78 W83 V85	F55-T59 PolarHBondContact O-N 3.33Å; F55-T59 PolarHBondContact O-OG1 2.92Å; F55-T59 VanDerWaalsContact O-OG1 3.13Å; L56-T59 WeakPolarHBondContact O-CB 3.38Å; L56-T59 PolarHBondContact O-N 3.25Å; L56-T59 VanDerWaalsContact O-N 3.14Å; N57-T59 VanDerWaalsContact C-N 3.26Å; N57-T59 PolarHBondContact O-N 3.43Å; T59-T62 WeakPolarHBondContact O-CB 2.87Å; T59-T62 PolarHBondContact O-N 2.99Å; T59-L63 PolarHBondContact O-N 2.89Å; T59-L78 HydrophobicContact CG2-CD1 4.39Å; T59-L78 HydrophobicContact CG2-CD2 4.22Å; T59-W83 HydrophobicContact CG2-CE3 3.85Å; T59-W83 HydrophobicContact CG2-CZ3 4.13Å; T59-V85 HydrophobicContact CG2-CG2 3.93Å
60	V	98.4	Very high	97.1	Very high	3 Å²	3	47.9 Å²	47.9	2%	0.018	27%	0.265	C	S	.	.	H	α-helix	trans	-58.4	-50.2	173	172.4	0	0	0	0	110.5	L56 N57 T62 L63 C64 P71 A74 R75 L78 W83	L56-V60 WeakPolarHBondContact O-CG2 3.36Å; L56-V60 PolarHBondContact O-N 3.28Å; N57-V60 WeakPolarHBondContact O-CB 3.3Å; N57-V60 PolarHBondContact O-N 3.3Å; N57-V60 VanDerWaalsContact O-N 3.15Å; V60-T62 VanDerWaalsContact C-N 3.29Å; V60-T62 PolarHBondContact O-N 3.34Å; V60-L63 PolarHBondContact O-N 3.47Å; V60-L63 VanDerWaalsContact O-N 3.14Å; V60-C64 PolarHBondContact O-N 2.83Å; V60-C64 PolarHBondContact O-SG 3.22Å; V60-P71 HydrophobicContact CG1-CB 4.07Å; V60-A74 HydrophobicContact CG1-CB 4.02Å; V60-R75 HydrophobicContact CB-CG 4.42Å; V60-R75 HydrophobicContact CG1-CG 3.93Å; V60-R75 HydrophobicContact CG2-CG 3.54Å; V60-L78 HydrophobicContact CB-CD1 4.3Å; V60-L78 HydrophobicContact CG2-CD1 3.71Å; V60-W83 HydrophobicContact CG2-CH2 4.47Å; V60-W83 HydrophobicContact CG2-CZ3 4.44Å
61	D	98.1	Very high	97.2	Very high	73 Å²	73	44.9 Å²	44.9	39%	0.39	25%	0.251	S	S	.	.	H	α-helix	trans	-60.9	-39.7	179.2	-71.5	-24.2	0	0	0	112	N57 L63 C64 N65	N57-D61 PolarHBondContact O-N 2.86Å; D61-L63 PolarHBondContact O-N 3.47Å; D61-C64 WeakPolarHBondContact O-CB 2.89Å; D61-C64 PolarHBondContact O-N 3.42Å; D61-N65 WeakPolarHBondContact O-CB 3.35Å; D61-N65 VanDerWaalsContact O-CG 3.3Å; D61-N65 PolarHBondContact O-N 3.46Å; D61-N65 PolarHBondContact O-ND2 3.27Å
62	T	98.4	Very high	97.1	Very high	67 Å²	67	41.2 Å²	41.2	41%	0.411	24%	0.236	S	C	.	.	H	α-helix	trans	-58.3	-48.8	174.6	-61	0	0	0	0	110.8	S58 T59 V60 N65 L66	S58-T62 WeakPolarHBondContact O-CB 3.36Å; S58-T62 PolarHBondContact O-N 3.35Å; S58-T62 PolarHBondContact O-OG1 3.33Å; T59-T62 WeakPolarHBondContact O-CB 2.87Å; T59-T62 PolarHBondContact O-N 2.99Å; V60-T62 VanDerWaalsContact C-N 3.29Å; V60-T62 PolarHBondContact O-N 3.34Å; T62-N65 PolarHBondContact O-N 3Å; T62-L66 HydrophobicContact CG2-CD1 3.99Å; T62-L66 VanDerWaalsContact O-CG 3.26Å; T62-L66 WeakPolarHBondContact O-CG 3.41Å; T62-L66 PolarHBondContact O-N 3.46Å; T62-L66 VanDerWaalsContact O-N 3.11Å
63	L	98.3	Very high	97.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-65.4	-44.4	177.5	-178.6	63.4	0	0	0	111.9	T59 V60 D61 N65 L66 I67 A74 L77 L78 V85 I88	T59-L63 PolarHBondContact O-N 2.89Å; V60-L63 PolarHBondContact O-N 3.47Å; V60-L63 VanDerWaalsContact O-N 3.14Å; D61-L63 PolarHBondContact O-N 3.47Å; L63-N65 VanDerWaalsContact C-N 3.25Å; L63-N65 PolarHBondContact O-N 2.83Å; L63-L66 PolarHBondContact O-N 3.11Å; L63-I67 HydrophobicContact CD1-CD1 3.93Å; L63-I67 HydrophobicContact CD1-CG1 3.93Å; L63-I67 HydrophobicContact CD1-CG2 4.41Å; L63-I67 HydrophobicContact CG-CD1 4.08Å; L63-I67 HydrophobicContact CG-CG1 4.13Å; L63-I67 VanDerWaalsContact O-CG1 3.26Å; L63-I67 WeakPolarHBondContact O-CG1 3.34Å; L63-I67 PolarHBondContact O-N 3.4Å; L63-A74 HydrophobicContact CB-CB 4.45Å; L63-A74 HydrophobicContact CD2-CB 4.05Å; L63-A74 HydrophobicContact CG-CB 4.31Å; L63-L77 HydrophobicContact CD2-CB 4.37Å; L63-L78 HydrophobicContact CB-CD1 4.45Å; L63-L78 HydrophobicContact CD2-CD1 4.09Å; L63-L78 HydrophobicContact CD2-CD2 3.96Å; L63-L78 HydrophobicContact CD2-CG 3.64Å; L63-V85 HydrophobicContact CD1-CG1 4.22Å; L63-I88 HydrophobicContact CD1-CB 4.35Å; L63-I88 HydrophobicContact CD1-CG2 3.95Å; L63-I88 HydrophobicContact CD2-CD1 4.1Å; L63-I88 HydrophobicContact CD2-CG2 4.04Å
64	C	98	Very high	97.2	Very high	15 Å²	15	40.5 Å²	40.5	10%	0.101	23%	0.232	C	C	.	.	H	α-helix	trans	-50.6	-47.4	175.9	-70.3	0	0	0	0	111.4	V60 D61 S68 V69 P71 A74	V60-C64 PolarHBondContact O-N 2.83Å; V60-C64 PolarHBondContact O-SG 3.22Å; D61-C64 WeakPolarHBondContact O-CB 2.89Å; D61-C64 PolarHBondContact O-N 3.42Å; C64-S68 WeakPolarHBondContact O-CA 3.24Å; C64-S68 PolarHBondContact O-N 2.78Å; C64-V69 WeakPolarHBondContact CB-O 3.35Å; C64-V69 PolarHBondContact O-N 3.41Å; C64-V69 PolarHBondContact SG-O 2.97Å; C64-P71 VanDerWaalsContact SG-CA 3.59Å; C64-A74 WeakPolarHBondContact SG-CB 3.44Å
65	N	96.4	Very high	97.2	Very high	123 Å²	123	35.4 Å²	35.4	66%	0.658	21%	0.205	S	C	*	.	H	α-helix	trans	-68.6	-35.9	179.5	-71	-42.6	0	0	0	112.8	D61 T62 L63	D61-N65 WeakPolarHBondContact O-CB 3.35Å; D61-N65 VanDerWaalsContact O-CG 3.3Å; D61-N65 PolarHBondContact O-N 3.46Å; D61-N65 PolarHBondContact O-ND2 3.27Å; T62-N65 PolarHBondContact O-N 3Å; L63-N65 VanDerWaalsContact C-N 3.25Å; L63-N65 PolarHBondContact O-N 2.83Å
66	L	96.8	Very high	97.2	Very high	74 Å²	74	31.6 Å²	31.6	39%	0.387	19%	0.189	S	C	.	.	H	α-helix	trans	-72	-36.3	-178	-74.4	171	0	0	0	113.8	T62 L63 V85 K89	T62-L66 HydrophobicContact CG2-CD1 3.99Å; T62-L66 VanDerWaalsContact O-CG 3.26Å; T62-L66 WeakPolarHBondContact O-CG 3.41Å; T62-L66 PolarHBondContact O-N 3.46Å; T62-L66 VanDerWaalsContact O-N 3.11Å; L63-L66 PolarHBondContact O-N 3.11Å; L66-V85 HydrophobicContact CD1-CG1 3.6Å; L66-K89 HydrophobicContact CB-CD 4.33Å; L66-K89 HydrophobicContact CD1-CD 4.3Å; L66-K89 HydrophobicContact CD2-CD 4.34Å
67	I	95.2	Very high	97.2	Very high	12 Å²	12	31.6 Å²	31.6	6%	0.062	19%	0.189	C	C	.	.	H	α-helix	trans	-117	4.5	-176.6	60.1	161.9	0	0	0	114.2	L63 V69 L77 I88 K89 F92	L63-I67 HydrophobicContact CD1-CD1 3.93Å; L63-I67 HydrophobicContact CD1-CG1 3.93Å; L63-I67 HydrophobicContact CD1-CG2 4.41Å; L63-I67 HydrophobicContact CG-CD1 4.08Å; L63-I67 HydrophobicContact CG-CG1 4.13Å; L63-I67 VanDerWaalsContact O-CG1 3.26Å; L63-I67 WeakPolarHBondContact O-CG1 3.34Å; L63-I67 PolarHBondContact O-N 3.4Å; I67-V69 HydrophobicContact CD1-CB 4.38Å; I67-V69 HydrophobicContact CD1-CG1 3.81Å; I67-V69 HydrophobicContact CD1-CG2 3.63Å; I67-V69 HydrophobicContact CG1-CB 4.44Å; I67-V69 HydrophobicContact CG1-CG1 3.96Å; I67-V69 HydrophobicContact CG1-CG2 3.79Å; I67-V69 PolarHBondContact O-N 3.07Å; I67-L77 HydrophobicContact CD1-CD1 3.93Å; I67-I88 HydrophobicContact CD1-CG2 4.5Å; I67-K89 HydrophobicContact CG2-CB 4.13Å; I67-K89 HydrophobicContact CG2-CG 4.14Å; I67-F92 HydrophobicContact CB-CD1 3.75Å; I67-F92 HydrophobicContact CB-CE1 4.07Å; I67-F92 HydrophobicContact CB-CG 4.38Å; I67-F92 HydrophobicContact CD1-CB 4.44Å; I67-F92 HydrophobicContact CD1-CD1 4.12Å; I67-F92 HydrophobicContact CD1-CD2 4.18Å; I67-F92 HydrophobicContact CD1-CE1 4.41Å; I67-F92 HydrophobicContact CD1-CE2 4.48Å; I67-F92 HydrophobicContact CD1-CG 3.99Å; I67-F92 HydrophobicContact CG2-CB 4.33Å; I67-F92 HydrophobicContact CG2-CD1 4.01Å; I67-F92 HydrophobicContact CG2-CG 4.42Å
68	S	94	Very high	97.3	Very high	72 Å²	72	30.7 Å²	30.7	50%	0.503	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	47.9	178	-58.8	0	0	0	0	113.6	C64	C64-S68 WeakPolarHBondContact O-CA 3.24Å; C64-S68 PolarHBondContact O-N 2.78Å
69	V	95.7	Very high	97.3	Very high	8 Å²	8	29.3 Å²	29.3	5%	0.048	17%	0.17	C	C	.	.			trans	-118.3	153.5	176.1	-53.5	0	0	0	0	111.4	C64 I67 I73 A74 F92 T124	C64-V69 WeakPolarHBondContact CB-O 3.35Å; C64-V69 PolarHBondContact O-N 3.41Å; C64-V69 PolarHBondContact SG-O 2.97Å; I67-V69 HydrophobicContact CD1-CB 4.38Å; I67-V69 HydrophobicContact CD1-CG1 3.81Å; I67-V69 HydrophobicContact CD1-CG2 3.63Å; I67-V69 HydrophobicContact CG1-CB 4.44Å; I67-V69 HydrophobicContact CG1-CG1 3.96Å; I67-V69 HydrophobicContact CG1-CG2 3.79Å; I67-V69 PolarHBondContact O-N 3.07Å; V69-I73 HydrophobicContact CB-CB 4.26Å; V69-I73 HydrophobicContact CB-CG2 4.14Å; V69-I73 HydrophobicContact CG2-CB 4.24Å; V69-I73 HydrophobicContact CG2-CG2 4.13Å; V69-A74 HydrophobicContact CG2-CB 4.02Å; V69-F92 HydrophobicContact CG1-CE1 4.08Å; V69-F92 HydrophobicContact CG1-CE2 4.15Å; V69-F92 HydrophobicContact CG1-CZ 3.6Å; V69-T124 HydrophobicContact CG1-CG2 3.9Å
70	P	97.2	Very high	97.2	Very high	34 Å²	34	31.5 Å²	31.5	22%	0.221	18%	0.181	C	C	.	.			trans	-68	156.5	175.8	-23.4	37.8	0	0	0	113.3	A72 I73 A74 A120 A123 T124	P70-A72 VanDerWaalsContact C-N 3.32Å; P70-A72 PolarHBondContact O-N 3.14Å; P70-I73 PolarHBondContact O-N 3.16Å; P70-A74 PolarHBondContact O-N 3.23Å; P70-A74 VanDerWaalsContact O-N 3.11Å; P70-A120 HydrophobicContact CB-CB 3.95Å; P70-A120 HydrophobicContact CG-CB 4.23Å; P70-A123 HydrophobicContact CG-CB 3.99Å; P70-T124 WeakPolarHBondContact CD-OG1 3.4Å
71	P	97	Very high	97.1	Very high	41 Å²	41	32.3 Å²	32.3	27%	0.266	19%	0.185	S	C	.	.	H	α-helix	trans	-53.5	-39.9	-176.4	-29.9	36	0	0	0	115.4	V60 C64 I73 A74 R75	V60-P71 HydrophobicContact CG1-CB 4.07Å; C64-P71 VanDerWaalsContact SG-CA 3.59Å; P71-I73 VanDerWaalsContact C-N 3.27Å; P71-I73 PolarHBondContact O-N 3.46Å; P71-A74 PolarHBondContact O-N 3.39Å; P71-R75 WeakPolarHBondContact O-CG 3.33Å; P71-R75 PolarHBondContact O-N 3.35Å
72	A	96.1	Very high	97	Very high	10 Å²	10	36.8 Å²	36.8	8%	0.083	20%	0.201	C	C	.	.	H	α-helix	trans	-60.3	-36.6	178.8	0	0	0	0	0	112.7	P70 L76 A120 I298 E299	P70-A72 VanDerWaalsContact C-N 3.32Å; P70-A72 PolarHBondContact O-N 3.14Å; A72-L76 PolarHBondContact O-N 2.94Å; A72-A120 HydrophobicContact CB-CB 4.08Å; A72-I298 HydrophobicContact CB-CG2 3.76Å; A72-E299 HydrophobicContact CB-CB 4.04Å
73	I	97.3	Very high	97	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-74.8	-44.4	176.2	-58.6	-56	0	0	0	110.2	V69 P70 P71 R75 L76 L77 L100 I105 A120 V121 I298	V69-I73 HydrophobicContact CB-CB 4.26Å; V69-I73 HydrophobicContact CB-CG2 4.14Å; V69-I73 HydrophobicContact CG2-CB 4.24Å; V69-I73 HydrophobicContact CG2-CG2 4.13Å; P70-I73 PolarHBondContact O-N 3.16Å; P71-I73 VanDerWaalsContact C-N 3.27Å; P71-I73 PolarHBondContact O-N 3.46Å; I73-R75 PolarHBondContact O-N 3.04Å; I73-L76 PolarHBondContact O-N 3.36Å; I73-L77 HydrophobicContact CG2-CD1 4.02Å; I73-L77 HydrophobicContact CG2-CG 4.37Å; I73-L77 WeakPolarHBondContact O-CG 3.45Å; I73-L77 PolarHBondContact O-N 2.92Å; I73-L100 HydrophobicContact CG2-CD2 4.16Å; I73-I105 HydrophobicContact CD1-CD1 4.42Å; I73-I105 HydrophobicContact CD1-CG2 3.96Å; I73-I105 HydrophobicContact CG2-CD1 4.17Å; I73-A120 HydrophobicContact CD1-CB 4.42Å; I73-A120 HydrophobicContact CG1-CB 4.14Å; I73-V121 HydrophobicContact CD1-CG2 4.12Å; I73-I298 HydrophobicContact CD1-CD1 4.38Å; I73-I298 HydrophobicContact CD1-CG1 4.36Å; I73-I298 HydrophobicContact CD1-CG2 3.94Å
74	A	98.1	Very high	97	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-59.7	-45.3	178.8	0	0	0	0	0	112.4	V60 L63 C64 V69 P70 P71 L76 L77 L78	V60-A74 HydrophobicContact CG1-CB 4.02Å; L63-A74 HydrophobicContact CB-CB 4.45Å; L63-A74 HydrophobicContact CD2-CB 4.05Å; L63-A74 HydrophobicContact CG-CB 4.31Å; C64-A74 WeakPolarHBondContact SG-CB 3.44Å; V69-A74 HydrophobicContact CG2-CB 4.02Å; P70-A74 PolarHBondContact O-N 3.23Å; P70-A74 VanDerWaalsContact O-N 3.11Å; P71-A74 PolarHBondContact O-N 3.39Å; A74-L76 PolarHBondContact O-N 3.42Å; A74-L77 PolarHBondContact O-N 3.4Å; A74-L78 WeakPolarHBondContact O-CB 3.04Å; A74-L78 WeakPolarHBondContact O-CG 3.47Å; A74-L78 PolarHBondContact O-N 3.43Å
75	R	97.5	Very high	97	Very high	13 Å²	13	39.1 Å²	39.1	5%	0.049	21%	0.21	C	C	.	.	H	α-helix	trans	-57.1	-47.3	176.1	-74.7	-179.5	-144.7	114.5	-3.1	112.2	V60 P71 I73 L77 L78 H79 E299 M323	V60-R75 HydrophobicContact CB-CG 4.42Å; V60-R75 HydrophobicContact CG1-CG 3.93Å; V60-R75 HydrophobicContact CG2-CG 3.54Å; P71-R75 WeakPolarHBondContact O-CG 3.33Å; P71-R75 PolarHBondContact O-N 3.35Å; I73-R75 PolarHBondContact O-N 3.04Å; R75-L77 VanDerWaalsContact C-N 3.35Å; R75-L77 PolarHBondContact O-N 3Å; R75-L78 PolarHBondContact O-N 3.22Å; R75-H79 WeakPolarHBondContact O-CB 3.23Å; R75-H79 PolarHBondContact O-N 3Å; R75-E299 IonicContact CZ-OE1 3.42Å; R75-E299 IonicContact CZ-OE2 2.76Å; R75-E299 IonicContact NH1-OE1 3.84Å; R75-E299 PolarHBondContact NH1-OE1 3.36Å; R75-E299 IonicContact NH1-OE2 2.67Å; R75-E299 PolarHBondContact NH1-OE2 3.22Å; R75-E299 IonicContact NH2-OE1 2.92Å; R75-M323 HydrophobicContact CB-SD 4.41Å
76	L	97.5	Very high	97	Very high	8 Å²	8	38.3 Å²	38.3	4%	0.042	20%	0.202	C	C	.	.	H	α-helix	trans	-63.2	-40.6	178.5	177.2	62.9	0	0	0	112.5	A72 I73 A74 N80 I105 I284 L296 I298	A72-L76 PolarHBondContact O-N 2.94Å; I73-L76 PolarHBondContact O-N 3.36Å; A74-L76 PolarHBondContact O-N 3.42Å; L76-N80 WeakPolarHBondContact CD1-ND2 3.37Å; L76-N80 WeakPolarHBondContact O-CB 3.05Å; L76-N80 PolarHBondContact O-N 2.73Å; L76-N80 PolarHBondContact O-ND2 3.13Å; L76-I105 HydrophobicContact CD2-CD1 3.81Å; L76-I105 HydrophobicContact CD2-CG1 3.5Å; L76-I284 HydrophobicContact CB-CD1 4.35Å; L76-I284 HydrophobicContact CD1-CD1 3.58Å; L76-I284 HydrophobicContact CD1-CG1 3.49Å; L76-I284 VanDerWaalsContact CD1-CG1 3.49Å; L76-L296 HydrophobicContact CD1-CD1 3.85Å; L76-L296 HydrophobicContact CD2-CD1 3.96Å; L76-I298 HydrophobicContact CD2-CD1 3.76Å
77	L	98.2	Very high	97.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-66.1	-41.8	175.7	-67.6	176.9	0	0	0	111.8	L63 I67 I73 A74 R75 N81 I88 F92 T99 H103 I105	L63-L77 HydrophobicContact CD2-CB 4.37Å; I67-L77 HydrophobicContact CD1-CD1 3.93Å; I73-L77 HydrophobicContact CG2-CD1 4.02Å; I73-L77 HydrophobicContact CG2-CG 4.37Å; I73-L77 WeakPolarHBondContact O-CG 3.45Å; I73-L77 PolarHBondContact O-N 2.92Å; A74-L77 PolarHBondContact O-N 3.4Å; R75-L77 VanDerWaalsContact C-N 3.35Å; R75-L77 PolarHBondContact O-N 3Å; L77-N81 WeakPolarHBondContact O-CB 3.16Å; L77-N81 PolarHBondContact O-N 3.46Å; L77-N81 PolarHBondContact O-ND2 2.97Å; L77-I88 HydrophobicContact CB-CD1 4.44Å; L77-I88 HydrophobicContact CB-CG2 4.01Å; L77-I88 HydrophobicContact CD1-CG2 4.11Å; L77-I88 WeakPolarHBondContact O-CD1 3.49Å; L77-F92 HydrophobicContact CD1-CD2 4.37Å; L77-T99 HydrophobicContact CD2-CG2 4.27Å; L77-H103 HydrophobicContact CD2-CB 4.21Å; L77-I105 HydrophobicContact CD2-CD1 4.28Å
78	L	98.4	Very high	97.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62.1	-52	177.3	-74.8	163.6	0	0	0	111.7	T59 V60 L63 A74 R75 N80 N81 K82 W83 V85 I88	T59-L78 HydrophobicContact CG2-CD1 4.39Å; T59-L78 HydrophobicContact CG2-CD2 4.22Å; V60-L78 HydrophobicContact CB-CD1 4.3Å; V60-L78 HydrophobicContact CG2-CD1 3.71Å; L63-L78 HydrophobicContact CB-CD1 4.45Å; L63-L78 HydrophobicContact CD2-CD1 4.09Å; L63-L78 HydrophobicContact CD2-CD2 3.96Å; L63-L78 HydrophobicContact CD2-CG 3.64Å; A74-L78 WeakPolarHBondContact O-CB 3.04Å; A74-L78 WeakPolarHBondContact O-CG 3.47Å; A74-L78 PolarHBondContact O-N 3.43Å; R75-L78 PolarHBondContact O-N 3.22Å; L78-N80 VanDerWaalsContact C-N 3.3Å; L78-N80 PolarHBondContact O-N 2.66Å; L78-N81 CarbonylContact O-C 3.53Å; L78-N81 PolarHBondContact O-N 2.98Å; L78-N81 VanDerWaalsContact O-N 3.13Å; L78-K82 PolarHBondContact O-N 2.85Å; L78-W83 HydrophobicContact CB-CD2 3.96Å; L78-W83 HydrophobicContact CB-CE3 3.99Å; L78-W83 HydrophobicContact CB-CG 4.42Å; L78-W83 HydrophobicContact CB-CH2 4.49Å; L78-W83 HydrophobicContact CB-CZ2 4.49Å; L78-W83 HydrophobicContact CB-CZ3 4.27Å; L78-W83 HydrophobicContact CD1-CE3 4.06Å; L78-W83 HydrophobicContact CD1-CH2 4.49Å; L78-W83 HydrophobicContact CD1-CZ3 3.87Å; L78-W83 HydrophobicContact CD2-CE3 4.08Å; L78-W83 HydrophobicContact CG-CE3 4.26Å; L78-W83 HydrophobicContact CG-CZ3 4.5Å; L78-W83 PolarHBondContact O-N 3.08Å; L78-V85 HydrophobicContact CD2-CG2 3.99Å; L78-I88 HydrophobicContact CD2-CD1 3.82Å; L78-I88 HydrophobicContact CG-CD1 4.25Å
79	H	97.5	Very high	97.4	Very high	38 Å²	38	34.7 Å²	34.7	18%	0.176	18%	0.179	C	C	.	.	H	α-helix	trans	-52.3	-47.7	178	174.7	-85.2	0	0	0	112.1	R75 N81 I284 R322 M323 S326	R75-H79 WeakPolarHBondContact O-CB 3.23Å; R75-H79 PolarHBondContact O-N 3Å; H79-N81 VanDerWaalsContact C-N 3.31Å; H79-N81 PolarHBondContact O-N 3.22Å; H79-I284 HydrophobicContact CB-CD1 3.91Å; H79-R322 PolarHBondContact CD2-O 3.32Å; H79-M323 HydrophobicContact CB-CE 3.79Å; H79-M323 HydrophobicContact CB-SD 4.28Å; H79-S326 VanDerWaalsContact CD2-CB 3.45Å; H79-S326 WeakPolarHBondContact CD2-CB 3.45Å; H79-S326 PolarHBondContact CD2-OG 3.16Å; H79-S326 VanDerWaalsContact CD2-OG 3.25Å
80	N	96.7	Very high	97.5	Very high	71 Å²	71	41.2 Å²	41.2	38%	0.38	21%	0.206	S	C	.	.	H	α-helix	trans	-79.3	-9.8	-175.6	-69.5	-16	0	0	0	114.4	L76 L78	L76-N80 WeakPolarHBondContact CD1-ND2 3.37Å; L76-N80 WeakPolarHBondContact O-CB 3.05Å; L76-N80 PolarHBondContact O-N 2.73Å; L76-N80 PolarHBondContact O-ND2 3.13Å; L78-N80 VanDerWaalsContact C-N 3.3Å; L78-N80 PolarHBondContact O-N 2.66Å
81	N	97.4	Very high	97.4	Very high	19 Å²	19	46.5 Å²	46.5	10%	0.102	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.1	31.2	-177.6	-64.8	-90.9	0	0	0	112.6	L77 L78 H79 W83 D84 I88 R91 H103	L77-N81 WeakPolarHBondContact O-CB 3.16Å; L77-N81 PolarHBondContact O-N 3.46Å; L77-N81 PolarHBondContact O-ND2 2.97Å; L78-N81 CarbonylContact O-C 3.53Å; L78-N81 PolarHBondContact O-N 2.98Å; L78-N81 VanDerWaalsContact O-N 3.13Å; H79-N81 VanDerWaalsContact C-N 3.31Å; H79-N81 PolarHBondContact O-N 3.22Å; N81-W83 PolarHBondContact O-N 3.35Å; N81-W83 VanDerWaalsContact O-N 3.07Å; N81-D84 PolarHBondContact O-N 3.04Å; N81-I88 HydrophobicContact CB-CD1 3.87Å; N81-I88 HydrophobicContact CB-CG1 3.55Å; N81-R91 PolarHBondContact OD1-NH1 3.02Å; N81-R91 VanDerWaalsContact OD1-NH1 3.08Å; N81-H103 PolarHBondContact ND2-NE2 3.48Å
82	K	95.5	Very high	97.4	Very high	168 Å²	168	44.9 Å²	44.9	73%	0.73	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.4	31.3	176.9	-53.4	-178.2	178.1	-175.1	0	113.3	L78 D84	L78-K82 PolarHBondContact O-N 2.85Å; K82-D84 PolarHBondContact O-N 3.06Å
83	W	97.9	Very high	97.3	Very high	18 Å²	18	49.5 Å²	49.5	7%	0.068	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	21.1	-178.9	-63.3	74	0	0	0	115.1	L56 T59 V60 L78 N81 V85 M323 S326 H327	L56-W83 HydrophobicContact CB-CH2 3.97Å; L56-W83 HydrophobicContact CB-CZ3 4.29Å; L56-W83 HydrophobicContact CD2-CE3 4.26Å; L56-W83 HydrophobicContact CD2-CH2 3.38Å; L56-W83 HydrophobicContact CD2-CZ2 3.72Å; L56-W83 HydrophobicContact CD2-CZ3 3.66Å; L56-W83 HydrophobicContact CG-CH2 4.18Å; T59-W83 HydrophobicContact CG2-CE3 3.85Å; T59-W83 HydrophobicContact CG2-CZ3 4.13Å; V60-W83 HydrophobicContact CG2-CH2 4.47Å; V60-W83 HydrophobicContact CG2-CZ3 4.44Å; L78-W83 HydrophobicContact CB-CD2 3.96Å; L78-W83 HydrophobicContact CB-CE3 3.99Å; L78-W83 HydrophobicContact CB-CG 4.42Å; L78-W83 HydrophobicContact CB-CH2 4.49Å; L78-W83 HydrophobicContact CB-CZ2 4.49Å; L78-W83 HydrophobicContact CB-CZ3 4.27Å; L78-W83 HydrophobicContact CD1-CE3 4.06Å; L78-W83 HydrophobicContact CD1-CH2 4.49Å; L78-W83 HydrophobicContact CD1-CZ3 3.87Å; L78-W83 HydrophobicContact CD2-CE3 4.08Å; L78-W83 HydrophobicContact CG-CE3 4.26Å; L78-W83 HydrophobicContact CG-CZ3 4.5Å; L78-W83 PolarHBondContact O-N 3.08Å; N81-W83 PolarHBondContact O-N 3.35Å; N81-W83 VanDerWaalsContact O-N 3.07Å; W83-V85 PolarHBondContact O-N 2.94Å; W83-V85 VanDerWaalsContact O-N 3.08Å; W83-M323 HydrophobicContact CH2-SD 4.23Å; W83-M323 HydrophobicContact CZ2-CB 3.92Å; W83-M323 HydrophobicContact CZ2-CG 4.25Å; W83-M323 HydrophobicContact CZ2-SD 3.71Å; W83-S326 PolarHBondContact NE1-OG 3.02Å; W83-H327 AromaticContact CD1-CD2 3.98Å; W83-H327 AromaticContact CD2-CD2 3.57Å; W83-H327 AromaticContact CE3-CD2 3.93Å; W83-H327 HydrophobicContact CG-CB 4.46Å; W83-H327 AromaticContact CG-CD2 3.6Å
84	D	97.8	Very high	97.1	Very high	83 Å²	83	54.9 Å²	54.9	44%	0.444	27%	0.267	S	S	.	.			trans	-79.8	89.8	175.5	-173.7	-18.6	0	0	0	111.3	N81 K82 E86 A87 I88	N81-D84 PolarHBondContact O-N 3.04Å; K82-D84 PolarHBondContact O-N 3.06Å; D84-E86 VanDerWaalsContact C-N 3.31Å; D84-E86 PolarHBondContact O-N 3.19Å; D84-E86 PolarHBondContact OD1-N 2.99Å; D84-A87 HydrophobicContact CB-CB 3.96Å; D84-A87 PolarHBondContact O-N 2.98Å; D84-A87 WeakPolarHBondContact OD1-CB 3.35Å; D84-A87 PolarHBondContact OD1-N 3.18Å; D84-A87 VanDerWaalsContact OD2-CB 3.25Å; D84-A87 WeakPolarHBondContact OD2-CB 3.21Å; D84-I88 WeakPolarHBondContact O-CD1 3.39Å; D84-I88 WeakPolarHBondContact O-CG1 3.43Å; D84-I88 PolarHBondContact O-N 3.23Å
85	V	98.2	Very high	96.8	Very high	30 Å²	30	58.7 Å²	58.7	18%	0.182	29%	0.287	C	S	.	.	H	α-helix	trans	-55.5	-42.7	-178	177.9	0	0	0	0	112.3	T59 L63 L66 L78 W83 K89	T59-V85 HydrophobicContact CG2-CG2 3.93Å; L63-V85 HydrophobicContact CD1-CG1 4.22Å; L66-V85 HydrophobicContact CD1-CG1 3.6Å; L78-V85 HydrophobicContact CD2-CG2 3.99Å; W83-V85 PolarHBondContact O-N 2.94Å; W83-V85 VanDerWaalsContact O-N 3.08Å; V85-K89 VanDerWaalsContact O-CB 3.27Å; V85-K89 WeakPolarHBondContact O-CB 3.43Å; V85-K89 PolarHBondContact O-N 2.84Å
86	E	97.9	Very high	96.6	Very high	106 Å²	106	59.2 Å²	59.2	50%	0.495	29%	0.292	S	S	.	.	H	α-helix	trans	-76.1	-37.4	-175	-172.1	59.1	-146.6	0	0	111.4	D84 K89 K90	D84-E86 VanDerWaalsContact C-N 3.31Å; D84-E86 PolarHBondContact O-N 3.19Å; D84-E86 PolarHBondContact OD1-N 2.99Å; E86-K89 PolarHBondContact O-N 2.92Å; E86-K89 IonicContact OE1-NZ 2.78Å; E86-K89 PolarHBondContact OE1-NZ 3.25Å; E86-K89 IonicContact OE2-NZ 3.54Å; E86-K89 PolarHBondContact OE2-NZ 3.42Å; E86-K90 VanDerWaalsContact O-CB 3.28Å; E86-K90 WeakPolarHBondContact O-CB 3.45Å; E86-K90 PolarHBondContact O-N 3.34Å
87	A	97.7	Very high	96.3	Very high	28 Å²	28	61.3 Å²	61.3	23%	0.231	30%	0.303	C	S	.	.	H	α-helix	trans	-63.7	-41.9	173	0	0	0	0	0	112	D84 R91	D84-A87 HydrophobicContact CB-CB 3.96Å; D84-A87 PolarHBondContact O-N 2.98Å; D84-A87 WeakPolarHBondContact OD1-CB 3.35Å; D84-A87 PolarHBondContact OD1-N 3.18Å; D84-A87 VanDerWaalsContact OD2-CB 3.25Å; D84-A87 WeakPolarHBondContact OD2-CB 3.21Å; A87-R91 WeakPolarHBondContact O-CB 2.92Å; A87-R91 VanDerWaalsContact O-CG 3.27Å; A87-R91 WeakPolarHBondContact O-CG 3.39Å; A87-R91 PolarHBondContact O-N 3.25Å
88	I	98.2	Very high	95.9	Very high	1 Å²	1	62.7 Å²	62.7	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-61.6	-52	175.4	-64.7	161.2	0	0	0	109.8	L63 I67 L77 L78 N81 D84 K90 R91 F92	L63-I88 HydrophobicContact CD1-CB 4.35Å; L63-I88 HydrophobicContact CD1-CG2 3.95Å; L63-I88 HydrophobicContact CD2-CD1 4.1Å; L63-I88 HydrophobicContact CD2-CG2 4.04Å; I67-I88 HydrophobicContact CD1-CG2 4.5Å; L77-I88 HydrophobicContact CB-CD1 4.44Å; L77-I88 HydrophobicContact CB-CG2 4.01Å; L77-I88 HydrophobicContact CD1-CG2 4.11Å; L77-I88 WeakPolarHBondContact O-CD1 3.49Å; L78-I88 HydrophobicContact CD2-CD1 3.82Å; L78-I88 HydrophobicContact CG-CD1 4.25Å; N81-I88 HydrophobicContact CB-CD1 3.87Å; N81-I88 HydrophobicContact CB-CG1 3.55Å; D84-I88 WeakPolarHBondContact O-CD1 3.39Å; D84-I88 WeakPolarHBondContact O-CG1 3.43Å; D84-I88 PolarHBondContact O-N 3.23Å; I88-K90 VanDerWaalsContact C-N 3.34Å; I88-K90 PolarHBondContact O-N 3.05Å; I88-R91 PolarHBondContact O-N 3.25Å; I88-F92 VanDerWaalsContact O-CB 3.26Å; I88-F92 WeakPolarHBondContact O-CB 3.18Å; I88-F92 PolarHBondContact O-N 2.87Å
89	K	97.8	Very high	95.8	Very high	52 Å²	52	63.1 Å²	63.1	23%	0.226	32%	0.317	C	S	.	.	H	α-helix	trans	-55	-48.9	178.5	173.6	-176.9	156	-146.4	0	111.5	L66 I67 V85 E86 R91 F92 L93	L66-K89 HydrophobicContact CB-CD 4.33Å; L66-K89 HydrophobicContact CD1-CD 4.3Å; L66-K89 HydrophobicContact CD2-CD 4.34Å; I67-K89 HydrophobicContact CG2-CB 4.13Å; I67-K89 HydrophobicContact CG2-CG 4.14Å; V85-K89 VanDerWaalsContact O-CB 3.27Å; V85-K89 WeakPolarHBondContact O-CB 3.43Å; V85-K89 PolarHBondContact O-N 2.84Å; E86-K89 PolarHBondContact O-N 2.92Å; E86-K89 IonicContact OE1-NZ 2.78Å; E86-K89 PolarHBondContact OE1-NZ 3.25Å; E86-K89 IonicContact OE2-NZ 3.54Å; E86-K89 PolarHBondContact OE2-NZ 3.42Å; K89-R91 PolarHBondContact O-N 2.9Å; K89-F92 PolarHBondContact O-N 3.48Å; K89-L93 HydrophobicContact CG-CD1 3.75Å; K89-L93 HydrophobicContact CG-CG 4.34Å; K89-L93 WeakPolarHBondContact O-CB 3.47Å; K89-L93 VanDerWaalsContact O-CG 3.25Å; K89-L93 WeakPolarHBondContact O-CG 3.48Å; K89-L93 PolarHBondContact O-N 3.43Å
90	K	97.2	Very high	95.6	Very high	146 Å²	146	61.4 Å²	61.4	64%	0.635	31%	0.309	S	S	*	.	H	α-helix	trans	-59	-48.2	178	-177.5	178.8	178.5	179.1	0	111.9	E86 I88 T94	E86-K90 VanDerWaalsContact O-CB 3.28Å; E86-K90 WeakPolarHBondContact O-CB 3.45Å; E86-K90 PolarHBondContact O-N 3.34Å; I88-K90 VanDerWaalsContact C-N 3.34Å; I88-K90 PolarHBondContact O-N 3.05Å; K90-T94 WeakPolarHBondContact O-CB 3.09Å; K90-T94 PolarHBondContact O-N 3.33Å; K90-T94 VanDerWaalsContact O-N 3.08Å; K90-T94 PolarHBondContact O-OG1 3Å
91	R	96.5	Very high	95.4	Very high	144 Å²	144	59.6 Å²	59.6	54%	0.543	30%	0.299	S	S	.	.	H	α-helix	trans	-63.6	-47.2	179.2	-73	174	-178.3	-169.2	-1.2	111.6	N81 A87 I88 K89 T94 N95 T99	N81-R91 PolarHBondContact OD1-NH1 3.02Å; N81-R91 VanDerWaalsContact OD1-NH1 3.08Å; A87-R91 WeakPolarHBondContact O-CB 2.92Å; A87-R91 VanDerWaalsContact O-CG 3.27Å; A87-R91 WeakPolarHBondContact O-CG 3.39Å; A87-R91 PolarHBondContact O-N 3.25Å; I88-R91 PolarHBondContact O-N 3.25Å; K89-R91 PolarHBondContact O-N 2.9Å; R91-T94 PolarHBondContact O-N 3.45Å; R91-N95 PolarHBondContact O-N 3.36Å; R91-T99 PolarHBondContact O-OG1 3.44Å
92	F	96	Very high	95.3	Very high	8 Å²	8	64.5 Å²	64.5	4%	0.035	33%	0.325	C	S	.	.	H	α-helix	trans	-63.5	-48.9	-178.7	-168.7	-90.7	0	0	0	111.4	I67 V69 L77 I88 K89 T94 N95 P96 T99 L100 T124 I128	I67-F92 HydrophobicContact CB-CD1 3.75Å; I67-F92 HydrophobicContact CB-CE1 4.07Å; I67-F92 HydrophobicContact CB-CG 4.38Å; I67-F92 HydrophobicContact CD1-CB 4.44Å; I67-F92 HydrophobicContact CD1-CD1 4.12Å; I67-F92 HydrophobicContact CD1-CD2 4.18Å; I67-F92 HydrophobicContact CD1-CE1 4.41Å; I67-F92 HydrophobicContact CD1-CE2 4.48Å; I67-F92 HydrophobicContact CD1-CG 3.99Å; I67-F92 HydrophobicContact CG2-CB 4.33Å; I67-F92 HydrophobicContact CG2-CD1 4.01Å; I67-F92 HydrophobicContact CG2-CG 4.42Å; V69-F92 HydrophobicContact CG1-CE1 4.08Å; V69-F92 HydrophobicContact CG1-CE2 4.15Å; V69-F92 HydrophobicContact CG1-CZ 3.6Å; L77-F92 HydrophobicContact CD1-CD2 4.37Å; I88-F92 VanDerWaalsContact O-CB 3.26Å; I88-F92 WeakPolarHBondContact O-CB 3.18Å; I88-F92 PolarHBondContact O-N 2.87Å; K89-F92 PolarHBondContact O-N 3.48Å; F92-T94 VanDerWaalsContact C-N 3.25Å; F92-T94 PolarHBondContact O-N 3.02Å; F92-N95 CarbonylContact O-C 3.56Å; F92-N95 VanDerWaalsContact O-C 3.25Å; F92-N95 PolarHBondContact O-N 3.26Å; F92-P96 HydrophobicContact CD1-CB 4.34Å; F92-P96 HydrophobicContact CD1-CG 4.48Å; F92-P96 HydrophobicContact CE1-CB 3.99Å; F92-P96 HydrophobicContact CE1-CG 4.35Å; F92-P96 HydrophobicContact CE2-CB 4.18Å; F92-P96 HydrophobicContact CZ-CB 3.91Å; F92-P96 VanDerWaalsContact O-CA 3.27Å; F92-P96 WeakPolarHBondContact O-CA 3.24Å; F92-P96 WeakPolarHBondContact O-CD 3.22Å; F92-P96 WeakPolarHBondContact O-CG 3.27Å; F92-T99 HydrophobicContact CB-CG2 4.4Å; F92-T99 HydrophobicContact CD2-CG2 4Å; F92-L100 HydrophobicContact CE2-CD2 4.08Å; F92-L100 HydrophobicContact CE2-CG 4.23Å; F92-T124 HydrophobicContact CZ-CG2 4.29Å; F92-I128 HydrophobicContact CZ-CD1 4.13Å; F92-I128 HydrophobicContact CZ-CG1 4.39Å
93	L	93.5	Very high	95.4	Very high	107 Å²	107	57.5 Å²	57.5	56%	0.56	30%	0.295	S	S	*	.	H	α-helix	trans	-66.7	-26.2	178.2	-65.6	178.6	0	0	0	113.1	K89	K89-L93 HydrophobicContact CG-CD1 3.75Å; K89-L93 HydrophobicContact CG-CG 4.34Å; K89-L93 WeakPolarHBondContact O-CB 3.47Å; K89-L93 VanDerWaalsContact O-CG 3.25Å; K89-L93 WeakPolarHBondContact O-CG 3.48Å; K89-L93 PolarHBondContact O-N 3.43Å
94	T	94.2	Very high	95.3	Very high	113 Å²	113	59.8 Å²	59.8	69%	0.693	31%	0.308	S	S	*	.	H	α-helix	trans	-71.4	-47	174.4	-58.5	0	0	0	0	111.5	K90 R91 F92	K90-T94 WeakPolarHBondContact O-CB 3.09Å; K90-T94 PolarHBondContact O-N 3.33Å; K90-T94 VanDerWaalsContact O-N 3.08Å; K90-T94 PolarHBondContact O-OG1 3Å; R91-T94 PolarHBondContact O-N 3.45Å; F92-T94 VanDerWaalsContact C-N 3.25Å; F92-T94 PolarHBondContact O-N 3.02Å
95	N	92	Very high	95.1	Very high	80 Å²	80	55.9 Å²	55.9	43%	0.428	29%	0.288	S	S	.	.			trans	-153.4	94.7	176.4	-169.2	-28.7	0	0	0	110.7	R91 F92 L97 A98 T99	R91-N95 PolarHBondContact O-N 3.36Å; F92-N95 CarbonylContact O-C 3.56Å; F92-N95 VanDerWaalsContact O-C 3.25Å; F92-N95 PolarHBondContact O-N 3.26Å; N95-L97 PolarHBondContact O-N 2.88Å; N95-L97 PolarHBondContact OD1-N 2.94Å; N95-A98 HydrophobicContact CB-CB 3.95Å; N95-A98 WeakPolarHBondContact ND2-CB 3.4Å; N95-A98 WeakPolarHBondContact OD1-CB 3.27Å; N95-A98 PolarHBondContact OD1-N 3.44Å; N95-T99 WeakPolarHBondContact O-CB 2.96Å; N95-T99 PolarHBondContact O-N 3.35Å; N95-T99 PolarHBondContact O-OG1 2.93Å
96	P	92.6	Very high	94.9	Very high	23 Å²	23	54.6 Å²	54.6	15%	0.149	28%	0.28	C	S	.	.	H	α-helix	trans	-61.5	-47.2	-175.9	-24.8	31.8	0	0	0	112.5	F92 T99 L100 I128	F92-P96 HydrophobicContact CD1-CB 4.34Å; F92-P96 HydrophobicContact CD1-CG 4.48Å; F92-P96 HydrophobicContact CE1-CB 3.99Å; F92-P96 HydrophobicContact CE1-CG 4.35Å; F92-P96 HydrophobicContact CE2-CB 4.18Å; F92-P96 HydrophobicContact CZ-CB 3.91Å; F92-P96 VanDerWaalsContact O-CA 3.27Å; F92-P96 WeakPolarHBondContact O-CA 3.24Å; F92-P96 WeakPolarHBondContact O-CD 3.22Å; F92-P96 WeakPolarHBondContact O-CG 3.27Å; P96-T99 WeakPolarHBondContact O-CB 3.49Å; P96-T99 PolarHBondContact O-N 3.24Å; P96-L100 WeakPolarHBondContact O-CG 3.03Å; P96-L100 PolarHBondContact O-N 3.23Å; P96-I128 HydrophobicContact CB-CD1 3.56Å; P96-I128 HydrophobicContact CB-CG1 3.72Å; P96-I128 HydrophobicContact CB-CG2 4.09Å; P96-I128 HydrophobicContact CG-CG1 4.39Å; P96-I128 HydrophobicContact CG-CG2 4.37Å
97	L	90.7	Very high	94.4	Very high	53 Å²	53	51 Å²	51	28%	0.277	27%	0.266	S	S	.	.	H	α-helix	trans	-65.8	-44.7	-177	-67.1	175.9	0	0	0	111.8	N95 T99 L100 I101 L106 I111 I128	N95-L97 PolarHBondContact O-N 2.88Å; N95-L97 PolarHBondContact OD1-N 2.94Å; L97-T99 VanDerWaalsContact C-N 3.26Å; L97-T99 PolarHBondContact O-N 2.79Å; L97-L100 PolarHBondContact O-N 2.59Å; L97-I101 VanDerWaalsContact O-CG1 3.3Å; L97-I101 WeakPolarHBondContact O-CG1 3.35Å; L97-I101 PolarHBondContact O-N 3.38Å; L97-L106 HydrophobicContact CD2-CD1 3.93Å; L97-I111 HydrophobicContact CD1-CD1 4.16Å; L97-I128 HydrophobicContact CD2-CD1 4.38Å; L97-I128 HydrophobicContact CD2-CG2 4.42Å; L97-I128 HydrophobicContact CG-CG2 4.33Å
98	A	91.2	Very high	93.4	Very high	29 Å²	29	52.2 Å²	52.2	24%	0.24	28%	0.28	C	S	.	.	H	α-helix	trans	-63	-37.2	175.6	0	0	0	0	0	111.3	N95 I101 N102	N95-A98 HydrophobicContact CB-CB 3.95Å; N95-A98 WeakPolarHBondContact ND2-CB 3.4Å; N95-A98 WeakPolarHBondContact OD1-CB 3.27Å; N95-A98 PolarHBondContact OD1-N 3.44Å; A98-I101 PolarHBondContact O-N 3.33Å; A98-N102 VanDerWaalsContact O-CB 3.32Å; A98-N102 WeakPolarHBondContact O-CB 3.38Å; A98-N102 PolarHBondContact O-N 3.11Å; A98-N102 PolarHBondContact O-ND2 3.02Å; A98-N102 PolarHBondContact O-OD1 3.4Å
99	T	94.5	Very high	91.5	Very high	9 Å²	9	59.9 Å²	59.9	6%	0.055	32%	0.321	C	S	.	.	H	α-helix	trans	-61.5	-47.2	174.8	-58.3	0	0	0	0	110.7	L77 R91 F92 N95 P96 L97 I101 N102 H103	L77-T99 HydrophobicContact CD2-CG2 4.27Å; R91-T99 PolarHBondContact O-OG1 3.44Å; F92-T99 HydrophobicContact CB-CG2 4.4Å; F92-T99 HydrophobicContact CD2-CG2 4Å; N95-T99 WeakPolarHBondContact O-CB 2.96Å; N95-T99 PolarHBondContact O-N 3.35Å; N95-T99 PolarHBondContact O-OG1 2.93Å; P96-T99 WeakPolarHBondContact O-CB 3.49Å; P96-T99 PolarHBondContact O-N 3.24Å; L97-T99 VanDerWaalsContact C-N 3.26Å; L97-T99 PolarHBondContact O-N 2.79Å; T99-I101 PolarHBondContact O-N 3.21Å; T99-N102 PolarHBondContact O-N 3.37Å; T99-H103 PolarHBondContact O-N 2.91Å; T99-H103 PolarHBondContact O-ND1 2.76Å
100	L	94.4	Very high	89.4	Confident	2 Å²	2	63.9 Å²	63.9	1%	0.01	34%	0.344	C	S	.	.	H	α-helix	trans	-64.1	-37.8	177.7	-65	177.2	0	0	0	112.9	I73 F92 P96 L97 H103 N104 I105 L106 T124 I128	I73-L100 HydrophobicContact CG2-CD2 4.16Å; F92-L100 HydrophobicContact CE2-CD2 4.08Å; F92-L100 HydrophobicContact CE2-CG 4.23Å; P96-L100 WeakPolarHBondContact O-CG 3.03Å; P96-L100 PolarHBondContact O-N 3.23Å; L97-L100 PolarHBondContact O-N 2.59Å; L100-H103 PolarHBondContact O-N 2.84Å; L100-N104 PolarHBondContact O-N 2.48Å; L100-I105 HydrophobicContact CB-CB 4.25Å; L100-I105 HydrophobicContact CD2-CB 4.26Å; L100-I105 HydrophobicContact CD2-CD1 3.58Å; L100-I105 HydrophobicContact CD2-CG2 4.18Å; L100-I105 WeakPolarHBondContact O-CB 3.49Å; L100-I105 PolarHBondContact O-N 2.99Å; L100-L106 HydrophobicContact CB-CB 4.44Å; L100-L106 HydrophobicContact CB-CD1 3.82Å; L100-L106 HydrophobicContact CB-CG 3.89Å; L100-L106 HydrophobicContact CD1-CD1 3.78Å; L100-L106 HydrophobicContact CD1-CG 4.27Å; L100-L106 HydrophobicContact CG-CD1 4.48Å; L100-L106 PolarHBondContact O-N 2.72Å; L100-T124 HydrophobicContact CD1-CG2 3.93Å; L100-T124 HydrophobicContact CD2-CG2 4.41Å; L100-I128 HydrophobicContact CD1-CD1 3.73Å
101	I	93.3	Very high	87.1	Confident	32 Å²	32	59.9 Å²	59.9	16%	0.164	33%	0.33	C	S	.	.	H	α-helix	trans	-65.1	-47.2	175.1	-69.3	169.5	0	0	0	110.9	L97 A98 T99 H103 N104 L106 I111	L97-I101 VanDerWaalsContact O-CG1 3.3Å; L97-I101 WeakPolarHBondContact O-CG1 3.35Å; L97-I101 PolarHBondContact O-N 3.38Å; A98-I101 PolarHBondContact O-N 3.33Å; T99-I101 PolarHBondContact O-N 3.21Å; I101-H103 PolarHBondContact O-N 2.87Å; I101-N104 PolarHBondContact O-N 2.79Å; I101-L106 HydrophobicContact CG1-CB 3.97Å; I101-I111 HydrophobicContact CD1-CD1 4.17Å
102	N	95.2	Very high	84.8	Confident	122 Å²	122	60.4 Å²	60.4	65%	0.652	34%	0.338	S	S	*	.	H	α-helix	trans	-61.8	-26.4	-178.8	-70.8	-16.9	0	0	0	112.7	A98 T99	A98-N102 VanDerWaalsContact O-CB 3.32Å; A98-N102 WeakPolarHBondContact O-CB 3.38Å; A98-N102 PolarHBondContact O-N 3.11Å; A98-N102 PolarHBondContact O-ND2 3.02Å; A98-N102 PolarHBondContact O-OD1 3.4Å; T99-N102 PolarHBondContact O-N 3.37Å
103	H	96	Very high	82.9	Confident	21 Å²	21	62.4 Å²	62.4	10%	0.097	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	12.3	175.6	-63.1	87.3	0	0	0	113.1	L77 N81 T99 L100 I101 I105 L296	L77-H103 HydrophobicContact CD2-CB 4.21Å; N81-H103 PolarHBondContact ND2-NE2 3.48Å; T99-H103 PolarHBondContact O-N 2.91Å; T99-H103 PolarHBondContact O-ND1 2.76Å; L100-H103 PolarHBondContact O-N 2.84Å; I101-H103 PolarHBondContact O-N 2.87Å; H103-I105 HydrophobicContact CB-CD1 4.14Å; H103-I105 HydrophobicContact CB-CG1 4.32Å; H103-I105 PolarHBondContact O-N 2.71Å; H103-L296 WeakPolarHBondContact O-CD1 3.34Å
104	N	95.6	Very high	81.3	Confident	66 Å²	66	57.8 Å²	57.8	35%	0.353	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	57	27.4	179	-58.7	-54.1	0	0	0	114.8	L100 I101 N294 V295 L296	L100-N104 PolarHBondContact O-N 2.48Å; I101-N104 PolarHBondContact O-N 2.79Å; N104-N294 WeakPolarHBondContact CB-O 3.46Å; N104-V295 CarbonylContact O-C 3.59Å; N104-V295 VanDerWaalsContact O-CA 3.31Å; N104-V295 WeakPolarHBondContact O-CA 3.2Å; N104-L296 HydrophobicContact CB-CD1 4.32Å; N104-L296 HydrophobicContact CB-CG 4.04Å; N104-L296 PolarHBondContact O-N 2.86Å
105	I	95	Very high	80.3	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.005	30%	0.302	C	S	.	.	S	Bend	trans	-80.7	-35.4	173.3	-61.7	165.7	0	0	0	109.9	I73 L76 L77 L100 H103 V121 S260 I298	I73-I105 HydrophobicContact CD1-CD1 4.42Å; I73-I105 HydrophobicContact CD1-CG2 3.96Å; I73-I105 HydrophobicContact CG2-CD1 4.17Å; L76-I105 HydrophobicContact CD2-CD1 3.81Å; L76-I105 HydrophobicContact CD2-CG1 3.5Å; L77-I105 HydrophobicContact CD2-CD1 4.28Å; L100-I105 HydrophobicContact CB-CB 4.25Å; L100-I105 HydrophobicContact CD2-CB 4.26Å; L100-I105 HydrophobicContact CD2-CD1 3.58Å; L100-I105 HydrophobicContact CD2-CG2 4.18Å; L100-I105 WeakPolarHBondContact O-CB 3.49Å; L100-I105 PolarHBondContact O-N 2.99Å; H103-I105 HydrophobicContact CB-CD1 4.14Å; H103-I105 HydrophobicContact CB-CG1 4.32Å; H103-I105 PolarHBondContact O-N 2.71Å; I105-V121 HydrophobicContact CG2-CG2 3.88Å; I105-S260 PolarHBondContact O-OG 3.17Å; I105-I298 HydrophobicContact CG1-CD1 4.18Å; I105-I298 HydrophobicContact CG2-CD1 4.27Å
106	L	92.7	Very high	80.1	Confident	3 Å²	3	50 Å²	50	2%	0.016	29%	0.286	C	S	.	.	S	Bend	trans	-116.7	152.1	174.4	-63.1	-178.5	0	0	0	110.5	L97 L100 I101 V121 I125	L97-L106 HydrophobicContact CD2-CD1 3.93Å; L100-L106 HydrophobicContact CB-CB 4.44Å; L100-L106 HydrophobicContact CB-CD1 3.82Å; L100-L106 HydrophobicContact CB-CG 3.89Å; L100-L106 HydrophobicContact CD1-CD1 3.78Å; L100-L106 HydrophobicContact CD1-CG 4.27Å; L100-L106 HydrophobicContact CG-CD1 4.48Å; L100-L106 PolarHBondContact O-N 2.72Å; I101-L106 HydrophobicContact CG1-CB 3.97Å; L106-V121 HydrophobicContact CD2-CG1 3.89Å; L106-I125 HydrophobicContact CD2-CD1 3.91Å; L106-I125 HydrophobicContact CD2-CG1 4.35Å
107	P	88.1	Confident	80	Confident	32 Å²	32	51.9 Å²	51.9	21%	0.208	30%	0.295	C	S	.	.			trans	-67.9	152.3	172.4	31.2	-36.9	0	0	0	111.5	S260 V295	P107-S260 WeakPolarHBondContact CD-O 3.47Å; P107-S260 WeakPolarHBondContact CG-O 3.25Å; P107-V295 HydrophobicContact CB-CG2 4.22Å
108	G	77.3	Confident	80.1	Confident	52 Å²	52	49.4 Å²	49.4	54%	0.536	28%	0.282	S	S	.	.	S	Bend	trans	-67.4	144.6	176.9	0	0	0	0	0	113.9	N110	G108-N110 PolarHBondContact O-N 3.25Å
109	L	58.6	Low	80.2	Confident	163 Å²	163	55.3 Å²	55.3	85%	0.853	31%	0.305	S	S	*	.	S	Bend	trans	25.1	0.4	171.5	-77	170	0	0	0	123.4
110	N	52	Low	80.2	Confident	135 Å²	135	55.1 Å²	55.1	72%	0.722	30%	0.304	S	S	*	.			trans	-106.6	60.1	165.1	-85.6	-19.6	0	0	0	109.6	G108 Q112	G108-N110 PolarHBondContact O-N 3.25Å; N110-Q112 PolarHBondContact O-N 3.14Å
111	I	50.7	Low	80.1	Confident	63 Å²	63	55.2 Å²	55.2	32%	0.323	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	66.5	167.1	-50.1	165	0	0	0	107.5	L97 I101	L97-I111 HydrophobicContact CD1-CD1 4.16Å; I101-I111 HydrophobicContact CD1-CD1 4.17Å
112	Q	48.4	Very low	80	Confident	154 Å²	154	54.7 Å²	54.7	72%	0.72	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-18.5	167.6	-74.4	-166.9	-14.1	0	0	111.9	N110	N110-Q112 PolarHBondContact O-N 3.14Å
113	S	54.4	Low	79.8	Confident	51 Å²	51	51.3 Å²	51.3	36%	0.357	29%	0.291	S	S	.	.			trans	175.6	108.1	169.8	46.9	0	0	0	0	109.3	I139	S113-I139 WeakPolarHBondContact CB-O 3.27Å
114	S	59.5	Low	79.7	Confident	9 Å²	9	50.4 Å²	50.4	6%	0.063	29%	0.287	C	S	.	.			trans	-102.2	85.4	172.5	59.9	0	0	0	0	109.3	I125 S260	S114-I125 WeakPolarHBondContact OG-CD1 3.44Å; S114-S260 WeakPolarHBondContact CB-O 3.47Å
115	S	74.8	Confident	79.4	Confident	17 Å²	17	47.8 Å²	47.8	12%	0.119	27%	0.273	C	S	.	.			trans	-79	127	163.9	61.1	0	0	0	0	109.4	Y138 P141	S115-Y138 WeakPolarHBondContact CA-OH 3.37Å; S115-P141 WeakPolarHBondContact OG-CB 3.3Å; S115-P141 WeakPolarHBondContact OG-CD 3.23Å; S115-P141 VanDerWaalsContact OG-CG 3.29Å; S115-P141 WeakPolarHBondContact OG-CG 3.38Å
116	S	87	Confident	78.9	Confident	13 Å²	13	51.8 Å²	51.8	9%	0.091	29%	0.291	C	S	.	.			trans	-126.2	145.5	175.1	-172.9	0	0	0	0	110.1	S118 M122 S260	S116-S118 PolarHBondContact OG-N 3.4Å; S116-S118 VanDerWaalsContact OG-N 3.15Å; S116-M122 PolarHBondContact N-SD 2.88Å; S116-M122 WeakPolarHBondContact O-CG 3.49Å; S116-S260 PolarHBondContact OG-N 3.33Å
117	D	91.2	Very high	78.7	Confident	63 Å²	63	52.9 Å²	52.9	34%	0.337	30%	0.301	S	S	.	.	S	Bend	trans	-80.9	-1.5	169.2	-66.4	-59.5	0	0	0	112.1	Q119 Y257 G258 R264 F301	D117-Q119 PolarHBondContact O-N 2.87Å; D117-Y257 HydrophobicContact CB-CD1 4.24Å; D117-Y257 WeakPolarHBondContact OD2-CA 3.4Å; D117-G258 WeakPolarHBondContact CB-O 3.44Å; D117-G258 PolarHBondContact N-O 2.87Å; D117-G258 PolarHBondContact OD2-N 3.26Å; D117-R264 IonicContact OD1-NH2 3.52Å; D117-R264 PolarHBondContact OD1-NH2 3.14Å; D117-R264 IonicContact OD2-CZ 3.26Å; D117-R264 IonicContact OD2-NE 2.8Å; D117-R264 IonicContact OD2-NH2 3.97Å; D117-R264 PolarHBondContact OD2-NH2 2.87Å; D117-F301 HydrophobicContact CB-CD2 3.89Å; D117-F301 HydrophobicContact CB-CE2 3.72Å
118	S	92.9	Very high	78.7	Confident	0 Å²	0	52 Å²	52	0%	0	29%	0.294	C	S	.	.			trans	-76.1	115.2	165.1	168.6	0	0	0	0	109.6	S116 A120 V121 M122 D300	S116-S118 PolarHBondContact OG-N 3.4Å; S116-S118 VanDerWaalsContact OG-N 3.15Å; S118-A120 PolarHBondContact O-N 3Å; S118-A120 PolarHBondContact OG-N 3.13Å; S118-V121 PolarHBondContact O-N 3.04Å; S118-V121 WeakPolarHBondContact OG-CG2 3.4Å; S118-V121 PolarHBondContact OG-N 3.33Å; S118-V121 VanDerWaalsContact OG-N 3.13Å; S118-M122 WeakPolarHBondContact O-CG 3.35Å; S118-M122 PolarHBondContact O-N 3.4Å; S118-M122 VanDerWaalsContact O-N 3.07Å; S118-D300 WeakPolarHBondContact CA-OD2 3.44Å; S118-D300 VanDerWaalsContact OG-CG 3.27Å; S118-D300 PolarHBondContact OG-OD1 3.34Å; S118-D300 PolarHBondContact OG-OD2 3.36Å; S118-D300 VanDerWaalsContact OG-OD2 3.12Å
