A0A077Z2Q1_TRITR Loading...

Protein kinase C

AlphaFold DB , UniProt , Accession A0A077Z2Q1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 618 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	41.2	Very low	48.9	Very low	231 Å²	231	145.6 Å²	145.6	100%	1.138	80%	0.798	S	S	*	*				0	121.3	0	-72.2	160.5	84.6	0	0	106	E3	M1-E3 PolarHBondContact O-N 3.37Å
2	K	41	Very low	51.7	Low	202 Å²	202	137.2 Å²	137.2	88%	0.878	75%	0.748	S	S	*	*			trans	-70.5	112.8	160.2	-83.4	-176.7	174.1	-178.2	0	103.6	D4	K2-D4 PolarHBondContact O-N 3.3Å; K2-D4 VanDerWaalsContact O-N 3.08Å
3	E	38.9	Very low	53.7	Low	184 Å²	184	137.6 Å²	137.6	86%	0.86	74%	0.742	S	S	*	*			trans	-55.7	115.6	172.5	-74.1	172.4	154	0	0	106.8	M1 A5	M1-E3 PolarHBondContact O-N 3.37Å; E3-A5 VanDerWaalsContact C-N 3.33Å; E3-A5 PolarHBondContact O-N 3.33Å
4	D	43.1	Very low	55.5	Low	154 Å²	154	135.5 Å²	135.5	82%	0.824	73%	0.725	S	S	*	*			trans	-58.7	102.7	168.5	-66.4	-50.7	0	0	0	105.9	K2 E6	K2-D4 PolarHBondContact O-N 3.3Å; K2-D4 VanDerWaalsContact O-N 3.08Å; D4-E6 VanDerWaalsContact C-N 3.33Å; D4-E6 PolarHBondContact O-N 2.85Å
5	A	43.2	Very low	56.7	Low	93 Å²	93	133.3 Å²	133.3	77%	0.769	71%	0.706	S	S	*	*			trans	-58.3	105.5	166.5	0	0	0	0	0	106	E3	E3-A5 VanDerWaalsContact C-N 3.33Å; E3-A5 PolarHBondContact O-N 3.33Å
6	E	39.2	Very low	57.4	Low	178 Å²	178	132.6 Å²	132.6	83%	0.832	71%	0.709	S	S	*	*			trans	-48.3	127.2	169.2	-74.3	-174.3	153.6	0	0	107.1	D4 S8	D4-E6 VanDerWaalsContact C-N 3.33Å; D4-E6 PolarHBondContact O-N 2.85Å; E6-S8 PolarHBondContact O-N 3.31Å
7	P	43.7	Very low	57.8	Low	122 Å²	122	125.7 Å²	125.7	79%	0.792	68%	0.677	S	S	*	*			trans	-59.2	116	178.8	23.2	-30.2	0	0	0	106.1	G9	P7-G9 VanDerWaalsContact C-N 3.33Å; P7-G9 PolarHBondContact O-N 3.24Å
8	S	45.2	Very low	58.5	Low	112 Å²	112	120.1 Å²	120.1	78%	0.783	65%	0.65	S	S	*	*			trans	-52.4	104.2	175.3	67.4	0	0	0	0	106.7	E6 R10	E6-S8 PolarHBondContact O-N 3.31Å; S8-R10 PolarHBondContact O-N 3.19Å
9	G	56.6	Low	59	Low	62 Å²	62	113.9 Å²	113.9	64%	0.639	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-58	120	-173.6	0	0	0	0	0	107.6	P7 V11	P7-G9 VanDerWaalsContact C-N 3.33Å; P7-G9 PolarHBondContact O-N 3.24Å; G9-V11 PolarHBondContact O-N 3.31Å
10	R	68.4	Low	59.1	Low	145 Å²	145	114.2 Å²	114.2	55%	0.547	62%	0.616	S	S	.	*	P	Polyproline II helix	trans	-63.8	117.7	176.6	-65.7	-173.7	-172.3	-174	2.6	107.7	S8 D479 L482	S8-R10 PolarHBondContact O-N 3.19Å; R10-D479 IonicContact CZ-OD1 2.72Å; R10-D479 IonicContact CZ-OD2 3.66Å; R10-D479 IonicContact NH1-OD1 3.66Å; R10-D479 IonicContact NH1-OD2 3.4Å; R10-D479 PolarHBondContact NH1-OD2 2.91Å; R10-D479 IonicContact NH2-OD1 3.58Å; R10-D479 PolarHBondContact NH2-OD1 2.78Å; R10-D479 IonicContact NH2-OD2 3.04Å; R10-D479 PolarHBondContact NH2-OD2 3.24Å; R10-L482 HydrophobicContact CB-CD1 3.8Å; R10-L482 HydrophobicContact CB-CD2 4.41Å; R10-L482 WeakPolarHBondContact O-CD1 3.18Å; R10-L482 WeakPolarHBondContact O-CD2 3.44Å
11	V	77.4	Confident	58.9	Low	119 Å²	119	112.2 Å²	112.2	72%	0.721	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-91.4	134.1	174.6	-178	0	0	0	0	107.9	G9 Q13	G9-V11 PolarHBondContact O-N 3.31Å; V11-Q13 PolarHBondContact O-N 3.17Å
12	F	82	Confident	60.1	Low	44 Å²	44	103.6 Å²	103.6	19%	0.193	58%	0.578	C	S	.	*	P	Polyproline II helix	trans	-64.3	126.8	175.3	-179.5	-85.6	0	0	0	109.7	E14 Y455 V459 Q461 L482 P484 W486	F12-E14 HydrophobicContact CE1-CB 3.94Å; F12-Y455 WeakPolarHBondContact CE2-OH 3.34Å; F12-V459 HydrophobicContact CE2-CG1 3.5Å; F12-V459 VanDerWaalsContact CE2-CG1 3.5Å; F12-V459 HydrophobicContact CZ-CG1 3.38Å; F12-Q461 HydrophobicContact CE2-CG 4.45Å; F12-Q461 HydrophobicContact CZ-CG 4.45Å; F12-L482 HydrophobicContact CB-CB 4.24Å; F12-L482 HydrophobicContact CB-CD1 4.22Å; F12-L482 HydrophobicContact CD2-CB 4.19Å; F12-P484 HydrophobicContact CD1-CB 4.37Å; F12-P484 HydrophobicContact CD1-CG 3.89Å; F12-P484 HydrophobicContact CD2-CG 3.76Å; F12-P484 HydrophobicContact CE1-CB 4.38Å; F12-P484 HydrophobicContact CE1-CG 3.71Å; F12-P484 HydrophobicContact CE2-CG 3.53Å; F12-P484 HydrophobicContact CG-CG 3.93Å; F12-P484 HydrophobicContact CZ-CG 3.51Å; F12-W486 HydrophobicContact CD1-CH2 4.1Å; F12-W486 AromaticContact CE1-CH2 3.45Å; F12-W486 HydrophobicContact CE1-CH2 3.45Å; F12-W486 VanDerWaalsContact CE1-CH2 3.45Å; F12-W486 AromaticContact CE1-CZ2 3.96Å; F12-W486 HydrophobicContact CE1-CZ2 3.96Å; F12-W486 HydrophobicContact CE1-CZ3 4.39Å; F12-W486 HydrophobicContact CZ-CH2 4.15Å; F12-W486 HydrophobicContact CZ-CZ2 4.21Å
13	Q	78.6	Confident	61.1	Low	143 Å²	143	102.1 Å²	102.1	67%	0.668	57%	0.574	S	S	*	*			trans	-113.8	119	172.4	-66	-176.8	-2.1	0	0	108.9	V11 K15 Q461	V11-Q13 PolarHBondContact O-N 3.17Å; Q13-K15 PolarHBondContact O-N 3Å; Q13-Q461 PolarHBondContact O-NE2 2.92Å; Q13-Q461 PolarHBondContact O-OE1 3.3Å
14	E	78.4	Confident	62.6	Low	108 Å²	108	97.5 Å²	97.5	51%	0.505	55%	0.549	S	S	.	.			trans	-72.1	115	172.8	-168.6	171.2	-164.1	0	0	108.8	F12 K361 W486	F12-E14 HydrophobicContact CE1-CB 3.94Å; E14-K361 IonicContact OE1-NZ 2.86Å; E14-K361 PolarHBondContact OE1-NZ 2.84Å; E14-W486 HydrophobicContact CB-CH2 4.19Å; E14-W486 HydrophobicContact CG-CH2 4.23Å
15	K	74.3	Confident	63.8	Low	102 Å²	102	95.3 Å²	95.3	44%	0.443	53%	0.529	S	S	.	.			trans	-90.4	113.9	174	-67.8	179	-178.8	176	0	109.7	Q13 G17 A18 E465	Q13-K15 PolarHBondContact O-N 3Å; K15-G17 PolarHBondContact O-N 3.44Å; K15-A18 HydrophobicContact CB-CB 4.19Å; K15-A18 PolarHBondContact O-N 3.26Å; K15-E465 IonicContact NZ-OE2 2.66Å; K15-E465 PolarHBondContact NZ-OE2 3.37Å
16	T	67.2	Low	65	Low	122 Å²	122	93.8 Å²	93.8	75%	0.748	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	107.8	170	52.4	0	0	0	0	109.3
17	G	63.9	Low	66.7	Low	16 Å²	16	86.8 Å²	86.8	17%	0.165	50%	0.495	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.7	34	178.4	0	0	0	0	0	114.8	K15 F19 I20	K15-G17 PolarHBondContact O-N 3.44Å; G17-F19 PolarHBondContact O-N 3.14Å; G17-I20 WeakPolarHBondContact O-CA 3.36Å; G17-I20 WeakPolarHBondContact O-CB 3.48Å; G17-I20 PolarHBondContact O-N 3.41Å
18	A	70.7	Confident	68.4	Low	24 Å²	24	82.3 Å²	82.3	20%	0.198	46%	0.464	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-27.4	171.8	0	0	0	0	0	113.7	K15 G460 Q461	K15-A18 HydrophobicContact CB-CB 4.19Å; K15-A18 PolarHBondContact O-N 3.26Å; A18-G460 WeakPolarHBondContact CB-O 3.21Å; A18-Q461 HydrophobicContact CB-CB 3.6Å
19	F	68.3	Low	70.1	Confident	4 Å²	4	78.9 Å²	78.9	2%	0.018	43%	0.434	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-16.8	172.7	-62.2	-76.5	0	0	0	114.7	G17 G21 R22 M353 I356 Q357 L393 E456 G460	G17-F19 PolarHBondContact O-N 3.14Å; F19-G21 PolarHBondContact O-N 2.98Å; F19-R22 PolarHBondContact O-N 2.88Å; F19-M353 HydrophobicContact CD1-SD 3.88Å; F19-M353 HydrophobicContact CE1-SD 4.25Å; F19-I356 HydrophobicContact CD1-CG2 4.05Å; F19-I356 HydrophobicContact CD2-CG1 4.25Å; F19-I356 HydrophobicContact CD2-CG2 4.13Å; F19-I356 HydrophobicContact CE1-CG2 3.92Å; F19-I356 HydrophobicContact CE2-CD1 3.64Å; F19-I356 HydrophobicContact CE2-CG1 3.74Å; F19-I356 HydrophobicContact CE2-CG2 3.98Å; F19-I356 HydrophobicContact CG-CG2 4.17Å; F19-I356 HydrophobicContact CZ-CD1 3.72Å; F19-I356 HydrophobicContact CZ-CG1 4.18Å; F19-I356 HydrophobicContact CZ-CG2 3.9Å; F19-Q357 HydrophobicContact CB-CB 4.49Å; F19-Q357 HydrophobicContact CB-CG 3.66Å; F19-L393 HydrophobicContact CE1-CD1 3.92Å; F19-L393 HydrophobicContact CZ-CD1 4.16Å; F19-E456 HydrophobicContact CZ-CB 4.3Å; F19-G460 WeakPolarHBondContact CD2-O 3.35Å; F19-G460 WeakPolarHBondContact CE2-O 3.48Å
20	I	60.5	Low	70.9	Confident	118 Å²	118	79 Å²	79	61%	0.605	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	109.1	-179.9	-59.9	177.5	0	0	0	107.8	G17	G17-I20 WeakPolarHBondContact O-CA 3.36Å; G17-I20 WeakPolarHBondContact O-CB 3.48Å; G17-I20 PolarHBondContact O-N 3.41Å
21	G	55.6	Low	71.4	Confident	74 Å²	74	76 Å²	76	76%	0.763	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.5	-1.3	-176.8	0	0	0	0	0	114.8	F19 Q23	F19-G21 PolarHBondContact O-N 2.98Å; G21-Q23 PolarHBondContact O-N 2.81Å
22	R	65.4	Low	71.6	Confident	49 Å²	49	72.1 Å²	72.1	19%	0.185	39%	0.385	C	S	.	.			trans	-63.4	106.6	168.6	-168.2	178.2	-173.5	-166	4.8	107.7	F19 R24 D430 E456	F19-R22 PolarHBondContact O-N 2.88Å; R22-R24 PolarHBondContact O-N 3.27Å; R22-D430 IonicContact CZ-OD1 2.64Å; R22-D430 VanDerWaalsContact NH2-CG 3.28Å; R22-D430 IonicContact NH2-OD1 3.14Å; R22-D430 PolarHBondContact NH2-OD1 2.97Å; R22-D430 IonicContact NH2-OD2 3Å; R22-E456 IonicContact CZ-OE1 2.73Å; R22-E456 IonicContact NH1-OE1 3.65Å; R22-E456 PolarHBondContact NH1-OE1 3.1Å; R22-E456 IonicContact NH1-OE2 3.32Å; R22-E456 IonicContact NH2-OE1 3.49Å; R22-E456 PolarHBondContact NH2-OE1 2.91Å
23	Q	62.5	Low	71.8	Confident	172 Å²	172	71.3 Å²	71.3	80%	0.804	38%	0.382	S	S	*	.			trans	-61.9	132.8	173	-72.7	-179.5	-22.9	0	0	108.7	G21 R25	G21-Q23 PolarHBondContact O-N 2.81Å; Q23-R25 PolarHBondContact O-N 2.83Å
24	R	69.6	Low	72.2	Confident	86 Å²	86	70.2 Å²	70.2	33%	0.325	38%	0.377	S	S	.	.			trans	-55.1	112.9	174	-60.6	-177.4	-173.4	-127.3	4.5	108.4	R22 G26 D351 D394 D577	R22-R24 PolarHBondContact O-N 3.27Å; R24-G26 PolarHBondContact O-N 3.46Å; R24-D351 IonicContact CZ-OD2 2.66Å; R24-D351 IonicContact NH1-OD2 3.48Å; R24-D351 PolarHBondContact NH1-OD2 3.08Å; R24-D351 IonicContact NH2-OD2 2.77Å; R24-D394 WeakPolarHBondContact CD-OD1 2.97Å; R24-D394 WeakPolarHBondContact CG-OD1 3.3Å; R24-D394 IonicContact NH1-OD1 3.76Å; R24-D394 PolarHBondContact NH1-OD1 3.36Å; R24-D577 IonicContact CZ-OD2 3.86Å; R24-D577 IonicContact NE-OD2 2.7Å; R24-D577 IonicContact NH2-OD2 2.74Å; R24-D577 PolarHBondContact NH2-OD2 3.5Å
25	R	69.7	Low	72.6	Confident	109 Å²	109	65.7 Å²	65.7	41%	0.411	36%	0.356	S	S	.	.			trans	-83.4	113.5	177.3	-75.4	-179.8	176.2	170.1	-3.3	109.2	Q23 T428 D430	Q23-R25 PolarHBondContact O-N 2.83Å; R25-T428 HydrophobicContact CB-CG2 4.36Å; R25-D430 VanDerWaalsContact CD-OD2 3.28Å; R25-D430 WeakPolarHBondContact CD-OD2 3.41Å; R25-D430 IonicContact CZ-OD2 2.62Å; R25-D430 IonicContact NH1-OD1 3.49Å; R25-D430 PolarHBondContact NH1-OD1 3.13Å; R25-D430 IonicContact NH1-OD2 2.68Å; R25-D430 PolarHBondContact NH1-OD2 2.71Å
26	G	68.1	Low	73.1	Confident	61 Å²	61	62.7 Å²	62.7	63%	0.629	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-60	148.4	176	0	0	0	0	0	111.7	R24 M28	R24-G26 PolarHBondContact O-N 3.46Å; G26-M28 PolarHBondContact O-N 2.94Å
27	A	75.4	Confident	74.2	Confident	31 Å²	31	57.9 Å²	57.9	26%	0.256	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-63.6	137.6	170.8	0	0	0	0	0	109.5	D390 M411	A27-D390 WeakPolarHBondContact CB-OD1 3.43Å; A27-D390 WeakPolarHBondContact CB-OD2 3.32Å; A27-M411 HydrophobicContact CB-CE 3.55Å; A27-M411 HydrophobicContact CB-CG 4.36Å
28	M	79.6	Confident	75.4	Confident	28 Å²	28	57.1 Å²	57.1	14%	0.138	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	145.8	169.5	59.7	172.9	174.6	0	0	109.9	G26 F425 C426 G427 P429 I432 F473	G26-M28 PolarHBondContact O-N 2.94Å; M28-F425 HydrophobicContact CE-CD1 4.21Å; M28-F425 HydrophobicContact CE-CE1 3.17Å; M28-F425 HydrophobicContact CE-CE2 4.42Å; M28-F425 HydrophobicContact CE-CZ 3.3Å; M28-F425 HydrophobicContact SD-CD1 4.39Å; M28-F425 HydrophobicContact SD-CE1 3.56Å; M28-F425 VanDerWaalsContact SD-CE1 3.56Å; M28-F425 HydrophobicContact SD-CZ 4.27Å; M28-C426 CarbonylContact O-C 3.59Å; M28-C426 WeakPolarHBondContact O-CA 3.21Å; M28-C426 WeakPolarHBondContact O-CB 3.05Å; M28-G427 VanDerWaalsContact CG-O 3.23Å; M28-G427 WeakPolarHBondContact CG-O 3.4Å; M28-G427 PolarHBondContact N-O 2.85Å; M28-G427 PolarHBondContact O-N 3.2Å; M28-P429 HydrophobicContact CE-CG 4Å; M28-P429 HydrophobicContact SD-CG 4.45Å; M28-I432 HydrophobicContact CE-CD1 3.34Å; M28-F473 HydrophobicContact CE-CE2 3.86Å; M28-F473 HydrophobicContact CE-CZ 3.63Å
29	R	79.6	Confident	76.3	Confident	39 Å²	39	59.4 Å²	59.4	15%	0.147	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	124.4	166.3	170.4	179.1	-76.1	168.5	-12.2	108.4	D307 C310 G410 M411 C426	R29-D307 VanDerWaalsContact CD-OD1 3.31Å; R29-D307 WeakPolarHBondContact CD-OD1 3.29Å; R29-D307 VanDerWaalsContact CD-OD2 3.29Å; R29-D307 WeakPolarHBondContact CD-OD2 3.22Å; R29-D307 IonicContact CZ-OD2 3.01Å; R29-D307 IonicContact NE-OD2 3.83Å; R29-D307 IonicContact NH1-OD1 3.35Å; R29-D307 PolarHBondContact NH1-OD1 3.34Å; R29-D307 IonicContact NH1-OD2 2.62Å; R29-D307 PolarHBondContact NH1-OD2 2.98Å; R29-C310 VanDerWaalsContact CZ-SG 3.6Å; R29-C310 PolarHBondContact NH1-SG 2.82Å; R29-C310 VanDerWaalsContact NH1-SG 3.4Å; R29-G410 VanDerWaalsContact CZ-O 3.31Å; R29-G410 PolarHBondContact NH1-O 3.32Å; R29-G410 PolarHBondContact NH2-O 3.13Å; R29-M411 HydrophobicContact CB-CE 3.81Å; R29-M411 HydrophobicContact CB-SD 4.02Å; R29-M411 VanDerWaalsContact CZ-SD 3.6Å; R29-M411 PolarHBondContact NE-SD 3.36Å; R29-M411 VanDerWaalsContact NH2-CA 3.32Å; R29-C426 HydrophobicContact CB-CB 4.18Å; R29-C426 HydrophobicContact CG-CB 4.39Å
30	L	75.1	Confident	77.5	Confident	66 Å²	66	59.2 Å²	59.2	35%	0.346	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	99.7	175.9	-61.1	179.1	0	0	0	107.6	V32 M41 F425	L30-V32 PolarHBondContact O-N 3.05Å; L30-M41 HydrophobicContact CB-CE 3.55Å; L30-M41 HydrophobicContact CD1-CE 3.83Å; L30-M41 HydrophobicContact CD2-CE 3.57Å; L30-M41 HydrophobicContact CG-CE 3.8Å; L30-F425 HydrophobicContact CB-CB 4.44Å; L30-F425 HydrophobicContact CB-CD1 4.03Å; L30-F425 HydrophobicContact CD1-CD1 3.61Å; L30-F425 HydrophobicContact CD1-CE1 3.81Å; L30-F425 HydrophobicContact CG-CD1 4.04Å; L30-F425 PolarHBondContact N-O 2.84Å
31	R	77.1	Confident	78.8	Confident	80 Å²	80	54.6 Å²	54.6	30%	0.302	29%	0.291	S	S	.	.			trans	-70.8	116.7	171	-166.4	173	-171.3	168.1	-1.4	108.5	D306 D309	R31-D306 IonicContact CZ-OD2 2.8Å; R31-D306 IonicContact NE-OD2 3.01Å; R31-D306 PolarHBondContact NH1-O 3.03Å; R31-D306 IonicContact NH1-OD1 3.12Å; R31-D306 PolarHBondContact NH1-OD1 3.01Å; R31-D306 IonicContact NH1-OD2 2.82Å; R31-D306 PolarHBondContact NH1-OD2 3.38Å; R31-D306 VanDerWaalsContact NH1-OD2 3.14Å; R31-D309 IonicContact NH2-OD2 3.67Å
32	V	82.9	Confident	80.4	Confident	39 Å²	39	52.4 Å²	52.4	24%	0.236	27%	0.265	C	S	.	.			trans	-106.4	116	177.5	-176.4	0	0	0	0	108.4	L30 K39 F40 M41	L30-V32 PolarHBondContact O-N 3.05Å; V32-K39 HydrophobicContact CG1-CB 3.57Å; V32-K39 HydrophobicContact CG1-CD 4.27Å; V32-K39 HydrophobicContact CG1-CG 3.87Å; V32-F40 CarbonylContact C-O 3.57Å; V32-F40 WeakPolarHBondContact CA-O 3.38Å; V32-M41 HydrophobicContact CB-CG 4.46Å; V32-M41 HydrophobicContact CG2-CG 3.92Å; V32-M41 HydrophobicContact CG2-SD 3.91Å
33	H	85.7	Confident	81.4	Confident	27 Å²	27	51.6 Å²	51.6	13%	0.125	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	110.9	169.8	-59	-98.9	0	0	0	108.4	F40 Y66 H80 D306	H33-F40 HydrophobicContact CB-CB 4.11Å; H33-F40 PolarHBondContact N-O 3.29Å; H33-F40 WeakPolarHBondContact O-CB 3.38Å; H33-F40 PolarHBondContact O-N 3.1Å; H33-Y66 AromaticContact CD2-CE2 3.36Å; H33-Y66 WeakPolarHBondContact CD2-CE2 3.37Å; H33-Y66 AromaticContact CD2-CZ 3.66Å; H33-Y66 AromaticContact CE1-CE2 4Å; H33-Y66 AromaticContact CG-CE2 3.82Å; H33-Y66 AromaticContact NE2-CE2 3.5Å; H33-Y66 WeakPolarHBondContact NE2-CE2 3.41Å; H33-Y66 AromaticContact NE2-CZ 3.41Å; H33-Y66 PolarHBondContact NE2-OH 3.41Å; H33-Y66 VanDerWaalsContact NE2-OH 3.08Å; H33-H80 AromaticContact CG-CD2 3.93Å; H33-H80 AromaticContact CG-NE2 3.53Å; H33-H80 AromaticContact ND1-CE1 3.95Å; H33-H80 AromaticContact ND1-NE2 3.29Å; H33-H80 PolarHBondContact ND1-NE2 2.98Å; H33-D306 IonicContact CE1-OD2 3.41Å; H33-D306 PolarHBondContact CE1-OD2 2.77Å; H33-D306 IonicContact NE2-OD2 3.07Å; H33-D306 PolarHBondContact NE2-OD2 3.28Å
34	Q	86	Confident	82.6	Confident	120 Å²	120	49 Å²	49	56%	0.561	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	113.8	176.9	-172.5	162.1	-22.3	0	0	110.5	H38	Q34-H38 VanDerWaalsContact CA-O 3.25Å; Q34-H38 WeakPolarHBondContact CA-O 3.21Å
35	V	87.2	Confident	83.6	Confident	12 Å²	12	45.9 Å²	45.9	7%	0.073	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	120.3	179.4	-174.9	0	0	0	0	108.8	A37 H38 F40 V83	V35-A37 PolarHBondContact O-N 3.45Å; V35-A37 VanDerWaalsContact O-N 3.16Å; V35-H38 PolarHBondContact N-O 2.96Å; V35-H38 WeakPolarHBondContact O-CA 3.2Å; V35-H38 VanDerWaalsContact O-CB 3.23Å; V35-H38 WeakPolarHBondContact O-CB 3.32Å; V35-H38 PolarHBondContact O-N 3.45Å; V35-F40 HydrophobicContact CB-CD2 4.24Å; V35-F40 HydrophobicContact CB-CE2 4.28Å; V35-F40 HydrophobicContact CG2-CD2 4.36Å; V35-V83 HydrophobicContact CG1-CB 4.48Å
36	N	86.2	Confident	84.3	Confident	39 Å²	39	51.7 Å²	51.7	21%	0.209	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	45.7	48.4	-179	-74.7	-46.5	0	0	0	113.6	H38 V83 W85 K86 C87 G195	N36-H38 PolarHBondContact O-N 3.23Å; N36-H38 VanDerWaalsContact O-N 3.08Å; N36-V83 PolarHBondContact ND2-O 2.89Å; N36-W85 VanDerWaalsContact CB-O 3.26Å; N36-W85 WeakPolarHBondContact CB-O 3.29Å; N36-K86 CarbonylContact O-C 3.57Å; N36-K86 VanDerWaalsContact O-CA 3.3Å; N36-K86 WeakPolarHBondContact O-CA 3.36Å; N36-C87 PolarHBondContact O-N 3.16Å; N36-G195 PolarHBondContact ND2-O 2.97Å; N36-G195 PolarHBondContact OD1-O 3.43Å
37	A	88.5	Confident	85.2	Confident	22 Å²	22	51.2 Å²	51.2	18%	0.182	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	2.8	-176.4	0	0	0	0	0	116.2	V35 L70 C87 F90	V35-A37 PolarHBondContact O-N 3.45Å; V35-A37 VanDerWaalsContact O-N 3.16Å; A37-L70 WeakPolarHBondContact O-CD1 3.28Å; A37-C87 HydrophobicContact CB-CB 4.17Å; A37-C87 VanDerWaalsContact O-CB 3.28Å; A37-C87 WeakPolarHBondContact O-CB 3.43Å; A37-F90 HydrophobicContact CB-CB 3.72Å; A37-F90 HydrophobicContact CB-CD1 3.76Å; A37-F90 HydrophobicContact CB-CD2 3.95Å; A37-F90 HydrophobicContact CB-CE1 4.3Å; A37-F90 HydrophobicContact CB-CE2 4.5Å; A37-F90 HydrophobicContact CB-CG 3.56Å
38	H	90.5	Very high	85.8	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	138.9	165.7	-69.8	-95.1	0	0	0	109.9	Q34 V35 N36 F40 C68 C71 W85 C87	Q34-H38 VanDerWaalsContact CA-O 3.25Å; Q34-H38 WeakPolarHBondContact CA-O 3.21Å; V35-H38 PolarHBondContact N-O 2.96Å; V35-H38 WeakPolarHBondContact O-CA 3.2Å; V35-H38 VanDerWaalsContact O-CB 3.23Å; V35-H38 WeakPolarHBondContact O-CB 3.32Å; V35-H38 PolarHBondContact O-N 3.45Å; N36-H38 PolarHBondContact O-N 3.23Å; N36-H38 VanDerWaalsContact O-N 3.08Å; H38-F40 HydrophobicContact CB-CD2 3.68Å; H38-F40 HydrophobicContact CB-CE1 4.44Å; H38-F40 HydrophobicContact CB-CE2 3.32Å; H38-F40 HydrophobicContact CB-CG 4.38Å; H38-F40 HydrophobicContact CB-CZ 3.74Å; H38-F40 AromaticContact CG-CE2 3.77Å; H38-F40 AromaticContact CG-CZ 3.78Å; H38-F40 AromaticContact ND1-CZ 3.87Å; H38-C68 HydrophobicContact CB-CB 4.28Å; H38-C68 PolarHBondContact ND1-SG 3.18Å; H38-C71 PolarHBondContact CE1-SG 3.41Å; H38-C71 PolarHBondContact ND1-SG 3.08Å; H38-C71 VanDerWaalsContact ND1-SG 3.43Å; H38-W85 AromaticContact CE1-NE1 3.89Å; H38-W85 AromaticContact NE2-CD1 3.46Å; H38-W85 AromaticContact NE2-NE1 3.54Å; H38-W85 PolarHBondContact NE2-O 3.05Å; H38-C87 HydrophobicContact CB-CB 4.25Å; H38-C87 VanDerWaalsContact NE2-CA 3.28Å; H38-C87 WeakPolarHBondContact NE2-CA 3.4Å; H38-C87 PolarHBondContact NE2-N 3.29Å
39	K	89.5	Confident	86.4	Confident	71 Å²	71	52 Å²	52	31%	0.309	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	83.4	169.8	-71.6	-168.3	175.9	-169.2	0	109.3	V32 C68 R69 L70	V32-K39 HydrophobicContact CG1-CB 3.57Å; V32-K39 HydrophobicContact CG1-CD 4.27Å; V32-K39 HydrophobicContact CG1-CG 3.87Å; K39-C68 PolarHBondContact N-SG 3.17Å; K39-C68 VanDerWaalsContact N-SG 3.45Å; K39-C68 CarbonylContact O-C 3.57Å; K39-C68 VanDerWaalsContact O-CA 3.3Å; K39-C68 WeakPolarHBondContact O-CA 3.38Å; K39-R69 PolarHBondContact O-N 3.47Å; K39-L70 HydrophobicContact CB-CG 4.47Å; K39-L70 HydrophobicContact CG-CD1 4.32Å
40	F	92.7	Very high	87	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	134.4	-177.1	-77	-64	0	0	0	111.9	V32 H33 V35 H38 Y66 C68 V73 V75 H80 V83	V32-F40 CarbonylContact C-O 3.57Å; V32-F40 WeakPolarHBondContact CA-O 3.38Å; H33-F40 HydrophobicContact CB-CB 4.11Å; H33-F40 PolarHBondContact N-O 3.29Å; H33-F40 WeakPolarHBondContact O-CB 3.38Å; H33-F40 PolarHBondContact O-N 3.1Å; V35-F40 HydrophobicContact CB-CD2 4.24Å; V35-F40 HydrophobicContact CB-CE2 4.28Å; V35-F40 HydrophobicContact CG2-CD2 4.36Å; H38-F40 HydrophobicContact CB-CD2 3.68Å; H38-F40 HydrophobicContact CB-CE1 4.44Å; H38-F40 HydrophobicContact CB-CE2 3.32Å; H38-F40 HydrophobicContact CB-CG 4.38Å; H38-F40 HydrophobicContact CB-CZ 3.74Å; H38-F40 AromaticContact CG-CE2 3.77Å; H38-F40 AromaticContact CG-CZ 3.78Å; H38-F40 AromaticContact ND1-CZ 3.87Å; F40-Y66 HydrophobicContact CB-CD2 4.15Å; F40-Y66 HydrophobicContact CB-CG 4.41Å; F40-C68 HydrophobicContact CD1-CB 4.08Å; F40-C68 HydrophobicContact CE1-CB 3.95Å; F40-V73 HydrophobicContact CE1-CG1 3.73Å; F40-V73 HydrophobicContact CZ-CG1 3.96Å; F40-V75 HydrophobicContact CD1-CG2 4.02Å; F40-V75 HydrophobicContact CE1-CG1 4.47Å; F40-V75 HydrophobicContact CE1-CG2 3.66Å; F40-V75 HydrophobicContact CZ-CG2 4.09Å; F40-H80 HydrophobicContact CD2-CB 4.1Å; F40-H80 HydrophobicContact CE2-CB 4.45Å; F40-H80 HydrophobicContact CG-CB 4.28Å; F40-V83 HydrophobicContact CE2-CB 4.18Å; F40-V83 HydrophobicContact CE2-CG1 4.25Å; F40-V83 HydrophobicContact CE2-CG2 4.09Å; F40-V83 HydrophobicContact CZ-CB 4.36Å; F40-V83 HydrophobicContact CZ-CG1 4.22Å; F40-V83 HydrophobicContact CZ-CG2 3.92Å
41	M	87.6	Confident	87.9	Confident	21 Å²	21	50.4 Å²	50.4	10%	0.103	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	144	178.9	-67.6	177.4	50.5	0	0	111.4	L30 V32 T43 Y66 Q67 R69	L30-M41 HydrophobicContact CB-CE 3.55Å; L30-M41 HydrophobicContact CD1-CE 3.83Å; L30-M41 HydrophobicContact CD2-CE 3.57Å; L30-M41 HydrophobicContact CG-CE 3.8Å; V32-M41 HydrophobicContact CB-CG 4.46Å; V32-M41 HydrophobicContact CG2-CG 3.92Å; V32-M41 HydrophobicContact CG2-SD 3.91Å; M41-T43 PolarHBondContact O-N 3.16Å; M41-Y66 CarbonylContact O-C 3.47Å; M41-Y66 VanDerWaalsContact O-CA 3.27Å; M41-Y66 WeakPolarHBondContact O-CA 3.4Å; M41-Q67 PolarHBondContact N-O 3.19Å; M41-Q67 PolarHBondContact O-N 2.78Å; M41-R69 HydrophobicContact CG-CG 4.12Å; M41-R69 HydrophobicContact SD-CG 3.25Å; M41-R69 WeakPolarHBondContact SD-CG 3.32Å
42	A	89.1	Confident	88.7	Confident	28 Å²	28	47.5 Å²	47.5	23%	0.231	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	125.4	171.2	0	0	0	0	0	110.9	K63 Y66	A42-K63 HydrophobicContact CB-CB 4.15Å; A42-K63 HydrophobicContact CB-CD 3.71Å; A42-Y66 HydrophobicContact CB-CD1 4.14Å; A42-Y66 HydrophobicContact CB-CE1 3.83Å
43	T	88	Confident	89.2	Confident	33 Å²	33	46 Å²	46	20%	0.202	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	150.4	-178.7	-169.1	0	0	0	0	111.5	M41 L45 K63 Q64 G65 Q67	M41-T43 PolarHBondContact O-N 3.16Å; T43-L45 HydrophobicContact CG2-CD2 3.58Å; T43-L45 HydrophobicContact CG2-CG 4.14Å; T43-K63 CarbonylContact O-C 3.33Å; T43-K63 VanDerWaalsContact O-CA 3.28Å; T43-K63 WeakPolarHBondContact O-CA 3.35Å; T43-Q64 PolarHBondContact O-N 3.49Å; T43-G65 PolarHBondContact N-O 3.3Å; T43-Q67 HydrophobicContact CG2-CB 3.61Å
44	F	87.5	Confident	89.5	Confident	117 Å²	117	45.6 Å²	45.6	51%	0.513	23%	0.225	S	C	.	.			trans	-85	114.3	171.4	-173.5	-92.2	0	0	0	109.4	R46 G62	F44-R46 HydrophobicContact CD1-CB 4.43Å; F44-R46 HydrophobicContact CD1-CG 3.58Å; F44-R46 HydrophobicContact CE1-CB 4.34Å; F44-R46 HydrophobicContact CE1-CG 3.78Å; F44-R46 PolarHBondContact O-N 3.06Å; F44-G62 WeakPolarHBondContact CD2-O 3.27Å
45	L	89.1	Confident	89.7	Confident	20 Å²	20	46.5 Å²	46.5	11%	0.105	22%	0.223	C	C	.	.			trans	-88.9	97.9	179.3	-58.9	173.6	0	0	0	108.4	T43 Q47 T49 I58 Q64 V74	T43-L45 HydrophobicContact CG2-CD2 3.58Å; T43-L45 HydrophobicContact CG2-CG 4.14Å; L45-Q47 PolarHBondContact O-N 3.42Å; L45-Q47 VanDerWaalsContact O-N 3.1Å; L45-T49 HydrophobicContact CD1-CG2 3.99Å; L45-T49 HydrophobicContact CD2-CG2 4.15Å; L45-I58 HydrophobicContact CD1-CB 3.98Å; L45-I58 HydrophobicContact CD1-CD1 3.89Å; L45-I58 HydrophobicContact CD1-CG2 3.66Å; L45-Q64 HydrophobicContact CD1-CB 4.45Å; L45-V74 HydrophobicContact CD1-CG1 3.93Å; L45-V74 HydrophobicContact CD2-CG1 3.88Å; L45-V74 HydrophobicContact CD2-CG2 4.45Å
46	R	85.8	Confident	89.9	Confident	232 Å²	232	50 Å²	50	88%	0.875	24%	0.239	S	C	*	.			trans	-65.1	-11.8	-175.8	-65.3	-175	176.3	-172.2	-0.7	114.8	F44	F44-R46 HydrophobicContact CD1-CB 4.43Å; F44-R46 HydrophobicContact CD1-CG 3.58Å; F44-R46 HydrophobicContact CE1-CB 4.34Å; F44-R46 HydrophobicContact CE1-CG 3.78Å; F44-R46 PolarHBondContact O-N 3.06Å
47	Q	85.8	Confident	90.2	Very high	50 Å²	50	52.1 Å²	52.1	23%	0.234	25%	0.246	C	C	.	.	S	Bend	trans	-135.6	157.2	-177.7	68.3	-171.9	-73.1	0	0	109.5	L45 T49 S146 Y149	L45-Q47 PolarHBondContact O-N 3.42Å; L45-Q47 VanDerWaalsContact O-N 3.1Å; Q47-T49 PolarHBondContact O-N 3.4Å; Q47-T49 PolarHBondContact O-OG1 2.93Å; Q47-S146 PolarHBondContact NE2-OG 2.91Å; Q47-Y149 PolarHBondContact OE1-OH 3.46Å
48	P	87.9	Confident	90.3	Very high	73 Å²	73	51.3 Å²	51.3	47%	0.474	24%	0.239	S	C	.	.			trans	-46.7	117.8	167.1	-30.2	37.9	0	0	0	110.7	F57 F140	P48-F57 HydrophobicContact CB-CE2 3.46Å; P48-F57 VanDerWaalsContact CB-CE2 3.46Å; P48-F57 HydrophobicContact CB-CZ 3.86Å; P48-F140 HydrophobicContact CB-CE1 4.28Å; P48-F140 HydrophobicContact CB-CZ 4.21Å; P48-F140 WeakPolarHBondContact O-CD1 3.46Å; P48-F140 WeakPolarHBondContact O-CE1 3.49Å
49	T	92	Very high	90.2	Very high	2 Å²	2	60.2 Å²	60.2	1%	0.012	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	134.2	-171.9	-59.1	0	0	0	0	109.4	L45 Q47 I58 V74 G145	L45-T49 HydrophobicContact CD1-CG2 3.99Å; L45-T49 HydrophobicContact CD2-CG2 4.15Å; Q47-T49 PolarHBondContact O-N 3.4Å; Q47-T49 PolarHBondContact O-OG1 2.93Å; T49-I58 HydrophobicContact CG2-CD1 4.3Å; T49-I58 WeakPolarHBondContact O-CB 3.4Å; T49-I58 PolarHBondContact O-N 3.09Å; T49-V74 HydrophobicContact CG2-CB 4.32Å; T49-V74 HydrophobicContact CG2-CG1 3.97Å; T49-G145 WeakPolarHBondContact CA-O 3.26Å
50	F	92.5	Very high	89.7	Confident	70 Å²	70	58.6 Å²	58.6	31%	0.307	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	147.4	177.3	-69.5	-94.4	0	0	0	111.3	F57 F140	F50-F57 HydrophobicContact CD1-CB 4.31Å; F50-F57 HydrophobicContact CE1-CB 4.03Å; F50-F57 HydrophobicContact CE1-CD2 4.29Å; F50-F57 HydrophobicContact CE2-CD2 4.31Å; F50-F57 HydrophobicContact CZ-CD2 4.16Å; F50-F140 HydrophobicContact CD2-CB 4.02Å; F50-F140 HydrophobicContact CD2-CD2 4.04Å; F50-F140 AromaticContact CD2-CG 3.95Å; F50-F140 HydrophobicContact CD2-CG 3.95Å; F50-F140 AromaticContact CE2-CD2 3.67Å; F50-F140 HydrophobicContact CE2-CD2 3.67Å; F50-F140 HydrophobicContact CE2-CE2 4.02Å; F50-F140 HydrophobicContact CE2-CG 4.05Å
51	C	94.3	Very high	88.8	Confident	2 Å²	2	65 Å²	65	1%	0.014	31%	0.31	C	S	.	.			trans	-77.2	128.1	177.6	171.1	0	0	0	0	111.6	H53 R55 E56 I58 V75 H76	C51-H53 PolarHBondContact O-N 3.01Å; C51-H53 PolarHBondContact SG-N 3.47Å; C51-R55 WeakPolarHBondContact O-CA 3.37Å; C51-R55 PolarHBondContact O-N 3.15Å; C51-E56 PolarHBondContact N-O 3.49Å; C51-I58 HydrophobicContact CB-CD1 4Å; C51-I58 HydrophobicContact CB-CG1 3.84Å; C51-V75 VanDerWaalsContact SG-CA 3.53Å; C51-H76 WeakPolarHBondContact CB-CE1 3.31Å; C51-H76 WeakPolarHBondContact CB-ND1 3.39Å; C51-H76 PolarHBondContact SG-N 2.86Å; C51-H76 VanDerWaalsContact SG-N 3.41Å; C51-H76 PolarHBondContact SG-ND1 2.74Å; C51-H76 VanDerWaalsContact SG-ND1 3.42Å
52	A	94.2	Very high	88.4	Confident	19 Å²	19	65 Å²	65	16%	0.157	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-23.4	177.3	0	0	0	0	0	114	V73 V74 V75 D142	A52-V73 HydrophobicContact CB-CG2 3.42Å; A52-V73 VanDerWaalsContact CB-CG2 3.42Å; A52-V74 WeakPolarHBondContact CB-O 3.36Å; A52-V74 PolarHBondContact N-O 3.21Å; A52-V75 HydrophobicContact CB-CG1 4.32Å; A52-D142 WeakPolarHBondContact CA-O 3.42Å; A52-D142 VanDerWaalsContact CB-O 3.23Å; A52-D142 WeakPolarHBondContact CB-O 3.28Å
53	H	93.1	Very high	88.2	Confident	8 Å²	8	67 Å²	67	4%	0.037	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84	-58.8	-178.9	176.8	80.5	0	0	0	113	C51 V75 C79 N82 W85 S181	C51-H53 PolarHBondContact O-N 3.01Å; C51-H53 PolarHBondContact SG-N 3.47Å; H53-V75 HydrophobicContact CB-CG1 4.11Å; H53-C79 HydrophobicContact CB-CB 4.06Å; H53-N82 PolarHBondContact CE1-O 2.83Å; H53-N82 PolarHBondContact ND1-O 3.44Å; H53-W85 HydrophobicContact CB-CH2 3.94Å; H53-W85 AromaticContact ND1-CH2 3.82Å; H53-W85 AromaticContact ND1-CZ3 3.78Å; H53-S181 PolarHBondContact CE1-O 3.22Å
54	C	92.4	Very high	88.2	Confident	19 Å²	19	67 Å²	67	13%	0.128	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-8.9	-176.6	67.5	0	0	0	0	114.4	E56 H76 K182	C54-E56 HydrophobicContact CB-CG 4.49Å; C54-E56 PolarHBondContact O-N 3.21Å; C54-E56 PolarHBondContact SG-N 2.97Å; C54-H76 PolarHBondContact SG-CE1 2.99Å; C54-H76 PolarHBondContact SG-ND1 3.38Å; C54-K182 HydrophobicContact CB-CD 4.18Å
55	R	89.6	Confident	88.4	Confident	138 Å²	138	61.5 Å²	61.5	52%	0.521	29%	0.292	S	S	.	.			trans	63	12.7	-176.1	-51.7	-177.8	-177.2	141.3	3.1	115	C51	C51-R55 WeakPolarHBondContact O-CA 3.37Å; C51-R55 PolarHBondContact O-N 3.15Å
56	E	91.8	Very high	88.7	Confident	85 Å²	85	60.9 Å²	60.9	40%	0.397	29%	0.289	S	S	.	.			trans	-89.3	159.1	173.9	-62.5	166.3	-165.5	0	0	111.1	C51 C54 H76 R78 K182	C51-E56 PolarHBondContact N-O 3.49Å; C54-E56 HydrophobicContact CB-CG 4.49Å; C54-E56 PolarHBondContact O-N 3.21Å; C54-E56 PolarHBondContact SG-N 2.97Å; E56-H76 PolarHBondContact O-CE1 2.94Å; E56-R78 IonicContact OE2-NH2 3.37Å; E56-R78 PolarHBondContact OE2-NH2 3.36Å; E56-K182 IonicContact OE1-NZ 3.72Å
57	F	91.9	Very high	89.1	Confident	84 Å²	84	52.4 Å²	52.4	37%	0.368	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	133.7	178.2	-173.2	-119.6	0	0	0	112	P48 F50 W59 H76	P48-F57 HydrophobicContact CB-CE2 3.46Å; P48-F57 VanDerWaalsContact CB-CE2 3.46Å; P48-F57 HydrophobicContact CB-CZ 3.86Å; F50-F57 HydrophobicContact CD1-CB 4.31Å; F50-F57 HydrophobicContact CE1-CB 4.03Å; F50-F57 HydrophobicContact CE1-CD2 4.29Å; F50-F57 HydrophobicContact CE2-CD2 4.31Å; F50-F57 HydrophobicContact CZ-CD2 4.16Å; F57-W59 HydrophobicContact CD1-CB 3.76Å; F57-W59 HydrophobicContact CD1-CG 4.38Å; F57-W59 HydrophobicContact CE1-CB 3.72Å; F57-H76 PolarHBondContact O-NE2 3.47Å
58	I	91.9	Very high	89.5	Confident	5 Å²	5	50 Å²	50	3%	0.026	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	110.9	173.4	-53.2	173.9	0	0	0	108.2	L45 T49 C51 Q64 V74 H76	L45-I58 HydrophobicContact CD1-CB 3.98Å; L45-I58 HydrophobicContact CD1-CD1 3.89Å; L45-I58 HydrophobicContact CD1-CG2 3.66Å; T49-I58 HydrophobicContact CG2-CD1 4.3Å; T49-I58 WeakPolarHBondContact O-CB 3.4Å; T49-I58 PolarHBondContact O-N 3.09Å; C51-I58 HydrophobicContact CB-CD1 4Å; C51-I58 HydrophobicContact CB-CG1 3.84Å; I58-Q64 HydrophobicContact CG2-CB 3.74Å; I58-Q64 WeakPolarHBondContact CG2-O 3.37Å; I58-V74 HydrophobicContact CD1-CG1 3.56Å; I58-H76 WeakPolarHBondContact CA-NE2 3.43Å
59	W	87.5	Confident	89.5	Confident	188 Å²	188	54.4 Å²	54.4	71%	0.712	26%	0.255	S	S	*	.			trans	-127.1	157.5	179.6	64	-82.7	0	0	0	110.6	F57	F57-W59 HydrophobicContact CD1-CB 3.76Å; F57-W59 HydrophobicContact CD1-CG 4.38Å; F57-W59 HydrophobicContact CE1-CB 3.72Å
60	G	79.6	Confident	89.4	Confident	37 Å²	37	57.3 Å²	57.3	38%	0.381	27%	0.27	S	S	.	.			trans	153	166.4	-177.6	0	0	0	0	0	111.4	Q64	G60-Q64 WeakPolarHBondContact O-CG 3.44Å; G60-Q64 PolarHBondContact O-NE2 3.37Å
61	L	74.1	Confident	89.4	Confident	134 Å²	134	54 Å²	54	70%	0.702	26%	0.256	S	S	*	.	S	Bend	trans	-85.4	144.3	170.2	-62.1	175.1	0	0	0	109.6	V594	L61-V594 HydrophobicContact CD1-CG2 3.87Å
62	G	79	Confident	89.4	Confident	22 Å²	22	56.2 Å²	56.2	23%	0.227	27%	0.269	C	S	.	.	S	Bend	trans	67	-131.8	178.3	0	0	0	0	0	114	F44 Q64	F44-G62 WeakPolarHBondContact CD2-O 3.27Å; G62-Q64 PolarHBondContact O-N 3.26Å; G62-Q64 PolarHBondContact O-NE2 3.46Å; G62-Q64 PolarHBondContact O-OE1 3.41Å
63	K	84.4	Confident	89.4	Confident	69 Å²	69	55.5 Å²	55.5	30%	0.3	26%	0.263	S	S	.	.	S	Bend	trans	-78.5	98	179.8	-64.2	175	-171.4	153.4	0	111	A42 T43 K77 D305	A42-K63 HydrophobicContact CB-CB 4.15Å; A42-K63 HydrophobicContact CB-CD 3.71Å; T43-K63 CarbonylContact O-C 3.33Å; T43-K63 VanDerWaalsContact O-CA 3.28Å; T43-K63 WeakPolarHBondContact O-CA 3.35Å; K63-K77 WeakPolarHBondContact O-CE 3.4Å; K63-K77 PolarHBondContact O-NZ 2.83Å; K63-D305 WeakPolarHBondContact CE-OD1 3.37Å; K63-D305 IonicContact NZ-OD1 2.79Å; K63-D305 PolarHBondContact NZ-OD1 3.39Å; K63-D305 IonicContact NZ-OD2 2.69Å
64	Q	88.3	Confident	89.6	Confident	34 Å²	34	55.1 Å²	55.1	16%	0.159	26%	0.261	C	S	.	.			trans	-82.2	-24.2	-168.4	-50.2	88.8	-14.6	0	0	114.7	T43 L45 I58 G60 G62	T43-Q64 PolarHBondContact O-N 3.49Å; L45-Q64 HydrophobicContact CD1-CB 4.45Å; I58-Q64 HydrophobicContact CG2-CB 3.74Å; I58-Q64 WeakPolarHBondContact CG2-O 3.37Å; G60-Q64 WeakPolarHBondContact O-CG 3.44Å; G60-Q64 PolarHBondContact O-NE2 3.37Å; G62-Q64 PolarHBondContact O-N 3.26Å; G62-Q64 PolarHBondContact O-NE2 3.46Å; G62-Q64 PolarHBondContact O-OE1 3.41Å
65	G	92.2	Very high	89.8	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	174.7	-171.3	0	0	0	0	0	113.1	T43 V75	T43-G65 PolarHBondContact N-O 3.3Å; G65-V75 WeakPolarHBondContact CA-O 3.48Å
66	Y	94.5	Very high	90	Very high	7 Å²	7	48 Å²	48	3%	0.027	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	134.1	177.1	-72.8	-4.5	0	0	0	110.8	H33 F40 M41 A42 V74 V75 K77 H80 D306	H33-Y66 AromaticContact CD2-CE2 3.36Å; H33-Y66 WeakPolarHBondContact CD2-CE2 3.37Å; H33-Y66 AromaticContact CD2-CZ 3.66Å; H33-Y66 AromaticContact CE1-CE2 4Å; H33-Y66 AromaticContact CG-CE2 3.82Å; H33-Y66 AromaticContact NE2-CE2 3.5Å; H33-Y66 WeakPolarHBondContact NE2-CE2 3.41Å; H33-Y66 AromaticContact NE2-CZ 3.41Å; H33-Y66 PolarHBondContact NE2-OH 3.41Å; H33-Y66 VanDerWaalsContact NE2-OH 3.08Å; F40-Y66 HydrophobicContact CB-CD2 4.15Å; F40-Y66 HydrophobicContact CB-CG 4.41Å; M41-Y66 CarbonylContact O-C 3.47Å; M41-Y66 VanDerWaalsContact O-CA 3.27Å; M41-Y66 WeakPolarHBondContact O-CA 3.4Å; A42-Y66 HydrophobicContact CB-CD1 4.14Å; A42-Y66 HydrophobicContact CB-CE1 3.83Å; Y66-V74 CarbonylContact O-C 3.52Å; Y66-V74 WeakPolarHBondContact O-CA 3.33Å; Y66-V75 PolarHBondContact N-O 3.27Å; Y66-V75 PolarHBondContact O-N 3.39Å; Y66-K77 HydrophobicContact CD1-CG 3.83Å; Y66-K77 HydrophobicContact CE1-CB 4.31Å; Y66-K77 HydrophobicContact CE1-CD 3.94Å; Y66-K77 HydrophobicContact CE1-CG 3.57Å; Y66-K77 HydrophobicContact CG-CG 4.49Å; Y66-H80 HydrophobicContact CD2-CB 3.66Å; Y66-H80 AromaticContact CD2-CD2 3.97Å; Y66-H80 AromaticContact CD2-CG 3.48Å; Y66-H80 VanDerWaalsContact CD2-CG 3.48Å; Y66-H80 AromaticContact CD2-ND1 3.61Å; Y66-H80 HydrophobicContact CE2-CB 4.41Å; Y66-H80 AromaticContact CE2-CE1 3.58Å; Y66-H80 AromaticContact CE2-CG 3.74Å; Y66-H80 AromaticContact CE2-ND1 3.46Å; Y66-H80 WeakPolarHBondContact CE2-ND1 3.35Å; Y66-H80 AromaticContact CE2-NE2 3.93Å; Y66-D306 PolarHBondContact OH-OD2 3.31Å
67	Q	94.5	Very high	90	Very high	54 Å²	54	46.7 Å²	46.7	25%	0.252	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	132.4	173.7	-176.8	172.2	31.8	0	0	110.1	M41 T43 R69 T72 V73 V74	M41-Q67 PolarHBondContact N-O 3.19Å; M41-Q67 PolarHBondContact O-N 2.78Å; T43-Q67 HydrophobicContact CG2-CB 3.61Å; Q67-R69 PolarHBondContact O-N 3.21Å; Q67-T72 PolarHBondContact NE2-O 2.82Å; Q67-V73 CarbonylContact C-O 3.47Å; Q67-V73 WeakPolarHBondContact CA-O 3.49Å; Q67-V74 HydrophobicContact CB-CG2 4.06Å; Q67-V74 HydrophobicContact CG-CG2 3.87Å
68	C	93.9	Very high	89.9	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	125.1	172.3	179.7	0	0	0	0	109.9	H38 K39 F40 L70 T72 V73	H38-C68 HydrophobicContact CB-CB 4.28Å; H38-C68 PolarHBondContact ND1-SG 3.18Å; K39-C68 PolarHBondContact N-SG 3.17Å; K39-C68 VanDerWaalsContact N-SG 3.45Å; K39-C68 CarbonylContact O-C 3.57Å; K39-C68 VanDerWaalsContact O-CA 3.3Å; K39-C68 WeakPolarHBondContact O-CA 3.38Å; F40-C68 HydrophobicContact CD1-CB 4.08Å; F40-C68 HydrophobicContact CE1-CB 3.95Å; C68-L70 PolarHBondContact O-N 2.86Å; C68-L70 PolarHBondContact SG-N 3.2Å; C68-L70 VanDerWaalsContact SG-N 3.43Å; C68-T72 WeakPolarHBondContact O-CA 3.35Å; C68-T72 PolarHBondContact O-N 2.91Å; C68-V73 HydrophobicContact CB-CG1 3.79Å; C68-V73 PolarHBondContact N-O 2.85Å
69	R	88.1	Confident	90	Very high	166 Å²	166	50 Å²	50	63%	0.626	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-22.1	177.6	-67.6	-66.4	-68.3	-178.1	-3.1	114.2	K39 M41 Q67	K39-R69 PolarHBondContact O-N 3.47Å; M41-R69 HydrophobicContact CG-CG 4.12Å; M41-R69 HydrophobicContact SD-CG 3.25Å; M41-R69 WeakPolarHBondContact SD-CG 3.32Å; Q67-R69 PolarHBondContact O-N 3.21Å
70	L	89.4	Confident	90.3	Very high	62 Å²	62	41.6 Å²	41.6	33%	0.325	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-61.5	-177.4	-54.7	179.5	0	0	0	111.1	A37 K39 C68 F90	A37-L70 WeakPolarHBondContact O-CD1 3.28Å; K39-L70 HydrophobicContact CB-CG 4.47Å; K39-L70 HydrophobicContact CG-CD1 4.32Å; C68-L70 PolarHBondContact O-N 2.86Å; C68-L70 PolarHBondContact SG-N 3.2Å; C68-L70 VanDerWaalsContact SG-N 3.43Å; L70-F90 HydrophobicContact CD1-CB 4.23Å; L70-F90 HydrophobicContact CD1-CD2 3.99Å
71	C	92.5	Very high	90.8	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.007	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-11.2	-175.2	71.9	0	0	0	0	113.8	H38 V73 H143 N172	H38-C71 PolarHBondContact CE1-SG 3.41Å; H38-C71 PolarHBondContact ND1-SG 3.08Å; H38-C71 VanDerWaalsContact ND1-SG 3.43Å; C71-V73 VanDerWaalsContact C-N 3.3Å; C71-V73 PolarHBondContact O-N 3.46Å; C71-V73 WeakPolarHBondContact SG-CG1 3.43Å; C71-H143 PolarHBondContact O-CE1 2.77Å; C71-H143 PolarHBondContact O-NE2 3.39Å; C71-N172 HydrophobicContact CB-CB 4.05Å; C71-N172 WeakPolarHBondContact O-CB 3.46Å; C71-N172 PolarHBondContact O-ND2 3.16Å
72	T	94	Very high	91.7	Very high	49 Å²	49	42.9 Å²	42.9	30%	0.301	20%	0.199	S	C	.	.			trans	71.1	9.4	-176.1	73.4	0	0	0	0	116.4	Q67 C68	Q67-T72 PolarHBondContact NE2-O 2.82Å; C68-T72 WeakPolarHBondContact O-CA 3.35Å; C68-T72 PolarHBondContact O-N 2.91Å
73	V	95.8	Very high	92.2	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.018	19%	0.188	C	C	.	.			trans	-62	140.2	175.2	76.4	0	0	0	0	110.9	F40 A52 Q67 C68 C71 H143	F40-V73 HydrophobicContact CE1-CG1 3.73Å; F40-V73 HydrophobicContact CZ-CG1 3.96Å; A52-V73 HydrophobicContact CB-CG2 3.42Å; A52-V73 VanDerWaalsContact CB-CG2 3.42Å; Q67-V73 CarbonylContact C-O 3.47Å; Q67-V73 WeakPolarHBondContact CA-O 3.49Å; C68-V73 HydrophobicContact CB-CG1 3.79Å; C68-V73 PolarHBondContact N-O 2.85Å; C71-V73 VanDerWaalsContact C-N 3.3Å; C71-V73 PolarHBondContact O-N 3.46Å; C71-V73 WeakPolarHBondContact SG-CG1 3.43Å; V73-H143 VanDerWaalsContact CA-O 3.29Å; V73-H143 WeakPolarHBondContact CA-O 2.97Å; V73-H143 WeakPolarHBondContact CG2-O 3.33Å
74	V	96.3	Very high	92.3	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	134.7	-179.1	-174.5	0	0	0	0	111.5	L45 T49 A52 I58 Y66 Q67 H143 C144	L45-V74 HydrophobicContact CD1-CG1 3.93Å; L45-V74 HydrophobicContact CD2-CG1 3.88Å; L45-V74 HydrophobicContact CD2-CG2 4.45Å; T49-V74 HydrophobicContact CG2-CB 4.32Å; T49-V74 HydrophobicContact CG2-CG1 3.97Å; A52-V74 WeakPolarHBondContact CB-O 3.36Å; A52-V74 PolarHBondContact N-O 3.21Å; I58-V74 HydrophobicContact CD1-CG1 3.56Å; Y66-V74 CarbonylContact O-C 3.52Å; Y66-V74 WeakPolarHBondContact O-CA 3.33Å; Q67-V74 HydrophobicContact CB-CG2 4.06Å; Q67-V74 HydrophobicContact CG-CG2 3.87Å; V74-H143 PolarHBondContact N-O 2.97Å; V74-C144 WeakPolarHBondContact CG2-O 3.14Å
75	V	95.8	Very high	92.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	161.3	178.2	-62.5	0	0	0	0	112	F40 C51 A52 H53 G65 Y66 C79 H80 V83	F40-V75 HydrophobicContact CD1-CG2 4.02Å; F40-V75 HydrophobicContact CE1-CG1 4.47Å; F40-V75 HydrophobicContact CE1-CG2 3.66Å; F40-V75 HydrophobicContact CZ-CG2 4.09Å; C51-V75 VanDerWaalsContact SG-CA 3.53Å; A52-V75 HydrophobicContact CB-CG1 4.32Å; H53-V75 HydrophobicContact CB-CG1 4.11Å; G65-V75 WeakPolarHBondContact CA-O 3.48Å; Y66-V75 PolarHBondContact N-O 3.27Å; Y66-V75 PolarHBondContact O-N 3.39Å; V75-C79 HydrophobicContact CB-CB 4.36Å; V75-H80 HydrophobicContact CG2-CB 3.78Å; V75-V83 HydrophobicContact CG1-CG2 4.02Å
76	H	94.3	Very high	92.1	Very high	6 Å²	6	43.8 Å²	43.8	3%	0.028	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	152.5	167.8	-62.7	97.8	0	0	0	110.8	C51 C54 E56 F57 I58 R78 C79 H80	C51-H76 WeakPolarHBondContact CB-CE1 3.31Å; C51-H76 WeakPolarHBondContact CB-ND1 3.39Å; C51-H76 PolarHBondContact SG-N 2.86Å; C51-H76 VanDerWaalsContact SG-N 3.41Å; C51-H76 PolarHBondContact SG-ND1 2.74Å; C51-H76 VanDerWaalsContact SG-ND1 3.42Å; C54-H76 PolarHBondContact SG-CE1 2.99Å; C54-H76 PolarHBondContact SG-ND1 3.38Å; E56-H76 PolarHBondContact O-CE1 2.94Å; F57-H76 PolarHBondContact O-NE2 3.47Å; I58-H76 WeakPolarHBondContact CA-NE2 3.43Å; H76-R78 HydrophobicContact CB-CG 3.82Å; H76-R78 PolarHBondContact O-N 2.79Å; H76-C79 HydrophobicContact CB-CB 4.04Å; H76-C79 PolarHBondContact O-N 2.85Å; H76-H80 PolarHBondContact O-N 3.17Å
77	K	92	Very high	91.9	Very high	58 Å²	58	43.8 Å²	43.8	25%	0.252	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-51.9	-42.1	168.7	-62.5	-169	172.5	178.3	0	111.9	K63 Y66 C79 H80 Q304	K63-K77 WeakPolarHBondContact O-CE 3.4Å; K63-K77 PolarHBondContact O-NZ 2.83Å; Y66-K77 HydrophobicContact CD1-CG 3.83Å; Y66-K77 HydrophobicContact CE1-CB 4.31Å; Y66-K77 HydrophobicContact CE1-CD 3.94Å; Y66-K77 HydrophobicContact CE1-CG 3.57Å; Y66-K77 HydrophobicContact CG-CG 4.49Å; K77-C79 VanDerWaalsContact C-N 3.3Å; K77-C79 PolarHBondContact O-N 3.18Å; K77-H80 PolarHBondContact O-ND1 3.39Å; K77-Q304 PolarHBondContact NZ-O 2.83Å
78	R	90.5	Very high	91.7	Very high	151 Å²	151	44 Å²	44	57%	0.57	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-70.3	-17.9	176.1	64.7	175.5	178.2	-99.8	2.5	115.4	E56 H76	E56-R78 IonicContact OE2-NH2 3.37Å; E56-R78 PolarHBondContact OE2-NH2 3.36Å; H76-R78 HydrophobicContact CB-CG 3.82Å; H76-R78 PolarHBondContact O-N 2.79Å
79	C	94.1	Very high	91.2	Very high	8 Å²	8	45 Å²	45	5%	0.054	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-98.7	-15.2	-173.5	-68.9	0	0	0	0	113.5	H53 V75 H76 K77 Q81 N82	H53-C79 HydrophobicContact CB-CB 4.06Å; V75-C79 HydrophobicContact CB-CB 4.36Å; H76-C79 HydrophobicContact CB-CB 4.04Å; H76-C79 PolarHBondContact O-N 2.85Å; K77-C79 VanDerWaalsContact C-N 3.3Å; K77-C79 PolarHBondContact O-N 3.18Å; C79-Q81 VanDerWaalsContact C-N 3.33Å; C79-Q81 PolarHBondContact O-N 2.97Å; C79-N82 PolarHBondContact O-N 3.37Å
80	H	93.7	Very high	90.9	Very high	11 Å²	11	41 Å²	41	5%	0.051	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-62.4	-36.7	-171.6	80.6	-79.4	0	0	0	113.7	H33 F40 Y66 V75 H76 K77 N82 V83	H33-H80 AromaticContact CG-CD2 3.93Å; H33-H80 AromaticContact CG-NE2 3.53Å; H33-H80 AromaticContact ND1-CE1 3.95Å; H33-H80 AromaticContact ND1-NE2 3.29Å; H33-H80 PolarHBondContact ND1-NE2 2.98Å; F40-H80 HydrophobicContact CD2-CB 4.1Å; F40-H80 HydrophobicContact CE2-CB 4.45Å; F40-H80 HydrophobicContact CG-CB 4.28Å; Y66-H80 HydrophobicContact CD2-CB 3.66Å; Y66-H80 AromaticContact CD2-CD2 3.97Å; Y66-H80 AromaticContact CD2-CG 3.48Å; Y66-H80 VanDerWaalsContact CD2-CG 3.48Å; Y66-H80 AromaticContact CD2-ND1 3.61Å; Y66-H80 HydrophobicContact CE2-CB 4.41Å; Y66-H80 AromaticContact CE2-CE1 3.58Å; Y66-H80 AromaticContact CE2-CG 3.74Å; Y66-H80 AromaticContact CE2-ND1 3.46Å; Y66-H80 WeakPolarHBondContact CE2-ND1 3.35Å; Y66-H80 AromaticContact CE2-NE2 3.93Å; V75-H80 HydrophobicContact CG2-CB 3.78Å; H76-H80 PolarHBondContact O-N 3.17Å; K77-H80 PolarHBondContact O-ND1 3.39Å; H80-N82 PolarHBondContact O-N 3.29Å; H80-V83 WeakPolarHBondContact O-CB 3.04Å; H80-V83 WeakPolarHBondContact O-CG2 3.4Å; H80-V83 PolarHBondContact O-N 3.08Å
81	Q	90.3	Very high	90.2	Very high	125 Å²	125	47 Å²	47	58%	0.584	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-69.5	-21.4	177.3	-67.6	176.8	-16.4	0	0	112.8	C79 V83	C79-Q81 VanDerWaalsContact C-N 3.33Å; C79-Q81 PolarHBondContact O-N 2.97Å; Q81-V83 VanDerWaalsContact C-N 3.31Å
82	N	91.4	Very high	88.7	Confident	73 Å²	73	53.8 Å²	53.8	39%	0.39	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-91.8	7.2	179.4	-60.9	-28.8	0	0	0	112.4	H53 C79 H80 V84 A185	H53-N82 PolarHBondContact CE1-O 2.83Å; H53-N82 PolarHBondContact ND1-O 3.44Å; C79-N82 PolarHBondContact O-N 3.37Å; H80-N82 PolarHBondContact O-N 3.29Å; N82-V84 PolarHBondContact O-N 3.37Å; N82-V84 VanDerWaalsContact O-N 3.16Å; N82-A185 HydrophobicContact CB-CB 3.85Å