119	Q	92.3	Very high	78.9	Confident	153 Å²	153	52.2 Å²	52.2	72%	0.715	28%	0.283	S	S	*	.	H	α-helix	trans	-64.3	-34.9	175.3	-63.5	-178.3	11.8	0	0	110.7	D117 M122 A123 D300	D117-Q119 PolarHBondContact O-N 2.87Å; Q119-M122 PolarHBondContact O-N 2.89Å; Q119-A123 VanDerWaalsContact O-CB 3.25Å; Q119-A123 WeakPolarHBondContact O-CB 3.5Å; Q119-A123 PolarHBondContact O-N 2.76Å; Q119-D300 PolarHBondContact N-OD2 3.33Å
120	A	94.5	Very high	79.8	Confident	6 Å²	6	50.8 Å²	50.8	5%	0.05	28%	0.276	C	S	.	.	H	α-helix	trans	-63.9	-44.8	178.9	0	0	0	0	0	112.1	P70 A72 I73 S118 T124 I298 D300	P70-A120 HydrophobicContact CB-CB 3.95Å; P70-A120 HydrophobicContact CG-CB 4.23Å; A72-A120 HydrophobicContact CB-CB 4.08Å; I73-A120 HydrophobicContact CD1-CB 4.42Å; I73-A120 HydrophobicContact CG1-CB 4.14Å; S118-A120 PolarHBondContact O-N 3Å; S118-A120 PolarHBondContact OG-N 3.13Å; A120-T124 WeakPolarHBondContact O-CB 3.35Å; A120-T124 PolarHBondContact O-N 3.48Å; A120-T124 VanDerWaalsContact O-N 3.13Å; A120-T124 PolarHBondContact O-OG1 2.92Å; A120-I298 HydrophobicContact CB-CG2 4.34Å; A120-D300 HydrophobicContact CB-CB 4.28Å; A120-D300 WeakPolarHBondContact CB-OD1 3.49Å; A120-D300 PolarHBondContact N-OD2 3.28Å
121	V	93.2	Very high	80.8	Confident	4 Å²	4	51.8 Å²	51.8	2%	0.024	27%	0.274	C	S	.	.	H	α-helix	trans	-62.9	-47.3	174.9	173.7	0	0	0	0	110.4	I73 I105 L106 S118 T124 I125 I298	I73-V121 HydrophobicContact CD1-CG2 4.12Å; I105-V121 HydrophobicContact CG2-CG2 3.88Å; L106-V121 HydrophobicContact CD2-CG1 3.89Å; S118-V121 PolarHBondContact O-N 3.04Å; S118-V121 WeakPolarHBondContact OG-CG2 3.4Å; S118-V121 PolarHBondContact OG-N 3.33Å; S118-V121 VanDerWaalsContact OG-N 3.13Å; V121-T124 WeakPolarHBondContact O-CB 3.48Å; V121-T124 PolarHBondContact O-N 3Å; V121-I125 HydrophobicContact CG1-CD1 3.78Å; V121-I125 HydrophobicContact CG1-CG1 4.39Å; V121-I125 WeakPolarHBondContact O-CG1 3.48Å; V121-I125 PolarHBondContact O-N 3.11Å; V121-I298 HydrophobicContact CG2-CB 4.41Å; V121-I298 HydrophobicContact CG2-CG1 3.64Å
122	M	91.4	Very high	81.4	Confident	21 Å²	21	53.3 Å²	53.3	10%	0.103	28%	0.283	C	S	.	.	H	α-helix	trans	-64.5	-44.7	-177.4	-72.7	-48.7	-44.2	0	0	113	S116 S118 Q119 T124 I125 H126 Y138	S116-M122 PolarHBondContact N-SD 2.88Å; S116-M122 WeakPolarHBondContact O-CG 3.49Å; S118-M122 WeakPolarHBondContact O-CG 3.35Å; S118-M122 PolarHBondContact O-N 3.4Å; S118-M122 VanDerWaalsContact O-N 3.07Å; Q119-M122 PolarHBondContact O-N 2.89Å; M122-T124 VanDerWaalsContact C-N 3.27Å; M122-T124 PolarHBondContact O-N 3.42Å; M122-I125 HydrophobicContact CE-CD1 4.5Å; M122-I125 PolarHBondContact O-N 3.06Å; M122-I125 HydrophobicContact SD-CD1 4.13Å; M122-H126 WeakPolarHBondContact CE-NE2 3.22Å; M122-H126 WeakPolarHBondContact O-CB 3.37Å; M122-H126 PolarHBondContact O-CD2 3.5Å; M122-H126 PolarHBondContact O-N 3.46Å; M122-Y138 HydrophobicContact CE-CE1 4.44Å; M122-Y138 HydrophobicContact CE-CE2 3.49Å; M122-Y138 VanDerWaalsContact CE-CE2 3.49Å; M122-Y138 WeakPolarHBondContact CE-OH 3.23Å; M122-Y138 HydrophobicContact SD-CE2 4.45Å; M122-Y138 PolarHBondContact SD-OH 2.81Å
123	A	91.4	Very high	81.2	Confident	50 Å²	50	52.8 Å²	52.8	41%	0.413	29%	0.29	S	S	.	.	H	α-helix	trans	-58.6	-41.2	174.7	0	0	0	0	0	111.5	P70 Q119 H126 A127	P70-A123 HydrophobicContact CG-CB 3.99Å; Q119-A123 VanDerWaalsContact O-CB 3.25Å; Q119-A123 WeakPolarHBondContact O-CB 3.5Å; Q119-A123 PolarHBondContact O-N 2.76Å; A123-H126 PolarHBondContact O-N 2.87Å; A123-A127 WeakPolarHBondContact O-CB 3.41Å; A123-A127 PolarHBondContact O-N 2.72Å
124	T	92.2	Very high	80.7	Confident	2 Å²	2	58.3 Å²	58.3	1%	0.012	31%	0.31	C	S	.	.	H	α-helix	trans	-64.4	-46.5	177.2	-54.6	0	0	0	0	111.8	V69 P70 F92 L100 A120 V121 M122 H126 A127 I128	V69-T124 HydrophobicContact CG1-CG2 3.9Å; P70-T124 WeakPolarHBondContact CD-OG1 3.4Å; F92-T124 HydrophobicContact CZ-CG2 4.29Å; L100-T124 HydrophobicContact CD1-CG2 3.93Å; L100-T124 HydrophobicContact CD2-CG2 4.41Å; A120-T124 WeakPolarHBondContact O-CB 3.35Å; A120-T124 PolarHBondContact O-N 3.48Å; A120-T124 VanDerWaalsContact O-N 3.13Å; A120-T124 PolarHBondContact O-OG1 2.92Å; V121-T124 WeakPolarHBondContact O-CB 3.48Å; V121-T124 PolarHBondContact O-N 3Å; M122-T124 VanDerWaalsContact C-N 3.27Å; M122-T124 PolarHBondContact O-N 3.42Å; T124-H126 VanDerWaalsContact C-N 3.35Å; T124-H126 PolarHBondContact O-N 3.09Å; T124-A127 PolarHBondContact O-N 3.42Å; T124-I128 HydrophobicContact CG2-CD1 3.94Å; T124-I128 WeakPolarHBondContact O-CD1 3.46Å; T124-I128 VanDerWaalsContact O-CG1 3.29Å; T124-I128 WeakPolarHBondContact O-CG1 3.48Å; T124-I128 PolarHBondContact O-N 3.05Å
125	I	89	Confident	79.6	Confident	11 Å²	11	62.7 Å²	62.7	6%	0.056	35%	0.347	C	S	.	.	H	α-helix	trans	-59.7	-46.8	176.5	-68	167	0	0	0	110.4	L106 S114 V121 M122 A127 I128 L129	L106-I125 HydrophobicContact CD2-CD1 3.91Å; L106-I125 HydrophobicContact CD2-CG1 4.35Å; S114-I125 WeakPolarHBondContact OG-CD1 3.44Å; V121-I125 HydrophobicContact CG1-CD1 3.78Å; V121-I125 HydrophobicContact CG1-CG1 4.39Å; V121-I125 WeakPolarHBondContact O-CG1 3.48Å; V121-I125 PolarHBondContact O-N 3.11Å; M122-I125 HydrophobicContact CE-CD1 4.5Å; M122-I125 PolarHBondContact O-N 3.06Å; M122-I125 HydrophobicContact SD-CD1 4.13Å; I125-A127 VanDerWaalsContact C-N 3.34Å; I125-A127 PolarHBondContact O-N 3.47Å; I125-I128 PolarHBondContact O-N 3.2Å; I125-L129 HydrophobicContact CG2-CD1 3.73Å; I125-L129 HydrophobicContact CG2-CG 4.21Å; I125-L129 WeakPolarHBondContact O-CG 3.36Å; I125-L129 PolarHBondContact O-N 2.98Å
126	H	86.4	Confident	78	Confident	85 Å²	85	66 Å²	66	39%	0.394	37%	0.366	S	S	.	.	H	α-helix	trans	-62.2	-41.3	179.3	-75.1	-57.2	0	0	0	112.3	M122 A123 T124 L129 N130	M122-H126 WeakPolarHBondContact CE-NE2 3.22Å; M122-H126 WeakPolarHBondContact O-CB 3.37Å; M122-H126 PolarHBondContact O-CD2 3.5Å; M122-H126 PolarHBondContact O-N 3.46Å; A123-H126 PolarHBondContact O-N 2.87Å; T124-H126 VanDerWaalsContact C-N 3.35Å; T124-H126 PolarHBondContact O-N 3.09Å; H126-L129 PolarHBondContact O-N 3.01Å; H126-N130 WeakPolarHBondContact O-CB 3.26Å; H126-N130 PolarHBondContact O-N 3.3Å; H126-N130 PolarHBondContact O-ND2 3.04Å
127	A	87.7	Confident	75.7	Confident	27 Å²	27	70.2 Å²	70.2	22%	0.223	39%	0.393	C	S	.	.	H	α-helix	trans	-58.6	-51	174.2	0	0	0	0	0	110.8	A123 T124 I125 L129 N130 F131	A123-A127 WeakPolarHBondContact O-CB 3.41Å; A123-A127 PolarHBondContact O-N 2.72Å; T124-A127 PolarHBondContact O-N 3.42Å; I125-A127 VanDerWaalsContact C-N 3.34Å; I125-A127 PolarHBondContact O-N 3.47Å; A127-L129 PolarHBondContact O-N 3.29Å; A127-N130 PolarHBondContact O-N 2.95Å; A127-F131 WeakPolarHBondContact O-CD2 3.45Å; A127-F131 PolarHBondContact O-N 3.44Å
128	I	87.1	Confident	73.1	Confident	12 Å²	12	70.7 Å²	70.7	6%	0.062	39%	0.391	C	S	.	.	H	α-helix	trans	-58.9	-45.9	179.8	-65.4	162.4	0	0	0	111.8	F92 P96 L97 L100 T124 I125 N130 F131 N132	F92-I128 HydrophobicContact CZ-CD1 4.13Å; F92-I128 HydrophobicContact CZ-CG1 4.39Å; P96-I128 HydrophobicContact CB-CD1 3.56Å; P96-I128 HydrophobicContact CB-CG1 3.72Å; P96-I128 HydrophobicContact CB-CG2 4.09Å; P96-I128 HydrophobicContact CG-CG1 4.39Å; P96-I128 HydrophobicContact CG-CG2 4.37Å; L97-I128 HydrophobicContact CD2-CD1 4.38Å; L97-I128 HydrophobicContact CD2-CG2 4.42Å; L97-I128 HydrophobicContact CG-CG2 4.33Å; L100-I128 HydrophobicContact CD1-CD1 3.73Å; T124-I128 HydrophobicContact CG2-CD1 3.94Å; T124-I128 WeakPolarHBondContact O-CD1 3.46Å; T124-I128 VanDerWaalsContact O-CG1 3.29Å; T124-I128 WeakPolarHBondContact O-CG1 3.48Å; T124-I128 PolarHBondContact O-N 3.05Å; I125-I128 PolarHBondContact O-N 3.2Å; I128-N130 VanDerWaalsContact C-N 3.35Å; I128-N130 PolarHBondContact O-N 3.47Å; I128-F131 PolarHBondContact O-N 3.39Å; I128-N132 PolarHBondContact O-N 3.29Å
129	L	82.2	Confident	70.4	Confident	58 Å²	58	75.5 Å²	75.5	30%	0.304	42%	0.416	S	S	.	.	H	α-helix	trans	-67.5	-33.7	-179.3	-69.9	176.3	0	0	0	112.8	I125 H126 A127 F131 N132	I125-L129 HydrophobicContact CG2-CD1 3.73Å; I125-L129 HydrophobicContact CG2-CG 4.21Å; I125-L129 WeakPolarHBondContact O-CG 3.36Å; I125-L129 PolarHBondContact O-N 2.98Å; H126-L129 PolarHBondContact O-N 3.01Å; A127-L129 PolarHBondContact O-N 3.29Å; L129-F131 VanDerWaalsContact C-N 3.27Å; L129-F131 PolarHBondContact O-N 2.98Å; L129-N132 CarbonylContact O-C 3.51Å; L129-N132 PolarHBondContact O-N 2.98Å
130	N	78.5	Confident	67.8	Low	132 Å²	132	75.7 Å²	75.7	71%	0.706	41%	0.414	S	S	*	.	H	α-helix	trans	-68.6	-27.3	175.6	-73.8	-15.9	0	0	0	112.4	H126 A127 I128	H126-N130 WeakPolarHBondContact O-CB 3.26Å; H126-N130 PolarHBondContact O-N 3.3Å; H126-N130 PolarHBondContact O-ND2 3.04Å; A127-N130 PolarHBondContact O-N 2.95Å; I128-N130 VanDerWaalsContact C-N 3.35Å; I128-N130 PolarHBondContact O-N 3.47Å
131	F	71.2	Confident	65.3	Low	156 Å²	156	76.7 Å²	76.7	68%	0.684	42%	0.42	S	S	*	.	H	α-helix	trans	-81.4	-36.9	173.9	-75.7	-70.2	0	0	0	113	A127 I128 L129	A127-F131 WeakPolarHBondContact O-CD2 3.45Å; A127-F131 PolarHBondContact O-N 3.44Å; I128-F131 PolarHBondContact O-N 3.39Å; L129-F131 VanDerWaalsContact C-N 3.27Å; L129-F131 PolarHBondContact O-N 2.98Å
132	N	63.6	Low	63	Low	96 Å²	96	82 Å²	82	51%	0.513	46%	0.455	S	S	.	.	S	Bend	trans	-98.9	97.6	-178.9	-74.7	2.4	0	0	0	110.5	I128 L129 Q134	I128-N132 PolarHBondContact O-N 3.29Å; L129-N132 CarbonylContact O-C 3.51Å; L129-N132 PolarHBondContact O-N 2.98Å; N132-Q134 PolarHBondContact O-N 3.28Å
133	V	45.1	Very low	60.6	Low	142 Å²	142	90 Å²	90	86%	0.861	49%	0.489	S	S	*	.			trans	-71.2	61.2	177.9	-169	0	0	0	0	112.1
134	Q	43.6	Very low	58.6	Low	167 Å²	167	90.9 Å²	90.9	78%	0.78	49%	0.486	S	S	*	.			trans	-127.8	99.5	154.5	-89.8	-173.2	-18.4	0	0	106.8	N132 V136	N132-Q134 PolarHBondContact O-N 3.28Å; Q134-V136 PolarHBondContact O-N 3.45Å
135	A	37.3	Very low	56.8	Low	101 Å²	101	94.4 Å²	94.4	84%	0.835	51%	0.508	S	S	*	.			trans	-65.1	92.8	178.2	0	0	0	0	0	110	P137	A135-P137 WeakPolarHBondContact O-CD 3.5Å
136	V	41.2	Very low	55.1	Low	86 Å²	86	98 Å²	98	52%	0.521	53%	0.531	S	S	.	.			trans	-73	119.5	157.9	-174	0	0	0	0	106	Q134 Y138	Q134-V136 PolarHBondContact O-N 3.45Å; V136-Y138 PolarHBondContact O-N 3.34Å; V136-Y138 VanDerWaalsContact O-N 3.12Å
137	P	37.6	Very low	53.6	Low	103 Å²	103	100.1 Å²	100.1	67%	0.669	55%	0.546	S	S	*	.			trans	-59.1	121	-177.3	-20.8	31.2	0	0	0	110.2	A135 I139	A135-P137 WeakPolarHBondContact O-CD 3.5Å; P137-I139 PolarHBondContact O-N 2.84Å
138	Y	35.7	Very low	52.8	Low	72 Å²	72	100.1 Å²	100.1	28%	0.282	54%	0.544	S	S	.	.			trans	-71.2	95.8	172.3	-167.5	-97.9	0	0	0	108.3	S115 M122 V136 F140	S115-Y138 WeakPolarHBondContact CA-OH 3.37Å; M122-Y138 HydrophobicContact CE-CE1 4.44Å; M122-Y138 HydrophobicContact CE-CE2 3.49Å; M122-Y138 VanDerWaalsContact CE-CE2 3.49Å; M122-Y138 WeakPolarHBondContact CE-OH 3.23Å; M122-Y138 HydrophobicContact SD-CE2 4.45Å; M122-Y138 PolarHBondContact SD-OH 2.81Å; V136-Y138 PolarHBondContact O-N 3.34Å; V136-Y138 VanDerWaalsContact O-N 3.12Å; Y138-F140 HydrophobicContact CE1-CD1 4.44Å; Y138-F140 PolarHBondContact O-N 2.95Å
139	I	36.7	Very low	52.5	Low	102 Å²	102	101.9 Å²	101.9	52%	0.523	56%	0.557	S	S	.	*			trans	-74.4	111.3	168.2	-57.3	171.8	0	0	0	105.5	S113 P137	S113-I139 WeakPolarHBondContact CB-O 3.27Å; P137-I139 PolarHBondContact O-N 2.84Å
140	F	37.5	Very low	52.5	Low	156 Å²	156	99.1 Å²	99.1	68%	0.684	54%	0.543	S	S	*	.			trans	-46.3	146.6	163	-78	-86.4	0	0	0	108.6	Y138	Y138-F140 HydrophobicContact CE1-CD1 4.44Å; Y138-F140 PolarHBondContact O-N 2.95Å
141	P	43	Very low	52.7	Low	27 Å²	27	98.2 Å²	98.2	18%	0.175	53%	0.534	C	S	.	.			trans	-47	148.2	-179.4	8.7	-12.9	0	0	0	109.2	S115 K143	S115-P141 WeakPolarHBondContact OG-CB 3.3Å; S115-P141 WeakPolarHBondContact OG-CD 3.23Å; S115-P141 VanDerWaalsContact OG-CG 3.29Å; S115-P141 WeakPolarHBondContact OG-CG 3.38Å; P141-K143 PolarHBondContact O-N 3.28Å
142	P	44.1	Very low	53.3	Low	115 Å²	115	95.1 Å²	95.1	75%	0.747	52%	0.524	S	S	*	.	S	Bend	trans	-44.4	118.4	171.6	21	-32.4	0	0	0	106.3	I144	P142-I144 PolarHBondContact O-N 2.9Å
143	K	42.7	Very low	54.5	Low	191 Å²	191	92.9 Å²	92.9	83%	0.83	52%	0.515	S	S	*	.			trans	-47.9	117.9	-173.8	-76.7	179.5	177.4	178.2	0	105	P141 T145	P141-K143 PolarHBondContact O-N 3.28Å; K143-T145 VanDerWaalsContact C-N 3.26Å; K143-T145 PolarHBondContact O-N 3.44Å
144	I	49.3	Very low	56.4	Low	68 Å²	68	94.5 Å²	94.5	35%	0.349	51%	0.507	S	S	.	.			trans	-43.9	105.3	166.2	-74.2	173.2	0	0	0	103.7	P142 S148 L256	P142-I144 PolarHBondContact O-N 2.9Å; I144-S148 WeakPolarHBondContact CG2-OG 3.41Å; I144-L256 HydrophobicContact CD1-CB 4.4Å
145	T	52.5	Low	58	Low	76 Å²	76	90.3 Å²	90.3	47%	0.466	49%	0.493	S	S	.	.			trans	-66.7	150.4	168.6	53.3	0	0	0	0	104.7	K143 D147 S148	K143-T145 VanDerWaalsContact C-N 3.26Å; K143-T145 PolarHBondContact O-N 3.44Å; T145-D147 PolarHBondContact O-N 3.23Å; T145-S148 PolarHBondContact O-N 2.95Å; T145-S148 PolarHBondContact O-OG 3.33Å
146	P	53.8	Low	59.6	Low	85 Å²	85	88.5 Å²	88.5	55%	0.552	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.6	-18.8	170.8	-27.2	35.2	0	0	0	113.5	V156	P146-V156 WeakPolarHBondContact O-CG1 3.39Å
147	D	56.2	Low	60.5	Low	130 Å²	130	85.7 Å²	85.7	70%	0.695	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-4.7	-179.8	-46.2	-46.1	0	0	0	115	T145 C149	T145-D147 PolarHBondContact O-N 3.23Å; D147-C149 PolarHBondContact O-N 3.26Å; D147-C149 VanDerWaalsContact O-N 3.13Å
148	S	70	Confident	61.3	Low	28 Å²	28	85.7 Å²	85.7	20%	0.196	46%	0.458	C	S	.	.			trans	-70.1	114.6	-178.9	69.7	0	0	0	0	110.3	I144 T145 P157	I144-S148 WeakPolarHBondContact CG2-OG 3.41Å; T145-S148 PolarHBondContact O-N 2.95Å; T145-S148 PolarHBondContact O-OG 3.33Å; S148-P157 WeakPolarHBondContact O-CD 3.38Å
149	C	80	Confident	61.6	Low	49 Å²	49	87.6 Å²	87.6	33%	0.331	47%	0.473	S	S	.	.			trans	-96.3	158.1	177.6	64.8	0	0	0	0	111.6	D147 E151 Y154 T155 V156	D147-C149 PolarHBondContact O-N 3.26Å; D147-C149 VanDerWaalsContact O-N 3.13Å; C149-E151 PolarHBondContact O-N 3.18Å; C149-Y154 WeakPolarHBondContact CB-O 3.33Å; C149-T155 WeakPolarHBondContact CA-O 3.46Å; C149-V156 HydrophobicContact CB-CG2 4.05Å
150	C	83.9	Confident	61.3	Low	0 Å²	0	91.4 Å²	91.4	0%	0	49%	0.486	C	S	.	.			trans	-63.2	128.1	169.7	179.7	0	0	0	0	110.2	I152 C153 Y154 T155 L256 C266	C150-I152 PolarHBondContact O-N 2.88Å; C150-I152 VanDerWaalsContact O-N 3.11Å; C150-C153 VanDerWaalsContact CB-SG 3.51Å; C150-C153 VanDerWaalsContact SG-SG 3.64Å; C150-Y154 WeakPolarHBondContact O-CA 3.44Å; C150-Y154 PolarHBondContact O-N 3.01Å; C150-T155 PolarHBondContact N-O 3.06Å; C150-L256 HydrophobicContact CB-CD2 3.95Å; C150-C266 HydrophobicContact CB-CB 3.86Å; C150-C266 PolarHBondContact SG-N 3.12Å
151	E	81.2	Confident	61	Low	112 Å²	112	89.4 Å²	89.4	52%	0.523	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-18.9	179.7	-65.9	-179	173.2	0	0	113.8	C149 F265	C149-E151 PolarHBondContact O-N 3.18Å; E151-F265 HydrophobicContact CB-CD1 4.43Å; E151-F265 HydrophobicContact CB-CE1 4.11Å
152	I	84.9	Confident	60.5	Low	91 Å²	91	97.4 Å²	97.4	47%	0.467	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-50.1	-179.3	-66.3	-178.4	0	0	0	112.1	C150 F265 M289	C150-I152 PolarHBondContact O-N 2.88Å; C150-I152 VanDerWaalsContact O-N 3.11Å; I152-F265 HydrophobicContact CD1-CD1 3.83Å; I152-F265 HydrophobicContact CD1-CE1 3.99Å; I152-F265 HydrophobicContact CG1-CD1 3.8Å; I152-F265 HydrophobicContact CG1-CE1 3.92Å; I152-M289 HydrophobicContact CD1-CG 3.85Å; I152-M289 HydrophobicContact CD1-SD 3.18Å; I152-M289 WeakPolarHBondContact CD1-SD 3.44Å; I152-M289 HydrophobicContact CG1-SD 4.41Å
153	C	89.4	Confident	59.7	Low	50 Å²	50	98.2 Å²	98.2	34%	0.338	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	0	-173.2	70.9	0	0	0	0	114.1	C150 T155 C266	C150-C153 VanDerWaalsContact CB-SG 3.51Å; C150-C153 VanDerWaalsContact SG-SG 3.64Å; C153-T155 PolarHBondContact O-N 3.42Å; C153-T155 PolarHBondContact O-OG1 3.34Å; C153-T155 PolarHBondContact SG-OG1 2.99Å; C153-C266 PolarHBondContact SG-SG 3.02Å
154	Y	83.9	Confident	59	Low	176 Å²	176	95 Å²	95	69%	0.69	52%	0.518	S	S	*	.			trans	55.3	13.3	-179	-56.1	-83.9	0	0	0	115.1	C149 C150	C149-Y154 WeakPolarHBondContact CB-O 3.33Å; C150-Y154 WeakPolarHBondContact O-CA 3.44Å; C150-Y154 PolarHBondContact O-N 3.01Å
155	T	77.6	Confident	58	Low	79 Å²	79	97.6 Å²	97.6	49%	0.485	54%	0.537	S	S	.	.	P	Polyproline II helix	trans	-76.2	132.1	176.5	-44.2	0	0	0	0	110.3	C149 C150 C153	C149-T155 WeakPolarHBondContact CA-O 3.46Å; C150-T155 PolarHBondContact N-O 3.06Å; C153-T155 PolarHBondContact O-N 3.42Å; C153-T155 PolarHBondContact O-OG1 3.34Å; C153-T155 PolarHBondContact SG-OG1 2.99Å
156	V	71.5	Confident	56.9	Low	62 Å²	62	100.6 Å²	100.6	38%	0.376	55%	0.55	S	S	.	.	P	Polyproline II helix	trans	-84.8	132.7	170.3	179.7	0	0	0	0	108.6	P146 C149 S158	P146-V156 WeakPolarHBondContact O-CG1 3.39Å; C149-V156 HydrophobicContact CB-CG2 4.05Å; V156-S158 PolarHBondContact O-N 3.45Å
157	P	59.5	Low	56.2	Low	28 Å²	28	103.2 Å²	103.2	18%	0.182	56%	0.558	C	S	.	*	P	Polyproline II helix	trans	-56.7	122.6	174.2	-21.8	32.2	0	0	0	110	S148 N159 L256	S148-P157 WeakPolarHBondContact O-CD 3.38Å; P157-N159 PolarHBondContact O-N 3.16Å; P157-L256 HydrophobicContact CG-CD2 4.13Å; P157-L256 HydrophobicContact CG-CG 4.02Å
158	S	55.1	Low	54.9	Low	103 Å²	103	103.8 Å²	103.8	72%	0.72	55%	0.554	S	S	*	*			trans	-60.3	94.1	-172.1	-51.9	0	0	0	0	112	V156 K160	V156-S158 PolarHBondContact O-N 3.45Å; S158-K160 PolarHBondContact O-N 3.02Å
159	N	40.5	Very low	53.1	Low	112 Å²	112	107.8 Å²	107.8	60%	0.599	57%	0.573	S	S	*	*			trans	-66	131.9	160.7	-94.1	-28.1	0	0	0	107.8	P157 T161	P157-N159 PolarHBondContact O-N 3.16Å; N159-T161 VanDerWaalsContact C-N 3.33Å; N159-T161 PolarHBondContact O-N 3.42Å
160	K	31.5	Very low	50.9	Low	182 Å²	182	114 Å²	114	79%	0.791	60%	0.598	S	S	*	*			trans	-52.8	95.7	170.7	-67.8	175.6	179.8	174.9	0	110.1	S158	S158-K160 PolarHBondContact O-N 3.02Å
161	T	30.8	Very low	48.7	Very low	114 Å²	114	117.3 Å²	117.3	70%	0.699	62%	0.621	S	S	*	*			trans	-131.9	113.2	152.7	49.1	0	0	0	0	106.4	N159 N163	N159-T161 VanDerWaalsContact C-N 3.33Å; N159-T161 PolarHBondContact O-N 3.42Å; T161-N163 PolarHBondContact O-N 3.47Å
162	E	31.7	Very low	46.4	Very low	194 Å²	194	116 Å²	116	91%	0.907	62%	0.618	S	S	*	*	S	Bend	trans	-54.7	88.2	163.4	-67.4	172.4	169.8	0	0	107.7
163	N	28	Very low	44.1	Very low	132 Å²	132	117.1 Å²	117.1	71%	0.706	62%	0.623	S	S	*	*	S	Bend	trans	164.1	102.2	156.4	-85.2	-30	0	0	0	107.6	T161 V165	T161-N163 PolarHBondContact O-N 3.47Å; N163-V165 PolarHBondContact O-N 2.57Å
164	P	28.2	Very low	41.5	Very low	125 Å²	125	122.2 Å²	122.2	81%	0.812	64%	0.643	S	S	*	*			trans	-65	106.7	170.9	26.9	-29.9	0	0	0	107.8	N166	P164-N166 PolarHBondContact O-N 3.44Å; P164-N166 VanDerWaalsContact O-N 3.11Å
165	V	28	Very low	39.1	Very low	121 Å²	121	121.3 Å²	121.3	73%	0.733	65%	0.645	S	S	*	*			trans	-69.4	106.9	165.5	179.9	0	0	0	0	105.8	N163 I167	N163-V165 PolarHBondContact O-N 2.57Å; V165-I167 HydrophobicContact CG1-CG1 4.48Å; V165-I167 PolarHBondContact O-N 3.21Å
166	N	28.7	Very low	36.9	Very low	139 Å²	139	124.8 Å²	124.8	74%	0.743	66%	0.659	S	S	*	*			trans	-59	104.2	166	-96.5	-25.7	0	0	0	107.6	P164 F168	P164-N166 PolarHBondContact O-N 3.44Å; P164-N166 VanDerWaalsContact O-N 3.11Å; N166-F168 PolarHBondContact O-N 2.91Å
167	I	39.9	Very low	34.8	Very low	140 Å²	140	130 Å²	130	72%	0.718	68%	0.679	S	S	*	*	S	Bend	trans	-75.3	-5.7	176.4	-67.4	172.6	0	0	0	111.4	V165	V165-I167 HydrophobicContact CG1-CG1 4.48Å; V165-I167 PolarHBondContact O-N 3.21Å
168	F	29.3	Very low	33.3	Very low	143 Å²	143	133.3 Å²	133.3	63%	0.627	70%	0.703	S	S	*	*	S	Bend	trans	-110.6	107.3	173.7	-60.6	-74.3	0	0	0	109.7	N166 L173	N166-F168 PolarHBondContact O-N 2.91Å; F168-L173 HydrophobicContact CB-CD1 4.47Å
169	N	30.6	Very low	31.9	Very low	111 Å²	111	133.7 Å²	133.7	59%	0.594	71%	0.706	S	S	*	*			trans	-65.7	135.7	161	-81.2	-27.1	0	0	0	107.6	S171 D172	N169-S171 WeakPolarHBondContact CB-OG 3.41Å; N169-S171 PolarHBondContact O-N 3.49Å; N169-D172 PolarHBondContact O-N 2.74Å
170	E	34.4	Very low	31.1	Very low	181 Å²	181	134.5 Å²	134.5	85%	0.846	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55	-13.1	177.9	-79.1	174.5	138.1	0	0	113.8
171	S	37.4	Very low	30.7	Very low	68 Å²	68	131.2 Å²	131.2	48%	0.476	72%	0.715	S	S	.	*	T	Hydrogen-bonded Turn	trans	-69.1	-31	170.3	55	0	0	0	0	114.1	N169	N169-S171 WeakPolarHBondContact CB-OG 3.41Å; N169-S171 PolarHBondContact O-N 3.49Å
172	D	34.4	Very low	30.4	Very low	86 Å²	86	130.9 Å²	130.9	46%	0.46	72%	0.717	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.4	-25.7	-170.2	-60.2	-15.7	0	0	0	111.7	N169 Q174 Q175	N169-D172 PolarHBondContact O-N 2.74Å; D172-Q174 PolarHBondContact O-N 3.41Å; D172-Q175 PolarHBondContact O-N 2.7Å
173	L	35.9	Very low	30.1	Very low	113 Å²	113	131.8 Å²	131.8	59%	0.592	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	-21	173.6	-119.8	97.4	0	0	0	112.9	F168 Q175	F168-L173 HydrophobicContact CB-CD1 4.47Å; L173-Q175 VanDerWaalsContact C-N 3.33Å
174	Q	34.3	Very low	29.8	Very low	158 Å²	158	135.1 Å²	135.1	74%	0.738	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	-10.6	178.7	-66.4	-173.9	8.3	0	0	113.5	D172	D172-Q174 PolarHBondContact O-N 3.41Å
175	Q	34.7	Very low	29.5	Very low	157 Å²	157	132.8 Å²	132.8	73%	0.734	73%	0.728	S	S	*	*	S	Bend	trans	-93.1	-8.9	179.8	-67.5	-166.7	13.4	0	0	114.7	D172 L173 H177	D172-Q175 PolarHBondContact O-N 2.7Å; L173-Q175 VanDerWaalsContact C-N 3.33Å; Q175-H177 VanDerWaalsContact C-N 3.35Å
176	L	30.1	Very low	29.2	Very low	152 Å²	152	135 Å²	135	80%	0.796	74%	0.736	S	S	*	*	S	Bend	trans	-85	-7.7	173.8	-80.4	160.5	0	0	0	113.8
177	H	28.2	Very low	28.9	Very low	171 Å²	171	132.9 Å²	132.9	79%	0.792	73%	0.731	S	S	*	*	S	Bend	trans	-109.8	61.5	173.5	-69	-73.8	0	0	0	111.3	Q175	Q175-H177 VanDerWaalsContact C-N 3.35Å
178	S	27.8	Very low	28.2	Very low	98 Å²	98	134.8 Å²	134.8	69%	0.685	73%	0.734	S	S	*	*			trans	-147.6	131.3	156	54.8	0	0	0	0	111.6
179	S	26	Very low	27.9	Very low	111 Å²	111	135.4 Å²	135.4	78%	0.776	74%	0.744	S	S	*	*			trans	-71.6	139.4	-160.6	-30.7	0	0	0	0	113.6
180	T	22.9	Very low	27.5	Very low	129 Å²	129	136.2 Å²	136.2	79%	0.791	76%	0.757	S	S	*	*			trans	18.3	114.6	136.5	58.1	0	0	0	0	117.6
181	S	24.1	Very low	26.8	Very low	112 Å²	112	134.1 Å²	134.1	78%	0.783	76%	0.757	S	S	*	*			trans	-167.5	112.6	132.7	-82	0	0	0	0	111.4
182	S	23.4	Very low	26.3	Very low	107 Å²	107	135.8 Å²	135.8	75%	0.748	77%	0.769	S	S	*	*			trans	13.2	117	140.7	46.8	0	0	0	0	118.2
183	K	25.6	Very low	25.7	Very low	213 Å²	213	137 Å²	137	93%	0.926	78%	0.784	S	S	*	*			trans	-164.4	127.1	131.3	-107.4	164.4	-171.3	-178.7	0	112.3
184	Q	21.1	Very low	25.1	Very low	203 Å²	203	141.4 Å²	141.4	95%	0.949	80%	0.799	S	S	*	*			trans	-55.5	141.7	166	-69.9	163	-26.3	0	0	110.9
185	G	23.6	Very low	24.6	Very low	75 Å²	75	140 Å²	140	77%	0.773	80%	0.804	S	S	*	*			trans	-172.1	91.4	173.5	0	0	0	0	0	111.7
186	N	20.4	Very low	24	Very low	169 Å²	169	138.6 Å²	138.6	90%	0.904	81%	0.811	S	S	*	*			trans	-43.1	141.3	162.5	-86.4	-21.2	0	0	0	112.5
187	S	23.6	Very low	23.7	Very low	93 Å²	93	134.8 Å²	134.8	65%	0.65	81%	0.809	S	S	*	*				165.7	115.9	117.9	176.4	0	0	0	0	113.2
188	K	23.7	Very low	23.4	Very low	180 Å²	180	134.7 Å²	134.7	78%	0.783	81%	0.812	S	S	*	*			trans	65.2	111.5	134.7	-61.2	175.6	-173.8	175.7	0	119.9
189	N	23.4	Very low	23.2	Very low	156 Å²	156	135.4 Å²	135.4	83%	0.834	81%	0.813	S	S	*	*				24.2	99.4	121.2	-65.6	-1.6	0	0	0	116.6
190	C	23	Very low	23.2	Very low	128 Å²	128	136.1 Å²	136.1	87%	0.865	81%	0.814	S	S	*	*			trans	-110.6	88.4	155.6	-76.5	0	0	0	0	109
191	T	20.3	Very low	23.2	Very low	138 Å²	138	139 Å²	139	85%	0.847	82%	0.816	S	S	*	*			trans	-81.5	113.9	152.4	34.1	0	0	0	0	107.1
192	S	24.9	Very low	23.2	Very low	103 Å²	103	138.2 Å²	138.2	72%	0.72	81%	0.811	S	S	*	*			trans	-141.8	95.5	165.7	65.1	0	0	0	0	110.5
193	S	23.7	Very low	23	Very low	112 Å²	112	138.7 Å²	138.7	78%	0.783	81%	0.814	S	S	*	*				47.2	104.6	126.7	-48.2	0	0	0	0	118.6
194	F	21.7	Very low	23.1	Very low	204 Å²	204	134.3 Å²	134.3	90%	0.895	81%	0.807	S	S	*	*			trans	-56.5	128.7	160.4	-76.6	-93	0	0	0	111.8	S196	F194-S196 PolarHBondContact O-N 2.91Å
195	P	24.9	Very low	23.3	Very low	130 Å²	130	130.3 Å²	130.3	84%	0.844	80%	0.799	S	S	*	*			trans	-78.6	114.2	167.2	1.8	14.9	0	0	0	109.5
196	S	21.2	Very low	23.1	Very low	126 Å²	126	132.6 Å²	132.6	88%	0.881	80%	0.803	S	S	*	*			trans	-75.6	121.4	159.1	-60	0	0	0	0	108.5	F194	F194-S196 PolarHBondContact O-N 2.91Å
197	G	24	Very low	23.3	Very low	73 Å²	73	131.3 Å²	131.3	75%	0.753	80%	0.802	S	S	*	*			trans	-175.1	63.6	-178.6	0	0	0	0	0	111.8
198	I	21.8	Very low	23.2	Very low	168 Å²	168	132.5 Å²	132.5	86%	0.862	81%	0.805	S	S	*	*			trans	-81	112.5	167.6	-64.3	169.9	0	0	0	107.3
199	T	23.5	Very low	23	Very low	114 Å²	114	129.1 Å²	129.1	70%	0.699	80%	0.8	S	S	*	*			trans	-134.8	135.2	153.4	50.2	0	0	0	0	109.3
200	P	26.2	Very low	23	Very low	125 Å²	125	128.5 Å²	128.5	81%	0.812	80%	0.802	S	S	*	*			trans	-88.7	117.9	-164.6	33.7	-30.4	0	0	0	111.1
201	F	23.8	Very low	22.8	Very low	190 Å²	190	128.2 Å²	128.2	83%	0.833	80%	0.796	S	S	*	*			trans	-93.9	103.5	167.4	-92.3	-86.6	0	0	0	110.2
202	S	22.5	Very low	22.9	Very low	95 Å²	95	128.2 Å²	128.2	66%	0.664	80%	0.796	S	S	*	*			trans	24.6	125	131.8	47.8	0	0	0	0	119.5
203	S	21.1	Very low	22.7	Very low	117 Å²	117	129.8 Å²	129.8	82%	0.818	80%	0.797	S	S	*	*			trans	-43.4	139.9	174.1	-45.1	0	0	0	0	116.5
204	P	26.9	Very low	22.8	Very low	121 Å²	121	132.1 Å²	132.1	79%	0.786	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-80.9	161.7	161.8	-2.8	21.5	0	0	0	112
205	P	24.8	Very low	22.8	Very low	119 Å²	119	129.2 Å²	129.2	77%	0.773	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-87.4	154.5	-156.5	33.6	-34.2	0	0	0	114.7	T207	P205-T207 PolarHBondContact O-N 3.48Å
206	S	20.7	Very low	22.9	Very low	124 Å²	124	130.3 Å²	130.3	87%	0.867	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-51.6	118.7	169.4	-39.7	0	0	0	0	112.5
207	T	23.9	Very low	23	Very low	142 Å²	142	130.7 Å²	130.7	87%	0.871	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-100.1	121.9	157.1	-20.3	0	0	0	0	108.5	P205	P205-T207 PolarHBondContact O-N 3.48Å
208	T	21.4	Very low	23	Very low	118 Å²	118	133.4 Å²	133.4	72%	0.724	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-63.3	129.8	-174.5	-5.1	0	0	0	0	112.5
209	T	20.1	Very low	23	Very low	109 Å²	109	132.2 Å²	132.2	67%	0.669	78%	0.778	S	S	*	*			trans	38.1	106.7	136.1	53.6	0	0	0	0	118.7
210	T	22	Very low	23.1	Very low	142 Å²	142	134.8 Å²	134.8	87%	0.871	79%	0.787	S	S	*	*			trans	-128.7	93.8	131.9	18.3	0	0	0	0	108.7	T212	T210-T212 PolarHBondContact O-N 2.69Å
211	T	19.9	Very low	22.8	Very low	122 Å²	122	136 Å²	136	75%	0.748	79%	0.787	S	S	*	*			trans	-62.1	111.6	160.8	32.4	0	0	0	0	109.7
212	T	22.8	Very low	22.9	Very low	138 Å²	138	133.8 Å²	133.8	85%	0.847	78%	0.784	S	S	*	*			trans	-117.4	96.8	149.5	32	0	0	0	0	108.2	T210 N214	T210-T212 PolarHBondContact O-N 2.69Å; T212-N214 PolarHBondContact O-N 3.16Å
213	N	20.5	Very low	23	Very low	137 Å²	137	136.2 Å²	136.2	73%	0.733	79%	0.789	S	S	*	*			trans	-46.9	128.2	158.8	-87.6	-25.7	0	0	0	109.8
214	N	25.4	Very low	23.3	Very low	160 Å²	160	137.6 Å²	137.6	86%	0.856	79%	0.787	S	S	*	*			trans	-148.5	89.6	140.4	-99.6	-16.4	0	0	0	108.5	T212 N216	T212-N214 PolarHBondContact O-N 3.16Å; N214-N216 PolarHBondContact O-N 2.88Å
215	N	21.3	Very low	23.2	Very low	144 Å²	144	139 Å²	139	77%	0.77	79%	0.788	S	S	*	*			trans	-61.9	122.2	155.1	-82.4	-23.2	0	0	0	108.2
216	N	27	Very low	23.4	Very low	153 Å²	153	140.1 Å²	140.1	82%	0.818	79%	0.788	S	S	*	*			trans	-144.8	92.9	151.2	-100.4	-18.7	0	0	0	109.6	N214	N214-N216 PolarHBondContact O-N 2.88Å
217	N	23.4	Very low	23.8	Very low	133 Å²	133	139.7 Å²	139.7	71%	0.711	78%	0.78	S	S	*	*			trans	22.7	127.9	134.2	-74.9	-15	0	0	0	120.4
218	N	23.1	Very low	24	Very low	131 Å²	131	140.1 Å²	140.1	70%	0.701	78%	0.776	S	S	*	*				75.9	115.6	128.3	-69.8	-12	0	0	0	120.3
219	N	22.1	Very low	24.2	Very low	143 Å²	143	143.3 Å²	143.3	77%	0.765	78%	0.776	S	S	*	*				47.9	104.6	129.9	-68.1	-9.7	0	0	0	117.4
220	N	25.5	Very low	24.5	Very low	167 Å²	167	145 Å²	145	89%	0.893	78%	0.781	S	S	*	*			trans	-147.2	103	132.7	-94.4	-27.1	0	0	0	110
221	N	21.4	Very low	24.8	Very low	151 Å²	151	143 Å²	143	81%	0.807	77%	0.768	S	S	*	*			trans	-61.6	123.9	149.2	-81.7	-24	0	0	0	107.8
222	N	24.4	Very low	25.2	Very low	143 Å²	143	142.1 Å²	142.1	77%	0.765	76%	0.763	S	S	*	*			trans	170.4	127	130.2	-88	-18.8	0	0	0	111.5
223	N	25.4	Very low	25.8	Very low	146 Å²	146	141.6 Å²	141.6	78%	0.781	75%	0.754	S	S	*	*			trans	52.9	89.7	147	-65	-12	0	0	0	119.1
224	N	27.5	Very low	26.5	Very low	146 Å²	146	137.9 Å²	137.9	78%	0.781	73%	0.734	S	S	*	*			trans	-122.8	37.5	160.7	-94.4	-7.1	0	0	0	112.8	N226	N224-N226 VanDerWaalsContact C-N 3.31Å
225	N	25.2	Very low	27.7	Very low	150 Å²	150	131.6 Å²	131.6	80%	0.802	70%	0.702	S	S	*	*			trans	-85.8	7.3	172.1	-82.8	-0.4	0	0	0	114.1
226	N	28.1	Very low	28.8	Very low	144 Å²	144	126.5 Å²	126.5	77%	0.77	67%	0.671	S	S	*	*			trans	-104.4	11.8	-175.2	-88.7	4.4	0	0	0	115.9	N224	N224-N226 VanDerWaalsContact C-N 3.31Å
227	T	29.4	Very low	29.4	Very low	115 Å²	115	121.1 Å²	121.1	71%	0.706	65%	0.646	S	S	*	*	S	Bend	trans	-98	-0.7	-177.7	-11.9	0	0	0	0	115.1
228	I	28.7	Very low	30	Very low	151 Å²	151	123 Å²	123	77%	0.774	66%	0.656	S	S	*	*	S	Bend	trans	-91.5	-16.9	-177.1	-62.4	175.3	0	0	0	112.9	N230	I228-N230 PolarHBondContact O-N 3.42Å
229	Y	25.3	Very low	30.4	Very low	185 Å²	185	122 Å²	122	73%	0.725	65%	0.651	S	S	*	*	S	Bend	trans	-85	5.7	-173.6	-80.5	-74.7	0	0	0	116.3
230	N	25.3	Very low	31.1	Very low	144 Å²	144	119.7 Å²	119.7	77%	0.77	65%	0.646	S	S	*	*			trans	-113.2	56.5	-177.1	-75.6	-25.7	0	0	0	113.7	I228	I228-N230 PolarHBondContact O-N 3.42Å
231	T	30.1	Very low	31.4	Very low	100 Å²	100	119.7 Å²	119.7	61%	0.613	64%	0.64	S	S	*	*			trans	-144	57.9	158.9	-30.7	0	0	0	0	110.9	L233	T231-L233 VanDerWaalsContact C-N 3.33Å; T231-L233 HydrophobicContact CG2-CD1 4.16Å; T231-L233 HydrophobicContact CG2-CG 4.39Å; T231-L233 PolarHBondContact O-N 3.46Å; T231-L233 VanDerWaalsContact O-N 3.17Å
232	V	26.9	Very low	32	Very low	104 Å²	104	117.4 Å²	117.4	63%	0.63	63%	0.628	S	S	*	*			trans	-76.9	92.6	160.4	-178.5	0	0	0	0	105.9	D234	V232-D234 PolarHBondContact O-N 3.16Å
233	L	35.4	Very low	32.4	Very low	127 Å²	127	119.3 Å²	119.3	67%	0.665	63%	0.629	S	S	*	*			trans	-79.3	94.8	162.8	-86.6	155.1	0	0	0	106	T231 V235	T231-L233 VanDerWaalsContact C-N 3.33Å; T231-L233 HydrophobicContact CG2-CD1 4.16Å; T231-L233 HydrophobicContact CG2-CG 4.39Å; T231-L233 PolarHBondContact O-N 3.46Å; T231-L233 VanDerWaalsContact O-N 3.17Å; L233-V235 VanDerWaalsContact C-N 3.3Å; L233-V235 WeakPolarHBondContact O-CG2 3.29Å; L233-V235 PolarHBondContact O-N 2.87Å
234	D	36.7	Very low	32.4	Very low	59 Å²	59	121 Å²	121	32%	0.316	63%	0.63	S	S	.	*			trans	-68.8	94.1	164.6	-173.1	9.8	0	0	0	107.2	N57 V232 W236 S237	N57-D234 PolarHBondContact ND2-OD1 3.32Å; N57-D234 VanDerWaalsContact ND2-OD1 3.15Å; V232-D234 PolarHBondContact O-N 3.16Å; D234-W236 PolarHBondContact O-N 2.89Å; D234-S237 PolarHBondContact O-N 3.47Å; D234-S237 WeakPolarHBondContact OD2-CB 3.22Å; D234-S237 PolarHBondContact OD2-OG 3.28Å
235	V	50.4	Low	32.6	Very low	28 Å²	28	117.7 Å²	117.7	17%	0.17	62%	0.617	C	S	.	*	T	Hydrogen-bonded Turn	trans	-62.1	-18.5	-169.3	176.7	0	0	0	0	112.2	L233 L316	L233-V235 VanDerWaalsContact C-N 3.3Å; L233-V235 WeakPolarHBondContact O-CG2 3.29Å; L233-V235 PolarHBondContact O-N 2.87Å; V235-L316 HydrophobicContact CG1-CD1 4.38Å; V235-L316 HydrophobicContact CG1-CD2 3.34Å; V235-L316 HydrophobicContact CG1-CG 4.45Å
236	W	42.8	Very low	32.8	Very low	36 Å²	36	117.4 Å²	117.4	14%	0.136	62%	0.616	C	S	.	*	T	Hydrogen-bonded Turn	trans	-115.6	2.6	-176.8	-58.5	-40.6	0	0	0	114.5	E53 L56 N57 D234 D238 F320 M323	E53-W236 HydrophobicContact CB-CB 4.31Å; E53-W236 HydrophobicContact CB-CD2 3.99Å; E53-W236 HydrophobicContact CB-CE3 3.36Å; E53-W236 HydrophobicContact CB-CG 4.43Å; E53-W236 HydrophobicContact CB-CZ3 3.93Å; E53-W236 HydrophobicContact CG-CB 4.25Å; E53-W236 HydrophobicContact CG-CD2 3.61Å; E53-W236 HydrophobicContact CG-CE3 3.42Å; E53-W236 VanDerWaalsContact CG-CE3 3.42Å; E53-W236 HydrophobicContact CG-CG 4.02Å; E53-W236 HydrophobicContact CG-CZ3 3.92Å; E53-W236 WeakPolarHBondContact OE2-CB 3.16Å; L56-W236 HydrophobicContact CB-CH2 4.34Å; L56-W236 HydrophobicContact CB-CZ3 4.04Å; L56-W236 HydrophobicContact CD1-CH2 4.12Å; L56-W236 HydrophobicContact CD1-CZ3 4.37Å; N57-W236 VanDerWaalsContact ND2-CE3 3.3Å; N57-W236 VanDerWaalsContact OD1-CZ3 3.3Å; N57-W236 WeakPolarHBondContact OD1-CZ3 3.22Å; D234-W236 PolarHBondContact O-N 2.89Å; W236-D238 PolarHBondContact O-N 3.38Å; W236-F320 AromaticContact CH2-CD2 3.97Å; W236-F320 HydrophobicContact CH2-CD2 3.97Å; W236-F320 HydrophobicContact CZ2-CB 3.97Å; W236-F320 AromaticContact CZ2-CD2 3.83Å; W236-F320 HydrophobicContact CZ2-CD2 3.83Å; W236-F320 HydrophobicContact CZ2-CG 4.42Å; W236-M323 HydrophobicContact CH2-CG 4.42Å
237	S	40.3	Very low	33	Very low	40 Å²	40	118.5 Å²	118.5	28%	0.28	61%	0.614	S	S	.	*			trans	-77.2	121.3	173.4	-112.4	0	0	0	0	111.7	D234 N239	D234-S237 PolarHBondContact O-N 3.47Å; D234-S237 WeakPolarHBondContact OD2-CB 3.22Å; D234-S237 PolarHBondContact OD2-OG 3.28Å; S237-N239 PolarHBondContact O-N 3.14Å; S237-N239 PolarHBondContact OG-ND2 3.47Å
238	D	36.3	Very low	33.2	Very low	172 Å²	172	120.2 Å²	120.2	92%	0.92	62%	0.618	S	S	*	*			trans	-79.1	9.8	161.6	-86.6	-24.3	0	0	0	112.8	W236 S240	W236-D238 PolarHBondContact O-N 3.38Å; D238-S240 PolarHBondContact O-N 3.38Å
239	N	31.4	Very low	33.5	Very low	111 Å²	111	119 Å²	119	59%	0.594	62%	0.618	S	S	*	*			trans	-64.9	111.1	-179.1	-84.5	-41.8	0	0	0	111.8	S237 H241 D242	S237-N239 PolarHBondContact O-N 3.14Å; S237-N239 PolarHBondContact OG-ND2 3.47Å; N239-H241 PolarHBondContact O-N 3.26Å; N239-D242 PolarHBondContact O-N 3.02Å
240	S	35.7	Very low	34	Very low	95 Å²	95	115.1 Å²	115.1	66%	0.664	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-55.3	-13.6	176.8	61.6	0	0	0	0	115.3	D238	D238-S240 PolarHBondContact O-N 3.38Å
241	H	32.9	Very low	34.5	Very low	167 Å²	167	114.5 Å²	114.5	77%	0.773	61%	0.614	S	S	*	*	G	3₁₀ helix	trans	-82.6	-14.4	-178.6	-118.7	-80.5	0	0	0	114.8	N239 K243	N239-H241 PolarHBondContact O-N 3.26Å; H241-K243 VanDerWaalsContact C-N 3.3Å; H241-K243 PolarHBondContact O-N 3.48Å
242	D	34.5	Very low	34.7	Very low	103 Å²	103	117.3 Å²	117.3	55%	0.551	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-84.2	-0.2	174.3	-92.4	-20.3	0	0	0	113.9	N239 K244	N239-D242 PolarHBondContact O-N 3.02Å; D242-K244 PolarHBondContact O-N 3.35Å
243	K	31.5	Very low	35.6	Very low	182 Å²	182	115.7 Å²	115.7	79%	0.791	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	17	177.2	-71.4	-174	178.3	175.8	0	114.9	H241	H241-K243 VanDerWaalsContact C-N 3.3Å; H241-K243 PolarHBondContact O-N 3.48Å
244	K	26.7	Very low	36.6	Very low	183 Å²	183	115 Å²	115	80%	0.796	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119	39.7	176.1	-74.2	-174.3	179.9	174.9	0	113.6	D242 N246	D242-K244 PolarHBondContact O-N 3.35Å; K244-N246 PolarHBondContact O-N 3.43Å
245	C	31.7	Very low	38.7	Very low	76 Å²	76	112.9 Å²	112.9	51%	0.514	59%	0.593	S	S	.	*			trans	-84.5	87.8	153.6	-166.5	0	0	0	0	109.3	F247	C245-F247 PolarHBondContact O-N 2.96Å
246	N	28.9	Very low	40.4	Very low	144 Å²	144	112 Å²	112	77%	0.77	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	25.9	175.9	-92.3	-5	0	0	0	113.7	K244	K244-N246 PolarHBondContact O-N 3.43Å
247	F	33	Very low	42.7	Very low	167 Å²	167	112 Å²	112	73%	0.732	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.2	-2.8	179.9	-159.6	-101.5	0	0	0	114.5	C245	C245-F247 PolarHBondContact O-N 2.96Å
248	L	32.6	Very low	45	Very low	151 Å²	151	110.2 Å²	110.2	79%	0.791	58%	0.575	S	S	*	*	S	Bend	trans	-102.8	8.6	-177	-71.6	173.5	0	0	0	115.9
249	T	35.7	Very low	47.7	Very low	126 Å²	126	102.1 Å²	102.1	77%	0.773	53%	0.532	S	S	*	.	S	Bend	trans	-102.5	15	-172.8	40	0	0	0	0	117.1
250	S	35.9	Very low	50.4	Low	103 Å²	103	97 Å²	97	72%	0.72	51%	0.505	S	S	*	.			trans	-144.4	7.3	-178.9	63.8	0	0	0	0	119.7	K252	S250-K252 PolarHBondContact O-N 3.28Å
251	N	35.1	Very low	53	Low	130 Å²	130	93.9 Å²	93.9	70%	0.695	48%	0.483	S	S	*	.			trans	-91.5	97.5	171.3	-75.8	-16.7	0	0	0	110.9	M253	N251-M253 PolarHBondContact O-N 2.6Å
252	K	34.7	Very low	55.5	Low	160 Å²	160	88.2 Å²	88.2	70%	0.696	47%	0.47	S	S	*	.			trans	-54.7	118.7	160	-79.4	-176.8	172.9	-175.8	0	108.1	S250 D254	S250-K252 PolarHBondContact O-N 3.28Å; K252-D254 VanDerWaalsContact C-N 3.31Å; K252-D254 PolarHBondContact O-N 2.76Å
253	M	45.2	Very low	58.1	Low	70 Å²	70	85.9 Å²	85.9	35%	0.345	46%	0.455	S	S	.	.			trans	-83.9	74.1	-175	-66.9	-136.4	170.7	0	0	109.9	N251 Y257 T304	N251-M253 PolarHBondContact O-N 2.6Å; M253-Y257 WeakPolarHBondContact CB-OH 3.33Å; M253-Y257 VanDerWaalsContact CG-OH 3.31Å; M253-Y257 WeakPolarHBondContact CG-OH 3.33Å; M253-Y257 HydrophobicContact SD-CE1 4.13Å; M253-Y257 PolarHBondContact SD-OH 2.89Å; M253-T304 HydrophobicContact CE-CG2 3.71Å; M253-T304 HydrophobicContact SD-CG2 4.44Å
254	D	57.5	Low	60.9	Low	113 Å²	113	79.4 Å²	79.4	60%	0.604	43%	0.426	S	S	*	.			trans	-102.1	82.6	-176.4	-61.7	-24.2	0	0	0	109.4	K252	K252-D254 VanDerWaalsContact C-N 3.31Å; K252-D254 PolarHBondContact O-N 2.76Å
255	G	79.2	Confident	64	Low	13 Å²	13	70.9 Å²	70.9	13%	0.134	39%	0.389	C	S	.	.	S	Bend	trans	170.6	174.7	178.8	0	0	0	0	0	116.6	Y257 P267	G255-Y257 WeakPolarHBondContact O-CD2 3.4Å; G255-Y257 WeakPolarHBondContact O-CE2 3.49Å; G255-P267 WeakPolarHBondContact O-CD 3.38Å
256	L	87.9	Confident	66.8	Low	11 Å²	11	67.8 Å²	67.8	6%	0.058	37%	0.368	C	S	.	.			trans	-84.5	137.8	169.4	-59.5	177	0	0	0	110.5	I144 C150 P157 R264 F265 C266	I144-L256 HydrophobicContact CD1-CB 4.4Å; C150-L256 HydrophobicContact CB-CD2 3.95Å; P157-L256 HydrophobicContact CG-CD2 4.13Å; P157-L256 HydrophobicContact CG-CG 4.02Å; L256-R264 HydrophobicContact CB-CB 3.8Å; L256-R264 HydrophobicContact CD1-CB 4.45Å; L256-R264 PolarHBondContact O-NE 3.36Å; L256-R264 PolarHBondContact O-NH2 2.99Å; L256-F265 CarbonylContact C-O 3.55Å; L256-F265 WeakPolarHBondContact CA-O 3.45Å; L256-C266 HydrophobicContact CD2-CB 4.09Å
257	Y	89.1	Confident	69.8	Low	36 Å²	36	61.7 Å²	61.7	14%	0.141	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	140	-178.3	-73.7	-100.9	0	0	0	110.3	D117 M253 G255 R264 F265 P267 W270 F301	D117-Y257 HydrophobicContact CB-CD1 4.24Å; D117-Y257 WeakPolarHBondContact OD2-CA 3.4Å; M253-Y257 WeakPolarHBondContact CB-OH 3.33Å; M253-Y257 VanDerWaalsContact CG-OH 3.31Å; M253-Y257 WeakPolarHBondContact CG-OH 3.33Å; M253-Y257 HydrophobicContact SD-CE1 4.13Å; M253-Y257 PolarHBondContact SD-OH 2.89Å; G255-Y257 WeakPolarHBondContact O-CD2 3.4Å; G255-Y257 WeakPolarHBondContact O-CE2 3.49Å; Y257-R264 CarbonylContact O-C 3.6Å; Y257-R264 WeakPolarHBondContact O-CA 3.49Å; Y257-F265 PolarHBondContact N-O 2.74Å; Y257-F265 PolarHBondContact O-N 2.65Å; Y257-P267 HydrophobicContact CD2-CB 4.49Å; Y257-P267 HydrophobicContact CD2-CG 3.74Å; Y257-P267 HydrophobicContact CE2-CB 4.49Å; Y257-P267 HydrophobicContact CE2-CG 3.6Å; Y257-W270 PolarHBondContact O-NE1 3.42Å; Y257-F301 HydrophobicContact CD1-CE2 4.1Å; Y257-F301 HydrophobicContact CG-CE2 4.49Å
258	G	90.2	Very high	72.7	Confident	2 Å²	2	58.5 Å²	58.5	2%	0.021	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	159.4	-176.9	0	0	0	0	0	114.9	D117 H263	D117-G258 WeakPolarHBondContact CB-O 3.44Å; D117-G258 PolarHBondContact N-O 2.87Å; D117-G258 PolarHBondContact OD2-N 3.26Å; G258-H263 WeakPolarHBondContact CA-O 3.26Å