83	V	90.5	Very high	86.6	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	27%	0.269	C	S	.	.			trans	-76	101.6	173.7	172.9	0	0	0	0	108.6	V35 N36 F40 V75 H80 Q81 W85	V35-V83 HydrophobicContact CG1-CB 4.48Å; N36-V83 PolarHBondContact ND2-O 2.89Å; F40-V83 HydrophobicContact CE2-CB 4.18Å; F40-V83 HydrophobicContact CE2-CG1 4.25Å; F40-V83 HydrophobicContact CE2-CG2 4.09Å; F40-V83 HydrophobicContact CZ-CB 4.36Å; F40-V83 HydrophobicContact CZ-CG1 4.22Å; F40-V83 HydrophobicContact CZ-CG2 3.92Å; V75-V83 HydrophobicContact CG1-CG2 4.02Å; H80-V83 WeakPolarHBondContact O-CB 3.04Å; H80-V83 WeakPolarHBondContact O-CG2 3.4Å; H80-V83 PolarHBondContact O-N 3.08Å; Q81-V83 VanDerWaalsContact C-N 3.31Å; V83-W85 HydrophobicContact CB-CH2 4.34Å; V83-W85 HydrophobicContact CB-CZ2 4.39Å; V83-W85 HydrophobicContact CB-CZ3 4.49Å; V83-W85 HydrophobicContact CG1-CD2 3.78Å; V83-W85 HydrophobicContact CG1-CE3 4.14Å; V83-W85 HydrophobicContact CG1-CG 4.26Å; V83-W85 HydrophobicContact CG1-CH2 4.05Å; V83-W85 HydrophobicContact CG1-CZ2 3.7Å; V83-W85 HydrophobicContact CG1-CZ3 4.22Å; V83-W85 HydrophobicContact CG2-CH2 3.98Å; V83-W85 HydrophobicContact CG2-CZ2 4.07Å
84	V	86.4	Confident	83.8	Confident	29 Å²	29	63 Å²	63	18%	0.176	30%	0.304	C	S	.	.			trans	-89.5	-10.9	-174.1	-64.1	0	0	0	0	114.1	N82 M184 A185 L188	N82-V84 PolarHBondContact O-N 3.37Å; N82-V84 VanDerWaalsContact O-N 3.16Å; V84-M184 HydrophobicContact CG2-CE 4.14Å; V84-M184 HydrophobicContact CG2-CG 4.18Å; V84-M184 HydrophobicContact CG2-SD 3.75Å; V84-A185 HydrophobicContact CG1-CB 4.01Å; V84-L188 HydrophobicContact CB-CD1 4.16Å; V84-L188 HydrophobicContact CG1-CD1 3.72Å
85	W	87.4	Confident	81.1	Confident	25 Å²	25	67.3 Å²	67.3	10%	0.095	33%	0.327	C	S	.	.	S	Bend	trans	-93.1	148.1	179.5	58.7	87.6	0	0	0	111.4	N36 H38 H53 V83 A174 T176 S181	N36-W85 VanDerWaalsContact CB-O 3.26Å; N36-W85 WeakPolarHBondContact CB-O 3.29Å; H38-W85 AromaticContact CE1-NE1 3.89Å; H38-W85 AromaticContact NE2-CD1 3.46Å; H38-W85 AromaticContact NE2-NE1 3.54Å; H38-W85 PolarHBondContact NE2-O 3.05Å; H53-W85 HydrophobicContact CB-CH2 3.94Å; H53-W85 AromaticContact ND1-CH2 3.82Å; H53-W85 AromaticContact ND1-CZ3 3.78Å; V83-W85 HydrophobicContact CB-CH2 4.34Å; V83-W85 HydrophobicContact CB-CZ2 4.39Å; V83-W85 HydrophobicContact CB-CZ3 4.49Å; V83-W85 HydrophobicContact CG1-CD2 3.78Å; V83-W85 HydrophobicContact CG1-CE3 4.14Å; V83-W85 HydrophobicContact CG1-CG 4.26Å; V83-W85 HydrophobicContact CG1-CH2 4.05Å; V83-W85 HydrophobicContact CG1-CZ2 3.7Å; V83-W85 HydrophobicContact CG1-CZ3 4.22Å; V83-W85 HydrophobicContact CG2-CH2 3.98Å; V83-W85 HydrophobicContact CG2-CZ2 4.07Å; W85-A174 HydrophobicContact CB-CB 4.04Å; W85-A174 HydrophobicContact CG-CB 3.72Å; W85-T176 HydrophobicContact CB-CG2 3.97Å; W85-S181 VanDerWaalsContact CZ3-CB 3.48Å; W85-S181 WeakPolarHBondContact CZ3-OG 3.5Å
86	K	88.3	Confident	78.6	Confident	90 Å²	90	71.2 Å²	71.2	39%	0.391	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-72.1	147.4	175.8	-70.7	-174.8	175.9	-174.2	0	111.9	N36 P88	N36-K86 CarbonylContact O-C 3.57Å; N36-K86 VanDerWaalsContact O-CA 3.3Å; N36-K86 WeakPolarHBondContact O-CA 3.36Å; K86-P88 WeakPolarHBondContact O-CD 3.29Å
87	C	90.6	Very high	75.6	Confident	7 Å²	7	79.3 Å²	79.3	5%	0.047	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-68.8	117.1	175.9	-169.3	0	0	0	0	111.6	N36 A37 H38 G89 F90	N36-C87 PolarHBondContact O-N 3.16Å; A37-C87 HydrophobicContact CB-CB 4.17Å; A37-C87 VanDerWaalsContact O-CB 3.28Å; A37-C87 WeakPolarHBondContact O-CB 3.43Å; H38-C87 HydrophobicContact CB-CB 4.25Å; H38-C87 VanDerWaalsContact NE2-CA 3.28Å; H38-C87 WeakPolarHBondContact NE2-CA 3.4Å; H38-C87 PolarHBondContact NE2-N 3.29Å; C87-G89 PolarHBondContact O-N 3.29Å; C87-F90 HydrophobicContact CB-CB 4.16Å; C87-F90 WeakPolarHBondContact O-CB 3.39Å; C87-F90 PolarHBondContact O-N 3.06Å; C87-F90 VanDerWaalsContact O-N 3.14Å
88	P	89.8	Confident	73	Confident	58 Å²	58	79.9 Å²	79.9	38%	0.377	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-20.4	176	-20.5	34.9	0	0	0	113.1	K86 F90 A174	K86-P88 WeakPolarHBondContact O-CD 3.29Å; P88-F90 VanDerWaalsContact C-N 3.29Å; P88-A174 HydrophobicContact CG-CB 4.3Å
89	G	83.4	Confident	70.5	Confident	22 Å²	22	77 Å²	77	23%	0.227	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-7.1	177.2	0	0	0	0	0	113.9	C87 K91	C87-G89 PolarHBondContact O-N 3.29Å; G89-K91 PolarHBondContact O-N 3.34Å
90	F	81.6	Confident	67.8	Low	83 Å²	83	80.5 Å²	80.5	36%	0.364	43%	0.431	S	S	.	.			trans	-80	117.4	177.7	-172.5	-106.7	0	0	0	110	A37 L70 C87 P88 E92	A37-F90 HydrophobicContact CB-CB 3.72Å; A37-F90 HydrophobicContact CB-CD1 3.76Å; A37-F90 HydrophobicContact CB-CD2 3.95Å; A37-F90 HydrophobicContact CB-CE1 4.3Å; A37-F90 HydrophobicContact CB-CE2 4.5Å; A37-F90 HydrophobicContact CB-CG 3.56Å; L70-F90 HydrophobicContact CD1-CB 4.23Å; L70-F90 HydrophobicContact CD1-CD2 3.99Å; C87-F90 HydrophobicContact CB-CB 4.16Å; C87-F90 WeakPolarHBondContact O-CB 3.39Å; C87-F90 PolarHBondContact O-N 3.06Å; C87-F90 VanDerWaalsContact O-N 3.14Å; P88-F90 VanDerWaalsContact C-N 3.29Å; F90-E92 HydrophobicContact CD1-CG 3.93Å; F90-E92 HydrophobicContact CE1-CB 4.38Å; F90-E92 HydrophobicContact CE1-CG 3.5Å; F90-E92 VanDerWaalsContact CE1-CG 3.5Å
91	K	76.1	Confident	64.8	Low	187 Å²	187	90 Å²	90	81%	0.813	47%	0.466	S	S	*	.			trans	-95.1	109.4	168.2	-62.9	-178.3	-179.6	-179.1	0	107	G89 K93	G89-K91 PolarHBondContact O-N 3.34Å; K91-K93 PolarHBondContact O-N 2.93Å
92	E	61.1	Low	62.1	Low	143 Å²	143	90.7 Å²	90.7	67%	0.668	47%	0.473	S	S	*	.			trans	-58	109.9	167.9	-82.7	175.6	-171.1	0	0	107.6	F90 T94	F90-E92 HydrophobicContact CD1-CG 3.93Å; F90-E92 HydrophobicContact CE1-CB 4.38Å; F90-E92 HydrophobicContact CE1-CG 3.5Å; F90-E92 VanDerWaalsContact CE1-CG 3.5Å; E92-T94 PolarHBondContact O-N 2.9Å
93	K	48.2	Very low	59.3	Low	122 Å²	122	91.3 Å²	91.3	53%	0.53	48%	0.479	S	S	.	.			trans	-63.5	121.3	168.5	-71.3	-170.2	-176.7	-176.6	0	106	K91 D95 E438	K91-K93 PolarHBondContact O-N 2.93Å; K93-D95 PolarHBondContact O-N 3.42Å; K93-E438 IonicContact NZ-OE1 3.03Å; K93-E438 PolarHBondContact NZ-OE1 3.29Å; K93-E438 IonicContact NZ-OE2 3.13Å; K93-E438 PolarHBondContact NZ-OE2 3.41Å
94	T	37.6	Very low	56.4	Low	124 Å²	124	102.2 Å²	102.2	76%	0.761	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-0.2	177.9	-11.8	0	0	0	0	113.6	E92	E92-T94 PolarHBondContact O-N 2.9Å
95	D	39.7	Very low	53.9	Low	92 Å²	92	106.1 Å²	106.1	49%	0.492	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-9.8	-174.8	-62.3	-39.4	0	0	0	114.8	K93 K97 V98 V99	K93-D95 PolarHBondContact O-N 3.42Å; D95-K97 PolarHBondContact O-N 2.84Å; D95-K97 VanDerWaalsContact O-N 3.16Å; D95-V98 WeakPolarHBondContact O-CA 3.28Å; D95-V98 PolarHBondContact O-N 3.05Å; D95-V99 PolarHBondContact O-N 3.14Å
96	A	43.1	Very low	51.5	Low	81 Å²	81	110.8 Å²	110.8	67%	0.669	57%	0.573	S	S	*	*	H	α-helix	trans	-58.2	-30	171.7	0	0	0	0	0	111.8	A100	A96-A100 PolarHBondContact O-N 2.85Å
97	K	32.4	Very low	48.9	Very low	177 Å²	177	114.1 Å²	114.1	77%	0.77	59%	0.587	S	S	*	*	H	α-helix	trans	-73.6	-23.2	171.9	-77.2	-176.4	177.2	175.8	0	113.7	D95 R101	D95-K97 PolarHBondContact O-N 2.84Å; D95-K97 VanDerWaalsContact O-N 3.16Å; K97-R101 PolarHBondContact O-N 2.87Å
98	V	36.5	Very low	46.2	Very low	70 Å²	70	119.4 Å²	119.4	42%	0.424	62%	0.622	S	S	.	*	H	α-helix	trans	-82.9	-39.9	179.1	-177.7	0	0	0	0	110.7	D95 R101 L102	D95-V98 WeakPolarHBondContact O-CA 3.28Å; D95-V98 PolarHBondContact O-N 3.05Å; V98-R101 WeakPolarHBondContact O-CA 3.44Å; V98-R101 WeakPolarHBondContact O-CB 3.43Å; V98-R101 PolarHBondContact O-N 2.71Å; V98-L102 HydrophobicContact CG1-CD1 4.02Å; V98-L102 HydrophobicContact CG1-CG 4.46Å; V98-L102 PolarHBondContact O-N 3.16Å
99	V	37.5	Very low	43.6	Very low	91 Å²	91	124.2 Å²	124.2	55%	0.552	64%	0.639	S	S	*	*	H	α-helix	trans	-66.3	-40.5	176.2	-170.1	0	0	0	0	110.9	D95 R101 L102 V103	D95-V99 PolarHBondContact O-N 3.14Å; V99-R101 PolarHBondContact O-N 3.05Å; V99-R101 VanDerWaalsContact O-N 3.16Å; V99-L102 PolarHBondContact O-N 3.3Å; V99-V103 HydrophobicContact CG1-CG2 4.48Å; V99-V103 WeakPolarHBondContact O-CG2 3.49Å; V99-V103 PolarHBondContact O-N 3.34Å
100	A	38.6	Very low	41.3	Very low	80 Å²	80	128.2 Å²	128.2	66%	0.661	66%	0.661	S	S	*	*	H	α-helix	trans	-60.7	-23.1	171.2	0	0	0	0	0	113.2	A96	A96-A100 PolarHBondContact O-N 2.85Å
101	R	30.2	Very low	38.9	Very low	210 Å²	210	132.5 Å²	132.5	79%	0.792	68%	0.68	S	S	*	*	H	α-helix	trans	-89.8	-30	179	-137.7	177	-161.5	-179.7	4.1	113.6	K97 V98 V99	K97-R101 PolarHBondContact O-N 2.87Å; V98-R101 WeakPolarHBondContact O-CA 3.44Å; V98-R101 WeakPolarHBondContact O-CB 3.43Å; V98-R101 PolarHBondContact O-N 2.71Å; V99-R101 PolarHBondContact O-N 3.05Å; V99-R101 VanDerWaalsContact O-N 3.16Å
102	L	33.4	Very low	36.8	Very low	141 Å²	141	129.5 Å²	129.5	74%	0.738	68%	0.679	S	S	*	*	H	α-helix	trans	-81.3	-22	179.4	-75.6	170.1	0	0	0	113	V98 V99 R104	V98-L102 HydrophobicContact CG1-CD1 4.02Å; V98-L102 HydrophobicContact CG1-CG 4.46Å; V98-L102 PolarHBondContact O-N 3.16Å; V99-L102 PolarHBondContact O-N 3.3Å; L102-R104 PolarHBondContact O-N 3.17Å; L102-R104 VanDerWaalsContact O-N 3.07Å
103	V	32.7	Very low	35.3	Very low	85 Å²	85	128.6 Å²	128.6	52%	0.515	68%	0.683	S	S	.	*			trans	-86.5	62.8	173.2	-170.3	0	0	0	0	109.9	V99 I105	V99-V103 HydrophobicContact CG1-CG2 4.48Å; V99-V103 WeakPolarHBondContact O-CG2 3.49Å; V99-V103 PolarHBondContact O-N 3.34Å; V103-I105 VanDerWaalsContact C-N 3.26Å; V103-I105 HydrophobicContact CG1-CD1 3.48Å; V103-I105 VanDerWaalsContact CG1-CD1 3.48Å; V103-I105 HydrophobicContact CG1-CG1 3.56Å; V103-I105 PolarHBondContact O-N 2.85Å
104	R	30.8	Very low	34.4	Very low	229 Å²	229	129.5 Å²	129.5	86%	0.864	69%	0.693	S	S	*	*			trans	-83.7	78.7	153.5	-78.4	-170.6	177.3	-177.5	-0.6	107.5	L102 P106	L102-R104 PolarHBondContact O-N 3.17Å; L102-R104 VanDerWaalsContact O-N 3.07Å; R104-P106 WeakPolarHBondContact O-CD 3.08Å
105	I	34	Very low	34.1	Very low	112 Å²	112	130.9 Å²	130.9	57%	0.574	69%	0.691	S	S	*	*			trans	-71.8	122.1	167	-64.6	169.7	0	0	0	106.7	V103 F107	V103-I105 VanDerWaalsContact C-N 3.26Å; V103-I105 HydrophobicContact CG1-CD1 3.48Å; V103-I105 VanDerWaalsContact CG1-CD1 3.48Å; V103-I105 HydrophobicContact CG1-CG1 3.56Å; V103-I105 PolarHBondContact O-N 2.85Å; I105-F107 HydrophobicContact CG2-CB 4.24Å; I105-F107 PolarHBondContact O-N 3.48Å
106	P	36.7	Very low	33.6	Very low	122 Å²	122	132.9 Å²	132.9	79%	0.792	70%	0.698	S	S	*	*	S	Bend	trans	-82.1	44.6	-177	34.8	-34.2	0	0	0	112	R104	R104-P106 WeakPolarHBondContact O-CD 3.08Å
107	F	32.5	Very low	33.2	Very low	160 Å²	160	135.8 Å²	135.8	70%	0.702	70%	0.697	S	S	*	*	S	Bend	trans	-122.2	124.4	169.7	-88	-82.3	0	0	0	109.8	I105 Q109	I105-F107 HydrophobicContact CG2-CB 4.24Å; I105-F107 PolarHBondContact O-N 3.48Å; F107-Q109 PolarHBondContact O-N 3.41Å; F107-Q109 VanDerWaalsContact O-N 3.17Å
108	P	34.4	Very low	33.3	Very low	118 Å²	118	133.5 Å²	133.5	77%	0.766	69%	0.693	S	S	*	*			trans	-67.6	114.6	177.3	26.6	-29.7	0	0	0	109.1
109	Q	34.7	Very low	33.3	Very low	159 Å²	159	134.5 Å²	134.5	74%	0.743	70%	0.696	S	S	*	*			trans	-73.1	126.3	170	-71.1	-68.9	-19.2	0	0	108.7	F107 F111	F107-Q109 PolarHBondContact O-N 3.41Å; F107-Q109 VanDerWaalsContact O-N 3.17Å; Q109-F111 PolarHBondContact O-N 3.33Å
110	P	36.5	Very low	33.4	Very low	107 Å²	107	134.8 Å²	134.8	70%	0.695	70%	0.698	S	S	*	*	S	Bend	trans	-70.6	2.2	-172	-19.9	31.8	0	0	0	116.8
111	F	29.7	Very low	33.7	Very low	172 Å²	172	137.1 Å²	137.1	75%	0.754	69%	0.69	S	S	*	*	S	Bend	trans	-139.5	126.1	174.7	-73.2	-81.4	0	0	0	110.4	Q109 V113	Q109-F111 PolarHBondContact O-N 3.33Å; F111-V113 PolarHBondContact O-N 2.99Å
112	P	32	Very low	35	Very low	124 Å²	124	134.7 Å²	134.7	81%	0.805	69%	0.685	S	S	*	*			trans	-64.6	112.5	171.3	21.4	-22.2	0	0	0	107.7	L114	P112-L114 VanDerWaalsContact C-N 3.25Å; P112-L114 PolarHBondContact O-N 3.37Å
113	V	30	Very low	36.3	Very low	124 Å²	124	133.4 Å²	133.4	75%	0.752	68%	0.679	S	S	*	*			trans	-64	96.8	166.1	-179.6	0	0	0	0	105.5	F111 Q115	F111-V113 PolarHBondContact O-N 2.99Å; V113-Q115 PolarHBondContact O-N 2.86Å
114	L	29	Very low	38.2	Very low	141 Å²	141	131.7 Å²	131.7	74%	0.738	67%	0.667	S	S	*	*			trans	-62.9	89.8	167.4	-169.4	78.6	0	0	0	105.8	P112 Q116	P112-L114 VanDerWaalsContact C-N 3.25Å; P112-L114 PolarHBondContact O-N 3.37Å; L114-Q116 HydrophobicContact CD2-CB 4.31Å; L114-Q116 HydrophobicContact CG-CB 4.26Å; L114-Q116 PolarHBondContact O-N 3.22Å
115	Q	32	Very low	40.7	Very low	153 Å²	153	125.5 Å²	125.5	72%	0.715	65%	0.651	S	S	*	*			trans	-74.4	61.3	171.6	-160.3	127.4	29.3	0	0	107.6	V113 E117	V113-Q115 PolarHBondContact O-N 2.86Å; Q115-E117 HydrophobicContact CG-CG 4.09Å; Q115-E117 PolarHBondContact O-N 3.46Å
116	Q	28.7	Very low	43.4	Very low	135 Å²	135	124.5 Å²	124.5	63%	0.631	65%	0.646	S	S	*	*			trans	-72	81.9	159.9	-169.5	169.1	-3	0	0	104.5	L114 L118	L114-Q116 HydrophobicContact CD2-CB 4.31Å; L114-Q116 HydrophobicContact CG-CB 4.26Å; L114-Q116 PolarHBondContact O-N 3.22Å; Q116-L118 PolarHBondContact O-N 3.29Å
117	E	35.8	Very low	46	Very low	141 Å²	141	122.9 Å²	122.9	66%	0.659	64%	0.635	S	S	*	*			trans	-51.9	94.6	157.1	-70	-176.4	165.4	0	0	105.1	Q115 D119	Q115-E117 HydrophobicContact CG-CG 4.09Å; Q115-E117 PolarHBondContact O-N 3.46Å; E117-D119 PolarHBondContact O-N 2.91Å
118	L	34.5	Very low	49	Very low	130 Å²	130	116.6 Å²	116.6	68%	0.681	61%	0.608	S	S	*	*			trans	-66.9	79.4	167.6	-104	146.9	0	0	0	105	Q116 T120	Q116-L118 PolarHBondContact O-N 3.29Å; L118-T120 HydrophobicContact CD2-CG2 3.94Å; L118-T120 PolarHBondContact O-N 3.32Å
119	D	36.7	Very low	52	Low	90 Å²	90	119 Å²	119	48%	0.481	60%	0.602	S	S	.	*			trans	-77	62.9	179	-151.1	31.3	0	0	0	107.7	E117 R121	E117-D119 PolarHBondContact O-N 2.91Å; D119-R121 PolarHBondContact O-N 3.24Å; D119-R121 VanDerWaalsContact OD1-CD 3.29Å; D119-R121 WeakPolarHBondContact OD1-CD 3.41Å; D119-R121 WeakPolarHBondContact OD1-CG 3.36Å; D119-R121 IonicContact OD1-CZ 3.4Å; D119-R121 IonicContact OD1-NE 2.83Å; D119-R121 PolarHBondContact OD1-NE 2.81Å; D119-R121 IonicContact OD1-NH2 3.26Å; D119-R121 PolarHBondContact OD1-NH2 3.21Å; D119-R121 IonicContact OD2-CZ 2.66Å; D119-R121 IonicContact OD2-NE 2.66Å; D119-R121 PolarHBondContact OD2-NE 3.39Å; D119-R121 IonicContact OD2-NH2 2.8Å; D119-R121 PolarHBondContact OD2-NH2 3.43Å
120	T	38.8	Very low	55	Low	97 Å²	97	112.8 Å²	112.8	60%	0.595	57%	0.572	S	S	*	*			trans	-75.1	50.1	169.3	62.6	0	0	0	0	108.3	L118 F122	L118-T120 HydrophobicContact CD2-CG2 3.94Å; L118-T120 PolarHBondContact O-N 3.32Å; T120-F122 PolarHBondContact O-N 2.74Å; T120-F122 VanDerWaalsContact O-N 3.08Å
121	R	44.5	Very low	57.9	Low	129 Å²	129	110.2 Å²	110.2	49%	0.487	56%	0.555	S	S	.	*			trans	-77	92.3	179	-86.2	-166.8	-78.8	-147.2	-31.4	107.9	D119 D123	D119-R121 PolarHBondContact O-N 3.24Å; D119-R121 VanDerWaalsContact OD1-CD 3.29Å; D119-R121 WeakPolarHBondContact OD1-CD 3.41Å; D119-R121 WeakPolarHBondContact OD1-CG 3.36Å; D119-R121 IonicContact OD1-CZ 3.4Å; D119-R121 IonicContact OD1-NE 2.83Å; D119-R121 PolarHBondContact OD1-NE 2.81Å; D119-R121 IonicContact OD1-NH2 3.26Å; D119-R121 PolarHBondContact OD1-NH2 3.21Å; D119-R121 IonicContact OD2-CZ 2.66Å; D119-R121 IonicContact OD2-NE 2.66Å; D119-R121 PolarHBondContact OD2-NE 3.39Å; D119-R121 IonicContact OD2-NH2 2.8Å; D119-R121 PolarHBondContact OD2-NH2 3.43Å; R121-D123 PolarHBondContact O-N 3.03Å
122	F	57.1	Low	61.1	Low	160 Å²	160	105.2 Å²	105.2	70%	0.702	54%	0.541	S	S	*	.			trans	-64.1	84.2	154	-109.3	-86.3	0	0	0	107.6	T120 I124	T120-F122 PolarHBondContact O-N 2.74Å; T120-F122 VanDerWaalsContact O-N 3.08Å; F122-I124 PolarHBondContact O-N 2.83Å
123	D	61.6	Low	64	Low	114 Å²	114	102.3 Å²	102.3	61%	0.61	52%	0.516	S	S	*	.			trans	-87.7	98.9	179.3	-164.7	26.3	0	0	0	110.1	R121 N125	R121-D123 PolarHBondContact O-N 3.03Å; D123-N125 PolarHBondContact O-N 2.75Å
124	I	73.3	Confident	67.1	Low	49 Å²	49	100.4 Å²	100.4	25%	0.251	50%	0.502	S	S	.	.			trans	-84.2	111.8	173.1	-60.3	-169.9	0	0	0	108.4	F122 L126 N175 T176 V179 M184	F122-I124 PolarHBondContact O-N 2.83Å; I124-L126 HydrophobicContact CG2-CD1 4.3Å; I124-L126 HydrophobicContact CG2-CG 4.41Å; I124-N175 VanDerWaalsContact O-O 3.12Å; I124-T176 HydrophobicContact CB-CG2 4.47Å; I124-T176 HydrophobicContact CG2-CG2 4.07Å; I124-V179 HydrophobicContact CD1-CG1 4.3Å; I124-V179 HydrophobicContact CD1-CG2 4.32Å; I124-V179 HydrophobicContact CG2-CG2 4.02Å; I124-M184 HydrophobicContact CD1-CE 3.23Å; I124-M184 HydrophobicContact CD1-SD 3.35Å; I124-M184 WeakPolarHBondContact CD1-SD 3.36Å; I124-M184 HydrophobicContact CG1-CE 4.02Å
125	N	83.3	Confident	70.1	Confident	99 Å²	99	94.7 Å²	94.7	53%	0.529	47%	0.471	S	S	.	.			trans	-126.6	72	176.5	-171.2	16	0	0	0	111	D123 P127 N175	D123-N125 PolarHBondContact O-N 2.75Å; N125-P127 WeakPolarHBondContact O-CD 3.37Å; N125-N175 CarbonylContact C-O 3.55Å; N125-N175 WeakPolarHBondContact CA-O 3.1Å; N125-N175 VanDerWaalsContact OD1-CB 3.25Å; N125-N175 WeakPolarHBondContact OD1-CB 3.42Å; N125-N175 PolarHBondContact OD1-ND2 3.08Å
126	L	90.1	Very high	73	Confident	91 Å²	91	97.6 Å²	97.6	48%	0.476	48%	0.481	S	S	.	.	B	Isolated β-bridge	trans	-107.8	97.5	175.5	-69.6	170.3	0	0	0	109.4	I124 N175 T176 C177 V179	I124-L126 HydrophobicContact CG2-CD1 4.3Å; I124-L126 HydrophobicContact CG2-CG 4.41Å; L126-N175 PolarHBondContact N-O 3.17Å; L126-N175 CarbonylContact O-C 3.36Å; L126-N175 WeakPolarHBondContact O-CA 3.46Å; L126-T176 PolarHBondContact O-N 2.7Å; L126-C177 HydrophobicContact CB-CB 4.29Å; L126-C177 WeakPolarHBondContact O-CB 3.23Å; L126-C177 PolarHBondContact O-N 3.45Å; L126-V179 HydrophobicContact CD1-CG2 4.28Å
127	P	91.9	Very high	76	Confident	87 Å²	87	101 Å²	101	57%	0.565	49%	0.488	S	S	*	.			trans	-68.2	150.2	-175.9	27.8	-34.8	0	0	0	112.5	N125 C177	N125-P127 WeakPolarHBondContact O-CD 3.37Å; P127-C177 WeakPolarHBondContact O-CB 3.47Å
128	H	94.9	Very high	78.6	Confident	29 Å²	29	99.6 Å²	99.6	13%	0.134	49%	0.491	C	S	.	.			trans	-83.8	143.6	175.3	-68.8	-99.5	0	0	0	111.2	F130 C158 C161 L163 A174 C177	H128-F130 HydrophobicContact CB-CD2 3.76Å; H128-F130 HydrophobicContact CB-CE1 4.27Å; H128-F130 HydrophobicContact CB-CE2 3.35Å; H128-F130 HydrophobicContact CB-CG 4.39Å; H128-F130 HydrophobicContact CB-CZ 3.64Å; H128-F130 AromaticContact CG-CE2 3.97Å; H128-F130 AromaticContact CG-CZ 3.86Å; H128-C158 HydrophobicContact CB-CB 4.32Å; H128-C161 PolarHBondContact CE1-SG 2.72Å; H128-C161 PolarHBondContact ND1-SG 3.25Å; H128-L163 VanDerWaalsContact CE1-CD2 3.43Å; H128-L163 WeakPolarHBondContact CE1-CD2 3.28Å; H128-A174 PolarHBondContact CD2-O 3.06Å; H128-A174 PolarHBondContact NE2-O 2.88Å; H128-C177 PolarHBondContact NE2-N 3.45Å
129	R	96.6	Very high	81.3	Confident	167 Å²	167	94.8 Å²	94.8	63%	0.63	47%	0.468	S	S	*	.			trans	-99.7	85.5	170.9	-171.4	174.6	-177.6	-166.8	1.5	110.4	C158 Q159	R129-C158 CarbonylContact O-C 3.58Å; R129-C158 WeakPolarHBondContact O-CA 3.38Å; R129-Q159 VanDerWaalsContact CZ-OE1 3.31Å; R129-Q159 VanDerWaalsContact NE-OE1 3.1Å; R129-Q159 PolarHBondContact O-N 2.89Å
130	F	97.7	Very high	84	Confident	30 Å²	30	93 Å²	93	13%	0.132	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	136.4	-178.3	-74.1	-62.6	0	0	0	112.7	H128 L156 C158 L163 V165 E170 V173	H128-F130 HydrophobicContact CB-CD2 3.76Å; H128-F130 HydrophobicContact CB-CE1 4.27Å; H128-F130 HydrophobicContact CB-CE2 3.35Å; H128-F130 HydrophobicContact CB-CG 4.39Å; H128-F130 HydrophobicContact CB-CZ 3.64Å; H128-F130 AromaticContact CG-CE2 3.97Å; H128-F130 AromaticContact CG-CZ 3.86Å; F130-L156 HydrophobicContact CB-CB 3.99Å; F130-L156 HydrophobicContact CB-CD1 4.12Å; F130-L156 HydrophobicContact CD1-CB 4.02Å; F130-L156 HydrophobicContact CG-CB 4.24Å; F130-C158 HydrophobicContact CD1-CB 4.05Å; F130-C158 HydrophobicContact CE1-CB 3.93Å; F130-L163 HydrophobicContact CE1-CB 4.44Å; F130-L163 HydrophobicContact CE1-CD2 4.21Å; F130-L163 HydrophobicContact CZ-CD2 3.83Å; F130-V165 HydrophobicContact CD1-CG2 3.89Å; F130-V165 HydrophobicContact CE1-CB 4.46Å; F130-V165 HydrophobicContact CE1-CG1 4.19Å; F130-V165 HydrophobicContact CE1-CG2 3.49Å; F130-V165 VanDerWaalsContact CE1-CG2 3.49Å; F130-V165 HydrophobicContact CE2-CG2 4.26Å; F130-V165 HydrophobicContact CG-CG2 4.44Å; F130-V165 HydrophobicContact CZ-CG1 4.14Å; F130-V165 HydrophobicContact CZ-CG2 3.69Å; F130-E170 HydrophobicContact CD2-CG 3.89Å; F130-E170 HydrophobicContact CE2-CG 4.44Å; F130-V173 HydrophobicContact CE2-CB 4.43Å; F130-V173 HydrophobicContact CE2-CG1 4.4Å; F130-V173 HydrophobicContact CE2-CG2 4.48Å; F130-V173 HydrophobicContact CZ-CG1 4.17Å; F130-V173 HydrophobicContact CZ-CG2 4.33Å
131	V	97.1	Very high	86.7	Confident	53 Å²	53	88.3 Å²	88.3	32%	0.321	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	148.4	171.3	-65.5	0	0	0	0	110.7	H133 L156 Q157 Q159	V131-H133 PolarHBondContact O-N 3.41Å; V131-L156 CarbonylContact O-C 3.52Å; V131-L156 VanDerWaalsContact O-CA 3.26Å; V131-L156 WeakPolarHBondContact O-CA 3.27Å; V131-Q157 PolarHBondContact N-O 3.05Å; V131-Q157 PolarHBondContact O-N 3.14Å; V131-Q159 HydrophobicContact CB-CG 4.4Å; V131-Q159 HydrophobicContact CG1-CG 3.89Å; V131-Q159 HydrophobicContact CG2-CG 3.62Å
132	S	97	Very high	89.1	Confident	67 Å²	67	84.2 Å²	84.2	47%	0.469	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	129.2	175.2	-73	0	0	0	0	110.9
133	H	94.3	Very high	90.9	Very high	62 Å²	62	77.1 Å²	77.1	29%	0.287	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	142.9	-173.7	-172.8	-90.8	0	0	0	111.9	V131 Y135 K153 G155 Q157	V131-H133 PolarHBondContact O-N 3.41Å; H133-Y135 HydrophobicContact CB-CE2 3.97Å; H133-Y135 AromaticContact CE1-CD1 3.93Å; H133-Y135 AromaticContact ND1-CD1 3.42Å; H133-Y135 WeakPolarHBondContact ND1-CD1 3.38Å; H133-Y135 AromaticContact ND1-CD2 3.84Å; H133-Y135 AromaticContact ND1-CE1 3.31Å; H133-Y135 VanDerWaalsContact ND1-CE1 3.31Å; H133-Y135 WeakPolarHBondContact ND1-CE1 3.25Å; H133-Y135 AromaticContact ND1-CE2 3.76Å; H133-Y135 AromaticContact ND1-CG 3.7Å; H133-Y135 AromaticContact ND1-CZ 3.52Å; H133-K153 WeakPolarHBondContact O-CA 3.48Å; H133-G155 PolarHBondContact N-O 2.84Å; H133-Q157 HydrophobicContact CB-CB 3.76Å
134	N	93.8	Very high	92.4	Very high	85 Å²	85	72 Å²	72	46%	0.455	36%	0.357	S	S	.	.			trans	-98.9	113.6	175.6	-66.4	-17.2	0	0	0	109.3	I152 K153	N134-I152 WeakPolarHBondContact OD1-CG2 3.16Å; N134-K153 WeakPolarHBondContact OD1-CA 3.4Å; N134-K153 VanDerWaalsContact OD1-CG 3.27Å; N134-K153 WeakPolarHBondContact OD1-CG 3.48Å; N134-K153 PolarHBondContact OD1-N 3.4Å
135	Y	93.5	Very high	93.2	Very high	21 Å²	21	69.7 Å²	69.7	8%	0.082	35%	0.345	C	S	.	.			trans	-91.5	123.4	-178.5	-60.6	-87.6	0	0	0	110.4	H133 R137 T139 L148 Q154 L156 N164	H133-Y135 HydrophobicContact CB-CE2 3.97Å; H133-Y135 AromaticContact CE1-CD1 3.93Å; H133-Y135 AromaticContact ND1-CD1 3.42Å; H133-Y135 WeakPolarHBondContact ND1-CD1 3.38Å; H133-Y135 AromaticContact ND1-CD2 3.84Å; H133-Y135 AromaticContact ND1-CE1 3.31Å; H133-Y135 VanDerWaalsContact ND1-CE1 3.31Å; H133-Y135 WeakPolarHBondContact ND1-CE1 3.25Å; H133-Y135 AromaticContact ND1-CE2 3.76Å; H133-Y135 AromaticContact ND1-CG 3.7Å; H133-Y135 AromaticContact ND1-CZ 3.52Å; Y135-R137 VanDerWaalsContact C-N 3.31Å; Y135-T139 HydrophobicContact CD1-CG2 3.72Å; Y135-T139 WeakPolarHBondContact CD1-OG1 3.23Å; Y135-T139 HydrophobicContact CE1-CG2 3.79Å; Y135-T139 HydrophobicContact CG-CG2 4.46Å; Y135-L148 HydrophobicContact CD2-CD1 4.16Å; Y135-L148 HydrophobicContact CE1-CD1 4.25Å; Y135-L148 HydrophobicContact CE2-CD1 3.62Å; Y135-Q154 HydrophobicContact CD2-CB 4.07Å; Y135-Q154 PolarHBondContact O-NE2 2.83Å; Y135-L156 PolarHBondContact OH-O 2.69Å; Y135-N164 HydrophobicContact CE1-CB 4.08Å; Y135-N164 VanDerWaalsContact CE1-OD1 3.28Å; Y135-N164 WeakPolarHBondContact CE1-OD1 3.32Å; Y135-N164 WeakPolarHBondContact OH-CB 3.3Å; Y135-N164 PolarHBondContact OH-OD1 2.91Å; Y135-N164 VanDerWaalsContact OH-OD1 3.08Å
136	K	91.4	Very high	93.4	Very high	214 Å²	214	66 Å²	66	93%	0.93	33%	0.327	S	S	*	.	S	Bend	trans	-81.9	-8.5	177	-63.6	-174.9	179.7	-178	0	113.5
137	R	91.4	Very high	93.4	Very high	205 Å²	205	63.4 Å²	63.4	77%	0.774	31%	0.313	S	S	*	.	S	Bend	trans	-135.6	152.5	-179.4	-67.9	-175.5	176.4	170.5	-1.3	109.6	Y135 T139	Y135-R137 VanDerWaalsContact C-N 3.31Å; R137-T139 PolarHBondContact O-N 2.79Å; R137-T139 PolarHBondContact O-OG1 3.03Å
138	P	90.5	Very high	93.5	Very high	112 Å²	112	59.7 Å²	59.7	73%	0.727	29%	0.289	S	S	*	.			trans	-50.4	115.9	170.7	-25.8	34.9	0	0	0	110	L147	P138-L147 HydrophobicContact CB-CD1 4.01Å
139	T	92.8	Very high	93.1	Very high	30 Å²	30	65.7 Å²	65.7	18%	0.184	31%	0.311	C	S	.	.			trans	-125.9	134.4	-175.1	-56.2	0	0	0	0	108.3	Y135 R137 L147 L148 N164	Y135-T139 HydrophobicContact CD1-CG2 3.72Å; Y135-T139 WeakPolarHBondContact CD1-OG1 3.23Å; Y135-T139 HydrophobicContact CE1-CG2 3.79Å; Y135-T139 HydrophobicContact CG-CG2 4.46Å; R137-T139 PolarHBondContact O-N 2.79Å; R137-T139 PolarHBondContact O-OG1 3.03Å; T139-L147 WeakPolarHBondContact O-CD1 3.29Å; T139-L148 HydrophobicContact CG2-CD1 3.99Å; T139-L148 VanDerWaalsContact O-CB 3.28Å; T139-L148 WeakPolarHBondContact O-CB 3.49Å; T139-L148 WeakPolarHBondContact O-CG 3.39Å; T139-L148 PolarHBondContact O-N 3.08Å; T139-N164 HydrophobicContact CG2-CB 4.1Å
140	F	93.6	Very high	92.6	Very high	51 Å²	51	60.3 Å²	60.3	22%	0.224	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-96.7	150.3	-179.3	-64.8	-95.6	0	0	0	110.4	P48 F50 D142 G145 L147	P48-F140 HydrophobicContact CB-CE1 4.28Å; P48-F140 HydrophobicContact CB-CZ 4.21Å; P48-F140 WeakPolarHBondContact O-CD1 3.46Å; P48-F140 WeakPolarHBondContact O-CE1 3.49Å; F50-F140 HydrophobicContact CD2-CB 4.02Å; F50-F140 HydrophobicContact CD2-CD2 4.04Å; F50-F140 AromaticContact CD2-CG 3.95Å; F50-F140 HydrophobicContact CD2-CG 3.95Å; F50-F140 AromaticContact CE2-CD2 3.67Å; F50-F140 HydrophobicContact CE2-CD2 3.67Å; F50-F140 HydrophobicContact CE2-CE2 4.02Å; F50-F140 HydrophobicContact CE2-CG 4.05Å; F140-D142 PolarHBondContact O-N 3.33Å; F140-G145 WeakPolarHBondContact CD1-O 3.44Å; F140-L147 HydrophobicContact CD1-CB 4.05Å; F140-L147 HydrophobicContact CD1-CD1 4.08Å; F140-L147 HydrophobicContact CD2-CD1 4.19Å; F140-L147 HydrophobicContact CE1-CB 3.92Å; F140-L147 HydrophobicContact CE1-CD1 3.82Å; F140-L147 HydrophobicContact CE1-CG 4.46Å; F140-L147 HydrophobicContact CE2-CD1 3.94Å; F140-L147 HydrophobicContact CG-CD1 4.25Å; F140-L147 HydrophobicContact CZ-CD1 3.75Å
141	C	94.9	Very high	92	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	34%	0.34	C	S	.	.			trans	-70.2	123.6	173	177.3	0	0	0	0	109.3	H143 G145 S146 L148 N164 H166	C141-H143 PolarHBondContact O-N 3.21Å; C141-H143 VanDerWaalsContact O-N 3.14Å; C141-G145 WeakPolarHBondContact O-CA 3.33Å; C141-G145 PolarHBondContact O-N 3.26Å; C141-S146 VanDerWaalsContact CB-O 3.28Å; C141-S146 WeakPolarHBondContact CB-O 3.47Å; C141-S146 PolarHBondContact N-O 2.62Å; C141-L148 HydrophobicContact CB-CD2 3.87Å; C141-N164 CarbonylContact C-O 3.57Å; C141-N164 WeakPolarHBondContact CA-O 3.46Å; C141-H166 WeakPolarHBondContact CB-CE1 3.47Å; C141-H166 VanDerWaalsContact CB-ND1 3.33Å; C141-H166 WeakPolarHBondContact CB-ND1 3.47Å; C141-H166 PolarHBondContact SG-N 2.9Å; C141-H166 PolarHBondContact SG-ND1 2.79Å; C141-H166 VanDerWaalsContact SG-ND1 3.41Å
142	D	94.3	Very high	91.6	Very high	43 Å²	43	69.5 Å²	69.5	23%	0.23	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-9.7	179.1	-68.4	-60.8	0	0	0	113.3	A52 F140 L163 N164	A52-D142 WeakPolarHBondContact CA-O 3.42Å; A52-D142 VanDerWaalsContact CB-O 3.23Å; A52-D142 WeakPolarHBondContact CB-O 3.28Å; F140-D142 PolarHBondContact O-N 3.33Å; D142-L163 HydrophobicContact CB-CD1 3.36Å; D142-L163 HydrophobicContact CB-CG 3.97Å; D142-N164 PolarHBondContact N-O 3.31Å; D142-N164 PolarHBondContact OD2-N 3.28Å
143	H	94.8	Very high	91.2	Very high	11 Å²	11	71.8 Å²	71.8	5%	0.051	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-65.4	-179.5	177	75.1	0	0	0	112.6	C71 V73 V74 C141 G145 V165 C169 N172 V173	C71-H143 PolarHBondContact O-CE1 2.77Å; C71-H143 PolarHBondContact O-NE2 3.39Å; V73-H143 VanDerWaalsContact CA-O 3.29Å; V73-H143 WeakPolarHBondContact CA-O 2.97Å; V73-H143 WeakPolarHBondContact CG2-O 3.33Å; V74-H143 PolarHBondContact N-O 2.97Å; C141-H143 PolarHBondContact O-N 3.21Å; C141-H143 VanDerWaalsContact O-N 3.14Å; H143-G145 VanDerWaalsContact C-N 3.33Å; H143-V165 HydrophobicContact CB-CG1 4.18Å; H143-C169 HydrophobicContact CB-CB 4.35Å; H143-N172 PolarHBondContact CE1-O 3.45Å; H143-V173 HydrophobicContact CB-CG2 4.09Å
144	C	93	Very high	91.2	Very high	6 Å²	6	70 Å²	70	4%	0.041	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-1.5	179.7	71.5	0	0	0	0	112.9	V74 S146 H166	V74-C144 WeakPolarHBondContact CG2-O 3.14Å; C144-S146 PolarHBondContact O-N 2.8Å; C144-H166 PolarHBondContact SG-CE1 3.27Å; C144-H166 PolarHBondContact SG-ND1 2.68Å
145	G	89.6	Confident	91.3	Very high	0 Å²	0	66 Å²	66	0%	0	33%	0.325	C	S	.	.			trans	68.4	-6.1	178.9	0	0	0	0	0	115.6	T49 F140 C141 H143	T49-G145 WeakPolarHBondContact CA-O 3.26Å; F140-G145 WeakPolarHBondContact CD1-O 3.44Å; C141-G145 WeakPolarHBondContact O-CA 3.33Å; C141-G145 PolarHBondContact O-N 3.26Å; H143-G145 VanDerWaalsContact C-N 3.33Å
146	S	88.3	Confident	91.5	Very high	22 Å²	22	65.6 Å²	65.6	15%	0.154	32%	0.324	C	S	.	.			trans	-81.2	156.2	-177.9	-58.3	0	0	0	0	112.9	Q47 C141 C144 H166	Q47-S146 PolarHBondContact NE2-OG 2.91Å; C141-S146 VanDerWaalsContact CB-O 3.28Å; C141-S146 WeakPolarHBondContact CB-O 3.47Å; C141-S146 PolarHBondContact N-O 2.62Å; C144-S146 PolarHBondContact O-N 2.8Å; S146-H166 PolarHBondContact O-CE1 3.11Å
147	L	91.2	Very high	91.8	Very high	37 Å²	37	57 Å²	57	19%	0.194	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-61.4	139.6	-178	-169.8	70.6	0	0	0	112.7	P138 T139 F140 Y149 H166	P138-L147 HydrophobicContact CB-CD1 4.01Å; T139-L147 WeakPolarHBondContact O-CD1 3.29Å; F140-L147 HydrophobicContact CD1-CB 4.05Å; F140-L147 HydrophobicContact CD1-CD1 4.08Å; F140-L147 HydrophobicContact CD2-CD1 4.19Å; F140-L147 HydrophobicContact CE1-CB 3.92Å; F140-L147 HydrophobicContact CE1-CD1 3.82Å; F140-L147 HydrophobicContact CE1-CG 4.46Å; F140-L147 HydrophobicContact CE2-CD1 3.94Å; F140-L147 HydrophobicContact CG-CD1 4.25Å; F140-L147 HydrophobicContact CZ-CD1 3.75Å; L147-Y149 HydrophobicContact CB-CD2 4.26Å; L147-Y149 HydrophobicContact CB-CE1 4.26Å; L147-Y149 HydrophobicContact CB-CE2 3.8Å; L147-Y149 HydrophobicContact CD2-CD1 3.9Å; L147-Y149 HydrophobicContact CD2-CE1 3.62Å; L147-Y149 HydrophobicContact CG-CE1 4.38Å; L147-Y149 WeakPolarHBondContact O-CD2 3.13Å; L147-Y149 WeakPolarHBondContact O-CE2 3.41Å; L147-Y149 PolarHBondContact O-N 3.35Å; L147-H166 PolarHBondContact O-NE2 2.93Å
148	L	92.1	Very high	92.1	Very high	9 Å²	9	47.3 Å²	47.3	5%	0.047	25%	0.251	C	S	.	.			trans	-80	90.1	169.1	-58.6	176.3	0	0	0	109	Y135 T139 C141 Q154 N164 H166	Y135-L148 HydrophobicContact CD2-CD1 4.16Å; Y135-L148 HydrophobicContact CE1-CD1 4.25Å; Y135-L148 HydrophobicContact CE2-CD1 3.62Å; T139-L148 HydrophobicContact CG2-CD1 3.99Å; T139-L148 VanDerWaalsContact O-CB 3.28Å; T139-L148 WeakPolarHBondContact O-CB 3.49Å; T139-L148 WeakPolarHBondContact O-CG 3.39Å; T139-L148 PolarHBondContact O-N 3.08Å; C141-L148 HydrophobicContact CB-CD2 3.87Å; L148-Q154 HydrophobicContact CB-CB 4.03Å; L148-N164 HydrophobicContact CD1-CB 4.05Å; L148-H166 HydrophobicContact CD2-CB 4.33Å; L148-H166 VanDerWaalsContact CD2-CD2 3.43Å; L148-H166 WeakPolarHBondContact CD2-CD2 3.29Å
149	Y	86.9	Confident	92.4	Very high	155 Å²	155	45.8 Å²	45.8	61%	0.608	23%	0.234	S	C	*	.			trans	-72.6	153.3	-176.9	-65.4	-86.2	0	0	0	113.4	Q47 L147 Q154	Q47-Y149 PolarHBondContact OE1-OH 3.46Å; L147-Y149 HydrophobicContact CB-CD2 4.26Å; L147-Y149 HydrophobicContact CB-CE1 4.26Å; L147-Y149 HydrophobicContact CB-CE2 3.8Å; L147-Y149 HydrophobicContact CD2-CD1 3.9Å; L147-Y149 HydrophobicContact CD2-CE1 3.62Å; L147-Y149 HydrophobicContact CG-CE1 4.38Å; L147-Y149 WeakPolarHBondContact O-CD2 3.13Å; L147-Y149 WeakPolarHBondContact O-CE2 3.41Å; L147-Y149 PolarHBondContact O-N 3.35Å; Y149-Q154 WeakPolarHBondContact O-CB 3.37Å; Y149-Q154 WeakPolarHBondContact O-CG 3.35Å
150	G	86.7	Confident	92.5	Very high	54 Å²	54	49.3 Å²	49.3	56%	0.557	26%	0.256	S	S	*	.	S	Bend	trans	117.8	170.5	174.9	0	0	0	0	0	113.4	Q154	G150-Q154 VanDerWaalsContact C-CG 3.42Å; G150-Q154 WeakPolarHBondContact O-CG 3.26Å; G150-Q154 PolarHBondContact O-NE2 2.86Å; G150-Q154 VanDerWaalsContact O-NE2 3.1Å
151	I	85.8	Confident	92.6	Very high	158 Å²	158	49 Å²	49	81%	0.81	26%	0.259	S	S	*	.	S	Bend	trans	-92.6	-35.5	-178.6	-52.6	174.5	0	0	0	111	Q154	I151-Q154 PolarHBondContact O-NE2 3.49Å
152	I	88.5	Confident	92.6	Very high	117 Å²	117	54.5 Å²	54.5	60%	0.6	28%	0.284	S	S	*	.	S	Bend	trans	-138.4	145.3	-174.9	-56.5	177	0	0	0	108.9	N134 Q154	N134-I152 WeakPolarHBondContact OD1-CG2 3.16Å; I152-Q154 PolarHBondContact O-N 3.43Å
153	K	88.7	Confident	92.6	Very high	116 Å²	116	53.7 Å²	53.7	50%	0.504	28%	0.279	S	S	.	.			trans	47.5	43.9	177.9	-68.8	178.9	-177.7	178.9	0	112.9	H133 N134 G155 K167	H133-K153 WeakPolarHBondContact O-CA 3.48Å; N134-K153 WeakPolarHBondContact OD1-CA 3.4Å; N134-K153 VanDerWaalsContact OD1-CG 3.27Å; N134-K153 WeakPolarHBondContact OD1-CG 3.48Å; N134-K153 PolarHBondContact OD1-N 3.4Å; K153-G155 PolarHBondContact O-N 3.23Å; K153-K167 WeakPolarHBondContact O-CE 3.46Å; K153-K167 PolarHBondContact O-NZ 3.48Å
154	Q	92.9	Very high	92.7	Very high	25 Å²	25	54.3 Å²	54.3	12%	0.117	28%	0.283	C	S	.	.			trans	-62.2	-24.7	-174.4	-57.8	95.9	-37.3	0	0	112.9	Y135 L148 Y149 G150 I151 I152	Y135-Q154 HydrophobicContact CD2-CB 4.07Å; Y135-Q154 PolarHBondContact O-NE2 2.83Å; L148-Q154 HydrophobicContact CB-CB 4.03Å; Y149-Q154 WeakPolarHBondContact O-CB 3.37Å; Y149-Q154 WeakPolarHBondContact O-CG 3.35Å; G150-Q154 VanDerWaalsContact C-CG 3.42Å; G150-Q154 WeakPolarHBondContact O-CG 3.26Å; G150-Q154 PolarHBondContact O-NE2 2.86Å; G150-Q154 VanDerWaalsContact O-NE2 3.1Å; I151-Q154 PolarHBondContact O-NE2 3.49Å; I152-Q154 PolarHBondContact O-N 3.43Å
155	G	95.9	Very high	92.8	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	-163.7	-178.8	0	0	0	0	0	112.7	H133 K153 V165	H133-G155 PolarHBondContact N-O 2.84Å; K153-G155 PolarHBondContact O-N 3.23Å; G155-V165 WeakPolarHBondContact CA-O 3.1Å
156	L	97.6	Very high	93.1	Very high	12 Å²	12	55 Å²	55	6%	0.063	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	143	179.9	-53.8	175.6	0	0	0	109.4	F130 V131 Y135 N164 V165 K167 E170	F130-L156 HydrophobicContact CB-CB 3.99Å; F130-L156 HydrophobicContact CB-CD1 4.12Å; F130-L156 HydrophobicContact CD1-CB 4.02Å; F130-L156 HydrophobicContact CG-CB 4.24Å; V131-L156 CarbonylContact O-C 3.52Å; V131-L156 VanDerWaalsContact O-CA 3.26Å; V131-L156 WeakPolarHBondContact O-CA 3.27Å; Y135-L156 PolarHBondContact OH-O 2.69Å; L156-N164 CarbonylContact O-C 3.55Å; L156-N164 WeakPolarHBondContact O-CA 3.2Å; L156-V165 HydrophobicContact CB-CG2 4.08Å; L156-V165 PolarHBondContact N-O 3.33Å; L156-V165 PolarHBondContact O-N 3.08Å; L156-K167 HydrophobicContact CD2-CG 4.13Å; L156-K167 HydrophobicContact CG-CG 4.09Å; L156-E170 HydrophobicContact CD1-CB 3.85Å; L156-E170 VanDerWaalsContact CD1-CD 3.45Å; L156-E170 HydrophobicContact CD1-CG 3.94Å; L156-E170 VanDerWaalsContact CD1-OE2 3.29Å; L156-E170 WeakPolarHBondContact CD1-OE2 3.46Å
157	Q	97.4	Very high	93.5	Very high	35 Å²	35	59.3 Å²	59.3	16%	0.164	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	133.9	172.2	-177.4	174.7	79.6	0	0	109.7	V131 H133 Q159 L163 N164	V131-Q157 PolarHBondContact N-O 3.05Å; V131-Q157 PolarHBondContact O-N 3.14Å; H133-Q157 HydrophobicContact CB-CB 3.76Å; Q157-Q159 PolarHBondContact O-N 3.45Å; Q157-L163 CarbonylContact C-O 3.57Å; Q157-L163 WeakPolarHBondContact CA-O 3.34Å; Q157-N164 VanDerWaalsContact CG-OD1 3.29Å; Q157-N164 WeakPolarHBondContact CG-OD1 3.37Å; Q157-N164 PolarHBondContact NE2-OD1 3.48Å
158	C	97.7	Very high	93.6	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	125.4	171.7	-179.5	0	0	0	0	109.6	H128 R129 F130 T160 K162 L163	H128-C158 HydrophobicContact CB-CB 4.32Å; R129-C158 CarbonylContact O-C 3.58Å; R129-C158 WeakPolarHBondContact O-CA 3.38Å; F130-C158 HydrophobicContact CD1-CB 4.05Å; F130-C158 HydrophobicContact CE1-CB 3.93Å; C158-T160 PolarHBondContact O-N 3.28Å; C158-K162 WeakPolarHBondContact O-CA 3.46Å; C158-K162 PolarHBondContact O-N 3.28Å; C158-L163 HydrophobicContact CB-CB 4.1Å; C158-L163 PolarHBondContact N-O 3.47Å
159	Q	97.3	Very high	93.7	Very high	80 Å²	80	65.6 Å²	65.6	37%	0.374	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-34.3	-179.9	-67.2	-175.3	-37.1	0	0	112.5	R129 V131 Q157 K162	R129-Q159 VanDerWaalsContact CZ-OE1 3.31Å; R129-Q159 VanDerWaalsContact NE-OE1 3.1Å; R129-Q159 PolarHBondContact O-N 2.89Å; V131-Q159 HydrophobicContact CB-CG 4.4Å; V131-Q159 HydrophobicContact CG1-CG 3.89Å; V131-Q159 HydrophobicContact CG2-CG 3.62Å; Q157-Q159 PolarHBondContact O-N 3.45Å; Q159-K162 PolarHBondContact O-NZ 3.23Å
160	T	95.9	Very high	94.1	Very high	105 Å²	105	62.6 Å²	62.6	64%	0.644	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-62.1	-175.9	-48.1	0	0	0	0	112.1	C158	C158-T160 PolarHBondContact O-N 3.28Å
161	C	94.6	Very high	94.4	Very high	43 Å²	43	68.1 Å²	68.1	29%	0.291	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	1.5	-172.4	68.8	0	0	0	0	114.9	H128 L163	H128-C161 PolarHBondContact CE1-SG 2.72Å; H128-C161 PolarHBondContact ND1-SG 3.25Å; C161-L163 PolarHBondContact O-N 3.1Å; C161-L163 VanDerWaalsContact O-N 3.14Å
162	K	95.4	Very high	94.8	Very high	117 Å²	117	62.1 Å²	62.1	51%	0.509	29%	0.292	S	S	.	.			trans	60.9	17.1	179.6	-48.5	-53.8	-174.9	-167.3	0	115.9	C158 Q159 N164	C158-K162 WeakPolarHBondContact O-CA 3.46Å; C158-K162 PolarHBondContact O-N 3.28Å; Q159-K162 PolarHBondContact O-NZ 3.23Å; K162-N164 PolarHBondContact O-N 3.15Å; K162-N164 PolarHBondContact O-ND2 3.38Å; K162-N164 VanDerWaalsContact O-ND2 3.13Å; K162-N164 PolarHBondContact O-OD1 3.4Å
163	L	94.6	Very high	95	Very high	26 Å²	26	57.2 Å²	57.2	14%	0.136	27%	0.267	C	S	.	.			trans	-59.8	129.7	171.4	-169.5	82.5	0	0	0	110.5	H128 F130 D142 Q157 C158 C161 V165 V173	H128-L163 VanDerWaalsContact CE1-CD2 3.43Å; H128-L163 WeakPolarHBondContact CE1-CD2 3.28Å; F130-L163 HydrophobicContact CE1-CB 4.44Å; F130-L163 HydrophobicContact CE1-CD2 4.21Å; F130-L163 HydrophobicContact CZ-CD2 3.83Å; D142-L163 HydrophobicContact CB-CD1 3.36Å; D142-L163 HydrophobicContact CB-CG 3.97Å; Q157-L163 CarbonylContact C-O 3.57Å; Q157-L163 WeakPolarHBondContact CA-O 3.34Å; C158-L163 HydrophobicContact CB-CB 4.1Å; C158-L163 PolarHBondContact N-O 3.47Å; C161-L163 PolarHBondContact O-N 3.1Å; C161-L163 VanDerWaalsContact O-N 3.14Å; L163-V165 HydrophobicContact CD2-CG1 4.12Å; L163-V165 HydrophobicContact CG-CG1 4.27Å; L163-V173 HydrophobicContact CD2-CG1 3.76Å
164	N	95.9	Very high	95.1	Very high	24 Å²	24	52.2 Å²	52.2	13%	0.128	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	126	-175.5	-51.7	-65.6	0	0	0	110.2	Y135 T139 C141 D142 L148 L156 Q157 K162	Y135-N164 HydrophobicContact CE1-CB 4.08Å; Y135-N164 VanDerWaalsContact CE1-OD1 3.28Å; Y135-N164 WeakPolarHBondContact CE1-OD1 3.32Å; Y135-N164 WeakPolarHBondContact OH-CB 3.3Å; Y135-N164 PolarHBondContact OH-OD1 2.91Å; Y135-N164 VanDerWaalsContact OH-OD1 3.08Å; T139-N164 HydrophobicContact CG2-CB 4.1Å; C141-N164 CarbonylContact C-O 3.57Å; C141-N164 WeakPolarHBondContact CA-O 3.46Å; D142-N164 PolarHBondContact N-O 3.31Å; D142-N164 PolarHBondContact OD2-N 3.28Å; L148-N164 HydrophobicContact CD1-CB 4.05Å; L156-N164 CarbonylContact O-C 3.55Å; L156-N164 WeakPolarHBondContact O-CA 3.2Å; Q157-N164 VanDerWaalsContact CG-OD1 3.29Å; Q157-N164 WeakPolarHBondContact CG-OD1 3.37Å; Q157-N164 PolarHBondContact NE2-OD1 3.48Å; K162-N164 PolarHBondContact O-N 3.15Å; K162-N164 PolarHBondContact O-ND2 3.38Å; K162-N164 VanDerWaalsContact O-ND2 3.13Å; K162-N164 PolarHBondContact O-OD1 3.4Å
165	V	96.7	Very high	95	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	157.2	-176.8	-59.6	0	0	0	0	112.6	F130 H143 G155 L156 L163 C169 V173	F130-V165 HydrophobicContact CD1-CG2 3.89Å; F130-V165 HydrophobicContact CE1-CB 4.46Å; F130-V165 HydrophobicContact CE1-CG1 4.19Å; F130-V165 HydrophobicContact CE1-CG2 3.49Å; F130-V165 VanDerWaalsContact CE1-CG2 3.49Å; F130-V165 HydrophobicContact CE2-CG2 4.26Å; F130-V165 HydrophobicContact CG-CG2 4.44Å; F130-V165 HydrophobicContact CZ-CG1 4.14Å; F130-V165 HydrophobicContact CZ-CG2 3.69Å; H143-V165 HydrophobicContact CB-CG1 4.18Å; G155-V165 WeakPolarHBondContact CA-O 3.1Å; L156-V165 HydrophobicContact CB-CG2 4.08Å; L156-V165 PolarHBondContact N-O 3.33Å; L156-V165 PolarHBondContact O-N 3.08Å; L163-V165 HydrophobicContact CD2-CG1 4.12Å; L163-V165 HydrophobicContact CG-CG1 4.27Å; V165-C169 HydrophobicContact CB-CB 4.31Å; V165-V173 HydrophobicContact CB-CG2 4.39Å; V165-V173 HydrophobicContact CG1-CG2 3.82Å; V165-V173 HydrophobicContact CG2-CG2 4.48Å
166	H	96	Very high	94.7	Very high	19 Å²	19	55.4 Å²	55.4	9%	0.088	27%	0.266	C	S	.	.			trans	-66.3	151.9	167.6	-59.8	102.3	0	0	0	110	C141 C144 S146 L147 L148 R168 C169 E170	C141-H166 WeakPolarHBondContact CB-CE1 3.47Å; C141-H166 VanDerWaalsContact CB-ND1 3.33Å; C141-H166 WeakPolarHBondContact CB-ND1 3.47Å; C141-H166 PolarHBondContact SG-N 2.9Å; C141-H166 PolarHBondContact SG-ND1 2.79Å; C141-H166 VanDerWaalsContact SG-ND1 3.41Å; C144-H166 PolarHBondContact SG-CE1 3.27Å; C144-H166 PolarHBondContact SG-ND1 2.68Å; S146-H166 PolarHBondContact O-CE1 3.11Å; L147-H166 PolarHBondContact O-NE2 2.93Å; L148-H166 HydrophobicContact CD2-CB 4.33Å; L148-H166 VanDerWaalsContact CD2-CD2 3.43Å; L148-H166 WeakPolarHBondContact CD2-CD2 3.29Å; H166-R168 HydrophobicContact CB-CG 3.78Å; H166-R168 PolarHBondContact O-N 3.29Å; H166-C169 HydrophobicContact CB-CB 4.17Å; H166-C169 WeakPolarHBondContact O-CB 3.33Å; H166-C169 PolarHBondContact O-N 3.35Å; H166-E170 PolarHBondContact O-N 3.35Å
167	K	95.3	Very high	94.5	Very high	113 Å²	113	55.6 Å²	55.6	49%	0.491	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-52.8	-41.8	170.3	-61.2	177.3	-175.3	170.9	0	112	K153 L156 C169 E170	K153-K167 WeakPolarHBondContact O-CE 3.46Å; K153-K167 PolarHBondContact O-NZ 3.48Å; L156-K167 HydrophobicContact CD2-CG 4.13Å; L156-K167 HydrophobicContact CG-CG 4.09Å; K167-C169 VanDerWaalsContact C-N 3.26Å; K167-C169 PolarHBondContact O-N 3.38Å; K167-E170 WeakPolarHBondContact O-CB 3.39Å; K167-E170 PolarHBondContact O-N 3.31Å
168	R	93.5	Very high	94.2	Very high	176 Å²	176	56.9 Å²	56.9	66%	0.664	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-66.7	-23.3	176.4	68.4	178.2	178	-176.6	-0.1	114.5	H166	H166-R168 HydrophobicContact CB-CG 3.78Å; H166-R168 PolarHBondContact O-N 3.29Å
169	C	95	Very high	93.8	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.014	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-87	-22.6	-176.6	-68.9	0	0	0	0	112.2	H143 V165 H166 K167 K171 N172 V173	H143-C169 HydrophobicContact CB-CB 4.35Å; V165-C169 HydrophobicContact CB-CB 4.31Å; H166-C169 HydrophobicContact CB-CB 4.17Å; H166-C169 WeakPolarHBondContact O-CB 3.33Å; H166-C169 PolarHBondContact O-N 3.35Å; K167-C169 VanDerWaalsContact C-N 3.26Å; K167-C169 PolarHBondContact O-N 3.38Å; C169-K171 VanDerWaalsContact C-N 3.33Å; C169-K171 PolarHBondContact O-N 3.23Å; C169-N172 WeakPolarHBondContact O-CA 3.1Å; C169-N172 WeakPolarHBondContact O-CB 3.4Å; C169-N172 PolarHBondContact O-N 3.13Å; C169-V173 WeakPolarHBondContact O-CG2 3.38Å; C169-V173 PolarHBondContact O-N 2.81Å
170	E	95.4	Very high	93.3	Very high	92 Å²	92	57.8 Å²	57.8	43%	0.43	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-42.6	-53.7	-175.1	-175.6	175.3	-159.9	0	0	113.6	F130 L156 H166 K167 N172 V173	F130-E170 HydrophobicContact CD2-CG 3.89Å; F130-E170 HydrophobicContact CE2-CG 4.44Å; L156-E170 HydrophobicContact CD1-CB 3.85Å; L156-E170 VanDerWaalsContact CD1-CD 3.45Å; L156-E170 HydrophobicContact CD1-CG 3.94Å; L156-E170 VanDerWaalsContact CD1-OE2 3.29Å; L156-E170 WeakPolarHBondContact CD1-OE2 3.46Å; H166-E170 PolarHBondContact O-N 3.35Å; K167-E170 WeakPolarHBondContact O-CB 3.39Å; K167-E170 PolarHBondContact O-N 3.31Å; E170-N172 PolarHBondContact O-N 3.14Å; E170-N172 VanDerWaalsContact O-N 3.16Å; E170-V173 PolarHBondContact O-N 3.02Å
171	K	92.7	Very high	92.8	Very high	170 Å²	170	53.3 Å²	53.3	74%	0.739	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-64.8	-17.5	-178.9	66	176.9	-176.6	179.8	0	115.3	C169	C169-K171 VanDerWaalsContact C-N 3.33Å; C169-K171 PolarHBondContact O-N 3.23Å
172	N	94	Very high	92.5	Very high	32 Å²	32	55 Å²	55	17%	0.171	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-104	-3	-175.1	-73.9	-12.5	0	0	0	112.7	C71 H143 C169 E170	C71-N172 HydrophobicContact CB-CB 4.05Å; C71-N172 WeakPolarHBondContact O-CB 3.46Å; C71-N172 PolarHBondContact O-ND2 3.16Å; H143-N172 PolarHBondContact CE1-O 3.45Å; C169-N172 WeakPolarHBondContact O-CA 3.1Å; C169-N172 WeakPolarHBondContact O-CB 3.4Å; C169-N172 PolarHBondContact O-N 3.13Å; E170-N172 PolarHBondContact O-N 3.14Å; E170-N172 VanDerWaalsContact O-N 3.16Å