259	L	91.8	Very high	75.6	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.01	30%	0.295	C	S	.	.			trans	-94.4	178	175.7	-55.9	175.6	0	0	0	110.3	C261 G262 W270 C288 V295 V297 F301	L259-C261 PolarHBondContact O-N 3.03Å; L259-G262 PolarHBondContact O-N 2.88Å; L259-W270 HydrophobicContact CD1-CH2 3.88Å; L259-W270 HydrophobicContact CG-CH2 3.97Å; L259-W270 HydrophobicContact CG-CZ2 4.24Å; L259-C288 HydrophobicContact CD1-CB 3.88Å; L259-V295 HydrophobicContact CB-CG1 4.17Å; L259-V295 HydrophobicContact CD1-CG1 4.26Å; L259-V297 HydrophobicContact CD1-CG2 4.04Å; L259-F301 HydrophobicContact CD2-CD1 3.7Å; L259-F301 HydrophobicContact CD2-CD2 4.48Å; L259-F301 HydrophobicContact CD2-CE1 3.76Å; L259-F301 HydrophobicContact CD2-CG 4.05Å; L259-F301 HydrophobicContact CD2-CZ 4.19Å
260	S	89.3	Confident	78.5	Confident	4 Å²	4	46.2 Å²	46.2	3%	0.028	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-17.6	176.8	58.6	0	0	0	0	114.8	I105 P107 S114 S116 G262 V295	I105-S260 PolarHBondContact O-OG 3.17Å; P107-S260 WeakPolarHBondContact CD-O 3.47Å; P107-S260 WeakPolarHBondContact CG-O 3.25Å; S114-S260 WeakPolarHBondContact CB-O 3.47Å; S116-S260 PolarHBondContact OG-N 3.33Å; S260-G262 VanDerWaalsContact C-N 3.29Å; S260-G262 PolarHBondContact O-N 2.86Å; S260-V295 WeakPolarHBondContact OG-CG1 3.38Å
261	C	89.1	Confident	81.3	Confident	29 Å²	29	43.4 Å²	43.4	20%	0.196	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-11.7	174.2	60.5	0	0	0	0	114.7	L259 H263 C288 C293 V295	L259-C261 PolarHBondContact O-N 3.03Å; C261-H263 VanDerWaalsContact C-N 3.34Å; C261-H263 PolarHBondContact O-N 3.18Å; C261-H263 PolarHBondContact SG-ND1 3.46Å; C261-C288 VanDerWaalsContact SG-SG 3.62Å; C261-C293 VanDerWaalsContact SG-SG 3.69Å; C261-V295 HydrophobicContact CB-CB 4.09Å; C261-V295 HydrophobicContact CB-CG2 3.79Å
262	G	86.2	Confident	84.2	Confident	48 Å²	48	40.6 Å²	40.6	50%	0.495	22%	0.222	S	C	.	.			trans	87.3	-11.6	179.2	0	0	0	0	0	115.6	L259 S260 R264	L259-G262 PolarHBondContact O-N 2.88Å; S260-G262 VanDerWaalsContact C-N 3.29Å; S260-G262 PolarHBondContact O-N 2.86Å; G262-R264 WeakPolarHBondContact O-CG 3.34Å
263	H	88.9	Confident	87.2	Confident	54 Å²	54	35.4 Å²	35.4	25%	0.25	20%	0.199	C	C	.	.			trans	-68	131.4	172.1	-57.1	114.2	0	0	0	110.7	G258 C261 F265 S290	G258-H263 WeakPolarHBondContact CA-O 3.26Å; C261-H263 VanDerWaalsContact C-N 3.34Å; C261-H263 PolarHBondContact O-N 3.18Å; C261-H263 PolarHBondContact SG-ND1 3.46Å; H263-F265 HydrophobicContact CB-CE2 3.67Å; H263-F265 HydrophobicContact CB-CZ 3.88Å; H263-S290 PolarHBondContact CD2-OG 2.88Å; H263-S290 PolarHBondContact CE1-OG 2.81Å; H263-S290 PolarHBondContact NE2-OG 2.82Å; H263-S290 VanDerWaalsContact NE2-OG 3.08Å
264	R	89.5	Confident	89.7	Confident	45 Å²	45	32.1 Å²	32.1	17%	0.17	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	139.7	-178.5	-45	-169.7	79.1	155.8	7.9	112.2	D117 L256 Y257 G262	D117-R264 IonicContact OD1-NH2 3.52Å; D117-R264 PolarHBondContact OD1-NH2 3.14Å; D117-R264 IonicContact OD2-CZ 3.26Å; D117-R264 IonicContact OD2-NE 2.8Å; D117-R264 IonicContact OD2-NH2 3.97Å; D117-R264 PolarHBondContact OD2-NH2 2.87Å; L256-R264 HydrophobicContact CB-CB 3.8Å; L256-R264 HydrophobicContact CD1-CB 4.45Å; L256-R264 PolarHBondContact O-NE 3.36Å; L256-R264 PolarHBondContact O-NH2 2.99Å; Y257-R264 CarbonylContact O-C 3.6Å; Y257-R264 WeakPolarHBondContact O-CA 3.49Å; G262-R264 WeakPolarHBondContact O-CG 3.34Å
265	F	91.9	Very high	91.6	Very high	4 Å²	4	28.2 Å²	28.2	2%	0.018	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	158.2	-176.3	-50.3	-85.1	0	0	0	110.6	E151 I152 L256 Y257 H263 C269 W270 M289	E151-F265 HydrophobicContact CB-CD1 4.43Å; E151-F265 HydrophobicContact CB-CE1 4.11Å; I152-F265 HydrophobicContact CD1-CD1 3.83Å; I152-F265 HydrophobicContact CD1-CE1 3.99Å; I152-F265 HydrophobicContact CG1-CD1 3.8Å; I152-F265 HydrophobicContact CG1-CE1 3.92Å; L256-F265 CarbonylContact C-O 3.55Å; L256-F265 WeakPolarHBondContact CA-O 3.45Å; Y257-F265 PolarHBondContact N-O 2.74Å; Y257-F265 PolarHBondContact O-N 2.65Å; H263-F265 HydrophobicContact CB-CE2 3.67Å; H263-F265 HydrophobicContact CB-CZ 3.88Å; F265-C269 HydrophobicContact CB-CB 4.39Å; F265-W270 AromaticContact CD2-CE2 3.81Å; F265-W270 HydrophobicContact CD2-CH2 4.45Å; F265-W270 AromaticContact CD2-CZ2 3.65Å; F265-W270 HydrophobicContact CD2-CZ2 3.65Å; F265-W270 AromaticContact CD2-NE1 3.85Å; F265-W270 HydrophobicContact CE2-CZ2 4.2Å; F265-M289 HydrophobicContact CB-CE 3.97Å; F265-M289 HydrophobicContact CB-SD 3.72Å; F265-M289 HydrophobicContact CD1-CG 3.96Å; F265-M289 HydrophobicContact CD1-SD 3.49Å; F265-M289 WeakPolarHBondContact CD1-SD 3.4Å; F265-M289 HydrophobicContact CD2-CE 3.66Å; F265-M289 HydrophobicContact CD2-CG 3.51Å; F265-M289 HydrophobicContact CD2-SD 3.41Å; F265-M289 WeakPolarHBondContact CD2-SD 3.44Å; F265-M289 HydrophobicContact CE1-CG 3.73Å; F265-M289 HydrophobicContact CE1-SD 3.9Å; F265-M289 HydrophobicContact CE2-CE 4.34Å; F265-M289 HydrophobicContact CE2-CG 3.26Å; F265-M289 HydrophobicContact CE2-SD 3.84Å; F265-M289 HydrophobicContact CG-CE 3.85Å; F265-M289 HydrophobicContact CG-CG 3.86Å; F265-M289 HydrophobicContact CG-SD 3.22Å; F265-M289 WeakPolarHBondContact CG-SD 3.37Å; F265-M289 HydrophobicContact CZ-CG 3.37Å; F265-M289 HydrophobicContact CZ-SD 4.06Å
266	C	91.7	Very high	92.5	Very high	11 Å²	11	31.7 Å²	31.7	7%	0.074	18%	0.178	C	C	.	.			trans	-66.8	157.7	177.2	73.6	0	0	0	0	111	C150 C153 L256 D268 C269 W270	C150-C266 HydrophobicContact CB-CB 3.86Å; C150-C266 PolarHBondContact SG-N 3.12Å; C153-C266 PolarHBondContact SG-SG 3.02Å; L256-C266 HydrophobicContact CD2-CB 4.09Å; C266-D268 PolarHBondContact O-N 3.4Å; C266-C269 PolarHBondContact O-N 2.93Å; C266-C269 PolarHBondContact SG-N 3.08Å; C266-C269 PolarHBondContact SG-SG 2.86Å; C266-W270 PolarHBondContact O-N 2.97Å; C266-W270 VanDerWaalsContact O-N 3.12Å
267	P	91.6	Very high	92.9	Very high	16 Å²	16	33.9 Å²	33.9	10%	0.104	19%	0.187	C	C	.	.	H	α-helix	trans	-57.8	-32.5	-179.8	-24.2	34	0	0	0	113.3	G255 Y257 R271	G255-P267 WeakPolarHBondContact O-CD 3.38Å; Y257-P267 HydrophobicContact CD2-CB 4.49Å; Y257-P267 HydrophobicContact CD2-CG 3.74Å; Y257-P267 HydrophobicContact CE2-CB 4.49Å; Y257-P267 HydrophobicContact CE2-CG 3.6Å; P267-R271 WeakPolarHBondContact O-CB 3.46Å; P267-R271 VanDerWaalsContact O-CG 3.22Å; P267-R271 WeakPolarHBondContact O-CG 3.43Å; P267-R271 PolarHBondContact O-N 3.49Å
268	D	92.7	Very high	93.4	Very high	101 Å²	101	32.2 Å²	32.2	54%	0.54	18%	0.18	S	C	.	.	H	α-helix	trans	-75.8	-39.9	-176.8	-59	-35.9	0	0	0	111.7	C266 W270 R271 S272	C266-D268 PolarHBondContact O-N 3.4Å; D268-W270 PolarHBondContact O-N 3.5Å; D268-R271 PolarHBondContact O-N 2.78Å; D268-R271 IonicContact OD1-CZ 3.5Å; D268-R271 IonicContact OD1-NH1 2.74Å; D268-R271 PolarHBondContact OD1-NH1 3.42Å; D268-S272 PolarHBondContact O-N 2.76Å; D268-S272 PolarHBondContact O-OG 3.05Å; D268-S272 VanDerWaalsContact O-OG 3.12Å
269	C	95.1	Very high	93.7	Very high	19 Å²	19	37.5 Å²	37.5	13%	0.128	20%	0.204	C	C	.	.	H	α-helix	trans	-61.7	-43.2	170.9	-74.6	0	0	0	0	111.8	F265 C266 S272 Y273	F265-C269 HydrophobicContact CB-CB 4.39Å; C266-C269 PolarHBondContact O-N 2.93Å; C266-C269 PolarHBondContact SG-N 3.08Å; C266-C269 PolarHBondContact SG-SG 2.86Å; C269-S272 PolarHBondContact O-N 2.88Å; C269-Y273 VanDerWaalsContact O-CB 3.25Å; C269-Y273 WeakPolarHBondContact O-CB 3.45Å; C269-Y273 PolarHBondContact O-N 2.77Å
270	W	95.4	Very high	93.9	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-58.1	-48.8	172.7	-87.3	112.9	0	0	0	112	Y257 L259 F265 C266 D268 S272 Y273 L274 M289 V297 F301 L305	Y257-W270 PolarHBondContact O-NE1 3.42Å; L259-W270 HydrophobicContact CD1-CH2 3.88Å; L259-W270 HydrophobicContact CG-CH2 3.97Å; L259-W270 HydrophobicContact CG-CZ2 4.24Å; F265-W270 AromaticContact CD2-CE2 3.81Å; F265-W270 HydrophobicContact CD2-CH2 4.45Å; F265-W270 AromaticContact CD2-CZ2 3.65Å; F265-W270 HydrophobicContact CD2-CZ2 3.65Å; F265-W270 AromaticContact CD2-NE1 3.85Å; F265-W270 HydrophobicContact CE2-CZ2 4.2Å; C266-W270 PolarHBondContact O-N 2.97Å; C266-W270 VanDerWaalsContact O-N 3.12Å; D268-W270 PolarHBondContact O-N 3.5Å; W270-S272 PolarHBondContact O-N 2.73Å; W270-Y273 HydrophobicContact CE3-CD1 4.37Å; W270-Y273 HydrophobicContact CZ3-CD1 4.3Å; W270-Y273 PolarHBondContact O-N 3.31Å; W270-L274 HydrophobicContact CE3-CD1 4.42Å; W270-L274 HydrophobicContact CE3-CG 4.34Å; W270-L274 WeakPolarHBondContact O-CB 3.41Å; W270-L274 WeakPolarHBondContact O-CG 3.41Å; W270-L274 PolarHBondContact O-N 2.9Å; W270-M289 HydrophobicContact CB-CE 4.2Å; W270-M289 HydrophobicContact CD2-CE 3.04Å; W270-M289 HydrophobicContact CE3-CE 3.08Å; W270-M289 HydrophobicContact CG-CE 3.57Å; W270-M289 HydrophobicContact CH2-CE 3.74Å; W270-M289 HydrophobicContact CZ2-CE 3.74Å; W270-M289 HydrophobicContact CZ3-CE 3.42Å; W270-M289 VanDerWaalsContact CZ3-CE 3.42Å; W270-V297 HydrophobicContact CH2-CG2 4.39Å; W270-V297 HydrophobicContact CZ3-CG2 3.91Å; W270-F301 AromaticContact CD2-CE1 3.88Å; W270-F301 HydrophobicContact CD2-CE1 3.88Å; W270-F301 AromaticContact CD2-CZ 3.99Å; W270-F301 HydrophobicContact CD2-CZ 3.99Å; W270-F301 AromaticContact CE2-CE1 3.92Å; W270-F301 AromaticContact CE2-CZ 3.69Å; W270-F301 AromaticContact CE3-CE1 3.92Å; W270-F301 HydrophobicContact CE3-CE1 3.92Å; W270-F301 HydrophobicContact CE3-CZ 4.48Å; W270-F301 HydrophobicContact CG-CZ 4.45Å; W270-F301 HydrophobicContact CH2-CE1 4.1Å; W270-F301 HydrophobicContact CZ2-CE1 4.03Å; W270-F301 AromaticContact CZ2-CZ 3.97Å; W270-F301 HydrophobicContact CZ2-CZ 3.97Å; W270-F301 HydrophobicContact CZ3-CE1 4.05Å; W270-F301 AromaticContact NE1-CZ 3.91Å; W270-L305 HydrophobicContact CB-CD1 3.81Å; W270-L305 HydrophobicContact CB-CD2 4.16Å; W270-L305 HydrophobicContact CD2-CD1 4.18Å; W270-L305 HydrophobicContact CG-CD1 3.89Å
271	R	95.8	Very high	94.3	Very high	44 Å²	44	44 Å²	44	17%	0.166	24%	0.239	C	C	.	.	H	α-helix	trans	-59.9	-47.8	179.9	-77.3	170.4	-166	127.4	14.9	112.1	P267 D268 T275 L305 K307	P267-R271 WeakPolarHBondContact O-CB 3.46Å; P267-R271 VanDerWaalsContact O-CG 3.22Å; P267-R271 WeakPolarHBondContact O-CG 3.43Å; P267-R271 PolarHBondContact O-N 3.49Å; D268-R271 PolarHBondContact O-N 2.78Å; D268-R271 IonicContact OD1-CZ 3.5Å; D268-R271 IonicContact OD1-NH1 2.74Å; D268-R271 PolarHBondContact OD1-NH1 3.42Å; R271-T275 VanDerWaalsContact O-CB 3.26Å; R271-T275 WeakPolarHBondContact O-CB 3.4Å; R271-T275 PolarHBondContact O-N 3.45Å; R271-T275 PolarHBondContact O-OG1 3.09Å; R271-L305 VanDerWaalsContact CG-O 3.32Å; R271-L305 WeakPolarHBondContact CG-O 3.41Å; R271-L305 PolarHBondContact NE-O 3.24Å; R271-K307 VanDerWaalsContact NH2-NZ 3.13Å
272	S	95.8	Very high	94.6	Very high	70 Å²	70	43.6 Å²	43.6	49%	0.49	24%	0.237	S	C	.	.	H	α-helix	trans	-61.9	-47.4	178.6	-61.3	0	0	0	0	111.1	D268 C269 W270 T275 I276	D268-S272 PolarHBondContact O-N 2.76Å; D268-S272 PolarHBondContact O-OG 3.05Å; D268-S272 VanDerWaalsContact O-OG 3.12Å; C269-S272 PolarHBondContact O-N 2.88Å; W270-S272 PolarHBondContact O-N 2.73Å; S272-T275 PolarHBondContact O-N 3.45Å; S272-I276 VanDerWaalsContact O-CG1 3.29Å; S272-I276 WeakPolarHBondContact O-CG1 3.35Å; S272-I276 PolarHBondContact O-N 3.11Å
273	Y	97.1	Very high	95	Very high	52 Å²	52	41.3 Å²	41.3	20%	0.204	21%	0.213	C	C	.	.	H	α-helix	trans	-59.3	-49.6	177.8	173.9	-103.7	0	0	0	112.5	C269 W270 I276 K277 I286 K287 M289	C269-Y273 VanDerWaalsContact O-CB 3.25Å; C269-Y273 WeakPolarHBondContact O-CB 3.45Å; C269-Y273 PolarHBondContact O-N 2.77Å; W270-Y273 HydrophobicContact CE3-CD1 4.37Å; W270-Y273 HydrophobicContact CZ3-CD1 4.3Å; W270-Y273 PolarHBondContact O-N 3.31Å; Y273-I276 PolarHBondContact O-N 2.88Å; Y273-K277 HydrophobicContact CD2-CG 4.31Å; Y273-K277 HydrophobicContact CE1-CG 4.12Å; Y273-K277 HydrophobicContact CE2-CD 4.34Å; Y273-K277 HydrophobicContact CE2-CG 3.89Å; Y273-K277 WeakPolarHBondContact O-CB 3.35Å; Y273-K277 VanDerWaalsContact O-CG 3.32Å; Y273-K277 WeakPolarHBondContact O-CG 3.35Å; Y273-K277 PolarHBondContact O-N 3.29Å; Y273-I286 HydrophobicContact CE1-CG2 3.79Å; Y273-K287 WeakPolarHBondContact CE1-O 3.22Å; Y273-K287 PolarHBondContact OH-O 3.45Å; Y273-M289 HydrophobicContact CD1-CB 4.02Å; Y273-M289 HydrophobicContact CD1-CE 4.24Å; Y273-M289 HydrophobicContact CD2-CB 3.86Å; Y273-M289 HydrophobicContact CE1-CB 4.07Å; Y273-M289 HydrophobicContact CE2-CB 3.9Å; Y273-M289 HydrophobicContact CG-CB 3.91Å; Y273-M289 HydrophobicContact CG-CE 4.35Å
274	L	97.7	Very high	95.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-64.4	-42.3	-179.8	-67.3	172.9	0	0	0	111.3	W270 K277 I278 I286 V297 L302 L305 L306	W270-L274 HydrophobicContact CE3-CD1 4.42Å; W270-L274 HydrophobicContact CE3-CG 4.34Å; W270-L274 WeakPolarHBondContact O-CB 3.41Å; W270-L274 WeakPolarHBondContact O-CG 3.41Å; W270-L274 PolarHBondContact O-N 2.9Å; L274-K277 PolarHBondContact O-N 2.88Å; L274-I278 HydrophobicContact CB-CD1 4.41Å; L274-I278 WeakPolarHBondContact O-CB 3.42Å; L274-I278 VanDerWaalsContact O-CD1 3.28Å; L274-I278 WeakPolarHBondContact O-CD1 3.49Å; L274-I278 WeakPolarHBondContact O-CG1 3.11Å; L274-I278 PolarHBondContact O-N 2.85Å; L274-I286 HydrophobicContact CD2-CG2 3.97Å; L274-V297 HydrophobicContact CD2-CG1 4.19Å; L274-V297 HydrophobicContact CD2-CG2 4.47Å; L274-L302 HydrophobicContact CD1-CG 4.17Å; L274-L302 HydrophobicContact CD2-CD1 3.94Å; L274-L302 HydrophobicContact CD2-CG 4.1Å; L274-L305 HydrophobicContact CD1-CB 3.92Å; L274-L305 HydrophobicContact CD1-CD1 3.95Å; L274-L306 HydrophobicContact CB-CD2 4.13Å
275	T	97.5	Very high	95.5	Very high	32 Å²	32	40.9 Å²	40.9	20%	0.196	21%	0.214	C	C	.	.	H	α-helix	trans	-59.4	-50.1	178.2	-58.7	0	0	0	0	110.6	R271 S272 K277 I278 E279 V311	R271-T275 VanDerWaalsContact O-CB 3.26Å; R271-T275 WeakPolarHBondContact O-CB 3.4Å; R271-T275 PolarHBondContact O-N 3.45Å; R271-T275 PolarHBondContact O-OG1 3.09Å; S272-T275 PolarHBondContact O-N 3.45Å; T275-K277 PolarHBondContact O-N 3.47Å; T275-I278 PolarHBondContact O-N 2.9Å; T275-E279 HydrophobicContact CG2-CG 4.35Å; T275-E279 WeakPolarHBondContact CG2-OE1 3.42Å; T275-E279 WeakPolarHBondContact O-CB 3.24Å; T275-E279 VanDerWaalsContact O-CG 3.26Å; T275-E279 WeakPolarHBondContact O-CG 3.41Å; T275-E279 PolarHBondContact O-N 3.4Å; T275-V311 HydrophobicContact CG2-CG1 4.32Å; T275-V311 HydrophobicContact CG2-CG2 4.03Å
276	I	97.5	Very high	95.8	Very high	86 Å²	86	40.9 Å²	40.9	44%	0.441	21%	0.214	S	C	.	.	H	α-helix	trans	-58.1	-48.1	177.1	-67	164.6	0	0	0	110.6	S272 Y273 I278 E279 E280	S272-I276 VanDerWaalsContact O-CG1 3.29Å; S272-I276 WeakPolarHBondContact O-CG1 3.35Å; S272-I276 PolarHBondContact O-N 3.11Å; Y273-I276 PolarHBondContact O-N 2.88Å; I276-I278 PolarHBondContact O-N 3.24Å; I276-E279 PolarHBondContact O-N 2.87Å; I276-E280 HydrophobicContact CG2-CG 4.46Å; I276-E280 WeakPolarHBondContact O-CB 3.37Å; I276-E280 VanDerWaalsContact O-CG 3.31Å; I276-E280 WeakPolarHBondContact O-CG 3.37Å; I276-E280 PolarHBondContact O-N 3.31Å
277	K	97.8	Very high	96.1	Very high	57 Å²	57	44.3 Å²	44.3	25%	0.248	23%	0.228	C	C	.	.	H	α-helix	trans	-62.2	-41	-178.8	-73.7	-73.5	153.3	-140.2	0	113	Y273 L274 T275 E280 G281 S282 I286	Y273-K277 HydrophobicContact CD2-CG 4.31Å; Y273-K277 HydrophobicContact CE1-CG 4.12Å; Y273-K277 HydrophobicContact CE2-CD 4.34Å; Y273-K277 HydrophobicContact CE2-CG 3.89Å; Y273-K277 WeakPolarHBondContact O-CB 3.35Å; Y273-K277 VanDerWaalsContact O-CG 3.32Å; Y273-K277 WeakPolarHBondContact O-CG 3.35Å; Y273-K277 PolarHBondContact O-N 3.29Å; L274-K277 PolarHBondContact O-N 2.88Å; T275-K277 PolarHBondContact O-N 3.47Å; K277-E280 IonicContact NZ-OE2 3.65Å; K277-E280 PolarHBondContact NZ-OE2 3.49Å; K277-E280 PolarHBondContact O-N 2.92Å; K277-G281 PolarHBondContact O-N 3.02Å; K277-S282 WeakPolarHBondContact O-CB 3.49Å; K277-S282 PolarHBondContact O-N 3.4Å; K277-S282 PolarHBondContact O-OG 3.32Å; K277-I286 HydrophobicContact CB-CD1 3.96Å; K277-I286 HydrophobicContact CB-CG1 4.1Å; K277-I286 HydrophobicContact CB-CG2 4.49Å; K277-I286 HydrophobicContact CG-CG2 4.47Å
278	I	98.1	Very high	96.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-69.6	-38.8	177	-68.2	159.8	0	0	0	110.2	L274 T275 I276 E280 G281 I286 L302 L306 V311 K314 Y315 L318	L274-I278 HydrophobicContact CB-CD1 4.41Å; L274-I278 WeakPolarHBondContact O-CB 3.42Å; L274-I278 VanDerWaalsContact O-CD1 3.28Å; L274-I278 WeakPolarHBondContact O-CD1 3.49Å; L274-I278 WeakPolarHBondContact O-CG1 3.11Å; L274-I278 PolarHBondContact O-N 2.85Å; T275-I278 PolarHBondContact O-N 2.9Å; I276-I278 PolarHBondContact O-N 3.24Å; I278-E280 VanDerWaalsContact C-N 3.3Å; I278-E280 PolarHBondContact O-N 3.48Å; I278-G281 PolarHBondContact O-N 2.97Å; I278-I286 HydrophobicContact CG1-CD1 4.08Å; I278-L302 HydrophobicContact CD1-CD2 4.45Å; I278-L306 HydrophobicContact CD1-CD1 3.69Å; I278-L306 HydrophobicContact CD1-CD2 3.8Å; I278-L306 HydrophobicContact CD1-CG 4.33Å; I278-V311 HydrophobicContact CB-CG1 4.33Å; I278-V311 HydrophobicContact CD1-CG1 3.98Å; I278-V311 HydrophobicContact CG2-CG1 4.11Å; I278-K314 HydrophobicContact CG2-CB 4.2Å; I278-K314 HydrophobicContact CG2-CD 4.27Å; I278-K314 HydrophobicContact CG2-CG 4Å; I278-K314 VanDerWaalsContact O-CE 3.22Å; I278-K314 WeakPolarHBondContact O-CE 3.15Å; I278-Y315 HydrophobicContact CD1-CD2 4.15Å; I278-Y315 HydrophobicContact CD1-CG 4.32Å; I278-Y315 HydrophobicContact CG1-CD2 4.1Å; I278-L318 HydrophobicContact CG2-CD1 4.21Å
279	E	96.9	Very high	96.4	Very high	113 Å²	113	40.1 Å²	40.1	53%	0.528	20%	0.204	S	C	.	.	H	α-helix	trans	-62.2	-39.6	176.4	-77.6	174.5	173.1	0	0	111.9	T275 I276 G281 K314	T275-E279 HydrophobicContact CG2-CG 4.35Å; T275-E279 WeakPolarHBondContact CG2-OE1 3.42Å; T275-E279 WeakPolarHBondContact O-CB 3.24Å; T275-E279 VanDerWaalsContact O-CG 3.26Å; T275-E279 WeakPolarHBondContact O-CG 3.41Å; T275-E279 PolarHBondContact O-N 3.4Å; I276-E279 PolarHBondContact O-N 2.87Å; E279-G281 PolarHBondContact O-N 3.03Å; E279-K314 PolarHBondContact O-NZ 2.97Å
280	E	97	Very high	96.2	Very high	123 Å²	123	40.5 Å²	40.5	58%	0.575	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-5.4	170.6	-69.9	172.2	170.4	0	0	114.2	I276 K277 I278	I276-E280 HydrophobicContact CG2-CG 4.46Å; I276-E280 WeakPolarHBondContact O-CB 3.37Å; I276-E280 VanDerWaalsContact O-CG 3.31Å; I276-E280 WeakPolarHBondContact O-CG 3.37Å; I276-E280 PolarHBondContact O-N 3.31Å; K277-E280 IonicContact NZ-OE2 3.65Å; K277-E280 PolarHBondContact NZ-OE2 3.49Å; K277-E280 PolarHBondContact O-N 2.92Å; I278-E280 VanDerWaalsContact C-N 3.3Å; I278-E280 PolarHBondContact O-N 3.48Å
281	G	96.6	Very high	96.1	Very high	19 Å²	19	47.5 Å²	47.5	20%	0.196	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.2	11.6	176.8	0	0	0	0	0	115.5	K277 I278 E279 R322	K277-G281 PolarHBondContact O-N 3.02Å; I278-G281 PolarHBondContact O-N 2.97Å; E279-G281 PolarHBondContact O-N 3.03Å; G281-R322 PolarHBondContact O-NH2 3.37Å
282	S	95.4	Very high	95.8	Very high	22 Å²	22	48.9 Å²	48.9	15%	0.154	28%	0.277	C	S	.	.			trans	-81.9	146.4	175.6	-55.7	0	0	0	0	112	K277 E285	K277-S282 WeakPolarHBondContact O-CB 3.49Å; K277-S282 PolarHBondContact O-N 3.4Å; K277-S282 PolarHBondContact O-OG 3.32Å; S282-E285 WeakPolarHBondContact CA-OE1 3.23Å
283	S	94.9	Very high	95.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.26	C	S	.	.	S	Bend	trans	-134.4	-87.2	173.4	55.3	0	0	0	0	111.6	E285 I286 R322	S283-E285 VanDerWaalsContact C-N 3.3Å; S283-E285 PolarHBondContact N-OE2 2.85Å; S283-E285 PolarHBondContact O-N 2.92Å; S283-E285 PolarHBondContact OG-OE2 3.38Å; S283-I286 WeakPolarHBondContact O-CD1 3.43Å; S283-I286 VanDerWaalsContact O-CG1 3.27Å; S283-I286 WeakPolarHBondContact O-CG1 3.44Å; S283-R322 VanDerWaalsContact OG-CG 3.24Å; S283-R322 WeakPolarHBondContact OG-CG 3.36Å
284	I	94.4	Very high	95.6	Very high	21 Å²	21	47.9 Å²	47.9	11%	0.108	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-20.3	-174.9	-162.8	159.7	0	0	0	113.7	L76 H79 I286 R322 M323	L76-I284 HydrophobicContact CB-CD1 4.35Å; L76-I284 HydrophobicContact CD1-CD1 3.58Å; L76-I284 HydrophobicContact CD1-CG1 3.49Å; L76-I284 VanDerWaalsContact CD1-CG1 3.49Å; H79-I284 HydrophobicContact CB-CD1 3.91Å; I284-I286 VanDerWaalsContact C-N 3.32Å; I284-R322 HydrophobicContact CG2-CB 4.5Å; I284-M323 HydrophobicContact CD1-CE 3.66Å
285	E	95.3	Very high	95.4	Very high	69 Å²	69	48.2 Å²	48.2	32%	0.322	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-3.3	-178.9	67.1	-91.4	-131.5	0	0	113.9	S282 S283 K287 R322	S282-E285 WeakPolarHBondContact CA-OE1 3.23Å; S283-E285 VanDerWaalsContact C-N 3.3Å; S283-E285 PolarHBondContact N-OE2 2.85Å; S283-E285 PolarHBondContact O-N 2.92Å; S283-E285 PolarHBondContact OG-OE2 3.38Å; E285-K287 PolarHBondContact O-N 2.91Å; E285-R322 VanDerWaalsContact CD-NH1 3.34Å; E285-R322 IonicContact OE1-CZ 3.49Å; E285-R322 VanDerWaalsContact OE1-CZ 3.24Å; E285-R322 IonicContact OE1-NH1 2.73Å; E285-R322 PolarHBondContact OE1-NH1 2.9Å; E285-R322 IonicContact OE1-NH2 3.58Å; E285-R322 PolarHBondContact OE1-NH2 3.47Å; E285-R322 IonicContact OE2-CZ 3.59Å; E285-R322 IonicContact OE2-NH1 3.49Å; E285-R322 PolarHBondContact OE2-NH1 2.9Å
286	I	97.9	Very high	95.4	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.015	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-65.2	123.9	-177.3	-60.9	173.5	0	0	0	109.3	Y273 L274 K277 I278 S283 I284 L296 V297 L302	Y273-I286 HydrophobicContact CE1-CG2 3.79Å; L274-I286 HydrophobicContact CD2-CG2 3.97Å; K277-I286 HydrophobicContact CB-CD1 3.96Å; K277-I286 HydrophobicContact CB-CG1 4.1Å; K277-I286 HydrophobicContact CB-CG2 4.49Å; K277-I286 HydrophobicContact CG-CG2 4.47Å; I278-I286 HydrophobicContact CG1-CD1 4.08Å; S283-I286 WeakPolarHBondContact O-CD1 3.43Å; S283-I286 VanDerWaalsContact O-CG1 3.27Å; S283-I286 WeakPolarHBondContact O-CG1 3.44Å; I284-I286 VanDerWaalsContact C-N 3.32Å; I286-L296 WeakPolarHBondContact O-CA 3.34Å; I286-V297 HydrophobicContact CB-CB 4.48Å; I286-V297 HydrophobicContact CB-CG2 4.42Å; I286-V297 HydrophobicContact CG2-CB 4.17Å; I286-V297 HydrophobicContact CG2-CG2 3.69Å; I286-V297 PolarHBondContact O-N 3.42Å; I286-L302 HydrophobicContact CD1-CD1 3.98Å
287	K	97	Very high	95.4	Very high	84 Å²	84	43.6 Å²	43.6	37%	0.365	25%	0.248	S	C	.	.	B	Isolated β-bridge	trans	-99.8	169.3	-179.8	-66.5	171.2	-179.9	-171.7	0	111.1	Y273 E285 M289 N294 V295 L296 V297	Y273-K287 WeakPolarHBondContact CE1-O 3.22Å; Y273-K287 PolarHBondContact OH-O 3.45Å; E285-K287 PolarHBondContact O-N 2.91Å; K287-M289 PolarHBondContact O-N 3.33Å; K287-N294 PolarHBondContact NZ-OD1 3.1Å; K287-V295 CarbonylContact C-O 3.57Å; K287-V295 WeakPolarHBondContact CA-O 3.48Å; K287-L296 HydrophobicContact CG-CD2 4.01Å; K287-V297 WeakPolarHBondContact O-CG2 3.21Å
288	C	95.7	Very high	95.3	Very high	5 Å²	5	41.2 Å²	41.2	3%	0.034	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-50.8	138.8	165.1	-176.1	0	0	0	0	110.6	L259 C261 S290 C293 V295	L259-C288 HydrophobicContact CD1-CB 3.88Å; C261-C288 VanDerWaalsContact SG-SG 3.62Å; C288-S290 PolarHBondContact O-N 3.14Å; C288-C293 HydrophobicContact CB-CB 3.8Å; C288-C293 WeakPolarHBondContact CB-SG 3.46Å; C288-V295 PolarHBondContact N-O 3.12Å
289	M	95.1	Very high	95.2	Very high	24 Å²	24	42 Å²	42	12%	0.118	24%	0.242	C	C	.	.	S	Bend	trans	-70.3	-11.1	179.7	70.2	-175.5	76.6	0	0	114.2	I152 F265 W270 Y273 K287	I152-M289 HydrophobicContact CD1-CG 3.85Å; I152-M289 HydrophobicContact CD1-SD 3.18Å; I152-M289 WeakPolarHBondContact CD1-SD 3.44Å; I152-M289 HydrophobicContact CG1-SD 4.41Å; F265-M289 HydrophobicContact CB-CE 3.97Å; F265-M289 HydrophobicContact CB-SD 3.72Å; F265-M289 HydrophobicContact CD1-CG 3.96Å; F265-M289 HydrophobicContact CD1-SD 3.49Å; F265-M289 WeakPolarHBondContact CD1-SD 3.4Å; F265-M289 HydrophobicContact CD2-CE 3.66Å; F265-M289 HydrophobicContact CD2-CG 3.51Å; F265-M289 HydrophobicContact CD2-SD 3.41Å; F265-M289 WeakPolarHBondContact CD2-SD 3.44Å; F265-M289 HydrophobicContact CE1-CG 3.73Å; F265-M289 HydrophobicContact CE1-SD 3.9Å; F265-M289 HydrophobicContact CE2-CE 4.34Å; F265-M289 HydrophobicContact CE2-CG 3.26Å; F265-M289 HydrophobicContact CE2-SD 3.84Å; F265-M289 HydrophobicContact CG-CE 3.85Å; F265-M289 HydrophobicContact CG-CG 3.86Å; F265-M289 HydrophobicContact CG-SD 3.22Å; F265-M289 WeakPolarHBondContact CG-SD 3.37Å; F265-M289 HydrophobicContact CZ-CG 3.37Å; F265-M289 HydrophobicContact CZ-SD 4.06Å; W270-M289 HydrophobicContact CB-CE 4.2Å; W270-M289 HydrophobicContact CD2-CE 3.04Å; W270-M289 HydrophobicContact CE3-CE 3.08Å; W270-M289 HydrophobicContact CG-CE 3.57Å; W270-M289 HydrophobicContact CH2-CE 3.74Å; W270-M289 HydrophobicContact CZ2-CE 3.74Å; W270-M289 HydrophobicContact CZ3-CE 3.42Å; W270-M289 VanDerWaalsContact CZ3-CE 3.42Å; Y273-M289 HydrophobicContact CD1-CB 4.02Å; Y273-M289 HydrophobicContact CD1-CE 4.24Å; Y273-M289 HydrophobicContact CD2-CB 3.86Å; Y273-M289 HydrophobicContact CE1-CB 4.07Å; Y273-M289 HydrophobicContact CE2-CB 3.9Å; Y273-M289 HydrophobicContact CG-CB 3.91Å; Y273-M289 HydrophobicContact CG-CE 4.35Å; K287-M289 PolarHBondContact O-N 3.33Å
290	S	92.4	Very high	95	Very high	26 Å²	26	38.1 Å²	38.1	18%	0.182	23%	0.225	C	C	.	.	S	Bend	trans	-67.6	134.3	173.6	-176.7	0	0	0	0	110.8	H263 C288 G292 C293	H263-S290 PolarHBondContact CD2-OG 2.88Å; H263-S290 PolarHBondContact CE1-OG 2.81Å; H263-S290 PolarHBondContact NE2-OG 2.82Å; H263-S290 VanDerWaalsContact NE2-OG 3.08Å; C288-S290 PolarHBondContact O-N 3.14Å; S290-G292 PolarHBondContact O-N 2.56Å; S290-C293 WeakPolarHBondContact O-CB 3.5Å; S290-C293 PolarHBondContact O-N 2.86Å; S290-C293 VanDerWaalsContact O-N 3.14Å
291	V	91.4	Very high	95	Very high	148 Å²	148	32.4 Å²	32.4	90%	0.897	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	129.8	-178	-179.5	0	0	0	0	110.5	C293	V291-C293 PolarHBondContact O-N 3.38Å
292	G	91.3	Very high	94.9	Very high	72 Å²	72	31.5 Å²	31.5	74%	0.742	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.3	-1.9	179.3	0	0	0	0	0	115	S290	S290-G292 PolarHBondContact O-N 2.56Å
293	C	93.1	Very high	94.9	Very high	19 Å²	19	32.3 Å²	32.3	13%	0.128	19%	0.191	C	C	.	.			trans	-80.6	127.7	174.6	-171.4	0	0	0	0	110.8	C261 C288 S290 V291	C261-C293 VanDerWaalsContact SG-SG 3.69Å; C288-C293 HydrophobicContact CB-CB 3.8Å; C288-C293 WeakPolarHBondContact CB-SG 3.46Å; S290-C293 WeakPolarHBondContact O-CB 3.5Å; S290-C293 PolarHBondContact O-N 2.86Å; S290-C293 VanDerWaalsContact O-N 3.14Å; V291-C293 PolarHBondContact O-N 3.38Å
294	N	94.3	Very high	94.8	Very high	82 Å²	82	35.8 Å²	35.8	44%	0.439	21%	0.212	S	C	.	.			trans	-99.8	-4.2	-179.8	-72.9	-55.2	0	0	0	114.4	N104 K287 L296	N104-N294 WeakPolarHBondContact CB-O 3.46Å; K287-N294 PolarHBondContact NZ-OD1 3.1Å; N294-L296 PolarHBondContact O-N 3.4Å
295	V	94.6	Very high	94.8	Very high	7 Å²	7	34.8 Å²	34.8	4%	0.042	21%	0.207	C	C	.	.			trans	-62.8	129.7	179.9	171.6	0	0	0	0	110.1	N104 P107 L259 S260 C261 K287 C288	N104-V295 CarbonylContact O-C 3.59Å; N104-V295 VanDerWaalsContact O-CA 3.31Å; N104-V295 WeakPolarHBondContact O-CA 3.2Å; P107-V295 HydrophobicContact CB-CG2 4.22Å; L259-V295 HydrophobicContact CB-CG1 4.17Å; L259-V295 HydrophobicContact CD1-CG1 4.26Å; S260-V295 WeakPolarHBondContact OG-CG1 3.38Å; C261-V295 HydrophobicContact CB-CB 4.09Å; C261-V295 HydrophobicContact CB-CG2 3.79Å; K287-V295 CarbonylContact C-O 3.57Å; K287-V295 WeakPolarHBondContact CA-O 3.48Å; C288-V295 PolarHBondContact N-O 3.12Å
296	L	97.1	Very high	94.7	Very high	15 Å²	15	32.2 Å²	32.2	8%	0.079	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-77.4	146.8	-178	-64.6	174	0	0	0	111.8	L76 H103 N104 I286 K287 N294 I298	L76-L296 HydrophobicContact CD1-CD1 3.85Å; L76-L296 HydrophobicContact CD2-CD1 3.96Å; H103-L296 WeakPolarHBondContact O-CD1 3.34Å; N104-L296 HydrophobicContact CB-CD1 4.32Å; N104-L296 HydrophobicContact CB-CG 4.04Å; N104-L296 PolarHBondContact O-N 2.86Å; I286-L296 WeakPolarHBondContact O-CA 3.34Å; K287-L296 HydrophobicContact CG-CD2 4.01Å; N294-L296 PolarHBondContact O-N 3.4Å; L296-I298 HydrophobicContact CB-CD1 4.43Å; L296-I298 PolarHBondContact O-N 3.37Å
297	V	97.1	Very high	94.3	Very high	7 Å²	7	38.8 Å²	38.8	4%	0.042	22%	0.224	C	C	.	.			trans	-78.7	110.3	169.3	-172.5	0	0	0	0	107.7	L259 W270 L274 I286 K287 F301 L302	L259-V297 HydrophobicContact CD1-CG2 4.04Å; W270-V297 HydrophobicContact CH2-CG2 4.39Å; W270-V297 HydrophobicContact CZ3-CG2 3.91Å; L274-V297 HydrophobicContact CD2-CG1 4.19Å; L274-V297 HydrophobicContact CD2-CG2 4.47Å; I286-V297 HydrophobicContact CB-CB 4.48Å; I286-V297 HydrophobicContact CB-CG2 4.42Å; I286-V297 HydrophobicContact CG2-CB 4.17Å; I286-V297 HydrophobicContact CG2-CG2 3.69Å; I286-V297 PolarHBondContact O-N 3.42Å; K287-V297 WeakPolarHBondContact O-CG2 3.21Å; V297-F301 HydrophobicContact CG1-CD1 3.63Å; V297-F301 HydrophobicContact CG1-CE1 4.15Å; V297-L302 HydrophobicContact CG1-CB 3.88Å; V297-L302 HydrophobicContact CG1-CD1 4.2Å; V297-L302 HydrophobicContact CG1-CG 4.43Å
298	I	96	Very high	94.1	Very high	6 Å²	6	38.7 Å²	38.7	3%	0.031	23%	0.228	C	C	.	.			trans	-74	142.8	179.9	-52.5	-54.3	0	0	0	110.2	A72 I73 L76 I105 A120 V121 L296 D300 F301 L302	A72-I298 HydrophobicContact CB-CG2 3.76Å; I73-I298 HydrophobicContact CD1-CD1 4.38Å; I73-I298 HydrophobicContact CD1-CG1 4.36Å; I73-I298 HydrophobicContact CD1-CG2 3.94Å; L76-I298 HydrophobicContact CD2-CD1 3.76Å; I105-I298 HydrophobicContact CG1-CD1 4.18Å; I105-I298 HydrophobicContact CG2-CD1 4.27Å; A120-I298 HydrophobicContact CB-CG2 4.34Å; V121-I298 HydrophobicContact CG2-CB 4.41Å; V121-I298 HydrophobicContact CG2-CG1 3.64Å; L296-I298 HydrophobicContact CB-CD1 4.43Å; L296-I298 PolarHBondContact O-N 3.37Å; I298-D300 VanDerWaalsContact C-N 3.3Å; I298-D300 VanDerWaalsContact CG2-OD1 3.24Å; I298-D300 WeakPolarHBondContact CG2-OD1 3.4Å; I298-D300 PolarHBondContact O-N 3.25Å; I298-F301 WeakPolarHBondContact O-CB 3.09Å; I298-F301 PolarHBondContact O-N 3.5Å; I298-F301 VanDerWaalsContact O-N 3.1Å; I298-L302 PolarHBondContact O-N 2.85Å
299	E	95	Very high	94.2	Very high	16 Å²	16	42.3 Å²	42.3	8%	0.075	25%	0.251	C	S	.	.	H	α-helix	trans	-50.3	-43.2	-173.2	-177.5	-168.2	134.8	0	0	113.8	A72 R75 F301 L302 L303 Y315 L319	A72-E299 HydrophobicContact CB-CB 4.04Å; R75-E299 IonicContact CZ-OE1 3.42Å; R75-E299 IonicContact CZ-OE2 2.76Å; R75-E299 IonicContact NH1-OE1 3.84Å; R75-E299 PolarHBondContact NH1-OE1 3.36Å; R75-E299 IonicContact NH1-OE2 2.67Å; R75-E299 PolarHBondContact NH1-OE2 3.22Å; R75-E299 IonicContact NH2-OE1 2.92Å; E299-F301 VanDerWaalsContact C-N 3.34Å; E299-F301 PolarHBondContact O-N 3.43Å; E299-L302 PolarHBondContact O-N 2.86Å; E299-L303 HydrophobicContact CG-CD1 3.78Å; E299-L303 HydrophobicContact CG-CG 4.13Å; E299-L303 WeakPolarHBondContact O-CB 3.15Å; E299-L303 VanDerWaalsContact O-CG 3.26Å; E299-L303 WeakPolarHBondContact O-CG 3.43Å; E299-L303 PolarHBondContact O-N 3.08Å; E299-Y315 HydrophobicContact CG-CE1 4.12Å; E299-Y315 WeakPolarHBondContact CG-OH 3.5Å; E299-L319 HydrophobicContact CG-CD2 4.37Å
300	D	94.6	Very high	94.2	Very high	33 Å²	33	45.6 Å²	45.6	18%	0.176	27%	0.274	C	S	.	.	H	α-helix	trans	-63.4	-40.3	-178	71.5	-52.5	0	0	0	112.3	S118 Q119 A120 I298 T304	S118-D300 WeakPolarHBondContact CA-OD2 3.44Å; S118-D300 VanDerWaalsContact OG-CG 3.27Å; S118-D300 PolarHBondContact OG-OD1 3.34Å; S118-D300 PolarHBondContact OG-OD2 3.36Å; S118-D300 VanDerWaalsContact OG-OD2 3.12Å; Q119-D300 PolarHBondContact N-OD2 3.33Å; A120-D300 HydrophobicContact CB-CB 4.28Å; A120-D300 WeakPolarHBondContact CB-OD1 3.49Å; A120-D300 PolarHBondContact N-OD2 3.28Å; I298-D300 VanDerWaalsContact C-N 3.3Å; I298-D300 VanDerWaalsContact CG2-OD1 3.24Å; I298-D300 WeakPolarHBondContact CG2-OD1 3.4Å; I298-D300 PolarHBondContact O-N 3.25Å; D300-T304 PolarHBondContact O-N 3.34Å; D300-T304 PolarHBondContact O-OG1 2.88Å
301	F	95.5	Very high	94.5	Very high	3 Å²	3	44.8 Å²	44.8	1%	0.013	27%	0.268	C	S	.	.	H	α-helix	trans	-67.6	-45.2	174.7	174.8	-92.4	0	0	0	111.1	D117 Y257 L259 W270 V297 I298 E299 T304 L305	D117-F301 HydrophobicContact CB-CD2 3.89Å; D117-F301 HydrophobicContact CB-CE2 3.72Å; Y257-F301 HydrophobicContact CD1-CE2 4.1Å; Y257-F301 HydrophobicContact CG-CE2 4.49Å; L259-F301 HydrophobicContact CD2-CD1 3.7Å; L259-F301 HydrophobicContact CD2-CD2 4.48Å; L259-F301 HydrophobicContact CD2-CE1 3.76Å; L259-F301 HydrophobicContact CD2-CG 4.05Å; L259-F301 HydrophobicContact CD2-CZ 4.19Å; W270-F301 AromaticContact CD2-CE1 3.88Å; W270-F301 HydrophobicContact CD2-CE1 3.88Å; W270-F301 AromaticContact CD2-CZ 3.99Å; W270-F301 HydrophobicContact CD2-CZ 3.99Å; W270-F301 AromaticContact CE2-CE1 3.92Å; W270-F301 AromaticContact CE2-CZ 3.69Å; W270-F301 AromaticContact CE3-CE1 3.92Å; W270-F301 HydrophobicContact CE3-CE1 3.92Å; W270-F301 HydrophobicContact CE3-CZ 4.48Å; W270-F301 HydrophobicContact CG-CZ 4.45Å; W270-F301 HydrophobicContact CH2-CE1 4.1Å; W270-F301 HydrophobicContact CZ2-CE1 4.03Å; W270-F301 AromaticContact CZ2-CZ 3.97Å; W270-F301 HydrophobicContact CZ2-CZ 3.97Å; W270-F301 HydrophobicContact CZ3-CE1 4.05Å; W270-F301 AromaticContact NE1-CZ 3.91Å; V297-F301 HydrophobicContact CG1-CD1 3.63Å; V297-F301 HydrophobicContact CG1-CE1 4.15Å; I298-F301 WeakPolarHBondContact O-CB 3.09Å; I298-F301 PolarHBondContact O-N 3.5Å; I298-F301 VanDerWaalsContact O-N 3.1Å; E299-F301 VanDerWaalsContact C-N 3.34Å; E299-F301 PolarHBondContact O-N 3.43Å; F301-T304 WeakPolarHBondContact O-CB 3.23Å; F301-T304 PolarHBondContact O-N 3.43Å; F301-L305 HydrophobicContact CD1-CD1 3.8Å; F301-L305 HydrophobicContact CE1-CD1 3.29Å; F301-L305 HydrophobicContact CE2-CD1 4.11Å; F301-L305 HydrophobicContact CG-CD1 4.43Å; F301-L305 HydrophobicContact CZ-CD1 3.47Å; F301-L305 VanDerWaalsContact CZ-CD1 3.47Å; F301-L305 PolarHBondContact O-N 3.28Å
302	L	95.7	Very high	94.7	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.3	-50	178.3	-173.1	153.9	0	0	0	111.2	L274 I278 I286 V297 I298 E299 T304 L305 L306 Y315	L274-L302 HydrophobicContact CD1-CG 4.17Å; L274-L302 HydrophobicContact CD2-CD1 3.94Å; L274-L302 HydrophobicContact CD2-CG 4.1Å; I278-L302 HydrophobicContact CD1-CD2 4.45Å; I286-L302 HydrophobicContact CD1-CD1 3.98Å; V297-L302 HydrophobicContact CG1-CB 3.88Å; V297-L302 HydrophobicContact CG1-CD1 4.2Å; V297-L302 HydrophobicContact CG1-CG 4.43Å; I298-L302 PolarHBondContact O-N 2.85Å; E299-L302 PolarHBondContact O-N 2.86Å; L302-T304 PolarHBondContact O-N 3.24Å; L302-L305 PolarHBondContact O-N 3.37Å; L302-L306 HydrophobicContact CD2-CD1 3.4Å; L302-L306 VanDerWaalsContact CD2-CD1 3.4Å; L302-L306 HydrophobicContact CD2-CG 3.8Å; L302-L306 PolarHBondContact O-N 3.46Å; L302-L306 VanDerWaalsContact O-N 3.12Å; L302-Y315 HydrophobicContact CD1-CD2 4.1Å; L302-Y315 HydrophobicContact CD1-CE2 3.55Å; L302-Y315 HydrophobicContact CD2-CD1 3.77Å; L302-Y315 HydrophobicContact CD2-CD2 3.79Å; L302-Y315 HydrophobicContact CD2-CE1 3.7Å; L302-Y315 HydrophobicContact CD2-CE2 3.69Å; L302-Y315 HydrophobicContact CD2-CG 3.82Å; L302-Y315 HydrophobicContact CG-CE2 4.28Å
303	L	95.1	Very high	95	Very high	39 Å²	39	42.4 Å²	42.4	20%	0.204	23%	0.229	C	C	.	.	H	α-helix	trans	-63.9	-28.1	-179.9	-70.4	178.2	0	0	0	113	E299 L305 K312 Y315 L316	E299-L303 HydrophobicContact CG-CD1 3.78Å; E299-L303 HydrophobicContact CG-CG 4.13Å; E299-L303 WeakPolarHBondContact O-CB 3.15Å; E299-L303 VanDerWaalsContact O-CG 3.26Å; E299-L303 WeakPolarHBondContact O-CG 3.43Å; E299-L303 PolarHBondContact O-N 3.08Å; L303-L305 VanDerWaalsContact C-N 3.26Å; L303-L305 PolarHBondContact O-N 3.4Å; L303-K312 HydrophobicContact CD2-CG 4.2Å; L303-Y315 HydrophobicContact CD2-CD1 3.88Å; L303-Y315 HydrophobicContact CD2-CE1 3.91Å; L303-Y315 HydrophobicContact CG-CE1 4.33Å; L303-L316 HydrophobicContact CD2-CD2 4.15Å
304	T	93	Very high	95.2	Very high	72 Å²	72	45.5 Å²	45.5	44%	0.442	24%	0.241	S	C	.	.	H	α-helix	trans	-67.6	-28.5	174.1	-61.3	0	0	0	0	112.1	M253 D300 F301 L302	M253-T304 HydrophobicContact CE-CG2 3.71Å; M253-T304 HydrophobicContact SD-CG2 4.44Å; D300-T304 PolarHBondContact O-N 3.34Å; D300-T304 PolarHBondContact O-OG1 2.88Å; F301-T304 WeakPolarHBondContact O-CB 3.23Å; F301-T304 PolarHBondContact O-N 3.43Å; L302-T304 PolarHBondContact O-N 3.24Å
305	L	94	Very high	95.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-92.4	-28.8	-177.2	-69.9	161.5	0	0	0	113.2	W270 R271 L274 F301 L302 L303 K307	W270-L305 HydrophobicContact CB-CD1 3.81Å; W270-L305 HydrophobicContact CB-CD2 4.16Å; W270-L305 HydrophobicContact CD2-CD1 4.18Å; W270-L305 HydrophobicContact CG-CD1 3.89Å; R271-L305 VanDerWaalsContact CG-O 3.32Å; R271-L305 WeakPolarHBondContact CG-O 3.41Å; R271-L305 PolarHBondContact NE-O 3.24Å; L274-L305 HydrophobicContact CD1-CB 3.92Å; L274-L305 HydrophobicContact CD1-CD1 3.95Å; F301-L305 HydrophobicContact CD1-CD1 3.8Å; F301-L305 HydrophobicContact CE1-CD1 3.29Å; F301-L305 HydrophobicContact CE2-CD1 4.11Å; F301-L305 HydrophobicContact CG-CD1 4.43Å; F301-L305 HydrophobicContact CZ-CD1 3.47Å; F301-L305 VanDerWaalsContact CZ-CD1 3.47Å; F301-L305 PolarHBondContact O-N 3.28Å; L302-L305 PolarHBondContact O-N 3.37Å; L303-L305 VanDerWaalsContact C-N 3.26Å; L303-L305 PolarHBondContact O-N 3.4Å; L305-K307 PolarHBondContact O-N 3.09Å
306	L	93.7	Very high	95.5	Very high	15 Å²	15	42.5 Å²	42.5	8%	0.079	22%	0.224	C	C	.	.			trans	-72.5	93.8	178.6	-66.6	-170.1	0	0	0	112.4	L274 I278 L302 V311 K312 Y315	L274-L306 HydrophobicContact CB-CD2 4.13Å; I278-L306 HydrophobicContact CD1-CD1 3.69Å; I278-L306 HydrophobicContact CD1-CD2 3.8Å; I278-L306 HydrophobicContact CD1-CG 4.33Å; L302-L306 HydrophobicContact CD2-CD1 3.4Å; L302-L306 VanDerWaalsContact CD2-CD1 3.4Å; L302-L306 HydrophobicContact CD2-CG 3.8Å; L302-L306 PolarHBondContact O-N 3.46Å; L302-L306 VanDerWaalsContact O-N 3.12Å; L306-V311 HydrophobicContact CD2-CG1 4.05Å; L306-K312 HydrophobicContact CB-CB 4.33Å; L306-K312 HydrophobicContact CD1-CB 4.34Å; L306-Y315 HydrophobicContact CD1-CD1 4.46Å; L306-Y315 HydrophobicContact CD1-CG 4.26Å
307	K	89.7	Confident	95.4	Very high	141 Å²	141	45.1 Å²	45.1	61%	0.613	24%	0.238	S	C	*	.			trans	-86.6	-22.4	175.8	-67.3	-177.6	172.6	176.8	0	114.2	R271 L305 P309	R271-K307 VanDerWaalsContact NH2-NZ 3.13Å; L305-K307 PolarHBondContact O-N 3.09Å; K307-P309 WeakPolarHBondContact O-CD 2.8Å
308	N	92.9	Very high	95.5	Very high	83 Å²	83	45.8 Å²	45.8	44%	0.444	24%	0.241	S	C	.	.			trans	-84.6	113.1	-177.3	-174.8	-11.2	0	0	0	110	P310 V311 K312	N308-P310 WeakPolarHBondContact OD1-CD 3.16Å; N308-V311 HydrophobicContact CB-CB 4.2Å; N308-V311 HydrophobicContact CB-CG2 4Å; N308-V311 PolarHBondContact O-N 3.14Å; N308-K312 PolarHBondContact O-N 3.45Å
309	P	95.8	Very high	95.5	Very high	81 Å²	81	45.7 Å²	45.7	53%	0.526	24%	0.241	S	C	.	.	H	α-helix	trans	-58.8	-49	-173.9	-20.4	30.9	0	0	0	114.4	K307 V311 K312 D313	K307-P309 WeakPolarHBondContact O-CD 2.8Å; P309-V311 VanDerWaalsContact C-N 3.29Å; P309-V311 PolarHBondContact O-N 3.08Å; P309-K312 WeakPolarHBondContact O-CA 3.38Å; P309-K312 WeakPolarHBondContact O-CB 3.25Å; P309-K312 PolarHBondContact O-N 2.87Å; P309-D313 PolarHBondContact O-N 2.67Å
310	P	97.1	Very high	95.6	Very high	92 Å²	92	45.3 Å²	45.3	60%	0.597	24%	0.239	S	C	*	.	H	α-helix	trans	-49.7	-41.8	172.7	-30.1	27.3	0	0	0	115.8	N308 K314	N308-P310 WeakPolarHBondContact OD1-CD 3.16Å; P310-K314 WeakPolarHBondContact O-CB 3.4Å; P310-K314 PolarHBondContact O-N 3.38Å
311	V	96.8	Very high	95.7	Very high	10 Å²	10	47.3 Å²	47.3	6%	0.061	25%	0.247	C	C	.	.	H	α-helix	trans	-70.8	-38.9	179.5	179.2	0	0	0	0	110.4	T275 I278 L306 N308 P309 K314 Y315	T275-V311 HydrophobicContact CG2-CG1 4.32Å; T275-V311 HydrophobicContact CG2-CG2 4.03Å; I278-V311 HydrophobicContact CB-CG1 4.33Å; I278-V311 HydrophobicContact CD1-CG1 3.98Å; I278-V311 HydrophobicContact CG2-CG1 4.11Å; L306-V311 HydrophobicContact CD2-CG1 4.05Å; N308-V311 HydrophobicContact CB-CB 4.2Å; N308-V311 HydrophobicContact CB-CG2 4Å; N308-V311 PolarHBondContact O-N 3.14Å; P309-V311 VanDerWaalsContact C-N 3.29Å; P309-V311 PolarHBondContact O-N 3.08Å; V311-K314 PolarHBondContact O-N 3.35Å; V311-Y315 PolarHBondContact O-N 3.41Å
312	K	96.6	Very high	95.7	Very high	83 Å²	83	50 Å²	50	36%	0.361	26%	0.257	S	S	.	.	H	α-helix	trans	-62.2	-47.1	175	-174.4	-178.9	174.9	-176.8	0	111.3	L303 L306 N308 P309 K314 Y315 L316	L303-K312 HydrophobicContact CD2-CG 4.2Å; L306-K312 HydrophobicContact CB-CB 4.33Å; L306-K312 HydrophobicContact CD1-CB 4.34Å; N308-K312 PolarHBondContact O-N 3.45Å; P309-K312 WeakPolarHBondContact O-CA 3.38Å; P309-K312 WeakPolarHBondContact O-CB 3.25Å; P309-K312 PolarHBondContact O-N 2.87Å; K312-K314 VanDerWaalsContact C-N 3.34Å; K312-K314 PolarHBondContact O-N 2.97Å; K312-Y315 WeakPolarHBondContact O-CB 3.28Å; K312-Y315 PolarHBondContact O-N 3.05Å; K312-L316 WeakPolarHBondContact O-CG 3.23Å; K312-L316 PolarHBondContact O-N 3.49Å
313	D	97	Very high	95.8	Very high	86 Å²	86	50 Å²	50	46%	0.46	26%	0.257	S	S	.	.	H	α-helix	trans	-64.1	-40.9	179.2	-62.1	-23.7	0	0	0	111.2	P309 Y315 L316 N317	P309-D313 PolarHBondContact O-N 2.67Å; D313-Y315 PolarHBondContact O-N 3.11Å; D313-L316 PolarHBondContact O-N 3.42Å; D313-N317 VanDerWaalsContact O-CG 3.32Å; D313-N317 PolarHBondContact O-N 3.15Å; D313-N317 PolarHBondContact O-ND2 2.97Å; D313-N317 VanDerWaalsContact O-ND2 3.15Å
314	K	97.7	Very high	95.9	Very high	85 Å²	85	48.2 Å²	48.2	37%	0.37	25%	0.248	S	C	.	.	H	α-helix	trans	-58.8	-45.5	172.8	-176.5	169.8	176.4	175.9	0	111.8	I278 E279 P310 V311 K312 N317 L318	I278-K314 HydrophobicContact CG2-CB 4.2Å; I278-K314 HydrophobicContact CG2-CD 4.27Å; I278-K314 HydrophobicContact CG2-CG 4Å; I278-K314 VanDerWaalsContact O-CE 3.22Å; I278-K314 WeakPolarHBondContact O-CE 3.15Å; E279-K314 PolarHBondContact O-NZ 2.97Å; P310-K314 WeakPolarHBondContact O-CB 3.4Å; P310-K314 PolarHBondContact O-N 3.38Å; V311-K314 PolarHBondContact O-N 3.35Å; K312-K314 VanDerWaalsContact C-N 3.34Å; K312-K314 PolarHBondContact O-N 2.97Å; K314-N317 PolarHBondContact O-N 3.07Å; K314-L318 HydrophobicContact CG-CD1 4.16Å; K314-L318 WeakPolarHBondContact O-CG 3.47Å; K314-L318 PolarHBondContact O-N 3.28Å
315	Y	98	Very high	96.1	Very high	3 Å²	3	49.3 Å²	49.3	1%	0.012	25%	0.248	C	C	.	.	H	α-helix	trans	-60	-45.4	175.6	170.1	-98.3	0	0	0	112.3	I278 E299 L302 L303 L306 V311 K312 D313 N317 L318 L319	I278-Y315 HydrophobicContact CD1-CD2 4.15Å; I278-Y315 HydrophobicContact CD1-CG 4.32Å; I278-Y315 HydrophobicContact CG1-CD2 4.1Å; E299-Y315 HydrophobicContact CG-CE1 4.12Å; E299-Y315 WeakPolarHBondContact CG-OH 3.5Å; L302-Y315 HydrophobicContact CD1-CD2 4.1Å; L302-Y315 HydrophobicContact CD1-CE2 3.55Å; L302-Y315 HydrophobicContact CD2-CD1 3.77Å; L302-Y315 HydrophobicContact CD2-CD2 3.79Å; L302-Y315 HydrophobicContact CD2-CE1 3.7Å; L302-Y315 HydrophobicContact CD2-CE2 3.69Å; L302-Y315 HydrophobicContact CD2-CG 3.82Å; L302-Y315 HydrophobicContact CG-CE2 4.28Å; L303-Y315 HydrophobicContact CD2-CD1 3.88Å; L303-Y315 HydrophobicContact CD2-CE1 3.91Å; L303-Y315 HydrophobicContact CG-CE1 4.33Å; L306-Y315 HydrophobicContact CD1-CD1 4.46Å; L306-Y315 HydrophobicContact CD1-CG 4.26Å; V311-Y315 PolarHBondContact O-N 3.41Å; K312-Y315 WeakPolarHBondContact O-CB 3.28Å; K312-Y315 PolarHBondContact O-N 3.05Å; D313-Y315 PolarHBondContact O-N 3.11Å; Y315-N317 VanDerWaalsContact C-N 3.32Å; Y315-N317 PolarHBondContact O-N 3.1Å; Y315-L318 PolarHBondContact O-N 3.16Å; Y315-L319 HydrophobicContact CE1-CD2 4.28Å; Y315-L319 WeakPolarHBondContact O-CB 3.41Å; Y315-L319 PolarHBondContact O-N 3.41Å
316	L	96.3	Very high	96.2	Very high	22 Å²	22	50.6 Å²	50.6	12%	0.115	26%	0.257	C	S	.	.	H	α-helix	trans	-63.2	-38	178.9	-67.1	-177.8	0	0	0	112.3	V235 L303 K312 D313 L319 F320	V235-L316 HydrophobicContact CG1-CD1 4.38Å; V235-L316 HydrophobicContact CG1-CD2 3.34Å; V235-L316 HydrophobicContact CG1-CG 4.45Å; L303-L316 HydrophobicContact CD2-CD2 4.15Å; K312-L316 WeakPolarHBondContact O-CG 3.23Å; K312-L316 PolarHBondContact O-N 3.49Å; D313-L316 PolarHBondContact O-N 3.42Å; L316-L319 PolarHBondContact O-N 3.2Å; L316-F320 PolarHBondContact O-N 2.69Å
317	N	96.5	Very high	96.4	Very high	71 Å²	71	50.5 Å²	50.5	38%	0.38	26%	0.256	S	S	.	.	H	α-helix	trans	-65.8	-45.9	174.2	-72.7	-35.2	0	0	0	112.2	R49 D313 K314 Y315 L319 F320 Q321	R49-N317 VanDerWaalsContact CZ-OD1 3.27Å; R49-N317 PolarHBondContact NH1-OD1 3.03Å; R49-N317 PolarHBondContact NH2-OD1 2.66Å; D313-N317 VanDerWaalsContact O-CG 3.32Å; D313-N317 PolarHBondContact O-N 3.15Å; D313-N317 PolarHBondContact O-ND2 2.97Å; D313-N317 VanDerWaalsContact O-ND2 3.15Å; K314-N317 PolarHBondContact O-N 3.07Å; Y315-N317 VanDerWaalsContact C-N 3.32Å; Y315-N317 PolarHBondContact O-N 3.1Å; N317-L319 VanDerWaalsContact C-N 3.3Å; N317-L319 PolarHBondContact O-N 2.71Å; N317-F320 PolarHBondContact O-N 2.9Å; N317-Q321 WeakPolarHBondContact O-CB 3.39Å; N317-Q321 PolarHBondContact O-N 3.43Å
318	L	97.7	Very high	96.7	Very high	21 Å²	21	46.4 Å²	46.4	11%	0.11	24%	0.244	C	C	.	.	H	α-helix	trans	-61.1	-42	175.3	-70.1	168.7	0	0	0	111	I278 K314 Y315 Q321 R322	I278-L318 HydrophobicContact CG2-CD1 4.21Å; K314-L318 HydrophobicContact CG-CD1 4.16Å; K314-L318 WeakPolarHBondContact O-CG 3.47Å; K314-L318 PolarHBondContact O-N 3.28Å; Y315-L318 PolarHBondContact O-N 3.16Å; L318-Q321 WeakPolarHBondContact O-CB 2.9Å; L318-Q321 PolarHBondContact O-N 2.99Å; L318-R322 WeakPolarHBondContact O-CG 3.45Å; L318-R322 PolarHBondContact O-N 3.01Å
319	L	96.6	Very high	96.9	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.016	23%	0.231	C	C	.	.	H	α-helix	trans	-60.3	-49.3	177.1	-177.4	66.4	0	0	0	111.2	E299 Y315 L316 N317 Q321 R322 M323	E299-L319 HydrophobicContact CG-CD2 4.37Å; Y315-L319 HydrophobicContact CE1-CD2 4.28Å; Y315-L319 WeakPolarHBondContact O-CB 3.41Å; Y315-L319 PolarHBondContact O-N 3.41Å; L316-L319 PolarHBondContact O-N 3.2Å; N317-L319 VanDerWaalsContact C-N 3.3Å; N317-L319 PolarHBondContact O-N 2.71Å; L319-Q321 VanDerWaalsContact C-N 3.31Å; L319-Q321 PolarHBondContact O-N 2.74Å; L319-R322 PolarHBondContact O-N 3.15Å; L319-M323 HydrophobicContact CD1-CE 3.88Å; L319-M323 WeakPolarHBondContact O-CG 3.36Å; L319-M323 PolarHBondContact O-N 3.05Å
320	F	97	Very high	97	Very high	8 Å²	8	40 Å²	40	4%	0.035	21%	0.207	C	C	.	.	H	α-helix	trans	-56.7	-45.7	175	174.4	-103.4	0	0	0	111.4	R49 V52 E53 L56 W236 L316 N317 R322 M323 V324 F332 L341	R49-F320 HydrophobicContact CG-CE1 3.93Å; R49-F320 HydrophobicContact CG-CE2 4.38Å; R49-F320 HydrophobicContact CG-CZ 3.82Å; V52-F320 HydrophobicContact CB-CE2 4.43Å; V52-F320 HydrophobicContact CB-CZ 4.36Å; V52-F320 HydrophobicContact CG1-CE2 4.1Å; V52-F320 HydrophobicContact CG1-CZ 4.2Å; E53-F320 HydrophobicContact CG-CD2 3.6Å; E53-F320 HydrophobicContact CG-CE2 3.39Å; E53-F320 HydrophobicContact CG-CZ 4.29Å; L56-F320 HydrophobicContact CD1-CD2 4.4Å; L56-F320 HydrophobicContact CD1-CE2 4.12Å; W236-F320 AromaticContact CH2-CD2 3.97Å; W236-F320 HydrophobicContact CH2-CD2 3.97Å; W236-F320 HydrophobicContact CZ2-CB 3.97Å; W236-F320 AromaticContact CZ2-CD2 3.83Å; W236-F320 HydrophobicContact CZ2-CD2 3.83Å; W236-F320 HydrophobicContact CZ2-CG 4.42Å; L316-F320 PolarHBondContact O-N 2.69Å; N317-F320 PolarHBondContact O-N 2.9Å; F320-R322 PolarHBondContact O-N 3.13Å; F320-M323 WeakPolarHBondContact O-CB 3.48Å; F320-M323 PolarHBondContact O-N 2.96Å; F320-M323 VanDerWaalsContact O-N 3.14Å; F320-V324 HydrophobicContact CD1-CG2 4.35Å; F320-V324 HydrophobicContact CD2-CG2 4.33Å; F320-V324 HydrophobicContact CE1-CG2 3.87Å; F320-V324 HydrophobicContact CE2-CG2 3.83Å; F320-V324 HydrophobicContact CZ-CG2 3.59Å; F320-V324 WeakPolarHBondContact O-CG2 3.46Å; F320-V324 PolarHBondContact O-N 3.49Å; F320-F332 HydrophobicContact CD1-CZ 4.35Å; F320-F332 AromaticContact CE1-CE1 3.97Å; F320-F332 HydrophobicContact CE1-CE1 3.97Å; F320-F332 HydrophobicContact CE1-CZ 4.06Å; F320-L341 HydrophobicContact CE1-CD2 4.24Å; F320-L341 HydrophobicContact CZ-CD1 4.26Å; F320-L341 HydrophobicContact CZ-CD2 3.91Å
321	Q	96.5	Very high	97.1	Very high	76 Å²	76	37.4 Å²	37.4	36%	0.355	19%	0.185	S	C	.	.	H	α-helix	trans	-56.7	-47.6	177.1	-178.1	178.1	-9.3	0	0	112.2	N317 L318 L319 M323 V324 E325 F332	N317-Q321 WeakPolarHBondContact O-CB 3.39Å; N317-Q321 PolarHBondContact O-N 3.43Å; L318-Q321 WeakPolarHBondContact O-CB 2.9Å; L318-Q321 PolarHBondContact O-N 2.99Å; L319-Q321 VanDerWaalsContact C-N 3.31Å; L319-Q321 PolarHBondContact O-N 2.74Å; Q321-M323 VanDerWaalsContact C-N 3.33Å; Q321-M323 PolarHBondContact O-N 3.19Å; Q321-V324 PolarHBondContact O-N 2.96Å; Q321-E325 HydrophobicContact CG-CG 4.34Å; Q321-E325 VanDerWaalsContact CG-OE1 3.22Å; Q321-E325 WeakPolarHBondContact CG-OE1 3.44Å; Q321-E325 PolarHBondContact NE2-OE1 3.27Å; Q321-E325 WeakPolarHBondContact O-CB 3.39Å; Q321-E325 VanDerWaalsContact O-CG 3.3Å; Q321-E325 WeakPolarHBondContact O-CG 3.42Å; Q321-E325 PolarHBondContact O-N 3.47Å; Q321-F332 HydrophobicContact CB-CE2 4.44Å; Q321-F332 HydrophobicContact CB-CZ 4.32Å; Q321-F332 HydrophobicContact CG-CE2 3.9Å; Q321-F332 HydrophobicContact CG-CZ 4.22Å
322	R	97	Very high	97.1	Very high	59 Å²	59	40.1 Å²	40.1	22%	0.223	20%	0.197	C	C	.	.	H	α-helix	trans	-66	-34.8	177.1	-59.9	-43.4	175.7	80.7	6.7	112.7	H79 G281 S283 I284 E285 L318 L319 F320 E325 S326	H79-R322 PolarHBondContact CD2-O 3.32Å; G281-R322 PolarHBondContact O-NH2 3.37Å; S283-R322 VanDerWaalsContact OG-CG 3.24Å; S283-R322 WeakPolarHBondContact OG-CG 3.36Å; I284-R322 HydrophobicContact CG2-CB 4.5Å; E285-R322 VanDerWaalsContact CD-NH1 3.34Å; E285-R322 IonicContact OE1-CZ 3.49Å; E285-R322 VanDerWaalsContact OE1-CZ 3.24Å; E285-R322 IonicContact OE1-NH1 2.73Å; E285-R322 PolarHBondContact OE1-NH1 2.9Å; E285-R322 IonicContact OE1-NH2 3.58Å; E285-R322 PolarHBondContact OE1-NH2 3.47Å; E285-R322 IonicContact OE2-CZ 3.59Å; E285-R322 IonicContact OE2-NH1 3.49Å; E285-R322 PolarHBondContact OE2-NH1 2.9Å; L318-R322 WeakPolarHBondContact O-CG 3.45Å; L318-R322 PolarHBondContact O-N 3.01Å; L319-R322 PolarHBondContact O-N 3.15Å; F320-R322 PolarHBondContact O-N 3.13Å; R322-E325 VanDerWaalsContact CD-OE2 3.26Å; R322-E325 WeakPolarHBondContact CD-OE2 3.5Å; R322-E325 IonicContact NE-OE2 2.64Å; R322-S326 VanDerWaalsContact O-CB 3.28Å; R322-S326 WeakPolarHBondContact O-CB 3.22Å; R322-S326 PolarHBondContact O-N 3.13Å; R322-S326 PolarHBondContact O-OG 3.23Å
323	M	97.2	Very high	97.1	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-62.2	-44.6	174.5	-68.5	-51.8	105	0	0	111.3	L56 R75 H79 W83 W236 I284 L319 F320 Q321 S326 H327	L56-M323 HydrophobicContact CD1-CB 3.99Å; R75-M323 HydrophobicContact CB-SD 4.41Å; H79-M323 HydrophobicContact CB-CE 3.79Å; H79-M323 HydrophobicContact CB-SD 4.28Å; W83-M323 HydrophobicContact CH2-SD 4.23Å; W83-M323 HydrophobicContact CZ2-CB 3.92Å; W83-M323 HydrophobicContact CZ2-CG 4.25Å; W83-M323 HydrophobicContact CZ2-SD 3.71Å; W236-M323 HydrophobicContact CH2-CG 4.42Å; I284-M323 HydrophobicContact CD1-CE 3.66Å; L319-M323 HydrophobicContact CD1-CE 3.88Å; L319-M323 WeakPolarHBondContact O-CG 3.36Å; L319-M323 PolarHBondContact O-N 3.05Å; F320-M323 WeakPolarHBondContact O-CB 3.48Å; F320-M323 PolarHBondContact O-N 2.96Å; F320-M323 VanDerWaalsContact O-N 3.14Å; Q321-M323 VanDerWaalsContact C-N 3.33Å; Q321-M323 PolarHBondContact O-N 3.19Å; M323-S326 PolarHBondContact O-OG 3.26Å; M323-H327 WeakPolarHBondContact O-CB 3.32Å; M323-H327 PolarHBondContact O-N 3.23Å
324	V	97.5	Very high	97.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-65.7	-49.3	177	171.7	0	0	0	0	111.4	V52 L56 F320 Q321 S326 H327 L330 F332 L341	V52-V324 HydrophobicContact CG1-CG2 4.22Å; L56-V324 HydrophobicContact CD1-CG2 4.32Å; F320-V324 HydrophobicContact CD1-CG2 4.35Å; F320-V324 HydrophobicContact CD2-CG2 4.33Å; F320-V324 HydrophobicContact CE1-CG2 3.87Å; F320-V324 HydrophobicContact CE2-CG2 3.83Å; F320-V324 HydrophobicContact CZ-CG2 3.59Å; F320-V324 WeakPolarHBondContact O-CG2 3.46Å; F320-V324 PolarHBondContact O-N 3.49Å; Q321-V324 PolarHBondContact O-N 2.96Å; V324-S326 VanDerWaalsContact C-N 3.29Å; V324-S326 PolarHBondContact O-N 3.29Å; V324-H327 WeakPolarHBondContact O-CB 3.41Å; V324-H327 PolarHBondContact O-N 2.74Å; V324-H327 VanDerWaalsContact O-N 3.08Å; V324-L330 HydrophobicContact CG1-CB 4.05Å; V324-F332 HydrophobicContact CB-CD2 4.49Å; V324-F332 HydrophobicContact CB-CE2 3.6Å; V324-F332 HydrophobicContact CB-CZ 3.65Å; V324-F332 HydrophobicContact CG1-CD2 3.78Å; V324-F332 HydrophobicContact CG1-CE1 4.3Å; V324-F332 HydrophobicContact CG1-CE2 3.35Å; V324-F332 HydrophobicContact CG1-CG 4.39Å; V324-F332 HydrophobicContact CG1-CZ 3.64Å; V324-F332 HydrophobicContact CG2-CE2 4.35Å; V324-F332 HydrophobicContact CG2-CZ 3.89Å; V324-L341 HydrophobicContact CB-CD2 4.22Å; V324-L341 HydrophobicContact CG1-CD2 3.6Å; V324-L341 HydrophobicContact CG2-CD2 3.55Å
325	E	96	Very high	97	Very high	96 Å²	96	32.5 Å²	32.5	45%	0.449	17%	0.17	S	C	.	.	H	α-helix	trans	-62.4	-34.2	-178.5	-73.3	169.5	176.1	0	0	112.9	Q321 R322 H327 F332	Q321-E325 HydrophobicContact CG-CG 4.34Å; Q321-E325 VanDerWaalsContact CG-OE1 3.22Å; Q321-E325 WeakPolarHBondContact CG-OE1 3.44Å; Q321-E325 PolarHBondContact NE2-OE1 3.27Å; Q321-E325 WeakPolarHBondContact O-CB 3.39Å; Q321-E325 VanDerWaalsContact O-CG 3.3Å; Q321-E325 WeakPolarHBondContact O-CG 3.42Å; Q321-E325 PolarHBondContact O-N 3.47Å; R322-E325 VanDerWaalsContact CD-OE2 3.26Å; R322-E325 WeakPolarHBondContact CD-OE2 3.5Å; R322-E325 IonicContact NE-OE2 2.64Å; E325-H327 VanDerWaalsContact C-N 3.33Å; E325-F332 HydrophobicContact CG-CE2 4.3Å
326	S	96.5	Very high	96.8	Very high	26 Å²	26	39 Å²	39	18%	0.182	20%	0.204	C	C	.	.	H	α-helix	trans	-78	-16	176.5	63.7	0	0	0	0	113.8	H79 W83 R322 M323 V324	H79-S326 VanDerWaalsContact CD2-CB 3.45Å; H79-S326 WeakPolarHBondContact CD2-CB 3.45Å; H79-S326 PolarHBondContact CD2-OG 3.16Å; H79-S326 VanDerWaalsContact CD2-OG 3.25Å; W83-S326 PolarHBondContact NE1-OG 3.02Å; R322-S326 VanDerWaalsContact O-CB 3.28Å; R322-S326 WeakPolarHBondContact O-CB 3.22Å; R322-S326 PolarHBondContact O-N 3.13Å; R322-S326 PolarHBondContact O-OG 3.23Å; M323-S326 PolarHBondContact O-OG 3.26Å; V324-S326 VanDerWaalsContact C-N 3.29Å; V324-S326 PolarHBondContact O-N 3.29Å
327	H	97.9	Very high	96.6	Very high	14 Å²	14	43.6 Å²	43.6	7%	0.065	24%	0.238	C	C	.	.			trans	-80.4	129.4	-176.8	-168.9	-75.3	0	0	0	111.2	F55 W83 M323 V324 E325 S329 L330 R331	F55-H327 AromaticContact CE1-CE1 3.89Å; F55-H327 AromaticContact CE1-NE2 3.48Å; F55-H327 WeakPolarHBondContact CE1-NE2 3.11Å; F55-H327 AromaticContact CZ-NE2 3.76Å; W83-H327 AromaticContact CD1-CD2 3.98Å; W83-H327 AromaticContact CD2-CD2 3.57Å; W83-H327 AromaticContact CE3-CD2 3.93Å; W83-H327 HydrophobicContact CG-CB 4.46Å; W83-H327 AromaticContact CG-CD2 3.6Å; M323-H327 WeakPolarHBondContact O-CB 3.32Å; M323-H327 PolarHBondContact O-N 3.23Å; V324-H327 WeakPolarHBondContact O-CB 3.41Å; V324-H327 PolarHBondContact O-N 2.74Å; V324-H327 VanDerWaalsContact O-N 3.08Å; E325-H327 VanDerWaalsContact C-N 3.33Å; H327-S329 VanDerWaalsContact C-N 3.3Å; H327-S329 PolarHBondContact ND1-N 3.02Å; H327-S329 PolarHBondContact O-N 3.2Å; H327-L330 HydrophobicContact CB-CB 4.07Å; H327-L330 HydrophobicContact CB-CD1 3.87Å; H327-L330 HydrophobicContact CB-CG 4.15Å; H327-L330 PolarHBondContact ND1-N 3.37Å; H327-L330 PolarHBondContact O-N 3.2Å; H327-R331 PolarHBondContact O-NH1 3.38Å; H327-R331 VanDerWaalsContact O-NH1 3.11Å
328	P	96.7	Very high	96.6	Very high	54 Å²	54	41 Å²	41	35%	0.351	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-37.9	-175	22.5	-33	0	0	0	113.1	R331 P348	P328-R331 PolarHBondContact O-NH1 2.89Å; P328-P348 HydrophobicContact CB-CG 4.46Å; P328-P348 WeakPolarHBondContact O-CG 3.48Å
329	S	97.3	Very high	96.5	Very high	27 Å²	27	43.6 Å²	43.6	19%	0.189	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	8.5	-174.2	-45.9	0	0	0	0	115.4	H327 C343 A344 F364	H327-S329 VanDerWaalsContact C-N 3.3Å; H327-S329 PolarHBondContact ND1-N 3.02Å; H327-S329 PolarHBondContact O-N 3.2Å; S329-C343 CarbonylContact O-C 3.25Å; S329-C343 VanDerWaalsContact O-CA 3.25Å; S329-C343 WeakPolarHBondContact O-CA 3.4Å; S329-A344 PolarHBondContact O-N 3.16Å; S329-F364 WeakPolarHBondContact O-CZ 3.48Å
330	L	98	Very high	96.5	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	141.3	-179.9	-64.2	171.1	0	0	0	112.1	V52 F55 L56 V324 H327 I342 C343	V52-L330 HydrophobicContact CG1-CD1 3.65Å; V52-L330 HydrophobicContact CG1-CD2 4.29Å; V52-L330 HydrophobicContact CG2-CD2 4.4Å; F55-L330 HydrophobicContact CD1-CD1 4.37Å; F55-L330 HydrophobicContact CE1-CD1 4.3Å; L56-L330 HydrophobicContact CD2-CD1 3.76Å; L56-L330 HydrophobicContact CG-CD1 4.31Å; V324-L330 HydrophobicContact CG1-CB 4.05Å; H327-L330 HydrophobicContact CB-CB 4.07Å; H327-L330 HydrophobicContact CB-CD1 3.87Å; H327-L330 HydrophobicContact CB-CG 4.15Å; H327-L330 PolarHBondContact ND1-N 3.37Å; H327-L330 PolarHBondContact O-N 3.2Å; L330-I342 CarbonylContact C-O 3.53Å; L330-I342 WeakPolarHBondContact CA-O 3.29Å; L330-C343 HydrophobicContact CD2-CB 3.77Å
331	R	97.5	Very high	96.5	Very high	38 Å²	38	43.5 Å²	43.5	14%	0.143	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	150.7	173	-63.7	-66.7	-179	-84.8	-3.7	110.6	H327 P328 L341 I342 F364	H327-R331 PolarHBondContact O-NH1 3.38Å; H327-R331 VanDerWaalsContact O-NH1 3.11Å; P328-R331 PolarHBondContact O-NH1 2.89Å; R331-L341 CarbonylContact O-C 3.49Å; R331-L341 VanDerWaalsContact O-CA 3.31Å; R331-L341 WeakPolarHBondContact O-CA 3.46Å; R331-I342 PolarHBondContact N-O 3.37Å; R331-I342 PolarHBondContact O-N 2.76Å; R331-F364 HydrophobicContact CB-CE2 4.22Å; R331-F364 WeakPolarHBondContact CD-O 3.24Å; R331-F364 HydrophobicContact CG-CD2 3.91Å; R331-F364 HydrophobicContact CG-CE1 4.39Å; R331-F364 HydrophobicContact CG-CE2 3.66Å; R331-F364 HydrophobicContact CG-CG 4.4Å; R331-F364 HydrophobicContact CG-CZ 3.9Å; R331-F364 WeakPolarHBondContact CG-O 3.43Å; R331-F364 PolarHBondContact NE-O 2.68Å
332	F	97.5	Very high	96.6	Very high	68 Å²	68	39.9 Å²	39.9	30%	0.298	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	146.3	163.4	-68.2	-77.1	0	0	0	110.1	F320 Q321 V324 E325 L341	F320-F332 HydrophobicContact CD1-CZ 4.35Å; F320-F332 AromaticContact CE1-CE1 3.97Å; F320-F332 HydrophobicContact CE1-CE1 3.97Å; F320-F332 HydrophobicContact CE1-CZ 4.06Å; Q321-F332 HydrophobicContact CB-CE2 4.44Å; Q321-F332 HydrophobicContact CB-CZ 4.32Å; Q321-F332 HydrophobicContact CG-CE2 3.9Å; Q321-F332 HydrophobicContact CG-CZ 4.22Å; V324-F332 HydrophobicContact CB-CD2 4.49Å; V324-F332 HydrophobicContact CB-CE2 3.6Å; V324-F332 HydrophobicContact CB-CZ 3.65Å; V324-F332 HydrophobicContact CG1-CD2 3.78Å; V324-F332 HydrophobicContact CG1-CE1 4.3Å; V324-F332 HydrophobicContact CG1-CE2 3.35Å; V324-F332 HydrophobicContact CG1-CG 4.39Å; V324-F332 HydrophobicContact CG1-CZ 3.64Å; V324-F332 HydrophobicContact CG2-CE2 4.35Å; V324-F332 HydrophobicContact CG2-CZ 3.89Å; E325-F332 HydrophobicContact CG-CE2 4.3Å; F332-L341 HydrophobicContact CD1-CD2 4.05Å; F332-L341 HydrophobicContact CD1-CG 4.09Å; F332-L341 HydrophobicContact CE1-CD2 3.78Å; F332-L341 HydrophobicContact CE1-CG 4.18Å; F332-L341 HydrophobicContact CZ-CD2 4.27Å
333	C	97.3	Very high	96.6	Very high	11 Å²	11	37.8 Å²	37.8	7%	0.074	22%	0.221	C	C	.	.			trans	-64	139	163.4	-176.1	0	0	0	0	109.9	G335 C338 V340 C355 C358	C333-G335 VanDerWaalsContact C-N 3.33Å; C333-G335 PolarHBondContact SG-N 3Å; C333-G335 VanDerWaalsContact SG-N 3.43Å; C333-C338 HydrophobicContact CB-CB 4.1Å; C333-V340 HydrophobicContact CB-CB 4.32Å; C333-V340 WeakPolarHBondContact CB-O 3.3Å; C333-V340 PolarHBondContact N-O 3.32Å; C333-C355 VanDerWaalsContact SG-CB 3.56Å; C333-C358 PolarHBondContact SG-SG 2.91Å
334	V	96.3	Very high	96.6	Very high	68 Å²	68	38.2 Å²	38.2	41%	0.412	23%	0.225	S	C	.	.			trans	-82.5	-12.5	178.8	-55.4	0	0	0	0	113.3	A360 F362 S367	V334-A360 HydrophobicContact CG2-CB 4.1Å; V334-F362 HydrophobicContact CG1-CB 4.11Å; V334-F362 HydrophobicContact CG1-CD1 4.23Å; V334-F362 HydrophobicContact CG1-CD2 3.98Å; V334-F362 HydrophobicContact CG1-CE2 4.38Å; V334-F362 HydrophobicContact CG1-CG 3.87Å; V334-F362 HydrophobicContact CG2-CB 3.83Å; V334-F362 HydrophobicContact CG2-CD1 3.65Å; V334-F362 HydrophobicContact CG2-CE1 4.35Å; V334-F362 HydrophobicContact CG2-CG 3.86Å; V334-S367 WeakPolarHBondContact CG1-O 3.4Å
335	G	95.4	Very high	96.5	Very high	15 Å²	15	43.4 Å²	43.4	16%	0.155	25%	0.252	C	S	.	.	S	Bend	trans	-64.4	141.5	-179	0	0	0	0	0	111.7	C333 S337 C338	C333-G335 VanDerWaalsContact C-N 3.33Å; C333-G335 PolarHBondContact SG-N 3Å; C333-G335 VanDerWaalsContact SG-N 3.43Å; G335-S337 PolarHBondContact O-N 3.38Å; G335-C338 VanDerWaalsContact O-CB 3.26Å; G335-C338 WeakPolarHBondContact O-CB 3.33Å; G335-C338 PolarHBondContact O-N 3.3Å
336	L	93.9	Very high	96.3	Very high	139 Å²	139	41.9 Å²	41.9	73%	0.728	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.2	124.8	-175.8	-175.4	62.8	0	0	0	111.5	C338	L336-C338 PolarHBondContact O-N 2.9Å
337	S	92.7	Very high	96.2	Very high	118 Å²	118	47.3 Å²	47.3	83%	0.825	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	22.4	-179.5	-54.5	0	0	0	0	115.1	G335 P339	G335-S337 PolarHBondContact O-N 3.38Å; S337-P339 WeakPolarHBondContact O-CD 3.21Å
338	C	96	Very high	96	Very high	18 Å²	18	47.6 Å²	47.6	12%	0.122	27%	0.271	C	S	.	.			trans	-83.3	118.8	179.9	-167.9	0	0	0	0	111	C333 G335 L336 V340 C358	C333-C338 HydrophobicContact CB-CB 4.1Å; G335-C338 VanDerWaalsContact O-CB 3.26Å; G335-C338 WeakPolarHBondContact O-CB 3.33Å; G335-C338 PolarHBondContact O-N 3.3Å; L336-C338 PolarHBondContact O-N 2.9Å; C338-V340 PolarHBondContact O-N 2.98Å; C338-C358 HydrophobicContact CB-CB 4.28Å
339	P	95	Very high	95.8	Very high	74 Å²	74	48.3 Å²	48.3	48%	0.481	27%	0.268	S	S	.	.			trans	-83	3.8	-177.6	35.3	-37.6	0	0	0	113.5	S337	S337-P339 WeakPolarHBondContact O-CD 3.21Å
340	V	97.3	Very high	95.7	Very high	7 Å²	7	47.6 Å²	47.6	4%	0.042	26%	0.264	C	S	.	.			trans	-76	137.9	-176.5	171.8	0	0	0	0	110.2	C333 C338 I342 R357	C333-V340 HydrophobicContact CB-CB 4.32Å; C333-V340 WeakPolarHBondContact CB-O 3.3Å; C333-V340 PolarHBondContact N-O 3.32Å; C338-V340 PolarHBondContact O-N 2.98Å; V340-I342 HydrophobicContact CG1-CD1 3.95Å; V340-R357 HydrophobicContact CG2-CB 3.79Å; V340-R357 HydrophobicContact CG2-CG 4.37Å
341	L	97.9	Very high	95.4	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.01	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	144.1	167.4	-66.4	98.1	0	0	0	109.9	S46 F47 R49 V52 F320 V324 R331 F332	S46-L341 CarbonylContact C-O 3.58Å; S46-L341 WeakPolarHBondContact CA-O 3.33Å; F47-L341 PolarHBondContact N-O 2.82Å; F47-L341 PolarHBondContact O-N 2.68Å; R49-L341 HydrophobicContact CB-CD1 4.4Å; V52-L341 HydrophobicContact CB-CD2 4.4Å; V52-L341 HydrophobicContact CG1-CD2 4.16Å; V52-L341 HydrophobicContact CG2-CB 3.86Å; V52-L341 HydrophobicContact CG2-CD1 4.2Å; V52-L341 HydrophobicContact CG2-CD2 4.12Å; V52-L341 HydrophobicContact CG2-CG 4.29Å; F320-L341 HydrophobicContact CE1-CD2 4.24Å; F320-L341 HydrophobicContact CZ-CD1 4.26Å; F320-L341 HydrophobicContact CZ-CD2 3.91Å; V324-L341 HydrophobicContact CB-CD2 4.22Å; V324-L341 HydrophobicContact CG1-CD2 3.6Å; V324-L341 HydrophobicContact CG2-CD2 3.55Å; R331-L341 CarbonylContact O-C 3.49Å; R331-L341 VanDerWaalsContact O-CA 3.31Å; R331-L341 WeakPolarHBondContact O-CA 3.46Å; F332-L341 HydrophobicContact CD1-CD2 4.05Å; F332-L341 HydrophobicContact CD1-CG 4.09Å; F332-L341 HydrophobicContact CE1-CD2 3.78Å; F332-L341 HydrophobicContact CE1-CG 4.18Å; F332-L341 HydrophobicContact CZ-CD2 4.27Å
342	I	97.6	Very high	95.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	126.9	177.2	-56.2	-58.3	0	0	0	108.5	Y44 L330 R331 V340 V353 F362 F364	Y44-I342 HydrophobicContact CD2-CD1 4.46Å; Y44-I342 HydrophobicContact CD2-CG2 3.74Å; Y44-I342 HydrophobicContact CG-CG2 4Å; L330-I342 CarbonylContact C-O 3.53Å; L330-I342 WeakPolarHBondContact CA-O 3.29Å; R331-I342 PolarHBondContact N-O 3.37Å; R331-I342 PolarHBondContact O-N 2.76Å; V340-I342 HydrophobicContact CG1-CD1 3.95Å; I342-V353 HydrophobicContact CB-CG1 4.38Å; I342-V353 HydrophobicContact CD1-CG1 4.13Å; I342-V353 HydrophobicContact CG1-CG1 3.87Å; I342-V353 HydrophobicContact CG2-CG1 3.8Å; I342-V353 HydrophobicContact CG2-CG2 4.22Å; I342-F362 HydrophobicContact CB-CZ 4.49Å; I342-F362 HydrophobicContact CG1-CE1 4.39Å; I342-F362 HydrophobicContact CG1-CZ 3.76Å; I342-F364 HydrophobicContact CG2-CD2 3.99Å; I342-F364 HydrophobicContact CG2-CE2 4Å
343	C	97.1	Very high	95.1	Very high	16 Å²	16	44.4 Å²	44.4	11%	0.108	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	125.7	176.8	-175.5	0	0	0	0	110.7	Y44 K45 F47 S329 L330	Y44-C343 CarbonylContact C-O 3.58Å; Y44-C343 WeakPolarHBondContact CA-O 3.16Å; Y44-C343 WeakPolarHBondContact CB-O 3.44Å; K45-C343 PolarHBondContact N-O 3.46Å; K45-C343 PolarHBondContact O-N 2.97Å; F47-C343 HydrophobicContact CD2-CB 3.45Å; F47-C343 VanDerWaalsContact CD2-CB 3.45Å; F47-C343 HydrophobicContact CE2-CB 3.48Å; F47-C343 VanDerWaalsContact CE2-CB 3.48Å; S329-C343 CarbonylContact O-C 3.25Å; S329-C343 VanDerWaalsContact O-CA 3.25Å; S329-C343 WeakPolarHBondContact O-CA 3.4Å; L330-C343 HydrophobicContact CD2-CB 3.77Å
344	A	96.6	Very high	94.9	Very high	9 Å²	9	46.3 Å²	46.3	7%	0.074	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	129.4	172.6	0	0	0	0	0	110.5	F42 S329 E346 P348 F364	F42-A344 HydrophobicContact CE1-CB 4.32Å; F42-A344 HydrophobicContact CE2-CB 4.22Å; F42-A344 HydrophobicContact CZ-CB 3.51Å; S329-A344 PolarHBondContact O-N 3.16Å; A344-E346 WeakPolarHBondContact CB-O 3.32Å; A344-P348 HydrophobicContact CB-CG 4.42Å; A344-F364 HydrophobicContact CB-CE1 4.03Å; A344-F364 HydrophobicContact CB-CE2 4.21Å; A344-F364 HydrophobicContact CB-CZ 3.69Å
345	L	95.1	Very high	94.9	Very high	109 Å²	109	43 Å²	43	57%	0.571	24%	0.238	S	C	*	.	S	Bend	trans	-93.9	-3.2	174.5	-58.8	-177.6	0	0	0	112.5	L43 K45	L43-L345 HydrophobicContact CB-CB 4.12Å; L43-L345 PolarHBondContact O-N 2.92Å; K45-L345 HydrophobicContact CB-CD1 4.1Å; K45-L345 HydrophobicContact CB-CD2 4.16Å; K45-L345 HydrophobicContact CB-CG 4.24Å
346	E	93.7	Very high	94.7	Very high	64 Å²	64	49.2 Å²	49.2	30%	0.299	26%	0.262	S	S	.	.	S	Bend	trans	-136.1	-176.6	174	65	-177.2	175.5	0	0	109.9	F42 L43 A344 P348	F42-E346 WeakPolarHBondContact CA-OE1 3.21Å; F42-E346 HydrophobicContact CD2-CG 4.03Å; F42-E346 VanDerWaalsContact CD2-OE1 3.26Å; F42-E346 WeakPolarHBondContact CD2-OE1 3.31Å; F42-E346 HydrophobicContact CE2-CG 3.94Å; L43-E346 HydrophobicContact CB-CB 4.45Å; L43-E346 HydrophobicContact CB-CG 4Å; L43-E346 PolarHBondContact N-OE1 3.36Å; A344-E346 WeakPolarHBondContact CB-O 3.32Å; E346-P348 WeakPolarHBondContact O-CD 3.4Å
347	E	93.4	Very high	94.8	Very high	140 Å²	140	48.9 Å²	48.9	65%	0.654	25%	0.252	S	S	*	.	S	Bend	trans	-55.1	125.6	178.3	-174.9	63.1	-154.6	0	0	110.8	K349	E347-K349 WeakPolarHBondContact O-CG 3.41Å; E347-K349 PolarHBondContact O-N 3.27Å
348	P	94.3	Very high	94.9	Very high	21 Å²	21	45.5 Å²	45.5	14%	0.136	23%	0.227	C	C	.	.			trans	-50.6	123.8	175.7	-34.4	40.9	0	0	0	113.5	P328 A344 E346 F364 M365	P328-P348 HydrophobicContact CB-CG 4.46Å; P328-P348 WeakPolarHBondContact O-CG 3.48Å; A344-P348 HydrophobicContact CB-CG 4.42Å; E346-P348 WeakPolarHBondContact O-CD 3.4Å; P348-F364 HydrophobicContact CB-CD1 4.36Å; P348-F364 HydrophobicContact CB-CE1 3.84Å; P348-F364 HydrophobicContact CG-CE1 4.27Å; P348-M365 HydrophobicContact CB-SD 3.9Å
349	K	92.7	Very high	94.7	Very high	68 Å²	68	48.4 Å²	48.4	30%	0.296	24%	0.239	S	C	.	.			trans	-139.2	157.4	179.4	-68.8	168.1	-163.7	167.9	0	111	E347 R351 M365	E347-K349 WeakPolarHBondContact O-CG 3.41Å; E347-K349 PolarHBondContact O-N 3.27Å; K349-R351 VanDerWaalsContact C-N 3.26Å; K349-R351 HydrophobicContact CB-CG 3.96Å; K349-R351 PolarHBondContact O-N 2.84Å; K349-M365 WeakPolarHBondContact O-CG 3.44Å
350	A	93.8	Very high	94.7	Very high	12 Å²	12	45.7 Å²	45.7	10%	0.099	22%	0.223	C	C	.	.	S	Bend	trans	-72.2	83.2	173.6	0	0	0	0	0	109.6	M365	A350-M365 HydrophobicContact CB-CB 4.2Å; A350-M365 HydrophobicContact CB-CG 4.23Å
351	R	93.4	Very high	94.4	Very high	19 Å²	19	46.7 Å²	46.7	7%	0.072	23%	0.227	C	C	.	.			trans	-132.6	161.5	-178	-66.7	-64.7	-178.6	-77.8	-1.9	111.1	P39 F42 K349 C363 F364 L597 N599	P39-R351 PolarHBondContact O-NE 3.08Å; F42-R351 HydrophobicContact CB-CB 3.42Å; F42-R351 VanDerWaalsContact CB-CB 3.42Å; F42-R351 HydrophobicContact CB-CG 3.97Å; F42-R351 HydrophobicContact CD1-CB 4.3Å; F42-R351 HydrophobicContact CD2-CB 4.2Å; F42-R351 HydrophobicContact CD2-CG 4.33Å; F42-R351 HydrophobicContact CG-CB 3.75Å; F42-R351 HydrophobicContact CG-CG 4.31Å; K349-R351 VanDerWaalsContact C-N 3.26Å; K349-R351 HydrophobicContact CB-CG 3.96Å; K349-R351 PolarHBondContact O-N 2.84Å; R351-C363 WeakPolarHBondContact O-CA 3.29Å; R351-F364 PolarHBondContact O-N 3.2Å; R351-L597 VanDerWaalsContact CZ-CD2 3.43Å; R351-N599 PolarHBondContact NH2-OD1 3.35Å; R351-N599 VanDerWaalsContact NH2-OD1 3.16Å
352	R	92.8	Very high	94.3	Very high	22 Å²	22	46.7 Å²	46.7	8%	0.083	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	132.7	-179.1	-168.7	-174.7	-65.6	-157.1	7	109.6	E361 Y370	R352-E361 IonicContact NH1-OE1 2.7Å; R352-E361 PolarHBondContact NH1-OE1 2.97Å; R352-E361 VanDerWaalsContact NH1-OE1 3.09Å; R352-E361 IonicContact NH1-OE2 2.74Å; R352-Y370 HydrophobicContact CB-CD1 3.89Å; R352-Y370 HydrophobicContact CB-CD2 3.69Å; R352-Y370 HydrophobicContact CB-CE1 4.01Å; R352-Y370 HydrophobicContact CB-CE2 3.83Å; R352-Y370 HydrophobicContact CB-CG 3.71Å; R352-Y370 HydrophobicContact CG-CD1 4.05Å; R352-Y370 HydrophobicContact CG-CD2 4.35Å; R352-Y370 HydrophobicContact CG-CG 3.91Å
353	V	94.2	Very high	94.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	136.7	169.6	168.1	0	0	0	0	107.5	F42 Y44 I342 E361 F362 F364	F42-V353 HydrophobicContact CD1-CG2 3.83Å; F42-V353 HydrophobicContact CE1-CG2 4.04Å; Y44-V353 HydrophobicContact CD1-CG2 3.96Å; Y44-V353 HydrophobicContact CD2-CG1 4.18Å; Y44-V353 HydrophobicContact CE1-CB 4.35Å; Y44-V353 HydrophobicContact CE1-CG1 4.35Å; Y44-V353 HydrophobicContact CE1-CG2 4.11Å; Y44-V353 HydrophobicContact CE2-CG1 3.86Å; Y44-V353 HydrophobicContact CG-CG2 4.26Å; I342-V353 HydrophobicContact CB-CG1 4.38Å; I342-V353 HydrophobicContact CD1-CG1 4.13Å; I342-V353 HydrophobicContact CG1-CG1 3.87Å; I342-V353 HydrophobicContact CG2-CG1 3.8Å; I342-V353 HydrophobicContact CG2-CG2 4.22Å; V353-E361 CarbonylContact O-C 3.27Å; V353-E361 VanDerWaalsContact O-CA 3.25Å; V353-E361 WeakPolarHBondContact O-CA 3.45Å; V353-F362 HydrophobicContact CB-CD1 4.49Å; V353-F362 HydrophobicContact CB-CE1 4.28Å; V353-F362 HydrophobicContact CB-CE2 4.41Å; V353-F362 HydrophobicContact CB-CZ 4.26Å; V353-F362 HydrophobicContact CG1-CD1 4.37Å; V353-F362 HydrophobicContact CG1-CE1 3.73Å; V353-F362 HydrophobicContact CG1-CE2 4.33Å; V353-F362 HydrophobicContact CG1-CZ 3.74Å; V353-F362 PolarHBondContact N-O 3.47Å; V353-F362 PolarHBondContact O-N 3.25Å; V353-F364 HydrophobicContact CG2-CB 3.79Å; V353-F364 HydrophobicContact CG2-CD2 4.07Å; V353-F364 HydrophobicContact CG2-CG 4.4Å
354	Q	94	Very high	94.2	Very high	51 Å²	51	45.9 Å²	45.9	24%	0.238	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	125.9	168.9	-171.7	179.1	8.8	0	0	109.4	Y44 A360 E361	Y44-Q354 PolarHBondContact OH-N 3.1Å; Y44-Q354 PolarHBondContact OH-O 2.75Å; Q354-A360 WeakPolarHBondContact CA-O 3.48Å; Q354-E361 HydrophobicContact CB-CG 4.31Å; Q354-E361 HydrophobicContact CG-CG 4.04Å
355	C	95.1	Very high	94.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.237	C	C	.	.			trans	-72.1	129.7	177	-176.4	0	0	0	0	111.1	C333 R357 H359 A360	C333-C355 VanDerWaalsContact SG-CB 3.56Å; C355-R357 PolarHBondContact O-N 3.08Å; C355-R357 PolarHBondContact SG-N 3.46Å; C355-H359 WeakPolarHBondContact O-CA 3.36Å; C355-H359 PolarHBondContact O-N 2.9Å; C355-A360 PolarHBondContact N-O 2.71Å
356	E	92.6	Very high	94.1	Very high	144 Å²	144	46 Å²	46	67%	0.673	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-19.6	178.1	-64.8	176.6	176.4	0	0	113.2
357	R	94.8	Very high	94.2	Very high	133 Å²	133	45 Å²	45	50%	0.502	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-48.7	-177.3	-176.2	-177.3	-70.7	-141.1	1.4	113.2	E48 V340 C355	E48-R357 IonicContact OE1-NH2 3.78Å; E48-R357 PolarHBondContact OE1-NH2 2.65Å; V340-R357 HydrophobicContact CG2-CB 3.79Å; V340-R357 HydrophobicContact CG2-CG 4.37Å; C355-R357 PolarHBondContact O-N 3.08Å; C355-R357 PolarHBondContact SG-N 3.46Å
358	C	95.5	Very high	94.3	Very high	46 Å²	46	43.1 Å²	43.1	31%	0.311	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.4	3.5	-174.6	68.4	0	0	0	0	113.6	C333 C338 A360	C333-C358 PolarHBondContact SG-SG 2.91Å; C338-C358 HydrophobicContact CB-CB 4.28Å; C358-A360 PolarHBondContact O-N 3.25Å
359	H	92.4	Very high	94.2	Very high	80 Å²	80	42.8 Å²	42.8	37%	0.37	21%	0.213	S	C	.	.			trans	61.1	1.4	177.3	-54.5	-58.2	0	0	0	117	C355 E361	C355-H359 WeakPolarHBondContact O-CA 3.36Å; C355-H359 PolarHBondContact O-N 2.9Å; H359-E361 PolarHBondContact O-N 3.37Å
360	A	93.8	Very high	94.3	Very high	17 Å²	17	39.7 Å²	39.7	14%	0.14	20%	0.2	C	C	.	.			trans	-54.9	132.6	173.5	0	0	0	0	0	111.7	V334 Q354 C355 C358	V334-A360 HydrophobicContact CG2-CB 4.1Å; Q354-A360 WeakPolarHBondContact CA-O 3.48Å; C355-A360 PolarHBondContact N-O 2.71Å; C358-A360 PolarHBondContact O-N 3.25Å
361	E	92.6	Very high	94.3	Very high	28 Å²	28	39.3 Å²	39.3	13%	0.131	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	131.8	178.3	-63.2	-172.6	115.3	0	0	110.7	R352 V353 Q354 H359 R524	R352-E361 IonicContact NH1-OE1 2.7Å; R352-E361 PolarHBondContact NH1-OE1 2.97Å; R352-E361 VanDerWaalsContact NH1-OE1 3.09Å; R352-E361 IonicContact NH1-OE2 2.74Å; V353-E361 CarbonylContact O-C 3.27Å; V353-E361 VanDerWaalsContact O-CA 3.25Å; V353-E361 WeakPolarHBondContact O-CA 3.45Å; Q354-E361 HydrophobicContact CB-CG 4.31Å; Q354-E361 HydrophobicContact CG-CG 4.04Å; H359-E361 PolarHBondContact O-N 3.37Å; E361-R524 IonicContact OE2-NH1 2.91Å; E361-R524 IonicContact OE2-NH2 2.71Å
362	F	95.6	Very high	94.3	Very high	1 Å²	1	38.5 Å²	38.5	0%	0.004	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	167.7	-179.3	62.1	-81.1	0	0	0	113	V334 I342 V353 E368	V334-F362 HydrophobicContact CG1-CB 4.11Å; V334-F362 HydrophobicContact CG1-CD1 4.23Å; V334-F362 HydrophobicContact CG1-CD2 3.98Å; V334-F362 HydrophobicContact CG1-CE2 4.38Å; V334-F362 HydrophobicContact CG1-CG 3.87Å; V334-F362 HydrophobicContact CG2-CB 3.83Å; V334-F362 HydrophobicContact CG2-CD1 3.65Å; V334-F362 HydrophobicContact CG2-CE1 4.35Å; V334-F362 HydrophobicContact CG2-CG 3.86Å; I342-F362 HydrophobicContact CB-CZ 4.49Å; I342-F362 HydrophobicContact CG1-CE1 4.39Å; I342-F362 HydrophobicContact CG1-CZ 3.76Å; V353-F362 HydrophobicContact CB-CD1 4.49Å; V353-F362 HydrophobicContact CB-CE1 4.28Å; V353-F362 HydrophobicContact CB-CE2 4.41Å; V353-F362 HydrophobicContact CB-CZ 4.26Å; V353-F362 HydrophobicContact CG1-CD1 4.37Å; V353-F362 HydrophobicContact CG1-CE1 3.73Å; V353-F362 HydrophobicContact CG1-CE2 4.33Å; V353-F362 HydrophobicContact CG1-CZ 3.74Å; V353-F362 PolarHBondContact N-O 3.47Å; V353-F362 PolarHBondContact O-N 3.25Å; F362-E368 CarbonylContact C-O 3.59Å; F362-E368 WeakPolarHBondContact CA-O 3.28Å; F362-E368 WeakPolarHBondContact CB-O 3.24Å
363	C	95.7	Very high	94.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	123.4	170.9	179.6	0	0	0	0	110.5	R351 M365 S367 E368 H371 C376	R351-C363 WeakPolarHBondContact O-CA 3.29Å; C363-M365 PolarHBondContact O-N 3.2Å; C363-S367 WeakPolarHBondContact O-CA 3.34Å; C363-S367 PolarHBondContact O-N 2.83Å; C363-E368 PolarHBondContact N-O 3.42Å; C363-H371 PolarHBondContact SG-NE2 3.23Å; C363-C376 VanDerWaalsContact SG-SG 3.61Å
364	F	96.2	Very high	94.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-38.2	178.6	-177.6	-97.9	0	0	0	113.2	F42 S329 R331 I342 A344 P348 R351 V353	F42-F364 HydrophobicContact CD1-CB 4.29Å; F42-F364 HydrophobicContact CD1-CG 4.46Å; F42-F364 HydrophobicContact CE1-CB 3.68Å; F42-F364 AromaticContact CE1-CD1 3.96Å; F42-F364 HydrophobicContact CE1-CD1 3.96Å; F42-F364 AromaticContact CE1-CD2 3.57Å; F42-F364 HydrophobicContact CE1-CD2 3.57Å; F42-F364 HydrophobicContact CE1-CE2 4.2Å; F42-F364 AromaticContact CE1-CG 3.42Å; F42-F364 HydrophobicContact CE1-CG 3.42Å; F42-F364 VanDerWaalsContact CE1-CG 3.42Å; F42-F364 HydrophobicContact CZ-CB 4.2Å; F42-F364 AromaticContact CZ-CD1 3.7Å; F42-F364 HydrophobicContact CZ-CD1 3.7Å; F42-F364 HydrophobicContact CZ-CD2 4.07Å; F42-F364 HydrophobicContact CZ-CE1 4.1Å; F42-F364 HydrophobicContact CZ-CE2 4.41Å; F42-F364 AromaticContact CZ-CG 3.69Å; F42-F364 HydrophobicContact CZ-CG 3.69Å; F42-F364 HydrophobicContact CZ-CZ 4.43Å; S329-F364 WeakPolarHBondContact O-CZ 3.48Å; R331-F364 HydrophobicContact CB-CE2 4.22Å; R331-F364 WeakPolarHBondContact CD-O 3.24Å; R331-F364 HydrophobicContact CG-CD2 3.91Å; R331-F364 HydrophobicContact CG-CE1 4.39Å; R331-F364 HydrophobicContact CG-CE2 3.66Å; R331-F364 HydrophobicContact CG-CG 4.4Å; R331-F364 HydrophobicContact CG-CZ 3.9Å; R331-F364 WeakPolarHBondContact CG-O 3.43Å; R331-F364 PolarHBondContact NE-O 2.68Å; I342-F364 HydrophobicContact CG2-CD2 3.99Å; I342-F364 HydrophobicContact CG2-CE2 4Å; A344-F364 HydrophobicContact CB-CE1 4.03Å; A344-F364 HydrophobicContact CB-CE2 4.21Å; A344-F364 HydrophobicContact CB-CZ 3.69Å; P348-F364 HydrophobicContact CB-CD1 4.36Å; P348-F364 HydrophobicContact CB-CE1 3.84Å; P348-F364 HydrophobicContact CG-CE1 4.27Å; R351-F364 PolarHBondContact O-N 3.2Å; V353-F364 HydrophobicContact CG2-CB 3.79Å; V353-F364 HydrophobicContact CG2-CD2 4.07Å; V353-F364 HydrophobicContact CG2-CG 4.4Å
365	M	95.1	Very high	94.3	Very high	81 Å²	81	36.5 Å²	36.5	40%	0.399	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-43.4	-172	-79.8	-65.5	-73.3	0	0	113.7	P348 K349 A350 C363	P348-M365 HydrophobicContact CB-SD 3.9Å; K349-M365 WeakPolarHBondContact O-CG 3.44Å; A350-M365 HydrophobicContact CB-CB 4.2Å; A350-M365 HydrophobicContact CB-CG 4.23Å; C363-M365 PolarHBondContact O-N 3.2Å
366	C	95.5	Very high	94.3	Very high	40 Å²	40	37.9 Å²	37.9	27%	0.27	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-6.4	-174.5	63.5	0	0	0	0	114.9	E368 H371 C376	C366-E368 HydrophobicContact CB-CG 4.3Å; C366-E368 PolarHBondContact O-N 3.19Å; C366-E368 VanDerWaalsContact O-N 3.13Å; C366-H371 PolarHBondContact SG-NE2 3.33Å; C366-C376 HydrophobicContact CB-CB 3.89Å
367	S	95.7	Very high	94.4	Very high	43 Å²	43	33.8 Å²	33.8	30%	0.301	19%	0.188	S	C	.	.	S	Bend	trans	57.4	20.8	-175.6	-60.6	0	0	0	0	114.6	V334 C363	V334-S367 WeakPolarHBondContact CG1-O 3.4Å; C363-S367 WeakPolarHBondContact O-CA 3.34Å; C363-S367 PolarHBondContact O-N 2.83Å
368	E	94.8	Very high	94.4	Very high	99 Å²	99	28.8 Å²	28.8	46%	0.463	17%	0.172	S	C	.	.	S	Bend	trans	-91.4	171.7	168.4	-62.2	-65.4	168.3	0	0	110.1	F362 C363 C366 Y370 L379	F362-E368 CarbonylContact C-O 3.59Å; F362-E368 WeakPolarHBondContact CA-O 3.28Å; F362-E368 WeakPolarHBondContact CB-O 3.24Å; C363-E368 PolarHBondContact N-O 3.42Å; C366-E368 HydrophobicContact CB-CG 4.3Å; C366-E368 PolarHBondContact O-N 3.19Å; C366-E368 VanDerWaalsContact O-N 3.13Å; E368-Y370 PolarHBondContact O-N 3.32Å; E368-L379 HydrophobicContact CB-CD2 3.95Å; E368-L379 HydrophobicContact CG-CD2 4.36Å
369	A	92.6	Very high	94.4	Very high	15 Å²	15	26.8 Å²	26.8	12%	0.124	16%	0.159	C	C	.	.	S	Bend	trans	-46.5	136.5	165.3	0	0	0	0	0	110.5	H371	A369-H371 PolarHBondContact O-CD2 3.26Å
370	Y	93.9	Very high	94.6	Very high	3 Å²	3	30 Å²	30	1%	0.012	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-58.1	142	-179.7	177.2	-112.5	0	0	0	110.8	E40 R352 E368 A372 Y528 Y532	E40-Y370 WeakPolarHBondContact CB-OH 3.49Å; E40-Y370 VanDerWaalsContact CD-OH 3.27Å; E40-Y370 VanDerWaalsContact CG-OH 3.25Å; E40-Y370 WeakPolarHBondContact CG-OH 3.47Å; E40-Y370 WeakPolarHBondContact OE1-CE1 3.33Å; E40-Y370 VanDerWaalsContact OE1-CZ 3.29Å; E40-Y370 PolarHBondContact OE1-OH 2.91Å; R352-Y370 HydrophobicContact CB-CD1 3.89Å; R352-Y370 HydrophobicContact CB-CD2 3.69Å; R352-Y370 HydrophobicContact CB-CE1 4.01Å; R352-Y370 HydrophobicContact CB-CE2 3.83Å; R352-Y370 HydrophobicContact CB-CG 3.71Å; R352-Y370 HydrophobicContact CG-CD1 4.05Å; R352-Y370 HydrophobicContact CG-CD2 4.35Å; R352-Y370 HydrophobicContact CG-CG 3.91Å; E368-Y370 PolarHBondContact O-N 3.32Å; Y370-A372 HydrophobicContact CE1-CB 3.88Å; Y370-A372 HydrophobicContact CE2-CB 4.11Å; Y370-A372 VanDerWaalsContact CZ-CB 3.46Å; Y370-A372 WeakPolarHBondContact OH-CB 3.21Å; Y370-Y528 HydrophobicContact CD1-CE1 4.01Å; Y370-Y528 PolarHBondContact N-OH 3.29Å; Y370-Y528 WeakPolarHBondContact O-CE1 3.29Å; Y370-Y528 PolarHBondContact O-OH 2.9Å; Y370-Y532 WeakPolarHBondContact O-CE2 3.44Å