173	V	93	Very high	92.1	Very high	14 Å²	14	57.8 Å²	57.8	9%	0.085	28%	0.283	C	S	.	.	S	Bend	trans	-77.2	137.6	178.5	178.1	0	0	0	0	109.6	F130 H143 L163 V165 C169 E170	F130-V173 HydrophobicContact CE2-CB 4.43Å; F130-V173 HydrophobicContact CE2-CG1 4.4Å; F130-V173 HydrophobicContact CE2-CG2 4.48Å; F130-V173 HydrophobicContact CZ-CG1 4.17Å; F130-V173 HydrophobicContact CZ-CG2 4.33Å; H143-V173 HydrophobicContact CB-CG2 4.09Å; L163-V173 HydrophobicContact CD2-CG1 3.76Å; V165-V173 HydrophobicContact CB-CG2 4.39Å; V165-V173 HydrophobicContact CG1-CG2 3.82Å; V165-V173 HydrophobicContact CG2-CG2 4.48Å; C169-V173 WeakPolarHBondContact O-CG2 3.38Å; C169-V173 PolarHBondContact O-N 2.81Å; E170-V173 PolarHBondContact O-N 3.02Å
174	A	90.7	Very high	91.6	Very high	11 Å²	11	58.1 Å²	58.1	9%	0.091	28%	0.284	C	S	.	.			trans	-70.5	142.1	177.4	0	0	0	0	0	112.1	W85 P88 H128 T176	W85-A174 HydrophobicContact CB-CB 4.04Å; W85-A174 HydrophobicContact CG-CB 3.72Å; P88-A174 HydrophobicContact CG-CB 4.3Å; H128-A174 PolarHBondContact CD2-O 3.06Å; H128-A174 PolarHBondContact NE2-O 2.88Å; A174-T176 HydrophobicContact CB-CG2 4.39Å; A174-T176 PolarHBondContact O-N 3.34Å
175	N	91	Very high	91.1	Very high	70 Å²	70	57.4 Å²	57.4	37%	0.374	28%	0.282	S	S	.	.	S	Bend	trans	-75.7	69.5	176.9	-71.8	-16.4	0	0	0	111.5	I124 N125 L126	I124-N175 VanDerWaalsContact O-O 3.12Å; N125-N175 CarbonylContact C-O 3.55Å; N125-N175 WeakPolarHBondContact CA-O 3.1Å; N125-N175 VanDerWaalsContact OD1-CB 3.25Å; N125-N175 WeakPolarHBondContact OD1-CB 3.42Å; N125-N175 PolarHBondContact OD1-ND2 3.08Å; L126-N175 PolarHBondContact N-O 3.17Å; L126-N175 CarbonylContact O-C 3.36Å; L126-N175 WeakPolarHBondContact O-CA 3.46Å
176	T	90	Very high	90.6	Very high	22 Å²	22	61.8 Å²	61.8	14%	0.135	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-126.2	36.2	-179.1	54.3	0	0	0	0	111.7	W85 I124 L126 A174 G178 V179	W85-T176 HydrophobicContact CB-CG2 3.97Å; I124-T176 HydrophobicContact CB-CG2 4.47Å; I124-T176 HydrophobicContact CG2-CG2 4.07Å; L126-T176 PolarHBondContact O-N 2.7Å; A174-T176 HydrophobicContact CB-CG2 4.39Å; A174-T176 PolarHBondContact O-N 3.34Å; T176-G178 PolarHBondContact O-N 2.89Å; T176-V179 WeakPolarHBondContact O-CB 3.25Å; T176-V179 PolarHBondContact O-N 2.98Å
177	C	93.1	Very high	90.1	Very high	16 Å²	16	64.5 Å²	64.5	11%	0.108	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	124	-174.3	-177.7	0	0	0	0	112	L126 P127 H128 V179	L126-C177 HydrophobicContact CB-CB 4.29Å; L126-C177 WeakPolarHBondContact O-CB 3.23Å; L126-C177 PolarHBondContact O-N 3.45Å; P127-C177 WeakPolarHBondContact O-CB 3.47Å; H128-C177 PolarHBondContact NE2-N 3.45Å; C177-V179 VanDerWaalsContact C-N 3.31Å
178	G	91	Very high	89.6	Confident	63 Å²	63	60 Å²	60	65%	0.649	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.3	-3.8	179.3	0	0	0	0	0	115	T176	T176-G178 PolarHBondContact O-N 2.89Å
179	V	88.5	Confident	89	Confident	31 Å²	31	56 Å²	56	19%	0.188	30%	0.3	C	S	.	.			trans	-86.8	136.1	-179.2	-177	0	0	0	0	110.9	I124 L126 T176 C177 S181 M184	I124-V179 HydrophobicContact CD1-CG1 4.3Å; I124-V179 HydrophobicContact CD1-CG2 4.32Å; I124-V179 HydrophobicContact CG2-CG2 4.02Å; L126-V179 HydrophobicContact CD1-CG2 4.28Å; T176-V179 WeakPolarHBondContact O-CB 3.25Å; T176-V179 PolarHBondContact O-N 2.98Å; C177-V179 VanDerWaalsContact C-N 3.31Å; V179-S181 PolarHBondContact O-N 2.96Å; V179-M184 HydrophobicContact CG1-CB 4.38Å; V179-M184 HydrophobicContact CG1-SD 3.8Å
180	N	87.6	Confident	88.4	Confident	67 Å²	67	63.6 Å²	63.6	36%	0.358	34%	0.335	S	S	.	.			trans	-87.5	97.3	169.1	-174	-32.2	0	0	0	109.5	K182 R183 M184	N180-K182 VanDerWaalsContact C-N 3.29Å; N180-K182 PolarHBondContact O-N 2.95Å; N180-K182 PolarHBondContact OD1-N 3.32Å; N180-R183 HydrophobicContact CB-CB 4.2Å; N180-R183 HydrophobicContact CB-CG 4.47Å; N180-R183 PolarHBondContact O-N 2.9Å; N180-R183 PolarHBondContact OD1-N 3.39Å; N180-M184 WeakPolarHBondContact O-CB 3.45Å; N180-M184 PolarHBondContact O-N 3.02Å
181	S	85.7	Confident	87.6	Confident	12 Å²	12	64.5 Å²	64.5	8%	0.084	34%	0.342	C	S	.	.	H	α-helix	trans	-49.3	-43	179.7	-64.9	0	0	0	0	114.7	H53 W85 V179 A185	H53-S181 PolarHBondContact CE1-O 3.22Å; W85-S181 VanDerWaalsContact CZ3-CB 3.48Å; W85-S181 WeakPolarHBondContact CZ3-OG 3.5Å; V179-S181 PolarHBondContact O-N 2.96Å; S181-A185 PolarHBondContact O-N 3.3Å; S181-A185 VanDerWaalsContact O-N 3.15Å
182	K	86.8	Confident	86.7	Confident	79 Å²	79	59.5 Å²	59.5	34%	0.343	34%	0.339	S	S	.	.	H	α-helix	trans	-67.7	-52	-178.4	-176.2	179.3	179	179	0	111.3	C54 E56 N180 M184 A185 E186	C54-K182 HydrophobicContact CB-CD 4.18Å; E56-K182 IonicContact OE1-NZ 3.72Å; N180-K182 VanDerWaalsContact C-N 3.29Å; N180-K182 PolarHBondContact O-N 2.95Å; N180-K182 PolarHBondContact OD1-N 3.32Å; K182-M184 VanDerWaalsContact C-N 3.28Å; K182-M184 PolarHBondContact O-N 3.45Å; K182-A185 PolarHBondContact O-N 2.9Å; K182-E186 WeakPolarHBondContact CE-OE1 3.35Å; K182-E186 WeakPolarHBondContact O-CG 3.11Å; K182-E186 PolarHBondContact O-N 3.32Å; K182-E186 VanDerWaalsContact O-N 3.09Å
183	R	87.4	Confident	85.4	Confident	174 Å²	174	61 Å²	61	66%	0.657	35%	0.346	S	S	*	.	H	α-helix	trans	-62	-37.3	178.1	-72.1	-172.1	-179.6	-177	-0.4	112.2	N180 E186 V187	N180-R183 HydrophobicContact CB-CB 4.2Å; N180-R183 HydrophobicContact CB-CG 4.47Å; N180-R183 PolarHBondContact O-N 2.9Å; N180-R183 PolarHBondContact OD1-N 3.39Å; R183-E186 PolarHBondContact O-N 2.93Å; R183-V187 WeakPolarHBondContact O-CG2 3.43Å; R183-V187 PolarHBondContact O-N 2.86Å
184	M	85	Confident	83.6	Confident	34 Å²	34	62.7 Å²	62.7	17%	0.167	36%	0.359	C	S	.	.	H	α-helix	trans	-62.9	-43.7	177.4	-176.3	178.7	173.2	0	0	111.7	V84 I124 V179 N180 K182 E186 V187 L188	V84-M184 HydrophobicContact CG2-CE 4.14Å; V84-M184 HydrophobicContact CG2-CG 4.18Å; V84-M184 HydrophobicContact CG2-SD 3.75Å; I124-M184 HydrophobicContact CD1-CE 3.23Å; I124-M184 HydrophobicContact CD1-SD 3.35Å; I124-M184 WeakPolarHBondContact CD1-SD 3.36Å; I124-M184 HydrophobicContact CG1-CE 4.02Å; V179-M184 HydrophobicContact CG1-CB 4.38Å; V179-M184 HydrophobicContact CG1-SD 3.8Å; N180-M184 WeakPolarHBondContact O-CB 3.45Å; N180-M184 PolarHBondContact O-N 3.02Å; K182-M184 VanDerWaalsContact C-N 3.28Å; K182-M184 PolarHBondContact O-N 3.45Å; M184-E186 VanDerWaalsContact C-N 3.33Å; M184-E186 PolarHBondContact O-N 3.43Å; M184-V187 PolarHBondContact O-N 2.79Å; M184-L188 HydrophobicContact CE-CD1 3.92Å; M184-L188 HydrophobicContact CG-CD1 4.16Å; M184-L188 WeakPolarHBondContact O-CB 3.45Å; M184-L188 WeakPolarHBondContact O-CG 3.28Å; M184-L188 PolarHBondContact O-N 2.79Å
185	A	85.1	Confident	81.6	Confident	9 Å²	9	63.6 Å²	63.6	7%	0.074	37%	0.369	C	S	.	.	H	α-helix	trans	-63.3	-39	175.7	0	0	0	0	0	112.3	N82 V84 S181 K182 L188 S189	N82-A185 HydrophobicContact CB-CB 3.85Å; V84-A185 HydrophobicContact CG1-CB 4.01Å; S181-A185 PolarHBondContact O-N 3.3Å; S181-A185 VanDerWaalsContact O-N 3.15Å; K182-A185 PolarHBondContact O-N 2.9Å; A185-L188 PolarHBondContact O-N 3.09Å; A185-S189 WeakPolarHBondContact O-CB 3.5Å; A185-S189 PolarHBondContact O-N 3.15Å
186	E	86.6	Confident	79.6	Confident	92 Å²	92	66.1 Å²	66.1	43%	0.43	37%	0.374	S	S	.	.	H	α-helix	trans	-61.3	-46.1	175.4	-69.5	163.8	-178.8	0	0	111.6	K182 R183 M184 S189 Q190	K182-E186 WeakPolarHBondContact CE-OE1 3.35Å; K182-E186 WeakPolarHBondContact O-CG 3.11Å; K182-E186 PolarHBondContact O-N 3.32Å; K182-E186 VanDerWaalsContact O-N 3.09Å; R183-E186 PolarHBondContact O-N 2.93Å; M184-E186 VanDerWaalsContact C-N 3.33Å; M184-E186 PolarHBondContact O-N 3.43Å; E186-S189 PolarHBondContact O-N 3.07Å; E186-Q190 WeakPolarHBondContact O-CG 3.27Å; E186-Q190 PolarHBondContact O-N 3.36Å
187	V	85.6	Confident	77.2	Confident	76 Å²	76	71.2 Å²	71.2	46%	0.461	41%	0.411	S	S	.	.	H	α-helix	trans	-65.5	-44.4	177.9	173.5	0	0	0	0	111.4	R183 M184 S189 Q190 L191	R183-V187 WeakPolarHBondContact O-CG2 3.43Å; R183-V187 PolarHBondContact O-N 2.86Å; M184-V187 PolarHBondContact O-N 2.79Å; V187-S189 VanDerWaalsContact C-N 3.3Å; V187-S189 PolarHBondContact O-N 3.15Å; V187-Q190 WeakPolarHBondContact O-CB 3.3Å; V187-Q190 PolarHBondContact O-N 3.37Å; V187-Q190 VanDerWaalsContact O-N 3.16Å; V187-L191 HydrophobicContact CG1-CD1 4.21Å; V187-L191 WeakPolarHBondContact O-CG 3.28Å; V187-L191 PolarHBondContact O-N 3.14Å; V187-L191 VanDerWaalsContact O-N 3.08Å
188	L	83	Confident	74.5	Confident	18 Å²	18	73.6 Å²	73.6	9%	0.094	43%	0.428	C	S	.	.	H	α-helix	trans	-61.9	-39.9	177.4	-78	176.8	0	0	0	112.1	V84 M184 A185 Q190 L191 G192 I193	V84-L188 HydrophobicContact CB-CD1 4.16Å; V84-L188 HydrophobicContact CG1-CD1 3.72Å; M184-L188 HydrophobicContact CE-CD1 3.92Å; M184-L188 HydrophobicContact CG-CD1 4.16Å; M184-L188 WeakPolarHBondContact O-CB 3.45Å; M184-L188 WeakPolarHBondContact O-CG 3.28Å; M184-L188 PolarHBondContact O-N 2.79Å; A185-L188 PolarHBondContact O-N 3.09Å; L188-Q190 VanDerWaalsContact C-N 3.34Å; L188-Q190 PolarHBondContact O-N 2.72Å; L188-L191 PolarHBondContact O-N 3.45Å; L188-G192 PolarHBondContact O-N 2.68Å; L188-I193 CarbonylContact C-O 3.54Å; L188-I193 WeakPolarHBondContact CB-O 3.11Å; L188-I193 HydrophobicContact CD2-CB 4.12Å; L188-I193 HydrophobicContact CD2-CG2 4.1Å; L188-I193 CarbonylContact O-C 3.51Å; L188-I193 PolarHBondContact O-N 3.1Å
189	S	81.7	Confident	71.8	Confident	92 Å²	92	79.7 Å²	79.7	64%	0.643	44%	0.442	S	S	*	.	H	α-helix	trans	-62.3	-39.3	173.9	-176.2	0	0	0	0	112.3	A185 E186 V187 L191 G192	A185-S189 WeakPolarHBondContact O-CB 3.5Å; A185-S189 PolarHBondContact O-N 3.15Å; E186-S189 PolarHBondContact O-N 3.07Å; V187-S189 VanDerWaalsContact C-N 3.3Å; V187-S189 PolarHBondContact O-N 3.15Å; S189-L191 VanDerWaalsContact C-N 3.29Å; S189-L191 PolarHBondContact O-N 3.49Å; S189-G192 PolarHBondContact O-N 3.03Å
190	Q	81.9	Confident	69	Low	162 Å²	162	85.5 Å²	85.5	76%	0.757	47%	0.472	S	S	*	.	H	α-helix	trans	-65	-32.4	174.8	-71	171.1	13.9	0	0	112.7	E186 V187 L188 G192	E186-Q190 WeakPolarHBondContact O-CG 3.27Å; E186-Q190 PolarHBondContact O-N 3.36Å; V187-Q190 WeakPolarHBondContact O-CB 3.3Å; V187-Q190 PolarHBondContact O-N 3.37Å; V187-Q190 VanDerWaalsContact O-N 3.16Å; L188-Q190 VanDerWaalsContact C-N 3.34Å; L188-Q190 PolarHBondContact O-N 2.72Å; Q190-G192 PolarHBondContact O-N 2.64Å
191	L	79.3	Confident	66.4	Low	111 Å²	111	87.8 Å²	87.8	58%	0.581	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-3.8	176.9	-65.3	172.8	0	0	0	113.1	V187 L188 S189 I193	V187-L191 HydrophobicContact CG1-CD1 4.21Å; V187-L191 WeakPolarHBondContact O-CG 3.28Å; V187-L191 PolarHBondContact O-N 3.14Å; V187-L191 VanDerWaalsContact O-N 3.08Å; L188-L191 PolarHBondContact O-N 3.45Å; S189-L191 VanDerWaalsContact C-N 3.29Å; S189-L191 PolarHBondContact O-N 3.49Å; L191-I193 HydrophobicContact CB-CB 4.46Å; L191-I193 HydrophobicContact CB-CD1 4.05Å; L191-I193 HydrophobicContact CB-CG1 4Å; L191-I193 HydrophobicContact CD1-CD1 4.34Å; L191-I193 PolarHBondContact O-N 3.27Å
192	G	73.1	Confident	63.6	Low	65 Å²	65	96.3 Å²	96.3	67%	0.67	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	12.7	-171.2	0	0	0	0	0	113.4	L188 S189 Q190 S194	L188-G192 PolarHBondContact O-N 2.68Å; S189-G192 PolarHBondContact O-N 3.03Å; Q190-G192 PolarHBondContact O-N 2.64Å; G192-S194 PolarHBondContact O-N 2.98Å
193	I	67.9	Low	60.9	Low	62 Å²	62	101.3 Å²	101.3	32%	0.318	55%	0.553	S	S	.	*			trans	-93.5	87.9	176.1	-56.8	173.5	0	0	0	106.4	L188 L191 G195	L188-I193 CarbonylContact C-O 3.54Å; L188-I193 WeakPolarHBondContact CB-O 3.11Å; L188-I193 HydrophobicContact CD2-CB 4.12Å; L188-I193 HydrophobicContact CD2-CG2 4.1Å; L188-I193 CarbonylContact O-C 3.51Å; L188-I193 PolarHBondContact O-N 3.1Å; L191-I193 HydrophobicContact CB-CB 4.46Å; L191-I193 HydrophobicContact CB-CD1 4.05Å; L191-I193 HydrophobicContact CB-CG1 4Å; L191-I193 HydrophobicContact CD1-CD1 4.34Å; L191-I193 PolarHBondContact O-N 3.27Å; I193-G195 PolarHBondContact O-N 3.47Å
194	S	55.2	Low	58.1	Low	50 Å²	50	98.6 Å²	98.6	35%	0.35	56%	0.56	S	S	.	*			trans	-67.3	129.6	166.1	43.9	0	0	0	0	109.9	G192 Y196	G192-S194 PolarHBondContact O-N 2.98Å; S194-Y196 PolarHBondContact O-N 3.46Å; S194-Y196 PolarHBondContact OG-O 3.13Å
195	G	48.8	Very low	55.4	Low	30 Å²	30	103.1 Å²	103.1	31%	0.309	59%	0.59	S	S	.	*	S	Bend	trans	-67.7	25.2	167	0	0	0	0	0	113.6	N36 I193	N36-G195 PolarHBondContact ND2-O 2.97Å; N36-G195 PolarHBondContact OD1-O 3.43Å; I193-G195 PolarHBondContact O-N 3.47Å
196	Y	49.1	Very low	52.6	Low	123 Å²	123	113.7 Å²	113.7	48%	0.482	63%	0.628	S	S	.	*	S	Bend	trans	-132.8	132.9	179.2	61.5	-101.2	0	0	0	109.7	S194 S198	S194-Y196 PolarHBondContact O-N 3.46Å; S194-Y196 PolarHBondContact OG-O 3.13Å; Y196-S198 WeakPolarHBondContact CD2-OG 3.29Å; Y196-S198 WeakPolarHBondContact CE2-OG 3.29Å; Y196-S198 PolarHBondContact O-N 3.47Å
197	S	37.9	Very low	49.9	Very low	129 Å²	129	114.4 Å²	114.4	90%	0.902	64%	0.643	S	S	*	*			trans	-80	82.9	165.8	-54.9	0	0	0	0	108.3	M199	S197-M199 PolarHBondContact O-N 3.45Å
198	S	37.5	Very low	47.1	Very low	67 Å²	67	118.3 Å²	118.3	47%	0.469	66%	0.661	S	S	.	*			trans	-79.9	117.5	165.5	-95.8	0	0	0	0	108	Y196 D200	Y196-S198 WeakPolarHBondContact CD2-OG 3.29Å; Y196-S198 WeakPolarHBondContact CE2-OG 3.29Å; Y196-S198 PolarHBondContact O-N 3.47Å; S198-D200 PolarHBondContact O-N 3.3Å; S198-D200 VanDerWaalsContact O-N 3.09Å
199	M	34.1	Very low	44.4	Very low	191 Å²	191	129 Å²	129	94%	0.941	70%	0.7	S	S	*	*	S	Bend	trans	-68.9	7.6	169	-69.8	-162.1	85.2	0	0	113.7	S197 S201	S197-M199 PolarHBondContact O-N 3.45Å; M199-S201 PolarHBondContact O-N 2.91Å
200	D	30.2	Very low	41.9	Very low	152 Å²	152	128 Å²	128	81%	0.813	70%	0.704	S	S	*	*			trans	-92.4	64.2	174.2	-72.2	-38.7	0	0	0	111.9	S198 K202	S198-D200 PolarHBondContact O-N 3.3Å; S198-D200 VanDerWaalsContact O-N 3.09Å; D200-K202 VanDerWaalsContact C-N 3.34Å; D200-K202 PolarHBondContact O-N 2.81Å; D200-K202 VanDerWaalsContact O-N 3.15Å
201	S	31.4	Very low	39.3	Very low	115 Å²	115	125.9 Å²	125.9	80%	0.804	71%	0.708	S	S	*	*			trans	-81.8	82.1	165.1	-74	0	0	0	0	110.4	M199	M199-S201 PolarHBondContact O-N 2.91Å
202	K	27.9	Very low	36.8	Very low	191 Å²	191	129 Å²	129	83%	0.83	72%	0.724	S	S	*	*			trans	-129.1	68.8	155.2	-80	-170.1	-179.7	177	0	109.8	D200	D200-K202 VanDerWaalsContact C-N 3.34Å; D200-K202 PolarHBondContact O-N 2.81Å; D200-K202 VanDerWaalsContact O-N 3.15Å
203	H	30.5	Very low	34.7	Very low	184 Å²	184	131.2 Å²	131.2	85%	0.852	73%	0.73	S	S	*	*			trans	-161.5	85.6	147.4	-93.8	-65.8	0	0	0	108.2	V205	H203-V205 PolarHBondContact O-N 3.28Å
204	S	27.4	Very low	32.7	Very low	117 Å²	117	137.1 Å²	137.1	82%	0.818	76%	0.756	S	S	*	*			trans	-63.4	99.6	163.3	168.9	0	0	0	0	108.1	R206	S204-R206 PolarHBondContact O-N 3.06Å
205	V	29.8	Very low	31.4	Very low	129 Å²	129	146.7 Å²	146.7	78%	0.782	78%	0.784	S	S	*	*			trans	-78	111.5	162.9	178.3	0	0	0	0	106.1	H203 S207	H203-V205 PolarHBondContact O-N 3.28Å; V205-S207 PolarHBondContact O-N 3.29Å
206	R	26.6	Very low	30.2	Very low	231 Å²	231	149.5 Å²	149.5	87%	0.872	80%	0.804	S	S	*	*			trans	-51.8	108.6	172.4	-73.8	164.9	93.1	168.7	4.6	108.4	S204 N208	S204-R206 PolarHBondContact O-N 3.06Å; R206-N208 PolarHBondContact O-N 2.9Å
207	S	29.1	Very low	29.3	Very low	108 Å²	108	149.1 Å²	149.1	76%	0.755	82%	0.82	S	S	*	*			trans	-61.8	101.6	167.7	176.2	0	0	0	0	108	V205 R209	V205-S207 PolarHBondContact O-N 3.29Å; S207-R209 PolarHBondContact O-N 2.86Å
208	N	26.8	Very low	28.7	Very low	158 Å²	158	148.9 Å²	148.9	85%	0.845	81%	0.813	S	S	*	*			trans	-82.7	107	165.2	-150.5	20.8	0	0	0	106.5	R206 G210	R206-N208 PolarHBondContact O-N 2.9Å; N208-G210 PolarHBondContact O-N 3.01Å
209	R	25.6	Very low	28.2	Very low	241 Å²	241	153 Å²	153	91%	0.909	83%	0.83	S	S	*	*			trans	-63.6	95.2	172.9	-79.7	178.8	169.1	-177.2	-3.6	108.8	S207	S207-R209 PolarHBondContact O-N 2.86Å
210	G	28.9	Very low	27.9	Very low	71 Å²	71	149.3 Å²	149.3	73%	0.732	82%	0.82	S	S	*	*			trans	-104.6	121.8	167.4	0	0	0	0	0	109.8	N208	N208-G210 PolarHBondContact O-N 3.01Å
211	S	27.7	Very low	27.8	Very low	119 Å²	119	150.1 Å²	150.1	83%	0.832	82%	0.824	S	S	*	*			trans	-54.5	140.5	-175.8	-167.4	0	0	0	0	113.8	S213	S211-S213 PolarHBondContact O-N 2.76Å
212	L	27.5	Very low	27.6	Very low	176 Å²	176	150.2 Å²	150.2	92%	0.921	82%	0.821	S	S	*	*			trans	-60.1	118.7	168.2	-73.2	148	0	0	0	109.8
213	S	29.5	Very low	27.4	Very low	112 Å²	112	149.3 Å²	149.3	78%	0.783	82%	0.824	S	S	*	*			trans	-138.8	134.2	157.3	68.6	0	0	0	0	110.4	S211	S211-S213 PolarHBondContact O-N 2.76Å
214	E	25.6	Very low	27.1	Very low	186 Å²	186	149.1 Å²	149.1	87%	0.869	82%	0.823	S	S	*	*			trans	-50.1	136.4	-177.8	-58.4	155.1	129.5	0	0	114.6
215	R	27.2	Very low	27	Very low	250 Å²	250	147.8 Å²	147.8	94%	0.943	82%	0.819	S	S	*	*				177.7	141	111	-110.5	175	172.8	159.3	-1.9	112.3
216	A	23.7	Very low	26.7	Very low	89 Å²	89	151.8 Å²	151.8	74%	0.736	83%	0.826	S	S	*	*			trans	-64.6	145.5	167.3	0	0	0	0	0	112.3
217	S	30.3	Very low	26.5	Very low	115 Å²	115	152.1 Å²	152.1	80%	0.804	83%	0.827	S	S	*	*				164.9	126.2	125.9	-69.5	0	0	0	0	111
218	T	24.5	Very low	26.2	Very low	124 Å²	124	155.2 Å²	155.2	76%	0.761	84%	0.835	S	S	*	*			trans	-19.3	125.6	158.9	51	0	0	0	0	118.1
219	D	28.5	Very low	26.1	Very low	153 Å²	153	152.3 Å²	152.3	82%	0.818	83%	0.833	S	S	*	*				175.2	153.6	108.9	-91.7	-24.7	0	0	0	112.5
220	P	26.6	Very low	25.8	Very low	114 Å²	114	150 Å²	150	74%	0.74	83%	0.832	S	S	*	*			trans	-99.6	133.3	-166.9	35.8	-28.1	0	0	0	113.4
221	L	28.1	Very low	25.6	Very low	170 Å²	170	153 Å²	153	89%	0.89	84%	0.837	S	S	*	*			trans	-141.5	157.8	174.5	-80.9	178.6	0	0	0	112.4
222	P	27.5	Very low	25.3	Very low	116 Å²	116	154.8 Å²	154.8	75%	0.753	84%	0.837	S	S	*	*			trans	-104.9	161.6	-136	24.1	-8.7	0	0	0	116	H224	P222-H224 PolarHBondContact O-N 3.22Å
223	I	23.1	Very low	25.2	Very low	172 Å²	172	154 Å²	154	88%	0.882	83%	0.834	S	S	*	*			trans	-64.8	110.8	176.2	-59.6	167.1	0	0	0	109.6
224	H	25.5	Very low	24.8	Very low	181 Å²	181	157.6 Å²	157.6	84%	0.838	84%	0.835	S	S	*	*			trans	-134.4	129.5	157.6	-119.9	-81.5	0	0	0	110.8	P222	P222-H224 PolarHBondContact O-N 3.22Å
225	A	24	Very low	24.8	Very low	89 Å²	89	155 Å²	155	74%	0.736	83%	0.832	S	S	*	*			trans	-53.4	134.4	-176.3	0	0	0	0	0	113.2
226	F	24.7	Very low	24.5	Very low	213 Å²	213	147.8 Å²	147.8	93%	0.934	82%	0.82	S	S	*	*			trans	-118.4	128.3	161.7	-111.9	-87.2	0	0	0	111.3
227	R	21.9	Very low	24.5	Very low	237 Å²	237	151.2 Å²	151.2	89%	0.894	83%	0.826	S	S	*	*			trans	-67.6	152.4	-175.5	-75.6	172.7	166.5	157.3	-5.5	112.2
228	L	22.4	Very low	24.4	Very low	174 Å²	174	150.3 Å²	150.3	91%	0.911	83%	0.825	S	S	*	*			trans	-50.3	128.8	170.4	-66.4	152.9	0	0	0	111.5
229	A	25.6	Very low	24.3	Very low	97 Å²	97	153.9 Å²	153.9	80%	0.802	83%	0.831	S	S	*	*			trans	-105.5	119.3	163.7	0	0	0	0	0	108.3
230	E	19.4	Very low	24.2	Very low	191 Å²	191	158.2 Å²	158.2	89%	0.893	84%	0.836	S	S	*	*			trans	-75.7	133.3	171.8	-66.5	169.8	151.6	0	0	109.3
231	T	24.4	Very low	24.2	Very low	136 Å²	136	158.6 Å²	158.6	83%	0.834	84%	0.836	S	S	*	*			trans	-138	116.3	160.6	51.2	0	0	0	0	109.8
232	D	20.8	Very low	24.2	Very low	155 Å²	155	157.7 Å²	157.7	83%	0.829	83%	0.832	S	S	*	*			trans	-53.4	139.9	163.6	-81.1	-49.5	0	0	0	112.4
233	N	26	Very low	24.2	Very low	161 Å²	161	156.4 Å²	156.4	86%	0.861	84%	0.84	S	S	*	*				-171	150.6	123.6	-101.7	-32.2	0	0	0	114.9
234	K	19.9	Very low	24.6	Very low	187 Å²	187	153.4 Å²	153.4	81%	0.813	83%	0.83	S	S	*	*			trans	-76.9	156.7	-171.3	-60.4	163.9	174.1	171.2	0	114.1
235	T	25.9	Very low	25.2	Very low	132 Å²	132	150.4 Å²	150.4	81%	0.81	82%	0.819	S	S	*	*			trans	157.1	106.7	139.6	44.4	0	0	0	0	108.8
236	S	22.2	Very low	25.5	Very low	98 Å²	98	149.8 Å²	149.8	69%	0.685	81%	0.81	S	S	*	*				74.5	123.1	88	69.7	0	0	0	0	116.6
237	D	23.7	Very low	26.2	Very low	161 Å²	161	145.9 Å²	145.9	86%	0.861	81%	0.805	S	S	*	*			trans	98	130.9	148.7	-62	-28.2	0	0	0	124.3
238	A	27.4	Very low	26.7	Very low	95 Å²	95	137.1 Å²	137.1	79%	0.785	79%	0.789	S	S	*	*			trans	88.1	100.2	146.4	0	0	0	0	0	121.5
239	F	21.8	Very low	27.3	Very low	199 Å²	199	133.7 Å²	133.7	87%	0.873	78%	0.78	S	S	*	*			trans	20	118.9	131.2	-102.4	-99.2	0	0	0	119.1
240	R	27.4	Very low	28.1	Very low	245 Å²	245	138 Å²	138	93%	0.925	78%	0.776	S	S	*	*				-174.5	135.2	123.2	-101.1	166.8	179.3	-166	-0.4	112.4
241	T	25.9	Very low	28.7	Very low	121 Å²	121	138.9 Å²	138.9	74%	0.742	78%	0.776	S	S	*	*			trans	-65.6	127.6	177.4	48.9	0	0	0	0	112.2
242	N	28.1	Very low	29.1	Very low	151 Å²	151	135.8 Å²	135.8	81%	0.807	77%	0.771	S	S	*	*			trans	-171.4	110.5	143.8	-95.2	-16.7	0	0	0	108.7	T244	N242-T244 PolarHBondContact O-N 3.12Å
243	G	27.2	Very low	30.1	Very low	90 Å²	90	137.8 Å²	137.8	93%	0.928	77%	0.767	S	S	*	*			trans	-66	90.5	-178.1	0	0	0	0	0	111.8
244	T	31.8	Very low	30.5	Very low	109 Å²	109	141.3 Å²	141.3	67%	0.669	77%	0.769	S	S	*	*			trans	-106.3	119.7	163.4	-50.2	0	0	0	0	106.8	N242 S246	N242-T244 PolarHBondContact O-N 3.12Å; T244-S246 PolarHBondContact O-N 2.83Å
245	L	37.7	Very low	31.6	Very low	118 Å²	118	141 Å²	141	62%	0.618	77%	0.77	S	S	*	*			trans	-66.9	83.2	173.7	-71	164.3	0	0	0	108.8
246	S	31	Very low	32.4	Very low	76 Å²	76	139.2 Å²	139.2	53%	0.531	76%	0.763	S	S	.	*			trans	-81.7	145.6	161.7	-88.7	0	0	0	0	109.1	T244 G248 S249	T244-S246 PolarHBondContact O-N 2.83Å; S246-G248 PolarHBondContact O-N 2.64Å; S246-S249 PolarHBondContact O-N 3.05Å
247	P	39.4	Very low	33.8	Very low	130 Å²	130	140.4 Å²	140.4	84%	0.844	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.6	-9.3	177.9	-22.9	31.9	0	0	0	114.9
248	G	33.3	Very low	35.5	Very low	54 Å²	54	135.3 Å²	135.3	56%	0.557	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	-12.3	-178.5	0	0	0	0	0	116.8	S246 W250	S246-G248 PolarHBondContact O-N 2.64Å; G248-W250 PolarHBondContact O-N 3.44Å; G248-W250 VanDerWaalsContact O-N 3.12Å
249	S	34.5	Very low	37.7	Very low	102 Å²	102	135.5 Å²	135.5	71%	0.713	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	1	-173.5	-165.9	0	0	0	0	115.1	S246	S246-S249 PolarHBondContact O-N 3.05Å
250	W	41.4	Very low	40.7	Very low	187 Å²	187	134.1 Å²	134.1	71%	0.708	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.3	7.5	-178.3	-67.4	76.2	0	0	0	114.1	G248 G252	G248-W250 PolarHBondContact O-N 3.44Å; G248-W250 VanDerWaalsContact O-N 3.12Å; W250-G252 VanDerWaalsContact C-N 3.32Å; W250-G252 PolarHBondContact O-N 3.28Å
251	K	33.9	Very low	43.8	Very low	209 Å²	209	124 Å²	124	91%	0.909	70%	0.699	S	S	*	*	S	Bend	trans	-82.5	8.6	179.6	-85	-167	174.3	-174.2	0	116
252	G	32.6	Very low	47.1	Very low	71 Å²	71	120.4 Å²	120.4	73%	0.732	68%	0.679	S	S	*	*			trans	-128.4	-9.7	-170.6	0	0	0	0	0	117.8	W250 R254	W250-G252 VanDerWaalsContact C-N 3.32Å; W250-G252 PolarHBondContact O-N 3.28Å; G252-R254 PolarHBondContact O-N 3.34Å
253	R	40.2	Very low	50.3	Low	197 Å²	197	115.4 Å²	115.4	74%	0.743	65%	0.654	S	S	*	*	S	Bend	trans	-83.1	105.1	178.9	-155.7	174	-171.1	-165	2.1	107.7	E255	R253-E255 PolarHBondContact O-N 3.34Å
254	R	34.5	Very low	53.5	Low	236 Å²	236	119.8 Å²	119.8	89%	0.891	65%	0.647	S	S	*	*			trans	-38.9	117.4	164.2	-96.2	178.9	168.1	174.9	-3.9	107.1	G252 S256	G252-R254 PolarHBondContact O-N 3.34Å; R254-S256 PolarHBondContact O-N 3.44Å
255	E	43.7	Very low	56.6	Low	180 Å²	180	117.3 Å²	117.3	84%	0.841	63%	0.63	S	S	*	*			trans	-65.8	82.8	179.7	-157.9	160.4	-159.3	0	0	106.6	R253 S257	R253-E255 PolarHBondContact O-N 3.34Å; E255-S257 PolarHBondContact O-N 2.85Å; E255-S257 VanDerWaalsContact O-N 3.13Å
256	S	43.7	Very low	59.4	Low	95 Å²	95	112.2 Å²	112.2	66%	0.664	60%	0.603	S	S	*	*			trans	-49.1	124.4	168.4	-62.1	0	0	0	0	105.6	R254 A258	R254-S256 PolarHBondContact O-N 3.44Å; S256-A258 WeakPolarHBondContact O-CA 3.34Å; S256-A258 PolarHBondContact O-N 3.17Å
257	S	49.9	Very low	62.5	Low	123 Å²	123	113 Å²	113	86%	0.86	60%	0.601	S	S	*	*			trans	-34.2	81.6	179	46.3	0	0	0	0	112.3	E255 V259	E255-S257 PolarHBondContact O-N 2.85Å; E255-S257 VanDerWaalsContact O-N 3.13Å; S257-V259 PolarHBondContact O-N 3.11Å
258	A	60.7	Low	65.3	Low	54 Å²	54	108.2 Å²	108.2	45%	0.446	57%	0.567	S	S	.	*			trans	-79.9	127.6	-172.3	0	0	0	0	0	106.1	S256 K260	S256-A258 WeakPolarHBondContact O-CA 3.34Å; S256-A258 PolarHBondContact O-N 3.17Å; A258-K260 PolarHBondContact O-N 2.95Å
259	V	73.6	Confident	68.2	Low	98 Å²	98	107.9 Å²	107.9	59%	0.594	55%	0.552	S	S	*	*			trans	-54.3	115	175.4	179.2	0	0	0	0	107.9	S257 F261 T609	S257-V259 PolarHBondContact O-N 3.11Å; V259-F261 HydrophobicContact CB-CE2 4.42Å; V259-F261 HydrophobicContact CG1-CE1 4.18Å; V259-F261 HydrophobicContact CG1-CE2 4.19Å; V259-F261 HydrophobicContact CG1-CZ 4.01Å; V259-F261 PolarHBondContact O-N 3.48Å; V259-T609 PolarHBondContact O-OG1 3.46Å
260	K	84.1	Confident	71.1	Confident	171 Å²	171	106.4 Å²	106.4	74%	0.743	53%	0.533	S	S	*	.			trans	-87.8	102.5	176.5	-70	-173.7	179.4	-178.8	0	108.1	A258	A258-K260 PolarHBondContact O-N 2.95Å
261	F	93.6	Very high	73.6	Confident	31 Å²	31	97.5 Å²	97.5	14%	0.136	50%	0.499	C	S	.	.			trans	-71.4	155.5	173.1	-65.8	-79.3	0	0	0	111.7	V259 D265 F266 H331 F334 T609	V259-F261 HydrophobicContact CB-CE2 4.42Å; V259-F261 HydrophobicContact CG1-CE1 4.18Å; V259-F261 HydrophobicContact CG1-CE2 4.19Å; V259-F261 HydrophobicContact CG1-CZ 4.01Å; V259-F261 PolarHBondContact O-N 3.48Å; F261-D265 HydrophobicContact CD1-CB 4.19Å; F261-F266 HydrophobicContact CB-CE2 4.05Å; F261-F266 HydrophobicContact CB-CZ 4.49Å; F261-F266 HydrophobicContact CD1-CE2 4.21Å; F261-F266 HydrophobicContact CD1-CZ 4.04Å; F261-F266 HydrophobicContact CG-CE2 4.36Å; F261-F266 HydrophobicContact CG-CZ 4.34Å; F261-H331 AromaticContact CE2-CE1 3.71Å; F261-H331 AromaticContact CZ-CE1 3.67Å; F261-F334 HydrophobicContact CB-CD1 3.97Å; F261-F334 HydrophobicContact CB-CE1 4.49Å; F261-F334 HydrophobicContact CB-CG 4.45Å; F261-F334 VanDerWaalsContact O-CB 3.27Å; F261-F334 WeakPolarHBondContact O-CB 3.48Å; F261-F334 WeakPolarHBondContact O-CG 3.33Å; F261-T609 HydrophobicContact CE2-CG2 4.32Å
262	S	95.1	Very high	76.4	Confident	47 Å²	47	88.1 Å²	88.1	33%	0.329	46%	0.459	S	S	.	.			trans	-138.7	171.6	177.7	74.6	0	0	0	0	110.3	K264 D265 F266	S262-K264 PolarHBondContact O-N 2.88Å; S262-K264 PolarHBondContact OG-N 3.09Å; S262-D265 WeakPolarHBondContact CA-OD2 3.39Å; S262-D265 WeakPolarHBondContact CB-OD2 3.41Å; S262-D265 PolarHBondContact N-OD2 3.33Å; S262-D265 WeakPolarHBondContact O-CB 3.4Å; S262-D265 PolarHBondContact O-N 2.89Å; S262-D265 VanDerWaalsContact O-N 3.14Å; S262-D265 PolarHBondContact OG-OD2 3.15Å; S262-F266 WeakPolarHBondContact O-CD2 3.41Å
263	V	94.8	Very high	79.2	Confident	45 Å²	45	85.4 Å²	85.4	27%	0.273	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-57.5	-33.1	176.9	-178.5	0	0	0	0	112	D265 F266 F268 F334 T336 F341	V263-D265 PolarHBondContact O-N 3.27Å; V263-F266 PolarHBondContact O-N 2.94Å; V263-F266 VanDerWaalsContact O-O 3.11Å; V263-F268 HydrophobicContact CG1-CE2 4.05Å; V263-F268 HydrophobicContact CG1-CZ 4.08Å; V263-F334 HydrophobicContact CB-CE2 4.49Å; V263-F334 HydrophobicContact CG2-CE2 3.76Å; V263-F334 HydrophobicContact CG2-CZ 4.44Å; V263-T336 HydrophobicContact CG2-CG2 3.72Å; V263-F341 HydrophobicContact CG2-CD2 4.5Å; V263-F341 HydrophobicContact CG2-CE1 4.31Å; V263-F341 HydrophobicContact CG2-CE2 3.75Å; V263-F341 HydrophobicContact CG2-CZ 3.63Å
264	K	94.7	Very high	81.4	Confident	183 Å²	183	81 Å²	81	80%	0.796	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-69.6	-18.8	-177.2	-61.7	179.5	-178.2	177.6	0	113.2	S262 F266 T286	S262-K264 PolarHBondContact O-N 2.88Å; S262-K264 PolarHBondContact OG-N 3.09Å; K264-F266 PolarHBondContact O-N 3.4Å; K264-T286 PolarHBondContact O-OG1 3.01Å
265	D	96.2	Very high	83.4	Confident	57 Å²	57	72.2 Å²	72.2	31%	0.305	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-79.1	-3.7	178.6	-56.4	-58.9	0	0	0	112.4	F261 S262 V263 R285 T286	F261-D265 HydrophobicContact CD1-CB 4.19Å; S262-D265 WeakPolarHBondContact CA-OD2 3.39Å; S262-D265 WeakPolarHBondContact CB-OD2 3.41Å; S262-D265 PolarHBondContact N-OD2 3.33Å; S262-D265 WeakPolarHBondContact O-CB 3.4Å; S262-D265 PolarHBondContact O-N 2.89Å; S262-D265 VanDerWaalsContact O-N 3.14Å; S262-D265 PolarHBondContact OG-OD2 3.15Å; V263-D265 PolarHBondContact O-N 3.27Å; D265-R285 CarbonylContact O-C 3.55Å; D265-R285 WeakPolarHBondContact O-CA 3.25Å; D265-T286 PolarHBondContact O-N 2.82Å; D265-T286 PolarHBondContact O-OG1 3.05Å
266	F	97.1	Very high	84.8	Confident	11 Å²	11	67.9 Å²	67.9	5%	0.048	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	131.5	-178.5	-59.8	-79.8	0	0	0	111.7	F261 S262 V263 K264 F268 A283 E284 R285 Y292 I294 F334 V343	F261-F266 HydrophobicContact CB-CE2 4.05Å; F261-F266 HydrophobicContact CB-CZ 4.49Å; F261-F266 HydrophobicContact CD1-CE2 4.21Å; F261-F266 HydrophobicContact CD1-CZ 4.04Å; F261-F266 HydrophobicContact CG-CE2 4.36Å; F261-F266 HydrophobicContact CG-CZ 4.34Å; S262-F266 WeakPolarHBondContact O-CD2 3.41Å; V263-F266 PolarHBondContact O-N 2.94Å; V263-F266 VanDerWaalsContact O-O 3.11Å; K264-F266 PolarHBondContact O-N 3.4Å; F266-F268 HydrophobicContact CB-CE1 4.19Å; F266-A283 HydrophobicContact CB-CB 4.25Å; F266-E284 CarbonylContact C-O 3.57Å; F266-E284 WeakPolarHBondContact CA-O 3.43Å; F266-R285 HydrophobicContact CD1-CB 4.23Å; F266-R285 HydrophobicContact CE1-CB 4.17Å; F266-R285 HydrophobicContact CE1-CG 4.39Å; F266-Y292 HydrophobicContact CE1-CD2 4.03Å; F266-Y292 HydrophobicContact CE1-CE2 4.39Å; F266-I294 HydrophobicContact CB-CD1 3.88Å; F266-I294 HydrophobicContact CD1-CD1 3.61Å; F266-I294 HydrophobicContact CD2-CD1 3.96Å; F266-I294 HydrophobicContact CE1-CD1 4.1Å; F266-I294 HydrophobicContact CE2-CD1 4.41Å; F266-I294 HydrophobicContact CG-CD1 3.52Å; F266-I294 HydrophobicContact CZ-CD1 4.48Å; F266-F334 AromaticContact CD2-CE1 3.92Å; F266-F334 HydrophobicContact CD2-CE1 3.92Å; F266-F334 HydrophobicContact CD2-CZ 4.05Å; F266-F334 HydrophobicContact CE2-CD1 4.33Å; F266-F334 AromaticContact CE2-CE1 3.52Å; F266-F334 HydrophobicContact CE2-CE1 3.52Å; F266-F334 HydrophobicContact CE2-CZ 4.11Å; F266-F334 HydrophobicContact CZ-CE1 4.49Å; F266-V343 HydrophobicContact CE1-CG1 3.93Å; F266-V343 HydrophobicContact CE1-CG2 4.47Å; F266-V343 HydrophobicContact CE2-CG2 4.02Å; F266-V343 HydrophobicContact CZ-CG1 3.94Å; F266-V343 HydrophobicContact CZ-CG2 3.81Å
267	N	96.4	Very high	86.6	Confident	91 Å²	91	64.9 Å²	64.9	49%	0.487	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	112.3	167.9	-178.1	30.9	0	0	0	109.2	A283 E284	N267-A283 VanDerWaalsContact O-CA 3.27Å; N267-A283 WeakPolarHBondContact O-CA 3.36Å; N267-E284 PolarHBondContact N-O 2.99Å; N267-E284 PolarHBondContact O-N 2.83Å
268	F	96.6	Very high	88.5	Confident	31 Å²	31	60 Å²	60	14%	0.136	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	124.8	176.5	-58.4	-34.5	0	0	0	110.8	V263 F266 L281 A283 I294 F341 P585 L587	V263-F268 HydrophobicContact CG1-CE2 4.05Å; V263-F268 HydrophobicContact CG1-CZ 4.08Å; F266-F268 HydrophobicContact CB-CE1 4.19Å; F268-L281 HydrophobicContact CB-CD2 4.33Å; F268-L281 HydrophobicContact CD1-CB 4.36Å; F268-L281 HydrophobicContact CG-CD2 4.42Å; F268-A283 HydrophobicContact CD1-CB 3.84Å; F268-A283 HydrophobicContact CE1-CB 4.36Å; F268-I294 HydrophobicContact CE1-CB 4.47Å; F268-I294 HydrophobicContact CE1-CD1 3.95Å; F268-I294 HydrophobicContact CE1-CG2 4.34Å; F268-F341 HydrophobicContact CZ-CE1 4.16Å; F268-P585 HydrophobicContact CB-CB 3.98Å; F268-P585 WeakPolarHBondContact O-CG 3.27Å; F268-L587 HydrophobicContact CE2-CD1 4.02Å; F268-L587 HydrophobicContact CE2-CD2 4.33Å; F268-L587 HydrophobicContact CE2-CG 4.02Å
269	I	94.7	Very high	90	Very high	47 Å²	47	58.6 Å²	58.6	24%	0.241	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	-49.6	-170.7	-62.2	164.9	0	0	0	111.1	L282 E284 K571	I269-L282 HydrophobicContact CB-CB 4.44Å; I269-L282 HydrophobicContact CB-CD2 4.22Å; I269-L282 HydrophobicContact CB-CG 4.27Å; I269-L282 HydrophobicContact CD1-CG 4.37Å; I269-L282 HydrophobicContact CG2-CD2 4.09Å; I269-L282 PolarHBondContact N-O 2.81Å; I269-E284 HydrophobicContact CD1-CB 3.7Å; I269-K571 HydrophobicContact CD1-CD 3.86Å; I269-K571 HydrophobicContact CD1-CG 4.2Å
270	K	95	Very high	91.1	Very high	70 Å²	70	55.6 Å²	55.6	30%	0.304	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	152.9	-174.6	-83.8	-178.5	173.6	-82.8	0	111.5	L281 L282 V573 T581	K270-L281 CarbonylContact O-C 3.48Å; K270-L281 VanDerWaalsContact O-CA 3.31Å; K270-L281 WeakPolarHBondContact O-CA 3.43Å; K270-L282 HydrophobicContact CB-CB 4.24Å; K270-L282 PolarHBondContact O-N 2.85Å; K270-V573 HydrophobicContact CD-CB 4.31Å; K270-V573 HydrophobicContact CD-CG1 4.01Å; K270-V573 HydrophobicContact CD-CG2 3.46Å; K270-V573 VanDerWaalsContact CD-CG2 3.46Å; K270-T581 PolarHBondContact NZ-O 3.39Å
271	V	95.1	Very high	91.7	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	125.9	165.1	-174.7	0	0	0	0	108.8	K279 L281 F580 T581 E583	V271-K279 HydrophobicContact CG1-CD 4.47Å; V271-K279 HydrophobicContact CG2-CD 4.41Å; V271-L281 HydrophobicContact CG2-CD2 4.14Å; V271-F580 WeakPolarHBondContact CB-O 3.41Å; V271-F580 HydrophobicContact CG1-CB 4.28Å; V271-F580 CarbonylContact O-C 3.54Å; V271-F580 VanDerWaalsContact O-C 3.28Å; V271-T581 VanDerWaalsContact O-CA 3.28Å; V271-T581 WeakPolarHBondContact O-CA 3.48Å; V271-T581 PolarHBondContact O-N 3.43Å; V271-E583 HydrophobicContact CB-CB 4.41Å; V271-E583 HydrophobicContact CG2-CB 4.14Å; V271-E583 HydrophobicContact CG2-CG 4.22Å
272	L	93.1	Very high	91.9	Very high	13 Å²	13	46 Å²	46	7%	0.068	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-30.3	177.1	-63.7	176.5	0	0	0	112	V280 L282 A293 F346 V573 F576	L272-V280 HydrophobicContact CB-CB 4.48Å; L272-V280 HydrophobicContact CB-CG1 4.26Å; L272-V280 HydrophobicContact CD1-CG1 4.41Å; L272-V280 PolarHBondContact N-O 3.45Å; L272-L282 HydrophobicContact CD1-CB 3.99Å; L272-L282 HydrophobicContact CD1-CD1 4.46Å; L272-L282 HydrophobicContact CD2-CB 4.03Å; L272-L282 HydrophobicContact CG-CB 3.95Å; L272-A293 HydrophobicContact CD1-CB 4.22Å; L272-F346 HydrophobicContact CD1-CD2 3.86Å; L272-F346 HydrophobicContact CD1-CE2 3.68Å; L272-F346 HydrophobicContact CD2-CE2 4.1Å; L272-V573 HydrophobicContact CD2-CB 4.49Å; L272-V573 HydrophobicContact CD2-CG1 3.67Å; L272-F576 HydrophobicContact CB-CD1 4.11Å; L272-F576 HydrophobicContact CB-CE1 4.19Å; L272-F576 HydrophobicContact CD1-CE1 4.32Å; L272-F576 HydrophobicContact CD2-CD1 3.83Å; L272-F576 HydrophobicContact CD2-CD2 4.31Å; L272-F576 HydrophobicContact CD2-CE1 3.92Å; L272-F576 HydrophobicContact CD2-CE2 4.39Å; L272-F576 HydrophobicContact CD2-CG 4.02Å; L272-F576 HydrophobicContact CD2-CZ 4.19Å; L272-F576 HydrophobicContact CG-CD1 4.47Å; L272-F576 HydrophobicContact CG-CE1 4.37Å
273	G	90.6	Very high	92	Very high	13 Å²	13	43.8 Å²	43.8	13%	0.134	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172	169.2	-179.7	0	0	0	0	0	113.4	V280	G273-V280 PolarHBondContact N-O 2.84Å; G273-V280 PolarHBondContact O-N 2.49Å
274	K	86.5	Confident	92	Very high	106 Å²	106	43 Å²	43	46%	0.461	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	132.8	174.9	-67	-174.1	176.8	172.4	0	110.2	K279 F580 E583	K274-K279 HydrophobicContact CG-CG 4.31Å; K274-F580 HydrophobicContact CB-CE1 4.36Å; K274-F580 HydrophobicContact CG-CD1 4.3Å; K274-F580 HydrophobicContact CG-CE1 4.35Å; K274-E583 VanDerWaalsContact CE-CD 3.48Å; K274-E583 VanDerWaalsContact CE-OE1 3.29Å; K274-E583 WeakPolarHBondContact CE-OE1 3.25Å; K274-E583 WeakPolarHBondContact CE-OE2 3.49Å; K274-E583 IonicContact NZ-OE1 3.42Å; K274-E583 PolarHBondContact NZ-OE1 3.47Å; K274-E583 IonicContact NZ-OE2 3.65Å; K274-E583 PolarHBondContact NZ-OE2 3.16Å
275	G	76	Confident	92.1	Very high	50 Å²	50	38 Å²	38	52%	0.515	21%	0.211	S	C	.	.			trans	-112.1	-175.9	172	0	0	0	0	0	111.6	F277 G278	G275-F277 PolarHBondContact O-N 3.32Å; G275-G278 PolarHBondContact N-O 3.32Å
276	S	74.4	Confident	92	Very high	89 Å²	89	39.3 Å²	39.3	62%	0.622	22%	0.221	S	C	*	.	S	Bend	trans	-58.7	-34.9	178.1	50.1	0	0	0	0	113.5
277	F	81.3	Confident	91.8	Very high	32 Å²	32	42.8 Å²	42.8	14%	0.14	26%	0.26	C	S	.	.	S	Bend	trans	-105.3	-6.7	-171.4	-55.6	-61.3	0	0	0	114.2	G275 L297 K298 V301 I302 D305 D307	G275-F277 PolarHBondContact O-N 3.32Å; F277-L297 HydrophobicContact CB-CB 4.44Å; F277-L297 HydrophobicContact CB-CD2 3.81Å; F277-K298 PolarHBondContact O-N 3.23Å; F277-V301 HydrophobicContact CD1-CB 4.48Å; F277-V301 HydrophobicContact CD1-CG1 3.79Å; F277-V301 HydrophobicContact CE1-CG1 4.39Å; F277-I302 HydrophobicContact CD1-CG1 4.42Å; F277-D305 HydrophobicContact CE1-CB 4.15Å; F277-D307 HydrophobicContact CZ-CB 4.27Å; F277-D307 WeakPolarHBondContact CZ-OD2 3.08Å
278	G	88.3	Confident	91.6	Very high	20 Å²	20	40.2 Å²	40.2	21%	0.206	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.7	-152	-177.8	0	0	0	0	0	115.6	G275 A296	G275-G278 PolarHBondContact N-O 3.32Å; G278-A296 VanDerWaalsContact CA-O 3.3Å; G278-A296 WeakPolarHBondContact CA-O 3.15Å
279	K	94	Very high	91.2	Very high	25 Å²	25	44.5 Å²	44.5	11%	0.109	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	149.4	-170.5	-56.3	-170.5	-173	-179.3	0	111.2	V271 K274 L281 K295 A296 E583 F586	V271-K279 HydrophobicContact CG1-CD 4.47Å; V271-K279 HydrophobicContact CG2-CD 4.41Å; K274-K279 HydrophobicContact CG-CG 4.31Å; K279-L281 HydrophobicContact CB-CD1 4.4Å; K279-L281 HydrophobicContact CB-CG 4.44Å; K279-K295 WeakPolarHBondContact O-CA 3.29Å; K279-A296 PolarHBondContact N-O 2.82Å; K279-A296 VanDerWaalsContact N-O 3.09Å; K279-A296 PolarHBondContact O-N 3.48Å; K279-E583 WeakPolarHBondContact CE-OE1 3.42Å; K279-E583 IonicContact NZ-OE1 2.83Å; K279-E583 PolarHBondContact NZ-OE1 3.36Å; K279-F586 PolarHBondContact NZ-O 3.01Å
280	V	95.5	Very high	91.1	Very high	36 Å²	36	45.6 Å²	45.6	22%	0.218	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	124.4	165.5	-174.4	0	0	0	0	107.6	L272 G273 A293 I294 K295	L272-V280 HydrophobicContact CB-CB 4.48Å; L272-V280 HydrophobicContact CB-CG1 4.26Å; L272-V280 HydrophobicContact CD1-CG1 4.41Å; L272-V280 PolarHBondContact N-O 3.45Å; G273-V280 PolarHBondContact N-O 2.84Å; G273-V280 PolarHBondContact O-N 2.49Å; V280-A293 HydrophobicContact CG1-CB 4.27Å; V280-I294 CarbonylContact C-O 3.58Å; V280-I294 WeakPolarHBondContact CA-O 3.15Å; V280-K295 HydrophobicContact CG2-CB 4.29Å; V280-K295 HydrophobicContact CG2-CG 4.1Å
281	L	97.1	Very high	91.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	138	-175	-61	126.6	0	0	0	110.1	F268 K270 V271 K279 A293 I294 A296 P585 L587	F268-L281 HydrophobicContact CB-CD2 4.33Å; F268-L281 HydrophobicContact CD1-CB 4.36Å; F268-L281 HydrophobicContact CG-CD2 4.42Å; K270-L281 CarbonylContact O-C 3.48Å; K270-L281 VanDerWaalsContact O-CA 3.31Å; K270-L281 WeakPolarHBondContact O-CA 3.43Å; V271-L281 HydrophobicContact CG2-CD2 4.14Å; K279-L281 HydrophobicContact CB-CD1 4.4Å; K279-L281 HydrophobicContact CB-CG 4.44Å; L281-A293 CarbonylContact O-C 3.32Å; L281-A293 WeakPolarHBondContact O-CA 3.29Å; L281-I294 PolarHBondContact N-O 3.34Å; L281-I294 PolarHBondContact O-N 3.06Å; L281-A296 HydrophobicContact CD1-CB 4.09Å; L281-P585 HydrophobicContact CD2-CB 3.95Å; L281-L587 HydrophobicContact CD1-CD2 3.79Å
282	L	96.9	Very high	91.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	128.9	162.3	-177.6	66.2	0	0	0	108.1	I269 K270 L272 I291 F346 K571 V573	I269-L282 HydrophobicContact CB-CB 4.44Å; I269-L282 HydrophobicContact CB-CD2 4.22Å; I269-L282 HydrophobicContact CB-CG 4.27Å; I269-L282 HydrophobicContact CD1-CG 4.37Å; I269-L282 HydrophobicContact CG2-CD2 4.09Å; I269-L282 PolarHBondContact N-O 2.81Å; K270-L282 HydrophobicContact CB-CB 4.24Å; K270-L282 PolarHBondContact O-N 2.85Å; L272-L282 HydrophobicContact CD1-CB 3.99Å; L272-L282 HydrophobicContact CD1-CD1 4.46Å; L272-L282 HydrophobicContact CD2-CB 4.03Å; L272-L282 HydrophobicContact CG-CB 3.95Å; L282-I291 HydrophobicContact CD1-CG2 3.38Å; L282-I291 HydrophobicContact CG-CG2 4.38Å; L282-F346 HydrophobicContact CD1-CD1 3.97Å; L282-F346 HydrophobicContact CD1-CD2 3.68Å; L282-F346 HydrophobicContact CD1-CE1 4.02Å; L282-F346 HydrophobicContact CD1-CE2 3.74Å; L282-F346 HydrophobicContact CD1-CG 3.8Å; L282-F346 HydrophobicContact CD1-CZ 3.91Å; L282-K571 HydrophobicContact CD2-CB 4.23Å; L282-V573 HydrophobicContact CD2-CG1 3.8Å
283	A	97	Very high	91.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	148.2	-179.8	0	0	0	0	0	111.8	F266 N267 F268 I291 Y292 I294	F266-A283 HydrophobicContact CB-CB 4.25Å; N267-A283 VanDerWaalsContact O-CA 3.27Å; N267-A283 WeakPolarHBondContact O-CA 3.36Å; F268-A283 HydrophobicContact CD1-CB 3.84Å; F268-A283 HydrophobicContact CE1-CB 4.36Å; A283-I291 WeakPolarHBondContact O-CA 3.32Å; A283-Y292 PolarHBondContact N-O 3.43Å; A283-Y292 PolarHBondContact O-N 3.17Å; A283-I294 HydrophobicContact CB-CD1 3.46Å; A283-I294 VanDerWaalsContact CB-CD1 3.46Å; A283-I294 HydrophobicContact CB-CG1 3.88Å
284	E	96.1	Very high	91.7	Very high	28 Å²	28	43 Å²	43	13%	0.131	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	135	168.9	171.5	175.2	-128	0	0	109	F266 N267 I269 T286 T288 E290 I291 K571	F266-E284 CarbonylContact C-O 3.57Å; F266-E284 WeakPolarHBondContact CA-O 3.43Å; N267-E284 PolarHBondContact N-O 2.99Å; N267-E284 PolarHBondContact O-N 2.83Å; I269-E284 HydrophobicContact CD1-CB 3.7Å; E284-T286 PolarHBondContact O-N 3.29Å; E284-T288 VanDerWaalsContact CG-O 3.27Å; E284-T288 WeakPolarHBondContact CG-O 3.33Å; E284-E290 WeakPolarHBondContact CA-O 3.41Å; E284-I291 HydrophobicContact CB-CD1 3.76Å; E284-I291 HydrophobicContact CG-CD1 4.08Å; E284-K571 VanDerWaalsContact OE1-CE 3.31Å; E284-K571 WeakPolarHBondContact OE1-CE 3.37Å; E284-K571 IonicContact OE1-NZ 3.35Å; E284-K571 PolarHBondContact OE1-NZ 3.19Å; E284-K571 IonicContact OE2-NZ 3.12Å; E284-K571 PolarHBondContact OE2-NZ 3.36Å
285	R	95.6	Very high	92.2	Very high	79 Å²	79	39 Å²	39	30%	0.298	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	124.7	175.9	-179.3	-175.4	109.9	-177.7	7.6	109.6	D265 F266 G287 T288 E290 Y292	D265-R285 CarbonylContact O-C 3.55Å; D265-R285 WeakPolarHBondContact O-CA 3.25Å; F266-R285 HydrophobicContact CD1-CB 4.23Å; F266-R285 HydrophobicContact CE1-CB 4.17Å; F266-R285 HydrophobicContact CE1-CG 4.39Å; R285-G287 PolarHBondContact O-N 2.72Å; R285-T288 WeakPolarHBondContact CB-OG1 3.24Å; R285-T288 PolarHBondContact O-N 3.41Å; R285-T288 VanDerWaalsContact O-O 3.07Å; R285-T288 PolarHBondContact O-OG1 3.13Å; R285-E290 HydrophobicContact CB-CB 4.38Å; R285-E290 WeakPolarHBondContact CD-OE2 3.38Å; R285-E290 IonicContact CZ-OE2 3.71Å; R285-E290 PolarHBondContact N-O 3.01Å; R285-E290 IonicContact NE-OE2 2.81Å; R285-E290 PolarHBondContact NE-OE2 2.61Å; R285-E290 IonicContact NH1-OE1 3.81Å; R285-E290 IonicContact NH1-OE2 3.98Å; R285-E290 PolarHBondContact NH1-OE2 2.81Å; R285-E290 IonicContact NH2-OE2 2.76Å; R285-Y292 HydrophobicContact CB-CD2 4.47Å; R285-Y292 HydrophobicContact CB-CE2 4.05Å
286	T	94.6	Very high	93.2	Very high	84 Å²	84	36.7 Å²	36.7	52%	0.515	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	128.6	-175.2	-58.9	0	0	0	0	111.2	K264 D265 E284 T288	K264-T286 PolarHBondContact O-OG1 3.01Å; D265-T286 PolarHBondContact O-N 2.82Å; D265-T286 PolarHBondContact O-OG1 3.05Å; E284-T286 PolarHBondContact O-N 3.29Å; T286-T288 VanDerWaalsContact C-N 3.31Å; T286-T288 PolarHBondContact O-N 2.86Å
287	G	92.6	Very high	94.3	Very high	85 Å²	85	32.7 Å²	32.7	88%	0.876	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.5	7	-179.3	0	0	0	0	0	115.2	R285	R285-G287 PolarHBondContact O-N 2.72Å
288	T	92.2	Very high	94.9	Very high	37 Å²	37	33.3 Å²	33.3	23%	0.227	20%	0.196	C	C	.	.	S	Bend	trans	-136.9	167.8	175.8	69.9	0	0	0	0	111.3	E284 R285 T286 E290	E284-T288 VanDerWaalsContact CG-O 3.27Å; E284-T288 WeakPolarHBondContact CG-O 3.33Å; R285-T288 WeakPolarHBondContact CB-OG1 3.24Å; R285-T288 PolarHBondContact O-N 3.41Å; R285-T288 VanDerWaalsContact O-O 3.07Å; R285-T288 PolarHBondContact O-OG1 3.13Å; T286-T288 VanDerWaalsContact C-N 3.31Å; T286-T288 PolarHBondContact O-N 2.86Å; T288-E290 VanDerWaalsContact C-N 3.31Å; T288-E290 PolarHBondContact OG1-N 3.43Å
289	D	88.7	Confident	95.2	Very high	120 Å²	120	32.4 Å²	32.4	64%	0.642	19%	0.186	S	C	*	.			trans	-92.5	14.2	171.7	-66	-30.7	0	0	0	112.4
290	E	93	Very high	95	Very high	71 Å²	71	33 Å²	33	33%	0.332	19%	0.19	S	C	.	.			trans	-77.4	128	-177.3	-63.6	-179.9	148.4	0	0	111	E284 R285 T288 Y292	E284-E290 WeakPolarHBondContact CA-O 3.41Å; R285-E290 HydrophobicContact CB-CB 4.38Å; R285-E290 WeakPolarHBondContact CD-OE2 3.38Å; R285-E290 IonicContact CZ-OE2 3.71Å; R285-E290 PolarHBondContact N-O 3.01Å; R285-E290 IonicContact NE-OE2 2.81Å; R285-E290 PolarHBondContact NE-OE2 2.61Å; R285-E290 IonicContact NH1-OE1 3.81Å; R285-E290 IonicContact NH1-OE2 3.98Å; R285-E290 PolarHBondContact NH1-OE2 2.81Å; R285-E290 IonicContact NH2-OE2 2.76Å; T288-E290 VanDerWaalsContact C-N 3.31Å; T288-E290 PolarHBondContact OG1-N 3.43Å; E290-Y292 HydrophobicContact CB-CE2 3.69Å; E290-Y292 PolarHBondContact OE2-OH 3.26Å
291	I	94.9	Very high	94.7	Very high	24 Å²	24	32.7 Å²	32.7	12%	0.123	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	136.9	-174	-55.8	-54.4	0	0	0	110.9	L282 A283 E284 F346 R570 K571	L282-I291 HydrophobicContact CD1-CG2 3.38Å; L282-I291 HydrophobicContact CG-CG2 4.38Å; A283-I291 WeakPolarHBondContact O-CA 3.32Å; E284-I291 HydrophobicContact CB-CD1 3.76Å; E284-I291 HydrophobicContact CG-CD1 4.08Å; I291-F346 HydrophobicContact CG2-CB 3.98Å; I291-F346 HydrophobicContact CG2-CD1 3.78Å; I291-F346 HydrophobicContact CG2-CG 4.01Å; I291-R570 HydrophobicContact CG1-CB 4.06Å; I291-K571 HydrophobicContact CD1-CD 4.19Å; I291-K571 VanDerWaalsContact CD1-CE 3.43Å; I291-K571 HydrophobicContact CD1-CG 3.67Å; I291-K571 HydrophobicContact CG1-CG 4.15Å
292	Y	97	Very high	94.4	Very high	8 Å²	8	32.7 Å²	32.7	3%	0.031	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	156.3	-178.3	-60.9	-80.7	0	0	0	111.9	F266 A283 R285 E290 H331 V343 M344 Y613	F266-Y292 HydrophobicContact CE1-CD2 4.03Å; F266-Y292 HydrophobicContact CE1-CE2 4.39Å; A283-Y292 PolarHBondContact N-O 3.43Å; A283-Y292 PolarHBondContact O-N 3.17Å; R285-Y292 HydrophobicContact CB-CD2 4.47Å; R285-Y292 HydrophobicContact CB-CE2 4.05Å; E290-Y292 HydrophobicContact CB-CE2 3.69Å; E290-Y292 PolarHBondContact OE2-OH 3.26Å; Y292-H331 HydrophobicContact CD1-CB 4.18Å; Y292-H331 HydrophobicContact CE1-CB 3.81Å; Y292-H331 AromaticContact CE1-CD2 3.96Å; Y292-H331 AromaticContact CE1-CG 3.66Å; Y292-V343 HydrophobicContact CD1-CG1 3.74Å; Y292-V343 HydrophobicContact CD2-CG1 4.26Å; Y292-V343 HydrophobicContact CE1-CG1 4.39Å; Y292-V343 HydrophobicContact CG-CG1 3.64Å; Y292-M344 WeakPolarHBondContact CA-O 3.44Å; Y292-M344 WeakPolarHBondContact CB-O 3.49Å; Y292-Y613 HydrophobicContact CE1-CE1 4.26Å
293	A	96.9	Very high	93.9	Very high	10 Å²	10	35 Å²	35	8%	0.083	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	121.7	162.2	0	0	0	0	0	108.7	L272 V280 L281 M344 F346	L272-A293 HydrophobicContact CD1-CB 4.22Å; V280-A293 HydrophobicContact CG1-CB 4.27Å; L281-A293 CarbonylContact O-C 3.32Å; L281-A293 WeakPolarHBondContact O-CA 3.29Å; A293-M344 PolarHBondContact N-O 3.32Å; A293-M344 PolarHBondContact O-N 3.01Å; A293-F346 HydrophobicContact CB-CD2 4.45Å
294	I	97.7	Very high	93.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	111.8	-178.3	-60.6	-174.4	0	0	0	109.8	F266 F268 V280 L281 A283 F341 F342 V343	F266-I294 HydrophobicContact CB-CD1 3.88Å; F266-I294 HydrophobicContact CD1-CD1 3.61Å; F266-I294 HydrophobicContact CD2-CD1 3.96Å; F266-I294 HydrophobicContact CE1-CD1 4.1Å; F266-I294 HydrophobicContact CE2-CD1 4.41Å; F266-I294 HydrophobicContact CG-CD1 3.52Å; F266-I294 HydrophobicContact CZ-CD1 4.48Å; F268-I294 HydrophobicContact CE1-CB 4.47Å; F268-I294 HydrophobicContact CE1-CD1 3.95Å; F268-I294 HydrophobicContact CE1-CG2 4.34Å; V280-I294 CarbonylContact C-O 3.58Å; V280-I294 WeakPolarHBondContact CA-O 3.15Å; L281-I294 PolarHBondContact N-O 3.34Å; L281-I294 PolarHBondContact O-N 3.06Å; A283-I294 HydrophobicContact CB-CD1 3.46Å; A283-I294 VanDerWaalsContact CB-CD1 3.46Å; A283-I294 HydrophobicContact CB-CG1 3.88Å; I294-F341 HydrophobicContact CG2-CB 4.28Å; I294-F341 HydrophobicContact CG2-CD1 3.81Å; I294-F342 CarbonylContact C-O 3.57Å; I294-F342 VanDerWaalsContact CA-O 3.26Å; I294-F342 WeakPolarHBondContact CA-O 3.36Å; I294-V343 HydrophobicContact CD1-CG1 4.37Å; I294-V343 HydrophobicContact CD1-CG2 4.11Å; I294-V343 HydrophobicContact CG1-CB 4.42Å; I294-V343 HydrophobicContact CG1-CG1 4.19Å; I294-V343 HydrophobicContact CG1-CG2 4.19Å
295	K	97.1	Very high	92.6	Very high	22 Å²	22	38.1 Å²	38.1	10%	0.096	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	111.7	171.7	-169.8	-174.6	-160.5	-174.3	0	108.3	K279 V280 L297 E314 F341 F342 M344 D408	K279-K295 WeakPolarHBondContact O-CA 3.29Å; V280-K295 HydrophobicContact CG2-CB 4.29Å; V280-K295 HydrophobicContact CG2-CG 4.1Å; K295-L297 HydrophobicContact CD-CD2 4.04Å; K295-L297 HydrophobicContact CG-CD2 3.81Å; K295-L297 HydrophobicContact CG-CG 4.34Å; K295-E314 VanDerWaalsContact NZ-CD 3.34Å; K295-E314 IonicContact NZ-OE1 3.92Å; K295-E314 PolarHBondContact NZ-OE1 3.09Å; K295-E314 IonicContact NZ-OE2 3.46Å; K295-E314 PolarHBondContact NZ-OE2 2.83Å; K295-F341 WeakPolarHBondContact O-CA 3.44Å; K295-F342 HydrophobicContact CB-CB 4.22Å; K295-F342 HydrophobicContact CD-CD2 4.41Å; K295-F342 PolarHBondContact N-O 2.75Å; K295-F342 PolarHBondContact O-N 3.37Å; K295-M344 HydrophobicContact CB-CE 3.69Å; K295-D408 IonicContact NZ-OD1 3.14Å; K295-D408 PolarHBondContact NZ-OD1 3.08Å
296	A	97.3	Very high	91.9	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.008	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	119.9	177.8	0	0	0	0	0	109.8	G278 K279 L281 Y339 L340 F341 L587	G278-A296 VanDerWaalsContact CA-O 3.3Å; G278-A296 WeakPolarHBondContact CA-O 3.15Å; K279-A296 PolarHBondContact N-O 2.82Å; K279-A296 VanDerWaalsContact N-O 3.09Å; K279-A296 PolarHBondContact O-N 3.48Å; L281-A296 HydrophobicContact CD1-CB 4.09Å; A296-Y339 HydrophobicContact CB-CD1 4.3Å; A296-L340 CarbonylContact C-O 3.54Å; A296-L340 WeakPolarHBondContact CA-O 3.49Å; A296-F341 HydrophobicContact CB-CD1 3.73Å; A296-F341 HydrophobicContact CB-CE1 3.59Å; A296-L587 HydrophobicContact CB-CD2 3.57Å
297	L	95.7	Very high	91.7	Very high	4 Å²	4	33.1 Å²	33.1	2%	0.021	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	133.5	-175.2	-50.3	174.4	0	0	0	110.9	F277 K295 I302 T311 Y339 L340 F342	F277-L297 HydrophobicContact CB-CB 4.44Å; F277-L297 HydrophobicContact CB-CD2 3.81Å; K295-L297 HydrophobicContact CD-CD2 4.04Å; K295-L297 HydrophobicContact CG-CD2 3.81Å; K295-L297 HydrophobicContact CG-CG 4.34Å; L297-I302 HydrophobicContact CB-CD1 3.81Å; L297-I302 HydrophobicContact CD1-CD1 4.29Å; L297-T311 HydrophobicContact CD1-CG2 4.16Å; L297-Y339 CarbonylContact O-C 3.51Å; L297-Y339 VanDerWaalsContact O-CA 3.29Å; L297-Y339 WeakPolarHBondContact O-CA 3.31Å; L297-Y339 WeakPolarHBondContact O-CD1 3.07Å; L297-L340 HydrophobicContact CB-CB 4.38Å; L297-L340 PolarHBondContact N-O 2.68Å; L297-L340 PolarHBondContact O-N 3.33Å; L297-F342 HydrophobicContact CD1-CD2 4.04Å; L297-F342 HydrophobicContact CD1-CE2 3.65Å
298	K	94.7	Very high	91.6	Very high	46 Å²	46	29.7 Å²	29.7	20%	0.2	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	122.6	177.4	-76.2	-172.3	171.1	-166.1	0	111.7	F277 D300 V301 I302 Y339 V590	F277-K298 PolarHBondContact O-N 3.23Å; K298-D300 WeakPolarHBondContact CB-OD1 3.35Å; K298-D300 PolarHBondContact O-N 3.05Å; K298-V301 HydrophobicContact CB-CB 4.13Å; K298-V301 HydrophobicContact CB-CG2 3.67Å; K298-V301 HydrophobicContact CD-CG2 4.01Å; K298-V301 HydrophobicContact CG-CG2 4.49Å; K298-V301 PolarHBondContact O-N 3.1Å; K298-I302 WeakPolarHBondContact O-CG1 3.3Å; K298-I302 PolarHBondContact O-N 3.23Å; K298-I302 VanDerWaalsContact O-N 3.15Å; K298-Y339 HydrophobicContact CB-CE1 4.37Å; K298-Y339 WeakPolarHBondContact CE-OH 3.45Å; K298-Y339 HydrophobicContact CG-CD1 4.18Å; K298-Y339 HydrophobicContact CG-CE1 3.39Å; K298-V590 HydrophobicContact CD-CG2 4.21Å; K298-V590 HydrophobicContact CG-CG2 4.32Å
299	K	94.7	Very high	91.6	Very high	1 Å²	1	32.7 Å²	32.7	0%	0.004	17%	0.17	C	C	.	.	H	α-helix	trans	-63	-40.3	-178.3	-78	178.4	169.5	-177.6	0	113.3	V301 I302 L303 T336 E337 E338 L340 I598 F603	K299-V301 VanDerWaalsContact C-N 3.32Å; K299-V301 PolarHBondContact O-N 3.37Å; K299-I302 PolarHBondContact O-N 2.74Å; K299-L303 WeakPolarHBondContact O-CG 3.49Å; K299-L303 PolarHBondContact O-N 2.76Å; K299-T336 WeakPolarHBondContact CE-O 3.32Å; K299-T336 PolarHBondContact NZ-O 3.5Å; K299-E337 WeakPolarHBondContact CD-O 3.37Å; K299-E338 WeakPolarHBondContact CB-O 3.47Å; K299-E338 PolarHBondContact N-O 2.99Å; K299-L340 HydrophobicContact CD-CD2 4.41Å; K299-L340 HydrophobicContact CG-CD2 4.21Å; K299-L340 HydrophobicContact CG-CG 3.98Å; K299-I598 HydrophobicContact CB-CD1 3.9Å; K299-I598 HydrophobicContact CB-CG2 4.07Å; K299-I598 HydrophobicContact CD-CG2 4.2Å; K299-F603 HydrophobicContact CB-CE2 3.92Å; K299-F603 HydrophobicContact CB-CZ 4.19Å; K299-F603 HydrophobicContact CD-CD2 3.9Å; K299-F603 HydrophobicContact CD-CE2 4.01Å; K299-F603 HydrophobicContact CG-CD2 4.07Å; K299-F603 HydrophobicContact CG-CE2 3.78Å; K299-F603 HydrophobicContact CG-CZ 4.08Å
300	D	89.9	Confident	91.8	Very high	36 Å²	36	28.3 Å²	28.3	19%	0.193	15%	0.148	C	C	.	.	H	α-helix	trans	-61.8	-40.6	178.5	62.7	-52.5	0	0	0	111.7	K298 L303 Q304 V594 I598	K298-D300 WeakPolarHBondContact CB-OD1 3.35Å; K298-D300 PolarHBondContact O-N 3.05Å; D300-L303 PolarHBondContact O-N 3.14Å; D300-Q304 VanDerWaalsContact O-CB 3.27Å; D300-Q304 WeakPolarHBondContact O-CB 3.47Å; D300-Q304 PolarHBondContact O-N 3.37Å; D300-V594 HydrophobicContact CB-CG1 3.44Å; D300-V594 VanDerWaalsContact CB-CG1 3.44Å; D300-I598 HydrophobicContact CB-CD1 4.18Å; D300-I598 HydrophobicContact CB-CG1 4.46Å
301	V	88.9	Confident	91.8	Very high	31 Å²	31	25.2 Å²	25.2	19%	0.188	13%	0.134	C	C	.	.	H	α-helix	trans	-67.6	-42.6	177.1	-171.3	0	0	0	0	111	F277 K298 K299 L303 Q304 D305	F277-V301 HydrophobicContact CD1-CB 4.48Å; F277-V301 HydrophobicContact CD1-CG1 3.79Å; F277-V301 HydrophobicContact CE1-CG1 4.39Å; K298-V301 HydrophobicContact CB-CB 4.13Å; K298-V301 HydrophobicContact CB-CG2 3.67Å; K298-V301 HydrophobicContact CD-CG2 4.01Å; K298-V301 HydrophobicContact CG-CG2 4.49Å; K298-V301 PolarHBondContact O-N 3.1Å; K299-V301 VanDerWaalsContact C-N 3.32Å; K299-V301 PolarHBondContact O-N 3.37Å; V301-L303 PolarHBondContact O-N 3.19Å; V301-Q304 PolarHBondContact O-N 3.02Å; V301-D305 PolarHBondContact O-N 2.86Å
302	I	90.2	Very high	91.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.3	-46.5	176.1	-66	165.4	0	0	0	111	F277 L297 K298 K299 D305 D306 D307 V308 T311 L340 F603	F277-I302 HydrophobicContact CD1-CG1 4.42Å; L297-I302 HydrophobicContact CB-CD1 3.81Å; L297-I302 HydrophobicContact CD1-CD1 4.29Å; K298-I302 WeakPolarHBondContact O-CG1 3.3Å; K298-I302 PolarHBondContact O-N 3.23Å; K298-I302 VanDerWaalsContact O-N 3.15Å; K299-I302 PolarHBondContact O-N 2.74Å; I302-D305 PolarHBondContact O-N 3.04Å; I302-D306 PolarHBondContact O-N 2.7Å; I302-D306 VanDerWaalsContact O-N 3.13Å; I302-D307 HydrophobicContact CG2-CB 4.34Å; I302-D307 PolarHBondContact O-N 3.06Å; I302-V308 HydrophobicContact CG2-CG2 4Å; I302-T311 HydrophobicContact CD1-CG2 4.3Å; I302-L340 HydrophobicContact CD1-CD1 3.69Å; I302-L340 HydrophobicContact CD1-CG 4.42Å; I302-F603 HydrophobicContact CB-CZ 4.38Å; I302-F603 HydrophobicContact CG2-CE1 4.02Å; I302-F603 HydrophobicContact CG2-CZ 4.14Å
303	L	88.1	Confident	91.8	Very high	48 Å²	48	25.9 Å²	25.9	25%	0.251	14%	0.138	S	C	.	.	H	α-helix	trans	-66	-39.8	178.1	-71.7	171.3	0	0	0	112	K299 D300 V301 D305 D306 V308 I598 E602 F603	K299-L303 WeakPolarHBondContact O-CG 3.49Å; K299-L303 PolarHBondContact O-N 2.76Å; D300-L303 PolarHBondContact O-N 3.14Å; V301-L303 PolarHBondContact O-N 3.19Å; L303-D305 VanDerWaalsContact C-N 3.27Å; L303-D305 PolarHBondContact O-N 3.4Å; L303-D306 PolarHBondContact O-N 3.37Å; L303-V308 HydrophobicContact CD2-CG2 3.67Å; L303-I598 HydrophobicContact CD1-CB 4.3Å; L303-I598 HydrophobicContact CD1-CG1 4.4Å; L303-I598 HydrophobicContact CD1-CG2 3.75Å; L303-E602 HydrophobicContact CD2-CB 4.18Å; L303-E602 HydrophobicContact CD2-CG 3.9Å; L303-F603 HydrophobicContact CD1-CE2 4.14Å; L303-F603 HydrophobicContact CD2-CE2 4.21Å; L303-F603 HydrophobicContact CD2-CZ 4.13Å; L303-F603 HydrophobicContact CG-CE2 4.06Å; L303-F603 HydrophobicContact CG-CZ 3.98Å
304	Q	82.9	Confident	91.8	Very high	56 Å²	56	25.7 Å²	25.7	26%	0.262	14%	0.135	S	C	.	.	H	α-helix	trans	-63.1	-36.3	179.5	-168	-166	-64.6	0	0	112	K77 D300 V301	K77-Q304 PolarHBondContact NZ-O 2.83Å; D300-Q304 VanDerWaalsContact O-CB 3.27Å; D300-Q304 WeakPolarHBondContact O-CB 3.47Å; D300-Q304 PolarHBondContact O-N 3.37Å; V301-Q304 PolarHBondContact O-N 3.02Å
305	D	81.7	Confident	91.7	Very high	38 Å²	38	26.9 Å²	26.9	20%	0.203	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	2.6	179.1	-78.1	-13.4	0	0	0	114	K63 F277 V301 I302 L303 D307	K63-D305 WeakPolarHBondContact CE-OD1 3.37Å; K63-D305 IonicContact NZ-OD1 2.79Å; K63-D305 PolarHBondContact NZ-OD1 3.39Å; K63-D305 IonicContact NZ-OD2 2.69Å; F277-D305 HydrophobicContact CE1-CB 4.15Å; V301-D305 PolarHBondContact O-N 2.86Å; I302-D305 PolarHBondContact O-N 3.04Å; L303-D305 VanDerWaalsContact C-N 3.27Å; L303-D305 PolarHBondContact O-N 3.4Å; D305-D307 VanDerWaalsContact C-N 3.35Å
306	D	82	Confident	91.7	Very high	52 Å²	52	31 Å²	31	28%	0.278	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	45.2	-179.7	-166	23.7	0	0	0	111.7	R31 H33 Y66 I302 L303	R31-D306 IonicContact CZ-OD2 2.8Å; R31-D306 IonicContact NE-OD2 3.01Å; R31-D306 PolarHBondContact NH1-O 3.03Å; R31-D306 IonicContact NH1-OD1 3.12Å; R31-D306 PolarHBondContact NH1-OD1 3.01Å; R31-D306 IonicContact NH1-OD2 2.82Å; R31-D306 PolarHBondContact NH1-OD2 3.38Å; R31-D306 VanDerWaalsContact NH1-OD2 3.14Å; H33-D306 IonicContact CE1-OD2 3.41Å; H33-D306 PolarHBondContact CE1-OD2 2.77Å; H33-D306 IonicContact NE2-OD2 3.07Å; H33-D306 PolarHBondContact NE2-OD2 3.28Å; Y66-D306 PolarHBondContact OH-OD2 3.31Å; I302-D306 PolarHBondContact O-N 2.7Å; I302-D306 VanDerWaalsContact O-N 3.13Å; L303-D306 PolarHBondContact O-N 3.37Å
307	D	88.8	Confident	91.8	Very high	5 Å²	5	31 Å²	31	3%	0.027	16%	0.155	C	C	.	.			trans	-115.6	18.9	-170.4	-105.1	5.4	0	0	0	113.9	R29 F277 I302 D305 C310 T311	R29-D307 VanDerWaalsContact CD-OD1 3.31Å; R29-D307 WeakPolarHBondContact CD-OD1 3.29Å; R29-D307 VanDerWaalsContact CD-OD2 3.29Å; R29-D307 WeakPolarHBondContact CD-OD2 3.22Å; R29-D307 IonicContact CZ-OD2 3.01Å; R29-D307 IonicContact NE-OD2 3.83Å; R29-D307 IonicContact NH1-OD1 3.35Å; R29-D307 PolarHBondContact NH1-OD1 3.34Å; R29-D307 IonicContact NH1-OD2 2.62Å; R29-D307 PolarHBondContact NH1-OD2 2.98Å; F277-D307 HydrophobicContact CZ-CB 4.27Å; F277-D307 WeakPolarHBondContact CZ-OD2 3.08Å; I302-D307 HydrophobicContact CG2-CB 4.34Å; I302-D307 PolarHBondContact O-N 3.06Å; D305-D307 VanDerWaalsContact C-N 3.35Å; D307-C310 HydrophobicContact CB-CB 4.46Å; D307-C310 PolarHBondContact O-N 2.9Å; D307-C310 PolarHBondContact OD1-SG 2.91Å; D307-T311 PolarHBondContact O-N 2.63Å; D307-T311 PolarHBondContact O-OG1 2.91Å
308	V	92	Very high	91.8	Very high	14 Å²	14	30.9 Å²	30.9	9%	0.085	16%	0.155	C	C	.	.	H	α-helix	trans	-58.6	-51.1	176.7	179.7	0	0	0	0	110.7	I302 L303 C310 T311 M312 E602 F603	I302-V308 HydrophobicContact CG2-CG2 4Å; L303-V308 HydrophobicContact CD2-CG2 3.67Å; V308-C310 VanDerWaalsContact C-N 3.3Å; V308-C310 PolarHBondContact O-N 3.4Å; V308-T311 WeakPolarHBondContact O-CB 3.5Å; V308-T311 PolarHBondContact O-N 2.81Å; V308-T311 VanDerWaalsContact O-N 3.11Å; V308-M312 WeakPolarHBondContact O-CG 3.27Å; V308-M312 PolarHBondContact O-N 3.22Å; V308-E602 HydrophobicContact CG1-CB 4.18Å; V308-E602 VanDerWaalsContact CG1-O 3.29Å; V308-E602 WeakPolarHBondContact CG1-O 3.22Å; V308-E602 HydrophobicContact CG2-CB 4.32Å; V308-F603 HydrophobicContact CB-CE1 4.49Å; V308-F603 HydrophobicContact CG1-CD1 4.35Å; V308-F603 HydrophobicContact CG1-CE1 4.12Å; V308-F603 HydrophobicContact CG2-CE1 4Å; V308-F603 HydrophobicContact CG2-CZ 4.02Å
309	D	91.8	Very high	91.9	Very high	100 Å²	100	29.4 Å²	29.4	54%	0.535	15%	0.15	S	C	.	.	H	α-helix	trans	-56.1	-46.3	178.3	-73.8	-32.1	0	0	0	111.5	R31 T311 M312 V313	R31-D309 IonicContact NH2-OD2 3.67Å; D309-T311 VanDerWaalsContact C-N 3.32Å; D309-T311 PolarHBondContact O-N 3.3Å; D309-M312 PolarHBondContact O-N 2.95Å; D309-V313 WeakPolarHBondContact O-CG2 3.45Å; D309-V313 PolarHBondContact O-N 2.92Å
310	C	91.7	Very high	92	Very high	27 Å²	27	30.8 Å²	30.8	18%	0.182	16%	0.157	C	C	.	.	H	α-helix	trans	-62	-40.8	178.9	-56.8	0	0	0	0	111.6	R29 D307 V308 M312 V313 E314	R29-C310 VanDerWaalsContact CZ-SG 3.6Å; R29-C310 PolarHBondContact NH1-SG 2.82Å; R29-C310 VanDerWaalsContact NH1-SG 3.4Å; D307-C310 HydrophobicContact CB-CB 4.46Å; D307-C310 PolarHBondContact O-N 2.9Å; D307-C310 PolarHBondContact OD1-SG 2.91Å; V308-C310 VanDerWaalsContact C-N 3.3Å; V308-C310 PolarHBondContact O-N 3.4Å; C310-M312 VanDerWaalsContact C-N 3.32Å; C310-M312 PolarHBondContact O-N 3.26Å; C310-V313 PolarHBondContact O-N 2.86Å; C310-E314 PolarHBondContact O-N 3.21Å
311	T	94.7	Very high	92.4	Very high	6 Å²	6	29.1 Å²	29.1	4%	0.037	15%	0.148	C	C	.	.	H	α-helix	trans	-63	-39.9	175.3	-54.5	0	0	0	0	111.6	L297 I302 D307 V308 D309 E314 K315 L340 F342 F606	L297-T311 HydrophobicContact CD1-CG2 4.16Å; I302-T311 HydrophobicContact CD1-CG2 4.3Å; D307-T311 PolarHBondContact O-N 2.63Å; D307-T311 PolarHBondContact O-OG1 2.91Å; V308-T311 WeakPolarHBondContact O-CB 3.5Å; V308-T311 PolarHBondContact O-N 2.81Å; V308-T311 VanDerWaalsContact O-N 3.11Å; D309-T311 VanDerWaalsContact C-N 3.32Å; D309-T311 PolarHBondContact O-N 3.3Å; T311-E314 PolarHBondContact O-N 2.82Å; T311-K315 PolarHBondContact O-N 2.95Å; T311-L340 HydrophobicContact CG2-CD1 3.65Å; T311-F342 HydrophobicContact CG2-CE2 4.27Å; T311-F342 HydrophobicContact CG2-CZ 4.26Å; T311-F606 HydrophobicContact CG2-CE2 4.13Å
312	M	95.3	Very high	92.7	Very high	32 Å²	32	28.8 Å²	28.8	16%	0.158	15%	0.149	C	C	.	.	H	α-helix	trans	-72.8	-32.2	177.6	-64.9	-60.7	-90.3	0	0	112.4	V308 D309 C310 R316 Q604 F606	V308-M312 WeakPolarHBondContact O-CG 3.27Å; V308-M312 PolarHBondContact O-N 3.22Å; D309-M312 PolarHBondContact O-N 2.95Å; C310-M312 VanDerWaalsContact C-N 3.32Å; C310-M312 PolarHBondContact O-N 3.26Å; M312-R316 PolarHBondContact O-N 3Å; M312-R316 PolarHBondContact O-NH1 3.48Å; M312-R316 VanDerWaalsContact O-NH1 3.1Å; M312-Q604 WeakPolarHBondContact CE-O 3.41Å; M312-F606 HydrophobicContact SD-CD2 3.95Å
313	V	95.9	Very high	93	Very high	14 Å²	14	34.6 Å²	34.6	9%	0.085	17%	0.174	C	C	.	.	H	α-helix	trans	-63.5	-48.6	168.5	172.1	0	0	0	0	110	D309 C310 K315 R316 V317 C412 E414	D309-V313 WeakPolarHBondContact O-CG2 3.45Å; D309-V313 PolarHBondContact O-N 2.92Å; C310-V313 PolarHBondContact O-N 2.86Å; V313-K315 VanDerWaalsContact C-N 3.27Å; V313-K315 PolarHBondContact O-N 3.43Å; V313-R316 VanDerWaalsContact CG2-NH2 3.35Å; V313-R316 PolarHBondContact O-N 3.16Å; V313-V317 HydrophobicContact CG1-CG2 4Å; V313-V317 WeakPolarHBondContact O-CG2 3.43Å; V313-V317 PolarHBondContact O-N 2.88Å; V313-C412 HydrophobicContact CG1-CB 4.29Å; V313-E414 HydrophobicContact CG1-CB 4.42Å; V313-E414 HydrophobicContact CG1-CG 4.17Å; V313-E414 HydrophobicContact CG2-CG 3.9Å
314	E	96.5	Very high	93.4	Very high	7 Å²	7	33.2 Å²	33.2	3%	0.033	17%	0.166	C	C	.	.	H	α-helix	trans	-52.7	-46.9	176.9	175.7	168.7	-163.7	0	0	110.6	K295 C310 T311 R316 V317 L318 F342 F409 G410	K295-E314 VanDerWaalsContact NZ-CD 3.34Å; K295-E314 IonicContact NZ-OE1 3.92Å; K295-E314 PolarHBondContact NZ-OE1 3.09Å; K295-E314 IonicContact NZ-OE2 3.46Å; K295-E314 PolarHBondContact NZ-OE2 2.83Å; C310-E314 PolarHBondContact O-N 3.21Å; T311-E314 PolarHBondContact O-N 2.82Å; E314-R316 PolarHBondContact O-N 3.05Å; E314-V317 PolarHBondContact O-N 3.29Å; E314-L318 HydrophobicContact CG-CD1 3.72Å; E314-L318 HydrophobicContact CG-CG 4.31Å; E314-L318 WeakPolarHBondContact O-CB 3.37Å; E314-L318 WeakPolarHBondContact O-CG 3.25Å; E314-L318 PolarHBondContact O-N 2.9Å; E314-F342 HydrophobicContact CG-CE2 4.37Å; E314-F342 HydrophobicContact CG-CZ 4.23Å; E314-F409 HydrophobicContact CG-CB 4.22Å; E314-G410 WeakPolarHBondContact OE2-CA 3.42Å
315	K	96.9	Very high	94.1	Very high	25 Å²	25	32.3 Å²	32.3	11%	0.109	17%	0.165	C	C	.	.	H	α-helix	trans	-53.3	-49.2	173.9	179.2	-178	161.6	170.8	0	113	T311 V313 T319 F342 N605 F606 F608	T311-K315 PolarHBondContact O-N 2.95Å; V313-K315 VanDerWaalsContact C-N 3.27Å; V313-K315 PolarHBondContact O-N 3.43Å; K315-T319 WeakPolarHBondContact O-CB 3.38Å; K315-T319 PolarHBondContact O-N 2.81Å; K315-T319 PolarHBondContact O-OG1 3.12Å; K315-F342 HydrophobicContact CB-CE1 3.64Å; K315-F342 HydrophobicContact CB-CZ 4.04Å; K315-F342 HydrophobicContact CG-CE1 4.15Å; K315-N605 PolarHBondContact NZ-O 3.21Å; K315-F606 HydrophobicContact CD-CD2 4.43Å; K315-F606 WeakPolarHBondContact CE-O 3.43Å; K315-F606 PolarHBondContact NZ-O 3.29Å; K315-F608 VanDerWaalsContact NZ-CB 3.29Å
316	R	97	Very high	94.9	Very high	108 Å²	108	30.5 Å²	30.5	41%	0.408	16%	0.155	S	C	.	.	H	α-helix	trans	-66.8	-42.4	-177.4	-72.7	-172.1	-66.3	-84	10	111.6	M312 V313 E314 T319 L320 E414	M312-R316 PolarHBondContact O-N 3Å; M312-R316 PolarHBondContact O-NH1 3.48Å; M312-R316 VanDerWaalsContact O-NH1 3.1Å; V313-R316 VanDerWaalsContact CG2-NH2 3.35Å; V313-R316 PolarHBondContact O-N 3.16Å; E314-R316 PolarHBondContact O-N 3.05Å; R316-T319 WeakPolarHBondContact O-CB 3.46Å; R316-T319 PolarHBondContact O-N 2.55Å; R316-L320 PolarHBondContact O-N 3.36Å; R316-E414 IonicContact CZ-OE1 3.32Å; R316-E414 IonicContact CZ-OE2 3.89Å; R316-E414 IonicContact NE-OE1 3.62Å; R316-E414 PolarHBondContact NE-OE1 3.36Å; R316-E414 IonicContact NE-OE2 3.25Å; R316-E414 PolarHBondContact NE-OE2 3.14Å; R316-E414 VanDerWaalsContact NH2-CD 3.3Å; R316-E414 IonicContact NH2-OE1 3.14Å; R316-E414 PolarHBondContact NH2-OE1 3.46Å; R316-E414 IonicContact NH2-OE2 2.66Å; R316-E414 PolarHBondContact NH2-OE2 3.41Å
317	V	97.8	Very high	95.7	Very high	1 Å²	1	28 Å²	28	1%	0.006	14%	0.142	C	C	.	.	H	α-helix	trans	-65.2	-47.1	177.8	178.9	0	0	0	0	110.8	V313 E314 T319 L320 A321 L381 I386 F409 C412	V313-V317 HydrophobicContact CG1-CG2 4Å; V313-V317 WeakPolarHBondContact O-CG2 3.43Å; V313-V317 PolarHBondContact O-N 2.88Å; E314-V317 PolarHBondContact O-N 3.29Å; V317-T319 VanDerWaalsContact C-N 3.26Å; V317-T319 PolarHBondContact O-N 2.84Å; V317-L320 CarbonylContact O-C 3.28Å; V317-L320 PolarHBondContact O-N 3.09Å; V317-L320 VanDerWaalsContact O-N 3.14Å; V317-A321 VanDerWaalsContact O-CB 3.28Å; V317-A321 WeakPolarHBondContact O-CB 3.06Å; V317-A321 PolarHBondContact O-N 2.93Å; V317-L381 HydrophobicContact CG1-CD2 4.03Å; V317-I386 HydrophobicContact CG1-CG2 4.33Å; V317-I386 HydrophobicContact CG2-CD1 3.96Å; V317-I386 HydrophobicContact CG2-CG1 4.26Å; V317-I386 HydrophobicContact CG2-CG2 3.92Å; V317-F409 HydrophobicContact CB-CB 4.25Å; V317-F409 HydrophobicContact CB-CG 4.49Å; V317-F409 HydrophobicContact CG1-CB 3.95Å; V317-F409 HydrophobicContact CG1-CD1 3.45Å; V317-F409 VanDerWaalsContact CG1-CD1 3.45Å; V317-F409 HydrophobicContact CG1-CE1 4.11Å; V317-F409 HydrophobicContact CG1-CG 3.76Å; V317-C412 HydrophobicContact CG2-CB 4Å
318	L	96.9	Very high	96.1	Very high	1 Å²	1	28 Å²	28	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-59.3	-35.4	175.9	-91.1	174.7	0	0	0	113	E314 L330 F342 M344 F409	E314-L318 HydrophobicContact CG-CD1 3.72Å; E314-L318 HydrophobicContact CG-CG 4.31Å; E314-L318 WeakPolarHBondContact O-CB 3.37Å; E314-L318 WeakPolarHBondContact O-CG 3.25Å; E314-L318 PolarHBondContact O-N 2.9Å; L318-L330 HydrophobicContact CB-CB 3.97Å; L318-L330 HydrophobicContact CB-CD1 4.46Å; L318-L330 HydrophobicContact CB-CD2 4.22Å; L318-L330 HydrophobicContact CB-CG 4.45Å; L318-L330 HydrophobicContact CD1-CD1 4.32Å; L318-L330 WeakPolarHBondContact O-CB 3.37Å; L318-L330 PolarHBondContact O-N 2.97Å; L318-F342 HydrophobicContact CD1-CB 4.45Å; L318-F342 HydrophobicContact CD1-CD1 3.83Å; L318-F342 HydrophobicContact CD1-CE1 4.18Å; L318-F342 HydrophobicContact CD1-CG 4.09Å; L318-M344 HydrophobicContact CD1-SD 4.07Å; L318-M344 HydrophobicContact CD2-CG 4.4Å; L318-M344 HydrophobicContact CD2-SD 3.98Å; L318-F409 HydrophobicContact CD2-CD2 3.4Å; L318-F409 HydrophobicContact CD2-CE2 3.63Å; L318-F409 HydrophobicContact CG-CD2 3.65Å; L318-F409 HydrophobicContact CG-CE2 4.33Å; L318-F409 HydrophobicContact CG-CG 4.46Å
319	T	96.7	Very high	96.2	Very high	16 Å²	16	27.9 Å²	27.9	10%	0.098	14%	0.142	C	C	.	.	H	α-helix	trans	-66.3	-48.1	174.1	-58.2	0	0	0	0	110.8	K315 R316 V317 A321 F608 N610	K315-T319 WeakPolarHBondContact O-CB 3.38Å; K315-T319 PolarHBondContact O-N 2.81Å; K315-T319 PolarHBondContact O-OG1 3.12Å; R316-T319 WeakPolarHBondContact O-CB 3.46Å; R316-T319 PolarHBondContact O-N 2.55Å; V317-T319 VanDerWaalsContact C-N 3.26Å; V317-T319 PolarHBondContact O-N 2.84Å; T319-A321 VanDerWaalsContact C-N 3.33Å; T319-A321 PolarHBondContact O-N 2.58Å; T319-F608 HydrophobicContact CG2-CE1 3.7Å; T319-F608 HydrophobicContact CG2-CZ 3.89Å; T319-N610 PolarHBondContact O-ND2 2.85Å
320	L	96.8	Very high	96.5	Very high	30 Å²	30	23.1 Å²	23.1	16%	0.157	12%	0.117	C	C	.	.	H	α-helix	trans	-65.2	-35.3	178	177.7	66.7	0	0	0	112.5	R316 V317 A322 K323 F380 H384 I386	R316-L320 PolarHBondContact O-N 3.36Å; V317-L320 CarbonylContact O-C 3.28Å; V317-L320 PolarHBondContact O-N 3.09Å; V317-L320 VanDerWaalsContact O-N 3.14Å; L320-A322 PolarHBondContact O-N 2.92Å; L320-A322 VanDerWaalsContact O-N 3.13Å; L320-K323 HydrophobicContact CD1-CD 4.29Å; L320-K323 WeakPolarHBondContact O-CB 3.48Å; L320-K323 PolarHBondContact O-N 3.49Å; L320-F380 HydrophobicContact CD1-CE1 4.46Å; L320-F380 HydrophobicContact CD1-CZ 3.99Å; L320-F380 HydrophobicContact CD2-CE1 4.17Å; L320-F380 HydrophobicContact CD2-CZ 4.45Å; L320-F380 HydrophobicContact CG-CE1 3.88Å; L320-F380 HydrophobicContact CG-CZ 3.92Å; L320-H384 HydrophobicContact CD2-CB 3.72Å; L320-I386 HydrophobicContact CD2-CD1 3.62Å
321	A	97	Very high	96.7	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-57.4	-26	-178.2	0	0	0	0	0	113.5	V317 T319 K323 H324 L327 T328 F409	V317-A321 VanDerWaalsContact O-CB 3.28Å; V317-A321 WeakPolarHBondContact O-CB 3.06Å; V317-A321 PolarHBondContact O-N 2.93Å; T319-A321 VanDerWaalsContact C-N 3.33Å; T319-A321 PolarHBondContact O-N 2.58Å; A321-K323 PolarHBondContact O-N 3.06Å; A321-H324 PolarHBondContact O-N 3.37Å; A321-L327 HydrophobicContact CB-CB 3.68Å; A321-L327 HydrophobicContact CB-CD1 4.01Å; A321-L327 HydrophobicContact CB-CG 4.49Å; A321-T328 WeakPolarHBondContact CB-O 3.43Å; A321-F409 HydrophobicContact CB-CE2 4.35Å; A321-F409 HydrophobicContact CB-CZ 4.17Å
322	A	95.8	Very high	96.8	Very high	25 Å²	25	22.5 Å²	22.5	21%	0.207	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-17.1	174	0	0	0	0	0	113.8	L320 A329 D612	L320-A322 PolarHBondContact O-N 2.92Å; L320-A322 VanDerWaalsContact O-N 3.13Å; A322-A329 HydrophobicContact CB-CB 3.95Å; A322-D612 HydrophobicContact CB-CB 4.2Å
323	K	96.2	Very high	97	Very high	122 Å²	122	21.1 Å²	21.1	53%	0.53	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	3.9	178.9	-58	-174.1	-178.8	178.2	0	114.3	L320 A321 F380 D612	L320-K323 HydrophobicContact CD1-CD 4.29Å; L320-K323 WeakPolarHBondContact O-CB 3.48Å; L320-K323 PolarHBondContact O-N 3.49Å; A321-K323 PolarHBondContact O-N 3.06Å; K323-F380 HydrophobicContact CB-CE2 4.42Å; K323-F380 HydrophobicContact CB-CZ 4.08Å; K323-D612 WeakPolarHBondContact CE-OD2 3.29Å; K323-D612 IonicContact NZ-OD2 3.27Å; K323-D612 PolarHBondContact NZ-OD2 2.68Å
324	H	97.5	Very high	97	Very high	18 Å²	18	20.5 Å²	20.5	8%	0.083	10%	0.101	C	C	.	.	S	Bend	trans	-131.3	133.2	-177.8	-162.6	-91.5	0	0	0	111.7	A321 F326 L327 S376 A377 F380	A321-H324 PolarHBondContact O-N 3.37Å; H324-F326 AromaticContact CE1-CD2 3.73Å; H324-F326 PolarHBondContact ND1-N 3Å; H324-F326 PolarHBondContact O-N 3.22Å; H324-L327 HydrophobicContact CB-CB 4.31Å; H324-L327 HydrophobicContact CB-CD1 3.82Å; H324-L327 HydrophobicContact CB-CG 3.95Å; H324-L327 PolarHBondContact O-N 3.42Å; H324-S376 PolarHBondContact CE1-OG 3.32Å; H324-S376 PolarHBondContact NE2-OG 2.87Å; H324-A377 VanDerWaalsContact CE1-CA 3.47Å; H324-A377 WeakPolarHBondContact CE1-CA 3.17Å; H324-A377 PolarHBondContact CE1-N 2.81Å; H324-F380 HydrophobicContact CB-CD1 4.04Å; H324-F380 HydrophobicContact CB-CD2 4.33Å; H324-F380 HydrophobicContact CB-CE1 4.16Å; H324-F380 HydrophobicContact CB-CE2 4.43Å; H324-F380 HydrophobicContact CB-CG 4.13Å; H324-F380 HydrophobicContact CB-CZ 4.36Å; H324-F380 AromaticContact CD2-CD2 3.66Å; H324-F380 AromaticContact CD2-CG 3.55Å; H324-F380 AromaticContact CG-CG 3.96Å
325	P	96.9	Very high	97.1	Very high	37 Å²	37	22.8 Å²	22.8	24%	0.24	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-29.2	-174.2	26.1	-38.4	0	0	0	113.9	K405 E534 K536	P325-K405 WeakPolarHBondContact O-CE 3.43Å; P325-K405 PolarHBondContact O-NZ 3.14Å; P325-E534 WeakPolarHBondContact CG-O 3.49Å; P325-K536 HydrophobicContact CB-CD 4.45Å; P325-K536 HydrophobicContact CB-CG 4.22Å; P325-K536 WeakPolarHBondContact O-CE 3.4Å
326	F	98.4	Very high	97	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	15.4	-172.3	-53	-46.4	0	0	0	114.2	H324 E373 A377 H403 V404 K405 L406 L533 E534 K536	H324-F326 AromaticContact CE1-CD2 3.73Å; H324-F326 PolarHBondContact ND1-N 3Å; H324-F326 PolarHBondContact O-N 3.22Å; F326-E373 HydrophobicContact CD1-CB 4.09Å; F326-E373 HydrophobicContact CD1-CG 4.26Å; F326-E373 HydrophobicContact CD2-CB 3.83Å; F326-E373 HydrophobicContact CD2-CG 4.31Å; F326-E373 WeakPolarHBondContact CD2-O 3.43Å; F326-E373 HydrophobicContact CE1-CB 4.15Å; F326-E373 VanDerWaalsContact CE1-CD 3.45Å; F326-E373 HydrophobicContact CE1-CG 3.82Å; F326-E373 WeakPolarHBondContact CE1-OE1 3.46Å; F326-E373 HydrophobicContact CE2-CB 3.9Å; F326-E373 HydrophobicContact CE2-CG 3.89Å; F326-E373 HydrophobicContact CG-CB 3.94Å; F326-E373 HydrophobicContact CG-CG 4.49Å; F326-E373 HydrophobicContact CZ-CB 4.05Å; F326-E373 HydrophobicContact CZ-CG 3.61Å; F326-E373 WeakPolarHBondContact CZ-OE1 3.46Å; F326-A377 HydrophobicContact CB-CB 4.13Å; F326-H403 HydrophobicContact CE1-CB 4.28Å; F326-V404 WeakPolarHBondContact CA-O 3.4Å; F326-V404 HydrophobicContact CB-CG2 4.1Å; F326-V404 HydrophobicContact CD1-CG2 4.32Å; F326-V404 WeakPolarHBondContact CD1-O 3.3Å; F326-V404 HydrophobicContact CG-CG2 4.34Å; F326-K405 WeakPolarHBondContact O-CA 3.4Å; F326-L406 PolarHBondContact O-N 2.89Å; F326-L533 HydrophobicContact CE2-CD2 4.49Å; F326-L533 HydrophobicContact CE2-CG 4.19Å; F326-L533 HydrophobicContact CZ-CG 4.08Å; F326-L533 VanDerWaalsContact CZ-O 3.24Å; F326-L533 WeakPolarHBondContact CZ-O 3.34Å; F326-E534 HydrophobicContact CE2-CG 4.48Å; F326-K536 HydrophobicContact CE1-CG 4.12Å
327	L	98.2	Very high	96.9	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.128	C	C	.	.	B	Isolated β-bridge	trans	-116.6	144.2	172.1	-61.1	-179.8	0	0	0	109.6	A321 H324 A329 A377 F380 L381 K405 L406 F409	A321-L327 HydrophobicContact CB-CB 3.68Å; A321-L327 HydrophobicContact CB-CD1 4.01Å; A321-L327 HydrophobicContact CB-CG 4.49Å; H324-L327 HydrophobicContact CB-CB 4.31Å; H324-L327 HydrophobicContact CB-CD1 3.82Å; H324-L327 HydrophobicContact CB-CG 3.95Å; H324-L327 PolarHBondContact O-N 3.42Å; L327-A329 PolarHBondContact O-N 3.41Å; L327-A377 HydrophobicContact CD2-CB 3.73Å; L327-A377 HydrophobicContact CG-CB 4.32Å; L327-F380 HydrophobicContact CD1-CD1 3.65Å; L327-F380 HydrophobicContact CD1-CE1 3.93Å; L327-L381 HydrophobicContact CD1-CD2 3.89Å; L327-L381 HydrophobicContact CD1-CG 4.21Å; L327-L381 HydrophobicContact CD2-CD1 4.34Å; L327-K405 VanDerWaalsContact O-CD 3.26Å; L327-K405 WeakPolarHBondContact O-CD 3.26Å; L327-K405 PolarHBondContact O-NZ 2.57Å; L327-L406 HydrophobicContact CD2-CB 3.77Å; L327-L406 HydrophobicContact CD2-CD1 3.98Å; L327-L406 HydrophobicContact CD2-CG 4.14Å; L327-F409 HydrophobicContact CB-CZ 4.08Å; L327-F409 HydrophobicContact CD2-CE1 3.95Å; L327-F409 HydrophobicContact CD2-CZ 3.96Å; L327-F409 HydrophobicContact CG-CZ 4.49Å
328	T	97.2	Very high	96.8	Very high	6 Å²	6	27.5 Å²	27.5	4%	0.037	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-68.7	126.6	173.3	-58.4	0	0	0	0	110.6	A321 M344 E345 L406	A321-T328 WeakPolarHBondContact CB-O 3.43Å; T328-M344 HydrophobicContact CG2-CB 4.22Å; T328-E345 WeakPolarHBondContact CA-OE1 3.39Å; T328-E345 HydrophobicContact CG2-CG 3.81Å; T328-L406 PolarHBondContact N-O 3Å; T328-L406 PolarHBondContact OG1-O 2.78Å; T328-L406 VanDerWaalsContact OG1-O 3.1Å
329	A	95.1	Very high	96.8	Very high	10 Å²	10	28.2 Å²	28.2	8%	0.083	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-92.2	138.6	-175.3	0	0	0	0	0	112.8	A322 L327 M344 E345 Y613	A322-A329 HydrophobicContact CB-CB 3.95Å; L327-A329 PolarHBondContact O-N 3.41Å; A329-M344 WeakPolarHBondContact O-CA 3.39Å; A329-E345 HydrophobicContact CB-CG 4.46Å; A329-E345 WeakPolarHBondContact CB-OE1 3.44Å; A329-E345 PolarHBondContact N-OE1 3.15Å; A329-E345 PolarHBondContact O-N 2.79Å; A329-Y613 HydrophobicContact CB-CD2 3.9Å; A329-Y613 HydrophobicContact CB-CE2 4.04Å
330	L	97.4	Very high	96.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	126.8	171.7	-170.6	68.5	0	0	0	111.4	L318 S332 F342 V343 M344 N610 Y613	L318-L330 HydrophobicContact CB-CB 3.97Å; L318-L330 HydrophobicContact CB-CD1 4.46Å; L318-L330 HydrophobicContact CB-CD2 4.22Å; L318-L330 HydrophobicContact CB-CG 4.45Å; L318-L330 HydrophobicContact CD1-CD1 4.32Å; L318-L330 WeakPolarHBondContact O-CB 3.37Å; L318-L330 PolarHBondContact O-N 2.97Å; L330-S332 WeakPolarHBondContact CD1-O 2.83Å; L330-F342 HydrophobicContact CD1-CB 4.01Å; L330-F342 HydrophobicContact CD1-CD1 3.79Å; L330-F342 HydrophobicContact CD1-CG 4.41Å; L330-V343 WeakPolarHBondContact CD1-O 3.49Å; L330-M344 HydrophobicContact CD1-CG 3.97Å; L330-N610 WeakPolarHBondContact O-CB 3.25Å; L330-N610 PolarHBondContact O-ND2 2.87Å; L330-Y613 VanDerWaalsContact C-CD2 3.45Å; L330-Y613 WeakPolarHBondContact O-CB 3.19Å; L330-Y613 VanDerWaalsContact O-CD2 3.28Å; L330-Y613 WeakPolarHBondContact O-CD2 3.02Å
331	H	96.8	Very high	96.9	Very high	21 Å²	21	26.1 Å²	26.1	10%	0.097	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	-52.6	167.8	169.5	-103	0	0	0	110.9	F261 Y292 V343 N610 Y613	F261-H331 AromaticContact CE2-CE1 3.71Å; F261-H331 AromaticContact CZ-CE1 3.67Å; Y292-H331 HydrophobicContact CD1-CB 4.18Å; Y292-H331 HydrophobicContact CE1-CB 3.81Å; Y292-H331 AromaticContact CE1-CD2 3.96Å; Y292-H331 AromaticContact CE1-CG 3.66Å; H331-V343 WeakPolarHBondContact CA-O 3.16Å; H331-V343 HydrophobicContact CB-CG1 4.22Å; H331-V343 WeakPolarHBondContact CB-O 3.23Å; H331-V343 PolarHBondContact N-O 3.34Å; H331-N610 WeakPolarHBondContact O-CB 3.49Å; H331-N610 PolarHBondContact O-N 3.31Å; H331-Y613 HydrophobicContact CB-CD1 4.05Å; H331-Y613 HydrophobicContact CB-CD2 3.97Å; H331-Y613 HydrophobicContact CB-CE1 4Å; H331-Y613 HydrophobicContact CB-CE2 3.91Å; H331-Y613 HydrophobicContact CB-CG 4.02Å; H331-Y613 AromaticContact CD2-CD1 3.59Å; H331-Y613 AromaticContact CD2-CE1 3.76Å
332	S	97.5	Very high	96.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	170.2	-178.5	64	0	0	0	0	110.8	L330 V343 F608	L330-S332 WeakPolarHBondContact CD1-O 2.83Å; S332-V343 PolarHBondContact N-O 2.7Å; S332-V343 VanDerWaalsContact N-O 3.15Å; S332-V343 WeakPolarHBondContact O-CA 3.29Å; S332-V343 WeakPolarHBondContact O-CB 3.38Å; S332-V343 PolarHBondContact O-N 2.97Å; S332-V343 WeakPolarHBondContact OG-CB 3.03Å; S332-F608 CarbonylContact C-O 3.55Å; S332-F608 VanDerWaalsContact CA-O 3.3Å; S332-F608 WeakPolarHBondContact CA-O 3.33Å; S332-F608 WeakPolarHBondContact CB-O 3.2Å
333	C	97.5	Very high	97	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.014	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	146.1	170.3	51	0	0	0	0	110.1	F341 F342 F606 T607 F608	C333-F341 CarbonylContact C-O 3.59Å; C333-F341 WeakPolarHBondContact CA-O 3.45Å; C333-F341 VanDerWaalsContact CB-O 3.22Å; C333-F341 WeakPolarHBondContact CB-O 3.42Å; C333-F342 HydrophobicContact CB-CD1 3.96Å; C333-F342 HydrophobicContact CB-CE1 4.35Å; C333-F606 HydrophobicContact CB-CD1 4.33Å; C333-F606 HydrophobicContact CB-CE1 3.67Å; C333-F606 HydrophobicContact CB-CZ 3.95Å; C333-F606 PolarHBondContact SG-O 3.22Å; C333-T607 CarbonylContact O-C 3.55Å; C333-T607 VanDerWaalsContact O-CA 3.29Å; C333-T607 WeakPolarHBondContact O-CA 3.45Å; C333-F608 PolarHBondContact N-O 3.06Å; C333-F608 PolarHBondContact O-N 3.29Å
334	F	97.6	Very high	97.1	Very high	2 Å²	2	20 Å²	20	1%	0.009	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	172.5	-179.7	66	-91.6	0	0	0	110.1	F261 V263 F266 F341 V343 F606 T607	F261-F334 HydrophobicContact CB-CD1 3.97Å; F261-F334 HydrophobicContact CB-CE1 4.49Å; F261-F334 HydrophobicContact CB-CG 4.45Å; F261-F334 VanDerWaalsContact O-CB 3.27Å; F261-F334 WeakPolarHBondContact O-CB 3.48Å; F261-F334 WeakPolarHBondContact O-CG 3.33Å; V263-F334 HydrophobicContact CB-CE2 4.49Å; V263-F334 HydrophobicContact CG2-CE2 3.76Å; V263-F334 HydrophobicContact CG2-CZ 4.44Å; F266-F334 AromaticContact CD2-CE1 3.92Å; F266-F334 HydrophobicContact CD2-CE1 3.92Å; F266-F334 HydrophobicContact CD2-CZ 4.05Å; F266-F334 HydrophobicContact CE2-CD1 4.33Å; F266-F334 AromaticContact CE2-CE1 3.52Å; F266-F334 HydrophobicContact CE2-CE1 3.52Å; F266-F334 HydrophobicContact CE2-CZ 4.11Å; F266-F334 HydrophobicContact CZ-CE1 4.49Å; F334-F341 HydrophobicContact CD1-CB 4.01Å; F334-F341 HydrophobicContact CD2-CB 4.03Å; F334-F341 AromaticContact CD2-CD2 3.65Å; F334-F341 HydrophobicContact CD2-CD2 3.65Å; F334-F341 HydrophobicContact CD2-CE2 4.43Å; F334-F341 HydrophobicContact CD2-CG 4.06Å; F334-F341 HydrophobicContact CE1-CB 3.71Å; F334-F341 HydrophobicContact CE1-CG 4.24Å; F334-F341 HydrophobicContact CE2-CB 3.72Å; F334-F341 HydrophobicContact CE2-CD1 4.17Å; F334-F341 AromaticContact CE2-CD2 3.26Å; F334-F341 HydrophobicContact CE2-CD2 3.26Å; F334-F341 AromaticContact CE2-CE2 3.86Å; F334-F341 HydrophobicContact CE2-CE2 3.86Å; F334-F341 AromaticContact CE2-CG 3.45Å; F334-F341 HydrophobicContact CE2-CG 3.45Å; F334-F341 VanDerWaalsContact CE2-CG 3.45Å; F334-F341 HydrophobicContact CG-CB 4.16Å; F334-F341 HydrophobicContact CZ-CB 3.56Å; F334-F341 HydrophobicContact CZ-CD1 4.03Å; F334-F341 AromaticContact CZ-CD2 3.91Å; F334-F341 HydrophobicContact CZ-CD2 3.91Å; F334-F341 AromaticContact CZ-CG 3.56Å; F334-F341 HydrophobicContact CZ-CG 3.56Å; F334-F341 PolarHBondContact N-O 3.48Å; F334-F341 PolarHBondContact O-N 3.05Å; F334-V343 HydrophobicContact CD1-CG2 3.98Å; F334-V343 HydrophobicContact CE1-CG2 3.56Å; F334-F606 VanDerWaalsContact O-CE1 3.25Å; F334-F606 WeakPolarHBondContact O-CE1 3.43Å; F334-T607 HydrophobicContact CB-CG2 4.25Å
335	Q	96.9	Very high	97	Very high	54 Å²	54	20.9 Å²	20.9	25%	0.252	11%	0.106	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	155.4	-175.7	61	-177.4	-44	0	0	112.6	Y339 L340 F603 F606	Q335-Y339 CarbonylContact C-O 2.98Å; Q335-Y339 VanDerWaalsContact CA-O 3.24Å; Q335-Y339 WeakPolarHBondContact CA-O 3.14Å; Q335-Y339 WeakPolarHBondContact CB-O 3.3Å; Q335-L340 HydrophobicContact CB-CD2 3.64Å; Q335-F603 PolarHBondContact NE2-O 3.36Å; Q335-F606 HydrophobicContact CB-CD1 4.18Å
336	T	95.9	Very high	96.9	Very high	44 Å²	44	20.6 Å²	20.6	27%	0.27	10%	0.101	S	C	.	.			trans	-112	-172.3	164.6	66.3	0	0	0	0	109.4	V263 K299 E338 Y339 F341	V263-T336 HydrophobicContact CG2-CG2 3.72Å; K299-T336 WeakPolarHBondContact CE-O 3.32Å; K299-T336 PolarHBondContact NZ-O 3.5Å; T336-E338 VanDerWaalsContact CB-OE2 3.25Å; T336-E338 WeakPolarHBondContact CB-OE2 3.44Å; T336-E338 PolarHBondContact O-N 2.91Å; T336-E338 PolarHBondContact OG1-N 2.76Å; T336-E338 PolarHBondContact OG1-OE2 3.18Å; T336-Y339 PolarHBondContact N-O 2.83Å; T336-Y339 PolarHBondContact OG1-N 2.89Å; T336-Y339 VanDerWaalsContact OG1-N 3.09Å; T336-F341 HydrophobicContact CG2-CE2 3.91Å
337	E	95.3	Very high	96.8	Very high	128 Å²	128	20.8 Å²	20.8	60%	0.598	10%	0.102	S	C	*	.	S	Bend	trans	-64.6	-28	174.6	-63	-172	172.1	0	0	112.1	K299 V595 Q600	K299-E337 WeakPolarHBondContact CD-O 3.37Å; E337-V595 HydrophobicContact CB-CG1 3.71Å; E337-Q600 PolarHBondContact O-NE2 3.47Å
338	E	94.9	Very high	96.4	Very high	62 Å²	62	21.7 Å²	21.7	29%	0.29	11%	0.108	S	C	.	.	S	Bend	trans	-106.5	-29.1	-172.5	-39.7	83.6	170.1	0	0	113.5	K299 T336 V590 V595	K299-E338 WeakPolarHBondContact CB-O 3.47Å; K299-E338 PolarHBondContact N-O 2.99Å; T336-E338 VanDerWaalsContact CB-OE2 3.25Å; T336-E338 WeakPolarHBondContact CB-OE2 3.44Å; T336-E338 PolarHBondContact O-N 2.91Å; T336-E338 PolarHBondContact OG1-N 2.76Å; T336-E338 PolarHBondContact OG1-OE2 3.18Å; E338-V590 HydrophobicContact CB-CB 4.24Å; E338-V590 HydrophobicContact CB-CG2 4.07Å; E338-V590 HydrophobicContact CG-CB 4.41Å; E338-V595 HydrophobicContact CB-CG2 4.28Å; E338-V595 HydrophobicContact CG-CB 4.44Å; E338-V595 HydrophobicContact CG-CG1 4.02Å; E338-V595 HydrophobicContact CG-CG2 3.49Å; E338-V595 VanDerWaalsContact CG-CG2 3.49Å
339	Y	97	Very high	96.2	Very high	16 Å²	16	21.4 Å²	21.4	6%	0.063	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	149.8	-167.8	-76.8	-84.5	0	0	0	114	A296 L297 K298 Q335 T336 F341 L587 S588 V590	A296-Y339 HydrophobicContact CB-CD1 4.3Å; L297-Y339 CarbonylContact O-C 3.51Å; L297-Y339 VanDerWaalsContact O-CA 3.29Å; L297-Y339 WeakPolarHBondContact O-CA 3.31Å; L297-Y339 WeakPolarHBondContact O-CD1 3.07Å; K298-Y339 HydrophobicContact CB-CE1 4.37Å; K298-Y339 WeakPolarHBondContact CE-OH 3.45Å; K298-Y339 HydrophobicContact CG-CD1 4.18Å; K298-Y339 HydrophobicContact CG-CE1 3.39Å; Q335-Y339 CarbonylContact C-O 2.98Å; Q335-Y339 VanDerWaalsContact CA-O 3.24Å; Q335-Y339 WeakPolarHBondContact CA-O 3.14Å; Q335-Y339 WeakPolarHBondContact CB-O 3.3Å; T336-Y339 PolarHBondContact N-O 2.83Å; T336-Y339 PolarHBondContact OG1-N 2.89Å; T336-Y339 VanDerWaalsContact OG1-N 3.09Å; Y339-F341 VanDerWaalsContact CB-CZ 3.46Å; Y339-F341 HydrophobicContact CG-CE2 4.31Å; Y339-F341 HydrophobicContact CG-CZ 4.01Å; Y339-L587 HydrophobicContact CD2-CD1 4.36Å; Y339-L587 HydrophobicContact CE2-CB 4.25Å; Y339-L587 HydrophobicContact CE2-CD1 4.45Å; Y339-S588 PolarHBondContact OH-N 3.01Å; Y339-S588 PolarHBondContact OH-O 2.9Å; Y339-V590 HydrophobicContact CE2-CG2 4.1Å
340	L	97.6	Very high	96.1	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	141.3	160.9	-57.5	-179.7	0	0	0	109.4	A296 L297 K299 I302 T311 Q335 F603 F606	A296-L340 CarbonylContact C-O 3.54Å; A296-L340 WeakPolarHBondContact CA-O 3.49Å; L297-L340 HydrophobicContact CB-CB 4.38Å; L297-L340 PolarHBondContact N-O 2.68Å; L297-L340 PolarHBondContact O-N 3.33Å; K299-L340 HydrophobicContact CD-CD2 4.41Å; K299-L340 HydrophobicContact CG-CD2 4.21Å; K299-L340 HydrophobicContact CG-CG 3.98Å; I302-L340 HydrophobicContact CD1-CD1 3.69Å; I302-L340 HydrophobicContact CD1-CG 4.42Å; T311-L340 HydrophobicContact CG2-CD1 3.65Å; Q335-L340 HydrophobicContact CB-CD2 3.64Å; L340-F603 HydrophobicContact CD1-CD1 3.6Å; L340-F603 HydrophobicContact CD1-CE1 3.74Å; L340-F603 HydrophobicContact CD1-CG 4.43Å; L340-F603 HydrophobicContact CD2-CB 4.17Å; L340-F603 HydrophobicContact CD2-CD1 4.11Å; L340-F603 HydrophobicContact CD2-CG 4.15Å; L340-F603 HydrophobicContact CG-CD1 4.33Å; L340-F606 HydrophobicContact CB-CD1 4.37Å; L340-F606 HydrophobicContact CB-CE1 3.8Å; L340-F606 HydrophobicContact CB-CE2 4.11Å; L340-F606 HydrophobicContact CB-CZ 3.67Å; L340-F606 HydrophobicContact CD1-CD2 4Å; L340-F606 HydrophobicContact CD1-CE2 3.87Å; L340-F606 HydrophobicContact CD1-CZ 4.3Å; L340-F606 HydrophobicContact CD2-CB 4.31Å; L340-F606 HydrophobicContact CD2-CD1 3.77Å; L340-F606 HydrophobicContact CD2-CD2 4.1Å; L340-F606 HydrophobicContact CD2-CE1 4.09Å; L340-F606 HydrophobicContact CD2-CE2 4.4Å; L340-F606 HydrophobicContact CD2-CG 3.79Å; L340-F606 HydrophobicContact CD2-CZ 4.41Å; L340-F606 HydrophobicContact CG-CD2 4.49Å; L340-F606 HydrophobicContact CG-CE1 4.43Å; L340-F606 HydrophobicContact CG-CE2 4.37Å; L340-F606 HydrophobicContact CG-CZ 4.35Å
341	F	98	Very high	95.9	Very high	1 Å²	1	21.6 Å²	21.6	0%	0.004	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	124.6	-178.7	-62	-91.4	0	0	0	111.1	V263 F268 I294 K295 A296 C333 F334 T336 Y339 L587	V263-F341 HydrophobicContact CG2-CD2 4.5Å; V263-F341 HydrophobicContact CG2-CE1 4.31Å; V263-F341 HydrophobicContact CG2-CE2 3.75Å; V263-F341 HydrophobicContact CG2-CZ 3.63Å; F268-F341 HydrophobicContact CZ-CE1 4.16Å; I294-F341 HydrophobicContact CG2-CB 4.28Å; I294-F341 HydrophobicContact CG2-CD1 3.81Å; K295-F341 WeakPolarHBondContact O-CA 3.44Å; A296-F341 HydrophobicContact CB-CD1 3.73Å; A296-F341 HydrophobicContact CB-CE1 3.59Å; C333-F341 CarbonylContact C-O 3.59Å; C333-F341 WeakPolarHBondContact CA-O 3.45Å; C333-F341 VanDerWaalsContact CB-O 3.22Å; C333-F341 WeakPolarHBondContact CB-O 3.42Å; F334-F341 HydrophobicContact CD1-CB 4.01Å; F334-F341 HydrophobicContact CD2-CB 4.03Å; F334-F341 AromaticContact CD2-CD2 3.65Å; F334-F341 HydrophobicContact CD2-CD2 3.65Å; F334-F341 HydrophobicContact CD2-CE2 4.43Å; F334-F341 HydrophobicContact CD2-CG 4.06Å; F334-F341 HydrophobicContact CE1-CB 3.71Å; F334-F341 HydrophobicContact CE1-CG 4.24Å; F334-F341 HydrophobicContact CE2-CB 3.72Å; F334-F341 HydrophobicContact CE2-CD1 4.17Å; F334-F341 AromaticContact CE2-CD2 3.26Å; F334-F341 HydrophobicContact CE2-CD2 3.26Å; F334-F341 AromaticContact CE2-CE2 3.86Å; F334-F341 HydrophobicContact CE2-CE2 3.86Å; F334-F341 AromaticContact CE2-CG 3.45Å; F334-F341 HydrophobicContact CE2-CG 3.45Å; F334-F341 VanDerWaalsContact CE2-CG 3.45Å; F334-F341 HydrophobicContact CG-CB 4.16Å; F334-F341 HydrophobicContact CZ-CB 3.56Å; F334-F341 HydrophobicContact CZ-CD1 4.03Å; F334-F341 AromaticContact CZ-CD2 3.91Å; F334-F341 HydrophobicContact CZ-CD2 3.91Å; F334-F341 AromaticContact CZ-CG 3.56Å; F334-F341 HydrophobicContact CZ-CG 3.56Å; F334-F341 PolarHBondContact N-O 3.48Å; F334-F341 PolarHBondContact O-N 3.05Å; T336-F341 HydrophobicContact CG2-CE2 3.91Å; Y339-F341 VanDerWaalsContact CB-CZ 3.46Å; Y339-F341 HydrophobicContact CG-CE2 4.31Å; Y339-F341 HydrophobicContact CG-CZ 4.01Å; F341-L587 HydrophobicContact CE1-CD1 3.76Å; F341-L587 HydrophobicContact CE1-CD2 4.29Å; F341-L587 HydrophobicContact CZ-CD1 3.63Å