371	H	94.6	Very high	94.7	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.019	19%	0.19	C	C	.	.			trans	-146.3	30.7	-159.1	57.1	64.6	0	0	0	113.9	C363 C366 A369 T374 C376 L379 Y532	C363-H371 PolarHBondContact SG-NE2 3.23Å; C366-H371 PolarHBondContact SG-NE2 3.33Å; A369-H371 PolarHBondContact O-CD2 3.26Å; H371-T374 PolarHBondContact CE1-O 3.07Å; H371-T374 VanDerWaalsContact CE1-O 3.25Å; H371-T374 PolarHBondContact ND1-O 3.14Å; H371-T374 CarbonylContact O-C 3.56Å; H371-T374 WeakPolarHBondContact O-CA 3.27Å; H371-T374 WeakPolarHBondContact O-CB 3.33Å; H371-T374 PolarHBondContact O-N 2.97Å; H371-T374 VanDerWaalsContact O-O 3.05Å; H371-C376 PolarHBondContact CE1-N 3.15Å; H371-C376 PolarHBondContact CE1-SG 3.42Å; H371-C376 PolarHBondContact NE2-SG 3.31Å; H371-L379 HydrophobicContact CB-CD2 3.74Å; H371-L379 WeakPolarHBondContact CD2-CD2 3.44Å; H371-Y532 HydrophobicContact CB-CD1 3.51Å; H371-Y532 HydrophobicContact CB-CD2 4.24Å; H371-Y532 HydrophobicContact CB-CE1 3.63Å; H371-Y532 HydrophobicContact CB-CE2 4.36Å; H371-Y532 HydrophobicContact CB-CG 3.83Å; H371-Y532 WeakPolarHBondContact O-CB 3.5Å
372	A	93	Very high	94.8	Very high	2 Å²	2	33.3 Å²	33.3	2%	0.017	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	141.3	176.4	0	0	0	0	0	112	Y370 L593 L597	Y370-A372 HydrophobicContact CE1-CB 3.88Å; Y370-A372 HydrophobicContact CE2-CB 4.11Å; Y370-A372 VanDerWaalsContact CZ-CB 3.46Å; Y370-A372 WeakPolarHBondContact OH-CB 3.21Å; A372-L593 HydrophobicContact CB-CD2 3.56Å; A372-L597 HydrophobicContact CB-CD1 3.6Å
373	P	93	Very high	94.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	cis	-89.1	3.9	5.8	39.1	-41.6	0	0	0	114.6	T533 H536 F549 L592 L593 F596	P373-T533 HydrophobicContact CG-CG2 4.13Å; P373-H536 PolarHBondContact O-ND1 3.26Å; P373-F549 HydrophobicContact CG-CE2 4.18Å; P373-L592 HydrophobicContact CB-CD2 4.14Å; P373-L592 HydrophobicContact CG-CD2 3.73Å; P373-L593 HydrophobicContact CB-CD2 4.49Å; P373-F596 HydrophobicContact CB-CB 4.27Å
374	T	93.7	Very high	94.6	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.012	21%	0.214	C	C	.	.	S	Bend	trans	-64.3	139.6	179.8	-79.6	0	0	0	0	110.9	H371 T378 L379 Y532 P535 H536	H371-T374 PolarHBondContact CE1-O 3.07Å; H371-T374 VanDerWaalsContact CE1-O 3.25Å; H371-T374 PolarHBondContact ND1-O 3.14Å; H371-T374 CarbonylContact O-C 3.56Å; H371-T374 WeakPolarHBondContact O-CA 3.27Å; H371-T374 WeakPolarHBondContact O-CB 3.33Å; H371-T374 PolarHBondContact O-N 2.97Å; H371-T374 VanDerWaalsContact O-O 3.05Å; T374-T378 HydrophobicContact CG2-CG2 3.8Å; T374-L379 HydrophobicContact CG2-CB 3.82Å; T374-Y532 PolarHBondContact OG1-O 3.42Å; T374-P535 HydrophobicContact CG2-CB 4.2Å; T374-H536 WeakPolarHBondContact OG1-CB 3.37Å; T374-H536 PolarHBondContact OG1-N 3.43Å; T374-H536 VanDerWaalsContact OG1-N 3.14Å
375	S	94	Very high	94.3	Very high	28 Å²	28	41.1 Å²	41.1	20%	0.196	22%	0.224	C	C	.	.			trans	-76.1	155.5	173.5	80.4	0	0	0	0	111.6	A377 T378 L379 T598	S375-A377 PolarHBondContact O-N 3.21Å; S375-T378 PolarHBondContact O-N 2.96Å; S375-T378 VanDerWaalsContact O-N 3.1Å; S375-T378 WeakPolarHBondContact OG-CB 3.48Å; S375-T378 PolarHBondContact OG-N 3.1Å; S375-T378 VanDerWaalsContact OG-N 3.08Å; S375-T378 PolarHBondContact OG-OG1 2.71Å; S375-L379 PolarHBondContact O-N 2.88Å; S375-T598 WeakPolarHBondContact CB-OG1 3.45Å
376	C	95.8	Very high	94.1	Very high	29 Å²	29	38.3 Å²	38.3	20%	0.196	21%	0.213	C	C	.	.	H	α-helix	trans	-55.9	-38.7	176.7	-61.3	0	0	0	0	112.4	C363 C366 H371 K380	C363-C376 VanDerWaalsContact SG-SG 3.61Å; C366-C376 HydrophobicContact CB-CB 3.89Å; H371-C376 PolarHBondContact CE1-N 3.15Å; H371-C376 PolarHBondContact CE1-SG 3.42Å; H371-C376 PolarHBondContact NE2-SG 3.31Å; C376-K380 WeakPolarHBondContact O-CB 3.35Å; C376-K380 PolarHBondContact O-N 3.01Å
377	A	94.9	Very high	93.6	Very high	58 Å²	58	44 Å²	44	48%	0.479	23%	0.229	S	C	.	.	H	α-helix	trans	-64.7	-47.5	178	0	0	0	0	0	110.9	S375 K380 H381	S375-A377 PolarHBondContact O-N 3.21Å; A377-K380 PolarHBondContact O-N 3.45Å; A377-H381 PolarHBondContact O-N 2.98Å; A377-H381 VanDerWaalsContact O-N 3.15Å; A377-H381 PolarHBondContact O-ND1 2.88Å
378	T	95	Very high	93.1	Very high	28 Å²	28	46.9 Å²	46.9	17%	0.172	24%	0.241	C	C	.	.	H	α-helix	trans	-61.5	-44.3	177.5	-59	0	0	0	0	111.5	T374 S375 K380 H381 W382 P535 Y539	T374-T378 HydrophobicContact CG2-CG2 3.8Å; S375-T378 PolarHBondContact O-N 2.96Å; S375-T378 VanDerWaalsContact O-N 3.1Å; S375-T378 WeakPolarHBondContact OG-CB 3.48Å; S375-T378 PolarHBondContact OG-N 3.1Å; S375-T378 VanDerWaalsContact OG-N 3.08Å; S375-T378 PolarHBondContact OG-OG1 2.71Å; T378-K380 VanDerWaalsContact C-N 3.34Å; T378-K380 PolarHBondContact O-N 3.35Å; T378-H381 PolarHBondContact O-N 3.3Å; T378-W382 WeakPolarHBondContact O-CB 3.27Å; T378-W382 PolarHBondContact O-N 2.62Å; T378-P535 HydrophobicContact CG2-CB 4.49Å; T378-P535 WeakPolarHBondContact CG2-O 3.36Å; T378-Y539 HydrophobicContact CG2-CD2 3.66Å; T378-Y539 HydrophobicContact CG2-CG 4.13Å
379	L	95.6	Very high	92.4	Very high	5 Å²	5	43.9 Å²	43.9	3%	0.026	23%	0.228	C	C	.	.	H	α-helix	trans	-59.2	-46.6	176.3	179	65.2	0	0	0	111	E368 H371 T374 S375 H381 W382 L383 Y532	E368-L379 HydrophobicContact CB-CD2 3.95Å; E368-L379 HydrophobicContact CG-CD2 4.36Å; H371-L379 HydrophobicContact CB-CD2 3.74Å; H371-L379 WeakPolarHBondContact CD2-CD2 3.44Å; T374-L379 HydrophobicContact CG2-CB 3.82Å; S375-L379 PolarHBondContact O-N 2.88Å; L379-H381 VanDerWaalsContact C-N 3.32Å; L379-H381 PolarHBondContact O-N 2.86Å; L379-W382 WeakPolarHBondContact O-CA 3.42Å; L379-W382 WeakPolarHBondContact O-CB 3.48Å; L379-W382 PolarHBondContact O-N 3.27Å; L379-L383 HydrophobicContact CD1-CD1 4.08Å; L379-L383 HydrophobicContact CD1-CD2 4.26Å; L379-L383 HydrophobicContact CD1-CG 3.91Å; L379-L383 HydrophobicContact CD2-CD1 4.24Å; L379-L383 HydrophobicContact CG-CD1 3.85Å; L379-L383 HydrophobicContact CG-CG 4.1Å; L379-L383 WeakPolarHBondContact O-CG 3.25Å; L379-L383 PolarHBondContact O-N 3.07Å; L379-Y532 HydrophobicContact CD1-CD1 4.07Å; L379-Y532 HydrophobicContact CD1-CE1 3.73Å
380	K	96	Very high	91.1	Very high	148 Å²	148	47.3 Å²	47.3	64%	0.643	25%	0.251	S	S	*	.	H	α-helix	trans	-57	-45.1	179	-176.4	176.6	-178.8	174.3	0	112.1	C376 A377 T378 W382 V384	C376-K380 WeakPolarHBondContact O-CB 3.35Å; C376-K380 PolarHBondContact O-N 3.01Å; A377-K380 PolarHBondContact O-N 3.45Å; T378-K380 VanDerWaalsContact C-N 3.34Å; T378-K380 PolarHBondContact O-N 3.35Å; K380-W382 VanDerWaalsContact C-N 3.33Å; K380-V384 VanDerWaalsContact O-CG2 3.3Å; K380-V384 WeakPolarHBondContact O-CG2 3.45Å; K380-V384 PolarHBondContact O-N 3.06Å
381	H	95.2	Very high	89.4	Confident	113 Å²	113	50.8 Å²	50.8	52%	0.523	29%	0.288	S	S	.	.	H	α-helix	trans	-65.6	-37.8	176.4	-65.8	100	0	0	0	112	A377 T378 L379 K385 Y539	A377-H381 PolarHBondContact O-N 2.98Å; A377-H381 VanDerWaalsContact O-N 3.15Å; A377-H381 PolarHBondContact O-ND1 2.88Å; T378-H381 PolarHBondContact O-N 3.3Å; L379-H381 VanDerWaalsContact C-N 3.32Å; L379-H381 PolarHBondContact O-N 2.86Å; H381-K385 VanDerWaalsContact O-CB 3.31Å; H381-K385 WeakPolarHBondContact O-CB 3.4Å; H381-K385 PolarHBondContact O-N 2.86Å; H381-Y539 HydrophobicContact CB-CE1 4.16Å; H381-Y539 HydrophobicContact CB-CE2 3.94Å; H381-Y539 PolarHBondContact O-OH 3.5Å
382	W	94.9	Very high	87.4	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-61.8	-50.5	175.5	-177.4	-99.7	0	0	0	111.9	T378 L379 K380 V384 K385 C386 Y471 Y475 W478 P535 F538 Y539	T378-W382 WeakPolarHBondContact O-CB 3.27Å; T378-W382 PolarHBondContact O-N 2.62Å; L379-W382 WeakPolarHBondContact O-CA 3.42Å; L379-W382 WeakPolarHBondContact O-CB 3.48Å; L379-W382 PolarHBondContact O-N 3.27Å; K380-W382 VanDerWaalsContact C-N 3.33Å; W382-V384 PolarHBondContact O-N 3.13Å; W382-K385 WeakPolarHBondContact O-CB 3.3Å; W382-K385 PolarHBondContact O-N 3.46Å; W382-K385 VanDerWaalsContact O-N 3.13Å; W382-C386 PolarHBondContact NE1-SG 3.29Å; W382-C386 VanDerWaalsContact NE1-SG 3.45Å; W382-C386 PolarHBondContact O-N 3.47Å; W382-C386 PolarHBondContact O-SG 2.93Å; W382-Y471 HydrophobicContact CH2-CD2 4.29Å; W382-Y471 HydrophobicContact CH2-CE2 4.05Å; W382-Y471 HydrophobicContact CZ3-CD2 4.18Å; W382-Y471 HydrophobicContact CZ3-CE2 4.1Å; W382-Y475 HydrophobicContact CZ2-CD2 4.35Å; W382-W478 HydrophobicContact CZ2-CB 3.87Å; W382-W478 HydrophobicContact CZ2-CD2 4.33Å; W382-W478 AromaticContact CZ2-CG 3.96Å; W382-W478 HydrophobicContact CZ2-CG 3.96Å; W382-W478 AromaticContact NE1-CD1 3.73Å; W382-W478 AromaticContact NE1-CD2 3.59Å; W382-W478 AromaticContact NE1-CE2 3.57Å; W382-W478 AromaticContact NE1-CG 3.75Å; W382-W478 AromaticContact NE1-NE1 3.64Å; W382-P535 HydrophobicContact CB-CB 3.91Å; W382-P535 HydrophobicContact CB-CG 4.4Å; W382-P535 HydrophobicContact CD2-CB 3.76Å; W382-P535 HydrophobicContact CD2-CG 3.74Å; W382-P535 HydrophobicContact CE3-CB 4.11Å; W382-P535 HydrophobicContact CE3-CG 4.41Å; W382-P535 HydrophobicContact CG-CB 3.66Å; W382-P535 HydrophobicContact CG-CG 3.69Å; W382-F538 HydrophobicContact CE3-CB 4.27Å; W382-F538 HydrophobicContact CE3-CD1 4.08Å; W382-F538 HydrophobicContact CE3-CG 4.18Å; W382-F538 HydrophobicContact CZ3-CB 3.78Å; W382-F538 AromaticContact CZ3-CD1 3.93Å; W382-F538 HydrophobicContact CZ3-CD1 3.93Å; W382-F538 AromaticContact CZ3-CD2 4Å; W382-F538 HydrophobicContact CZ3-CD2 4Å; W382-F538 AromaticContact CZ3-CG 3.62Å; W382-F538 HydrophobicContact CZ3-CG 3.62Å; W382-Y539 HydrophobicContact CB-CE2 4.06Å; W382-Y539 HydrophobicContact CE3-CE2 4.08Å
383	L	93.5	Very high	85.3	Confident	61 Å²	61	57 Å²	57	32%	0.319	33%	0.332	S	S	.	.	H	α-helix	trans	-63.9	-41.1	-179.5	-65.5	176.9	0	0	0	112.6	L379 K385 C386 R387	L379-L383 HydrophobicContact CD1-CD1 4.08Å; L379-L383 HydrophobicContact CD1-CD2 4.26Å; L379-L383 HydrophobicContact CD1-CG 3.91Å; L379-L383 HydrophobicContact CD2-CD1 4.24Å; L379-L383 HydrophobicContact CG-CD1 3.85Å; L379-L383 HydrophobicContact CG-CG 4.1Å; L379-L383 WeakPolarHBondContact O-CG 3.25Å; L379-L383 PolarHBondContact O-N 3.07Å; L383-K385 VanDerWaalsContact C-N 3.31Å; L383-K385 PolarHBondContact O-N 3.36Å; L383-C386 PolarHBondContact O-N 2.98Å; L383-R387 PolarHBondContact O-N 3.16Å
384	V	93.2	Very high	83.5	Confident	53 Å²	53	58 Å²	58	32%	0.321	34%	0.338	S	S	.	.	H	α-helix	trans	-59.8	-44.6	172.8	169.5	0	0	0	0	110.5	K380 W382 R387 D388	K380-V384 VanDerWaalsContact O-CG2 3.3Å; K380-V384 WeakPolarHBondContact O-CG2 3.45Å; K380-V384 PolarHBondContact O-N 3.06Å; W382-V384 PolarHBondContact O-N 3.13Å; V384-R387 PolarHBondContact O-N 3.01Å; V384-D388 WeakPolarHBondContact CG1-OD2 3.43Å; V384-D388 WeakPolarHBondContact O-CB 3.31Å; V384-D388 PolarHBondContact O-N 3.49Å
385	K	90.9	Very high	81.5	Confident	51 Å²	51	65.5 Å²	65.5	22%	0.222	37%	0.367	C	S	.	.	H	α-helix	trans	-62.3	-44.9	177.4	-173.6	167.4	179	50.6	0	112.3	H381 W382 L383 R387 D388 D389 Y471 F538	H381-K385 VanDerWaalsContact O-CB 3.31Å; H381-K385 WeakPolarHBondContact O-CB 3.4Å; H381-K385 PolarHBondContact O-N 2.86Å; W382-K385 WeakPolarHBondContact O-CB 3.3Å; W382-K385 PolarHBondContact O-N 3.46Å; W382-K385 VanDerWaalsContact O-N 3.13Å; L383-K385 VanDerWaalsContact C-N 3.31Å; L383-K385 PolarHBondContact O-N 3.36Å; K385-R387 VanDerWaalsContact C-N 3.29Å; K385-R387 PolarHBondContact O-N 2.74Å; K385-D388 PolarHBondContact O-N 3.16Å; K385-D389 WeakPolarHBondContact CE-OD2 3.05Å; K385-D389 VanDerWaalsContact CG-OD2 3.24Å; K385-D389 WeakPolarHBondContact CG-OD2 3.14Å; K385-D389 IonicContact NZ-OD2 2.76Å; K385-D389 PolarHBondContact NZ-OD2 3.11Å; K385-D389 WeakPolarHBondContact O-CB 3.44Å; K385-D389 PolarHBondContact O-N 2.94Å; K385-Y471 HydrophobicContact CD-CD2 3.82Å; K385-Y471 HydrophobicContact CD-CE2 3.79Å; K385-Y471 HydrophobicContact CD-CG 4.44Å; K385-Y471 HydrophobicContact CG-CD2 4.33Å; K385-Y471 HydrophobicContact CG-CE2 3.82Å; K385-F538 HydrophobicContact CD-CE1 4.05Å; K385-F538 HydrophobicContact CD-CZ 4.01Å
386	C	89.6	Confident	79.3	Confident	23 Å²	23	71 Å²	71	16%	0.155	39%	0.391	C	S	.	.	H	α-helix	trans	-58	-42.5	175.7	-66.1	0	0	0	0	112.1	W382 L383 S390 Y471 Y475	W382-C386 PolarHBondContact NE1-SG 3.29Å; W382-C386 VanDerWaalsContact NE1-SG 3.45Å; W382-C386 PolarHBondContact O-N 3.47Å; W382-C386 PolarHBondContact O-SG 2.93Å; L383-C386 PolarHBondContact O-N 2.98Å; C386-S390 PolarHBondContact O-N 3.3Å; C386-Y471 WeakPolarHBondContact CA-OH 3.26Å; C386-Y475 HydrophobicContact CB-CE2 4.42Å
387	R	86.3	Confident	77.4	Confident	160 Å²	160	73.1 Å²	73.1	60%	0.604	40%	0.403	S	S	*	.	H	α-helix	trans	-66.7	-48.4	178.2	-176.1	-171.8	63.8	-157.2	-4.1	111.9	L383 V384 K385 D389 S390	L383-R387 PolarHBondContact O-N 3.16Å; V384-R387 PolarHBondContact O-N 3.01Å; K385-R387 VanDerWaalsContact C-N 3.29Å; K385-R387 PolarHBondContact O-N 2.74Å; R387-D389 VanDerWaalsContact C-N 3.35Å; R387-D389 PolarHBondContact O-N 3.08Å; R387-S390 WeakPolarHBondContact O-CB 3.39Å; R387-S390 PolarHBondContact O-N 3.09Å; R387-S390 PolarHBondContact O-OG 3.49Å
388	D	84.6	Confident	75.7	Confident	103 Å²	103	70.6 Å²	70.6	55%	0.551	38%	0.383	S	S	*	.	H	α-helix	trans	-72.7	-28.1	-173.4	-62.5	-3.6	0	0	0	112	V384 K385	V384-D388 WeakPolarHBondContact CG1-OD2 3.43Å; V384-D388 WeakPolarHBondContact O-CB 3.31Å; V384-D388 PolarHBondContact O-N 3.49Å; K385-D388 PolarHBondContact O-N 3.16Å
389	D	80.1	Confident	74.4	Confident	35 Å²	35	72 Å²	72	19%	0.187	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	1	178.5	-69.9	-29.8	0	0	0	114	K385 R387 G391 T392 N394 Y471	K385-D389 WeakPolarHBondContact CE-OD2 3.05Å; K385-D389 VanDerWaalsContact CG-OD2 3.24Å; K385-D389 WeakPolarHBondContact CG-OD2 3.14Å; K385-D389 IonicContact NZ-OD2 2.76Å; K385-D389 PolarHBondContact NZ-OD2 3.11Å; K385-D389 WeakPolarHBondContact O-CB 3.44Å; K385-D389 PolarHBondContact O-N 2.94Å; R387-D389 VanDerWaalsContact C-N 3.35Å; R387-D389 PolarHBondContact O-N 3.08Å; D389-G391 PolarHBondContact O-N 2.88Å; D389-G391 VanDerWaalsContact O-N 3.11Å; D389-T392 PolarHBondContact O-N 2.99Å; D389-N394 PolarHBondContact O-ND2 2.98Å; D389-N394 VanDerWaalsContact O-ND2 3.16Å; D389-Y471 HydrophobicContact CB-CE1 3.83Å; D389-Y471 VanDerWaalsContact OD2-CE1 3.23Å; D389-Y471 WeakPolarHBondContact OD2-CE1 3.28Å
390	S	65.3	Low	73.7	Confident	88 Å²	88	74.8 Å²	74.8	62%	0.615	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-27.9	-177.3	56.6	0	0	0	0	114.2	C386 R387 T392	C386-S390 PolarHBondContact O-N 3.3Å; R387-S390 WeakPolarHBondContact O-CB 3.39Å; R387-S390 PolarHBondContact O-N 3.09Å; R387-S390 PolarHBondContact O-OG 3.49Å; S390-T392 VanDerWaalsContact C-N 3.33Å; S390-T392 PolarHBondContact O-N 2.93Å
391	G	57.8	Low	73.3	Confident	76 Å²	76	69.1 Å²	69.1	78%	0.784	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-14.5	177.4	0	0	0	0	0	115.5	D389 A393	D389-G391 PolarHBondContact O-N 2.88Å; D389-G391 VanDerWaalsContact O-N 3.11Å; G391-A393 PolarHBondContact O-N 2.86Å; G391-A393 VanDerWaalsContact O-N 3.15Å
392	T	54.1	Low	73.1	Confident	68 Å²	68	68.2 Å²	68.2	42%	0.417	38%	0.379	S	S	.	.	S	Bend	trans	-89.7	64.6	-178.1	-49.2	0	0	0	0	111	D389 S390 N394 M472	D389-T392 PolarHBondContact O-N 2.99Å; S390-T392 VanDerWaalsContact C-N 3.33Å; S390-T392 PolarHBondContact O-N 2.93Å; T392-N394 VanDerWaalsContact O-CG 3.26Å; T392-N394 PolarHBondContact O-N 3.09Å; T392-N394 PolarHBondContact O-OD1 3.3Å; T392-M472 HydrophobicContact CG2-CE 4.32Å
393	A	47.2	Very low	73.1	Confident	67 Å²	67	68.2 Å²	68.2	55%	0.554	38%	0.379	S	S	*	.	S	Bend	trans	41.7	26.5	165.4	0	0	0	0	0	117.6	G391 Y395 M396	G391-A393 PolarHBondContact O-N 2.86Å; G391-A393 VanDerWaalsContact O-N 3.15Å; A393-Y395 PolarHBondContact O-N 2.98Å; A393-Y395 VanDerWaalsContact O-N 3.12Å; A393-M396 HydrophobicContact CB-CE 4.2Å
394	N	55.1	Low	73.2	Confident	22 Å²	22	67.5 Å²	67.5	12%	0.118	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-13.1	-173.8	-74.2	-26.7	0	0	0	112.3	D389 T392 M472 Y475	D389-N394 PolarHBondContact O-ND2 2.98Å; D389-N394 VanDerWaalsContact O-ND2 3.16Å; T392-N394 VanDerWaalsContact O-CG 3.26Å; T392-N394 PolarHBondContact O-N 3.09Å; T392-N394 PolarHBondContact O-OD1 3.3Å; N394-M472 WeakPolarHBondContact OD1-CE 3.47Å; N394-M472 PolarHBondContact OD1-SD 3.43Å; N394-Y475 HydrophobicContact CB-CE1 4.38Å
395	Y	51.7	Low	73.3	Confident	159 Å²	159	68.1 Å²	68.1	62%	0.624	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-28.8	-174.4	-163.9	-105.5	0	0	0	113.7	A393 T397 H399	A393-Y395 PolarHBondContact O-N 2.98Å; A393-Y395 VanDerWaalsContact O-N 3.12Å; Y395-T397 PolarHBondContact O-N 3.27Å; Y395-H399 AromaticContact CD2-NE2 3.75Å; Y395-H399 AromaticContact CE2-CD2 3.73Å; Y395-H399 AromaticContact CE2-NE2 3.24Å; Y395-H399 WeakPolarHBondContact CE2-NE2 3.48Å; Y395-H399 AromaticContact CZ-CD2 3.77Å; Y395-H399 AromaticContact CZ-NE2 3.64Å
396	M	48.9	Very low	73.6	Confident	143 Å²	143	68 Å²	68	70%	0.704	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-20.8	-169.6	-71	-165.5	-71.2	0	0	114.4	A393	A393-M396 HydrophobicContact CB-CE 4.2Å
397	T	54.8	Low	73.8	Confident	74 Å²	74	73.3 Å²	73.3	45%	0.454	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-8.9	-178.6	46.4	0	0	0	0	114.4	Y395 K401	Y395-T397 PolarHBondContact O-N 3.27Å; T397-K401 WeakPolarHBondContact O-CE 3.4Å
398	A	59.4	Low	74.1	Confident	5 Å²	5	68.2 Å²	68.2	4%	0.041	40%	0.399	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-43.5	-172.3	0	0	0	0	0	113	E479 R483	A398-E479 WeakPolarHBondContact CB-OE2 3.46Å; A398-R483 PolarHBondContact O-NH1 3.21Å; A398-R483 PolarHBondContact O-NH2 2.88Å
399	H	68.9	Low	74.4	Confident	57 Å²	57	67 Å²	67	26%	0.264	40%	0.397	S	S	.	.	S	Bend	trans	-87.5	-42.7	-169.8	-62.9	-72.6	0	0	0	113	Y395	Y395-H399 AromaticContact CD2-NE2 3.75Å; Y395-H399 AromaticContact CE2-CD2 3.73Å; Y395-H399 AromaticContact CE2-NE2 3.24Å; Y395-H399 WeakPolarHBondContact CE2-NE2 3.48Å; Y395-H399 AromaticContact CZ-CD2 3.77Å; Y395-H399 AromaticContact CZ-NE2 3.64Å
400	T	79.6	Confident	74.9	Confident	64 Å²	64	66.3 Å²	66.3	39%	0.393	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	134.1	-176	52	0	0	0	0	110.2	C409 I410	T400-C409 VanDerWaalsContact CB-SG 3.55Å; T400-I410 CarbonylContact C-O 3.56Å; T400-I410 WeakPolarHBondContact CA-O 3.47Å
401	K	88.4	Confident	76	Confident	30 Å²	30	68.8 Å²	68.8	13%	0.13	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	147.2	175.1	-64.2	-166.1	177.9	-159.9	0	109.7	T397 I410 W430 V431 L433	T397-K401 WeakPolarHBondContact O-CE 3.4Å; K401-I410 PolarHBondContact N-O 3.34Å; K401-I410 WeakPolarHBondContact O-CA 2.94Å; K401-I410 WeakPolarHBondContact O-CB 3.4Å; K401-I410 PolarHBondContact O-N 2.73Å; K401-W430 HydrophobicContact CB-CH2 3.93Å; K401-W430 HydrophobicContact CB-CZ2 4.4Å; K401-W430 HydrophobicContact CB-CZ3 4.07Å; K401-W430 HydrophobicContact CD-CD2 4.24Å; K401-W430 HydrophobicContact CD-CE3 4.48Å; K401-W430 HydrophobicContact CD-CH2 4.33Å; K401-W430 HydrophobicContact CD-CZ2 4.02Å; K401-W430 WeakPolarHBondContact CD-O 3.43Å; K401-W430 WeakPolarHBondContact CE-O 3.38Å; K401-W430 HydrophobicContact CG-CH2 3.81Å; K401-W430 HydrophobicContact CG-CZ2 3.77Å; K401-W430 HydrophobicContact CG-CZ3 4.29Å; K401-W430 PolarHBondContact NZ-O 2.9Å; K401-V431 PolarHBondContact NZ-O 2.85Å; K401-L433 HydrophobicContact CB-CD2 4.41Å; K401-L433 HydrophobicContact CD-CD2 3.89Å
402	D	91.5	Very high	77.4	Confident	94 Å²	94	65.5 Å²	65.5	50%	0.503	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	139.2	174.7	-68.9	-22.6	0	0	0	110.7
403	C	94.7	Very high	78.8	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	36%	0.364	C	S	.	.			trans	-55.9	125.8	170.7	-177.8	0	0	0	0	109.6	S405 C406 H407 V408 I410	C403-S405 PolarHBondContact O-N 3.06Å; C403-S405 VanDerWaalsContact O-N 3.07Å; C403-S405 PolarHBondContact SG-N 2.68Å; C403-C406 VanDerWaalsContact SG-SG 3.67Å; C403-H407 WeakPolarHBondContact O-CA 3.19Å; C403-H407 PolarHBondContact O-N 2.8Å; C403-H407 PolarHBondContact O-ND1 3.37Å; C403-V408 HydrophobicContact CB-CG1 4.04Å; C403-V408 PolarHBondContact N-O 3.21Å; C403-I410 HydrophobicContact CB-CD1 3.61Å; C403-I410 HydrophobicContact CB-CG1 4.35Å
404	P	94.7	Very high	80.5	Confident	45 Å²	45	66.4 Å²	66.4	29%	0.292	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-14.2	-180	27.5	-37.3	0	0	0	113.3	Y426 F428	P404-Y426 HydrophobicContact CB-CE1 4.41Å; P404-Y426 HydrophobicContact CG-CD1 3.8Å; P404-Y426 HydrophobicContact CG-CE1 3.47Å; P404-Y426 VanDerWaalsContact CG-CE1 3.47Å; P404-F428 HydrophobicContact CG-CB 4.15Å; P404-F428 HydrophobicContact CG-CD1 4.31Å; P404-F428 HydrophobicContact CG-CD2 4.21Å; P404-F428 HydrophobicContact CG-CG 3.97Å
405	S	95.9	Very high	81.8	Confident	67 Å²	67	65.6 Å²	65.6	47%	0.469	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-41.9	178.8	-179.6	0	0	0	0	114.2	C403	C403-S405 PolarHBondContact O-N 3.06Å; C403-S405 VanDerWaalsContact O-N 3.07Å; C403-S405 PolarHBondContact SG-N 2.68Å
406	C	96.8	Very high	83.6	Confident	49 Å²	49	58.3 Å²	58.3	33%	0.331	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.3	-1.3	-174.7	71.3	0	0	0	0	114.6	C403 V408 C421 C424	C403-C406 VanDerWaalsContact SG-SG 3.67Å; C406-V408 PolarHBondContact O-N 2.91Å; C406-V408 VanDerWaalsContact O-N 3.1Å; C406-V408 VanDerWaalsContact SG-CG1 3.55Å; C406-C421 VanDerWaalsContact SG-SG 3.68Å; C406-C424 HydrophobicContact CB-CB 4.02Å
407	H	93.4	Very high	85.6	Confident	134 Å²	134	51.7 Å²	51.7	62%	0.62	29%	0.287	S	S	*	.			trans	58	19.6	177.5	-50.9	-62.9	0	0	0	115.7	C403	C403-H407 WeakPolarHBondContact O-CA 3.19Å; C403-H407 PolarHBondContact O-N 2.8Å; C403-H407 PolarHBondContact O-ND1 3.37Å
408	V	93.8	Very high	87.4	Confident	53 Å²	53	49.8 Å²	49.8	32%	0.321	27%	0.273	S	S	.	.			trans	-71.1	139.4	165.6	74.6	0	0	0	0	109	C403 C406 I410 I423	C403-V408 HydrophobicContact CB-CG1 4.04Å; C403-V408 PolarHBondContact N-O 3.21Å; C406-V408 PolarHBondContact O-N 2.91Å; C406-V408 VanDerWaalsContact O-N 3.1Å; C406-V408 VanDerWaalsContact SG-CG1 3.55Å; V408-I410 HydrophobicContact CG1-CG1 4.17Å; V408-I410 PolarHBondContact O-N 2.75Å; V408-I423 HydrophobicContact CG1-CG1 4.21Å; V408-I423 HydrophobicContact CG2-CG1 4.42Å
409	C	91.2	Very high	89	Confident	77 Å²	77	50 Å²	50	52%	0.52	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	131	172.8	179.4	0	0	0	0	110.4	T400	T400-C409 VanDerWaalsContact CB-SG 3.55Å
410	I	89.8	Confident	90.1	Very high	20 Å²	20	52.7 Å²	52.7	10%	0.103	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	133.9	-179.8	-60.8	176.9	0	0	0	108.4	T400 K401 C403 V408 C421 F428 W430	T400-I410 CarbonylContact C-O 3.56Å; T400-I410 WeakPolarHBondContact CA-O 3.47Å; K401-I410 PolarHBondContact N-O 3.34Å; K401-I410 WeakPolarHBondContact O-CA 2.94Å; K401-I410 WeakPolarHBondContact O-CB 3.4Å; K401-I410 PolarHBondContact O-N 2.73Å; C403-I410 HydrophobicContact CB-CD1 3.61Å; C403-I410 HydrophobicContact CB-CG1 4.35Å; V408-I410 HydrophobicContact CG1-CG1 4.17Å; V408-I410 PolarHBondContact O-N 2.75Å; I410-C421 HydrophobicContact CD1-CB 4.07Å; I410-F428 HydrophobicContact CD1-CE1 3.75Å; I410-F428 HydrophobicContact CD1-CZ 3.6Å; I410-W430 HydrophobicContact CB-CZ3 4.43Å; I410-W430 HydrophobicContact CG2-CZ3 3.99Å; I410-W430 WeakPolarHBondContact O-CH2 3.26Å
411	E	88.3	Confident	90.8	Very high	140 Å²	140	49.7 Å²	49.7	65%	0.654	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.8	144.7	169.3	-176.1	177.7	-172	0	0	110.1	N413	E411-N413 PolarHBondContact O-N 2.98Å
412	K	86.9	Confident	91	Very high	8 Å²	8	52.9 Å²	52.9	4%	0.035	29%	0.292	C	S	.	.			trans	-73.6	117.7	174.9	-164.7	-177.5	-166.2	177.5	0	110.3	E414 C416 N417 M419 W430 N480 R483 S484 L487	K412-E414 WeakPolarHBondContact CE-O 3.44Å; K412-E414 WeakPolarHBondContact CG-O 3.41Å; K412-C416 WeakPolarHBondContact CE-O 3.42Å; K412-N417 PolarHBondContact NZ-OD1 2.77Å; K412-M419 HydrophobicContact CG-SD 4.29Å; K412-W430 HydrophobicContact CB-CD2 4.15Å; K412-W430 HydrophobicContact CB-CE3 4.33Å; K412-W430 HydrophobicContact CB-CH2 3.99Å; K412-W430 HydrophobicContact CB-CZ2 3.82Å; K412-W430 HydrophobicContact CB-CZ3 4.24Å; K412-W430 HydrophobicContact CD-CD2 4.36Å; K412-W430 HydrophobicContact CD-CG 4.24Å; K412-W430 HydrophobicContact CG-CD2 4.28Å; K412-N480 PolarHBondContact NZ-OD1 2.85Å; K412-R483 VanDerWaalsContact CB-NH1 3.33Å; K412-R483 HydrophobicContact CD-CG 4.47Å; K412-R483 VanDerWaalsContact CD-NE 3.26Å; K412-S484 PolarHBondContact NZ-OG 3.01Å; K412-L487 HydrophobicContact CD-CD1 4.48Å; K412-L487 HydrophobicContact CG-CD1 4.4Å
413	N	83.3	Confident	91.2	Very high	95 Å²	95	54 Å²	54	51%	0.508	30%	0.296	S	S	.	.			trans	-105.2	-15.8	-176	66.1	-44.2	0	0	0	114.2	E411 M419	E411-N413 PolarHBondContact O-N 2.98Å; N413-M419 WeakPolarHBondContact OD1-CE 3.2Å
414	E	83.2	Confident	91.3	Very high	59 Å²	59	56.3 Å²	56.3	28%	0.276	31%	0.312	S	S	.	.	S	Bend	trans	-133.5	163.4	-175	-74.4	167.5	-144.5	0	0	112	K412 C416 L487	K412-E414 WeakPolarHBondContact CE-O 3.44Å; K412-E414 WeakPolarHBondContact CG-O 3.41Å; E414-C416 VanDerWaalsContact C-N 3.27Å; E414-C416 PolarHBondContact O-N 3.3Å; E414-L487 WeakPolarHBondContact O-CD1 3.5Å
415	G	82.9	Confident	91.3	Very high	4 Å²	4	59.8 Å²	59.8	4%	0.041	32%	0.324	C	S	.	.	S	Bend	trans	-65.2	-30.2	178	0	0	0	0	0	113.3	S484 R527	G415-S484 WeakPolarHBondContact O-CB 3.06Å; G415-S484 PolarHBondContact O-OG 3.46Å; G415-R527 PolarHBondContact O-NH2 3.4Å
416	C	89.8	Confident	91.3	Very high	7 Å²	7	59.8 Å²	59.8	5%	0.047	31%	0.314	C	S	.	.	S	Bend	trans	-71.3	145.8	-177.7	-167.9	0	0	0	0	112.4	K412 E414 H418 E561 S564	K412-C416 WeakPolarHBondContact CE-O 3.42Å; E414-C416 VanDerWaalsContact C-N 3.27Å; E414-C416 PolarHBondContact O-N 3.3Å; C416-H418 VanDerWaalsContact C-N 3.32Å; C416-H418 VanDerWaalsContact SG-CB 3.57Å; C416-H418 PolarHBondContact SG-N 2.82Å; C416-H418 VanDerWaalsContact SG-N 3.37Å; C416-E561 VanDerWaalsContact CA-OE2 3.23Å; C416-E561 WeakPolarHBondContact CA-OE2 3.46Å; C416-S564 PolarHBondContact N-OG 3.03Å
417	N	91.1	Very high	91.2	Very high	4 Å²	4	60.9 Å²	60.9	2%	0.021	31%	0.314	C	S	.	.	S	Bend	trans	-82.1	-9.6	172.8	-68.1	-32	0	0	0	112.9	K412 M419 C429 W430 N480 E561	K412-N417 PolarHBondContact NZ-OD1 2.77Å; N417-M419 PolarHBondContact O-N 2.96Å; N417-C429 WeakPolarHBondContact O-CA 3.42Å; N417-W430 HydrophobicContact CB-CB 4.4Å; N417-W430 PolarHBondContact O-N 3.42Å; N417-N480 PolarHBondContact OD1-ND2 2.91Å; N417-E561 HydrophobicContact CB-CG 4.3Å; N417-E561 PolarHBondContact N-OE2 2.91Å; N417-E561 VanDerWaalsContact ND2-CD 3.32Å; N417-E561 PolarHBondContact ND2-OE1 3.5Å; N417-E561 VanDerWaalsContact ND2-OE1 3.11Å
418	H	91.9	Very high	91.2	Very high	34 Å²	34	54.5 Å²	54.5	16%	0.157	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	113.5	169.7	-177.7	-152.3	0	0	0	109.5	C416 E427 W436 W565	C416-H418 VanDerWaalsContact C-N 3.32Å; C416-H418 VanDerWaalsContact SG-CB 3.57Å; C416-H418 PolarHBondContact SG-N 2.82Å; C416-H418 VanDerWaalsContact SG-N 3.37Å; H418-E427 IonicContact CE1-OE2 2.65Å; H418-E427 IonicContact NE2-OE2 3.51Å; H418-E427 PolarHBondContact NE2-OE2 3.43Å; H418-E427 VanDerWaalsContact NE2-OE2 3.1Å; H418-W436 VanDerWaalsContact CA-CZ3 3.45Å; H418-W436 HydrophobicContact CB-CD2 4.04Å; H418-W436 HydrophobicContact CB-CE3 4.12Å; H418-W436 HydrophobicContact CB-CH2 3.53Å; H418-W436 HydrophobicContact CB-CZ2 3.47Å; H418-W436 VanDerWaalsContact CB-CZ2 3.47Å; H418-W436 HydrophobicContact CB-CZ3 3.88Å; H418-W436 AromaticContact CD2-CD1 3.48Å; H418-W436 VanDerWaalsContact CD2-CD1 3.48Å; H418-W436 AromaticContact CD2-CD2 3.34Å; H418-W436 AromaticContact CD2-CE2 3.51Å; H418-W436 AromaticContact CD2-CE3 3.95Å; H418-W436 AromaticContact CD2-CG 3.35Å; H418-W436 AromaticContact CD2-NE1 3.56Å; H418-W436 AromaticContact CG-CD2 3.85Å; H418-W436 AromaticContact CG-CE2 3.58Å; H418-W436 AromaticContact CG-CZ2 3.88Å; H418-W436 AromaticContact CG-NE1 3.79Å; H418-W436 AromaticContact NE2-CD1 3.49Å; H418-W436 AromaticContact NE2-CG 3.73Å; H418-W436 AromaticContact NE2-NE1 3.79Å; H418-W565 AromaticContact ND1-CD1 3.82Å
419	M	92.4	Very high	91.2	Very high	8 Å²	8	52 Å²	52	4%	0.039	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	140.1	179.7	-64.3	-89.4	75	0	0	110.6	K412 N413 N417 E427 F428 W430	K412-M419 HydrophobicContact CG-SD 4.29Å; N413-M419 WeakPolarHBondContact OD1-CE 3.2Å; N417-M419 PolarHBondContact O-N 2.96Å; M419-E427 CarbonylContact O-C 3.55Å; M419-E427 VanDerWaalsContact O-CA 3.24Å; M419-E427 WeakPolarHBondContact O-CA 3.41Å; M419-F428 HydrophobicContact CB-CD1 4.18Å; M419-F428 HydrophobicContact CB-CD2 4.31Å; M419-F428 HydrophobicContact CB-CE1 3.79Å; M419-F428 HydrophobicContact CB-CE2 3.93Å; M419-F428 HydrophobicContact CB-CG 4.42Å; M419-F428 HydrophobicContact CB-CZ 3.65Å; M419-F428 HydrophobicContact CG-CE2 4.41Å; M419-F428 HydrophobicContact CG-CZ 4.41Å; M419-F428 PolarHBondContact N-O 3.13Å; M419-F428 PolarHBondContact O-N 3.33Å; M419-W430 HydrophobicContact CG-CB 3.78Å; M419-W430 HydrophobicContact CG-CD2 4.39Å; M419-W430 HydrophobicContact CG-CE3 3.79Å; M419-W430 HydrophobicContact CG-CG 4.43Å; M419-W430 HydrophobicContact SD-CD2 4.25Å; M419-W430 HydrophobicContact SD-CE3 3.53Å; M419-W430 VanDerWaalsContact SD-CE3 3.53Å; M419-W430 HydrophobicContact SD-CZ3 4.14Å
420	K	93	Very high	91.2	Very high	115 Å²	115	48.4 Å²	48.4	50%	0.5	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	120.5	173.6	-175.9	171.7	-167.7	141.7	0	109.9	S422 Y426 E427	K420-S422 PolarHBondContact O-N 3.4Å; K420-Y426 WeakPolarHBondContact CA-O 3.41Å; K420-E427 HydrophobicContact CB-CG 4.15Å; K420-E427 HydrophobicContact CD-CG 4.21Å; K420-E427 HydrophobicContact CG-CG 3.96Å; K420-E427 IonicContact NZ-OE1 3.56Å; K420-E427 PolarHBondContact NZ-OE1 2.89Å
421	C	94.6	Very high	91.2	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.007	24%	0.244	C	C	.	.			trans	-62.7	130.1	177.3	-178.9	0	0	0	0	110.9	C406 I410 I423 C424 H425 Y426	C406-C421 VanDerWaalsContact SG-SG 3.68Å; I410-C421 HydrophobicContact CD1-CB 4.07Å; C421-I423 PolarHBondContact O-N 2.84Å; C421-I423 PolarHBondContact SG-N 2.93Å; C421-I423 VanDerWaalsContact SG-N 3.41Å; C421-C424 VanDerWaalsContact CB-SG 3.53Å; C421-C424 PolarHBondContact SG-N 3.46Å; C421-C424 VanDerWaalsContact SG-N 3.45Å; C421-H425 WeakPolarHBondContact O-CA 3.31Å; C421-H425 PolarHBondContact O-N 3.5Å; C421-H425 PolarHBondContact O-ND1 2.98Å; C421-Y426 PolarHBondContact N-O 2.92Å
422	S	92.5	Very high	91.3	Very high	97 Å²	97	44 Å²	44	68%	0.678	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-22.5	177.2	55.5	0	0	0	0	113.5	K420 H425	K420-S422 PolarHBondContact O-N 3.4Å; S422-H425 PolarHBondContact O-CE1 2.88Å
423	I	94.3	Very high	91.5	Very high	118 Å²	118	46.7 Å²	46.7	61%	0.605	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-53.9	-177.1	-54.1	-57.8	0	0	0	112.2	V408 C421	V408-I423 HydrophobicContact CG1-CG1 4.21Å; V408-I423 HydrophobicContact CG2-CG1 4.42Å; C421-I423 PolarHBondContact O-N 2.84Å; C421-I423 PolarHBondContact SG-N 2.93Å; C421-I423 VanDerWaalsContact SG-N 3.41Å
424	C	96.6	Very high	91.9	Very high	47 Å²	47	43.1 Å²	43.1	32%	0.318	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-4.9	-175.7	71.4	0	0	0	0	114.2	C406 C421 Y426	C406-C424 HydrophobicContact CB-CB 4.02Å; C421-C424 VanDerWaalsContact CB-SG 3.53Å; C421-C424 PolarHBondContact SG-N 3.46Å; C421-C424 VanDerWaalsContact SG-N 3.45Å; C424-Y426 PolarHBondContact O-N 3.18Å; C424-Y426 WeakPolarHBondContact SG-CB 3.3Å
425	H	95	Very high	92.4	Very high	118 Å²	118	43.4 Å²	43.4	55%	0.546	24%	0.236	S	C	.	.			trans	58.5	14.3	-178.1	-54.1	-47.3	0	0	0	115.5	C421 S422	C421-H425 WeakPolarHBondContact O-CA 3.31Å; C421-H425 PolarHBondContact O-N 3.5Å; C421-H425 PolarHBondContact O-ND1 2.98Å; S422-H425 PolarHBondContact O-CE1 2.88Å
426	Y	95.7	Very high	92.8	Very high	68 Å²	68	45.3 Å²	45.3	27%	0.267	24%	0.242	S	C	.	.			trans	-63.6	135.1	171.4	-172.8	-102.6	0	0	0	110.6	P404 K420 C421 C424 F428 V435	P404-Y426 HydrophobicContact CB-CE1 4.41Å; P404-Y426 HydrophobicContact CG-CD1 3.8Å; P404-Y426 HydrophobicContact CG-CE1 3.47Å; P404-Y426 VanDerWaalsContact CG-CE1 3.47Å; K420-Y426 WeakPolarHBondContact CA-O 3.41Å; C421-Y426 PolarHBondContact N-O 2.92Å; C424-Y426 PolarHBondContact O-N 3.18Å; C424-Y426 WeakPolarHBondContact SG-CB 3.3Å; Y426-F428 HydrophobicContact CD1-CB 3.99Å; Y426-F428 AromaticContact CD1-CD1 3.87Å; Y426-F428 HydrophobicContact CD1-CD1 3.87Å; Y426-F428 HydrophobicContact CD1-CG 4.28Å; Y426-F428 HydrophobicContact CE1-CB 3.7Å; Y426-F428 HydrophobicContact CE1-CD1 4.42Å; Y426-F428 HydrophobicContact CE1-CG 4.38Å; Y426-V435 WeakPolarHBondContact OH-CG2 3.47Å
427	E	94.8	Very high	92.8	Very high	71 Å²	71	54.3 Å²	54.3	33%	0.332	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	126.1	-177.3	-64.3	-177.2	-167.8	0	0	110.7	H418 M419 K420 W436	H418-E427 IonicContact CE1-OE2 2.65Å; H418-E427 IonicContact NE2-OE2 3.51Å; H418-E427 PolarHBondContact NE2-OE2 3.43Å; H418-E427 VanDerWaalsContact NE2-OE2 3.1Å; M419-E427 CarbonylContact O-C 3.55Å; M419-E427 VanDerWaalsContact O-CA 3.24Å; M419-E427 WeakPolarHBondContact O-CA 3.41Å; K420-E427 HydrophobicContact CB-CG 4.15Å; K420-E427 HydrophobicContact CD-CG 4.21Å; K420-E427 HydrophobicContact CG-CG 3.96Å; K420-E427 IonicContact NZ-OE1 3.56Å; K420-E427 PolarHBondContact NZ-OE1 2.89Å; E427-W436 HydrophobicContact CB-CB 4.02Å; E427-W436 PolarHBondContact O-N 3.46Å
428	F	94.1	Very high	92.5	Very high	1 Å²	1	56.4 Å²	56.4	0%	0.004	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	164.5	-170.8	65.9	-80.4	0	0	0	112.4	P404 I410 M419 Y426 L433 G434	P404-F428 HydrophobicContact CG-CB 4.15Å; P404-F428 HydrophobicContact CG-CD1 4.31Å; P404-F428 HydrophobicContact CG-CD2 4.21Å; P404-F428 HydrophobicContact CG-CG 3.97Å; I410-F428 HydrophobicContact CD1-CE1 3.75Å; I410-F428 HydrophobicContact CD1-CZ 3.6Å; M419-F428 HydrophobicContact CB-CD1 4.18Å; M419-F428 HydrophobicContact CB-CD2 4.31Å; M419-F428 HydrophobicContact CB-CE1 3.79Å; M419-F428 HydrophobicContact CB-CE2 3.93Å; M419-F428 HydrophobicContact CB-CG 4.42Å; M419-F428 HydrophobicContact CB-CZ 3.65Å; M419-F428 HydrophobicContact CG-CE2 4.41Å; M419-F428 HydrophobicContact CG-CZ 4.41Å; M419-F428 PolarHBondContact N-O 3.13Å; M419-F428 PolarHBondContact O-N 3.33Å; Y426-F428 HydrophobicContact CD1-CB 3.99Å; Y426-F428 AromaticContact CD1-CD1 3.87Å; Y426-F428 HydrophobicContact CD1-CD1 3.87Å; Y426-F428 HydrophobicContact CD1-CG 4.28Å; Y426-F428 HydrophobicContact CE1-CB 3.7Å; Y426-F428 HydrophobicContact CE1-CD1 4.42Å; Y426-F428 HydrophobicContact CE1-CG 4.38Å; F428-L433 HydrophobicContact CD2-CD2 3.91Å; F428-L433 HydrophobicContact CE2-CD2 3.76Å; F428-G434 CarbonylContact C-O 3.57Å; F428-G434 WeakPolarHBondContact CA-O 3.32Å; F428-G434 VanDerWaalsContact CB-O 3.24Å; F428-G434 WeakPolarHBondContact CB-O 3.41Å
429	C	93	Very high	92.1	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	128.5	173	173.3	0	0	0	0	110.8	N417 V431 L433 G434 W436 H439	N417-C429 WeakPolarHBondContact O-CA 3.42Å; C429-V431 PolarHBondContact O-N 3.25Å; C429-V431 PolarHBondContact SG-N 2.92Å; C429-V431 VanDerWaalsContact SG-N 3.43Å; C429-L433 WeakPolarHBondContact O-CA 3.44Å; C429-L433 PolarHBondContact O-N 2.88Å; C429-G434 PolarHBondContact N-O 3.31Å; C429-W436 HydrophobicContact CB-CE3 4.03Å; C429-W436 HydrophobicContact CB-CZ3 4.08Å; C429-H439 VanDerWaalsContact CB-CD2 3.47Å; C429-H439 WeakPolarHBondContact CB-CD2 3.29Å; C429-H439 VanDerWaalsContact CB-NE2 3.35Å; C429-H439 WeakPolarHBondContact CB-NE2 3.44Å; C429-H439 PolarHBondContact SG-NE2 2.96Å
430	W	91.7	Very high	91.4	Very high	2 Å²	2	60.2 Å²	60.2	1%	0.008	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-33.4	178.1	-177.4	-99.4	0	0	0	113.7	K401 I410 K412 N417 M419 N480 R483	K401-W430 HydrophobicContact CB-CH2 3.93Å; K401-W430 HydrophobicContact CB-CZ2 4.4Å; K401-W430 HydrophobicContact CB-CZ3 4.07Å; K401-W430 HydrophobicContact CD-CD2 4.24Å; K401-W430 HydrophobicContact CD-CE3 4.48Å; K401-W430 HydrophobicContact CD-CH2 4.33Å; K401-W430 HydrophobicContact CD-CZ2 4.02Å; K401-W430 WeakPolarHBondContact CD-O 3.43Å; K401-W430 WeakPolarHBondContact CE-O 3.38Å; K401-W430 HydrophobicContact CG-CH2 3.81Å; K401-W430 HydrophobicContact CG-CZ2 3.77Å; K401-W430 HydrophobicContact CG-CZ3 4.29Å; K401-W430 PolarHBondContact NZ-O 2.9Å; I410-W430 HydrophobicContact CB-CZ3 4.43Å; I410-W430 HydrophobicContact CG2-CZ3 3.99Å; I410-W430 WeakPolarHBondContact O-CH2 3.26Å; K412-W430 HydrophobicContact CB-CD2 4.15Å; K412-W430 HydrophobicContact CB-CE3 4.33Å; K412-W430 HydrophobicContact CB-CH2 3.99Å; K412-W430 HydrophobicContact CB-CZ2 3.82Å; K412-W430 HydrophobicContact CB-CZ3 4.24Å; K412-W430 HydrophobicContact CD-CD2 4.36Å; K412-W430 HydrophobicContact CD-CG 4.24Å; K412-W430 HydrophobicContact CG-CD2 4.28Å; N417-W430 HydrophobicContact CB-CB 4.4Å; N417-W430 PolarHBondContact O-N 3.42Å; M419-W430 HydrophobicContact CG-CB 3.78Å; M419-W430 HydrophobicContact CG-CD2 4.39Å; M419-W430 HydrophobicContact CG-CE3 3.79Å; M419-W430 HydrophobicContact CG-CG 4.43Å; M419-W430 HydrophobicContact SD-CD2 4.25Å; M419-W430 HydrophobicContact SD-CE3 3.53Å; M419-W430 VanDerWaalsContact SD-CE3 3.53Å; M419-W430 HydrophobicContact SD-CZ3 4.14Å; W430-N480 VanDerWaalsContact CD1-OD1 3.22Å; W430-R483 VanDerWaalsContact CZ2-NH1 3.32Å
431	V	90.4	Very high	90.4	Very high	14 Å²	14	58.9 Å²	58.9	9%	0.085	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-57.7	-175.8	179.1	0	0	0	0	110.4	K401 C429 R477 N480	K401-V431 PolarHBondContact NZ-O 2.85Å; C429-V431 PolarHBondContact O-N 3.25Å; C429-V431 PolarHBondContact SG-N 2.92Å; C429-V431 VanDerWaalsContact SG-N 3.43Å; V431-R477 HydrophobicContact CG1-CG 3.79Å; V431-N480 WeakPolarHBondContact CG2-ND2 3.33Å
432	C	90.3	Very high	89.6	Confident	54 Å²	54	62.5 Å²	62.5	37%	0.365	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-9	-171.3	71.3	0	0	0	0	114.8	G434 H439	C432-G434 PolarHBondContact O-N 3.18Å; C432-G434 VanDerWaalsContact O-N 3.17Å; C432-G434 PolarHBondContact SG-N 3.47Å; C432-H439 VanDerWaalsContact SG-CD2 3.59Å; C432-H439 PolarHBondContact SG-NE2 3.35Å
433	L	91.5	Very high	88.9	Confident	63 Å²	63	58.2 Å²	58.2	33%	0.33	31%	0.314	S	S	.	.			trans	61.3	13	-172.6	-54.6	178.3	0	0	0	114.9	K401 F428 C429	K401-L433 HydrophobicContact CB-CD2 4.41Å; K401-L433 HydrophobicContact CD-CD2 3.89Å; F428-L433 HydrophobicContact CD2-CD2 3.91Å; F428-L433 HydrophobicContact CE2-CD2 3.76Å; C429-L433 WeakPolarHBondContact O-CA 3.44Å; C429-L433 PolarHBondContact O-N 2.88Å
434	G	91.8	Very high	87.9	Confident	21 Å²	21	56 Å²	56	22%	0.216	30%	0.298	C	S	.	.			trans	-75	161.6	175.6	0	0	0	0	0	113.6	F428 C429 C432 W436	F428-G434 CarbonylContact C-O 3.57Å; F428-G434 WeakPolarHBondContact CA-O 3.32Å; F428-G434 VanDerWaalsContact CB-O 3.24Å; F428-G434 WeakPolarHBondContact CB-O 3.41Å; C429-G434 PolarHBondContact N-O 3.31Å; C432-G434 PolarHBondContact O-N 3.18Å; C432-G434 VanDerWaalsContact O-N 3.17Å; C432-G434 PolarHBondContact SG-N 3.47Å; G434-W436 PolarHBondContact O-N 3.06Å
435	V	92.9	Very high	87.1	Confident	65 Å²	65	59.4 Å²	59.4	39%	0.394	31%	0.308	S	S	.	.	B	Isolated β-bridge	trans	-61.5	128.3	178.4	-177.4	0	0	0	0	109.8	Y426 K437 H439	Y426-V435 WeakPolarHBondContact OH-CG2 3.47Å; V435-K437 HydrophobicContact CG1-CB 4.21Å; V435-K437 PolarHBondContact O-N 3.28Å; V435-H439 PolarHBondContact O-N 2.89Å
436	W	91.5	Very high	86.8	Confident	43 Å²	43	54 Å²	54	16%	0.163	28%	0.283	C	S	.	.	H	α-helix	trans	-63.6	-39.3	-177.6	-170.9	-104.5	0	0	0	113.3	H418 E427 C429 G434 S438 H439 Y443	H418-W436 VanDerWaalsContact CA-CZ3 3.45Å; H418-W436 HydrophobicContact CB-CD2 4.04Å; H418-W436 HydrophobicContact CB-CE3 4.12Å; H418-W436 HydrophobicContact CB-CH2 3.53Å; H418-W436 HydrophobicContact CB-CZ2 3.47Å; H418-W436 VanDerWaalsContact CB-CZ2 3.47Å; H418-W436 HydrophobicContact CB-CZ3 3.88Å; H418-W436 AromaticContact CD2-CD1 3.48Å; H418-W436 VanDerWaalsContact CD2-CD1 3.48Å; H418-W436 AromaticContact CD2-CD2 3.34Å; H418-W436 AromaticContact CD2-CE2 3.51Å; H418-W436 AromaticContact CD2-CE3 3.95Å; H418-W436 AromaticContact CD2-CG 3.35Å; H418-W436 AromaticContact CD2-NE1 3.56Å; H418-W436 AromaticContact CG-CD2 3.85Å; H418-W436 AromaticContact CG-CE2 3.58Å; H418-W436 AromaticContact CG-CZ2 3.88Å; H418-W436 AromaticContact CG-NE1 3.79Å; H418-W436 AromaticContact NE2-CD1 3.49Å; H418-W436 AromaticContact NE2-CG 3.73Å; H418-W436 AromaticContact NE2-NE1 3.79Å; E427-W436 HydrophobicContact CB-CB 4.02Å; E427-W436 PolarHBondContact O-N 3.46Å; C429-W436 HydrophobicContact CB-CE3 4.03Å; C429-W436 HydrophobicContact CB-CZ3 4.08Å; G434-W436 PolarHBondContact O-N 3.06Å; W436-S438 VanDerWaalsContact C-N 3.27Å; W436-S438 PolarHBondContact O-N 3.25Å; W436-H439 HydrophobicContact CE3-CB 4.45Å; W436-H439 WeakPolarHBondContact O-CB 3.25Å; W436-H439 PolarHBondContact O-N 3.46Å; W436-Y443 WeakPolarHBondContact CH2-OH 3.22Å