342	F	97.7	Very high	95.8	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	115.8	165.2	-66.4	-76.8	0	0	0	109.4	I294 K295 L297 T311 E314 K315 L318 L330 C333 M344 F606	I294-F342 CarbonylContact C-O 3.57Å; I294-F342 VanDerWaalsContact CA-O 3.26Å; I294-F342 WeakPolarHBondContact CA-O 3.36Å; K295-F342 HydrophobicContact CB-CB 4.22Å; K295-F342 HydrophobicContact CD-CD2 4.41Å; K295-F342 PolarHBondContact N-O 2.75Å; K295-F342 PolarHBondContact O-N 3.37Å; L297-F342 HydrophobicContact CD1-CD2 4.04Å; L297-F342 HydrophobicContact CD1-CE2 3.65Å; T311-F342 HydrophobicContact CG2-CE2 4.27Å; T311-F342 HydrophobicContact CG2-CZ 4.26Å; E314-F342 HydrophobicContact CG-CE2 4.37Å; E314-F342 HydrophobicContact CG-CZ 4.23Å; K315-F342 HydrophobicContact CB-CE1 3.64Å; K315-F342 HydrophobicContact CB-CZ 4.04Å; K315-F342 HydrophobicContact CG-CE1 4.15Å; L318-F342 HydrophobicContact CD1-CB 4.45Å; L318-F342 HydrophobicContact CD1-CD1 3.83Å; L318-F342 HydrophobicContact CD1-CE1 4.18Å; L318-F342 HydrophobicContact CD1-CG 4.09Å; L330-F342 HydrophobicContact CD1-CB 4.01Å; L330-F342 HydrophobicContact CD1-CD1 3.79Å; L330-F342 HydrophobicContact CD1-CG 4.41Å; C333-F342 HydrophobicContact CB-CD1 3.96Å; C333-F342 HydrophobicContact CB-CE1 4.35Å; F342-M344 HydrophobicContact CB-CG 4.22Å; F342-M344 HydrophobicContact CB-SD 4.27Å; F342-F606 HydrophobicContact CD1-CZ 4.1Å; F342-F606 HydrophobicContact CD2-CZ 4.24Å; F342-F606 AromaticContact CE1-CE2 3.78Å; F342-F606 HydrophobicContact CE1-CE2 3.78Å; F342-F606 AromaticContact CE1-CZ 3.67Å; F342-F606 HydrophobicContact CE1-CZ 3.67Å; F342-F606 HydrophobicContact CE2-CE2 4.01Å; F342-F606 AromaticContact CE2-CZ 3.85Å; F342-F606 HydrophobicContact CE2-CZ 3.85Å; F342-F606 HydrophobicContact CG-CZ 4.37Å; F342-F606 AromaticContact CZ-CE2 3.43Å; F342-F606 HydrophobicContact CZ-CE2 3.43Å; F342-F606 VanDerWaalsContact CZ-CE2 3.43Å; F342-F606 AromaticContact CZ-CZ 3.57Å; F342-F606 HydrophobicContact CZ-CZ 3.57Å
343	V	97.9	Very high	95.6	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	111.7	173.7	-172.9	0	0	0	0	107.9	F266 Y292 I294 L330 H331 S332 F334	F266-V343 HydrophobicContact CE1-CG1 3.93Å; F266-V343 HydrophobicContact CE1-CG2 4.47Å; F266-V343 HydrophobicContact CE2-CG2 4.02Å; F266-V343 HydrophobicContact CZ-CG1 3.94Å; F266-V343 HydrophobicContact CZ-CG2 3.81Å; Y292-V343 HydrophobicContact CD1-CG1 3.74Å; Y292-V343 HydrophobicContact CD2-CG1 4.26Å; Y292-V343 HydrophobicContact CE1-CG1 4.39Å; Y292-V343 HydrophobicContact CG-CG1 3.64Å; I294-V343 HydrophobicContact CD1-CG1 4.37Å; I294-V343 HydrophobicContact CD1-CG2 4.11Å; I294-V343 HydrophobicContact CG1-CB 4.42Å; I294-V343 HydrophobicContact CG1-CG1 4.19Å; I294-V343 HydrophobicContact CG1-CG2 4.19Å; L330-V343 WeakPolarHBondContact CD1-O 3.49Å; H331-V343 WeakPolarHBondContact CA-O 3.16Å; H331-V343 HydrophobicContact CB-CG1 4.22Å; H331-V343 WeakPolarHBondContact CB-O 3.23Å; H331-V343 PolarHBondContact N-O 3.34Å; S332-V343 PolarHBondContact N-O 2.7Å; S332-V343 VanDerWaalsContact N-O 3.15Å; S332-V343 WeakPolarHBondContact O-CA 3.29Å; S332-V343 WeakPolarHBondContact O-CB 3.38Å; S332-V343 PolarHBondContact O-N 2.97Å; S332-V343 WeakPolarHBondContact OG-CB 3.03Å; F334-V343 HydrophobicContact CD1-CG2 3.98Å; F334-V343 HydrophobicContact CE1-CG2 3.56Å
344	M	97.1	Very high	95.1	Very high	19 Å²	19	22.7 Å²	22.7	9%	0.094	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	163.3	-172.7	-56.3	169.6	-64.6	0	0	110.5	Y292 A293 K295 L318 T328 A329 L330 F342	Y292-M344 WeakPolarHBondContact CA-O 3.44Å; Y292-M344 WeakPolarHBondContact CB-O 3.49Å; A293-M344 PolarHBondContact N-O 3.32Å; A293-M344 PolarHBondContact O-N 3.01Å; K295-M344 HydrophobicContact CB-CE 3.69Å; L318-M344 HydrophobicContact CD1-SD 4.07Å; L318-M344 HydrophobicContact CD2-CG 4.4Å; L318-M344 HydrophobicContact CD2-SD 3.98Å; T328-M344 HydrophobicContact CG2-CB 4.22Å; A329-M344 WeakPolarHBondContact O-CA 3.39Å; L330-M344 HydrophobicContact CD1-CG 3.97Å; F342-M344 HydrophobicContact CB-CG 4.22Å; F342-M344 HydrophobicContact CB-SD 4.27Å
345	E	95.5	Very high	94.8	Very high	36 Å²	36	23.1 Å²	23.1	17%	0.168	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	143.2	169.4	65.9	178.3	127.4	0	0	111.3	T328 A329 V347 K405 Y613	T328-E345 WeakPolarHBondContact CA-OE1 3.39Å; T328-E345 HydrophobicContact CG2-CG 3.81Å; A329-E345 HydrophobicContact CB-CG 4.46Å; A329-E345 WeakPolarHBondContact CB-OE1 3.44Å; A329-E345 PolarHBondContact N-OE1 3.15Å; A329-E345 PolarHBondContact O-N 2.79Å; E345-V347 HydrophobicContact CG-CG2 4.02Å; E345-K405 VanDerWaalsContact CD-NZ 3.34Å; E345-K405 WeakPolarHBondContact OE1-CE 3.25Å; E345-K405 IonicContact OE1-NZ 2.82Å; E345-K405 PolarHBondContact OE1-NZ 3.39Å; E345-K405 WeakPolarHBondContact OE2-CE 3.49Å; E345-K405 IonicContact OE2-NZ 3.33Å; E345-K405 PolarHBondContact OE2-NZ 2.91Å; E345-K405 VanDerWaalsContact OE2-NZ 3.14Å; E345-Y613 HydrophobicContact CB-CE2 4.09Å
346	F	95.6	Very high	94.6	Very high	31 Å²	31	20.5 Å²	20.5	14%	0.136	10%	0.101	C	C	.	.			trans	-89	116.4	172.7	175.1	-120.6	0	0	0	110.5	L272 L282 I291 A293 R570 D572 F576	L272-F346 HydrophobicContact CD1-CD2 3.86Å; L272-F346 HydrophobicContact CD1-CE2 3.68Å; L272-F346 HydrophobicContact CD2-CE2 4.1Å; L282-F346 HydrophobicContact CD1-CD1 3.97Å; L282-F346 HydrophobicContact CD1-CD2 3.68Å; L282-F346 HydrophobicContact CD1-CE1 4.02Å; L282-F346 HydrophobicContact CD1-CE2 3.74Å; L282-F346 HydrophobicContact CD1-CG 3.8Å; L282-F346 HydrophobicContact CD1-CZ 3.91Å; I291-F346 HydrophobicContact CG2-CB 3.98Å; I291-F346 HydrophobicContact CG2-CD1 3.78Å; I291-F346 HydrophobicContact CG2-CG 4.01Å; A293-F346 HydrophobicContact CB-CD2 4.45Å; F346-R570 WeakPolarHBondContact CE1-O 3.5Å; F346-D572 WeakPolarHBondContact CZ-O 3.19Å; F346-F576 HydrophobicContact CD2-CZ 4.42Å; F346-F576 HydrophobicContact CE2-CE1 4.34Å; F346-F576 AromaticContact CE2-CE2 3.72Å; F346-F576 HydrophobicContact CE2-CE2 3.72Å; F346-F576 AromaticContact CE2-CZ 3.43Å; F346-F576 HydrophobicContact CE2-CZ 3.43Å; F346-F576 VanDerWaalsContact CE2-CZ 3.43Å; F346-F576 AromaticContact CZ-CE2 3.71Å; F346-F576 HydrophobicContact CZ-CE2 3.71Å; F346-F576 AromaticContact CZ-CZ 3.91Å; F346-F576 HydrophobicContact CZ-CZ 3.91Å
347	V	95.3	Very high	94.2	Very high	5 Å²	5	21.1 Å²	21.1	3%	0.03	10%	0.101	C	C	.	.			trans	-101	105	-179.8	-175.8	0	0	0	0	109.3	E345 L397 L398 D399 K405 F576	E345-V347 HydrophobicContact CG-CG2 4.02Å; V347-L397 HydrophobicContact CB-CB 4.03Å; V347-L397 HydrophobicContact CB-CD1 3.9Å; V347-L397 HydrophobicContact CG1-CB 3.51Å; V347-L397 HydrophobicContact CG1-CD1 4.34Å; V347-L397 HydrophobicContact CG2-CD1 4.26Å; V347-L398 WeakPolarHBondContact CG1-O 3.5Å; V347-D399 HydrophobicContact CG1-CB 4.42Å; V347-K405 HydrophobicContact CG1-CB 4.23Å; V347-K405 HydrophobicContact CG1-CG 4.21Å; V347-K405 HydrophobicContact CG2-CB 4.14Å; V347-K405 HydrophobicContact CG2-CG 4.06Å; V347-F576 VanDerWaalsContact O-CZ 3.31Å; V347-F576 WeakPolarHBondContact O-CZ 3.42Å
348	S	91.8	Very high	93.8	Very high	18 Å²	18	23.8 Å²	23.8	13%	0.126	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-11.8	-160	57.7	0	0	0	0	116.9	G350 N575	S348-G350 VanDerWaalsContact C-N 3.26Å; S348-G350 PolarHBondContact O-N 3.18Å; S348-N575 PolarHBondContact O-ND2 3.07Å
349	G	92.2	Very high	93.6	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	2.4	-174.6	0	0	0	0	0	115.5	Q355 L398 N575	G349-Q355 PolarHBondContact O-NE2 3.34Å; G349-L398 WeakPolarHBondContact CA-O 3.39Å; G349-L398 PolarHBondContact N-O 3.09Å; G349-N575 WeakPolarHBondContact O-CB 3.26Å
350	G	92.4	Very high	93.2	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.01	13%	0.133	C	C	.	.			trans	74.6	-164.1	-173.8	0	0	0	0	0	112.3	S348 L397 L398 N575	S348-G350 VanDerWaalsContact C-N 3.26Å; S348-G350 PolarHBondContact O-N 3.18Å; G350-L397 CarbonylContact O-C 3.58Å; G350-L397 VanDerWaalsContact O-CA 3.29Å; G350-L397 WeakPolarHBondContact O-CA 3.1Å; G350-L398 PolarHBondContact O-N 3.5Å; G350-N575 WeakPolarHBondContact CA-O 3.43Å
351	D	94	Very high	93.1	Very high	13 Å²	13	32.6 Å²	32.6	7%	0.07	15%	0.147	C	C	.	.	B	Isolated β-bridge	trans	-105.6	161	-179.4	59.4	53	0	0	0	112.4	R24 M353 F354 Q355 D394 I396 L397	R24-D351 IonicContact CZ-OD2 2.66Å; R24-D351 IonicContact NH1-OD2 3.48Å; R24-D351 PolarHBondContact NH1-OD2 3.08Å; R24-D351 IonicContact NH2-OD2 2.77Å; D351-M353 PolarHBondContact O-N 2.94Å; D351-M353 WeakPolarHBondContact OD1-CB 3.49Å; D351-M353 PolarHBondContact OD1-N 2.83Å; D351-F354 PolarHBondContact O-N 2.83Å; D351-F354 WeakPolarHBondContact OD1-CB 3.45Å; D351-F354 PolarHBondContact OD1-N 3.27Å; D351-Q355 WeakPolarHBondContact O-CG 3.14Å; D351-Q355 PolarHBondContact O-N 2.95Å; D351-D394 WeakPolarHBondContact CB-O 2.93Å; D351-I396 CarbonylContact C-O 3.58Å; D351-I396 WeakPolarHBondContact CA-O 3.32Å; D351-L397 HydrophobicContact CB-CD2 3.9Å
352	L	95.1	Very high	93	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-65.4	-25.7	177.8	-73.5	-170.7	0	0	0	112.7	Q355 I356 F362 Y370 L393 I396 L398 M457	L352-Q355 PolarHBondContact O-N 2.85Å; L352-I356 PolarHBondContact O-N 3.37Å; L352-F362 HydrophobicContact CD2-CE2 4.3Å; L352-Y370 HydrophobicContact CD1-CD2 4.09Å; L352-Y370 HydrophobicContact CD1-CG 4.25Å; L352-Y370 HydrophobicContact CD2-CD2 3.98Å; L352-Y370 HydrophobicContact CD2-CE1 4.47Å; L352-Y370 HydrophobicContact CD2-CE2 3.68Å; L352-Y370 HydrophobicContact CD2-CG 4.49Å; L352-L393 HydrophobicContact CB-CB 4.33Å; L352-L393 HydrophobicContact CB-CD2 3.81Å; L352-L393 HydrophobicContact CD1-CD2 4.31Å; L352-L393 PolarHBondContact N-O 2.83Å; L352-I396 HydrophobicContact CB-CB 4.37Å; L352-I396 HydrophobicContact CD1-CB 3.86Å; L352-I396 HydrophobicContact CD1-CD1 4.06Å; L352-I396 HydrophobicContact CD1-CG2 3.5Å; L352-I396 HydrophobicContact CG-CB 3.96Å; L352-I396 HydrophobicContact CG-CG2 3.77Å; L352-I396 PolarHBondContact N-O 3.13Å; L352-L398 HydrophobicContact CD2-CD1 3.94Å; L352-L398 HydrophobicContact CD2-CD2 3.81Å; L352-L398 HydrophobicContact CD2-CG 3.94Å; L352-M457 HydrophobicContact CD1-SD 4.4Å
353	M	91.8	Very high	92.9	Very high	9 Å²	9	37.6 Å²	37.6	4%	0.044	17%	0.174	C	C	.	.	H	α-helix	trans	-61.3	-48.2	176	179.4	61	78.5	0	0	110.8	F19 D351 Q355 I356 Q357 L393 D394	F19-M353 HydrophobicContact CD1-SD 3.88Å; F19-M353 HydrophobicContact CE1-SD 4.25Å; D351-M353 PolarHBondContact O-N 2.94Å; D351-M353 WeakPolarHBondContact OD1-CB 3.49Å; D351-M353 PolarHBondContact OD1-N 2.83Å; M353-Q355 VanDerWaalsContact C-N 3.29Å; M353-Q355 PolarHBondContact O-N 2.91Å; M353-I356 WeakPolarHBondContact O-CG2 3.39Å; M353-I356 PolarHBondContact O-N 2.8Å; M353-I356 HydrophobicContact SD-CG2 4.35Å; M353-Q357 WeakPolarHBondContact O-CB 3.48Å; M353-Q357 WeakPolarHBondContact O-CG 3.31Å; M353-Q357 PolarHBondContact O-N 2.98Å; M353-Q357 HydrophobicContact SD-CG 4.4Å; M353-L393 HydrophobicContact CB-CB 3.92Å; M353-L393 HydrophobicContact CE-CB 4.02Å; M353-L393 HydrophobicContact CE-CD1 4.21Å; M353-L393 PolarHBondContact N-O 3.32Å; M353-L393 HydrophobicContact SD-CD1 4.47Å; M353-D394 VanDerWaalsContact CE-OD2 3.26Å; M353-D394 WeakPolarHBondContact CE-OD2 3.37Å
354	F	88.8	Confident	92.9	Very high	37 Å²	37	39.8 Å²	39.8	16%	0.162	18%	0.184	C	C	.	.	H	α-helix	trans	-59.9	-40.3	175.3	179.6	-104.4	0	0	0	111.7	D351 R358 N575	D351-F354 PolarHBondContact O-N 2.83Å; D351-F354 WeakPolarHBondContact OD1-CB 3.45Å; D351-F354 PolarHBondContact OD1-N 3.27Å; F354-R358 WeakPolarHBondContact O-CG 3.46Å; F354-N575 HydrophobicContact CE1-CB 4.46Å
355	Q	90.8	Very high	92.9	Very high	11 Å²	11	42.4 Å²	42.4	5%	0.051	20%	0.202	C	C	.	.	H	α-helix	trans	-70.4	-40.4	180	-58.7	-55.6	-23.2	0	0	112.6	G349 D351 L352 M353 R358 A359 F362 L398 F542	G349-Q355 PolarHBondContact O-NE2 3.34Å; D351-Q355 WeakPolarHBondContact O-CG 3.14Å; D351-Q355 PolarHBondContact O-N 2.95Å; L352-Q355 PolarHBondContact O-N 2.85Å; M353-Q355 VanDerWaalsContact C-N 3.29Å; M353-Q355 PolarHBondContact O-N 2.91Å; Q355-R358 PolarHBondContact O-N 3.38Å; Q355-A359 WeakPolarHBondContact O-CB 3.4Å; Q355-A359 PolarHBondContact O-N 3.03Å; Q355-A359 VanDerWaalsContact O-N 3.1Å; Q355-F362 HydrophobicContact CB-CE1 4.41Å; Q355-F362 HydrophobicContact CB-CZ 4.04Å; Q355-L398 HydrophobicContact CG-CD1 3.9Å; Q355-F542 HydrophobicContact CG-CE1 4.13Å
356	I	91.7	Very high	93	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-73.5	-33.7	179.7	-158.4	164.8	0	0	0	112.1	F19 L352 M353 R358 A359 R360 F362 L393 E456 M457	F19-I356 HydrophobicContact CD1-CG2 4.05Å; F19-I356 HydrophobicContact CD2-CG1 4.25Å; F19-I356 HydrophobicContact CD2-CG2 4.13Å; F19-I356 HydrophobicContact CE1-CG2 3.92Å; F19-I356 HydrophobicContact CE2-CD1 3.64Å; F19-I356 HydrophobicContact CE2-CG1 3.74Å; F19-I356 HydrophobicContact CE2-CG2 3.98Å; F19-I356 HydrophobicContact CG-CG2 4.17Å; F19-I356 HydrophobicContact CZ-CD1 3.72Å; F19-I356 HydrophobicContact CZ-CG1 4.18Å; F19-I356 HydrophobicContact CZ-CG2 3.9Å; L352-I356 PolarHBondContact O-N 3.37Å; M353-I356 WeakPolarHBondContact O-CG2 3.39Å; M353-I356 PolarHBondContact O-N 2.8Å; M353-I356 HydrophobicContact SD-CG2 4.35Å; I356-R358 PolarHBondContact O-N 2.98Å; I356-A359 CarbonylContact O-C 3.55Å; I356-A359 PolarHBondContact O-N 3.07Å; I356-A359 VanDerWaalsContact O-N 3.15Å; I356-R360 VanDerWaalsContact O-CA 3.27Å; I356-R360 WeakPolarHBondContact O-CA 3.49Å; I356-R360 PolarHBondContact O-N 3.23Å; I356-F362 HydrophobicContact CB-CE1 3.87Å; I356-F362 HydrophobicContact CB-CE2 4.34Å; I356-F362 HydrophobicContact CB-CZ 3.69Å; I356-F362 HydrophobicContact CD1-CE2 4.46Å; I356-F362 HydrophobicContact CG1-CD1 4.31Å; I356-F362 HydrophobicContact CG1-CE1 4.02Å; I356-F362 HydrophobicContact CG1-CZ 4.15Å; I356-L393 HydrophobicContact CD1-CD1 4.42Å; I356-L393 HydrophobicContact CG2-CD1 3.88Å; I356-E456 WeakPolarHBondContact CD1-O 3.47Å; I356-M457 HydrophobicContact CD1-CG 4.42Å
357	Q	88.8	Confident	93.2	Very high	57 Å²	57	40.4 Å²	40.4	27%	0.266	19%	0.192	S	C	.	.	H	α-helix	trans	-55.8	-35.3	173.8	-83.4	173.6	-10	0	0	112.1	F19 M353	F19-Q357 HydrophobicContact CB-CB 4.49Å; F19-Q357 HydrophobicContact CB-CG 3.66Å; M353-Q357 WeakPolarHBondContact O-CB 3.48Å; M353-Q357 WeakPolarHBondContact O-CG 3.31Å; M353-Q357 PolarHBondContact O-N 2.98Å; M353-Q357 HydrophobicContact SD-CG 4.4Å
358	R	86.2	Confident	93.3	Very high	184 Å²	184	41.3 Å²	41.3	69%	0.694	20%	0.195	S	C	*	.	H	α-helix	trans	-80.6	-39	177.1	-62.6	175.7	70	135.4	6.1	112.8	F354 Q355 I356	F354-R358 WeakPolarHBondContact O-CG 3.46Å; Q355-R358 PolarHBondContact O-N 3.38Å; I356-R358 PolarHBondContact O-N 2.98Å
359	A	90.2	Very high	93.6	Very high	44 Å²	44	41 Å²	41	36%	0.364	19%	0.191	S	C	.	.	H	α-helix	trans	-82.7	-16	-178.3	0	0	0	0	0	113.8	Q355 I356 K361 F362	Q355-A359 WeakPolarHBondContact O-CB 3.4Å; Q355-A359 PolarHBondContact O-N 3.03Å; Q355-A359 VanDerWaalsContact O-N 3.1Å; I356-A359 CarbonylContact O-C 3.55Å; I356-A359 PolarHBondContact O-N 3.07Å; I356-A359 VanDerWaalsContact O-N 3.15Å; A359-K361 WeakPolarHBondContact CB-O 3.43Å; A359-K361 PolarHBondContact O-N 3.15Å; A359-F362 HydrophobicContact CB-CD1 3.96Å; A359-F362 HydrophobicContact CB-CE1 3.88Å
360	R	89.5	Confident	94	Very high	149 Å²	149	41.1 Å²	41.1	56%	0.562	19%	0.192	S	C	*	.	S	Bend	trans	66.3	-44.9	-167.7	-53	-178.9	175.4	-156.6	-2.5	114.5	I356 G460	I356-R360 VanDerWaalsContact O-CA 3.27Å; I356-R360 WeakPolarHBondContact O-CA 3.49Å; I356-R360 PolarHBondContact O-N 3.23Å; R360-G460 WeakPolarHBondContact O-CA 3.39Å
361	K	93.9	Very high	94.3	Very high	70 Å²	70	41 Å²	41	30%	0.304	19%	0.191	S	C	.	.	S	Bend	trans	-151.7	163.1	170.4	63.2	-169.9	177.4	-164.1	0	109.6	E14 A359	E14-K361 IonicContact OE1-NZ 2.86Å; E14-K361 PolarHBondContact OE1-NZ 2.84Å; A359-K361 WeakPolarHBondContact CB-O 3.43Å; A359-K361 PolarHBondContact O-N 3.15Å
362	F	96.6	Very high	94.5	Very high	5 Å²	5	40.4 Å²	40.4	2%	0.022	19%	0.188	C	C	.	.			trans	-98.1	146.6	170.7	-59.9	-23.5	0	0	0	109.9	L352 Q355 I356 A359 R366 Y370 M457	L352-F362 HydrophobicContact CD2-CE2 4.3Å; Q355-F362 HydrophobicContact CB-CE1 4.41Å; Q355-F362 HydrophobicContact CB-CZ 4.04Å; I356-F362 HydrophobicContact CB-CE1 3.87Å; I356-F362 HydrophobicContact CB-CE2 4.34Å; I356-F362 HydrophobicContact CB-CZ 3.69Å; I356-F362 HydrophobicContact CD1-CE2 4.46Å; I356-F362 HydrophobicContact CG1-CD1 4.31Å; I356-F362 HydrophobicContact CG1-CE1 4.02Å; I356-F362 HydrophobicContact CG1-CZ 4.15Å; A359-F362 HydrophobicContact CB-CD1 3.96Å; A359-F362 HydrophobicContact CB-CE1 3.88Å; F362-R366 HydrophobicContact CB-CB 4.27Å; F362-R366 HydrophobicContact CB-CG 4.16Å; F362-R366 HydrophobicContact CD2-CG 4.35Å; F362-R366 VanDerWaalsContact CE1-CZ 3.42Å; F362-R366 HydrophobicContact CG-CG 4.17Å; F362-Y370 HydrophobicContact CD2-CD2 4.17Å; F362-Y370 HydrophobicContact CD2-CE2 4.2Å; F362-Y370 HydrophobicContact CE2-CD2 4.1Å; F362-Y370 AromaticContact CE2-CE2 3.95Å; F362-Y370 HydrophobicContact CE2-CE2 3.95Å; F362-M457 HydrophobicContact CB-CB 4.48Å; F362-M457 HydrophobicContact CD2-CB 4Å; F362-M457 HydrophobicContact CD2-CG 3.71Å; F362-M457 HydrophobicContact CD2-SD 3.77Å; F362-M457 HydrophobicContact CE2-CG 4.07Å; F362-M457 HydrophobicContact CE2-SD 4.06Å; F362-M457 PolarHBondContact N-O 3.46Å
363	D	96.5	Very high	94.7	Very high	101 Å²	101	40.4 Å²	40.4	54%	0.54	19%	0.188	S	C	.	.			trans	-69.8	159.4	167.8	60.1	-25.5	0	0	0	110.7	R366 A367	D363-R366 PolarHBondContact O-N 3.1Å; D363-R366 VanDerWaalsContact O-N 3.17Å; D363-R366 WeakPolarHBondContact OD1-CB 3.31Å; D363-A367 PolarHBondContact O-N 3.48Å
364	E	97.4	Very high	95	Very high	46 Å²	46	40 Å²	40	22%	0.215	19%	0.186	C	C	.	.	H	α-helix	trans	-57.9	-43.4	-173.4	-167.4	-178.9	134.6	0	0	113.6	R366 A367 R368 M458 S488 F524	E364-R366 VanDerWaalsContact C-N 3.32Å; E364-R366 PolarHBondContact O-N 3.21Å; E364-A367 PolarHBondContact O-N 2.66Å; E364-R368 VanDerWaalsContact O-CB 3.25Å; E364-R368 WeakPolarHBondContact O-CB 3.44Å; E364-R368 PolarHBondContact O-N 2.8Å; E364-R368 IonicContact OE1-CZ 2.58Å; E364-R368 IonicContact OE1-NH2 3.53Å; E364-R368 PolarHBondContact OE1-NH2 3.26Å; E364-M458 HydrophobicContact CG-SD 4.06Å; E364-S488 PolarHBondContact OE1-OG 3.3Å; E364-S488 VanDerWaalsContact OE1-OG 3.11Å; E364-S488 WeakPolarHBondContact OE2-CB 3.39Å; E364-S488 PolarHBondContact OE2-OG 3.19Å; E364-F524 HydrophobicContact CG-CE2 3.62Å; E364-F524 HydrophobicContact CG-CZ 4.06Å
365	P	97.7	Very high	95.5	Very high	73 Å²	73	38.2 Å²	38.2	47%	0.474	18%	0.178	S	C	.	.	H	α-helix	trans	-60.5	-39	177.3	-24.6	36	0	0	0	113.2	R368 F369	P365-R368 PolarHBondContact O-N 2.82Å; P365-F369 WeakPolarHBondContact O-CB 3.44Å; P365-F369 PolarHBondContact O-N 2.77Å
366	R	97.8	Very high	95.8	Very high	26 Å²	26	37.8 Å²	37.8	10%	0.098	18%	0.176	C	C	.	.	H	α-helix	trans	-69.1	-45	176.9	-178.8	174.2	-173.4	-169	-3	111.8	F362 D363 E364 R368 F369 Y370 P541	F362-R366 HydrophobicContact CB-CB 4.27Å; F362-R366 HydrophobicContact CB-CG 4.16Å; F362-R366 HydrophobicContact CD2-CG 4.35Å; F362-R366 VanDerWaalsContact CE1-CZ 3.42Å; F362-R366 HydrophobicContact CG-CG 4.17Å; D363-R366 PolarHBondContact O-N 3.1Å; D363-R366 VanDerWaalsContact O-N 3.17Å; D363-R366 WeakPolarHBondContact OD1-CB 3.31Å; E364-R366 VanDerWaalsContact C-N 3.32Å; E364-R366 PolarHBondContact O-N 3.21Å; R366-R368 VanDerWaalsContact C-N 3.31Å; R366-R368 PolarHBondContact O-N 2.77Å; R366-F369 PolarHBondContact O-N 2.83Å; R366-Y370 HydrophobicContact CG-CD2 4.03Å; R366-Y370 HydrophobicContact CG-CE2 3.56Å; R366-Y370 PolarHBondContact NE-OH 2.79Å; R366-Y370 PolarHBondContact NH2-OH 2.85Å; R366-Y370 WeakPolarHBondContact O-CD2 3.48Å; R366-Y370 PolarHBondContact O-N 3.31Å; R366-Y370 VanDerWaalsContact O-N 3.17Å; R366-P541 HydrophobicContact CB-CB 4.28Å; R366-P541 HydrophobicContact CB-CG 4.17Å; R366-P541 HydrophobicContact CG-CB 4.32Å; R366-P541 HydrophobicContact CG-CG 3.87Å
367	A	98.2	Very high	96.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.8	-42	175.3	0	0	0	0	0	111.2	D363 E364 S371 M457 M458	D363-A367 PolarHBondContact O-N 3.48Å; E364-A367 PolarHBondContact O-N 2.66Å; A367-S371 VanDerWaalsContact O-CB 3.23Å; A367-S371 WeakPolarHBondContact O-CB 3.3Å; A367-S371 PolarHBondContact O-N 3.41Å; A367-S371 PolarHBondContact O-OG 2.8Å; A367-M457 HydrophobicContact CB-CB 3.99Å; A367-M457 HydrophobicContact CB-CE 4.43Å; A367-M458 HydrophobicContact CB-CG 3.49Å; A367-M458 VanDerWaalsContact CB-CG 3.49Å; A367-M458 HydrophobicContact CB-SD 4.25Å
368	R	98.5	Very high	96.6	Very high	24 Å²	24	35 Å²	35	9%	0.091	16%	0.163	C	C	.	.	H	α-helix	trans	-59.1	-48.7	175.7	-175.4	-171.9	-60.4	122.3	10.9	112	E364 P365 R366 S371 A372 F524 F525 E527 I528	E364-R368 VanDerWaalsContact O-CB 3.25Å; E364-R368 WeakPolarHBondContact O-CB 3.44Å; E364-R368 PolarHBondContact O-N 2.8Å; E364-R368 IonicContact OE1-CZ 2.58Å; E364-R368 IonicContact OE1-NH2 3.53Å; E364-R368 PolarHBondContact OE1-NH2 3.26Å; P365-R368 PolarHBondContact O-N 2.82Å; R366-R368 VanDerWaalsContact C-N 3.31Å; R366-R368 PolarHBondContact O-N 2.77Å; R368-S371 PolarHBondContact O-N 3.12Å; R368-A372 WeakPolarHBondContact O-CB 3.46Å; R368-A372 PolarHBondContact O-N 3.12Å; R368-F524 HydrophobicContact CB-CE1 3.74Å; R368-F524 HydrophobicContact CB-CZ 3.88Å; R368-F524 WeakPolarHBondContact CD-O 3.42Å; R368-F524 HydrophobicContact CG-CD1 4.18Å; R368-F524 HydrophobicContact CG-CE1 3.81Å; R368-F524 HydrophobicContact CG-CZ 4.33Å; R368-F524 PolarHBondContact NE-O 3.4Å; R368-F525 HydrophobicContact CG-CD1 3.85Å; R368-F525 HydrophobicContact CG-CE1 4.18Å; R368-E527 IonicContact CZ-OE2 3.21Å; R368-E527 IonicContact NH1-OE2 3.06Å; R368-E527 PolarHBondContact NH1-OE2 2.66Å; R368-I528 HydrophobicContact CG-CD1 4.14Å; R368-I528 HydrophobicContact CG-CG1 4.25Å
369	F	98.6	Very high	97.2	Very high	12 Å²	12	26.3 Å²	26.3	5%	0.053	13%	0.13	C	C	.	.	H	α-helix	trans	-57.1	-55.5	179	178.3	-90.5	0	0	0	111.7	P365 R366 S371 A372 E373 H403 L533 V538 A540 P541	P365-F369 WeakPolarHBondContact O-CB 3.44Å; P365-F369 PolarHBondContact O-N 2.77Å; R366-F369 PolarHBondContact O-N 2.83Å; F369-S371 VanDerWaalsContact C-N 3.34Å; F369-S371 PolarHBondContact O-N 2.83Å; F369-A372 WeakPolarHBondContact O-CB 3.29Å; F369-A372 PolarHBondContact O-N 3.47Å; F369-E373 VanDerWaalsContact CE1-CD 3.46Å; F369-E373 HydrophobicContact CE1-CG 4.31Å; F369-E373 WeakPolarHBondContact CE1-OE1 3.42Å; F369-E373 WeakPolarHBondContact CE1-OE2 3.07Å; F369-E373 HydrophobicContact CZ-CG 4.43Å; F369-E373 WeakPolarHBondContact CZ-OE1 3.44Å; F369-E373 PolarHBondContact O-N 3.41Å; F369-H403 AromaticContact CZ-CE1 3.86Å; F369-H403 AromaticContact CZ-ND1 3.68Å; F369-L533 HydrophobicContact CD2-CD1 4.17Å; F369-L533 HydrophobicContact CE2-CD1 3.79Å; F369-L533 HydrophobicContact CZ-CD1 4.38Å; F369-V538 HydrophobicContact CD2-CG1 4.15Å; F369-V538 HydrophobicContact CE2-CB 4.19Å; F369-V538 HydrophobicContact CE2-CG1 3.77Å; F369-A540 HydrophobicContact CE1-CB 3.89Å; F369-A540 HydrophobicContact CZ-CB 3.85Å; F369-P541 HydrophobicContact CB-CG 4.04Å; F369-P541 HydrophobicContact CD1-CG 3.83Å; F369-P541 VanDerWaalsContact CG-CD 3.46Å; F369-P541 HydrophobicContact CG-CG 3.98Å
370	Y	98.7	Very high	97.6	Very high	1 Å²	1	25.7 Å²	25.7	0%	0.004	12%	0.119	C	C	.	.	H	α-helix	trans	-63.5	-39.6	-179.8	-63.8	-38.3	0	0	0	112.5	L352 F362 R366 A372 E373 V374 L398 V404 M457	L352-Y370 HydrophobicContact CD1-CD2 4.09Å; L352-Y370 HydrophobicContact CD1-CG 4.25Å; L352-Y370 HydrophobicContact CD2-CD2 3.98Å; L352-Y370 HydrophobicContact CD2-CE1 4.47Å; L352-Y370 HydrophobicContact CD2-CE2 3.68Å; L352-Y370 HydrophobicContact CD2-CG 4.49Å; F362-Y370 HydrophobicContact CD2-CD2 4.17Å; F362-Y370 HydrophobicContact CD2-CE2 4.2Å; F362-Y370 HydrophobicContact CE2-CD2 4.1Å; F362-Y370 AromaticContact CE2-CE2 3.95Å; F362-Y370 HydrophobicContact CE2-CE2 3.95Å; R366-Y370 HydrophobicContact CG-CD2 4.03Å; R366-Y370 HydrophobicContact CG-CE2 3.56Å; R366-Y370 PolarHBondContact NE-OH 2.79Å; R366-Y370 PolarHBondContact NH2-OH 2.85Å; R366-Y370 WeakPolarHBondContact O-CD2 3.48Å; R366-Y370 PolarHBondContact O-N 3.31Å; R366-Y370 VanDerWaalsContact O-N 3.17Å; Y370-A372 VanDerWaalsContact C-N 3.27Å; Y370-A372 PolarHBondContact O-N 3.27Å; Y370-E373 PolarHBondContact O-N 3.32Å; Y370-V374 VanDerWaalsContact O-CG2 3.25Å; Y370-V374 WeakPolarHBondContact O-CG2 3.46Å; Y370-V374 PolarHBondContact O-N 3.06Å; Y370-L398 HydrophobicContact CE1-CD2 3.86Å; Y370-V404 HydrophobicContact CD1-CG1 3.51Å; Y370-V404 HydrophobicContact CE1-CG1 4.22Å; Y370-V404 HydrophobicContact CG-CG1 4.11Å; Y370-M457 HydrophobicContact CD2-SD 4.24Å
371	S	98.6	Very high	98	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-64.9	-33.2	178.5	-53.4	0	0	0	0	112.2	A367 R368 F369 T375 M454 M457	A367-S371 VanDerWaalsContact O-CB 3.23Å; A367-S371 WeakPolarHBondContact O-CB 3.3Å; A367-S371 PolarHBondContact O-N 3.41Å; A367-S371 PolarHBondContact O-OG 2.8Å; R368-S371 PolarHBondContact O-N 3.12Å; F369-S371 VanDerWaalsContact C-N 3.34Å; F369-S371 PolarHBondContact O-N 2.83Å; S371-T375 VanDerWaalsContact O-CB 3.27Å; S371-T375 WeakPolarHBondContact O-CB 2.82Å; S371-T375 PolarHBondContact O-N 2.82Å; S371-T375 PolarHBondContact O-OG1 3.2Å; S371-M454 WeakPolarHBondContact OG-CG 3.4Å; S371-M457 VanDerWaalsContact OG-CE 3.23Å; S371-M457 WeakPolarHBondContact OG-CE 3.35Å
372	A	98.7	Very high	98.2	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-67.8	-44.4	175.3	0	0	0	0	0	111.5	R368 F369 Y370 V374 T375 S376 F525 I528 W530 L533	R368-A372 WeakPolarHBondContact O-CB 3.46Å; R368-A372 PolarHBondContact O-N 3.12Å; F369-A372 WeakPolarHBondContact O-CB 3.29Å; F369-A372 PolarHBondContact O-N 3.47Å; Y370-A372 VanDerWaalsContact C-N 3.27Å; Y370-A372 PolarHBondContact O-N 3.27Å; A372-V374 PolarHBondContact O-N 3.05Å; A372-T375 WeakPolarHBondContact O-CB 3.47Å; A372-T375 PolarHBondContact O-N 2.99Å; A372-S376 PolarHBondContact O-N 3.48Å; A372-F525 HydrophobicContact CB-CD1 4.07Å; A372-F525 HydrophobicContact CB-CE1 3.9Å; A372-I528 HydrophobicContact CB-CD1 4.27Å; A372-I528 HydrophobicContact CB-CG1 4.07Å; A372-I528 HydrophobicContact CB-CG2 4.04Å; A372-W530 HydrophobicContact CB-CH2 3.94Å; A372-W530 HydrophobicContact CB-CZ3 4.16Å; A372-W530 VanDerWaalsContact O-CZ3 3.27Å; A372-W530 WeakPolarHBondContact O-CZ3 3.46Å; A372-L533 HydrophobicContact CB-CD2 3.61Å
373	E	98.7	Very high	98.1	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-64.4	-42.1	177.5	-61.4	-170.3	144.1	0	0	112	F326 F369 Y370 S376 A377 H403 V404 L533	F326-E373 HydrophobicContact CD1-CB 4.09Å; F326-E373 HydrophobicContact CD1-CG 4.26Å; F326-E373 HydrophobicContact CD2-CB 3.83Å; F326-E373 HydrophobicContact CD2-CG 4.31Å; F326-E373 WeakPolarHBondContact CD2-O 3.43Å; F326-E373 HydrophobicContact CE1-CB 4.15Å; F326-E373 VanDerWaalsContact CE1-CD 3.45Å; F326-E373 HydrophobicContact CE1-CG 3.82Å; F326-E373 WeakPolarHBondContact CE1-OE1 3.46Å; F326-E373 HydrophobicContact CE2-CB 3.9Å; F326-E373 HydrophobicContact CE2-CG 3.89Å; F326-E373 HydrophobicContact CG-CB 3.94Å; F326-E373 HydrophobicContact CG-CG 4.49Å; F326-E373 HydrophobicContact CZ-CB 4.05Å; F326-E373 HydrophobicContact CZ-CG 3.61Å; F326-E373 WeakPolarHBondContact CZ-OE1 3.46Å; F369-E373 VanDerWaalsContact CE1-CD 3.46Å; F369-E373 HydrophobicContact CE1-CG 4.31Å; F369-E373 WeakPolarHBondContact CE1-OE1 3.42Å; F369-E373 WeakPolarHBondContact CE1-OE2 3.07Å; F369-E373 HydrophobicContact CZ-CG 4.43Å; F369-E373 WeakPolarHBondContact CZ-OE1 3.44Å; F369-E373 PolarHBondContact O-N 3.41Å; Y370-E373 PolarHBondContact O-N 3.32Å; E373-S376 PolarHBondContact O-N 3.03Å; E373-A377 PolarHBondContact O-N 3.26Å; E373-H403 IonicContact OE1-CE1 3.23Å; E373-H403 IonicContact OE1-CG 2.72Å; E373-H403 IonicContact OE1-ND1 3.76Å; E373-H403 PolarHBondContact OE1-ND1 2.89Å; E373-V404 HydrophobicContact CB-CG2 3.34Å; E373-V404 HydrophobicContact CG-CG2 4.33Å; E373-V404 WeakPolarHBondContact OE2-CG1 3.43Å; E373-V404 WeakPolarHBondContact OE2-CG2 3.48Å; E373-V404 PolarHBondContact OE2-N 3.22Å; E373-L533 HydrophobicContact CG-CD1 3.8Å; E373-L533 HydrophobicContact CG-CD2 4.07Å; E373-L533 HydrophobicContact CG-CG 4.03Å
374	V	98.8	Very high	98.2	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-62.4	-42.2	173.4	174.2	0	0	0	0	111	Y370 A372 S376 A377 L378 L391 I396 V404 L406 L450	Y370-V374 VanDerWaalsContact O-CG2 3.25Å; Y370-V374 WeakPolarHBondContact O-CG2 3.46Å; Y370-V374 PolarHBondContact O-N 3.06Å; A372-V374 PolarHBondContact O-N 3.05Å; V374-S376 VanDerWaalsContact C-N 3.34Å; V374-S376 PolarHBondContact O-N 3.39Å; V374-A377 WeakPolarHBondContact O-CB 3.32Å; V374-A377 PolarHBondContact O-N 2.95Å; V374-L378 HydrophobicContact CG1-CD1 4.06Å; V374-L378 HydrophobicContact CG1-CG 4.27Å; V374-L378 WeakPolarHBondContact O-CG 3.35Å; V374-L378 PolarHBondContact O-N 3.3Å; V374-L391 HydrophobicContact CG1-CD1 3.65Å; V374-L391 HydrophobicContact CG1-CD2 3.98Å; V374-L391 HydrophobicContact CG1-CG 4.46Å; V374-I396 HydrophobicContact CG2-CD1 4.02Å; V374-I396 HydrophobicContact CG2-CG2 4.49Å; V374-V404 HydrophobicContact CG2-CG2 4.32Å; V374-L406 HydrophobicContact CG1-CD2 4.45Å; V374-L406 HydrophobicContact CG2-CD2 4.14Å; V374-L450 HydrophobicContact CB-CD1 4.31Å; V374-L450 HydrophobicContact CG1-CD1 3.86Å
375	T	98.7	Very high	98.1	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-58	-46.6	175.9	-64.9	0	0	0	0	111.2	S371 A372 A377 L378 Q379 W447 L450 V519 W530	S371-T375 VanDerWaalsContact O-CB 3.27Å; S371-T375 WeakPolarHBondContact O-CB 2.82Å; S371-T375 PolarHBondContact O-N 2.82Å; S371-T375 PolarHBondContact O-OG1 3.2Å; A372-T375 WeakPolarHBondContact O-CB 3.47Å; A372-T375 PolarHBondContact O-N 2.99Å; T375-A377 VanDerWaalsContact C-N 3.35Å; T375-A377 PolarHBondContact O-N 3.29Å; T375-L378 PolarHBondContact O-N 2.92Å; T375-Q379 WeakPolarHBondContact O-CG 3.47Å; T375-Q379 PolarHBondContact O-N 3.43Å; T375-W447 HydrophobicContact CG2-CH2 3.98Å; T375-W447 HydrophobicContact CG2-CZ3 4.01Å; T375-L450 WeakPolarHBondContact OG1-CD2 3.38Å; T375-V519 HydrophobicContact CG2-CB 4.44Å; T375-V519 HydrophobicContact CG2-CG1 3.67Å; T375-W530 HydrophobicContact CG2-CH2 3.7Å; T375-W530 HydrophobicContact CG2-CZ3 3.94Å
376	S	98.6	Very high	98.2	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.007	6%	0.063	C	C	.	.	H	α-helix	trans	-59.8	-45.8	177.5	175.1	0	0	0	0	111.3	H324 A372 E373 V374 L378 Q379 F380 E534	H324-S376 PolarHBondContact CE1-OG 3.32Å; H324-S376 PolarHBondContact NE2-OG 2.87Å; A372-S376 PolarHBondContact O-N 3.48Å; E373-S376 PolarHBondContact O-N 3.03Å; V374-S376 VanDerWaalsContact C-N 3.34Å; V374-S376 PolarHBondContact O-N 3.39Å; S376-L378 PolarHBondContact O-N 3.43Å; S376-Q379 PolarHBondContact O-N 2.88Å; S376-F380 PolarHBondContact O-N 3.3Å; S376-E534 VanDerWaalsContact OG-CG 3.26Å; S376-E534 WeakPolarHBondContact OG-CG 3.41Å; S376-E534 PolarHBondContact OG-OE1 3.47Å
377	A	98.7	Very high	98.2	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-60.3	-45.3	176.1	0	0	0	0	0	113.5	H324 F326 L327 E373 V374 T375 F380 L381 L406	H324-A377 VanDerWaalsContact CE1-CA 3.47Å; H324-A377 WeakPolarHBondContact CE1-CA 3.17Å; H324-A377 PolarHBondContact CE1-N 2.81Å; F326-A377 HydrophobicContact CB-CB 4.13Å; L327-A377 HydrophobicContact CD2-CB 3.73Å; L327-A377 HydrophobicContact CG-CB 4.32Å; E373-A377 PolarHBondContact O-N 3.26Å; V374-A377 WeakPolarHBondContact O-CB 3.32Å; V374-A377 PolarHBondContact O-N 2.95Å; T375-A377 VanDerWaalsContact C-N 3.35Å; T375-A377 PolarHBondContact O-N 3.29Å; A377-F380 WeakPolarHBondContact O-CB 3.28Å; A377-F380 PolarHBondContact O-N 3.36Å; A377-L381 WeakPolarHBondContact O-CG 3.28Å; A377-L381 PolarHBondContact O-N 3.01Å; A377-L381 VanDerWaalsContact O-N 3.13Å; A377-L406 HydrophobicContact CB-CD1 3.71Å; A377-L406 HydrophobicContact CB-CG 4.15Å
378	L	98.6	Very high	98.2	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-63.7	-45.7	178.6	-71.7	176.3	0	0	0	111.7	V374 T375 S376 F380 L381 H382 Y388 L391 D446 W447 L450	V374-L378 HydrophobicContact CG1-CD1 4.06Å; V374-L378 HydrophobicContact CG1-CG 4.27Å; V374-L378 WeakPolarHBondContact O-CG 3.35Å; V374-L378 PolarHBondContact O-N 3.3Å; T375-L378 PolarHBondContact O-N 2.92Å; S376-L378 PolarHBondContact O-N 3.43Å; L378-F380 VanDerWaalsContact C-N 3.28Å; L378-F380 PolarHBondContact O-N 3.01Å; L378-L381 WeakPolarHBondContact O-CB 3.37Å; L378-L381 PolarHBondContact O-N 3.26Å; L378-L381 VanDerWaalsContact O-N 3.09Å; L378-H382 PolarHBondContact O-CD2 3.37Å; L378-H382 VanDerWaalsContact O-CD2 3.32Å; L378-H382 VanDerWaalsContact O-CG 3.23Å; L378-H382 PolarHBondContact O-N 3.07Å; L378-Y388 HydrophobicContact CD2-CD1 4.49Å; L378-Y388 HydrophobicContact CD2-CG 4.35Å; L378-L391 HydrophobicContact CD1-CD2 4.27Å; L378-D446 HydrophobicContact CD1-CB 4.34Å; L378-D446 HydrophobicContact CD2-CB 4.08Å; L378-W447 HydrophobicContact CB-CH2 4.41Å; L378-W447 HydrophobicContact CD1-CZ3 4.3Å; L378-L450 HydrophobicContact CD1-CB 4.48Å; L378-L450 HydrophobicContact CD1-CD2 4.47Å
379	Q	97.9	Very high	98.1	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-61.5	-37.9	177	-71.7	176.3	-43.5	0	0	111.9	T375 S376 L381 H382 R383 W447 E516	T375-Q379 WeakPolarHBondContact O-CG 3.47Å; T375-Q379 PolarHBondContact O-N 3.43Å; S376-Q379 PolarHBondContact O-N 2.88Å; Q379-L381 VanDerWaalsContact C-N 3.35Å; Q379-L381 PolarHBondContact O-N 3.07Å; Q379-H382 PolarHBondContact O-N 3.35Å; Q379-R383 WeakPolarHBondContact O-CB 3.39Å; Q379-R383 WeakPolarHBondContact O-CD 3.37Å; Q379-R383 WeakPolarHBondContact O-CG 3.39Å; Q379-R383 PolarHBondContact O-N 2.66Å; Q379-W447 HydrophobicContact CG-CH2 3.77Å; Q379-W447 HydrophobicContact CG-CZ2 3.98Å; Q379-E516 HydrophobicContact CG-CB 4.4Å; Q379-E516 PolarHBondContact NE2-O 2.74Å; Q379-E516 VanDerWaalsContact NE2-O 3.11Å
380	F	98.3	Very high	97.9	Very high	31 Å²	31	13.2 Å²	13.2	14%	0.136	6%	0.055	C	C	.	.	H	α-helix	trans	-59	-46.6	173.1	174.6	-90.8	0	0	0	111.5	L320 K323 H324 L327 S376 A377 L378 H384	L320-F380 HydrophobicContact CD1-CE1 4.46Å; L320-F380 HydrophobicContact CD1-CZ 3.99Å; L320-F380 HydrophobicContact CD2-CE1 4.17Å; L320-F380 HydrophobicContact CD2-CZ 4.45Å; L320-F380 HydrophobicContact CG-CE1 3.88Å; L320-F380 HydrophobicContact CG-CZ 3.92Å; K323-F380 HydrophobicContact CB-CE2 4.42Å; K323-F380 HydrophobicContact CB-CZ 4.08Å; H324-F380 HydrophobicContact CB-CD1 4.04Å; H324-F380 HydrophobicContact CB-CD2 4.33Å; H324-F380 HydrophobicContact CB-CE1 4.16Å; H324-F380 HydrophobicContact CB-CE2 4.43Å; H324-F380 HydrophobicContact CB-CG 4.13Å; H324-F380 HydrophobicContact CB-CZ 4.36Å; H324-F380 AromaticContact CD2-CD2 3.66Å; H324-F380 AromaticContact CD2-CG 3.55Å; H324-F380 AromaticContact CG-CG 3.96Å; L327-F380 HydrophobicContact CD1-CD1 3.65Å; L327-F380 HydrophobicContact CD1-CE1 3.93Å; S376-F380 PolarHBondContact O-N 3.3Å; A377-F380 WeakPolarHBondContact O-CB 3.28Å; A377-F380 PolarHBondContact O-N 3.36Å; L378-F380 VanDerWaalsContact C-N 3.28Å; L378-F380 PolarHBondContact O-N 3.01Å; F380-H384 AromaticContact CD2-CE1 3.82Å; F380-H384 AromaticContact CE2-CE1 3.35Å; F380-H384 WeakPolarHBondContact CE2-CE1 3.47Å; F380-H384 AromaticContact CE2-ND1 3.87Å; F380-H384 AromaticContact CZ-CE1 3.54Å; F380-H384 AromaticContact CZ-ND1 3.84Å; F380-H384 PolarHBondContact O-N 2.64Å; F380-H384 PolarHBondContact O-ND1 3.25Å
381	L	98.4	Very high	97.9	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-63.8	-47.2	177.4	-66.5	175.3	0	0	0	111.9	V317 L327 A377 L378 Q379 R383 H384 G385 I386 Y388 F409	V317-L381 HydrophobicContact CG1-CD2 4.03Å; L327-L381 HydrophobicContact CD1-CD2 3.89Å; L327-L381 HydrophobicContact CD1-CG 4.21Å; L327-L381 HydrophobicContact CD2-CD1 4.34Å; A377-L381 WeakPolarHBondContact O-CG 3.28Å; A377-L381 PolarHBondContact O-N 3.01Å; A377-L381 VanDerWaalsContact O-N 3.13Å; L378-L381 WeakPolarHBondContact O-CB 3.37Å; L378-L381 PolarHBondContact O-N 3.26Å; L378-L381 VanDerWaalsContact O-N 3.09Å; Q379-L381 VanDerWaalsContact C-N 3.35Å; Q379-L381 PolarHBondContact O-N 3.07Å; L381-R383 PolarHBondContact O-N 3.25Å; L381-H384 CarbonylContact O-C 3.31Å; L381-H384 WeakPolarHBondContact O-CA 3.46Å; L381-H384 WeakPolarHBondContact O-CB 3.21Å; L381-H384 PolarHBondContact O-N 3.17Å; L381-G385 PolarHBondContact O-N 2.87Å; L381-I386 CarbonylContact C-O 3.59Å; L381-I386 VanDerWaalsContact C-O 3.31Å; L381-I386 HydrophobicContact CB-CB 4.15Å; L381-I386 HydrophobicContact CB-CG2 4.33Å; L381-I386 HydrophobicContact CD2-CB 4.39Å; L381-I386 HydrophobicContact CD2-CD1 4.31Å; L381-I386 HydrophobicContact CD2-CG2 4.15Å; L381-I386 WeakPolarHBondContact O-CB 3.23Å; L381-I386 PolarHBondContact O-N 2.77Å; L381-Y388 HydrophobicContact CD1-CD2 3.96Å; L381-Y388 HydrophobicContact CD1-CG 4.36Å; L381-F409 HydrophobicContact CD1-CE1 4.44Å
382	H	97.2	Very high	97.7	Very high	13 Å²	13	13.6 Å²	13.6	6%	0.06	6%	0.057	C	C	.	.	H	α-helix	trans	-63.2	-41.1	180	-64.5	179.1	0	0	0	112.1	L378 Q379 H384 G385 I386 D446 W447 E516	L378-H382 PolarHBondContact O-CD2 3.37Å; L378-H382 VanDerWaalsContact O-CD2 3.32Å; L378-H382 VanDerWaalsContact O-CG 3.23Å; L378-H382 PolarHBondContact O-N 3.07Å; Q379-H382 PolarHBondContact O-N 3.35Å; H382-H384 PolarHBondContact O-N 2.93Å; H382-H384 VanDerWaalsContact O-N 3.17Å; H382-G385 WeakPolarHBondContact O-CA 3.5Å; H382-G385 PolarHBondContact O-N 3.44Å; H382-I386 PolarHBondContact CD2-O 3.48Å; H382-I386 PolarHBondContact N-O 2.78Å; H382-D446 IonicContact NE2-OD2 2.8Å; H382-D446 PolarHBondContact NE2-OD2 2.96Å; H382-D446 VanDerWaalsContact NE2-OD2 3.14Å; H382-W447 AromaticContact CE1-CE2 3.98Å; H382-W447 AromaticContact CE1-NE1 3.92Å; H382-E516 WeakPolarHBondContact CB-OE1 3.48Å; H382-E516 IonicContact CE1-OE1 2.78Å; H382-E516 IonicContact CG-OE1 2.83Å; H382-E516 IonicContact ND1-OE1 2.65Å; H382-E516 PolarHBondContact ND1-OE1 3.01Å
383	R	96	Very high	97.6	Very high	135 Å²	135	13.6 Å²	13.6	51%	0.509	6%	0.057	S	C	.	.	H	α-helix	trans	-60.5	-23	171.5	-74.1	169.6	-176.2	-178.9	0.3	112.6	Q379 L381 K417	Q379-R383 WeakPolarHBondContact O-CB 3.39Å; Q379-R383 WeakPolarHBondContact O-CD 3.37Å; Q379-R383 WeakPolarHBondContact O-CG 3.39Å; Q379-R383 PolarHBondContact O-N 2.66Å; L381-R383 PolarHBondContact O-N 3.25Å; R383-K417 WeakPolarHBondContact O-CE 3.28Å; R383-K417 PolarHBondContact O-NZ 2.83Å
384	H	97.2	Very high	97.3	Very high	64 Å²	64	14.8 Å²	14.8	30%	0.296	6%	0.063	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	0.6	171.4	-70.2	89.6	0	0	0	113.8	L320 F380 L381 H382 I386	L320-H384 HydrophobicContact CD2-CB 3.72Å; F380-H384 AromaticContact CD2-CE1 3.82Å; F380-H384 AromaticContact CE2-CE1 3.35Å; F380-H384 WeakPolarHBondContact CE2-CE1 3.47Å; F380-H384 AromaticContact CE2-ND1 3.87Å; F380-H384 AromaticContact CZ-CE1 3.54Å; F380-H384 AromaticContact CZ-ND1 3.84Å; F380-H384 PolarHBondContact O-N 2.64Å; F380-H384 PolarHBondContact O-ND1 3.25Å; L381-H384 CarbonylContact O-C 3.31Å; L381-H384 WeakPolarHBondContact O-CA 3.46Å; L381-H384 WeakPolarHBondContact O-CB 3.21Å; L381-H384 PolarHBondContact O-N 3.17Å; H382-H384 PolarHBondContact O-N 2.93Å; H382-H384 VanDerWaalsContact O-N 3.17Å; H384-I386 HydrophobicContact CB-CD1 3.9Å; H384-I386 HydrophobicContact CB-CG1 4.48Å
385	G	96.9	Very high	97.1	Very high	2 Å²	2	15.4 Å²	15.4	2%	0.021	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	81	26.5	175.2	0	0	0	0	0	112.9	L381 H382 E414 N415 V416 K417	L381-G385 PolarHBondContact O-N 2.87Å; H382-G385 WeakPolarHBondContact O-CA 3.5Å; H382-G385 PolarHBondContact O-N 3.44Å; G385-E414 CarbonylContact O-C 3.52Å; G385-E414 WeakPolarHBondContact O-CA 3.26Å; G385-N415 PolarHBondContact O-N 3.35Å; G385-N415 VanDerWaalsContact O-N 3.08Å; G385-V416 PolarHBondContact O-N 3.26Å; G385-K417 VanDerWaalsContact CA-CG 3.43Å
386	I	98.3	Very high	97.1	Very high	8 Å²	8	15.4 Å²	15.4	4%	0.041	7%	0.067	C	C	.	.			trans	-112.4	125.1	-176.6	-62.5	157.5	0	0	0	108	V317 L320 L381 H382 H384 C412 K413 E414	V317-I386 HydrophobicContact CG1-CG2 4.33Å; V317-I386 HydrophobicContact CG2-CD1 3.96Å; V317-I386 HydrophobicContact CG2-CG1 4.26Å; V317-I386 HydrophobicContact CG2-CG2 3.92Å; L320-I386 HydrophobicContact CD2-CD1 3.62Å; L381-I386 CarbonylContact C-O 3.59Å; L381-I386 VanDerWaalsContact C-O 3.31Å; L381-I386 HydrophobicContact CB-CB 4.15Å; L381-I386 HydrophobicContact CB-CG2 4.33Å; L381-I386 HydrophobicContact CD2-CB 4.39Å; L381-I386 HydrophobicContact CD2-CD1 4.31Å; L381-I386 HydrophobicContact CD2-CG2 4.15Å; L381-I386 WeakPolarHBondContact O-CB 3.23Å; L381-I386 PolarHBondContact O-N 2.77Å; H382-I386 PolarHBondContact CD2-O 3.48Å; H382-I386 PolarHBondContact N-O 2.78Å; H384-I386 HydrophobicContact CB-CD1 3.9Å; H384-I386 HydrophobicContact CB-CG1 4.48Å; I386-C412 HydrophobicContact CG2-CB 3.99Å; I386-K413 CarbonylContact C-O 3.56Å; I386-K413 VanDerWaalsContact CA-O 3.25Å; I386-K413 WeakPolarHBondContact CA-O 3.42Å; I386-E414 HydrophobicContact CG1-CB 4.18Å
387	L	98	Very high	97	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.075	C	C	.	.	B	Isolated β-bridge	trans	-87.5	140	164.7	-51.5	-175.3	0	0	0	109.2	R389 C412 K413 V416 T422 Y441 P443	L387-R389 HydrophobicContact CB-CG 3.59Å; L387-R389 HydrophobicContact CD1-CG 4.37Å; L387-C412 CarbonylContact O-C 3.56Å; L387-C412 WeakPolarHBondContact O-CA 3.41Å; L387-C412 WeakPolarHBondContact O-CB 3.28Å; L387-K413 HydrophobicContact CB-CB 4.3Å; L387-K413 HydrophobicContact CD1-CB 4.49Å; L387-K413 HydrophobicContact CG-CB 4.5Å; L387-K413 PolarHBondContact N-O 2.87Å; L387-K413 PolarHBondContact O-N 3.06Å; L387-V416 HydrophobicContact CD1-CB 4.36Å; L387-V416 HydrophobicContact CD1-CG1 3.98Å; L387-V416 HydrophobicContact CD1-CG2 4Å; L387-V416 HydrophobicContact CD2-CB 4.27Å; L387-V416 HydrophobicContact CD2-CG1 4.05Å; L387-V416 HydrophobicContact CG-CB 4.01Å; L387-V416 HydrophobicContact CG-CG1 4.03Å; L387-V416 HydrophobicContact CG-CG2 3.87Å; L387-T422 HydrophobicContact CD1-CG2 3.69Å; L387-Y441 HydrophobicContact CD1-CD2 4.27Å; L387-Y441 HydrophobicContact CD1-CE2 4.09Å; L387-P443 HydrophobicContact CD2-CB 4.01Å; L387-P443 HydrophobicContact CD2-CG 3.67Å; L387-P443 VanDerWaalsContact CD2-N 3.29Å
388	Y	98.2	Very high	96.9	Very high	1 Å²	1	17 Å²	17	0%	0.004	8%	0.075	C	C	.	.			trans	-84.4	-50.8	178	-175.6	-109.4	0	0	0	112	L378 L381 D390 L391 N395 L406 A407 F409 M411 D446	L378-Y388 HydrophobicContact CD2-CD1 4.49Å; L378-Y388 HydrophobicContact CD2-CG 4.35Å; L381-Y388 HydrophobicContact CD1-CD2 3.96Å; L381-Y388 HydrophobicContact CD1-CG 4.36Å; Y388-D390 WeakPolarHBondContact CE1-O 3.43Å; Y388-D390 PolarHBondContact O-N 3.13Å; Y388-D390 VanDerWaalsContact O-N 3.15Å; Y388-L391 HydrophobicContact CD1-CB 3.97Å; Y388-L391 HydrophobicContact CD1-CD1 4.37Å; Y388-L391 HydrophobicContact CE1-CB 4.06Å; Y388-L391 HydrophobicContact CE1-CD1 4.1Å; Y388-N395 WeakPolarHBondContact OH-CB 3.2Å; Y388-L406 HydrophobicContact CE2-CB 4.35Å; Y388-A407 PolarHBondContact OH-O 3.29Å; Y388-F409 HydrophobicContact CD2-CD1 4.01Å; Y388-F409 HydrophobicContact CD2-CE1 4.19Å; Y388-F409 AromaticContact CE2-CD1 3.82Å; Y388-F409 HydrophobicContact CE2-CD1 3.82Å; Y388-F409 AromaticContact CE2-CE1 3.9Å; Y388-F409 HydrophobicContact CE2-CE1 3.9Å; Y388-M411 CarbonylContact O-C 3.5Å; Y388-D446 PolarHBondContact N-OD2 3.02Å
389	R	96.9	Very high	96.7	Very high	18 Å²	18	18 Å²	18	7%	0.068	8%	0.08	C	C	.	.			trans	63.3	5.5	171.4	-50.1	-171.1	-62.8	173.2	-0.4	117.8	L387 M411 C426 G427 Y441 V445 D446	L387-R389 HydrophobicContact CB-CG 3.59Å; L387-R389 HydrophobicContact CD1-CG 4.37Å; R389-M411 VanDerWaalsContact CZ-O 3.28Å; R389-M411 PolarHBondContact NE-O 3.24Å; R389-M411 PolarHBondContact NH2-O 3.37Å; R389-C426 PolarHBondContact NH1-SG 3.27Å; R389-C426 VanDerWaalsContact NH1-SG 3.4Å; R389-G427 WeakPolarHBondContact O-CA 3.41Å; R389-Y441 WeakPolarHBondContact CD-OH 3.45Å; R389-Y441 HydrophobicContact CG-CE2 4.47Å; R389-Y441 PolarHBondContact NH1-OH 2.87Å; R389-V445 HydrophobicContact CG-CG2 4.37Å; R389-D446 WeakPolarHBondContact CA-OD1 3.34Å; R389-D446 PolarHBondContact N-OD1 3.14Å
390	D	95.7	Very high	96.4	Very high	3 Å²	3	19.4 Å²	19.4	2%	0.016	9%	0.092	C	C	.	.			trans	-140.1	42.3	176.6	-163.1	30.3	0	0	0	112.3	A27 Y388 K392 N395 M411 T428	A27-D390 WeakPolarHBondContact CB-OD1 3.43Å; A27-D390 WeakPolarHBondContact CB-OD2 3.32Å; Y388-D390 WeakPolarHBondContact CE1-O 3.43Å; Y388-D390 PolarHBondContact O-N 3.13Å; Y388-D390 VanDerWaalsContact O-N 3.15Å; D390-K392 PolarHBondContact O-N 3.35Å; D390-K392 IonicContact OD1-NZ 3.61Å; D390-K392 PolarHBondContact OD1-NZ 2.98Å; D390-K392 IonicContact OD2-NZ 2.85Å; D390-K392 PolarHBondContact OD2-NZ 2.82Å; D390-N395 VanDerWaalsContact CG-ND2 3.31Å; D390-N395 PolarHBondContact O-ND2 3.46Å; D390-N395 PolarHBondContact OD2-ND2 3.36Å; D390-M411 HydrophobicContact CB-CB 3.63Å; D390-M411 HydrophobicContact CB-CG 3.74Å; D390-T428 PolarHBondContact OD1-OG1 2.98Å
391	L	97.5	Very high	96.1	Very high	1 Å²	1	22 Å²	22	1%	0.005	11%	0.108	C	C	.	.			trans	-72.6	118.5	174.9	-168.7	72.6	0	0	0	110.4	V374 L378 Y388 I396 L406 Y431 A449 L450 L453	V374-L391 HydrophobicContact CG1-CD1 3.65Å; V374-L391 HydrophobicContact CG1-CD2 3.98Å; V374-L391 HydrophobicContact CG1-CG 4.46Å; L378-L391 HydrophobicContact CD1-CD2 4.27Å; Y388-L391 HydrophobicContact CD1-CB 3.97Å; Y388-L391 HydrophobicContact CD1-CD1 4.37Å; Y388-L391 HydrophobicContact CE1-CB 4.06Å; Y388-L391 HydrophobicContact CE1-CD1 4.1Å; L391-I396 HydrophobicContact CD1-CD1 4.13Å; L391-I396 HydrophobicContact CD1-CG1 4.37Å; L391-L406 HydrophobicContact CD1-CD2 3.96Å; L391-Y431 WeakPolarHBondContact O-CB 3.11Å; L391-Y431 WeakPolarHBondContact O-CD1 3.21Å; L391-A449 HydrophobicContact CB-CB 3.92Å; L391-A449 HydrophobicContact CD2-CB 4.3Å; L391-L450 HydrophobicContact CD2-CB 3.9Å; L391-L450 HydrophobicContact CD2-CD1 4.19Å; L391-L453 HydrophobicContact CD2-CD2 4.34Å; L391-L453 HydrophobicContact CG-CD2 4.5Å
392	K	95.6	Very high	96	Very high	9 Å²	9	22 Å²	22	4%	0.039	11%	0.108	C	C	.	.	S	Bend	trans	-161.7	163.5	177.2	63	-173.1	177.2	-127.8	0	110.2	D390 D394 N395 I396 T428 Y431	D390-K392 PolarHBondContact O-N 3.35Å; D390-K392 IonicContact OD1-NZ 3.61Å; D390-K392 PolarHBondContact OD1-NZ 2.98Å; D390-K392 IonicContact OD2-NZ 2.85Å; D390-K392 PolarHBondContact OD2-NZ 2.82Å; K392-D394 VanDerWaalsContact C-N 3.25Å; K392-D394 HydrophobicContact CD-CB 4.34Å; K392-D394 HydrophobicContact CG-CB 4.22Å; K392-D394 PolarHBondContact O-N 3.5Å; K392-N395 WeakPolarHBondContact CE-ND2 3.46Å; K392-N395 WeakPolarHBondContact CE-OD1 3.27Å; K392-N395 HydrophobicContact CG-CB 4.15Å; K392-N395 PolarHBondContact O-N 3.49Å; K392-N395 VanDerWaalsContact O-N 3.14Å; K392-I396 WeakPolarHBondContact O-CG1 3.45Å; K392-T428 HydrophobicContact CD-CG2 4.31Å; K392-T428 VanDerWaalsContact CD-OG1 3.3Å; K392-T428 WeakPolarHBondContact CD-OG1 3.41Å; K392-T428 PolarHBondContact NZ-OG1 3.43Å; K392-Y431 HydrophobicContact CB-CD2 3.82Å; K392-Y431 HydrophobicContact CB-CE1 4.18Å; K392-Y431 HydrophobicContact CB-CE2 3.38Å; K392-Y431 HydrophobicContact CB-CG 4.36Å
393	L	95.3	Very high	96	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	-60.1	-31.6	-177.2	-67.3	166.1	0	0	0	113.7	F19 L352 M353 I356 N395 I396 Y431 L453 E456 M457	F19-L393 HydrophobicContact CE1-CD1 3.92Å; F19-L393 HydrophobicContact CZ-CD1 4.16Å; L352-L393 HydrophobicContact CB-CB 4.33Å; L352-L393 HydrophobicContact CB-CD2 3.81Å; L352-L393 HydrophobicContact CD1-CD2 4.31Å; L352-L393 PolarHBondContact N-O 2.83Å; M353-L393 HydrophobicContact CB-CB 3.92Å; M353-L393 HydrophobicContact CE-CB 4.02Å; M353-L393 HydrophobicContact CE-CD1 4.21Å; M353-L393 PolarHBondContact N-O 3.32Å; M353-L393 HydrophobicContact SD-CD1 4.47Å; I356-L393 HydrophobicContact CD1-CD1 4.42Å; I356-L393 HydrophobicContact CG2-CD1 3.88Å; L393-N395 VanDerWaalsContact C-N 3.33Å; L393-N395 PolarHBondContact O-N 3.32Å; L393-I396 PolarHBondContact O-N 2.84Å; L393-Y431 PolarHBondContact N-OH 3.37Å; L393-L453 HydrophobicContact CD2-CD1 3.79Å; L393-L453 HydrophobicContact CD2-CG 4.4Å; L393-L453 HydrophobicContact CG-CD1 3.85Å; L393-E456 HydrophobicContact CD1-CB 4.39Å; L393-E456 VanDerWaalsContact CD1-OE2 3.29Å; L393-E456 WeakPolarHBondContact CD1-OE2 3.29Å; L393-M457 HydrophobicContact CD2-CG 3.97Å
394	D	92.3	Very high	96.1	Very high	24 Å²	24	15.5 Å²	15.5	13%	0.128	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-67.1	-29.7	178.2	-58.3	-100.2	0	0	0	113.7	R24 D351 M353 K392	R24-D394 WeakPolarHBondContact CD-OD1 2.97Å; R24-D394 WeakPolarHBondContact CG-OD1 3.3Å; R24-D394 IonicContact NH1-OD1 3.76Å; R24-D394 PolarHBondContact NH1-OD1 3.36Å; D351-D394 WeakPolarHBondContact CB-O 2.93Å; M353-D394 VanDerWaalsContact CE-OD2 3.26Å; M353-D394 WeakPolarHBondContact CE-OD2 3.37Å; K392-D394 VanDerWaalsContact C-N 3.25Å; K392-D394 HydrophobicContact CD-CB 4.34Å; K392-D394 HydrophobicContact CG-CB 4.22Å; K392-D394 PolarHBondContact O-N 3.5Å
395	N	95.2	Very high	96.2	Very high	14 Å²	14	13.4 Å²	13.4	8%	0.075	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	-93.1	0.7	-176.5	-73.2	-7.4	0	0	0	113	Y388 D390 K392 L393 A407	Y388-N395 WeakPolarHBondContact OH-CB 3.2Å; D390-N395 VanDerWaalsContact CG-ND2 3.31Å; D390-N395 PolarHBondContact O-ND2 3.46Å; D390-N395 PolarHBondContact OD2-ND2 3.36Å; K392-N395 WeakPolarHBondContact CE-ND2 3.46Å; K392-N395 WeakPolarHBondContact CE-OD1 3.27Å; K392-N395 HydrophobicContact CG-CB 4.15Å; K392-N395 PolarHBondContact O-N 3.49Å; K392-N395 VanDerWaalsContact O-N 3.14Å; L393-N395 VanDerWaalsContact C-N 3.33Å; L393-N395 PolarHBondContact O-N 3.32Å; N395-A407 PolarHBondContact O-N 2.77Å
396	I	97.7	Very high	96.2	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	98.6	177.9	-55.1	171.2	0	0	0	107.9	D351 L352 V374 L391 K392 L393 V404 L406 L453	D351-I396 CarbonylContact C-O 3.58Å; D351-I396 WeakPolarHBondContact CA-O 3.32Å; L352-I396 HydrophobicContact CB-CB 4.37Å; L352-I396 HydrophobicContact CD1-CB 3.86Å; L352-I396 HydrophobicContact CD1-CD1 4.06Å; L352-I396 HydrophobicContact CD1-CG2 3.5Å; L352-I396 HydrophobicContact CG-CB 3.96Å; L352-I396 HydrophobicContact CG-CG2 3.77Å; L352-I396 PolarHBondContact N-O 3.13Å; V374-I396 HydrophobicContact CG2-CD1 4.02Å; V374-I396 HydrophobicContact CG2-CG2 4.49Å; L391-I396 HydrophobicContact CD1-CD1 4.13Å; L391-I396 HydrophobicContact CD1-CG1 4.37Å; K392-I396 WeakPolarHBondContact O-CG1 3.45Å; L393-I396 PolarHBondContact O-N 2.84Å; I396-V404 HydrophobicContact CG2-CB 3.65Å; I396-V404 HydrophobicContact CG2-CG1 3.63Å; I396-L406 HydrophobicContact CB-CD2 4.48Å; I396-L406 HydrophobicContact CD1-CD2 4.47Å; I396-L406 HydrophobicContact CG1-CD2 3.7Å; I396-L406 HydrophobicContact CG2-CD2 4.44Å; I396-L453 HydrophobicContact CD1-CD1 3.58Å; I396-L453 HydrophobicContact CD1-CD2 3.49Å; I396-L453 VanDerWaalsContact CD1-CD2 3.49Å; I396-L453 HydrophobicContact CD1-CG 4.15Å
397	L	97.4	Very high	96.1	Very high	33 Å²	33	13.6 Å²	13.6	17%	0.173	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	157.8	179	-53.2	-176.5	0	0	0	110.8	V347 G350 D351 V404 K405 A407	V347-L397 HydrophobicContact CB-CB 4.03Å; V347-L397 HydrophobicContact CB-CD1 3.9Å; V347-L397 HydrophobicContact CG1-CB 3.51Å; V347-L397 HydrophobicContact CG1-CD1 4.34Å; V347-L397 HydrophobicContact CG2-CD1 4.26Å; G350-L397 CarbonylContact O-C 3.58Å; G350-L397 VanDerWaalsContact O-CA 3.29Å; G350-L397 WeakPolarHBondContact O-CA 3.1Å; D351-L397 HydrophobicContact CB-CD2 3.9Å; L397-V404 CarbonylContact O-C 3.49Å; L397-V404 VanDerWaalsContact O-CA 3.24Å; L397-V404 WeakPolarHBondContact O-CA 3.18Å; L397-K405 HydrophobicContact CB-CB 4.34Å; L397-K405 PolarHBondContact N-O 3.18Å; L397-K405 PolarHBondContact O-N 3.12Å; L397-A407 HydrophobicContact CD1-CB 3.62Å; L397-A407 HydrophobicContact CG-CB 3.82Å
398	L	96.2	Very high	95.9	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	131.4	173.1	-66.2	-177.9	0	0	0	111.1	V347 G349 G350 L352 Q355 Y370 H403 V404 F542 P544	V347-L398 WeakPolarHBondContact CG1-O 3.5Å; G349-L398 WeakPolarHBondContact CA-O 3.39Å; G349-L398 PolarHBondContact N-O 3.09Å; G350-L398 PolarHBondContact O-N 3.5Å; L352-L398 HydrophobicContact CD2-CD1 3.94Å; L352-L398 HydrophobicContact CD2-CD2 3.81Å; L352-L398 HydrophobicContact CD2-CG 3.94Å; Q355-L398 HydrophobicContact CG-CD1 3.9Å; Y370-L398 HydrophobicContact CE1-CD2 3.86Å; L398-H403 WeakPolarHBondContact CA-O 3.45Å; L398-V404 HydrophobicContact CD2-CG1 4.07Å; L398-F542 HydrophobicContact CD1-CD1 4.02Å; L398-F542 HydrophobicContact CD1-CE1 4.17Å; L398-P544 HydrophobicContact CB-CG 4.04Å; L398-P544 HydrophobicContact CD1-CG 4.19Å
399	D	94.1	Very high	95.8	Very high	22 Å²	22	16.4 Å²	16.4	12%	0.118	9%	0.091	C	C	.	.			trans	-74.2	179.2	169.7	70.9	21.3	0	0	0	112.4	V347 D401 G402 H403 K536	V347-D399 HydrophobicContact CG1-CB 4.42Å; D399-D401 PolarHBondContact O-N 3.02Å; D399-D401 VanDerWaalsContact O-N 3.17Å; D399-D401 WeakPolarHBondContact OD1-CA 3.32Å; D399-D401 PolarHBondContact OD1-N 2.86Å; D399-G402 PolarHBondContact O-N 2.96Å; D399-G402 VanDerWaalsContact O-N 3.11Å; D399-G402 PolarHBondContact OD1-N 2.86Å; D399-H403 PolarHBondContact N-O 2.95Å; D399-H403 PolarHBondContact OD1-N 2.97Å; D399-K536 IonicContact OD2-NZ 2.68Å; D399-K536 PolarHBondContact OD2-NZ 3.47Å
400	A	91.5	Very high	95.5	Very high	30 Å²	30	16 Å²	16	25%	0.248	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-17.8	-177.2	0	0	0	0	0	114.1	K543 L546	A400-K543 VanDerWaalsContact O-CE 3.29Å; A400-K543 WeakPolarHBondContact O-CE 3.44Å; A400-L546 HydrophobicContact CB-CD1 3.7Å
401	D	93.1	Very high	95.4	Very high	86 Å²	86	16.7 Å²	16.7	46%	0.46	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-12.9	177.6	-68.4	-53.3	0	0	0	112.7	D399 A540 K543	D399-D401 PolarHBondContact O-N 3.02Å; D399-D401 VanDerWaalsContact O-N 3.17Å; D399-D401 WeakPolarHBondContact OD1-CA 3.32Å; D399-D401 PolarHBondContact OD1-N 2.86Å; D401-A540 WeakPolarHBondContact O-CB 3.4Å; D401-K543 IonicContact OD1-NZ 3.43Å; D401-K543 PolarHBondContact OD1-NZ 2.86Å
402	G	95.4	Very high	95.3	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.096	C	C	.	.	S	Bend	trans	100.1	13.4	173.6	0	0	0	0	0	114.5	D399 A540 F542	D399-G402 PolarHBondContact O-N 2.96Å; D399-G402 VanDerWaalsContact O-N 3.11Å; D399-G402 PolarHBondContact OD1-N 2.86Å; G402-A540 WeakPolarHBondContact O-CB 3.24Å; G402-F542 WeakPolarHBondContact CA-O 3.47Å
403	H	97.9	Very high	95.3	Very high	11 Å²	11	20.1 Å²	20.1	5%	0.051	11%	0.111	C	C	.	.			trans	-82.1	150.4	171.7	-66.1	-86.9	0	0	0	110.7	F326 F369 E373 L398 D399 V538	F326-H403 HydrophobicContact CE1-CB 4.28Å; F369-H403 AromaticContact CZ-CE1 3.86Å; F369-H403 AromaticContact CZ-ND1 3.68Å; E373-H403 IonicContact OE1-CE1 3.23Å; E373-H403 IonicContact OE1-CG 2.72Å; E373-H403 IonicContact OE1-ND1 3.76Å; E373-H403 PolarHBondContact OE1-ND1 2.89Å; L398-H403 WeakPolarHBondContact CA-O 3.45Å; D399-H403 PolarHBondContact N-O 2.95Å; D399-H403 PolarHBondContact OD1-N 2.97Å; H403-V538 PolarHBondContact CE1-O 2.03Å
404	V	98.1	Very high	95.3	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	151.7	179.7	-53.1	0	0	0	0	112.6	F326 Y370 E373 V374 I396 L397 L398	F326-V404 WeakPolarHBondContact CA-O 3.4Å; F326-V404 HydrophobicContact CB-CG2 4.1Å; F326-V404 HydrophobicContact CD1-CG2 4.32Å; F326-V404 WeakPolarHBondContact CD1-O 3.3Å; F326-V404 HydrophobicContact CG-CG2 4.34Å; Y370-V404 HydrophobicContact CD1-CG1 3.51Å; Y370-V404 HydrophobicContact CE1-CG1 4.22Å; Y370-V404 HydrophobicContact CG-CG1 4.11Å; E373-V404 HydrophobicContact CB-CG2 3.34Å; E373-V404 HydrophobicContact CG-CG2 4.33Å; E373-V404 WeakPolarHBondContact OE2-CG1 3.43Å; E373-V404 WeakPolarHBondContact OE2-CG2 3.48Å; E373-V404 PolarHBondContact OE2-N 3.22Å; V374-V404 HydrophobicContact CG2-CG2 4.32Å; I396-V404 HydrophobicContact CG2-CB 3.65Å; I396-V404 HydrophobicContact CG2-CG1 3.63Å; L397-V404 CarbonylContact O-C 3.49Å; L397-V404 VanDerWaalsContact O-CA 3.24Å; L397-V404 WeakPolarHBondContact O-CA 3.18Å; L398-V404 HydrophobicContact CD2-CG1 4.07Å
405	K	98.2	Very high	95.4	Very high	19 Å²	19	25.5 Å²	25.5	8%	0.083	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	112.3	166.7	-73.3	-85.9	-174.4	169.1	0	107.4	P325 F326 L327 E345 V347 L397 A407	P325-K405 WeakPolarHBondContact O-CE 3.43Å; P325-K405 PolarHBondContact O-NZ 3.14Å; F326-K405 WeakPolarHBondContact O-CA 3.4Å; L327-K405 VanDerWaalsContact O-CD 3.26Å; L327-K405 WeakPolarHBondContact O-CD 3.26Å; L327-K405 PolarHBondContact O-NZ 2.57Å; E345-K405 VanDerWaalsContact CD-NZ 3.34Å; E345-K405 WeakPolarHBondContact OE1-CE 3.25Å; E345-K405 IonicContact OE1-NZ 2.82Å; E345-K405 PolarHBondContact OE1-NZ 3.39Å; E345-K405 WeakPolarHBondContact OE2-CE 3.49Å; E345-K405 IonicContact OE2-NZ 3.33Å; E345-K405 PolarHBondContact OE2-NZ 2.91Å; E345-K405 VanDerWaalsContact OE2-NZ 3.14Å; V347-K405 HydrophobicContact CG1-CB 4.23Å; V347-K405 HydrophobicContact CG1-CG 4.21Å; V347-K405 HydrophobicContact CG2-CB 4.14Å; V347-K405 HydrophobicContact CG2-CG 4.06Å; L397-K405 HydrophobicContact CB-CB 4.34Å; L397-K405 PolarHBondContact N-O 3.18Å; L397-K405 PolarHBondContact O-N 3.12Å; K405-A407 PolarHBondContact O-N 2.91Å
406	L	98.5	Very high	95.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	127.6	169.5	-59.9	-172.4	0	0	0	109.1	F326 L327 T328 V374 A377 Y388 L391 I396 F409	F326-L406 PolarHBondContact O-N 2.89Å; L327-L406 HydrophobicContact CD2-CB 3.77Å; L327-L406 HydrophobicContact CD2-CD1 3.98Å; L327-L406 HydrophobicContact CD2-CG 4.14Å; T328-L406 PolarHBondContact N-O 3Å; T328-L406 PolarHBondContact OG1-O 2.78Å; T328-L406 VanDerWaalsContact OG1-O 3.1Å; V374-L406 HydrophobicContact CG1-CD2 4.45Å; V374-L406 HydrophobicContact CG2-CD2 4.14Å; A377-L406 HydrophobicContact CB-CD1 3.71Å; A377-L406 HydrophobicContact CB-CG 4.15Å; Y388-L406 HydrophobicContact CE2-CB 4.35Å; L391-L406 HydrophobicContact CD1-CD2 3.96Å; I396-L406 HydrophobicContact CB-CD2 4.48Å; I396-L406 HydrophobicContact CD1-CD2 4.47Å; I396-L406 HydrophobicContact CG1-CD2 3.7Å; I396-L406 HydrophobicContact CG2-CD2 4.44Å; L406-F409 VanDerWaalsContact O-CZ 3.23Å; L406-F409 WeakPolarHBondContact O-CZ 3.45Å
407	A	95.9	Very high	94.7	Very high	14 Å²	14	29.5 Å²	29.5	12%	0.116	16%	0.155	C	C	.	.			trans	-116.3	-179.5	179	0	0	0	0	0	111.3	Y388 N395 L397 K405	Y388-A407 PolarHBondContact OH-O 3.29Å; N395-A407 PolarHBondContact O-N 2.77Å; L397-A407 HydrophobicContact CD1-CB 3.62Å; L397-A407 HydrophobicContact CG-CB 3.82Å; K405-A407 PolarHBondContact O-N 2.91Å
408	D	92.8	Very high	94	Very high	60 Å²	60	35.7 Å²	35.7	32%	0.321	19%	0.189	S	C	.	.			trans	51.2	73.6	177.7	-157.7	7.1	0	0	0	115.4	K295 G410	K295-D408 IonicContact NZ-OD1 3.14Å; K295-D408 PolarHBondContact NZ-OD1 3.08Å; D408-G410 PolarHBondContact O-N 2.98Å; D408-G410 PolarHBondContact OD1-N 3.09Å
409	F	95.4	Very high	93.4	Very high	1 Å²	1	39 Å²	39	0%	0.004	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-80.7	11.4	176.7	-56.8	-82.7	0	0	0	113.2	E314 V317 L318 A321 L327 L381 Y388 L406 M411 C412	E314-F409 HydrophobicContact CG-CB 4.22Å; V317-F409 HydrophobicContact CB-CB 4.25Å; V317-F409 HydrophobicContact CB-CG 4.49Å; V317-F409 HydrophobicContact CG1-CB 3.95Å; V317-F409 HydrophobicContact CG1-CD1 3.45Å; V317-F409 VanDerWaalsContact CG1-CD1 3.45Å; V317-F409 HydrophobicContact CG1-CE1 4.11Å; V317-F409 HydrophobicContact CG1-CG 3.76Å; L318-F409 HydrophobicContact CD2-CD2 3.4Å; L318-F409 HydrophobicContact CD2-CE2 3.63Å; L318-F409 HydrophobicContact CG-CD2 3.65Å; L318-F409 HydrophobicContact CG-CE2 4.33Å; L318-F409 HydrophobicContact CG-CG 4.46Å; A321-F409 HydrophobicContact CB-CE2 4.35Å; A321-F409 HydrophobicContact CB-CZ 4.17Å; L327-F409 HydrophobicContact CB-CZ 4.08Å; L327-F409 HydrophobicContact CD2-CE1 3.95Å; L327-F409 HydrophobicContact CD2-CZ 3.96Å; L327-F409 HydrophobicContact CG-CZ 4.49Å; L381-F409 HydrophobicContact CD1-CE1 4.44Å; Y388-F409 HydrophobicContact CD2-CD1 4.01Å; Y388-F409 HydrophobicContact CD2-CE1 4.19Å; Y388-F409 AromaticContact CE2-CD1 3.82Å; Y388-F409 HydrophobicContact CE2-CD1 3.82Å; Y388-F409 AromaticContact CE2-CE1 3.9Å; Y388-F409 HydrophobicContact CE2-CE1 3.9Å; L406-F409 VanDerWaalsContact O-CZ 3.23Å; L406-F409 WeakPolarHBondContact O-CZ 3.45Å; F409-M411 PolarHBondContact O-N 2.79Å; F409-M411 VanDerWaalsContact O-N 3.1Å; F409-C412 VanDerWaalsContact O-CB 3.31Å; F409-C412 WeakPolarHBondContact O-CB 3.16Å; F409-C412 PolarHBondContact O-N 3.48Å
410	G	92.2	Very high	93.3	Very high	10 Å²	10	41.8 Å²	41.8	10%	0.103	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-57.5	-26.8	-179.2	0	0	0	0	0	112.9	R29 E314 D408	R29-G410 VanDerWaalsContact CZ-O 3.31Å; R29-G410 PolarHBondContact NH1-O 3.32Å; R29-G410 PolarHBondContact NH2-O 3.13Å; E314-G410 WeakPolarHBondContact OE2-CA 3.42Å; D408-G410 PolarHBondContact O-N 2.98Å; D408-G410 PolarHBondContact OD1-N 3.09Å
411	M	92.1	Very high	93.3	Very high	16 Å²	16	44.8 Å²	44.8	8%	0.079	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-91	-4.3	179.2	-67	-57.5	177.9	0	0	115.6	A27 R29 Y388 R389 D390 F409 C426	A27-M411 HydrophobicContact CB-CE 3.55Å; A27-M411 HydrophobicContact CB-CG 4.36Å; R29-M411 HydrophobicContact CB-CE 3.81Å; R29-M411 HydrophobicContact CB-SD 4.02Å; R29-M411 VanDerWaalsContact CZ-SD 3.6Å; R29-M411 PolarHBondContact NE-SD 3.36Å; R29-M411 VanDerWaalsContact NH2-CA 3.32Å; Y388-M411 CarbonylContact O-C 3.5Å; R389-M411 VanDerWaalsContact CZ-O 3.28Å; R389-M411 PolarHBondContact NE-O 3.24Å; R389-M411 PolarHBondContact NH2-O 3.37Å; D390-M411 HydrophobicContact CB-CB 3.63Å; D390-M411 HydrophobicContact CB-CG 3.74Å; F409-M411 PolarHBondContact O-N 2.79Å; F409-M411 VanDerWaalsContact O-N 3.1Å; M411-C426 HydrophobicContact SD-CB 4.09Å
412	C	97	Very high	93.2	Very high	3 Å²	3	41 Å²	41	2%	0.02	23%	0.232	C	C	.	.			trans	-62.7	153.7	-175.3	-74.8	0	0	0	0	113.3	V313 V317 I386 L387 F409	V313-C412 HydrophobicContact CG1-CB 4.29Å; V317-C412 HydrophobicContact CG2-CB 4Å; I386-C412 HydrophobicContact CG2-CB 3.99Å; L387-C412 CarbonylContact O-C 3.56Å; L387-C412 WeakPolarHBondContact O-CA 3.41Å; L387-C412 WeakPolarHBondContact O-CB 3.28Å; F409-C412 VanDerWaalsContact O-CB 3.31Å; F409-C412 WeakPolarHBondContact O-CB 3.16Å; F409-C412 PolarHBondContact O-N 3.48Å
413	K	95.7	Very high	92.8	Very high	80 Å²	80	44 Å²	44	35%	0.348	25%	0.253	S	S	.	.	B	Isolated β-bridge	trans	-131.7	118.5	171.6	-176.6	69.3	174.6	-178.2	0	109.5	I386 L387 V416 T422	I386-K413 CarbonylContact C-O 3.56Å; I386-K413 VanDerWaalsContact CA-O 3.25Å; I386-K413 WeakPolarHBondContact CA-O 3.42Å; L387-K413 HydrophobicContact CB-CB 4.3Å; L387-K413 HydrophobicContact CD1-CB 4.49Å; L387-K413 HydrophobicContact CG-CB 4.5Å; L387-K413 PolarHBondContact N-O 2.87Å; L387-K413 PolarHBondContact O-N 3.06Å; K413-V416 HydrophobicContact CB-CG2 4.25Å; K413-V416 HydrophobicContact CG-CG2 3.61Å; K413-T422 HydrophobicContact CG-CG2 4.27Å
414	E	95.4	Very high	92.3	Very high	40 Å²	40	45 Å²	45	19%	0.187	26%	0.26	C	S	.	.			trans	-89.6	175.5	173.9	64.1	174.5	-154.5	0	0	112.5	V313 R316 G385 I386 V416	V313-E414 HydrophobicContact CG1-CB 4.42Å; V313-E414 HydrophobicContact CG1-CG 4.17Å; V313-E414 HydrophobicContact CG2-CG 3.9Å; R316-E414 IonicContact CZ-OE1 3.32Å; R316-E414 IonicContact CZ-OE2 3.89Å; R316-E414 IonicContact NE-OE1 3.62Å; R316-E414 PolarHBondContact NE-OE1 3.36Å; R316-E414 IonicContact NE-OE2 3.25Å; R316-E414 PolarHBondContact NE-OE2 3.14Å; R316-E414 VanDerWaalsContact NH2-CD 3.3Å; R316-E414 IonicContact NH2-OE1 3.14Å; R316-E414 PolarHBondContact NH2-OE1 3.46Å; R316-E414 IonicContact NH2-OE2 2.66Å; R316-E414 PolarHBondContact NH2-OE2 3.41Å; G385-E414 CarbonylContact O-C 3.52Å; G385-E414 WeakPolarHBondContact O-CA 3.26Å; I386-E414 HydrophobicContact CG1-CB 4.18Å; E414-V416 PolarHBondContact O-N 2.96Å
415	N	93.3	Very high	91.8	Very high	97 Å²	97	46.5 Å²	46.5	52%	0.519	27%	0.266	S	S	.	.			trans	63.2	25.1	179.3	-55.6	-43.7	0	0	0	114.2	G385 K417 V420	G385-N415 PolarHBondContact O-N 3.35Å; G385-N415 VanDerWaalsContact O-N 3.08Å; N415-K417 PolarHBondContact O-N 3.38Å; N415-V420 WeakPolarHBondContact O-CB 3.37Å; N415-V420 VanDerWaalsContact O-CG1 3.3Å; N415-V420 WeakPolarHBondContact O-CG1 3.31Å
416	V	90.5	Very high	91.3	Very high	8 Å²	8	45.8 Å²	45.8	5%	0.048	26%	0.264	C	S	.	.			trans	-96.9	65.7	177.1	-167.6	0	0	0	0	109.5	G385 L387 K413 E414 V420	G385-V416 PolarHBondContact O-N 3.26Å; L387-V416 HydrophobicContact CD1-CB 4.36Å; L387-V416 HydrophobicContact CD1-CG1 3.98Å; L387-V416 HydrophobicContact CD1-CG2 4Å; L387-V416 HydrophobicContact CD2-CB 4.27Å; L387-V416 HydrophobicContact CD2-CG1 4.05Å; L387-V416 HydrophobicContact CG-CB 4.01Å; L387-V416 HydrophobicContact CG-CG1 4.03Å; L387-V416 HydrophobicContact CG-CG2 3.87Å; K413-V416 HydrophobicContact CB-CG2 4.25Å; K413-V416 HydrophobicContact CG-CG2 3.61Å; E414-V416 PolarHBondContact O-N 2.96Å; V416-V420 WeakPolarHBondContact CG1-O 3.46Å
417	K	87.1	Confident	90.9	Very high	89 Å²	89	45.9 Å²	45.9	39%	0.387	27%	0.265	S	S	.	.			trans	-128.1	165.5	174.3	-72.5	-171.3	-178.9	-177.9	0	110.6	R383 G385 N415 G419 V420	R383-K417 WeakPolarHBondContact O-CE 3.28Å; R383-K417 PolarHBondContact O-NZ 2.83Å; G385-K417 VanDerWaalsContact CA-CG 3.43Å; N415-K417 PolarHBondContact O-N 3.38Å; K417-G419 VanDerWaalsContact C-N 3.26Å; K417-G419 PolarHBondContact O-N 3.36Å; K417-V420 WeakPolarHBondContact O-CB 3.47Å; K417-V420 WeakPolarHBondContact O-CG2 3.33Å; K417-V420 PolarHBondContact O-N 3.46Å
418	N	84.3	Confident	90.6	Very high	164 Å²	164	45.5 Å²	45.5	88%	0.877	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	38.3	171.3	-53	-24.9	0	0	0	113.1	V420	N418-V420 VanDerWaalsContact C-N 3.3Å; N418-V420 PolarHBondContact O-N 3.35Å
419	G	83.9	Confident	90.5	Very high	69 Å²	69	42.8 Å²	42.8	71%	0.711	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.3	-0.2	-179.8	0	0	0	0	0	115.2	K417 L421	K417-G419 VanDerWaalsContact C-N 3.26Å; K417-G419 PolarHBondContact O-N 3.36Å; G419-L421 PolarHBondContact O-N 3.33Å
420	V	90.5	Very high	90.3	Very high	81 Å²	81	43.1 Å²	43.1	49%	0.491	25%	0.248	S	C	.	.			trans	-66.8	125.7	168.9	179.4	0	0	0	0	108.6	N415 V416 K417 N418	N415-V420 WeakPolarHBondContact O-CB 3.37Å; N415-V420 VanDerWaalsContact O-CG1 3.3Å; N415-V420 WeakPolarHBondContact O-CG1 3.31Å; V416-V420 WeakPolarHBondContact CG1-O 3.46Å; K417-V420 WeakPolarHBondContact O-CB 3.47Å; K417-V420 WeakPolarHBondContact O-CG2 3.33Å; K417-V420 PolarHBondContact O-N 3.46Å; N418-V420 VanDerWaalsContact C-N 3.3Å; N418-V420 PolarHBondContact O-N 3.35Å
421	L	92.4	Very high	90.5	Very high	92 Å²	92	43.2 Å²	43.2	48%	0.482	25%	0.246	S	C	.	.			trans	-114.1	172.2	178.4	-57.9	178.8	0	0	0	110.5	G419 D440 Y441	G419-L421 PolarHBondContact O-N 3.33Å; L421-D440 HydrophobicContact CB-CB 3.75Å; L421-D440 HydrophobicContact CD1-CB 3.92Å; L421-Y441 WeakPolarHBondContact CA-O 3.47Å
422	T	90.7	Very high	90.6	Very high	7 Å²	7	42.9 Å²	42.9	4%	0.043	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-128.7	151	175.3	-177.5	0	0	0	0	111.1	L387 K413 D440 Y441	L387-T422 HydrophobicContact CD1-CG2 3.69Å; K413-T422 HydrophobicContact CG-CG2 4.27Å; T422-D440 WeakPolarHBondContact O-CA 3.19Å; T422-Y441 HydrophobicContact CG2-CD2 3.92Å; T422-Y441 HydrophobicContact CG2-CE1 4.22Å; T422-Y441 HydrophobicContact CG2-CE2 3.46Å; T422-Y441 VanDerWaalsContact CG2-CE2 3.46Å; T422-Y441 HydrophobicContact CG2-CG 4.48Å; T422-Y441 PolarHBondContact N-O 3.39Å; T422-Y441 VanDerWaalsContact O-CD1 3.29Å; T422-Y441 WeakPolarHBondContact O-CD1 3.39Å; T422-Y441 WeakPolarHBondContact O-CE1 3.48Å; T422-Y441 PolarHBondContact O-N 3.14Å
423	S	87.1	Confident	90.5	Very high	64 Å²	64	42.8 Å²	42.8	45%	0.448	24%	0.244	S	C	.	.			trans	-116.7	-1	-177.6	64.7	0	0	0	0	113.7	F425 D440	S423-F425 PolarHBondContact O-N 3.11Å; S423-D440 WeakPolarHBondContact CB-OD1 3.39Å
424	T	87.4	Confident	90.4	Very high	31 Å²	31	39.6 Å²	39.6	19%	0.19	23%	0.231	C	C	.	.			trans	-65	124.6	-179.1	-48.3	0	0	0	0	110.6	C426 Y441	T424-C426 PolarHBondContact O-N 3.1Å; T424-Y441 WeakPolarHBondContact O-CE1 3.47Å; T424-Y441 PolarHBondContact O-OH 3.06Å
425	F	87.5	Confident	90.3	Very high	31 Å²	31	38.2 Å²	38.2	14%	0.136	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	111.6	175.6	-177	-99.4	0	0	0	110.1	M28 L30 S423 V436 R437 F473	M28-F425 HydrophobicContact CE-CD1 4.21Å; M28-F425 HydrophobicContact CE-CE1 3.17Å; M28-F425 HydrophobicContact CE-CE2 4.42Å; M28-F425 HydrophobicContact CE-CZ 3.3Å; M28-F425 HydrophobicContact SD-CD1 4.39Å; M28-F425 HydrophobicContact SD-CE1 3.56Å; M28-F425 VanDerWaalsContact SD-CE1 3.56Å; M28-F425 HydrophobicContact SD-CZ 4.27Å; L30-F425 HydrophobicContact CB-CB 4.44Å; L30-F425 HydrophobicContact CB-CD1 4.03Å; L30-F425 HydrophobicContact CD1-CD1 3.61Å; L30-F425 HydrophobicContact CD1-CE1 3.81Å; L30-F425 HydrophobicContact CG-CD1 4.04Å; L30-F425 PolarHBondContact N-O 2.84Å; S423-F425 PolarHBondContact O-N 3.11Å; F425-V436 HydrophobicContact CD2-CG1 3.89Å; F425-V436 HydrophobicContact CE2-CG1 4.37Å; F425-R437 HydrophobicContact CE2-CB 4.15Å; F425-R437 HydrophobicContact CE2-CG 4.48Å; F425-F473 HydrophobicContact CE2-CE1 4.35Å; F425-F473 HydrophobicContact CE2-CZ 4.04Å; F425-F473 HydrophobicContact CZ-CE1 4.31Å; F425-F473 AromaticContact CZ-CE2 3.85Å; F425-F473 HydrophobicContact CZ-CE2 3.85Å; F425-F473 AromaticContact CZ-CZ 3.56Å; F425-F473 HydrophobicContact CZ-CZ 3.56Å
426	C	88.3	Confident	90.2	Very high	4 Å²	4	34 Å²	34	3%	0.027	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	162.6	178.3	63.7	0	0	0	0	112.5	M28 R29 R389 M411 T424	M28-C426 CarbonylContact O-C 3.59Å; M28-C426 WeakPolarHBondContact O-CA 3.21Å; M28-C426 WeakPolarHBondContact O-CB 3.05Å; R29-C426 HydrophobicContact CB-CB 4.18Å; R29-C426 HydrophobicContact CG-CB 4.39Å; R389-C426 PolarHBondContact NH1-SG 3.27Å; R389-C426 VanDerWaalsContact NH1-SG 3.4Å; M411-C426 HydrophobicContact SD-CB 4.09Å; T424-C426 PolarHBondContact O-N 3.1Å
427	G	89.5	Confident	89.7	Confident	2 Å²	2	38.4 Å²	38.4	2%	0.021	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	131.2	179.1	176.3	0	0	0	0	0	111.7	M28 R389	M28-G427 VanDerWaalsContact CG-O 3.23Å; M28-G427 WeakPolarHBondContact CG-O 3.4Å; M28-G427 PolarHBondContact N-O 2.85Å; M28-G427 PolarHBondContact O-N 3.2Å; R389-G427 WeakPolarHBondContact O-CA 3.41Å
428	T	90.4	Very high	89.3	Confident	6 Å²	6	39.4 Å²	39.4	4%	0.037	22%	0.224	C	C	.	.			trans	-85.7	126.9	168.2	-74.4	0	0	0	0	109.5	R25 D390 K392 D430 Y431 I432	R25-T428 HydrophobicContact CB-CG2 4.36Å; D390-T428 PolarHBondContact OD1-OG1 2.98Å; K392-T428 HydrophobicContact CD-CG2 4.31Å; K392-T428 VanDerWaalsContact CD-OG1 3.3Å; K392-T428 WeakPolarHBondContact CD-OG1 3.41Å; K392-T428 PolarHBondContact NZ-OG1 3.43Å; T428-D430 VanDerWaalsContact C-N 3.26Å; T428-D430 PolarHBondContact O-N 2.79Å; T428-Y431 HydrophobicContact CG2-CD2 3.77Å; T428-Y431 HydrophobicContact CG2-CE2 4.13Å; T428-Y431 PolarHBondContact O-N 3.33Å; T428-I432 WeakPolarHBondContact O-CG1 3.48Å; T428-I432 PolarHBondContact O-N 3.1Å
429	P	90.4	Very high	89.4	Confident	3 Å²	3	35.8 Å²	35.8	2%	0.019	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-45	-44.1	-172.1	-31.2	33.5	0	0	0	115.4	M28 Y431 I432 E469 L472	M28-P429 HydrophobicContact CE-CG 4Å; M28-P429 HydrophobicContact SD-CG 4.45Å; P429-Y431 PolarHBondContact O-N 3.45Å; P429-I432 PolarHBondContact O-N 2.83Å; P429-E469 HydrophobicContact CG-CG 4.27Å; P429-L472 HydrophobicContact CB-CD2 3.88Å
430	D	90.5	Very high	89.7	Confident	8 Å²	8	37 Å²	37	4%	0.043	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-62.2	-24.1	-178.7	-55	-108.2	0	0	0	113.9	R22 R25 T428 V452	R22-D430 IonicContact CZ-OD1 2.64Å; R22-D430 VanDerWaalsContact NH2-CG 3.28Å; R22-D430 IonicContact NH2-OD1 3.14Å; R22-D430 PolarHBondContact NH2-OD1 2.97Å; R22-D430 IonicContact NH2-OD2 3Å; R25-D430 VanDerWaalsContact CD-OD2 3.28Å; R25-D430 WeakPolarHBondContact CD-OD2 3.41Å; R25-D430 IonicContact CZ-OD2 2.62Å; R25-D430 IonicContact NH1-OD1 3.49Å; R25-D430 PolarHBondContact NH1-OD1 3.13Å; R25-D430 IonicContact NH1-OD2 2.68Å; R25-D430 PolarHBondContact NH1-OD2 2.71Å; T428-D430 VanDerWaalsContact C-N 3.26Å; T428-D430 PolarHBondContact O-N 2.79Å; D430-V452 WeakPolarHBondContact O-CG1 3.41Å
431	Y	95.9	Very high	89.8	Confident	13 Å²	13	33.5 Å²	33.5	5%	0.051	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-110.7	-3.9	-174.2	-60.1	-94.9	0	0	0	113.5	L391 K392 L393 T428 P429 A433 V452 L453 E456	L391-Y431 WeakPolarHBondContact O-CB 3.11Å; L391-Y431 WeakPolarHBondContact O-CD1 3.21Å; K392-Y431 HydrophobicContact CB-CD2 3.82Å; K392-Y431 HydrophobicContact CB-CE1 4.18Å; K392-Y431 HydrophobicContact CB-CE2 3.38Å; K392-Y431 HydrophobicContact CB-CG 4.36Å; L393-Y431 PolarHBondContact N-OH 3.37Å; T428-Y431 HydrophobicContact CG2-CD2 3.77Å; T428-Y431 HydrophobicContact CG2-CE2 4.13Å; T428-Y431 PolarHBondContact O-N 3.33Å; P429-Y431 PolarHBondContact O-N 3.45Å; Y431-A433 PolarHBondContact O-N 3.44Å; Y431-V452 HydrophobicContact CD1-CB 3.84Å; Y431-V452 HydrophobicContact CD1-CG1 3.51Å; Y431-V452 HydrophobicContact CE1-CB 4.36Å; Y431-V452 HydrophobicContact CE1-CG1 3.76Å; Y431-V452 HydrophobicContact CG-CG1 4.14Å; Y431-L453 HydrophobicContact CE1-CB 4.32Å; Y431-L453 HydrophobicContact CE1-CD1 4.19Å; Y431-E456 PolarHBondContact OH-OE2 2.91Å
432	I	94.4	Very high	89.9	Confident	8 Å²	8	29.5 Å²	29.5	4%	0.041	15%	0.154	C	C	.	.			trans	-71	131.3	-177.4	-73.2	170.1	0	0	0	110.2	M28 T428 P429 V436 W448 F473	M28-I432 HydrophobicContact CE-CD1 3.34Å; T428-I432 WeakPolarHBondContact O-CG1 3.48Å; T428-I432 PolarHBondContact O-N 3.1Å; P429-I432 PolarHBondContact O-N 2.83Å; I432-V436 HydrophobicContact CG2-CB 3.62Å; I432-V436 HydrophobicContact CG2-CG1 3.85Å; I432-V436 HydrophobicContact CG2-CG2 4Å; I432-W448 PolarHBondContact O-NE1 2.85Å; I432-F473 HydrophobicContact CB-CE1 3.94Å; I432-F473 HydrophobicContact CB-CZ 4.32Å; I432-F473 HydrophobicContact CD1-CE1 4.37Å; I432-F473 HydrophobicContact CD1-CZ 3.91Å; I432-F473 HydrophobicContact CG2-CE1 3.66Å; I432-F473 HydrophobicContact CG2-CZ 4.26Å
433	A	95.8	Very high	90.1	Very high	2 Å²	2	31.1 Å²	31.1	2%	0.017	16%	0.164	C	C	.	.			trans	-70.3	148.9	176.8	0	0	0	0	0	112	Y431 E435 V436 V445 W448	Y431-A433 PolarHBondContact O-N 3.44Å; A433-E435 HydrophobicContact CB-CG 4.48Å; A433-E435 WeakPolarHBondContact CB-OE2 3.27Å; A433-E435 PolarHBondContact O-N 2.98Å; A433-E435 VanDerWaalsContact O-N 3.12Å; A433-V436 HydrophobicContact CB-CG2 4.2Å; A433-V436 WeakPolarHBondContact O-CB 3.45Å; A433-V436 PolarHBondContact O-N 2.94Å; A433-V436 VanDerWaalsContact O-N 3.12Å; A433-V445 HydrophobicContact CB-CB 3.97Å; A433-V445 HydrophobicContact CB-CG1 3.94Å; A433-W448 VanDerWaalsContact CA-CD1 3.45Å; A433-W448 HydrophobicContact CB-CB 3.73Å; A433-W448 HydrophobicContact CB-CD2 4.24Å; A433-W448 HydrophobicContact CB-CG 3.63Å
434	P	93.9	Very high	90.5	Very high	13 Å²	13	29 Å²	29	8%	0.084	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-53.2	-37.6	-176.8	-23.7	29.2	0	0	0	113.9	V436 W448 I476 L477 K501	P434-V436 VanDerWaalsContact C-N 3.34Å; P434-V436 PolarHBondContact O-N 2.9Å; P434-W448 HydrophobicContact CG-CE3 4.24Å; P434-W448 HydrophobicContact CG-CH2 3.7Å; P434-W448 HydrophobicContact CG-CZ2 4.05Å; P434-W448 HydrophobicContact CG-CZ3 3.8Å; P434-I476 HydrophobicContact CB-CG2 4.18Å; P434-I476 HydrophobicContact CG-CG2 3.7Å; P434-L477 HydrophobicContact CB-CD2 3.95Å; P434-K501 HydrophobicContact CG-CB 4.49Å; P434-K501 HydrophobicContact CG-CG 4.41Å
435	E	93.1	Very high	91	Very high	10 Å²	10	28 Å²	28	5%	0.047	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-70.4	-23.3	-176.2	63.5	-93.1	-148.7	0	0	114.5	A433 R437 E438 L439 V445 H503 R506	A433-E435 HydrophobicContact CB-CG 4.48Å; A433-E435 WeakPolarHBondContact CB-OE2 3.27Å; A433-E435 PolarHBondContact O-N 2.98Å; A433-E435 VanDerWaalsContact O-N 3.12Å; E435-R437 PolarHBondContact O-N 3.08Å; E435-R437 VanDerWaalsContact O-N 3.09Å; E435-E438 PolarHBondContact O-N 3.37Å; E435-E438 VanDerWaalsContact O-N 3.12Å; E435-L439 HydrophobicContact CB-CB 4.21Å; E435-L439 HydrophobicContact CB-CD1 3.94Å; E435-L439 HydrophobicContact CB-CG 4.39Å; E435-L439 PolarHBondContact O-N 3.19Å; E435-V445 HydrophobicContact CG-CG1 4.11Å; E435-H503 WeakPolarHBondContact OE1-CB 3.36Å; E435-R506 IonicContact OE1-CZ 3.6Å; E435-R506 IonicContact OE1-NH1 3.88Å; E435-R506 PolarHBondContact OE1-NH1 2.8Å; E435-R506 IonicContact OE1-NH2 3.43Å; E435-R506 PolarHBondContact OE1-NH2 2.68Å; E435-R506 IonicContact OE2-CZ 3.97Å; E435-R506 IonicContact OE2-NH1 3.57Å; E435-R506 IonicContact OE2-NH2 3.43Å; E435-R506 PolarHBondContact OE2-NH2 2.62Å
436	V	90.5	Very high	91.5	Very high	8 Å²	8	26.5 Å²	26.5	5%	0.048	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-60.7	-27.5	-171.8	171.7	0	0	0	0	112.8	F425 I432 A433 P434 Y441 V445	F425-V436 HydrophobicContact CD2-CG1 3.89Å; F425-V436 HydrophobicContact CE2-CG1 4.37Å; I432-V436 HydrophobicContact CG2-CB 3.62Å; I432-V436 HydrophobicContact CG2-CG1 3.85Å; I432-V436 HydrophobicContact CG2-CG2 4Å; A433-V436 HydrophobicContact CB-CG2 4.2Å; A433-V436 WeakPolarHBondContact O-CB 3.45Å; A433-V436 PolarHBondContact O-N 2.94Å; A433-V436 VanDerWaalsContact O-N 3.12Å; P434-V436 VanDerWaalsContact C-N 3.34Å; P434-V436 PolarHBondContact O-N 2.9Å; V436-Y441 HydrophobicContact CB-CD1 4.26Å; V436-Y441 HydrophobicContact CB-CE1 4.22Å; V436-Y441 HydrophobicContact CG1-CD1 4.34Å; V436-Y441 HydrophobicContact CG1-CE1 3.8Å; V436-Y441 HydrophobicContact CG2-CD1 4.05Å; V436-Y441 HydrophobicContact CG2-CD2 4.39Å; V436-Y441 HydrophobicContact CG2-CE1 4.14Å; V436-Y441 HydrophobicContact CG2-CE2 4.46Å; V436-Y441 HydrophobicContact CG2-CG 4.18Å; V436-V445 HydrophobicContact CG2-CB 4.2Å; V436-V445 HydrophobicContact CG2-CG1 3.62Å
437	R	80.8	Confident	92	Very high	101 Å²	101	26.4 Å²	26.4	38%	0.381	14%	0.136	S	C	.	.	G	3₁₀ helix	trans	-80.9	-32.6	-179.3	-175.8	170.8	168.7	176.4	-8.1	113.1	F425 E435	F425-R437 HydrophobicContact CE2-CB 4.15Å; F425-R437 HydrophobicContact CE2-CG 4.48Å; E435-R437 PolarHBondContact O-N 3.08Å; E435-R437 VanDerWaalsContact O-N 3.09Å
438	E	78.1	Confident	92.4	Very high	111 Å²	111	26.3 Å²	26.3	52%	0.519	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115	-24.6	-167.5	-62.3	-147.9	136.8	0	0	114.5	K93 E435	K93-E438 IonicContact NZ-OE1 3.03Å; K93-E438 PolarHBondContact NZ-OE1 3.29Å; K93-E438 IonicContact NZ-OE2 3.13Å; K93-E438 PolarHBondContact NZ-OE2 3.41Å; E435-E438 PolarHBondContact O-N 3.37Å; E435-E438 VanDerWaalsContact O-N 3.12Å
439	L	86.1	Confident	92.8	Very high	87 Å²	87	26.2 Å²	26.2	46%	0.455	14%	0.135	S	C	.	.	S	Bend	trans	-125.5	154.4	-170.7	-55.1	177.3	0	0	0	110.7	E435	E435-L439 HydrophobicContact CB-CB 4.21Å; E435-L439 HydrophobicContact CB-CD1 3.94Å; E435-L439 HydrophobicContact CB-CG 4.39Å; E435-L439 PolarHBondContact O-N 3.19Å
440	D	89.7	Confident	93.2	Very high	96 Å²	96	26.1 Å²	26.1	51%	0.513	13%	0.134	S	C	.	.			trans	-68.2	139.2	160.5	-63	-13.8	0	0	0	108.3	L421 T422 S423	L421-D440 HydrophobicContact CB-CB 3.75Å; L421-D440 HydrophobicContact CD1-CB 3.92Å; T422-D440 WeakPolarHBondContact O-CA 3.19Å; S423-D440 WeakPolarHBondContact CB-OD1 3.39Å
441	Y	93.3	Very high	93.6	Very high	7 Å²	7	25.7 Å²	25.7	3%	0.027	13%	0.132	C	C	.	.	B	Isolated β-bridge	trans	-134.4	163.4	-169.9	64.4	-94	0	0	0	112.3	L387 R389 L421 T422 T424 V436 V445	L387-Y441 HydrophobicContact CD1-CD2 4.27Å; L387-Y441 HydrophobicContact CD1-CE2 4.09Å; R389-Y441 WeakPolarHBondContact CD-OH 3.45Å; R389-Y441 HydrophobicContact CG-CE2 4.47Å; R389-Y441 PolarHBondContact NH1-OH 2.87Å; L421-Y441 WeakPolarHBondContact CA-O 3.47Å; T422-Y441 HydrophobicContact CG2-CD2 3.92Å; T422-Y441 HydrophobicContact CG2-CE1 4.22Å; T422-Y441 HydrophobicContact CG2-CE2 3.46Å; T422-Y441 VanDerWaalsContact CG2-CE2 3.46Å; T422-Y441 HydrophobicContact CG2-CG 4.48Å; T422-Y441 PolarHBondContact N-O 3.39Å; T422-Y441 VanDerWaalsContact O-CD1 3.29Å; T422-Y441 WeakPolarHBondContact O-CD1 3.39Å; T422-Y441 WeakPolarHBondContact O-CE1 3.48Å; T422-Y441 PolarHBondContact O-N 3.14Å; T424-Y441 WeakPolarHBondContact O-CE1 3.47Å; T424-Y441 PolarHBondContact O-OH 3.06Å; V436-Y441 HydrophobicContact CB-CD1 4.26Å; V436-Y441 HydrophobicContact CB-CE1 4.22Å; V436-Y441 HydrophobicContact CG1-CD1 4.34Å; V436-Y441 HydrophobicContact CG1-CE1 3.8Å; V436-Y441 HydrophobicContact CG2-CD1 4.05Å; V436-Y441 HydrophobicContact CG2-CD2 4.39Å; V436-Y441 HydrophobicContact CG2-CE1 4.14Å; V436-Y441 HydrophobicContact CG2-CE2 4.46Å; V436-Y441 HydrophobicContact CG2-CG 4.18Å; Y441-V445 HydrophobicContact CD2-CB 4.28Å; Y441-V445 HydrophobicContact CD2-CG1 3.45Å; Y441-V445 VanDerWaalsContact CD2-CG1 3.45Å; Y441-V445 HydrophobicContact CD2-CG2 3.84Å; Y441-V445 HydrophobicContact CE2-CG1 4.25Å; Y441-V445 HydrophobicContact CE2-CG2 4.02Å; Y441-V445 HydrophobicContact CG-CG1 3.78Å
442	G	94	Very high	93.7	Very high	8 Å²	8	25.1 Å²	25.1	8%	0.082	13%	0.129	C	C	.	.			trans	-133.4	-152.2	-178.8	0	0	0	0	0	111.9	C444 V445	G442-C444 PolarHBondContact O-N 3.01Å; G442-V445 WeakPolarHBondContact O-CG2 3.26Å; G442-V445 PolarHBondContact O-N 3.26Å
443	P	95.5	Very high	93.9	Very high	40 Å²	40	24.8 Å²	24.8	26%	0.26	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-20.9	-175.9	-28.5	36.5	0	0	0	116.4	L387 V445 D446	L387-P443 HydrophobicContact CD2-CB 4.01Å; L387-P443 HydrophobicContact CD2-CG 3.67Å; L387-P443 VanDerWaalsContact CD2-N 3.29Å; P443-V445 PolarHBondContact O-N 3.35Å; P443-V445 VanDerWaalsContact O-N 3.12Å; P443-D446 PolarHBondContact O-N 3.2Å
444	C	95.9	Very high	94	Very high	21 Å²	21	24.7 Å²	24.7	14%	0.142	13%	0.127	C	C	.	.	H	α-helix	trans	-58.1	-26.6	-179.1	-69.3	0	0	0	0	115.2	G442 D446 W447 W448 H503 R506 C509	G442-C444 PolarHBondContact O-N 3.01Å; C444-D446 VanDerWaalsContact C-N 3.3Å; C444-D446 PolarHBondContact O-N 3.23Å; C444-W447 PolarHBondContact O-N 3.22Å; C444-W448 PolarHBondContact O-N 3.35Å; C444-H503 HydrophobicContact CB-CB 4.06Å; C444-R506 PolarHBondContact O-NH1 2.82Å; C444-C509 WeakPolarHBondContact CA-SG 3.44Å; C444-C509 HydrophobicContact CB-CB 4.36Å; C444-C509 WeakPolarHBondContact CB-SG 3.2Å; C444-C509 WeakPolarHBondContact SG-CB 3.47Å; C444-C509 CovalentContact SG-SG 2.03Å; C444-C509 PolarHBondContact SG-SG 3.04Å
445	V	97.2	Very high	94.2	Very high	8 Å²	8	24.2 Å²	24.2	5%	0.048	12%	0.123	C	C	.	.	H	α-helix	trans	-68.9	-31.6	-178.5	-56	0	0	0	0	112	R389 A433 E435 V436 Y441 G442 P443 W447 W448 A449	R389-V445 HydrophobicContact CG-CG2 4.37Å; A433-V445 HydrophobicContact CB-CB 3.97Å; A433-V445 HydrophobicContact CB-CG1 3.94Å; E435-V445 HydrophobicContact CG-CG1 4.11Å; V436-V445 HydrophobicContact CG2-CB 4.2Å; V436-V445 HydrophobicContact CG2-CG1 3.62Å; Y441-V445 HydrophobicContact CD2-CB 4.28Å; Y441-V445 HydrophobicContact CD2-CG1 3.45Å; Y441-V445 VanDerWaalsContact CD2-CG1 3.45Å; Y441-V445 HydrophobicContact CD2-CG2 3.84Å; Y441-V445 HydrophobicContact CE2-CG1 4.25Å; Y441-V445 HydrophobicContact CE2-CG2 4.02Å; Y441-V445 HydrophobicContact CG-CG1 3.78Å; G442-V445 WeakPolarHBondContact O-CG2 3.26Å; G442-V445 PolarHBondContact O-N 3.26Å; P443-V445 PolarHBondContact O-N 3.35Å; P443-V445 VanDerWaalsContact O-N 3.12Å; V445-W447 VanDerWaalsContact C-N 3.35Å; V445-W448 WeakPolarHBondContact O-CB 3.38Å; V445-W448 PolarHBondContact O-N 3.33Å; V445-A449 PolarHBondContact O-N 3.19Å
446	D	98.2	Very high	94.4	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	12%	0.121	C	C	.	.	H	α-helix	trans	-71.9	-32.7	178.3	-69.9	-34.5	0	0	0	110.9	L378 H382 Y388 R389 P443 C444 A449 L450	L378-D446 HydrophobicContact CD1-CB 4.34Å; L378-D446 HydrophobicContact CD2-CB 4.08Å; H382-D446 IonicContact NE2-OD2 2.8Å; H382-D446 PolarHBondContact NE2-OD2 2.96Å; H382-D446 VanDerWaalsContact NE2-OD2 3.14Å; Y388-D446 PolarHBondContact N-OD2 3.02Å; R389-D446 WeakPolarHBondContact CA-OD1 3.34Å; R389-D446 PolarHBondContact N-OD1 3.14Å; P443-D446 PolarHBondContact O-N 3.2Å; C444-D446 VanDerWaalsContact C-N 3.3Å; C444-D446 PolarHBondContact O-N 3.23Å; D446-A449 PolarHBondContact O-N 3.37Å; D446-L450 PolarHBondContact O-N 3Å
447	W	98.4	Very high	94.7	Very high	1 Å²	1	23.4 Å²	23.4	0%	0.004	12%	0.119	C	C	.	.	H	α-helix	trans	-68	-37.1	173	-64.4	128.7	0	0	0	113.1	T375 L378 Q379 H382 C444 V445 L450 G451 F498 E516 V519	T375-W447 HydrophobicContact CG2-CH2 3.98Å; T375-W447 HydrophobicContact CG2-CZ3 4.01Å; L378-W447 HydrophobicContact CB-CH2 4.41Å; L378-W447 HydrophobicContact CD1-CZ3 4.3Å; Q379-W447 HydrophobicContact CG-CH2 3.77Å; Q379-W447 HydrophobicContact CG-CZ2 3.98Å; H382-W447 AromaticContact CE1-CE2 3.98Å; H382-W447 AromaticContact CE1-NE1 3.92Å; C444-W447 PolarHBondContact O-N 3.22Å; V445-W447 VanDerWaalsContact C-N 3.35Å; W447-L450 HydrophobicContact CE3-CD2 3.85Å; W447-L450 HydrophobicContact CZ3-CD2 3.76Å; W447-L450 PolarHBondContact O-N 3.43Å; W447-G451 PolarHBondContact O-N 2.7Å; W447-G451 VanDerWaalsContact O-N 3.12Å; W447-F498 HydrophobicContact CB-CD1 3.94Å; W447-F498 HydrophobicContact CB-CE1 4.14Å; W447-F498 HydrophobicContact CD2-CE1 4.17Å; W447-F498 HydrophobicContact CE3-CD1 4.47Å; W447-F498 AromaticContact CE3-CE1 3.6Å; W447-F498 HydrophobicContact CE3-CE1 3.6Å; W447-F498 HydrophobicContact CE3-CZ 4.11Å; W447-F498 HydrophobicContact CG-CE1 4.42Å; W447-F498 HydrophobicContact CZ3-CE1 4.37Å; W447-F498 WeakPolarHBondContact O-CB 3.47Å; W447-F498 WeakPolarHBondContact O-CD1 3.23Å; W447-F498 WeakPolarHBondContact O-CG 3.33Å; W447-E516 HydrophobicContact CZ2-CB 4.17Å; W447-E516 HydrophobicContact CZ2-CG 3.92Å; W447-V519 HydrophobicContact CD2-CG2 4.3Å; W447-V519 HydrophobicContact CE3-CG2 4.14Å; W447-V519 HydrophobicContact CH2-CB 4.48Å; W447-V519 HydrophobicContact CH2-CG1 4.43Å; W447-V519 HydrophobicContact CH2-CG2 4.1Å; W447-V519 HydrophobicContact CZ2-CG2 4.24Å; W447-V519 HydrophobicContact CZ3-CB 4.47Å; W447-V519 HydrophobicContact CZ3-CG1 4.03Å; W447-V519 HydrophobicContact CZ3-CG2 4.04Å
448	W	98.5	Very high	95.5	Very high	1 Å²	1	19 Å²	19	0%	0.004	10%	0.103	C	C	.	.	H	α-helix	trans	-61.8	-49.6	170.7	170.5	-83	0	0	0	111	I432 A433 P434 C444 V445 L450 G451 V452 F464 I476 M499 K501	I432-W448 PolarHBondContact O-NE1 2.85Å; A433-W448 VanDerWaalsContact CA-CD1 3.45Å; A433-W448 HydrophobicContact CB-CB 3.73Å; A433-W448 HydrophobicContact CB-CD2 4.24Å; A433-W448 HydrophobicContact CB-CG 3.63Å; P434-W448 HydrophobicContact CG-CE3 4.24Å; P434-W448 HydrophobicContact CG-CH2 3.7Å; P434-W448 HydrophobicContact CG-CZ2 4.05Å; P434-W448 HydrophobicContact CG-CZ3 3.8Å; C444-W448 PolarHBondContact O-N 3.35Å; V445-W448 WeakPolarHBondContact O-CB 3.38Å; V445-W448 PolarHBondContact O-N 3.33Å; W448-L450 PolarHBondContact O-N 3.49Å; W448-G451 WeakPolarHBondContact O-CA 3.23Å; W448-G451 PolarHBondContact O-N 3.18Å; W448-V452 PolarHBondContact O-N 2.73Å; W448-F464 HydrophobicContact CH2-CE2 4Å; W448-F464 HydrophobicContact CH2-CZ 4.28Å; W448-F464 AromaticContact CZ2-CE2 3.75Å; W448-F464 HydrophobicContact CZ2-CE2 3.75Å; W448-F464 HydrophobicContact CZ2-CZ 4.45Å; W448-I476 HydrophobicContact CH2-CG2 4.36Å; W448-I476 HydrophobicContact CZ2-CG2 3.84Å; W448-M499 HydrophobicContact CE3-CB 4.31Å; W448-M499 HydrophobicContact CH2-CB 4.37Å; W448-M499 HydrophobicContact CZ3-CB 4.01Å; W448-M499 WeakPolarHBondContact CZ3-O 3.31Å; W448-K501 HydrophobicContact CZ3-CG 4.36Å
449	A	98.5	Very high	96.3	Very high	4 Å²	4	13.8 Å²	13.8	3%	0.033	8%	0.079	C	C	.	.	H	α-helix	trans	-60.2	-35.9	-180	0	0	0	0	0	111.8	L391 V445 D446 V452 L453	L391-A449 HydrophobicContact CB-CB 3.92Å; L391-A449 HydrophobicContact CD2-CB 4.3Å; V445-A449 PolarHBondContact O-N 3.19Å; D446-A449 PolarHBondContact O-N 3.37Å; A449-V452 PolarHBondContact O-N 3.47Å; A449-L453 WeakPolarHBondContact O-CB 3.34Å; A449-L453 PolarHBondContact O-N 3.05Å
450	L	98.7	Very high	96.6	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-63.9	-40	172.6	-178.9	60.8	0	0	0	111.9	V374 T375 L378 L391 D446 W447 W448 L453 M454 F498	V374-L450 HydrophobicContact CB-CD1 4.31Å; V374-L450 HydrophobicContact CG1-CD1 3.86Å; T375-L450 WeakPolarHBondContact OG1-CD2 3.38Å; L378-L450 HydrophobicContact CD1-CB 4.48Å; L378-L450 HydrophobicContact CD1-CD2 4.47Å; L391-L450 HydrophobicContact CD2-CB 3.9Å; L391-L450 HydrophobicContact CD2-CD1 4.19Å; D446-L450 PolarHBondContact O-N 3Å; W447-L450 HydrophobicContact CE3-CD2 3.85Å; W447-L450 HydrophobicContact CZ3-CD2 3.76Å; W447-L450 PolarHBondContact O-N 3.43Å; W448-L450 PolarHBondContact O-N 3.49Å; L450-L453 HydrophobicContact CD1-CD2 4.06Å; L450-L453 WeakPolarHBondContact O-CB 3.42Å; L450-L453 PolarHBondContact O-N 3.36Å; L450-M454 HydrophobicContact CD1-CG 4.25Å; L450-M454 HydrophobicContact CD1-SD 4.43Å; L450-M454 HydrophobicContact CG-CG 4.42Å; L450-M454 HydrophobicContact CG-SD 4.12Å; L450-M454 WeakPolarHBondContact O-CB 3.37Å; L450-M454 WeakPolarHBondContact O-CG 3.28Å; L450-M454 PolarHBondContact O-N 2.74Å; L450-F498 HydrophobicContact CD2-CE1 4.34Å; L450-F498 HydrophobicContact CD2-CE2 4Å; L450-F498 HydrophobicContact CD2-CZ 3.69Å; L450-F498 HydrophobicContact CG-CE2 4.21Å; L450-F498 HydrophobicContact CG-CZ 4.33Å