437	K	88.8	Confident	86.4	Confident	196 Å²	196	50.9 Å²	50.9	85%	0.852	27%	0.271	S	S	*	.	H	α-helix	trans	-60.1	-30.1	-174.4	-171.8	176.7	179.1	-179.7	0	114.6	V435	V435-K437 HydrophobicContact CG1-CB 4.21Å; V435-K437 PolarHBondContact O-N 3.28Å
438	S	85.6	Confident	86.1	Confident	48 Å²	48	50 Å²	50	34%	0.336	27%	0.266	S	S	.	.	H	α-helix	trans	-98.7	-2.7	174.8	60.3	0	0	0	0	112.9	W436 D440 A441 E442	W436-S438 VanDerWaalsContact C-N 3.27Å; W436-S438 PolarHBondContact O-N 3.25Å; S438-D440 VanDerWaalsContact C-N 3.34Å; S438-D440 PolarHBondContact O-N 3.08Å; S438-A441 PolarHBondContact O-N 3.35Å; S438-E442 VanDerWaalsContact CB-OE1 3.25Å; S438-E442 WeakPolarHBondContact CB-OE1 3.31Å; S438-E442 WeakPolarHBondContact O-CG 3.41Å; S438-E442 PolarHBondContact OG-OE1 3.38Å
439	H	84.2	Confident	85.9	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-68.1	-30.1	-169.2	-161.9	-88.8	0	0	0	113.4	C429 C432 V435 W436 A441 E442 Y443	C429-H439 VanDerWaalsContact CB-CD2 3.47Å; C429-H439 WeakPolarHBondContact CB-CD2 3.29Å; C429-H439 VanDerWaalsContact CB-NE2 3.35Å; C429-H439 WeakPolarHBondContact CB-NE2 3.44Å; C429-H439 PolarHBondContact SG-NE2 2.96Å; C432-H439 VanDerWaalsContact SG-CD2 3.59Å; C432-H439 PolarHBondContact SG-NE2 3.35Å; V435-H439 PolarHBondContact O-N 2.89Å; W436-H439 HydrophobicContact CE3-CB 4.45Å; W436-H439 WeakPolarHBondContact O-CB 3.25Å; W436-H439 PolarHBondContact O-N 3.46Å; H439-A441 PolarHBondContact O-N 3.11Å; H439-E442 CarbonylContact O-C 3.48Å; H439-E442 WeakPolarHBondContact O-CA 3.43Å; H439-E442 PolarHBondContact O-N 2.97Å; H439-Y443 AromaticContact CE1-CD1 3.6Å; H439-Y443 AromaticContact CE1-CE1 3.53Å; H439-Y443 AromaticContact CE1-CE2 3.97Å; H439-Y443 AromaticContact CE1-CG 3.84Å; H439-Y443 AromaticContact CE1-CZ 3.72Å; H439-Y443 AromaticContact ND1-CD1 3.86Å; H439-Y443 AromaticContact ND1-CD2 3.45Å; H439-Y443 WeakPolarHBondContact ND1-CD2 3.25Å; H439-Y443 AromaticContact ND1-CE1 3.65Å; H439-Y443 AromaticContact ND1-CE2 3.23Å; H439-Y443 WeakPolarHBondContact ND1-CE2 3.39Å; H439-Y443 AromaticContact ND1-CG 3.76Å; H439-Y443 AromaticContact ND1-CZ 3.33Å; H439-Y443 VanDerWaalsContact ND1-CZ 3.33Å; H439-Y443 VanDerWaalsContact O-CD2 3.23Å; H439-Y443 WeakPolarHBondContact O-CD2 3.41Å; H439-Y443 PolarHBondContact O-N 3.24Å
440	D	76.7	Confident	85.6	Confident	121 Å²	121	58.2 Å²	58.2	65%	0.647	30%	0.304	S	S	*	.	H	α-helix	trans	-54.2	-40.5	177.8	-71.9	-13.4	0	0	0	112.6	S438 E442	S438-D440 VanDerWaalsContact C-N 3.34Å; S438-D440 PolarHBondContact O-N 3.08Å; D440-E442 VanDerWaalsContact C-N 3.32Å
441	A	72.8	Confident	85.2	Confident	88 Å²	88	63 Å²	63	73%	0.727	33%	0.326	S	S	*	.	H	α-helix	trans	-79.5	-16.6	176	0	0	0	0	0	113	S438 H439	S438-A441 PolarHBondContact O-N 3.35Å; H439-A441 PolarHBondContact O-N 3.11Å
442	E	77.5	Confident	84.8	Confident	76 Å²	76	65.6 Å²	65.6	36%	0.355	34%	0.339	S	S	.	.	H	α-helix	trans	-104.9	-4.4	-172.4	-63.1	169.2	-162.5	0	0	113.3	S438 H439 D440 Y444 F445 C446	S438-E442 VanDerWaalsContact CB-OE1 3.25Å; S438-E442 WeakPolarHBondContact CB-OE1 3.31Å; S438-E442 WeakPolarHBondContact O-CG 3.41Å; S438-E442 PolarHBondContact OG-OE1 3.38Å; H439-E442 CarbonylContact O-C 3.48Å; H439-E442 WeakPolarHBondContact O-CA 3.43Å; H439-E442 PolarHBondContact O-N 2.97Å; D440-E442 VanDerWaalsContact C-N 3.32Å; E442-Y444 PolarHBondContact O-N 2.81Å; E442-Y444 VanDerWaalsContact O-N 3.11Å; E442-F445 HydrophobicContact CB-CD2 4.48Å; E442-F445 WeakPolarHBondContact O-CA 3.32Å; E442-F445 WeakPolarHBondContact O-CB 3.46Å; E442-F445 PolarHBondContact O-N 3.48Å; E442-C446 PolarHBondContact O-N 3.43Å
443	Y	77.5	Confident	84.4	Confident	8 Å²	8	68.7 Å²	68.7	3%	0.031	36%	0.359	C	S	.	.	H	α-helix	trans	-52	-36.9	177.1	-92.9	-79.1	0	0	0	112.5	W436 H439 F445 C446 S447 E557 A558 E561	W436-Y443 WeakPolarHBondContact CH2-OH 3.22Å; H439-Y443 AromaticContact CE1-CD1 3.6Å; H439-Y443 AromaticContact CE1-CE1 3.53Å; H439-Y443 AromaticContact CE1-CE2 3.97Å; H439-Y443 AromaticContact CE1-CG 3.84Å; H439-Y443 AromaticContact CE1-CZ 3.72Å; H439-Y443 AromaticContact ND1-CD1 3.86Å; H439-Y443 AromaticContact ND1-CD2 3.45Å; H439-Y443 WeakPolarHBondContact ND1-CD2 3.25Å; H439-Y443 AromaticContact ND1-CE1 3.65Å; H439-Y443 AromaticContact ND1-CE2 3.23Å; H439-Y443 WeakPolarHBondContact ND1-CE2 3.39Å; H439-Y443 AromaticContact ND1-CG 3.76Å; H439-Y443 AromaticContact ND1-CZ 3.33Å; H439-Y443 VanDerWaalsContact ND1-CZ 3.33Å; H439-Y443 VanDerWaalsContact O-CD2 3.23Å; H439-Y443 WeakPolarHBondContact O-CD2 3.41Å; H439-Y443 PolarHBondContact O-N 3.24Å; Y443-F445 VanDerWaalsContact C-N 3.26Å; Y443-F445 PolarHBondContact O-N 3.44Å; Y443-C446 WeakPolarHBondContact O-CA 3.37Å; Y443-C446 WeakPolarHBondContact O-CB 3.47Å; Y443-C446 PolarHBondContact O-N 2.87Å; Y443-S447 PolarHBondContact O-N 3.33Å; Y443-S447 PolarHBondContact O-OG 2.94Å; Y443-E557 HydrophobicContact CD1-CB 4.31Å; Y443-A558 HydrophobicContact CD1-CB 4.34Å; Y443-A558 HydrophobicContact CD2-CB 3.77Å; Y443-A558 HydrophobicContact CE2-CB 4.1Å; Y443-A558 HydrophobicContact CG-CB 3.91Å; Y443-E561 HydrophobicContact CE1-CG 4.29Å; Y443-E561 WeakPolarHBondContact OH-CB 3.35Å
444	Y	72.9	Confident	84.1	Confident	71 Å²	71	69.4 Å²	69.4	28%	0.278	36%	0.363	S	S	.	.	H	α-helix	trans	-56.7	-38.9	175.2	-175.4	-103.8	0	0	0	112.9	E442 K448 E550 A554	E442-Y444 PolarHBondContact O-N 2.81Å; E442-Y444 VanDerWaalsContact O-N 3.11Å; Y444-K448 HydrophobicContact CE1-CD 3.75Å; Y444-K448 WeakPolarHBondContact O-CB 3.25Å; Y444-K448 PolarHBondContact O-N 3.08Å; Y444-K448 PolarHBondContact OH-NZ 2.67Å; Y444-E550 HydrophobicContact CE2-CB 4.34Å; Y444-A554 HydrophobicContact CD2-CB 4.13Å
445	F	80.4	Confident	83.4	Confident	118 Å²	118	70.1 Å²	70.1	52%	0.518	37%	0.365	S	S	.	.	H	α-helix	trans	-80.2	-23.9	175	-56.7	-68.6	0	0	0	112.5	E442 Y443	E442-F445 HydrophobicContact CB-CD2 4.48Å; E442-F445 WeakPolarHBondContact O-CA 3.32Å; E442-F445 WeakPolarHBondContact O-CB 3.46Å; E442-F445 PolarHBondContact O-N 3.48Å; Y443-F445 VanDerWaalsContact C-N 3.26Å; Y443-F445 PolarHBondContact O-N 3.44Å
446	C	88.2	Confident	82.7	Confident	6 Å²	6	71 Å²	71	4%	0.041	38%	0.379	C	S	.	.	H	α-helix	trans	-67.1	-42.8	173.8	-172	0	0	0	0	111	E442 Y443 R477	E442-C446 PolarHBondContact O-N 3.43Å; Y443-C446 WeakPolarHBondContact O-CA 3.37Å; Y443-C446 WeakPolarHBondContact O-CB 3.47Å; Y443-C446 PolarHBondContact O-N 2.87Å; C446-R477 PolarHBondContact O-NE 3.22Å; C446-R477 PolarHBondContact O-NH2 3Å
447	S	87	Confident	82.5	Confident	1 Å²	1	77.1 Å²	77.1	1%	0.007	41%	0.406	C	S	.	.	H	α-helix	trans	-86.1	-21.9	-176.3	-34.9	0	0	0	0	113.5	Y443 F473 E557	Y443-S447 PolarHBondContact O-N 3.33Å; Y443-S447 PolarHBondContact O-OG 2.94Å; S447-F473 WeakPolarHBondContact O-CE1 3.39Å; S447-F473 WeakPolarHBondContact O-CZ 3.18Å; S447-E557 WeakPolarHBondContact CB-OE2 3.4Å; S447-E557 PolarHBondContact OG-OE1 3.46Å; S447-E557 PolarHBondContact OG-OE2 2.88Å
448	K	88.6	Confident	82.3	Confident	53 Å²	53	71.6 Å²	71.6	23%	0.23	38%	0.384	C	S	.	.	S	Bend	trans	-97.4	128.1	-175.2	179.9	173.2	178.7	140.9	0	113.4	Y444 F473 E550	Y444-K448 HydrophobicContact CE1-CD 3.75Å; Y444-K448 WeakPolarHBondContact O-CB 3.25Å; Y444-K448 PolarHBondContact O-N 3.08Å; Y444-K448 PolarHBondContact OH-NZ 2.67Å; K448-F473 WeakPolarHBondContact O-CZ 3.25Å; K448-E550 WeakPolarHBondContact CD-OE2 3.44Å; K448-E550 VanDerWaalsContact CE-OE2 3.24Å; K448-E550 WeakPolarHBondContact CE-OE2 3.38Å; K448-E550 IonicContact NZ-OE2 3.88Å; K448-E550 PolarHBondContact NZ-OE2 3.36Å
449	Y	90.1	Very high	82.5	Confident	34 Å²	34	72.1 Å²	72.1	13%	0.133	39%	0.387	C	S	.	.			trans	-72.6	132.6	171.9	-177.2	-106.7	0	0	0	111.1	E451 E466 R470 F473 Y474	Y449-E451 HydrophobicContact CD1-CG 3.83Å; Y449-E451 HydrophobicContact CE1-CG 3.98Å; Y449-E466 PolarHBondContact OH-O 3.39Å; Y449-R470 HydrophobicContact CD1-CB 4.23Å; Y449-R470 HydrophobicContact CD1-CG 3.73Å; Y449-R470 HydrophobicContact CD2-CG 4.48Å; Y449-R470 HydrophobicContact CE1-CB 3.67Å; Y449-R470 HydrophobicContact CE1-CG 3.64Å; Y449-R470 HydrophobicContact CE2-CB 4.02Å; Y449-R470 HydrophobicContact CE2-CG 4.42Å; Y449-R470 HydrophobicContact CG-CG 4.15Å; Y449-F473 HydrophobicContact CD2-CB 3.65Å; Y449-F473 HydrophobicContact CD2-CD1 4.07Å; Y449-F473 AromaticContact CD2-CD2 3.79Å; Y449-F473 HydrophobicContact CD2-CD2 3.79Å; Y449-F473 HydrophobicContact CD2-CE2 4.46Å; Y449-F473 AromaticContact CD2-CG 3.57Å; Y449-F473 HydrophobicContact CD2-CG 3.57Å; Y449-F473 HydrophobicContact CE2-CB 4.19Å; Y449-F473 HydrophobicContact CG-CD1 4.34Å; Y449-F473 HydrophobicContact CG-CG 4.29Å; Y449-F473 VanDerWaalsContact N-CZ 3.32Å; Y449-Y474 HydrophobicContact CG-CE2 4.41Å
450	Q	87.3	Confident	82.7	Confident	140 Å²	140	77.2 Å²	77.2	65%	0.654	42%	0.418	S	S	*	.			trans	-92.6	106.2	176	-66.4	-176.7	-4.4	0	0	110.1
451	E	84.1	Confident	83.2	Confident	101 Å²	101	81.9 Å²	81.9	47%	0.472	43%	0.427	S	S	.	.			trans	-73.7	138.9	176.9	-66.4	173.8	-151.8	0	0	111.1	Y449 P453 K546	Y449-E451 HydrophobicContact CD1-CG 3.83Å; Y449-E451 HydrophobicContact CE1-CG 3.98Å; E451-P453 WeakPolarHBondContact O-CD 3.46Å; E451-K546 IonicContact OE1-NZ 2.59Å; E451-K546 PolarHBondContact OE1-NZ 3.23Å; E451-K546 VanDerWaalsContact OE1-NZ 3.12Å
452	N	82.3	Confident	83.9	Confident	70 Å²	70	79.5 Å²	79.5	37%	0.374	40%	0.403	S	S	.	.			trans	-71.4	117.1	168.8	179.7	3.2	0	0	0	109.4	D454 S455 E466	N452-D454 PolarHBondContact O-N 3.03Å; N452-D454 VanDerWaalsContact O-N 3.13Å; N452-D454 PolarHBondContact OD1-N 3.38Å; N452-D454 VanDerWaalsContact OD1-N 3.08Å; N452-S455 VanDerWaalsContact O-CB 3.24Å; N452-S455 WeakPolarHBondContact O-CB 3.15Å; N452-S455 PolarHBondContact O-N 3.08Å; N452-S455 VanDerWaalsContact O-N 3.09Å; N452-S455 PolarHBondContact O-OG 2.81Å; N452-E466 WeakPolarHBondContact CB-OE1 3.4Å; N452-E466 PolarHBondContact ND2-OE1 3.03Å
453	P	81.9	Confident	84.3	Confident	118 Å²	118	81.5 Å²	81.5	77%	0.766	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-20	-178.4	25.2	-34.4	0	0	0	113.6	E451	E451-P453 WeakPolarHBondContact O-CD 3.46Å
454	D	83.8	Confident	84.6	Confident	79 Å²	79	84.1 Å²	84.1	42%	0.422	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	2.8	178.3	-72.6	-48.8	0	0	0	114.2	N452 A456 K457	N452-D454 PolarHBondContact O-N 3.03Å; N452-D454 VanDerWaalsContact O-N 3.13Å; N452-D454 PolarHBondContact OD1-N 3.38Å; N452-D454 VanDerWaalsContact OD1-N 3.08Å; D454-A456 PolarHBondContact O-N 3.06Å; D454-A456 VanDerWaalsContact O-N 3.09Å; D454-K457 PolarHBondContact O-N 2.94Å; D454-K457 IonicContact OD1-NZ 2.77Å; D454-K457 PolarHBondContact OD1-NZ 2.79Å
455	S	78	Confident	85.3	Confident	36 Å²	36	88.5 Å²	88.5	25%	0.252	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-47.7	-40.8	-179.9	53.1	0	0	0	0	114.1	N452 K457 E458 R463 E466	N452-S455 VanDerWaalsContact O-CB 3.24Å; N452-S455 WeakPolarHBondContact O-CB 3.15Å; N452-S455 PolarHBondContact O-N 3.08Å; N452-S455 VanDerWaalsContact O-N 3.09Å; N452-S455 PolarHBondContact O-OG 2.81Å; S455-K457 VanDerWaalsContact C-N 3.29Å; S455-K457 PolarHBondContact O-N 3.07Å; S455-E458 WeakPolarHBondContact O-CB 3.48Å; S455-E458 PolarHBondContact O-N 2.91Å; S455-R463 WeakPolarHBondContact O-CD 3.26Å; S455-R463 WeakPolarHBondContact O-CG 3.27Å; S455-E466 WeakPolarHBondContact CA-OE2 3.2Å; S455-E466 WeakPolarHBondContact CB-OE2 3.28Å
456	A	78.1	Confident	85.6	Confident	84 Å²	84	84.2 Å²	84.2	69%	0.694	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-67.8	-24.7	-179.4	0	0	0	0	0	114.1	D454 E458	D454-A456 PolarHBondContact O-N 3.06Å; D454-A456 VanDerWaalsContact O-N 3.09Å; A456-E458 VanDerWaalsContact C-N 3.32Å
457	K	85.9	Confident	85.5	Confident	170 Å²	170	87.3 Å²	87.3	74%	0.739	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-87.6	-7.8	180	-60.9	174.9	-166.9	151.9	0	112.5	D454 S455	D454-K457 PolarHBondContact O-N 2.94Å; D454-K457 IonicContact OD1-NZ 2.77Å; D454-K457 PolarHBondContact OD1-NZ 2.79Å; S455-K457 VanDerWaalsContact C-N 3.29Å; S455-K457 PolarHBondContact O-N 3.07Å
458	E	86.1	Confident	85.5	Confident	81 Å²	81	90.5 Å²	90.5	38%	0.379	47%	0.467	S	S	.	.	S	Bend	trans	-91	162.2	-165.8	-170.5	58.2	-149.3	0	0	112.2	S455 A456 T462 R463	S455-E458 WeakPolarHBondContact O-CB 3.48Å; S455-E458 PolarHBondContact O-N 2.91Å; A456-E458 VanDerWaalsContact C-N 3.32Å; E458-T462 HydrophobicContact CG-CG2 3.43Å; E458-T462 VanDerWaalsContact CG-CG2 3.43Å; E458-T462 VanDerWaalsContact CG-OG1 3.3Å; E458-T462 WeakPolarHBondContact CG-OG1 3.45Å; E458-T462 PolarHBondContact OE1-OG1 3.39Å; E458-R463 PolarHBondContact O-NE 2.85Å; E458-R463 PolarHBondContact O-NH2 3.01Å
459	S	89.4	Confident	85.5	Confident	58 Å²	58	91.9 Å²	91.9	41%	0.406	47%	0.474	S	S	.	.			trans	-53.7	152.9	177.6	86.9	0	0	0	0	112.5	R461 T462 R463	S459-R461 PolarHBondContact O-N 3.21Å; S459-R461 PolarHBondContact OG-N 3.04Å; S459-T462 PolarHBondContact O-N 2.86Å; S459-T462 VanDerWaalsContact O-N 3.16Å; S459-T462 PolarHBondContact OG-N 2.78Å; S459-T462 VanDerWaalsContact OG-N 3.14Å; S459-T462 PolarHBondContact OG-OG1 3.3Å; S459-R463 PolarHBondContact O-N 3.19Å
460	V	88.5	Confident	85.4	Confident	108 Å²	108	91.3 Å²	91.3	66%	0.655	47%	0.472	S	S	*	.	H	α-helix	trans	-55.6	-37.8	175.8	176.2	0	0	0	0	111.3	R463 A464	V460-R463 PolarHBondContact O-N 3.03Å; V460-A464 PolarHBondContact O-N 2.94Å
461	R	86.4	Confident	85.6	Confident	219 Å²	219	84.6 Å²	84.6	83%	0.826	44%	0.441	S	S	*	.	H	α-helix	trans	-63.6	-45.5	178.5	-177.5	-179.6	178.6	-175.8	0.6	111.8	S459 A464 R465	S459-R461 PolarHBondContact O-N 3.21Å; S459-R461 PolarHBondContact OG-N 3.04Å; R461-A464 PolarHBondContact O-N 3.08Å; R461-R465 PolarHBondContact O-N 3.29Å; R461-R465 VanDerWaalsContact O-N 3.09Å
462	T	87.2	Confident	85.8	Confident	39 Å²	39	81.5 Å²	81.5	24%	0.239	43%	0.426	C	S	.	.	H	α-helix	trans	-69.4	-39.2	179.7	-35.8	0	0	0	0	110.8	E458 S459 A464 R465 E466	E458-T462 HydrophobicContact CG-CG2 3.43Å; E458-T462 VanDerWaalsContact CG-CG2 3.43Å; E458-T462 VanDerWaalsContact CG-OG1 3.3Å; E458-T462 WeakPolarHBondContact CG-OG1 3.45Å; E458-T462 PolarHBondContact OE1-OG1 3.39Å; S459-T462 PolarHBondContact O-N 2.86Å; S459-T462 VanDerWaalsContact O-N 3.16Å; S459-T462 PolarHBondContact OG-N 2.78Å; S459-T462 VanDerWaalsContact OG-N 3.14Å; S459-T462 PolarHBondContact OG-OG1 3.3Å; T462-A464 VanDerWaalsContact C-N 3.32Å; T462-A464 PolarHBondContact O-N 3.13Å; T462-R465 CarbonylContact O-C 3.39Å; T462-R465 WeakPolarHBondContact O-CA 3.36Å; T462-R465 WeakPolarHBondContact O-CB 3.21Å; T462-R465 PolarHBondContact O-N 3.21Å; T462-R465 VanDerWaalsContact O-N 3.11Å; T462-E466 WeakPolarHBondContact O-CG 3.27Å; T462-E466 PolarHBondContact O-N 2.99Å
463	R	86.4	Confident	86.3	Confident	118 Å²	118	79.6 Å²	79.6	45%	0.445	42%	0.415	S	S	.	.	H	α-helix	trans	-60.1	-40.1	173.9	-81	-175.3	-86.1	152.5	-9.9	113	S455 E458 S459 V460 R465 E466 S467	S455-R463 WeakPolarHBondContact O-CD 3.26Å; S455-R463 WeakPolarHBondContact O-CG 3.27Å; E458-R463 PolarHBondContact O-NE 2.85Å; E458-R463 PolarHBondContact O-NH2 3.01Å; S459-R463 PolarHBondContact O-N 3.19Å; V460-R463 PolarHBondContact O-N 3.03Å; R463-R465 VanDerWaalsContact C-N 3.34Å; R463-E466 PolarHBondContact O-N 2.9Å; R463-S467 WeakPolarHBondContact O-CB 3.44Å; R463-S467 PolarHBondContact O-N 3.25Å
464	A	85.2	Confident	86.8	Confident	63 Å²	63	74.1 Å²	74.1	52%	0.521	38%	0.379	S	S	.	.	H	α-helix	trans	-63.1	-41.7	174.1	0	0	0	0	0	111.6	V460 R461 T462 S467 L468	V460-A464 PolarHBondContact O-N 2.94Å; R461-A464 PolarHBondContact O-N 3.08Å; T462-A464 VanDerWaalsContact C-N 3.32Å; T462-A464 PolarHBondContact O-N 3.13Å; A464-S467 PolarHBondContact O-N 3.05Å; A464-L468 PolarHBondContact O-N 2.87Å
465	R	85.6	Confident	87.2	Confident	163 Å²	163	71.2 Å²	71.2	62%	0.615	36%	0.362	S	S	*	.	H	α-helix	trans	-63.2	-46.9	174.9	177.9	-178.5	166.2	175.4	-1.7	112.2	R461 T462 R463 S467 L468 E469	R461-R465 PolarHBondContact O-N 3.29Å; R461-R465 VanDerWaalsContact O-N 3.09Å; T462-R465 CarbonylContact O-C 3.39Å; T462-R465 WeakPolarHBondContact O-CA 3.36Å; T462-R465 WeakPolarHBondContact O-CB 3.21Å; T462-R465 PolarHBondContact O-N 3.21Å; T462-R465 VanDerWaalsContact O-N 3.11Å; R463-R465 VanDerWaalsContact C-N 3.34Å; R465-S467 VanDerWaalsContact C-N 3.33Å; R465-S467 PolarHBondContact O-N 3.45Å; R465-L468 WeakPolarHBondContact O-CB 3.39Å; R465-L468 PolarHBondContact O-N 3.35Å; R465-L468 VanDerWaalsContact O-N 3.11Å; R465-E469 HydrophobicContact CG-CG 4.46Å; R465-E469 IonicContact CZ-OE1 3.09Å; R465-E469 IonicContact NE-OE1 3.52Å; R465-E469 PolarHBondContact NE-OE1 3.48Å; R465-E469 IonicContact NH2-OE1 3.92Å; R465-E469 PolarHBondContact NH2-OE1 3.21Å; R465-E469 WeakPolarHBondContact O-CG 3.31Å; R465-E469 PolarHBondContact O-N 3.34Å
466	E	86.8	Confident	87.8	Confident	27 Å²	27	72.4 Å²	72.4	13%	0.126	36%	0.364	C	S	.	.	H	α-helix	trans	-62.4	-41	177.4	-71.7	174.8	160.3	0	0	111.4	Y449 N452 S455 T462 R463 L468 E469 R470	Y449-E466 PolarHBondContact OH-O 3.39Å; N452-E466 WeakPolarHBondContact CB-OE1 3.4Å; N452-E466 PolarHBondContact ND2-OE1 3.03Å; S455-E466 WeakPolarHBondContact CA-OE2 3.2Å; S455-E466 WeakPolarHBondContact CB-OE2 3.28Å; T462-E466 WeakPolarHBondContact O-CG 3.27Å; T462-E466 PolarHBondContact O-N 2.99Å; R463-E466 PolarHBondContact O-N 2.9Å; E466-L468 PolarHBondContact O-N 2.98Å; E466-E469 PolarHBondContact O-N 3.27Å; E466-R470 VanDerWaalsContact O-CB 3.26Å; E466-R470 WeakPolarHBondContact O-CB 3.42Å; E466-R470 PolarHBondContact O-N 3.31Å
467	S	87	Confident	88.5	Confident	72 Å²	72	69 Å²	69	50%	0.503	33%	0.333	S	S	.	.	H	α-helix	trans	-61.3	-34.7	174.1	-176.5	0	0	0	0	112.4	R463 A464 R465 Y471	R463-S467 WeakPolarHBondContact O-CB 3.44Å; R463-S467 PolarHBondContact O-N 3.25Å; A464-S467 PolarHBondContact O-N 3.05Å; R465-S467 VanDerWaalsContact C-N 3.33Å; R465-S467 PolarHBondContact O-N 3.45Å; S467-Y471 PolarHBondContact O-N 3.24Å; S467-Y471 VanDerWaalsContact O-N 3.13Å
468	L	86.6	Confident	88.9	Confident	67 Å²	67	62.3 Å²	62.3	35%	0.351	30%	0.303	S	S	.	.	H	α-helix	trans	-72.7	-48.5	176.3	-174	64.3	0	0	0	111.1	A464 R465 E466 R470 Y471 M472	A464-L468 PolarHBondContact O-N 2.87Å; R465-L468 WeakPolarHBondContact O-CB 3.39Å; R465-L468 PolarHBondContact O-N 3.35Å; R465-L468 VanDerWaalsContact O-N 3.11Å; E466-L468 PolarHBondContact O-N 2.98Å; L468-R470 VanDerWaalsContact C-N 3.26Å; L468-R470 PolarHBondContact O-N 3.17Å; L468-Y471 HydrophobicContact CD1-CD1 4.43Å; L468-Y471 WeakPolarHBondContact O-CA 3.48Å; L468-Y471 WeakPolarHBondContact O-CB 3.46Å; L468-Y471 PolarHBondContact O-N 2.79Å; L468-M472 HydrophobicContact CD1-CE 3.54Å; L468-M472 HydrophobicContact CD2-CE 4.42Å; L468-M472 HydrophobicContact CG-CE 3.92Å; L468-M472 WeakPolarHBondContact O-CG 3.5Å; L468-M472 PolarHBondContact O-N 3.38Å
469	E	88	Confident	89.1	Confident	82 Å²	82	59.7 Å²	59.7	38%	0.383	29%	0.291	S	S	.	.	H	α-helix	trans	-56.7	-42.1	176.4	-73.4	174.7	-179.5	0	0	111.3	R465 E466 M472 F473	R465-E469 HydrophobicContact CG-CG 4.46Å; R465-E469 IonicContact CZ-OE1 3.09Å; R465-E469 IonicContact NE-OE1 3.52Å; R465-E469 PolarHBondContact NE-OE1 3.48Å; R465-E469 IonicContact NH2-OE1 3.92Å; R465-E469 PolarHBondContact NH2-OE1 3.21Å; R465-E469 WeakPolarHBondContact O-CG 3.31Å; R465-E469 PolarHBondContact O-N 3.34Å; E466-E469 PolarHBondContact O-N 3.27Å; E469-M472 PolarHBondContact O-N 2.73Å; E469-F473 PolarHBondContact O-N 2.88Å
470	R	90	Very high	89.2	Confident	22 Å²	22	57.1 Å²	57.1	8%	0.083	27%	0.273	C	S	.	.	H	α-helix	trans	-59.5	-48.5	172.7	-174.8	-177.7	172.5	-64.2	-1	111.6	Y449 E466 L468 F473 Y474 F538 E541	Y449-R470 HydrophobicContact CD1-CB 4.23Å; Y449-R470 HydrophobicContact CD1-CG 3.73Å; Y449-R470 HydrophobicContact CD2-CG 4.48Å; Y449-R470 HydrophobicContact CE1-CB 3.67Å; Y449-R470 HydrophobicContact CE1-CG 3.64Å; Y449-R470 HydrophobicContact CE2-CB 4.02Å; Y449-R470 HydrophobicContact CE2-CG 4.42Å; Y449-R470 HydrophobicContact CG-CG 4.15Å; E466-R470 VanDerWaalsContact O-CB 3.26Å; E466-R470 WeakPolarHBondContact O-CB 3.42Å; E466-R470 PolarHBondContact O-N 3.31Å; L468-R470 VanDerWaalsContact C-N 3.26Å; L468-R470 PolarHBondContact O-N 3.17Å; R470-F473 WeakPolarHBondContact O-CB 3.26Å; R470-F473 PolarHBondContact O-N 2.88Å; R470-Y474 HydrophobicContact CG-CD2 4.27Å; R470-Y474 HydrophobicContact CG-CE2 3.98Å; R470-Y474 WeakPolarHBondContact O-CD2 3.22Å; R470-Y474 PolarHBondContact O-N 3.38Å; R470-F538 PolarHBondContact NH1-O 3.45Å; R470-F538 PolarHBondContact NH2-O 3.39Å; R470-E541 IonicContact CZ-OE1 3.38Å; R470-E541 IonicContact NE-OE1 3.31Å; R470-E541 PolarHBondContact NE-OE1 3.27Å; R470-E541 IonicContact NH2-OE1 2.87Å; R470-E541 PolarHBondContact NH2-OE1 3.03Å
471	Y	90.3	Very high	89.6	Confident	0 Å²	0	52 Å²	52	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-59.2	-48	176.9	168.3	-117.1	0	0	0	112.4	W382 K385 C386 D389 S467 L468 F473 Y474 Y475 F538	W382-Y471 HydrophobicContact CH2-CD2 4.29Å; W382-Y471 HydrophobicContact CH2-CE2 4.05Å; W382-Y471 HydrophobicContact CZ3-CD2 4.18Å; W382-Y471 HydrophobicContact CZ3-CE2 4.1Å; K385-Y471 HydrophobicContact CD-CD2 3.82Å; K385-Y471 HydrophobicContact CD-CE2 3.79Å; K385-Y471 HydrophobicContact CD-CG 4.44Å; K385-Y471 HydrophobicContact CG-CD2 4.33Å; K385-Y471 HydrophobicContact CG-CE2 3.82Å; C386-Y471 WeakPolarHBondContact CA-OH 3.26Å; D389-Y471 HydrophobicContact CB-CE1 3.83Å; D389-Y471 VanDerWaalsContact OD2-CE1 3.23Å; D389-Y471 WeakPolarHBondContact OD2-CE1 3.28Å; S467-Y471 PolarHBondContact O-N 3.24Å; S467-Y471 VanDerWaalsContact O-N 3.13Å; L468-Y471 HydrophobicContact CD1-CD1 4.43Å; L468-Y471 WeakPolarHBondContact O-CA 3.48Å; L468-Y471 WeakPolarHBondContact O-CB 3.46Å; L468-Y471 PolarHBondContact O-N 2.79Å; Y471-F473 PolarHBondContact O-N 2.76Å; Y471-Y474 PolarHBondContact O-N 2.9Å; Y471-Y474 VanDerWaalsContact O-N 3.14Å; Y471-Y475 HydrophobicContact CE2-CD2 4.35Å; Y471-Y475 AromaticContact CZ-CD2 3.99Å; Y471-Y475 WeakPolarHBondContact O-CB 3.45Å; Y471-Y475 PolarHBondContact O-N 3.31Å; Y471-Y475 WeakPolarHBondContact OH-CD2 3.38Å; Y471-F538 AromaticContact CD2-CE2 3.98Å; Y471-F538 HydrophobicContact CD2-CE2 3.98Å; Y471-F538 HydrophobicContact CD2-CZ 4.25Å; Y471-F538 HydrophobicContact CG-CE2 4.39Å
472	M	89.3	Confident	89.9	Confident	35 Å²	35	43.3 Å²	43.3	17%	0.172	21%	0.21	C	C	.	.	H	α-helix	trans	-57	-41.5	178.6	-61.9	-39.7	-173.5	0	0	111.7	T392 N394 L468 E469 Y474 Y475 E476	T392-M472 HydrophobicContact CG2-CE 4.32Å; N394-M472 WeakPolarHBondContact OD1-CE 3.47Å; N394-M472 PolarHBondContact OD1-SD 3.43Å; L468-M472 HydrophobicContact CD1-CE 3.54Å; L468-M472 HydrophobicContact CD2-CE 4.42Å; L468-M472 HydrophobicContact CG-CE 3.92Å; L468-M472 WeakPolarHBondContact O-CG 3.5Å; L468-M472 PolarHBondContact O-N 3.38Å; E469-M472 PolarHBondContact O-N 2.73Å; M472-Y474 VanDerWaalsContact C-N 3.34Å; M472-Y474 PolarHBondContact O-N 2.87Å; M472-Y475 PolarHBondContact O-N 3.13Å; M472-E476 WeakPolarHBondContact O-CB 3.32Å; M472-E476 VanDerWaalsContact O-CG 3.3Å; M472-E476 WeakPolarHBondContact O-CG 3.39Å; M472-E476 PolarHBondContact O-N 3.32Å
473	F	91.4	Very high	90	Very high	30 Å²	30	42.7 Å²	42.7	13%	0.132	20%	0.204	C	C	.	.	H	α-helix	trans	-54.2	-48	177.4	176.4	-82.7	0	0	0	112.9	S447 K448 Y449 E469 R470 Y471 R477	S447-F473 WeakPolarHBondContact O-CE1 3.39Å; S447-F473 WeakPolarHBondContact O-CZ 3.18Å; K448-F473 WeakPolarHBondContact O-CZ 3.25Å; Y449-F473 HydrophobicContact CD2-CB 3.65Å; Y449-F473 HydrophobicContact CD2-CD1 4.07Å; Y449-F473 AromaticContact CD2-CD2 3.79Å; Y449-F473 HydrophobicContact CD2-CD2 3.79Å; Y449-F473 HydrophobicContact CD2-CE2 4.46Å; Y449-F473 AromaticContact CD2-CG 3.57Å; Y449-F473 HydrophobicContact CD2-CG 3.57Å; Y449-F473 HydrophobicContact CE2-CB 4.19Å; Y449-F473 HydrophobicContact CG-CD1 4.34Å; Y449-F473 HydrophobicContact CG-CG 4.29Å; Y449-F473 VanDerWaalsContact N-CZ 3.32Å; E469-F473 PolarHBondContact O-N 2.88Å; R470-F473 WeakPolarHBondContact O-CB 3.26Å; R470-F473 PolarHBondContact O-N 2.88Å; Y471-F473 PolarHBondContact O-N 2.76Å; F473-R477 VanDerWaalsContact CZ-NE 3.32Å; F473-R477 WeakPolarHBondContact O-CD 3.46Å; F473-R477 PolarHBondContact O-NH1 3.27Å
474	Y	93.5	Very high	90.4	Very high	3 Å²	3	37.1 Å²	37.1	1%	0.012	18%	0.182	C	C	.	.	H	α-helix	trans	-75.9	-37.3	-179.9	-71.6	-83	0	0	0	111.6	Y449 R470 Y471 M472 R477 W478 Y534 A537 F538	Y449-Y474 HydrophobicContact CG-CE2 4.41Å; R470-Y474 HydrophobicContact CG-CD2 4.27Å; R470-Y474 HydrophobicContact CG-CE2 3.98Å; R470-Y474 WeakPolarHBondContact O-CD2 3.22Å; R470-Y474 PolarHBondContact O-N 3.38Å; Y471-Y474 PolarHBondContact O-N 2.9Å; Y471-Y474 VanDerWaalsContact O-N 3.14Å; M472-Y474 VanDerWaalsContact C-N 3.34Å; M472-Y474 PolarHBondContact O-N 2.87Å; Y474-R477 PolarHBondContact O-N 3.14Å; Y474-W478 WeakPolarHBondContact O-CB 3.44Å; Y474-W478 PolarHBondContact O-N 3.32Å; Y474-Y534 AromaticContact CD1-CD1 3.84Å; Y474-Y534 HydrophobicContact CD1-CD1 3.84Å; Y474-A537 HydrophobicContact CD1-CB 4.05Å; Y474-A537 HydrophobicContact CE1-CB 3.43Å; Y474-A537 VanDerWaalsContact CE1-CB 3.43Å; Y474-F538 HydrophobicContact CD1-CB 4.14Å; Y474-F538 HydrophobicContact CD2-CB 4.08Å; Y474-F538 AromaticContact CD2-CD2 3.63Å; Y474-F538 HydrophobicContact CD2-CD2 3.63Å; Y474-F538 HydrophobicContact CD2-CG 4.34Å; Y474-F538 HydrophobicContact CE2-CD2 4.38Å; Y474-F538 HydrophobicContact CG-CB 3.85Å; Y474-F538 HydrophobicContact CG-CD2 4.03Å; Y474-F538 HydrophobicContact CG-CG 4.44Å
475	Y	91.5	Very high	90.9	Very high	18 Å²	18	35 Å²	35	7%	0.071	16%	0.163	C	C	.	.	H	α-helix	trans	-63.8	-50.4	180	177.2	-91.3	0	0	0	111.7	W382 C386 N394 Y471 M472 R477 W478 E479	W382-Y475 HydrophobicContact CZ2-CD2 4.35Å; C386-Y475 HydrophobicContact CB-CE2 4.42Å; N394-Y475 HydrophobicContact CB-CE1 4.38Å; Y471-Y475 HydrophobicContact CE2-CD2 4.35Å; Y471-Y475 AromaticContact CZ-CD2 3.99Å; Y471-Y475 WeakPolarHBondContact O-CB 3.45Å; Y471-Y475 PolarHBondContact O-N 3.31Å; Y471-Y475 WeakPolarHBondContact OH-CD2 3.38Å; M472-Y475 PolarHBondContact O-N 3.13Å; Y475-R477 PolarHBondContact O-N 3.2Å; Y475-W478 HydrophobicContact CD2-CE3 4.42Å; Y475-W478 HydrophobicContact CE2-CE3 4.23Å; Y475-W478 HydrophobicContact CE2-CZ3 4.2Å; Y475-W478 WeakPolarHBondContact O-CB 3.3Å; Y475-W478 PolarHBondContact O-N 2.88Å; Y475-E479 HydrophobicContact CE1-CB 4.28Å; Y475-E479 VanDerWaalsContact CE1-OE2 3.28Å; Y475-E479 WeakPolarHBondContact CE1-OE2 3.25Å; Y475-E479 WeakPolarHBondContact O-CB 3.49Å; Y475-E479 PolarHBondContact O-N 3.06Å; Y475-E479 PolarHBondContact OH-OE1 3.34Å
476	E	90.1	Very high	91.2	Very high	61 Å²	61	32.1 Å²	32.1	29%	0.285	15%	0.151	S	C	.	.	H	α-helix	trans	-57.7	-35.6	-179.6	-74.5	-179	172.4	0	0	112.1	M472 N480	M472-E476 WeakPolarHBondContact O-CB 3.32Å; M472-E476 VanDerWaalsContact O-CG 3.3Å; M472-E476 WeakPolarHBondContact O-CG 3.39Å; M472-E476 PolarHBondContact O-N 3.32Å; E476-N480 WeakPolarHBondContact O-CB 3.45Å; E476-N480 PolarHBondContact O-N 3.42Å
477	R	93.4	Very high	91.5	Very high	14 Å²	14	32.4 Å²	32.4	5%	0.053	15%	0.154	C	C	.	.	H	α-helix	trans	-76.3	-43.1	178.5	-70.8	169.7	177.9	59.6	6.7	112.4	V431 C446 F473 Y474 Y475 E479 N480 H481 Y534	V431-R477 HydrophobicContact CG1-CG 3.79Å; C446-R477 PolarHBondContact O-NE 3.22Å; C446-R477 PolarHBondContact O-NH2 3Å; F473-R477 VanDerWaalsContact CZ-NE 3.32Å; F473-R477 WeakPolarHBondContact O-CD 3.46Å; F473-R477 PolarHBondContact O-NH1 3.27Å; Y474-R477 PolarHBondContact O-N 3.14Å; Y475-R477 PolarHBondContact O-N 3.2Å; R477-E479 VanDerWaalsContact C-N 3.33Å; R477-E479 PolarHBondContact O-N 3.44Å; R477-N480 WeakPolarHBondContact O-CB 3.26Å; R477-N480 PolarHBondContact O-N 3.12Å; R477-H481 PolarHBondContact O-CD2 3.26Å; R477-H481 PolarHBondContact O-N 2.86Å; R477-Y534 HydrophobicContact CB-CD1 3.7Å; R477-Y534 HydrophobicContact CB-CD2 4.1Å; R477-Y534 HydrophobicContact CB-CE1 3.37Å; R477-Y534 HydrophobicContact CB-CE2 3.8Å; R477-Y534 HydrophobicContact CB-CG 4.04Å; R477-Y534 WeakPolarHBondContact CD-OH 3.4Å; R477-Y534 HydrophobicContact CG-CE1 3.87Å
478	W	94.1	Very high	91.9	Very high	29 Å²	29	29.3 Å²	29.3	11%	0.11	13%	0.131	C	C	.	.	H	α-helix	trans	-55.6	-49.1	172.1	175.2	88.3	0	0	0	111.2	W382 Y474 Y475 H481 E482 K531	W382-W478 HydrophobicContact CZ2-CB 3.87Å; W382-W478 HydrophobicContact CZ2-CD2 4.33Å; W382-W478 AromaticContact CZ2-CG 3.96Å; W382-W478 HydrophobicContact CZ2-CG 3.96Å; W382-W478 AromaticContact NE1-CD1 3.73Å; W382-W478 AromaticContact NE1-CD2 3.59Å; W382-W478 AromaticContact NE1-CE2 3.57Å; W382-W478 AromaticContact NE1-CG 3.75Å; W382-W478 AromaticContact NE1-NE1 3.64Å; Y474-W478 WeakPolarHBondContact O-CB 3.44Å; Y474-W478 PolarHBondContact O-N 3.32Å; Y475-W478 HydrophobicContact CD2-CE3 4.42Å; Y475-W478 HydrophobicContact CE2-CE3 4.23Å; Y475-W478 HydrophobicContact CE2-CZ3 4.2Å; Y475-W478 WeakPolarHBondContact O-CB 3.3Å; Y475-W478 PolarHBondContact O-N 2.88Å; W478-H481 PolarHBondContact O-N 3.45Å; W478-E482 PolarHBondContact O-N 3.32Å; W478-E482 VanDerWaalsContact O-N 3.08Å; W478-K531 HydrophobicContact CG-CG 4.3Å
479	E	91	Very high	92.1	Very high	26 Å²	26	30.5 Å²	30.5	12%	0.121	14%	0.135	C	C	.	.	H	α-helix	trans	-68	-35.1	178.3	-175.2	176.6	-128.9	0	0	112.3	A398 Y475 R477 H481 E482 R483	A398-E479 WeakPolarHBondContact CB-OE2 3.46Å; Y475-E479 HydrophobicContact CE1-CB 4.28Å; Y475-E479 VanDerWaalsContact CE1-OE2 3.28Å; Y475-E479 WeakPolarHBondContact CE1-OE2 3.25Å; Y475-E479 WeakPolarHBondContact O-CB 3.49Å; Y475-E479 PolarHBondContact O-N 3.06Å; Y475-E479 PolarHBondContact OH-OE1 3.34Å; R477-E479 VanDerWaalsContact C-N 3.33Å; R477-E479 PolarHBondContact O-N 3.44Å; E479-H481 PolarHBondContact O-N 3.13Å; E479-E482 WeakPolarHBondContact O-CB 3.33Å; E479-E482 PolarHBondContact O-N 2.97Å; E479-R483 PolarHBondContact O-N 3Å
480	N	92.1	Very high	92.4	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.021	14%	0.138	C	C	.	.	H	α-helix	trans	-61.4	-43.2	174.3	-178.8	60	0	0	0	112	K412 N417 W430 V431 E476 R477 E482 R483 S484	K412-N480 PolarHBondContact NZ-OD1 2.85Å; N417-N480 PolarHBondContact OD1-ND2 2.91Å; W430-N480 VanDerWaalsContact CD1-OD1 3.22Å; V431-N480 WeakPolarHBondContact CG2-ND2 3.33Å; E476-N480 WeakPolarHBondContact O-CB 3.45Å; E476-N480 PolarHBondContact O-N 3.42Å; R477-N480 WeakPolarHBondContact O-CB 3.26Å; R477-N480 PolarHBondContact O-N 3.12Å; N480-E482 VanDerWaalsContact C-N 3.35Å; N480-R483 PolarHBondContact O-N 2.96Å; N480-S484 WeakPolarHBondContact O-CB 3.48Å; N480-S484 PolarHBondContact O-N 3.42Å; N480-S484 PolarHBondContact O-OG 2.88Å
481	H	95	Very high	92.5	Very high	1 Å²	1	30 Å²	30	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-65.5	-39.4	174.2	-75.7	-66.2	0	0	0	112	R477 W478 E479 S484 L485 R527 K531 Y534	R477-H481 PolarHBondContact O-CD2 3.26Å; R477-H481 PolarHBondContact O-N 2.86Å; W478-H481 PolarHBondContact O-N 3.45Å; E479-H481 PolarHBondContact O-N 3.13Å; H481-S484 PolarHBondContact O-N 3.22Å; H481-L485 VanDerWaalsContact O-CG 3.32Å; H481-L485 WeakPolarHBondContact O-CG 3.27Å; H481-L485 PolarHBondContact O-N 2.89Å; H481-R527 HydrophobicContact CB-CG 4.13Å; H481-R527 WeakPolarHBondContact ND1-CG 3.4Å; H481-K531 HydrophobicContact CB-CB 3.82Å; H481-K531 HydrophobicContact CB-CG 4.42Å; H481-Y534 AromaticContact CD2-CD2 3.98Å; H481-Y534 AromaticContact CD2-CE2 3.4Å; H481-Y534 WeakPolarHBondContact CD2-CE2 3.45Å; H481-Y534 AromaticContact NE2-CE2 3.44Å; H481-Y534 WeakPolarHBondContact NE2-CE2 3.47Å
482	E	92.7	Very high	92.7	Very high	35 Å²	35	32.7 Å²	32.7	16%	0.164	15%	0.147	C	C	.	.	H	α-helix	trans	-59.7	-44.4	174.8	176	51.1	-145.6	0	0	112.1	W478 E479 N480 L485 R486 K531	W478-E482 PolarHBondContact O-N 3.32Å; W478-E482 VanDerWaalsContact O-N 3.08Å; E479-E482 WeakPolarHBondContact O-CB 3.33Å; E479-E482 PolarHBondContact O-N 2.97Å; N480-E482 VanDerWaalsContact C-N 3.35Å; E482-L485 PolarHBondContact O-N 3.49Å; E482-R486 VanDerWaalsContact CG-NH1 3.31Å; E482-R486 PolarHBondContact O-N 3.48Å; E482-R486 IonicContact OE1-NH1 3.98Å; E482-R486 PolarHBondContact OE1-NH1 2.97Å; E482-K531 HydrophobicContact CB-CD 4.31Å; E482-K531 WeakPolarHBondContact OE2-CE 3.42Å; E482-K531 IonicContact OE2-NZ 3.08Å; E482-K531 PolarHBondContact OE2-NZ 3.42Å
483	R	90.9	Very high	93	Very high	27 Å²	27	33.7 Å²	33.7	10%	0.102	16%	0.16	C	C	.	.	H	α-helix	trans	-63.6	-46.3	172.9	173.1	173.5	48.8	-167.5	-22.6	112.3	A398 K412 W430 E479 N480 L485 R486 L487	A398-R483 PolarHBondContact O-NH1 3.21Å; A398-R483 PolarHBondContact O-NH2 2.88Å; K412-R483 VanDerWaalsContact CB-NH1 3.33Å; K412-R483 HydrophobicContact CD-CG 4.47Å; K412-R483 VanDerWaalsContact CD-NE 3.26Å; W430-R483 VanDerWaalsContact CZ2-NH1 3.32Å; E479-R483 PolarHBondContact O-N 3Å; N480-R483 PolarHBondContact O-N 2.96Å; R483-L485 VanDerWaalsContact C-N 3.26Å; R483-L485 PolarHBondContact O-N 3.43Å; R483-R486 WeakPolarHBondContact O-CB 3.16Å; R483-R486 PolarHBondContact O-N 2.8Å; R483-R486 VanDerWaalsContact O-N 3.09Å; R483-L487 HydrophobicContact CG-CD1 4.01Å; R483-L487 HydrophobicContact CG-CG 4.49Å; R483-L487 PolarHBondContact O-N 2.94Å; R483-L487 VanDerWaalsContact O-N 3.08Å
484	S	94.9	Very high	93.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.7	-36.2	-179.8	-76	0	0	0	0	111.8	K412 G415 N480 H481 R486 L487 E488 R527	K412-S484 PolarHBondContact NZ-OG 3.01Å; G415-S484 WeakPolarHBondContact O-CB 3.06Å; G415-S484 PolarHBondContact O-OG 3.46Å; N480-S484 WeakPolarHBondContact O-CB 3.48Å; N480-S484 PolarHBondContact O-N 3.42Å; N480-S484 PolarHBondContact O-OG 2.88Å; H481-S484 PolarHBondContact O-N 3.22Å; S484-R486 VanDerWaalsContact C-N 3.3Å; S484-R486 PolarHBondContact O-N 3.29Å; S484-L487 PolarHBondContact O-N 3.24Å; S484-E488 VanDerWaalsContact O-CB 3.31Å; S484-E488 WeakPolarHBondContact O-CB 3.35Å; S484-E488 WeakPolarHBondContact O-CG 3.34Å; S484-E488 PolarHBondContact O-N 3.32Å; S484-R527 VanDerWaalsContact CB-CZ 3.49Å; S484-R527 PolarHBondContact OG-NH1 2.89Å
485	L	94.6	Very high	93.2	Very high	20 Å²	20	37.7 Å²	37.7	11%	0.105	18%	0.175	C	C	.	.	H	α-helix	trans	-59	-39.8	172.9	-77.6	164.8	0	0	0	112.2	H481 E482 R483 H489 R524 R527 Y528 K531	H481-L485 VanDerWaalsContact O-CG 3.32Å; H481-L485 WeakPolarHBondContact O-CG 3.27Å; H481-L485 PolarHBondContact O-N 2.89Å; E482-L485 PolarHBondContact O-N 3.49Å; R483-L485 VanDerWaalsContact C-N 3.26Å; R483-L485 PolarHBondContact O-N 3.43Å; L485-H489 WeakPolarHBondContact O-CB 3.27Å; L485-H489 PolarHBondContact O-N 3.14Å; L485-R524 HydrophobicContact CD2-CG 3.9Å; L485-R527 HydrophobicContact CD2-CB 4.02Å; L485-R527 HydrophobicContact CD2-CG 4.18Å; L485-R527 HydrophobicContact CG-CB 4.4Å; L485-R527 HydrophobicContact CG-CG 4.01Å; L485-Y528 HydrophobicContact CD1-CD2 4.02Å; L485-K531 HydrophobicContact CD1-CD 4.06Å
486	R	93	Very high	93.4	Very high	101 Å²	101	39.6 Å²	39.6	38%	0.381	18%	0.184	S	C	.	.	H	α-helix	trans	-65.7	-45.1	174.8	-66.9	-169.7	-70.6	-95.3	6.9	112.3	E482 R483 S484 E488 H489 D490	E482-R486 VanDerWaalsContact CG-NH1 3.31Å; E482-R486 PolarHBondContact O-N 3.48Å; E482-R486 IonicContact OE1-NH1 3.98Å; E482-R486 PolarHBondContact OE1-NH1 2.97Å; R483-R486 WeakPolarHBondContact O-CB 3.16Å; R483-R486 PolarHBondContact O-N 2.8Å; R483-R486 VanDerWaalsContact O-N 3.09Å; S484-R486 VanDerWaalsContact C-N 3.3Å; S484-R486 PolarHBondContact O-N 3.29Å; R486-E488 VanDerWaalsContact C-N 3.3Å; R486-E488 PolarHBondContact O-N 3.47Å; R486-H489 WeakPolarHBondContact O-CB 3.4Å; R486-H489 PolarHBondContact O-N 3.41Å; R486-D490 PolarHBondContact O-N 3.23Å
487	L	93	Very high	93.7	Very high	34 Å²	34	40.3 Å²	40.3	18%	0.178	19%	0.193	C	C	.	.	H	α-helix	trans	-65.4	-35.9	178.4	-65.7	170.2	0	0	0	112	K412 E414 R483 S484 D490 Q491	K412-L487 HydrophobicContact CD-CD1 4.48Å; K412-L487 HydrophobicContact CG-CD1 4.4Å; E414-L487 WeakPolarHBondContact O-CD1 3.5Å; R483-L487 HydrophobicContact CG-CD1 4.01Å; R483-L487 HydrophobicContact CG-CG 4.49Å; R483-L487 PolarHBondContact O-N 2.94Å; R483-L487 VanDerWaalsContact O-N 3.08Å; S484-L487 PolarHBondContact O-N 3.24Å; L487-D490 PolarHBondContact O-N 3.4Å; L487-Q491 WeakPolarHBondContact O-CB 3.34Å; L487-Q491 PolarHBondContact O-N 3.45Å
488	E	94.3	Very high	93.8	Very high	6 Å²	6	42.9 Å²	42.9	3%	0.028	20%	0.203	C	C	.	.	H	α-helix	trans	-73	-32.4	177.4	-74.6	168.5	173.8	0	0	112.7	S484 R486 Q491 R492 L523 R527	S484-E488 VanDerWaalsContact O-CB 3.31Å; S484-E488 WeakPolarHBondContact O-CB 3.35Å; S484-E488 WeakPolarHBondContact O-CG 3.34Å; S484-E488 PolarHBondContact O-N 3.32Å; R486-E488 VanDerWaalsContact C-N 3.3Å; R486-E488 PolarHBondContact O-N 3.47Å; E488-Q491 WeakPolarHBondContact O-CB 3.48Å; E488-Q491 PolarHBondContact O-N 3.41Å; E488-R492 WeakPolarHBondContact O-CB 3.41Å; E488-R492 PolarHBondContact O-N 2.96Å; E488-L523 HydrophobicContact CG-CD2 3.89Å; E488-L523 HydrophobicContact CG-CG 4.49Å; E488-L523 VanDerWaalsContact OE1-CD2 3.24Å; E488-L523 WeakPolarHBondContact OE1-CD2 3.29Å; E488-L523 WeakPolarHBondContact OE1-CG 3.37Å; E488-R527 IonicContact OE1-CZ 2.75Å; E488-R527 IonicContact OE1-NE 3.12Å; E488-R527 PolarHBondContact OE1-NE 3.49Å; E488-R527 IonicContact OE1-NH2 3.67Å; E488-R527 PolarHBondContact OE1-NH2 3.32Å; E488-R527 WeakPolarHBondContact OE2-CD 3.3Å; E488-R527 IonicContact OE2-NE 3.38Å; E488-R527 PolarHBondContact OE2-NE 2.97Å
489	H	91.8	Very high	93.8	Very high	92 Å²	92	41.6 Å²	41.6	43%	0.426	20%	0.198	S	C	.	.	H	α-helix	trans	-57.5	-50	168.8	170.6	-86.1	0	0	0	110.8	L485 R486 Q491 R492 A493	L485-H489 WeakPolarHBondContact O-CB 3.27Å; L485-H489 PolarHBondContact O-N 3.14Å; R486-H489 WeakPolarHBondContact O-CB 3.4Å; R486-H489 PolarHBondContact O-N 3.41Å; H489-Q491 VanDerWaalsContact C-N 3.31Å; H489-Q491 PolarHBondContact O-N 2.9Å; H489-R492 WeakPolarHBondContact O-CB 3.42Å; H489-R492 PolarHBondContact O-N 3.26Å; H489-A493 PolarHBondContact O-N 2.92Å
490	D	93.3	Very high	94.1	Very high	85 Å²	85	44.4 Å²	44.4	46%	0.455	21%	0.214	S	C	.	.	H	α-helix	trans	-67.5	-33.9	178.1	-63.2	-15	0	0	0	111.9	R486 L487 A493 R494	R486-D490 PolarHBondContact O-N 3.23Å; L487-D490 PolarHBondContact O-N 3.4Å; D490-A493 PolarHBondContact O-N 2.95Å; D490-R494 WeakPolarHBondContact O-CG 3.34Å; D490-R494 PolarHBondContact O-N 2.84Å; D490-R494 VanDerWaalsContact O-N 3.07Å; D490-R494 PolarHBondContact O-NE 3.45Å
491	Q	93.4	Very high	94.2	Very high	9 Å²	9	48.7 Å²	48.7	4%	0.042	23%	0.234	C	C	.	.	H	α-helix	trans	-63.1	-41.7	173	-166.4	-172.7	18.4	0	0	111.2	L487 E488 H489 A493 R494 I495 E568	L487-Q491 WeakPolarHBondContact O-CB 3.34Å; L487-Q491 PolarHBondContact O-N 3.45Å; E488-Q491 WeakPolarHBondContact O-CB 3.48Å; E488-Q491 PolarHBondContact O-N 3.41Å; H489-Q491 VanDerWaalsContact C-N 3.31Å; H489-Q491 PolarHBondContact O-N 2.9Å; Q491-A493 VanDerWaalsContact C-N 3.33Å; Q491-A493 PolarHBondContact O-N 2.98Å; Q491-R494 WeakPolarHBondContact O-CB 3.38Å; Q491-R494 PolarHBondContact O-N 3.46Å; Q491-R494 VanDerWaalsContact O-N 3.14Å; Q491-I495 HydrophobicContact CG-CD1 4.26Å; Q491-I495 VanDerWaalsContact O-CG1 3.3Å; Q491-I495 WeakPolarHBondContact O-CG1 3.5Å; Q491-I495 PolarHBondContact O-N 3.26Å; Q491-E568 PolarHBondContact NE2-OE2 3.33Å
492	R	94.4	Very high	94.3	Very high	57 Å²	57	51.1 Å²	51.1	22%	0.215	24%	0.244	C	C	.	.	H	α-helix	trans	-59.4	-43.7	176.6	-167.2	-169.2	-169.5	-55.5	-1.8	111.5	E488 H489 I495 Q496 A520 D521	E488-R492 WeakPolarHBondContact O-CB 3.41Å; E488-R492 PolarHBondContact O-N 2.96Å; H489-R492 WeakPolarHBondContact O-CB 3.42Å; H489-R492 PolarHBondContact O-N 3.26Å; R492-I495 PolarHBondContact O-N 2.94Å; R492-Q496 PolarHBondContact O-N 2.89Å; R492-A520 HydrophobicContact CB-CB 4.28Å; R492-A520 HydrophobicContact CG-CB 4.01Å; R492-D521 IonicContact CZ-OD1 3.55Å; R492-D521 IonicContact CZ-OD2 3.32Å; R492-D521 IonicContact NE-OD1 3.61Å; R492-D521 PolarHBondContact NE-OD1 2.78Å; R492-D521 IonicContact NE-OD2 3.49Å; R492-D521 IonicContact NH2-OD1 2.86Å; R492-D521 IonicContact NH2-OD2 2.78Å; R492-D521 PolarHBondContact NH2-OD2 2.84Å