451	G	98.7	Very high	96.7	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-59.2	-44.7	172.7	0	0	0	0	0	113.1	W447 W448 M454 Y455 L495	W447-G451 PolarHBondContact O-N 2.7Å; W447-G451 VanDerWaalsContact O-N 3.12Å; W448-G451 WeakPolarHBondContact O-CA 3.23Å; W448-G451 PolarHBondContact O-N 3.18Å; G451-M454 PolarHBondContact O-N 3.32Å; G451-Y455 WeakPolarHBondContact O-CB 3.38Å; G451-Y455 PolarHBondContact O-N 3.14Å; G451-L495 WeakPolarHBondContact O-CD2 3.48Å
452	V	98.3	Very high	96.7	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-62.6	-46.7	174.8	176.6	0	0	0	0	110.9	D430 Y431 W448 A449 M454 Y455 E456 P463 M499	D430-V452 WeakPolarHBondContact O-CG1 3.41Å; Y431-V452 HydrophobicContact CD1-CB 3.84Å; Y431-V452 HydrophobicContact CD1-CG1 3.51Å; Y431-V452 HydrophobicContact CE1-CB 4.36Å; Y431-V452 HydrophobicContact CE1-CG1 3.76Å; Y431-V452 HydrophobicContact CG-CG1 4.14Å; W448-V452 PolarHBondContact O-N 2.73Å; A449-V452 PolarHBondContact O-N 3.47Å; V452-M454 PolarHBondContact O-N 3Å; V452-Y455 WeakPolarHBondContact O-CB 3.43Å; V452-Y455 PolarHBondContact O-N 2.94Å; V452-E456 PolarHBondContact O-N 2.64Å; V452-P463 HydrophobicContact CB-CG 4.47Å; V452-P463 HydrophobicContact CG1-CG 4.1Å; V452-P463 HydrophobicContact CG2-CG 4.14Å; V452-M499 HydrophobicContact CG2-SD 4.31Å
453	L	98.2	Very high	96.8	Very high	1 Å²	1	6.8 Å²	6.8	1%	0.005	4%	0.043	C	C	.	.	H	α-helix	trans	-57.7	-47.1	177.4	-172.5	90.5	0	0	0	111.8	L391 L393 I396 Y431 A449 L450 E456 M457	L391-L453 HydrophobicContact CD2-CD2 4.34Å; L391-L453 HydrophobicContact CG-CD2 4.5Å; L393-L453 HydrophobicContact CD2-CD1 3.79Å; L393-L453 HydrophobicContact CD2-CG 4.4Å; L393-L453 HydrophobicContact CG-CD1 3.85Å; I396-L453 HydrophobicContact CD1-CD1 3.58Å; I396-L453 HydrophobicContact CD1-CD2 3.49Å; I396-L453 VanDerWaalsContact CD1-CD2 3.49Å; I396-L453 HydrophobicContact CD1-CG 4.15Å; Y431-L453 HydrophobicContact CE1-CB 4.32Å; Y431-L453 HydrophobicContact CE1-CD1 4.19Å; A449-L453 WeakPolarHBondContact O-CB 3.34Å; A449-L453 PolarHBondContact O-N 3.05Å; L450-L453 HydrophobicContact CD1-CD2 4.06Å; L450-L453 WeakPolarHBondContact O-CB 3.42Å; L450-L453 PolarHBondContact O-N 3.36Å; L453-E456 PolarHBondContact O-N 2.72Å; L453-M457 HydrophobicContact CD2-CE 3.98Å; L453-M457 HydrophobicContact CG-CE 4.14Å; L453-M457 WeakPolarHBondContact O-CG 3.36Å; L453-M457 PolarHBondContact O-N 3.16Å
454	M	98.6	Very high	96.7	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-61.9	-43	177.3	-76.6	-180	70.6	0	0	112.1	S371 L450 G451 V452 M457 M458 I494 L495 F498 F524	S371-M454 WeakPolarHBondContact OG-CG 3.4Å; L450-M454 HydrophobicContact CD1-CG 4.25Å; L450-M454 HydrophobicContact CD1-SD 4.43Å; L450-M454 HydrophobicContact CG-CG 4.42Å; L450-M454 HydrophobicContact CG-SD 4.12Å; L450-M454 WeakPolarHBondContact O-CB 3.37Å; L450-M454 WeakPolarHBondContact O-CG 3.28Å; L450-M454 PolarHBondContact O-N 2.74Å; G451-M454 PolarHBondContact O-N 3.32Å; V452-M454 PolarHBondContact O-N 3Å; M454-M457 HydrophobicContact CG-CE 4.36Å; M454-M457 PolarHBondContact O-N 3.41Å; M454-M458 HydrophobicContact CB-CE 4.02Å; M454-M458 HydrophobicContact CE-CE 4.22Å; M454-M458 VanDerWaalsContact O-CE 3.3Å; M454-M458 WeakPolarHBondContact O-CE 3.31Å; M454-M458 PolarHBondContact O-N 2.89Å; M454-I494 HydrophobicContact CE-CD1 4.07Å; M454-I494 HydrophobicContact CE-CG1 4.26Å; M454-I494 HydrophobicContact CE-CG2 3.59Å; M454-L495 HydrophobicContact CB-CD2 3.61Å; M454-F498 HydrophobicContact SD-CD2 3.91Å; M454-F498 HydrophobicContact SD-CE2 3.59Å; M454-F498 VanDerWaalsContact SD-CE2 3.59Å; M454-F524 HydrophobicContact CE-CD1 3.81Å; M454-F524 HydrophobicContact CE-CE1 3.36Å; M454-F524 HydrophobicContact CE-CZ 3.83Å
455	Y	98.4	Very high	96.2	Very high	4 Å²	4	8.4 Å²	8.4	2%	0.016	5%	0.045	C	C	.	.	H	α-helix	trans	-60.3	-51.7	176.3	-173.5	-82.3	0	0	0	110.3	F12 G451 V452 M457 M458 V459 Q461 P463 V481 L482 Y483 L495 M499	F12-Y455 WeakPolarHBondContact CE2-OH 3.34Å; G451-Y455 WeakPolarHBondContact O-CB 3.38Å; G451-Y455 PolarHBondContact O-N 3.14Å; V452-Y455 WeakPolarHBondContact O-CB 3.43Å; V452-Y455 PolarHBondContact O-N 2.94Å; Y455-M457 VanDerWaalsContact C-N 3.28Å; Y455-M457 PolarHBondContact O-N 3.34Å; Y455-M458 PolarHBondContact O-N 3.35Å; Y455-V459 HydrophobicContact CD1-CB 3.97Å; Y455-V459 HydrophobicContact CD1-CG1 4.46Å; Y455-V459 HydrophobicContact CD1-CG2 4Å; Y455-V459 HydrophobicContact CD2-CG2 3.97Å; Y455-V459 HydrophobicContact CE1-CB 3.72Å; Y455-V459 HydrophobicContact CE1-CG1 3.72Å; Y455-V459 HydrophobicContact CE1-CG2 3.84Å; Y455-V459 HydrophobicContact CE2-CG2 3.82Å; Y455-V459 HydrophobicContact CG-CG2 4.07Å; Y455-V459 WeakPolarHBondContact O-CB 3.42Å; Y455-V459 WeakPolarHBondContact O-CG2 3.44Å; Y455-V459 PolarHBondContact O-N 3.44Å; Y455-Q461 WeakPolarHBondContact CD1-O 3.42Å; Y455-Q461 VanDerWaalsContact CE1-O 3.27Å; Y455-Q461 WeakPolarHBondContact CE1-O 3.19Å; Y455-P463 HydrophobicContact CD1-CB 3.85Å; Y455-P463 HydrophobicContact CD1-CG 4.24Å; Y455-P463 HydrophobicContact CD2-CB 4.28Å; Y455-P463 HydrophobicContact CE1-CB 3.95Å; Y455-P463 HydrophobicContact CE2-CB 4.36Å; Y455-P463 HydrophobicContact CG-CB 4.03Å; Y455-P463 HydrophobicContact CG-CG 4.41Å; Y455-V481 HydrophobicContact CD2-CG1 4.05Å; Y455-V481 HydrophobicContact CE2-CG1 3.64Å; Y455-L482 WeakPolarHBondContact CE2-O 3.38Å; Y455-L482 PolarHBondContact OH-O 3.03Å; Y455-Y483 HydrophobicContact CD2-CD1 4.49Å; Y455-Y483 HydrophobicContact CD2-CE1 4.43Å; Y455-Y483 HydrophobicContact CE2-CD1 4.21Å; Y455-Y483 HydrophobicContact CE2-CE1 4.42Å; Y455-L495 HydrophobicContact CD2-CD1 4.13Å; Y455-M499 HydrophobicContact CD2-CE 3.9Å; Y455-M499 HydrophobicContact CG-CE 4.35Å
456	E	96.2	Very high	95.7	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-57	-41.8	177.9	-78.7	-166.9	165.2	0	0	112.2	F19 R22 I356 L393 Y431 V452 L453 G460 P462	F19-E456 HydrophobicContact CZ-CB 4.3Å; R22-E456 IonicContact CZ-OE1 2.73Å; R22-E456 IonicContact NH1-OE1 3.65Å; R22-E456 PolarHBondContact NH1-OE1 3.1Å; R22-E456 IonicContact NH1-OE2 3.32Å; R22-E456 IonicContact NH2-OE1 3.49Å; R22-E456 PolarHBondContact NH2-OE1 2.91Å; I356-E456 WeakPolarHBondContact CD1-O 3.47Å; L393-E456 HydrophobicContact CD1-CB 4.39Å; L393-E456 VanDerWaalsContact CD1-OE2 3.29Å; L393-E456 WeakPolarHBondContact CD1-OE2 3.29Å; Y431-E456 PolarHBondContact OH-OE2 2.91Å; V452-E456 PolarHBondContact O-N 2.64Å; L453-E456 PolarHBondContact O-N 2.72Å; E456-G460 VanDerWaalsContact O-CA 3.26Å; E456-G460 WeakPolarHBondContact O-CA 3.42Å; E456-G460 PolarHBondContact O-N 2.87Å; E456-P462 HydrophobicContact CG-CB 4.26Å; E456-P462 WeakPolarHBondContact OE1-CB 3.42Å
457	M	97.7	Very high	94.9	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-61.8	-48.5	176.8	-74.7	-170	-67.3	0	0	112.7	L352 I356 F362 A367 Y370 S371 L393 L453 M454 Y455	L352-M457 HydrophobicContact CD1-SD 4.4Å; I356-M457 HydrophobicContact CD1-CG 4.42Å; F362-M457 HydrophobicContact CB-CB 4.48Å; F362-M457 HydrophobicContact CD2-CB 4Å; F362-M457 HydrophobicContact CD2-CG 3.71Å; F362-M457 HydrophobicContact CD2-SD 3.77Å; F362-M457 HydrophobicContact CE2-CG 4.07Å; F362-M457 HydrophobicContact CE2-SD 4.06Å; F362-M457 PolarHBondContact N-O 3.46Å; A367-M457 HydrophobicContact CB-CB 3.99Å; A367-M457 HydrophobicContact CB-CE 4.43Å; Y370-M457 HydrophobicContact CD2-SD 4.24Å; S371-M457 VanDerWaalsContact OG-CE 3.23Å; S371-M457 WeakPolarHBondContact OG-CE 3.35Å; L393-M457 HydrophobicContact CD2-CG 3.97Å; L453-M457 HydrophobicContact CD2-CE 3.98Å; L453-M457 HydrophobicContact CG-CE 4.14Å; L453-M457 WeakPolarHBondContact O-CG 3.36Å; L453-M457 PolarHBondContact O-N 3.16Å; M454-M457 HydrophobicContact CG-CE 4.36Å; M454-M457 PolarHBondContact O-N 3.41Å; Y455-M457 VanDerWaalsContact C-N 3.28Å; Y455-M457 PolarHBondContact O-N 3.34Å
458	M	97.6	Very high	94.3	Very high	8 Å²	8	20.6 Å²	20.6	4%	0.039	11%	0.114	C	C	.	.	H	α-helix	trans	-85.7	-27.6	-173.2	-66.8	-178.2	-77.5	0	0	114	E364 A367 M454 Y455 L487 A491 L495 F524	E364-M458 HydrophobicContact CG-SD 4.06Å; A367-M458 HydrophobicContact CB-CG 3.49Å; A367-M458 VanDerWaalsContact CB-CG 3.49Å; A367-M458 HydrophobicContact CB-SD 4.25Å; M454-M458 HydrophobicContact CB-CE 4.02Å; M454-M458 HydrophobicContact CE-CE 4.22Å; M454-M458 VanDerWaalsContact O-CE 3.3Å; M454-M458 WeakPolarHBondContact O-CE 3.31Å; M454-M458 PolarHBondContact O-N 2.89Å; Y455-M458 PolarHBondContact O-N 3.35Å; M458-L487 HydrophobicContact CB-CD2 3.76Å; M458-A491 HydrophobicContact CE-CB 4.32Å; M458-A491 HydrophobicContact SD-CB 3.94Å; M458-L495 HydrophobicContact CE-CD1 3.89Å; M458-L495 HydrophobicContact CE-CD2 4Å; M458-L495 HydrophobicContact CE-CG 4.07Å; M458-F524 HydrophobicContact CE-CZ 4.34Å; M458-F524 HydrophobicContact SD-CE2 4.04Å; M458-F524 HydrophobicContact SD-CZ 4Å
459	V	95.7	Very high	93.6	Very high	3 Å²	3	25.6 Å²	25.6	2%	0.018	14%	0.137	C	C	.	.	H	α-helix	trans	-96.8	-32.1	-176.4	-178.9	0	0	0	0	111.4	F12 Y455 Q461 P484 L487	F12-V459 HydrophobicContact CE2-CG1 3.5Å; F12-V459 VanDerWaalsContact CE2-CG1 3.5Å; F12-V459 HydrophobicContact CZ-CG1 3.38Å; Y455-V459 HydrophobicContact CD1-CB 3.97Å; Y455-V459 HydrophobicContact CD1-CG1 4.46Å; Y455-V459 HydrophobicContact CD1-CG2 4Å; Y455-V459 HydrophobicContact CD2-CG2 3.97Å; Y455-V459 HydrophobicContact CE1-CB 3.72Å; Y455-V459 HydrophobicContact CE1-CG1 3.72Å; Y455-V459 HydrophobicContact CE1-CG2 3.84Å; Y455-V459 HydrophobicContact CE2-CG2 3.82Å; Y455-V459 HydrophobicContact CG-CG2 4.07Å; Y455-V459 WeakPolarHBondContact O-CB 3.42Å; Y455-V459 WeakPolarHBondContact O-CG2 3.44Å; Y455-V459 PolarHBondContact O-N 3.44Å; V459-Q461 HydrophobicContact CG1-CG 4.12Å; V459-P484 HydrophobicContact CG1-CG 3.89Å; V459-P484 HydrophobicContact CG2-CG 4.25Å; V459-L487 HydrophobicContact CG2-CD1 3.94Å; V459-L487 HydrophobicContact CG2-CD2 4.23Å; V459-L487 HydrophobicContact CG2-CG 4.46Å
460	G	92.1	Very high	92.9	Very high	8 Å²	8	31.5 Å²	31.5	8%	0.082	16%	0.164	C	C	.	.	S	Bend	trans	89.6	8.6	-179.6	0	0	0	0	0	114.6	A18 F19 R360 E456	A18-G460 WeakPolarHBondContact CB-O 3.21Å; F19-G460 WeakPolarHBondContact CD2-O 3.35Å; F19-G460 WeakPolarHBondContact CE2-O 3.48Å; R360-G460 WeakPolarHBondContact O-CA 3.39Å; E456-G460 VanDerWaalsContact O-CA 3.26Å; E456-G460 WeakPolarHBondContact O-CA 3.42Å; E456-G460 PolarHBondContact O-N 2.87Å
461	Q	91.9	Very high	92.4	Very high	16 Å²	16	35.4 Å²	35.4	8%	0.075	19%	0.185	C	C	.	.	S	Bend	trans	-156.2	159.1	176.8	73.6	-167.5	10.3	0	0	110.1	F12 Q13 A18 Y455 V459	F12-Q461 HydrophobicContact CE2-CG 4.45Å; F12-Q461 HydrophobicContact CZ-CG 4.45Å; Q13-Q461 PolarHBondContact O-NE2 2.92Å; Q13-Q461 PolarHBondContact O-OE1 3.3Å; A18-Q461 HydrophobicContact CB-CB 3.6Å; Y455-Q461 WeakPolarHBondContact CD1-O 3.42Å; Y455-Q461 VanDerWaalsContact CE1-O 3.27Å; Y455-Q461 WeakPolarHBondContact CE1-O 3.19Å; V459-Q461 HydrophobicContact CG1-CG 4.12Å
462	P	93.2	Very high	92	Very high	10 Å²	10	35.4 Å²	35.4	7%	0.065	19%	0.185	C	C	.	.			trans	-65	155.8	177.4	26.2	-34.7	0	0	0	112.7	E456 F464 E465	E456-P462 HydrophobicContact CG-CB 4.26Å; E456-P462 WeakPolarHBondContact OE1-CB 3.42Å; P462-F464 VanDerWaalsContact C-N 3.3Å; P462-F464 PolarHBondContact O-N 3.12Å; P462-E465 HydrophobicContact CG-CG 3.65Å
463	P	95	Very high	91.6	Very high	17 Å²	17	36 Å²	36	11%	0.11	19%	0.188	C	C	.	.	S	Bend	trans	-72.2	-22.7	177.2	27.7	-32.8	0	0	0	113.5	V452 Y455 V481 M499	V452-P463 HydrophobicContact CB-CG 4.47Å; V452-P463 HydrophobicContact CG1-CG 4.1Å; V452-P463 HydrophobicContact CG2-CG 4.14Å; Y455-P463 HydrophobicContact CD1-CB 3.85Å; Y455-P463 HydrophobicContact CD1-CG 4.24Å; Y455-P463 HydrophobicContact CD2-CB 4.28Å; Y455-P463 HydrophobicContact CE1-CB 3.95Å; Y455-P463 HydrophobicContact CE2-CB 4.36Å; Y455-P463 HydrophobicContact CG-CB 4.03Å; Y455-P463 HydrophobicContact CG-CG 4.41Å; P463-V481 HydrophobicContact CB-CG1 3.82Å; P463-V481 HydrophobicContact CB-CG2 4.28Å; P463-M499 HydrophobicContact CB-SD 4.07Å; P463-M499 HydrophobicContact CG-SD 3.93Å
464	F	93.8	Very high	91.1	Very high	10 Å²	10	39.9 Å²	39.9	4%	0.044	21%	0.206	C	C	.	.			trans	-132	139.3	178.6	-54.2	-79.3	0	0	0	109.9	W448 P462 L472 A475 I476 D479 V481	W448-F464 HydrophobicContact CH2-CE2 4Å; W448-F464 HydrophobicContact CH2-CZ 4.28Å; W448-F464 AromaticContact CZ2-CE2 3.75Å; W448-F464 HydrophobicContact CZ2-CE2 3.75Å; W448-F464 HydrophobicContact CZ2-CZ 4.45Å; P462-F464 VanDerWaalsContact C-N 3.3Å; P462-F464 PolarHBondContact O-N 3.12Å; F464-L472 HydrophobicContact CB-CD1 3.85Å; F464-A475 HydrophobicContact CD1-CB 4.37Å; F464-I476 HydrophobicContact CB-CG1 4.1Å; F464-I476 HydrophobicContact CD2-CG1 3.7Å; F464-I476 HydrophobicContact CE2-CG1 4.27Å; F464-I476 HydrophobicContact CG-CG1 3.89Å; F464-D479 HydrophobicContact CD1-CB 4.33Å; F464-D479 HydrophobicContact CE1-CB 4.14Å; F464-V481 HydrophobicContact CE1-CG2 4.09Å; F464-V481 HydrophobicContact CE2-CG2 3.87Å; F464-V481 HydrophobicContact CZ-CG2 3.37Å
465	E	86.1	Confident	90.8	Very high	85 Å²	85	40.1 Å²	40.1	40%	0.397	21%	0.208	S	C	.	.			trans	-140.3	143	176.8	-68.1	-175.8	-173.7	0	0	109.6	K15 P462	K15-E465 IonicContact NZ-OE2 2.66Å; K15-E465 PolarHBondContact NZ-OE2 3.37Å; P462-E465 HydrophobicContact CG-CG 3.65Å
466	A	87	Confident	90.6	Very high	28 Å²	28	40 Å²	40	23%	0.231	21%	0.207	C	C	.	.			trans	-156.5	164.9	170.7	0	0	0	0	0	110.4	N468 D471 L472	A466-N468 VanDerWaalsContact C-N 3.34Å; A466-D471 HydrophobicContact CB-CB 3.66Å; A466-L472 HydrophobicContact CB-CB 3.94Å; A466-L472 VanDerWaalsContact CB-N 3.29Å
467	D	81.1	Confident	90.3	Very high	166 Å²	166	42 Å²	42	89%	0.888	22%	0.218	S	C	*	.	S	Bend	trans	-72.6	-27.3	-176.6	-66.8	-27.2	0	0	0	113.1
468	N	85.6	Confident	90	Very high	71 Å²	71	48.2 Å²	48.2	38%	0.38	25%	0.247	S	C	.	.	S	Bend	trans	-137.7	165.4	176.7	68.1	75	0	0	0	111.5	A466 E470 D471 L472	A466-N468 VanDerWaalsContact C-N 3.34Å; N468-E470 VanDerWaalsContact C-N 3.33Å; N468-E470 PolarHBondContact O-N 3.47Å; N468-E470 WeakPolarHBondContact OD1-CA 3.38Å; N468-E470 WeakPolarHBondContact OD1-CB 3.34Å; N468-E470 PolarHBondContact OD1-N 3.36Å; N468-D471 PolarHBondContact ND2-OD2 3.02Å; N468-D471 PolarHBondContact O-N 2.88Å; N468-D471 PolarHBondContact OD1-N 3.33Å; N468-L472 WeakPolarHBondContact O-CB 3.39Å; N468-L472 PolarHBondContact O-N 2.96Å
469	E	83.5	Confident	89.7	Confident	107 Å²	107	49.3 Å²	49.3	50%	0.5	25%	0.253	S	S	.	.	H	α-helix	trans	-63.4	-36.1	-176.7	-65.8	177.6	-178.4	0	0	112.7	P429 L472 F473	P429-E469 HydrophobicContact CG-CG 4.27Å; E469-L472 PolarHBondContact O-N 2.89Å; E469-F473 WeakPolarHBondContact O-CD2 3.45Å; E469-F473 PolarHBondContact O-N 3.48Å
470	E	84	Confident	89.6	Confident	127 Å²	127	57.1 Å²	57.1	59%	0.593	29%	0.289	S	S	*	.	H	α-helix	trans	-65.1	-48.3	-179.1	-63.8	-172.2	166	0	0	110.5	N468 L472 F473 E474	N468-E470 VanDerWaalsContact C-N 3.33Å; N468-E470 PolarHBondContact O-N 3.47Å; N468-E470 WeakPolarHBondContact OD1-CA 3.38Å; N468-E470 WeakPolarHBondContact OD1-CB 3.34Å; N468-E470 PolarHBondContact OD1-N 3.36Å; E470-L472 VanDerWaalsContact C-N 3.3Å; E470-L472 PolarHBondContact O-N 2.77Å; E470-F473 PolarHBondContact O-N 3.23Å; E470-E474 WeakPolarHBondContact O-CG 3.29Å; E470-E474 PolarHBondContact O-N 3.19Å
471	D	88.4	Confident	89.7	Confident	82 Å²	82	57.6 Å²	57.6	44%	0.439	29%	0.29	S	S	.	.	H	α-helix	trans	-65.1	-34	176.3	-66.7	-19.2	0	0	0	112	A466 N468 E474 A475	A466-D471 HydrophobicContact CB-CB 3.66Å; N468-D471 PolarHBondContact ND2-OD2 3.02Å; N468-D471 PolarHBondContact O-N 2.88Å; N468-D471 PolarHBondContact OD1-N 3.33Å; D471-E474 PolarHBondContact O-N 2.87Å; D471-A475 WeakPolarHBondContact O-CB 3.45Å; D471-A475 PolarHBondContact O-N 2.89Å
472	L	90.3	Very high	89.8	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-64.3	-42.2	175	179.6	62.2	0	0	0	111.1	P429 F464 A466 N468 E469 E470 A475 I476	P429-L472 HydrophobicContact CB-CD2 3.88Å; F464-L472 HydrophobicContact CB-CD1 3.85Å; A466-L472 HydrophobicContact CB-CB 3.94Å; A466-L472 VanDerWaalsContact CB-N 3.29Å; N468-L472 WeakPolarHBondContact O-CB 3.39Å; N468-L472 PolarHBondContact O-N 2.96Å; E469-L472 PolarHBondContact O-N 2.89Å; E470-L472 VanDerWaalsContact C-N 3.3Å; E470-L472 PolarHBondContact O-N 2.77Å; L472-A475 WeakPolarHBondContact O-CB 3.45Å; L472-A475 PolarHBondContact O-N 3.46Å; L472-I476 HydrophobicContact CD1-CD1 4.47Å; L472-I476 HydrophobicContact CG-CD1 4.12Å; L472-I476 VanDerWaalsContact O-CG1 3.31Å; L472-I476 WeakPolarHBondContact O-CG1 3.38Å; L472-I476 PolarHBondContact O-N 3.26Å
473	F	88.2	Confident	90	Very high	12 Å²	12	61.6 Å²	61.6	5%	0.053	31%	0.308	C	S	.	.	H	α-helix	trans	-66.1	-41.1	175.5	-81.6	-64.4	0	0	0	112.2	M28 F425 I432 E469 E470 A475 I476 L477	M28-F473 HydrophobicContact CE-CE2 3.86Å; M28-F473 HydrophobicContact CE-CZ 3.63Å; F425-F473 HydrophobicContact CE2-CE1 4.35Å; F425-F473 HydrophobicContact CE2-CZ 4.04Å; F425-F473 HydrophobicContact CZ-CE1 4.31Å; F425-F473 AromaticContact CZ-CE2 3.85Å; F425-F473 HydrophobicContact CZ-CE2 3.85Å; F425-F473 AromaticContact CZ-CZ 3.56Å; F425-F473 HydrophobicContact CZ-CZ 3.56Å; I432-F473 HydrophobicContact CB-CE1 3.94Å; I432-F473 HydrophobicContact CB-CZ 4.32Å; I432-F473 HydrophobicContact CD1-CE1 4.37Å; I432-F473 HydrophobicContact CD1-CZ 3.91Å; I432-F473 HydrophobicContact CG2-CE1 3.66Å; I432-F473 HydrophobicContact CG2-CZ 4.26Å; E469-F473 WeakPolarHBondContact O-CD2 3.45Å; E469-F473 PolarHBondContact O-N 3.48Å; E470-F473 PolarHBondContact O-N 3.23Å; F473-A475 VanDerWaalsContact C-N 3.26Å; F473-A475 PolarHBondContact O-N 3.22Å; F473-I476 HydrophobicContact CD1-CD1 4.42Å; F473-I476 PolarHBondContact O-N 3.26Å; F473-L477 WeakPolarHBondContact O-CB 3.38Å; F473-L477 VanDerWaalsContact O-CG 3.29Å; F473-L477 WeakPolarHBondContact O-CG 3.49Å; F473-L477 PolarHBondContact O-N 3.22Å
474	E	89.1	Confident	89.9	Confident	82 Å²	82	61.1 Å²	61.1	38%	0.383	31%	0.305	S	S	.	.	H	α-helix	trans	-60.1	-39.9	173.6	-67.9	-58	136	0	0	110.9	E470 D471 L477 H478	E470-E474 WeakPolarHBondContact O-CG 3.29Å; E470-E474 PolarHBondContact O-N 3.19Å; D471-E474 PolarHBondContact O-N 2.87Å; E474-L477 PolarHBondContact O-N 3.35Å; E474-H478 WeakPolarHBondContact O-CB 3.3Å; E474-H478 PolarHBondContact O-CD2 2.56Å; E474-H478 PolarHBondContact O-N 2.97Å; E474-H478 IonicContact OE2-CD2 2.98Å; E474-H478 PolarHBondContact OE2-CD2 3.33Å; E474-H478 IonicContact OE2-NE2 3.96Å
475	A	91.6	Very high	89.9	Confident	6 Å²	6	67.7 Å²	67.7	5%	0.05	35%	0.345	C	S	.	.	H	α-helix	trans	-62.6	-47.8	174.9	0	0	0	0	0	112.4	F464 D471 L472 F473 L477 H478 D479	F464-A475 HydrophobicContact CD1-CB 4.37Å; D471-A475 WeakPolarHBondContact O-CB 3.45Å; D471-A475 PolarHBondContact O-N 2.89Å; L472-A475 WeakPolarHBondContact O-CB 3.45Å; L472-A475 PolarHBondContact O-N 3.46Å; F473-A475 VanDerWaalsContact C-N 3.26Å; F473-A475 PolarHBondContact O-N 3.22Å; A475-L477 PolarHBondContact O-N 2.75Å; A475-H478 PolarHBondContact O-N 3.11Å; A475-D479 WeakPolarHBondContact CA-OD2 3.45Å; A475-D479 WeakPolarHBondContact CB-OD2 3.5Å; A475-D479 WeakPolarHBondContact O-CA 3.45Å; A475-D479 WeakPolarHBondContact O-CB 3.48Å; A475-D479 PolarHBondContact O-N 3.04Å
476	I	93.5	Very high	90.3	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-57	-39.4	175.2	-72.4	164.8	0	0	0	111.2	P434 W448 F464 L472 F473 K501	P434-I476 HydrophobicContact CB-CG2 4.18Å; P434-I476 HydrophobicContact CG-CG2 3.7Å; W448-I476 HydrophobicContact CH2-CG2 4.36Å; W448-I476 HydrophobicContact CZ2-CG2 3.84Å; F464-I476 HydrophobicContact CB-CG1 4.1Å; F464-I476 HydrophobicContact CD2-CG1 3.7Å; F464-I476 HydrophobicContact CE2-CG1 4.27Å; F464-I476 HydrophobicContact CG-CG1 3.89Å; L472-I476 HydrophobicContact CD1-CD1 4.47Å; L472-I476 HydrophobicContact CG-CD1 4.12Å; L472-I476 VanDerWaalsContact O-CG1 3.31Å; L472-I476 WeakPolarHBondContact O-CG1 3.38Å; L472-I476 PolarHBondContact O-N 3.26Å; F473-I476 HydrophobicContact CD1-CD1 4.42Å; F473-I476 PolarHBondContact O-N 3.26Å; I476-K501 VanDerWaalsContact O-CE 3.26Å; I476-K501 WeakPolarHBondContact O-CE 3.48Å
477	L	91.3	Very high	90.8	Very high	42 Å²	42	68.3 Å²	68.3	22%	0.22	34%	0.339	C	S	.	.	H	α-helix	trans	-73	-42.3	-179.6	-74.8	165.7	0	0	0	112.6	P434 F473 E474 A475 K501	P434-L477 HydrophobicContact CB-CD2 3.95Å; F473-L477 WeakPolarHBondContact O-CB 3.38Å; F473-L477 VanDerWaalsContact O-CG 3.29Å; F473-L477 WeakPolarHBondContact O-CG 3.49Å; F473-L477 PolarHBondContact O-N 3.22Å; E474-L477 PolarHBondContact O-N 3.35Å; A475-L477 PolarHBondContact O-N 2.75Å; L477-K501 VanDerWaalsContact C-NZ 3.25Å; L477-K501 WeakPolarHBondContact O-CD 3.39Å; L477-K501 WeakPolarHBondContact O-CE 3.28Å; L477-K501 PolarHBondContact O-NZ 3.33Å
478	H	90.3	Very high	91.6	Very high	131 Å²	131	61.9 Å²	61.9	61%	0.606	31%	0.307	S	S	*	.	H	α-helix	trans	-111.5	-28.8	-164.9	-65.5	-56.6	0	0	0	114.7	E474 A475 K501	E474-H478 WeakPolarHBondContact O-CB 3.3Å; E474-H478 PolarHBondContact O-CD2 2.56Å; E474-H478 PolarHBondContact O-N 2.97Å; E474-H478 IonicContact OE2-CD2 2.98Å; E474-H478 PolarHBondContact OE2-CD2 3.33Å; E474-H478 IonicContact OE2-NE2 3.96Å; A475-H478 PolarHBondContact O-N 3.11Å; H478-K501 PolarHBondContact O-NZ 3.28Å; H478-K501 VanDerWaalsContact O-NZ 3.1Å
479	D	92	Very high	92.2	Very high	31 Å²	31	67.1 Å²	67.1	17%	0.166	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-85.6	150.2	-172.6	-56.3	-31.7	0	0	0	113.3	R10 F464 A475 K501	R10-D479 IonicContact CZ-OD1 2.72Å; R10-D479 IonicContact CZ-OD2 3.66Å; R10-D479 IonicContact NH1-OD1 3.66Å; R10-D479 IonicContact NH1-OD2 3.4Å; R10-D479 PolarHBondContact NH1-OD2 2.91Å; R10-D479 IonicContact NH2-OD1 3.58Å; R10-D479 PolarHBondContact NH2-OD1 2.78Å; R10-D479 IonicContact NH2-OD2 3.04Å; R10-D479 PolarHBondContact NH2-OD2 3.24Å; F464-D479 HydrophobicContact CD1-CB 4.33Å; F464-D479 HydrophobicContact CE1-CB 4.14Å; A475-D479 WeakPolarHBondContact CA-OD2 3.45Å; A475-D479 WeakPolarHBondContact CB-OD2 3.5Å; A475-D479 WeakPolarHBondContact O-CA 3.45Å; A475-D479 WeakPolarHBondContact O-CB 3.48Å; A475-D479 PolarHBondContact O-N 3.04Å; D479-K501 VanDerWaalsContact N-NZ 3.19Å; D479-K501 WeakPolarHBondContact O-CE 3.35Å; D479-K501 PolarHBondContact O-NZ 2.64Å
480	E	93	Very high	92.9	Very high	167 Å²	167	65.6 Å²	65.6	78%	0.78	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-83.7	143.4	170.6	-63	-167.1	159.8	0	0	110.8
481	V	95.2	Very high	93.6	Very high	18 Å²	18	59.5 Å²	59.5	11%	0.109	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-74.4	130.5	173.8	-179	0	0	0	0	109.2	Y455 P463 F464 Y483 M499	Y455-V481 HydrophobicContact CD2-CG1 4.05Å; Y455-V481 HydrophobicContact CE2-CG1 3.64Å; P463-V481 HydrophobicContact CB-CG1 3.82Å; P463-V481 HydrophobicContact CB-CG2 4.28Å; F464-V481 HydrophobicContact CE1-CG2 4.09Å; F464-V481 HydrophobicContact CE2-CG2 3.87Å; F464-V481 HydrophobicContact CZ-CG2 3.37Å; V481-Y483 HydrophobicContact CB-CE1 4.34Å; V481-Y483 HydrophobicContact CB-CE2 4.05Å; V481-Y483 HydrophobicContact CG1-CD1 4.33Å; V481-Y483 HydrophobicContact CG1-CE1 3.7Å; V481-Y483 HydrophobicContact CG1-CE2 4.18Å; V481-Y483 WeakPolarHBondContact O-CD2 3.38Å; V481-Y483 WeakPolarHBondContact O-CE2 3.39Å; V481-M499 HydrophobicContact CG1-CE 3.94Å; V481-M499 HydrophobicContact CG1-SD 4.42Å; V481-M499 HydrophobicContact CG2-CB 4.37Å; V481-M499 HydrophobicContact CG2-CE 4.42Å; V481-M499 HydrophobicContact CG2-SD 4.09Å
482	L	94.3	Very high	94.1	Very high	54 Å²	54	57 Å²	57	28%	0.283	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-88.8	131.7	175.3	-59	179.4	0	0	0	110.7	R10 F12 Y455	R10-L482 HydrophobicContact CB-CD1 3.8Å; R10-L482 HydrophobicContact CB-CD2 4.41Å; R10-L482 WeakPolarHBondContact O-CD1 3.18Å; R10-L482 WeakPolarHBondContact O-CD2 3.44Å; F12-L482 HydrophobicContact CB-CB 4.24Å; F12-L482 HydrophobicContact CB-CD1 4.22Å; F12-L482 HydrophobicContact CD2-CB 4.19Å; Y455-L482 WeakPolarHBondContact CE2-O 3.38Å; Y455-L482 PolarHBondContact OH-O 3.03Å
483	Y	96.2	Very high	94.5	Very high	57 Å²	57	59.8 Å²	59.8	22%	0.224	30%	0.298	C	S	.	.			trans	-113.5	115.4	-179.6	-57.7	-79.2	0	0	0	110.1	Y455 V481 L487 V492 L495 K496 M499	Y455-Y483 HydrophobicContact CD2-CD1 4.49Å; Y455-Y483 HydrophobicContact CD2-CE1 4.43Å; Y455-Y483 HydrophobicContact CE2-CD1 4.21Å; Y455-Y483 HydrophobicContact CE2-CE1 4.42Å; V481-Y483 HydrophobicContact CB-CE1 4.34Å; V481-Y483 HydrophobicContact CB-CE2 4.05Å; V481-Y483 HydrophobicContact CG1-CD1 4.33Å; V481-Y483 HydrophobicContact CG1-CE1 3.7Å; V481-Y483 HydrophobicContact CG1-CE2 4.18Å; V481-Y483 WeakPolarHBondContact O-CD2 3.38Å; V481-Y483 WeakPolarHBondContact O-CE2 3.39Å; Y483-L487 HydrophobicContact CD1-CD1 4.38Å; Y483-V492 HydrophobicContact CD1-CG1 4.37Å; Y483-V492 HydrophobicContact CD2-CG1 4.36Å; Y483-V492 HydrophobicContact CG-CG1 4.07Å; Y483-L495 HydrophobicContact CD1-CB 4.41Å; Y483-L495 HydrophobicContact CD1-CD1 4.24Å; Y483-L495 HydrophobicContact CE1-CB 3.71Å; Y483-L495 HydrophobicContact CE1-CD1 4.27Å; Y483-K496 HydrophobicContact CE1-CG 4.38Å; Y483-K496 HydrophobicContact CE2-CD 4.29Å; Y483-K496 HydrophobicContact CE2-CG 3.71Å; Y483-K496 WeakPolarHBondContact OH-CG 3.23Å; Y483-M499 HydrophobicContact CE1-CE 4.07Å
484	P	93.8	Very high	95	Very high	7 Å²	7	59.2 Å²	59.2	5%	0.045	30%	0.295	C	S	.	.			trans	-63	149.4	177.5	-24.1	33.7	0	0	0	113.3	F12 V459 W486 L487	F12-P484 HydrophobicContact CD1-CB 4.37Å; F12-P484 HydrophobicContact CD1-CG 3.89Å; F12-P484 HydrophobicContact CD2-CG 3.76Å; F12-P484 HydrophobicContact CE1-CB 4.38Å; F12-P484 HydrophobicContact CE1-CG 3.71Å; F12-P484 HydrophobicContact CE2-CG 3.53Å; F12-P484 HydrophobicContact CG-CG 3.93Å; F12-P484 HydrophobicContact CZ-CG 3.51Å; V459-P484 HydrophobicContact CG1-CG 3.89Å; V459-P484 HydrophobicContact CG2-CG 4.25Å; P484-W486 HydrophobicContact CB-CD2 3.47Å; P484-W486 VanDerWaalsContact CB-CD2 3.47Å; P484-W486 HydrophobicContact CB-CE3 3.58Å; P484-W486 HydrophobicContact CB-CG 4.28Å; P484-W486 HydrophobicContact CB-CH2 3.53Å; P484-W486 HydrophobicContact CB-CZ2 3.34Å; P484-W486 HydrophobicContact CB-CZ3 3.62Å; P484-W486 HydrophobicContact CG-CD2 4.48Å; P484-W486 HydrophobicContact CG-CH2 3.9Å; P484-W486 HydrophobicContact CG-CZ2 3.52Å; P484-W486 HydrophobicContact CG-CZ3 4.47Å; P484-W486 PolarHBondContact O-N 3.49Å; P484-W486 VanDerWaalsContact O-N 3.15Å; P484-L487 PolarHBondContact O-N 3.05Å; P484-L487 VanDerWaalsContact O-N 3.15Å
485	V	94	Very high	95.5	Very high	147 Å²	147	55.3 Å²	55.3	89%	0.891	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-19.2	-176.6	-63.1	0	0	0	0	114.6	L487	V485-L487 VanDerWaalsContact C-N 3.32Å
486	W	94.6	Very high	95.8	Very high	109 Å²	109	60.5 Å²	60.5	41%	0.413	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-9.7	178.5	61.3	79.2	0	0	0	113.7	F12 E14 P484	F12-W486 HydrophobicContact CD1-CH2 4.1Å; F12-W486 AromaticContact CE1-CH2 3.45Å; F12-W486 HydrophobicContact CE1-CH2 3.45Å; F12-W486 VanDerWaalsContact CE1-CH2 3.45Å; F12-W486 AromaticContact CE1-CZ2 3.96Å; F12-W486 HydrophobicContact CE1-CZ2 3.96Å; F12-W486 HydrophobicContact CE1-CZ3 4.39Å; F12-W486 HydrophobicContact CZ-CH2 4.15Å; F12-W486 HydrophobicContact CZ-CZ2 4.21Å; E14-W486 HydrophobicContact CB-CH2 4.19Å; E14-W486 HydrophobicContact CG-CH2 4.23Å; P484-W486 HydrophobicContact CB-CD2 3.47Å; P484-W486 VanDerWaalsContact CB-CD2 3.47Å; P484-W486 HydrophobicContact CB-CE3 3.58Å; P484-W486 HydrophobicContact CB-CG 4.28Å; P484-W486 HydrophobicContact CB-CH2 3.53Å; P484-W486 HydrophobicContact CB-CZ2 3.34Å; P484-W486 HydrophobicContact CB-CZ3 3.62Å; P484-W486 HydrophobicContact CG-CD2 4.48Å; P484-W486 HydrophobicContact CG-CH2 3.9Å; P484-W486 HydrophobicContact CG-CZ2 3.52Å; P484-W486 HydrophobicContact CG-CZ3 4.47Å; P484-W486 PolarHBondContact O-N 3.49Å; P484-W486 VanDerWaalsContact O-N 3.15Å
487	L	97.4	Very high	96	Very high	18 Å²	18	61.2 Å²	61.2	9%	0.094	31%	0.306	C	S	.	.	S	Bend	trans	-71.7	138.1	172.2	-65.4	179.3	0	0	0	109.8	M458 V459 Y483 P484 V485 A491 V492 L495	M458-L487 HydrophobicContact CB-CD2 3.76Å; V459-L487 HydrophobicContact CG2-CD1 3.94Å; V459-L487 HydrophobicContact CG2-CD2 4.23Å; V459-L487 HydrophobicContact CG2-CG 4.46Å; Y483-L487 HydrophobicContact CD1-CD1 4.38Å; P484-L487 PolarHBondContact O-N 3.05Å; P484-L487 VanDerWaalsContact O-N 3.15Å; V485-L487 VanDerWaalsContact C-N 3.32Å; L487-A491 HydrophobicContact CB-CB 4.34Å; L487-V492 HydrophobicContact CB-CG2 3.68Å; L487-V492 HydrophobicContact CD1-CG2 4.25Å; L487-L495 HydrophobicContact CD1-CD1 3.95Å
488	S	98.1	Very high	96.3	Very high	30 Å²	30	59.2 Å²	59.2	21%	0.21	30%	0.296	C	S	.	.			trans	-63.7	161.4	173	66.4	0	0	0	0	111.8	E364 E490 A491 V492	E364-S488 PolarHBondContact OE1-OG 3.3Å; E364-S488 VanDerWaalsContact OE1-OG 3.11Å; E364-S488 WeakPolarHBondContact OE2-CB 3.39Å; E364-S488 PolarHBondContact OE2-OG 3.19Å; S488-E490 PolarHBondContact O-N 2.65Å; S488-A491 PolarHBondContact O-N 2.81Å; S488-A491 VanDerWaalsContact OG-CB 3.24Å; S488-A491 WeakPolarHBondContact OG-CB 3.27Å; S488-A491 PolarHBondContact OG-N 2.75Å; S488-V492 WeakPolarHBondContact O-CG2 3.39Å; S488-V492 PolarHBondContact O-N 3.05Å
489	K	98.2	Very high	96.7	Very high	182 Å²	182	53.6 Å²	53.6	79%	0.791	27%	0.27	S	S	*	.	H	α-helix	trans	-60	-38	176.3	-66.9	-178.6	-179.3	178	0	111	S493	K489-S493 VanDerWaalsContact O-CB 3.26Å; K489-S493 WeakPolarHBondContact O-CB 3.1Å; K489-S493 PolarHBondContact O-N 2.92Å
490	E	98.3	Very high	97	Very high	74 Å²	74	54.1 Å²	54.1	35%	0.346	27%	0.274	S	S	.	.	H	α-helix	trans	-67	-43	177.7	-65.8	73	-165	0	0	111.7	S488 S493 I494 P523 F524	S488-E490 PolarHBondContact O-N 2.65Å; E490-S493 PolarHBondContact O-N 2.78Å; E490-I494 PolarHBondContact O-N 2.66Å; E490-P523 HydrophobicContact CG-CB 4.25Å; E490-F524 HydrophobicContact CB-CB 4.42Å; E490-F524 HydrophobicContact CB-CD2 4.35Å
491	A	98.6	Very high	97	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.8	-47.3	175.1	0	0	0	0	0	111.4	M458 L487 S488 S493 I494 L495 F524	M458-A491 HydrophobicContact CE-CB 4.32Å; M458-A491 HydrophobicContact SD-CB 3.94Å; L487-A491 HydrophobicContact CB-CB 4.34Å; S488-A491 PolarHBondContact O-N 2.81Å; S488-A491 VanDerWaalsContact OG-CB 3.24Å; S488-A491 WeakPolarHBondContact OG-CB 3.27Å; S488-A491 PolarHBondContact OG-N 2.75Å; A491-S493 VanDerWaalsContact C-N 3.31Å; A491-S493 PolarHBondContact O-N 3.12Å; A491-I494 VanDerWaalsContact O-CG2 3.27Å; A491-I494 WeakPolarHBondContact O-CG2 3.03Å; A491-I494 PolarHBondContact O-N 3.49Å; A491-L495 WeakPolarHBondContact O-CB 3.35Å; A491-L495 WeakPolarHBondContact O-CD1 3.24Å; A491-L495 WeakPolarHBondContact O-CG 3.46Å; A491-L495 PolarHBondContact O-N 3.38Å; A491-L495 VanDerWaalsContact O-N 3.08Å; A491-F524 HydrophobicContact CB-CD2 4.21Å; A491-F524 HydrophobicContact CB-CE2 3.91Å
492	V	98.6	Very high	96.9	Very high	29 Å²	29	52 Å²	52	18%	0.176	27%	0.265	C	S	.	.	H	α-helix	trans	-62	-41.2	176.3	176.5	0	0	0	0	111.1	Y483 L487 S488 K496	Y483-V492 HydrophobicContact CD1-CG1 4.37Å; Y483-V492 HydrophobicContact CD2-CG1 4.36Å; Y483-V492 HydrophobicContact CG-CG1 4.07Å; L487-V492 HydrophobicContact CB-CG2 3.68Å; L487-V492 HydrophobicContact CD1-CG2 4.25Å; S488-V492 WeakPolarHBondContact O-CG2 3.39Å; S488-V492 PolarHBondContact O-N 3.05Å; V492-K496 HydrophobicContact CG1-CD 4.06Å; V492-K496 HydrophobicContact CG1-CG 4.4Å; V492-K496 WeakPolarHBondContact O-CB 3.25Å; V492-K496 WeakPolarHBondContact O-CG 3.18Å; V492-K496 PolarHBondContact O-N 3.32Å
493	S	98.4	Very high	96.8	Very high	59 Å²	59	52 Å²	52	41%	0.413	26%	0.263	S	S	.	.	H	α-helix	trans	-59.5	-50.3	178.2	-178.8	0	0	0	0	112.2	K489 E490 A491 L495 K496 G497 H522	K489-S493 VanDerWaalsContact O-CB 3.26Å; K489-S493 WeakPolarHBondContact O-CB 3.1Å; K489-S493 PolarHBondContact O-N 2.92Å; E490-S493 PolarHBondContact O-N 2.78Å; A491-S493 VanDerWaalsContact C-N 3.31Å; A491-S493 PolarHBondContact O-N 3.12Å; S493-L495 PolarHBondContact O-N 2.77Å; S493-K496 PolarHBondContact O-N 2.91Å; S493-G497 PolarHBondContact O-N 3.12Å; S493-H522 PolarHBondContact OG-NE2 2.97Å; S493-H522 VanDerWaalsContact OG-NE2 3.07Å
494	I	98.6	Very high	96.6	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-67.1	-40.2	-178.2	-166.1	158.5	0	0	0	111.7	M454 E490 A491 K496 G497 F498 L507 H522 F524 F525	M454-I494 HydrophobicContact CE-CD1 4.07Å; M454-I494 HydrophobicContact CE-CG1 4.26Å; M454-I494 HydrophobicContact CE-CG2 3.59Å; E490-I494 PolarHBondContact O-N 2.66Å; A491-I494 VanDerWaalsContact O-CG2 3.27Å; A491-I494 WeakPolarHBondContact O-CG2 3.03Å; A491-I494 PolarHBondContact O-N 3.49Å; I494-K496 PolarHBondContact O-N 3.04Å; I494-G497 PolarHBondContact O-N 3.2Å; I494-G497 VanDerWaalsContact O-N 3.15Å; I494-F498 HydrophobicContact CD1-CE2 3.77Å; I494-F498 HydrophobicContact CD1-CZ 4.39Å; I494-F498 HydrophobicContact CG1-CD2 3.77Å; I494-F498 HydrophobicContact CG1-CE2 3.51Å; I494-F498 HydrophobicContact CG1-CZ 4.35Å; I494-F498 PolarHBondContact O-N 3.21Å; I494-L507 HydrophobicContact CD1-CD2 4.49Å; I494-L507 HydrophobicContact CG1-CD2 3.89Å; I494-H522 VanDerWaalsContact CB-CE1 3.42Å; I494-H522 WeakPolarHBondContact CB-CE1 3.21Å; I494-H522 HydrophobicContact CD1-CB 4.2Å; I494-H522 PolarHBondContact N-CE1 3.44Å; I494-F524 HydrophobicContact CB-CB 4.02Å; I494-F524 HydrophobicContact CB-CG 4.32Å; I494-F524 HydrophobicContact CD1-CB 3.82Å; I494-F524 HydrophobicContact CD1-CD1 3.86Å; I494-F524 HydrophobicContact CD1-CG 4.1Å; I494-F524 HydrophobicContact CG2-CB 3.95Å; I494-F524 HydrophobicContact CG2-CD1 4.11Å; I494-F524 HydrophobicContact CG2-CD2 3.91Å; I494-F524 HydrophobicContact CG2-CE2 4.43Å; I494-F524 HydrophobicContact CG2-CG 3.72Å; I494-F525 HydrophobicContact CD1-CD2 3.88Å; I494-F525 HydrophobicContact CD1-CE2 3.43Å; I494-F525 VanDerWaalsContact CD1-CE2 3.43Å; I494-F525 HydrophobicContact CD1-CZ 4.09Å
495	L	98.7	Very high	96.7	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-63.8	-41.5	178.5	-69.4	171.8	0	0	0	111.7	G451 M454 Y455 M458 Y483 L487 A491 S493 G497 F498 M499	G451-L495 WeakPolarHBondContact O-CD2 3.48Å; M454-L495 HydrophobicContact CB-CD2 3.61Å; Y455-L495 HydrophobicContact CD2-CD1 4.13Å; M458-L495 HydrophobicContact CE-CD1 3.89Å; M458-L495 HydrophobicContact CE-CD2 4Å; M458-L495 HydrophobicContact CE-CG 4.07Å; Y483-L495 HydrophobicContact CD1-CB 4.41Å; Y483-L495 HydrophobicContact CD1-CD1 4.24Å; Y483-L495 HydrophobicContact CE1-CB 3.71Å; Y483-L495 HydrophobicContact CE1-CD1 4.27Å; L487-L495 HydrophobicContact CD1-CD1 3.95Å; A491-L495 WeakPolarHBondContact O-CB 3.35Å; A491-L495 WeakPolarHBondContact O-CD1 3.24Å; A491-L495 WeakPolarHBondContact O-CG 3.46Å; A491-L495 PolarHBondContact O-N 3.38Å; A491-L495 VanDerWaalsContact O-N 3.08Å; S493-L495 PolarHBondContact O-N 2.77Å; L495-G497 VanDerWaalsContact C-N 3.33Å; L495-F498 PolarHBondContact O-N 3.48Å; L495-M499 HydrophobicContact CB-CE 3.8Å; L495-M499 HydrophobicContact CD2-CE 4.05Å; L495-M499 HydrophobicContact CG-CE 4.45Å; L495-M499 WeakPolarHBondContact O-CB 3.25Å; L495-M499 PolarHBondContact O-N 3.11Å
496	K	98.2	Very high	96.9	Very high	115 Å²	115	54.9 Å²	54.9	50%	0.5	27%	0.269	S	S	.	.	H	α-helix	trans	-62.9	-40	172.5	-77	-178.6	175.8	-175	0	111.8	Y483 V492 S493 I494 T500	Y483-K496 HydrophobicContact CE1-CG 4.38Å; Y483-K496 HydrophobicContact CE2-CD 4.29Å; Y483-K496 HydrophobicContact CE2-CG 3.71Å; Y483-K496 WeakPolarHBondContact OH-CG 3.23Å; V492-K496 HydrophobicContact CG1-CD 4.06Å; V492-K496 HydrophobicContact CG1-CG 4.4Å; V492-K496 WeakPolarHBondContact O-CB 3.25Å; V492-K496 WeakPolarHBondContact O-CG 3.18Å; V492-K496 PolarHBondContact O-N 3.32Å; S493-K496 PolarHBondContact O-N 2.91Å; I494-K496 PolarHBondContact O-N 3.04Å; K496-T500 PolarHBondContact O-N 3.09Å; K496-T500 PolarHBondContact O-OG1 3.48Å
497	G	97.8	Very high	97	Very high	16 Å²	16	50.9 Å²	50.9	17%	0.165	26%	0.255	C	S	.	.	H	α-helix	trans	-59.1	-49.2	176	0	0	0	0	0	112.6	S493 I494 L495 T500 R506 L507	S493-G497 PolarHBondContact O-N 3.12Å; I494-G497 PolarHBondContact O-N 3.2Å; I494-G497 VanDerWaalsContact O-N 3.15Å; L495-G497 VanDerWaalsContact C-N 3.33Å; G497-T500 PolarHBondContact O-OG1 3.21Å; G497-R506 WeakPolarHBondContact O-CG 3.34Å; G497-L507 VanDerWaalsContact C-CB 3.45Å; G497-L507 WeakPolarHBondContact O-CB 3.3Å; G497-L507 PolarHBondContact O-N 2.93Å
498	F	98.5	Very high	96.9	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-73.2	-42.5	179.4	-74.1	-46.4	0	0	0	113.7	W447 L450 M454 I494 L495 T500 R506 L507 V519	W447-F498 HydrophobicContact CB-CD1 3.94Å; W447-F498 HydrophobicContact CB-CE1 4.14Å; W447-F498 HydrophobicContact CD2-CE1 4.17Å; W447-F498 HydrophobicContact CE3-CD1 4.47Å; W447-F498 AromaticContact CE3-CE1 3.6Å; W447-F498 HydrophobicContact CE3-CE1 3.6Å; W447-F498 HydrophobicContact CE3-CZ 4.11Å; W447-F498 HydrophobicContact CG-CE1 4.42Å; W447-F498 HydrophobicContact CZ3-CE1 4.37Å; W447-F498 WeakPolarHBondContact O-CB 3.47Å; W447-F498 WeakPolarHBondContact O-CD1 3.23Å; W447-F498 WeakPolarHBondContact O-CG 3.33Å; L450-F498 HydrophobicContact CD2-CE1 4.34Å; L450-F498 HydrophobicContact CD2-CE2 4Å; L450-F498 HydrophobicContact CD2-CZ 3.69Å; L450-F498 HydrophobicContact CG-CE2 4.21Å; L450-F498 HydrophobicContact CG-CZ 4.33Å; M454-F498 HydrophobicContact SD-CD2 3.91Å; M454-F498 HydrophobicContact SD-CE2 3.59Å; M454-F498 VanDerWaalsContact SD-CE2 3.59Å; I494-F498 HydrophobicContact CD1-CE2 3.77Å; I494-F498 HydrophobicContact CD1-CZ 4.39Å; I494-F498 HydrophobicContact CG1-CD2 3.77Å; I494-F498 HydrophobicContact CG1-CE2 3.51Å; I494-F498 HydrophobicContact CG1-CZ 4.35Å; I494-F498 PolarHBondContact O-N 3.21Å; L495-F498 PolarHBondContact O-N 3.48Å; F498-T500 PolarHBondContact O-N 3.46Å; F498-R506 WeakPolarHBondContact O-CD 3.37Å; F498-R506 WeakPolarHBondContact O-CG 3.39Å; F498-R506 PolarHBondContact O-NE 2.8Å; F498-L507 HydrophobicContact CD1-CB 4.11Å; F498-L507 HydrophobicContact CD1-CD2 4.14Å; F498-L507 HydrophobicContact CD1-CG 4.3Å; F498-L507 HydrophobicContact CE1-CB 4.4Å; F498-L507 HydrophobicContact CE1-CD2 3.95Å; F498-L507 HydrophobicContact CE1-CG 4.11Å; F498-L507 HydrophobicContact CE2-CD2 4.35Å; F498-L507 HydrophobicContact CG-CD2 4.44Å; F498-L507 HydrophobicContact CZ-CD2 4.08Å; F498-V519 HydrophobicContact CE1-CG1 4.12Å; F498-V519 HydrophobicContact CE1-CG2 3.94Å; F498-V519 HydrophobicContact CZ-CG1 3.59Å; F498-V519 HydrophobicContact CZ-CG2 4.27Å
499	M	98.1	Very high	96.7	Very high	12 Å²	12	50.4 Å²	50.4	6%	0.059	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	30	179.7	-63.7	-178.2	-72.9	0	0	112.7	W448 V452 Y455 P463 V481 Y483 L495 K501	W448-M499 HydrophobicContact CE3-CB 4.31Å; W448-M499 HydrophobicContact CH2-CB 4.37Å; W448-M499 HydrophobicContact CZ3-CB 4.01Å; W448-M499 WeakPolarHBondContact CZ3-O 3.31Å; V452-M499 HydrophobicContact CG2-SD 4.31Å; Y455-M499 HydrophobicContact CD2-CE 3.9Å; Y455-M499 HydrophobicContact CG-CE 4.35Å; P463-M499 HydrophobicContact CB-SD 4.07Å; P463-M499 HydrophobicContact CG-SD 3.93Å; V481-M499 HydrophobicContact CG1-CE 3.94Å; V481-M499 HydrophobicContact CG1-SD 4.42Å; V481-M499 HydrophobicContact CG2-CB 4.37Å; V481-M499 HydrophobicContact CG2-CE 4.42Å; V481-M499 HydrophobicContact CG2-SD 4.09Å; Y483-M499 HydrophobicContact CE1-CE 4.07Å; L495-M499 HydrophobicContact CB-CE 3.8Å; L495-M499 HydrophobicContact CD2-CE 4.05Å; L495-M499 HydrophobicContact CG-CE 4.45Å; L495-M499 WeakPolarHBondContact O-CB 3.25Å; L495-M499 PolarHBondContact O-N 3.11Å; M499-K501 PolarHBondContact O-N 3.41Å
500	T	97.3	Very high	96.4	Very high	42 Å²	42	43.2 Å²	43.2	26%	0.258	23%	0.225	S	C	.	.			trans	-73.4	117.7	166.9	-67.2	0	0	0	0	109	K496 G497 F498 N502 K505 R506	K496-T500 PolarHBondContact O-N 3.09Å; K496-T500 PolarHBondContact O-OG1 3.48Å; G497-T500 PolarHBondContact O-OG1 3.21Å; F498-T500 PolarHBondContact O-N 3.46Å; T500-N502 PolarHBondContact O-N 3.23Å; T500-K505 HydrophobicContact CG2-CB 3.95Å; T500-R506 PolarHBondContact O-NE 3.04Å; T500-R506 PolarHBondContact O-NH2 3.24Å
501	K	94.4	Very high	95.8	Very high	70 Å²	70	44 Å²	44	30%	0.304	24%	0.244	S	C	.	.	S	Bend	trans	-59.6	-42.8	-176.4	-66	-176.2	177.7	-179.3	0	113.1	P434 W448 I476 L477 H478 D479 M499 H503 R506	P434-K501 HydrophobicContact CG-CB 4.49Å; P434-K501 HydrophobicContact CG-CG 4.41Å; W448-K501 HydrophobicContact CZ3-CG 4.36Å; I476-K501 VanDerWaalsContact O-CE 3.26Å; I476-K501 WeakPolarHBondContact O-CE 3.48Å; L477-K501 VanDerWaalsContact C-NZ 3.25Å; L477-K501 WeakPolarHBondContact O-CD 3.39Å; L477-K501 WeakPolarHBondContact O-CE 3.28Å; L477-K501 PolarHBondContact O-NZ 3.33Å; H478-K501 PolarHBondContact O-NZ 3.28Å; H478-K501 VanDerWaalsContact O-NZ 3.1Å; D479-K501 VanDerWaalsContact N-NZ 3.19Å; D479-K501 WeakPolarHBondContact O-CE 3.35Å; D479-K501 PolarHBondContact O-NZ 2.64Å; M499-K501 PolarHBondContact O-N 3.41Å; K501-H503 PolarHBondContact O-N 2.67Å; K501-H503 VanDerWaalsContact O-N 3.13Å; K501-R506 PolarHBondContact O-NH2 2.73Å
502	N	93.3	Very high	95.3	Very high	72 Å²	72	50.3 Å²	50.3	39%	0.385	28%	0.283	S	S	.	.	S	Bend	trans	-74.4	104.3	172.9	-175.8	-15.2	0	0	0	109.9	T500 L504 K505 R506	T500-N502 PolarHBondContact O-N 3.23Å; N502-L504 PolarHBondContact O-N 2.96Å; N502-L504 VanDerWaalsContact O-N 3.09Å; N502-L504 WeakPolarHBondContact OD1-CB 3.38Å; N502-L504 PolarHBondContact OD1-N 3.22Å; N502-K505 PolarHBondContact O-N 2.87Å; N502-R506 PolarHBondContact O-N 2.98Å
503	H	92.6	Very high	94.7	Very high	53 Å²	53	53.5 Å²	53.5	25%	0.245	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-55.8	-27.4	-179.6	72.2	94.7	0	0	0	113.8	E435 C444 K501 K505 R506 C509	E435-H503 WeakPolarHBondContact OE1-CB 3.36Å; C444-H503 HydrophobicContact CB-CB 4.06Å; K501-H503 PolarHBondContact O-N 2.67Å; K501-H503 VanDerWaalsContact O-N 3.13Å; H503-K505 PolarHBondContact O-N 3.48Å; H503-R506 WeakPolarHBondContact O-CB 3.14Å; H503-R506 PolarHBondContact O-N 3.33Å; H503-C509 WeakPolarHBondContact O-CB 3.36Å
504	L	91.3	Very high	94.3	Very high	119 Å²	119	52.6 Å²	52.6	62%	0.623	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-72	-11.9	176.6	-58.9	176.5	0	0	0	113.8	N502 V510	N502-L504 PolarHBondContact O-N 2.96Å; N502-L504 VanDerWaalsContact O-N 3.09Å; N502-L504 WeakPolarHBondContact OD1-CB 3.38Å; N502-L504 PolarHBondContact OD1-N 3.22Å; L504-V510 WeakPolarHBondContact O-CG2 3.26Å
505	K	95.4	Very high	94	Very high	152 Å²	152	53.2 Å²	53.2	66%	0.661	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-114.6	1.3	176.9	-63.6	-173.7	178.9	-176.6	0	112.5	T500 N502 H503	T500-K505 HydrophobicContact CG2-CB 3.95Å; N502-K505 PolarHBondContact O-N 2.87Å; H503-K505 PolarHBondContact O-N 3.48Å
506	R	97.4	Very high	93.7	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	32%	0.318	C	S	.	.	S	Bend	trans	-75.3	141.3	-175.1	-168.8	-179.8	-64.5	149.6	5	111.3	E435 C444 G497 F498 T500 K501 N502 H503 G508 C509	E435-R506 IonicContact OE1-CZ 3.6Å; E435-R506 IonicContact OE1-NH1 3.88Å; E435-R506 PolarHBondContact OE1-NH1 2.8Å; E435-R506 IonicContact OE1-NH2 3.43Å; E435-R506 PolarHBondContact OE1-NH2 2.68Å; E435-R506 IonicContact OE2-CZ 3.97Å; E435-R506 IonicContact OE2-NH1 3.57Å; E435-R506 IonicContact OE2-NH2 3.43Å; E435-R506 PolarHBondContact OE2-NH2 2.62Å; C444-R506 PolarHBondContact O-NH1 2.82Å; G497-R506 WeakPolarHBondContact O-CG 3.34Å; F498-R506 WeakPolarHBondContact O-CD 3.37Å; F498-R506 WeakPolarHBondContact O-CG 3.39Å; F498-R506 PolarHBondContact O-NE 2.8Å; T500-R506 PolarHBondContact O-NE 3.04Å; T500-R506 PolarHBondContact O-NH2 3.24Å; K501-R506 PolarHBondContact O-NH2 2.73Å; N502-R506 PolarHBondContact O-N 2.98Å; H503-R506 WeakPolarHBondContact O-CB 3.14Å; H503-R506 PolarHBondContact O-N 3.33Å; R506-G508 PolarHBondContact O-N 2.77Å; R506-C509 HydrophobicContact CB-CB 4.37Å; R506-C509 WeakPolarHBondContact O-CB 3.39Å; R506-C509 PolarHBondContact O-N 3.05Å
507	L	97.5	Very high	93.5	Very high	25 Å²	25	54.3 Å²	54.3	13%	0.131	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	133.7	171.3	-178.8	64.5	0	0	0	109.9	I494 G497 F498 A518 V519	I494-L507 HydrophobicContact CD1-CD2 4.49Å; I494-L507 HydrophobicContact CG1-CD2 3.89Å; G497-L507 VanDerWaalsContact C-CB 3.45Å; G497-L507 WeakPolarHBondContact O-CB 3.3Å; G497-L507 PolarHBondContact O-N 2.93Å; F498-L507 HydrophobicContact CD1-CB 4.11Å; F498-L507 HydrophobicContact CD1-CD2 4.14Å; F498-L507 HydrophobicContact CD1-CG 4.3Å; F498-L507 HydrophobicContact CE1-CB 4.4Å; F498-L507 HydrophobicContact CE1-CD2 3.95Å; F498-L507 HydrophobicContact CE1-CG 4.11Å; F498-L507 HydrophobicContact CE2-CD2 4.35Å; F498-L507 HydrophobicContact CG-CD2 4.44Å; F498-L507 HydrophobicContact CZ-CD2 4.08Å; L507-A518 HydrophobicContact CD1-CB 4.07Å; L507-V519 HydrophobicContact CG-CG2 4.18Å