493	A	94.6	Very high	94.4	Very high	56 Å²	56	52.1 Å²	52.1	46%	0.463	25%	0.252	S	S	.	.	H	α-helix	trans	-63.2	-39.9	175.2	0	0	0	0	0	112.3	H489 D490 Q491 Q496 T497	H489-A493 PolarHBondContact O-N 2.92Å; D490-A493 PolarHBondContact O-N 2.95Å; Q491-A493 VanDerWaalsContact C-N 3.33Å; Q491-A493 PolarHBondContact O-N 2.98Å; A493-Q496 PolarHBondContact O-N 3.46Å; A493-T497 PolarHBondContact O-N 3.35Å; A493-T497 VanDerWaalsContact O-N 3.08Å; A493-T497 PolarHBondContact O-OG1 3.42Å
494	R	94.5	Very high	94.7	Very high	116 Å²	116	57.9 Å²	57.9	44%	0.438	29%	0.285	S	S	.	.	H	α-helix	trans	-62	-44.6	172.9	-74.5	-178.1	-84.4	155.7	-9.4	111.7	D490 Q491 Q496 T497 R498	D490-R494 WeakPolarHBondContact O-CG 3.34Å; D490-R494 PolarHBondContact O-N 2.84Å; D490-R494 VanDerWaalsContact O-N 3.07Å; D490-R494 PolarHBondContact O-NE 3.45Å; Q491-R494 WeakPolarHBondContact O-CB 3.38Å; Q491-R494 PolarHBondContact O-N 3.46Å; Q491-R494 VanDerWaalsContact O-N 3.14Å; R494-Q496 VanDerWaalsContact C-N 3.35Å; R494-Q496 PolarHBondContact O-N 2.84Å; R494-T497 PolarHBondContact O-N 3.27Å; R494-R498 WeakPolarHBondContact O-CG 3.34Å; R494-R498 PolarHBondContact O-N 3.41Å
495	I	95.1	Very high	94.8	Very high	1 Å²	1	64 Å²	64	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-58.7	-47.2	176.1	-67.2	164.5	0	0	0	110.2	Q491 R492 T497 R498 I499 L516 L517 A520 I567	Q491-I495 HydrophobicContact CG-CD1 4.26Å; Q491-I495 VanDerWaalsContact O-CG1 3.3Å; Q491-I495 WeakPolarHBondContact O-CG1 3.5Å; Q491-I495 PolarHBondContact O-N 3.26Å; R492-I495 PolarHBondContact O-N 2.94Å; I495-T497 VanDerWaalsContact C-N 3.32Å; I495-T497 PolarHBondContact O-N 2.9Å; I495-R498 PolarHBondContact O-N 3.19Å; I495-R498 VanDerWaalsContact O-N 3.16Å; I495-I499 HydrophobicContact CG2-CD1 3.89Å; I495-I499 HydrophobicContact CG2-CG1 4.29Å; I495-I499 VanDerWaalsContact O-CG1 3.3Å; I495-I499 WeakPolarHBondContact O-CG1 3.46Å; I495-I499 PolarHBondContact O-N 3.38Å; I495-L516 HydrophobicContact CG2-CB 3.66Å; I495-L516 HydrophobicContact CG2-CD1 4.49Å; I495-L517 HydrophobicContact CB-CD2 4.24Å; I495-L517 HydrophobicContact CG2-CD2 3.67Å; I495-L517 HydrophobicContact CG2-CG 4.45Å; I495-A520 HydrophobicContact CD1-CB 4.07Å; I495-I567 HydrophobicContact CD1-CG2 3.49Å; I495-I567 VanDerWaalsContact CD1-CG2 3.49Å
496	Q	96.1	Very high	94.8	Very high	57 Å²	57	72 Å²	72	27%	0.266	35%	0.345	S	S	.	.	H	α-helix	trans	-56.2	-45.7	177.4	-176.4	63.1	64	0	0	112	R492 A493 R494 I499 N500 L517	R492-Q496 PolarHBondContact O-N 2.89Å; A493-Q496 PolarHBondContact O-N 3.46Å; R494-Q496 VanDerWaalsContact C-N 3.35Å; R494-Q496 PolarHBondContact O-N 2.84Å; Q496-I499 PolarHBondContact O-N 2.98Å; Q496-N500 PolarHBondContact NE2-OD1 2.69Å; Q496-N500 VanDerWaalsContact NE2-OD1 3.09Å; Q496-N500 VanDerWaalsContact O-CG 3.23Å; Q496-N500 PolarHBondContact O-N 3.36Å; Q496-N500 PolarHBondContact O-ND2 3.43Å; Q496-N500 PolarHBondContact O-OD1 2.93Å; Q496-L517 HydrophobicContact CB-CD2 4.25Å
497	T	96.1	Very high	94.9	Very high	77 Å²	77	71.6 Å²	71.6	47%	0.472	35%	0.347	S	S	.	.	H	α-helix	trans	-60.8	-47	176.3	-60.8	0	0	0	0	111.5	A493 R494 I495 I499 N500 E501	A493-T497 PolarHBondContact O-N 3.35Å; A493-T497 VanDerWaalsContact O-N 3.08Å; A493-T497 PolarHBondContact O-OG1 3.42Å; R494-T497 PolarHBondContact O-N 3.27Å; I495-T497 VanDerWaalsContact C-N 3.32Å; I495-T497 PolarHBondContact O-N 2.9Å; T497-I499 VanDerWaalsContact C-N 3.32Å; T497-I499 PolarHBondContact O-N 3.24Å; T497-N500 PolarHBondContact O-N 2.73Å; T497-E501 WeakPolarHBondContact O-CG 3.38Å; T497-E501 PolarHBondContact O-N 3.06Å
498	R	94.1	Very high	94.9	Very high	68 Å²	68	71.5 Å²	71.5	26%	0.257	36%	0.355	S	S	.	.	H	α-helix	trans	-59.5	-41.3	176.6	-66.2	-173	-36.8	-166.4	7	112.4	R494 I495 E501 K502	R494-R498 WeakPolarHBondContact O-CG 3.34Å; R494-R498 PolarHBondContact O-N 3.41Å; I495-R498 PolarHBondContact O-N 3.19Å; I495-R498 VanDerWaalsContact O-N 3.16Å; R498-E501 PolarHBondContact O-N 2.93Å; R498-K502 WeakPolarHBondContact O-CG 3.45Å; R498-K502 PolarHBondContact O-N 3.49Å
499	I	94.8	Very high	95	Very high	2 Å²	2	74.7 Å²	74.7	1%	0.01	38%	0.375	C	S	.	.	H	α-helix	trans	-60.7	-48.7	176.9	-68.2	177	0	0	0	109.9	I495 Q496 T497 E501 K502 V503 W513 L516 L517	I495-I499 HydrophobicContact CG2-CD1 3.89Å; I495-I499 HydrophobicContact CG2-CG1 4.29Å; I495-I499 VanDerWaalsContact O-CG1 3.3Å; I495-I499 WeakPolarHBondContact O-CG1 3.46Å; I495-I499 PolarHBondContact O-N 3.38Å; Q496-I499 PolarHBondContact O-N 2.98Å; T497-I499 VanDerWaalsContact C-N 3.32Å; T497-I499 PolarHBondContact O-N 3.24Å; I499-E501 VanDerWaalsContact C-N 3.3Å; I499-E501 PolarHBondContact O-N 3.14Å; I499-K502 PolarHBondContact O-N 3.3Å; I499-V503 HydrophobicContact CG2-CG2 4.37Å; I499-V503 WeakPolarHBondContact O-CG2 3.38Å; I499-V503 PolarHBondContact O-N 3.48Å; I499-W513 HydrophobicContact CB-CB 4.39Å; I499-W513 HydrophobicContact CD1-CB 4.15Å; I499-W513 HydrophobicContact CG1-CB 3.86Å; I499-W513 HydrophobicContact CG2-CB 3.86Å; I499-L516 HydrophobicContact CD1-CB 4.38Å; I499-L517 HydrophobicContact CD1-CD1 3.95Å; I499-L517 HydrophobicContact CD1-CD2 3.94Å; I499-L517 HydrophobicContact CD1-CG 3.61Å
500	N	96.4	Very high	95	Very high	85 Å²	85	75.8 Å²	75.8	46%	0.455	38%	0.375	S	S	.	.	H	α-helix	trans	-59.3	-42.2	179.4	-67.8	-14	0	0	0	111.6	Q496 T497 V503 L504	Q496-N500 PolarHBondContact NE2-OD1 2.69Å; Q496-N500 VanDerWaalsContact NE2-OD1 3.09Å; Q496-N500 VanDerWaalsContact O-CG 3.23Å; Q496-N500 PolarHBondContact O-N 3.36Å; Q496-N500 PolarHBondContact O-ND2 3.43Å; Q496-N500 PolarHBondContact O-OD1 2.93Å; T497-N500 PolarHBondContact O-N 2.73Å; N500-V503 PolarHBondContact O-N 3.14Å; N500-L504 VanDerWaalsContact O-CB 3.32Å; N500-L504 WeakPolarHBondContact O-CB 3.24Å; N500-L504 PolarHBondContact O-N 2.94Å
501	E	96.2	Very high	95	Very high	94 Å²	94	77 Å²	77	44%	0.439	38%	0.38	S	S	.	.	H	α-helix	trans	-62.8	-44.1	175.7	-72.9	-177.6	-165.8	0	0	113	T497 R498 I499 L504 K505	T497-E501 WeakPolarHBondContact O-CG 3.38Å; T497-E501 PolarHBondContact O-N 3.06Å; R498-E501 PolarHBondContact O-N 2.93Å; I499-E501 VanDerWaalsContact C-N 3.3Å; I499-E501 PolarHBondContact O-N 3.14Å; E501-L504 PolarHBondContact O-N 3.07Å; E501-K505 WeakPolarHBondContact O-CB 3.44Å; E501-K505 VanDerWaalsContact O-CG 3.31Å; E501-K505 WeakPolarHBondContact O-CG 3.3Å; E501-K505 PolarHBondContact O-N 3.11Å; E501-K505 IonicContact OE2-NZ 3.05Å
502	K	95.4	Very high	94.9	Very high	52 Å²	52	79.7 Å²	79.7	23%	0.226	40%	0.395	C	S	.	.	H	α-helix	trans	-63.2	-44.3	178	-77.7	-178.1	158.9	-71.7	0	111.8	R498 I499 L504 K505 K506 E507 W513	R498-K502 WeakPolarHBondContact O-CG 3.45Å; R498-K502 PolarHBondContact O-N 3.49Å; I499-K502 PolarHBondContact O-N 3.3Å; K502-L504 VanDerWaalsContact C-N 3.33Å; K502-L504 PolarHBondContact O-N 3.42Å; K502-K505 CarbonylContact O-C 3.56Å; K502-K505 PolarHBondContact O-N 2.99Å; K502-K506 PolarHBondContact O-N 3.28Å; K502-K506 VanDerWaalsContact O-N 3.13Å; K502-E507 HydrophobicContact CB-CB 4.3Å; K502-E507 IonicContact NZ-OE2 2.97Å; K502-E507 PolarHBondContact NZ-OE2 2.92Å; K502-E507 PolarHBondContact O-N 2.82Å; K502-W513 HydrophobicContact CD-CD2 4.05Å; K502-W513 HydrophobicContact CD-CE3 4.22Å; K502-W513 HydrophobicContact CD-CH2 3.9Å; K502-W513 HydrophobicContact CD-CZ2 3.7Å; K502-W513 HydrophobicContact CD-CZ3 4.14Å
503	V	96.1	Very high	94.9	Very high	56 Å²	56	79.5 Å²	79.5	34%	0.339	40%	0.395	S	S	.	.	H	α-helix	trans	-61.7	-42.8	175.3	173.5	0	0	0	0	110.8	I499 N500 K505 K506 W510	I499-V503 HydrophobicContact CG2-CG2 4.37Å; I499-V503 WeakPolarHBondContact O-CG2 3.38Å; I499-V503 PolarHBondContact O-N 3.48Å; N500-V503 PolarHBondContact O-N 3.14Å; V503-K505 PolarHBondContact O-N 3.37Å; V503-K506 PolarHBondContact O-N 3.01Å; V503-W510 HydrophobicContact CG2-CB 4.46Å
504	L	96.5	Very high	94.8	Very high	148 Å²	148	80 Å²	80	78%	0.775	39%	0.387	S	S	*	.	H	α-helix	trans	-63.9	-39.1	177.2	-176.4	64	0	0	0	112.4	N500 E501 K502 K506	N500-L504 VanDerWaalsContact O-CB 3.32Å; N500-L504 WeakPolarHBondContact O-CB 3.24Å; N500-L504 PolarHBondContact O-N 2.94Å; E501-L504 PolarHBondContact O-N 3.07Å; K502-L504 VanDerWaalsContact C-N 3.33Å; K502-L504 PolarHBondContact O-N 3.42Å; L504-K506 PolarHBondContact O-N 3.35Å
505	K	97	Very high	94.8	Very high	127 Å²	127	75.3 Å²	75.3	55%	0.552	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-1.3	174.4	-70.3	170.7	-175.6	164.9	0	113.5	E501 K502 V503 E507	E501-K505 WeakPolarHBondContact O-CB 3.44Å; E501-K505 VanDerWaalsContact O-CG 3.31Å; E501-K505 WeakPolarHBondContact O-CG 3.3Å; E501-K505 PolarHBondContact O-N 3.11Å; E501-K505 IonicContact OE2-NZ 3.05Å; K502-K505 CarbonylContact O-C 3.56Å; K502-K505 PolarHBondContact O-N 2.99Å; V503-K505 PolarHBondContact O-N 3.37Å; K505-E507 HydrophobicContact CB-CG 4.08Å; K505-E507 PolarHBondContact O-N 2.84Å
506	K	95.4	Very high	94.9	Very high	188 Å²	188	75.6 Å²	75.6	82%	0.817	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	25.7	-175.7	-52.8	176.5	174.1	175.9	0	113.4	K502 V503 L504 G508	K502-K506 PolarHBondContact O-N 3.28Å; K502-K506 VanDerWaalsContact O-N 3.13Å; V503-K506 PolarHBondContact O-N 3.01Å; L504-K506 PolarHBondContact O-N 3.35Å; K506-G508 PolarHBondContact O-N 3.45Å
507	E	94.6	Very high	94.9	Very high	93 Å²	93	73.1 Å²	73.1	44%	0.435	36%	0.36	S	S	.	.	S	Bend	trans	-82.5	56.5	172.3	-65	178	-165.5	0	0	110.2	K502 K505 W513	K502-E507 HydrophobicContact CB-CB 4.3Å; K502-E507 IonicContact NZ-OE2 2.97Å; K502-E507 PolarHBondContact NZ-OE2 2.92Å; K502-E507 PolarHBondContact O-N 2.82Å; K505-E507 HydrophobicContact CB-CG 4.08Å; K505-E507 PolarHBondContact O-N 2.84Å; E507-W513 VanDerWaalsContact O-CZ2 3.23Å; E507-W513 WeakPolarHBondContact O-CZ2 3.31Å; E507-W513 PolarHBondContact O-NE1 3.16Å
508	G	93.5	Very high	94.8	Very high	32 Å²	32	73.3 Å²	73.3	33%	0.33	36%	0.358	S	S	.	.	S	Bend	trans	92.9	176.8	-173.4	0	0	0	0	0	114.1	K506	K506-G508 PolarHBondContact O-N 3.45Å
509	T	94.9	Very high	94.9	Very high	73 Å²	73	70.1 Å²	70.1	45%	0.448	35%	0.345	S	S	.	.			trans	-103.4	167.7	-176.6	68.8	0	0	0	0	111	I511 D512	T509-I511 PolarHBondContact O-N 3.47Å; T509-D512 WeakPolarHBondContact CB-OD2 3.46Å; T509-D512 PolarHBondContact N-OD2 3.31Å; T509-D512 WeakPolarHBondContact O-CB 3.46Å; T509-D512 PolarHBondContact O-N 3.47Å; T509-D512 PolarHBondContact OG1-OD2 3.47Å
510	W	93.2	Very high	95	Very high	115 Å²	115	70.2 Å²	70.2	44%	0.436	35%	0.347	S	S	.	.	H	α-helix	trans	-54.6	-36.6	174.8	179.2	88.8	0	0	0	112.6	V503 D512 W513 Q514	V503-W510 HydrophobicContact CG2-CB 4.46Å; W510-D512 PolarHBondContact O-N 3.11Å; W510-W513 PolarHBondContact O-N 2.84Å; W510-W513 VanDerWaalsContact O-N 3.08Å; W510-Q514 HydrophobicContact CD2-CB 4.22Å; W510-Q514 HydrophobicContact CE3-CB 4.26Å; W510-Q514 HydrophobicContact CH2-CB 3.87Å; W510-Q514 HydrophobicContact CH2-CG 4.44Å; W510-Q514 HydrophobicContact CZ2-CB 3.81Å; W510-Q514 HydrophobicContact CZ3-CB 4.1Å; W510-Q514 HydrophobicContact CZ3-CG 4.35Å; W510-Q514 PolarHBondContact O-N 3.42Å
511	I	92	Very high	94.9	Very high	110 Å²	110	67.6 Å²	67.6	56%	0.564	33%	0.333	S	S	*	.	H	α-helix	trans	-62.2	-32	178.1	-62.2	172.7	0	0	0	111.7	T509 W513	T509-I511 PolarHBondContact O-N 3.47Å; I511-W513 PolarHBondContact O-N 3.18Å
512	D	92.5	Very high	94.9	Very high	67 Å²	67	63.8 Å²	63.8	36%	0.358	32%	0.316	S	S	.	.	H	α-helix	trans	-71.3	-22.4	179.5	-60.6	-56.6	0	0	0	112.1	T509 W510 Y515	T509-D512 WeakPolarHBondContact CB-OD2 3.46Å; T509-D512 PolarHBondContact N-OD2 3.31Å; T509-D512 WeakPolarHBondContact O-CB 3.46Å; T509-D512 PolarHBondContact O-N 3.47Å; T509-D512 PolarHBondContact OG1-OD2 3.47Å; W510-D512 PolarHBondContact O-N 3.11Å; D512-Y515 VanDerWaalsContact O-CD1 3.28Å; D512-Y515 WeakPolarHBondContact O-CD1 3.49Å; D512-Y515 WeakPolarHBondContact O-CE1 3.33Å
513	W	94.2	Very high	94.9	Very high	53 Å²	53	61.3 Å²	61.3	20%	0.201	31%	0.305	C	S	.	.	H	α-helix	trans	-118.1	-18.5	-170.4	-58.9	113.2	0	0	0	115.5	I499 K502 E507 W510 I511 Y515 L516	I499-W513 HydrophobicContact CB-CB 4.39Å; I499-W513 HydrophobicContact CD1-CB 4.15Å; I499-W513 HydrophobicContact CG1-CB 3.86Å; I499-W513 HydrophobicContact CG2-CB 3.86Å; K502-W513 HydrophobicContact CD-CD2 4.05Å; K502-W513 HydrophobicContact CD-CE3 4.22Å; K502-W513 HydrophobicContact CD-CH2 3.9Å; K502-W513 HydrophobicContact CD-CZ2 3.7Å; K502-W513 HydrophobicContact CD-CZ3 4.14Å; E507-W513 VanDerWaalsContact O-CZ2 3.23Å; E507-W513 WeakPolarHBondContact O-CZ2 3.31Å; E507-W513 PolarHBondContact O-NE1 3.16Å; W510-W513 PolarHBondContact O-N 2.84Å; W510-W513 VanDerWaalsContact O-N 3.08Å; I511-W513 PolarHBondContact O-N 3.18Å; W513-Y515 HydrophobicContact CE3-CE1 4.33Å; W513-Y515 PolarHBondContact O-N 2.92Å; W513-L516 HydrophobicContact CE3-CD1 4.19Å; W513-L516 PolarHBondContact O-N 3.37Å
514	Q	93.2	Very high	94.9	Very high	66 Å²	66	60.8 Å²	60.8	31%	0.308	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-26.9	-178.1	64.4	177.3	-24.8	0	0	113.9	W510 L516 L517 L518	W510-Q514 HydrophobicContact CD2-CB 4.22Å; W510-Q514 HydrophobicContact CE3-CB 4.26Å; W510-Q514 HydrophobicContact CH2-CB 3.87Å; W510-Q514 HydrophobicContact CH2-CG 4.44Å; W510-Q514 HydrophobicContact CZ2-CB 3.81Å; W510-Q514 HydrophobicContact CZ3-CB 4.1Å; W510-Q514 HydrophobicContact CZ3-CG 4.35Å; W510-Q514 PolarHBondContact O-N 3.42Å; Q514-L516 PolarHBondContact O-N 2.85Å; Q514-L516 VanDerWaalsContact O-N 3.15Å; Q514-L517 WeakPolarHBondContact O-CB 3.33Å; Q514-L517 PolarHBondContact O-N 3.15Å; Q514-L518 PolarHBondContact O-N 3.15Å
515	Y	94.5	Very high	94.8	Very high	18 Å²	18	54.5 Å²	54.5	7%	0.071	26%	0.264	C	S	.	.	H	α-helix	trans	-59.4	-26.4	178.7	76.8	-85.8	0	0	0	112.9	D512 W513 L518 A519 R575 L578 Q579	D512-Y515 VanDerWaalsContact O-CD1 3.28Å; D512-Y515 WeakPolarHBondContact O-CD1 3.49Å; D512-Y515 WeakPolarHBondContact O-CE1 3.33Å; W513-Y515 HydrophobicContact CE3-CE1 4.33Å; W513-Y515 PolarHBondContact O-N 2.92Å; Y515-L518 PolarHBondContact O-N 3.06Å; Y515-A519 WeakPolarHBondContact O-CB 3.2Å; Y515-A519 PolarHBondContact O-N 2.86Å; Y515-R575 HydrophobicContact CD2-CG 4.3Å; Y515-R575 HydrophobicContact CE1-CG 4.27Å; Y515-R575 HydrophobicContact CE2-CB 4.49Å; Y515-R575 HydrophobicContact CE2-CG 4.04Å; Y515-L578 HydrophobicContact CD2-CD2 3.91Å; Y515-L578 HydrophobicContact CE2-CD1 4.44Å; Y515-L578 HydrophobicContact CE2-CD2 4.03Å; Y515-Q579 HydrophobicContact CD2-CG 4.37Å
516	L	95.8	Very high	94.8	Very high	7 Å²	7	48.5 Å²	48.5	4%	0.037	24%	0.238	C	C	.	.	H	α-helix	trans	-69.8	-33.2	175.8	-64.9	174.8	0	0	0	112.4	I495 I499 W513 Q514 A519 A520 A570 L578	I495-L516 HydrophobicContact CG2-CB 3.66Å; I495-L516 HydrophobicContact CG2-CD1 4.49Å; I499-L516 HydrophobicContact CD1-CB 4.38Å; W513-L516 HydrophobicContact CE3-CD1 4.19Å; W513-L516 PolarHBondContact O-N 3.37Å; Q514-L516 PolarHBondContact O-N 2.85Å; Q514-L516 VanDerWaalsContact O-N 3.15Å; L516-A519 WeakPolarHBondContact O-CB 3.34Å; L516-A520 PolarHBondContact O-N 3Å; L516-A520 VanDerWaalsContact O-N 3.09Å; L516-A570 HydrophobicContact CD2-CB 3.64Å; L516-L578 HydrophobicContact CD2-CD1 4.08Å
517	L	95.7	Very high	94.8	Very high	5 Å²	5	39.5 Å²	39.5	3%	0.026	20%	0.199	C	C	.	.	H	α-helix	trans	-71.6	-44.4	174.3	-59.4	175.1	0	0	0	109.9	I495 Q496 I499 Q514 A519 A520 D521	I495-L517 HydrophobicContact CB-CD2 4.24Å; I495-L517 HydrophobicContact CG2-CD2 3.67Å; I495-L517 HydrophobicContact CG2-CG 4.45Å; Q496-L517 HydrophobicContact CB-CD2 4.25Å; I499-L517 HydrophobicContact CD1-CD1 3.95Å; I499-L517 HydrophobicContact CD1-CD2 3.94Å; I499-L517 HydrophobicContact CD1-CG 3.61Å; Q514-L517 WeakPolarHBondContact O-CB 3.33Å; Q514-L517 PolarHBondContact O-N 3.15Å; L517-A519 PolarHBondContact O-N 3.21Å; L517-A520 WeakPolarHBondContact O-CB 3.39Å; L517-A520 PolarHBondContact O-N 3.32Å; L517-A520 VanDerWaalsContact O-N 3.11Å; L517-D521 PolarHBondContact O-N 3.44Å
518	L	95.1	Very high	94.8	Very high	81 Å²	81	36 Å²	36	42%	0.424	18%	0.182	S	C	.	.	H	α-helix	trans	-58.7	-36.6	173.6	-175	64.2	0	0	0	111.9	Q514 Y515 D521 T522 M582	Q514-L518 PolarHBondContact O-N 3.15Å; Y515-L518 PolarHBondContact O-N 3.06Å; L518-D521 PolarHBondContact O-N 3.47Å; L518-T522 WeakPolarHBondContact O-CB 3.48Å; L518-T522 PolarHBondContact O-N 3.34Å; L518-T522 PolarHBondContact O-OG1 3.43Å; L518-M582 HydrophobicContact CB-CE 3.87Å; L518-M582 HydrophobicContact CD2-CE 3.77Å; L518-M582 HydrophobicContact CG-CE 3.48Å; L518-M582 VanDerWaalsContact CG-CE 3.48Å
519	A	96.5	Very high	95	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.5	-47.5	174.2	0	0	0	0	0	112	Y515 L516 L517 D521 T522 L523 I567 L578 M582	Y515-A519 WeakPolarHBondContact O-CB 3.2Å; Y515-A519 PolarHBondContact O-N 2.86Å; L516-A519 WeakPolarHBondContact O-CB 3.34Å; L517-A519 PolarHBondContact O-N 3.21Å; A519-D521 VanDerWaalsContact C-N 3.31Å; A519-D521 PolarHBondContact O-N 3.11Å; A519-T522 PolarHBondContact O-N 2.96Å; A519-L523 WeakPolarHBondContact O-CB 3.31Å; A519-L523 PolarHBondContact O-N 3.31Å; A519-I567 HydrophobicContact CB-CD1 3.71Å; A519-I567 HydrophobicContact CB-CG1 3.77Å; A519-I567 WeakPolarHBondContact O-CD1 3.5Å; A519-L578 HydrophobicContact CB-CD2 3.62Å; A519-M582 VanDerWaalsContact CA-SD 3.54Å; A519-M582 HydrophobicContact CB-CE 4.07Å; A519-M582 HydrophobicContact CB-CG 3.89Å; A519-M582 HydrophobicContact CB-SD 3.4Å; A519-M582 WeakPolarHBondContact CB-SD 3.36Å
520	A	96.4	Very high	95	Very high	5 Å²	5	31.1 Å²	31.1	4%	0.041	15%	0.145	C	C	.	.	H	α-helix	trans	-61.6	-39.1	176.4	0	0	0	0	0	111.9	R492 I495 L516 L517 L523 R524	R492-A520 HydrophobicContact CB-CB 4.28Å; R492-A520 HydrophobicContact CG-CB 4.01Å; I495-A520 HydrophobicContact CD1-CB 4.07Å; L516-A520 PolarHBondContact O-N 3Å; L516-A520 VanDerWaalsContact O-N 3.09Å; L517-A520 WeakPolarHBondContact O-CB 3.39Å; L517-A520 PolarHBondContact O-N 3.32Å; L517-A520 VanDerWaalsContact O-N 3.11Å; A520-L523 PolarHBondContact O-N 2.96Å; A520-R524 WeakPolarHBondContact O-CB 3.48Å; A520-R524 PolarHBondContact O-N 3.27Å
521	D	94.1	Very high	95.2	Very high	29 Å²	29	25.9 Å²	25.9	16%	0.155	13%	0.126	C	C	.	.	H	α-helix	trans	-69.3	-39.9	176.6	-68.7	-35	0	0	0	112.1	R492 L517 L518 A519 R524 N525	R492-D521 IonicContact CZ-OD1 3.55Å; R492-D521 IonicContact CZ-OD2 3.32Å; R492-D521 IonicContact NE-OD1 3.61Å; R492-D521 PolarHBondContact NE-OD1 2.78Å; R492-D521 IonicContact NE-OD2 3.49Å; R492-D521 IonicContact NH2-OD1 2.86Å; R492-D521 IonicContact NH2-OD2 2.78Å; R492-D521 PolarHBondContact NH2-OD2 2.84Å; L517-D521 PolarHBondContact O-N 3.44Å; L518-D521 PolarHBondContact O-N 3.47Å; A519-D521 VanDerWaalsContact C-N 3.31Å; A519-D521 PolarHBondContact O-N 3.11Å; D521-R524 PolarHBondContact O-N 2.82Å; D521-N525 WeakPolarHBondContact O-CB 3.17Å; D521-N525 VanDerWaalsContact O-CG 3.23Å; D521-N525 PolarHBondContact O-N 2.74Å; D521-N525 PolarHBondContact O-ND2 3.3Å
522	T	95.8	Very high	95.4	Very high	14 Å²	14	21 Å²	21	9%	0.086	10%	0.101	C	C	.	.	H	α-helix	trans	-61.5	-45.7	173.6	-57.2	0	0	0	0	110.9	L518 A519 N525 C526 L563 M582 C585 E586	L518-T522 WeakPolarHBondContact O-CB 3.48Å; L518-T522 PolarHBondContact O-N 3.34Å; L518-T522 PolarHBondContact O-OG1 3.43Å; A519-T522 PolarHBondContact O-N 2.96Å; T522-N525 PolarHBondContact O-N 3.36Å; T522-C526 WeakPolarHBondContact O-CB 3.44Å; T522-C526 PolarHBondContact O-N 2.95Å; T522-C526 PolarHBondContact O-SG 3.01Å; T522-L563 HydrophobicContact CG2-CD2 4.27Å; T522-M582 HydrophobicContact CG2-CB 4.3Å; T522-C585 HydrophobicContact CG2-CB 4.42Å; T522-E586 HydrophobicContact CG2-CB 4.17Å
523	L	97.1	Very high	95.6	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	8%	0.083	C	C	.	.	H	α-helix	trans	-58.3	-50.4	175.6	177.8	64.2	0	0	0	111.1	E488 A519 A520 N525 C526 R527 V560 L563 I567	E488-L523 HydrophobicContact CG-CD2 3.89Å; E488-L523 HydrophobicContact CG-CG 4.49Å; E488-L523 VanDerWaalsContact OE1-CD2 3.24Å; E488-L523 WeakPolarHBondContact OE1-CD2 3.29Å; E488-L523 WeakPolarHBondContact OE1-CG 3.37Å; A519-L523 WeakPolarHBondContact O-CB 3.31Å; A519-L523 PolarHBondContact O-N 3.31Å; A520-L523 PolarHBondContact O-N 2.96Å; L523-N525 VanDerWaalsContact C-N 3.35Å; L523-N525 PolarHBondContact O-N 3.39Å; L523-C526 PolarHBondContact O-N 3.47Å; L523-R527 WeakPolarHBondContact O-CB 3.48Å; L523-R527 PolarHBondContact O-N 2.79Å; L523-V560 HydrophobicContact CD1-CG1 3.8Å; L523-V560 WeakPolarHBondContact CD1-O 3.4Å; L523-L563 HydrophobicContact CB-CD2 4.07Å; L523-L563 HydrophobicContact CB-CG 4.46Å; L523-L563 HydrophobicContact CD1-CB 4.49Å; L523-L563 HydrophobicContact CD1-CD2 4.42Å; L523-L563 HydrophobicContact CD1-CG 4.43Å; L523-I567 HydrophobicContact CB-CD1 3.98Å; L523-I567 HydrophobicContact CD2-CD1 3.83Å; L523-I567 HydrophobicContact CG-CD1 4.5Å
524	R	95.1	Very high	95.6	Very high	44 Å²	44	15.4 Å²	15.4	17%	0.166	7%	0.074	C	C	.	.	H	α-helix	trans	-55.5	-48	176.3	-180	-177.1	172.9	-108	-2.5	111.3	E361 L485 A520 D521 R527 Y528	E361-R524 IonicContact OE2-NH1 2.91Å; E361-R524 IonicContact OE2-NH2 2.71Å; L485-R524 HydrophobicContact CD2-CG 3.9Å; A520-R524 WeakPolarHBondContact O-CB 3.48Å; A520-R524 PolarHBondContact O-N 3.27Å; D521-R524 PolarHBondContact O-N 2.82Å; R524-R527 PolarHBondContact O-N 3.25Å; R524-Y528 VanDerWaalsContact O-CB 3.22Å; R524-Y528 WeakPolarHBondContact O-CB 3.26Å; R524-Y528 PolarHBondContact O-N 3.15Å
525	N	93.6	Very high	95.7	Very high	17 Å²	17	12.2 Å²	12.2	9%	0.091	6%	0.059	C	C	.	.	H	α-helix	trans	-62.9	-44.6	-179.3	-73.1	-28.7	0	0	0	112.5	D521 T522 L523 T529	D521-N525 WeakPolarHBondContact O-CB 3.17Å; D521-N525 VanDerWaalsContact O-CG 3.23Å; D521-N525 PolarHBondContact O-N 2.74Å; D521-N525 PolarHBondContact O-ND2 3.3Å; T522-N525 PolarHBondContact O-N 3.36Å; L523-N525 VanDerWaalsContact C-N 3.35Å; L523-N525 PolarHBondContact O-N 3.39Å; N525-T529 PolarHBondContact O-N 2.84Å; N525-T529 PolarHBondContact O-OG1 2.84Å
526	C	97	Very high	95.7	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-64.1	-45.8	177.2	-65.4	0	0	0	0	111.2	T522 L523 Y528 T529 L530 L556 V560	T522-C526 WeakPolarHBondContact O-CB 3.44Å; T522-C526 PolarHBondContact O-N 2.95Å; T522-C526 PolarHBondContact O-SG 3.01Å; L523-C526 PolarHBondContact O-N 3.47Å; C526-Y528 PolarHBondContact O-N 3.2Å; C526-T529 WeakPolarHBondContact O-CB 3.48Å; C526-T529 PolarHBondContact O-N 2.97Å; C526-L530 WeakPolarHBondContact O-CG 3.4Å; C526-L530 PolarHBondContact O-N 2.89Å; C526-L556 HydrophobicContact CB-CD1 4.14Å; C526-V560 HydrophobicContact CB-CG2 3.35Å
527	R	96.2	Very high	95.6	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-64.5	-40.8	178.9	-169.3	173.1	-63.3	-82.7	-0.6	112.6	G415 H481 S484 L485 E488 L523 R524 T529 L530 K531 E561	G415-R527 PolarHBondContact O-NH2 3.4Å; H481-R527 HydrophobicContact CB-CG 4.13Å; H481-R527 WeakPolarHBondContact ND1-CG 3.4Å; S484-R527 VanDerWaalsContact CB-CZ 3.49Å; S484-R527 PolarHBondContact OG-NH1 2.89Å; L485-R527 HydrophobicContact CD2-CB 4.02Å; L485-R527 HydrophobicContact CD2-CG 4.18Å; L485-R527 HydrophobicContact CG-CB 4.4Å; L485-R527 HydrophobicContact CG-CG 4.01Å; E488-R527 IonicContact OE1-CZ 2.75Å; E488-R527 IonicContact OE1-NE 3.12Å; E488-R527 PolarHBondContact OE1-NE 3.49Å; E488-R527 IonicContact OE1-NH2 3.67Å; E488-R527 PolarHBondContact OE1-NH2 3.32Å; E488-R527 WeakPolarHBondContact OE2-CD 3.3Å; E488-R527 IonicContact OE2-NE 3.38Å; E488-R527 PolarHBondContact OE2-NE 2.97Å; L523-R527 WeakPolarHBondContact O-CB 3.48Å; L523-R527 PolarHBondContact O-N 2.79Å; R524-R527 PolarHBondContact O-N 3.25Å; R527-T529 VanDerWaalsContact C-N 3.33Å; R527-T529 PolarHBondContact O-N 3.2Å; R527-L530 WeakPolarHBondContact O-CB 3.41Å; R527-L530 PolarHBondContact O-N 3.45Å; R527-K531 PolarHBondContact O-N 3.35Å; R527-E561 IonicContact CZ-OE1 3.99Å; R527-E561 IonicContact NH1-OE1 2.76Å; R527-E561 PolarHBondContact NH1-OE1 2.69Å; R527-E561 IonicContact NH2-OE1 2.88Å; R527-E561 PolarHBondContact NH2-OE1 3.39Å; R527-E561 IonicContact NH2-OE2 3.24Å
528	Y	95.4	Very high	95.4	Very high	20 Å²	20	12.6 Å²	12.6	8%	0.078	6%	0.062	C	C	.	.	H	α-helix	trans	-61.7	-42.9	174.9	-169.7	-92.5	0	0	0	111.5	Y370 L485 R524 C526 K531 Y532	Y370-Y528 HydrophobicContact CD1-CE1 4.01Å; Y370-Y528 PolarHBondContact N-OH 3.29Å; Y370-Y528 WeakPolarHBondContact O-CE1 3.29Å; Y370-Y528 PolarHBondContact O-OH 2.9Å; L485-Y528 HydrophobicContact CD1-CD2 4.02Å; R524-Y528 VanDerWaalsContact O-CB 3.22Å; R524-Y528 WeakPolarHBondContact O-CB 3.26Å; R524-Y528 PolarHBondContact O-N 3.15Å; C526-Y528 PolarHBondContact O-N 3.2Å; Y528-K531 WeakPolarHBondContact O-CB 3.33Å; Y528-K531 PolarHBondContact O-N 3.47Å; Y528-Y532 HydrophobicContact CD1-CD2 4.15Å; Y528-Y532 HydrophobicContact CD1-CE2 4.09Å; Y528-Y532 HydrophobicContact CD2-CE2 4.32Å; Y528-Y532 HydrophobicContact CE1-CD2 4.02Å; Y528-Y532 AromaticContact CE1-CE2 3.66Å; Y528-Y532 HydrophobicContact CE1-CE2 3.66Å; Y528-Y532 AromaticContact CE2-CE2 3.9Å; Y528-Y532 HydrophobicContact CE2-CE2 3.9Å; Y528-Y532 HydrophobicContact CG-CE2 4.43Å; Y528-Y532 AromaticContact CZ-CE2 3.59Å; Y528-Y532 VanDerWaalsContact O-CD2 3.29Å; Y528-Y532 WeakPolarHBondContact O-CD2 3.37Å; Y528-Y532 PolarHBondContact O-N 3.01Å
529	T	95.9	Very high	95.3	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.006	6%	0.059	C	C	.	.	H	α-helix	trans	-60.1	-48.3	173.7	-54.8	0	0	0	0	110.5	N525 C526 R527 K531 Y532 T533 R589 L592 L593	N525-T529 PolarHBondContact O-N 2.84Å; N525-T529 PolarHBondContact O-OG1 2.84Å; C526-T529 WeakPolarHBondContact O-CB 3.48Å; C526-T529 PolarHBondContact O-N 2.97Å; R527-T529 VanDerWaalsContact C-N 3.33Å; R527-T529 PolarHBondContact O-N 3.2Å; T529-K531 PolarHBondContact O-N 3.22Å; T529-Y532 CarbonylContact O-C 3.52Å; T529-Y532 PolarHBondContact O-N 3.45Å; T529-Y532 VanDerWaalsContact O-N 3.12Å; T529-T533 WeakPolarHBondContact O-CG2 3.27Å; T529-T533 PolarHBondContact O-N 3.03Å; T529-T533 VanDerWaalsContact O-N 3.1Å; T529-R589 HydrophobicContact CG2-CG 4.01Å; T529-R589 WeakPolarHBondContact OG1-CD 3.22Å; T529-R589 WeakPolarHBondContact OG1-CG 3.45Å; T529-L592 HydrophobicContact CG2-CD2 4.28Å; T529-L593 HydrophobicContact CG2-CD2 4.01Å; T529-L593 HydrophobicContact CG2-CG 4.22Å
530	L	96.5	Very high	94.7	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-58.1	-43.1	177	-77.6	173.5	0	0	0	112.8	C526 R527 Y532 T533 Y534 Q553 L556 E557 V560	C526-L530 WeakPolarHBondContact O-CG 3.4Å; C526-L530 PolarHBondContact O-N 2.89Å; R527-L530 WeakPolarHBondContact O-CB 3.41Å; R527-L530 PolarHBondContact O-N 3.45Å; L530-Y532 PolarHBondContact O-N 3.08Å; L530-T533 HydrophobicContact CD2-CG2 4.48Å; L530-T533 WeakPolarHBondContact O-CB 3.43Å; L530-T533 PolarHBondContact O-N 3.41Å; L530-T533 PolarHBondContact O-OG1 3.25Å; L530-Y534 VanDerWaalsContact O-CD2 3.23Å; L530-Y534 WeakPolarHBondContact O-CD2 3.36Å; L530-Q553 HydrophobicContact CD2-CG 4.15Å; L530-L556 HydrophobicContact CD1-CD2 4.47Å; L530-L556 HydrophobicContact CD1-CG 4.08Å; L530-L556 HydrophobicContact CD2-CB 4.1Å; L530-L556 HydrophobicContact CD2-CD2 3.84Å; L530-L556 HydrophobicContact CD2-CG 3.97Å; L530-L556 HydrophobicContact CG-CD2 3.82Å; L530-L556 HydrophobicContact CG-CG 3.95Å; L530-E557 HydrophobicContact CD1-CB 4.49Å; L530-E557 HydrophobicContact CD1-CG 3.72Å; L530-E557 HydrophobicContact CD2-CG 3.76Å; L530-E557 HydrophobicContact CG-CG 4.35Å; L530-V560 HydrophobicContact CD1-CB 4.07Å; L530-V560 HydrophobicContact CD1-CG1 4.17Å; L530-V560 HydrophobicContact CD1-CG2 3.87Å
531	K	96.5	Very high	93.4	Very high	6 Å²	6	18.4 Å²	18.4	3%	0.026	9%	0.085	C	C	.	.	H	α-helix	trans	-47.6	-51.2	173.4	178.9	-175.1	170.2	-169.8	0	110.1	W478 H481 E482 L485 R527 Y528 T529 T533 Y534 P535	W478-K531 HydrophobicContact CG-CG 4.3Å; H481-K531 HydrophobicContact CB-CB 3.82Å; H481-K531 HydrophobicContact CB-CG 4.42Å; E482-K531 HydrophobicContact CB-CD 4.31Å; E482-K531 WeakPolarHBondContact OE2-CE 3.42Å; E482-K531 IonicContact OE2-NZ 3.08Å; E482-K531 PolarHBondContact OE2-NZ 3.42Å; L485-K531 HydrophobicContact CD1-CD 4.06Å; R527-K531 PolarHBondContact O-N 3.35Å; Y528-K531 WeakPolarHBondContact O-CB 3.33Å; Y528-K531 PolarHBondContact O-N 3.47Å; T529-K531 PolarHBondContact O-N 3.22Å; K531-T533 VanDerWaalsContact C-N 3.32Å; K531-T533 PolarHBondContact O-N 3.47Å; K531-Y534 PolarHBondContact O-N 3.24Å; K531-P535 VanDerWaalsContact O-CD 3.29Å; K531-P535 WeakPolarHBondContact O-CD 3.18Å
532	Y	96	Very high	92.1	Very high	8 Å²	8	26.9 Å²	26.9	3%	0.031	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	3.3	-179.1	-63.2	-75.5	0	0	0	115	Y370 H371 T374 L379 Y528 T529 L530	Y370-Y532 WeakPolarHBondContact O-CE2 3.44Å; H371-Y532 HydrophobicContact CB-CD1 3.51Å; H371-Y532 HydrophobicContact CB-CD2 4.24Å; H371-Y532 HydrophobicContact CB-CE1 3.63Å; H371-Y532 HydrophobicContact CB-CE2 4.36Å; H371-Y532 HydrophobicContact CB-CG 3.83Å; H371-Y532 WeakPolarHBondContact O-CB 3.5Å; T374-Y532 PolarHBondContact OG1-O 3.42Å; L379-Y532 HydrophobicContact CD1-CD1 4.07Å; L379-Y532 HydrophobicContact CD1-CE1 3.73Å; Y528-Y532 HydrophobicContact CD1-CD2 4.15Å; Y528-Y532 HydrophobicContact CD1-CE2 4.09Å; Y528-Y532 HydrophobicContact CD2-CE2 4.32Å; Y528-Y532 HydrophobicContact CE1-CD2 4.02Å; Y528-Y532 AromaticContact CE1-CE2 3.66Å; Y528-Y532 HydrophobicContact CE1-CE2 3.66Å; Y528-Y532 AromaticContact CE2-CE2 3.9Å; Y528-Y532 HydrophobicContact CE2-CE2 3.9Å; Y528-Y532 HydrophobicContact CG-CE2 4.43Å; Y528-Y532 AromaticContact CZ-CE2 3.59Å; Y528-Y532 VanDerWaalsContact O-CD2 3.29Å; Y528-Y532 WeakPolarHBondContact O-CD2 3.37Å; Y528-Y532 PolarHBondContact O-N 3.01Å; T529-Y532 CarbonylContact O-C 3.52Å; T529-Y532 PolarHBondContact O-N 3.45Å; T529-Y532 VanDerWaalsContact O-N 3.12Å; L530-Y532 PolarHBondContact O-N 3.08Å
533	T	95.9	Very high	91.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-74.3	-28.7	166.1	62.3	0	0	0	0	112.3	P373 T529 L530 K531 H536 A537 F549 Q553 L592	P373-T533 HydrophobicContact CG-CG2 4.13Å; T529-T533 WeakPolarHBondContact O-CG2 3.27Å; T529-T533 PolarHBondContact O-N 3.03Å; T529-T533 VanDerWaalsContact O-N 3.1Å; L530-T533 HydrophobicContact CD2-CG2 4.48Å; L530-T533 WeakPolarHBondContact O-CB 3.43Å; L530-T533 PolarHBondContact O-N 3.41Å; L530-T533 PolarHBondContact O-OG1 3.25Å; K531-T533 VanDerWaalsContact C-N 3.32Å; K531-T533 PolarHBondContact O-N 3.47Å; T533-H536 WeakPolarHBondContact O-CB 3.28Å; T533-H536 PolarHBondContact O-N 3.03Å; T533-A537 WeakPolarHBondContact O-CB 3.22Å; T533-A537 PolarHBondContact O-N 3.4Å; T533-F549 HydrophobicContact CG2-CZ 4.05Å; T533-F549 WeakPolarHBondContact O-CZ 3.45Å; T533-Q553 PolarHBondContact OG1-NE2 3.2Å; T533-L592 HydrophobicContact CG2-CD1 3.92Å; T533-L592 HydrophobicContact CG2-CD2 3.98Å
534	Y	95.5	Very high	90.3	Very high	1 Å²	1	37.9 Å²	37.9	0%	0.004	17%	0.173	C	C	.	.	H	α-helix	trans	-71.3	-45.8	-176.4	-71.1	-77.5	0	0	0	114.6	Y474 R477 H481 L530 K531 H536 A537 F538 E557	Y474-Y534 AromaticContact CD1-CD1 3.84Å; Y474-Y534 HydrophobicContact CD1-CD1 3.84Å; R477-Y534 HydrophobicContact CB-CD1 3.7Å; R477-Y534 HydrophobicContact CB-CD2 4.1Å; R477-Y534 HydrophobicContact CB-CE1 3.37Å; R477-Y534 HydrophobicContact CB-CE2 3.8Å; R477-Y534 HydrophobicContact CB-CG 4.04Å; R477-Y534 WeakPolarHBondContact CD-OH 3.4Å; R477-Y534 HydrophobicContact CG-CE1 3.87Å; H481-Y534 AromaticContact CD2-CD2 3.98Å; H481-Y534 AromaticContact CD2-CE2 3.4Å; H481-Y534 WeakPolarHBondContact CD2-CE2 3.45Å; H481-Y534 AromaticContact NE2-CE2 3.44Å; H481-Y534 WeakPolarHBondContact NE2-CE2 3.47Å; L530-Y534 VanDerWaalsContact O-CD2 3.23Å; L530-Y534 WeakPolarHBondContact O-CD2 3.36Å; K531-Y534 PolarHBondContact O-N 3.24Å; Y534-H536 PolarHBondContact O-N 3.45Å; Y534-A537 PolarHBondContact O-N 2.67Å; Y534-F538 WeakPolarHBondContact O-CB 3.45Å; Y534-F538 PolarHBondContact O-N 3.25Å; Y534-E557 VanDerWaalsContact CZ-OE1 3.22Å; Y534-E557 PolarHBondContact OH-OE1 3.03Å; Y534-E557 PolarHBondContact OH-OE2 3.02Å
535	P	94.8	Very high	90	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-59.4	-38.6	170.8	-23.9	34.2	0	0	0	112.1	T374 T378 W382 K531 F538 Y539	T374-P535 HydrophobicContact CG2-CB 4.2Å; T378-P535 HydrophobicContact CG2-CB 4.49Å; T378-P535 WeakPolarHBondContact CG2-O 3.36Å; W382-P535 HydrophobicContact CB-CB 3.91Å; W382-P535 HydrophobicContact CB-CG 4.4Å; W382-P535 HydrophobicContact CD2-CB 3.76Å; W382-P535 HydrophobicContact CD2-CG 3.74Å; W382-P535 HydrophobicContact CE3-CB 4.11Å; W382-P535 HydrophobicContact CE3-CG 4.41Å; W382-P535 HydrophobicContact CG-CB 3.66Å; W382-P535 HydrophobicContact CG-CG 3.69Å; K531-P535 VanDerWaalsContact O-CD 3.29Å; K531-P535 WeakPolarHBondContact O-CD 3.18Å; P535-F538 PolarHBondContact O-N 3.44Å; P535-Y539 PolarHBondContact O-N 2.89Å; P535-Y539 VanDerWaalsContact O-N 3.16Å
536	H	94.1	Very high	89.8	Confident	12 Å²	12	42 Å²	42	6%	0.056	19%	0.188	C	C	.	.	H	α-helix	trans	-59.9	-49.9	175.8	-171.2	99.4	0	0	0	110.9	P373 T374 T533 Y534 G540 L543 F549	P373-H536 PolarHBondContact O-ND1 3.26Å; T374-H536 WeakPolarHBondContact OG1-CB 3.37Å; T374-H536 PolarHBondContact OG1-N 3.43Å; T374-H536 VanDerWaalsContact OG1-N 3.14Å; T533-H536 WeakPolarHBondContact O-CB 3.28Å; T533-H536 PolarHBondContact O-N 3.03Å; Y534-H536 PolarHBondContact O-N 3.45Å; H536-G540 WeakPolarHBondContact O-CA 3.46Å; H536-G540 PolarHBondContact O-N 2.99Å; H536-L543 WeakPolarHBondContact NE2-CD1 3.26Å; H536-F549 HydrophobicContact CB-CZ 4.15Å; H536-F549 AromaticContact CD2-CD2 3.93Å; H536-F549 AromaticContact CD2-CE2 3.42Å; H536-F549 VanDerWaalsContact CD2-CE2 3.42Å; H536-F549 WeakPolarHBondContact CD2-CE2 3.46Å; H536-F549 AromaticContact CD2-CZ 3.6Å; H536-F549 AromaticContact NE2-CE2 3.95Å
537	A	93.8	Very high	89.5	Confident	5 Å²	5	49.1 Å²	49.1	4%	0.041	22%	0.221	C	C	.	.	H	α-helix	trans	-65.1	-42.1	178.1	0	0	0	0	0	112.8	Y474 T533 Y534 Y539 G540 F549	Y474-A537 HydrophobicContact CD1-CB 4.05Å; Y474-A537 HydrophobicContact CE1-CB 3.43Å; Y474-A537 VanDerWaalsContact CE1-CB 3.43Å; T533-A537 WeakPolarHBondContact O-CB 3.22Å; T533-A537 PolarHBondContact O-N 3.4Å; Y534-A537 PolarHBondContact O-N 2.67Å; A537-Y539 PolarHBondContact O-N 2.74Å; A537-G540 PolarHBondContact O-N 2.93Å; A537-G540 VanDerWaalsContact O-N 3.16Å; A537-F549 HydrophobicContact CB-CE1 3.85Å
538	F	93.1	Very high	89.3	Confident	20 Å²	20	52 Å²	52	9%	0.088	24%	0.236	C	C	.	.	H	α-helix	trans	-60.8	-42.2	-179.4	177.2	-88.8	0	0	0	112.3	W382 K385 R470 Y471 Y474 Y534 P535	W382-F538 HydrophobicContact CE3-CB 4.27Å; W382-F538 HydrophobicContact CE3-CD1 4.08Å; W382-F538 HydrophobicContact CE3-CG 4.18Å; W382-F538 HydrophobicContact CZ3-CB 3.78Å; W382-F538 AromaticContact CZ3-CD1 3.93Å; W382-F538 HydrophobicContact CZ3-CD1 3.93Å; W382-F538 AromaticContact CZ3-CD2 4Å; W382-F538 HydrophobicContact CZ3-CD2 4Å; W382-F538 AromaticContact CZ3-CG 3.62Å; W382-F538 HydrophobicContact CZ3-CG 3.62Å; K385-F538 HydrophobicContact CD-CE1 4.05Å; K385-F538 HydrophobicContact CD-CZ 4.01Å; R470-F538 PolarHBondContact NH1-O 3.45Å; R470-F538 PolarHBondContact NH2-O 3.39Å; Y471-F538 AromaticContact CD2-CE2 3.98Å; Y471-F538 HydrophobicContact CD2-CE2 3.98Å; Y471-F538 HydrophobicContact CD2-CZ 4.25Å; Y471-F538 HydrophobicContact CG-CE2 4.39Å; Y474-F538 HydrophobicContact CD1-CB 4.14Å; Y474-F538 HydrophobicContact CD2-CB 4.08Å; Y474-F538 AromaticContact CD2-CD2 3.63Å; Y474-F538 HydrophobicContact CD2-CD2 3.63Å; Y474-F538 HydrophobicContact CD2-CG 4.34Å; Y474-F538 HydrophobicContact CE2-CD2 4.38Å; Y474-F538 HydrophobicContact CG-CB 3.85Å; Y474-F538 HydrophobicContact CG-CD2 4.03Å; Y474-F538 HydrophobicContact CG-CG 4.44Å; Y534-F538 WeakPolarHBondContact O-CB 3.45Å; Y534-F538 PolarHBondContact O-N 3.25Å; P535-F538 PolarHBondContact O-N 3.44Å
539	Y	92.2	Very high	89.3	Confident	92 Å²	92	51.1 Å²	51.1	36%	0.361	23%	0.233	S	C	.	.	H	α-helix	trans	-92	-6.1	176.6	-71.5	-71.7	0	0	0	113.2	T378 H381 W382 P535 A537 E541	T378-Y539 HydrophobicContact CG2-CD2 3.66Å; T378-Y539 HydrophobicContact CG2-CG 4.13Å; H381-Y539 HydrophobicContact CB-CE1 4.16Å; H381-Y539 HydrophobicContact CB-CE2 3.94Å; H381-Y539 PolarHBondContact O-OH 3.5Å; W382-Y539 HydrophobicContact CB-CE2 4.06Å; W382-Y539 HydrophobicContact CE3-CE2 4.08Å; P535-Y539 PolarHBondContact O-N 2.89Å; P535-Y539 VanDerWaalsContact O-N 3.16Å; A537-Y539 PolarHBondContact O-N 2.74Å; Y539-E541 PolarHBondContact O-N 3.46Å
540	G	83.4	Confident	89.1	Confident	9 Å²	9	51.4 Å²	51.4	9%	0.093	23%	0.234	C	C	.	.			trans	-89.8	23.1	-172.5	0	0	0	0	0	115.6	H536 A537 K542 L543	H536-G540 WeakPolarHBondContact O-CA 3.46Å; H536-G540 PolarHBondContact O-N 2.99Å; A537-G540 PolarHBondContact O-N 2.93Å; A537-G540 VanDerWaalsContact O-N 3.16Å; G540-K542 PolarHBondContact O-N 3.46Å; G540-L543 VanDerWaalsContact O-CB 3.23Å; G540-L543 WeakPolarHBondContact O-CB 3.32Å; G540-L543 WeakPolarHBondContact O-CD1 3.32Å; G540-L543 WeakPolarHBondContact O-CG 3.49Å; G540-L543 PolarHBondContact O-N 3.33Å
541	E	68.7	Low	88.9	Confident	108 Å²	108	57.5 Å²	57.5	51%	0.505	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-27	-178.7	-70	-174.7	166.2	0	0	113.6	R470 Y539	R470-E541 IonicContact CZ-OE1 3.38Å; R470-E541 IonicContact NE-OE1 3.31Å; R470-E541 PolarHBondContact NE-OE1 3.27Å; R470-E541 IonicContact NH2-OE1 2.87Å; R470-E541 PolarHBondContact NH2-OE1 3.03Å; Y539-E541 PolarHBondContact O-N 3.46Å
542	K	68	Low	88.8	Confident	206 Å²	206	58.2 Å²	58.2	90%	0.896	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	15.4	177.5	-60.8	-176.8	-178.3	177.4	0	113.7	G540 E544	G540-K542 PolarHBondContact O-N 3.46Å; K542-E544 PolarHBondContact O-N 2.93Å
543	L	73.9	Confident	88.7	Confident	51 Å²	51	57.9 Å²	57.9	27%	0.267	26%	0.26	S	S	.	.			trans	-62	122.5	174.1	-73.6	165.6	0	0	0	109.2	H536 G540 R545 K546	H536-L543 WeakPolarHBondContact NE2-CD1 3.26Å; G540-L543 VanDerWaalsContact O-CB 3.23Å; G540-L543 WeakPolarHBondContact O-CB 3.32Å; G540-L543 WeakPolarHBondContact O-CD1 3.32Å; G540-L543 WeakPolarHBondContact O-CG 3.49Å; G540-L543 PolarHBondContact O-N 3.33Å; L543-R545 PolarHBondContact O-N 3.47Å; L543-K546 HydrophobicContact CB-CB 4.18Å; L543-K546 PolarHBondContact O-N 3.37Å
544	E	81.4	Confident	88.6	Confident	196 Å²	196	58.2 Å²	58.2	92%	0.916	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-22.2	177.2	-170.7	174.9	-176.5	0	0	112.5	K542	K542-E544 PolarHBondContact O-N 2.93Å
545	R	89.1	Confident	88.5	Confident	102 Å²	102	60.5 Å²	60.5	39%	0.385	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.9	35.8	-176.8	-62.8	171.1	68.5	-163.6	7.9	113.1	L543 E547 L548 F549 E595 F596	L543-R545 PolarHBondContact O-N 3.47Å; R545-E547 PolarHBondContact O-N 3.42Å; R545-L548 PolarHBondContact O-N 2.73Å; R545-F549 PolarHBondContact O-N 2.92Å; R545-E595 IonicContact CZ-OE2 2.66Å; R545-E595 IonicContact NH1-OE2 2.7Å; R545-E595 PolarHBondContact NH1-OE2 3.28Å; R545-E595 VanDerWaalsContact NH2-CD 3.33Å; R545-E595 IonicContact NH2-OE1 3.89Å; R545-E595 IonicContact NH2-OE2 3.85Å; R545-E595 PolarHBondContact NH2-OE2 2.93Å; R545-F596 HydrophobicContact CB-CE1 3.98Å; R545-F596 HydrophobicContact CB-CZ 4.32Å
546	K	89.4	Confident	88.6	Confident	45 Å²	45	60.5 Å²	60.5	20%	0.196	28%	0.275	C	S	.	.	H	α-helix	trans	-51.9	-47.5	-178.3	-175.6	178.3	174	-176.3	0	113.3	E451 L543 L548 F549 E550	E451-K546 IonicContact OE1-NZ 2.59Å; E451-K546 PolarHBondContact OE1-NZ 3.23Å; E451-K546 VanDerWaalsContact OE1-NZ 3.12Å; L543-K546 HydrophobicContact CB-CB 4.18Å; L543-K546 PolarHBondContact O-N 3.37Å; K546-L548 VanDerWaalsContact C-N 3.34Å; K546-L548 PolarHBondContact O-N 3.18Å; K546-F549 WeakPolarHBondContact O-CB 3.1Å; K546-F549 PolarHBondContact O-N 2.71Å; K546-E550 WeakPolarHBondContact CE-OE1 3.45Å; K546-E550 HydrophobicContact CG-CG 4.42Å; K546-E550 WeakPolarHBondContact O-CG 3.49Å; K546-E550 PolarHBondContact O-N 2.64Å
547	E	90.1	Very high	88.6	Confident	149 Å²	149	60.1 Å²	60.1	70%	0.696	27%	0.273	S	S	*	.	H	α-helix	trans	-63.1	-39.3	-177.8	-65.7	-177.4	168.7	0	0	112.8	R545 Y551	R545-E547 PolarHBondContact O-N 3.42Å; E547-Y551 WeakPolarHBondContact O-CB 3.08Å; E547-Y551 PolarHBondContact O-N 3.13Å
548	L	92.4	Very high	88.6	Confident	61 Å²	61	61 Å²	61	32%	0.319	28%	0.28	S	S	.	.	H	α-helix	trans	-67.7	-40.5	176	179	64.5	0	0	0	111.1	R545 K546 Y551 Q552 F596	R545-L548 PolarHBondContact O-N 2.73Å; K546-L548 VanDerWaalsContact C-N 3.34Å; K546-L548 PolarHBondContact O-N 3.18Å; L548-Y551 PolarHBondContact O-N 3.07Å; L548-Q552 HydrophobicContact CD1-CG 4.26Å; L548-Q552 WeakPolarHBondContact O-CG 3.44Å; L548-Q552 PolarHBondContact O-N 3.01Å; L548-F596 HydrophobicContact CB-CZ 4.32Å; L548-F596 HydrophobicContact CD2-CZ 4.27Å; L548-F596 HydrophobicContact CG-CZ 4.15Å
549	F	93.9	Very high	88.7	Confident	1 Å²	1	61.9 Å²	61.9	0%	0.004	29%	0.285	C	S	.	.	H	α-helix	trans	-58.7	-52.3	175.3	177.9	-88.3	0	0	0	111.1	P373 T533 H536 A537 R545 K546 Y551 Q552 Q553 L592 F596	P373-F549 HydrophobicContact CG-CE2 4.18Å; T533-F549 HydrophobicContact CG2-CZ 4.05Å; T533-F549 WeakPolarHBondContact O-CZ 3.45Å; H536-F549 HydrophobicContact CB-CZ 4.15Å; H536-F549 AromaticContact CD2-CD2 3.93Å; H536-F549 AromaticContact CD2-CE2 3.42Å; H536-F549 VanDerWaalsContact CD2-CE2 3.42Å; H536-F549 WeakPolarHBondContact CD2-CE2 3.46Å; H536-F549 AromaticContact CD2-CZ 3.6Å; H536-F549 AromaticContact NE2-CE2 3.95Å; A537-F549 HydrophobicContact CB-CE1 3.85Å; R545-F549 PolarHBondContact O-N 2.92Å; K546-F549 WeakPolarHBondContact O-CB 3.1Å; K546-F549 PolarHBondContact O-N 2.71Å; F549-Y551 VanDerWaalsContact C-N 3.29Å; F549-Y551 PolarHBondContact O-N 3.13Å; F549-Q552 PolarHBondContact O-N 3.12Å; F549-Q553 HydrophobicContact CE1-CB 4.46Å; F549-Q553 WeakPolarHBondContact O-CB 3.34Å; F549-Q553 PolarHBondContact O-N 2.65Å; F549-L592 HydrophobicContact CE2-CD2 4.49Å; F549-F596 HydrophobicContact CB-CD1 4.3Å; F549-F596 HydrophobicContact CB-CE1 3.73Å; F549-F596 HydrophobicContact CB-CE2 4.04Å; F549-F596 HydrophobicContact CB-CZ 3.59Å; F549-F596 HydrophobicContact CD2-CB 4.16Å; F549-F596 AromaticContact CD2-CD1 3.83Å; F549-F596 HydrophobicContact CD2-CD1 3.83Å; F549-F596 AromaticContact CD2-CD2 3.78Å; F549-F596 HydrophobicContact CD2-CD2 3.78Å; F549-F596 HydrophobicContact CD2-CE1 4.13Å; F549-F596 HydrophobicContact CD2-CE2 4.08Å; F549-F596 AromaticContact CD2-CG 3.65Å; F549-F596 HydrophobicContact CD2-CG 3.65Å; F549-F596 HydrophobicContact CD2-CZ 4.25Å; F549-F596 HydrophobicContact CE2-CB 4.4Å; F549-F596 HydrophobicContact CE2-CG 4.36Å; F549-F596 HydrophobicContact CG-CE1 4.43Å; F549-F596 HydrophobicContact CG-CZ 4.45Å
550	E	92.7	Very high	88.9	Confident	8 Å²	8	57.5 Å²	57.5	4%	0.037	27%	0.267	C	S	.	.	H	α-helix	trans	-60.4	-39.2	179.4	-70.2	173.7	163.3	0	0	111.7	Y444 K448 K546 A554	Y444-E550 HydrophobicContact CE2-CB 4.34Å; K448-E550 WeakPolarHBondContact CD-OE2 3.44Å; K448-E550 VanDerWaalsContact CE-OE2 3.24Å; K448-E550 WeakPolarHBondContact CE-OE2 3.38Å; K448-E550 IonicContact NZ-OE2 3.88Å; K448-E550 PolarHBondContact NZ-OE2 3.36Å; K546-E550 WeakPolarHBondContact CE-OE1 3.45Å; K546-E550 HydrophobicContact CG-CG 4.42Å; K546-E550 WeakPolarHBondContact O-CG 3.49Å; K546-E550 PolarHBondContact O-N 2.64Å; E550-A554 WeakPolarHBondContact O-CB 3.15Å; E550-A554 PolarHBondContact O-N 3.06Å
551	Y	92.4	Very high	89.4	Confident	128 Å²	128	57.1 Å²	57.1	50%	0.502	26%	0.263	S	S	.	.	H	α-helix	trans	-63.5	-47.4	175	177	-107	0	0	0	112	E547 L548 F549 A554 L555	E547-Y551 WeakPolarHBondContact O-CB 3.08Å; E547-Y551 PolarHBondContact O-N 3.13Å; L548-Y551 PolarHBondContact O-N 3.07Å; F549-Y551 VanDerWaalsContact C-N 3.29Å; F549-Y551 PolarHBondContact O-N 3.13Å; Y551-A554 PolarHBondContact O-N 3.42Å; Y551-L555 HydrophobicContact CD1-CD1 3.93Å; Y551-L555 HydrophobicContact CE1-CD1 3.35Å; Y551-L555 HydrophobicContact CE1-CG 4.17Å; Y551-L555 HydrophobicContact CE2-CD1 4.22Å; Y551-L555 HydrophobicContact CE2-CD2 4.38Å; Y551-L555 HydrophobicContact CE2-CG 4.2Å; Y551-L555 WeakPolarHBondContact O-CG 3.37Å; Y551-L555 PolarHBondContact O-N 3.44Å
552	Q	93.6	Very high	90.6	Very high	21 Å²	21	54.4 Å²	54.4	10%	0.098	25%	0.252	C	S	.	.	H	α-helix	trans	-67.4	-37.1	178.8	-72.1	-175.6	0.2	0	0	112.7	L548 F549 L556 L592 F596	L548-Q552 HydrophobicContact CD1-CG 4.26Å; L548-Q552 WeakPolarHBondContact O-CG 3.44Å; L548-Q552 PolarHBondContact O-N 3.01Å; F549-Q552 PolarHBondContact O-N 3.12Å; Q552-L556 WeakPolarHBondContact O-CB 3.24Å; Q552-L556 PolarHBondContact O-N 3.41Å; Q552-L592 HydrophobicContact CB-CD1 4.4Å; Q552-F596 VanDerWaalsContact OE1-CE2 3.3Å
553	Q	94.9	Very high	92	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-60	-51.3	173.5	-177.8	-172.9	34.1	0	0	110.7	L530 T533 F549 L555 L556 E557	L530-Q553 HydrophobicContact CD2-CG 4.15Å; T533-Q553 PolarHBondContact OG1-NE2 3.2Å; F549-Q553 HydrophobicContact CE1-CB 4.46Å; F549-Q553 WeakPolarHBondContact O-CB 3.34Å; F549-Q553 PolarHBondContact O-N 2.65Å; Q553-L555 VanDerWaalsContact C-N 3.35Å; Q553-L555 PolarHBondContact O-N 3.1Å; Q553-L556 PolarHBondContact O-N 3.03Å; Q553-E557 PolarHBondContact O-N 2.83Å
554	A	93.5	Very high	93	Very high	6 Å²	6	42.3 Å²	42.3	5%	0.05	20%	0.198	C	C	.	.	H	α-helix	trans	-63.8	-38.2	179.9	0	0	0	0	0	112.8	Y444 E550 Y551 E557 A558	Y444-A554 HydrophobicContact CD2-CB 4.13Å; E550-A554 WeakPolarHBondContact O-CB 3.15Å; E550-A554 PolarHBondContact O-N 3.06Å; Y551-A554 PolarHBondContact O-N 3.42Å; A554-E557 PolarHBondContact O-N 3.15Å; A554-A558 PolarHBondContact O-N 3.41Å; A554-A558 VanDerWaalsContact O-N 3.09Å
555	L	93.9	Very high	93.6	Very high	50 Å²	50	37.3 Å²	37.3	26%	0.262	17%	0.171	S	C	.	.	H	α-helix	trans	-60.4	-51.5	172.3	-76.2	-179.9	0	0	0	111	Y551 Q553 E557 A558 E559	Y551-L555 HydrophobicContact CD1-CD1 3.93Å; Y551-L555 HydrophobicContact CE1-CD1 3.35Å; Y551-L555 HydrophobicContact CE1-CG 4.17Å; Y551-L555 HydrophobicContact CE2-CD1 4.22Å; Y551-L555 HydrophobicContact CE2-CD2 4.38Å; Y551-L555 HydrophobicContact CE2-CG 4.2Å; Y551-L555 WeakPolarHBondContact O-CG 3.37Å; Y551-L555 PolarHBondContact O-N 3.44Å; Q553-L555 VanDerWaalsContact C-N 3.35Å; Q553-L555 PolarHBondContact O-N 3.1Å; L555-E557 VanDerWaalsContact C-N 3.27Å; L555-E557 PolarHBondContact O-N 3.25Å; L555-A558 PolarHBondContact O-N 3.06Å; L555-E559 VanDerWaalsContact O-CG 3.27Å; L555-E559 WeakPolarHBondContact O-CG 3.46Å; L555-E559 PolarHBondContact O-N 3Å
556	L	95.8	Very high	93.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-61.3	-37.2	-179.9	-178.6	60	0	0	0	111.8	C526 L530 Q552 Q553 E559 V560 C585 H588 R589 L592	C526-L556 HydrophobicContact CB-CD1 4.14Å; L530-L556 HydrophobicContact CD1-CD2 4.47Å; L530-L556 HydrophobicContact CD1-CG 4.08Å; L530-L556 HydrophobicContact CD2-CB 4.1Å; L530-L556 HydrophobicContact CD2-CD2 3.84Å; L530-L556 HydrophobicContact CD2-CG 3.97Å; L530-L556 HydrophobicContact CG-CD2 3.82Å; L530-L556 HydrophobicContact CG-CG 3.95Å; Q552-L556 WeakPolarHBondContact O-CB 3.24Å; Q552-L556 PolarHBondContact O-N 3.41Å; Q553-L556 PolarHBondContact O-N 3.03Å; L556-E559 PolarHBondContact O-N 3.22Å; L556-V560 HydrophobicContact CD1-CG2 3.97Å; L556-V560 HydrophobicContact CG-CG2 4.21Å; L556-V560 VanDerWaalsContact O-CB 3.25Å; L556-V560 WeakPolarHBondContact O-CB 3.5Å; L556-V560 WeakPolarHBondContact O-CG2 3.26Å; L556-V560 PolarHBondContact O-N 2.94Å; L556-C585 WeakPolarHBondContact CD1-O 3.49Å; L556-H588 HydrophobicContact CB-CB 4.34Å; L556-H588 HydrophobicContact CD1-CB 3.93Å; L556-R589 HydrophobicContact CD1-CB 4.23Å; L556-R589 HydrophobicContact CD2-CB 4.22Å; L556-R589 HydrophobicContact CD2-CG 4.45Å; L556-L592 HydrophobicContact CD2-CD1 4.35Å
557	E	95.1	Very high	94.2	Very high	3 Å²	3	31.1 Å²	31.1	1%	0.014	15%	0.147	C	C	.	.	H	α-helix	trans	-59.6	-51.3	173.7	-84	177	-144.4	0	0	112.7	Y443 S447 L530 Y534 Q553 A554 L555 E559 V560 E561	Y443-E557 HydrophobicContact CD1-CB 4.31Å; S447-E557 WeakPolarHBondContact CB-OE2 3.4Å; S447-E557 PolarHBondContact OG-OE1 3.46Å; S447-E557 PolarHBondContact OG-OE2 2.88Å; L530-E557 HydrophobicContact CD1-CB 4.49Å; L530-E557 HydrophobicContact CD1-CG 3.72Å; L530-E557 HydrophobicContact CD2-CG 3.76Å; L530-E557 HydrophobicContact CG-CG 4.35Å; Y534-E557 VanDerWaalsContact CZ-OE1 3.22Å; Y534-E557 PolarHBondContact OH-OE1 3.03Å; Y534-E557 PolarHBondContact OH-OE2 3.02Å; Q553-E557 PolarHBondContact O-N 2.83Å; A554-E557 PolarHBondContact O-N 3.15Å; L555-E557 VanDerWaalsContact C-N 3.27Å; L555-E557 PolarHBondContact O-N 3.25Å; E557-E559 VanDerWaalsContact C-N 3.26Å; E557-E559 PolarHBondContact O-N 2.88Å; E557-V560 PolarHBondContact O-N 3.48Å; E557-E561 WeakPolarHBondContact O-CG 3.46Å; E557-E561 PolarHBondContact O-N 3.47Å
558	A	92.9	Very high	94.2	Very high	23 Å²	23	26.7 Å²	26.7	19%	0.19	13%	0.126	C	C	.	.	H	α-helix	trans	-58.9	-41.6	179	0	0	0	0	0	111.5	Y443 A554 L555 D562	Y443-A558 HydrophobicContact CD1-CB 4.34Å; Y443-A558 HydrophobicContact CD2-CB 3.77Å; Y443-A558 HydrophobicContact CE2-CB 4.1Å; Y443-A558 HydrophobicContact CG-CB 3.91Å; A554-A558 PolarHBondContact O-N 3.41Å; A554-A558 VanDerWaalsContact O-N 3.09Å; L555-A558 PolarHBondContact O-N 3.06Å; A558-D562 PolarHBondContact O-N 3.48Å
559	E	95.2	Very high	94.2	Very high	39 Å²	39	27 Å²	27	18%	0.182	13%	0.125	C	C	.	.	H	α-helix	trans	-67.4	-42.8	178.7	-62.7	-61.6	131.4	0	0	112.3	L555 L556 E557 D562 L563 K581 I584 C585	L555-E559 VanDerWaalsContact O-CG 3.27Å; L555-E559 WeakPolarHBondContact O-CG 3.46Å; L555-E559 PolarHBondContact O-N 3Å; L556-E559 PolarHBondContact O-N 3.22Å; E557-E559 VanDerWaalsContact C-N 3.26Å; E557-E559 PolarHBondContact O-N 2.88Å; E559-D562 PolarHBondContact O-N 2.92Å; E559-L563 WeakPolarHBondContact O-CB 3.38Å; E559-L563 PolarHBondContact O-N 3.31Å; E559-K581 WeakPolarHBondContact O-CE 3.44Å; E559-K581 IonicContact OE1-NZ 2.76Å; E559-K581 PolarHBondContact OE1-NZ 3.37Å; E559-K581 WeakPolarHBondContact OE2-CD 3.37Å; E559-K581 WeakPolarHBondContact OE2-CE 3.47Å; E559-K581 IonicContact OE2-NZ 2.83Å; E559-K581 PolarHBondContact OE2-NZ 3.31Å; E559-I584 HydrophobicContact CG-CG2 3.94Å; E559-I584 WeakPolarHBondContact OE2-CG2 3.48Å; E559-C585 PolarHBondContact O-SG 3.21Å; E559-C585 VanDerWaalsContact O-SG 3.33Å
560	V	96	Very high	94.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-62.7	-43.2	178.2	158.7	0	0	0	0	112.2	L523 C526 L530 L556 E557 L563 S564	L523-V560 HydrophobicContact CD1-CG1 3.8Å; L523-V560 WeakPolarHBondContact CD1-O 3.4Å; C526-V560 HydrophobicContact CB-CG2 3.35Å; L530-V560 HydrophobicContact CD1-CB 4.07Å; L530-V560 HydrophobicContact CD1-CG1 4.17Å; L530-V560 HydrophobicContact CD1-CG2 3.87Å; L556-V560 HydrophobicContact CD1-CG2 3.97Å; L556-V560 HydrophobicContact CG-CG2 4.21Å; L556-V560 VanDerWaalsContact O-CB 3.25Å; L556-V560 WeakPolarHBondContact O-CB 3.5Å; L556-V560 WeakPolarHBondContact O-CG2 3.26Å; L556-V560 PolarHBondContact O-N 2.94Å; E557-V560 PolarHBondContact O-N 3.48Å; V560-L563 PolarHBondContact O-N 3.37Å; V560-S564 WeakPolarHBondContact O-CB 3.18Å; V560-S564 PolarHBondContact O-N 3.17Å
561	E	94.8	Very high	94	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-69.3	-37.1	-179.1	-63.9	-52.3	143.2	0	0	111.8	C416 N417 Y443 R527 E557 S564 W565	C416-E561 VanDerWaalsContact CA-OE2 3.23Å; C416-E561 WeakPolarHBondContact CA-OE2 3.46Å; N417-E561 HydrophobicContact CB-CG 4.3Å; N417-E561 PolarHBondContact N-OE2 2.91Å; N417-E561 VanDerWaalsContact ND2-CD 3.32Å; N417-E561 PolarHBondContact ND2-OE1 3.5Å; N417-E561 VanDerWaalsContact ND2-OE1 3.11Å; Y443-E561 HydrophobicContact CE1-CG 4.29Å; Y443-E561 WeakPolarHBondContact OH-CB 3.35Å; R527-E561 IonicContact CZ-OE1 3.99Å; R527-E561 IonicContact NH1-OE1 2.76Å; R527-E561 PolarHBondContact NH1-OE1 2.69Å; R527-E561 IonicContact NH2-OE1 2.88Å; R527-E561 PolarHBondContact NH2-OE1 3.39Å; R527-E561 IonicContact NH2-OE2 3.24Å; E557-E561 WeakPolarHBondContact O-CG 3.46Å; E557-E561 PolarHBondContact O-N 3.47Å; E561-S564 WeakPolarHBondContact O-CB 3.35Å; E561-S564 PolarHBondContact O-N 3.26Å; E561-W565 PolarHBondContact O-N 3.12Å
562	D	93.9	Very high	94	Very high	52 Å²	52	34.8 Å²	34.8	28%	0.278	17%	0.171	S	C	.	.	H	α-helix	trans	-70.2	-35.8	173.1	178	46.5	0	0	0	112.3	A558 E559 W565 K566 K581	A558-D562 PolarHBondContact O-N 3.48Å; E559-D562 PolarHBondContact O-N 2.92Å; D562-W565 PolarHBondContact O-N 2.99Å; D562-K566 WeakPolarHBondContact O-CB 3.49Å; D562-K566 WeakPolarHBondContact O-CG 3.18Å; D562-K566 PolarHBondContact O-N 3Å; D562-K566 IonicContact OD1-NZ 3.41Å; D562-K566 PolarHBondContact OD1-NZ 3.49Å; D562-K566 IonicContact OD2-NZ 2.62Å; D562-K566 PolarHBondContact OD2-NZ 3.11Å; D562-K581 VanDerWaalsContact OD2-CD 3.3Å; D562-K581 WeakPolarHBondContact OD2-CD 3.41Å; D562-K581 WeakPolarHBondContact OD2-CE 3.22Å; D562-K581 IonicContact OD2-NZ 3.1Å; D562-K581 PolarHBondContact OD2-NZ 3.12Å
563	L	96.6	Very high	94	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-63.5	-43.7	171.3	179.6	59.3	0	0	0	111.7	T522 L523 E559 V560 W565 K566 I567 K581 M582 C585	T522-L563 HydrophobicContact CG2-CD2 4.27Å; L523-L563 HydrophobicContact CB-CD2 4.07Å; L523-L563 HydrophobicContact CB-CG 4.46Å; L523-L563 HydrophobicContact CD1-CB 4.49Å; L523-L563 HydrophobicContact CD1-CD2 4.42Å; L523-L563 HydrophobicContact CD1-CG 4.43Å; E559-L563 WeakPolarHBondContact O-CB 3.38Å; E559-L563 PolarHBondContact O-N 3.31Å; V560-L563 PolarHBondContact O-N 3.37Å; L563-W565 VanDerWaalsContact C-N 3.32Å; L563-W565 PolarHBondContact O-N 2.84Å; L563-K566 PolarHBondContact O-N 3.27Å; L563-I567 HydrophobicContact CD1-CD1 3.93Å; L563-I567 HydrophobicContact CD1-CG1 4.21Å; L563-I567 HydrophobicContact CG-CD1 3.82Å; L563-I567 WeakPolarHBondContact O-CG1 3.25Å; L563-I567 PolarHBondContact O-N 2.92Å; L563-K581 HydrophobicContact CB-CG 3.95Å; L563-K581 HydrophobicContact CD1-CB 4.31Å; L563-K581 HydrophobicContact CD1-CG 4.18Å; L563-M582 HydrophobicContact CD1-CG 3.73Å; L563-M582 HydrophobicContact CD2-CG 4.39Å; L563-C585 HydrophobicContact CD2-CB 4.09Å
564	S	95.9	Very high	93.9	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.014	20%	0.198	C	C	.	.	H	α-helix	trans	-57.4	-46.5	176.1	-171.6	0	0	0	0	111.2	C416 V560 E561 K566 I567 E568	C416-S564 PolarHBondContact N-OG 3.03Å; V560-S564 WeakPolarHBondContact O-CB 3.18Å; V560-S564 PolarHBondContact O-N 3.17Å; E561-S564 WeakPolarHBondContact O-CB 3.35Å; E561-S564 PolarHBondContact O-N 3.26Å; S564-K566 PolarHBondContact O-N 3.26Å; S564-I567 PolarHBondContact O-N 3.01Å; S564-E568 PolarHBondContact O-N 3.33Å; S564-E568 VanDerWaalsContact O-N 3.16Å
565	W	93.2	Very high	94	Very high	92 Å²	92	44.2 Å²	44.2	35%	0.348	21%	0.214	S	C	.	.	H	α-helix	trans	-60.2	-46.1	176.6	-174.1	92.6	0	0	0	112.3	H418 E561 D562 L563 I567 E568 H569 I572	H418-W565 AromaticContact ND1-CD1 3.82Å; E561-W565 PolarHBondContact O-N 3.12Å; D562-W565 PolarHBondContact O-N 2.99Å; L563-W565 VanDerWaalsContact C-N 3.32Å; L563-W565 PolarHBondContact O-N 2.84Å; W565-I567 VanDerWaalsContact C-N 3.34Å; W565-I567 PolarHBondContact O-N 3.43Å; W565-E568 PolarHBondContact O-N 2.89Å; W565-H569 AromaticContact CD1-CE1 3.92Å; W565-H569 AromaticContact CD1-ND1 3.87Å; W565-H569 AromaticContact CD2-ND1 3.76Å; W565-H569 AromaticContact CE2-CE1 3.86Å; W565-H569 AromaticContact CE2-CG 3.95Å; W565-H569 AromaticContact CE2-ND1 3.53Å; W565-H569 HydrophobicContact CE3-CB 4.42Å; W565-H569 AromaticContact CG-ND1 3.96Å; W565-H569 HydrophobicContact CH2-CB 4.14Å; W565-H569 HydrophobicContact CZ2-CB 4.33Å; W565-H569 AromaticContact CZ2-CG 3.93Å; W565-H569 AromaticContact CZ2-ND1 3.98Å; W565-H569 HydrophobicContact CZ3-CB 4.19Å; W565-H569 AromaticContact NE1-CE1 3.52Å; W565-H569 AromaticContact NE1-ND1 3.6Å; W565-H569 WeakPolarHBondContact O-CB 3.26Å; W565-H569 PolarHBondContact O-N 3.45Å; W565-H569 PolarHBondContact O-ND1 2.8Å; W565-I572 HydrophobicContact CH2-CD1 4.36Å
566	K	95.6	Very high	94	Very high	17 Å²	17	44.7 Å²	44.7	7%	0.074	23%	0.225	C	C	.	.	H	α-helix	trans	-62.3	-37.3	178.8	-78.4	-179.4	170.9	70.2	0	113.1	D562 L563 S564 H569 A570 T573 D577 L578 K581	D562-K566 WeakPolarHBondContact O-CB 3.49Å; D562-K566 WeakPolarHBondContact O-CG 3.18Å; D562-K566 PolarHBondContact O-N 3Å; D562-K566 IonicContact OD1-NZ 3.41Å; D562-K566 PolarHBondContact OD1-NZ 3.49Å; D562-K566 IonicContact OD2-NZ 2.62Å; D562-K566 PolarHBondContact OD2-NZ 3.11Å; L563-K566 PolarHBondContact O-N 3.27Å; S564-K566 PolarHBondContact O-N 3.26Å; K566-H569 CarbonylContact O-C 3.58Å; K566-H569 VanDerWaalsContact O-C 3.27Å; K566-H569 PolarHBondContact O-N 3.42Å; K566-A570 WeakPolarHBondContact O-CA 3.44Å; K566-A570 PolarHBondContact O-N 2.79Å; K566-T573 HydrophobicContact CB-CG2 3.99Å; K566-T573 HydrophobicContact CD-CG2 4.08Å; K566-T573 HydrophobicContact CG-CG2 3.8Å; K566-T573 PolarHBondContact O-OG1 2.72Å; K566-D577 WeakPolarHBondContact CE-OD2 2.87Å; K566-D577 IonicContact NZ-OD2 2.88Å; K566-L578 HydrophobicContact CB-CD1 4.37Å; K566-K581 HydrophobicContact CD-CB 3.99Å; K566-K581 HydrophobicContact CD-CG 4.12Å
567	I	95.2	Very high	94	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-68.1	-43	178	-71.6	163.4	0	0	0	111.1	I495 A519 L523 L563 S564 W565 H569 A570 L578	I495-I567 HydrophobicContact CD1-CG2 3.49Å; I495-I567 VanDerWaalsContact CD1-CG2 3.49Å; A519-I567 HydrophobicContact CB-CD1 3.71Å; A519-I567 HydrophobicContact CB-CG1 3.77Å; A519-I567 WeakPolarHBondContact O-CD1 3.5Å; L523-I567 HydrophobicContact CB-CD1 3.98Å; L523-I567 HydrophobicContact CD2-CD1 3.83Å; L523-I567 HydrophobicContact CG-CD1 4.5Å; L563-I567 HydrophobicContact CD1-CD1 3.93Å; L563-I567 HydrophobicContact CD1-CG1 4.21Å; L563-I567 HydrophobicContact CG-CD1 3.82Å; L563-I567 WeakPolarHBondContact O-CG1 3.25Å; L563-I567 PolarHBondContact O-N 2.92Å; S564-I567 PolarHBondContact O-N 3.01Å; W565-I567 VanDerWaalsContact C-N 3.34Å; W565-I567 PolarHBondContact O-N 3.43Å; I567-H569 VanDerWaalsContact C-N 3.29Å; I567-H569 PolarHBondContact O-N 3.46Å; I567-A570 WeakPolarHBondContact O-CB 3.39Å; I567-A570 PolarHBondContact O-N 3.28Å; I567-L578 HydrophobicContact CG1-CD1 4.42Å
568	E	91.2	Very high	94	Very high	55 Å²	55	48 Å²	48	26%	0.257	24%	0.243	S	C	.	.	H	α-helix	trans	-63.8	-39.7	176.1	-169.7	61.6	-158.6	0	0	110.8	Q491 S564 W565 A570	Q491-E568 PolarHBondContact NE2-OE2 3.33Å; S564-E568 PolarHBondContact O-N 3.33Å; S564-E568 VanDerWaalsContact O-N 3.16Å; W565-E568 PolarHBondContact O-N 2.89Å; E568-A570 PolarHBondContact O-N 3.28Å
569	H	92.7	Very high	94.2	Very high	67 Å²	67	50.2 Å²	50.2	31%	0.31	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	32.1	-179.5	-60.3	85.6	0	0	0	113.4	W565 K566 I567 E571 I572 T573	W565-H569 AromaticContact CD1-CE1 3.92Å; W565-H569 AromaticContact CD1-ND1 3.87Å; W565-H569 AromaticContact CD2-ND1 3.76Å; W565-H569 AromaticContact CE2-CE1 3.86Å; W565-H569 AromaticContact CE2-CG 3.95Å; W565-H569 AromaticContact CE2-ND1 3.53Å; W565-H569 HydrophobicContact CE3-CB 4.42Å; W565-H569 AromaticContact CG-ND1 3.96Å; W565-H569 HydrophobicContact CH2-CB 4.14Å; W565-H569 HydrophobicContact CZ2-CB 4.33Å; W565-H569 AromaticContact CZ2-CG 3.93Å; W565-H569 AromaticContact CZ2-ND1 3.98Å; W565-H569 HydrophobicContact CZ3-CB 4.19Å; W565-H569 AromaticContact NE1-CE1 3.52Å; W565-H569 AromaticContact NE1-ND1 3.6Å; W565-H569 WeakPolarHBondContact O-CB 3.26Å; W565-H569 PolarHBondContact O-N 3.45Å; W565-H569 PolarHBondContact O-ND1 2.8Å; K566-H569 CarbonylContact O-C 3.58Å; K566-H569 VanDerWaalsContact O-C 3.27Å; K566-H569 PolarHBondContact O-N 3.42Å; I567-H569 VanDerWaalsContact C-N 3.29Å; I567-H569 PolarHBondContact O-N 3.46Å; H569-E571 PolarHBondContact O-N 3.21Å; H569-I572 HydrophobicContact CB-CD1 4.09Å; H569-I572 HydrophobicContact CB-CG1 3.86Å; H569-I572 VanDerWaalsContact O-CG1 3.27Å; H569-I572 WeakPolarHBondContact O-CG1 3.29Å; H569-I572 PolarHBondContact O-N 3.12Å; H569-I572 VanDerWaalsContact O-N 3.08Å; H569-T573 WeakPolarHBondContact O-CB 3.49Å; H569-T573 PolarHBondContact O-N 3.19Å; H569-T573 PolarHBondContact O-OG1 2.87Å
570	A	92.8	Very high	94.2	Very high	11 Å²	11	52.5 Å²	52.5	9%	0.091	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-21.3	-175.4	0	0	0	0	0	114.3	L516 K566 I567 E568 I572 L578	L516-A570 HydrophobicContact CD2-CB 3.64Å; K566-A570 WeakPolarHBondContact O-CA 3.44Å; K566-A570 PolarHBondContact O-N 2.79Å; I567-A570 WeakPolarHBondContact O-CB 3.39Å; I567-A570 PolarHBondContact O-N 3.28Å; E568-A570 PolarHBondContact O-N 3.28Å; A570-I572 VanDerWaalsContact C-N 3.32Å; A570-L578 HydrophobicContact CB-CD1 4.48Å
571	E	89.8	Confident	94.3	Very high	159 Å²	159	53.3 Å²	53.3	74%	0.743	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-24.7	178.4	-62	-173.8	170.1	0	0	113.5	H569	H569-E571 PolarHBondContact O-N 3.21Å
572	I	92.5	Very high	94.4	Very high	131 Å²	131	53.7 Å²	53.7	67%	0.672	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.7	-8	179.3	62	167.4	0	0	0	112.8	W565 H569 A570	W565-I572 HydrophobicContact CH2-CD1 4.36Å; H569-I572 HydrophobicContact CB-CD1 4.09Å; H569-I572 HydrophobicContact CB-CG1 3.86Å; H569-I572 VanDerWaalsContact O-CG1 3.27Å; H569-I572 WeakPolarHBondContact O-CG1 3.29Å; H569-I572 PolarHBondContact O-N 3.12Å; H569-I572 VanDerWaalsContact O-N 3.08Å; A570-I572 VanDerWaalsContact C-N 3.32Å
573	T	92.4	Very high	94.5	Very high	17 Å²	17	56.5 Å²	56.5	10%	0.104	28%	0.284	C	S	.	.	S	Bend	trans	-89.4	130	178.2	-56.4	0	0	0	0	109.5	K566 H569 L578	K566-T573 HydrophobicContact CB-CG2 3.99Å; K566-T573 HydrophobicContact CD-CG2 4.08Å; K566-T573 HydrophobicContact CG-CG2 3.8Å; K566-T573 PolarHBondContact O-OG1 2.72Å; H569-T573 WeakPolarHBondContact O-CB 3.49Å; H569-T573 PolarHBondContact O-N 3.19Å; H569-T573 PolarHBondContact O-OG1 2.87Å; T573-L578 HydrophobicContact CG2-CB 4.08Å
574	D	93.8	Very high	94.6	Very high	106 Å²	106	58.9 Å²	58.9	57%	0.567	30%	0.296	S	S	*	.			trans	-63.8	139.2	174.7	179.5	-111.4	0	0	0	111	A576 D577 L578	D574-A576 VanDerWaalsContact C-N 3.29Å; D574-A576 PolarHBondContact O-N 3.04Å; D574-A576 VanDerWaalsContact OD1-CB 3.24Å; D574-A576 WeakPolarHBondContact OD1-CB 3.25Å; D574-A576 PolarHBondContact OD1-N 3.4Å; D574-D577 HydrophobicContact CB-CB 4.22Å; D574-D577 PolarHBondContact O-N 2.87Å; D574-D577 PolarHBondContact OD1-N 3.23Å; D574-L578 PolarHBondContact O-N 2.81Å
575	R	93.9	Very high	94.6	Very high	103 Å²	103	58.8 Å²	58.8	39%	0.389	30%	0.295	S	S	.	.	H	α-helix	trans	-58.6	-41.6	-178.6	173.7	179.9	170	170.7	4.3	111.8	Y515 D577 L578 Q579	Y515-R575 HydrophobicContact CD2-CG 4.3Å; Y515-R575 HydrophobicContact CE1-CG 4.27Å; Y515-R575 HydrophobicContact CE2-CB 4.49Å; Y515-R575 HydrophobicContact CE2-CG 4.04Å; R575-D577 VanDerWaalsContact C-N 3.33Å; R575-L578 PolarHBondContact O-N 2.82Å; R575-Q579 HydrophobicContact CG-CG 4.37Å; R575-Q579 WeakPolarHBondContact O-CG 3.48Å; R575-Q579 PolarHBondContact O-N 3.12Å
576	A	95	Very high	94.8	Very high	60 Å²	60	56.4 Å²	56.4	50%	0.496	29%	0.288	S	S	.	.	H	α-helix	trans	-69	-36.8	-177.4	0	0	0	0	0	111.1	D574 N580	D574-A576 VanDerWaalsContact C-N 3.29Å; D574-A576 PolarHBondContact O-N 3.04Å; D574-A576 VanDerWaalsContact OD1-CB 3.24Å; D574-A576 WeakPolarHBondContact OD1-CB 3.25Å; D574-A576 PolarHBondContact OD1-N 3.4Å; A576-N580 VanDerWaalsContact O-CB 3.22Å; A576-N580 WeakPolarHBondContact O-CB 3.38Å; A576-N580 PolarHBondContact O-N 2.94Å
577	D	95.7	Very high	94.8	Very high	72 Å²	72	62.6 Å²	62.6	39%	0.385	32%	0.315	S	S	.	.	H	α-helix	trans	-63.8	-44.6	174.1	-172.6	40.4	0	0	0	111.8	K566 D574 R575 N580 K581	K566-D577 WeakPolarHBondContact CE-OD2 2.87Å; K566-D577 IonicContact NZ-OD2 2.88Å; D574-D577 HydrophobicContact CB-CB 4.22Å; D574-D577 PolarHBondContact O-N 2.87Å; D574-D577 PolarHBondContact OD1-N 3.23Å; R575-D577 VanDerWaalsContact C-N 3.33Å; D577-N580 PolarHBondContact O-N 3.27Å; D577-K581 WeakPolarHBondContact O-CB 3.47Å; D577-K581 PolarHBondContact O-N 3.42Å
578	L	96	Very high	94.8	Very high	1 Å²	1	65.1 Å²	65.1	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-61.8	-47.3	176.5	-168.5	150.7	0	0	0	111.7	Y515 L516 A519 K566 I567 A570 T573 D574 R575 K581 M582	Y515-L578 HydrophobicContact CD2-CD2 3.91Å; Y515-L578 HydrophobicContact CE2-CD1 4.44Å; Y515-L578 HydrophobicContact CE2-CD2 4.03Å; L516-L578 HydrophobicContact CD2-CD1 4.08Å; A519-L578 HydrophobicContact CB-CD2 3.62Å; K566-L578 HydrophobicContact CB-CD1 4.37Å; I567-L578 HydrophobicContact CG1-CD1 4.42Å; A570-L578 HydrophobicContact CB-CD1 4.48Å; T573-L578 HydrophobicContact CG2-CB 4.08Å; D574-L578 PolarHBondContact O-N 2.81Å; R575-L578 PolarHBondContact O-N 2.82Å; L578-K581 PolarHBondContact O-N 2.99Å; L578-M582 HydrophobicContact CD2-CG 4.12Å; L578-M582 HydrophobicContact CD2-SD 3.49Å; L578-M582 WeakPolarHBondContact CD2-SD 3.29Å; L578-M582 WeakPolarHBondContact O-CG 3.16Å; L578-M582 PolarHBondContact O-N 3.3Å
579	Q	95.8	Very high	95.1	Very high	69 Å²	69	62.5 Å²	62.5	32%	0.322	31%	0.314	S	S	.	.	H	α-helix	trans	-63.9	-43.1	178.5	-70.5	-176.4	-62	0	0	112	Y515 R575 K581 M582 D583	Y515-Q579 HydrophobicContact CD2-CG 4.37Å; R575-Q579 HydrophobicContact CG-CG 4.37Å; R575-Q579 WeakPolarHBondContact O-CG 3.48Å; R575-Q579 PolarHBondContact O-N 3.12Å; Q579-K581 VanDerWaalsContact C-N 3.27Å; Q579-K581 PolarHBondContact O-N 3.45Å; Q579-M582 WeakPolarHBondContact O-CB 3.38Å; Q579-M582 PolarHBondContact O-N 3.19Å; Q579-D583 PolarHBondContact O-N 2.8Å
580	N	96.5	Very high	95.1	Very high	87 Å²	87	61.7 Å²	61.7	47%	0.465	31%	0.312	S	S	.	.	H	α-helix	trans	-59.6	-39.8	174.7	177.4	67.8	0	0	0	111.4	A576 D577 D583 I584	A576-N580 VanDerWaalsContact O-CB 3.22Å; A576-N580 WeakPolarHBondContact O-CB 3.38Å; A576-N580 PolarHBondContact O-N 2.94Å; D577-N580 PolarHBondContact O-N 3.27Å; N580-D583 PolarHBondContact O-N 3.49Å; N580-I584 VanDerWaalsContact O-CG1 3.27Å; N580-I584 WeakPolarHBondContact O-CG1 3.15Å; N580-I584 PolarHBondContact O-N 3.12Å
581	K	97.2	Very high	95.2	Very high	18 Å²	18	63.4 Å²	63.4	8%	0.078	32%	0.321	C	S	.	.	H	α-helix	trans	-66.3	-39.1	176.7	-168.1	67.4	176.9	-161.8	0	112.8	E559 D562 L563 K566 D577 L578 Q579 I584 C585	E559-K581 WeakPolarHBondContact O-CE 3.44Å; E559-K581 IonicContact OE1-NZ 2.76Å; E559-K581 PolarHBondContact OE1-NZ 3.37Å; E559-K581 WeakPolarHBondContact OE2-CD 3.37Å; E559-K581 WeakPolarHBondContact OE2-CE 3.47Å; E559-K581 IonicContact OE2-NZ 2.83Å; E559-K581 PolarHBondContact OE2-NZ 3.31Å; D562-K581 VanDerWaalsContact OD2-CD 3.3Å; D562-K581 WeakPolarHBondContact OD2-CD 3.41Å; D562-K581 WeakPolarHBondContact OD2-CE 3.22Å; D562-K581 IonicContact OD2-NZ 3.1Å; D562-K581 PolarHBondContact OD2-NZ 3.12Å; L563-K581 HydrophobicContact CB-CG 3.95Å; L563-K581 HydrophobicContact CD1-CB 4.31Å; L563-K581 HydrophobicContact CD1-CG 4.18Å; K566-K581 HydrophobicContact CD-CB 3.99Å; K566-K581 HydrophobicContact CD-CG 4.12Å; D577-K581 WeakPolarHBondContact O-CB 3.47Å; D577-K581 PolarHBondContact O-N 3.42Å; L578-K581 PolarHBondContact O-N 2.99Å; Q579-K581 VanDerWaalsContact C-N 3.27Å; Q579-K581 PolarHBondContact O-N 3.45Å; K581-I584 PolarHBondContact O-N 3.38Å; K581-C585 PolarHBondContact O-N 3.47Å; K581-C585 PolarHBondContact O-SG 3.32Å
582	M	97.1	Very high	95.3	Very high	9 Å²	9	55.8 Å²	55.8	4%	0.044	29%	0.286	C	S	.	.	H	α-helix	trans	-58	-48.4	173	-65.6	164	55.7	0	0	111.2	L518 A519 T522 L563 L578 Q579 I584 C585 E586	L518-M582 HydrophobicContact CB-CE 3.87Å; L518-M582 HydrophobicContact CD2-CE 3.77Å; L518-M582 HydrophobicContact CG-CE 3.48Å; L518-M582 VanDerWaalsContact CG-CE 3.48Å; A519-M582 VanDerWaalsContact CA-SD 3.54Å; A519-M582 HydrophobicContact CB-CE 4.07Å; A519-M582 HydrophobicContact CB-CG 3.89Å; A519-M582 HydrophobicContact CB-SD 3.4Å; A519-M582 WeakPolarHBondContact CB-SD 3.36Å; T522-M582 HydrophobicContact CG2-CB 4.3Å; L563-M582 HydrophobicContact CD1-CG 3.73Å; L563-M582 HydrophobicContact CD2-CG 4.39Å; L578-M582 HydrophobicContact CD2-CG 4.12Å; L578-M582 HydrophobicContact CD2-SD 3.49Å; L578-M582 WeakPolarHBondContact CD2-SD 3.29Å; L578-M582 WeakPolarHBondContact O-CG 3.16Å; L578-M582 PolarHBondContact O-N 3.3Å; Q579-M582 WeakPolarHBondContact O-CB 3.38Å; Q579-M582 PolarHBondContact O-N 3.19Å; M582-I584 VanDerWaalsContact C-N 3.31Å; M582-I584 PolarHBondContact O-N 2.92Å; M582-C585 PolarHBondContact O-N 3.49Å; M582-E586 PolarHBondContact O-N 2.91Å
583	D	96.6	Very high	95.3	Very high	111 Å²	111	49.6 Å²	49.6	59%	0.594	25%	0.254	S	S	*	.	H	α-helix	trans	-61.7	-39.3	179.9	-68.8	-21.6	0	0	0	111.8	Q579 N580 K587	Q579-D583 PolarHBondContact O-N 2.8Å; N580-D583 PolarHBondContact O-N 3.49Å; D583-K587 VanDerWaalsContact O-CB 3.22Å; D583-K587 WeakPolarHBondContact O-CB 3.11Å; D583-K587 PolarHBondContact O-N 2.84Å
584	I	97.4	Very high	95.2	Very high	49 Å²	49	56.2 Å²	56.2	25%	0.251	28%	0.284	S	S	.	.	H	α-helix	trans	-64.5	-48.6	176	-68.1	165.3	0	0	0	110.8	E559 N580 K581 M582 E586 K587 H588	E559-I584 HydrophobicContact CG-CG2 3.94Å; E559-I584 WeakPolarHBondContact OE2-CG2 3.48Å; N580-I584 VanDerWaalsContact O-CG1 3.27Å; N580-I584 WeakPolarHBondContact O-CG1 3.15Å; N580-I584 PolarHBondContact O-N 3.12Å; K581-I584 PolarHBondContact O-N 3.38Å; M582-I584 VanDerWaalsContact C-N 3.31Å; M582-I584 PolarHBondContact O-N 2.92Å; I584-E586 PolarHBondContact O-N 3.38Å; I584-K587 PolarHBondContact O-N 3.35Å; I584-H588 VanDerWaalsContact CG2-CD2 3.48Å; I584-H588 WeakPolarHBondContact CG2-CD2 3.32Å; I584-H588 PolarHBondContact O-CD2 2.88Å; I584-H588 PolarHBondContact O-N 3.36Å
585	C	97.4	Very high	95	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-57.3	-49.9	178	-69	0	0	0	0	111.2	T522 L556 E559 L563 K581 M582 K587 H588 R589	T522-C585 HydrophobicContact CG2-CB 4.42Å; L556-C585 WeakPolarHBondContact CD1-O 3.49Å; E559-C585 PolarHBondContact O-SG 3.21Å; E559-C585 VanDerWaalsContact O-SG 3.33Å; L563-C585 HydrophobicContact CD2-CB 4.09Å; K581-C585 PolarHBondContact O-N 3.47Å; K581-C585 PolarHBondContact O-SG 3.32Å; M582-C585 PolarHBondContact O-N 3.49Å; C585-K587 VanDerWaalsContact C-N 3.33Å; C585-K587 PolarHBondContact O-N 3.2Å; C585-H588 PolarHBondContact O-N 3.06Å; C585-R589 WeakPolarHBondContact O-CB 3.35Å; C585-R589 PolarHBondContact O-N 2.8Å
586	E	95.8	Very high	94.9	Very high	43 Å²	43	51 Å²	51	20%	0.201	26%	0.26	C	S	.	.	H	α-helix	trans	-63.6	-40.7	-179.2	-176.7	59.3	-170	0	0	111.4	T522 M582 I584 H588 R589 L590	T522-E586 HydrophobicContact CG2-CB 4.17Å; M582-E586 PolarHBondContact O-N 2.91Å; I584-E586 PolarHBondContact O-N 3.38Å; E586-H588 PolarHBondContact O-N 2.75Å; E586-R589 WeakPolarHBondContact O-CB 3.17Å; E586-R589 PolarHBondContact O-N 3.26Å; E586-R589 IonicContact OE1-CZ 3.07Å; E586-R589 IonicContact OE1-NE 3.21Å; E586-R589 PolarHBondContact OE1-NE 2.9Å; E586-R589 IonicContact OE1-NH2 3.15Å; E586-R589 PolarHBondContact OE1-NH2 3.33Å; E586-R589 IonicContact OE2-CZ 3.66Å; E586-R589 IonicContact OE2-NE 2.79Å; E586-R589 PolarHBondContact OE2-NE 3.13Å; E586-R589 IonicContact OE2-NH2 2.66Å; E586-L590 HydrophobicContact CG-CD1 4Å; E586-L590 HydrophobicContact CG-CG 4.27Å; E586-L590 WeakPolarHBondContact O-CB 3.47Å; E586-L590 VanDerWaalsContact O-CG 3.25Å; E586-L590 WeakPolarHBondContact O-CG 3.15Å; E586-L590 PolarHBondContact O-N 2.98Å
587	K	95.8	Very high	94.4	Very high	147 Å²	147	49.4 Å²	49.4	64%	0.639	24%	0.243	S	C	*	.	H	α-helix	trans	-60.3	-44.2	175.2	-176.6	179.5	179.4	-178	0	112.3	D583 I584 C585 T591	D583-K587 VanDerWaalsContact O-CB 3.22Å; D583-K587 WeakPolarHBondContact O-CB 3.11Å; D583-K587 PolarHBondContact O-N 2.84Å; I584-K587 PolarHBondContact O-N 3.35Å; C585-K587 VanDerWaalsContact C-N 3.33Å; C585-K587 PolarHBondContact O-N 3.2Å; K587-T591 WeakPolarHBondContact O-CB 3.17Å; K587-T591 PolarHBondContact O-N 3.06Å; K587-T591 PolarHBondContact O-OG1 3.18Å
588	H	95.9	Very high	93.2	Very high	53 Å²	53	48.4 Å²	48.4	25%	0.245	24%	0.24	C	C	.	.	H	α-helix	trans	-66.2	-41.4	176.8	-75.7	-61.8	0	0	0	111.9	L556 I584 C585 E586 T591 L592	L556-H588 HydrophobicContact CB-CB 4.34Å; L556-H588 HydrophobicContact CD1-CB 3.93Å; I584-H588 VanDerWaalsContact CG2-CD2 3.48Å; I584-H588 WeakPolarHBondContact CG2-CD2 3.32Å; I584-H588 PolarHBondContact O-CD2 2.88Å; I584-H588 PolarHBondContact O-N 3.36Å; C585-H588 PolarHBondContact O-N 3.06Å; E586-H588 PolarHBondContact O-N 2.75Å; H588-T591 PolarHBondContact O-N 3.17Å; H588-L592 WeakPolarHBondContact O-CB 3.33Å; H588-L592 PolarHBondContact O-N 3.35Å
589	R	96.3	Very high	91.3	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-58	-51	174.3	-169.7	-170.8	77.7	86.3	0	111.5	H38 E40 T529 L556 C585 E586 T591 L592 L593	H38-R589 PolarHBondContact NE2-NH2 3.45Å; E40-R589 IonicContact OE1-NH1 3.44Å; E40-R589 IonicContact OE2-CZ 2.78Å; E40-R589 IonicContact OE2-NH1 3.78Å; E40-R589 PolarHBondContact OE2-NH1 3.34Å; E40-R589 IonicContact OE2-NH2 2.73Å; E40-R589 PolarHBondContact OE2-NH2 3.34Å; T529-R589 HydrophobicContact CG2-CG 4.01Å; T529-R589 WeakPolarHBondContact OG1-CD 3.22Å; T529-R589 WeakPolarHBondContact OG1-CG 3.45Å; L556-R589 HydrophobicContact CD1-CB 4.23Å; L556-R589 HydrophobicContact CD2-CB 4.22Å; L556-R589 HydrophobicContact CD2-CG 4.45Å; C585-R589 WeakPolarHBondContact O-CB 3.35Å; C585-R589 PolarHBondContact O-N 2.8Å; E586-R589 WeakPolarHBondContact O-CB 3.17Å; E586-R589 PolarHBondContact O-N 3.26Å; E586-R589 IonicContact OE1-CZ 3.07Å; E586-R589 IonicContact OE1-NE 3.21Å; E586-R589 PolarHBondContact OE1-NE 2.9Å; E586-R589 IonicContact OE1-NH2 3.15Å; E586-R589 PolarHBondContact OE1-NH2 3.33Å; E586-R589 IonicContact OE2-CZ 3.66Å; E586-R589 IonicContact OE2-NE 2.79Å; E586-R589 PolarHBondContact OE2-NE 3.13Å; E586-R589 IonicContact OE2-NH2 2.66Å; R589-T591 VanDerWaalsContact C-N 3.34Å; R589-T591 PolarHBondContact O-N 2.83Å; R589-L592 PolarHBondContact O-N 2.88Å; R589-L593 HydrophobicContact CG-CD1 4.33Å; R589-L593 WeakPolarHBondContact O-CG 3.19Å; R589-L593 PolarHBondContact O-N 2.86Å
590	L	93.9	Very high	91.1	Very high	49 Å²	49	55.6 Å²	55.6	26%	0.257	28%	0.279	S	S	.	.	H	α-helix	trans	-64.2	-37.8	179.3	-69	177.6	0	0	0	112.4	H38 P39 E586 L593 Q594	H38-L590 VanDerWaalsContact NE2-CD2 3.33Å; H38-L590 WeakPolarHBondContact NE2-CD2 3.42Å; P39-L590 HydrophobicContact CG-CD2 4.1Å; E586-L590 HydrophobicContact CG-CD1 4Å; E586-L590 HydrophobicContact CG-CG 4.27Å; E586-L590 WeakPolarHBondContact O-CB 3.47Å; E586-L590 VanDerWaalsContact O-CG 3.25Å; E586-L590 WeakPolarHBondContact O-CG 3.15Å; E586-L590 PolarHBondContact O-N 2.98Å; L590-L593 PolarHBondContact O-N 3.36Å; L590-Q594 VanDerWaalsContact O-CB 3.29Å; L590-Q594 WeakPolarHBondContact O-CB 3.14Å; L590-Q594 PolarHBondContact O-N 2.96Å
591	T	93.4	Very high	90.8	Very high	47 Å²	47	53.9 Å²	53.9	29%	0.288	27%	0.27	S	S	.	.	H	α-helix	trans	-62.2	-46.8	175.3	-57.7	0	0	0	0	110.7	K587 H588 R589 L593 Q594 E595	K587-T591 WeakPolarHBondContact O-CB 3.17Å; K587-T591 PolarHBondContact O-N 3.06Å; K587-T591 PolarHBondContact O-OG1 3.18Å; H588-T591 PolarHBondContact O-N 3.17Å; R589-T591 VanDerWaalsContact C-N 3.34Å; R589-T591 PolarHBondContact O-N 2.83Å; T591-L593 VanDerWaalsContact C-N 3.33Å; T591-L593 PolarHBondContact O-N 3.48Å; T591-Q594 PolarHBondContact O-N 2.81Å; T591-E595 HydrophobicContact CG2-CG 4.42Å; T591-E595 WeakPolarHBondContact O-CB 3.39Å; T591-E595 VanDerWaalsContact O-CG 3.26Å; T591-E595 WeakPolarHBondContact O-CG 3.32Å; T591-E595 PolarHBondContact O-N 2.99Å
592	L	93.1	Very high	90.5	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60.5	-44.3	177.9	-171	157.1	0	0	0	111	P373 T529 T533 F549 Q552 L556 H588 R589 E595 F596	P373-L592 HydrophobicContact CB-CD2 4.14Å; P373-L592 HydrophobicContact CG-CD2 3.73Å; T529-L592 HydrophobicContact CG2-CD2 4.28Å; T533-L592 HydrophobicContact CG2-CD1 3.92Å; T533-L592 HydrophobicContact CG2-CD2 3.98Å; F549-L592 HydrophobicContact CE2-CD2 4.49Å; Q552-L592 HydrophobicContact CB-CD1 4.4Å; L556-L592 HydrophobicContact CD2-CD1 4.35Å; H588-L592 WeakPolarHBondContact O-CB 3.33Å; H588-L592 PolarHBondContact O-N 3.35Å; R589-L592 PolarHBondContact O-N 2.88Å; L592-E595 PolarHBondContact O-N 3.11Å; L592-F596 HydrophobicContact CG-CD2 4.46Å; L592-F596 WeakPolarHBondContact O-CB 3.46Å; L592-F596 WeakPolarHBondContact O-CD2 3.44Å; L592-F596 PolarHBondContact O-N 3.43Å
593	L	92.8	Very high	90.1	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-64.6	-44.9	175.8	-69.2	173.5	0	0	0	112.3	P39 E40 A372 P373 T529 R589 L590 T591 E595 F596 L597	P39-L593 HydrophobicContact CB-CB 4.49Å; P39-L593 HydrophobicContact CG-CB 4.16Å; E40-L593 VanDerWaalsContact CD-CD1 3.44Å; E40-L593 HydrophobicContact CG-CD1 3.77Å; E40-L593 WeakPolarHBondContact OE1-CD1 3.4Å; A372-L593 HydrophobicContact CB-CD2 3.56Å; P373-L593 HydrophobicContact CB-CD2 4.49Å; T529-L593 HydrophobicContact CG2-CD2 4.01Å; T529-L593 HydrophobicContact CG2-CG 4.22Å; R589-L593 HydrophobicContact CG-CD1 4.33Å; R589-L593 WeakPolarHBondContact O-CG 3.19Å; R589-L593 PolarHBondContact O-N 2.86Å; L590-L593 PolarHBondContact O-N 3.36Å; T591-L593 VanDerWaalsContact C-N 3.33Å; T591-L593 PolarHBondContact O-N 3.48Å; L593-E595 VanDerWaalsContact C-N 3.25Å; L593-E595 PolarHBondContact O-N 2.77Å; L593-F596 PolarHBondContact O-N 2.79Å; L593-L597 WeakPolarHBondContact O-CA 3.31Å; L593-L597 WeakPolarHBondContact O-CB 3.41Å; L593-L597 PolarHBondContact O-N 2.99Å
594	Q	90.3	Very high	89.7	Confident	156 Å²	156	55.4 Å²	55.4	73%	0.729	28%	0.275	S	S	*	.	H	α-helix	trans	-61.9	-35.3	-179.9	-176.3	171.5	6.2	0	0	112.5	L590 T591	L590-Q594 VanDerWaalsContact O-CB 3.29Å; L590-Q594 WeakPolarHBondContact O-CB 3.14Å; L590-Q594 PolarHBondContact O-N 2.96Å; T591-Q594 PolarHBondContact O-N 2.81Å
595	E	89.3	Confident	89.2	Confident	81 Å²	81	55.8 Å²	55.8	38%	0.379	28%	0.277	S	S	.	.	H	α-helix	trans	-85.5	-30.9	-176.4	-67.8	-72.5	-174.3	0	0	113.6	R545 T591 L592 L593	R545-E595 IonicContact CZ-OE2 2.66Å; R545-E595 IonicContact NH1-OE2 2.7Å; R545-E595 PolarHBondContact NH1-OE2 3.28Å; R545-E595 VanDerWaalsContact NH2-CD 3.33Å; R545-E595 IonicContact NH2-OE1 3.89Å; R545-E595 IonicContact NH2-OE2 3.85Å; R545-E595 PolarHBondContact NH2-OE2 2.93Å; T591-E595 HydrophobicContact CG2-CG 4.42Å; T591-E595 WeakPolarHBondContact O-CB 3.39Å; T591-E595 VanDerWaalsContact O-CG 3.26Å; T591-E595 WeakPolarHBondContact O-CG 3.32Å; T591-E595 PolarHBondContact O-N 2.99Å; L592-E595 PolarHBondContact O-N 3.11Å; L593-E595 VanDerWaalsContact C-N 3.25Å; L593-E595 PolarHBondContact O-N 2.77Å
596	F	90.8	Very high	88.6	Confident	18 Å²	18	59.8 Å²	59.8	8%	0.079	30%	0.297	C	S	.	.	H	α-helix	trans	-127.4	-2.8	-167.6	-61.4	-76.1	0	0	0	115.4	P373 R545 L548 F549 Q552 L592 L593 T598	P373-F596 HydrophobicContact CB-CB 4.27Å; R545-F596 HydrophobicContact CB-CE1 3.98Å; R545-F596 HydrophobicContact CB-CZ 4.32Å; L548-F596 HydrophobicContact CB-CZ 4.32Å; L548-F596 HydrophobicContact CD2-CZ 4.27Å; L548-F596 HydrophobicContact CG-CZ 4.15Å; F549-F596 HydrophobicContact CB-CD1 4.3Å; F549-F596 HydrophobicContact CB-CE1 3.73Å; F549-F596 HydrophobicContact CB-CE2 4.04Å; F549-F596 HydrophobicContact CB-CZ 3.59Å; F549-F596 HydrophobicContact CD2-CB 4.16Å; F549-F596 AromaticContact CD2-CD1 3.83Å; F549-F596 HydrophobicContact CD2-CD1 3.83Å; F549-F596 AromaticContact CD2-CD2 3.78Å; F549-F596 HydrophobicContact CD2-CD2 3.78Å; F549-F596 HydrophobicContact CD2-CE1 4.13Å; F549-F596 HydrophobicContact CD2-CE2 4.08Å; F549-F596 AromaticContact CD2-CG 3.65Å; F549-F596 HydrophobicContact CD2-CG 3.65Å; F549-F596 HydrophobicContact CD2-CZ 4.25Å; F549-F596 HydrophobicContact CE2-CB 4.4Å; F549-F596 HydrophobicContact CE2-CG 4.36Å; F549-F596 HydrophobicContact CG-CE1 4.43Å; F549-F596 HydrophobicContact CG-CZ 4.45Å; Q552-F596 VanDerWaalsContact OE1-CE2 3.3Å; L592-F596 HydrophobicContact CG-CD2 4.46Å; L592-F596 WeakPolarHBondContact O-CB 3.46Å; L592-F596 WeakPolarHBondContact O-CD2 3.44Å; L592-F596 PolarHBondContact O-N 3.43Å; L593-F596 PolarHBondContact O-N 2.79Å; F596-T598 PolarHBondContact O-N 3.44Å
597	L	84.9	Confident	88	Confident	27 Å²	27	61.1 Å²	61.1	14%	0.141	30%	0.304	C	S	.	.			trans	-63.6	110.8	172.8	-177.5	61.7	0	0	0	109.4	P39 R351 A372 L593 N599	P39-L597 HydrophobicContact CB-CD2 4.28Å; P39-L597 VanDerWaalsContact O-CD2 3.27Å; P39-L597 WeakPolarHBondContact O-CD2 3.07Å; R351-L597 VanDerWaalsContact CZ-CD2 3.43Å; A372-L597 HydrophobicContact CB-CD1 3.6Å; L593-L597 WeakPolarHBondContact O-CA 3.31Å; L593-L597 WeakPolarHBondContact O-CB 3.41Å; L593-L597 PolarHBondContact O-N 2.99Å; L597-N599 PolarHBondContact O-N 3.49Å
598	T	70.2	Confident	87.4	Confident	51 Å²	51	53.9 Å²	53.9	31%	0.313	28%	0.276	S	S	.	.			trans	-66.6	133.5	175.7	57.1	0	0	0	0	109.8	S375 F596	S375-T598 WeakPolarHBondContact CB-OG1 3.45Å; F596-T598 PolarHBondContact O-N 3.44Å
599	N	57.6	Low	86.6	Confident	165 Å²	165	54 Å²	54	88%	0.882	28%	0.279	S	S	*	.			trans	-74.8	0	173.1	-77.4	-28.8	0	0	0	112.2	R351 L597	R351-N599 PolarHBondContact NH2-OD1 3.35Å; R351-N599 VanDerWaalsContact NH2-OD1 3.16Å; L597-N599 PolarHBondContact O-N 3.49Å

Retrieved 599 of 599 residues in 142.4 ms (Link to these results)

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