508	G	96	Very high	93.5	Very high	6 Å²	6	54.2 Å²	54.2	6%	0.062	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.3	-14.4	-173.2	0	0	0	0	0	114.9	R506 G515 E516	R506-G508 PolarHBondContact O-N 2.77Å; G508-G515 CarbonylContact C-O 3.54Å; G508-G515 VanDerWaalsContact CA-O 3.23Å; G508-G515 WeakPolarHBondContact CA-O 3.37Å; G508-G515 CarbonylContact O-C 3.44Å; G508-E516 PolarHBondContact O-N 3.42Å
509	C	93.7	Very high	93.5	Very high	32 Å²	32	54.2 Å²	54.2	22%	0.216	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-19	-174.3	-64.6	0	0	0	0	114.8	C444 H503 R506 A511	C444-C509 WeakPolarHBondContact CA-SG 3.44Å; C444-C509 HydrophobicContact CB-CB 4.36Å; C444-C509 WeakPolarHBondContact CB-SG 3.2Å; C444-C509 WeakPolarHBondContact SG-CB 3.47Å; C444-C509 CovalentContact SG-SG 2.03Å; C444-C509 PolarHBondContact SG-SG 3.04Å; H503-C509 WeakPolarHBondContact O-CB 3.36Å; R506-C509 HydrophobicContact CB-CB 4.37Å; R506-C509 WeakPolarHBondContact O-CB 3.39Å; R506-C509 PolarHBondContact O-N 3.05Å; C509-A511 PolarHBondContact O-N 3.42Å
510	V	90.9	Very high	93.5	Very high	31 Å²	31	55.9 Å²	55.9	19%	0.188	32%	0.322	C	S	.	.			trans	-84	99.8	-174.8	-178.5	0	0	0	0	109.6	L504 T512 V513 G515	L504-V510 WeakPolarHBondContact O-CG2 3.26Å; V510-T512 WeakPolarHBondContact CG1-OG1 3.48Å; V510-T512 PolarHBondContact O-N 2.83Å; V510-V513 HydrophobicContact CB-CG2 3.63Å; V510-V513 HydrophobicContact CG1-CB 4.46Å; V510-V513 HydrophobicContact CG1-CG1 4.15Å; V510-V513 HydrophobicContact CG1-CG2 3.7Å; V510-V513 WeakPolarHBondContact O-CG2 3.19Å; V510-V513 PolarHBondContact O-N 2.95Å; V510-V513 VanDerWaalsContact O-N 3.16Å; V510-G515 WeakPolarHBondContact O-CA 3.19Å; V510-G515 PolarHBondContact O-N 3.24Å
511	A	87.1	Confident	93.5	Very high	90 Å²	90	57.8 Å²	57.8	74%	0.744	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-56.2	-36.1	-177.6	0	0	0	0	0	113.4	C509 V513 G514	C509-A511 PolarHBondContact O-N 3.42Å; A511-V513 PolarHBondContact O-N 3.42Å; A511-G514 PolarHBondContact O-N 2.61Å
512	T	86.8	Confident	93.6	Very high	134 Å²	134	55.5 Å²	55.5	82%	0.822	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-69.1	-14.7	-177.6	55.6	0	0	0	0	114.4	V510	V510-T512 WeakPolarHBondContact CG1-OG1 3.48Å; V510-T512 PolarHBondContact O-N 2.83Å
513	V	87.6	Confident	93.9	Very high	96 Å²	96	55.6 Å²	55.6	58%	0.582	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-113.7	15.6	177.3	-54.6	0	0	0	0	112.4	V510 A511 A518	V510-V513 HydrophobicContact CB-CG2 3.63Å; V510-V513 HydrophobicContact CG1-CB 4.46Å; V510-V513 HydrophobicContact CG1-CG1 4.15Å; V510-V513 HydrophobicContact CG1-CG2 3.7Å; V510-V513 WeakPolarHBondContact O-CG2 3.19Å; V510-V513 PolarHBondContact O-N 2.95Å; V510-V513 VanDerWaalsContact O-N 3.16Å; A511-V513 PolarHBondContact O-N 3.42Å; V513-A518 HydrophobicContact CG2-CB 4.34Å; V513-A518 WeakPolarHBondContact O-CB 3.39Å
514	G	89.1	Confident	94.2	Very high	39 Å²	39	53.2 Å²	53.2	40%	0.402	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	104.2	2.7	177.6	0	0	0	0	0	115.2	A511 E516 D517	A511-G514 PolarHBondContact O-N 2.61Å; G514-E516 PolarHBondContact O-N 3.14Å; G514-D517 PolarHBondContact O-N 3.32Å
515	G	91.3	Very high	94.5	Very high	13 Å²	13	47.6 Å²	47.6	13%	0.134	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	-122.5	177.4	0	0	0	0	0	112.1	G508 V510 D517 A518	G508-G515 CarbonylContact C-O 3.54Å; G508-G515 VanDerWaalsContact CA-O 3.23Å; G508-G515 WeakPolarHBondContact CA-O 3.37Å; G508-G515 CarbonylContact O-C 3.44Å; V510-G515 WeakPolarHBondContact O-CA 3.19Å; V510-G515 PolarHBondContact O-N 3.24Å; G515-D517 VanDerWaalsContact C-N 3.33Å; G515-D517 PolarHBondContact O-N 3.15Å; G515-A518 VanDerWaalsContact O-CB 3.28Å; G515-A518 WeakPolarHBondContact O-CB 3.27Å; G515-A518 PolarHBondContact O-N 2.96Å
516	E	92.9	Very high	94.6	Very high	40 Å²	40	47.6 Å²	47.6	19%	0.187	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-28.9	178.9	-61.5	-167.2	162.9	0	0	113.6	Q379 H382 W447 G508 G514 A518 V519	Q379-E516 HydrophobicContact CG-CB 4.4Å; Q379-E516 PolarHBondContact NE2-O 2.74Å; Q379-E516 VanDerWaalsContact NE2-O 3.11Å; H382-E516 WeakPolarHBondContact CB-OE1 3.48Å; H382-E516 IonicContact CE1-OE1 2.78Å; H382-E516 IonicContact CG-OE1 2.83Å; H382-E516 IonicContact ND1-OE1 2.65Å; H382-E516 PolarHBondContact ND1-OE1 3.01Å; W447-E516 HydrophobicContact CZ2-CB 4.17Å; W447-E516 HydrophobicContact CZ2-CG 3.92Å; G508-E516 PolarHBondContact O-N 3.42Å; G514-E516 PolarHBondContact O-N 3.14Å; E516-A518 PolarHBondContact O-N 3.49Å; E516-V519 VanDerWaalsContact O-CB 3.3Å; E516-V519 WeakPolarHBondContact O-CB 3.46Å; E516-V519 WeakPolarHBondContact O-CG2 3.35Å; E516-V519 PolarHBondContact O-N 3.01Å; E516-V519 VanDerWaalsContact O-N 3.09Å
517	D	95.5	Very high	94.5	Very high	98 Å²	98	53.5 Å²	53.5	52%	0.524	32%	0.324	S	S	.	.	H	α-helix	trans	-68.8	-24.9	179.9	-63.8	-35.4	0	0	0	111.3	G514 G515 V519 R520 A521	G514-D517 PolarHBondContact O-N 3.32Å; G515-D517 VanDerWaalsContact C-N 3.33Å; G515-D517 PolarHBondContact O-N 3.15Å; D517-V519 PolarHBondContact O-N 3.42Å; D517-R520 PolarHBondContact O-N 3.5Å; D517-A521 PolarHBondContact O-N 3.48Å; D517-A521 VanDerWaalsContact O-N 3.12Å
518	A	97	Very high	94.5	Very high	15 Å²	15	53.7 Å²	53.7	12%	0.124	33%	0.325	C	S	.	.	H	α-helix	trans	-60.5	-26.2	172.7	0	0	0	0	0	112.7	L507 V513 G515 E516 H522	L507-A518 HydrophobicContact CD1-CB 4.07Å; V513-A518 HydrophobicContact CG2-CB 4.34Å; V513-A518 WeakPolarHBondContact O-CB 3.39Å; G515-A518 VanDerWaalsContact O-CB 3.28Å; G515-A518 WeakPolarHBondContact O-CB 3.27Å; G515-A518 PolarHBondContact O-N 2.96Å; E516-A518 PolarHBondContact O-N 3.49Å; A518-H522 PolarHBondContact O-N 2.99Å
519	V	98	Very high	94.6	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-66.6	-52.2	175.6	-179.6	0	0	0	0	109.9	T375 W447 F498 L507 E516 D517 A521 H522 F525	T375-V519 HydrophobicContact CG2-CB 4.44Å; T375-V519 HydrophobicContact CG2-CG1 3.67Å; W447-V519 HydrophobicContact CD2-CG2 4.3Å; W447-V519 HydrophobicContact CE3-CG2 4.14Å; W447-V519 HydrophobicContact CH2-CB 4.48Å; W447-V519 HydrophobicContact CH2-CG1 4.43Å; W447-V519 HydrophobicContact CH2-CG2 4.1Å; W447-V519 HydrophobicContact CZ2-CG2 4.24Å; W447-V519 HydrophobicContact CZ3-CB 4.47Å; W447-V519 HydrophobicContact CZ3-CG1 4.03Å; W447-V519 HydrophobicContact CZ3-CG2 4.04Å; F498-V519 HydrophobicContact CE1-CG1 4.12Å; F498-V519 HydrophobicContact CE1-CG2 3.94Å; F498-V519 HydrophobicContact CZ-CG1 3.59Å; F498-V519 HydrophobicContact CZ-CG2 4.27Å; L507-V519 HydrophobicContact CG-CG2 4.18Å; E516-V519 VanDerWaalsContact O-CB 3.3Å; E516-V519 WeakPolarHBondContact O-CB 3.46Å; E516-V519 WeakPolarHBondContact O-CG2 3.35Å; E516-V519 PolarHBondContact O-N 3.01Å; E516-V519 VanDerWaalsContact O-N 3.09Å; D517-V519 PolarHBondContact O-N 3.42Å; V519-A521 PolarHBondContact O-N 3.08Å; V519-H522 WeakPolarHBondContact O-CB 3.45Å; V519-H522 PolarHBondContact O-N 2.96Å; V519-H522 VanDerWaalsContact O-N 3.16Å; V519-F525 HydrophobicContact CG1-CE2 4.07Å; V519-F525 WeakPolarHBondContact O-CD2 3.36Å
520	R	97.7	Very high	94.8	Very high	47 Å²	47	57.3 Å²	57.3	18%	0.177	34%	0.339	C	S	.	.	H	α-helix	trans	-62.7	-33.9	-179.9	-65.8	-165.7	179.7	-157.5	-3.2	112.4	D517 H522 W530 E534	D517-R520 PolarHBondContact O-N 3.5Å; R520-H522 VanDerWaalsContact C-N 3.32Å; R520-W530 HydrophobicContact CB-CD2 4.32Å; R520-W530 HydrophobicContact CB-CH2 4.47Å; R520-W530 HydrophobicContact CB-CZ2 3.77Å; R520-W530 HydrophobicContact CG-CD2 3.88Å; R520-W530 HydrophobicContact CG-CE3 4.1Å; R520-W530 HydrophobicContact CG-CH2 3.86Å; R520-W530 HydrophobicContact CG-CZ2 3.63Å; R520-W530 HydrophobicContact CG-CZ3 4.07Å; R520-E534 IonicContact CZ-OE1 2.86Å; R520-E534 IonicContact NH1-OE1 3.57Å; R520-E534 PolarHBondContact NH1-OE1 2.99Å; R520-E534 VanDerWaalsContact NH1-OE1 3.12Å; R520-E534 IonicContact NH2-OE1 2.65Å; R520-E534 PolarHBondContact NH2-OE1 3.31Å
521	A	97.2	Very high	95.1	Very high	82 Å²	82	63.7 Å²	63.7	68%	0.678	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-7.7	179.6	0	0	0	0	0	114.2	D517 V519	D517-A521 PolarHBondContact O-N 3.48Å; D517-A521 VanDerWaalsContact O-N 3.12Å; V519-A521 PolarHBondContact O-N 3.08Å
522	H	98.2	Very high	95.7	Very high	21 Å²	21	61 Å²	61	10%	0.097	34%	0.342	C	S	.	.	S	Bend	trans	-63.8	138.3	-177.8	-172.2	-82.9	0	0	0	111	S493 I494 A518 V519 R520 F524 F525	S493-H522 PolarHBondContact OG-NE2 2.97Å; S493-H522 VanDerWaalsContact OG-NE2 3.07Å; I494-H522 VanDerWaalsContact CB-CE1 3.42Å; I494-H522 WeakPolarHBondContact CB-CE1 3.21Å; I494-H522 HydrophobicContact CD1-CB 4.2Å; I494-H522 PolarHBondContact N-CE1 3.44Å; A518-H522 PolarHBondContact O-N 2.99Å; V519-H522 WeakPolarHBondContact O-CB 3.45Å; V519-H522 PolarHBondContact O-N 2.96Å; V519-H522 VanDerWaalsContact O-N 3.16Å; R520-H522 VanDerWaalsContact C-N 3.32Å; H522-F524 VanDerWaalsContact ND1-CB 3.34Å; H522-F524 WeakPolarHBondContact ND1-CB 3.27Å; H522-F524 PolarHBondContact ND1-N 3.38Å; H522-F524 VanDerWaalsContact ND1-N 3.15Å; H522-F524 PolarHBondContact O-N 3.47Å; H522-F525 PolarHBondContact O-N 3.05Å
523	P	98.2	Very high	96.2	Very high	75 Å²	75	54.6 Å²	54.6	49%	0.487	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-52.7	-27.2	-177.1	-31.2	36.1	0	0	0	116	E490 F525 K526	E490-P523 HydrophobicContact CG-CB 4.25Å; P523-F525 PolarHBondContact O-N 3.26Å; P523-K526 VanDerWaalsContact O-CB 3.3Å; P523-K526 WeakPolarHBondContact O-CB 3.04Å; P523-K526 WeakPolarHBondContact O-CG 3.43Å; P523-K526 PolarHBondContact O-N 3.35Å
524	F	98.7	Very high	96.7	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.009	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-58.8	-31.3	173.9	-175.6	-98.2	0	0	0	113.3	E364 R368 M454 M458 E490 A491 I494 H522	E364-F524 HydrophobicContact CG-CE2 3.62Å; E364-F524 HydrophobicContact CG-CZ 4.06Å; R368-F524 HydrophobicContact CB-CE1 3.74Å; R368-F524 HydrophobicContact CB-CZ 3.88Å; R368-F524 WeakPolarHBondContact CD-O 3.42Å; R368-F524 HydrophobicContact CG-CD1 4.18Å; R368-F524 HydrophobicContact CG-CE1 3.81Å; R368-F524 HydrophobicContact CG-CZ 4.33Å; R368-F524 PolarHBondContact NE-O 3.4Å; M454-F524 HydrophobicContact CE-CD1 3.81Å; M454-F524 HydrophobicContact CE-CE1 3.36Å; M454-F524 HydrophobicContact CE-CZ 3.83Å; M458-F524 HydrophobicContact CE-CZ 4.34Å; M458-F524 HydrophobicContact SD-CE2 4.04Å; M458-F524 HydrophobicContact SD-CZ 4Å; E490-F524 HydrophobicContact CB-CB 4.42Å; E490-F524 HydrophobicContact CB-CD2 4.35Å; A491-F524 HydrophobicContact CB-CD2 4.21Å; A491-F524 HydrophobicContact CB-CE2 3.91Å; I494-F524 HydrophobicContact CB-CB 4.02Å; I494-F524 HydrophobicContact CB-CG 4.32Å; I494-F524 HydrophobicContact CD1-CB 3.82Å; I494-F524 HydrophobicContact CD1-CD1 3.86Å; I494-F524 HydrophobicContact CD1-CG 4.1Å; I494-F524 HydrophobicContact CG2-CB 3.95Å; I494-F524 HydrophobicContact CG2-CD1 4.11Å; I494-F524 HydrophobicContact CG2-CD2 3.91Å; I494-F524 HydrophobicContact CG2-CE2 4.43Å; I494-F524 HydrophobicContact CG2-CG 3.72Å; H522-F524 VanDerWaalsContact ND1-CB 3.34Å; H522-F524 WeakPolarHBondContact ND1-CB 3.27Å; H522-F524 PolarHBondContact ND1-N 3.38Å; H522-F524 VanDerWaalsContact ND1-N 3.15Å; H522-F524 PolarHBondContact O-N 3.47Å
525	F	98.5	Very high	97	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.009	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-100.1	13.9	178.5	-65.2	-59.8	0	0	0	113.6	R368 A372 I494 V519 H522 P523 E527 I528 W530	R368-F525 HydrophobicContact CG-CD1 3.85Å; R368-F525 HydrophobicContact CG-CE1 4.18Å; A372-F525 HydrophobicContact CB-CD1 4.07Å; A372-F525 HydrophobicContact CB-CE1 3.9Å; I494-F525 HydrophobicContact CD1-CD2 3.88Å; I494-F525 HydrophobicContact CD1-CE2 3.43Å; I494-F525 VanDerWaalsContact CD1-CE2 3.43Å; I494-F525 HydrophobicContact CD1-CZ 4.09Å; V519-F525 HydrophobicContact CG1-CE2 4.07Å; V519-F525 WeakPolarHBondContact O-CD2 3.36Å; H522-F525 PolarHBondContact O-N 3.05Å; P523-F525 PolarHBondContact O-N 3.26Å; F525-E527 PolarHBondContact O-N 3.37Å; F525-I528 HydrophobicContact CB-CB 4.46Å; F525-I528 HydrophobicContact CB-CG1 4.18Å; F525-I528 HydrophobicContact CD1-CG1 3.95Å; F525-I528 WeakPolarHBondContact O-CB 3.39Å; F525-I528 PolarHBondContact O-N 2.87Å; F525-W530 HydrophobicContact CB-CZ2 3.97Å; F525-W530 HydrophobicContact CD1-CZ2 4.4Å; F525-W530 HydrophobicContact CD2-CZ2 4.17Å; F525-W530 HydrophobicContact CG-CH2 4.48Å; F525-W530 AromaticContact CG-CZ2 3.95Å; F525-W530 HydrophobicContact CG-CZ2 3.95Å
526	K	97.2	Very high	97.3	Very high	151 Å²	151	56.5 Å²	56.5	66%	0.657	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-26.7	-177.1	74	-172.9	-178.2	-178.5	0	114.6	P523	P523-K526 VanDerWaalsContact O-CB 3.3Å; P523-K526 WeakPolarHBondContact O-CB 3.04Å; P523-K526 WeakPolarHBondContact O-CG 3.43Å; P523-K526 PolarHBondContact O-N 3.35Å
527	E	95.4	Very high	97.4	Very high	125 Å²	125	62.4 Å²	62.4	58%	0.584	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-4.7	-178.3	-67.1	169.2	-171	0	0	113.1	R368 F525	R368-E527 IonicContact CZ-OE2 3.21Å; R368-E527 IonicContact NH1-OE2 3.06Å; R368-E527 PolarHBondContact NH1-OE2 2.66Å; F525-E527 PolarHBondContact O-N 3.37Å
528	I	97.9	Very high	97.4	Very high	29 Å²	29	60 Å²	60	15%	0.149	31%	0.313	C	S	.	.			trans	-89.6	114.8	-176.3	-57.9	-57.3	0	0	0	110.1	R368 A372 F525 W530 L533	R368-I528 HydrophobicContact CG-CD1 4.14Å; R368-I528 HydrophobicContact CG-CG1 4.25Å; A372-I528 HydrophobicContact CB-CD1 4.27Å; A372-I528 HydrophobicContact CB-CG1 4.07Å; A372-I528 HydrophobicContact CB-CG2 4.04Å; F525-I528 HydrophobicContact CB-CB 4.46Å; F525-I528 HydrophobicContact CB-CG1 4.18Å; F525-I528 HydrophobicContact CD1-CG1 3.95Å; F525-I528 WeakPolarHBondContact O-CB 3.39Å; F525-I528 PolarHBondContact O-N 2.87Å; I528-W530 HydrophobicContact CG2-CD2 3.94Å; I528-W530 HydrophobicContact CG2-CE3 4.44Å; I528-W530 HydrophobicContact CG2-CG 4.16Å; I528-W530 HydrophobicContact CG2-CZ2 4.28Å; I528-W530 PolarHBondContact O-N 3.39Å; I528-L533 HydrophobicContact CG2-CD2 3.99Å
529	D	97.8	Very high	97.3	Very high	83 Å²	83	68.3 Å²	68.3	44%	0.444	35%	0.347	S	S	.	.			trans	-80.2	103.4	158.8	176.2	-8.1	0	0	0	108.8	E531 S532 L533	D529-E531 VanDerWaalsContact C-N 3.34Å; D529-E531 PolarHBondContact O-N 2.92Å; D529-E531 PolarHBondContact OD1-N 2.8Å; D529-S532 VanDerWaalsContact CG-CB 3.46Å; D529-S532 PolarHBondContact O-N 3Å; D529-S532 PolarHBondContact OD1-N 3.15Å; D529-S532 VanDerWaalsContact OD2-CB 3.22Å; D529-S532 WeakPolarHBondContact OD2-CB 3.35Å; D529-S532 PolarHBondContact OD2-OG 2.71Å; D529-L533 VanDerWaalsContact O-CB 3.27Å; D529-L533 WeakPolarHBondContact O-CB 3.42Å; D529-L533 PolarHBondContact O-N 3.36Å
530	W	98	Very high	97.3	Very high	31 Å²	31	68.8 Å²	68.8	12%	0.117	35%	0.351	C	S	.	.	H	α-helix	trans	-66	-33.2	-176.6	-66.7	89.8	0	0	0	113.4	A372 T375 R520 F525 I528 L533 E534	A372-W530 HydrophobicContact CB-CH2 3.94Å; A372-W530 HydrophobicContact CB-CZ3 4.16Å; A372-W530 VanDerWaalsContact O-CZ3 3.27Å; A372-W530 WeakPolarHBondContact O-CZ3 3.46Å; T375-W530 HydrophobicContact CG2-CH2 3.7Å; T375-W530 HydrophobicContact CG2-CZ3 3.94Å; R520-W530 HydrophobicContact CB-CD2 4.32Å; R520-W530 HydrophobicContact CB-CH2 4.47Å; R520-W530 HydrophobicContact CB-CZ2 3.77Å; R520-W530 HydrophobicContact CG-CD2 3.88Å; R520-W530 HydrophobicContact CG-CE3 4.1Å; R520-W530 HydrophobicContact CG-CH2 3.86Å; R520-W530 HydrophobicContact CG-CZ2 3.63Å; R520-W530 HydrophobicContact CG-CZ3 4.07Å; F525-W530 HydrophobicContact CB-CZ2 3.97Å; F525-W530 HydrophobicContact CD1-CZ2 4.4Å; F525-W530 HydrophobicContact CD2-CZ2 4.17Å; F525-W530 HydrophobicContact CG-CH2 4.48Å; F525-W530 AromaticContact CG-CZ2 3.95Å; F525-W530 HydrophobicContact CG-CZ2 3.95Å; I528-W530 HydrophobicContact CG2-CD2 3.94Å; I528-W530 HydrophobicContact CG2-CE3 4.44Å; I528-W530 HydrophobicContact CG2-CG 4.16Å; I528-W530 HydrophobicContact CG2-CZ2 4.28Å; I528-W530 PolarHBondContact O-N 3.39Å; W530-L533 HydrophobicContact CE3-CD2 4.3Å; W530-L533 HydrophobicContact CZ3-CD2 4.47Å; W530-L533 PolarHBondContact O-N 3.3Å; W530-E534 WeakPolarHBondContact O-CB 3.26Å; W530-E534 WeakPolarHBondContact O-CG 3.28Å; W530-E534 PolarHBondContact O-N 2.61Å
531	E	97.7	Very high	97.1	Very high	164 Å²	164	69.8 Å²	69.8	77%	0.766	36%	0.363	S	S	*	.	H	α-helix	trans	-71.4	-45.1	179.2	-65.8	-176.1	-177.9	0	0	110.3	D529 L533 E534 A535	D529-E531 VanDerWaalsContact C-N 3.34Å; D529-E531 PolarHBondContact O-N 2.92Å; D529-E531 PolarHBondContact OD1-N 2.8Å; E531-L533 VanDerWaalsContact C-N 3.3Å; E531-L533 PolarHBondContact O-N 3.22Å; E531-E534 PolarHBondContact O-N 3.18Å; E531-A535 VanDerWaalsContact O-CB 3.28Å; E531-A535 WeakPolarHBondContact O-CB 3.35Å; E531-A535 PolarHBondContact O-N 3.41Å
532	S	98	Very high	96.9	Very high	33 Å²	33	68.5 Å²	68.5	23%	0.231	34%	0.343	C	S	.	.	H	α-helix	trans	-65.6	-34.8	174.5	-69.4	0	0	0	0	112.2	D529 K536 K537	D529-S532 VanDerWaalsContact CG-CB 3.46Å; D529-S532 PolarHBondContact O-N 3Å; D529-S532 PolarHBondContact OD1-N 3.15Å; D529-S532 VanDerWaalsContact OD2-CB 3.22Å; D529-S532 WeakPolarHBondContact OD2-CB 3.35Å; D529-S532 PolarHBondContact OD2-OG 2.71Å; S532-K536 PolarHBondContact O-N 3.07Å; S532-K537 WeakPolarHBondContact O-CB 3.27Å; S532-K537 PolarHBondContact O-N 2.96Å
533	L	98	Very high	96.6	Very high	0 Å²	0	72.6 Å²	72.6	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-63	-54.6	175.1	-171.1	75.9	0	0	0	110.3	F326 F369 A372 E373 I528 D529 W530 E531 A535 K536 V538	F326-L533 HydrophobicContact CE2-CD2 4.49Å; F326-L533 HydrophobicContact CE2-CG 4.19Å; F326-L533 HydrophobicContact CZ-CG 4.08Å; F326-L533 VanDerWaalsContact CZ-O 3.24Å; F326-L533 WeakPolarHBondContact CZ-O 3.34Å; F369-L533 HydrophobicContact CD2-CD1 4.17Å; F369-L533 HydrophobicContact CE2-CD1 3.79Å; F369-L533 HydrophobicContact CZ-CD1 4.38Å; A372-L533 HydrophobicContact CB-CD2 3.61Å; E373-L533 HydrophobicContact CG-CD1 3.8Å; E373-L533 HydrophobicContact CG-CD2 4.07Å; E373-L533 HydrophobicContact CG-CG 4.03Å; I528-L533 HydrophobicContact CG2-CD2 3.99Å; D529-L533 VanDerWaalsContact O-CB 3.27Å; D529-L533 WeakPolarHBondContact O-CB 3.42Å; D529-L533 PolarHBondContact O-N 3.36Å; W530-L533 HydrophobicContact CE3-CD2 4.3Å; W530-L533 HydrophobicContact CZ3-CD2 4.47Å; W530-L533 PolarHBondContact O-N 3.3Å; E531-L533 VanDerWaalsContact C-N 3.3Å; E531-L533 PolarHBondContact O-N 3.22Å; L533-A535 PolarHBondContact O-N 3.4Å; L533-K536 WeakPolarHBondContact O-CA 3.27Å; L533-K536 PolarHBondContact O-N 3.32Å; L533-V538 HydrophobicContact CB-CG2 4.35Å; L533-V538 HydrophobicContact CD1-CB 4.27Å; L533-V538 HydrophobicContact CD1-CG2 4.4Å
534	E	97.3	Very high	96.1	Very high	67 Å²	67	69.2 Å²	69.2	31%	0.313	34%	0.338	S	S	.	.	H	α-helix	trans	-62.9	-28.6	179.4	-72.7	173.8	-175.1	0	0	112.4	P325 F326 S376 R520 W530 E531 K536	P325-E534 WeakPolarHBondContact CG-O 3.49Å; F326-E534 HydrophobicContact CE2-CG 4.48Å; S376-E534 VanDerWaalsContact OG-CG 3.26Å; S376-E534 WeakPolarHBondContact OG-CG 3.41Å; S376-E534 PolarHBondContact OG-OE1 3.47Å; R520-E534 IonicContact CZ-OE1 2.86Å; R520-E534 IonicContact NH1-OE1 3.57Å; R520-E534 PolarHBondContact NH1-OE1 2.99Å; R520-E534 VanDerWaalsContact NH1-OE1 3.12Å; R520-E534 IonicContact NH2-OE1 2.65Å; R520-E534 PolarHBondContact NH2-OE1 3.31Å; W530-E534 WeakPolarHBondContact O-CB 3.26Å; W530-E534 WeakPolarHBondContact O-CG 3.28Å; W530-E534 PolarHBondContact O-N 2.61Å; E531-E534 PolarHBondContact O-N 3.18Å; E534-K536 PolarHBondContact O-N 3.47Å
535	A	97.1	Very high	95.5	Very high	54 Å²	54	77.9 Å²	77.9	45%	0.446	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	4	171.5	0	0	0	0	0	114.4	E531 L533 K537	E531-A535 VanDerWaalsContact O-CB 3.28Å; E531-A535 WeakPolarHBondContact O-CB 3.35Å; E531-A535 PolarHBondContact O-N 3.41Å; L533-A535 PolarHBondContact O-N 3.4Å; A535-K537 HydrophobicContact CB-CD 4.03Å; A535-K537 HydrophobicContact CB-CG 3.95Å; A535-K537 PolarHBondContact O-N 2.98Å
536	K	96.2	Very high	94.5	Very high	67 Å²	67	79 Å²	79	29%	0.291	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	33.2	-172.5	-66	-168.3	171.7	-168.7	0	113.9	P325 F326 D399 S532 L533 E534	P325-K536 HydrophobicContact CB-CD 4.45Å; P325-K536 HydrophobicContact CB-CG 4.22Å; P325-K536 WeakPolarHBondContact O-CE 3.4Å; F326-K536 HydrophobicContact CE1-CG 4.12Å; D399-K536 IonicContact OD2-NZ 2.68Å; D399-K536 PolarHBondContact OD2-NZ 3.47Å; S532-K536 PolarHBondContact O-N 3.07Å; L533-K536 WeakPolarHBondContact O-CA 3.27Å; L533-K536 PolarHBondContact O-N 3.32Å; E534-K536 PolarHBondContact O-N 3.47Å
537	K	96.6	Very high	93.2	Very high	165 Å²	165	75.5 Å²	75.5	72%	0.717	37%	0.373	S	S	*	.			trans	-88.5	-19.3	177.2	-66.7	178.1	-178.8	172.7	0	112.8	S532 A535	S532-K537 WeakPolarHBondContact O-CB 3.27Å; S532-K537 PolarHBondContact O-N 2.96Å; A535-K537 HydrophobicContact CB-CD 4.03Å; A535-K537 HydrophobicContact CB-CG 3.95Å; A535-K537 PolarHBondContact O-N 2.98Å
538	V	95.5	Very high	91.3	Very high	47 Å²	47	71.7 Å²	71.7	29%	0.285	36%	0.36	S	S	.	.	S	Bend	trans	-79.3	122.8	175.4	-175.1	0	0	0	0	109	F369 H403 L533 A540	F369-V538 HydrophobicContact CD2-CG1 4.15Å; F369-V538 HydrophobicContact CE2-CB 4.19Å; F369-V538 HydrophobicContact CE2-CG1 3.77Å; H403-V538 PolarHBondContact CE1-O 2.03Å; L533-V538 HydrophobicContact CB-CG2 4.35Å; L533-V538 HydrophobicContact CD1-CB 4.27Å; L533-V538 HydrophobicContact CD1-CG2 4.4Å; V538-A540 PolarHBondContact O-N 3.36Å
539	K	95.1	Very high	89.2	Confident	190 Å²	190	78.8 Å²	78.8	83%	0.826	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-66.3	126.2	179.5	-177.3	-178.7	177.1	-176.4	0	111
540	A	96	Very high	86.8	Confident	10 Å²	10	77.7 Å²	77.7	8%	0.083	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-61.4	141.4	176.1	0	0	0	0	0	112.4	F369 D401 G402 V538 F542	F369-A540 HydrophobicContact CE1-CB 3.89Å; F369-A540 HydrophobicContact CZ-CB 3.85Å; D401-A540 WeakPolarHBondContact O-CB 3.4Å; G402-A540 WeakPolarHBondContact O-CB 3.24Å; V538-A540 PolarHBondContact O-N 3.36Å; A540-F542 PolarHBondContact O-N 3.34Å
541	P	94.7	Very high	84.3	Confident	68 Å²	68	82.2 Å²	82.2	44%	0.442	40%	0.398	S	S	.	.	S	Bend	trans	-69.9	-19.2	-177.2	28.6	-36.5	0	0	0	113.2	R366 F369	R366-P541 HydrophobicContact CB-CB 4.28Å; R366-P541 HydrophobicContact CB-CG 4.17Å; R366-P541 HydrophobicContact CG-CB 4.32Å; R366-P541 HydrophobicContact CG-CG 3.87Å; F369-P541 HydrophobicContact CB-CG 4.04Å; F369-P541 HydrophobicContact CD1-CG 3.83Å; F369-P541 VanDerWaalsContact CG-CD 3.46Å; F369-P541 HydrophobicContact CG-CG 3.98Å
542	F	92.5	Very high	82.2	Confident	55 Å²	55	80.8 Å²	80.8	24%	0.241	40%	0.4	C	S	.	.			trans	-139.2	127.7	178.9	169.3	-95.1	0	0	0	109.8	Q355 L398 G402 A540 P544	Q355-F542 HydrophobicContact CG-CE1 4.13Å; L398-F542 HydrophobicContact CD1-CD1 4.02Å; L398-F542 HydrophobicContact CD1-CE1 4.17Å; G402-F542 WeakPolarHBondContact CA-O 3.47Å; A540-F542 PolarHBondContact O-N 3.34Å; F542-P544 HydrophobicContact CD1-CG 4.42Å; F542-P544 HydrophobicContact CE1-CB 4.32Å; F542-P544 HydrophobicContact CE1-CG 3.99Å
543	K	91.4	Very high	79.7	Confident	106 Å²	106	80.8 Å²	80.8	46%	0.461	40%	0.399	S	S	.	.			trans	-105.8	119.6	175	-170.8	165.4	-170.8	140.1	0	109.9	A400 D401	A400-K543 VanDerWaalsContact O-CE 3.29Å; A400-K543 WeakPolarHBondContact O-CE 3.44Å; D401-K543 IonicContact OD1-NZ 3.43Å; D401-K543 PolarHBondContact OD1-NZ 2.86Å
544	P	88.9	Confident	77.4	Confident	5 Å²	5	86.3 Å²	86.3	3%	0.032	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-57.7	139.6	177.2	-25.1	34.4	0	0	0	112.1	L398 F542 L546	L398-P544 HydrophobicContact CB-CG 4.04Å; L398-P544 HydrophobicContact CD1-CG 4.19Å; F542-P544 HydrophobicContact CD1-CG 4.42Å; F542-P544 HydrophobicContact CE1-CB 4.32Å; F542-P544 HydrophobicContact CE1-CG 3.99Å; P544-L546 PolarHBondContact O-N 3.19Å
545	K	84.7	Confident	75.5	Confident	183 Å²	183	88.3 Å²	88.3	80%	0.796	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-78.3	116.8	173	-65.7	-176.9	-178.7	-178.4	0	107.9	N575	K545-N575 PolarHBondContact O-ND2 3.38Å; K545-N575 VanDerWaalsContact O-ND2 3.14Å
546	L	78.9	Confident	73.5	Confident	25 Å²	25	97.2 Å²	97.2	13%	0.131	49%	0.485	C	S	.	.	P	Polyproline II helix	trans	-103.5	129.3	171.6	-62.1	175.2	0	0	0	108.5	A400 P544 S548 K568 D572	A400-L546 HydrophobicContact CB-CD1 3.7Å; P544-L546 PolarHBondContact O-N 3.19Å; L546-S548 PolarHBondContact O-N 3.26Å; L546-K568 HydrophobicContact CB-CD 4.31Å; L546-K568 HydrophobicContact CB-CG 4.4Å; L546-K568 HydrophobicContact CD1-CD 4.09Å; L546-D572 VanDerWaalsContact CA-OD2 3.28Å; L546-D572 WeakPolarHBondContact CA-OD2 3.44Å
547	V	69.7	Low	71.5	Confident	78 Å²	78	103.7 Å²	103.7	47%	0.473	51%	0.508	S	S	.	.			trans	-71.2	114.3	176.8	-174.7	0	0	0	0	108.3	S569 D572 A574	V547-S569 WeakPolarHBondContact O-CB 3.49Å; V547-S569 PolarHBondContact O-N 3.39Å; V547-D572 PolarHBondContact N-OD2 3.05Å; V547-A574 HydrophobicContact CG2-CB 4Å
548	S	55.8	Low	69.7	Low	46 Å²	46	104.4 Å²	104.4	32%	0.322	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	133.1	168.1	-60.7	0	0	0	0	109.7	L546 Q567	L546-S548 PolarHBondContact O-N 3.26Å; S548-Q567 VanDerWaalsContact CA-O 3.28Å; S548-Q567 WeakPolarHBondContact CA-O 3.35Å; S548-Q567 WeakPolarHBondContact CB-O 3.35Å
549	R	54.2	Low	67.8	Low	177 Å²	177	104.9 Å²	104.9	67%	0.668	52%	0.52	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.9	146.4	167.9	-77.3	-176.1	167.8	161.3	-3.6	108.4	Q567	R549-Q567 PolarHBondContact N-O 3.38Å
550	H	46.7	Very low	66	Low	61 Å²	61	99.8 Å²	99.8	28%	0.282	51%	0.506	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	139.6	169.9	-63.1	-51.5	0	0	0	109.4	V552 C561 D562 F564 L566	H550-V552 PolarHBondContact O-N 3.5Å; H550-C561 HydrophobicContact CB-CB 4.2Å; H550-C561 VanDerWaalsContact CG-O 3.24Å; H550-C561 PolarHBondContact ND1-O 3.16Å; H550-D562 IonicContact NE2-OD1 2.68Å; H550-F564 PolarHBondContact ND1-O 3.28Å; H550-L566 VanDerWaalsContact CE1-CD2 3.45Å; H550-L566 WeakPolarHBondContact CE1-CD2 3.15Å
551	K	46.2	Very low	64.1	Low	126 Å²	126	102.7 Å²	102.7	55%	0.548	53%	0.525	S	S	.	.	P	Polyproline II helix	trans	-57.9	123.8	164.8	-81.2	-166.8	-180	-172.2	0	107.3	P553	K551-P553 WeakPolarHBondContact O-CD 3.42Å
552	V	53	Low	62.4	Low	134 Å²	134	105.5 Å²	105.5	81%	0.812	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-61.7	121	164.9	-177.7	0	0	0	0	105.9	H550	H550-V552 PolarHBondContact O-N 3.5Å
553	P	45.3	Very low	60.7	Low	32 Å²	32	111.3 Å²	111.3	21%	0.208	56%	0.562	C	S	.	*	P	Polyproline II helix	trans	-58.5	145.7	178.3	16.6	-25.8	0	0	0	110.3	K551 A555 F564	K551-P553 WeakPolarHBondContact O-CD 3.42Å; P553-A555 PolarHBondContact O-N 2.96Å; P553-F564 HydrophobicContact CB-CE1 4.39Å; P553-F564 HydrophobicContact CB-CE2 3.85Å; P553-F564 HydrophobicContact CB-CZ 3.59Å; P553-F564 HydrophobicContact CG-CE2 3.84Å; P553-F564 HydrophobicContact CG-CZ 4.12Å
554	P	50.2	Low	58.8	Low	117 Å²	117	108.8 Å²	108.8	76%	0.76	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-52.8	135.7	163.5	23.6	-30.8	0	0	0	107.4	R556	P554-R556 PolarHBondContact O-N 3.48Å
555	A	57.9	Low	56.9	Low	109 Å²	109	113.7 Å²	113.7	90%	0.901	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	28.2	-158.9	0	0	0	0	0	117.6	P553	P553-A555 PolarHBondContact O-N 2.96Å
556	R	54.8	Low	55	Low	240 Å²	240	110.1 Å²	110.1	91%	0.906	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.1	7.9	-174.9	-66.6	-171.4	176.7	-171.4	-0.6	115.3	P554	P554-R556 PolarHBondContact O-N 3.48Å
557	R	53.7	Low	53.7	Low	203 Å²	203	112.8 Å²	112.8	77%	0.766	58%	0.584	S	S	*	*			trans	-135.5	121.7	168.2	-74	-173.7	174.5	159.5	-1.5	112	V559	R557-V559 VanDerWaalsContact C-N 3.32Å; R557-V559 HydrophobicContact CB-CG2 3.96Å; R557-V559 PolarHBondContact O-N 3.13Å; R557-V559 VanDerWaalsContact O-N 3.1Å
558	I	57.6	Low	53.3	Low	181 Å²	181	113.4 Å²	113.4	93%	0.928	58%	0.581	S	S	*	*			trans	-76.7	88.1	166.4	-57.1	171.6	0	0	0	106.4
559	V	55.9	Low	54	Low	57 Å²	57	112.4 Å²	112.4	35%	0.345	57%	0.573	S	S	.	*			trans	-122.2	135.6	166.5	-98	0	0	0	0	107.2	R557 C561 F564	R557-V559 VanDerWaalsContact C-N 3.32Å; R557-V559 HydrophobicContact CB-CG2 3.96Å; R557-V559 PolarHBondContact O-N 3.13Å; R557-V559 VanDerWaalsContact O-N 3.1Å; V559-C561 PolarHBondContact O-N 3.1Å; V559-F564 HydrophobicContact CB-CE2 4.16Å; V559-F564 HydrophobicContact CB-CZ 4.47Å; V559-F564 HydrophobicContact CG2-CE2 3.46Å; V559-F564 VanDerWaalsContact CG2-CE2 3.46Å; V559-F564 HydrophobicContact CG2-CZ 3.42Å; V559-F564 VanDerWaalsContact CG2-CZ 3.42Å
560	P	57.3	Low	55.1	Low	82 Å²	82	109.7 Å²	109.7	53%	0.532	56%	0.563	S	S	.	*			trans	-51.8	138.7	175.7	-24.8	33.5	0	0	0	110.6	D562 F563	P560-D562 PolarHBondContact O-N 2.86Å; P560-F563 PolarHBondContact O-N 2.95Å
561	C	56.6	Low	56.9	Low	71 Å²	71	110.3 Å²	110.3	48%	0.48	57%	0.565	S	S	.	*	G	3₁₀ helix	trans	-56.9	-26.2	-177.7	43	0	0	0	0	113.2	H550 V559 F563 F564	H550-C561 HydrophobicContact CB-CB 4.2Å; H550-C561 VanDerWaalsContact CG-O 3.24Å; H550-C561 PolarHBondContact ND1-O 3.16Å; V559-C561 PolarHBondContact O-N 3.1Å; C561-F563 PolarHBondContact O-N 3.33Å; C561-F564 PolarHBondContact O-N 3.19Å
562	D	60.1	Low	58.8	Low	128 Å²	128	105.1 Å²	105.1	68%	0.684	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-65.4	-18	178.8	-52.5	-23.1	0	0	0	113.8	H550 P560	H550-D562 IonicContact NE2-OD1 2.68Å; P560-D562 PolarHBondContact O-N 2.86Å
563	F	56.6	Low	60.5	Low	176 Å²	176	99.5 Å²	99.5	77%	0.772	51%	0.509	S	S	*	.	G	3₁₀ helix	trans	-83.3	-11.4	178.1	-111.9	-94.3	0	0	0	113.7	P560 C561	P560-F563 PolarHBondContact O-N 2.95Å; C561-F563 PolarHBondContact O-N 3.33Å
564	F	51.7	Low	62.4	Low	54 Å²	54	100.5 Å²	100.5	24%	0.237	52%	0.52	C	S	.	.	S	Bend	trans	-92.1	132.7	176.2	-68.4	-81.2	0	0	0	110.6	H550 P553 V559 C561 L566	H550-F564 PolarHBondContact ND1-O 3.28Å; P553-F564 HydrophobicContact CB-CE1 4.39Å; P553-F564 HydrophobicContact CB-CE2 3.85Å; P553-F564 HydrophobicContact CB-CZ 3.59Å; P553-F564 HydrophobicContact CG-CE2 3.84Å; P553-F564 HydrophobicContact CG-CZ 4.12Å; V559-F564 HydrophobicContact CB-CE2 4.16Å; V559-F564 HydrophobicContact CB-CZ 4.47Å; V559-F564 HydrophobicContact CG2-CE2 3.46Å; V559-F564 VanDerWaalsContact CG2-CE2 3.46Å; V559-F564 HydrophobicContact CG2-CZ 3.42Å; V559-F564 VanDerWaalsContact CG2-CZ 3.42Å; C561-F564 PolarHBondContact O-N 3.19Å; F564-L566 PolarHBondContact O-N 3.2Å
565	P	48.1	Very low	64.2	Low	108 Å²	108	95.6 Å²	95.6	70%	0.701	49%	0.487	S	S	*	.			trans	-55.1	130.9	176.2	20.1	-29.2	0	0	0	110.1	Q567	P565-Q567 PolarHBondContact O-N 2.94Å
566	L	45	Very low	65.6	Low	108 Å²	108	91.8 Å²	91.8	57%	0.565	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.3	107.4	172.5	-80.7	162.9	0	0	0	108.7	H550 F564	H550-L566 VanDerWaalsContact CE1-CD2 3.45Å; H550-L566 WeakPolarHBondContact CE1-CD2 3.15Å; F564-L566 PolarHBondContact O-N 3.2Å
567	Q	51.4	Low	67	Low	80 Å²	80	82.3 Å²	82.3	37%	0.374	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	136.6	169.3	-165.1	173.2	1.5	0	0	108.4	S548 R549 P565 S569	S548-Q567 VanDerWaalsContact CA-O 3.28Å; S548-Q567 WeakPolarHBondContact CA-O 3.35Å; S548-Q567 WeakPolarHBondContact CB-O 3.35Å; R549-Q567 PolarHBondContact N-O 3.38Å; P565-Q567 PolarHBondContact O-N 2.94Å; Q567-S569 PolarHBondContact O-N 2.66Å; Q567-S569 VanDerWaalsContact O-N 3.1Å
568	K	60.3	Low	68.5	Low	92 Å²	92	75 Å²	75	40%	0.4	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.2	121.4	168.2	-71.8	-179.6	176.6	-177.9	0	107.9	L546 R570	L546-K568 HydrophobicContact CB-CD 4.31Å; L546-K568 HydrophobicContact CB-CG 4.4Å; L546-K568 HydrophobicContact CD1-CD 4.09Å; K568-R570 PolarHBondContact O-N 3.11Å
569	S	70.9	Confident	69.9	Low	24 Å²	24	71.9 Å²	71.9	17%	0.168	38%	0.383	C	S	.	.			trans	-63.7	112.9	179	169.2	0	0	0	0	108.2	V547 Q567 K571 D572	V547-S569 WeakPolarHBondContact O-CB 3.49Å; V547-S569 PolarHBondContact O-N 3.39Å; Q567-S569 PolarHBondContact O-N 2.66Å; Q567-S569 VanDerWaalsContact O-N 3.1Å; S569-K571 PolarHBondContact O-N 2.99Å; S569-K571 PolarHBondContact OG-N 3.17Å; S569-D572 VanDerWaalsContact O-CB 3.25Å; S569-D572 WeakPolarHBondContact O-CB 3.4Å; S569-D572 PolarHBondContact O-N 3Å; S569-D572 PolarHBondContact OG-N 2.89Å
570	R	78.1	Confident	71.4	Confident	121 Å²	121	71.5 Å²	71.5	46%	0.457	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-18.5	174.9	-73.5	-176	166.9	141.3	-4.5	112.9	I291 F346 K568 D617	I291-R570 HydrophobicContact CG1-CB 4.06Å; F346-R570 WeakPolarHBondContact CE1-O 3.5Å; K568-R570 PolarHBondContact O-N 3.11Å; R570-D617 IonicContact CZ-OD2 3.93Å; R570-D617 VanDerWaalsContact CZ-OD2 3.32Å; R570-D617 IonicContact NE-OD2 2.87Å; R570-D617 PolarHBondContact NE-OD2 2.72Å; R570-D617 IonicContact NH2-OD2 3.73Å; R570-D617 PolarHBondContact NH2-OD2 3.36Å
571	K	85.3	Confident	73	Confident	74 Å²	74	68.4 Å²	68.4	32%	0.322	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	13.6	178	-60.4	171.8	-177.3	177.6	0	112.9	I269 L282 E284 I291 S569 V573	I269-K571 HydrophobicContact CD1-CD 3.86Å; I269-K571 HydrophobicContact CD1-CG 4.2Å; L282-K571 HydrophobicContact CD2-CB 4.23Å; E284-K571 VanDerWaalsContact OE1-CE 3.31Å; E284-K571 WeakPolarHBondContact OE1-CE 3.37Å; E284-K571 IonicContact OE1-NZ 3.35Å; E284-K571 PolarHBondContact OE1-NZ 3.19Å; E284-K571 IonicContact OE2-NZ 3.12Å; E284-K571 PolarHBondContact OE2-NZ 3.36Å; I291-K571 HydrophobicContact CD1-CD 4.19Å; I291-K571 VanDerWaalsContact CD1-CE 3.43Å; I291-K571 HydrophobicContact CD1-CG 3.67Å; I291-K571 HydrophobicContact CG1-CG 4.15Å; S569-K571 PolarHBondContact O-N 2.99Å; S569-K571 PolarHBondContact OG-N 3.17Å; K571-V573 PolarHBondContact O-N 3.25Å
572	D	86	Confident	74.7	Confident	16 Å²	16	72.4 Å²	72.4	9%	0.086	37%	0.366	C	S	.	.			trans	-67	131.8	-179.2	-173.6	23.4	0	0	0	111.4	F346 L546 V547 S569 A574	F346-D572 WeakPolarHBondContact CZ-O 3.19Å; L546-D572 VanDerWaalsContact CA-OD2 3.28Å; L546-D572 WeakPolarHBondContact CA-OD2 3.44Å; V547-D572 PolarHBondContact N-OD2 3.05Å; S569-D572 VanDerWaalsContact O-CB 3.25Å; S569-D572 WeakPolarHBondContact O-CB 3.4Å; S569-D572 PolarHBondContact O-N 3Å; S569-D572 PolarHBondContact OG-N 2.89Å; D572-A574 WeakPolarHBondContact OD1-CB 3.49Å; D572-A574 PolarHBondContact OD1-N 3.1Å
573	V	87.6	Confident	76.1	Confident	16 Å²	16	68.8 Å²	68.8	10%	0.097	35%	0.345	C	S	.	.			trans	-125	14.8	-180	-62.6	0	0	0	0	112.1	K270 L272 L282 K571 N575 F576 T581	K270-V573 HydrophobicContact CD-CB 4.31Å; K270-V573 HydrophobicContact CD-CG1 4.01Å; K270-V573 HydrophobicContact CD-CG2 3.46Å; K270-V573 VanDerWaalsContact CD-CG2 3.46Å; L272-V573 HydrophobicContact CD2-CB 4.49Å; L272-V573 HydrophobicContact CD2-CG1 3.67Å; L282-V573 HydrophobicContact CD2-CG1 3.8Å; K571-V573 PolarHBondContact O-N 3.25Å; V573-N575 PolarHBondContact O-N 3.19Å; V573-N575 VanDerWaalsContact O-N 3.11Å; V573-F576 HydrophobicContact CB-CB 4.46Å; V573-F576 HydrophobicContact CB-CD2 4.02Å; V573-F576 HydrophobicContact CG1-CD2 4.4Å; V573-F576 WeakPolarHBondContact O-CB 3.11Å; V573-F576 PolarHBondContact O-N 3.15Å; V573-T581 HydrophobicContact CB-CG2 3.89Å; V573-T581 HydrophobicContact CG2-CG2 3.91Å
574	A	86.6	Confident	77.8	Confident	54 Å²	54	65.6 Å²	65.6	45%	0.446	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-20.4	-177	0	0	0	0	0	114.2	V547 D572	V547-A574 HydrophobicContact CG2-CB 4Å; D572-A574 WeakPolarHBondContact OD1-CB 3.49Å; D572-A574 PolarHBondContact OD1-N 3.1Å
575	N	86.7	Confident	79.7	Confident	13 Å²	13	64.3 Å²	64.3	7%	0.07	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	5.3	176.3	-59.3	-56.9	0	0	0	113.5	S348 G349 G350 F354 K545 V573	S348-N575 PolarHBondContact O-ND2 3.07Å; G349-N575 WeakPolarHBondContact O-CB 3.26Å; G350-N575 WeakPolarHBondContact CA-O 3.43Å; F354-N575 HydrophobicContact CE1-CB 4.46Å; K545-N575 PolarHBondContact O-ND2 3.38Å; K545-N575 VanDerWaalsContact O-ND2 3.14Å; V573-N575 PolarHBondContact O-N 3.19Å; V573-N575 VanDerWaalsContact O-N 3.11Å
576	F	86.8	Confident	81.7	Confident	30 Å²	30	66 Å²	66	13%	0.132	33%	0.33	C	S	.	.	S	Bend	trans	-103.7	160.8	177.6	-67.5	-100.4	0	0	0	110.9	L272 F346 V347 V573 S578 T581	L272-F576 HydrophobicContact CB-CD1 4.11Å; L272-F576 HydrophobicContact CB-CE1 4.19Å; L272-F576 HydrophobicContact CD1-CE1 4.32Å; L272-F576 HydrophobicContact CD2-CD1 3.83Å; L272-F576 HydrophobicContact CD2-CD2 4.31Å; L272-F576 HydrophobicContact CD2-CE1 3.92Å; L272-F576 HydrophobicContact CD2-CE2 4.39Å; L272-F576 HydrophobicContact CD2-CG 4.02Å; L272-F576 HydrophobicContact CD2-CZ 4.19Å; L272-F576 HydrophobicContact CG-CD1 4.47Å; L272-F576 HydrophobicContact CG-CE1 4.37Å; F346-F576 HydrophobicContact CD2-CZ 4.42Å; F346-F576 HydrophobicContact CE2-CE1 4.34Å; F346-F576 AromaticContact CE2-CE2 3.72Å; F346-F576 HydrophobicContact CE2-CE2 3.72Å; F346-F576 AromaticContact CE2-CZ 3.43Å; F346-F576 HydrophobicContact CE2-CZ 3.43Å; F346-F576 VanDerWaalsContact CE2-CZ 3.43Å; F346-F576 AromaticContact CZ-CE2 3.71Å; F346-F576 HydrophobicContact CZ-CE2 3.71Å; F346-F576 AromaticContact CZ-CZ 3.91Å; F346-F576 HydrophobicContact CZ-CZ 3.91Å; V347-F576 VanDerWaalsContact O-CZ 3.31Å; V347-F576 WeakPolarHBondContact O-CZ 3.42Å; V573-F576 HydrophobicContact CB-CB 4.46Å; V573-F576 HydrophobicContact CB-CD2 4.02Å; V573-F576 HydrophobicContact CG1-CD2 4.4Å; V573-F576 WeakPolarHBondContact O-CB 3.11Å; V573-F576 PolarHBondContact O-N 3.15Å; F576-S578 PolarHBondContact O-N 3.39Å; F576-T581 HydrophobicContact CB-CG2 3.79Å
577	D	83.9	Confident	83.9	Confident	40 Å²	40	63 Å²	63	21%	0.214	31%	0.314	C	S	.	.			trans	-59.2	129.9	178.7	-155.9	-45	0	0	0	111.4	R24 D579 F580 T581	R24-D577 IonicContact CZ-OD2 3.86Å; R24-D577 IonicContact NE-OD2 2.7Å; R24-D577 IonicContact NH2-OD2 2.74Å; R24-D577 PolarHBondContact NH2-OD2 3.5Å; D577-D579 PolarHBondContact O-N 2.95Å; D577-D579 WeakPolarHBondContact OD1-CB 3.36Å; D577-D579 PolarHBondContact OD1-N 3.47Å; D577-F580 HydrophobicContact CB-CD2 3.49Å; D577-F580 VanDerWaalsContact CB-CD2 3.49Å; D577-F580 HydrophobicContact CB-CE2 3.82Å; D577-F580 HydrophobicContact CB-CG 4.34Å; D577-F580 PolarHBondContact O-N 3.17Å; D577-T581 WeakPolarHBondContact O-CG2 3.4Å; D577-T581 PolarHBondContact O-N 3.01Å; D577-T581 VanDerWaalsContact O-N 3.1Å; D577-T581 PolarHBondContact O-OG1 3.36Å; D577-T581 VanDerWaalsContact O-OG1 3.14Å
578	S	86.4	Confident	85.7	Confident	50 Å²	50	61.5 Å²	61.5	35%	0.35	31%	0.312	S	S	.	.	H	α-helix	trans	-66.9	-27.2	-179.7	94.6	0	0	0	0	111.8	F576 F580 T581 K582	F576-S578 PolarHBondContact O-N 3.39Å; S578-F580 VanDerWaalsContact C-N 3.29Å; S578-F580 PolarHBondContact O-N 3.47Å; S578-T581 WeakPolarHBondContact CA-OG1 3.29Å; S578-K582 WeakPolarHBondContact O-CB 3.47Å; S578-K582 WeakPolarHBondContact O-CD 3.35Å; S578-K582 WeakPolarHBondContact O-CG 3.28Å; S578-K582 PolarHBondContact O-N 3.25Å; S578-K582 PolarHBondContact OG-NZ 2.81Å
579	D	85.7	Confident	87.1	Confident	116 Å²	116	63 Å²	63	62%	0.62	33%	0.331	S	S	*	.	H	α-helix	trans	-69.4	-31.5	-178.1	-68.7	-5.3	0	0	0	111.3	D577	D577-D579 PolarHBondContact O-N 2.95Å; D577-D579 WeakPolarHBondContact OD1-CB 3.36Å; D577-D579 PolarHBondContact OD1-N 3.47Å
580	F	89.2	Confident	87.9	Confident	49 Å²	49	62.8 Å²	62.8	22%	0.215	33%	0.329	C	S	.	.	H	α-helix	trans	-82.2	-47.8	172.9	-55	-45.1	0	0	0	111.4	V271 K274 D577 S578 K582 E583	V271-F580 WeakPolarHBondContact CB-O 3.41Å; V271-F580 HydrophobicContact CG1-CB 4.28Å; V271-F580 CarbonylContact O-C 3.54Å; V271-F580 VanDerWaalsContact O-C 3.28Å; K274-F580 HydrophobicContact CB-CE1 4.36Å; K274-F580 HydrophobicContact CG-CD1 4.3Å; K274-F580 HydrophobicContact CG-CE1 4.35Å; D577-F580 HydrophobicContact CB-CD2 3.49Å; D577-F580 VanDerWaalsContact CB-CD2 3.49Å; D577-F580 HydrophobicContact CB-CE2 3.82Å; D577-F580 HydrophobicContact CB-CG 4.34Å; D577-F580 PolarHBondContact O-N 3.17Å; S578-F580 VanDerWaalsContact C-N 3.29Å; S578-F580 PolarHBondContact O-N 3.47Å; F580-K582 PolarHBondContact O-N 2.91Å; F580-K582 VanDerWaalsContact O-N 3.11Å; F580-E583 WeakPolarHBondContact O-CB 3.34Å; F580-E583 PolarHBondContact O-N 3.41Å
581	T	90.4	Very high	88.4	Confident	16 Å²	16	61.2 Å²	61.2	10%	0.098	33%	0.33	C	S	.	.	H	α-helix	trans	-70.4	-12.3	-171.3	58.6	0	0	0	0	115.1	K270 V271 V573 F576 D577 S578	K270-T581 PolarHBondContact NZ-O 3.39Å; V271-T581 VanDerWaalsContact O-CA 3.28Å; V271-T581 WeakPolarHBondContact O-CA 3.48Å; V271-T581 PolarHBondContact O-N 3.43Å; V573-T581 HydrophobicContact CB-CG2 3.89Å; V573-T581 HydrophobicContact CG2-CG2 3.91Å; F576-T581 HydrophobicContact CB-CG2 3.79Å; D577-T581 WeakPolarHBondContact O-CG2 3.4Å; D577-T581 PolarHBondContact O-N 3.01Å; D577-T581 VanDerWaalsContact O-N 3.1Å; D577-T581 PolarHBondContact O-OG1 3.36Å; D577-T581 VanDerWaalsContact O-OG1 3.14Å; S578-T581 WeakPolarHBondContact CA-OG1 3.29Å
582	K	91.4	Very high	88.7	Confident	155 Å²	155	61.9 Å²	61.9	67%	0.674	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-16.6	171.5	-73.2	169	-174.4	155.6	0	113.6	S578 F580	S578-K582 WeakPolarHBondContact O-CB 3.47Å; S578-K582 WeakPolarHBondContact O-CD 3.35Å; S578-K582 WeakPolarHBondContact O-CG 3.28Å; S578-K582 PolarHBondContact O-N 3.25Å; S578-K582 PolarHBondContact OG-NZ 2.81Å; F580-K582 PolarHBondContact O-N 2.91Å; F580-K582 VanDerWaalsContact O-N 3.11Å
583	E	90.8	Very high	88.8	Confident	53 Å²	53	66.5 Å²	66.5	25%	0.248	37%	0.365	C	S	.	.	S	Bend	trans	-74.7	144.6	178.5	-174.2	178.1	155.9	0	0	111.4	V271 K274 K279 F580	V271-E583 HydrophobicContact CB-CB 4.41Å; V271-E583 HydrophobicContact CG2-CB 4.14Å; V271-E583 HydrophobicContact CG2-CG 4.22Å; K274-E583 VanDerWaalsContact CE-CD 3.48Å; K274-E583 VanDerWaalsContact CE-OE1 3.29Å; K274-E583 WeakPolarHBondContact CE-OE1 3.25Å; K274-E583 WeakPolarHBondContact CE-OE2 3.49Å; K274-E583 IonicContact NZ-OE1 3.42Å; K274-E583 PolarHBondContact NZ-OE1 3.47Å; K274-E583 IonicContact NZ-OE2 3.65Å; K274-E583 PolarHBondContact NZ-OE2 3.16Å; K279-E583 WeakPolarHBondContact CE-OE1 3.42Å; K279-E583 IonicContact NZ-OE1 2.83Å; K279-E583 PolarHBondContact NZ-OE1 3.36Å; F580-E583 WeakPolarHBondContact O-CB 3.34Å; F580-E583 PolarHBondContact O-N 3.41Å
584	D	91.2	Very high	88.8	Confident	108 Å²	108	67 Å²	67	58%	0.578	37%	0.369	S	S	*	.			trans	-62.1	136.3	173.7	-66.9	-42.1	0	0	0	111.2	F586	D584-F586 HydrophobicContact CB-CD2 3.47Å; D584-F586 VanDerWaalsContact CB-CD2 3.47Å; D584-F586 HydrophobicContact CB-CE2 3.61Å; D584-F586 HydrophobicContact CB-CG 4.44Å; D584-F586 PolarHBondContact O-N 3.44Å
585	P	92.1	Very high	89	Confident	28 Å²	28	65 Å²	65	18%	0.182	35%	0.35	C	S	.	.			trans	-78.2	42.3	-174.9	35.6	-39.2	0	0	0	113	F268 L281	F268-P585 HydrophobicContact CB-CB 3.98Å; F268-P585 WeakPolarHBondContact O-CG 3.27Å; L281-P585 HydrophobicContact CD2-CB 3.95Å
586	F	90.5	Very high	89.1	Confident	143 Å²	143	74.1 Å²	74.1	63%	0.627	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-92.6	139.1	176.9	-59.3	-56.1	0	0	0	111.9	K279 D584	K279-F586 PolarHBondContact NZ-O 3.01Å; D584-F586 HydrophobicContact CB-CD2 3.47Å; D584-F586 VanDerWaalsContact CB-CD2 3.47Å; D584-F586 HydrophobicContact CB-CE2 3.61Å; D584-F586 HydrophobicContact CB-CG 4.44Å; D584-F586 PolarHBondContact O-N 3.44Å
587	L	91.5	Very high	89.1	Confident	46 Å²	46	79.6 Å²	79.6	24%	0.241	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-69.9	136.2	165.6	-60.3	177.6	0	0	0	108.9	F268 L281 A296 Y339 F341	F268-L587 HydrophobicContact CE2-CD1 4.02Å; F268-L587 HydrophobicContact CE2-CD2 4.33Å; F268-L587 HydrophobicContact CE2-CG 4.02Å; L281-L587 HydrophobicContact CD1-CD2 3.79Å; A296-L587 HydrophobicContact CB-CD2 3.57Å; Y339-L587 HydrophobicContact CD2-CD1 4.36Å; Y339-L587 HydrophobicContact CE2-CB 4.25Å; Y339-L587 HydrophobicContact CE2-CD1 4.45Å; F341-L587 HydrophobicContact CE1-CD1 3.76Å; F341-L587 HydrophobicContact CE1-CD2 4.29Å; F341-L587 HydrophobicContact CZ-CD1 3.63Å
588	S	89.3	Confident	89.4	Confident	48 Å²	48	78.4 Å²	78.4	34%	0.336	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-67.6	134	176.7	-60.5	0	0	0	0	109.8	Y339	Y339-S588 PolarHBondContact OH-N 3.01Å; Y339-S588 PolarHBondContact OH-O 2.9Å
589	P	88.3	Confident	89.5	Confident	123 Å²	123	79.5 Å²	79.5	80%	0.799	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-60.8	150.9	175.6	25	-32.8	0	0	0	111.1
590	V	88.9	Confident	89.8	Confident	20 Å²	20	77.2 Å²	77.2	12%	0.121	40%	0.395	C	S	.	.			trans	-112.9	137.3	170.3	-177.1	0	0	0	0	106.9	K298 E338 Y339 V594 V595	K298-V590 HydrophobicContact CD-CG2 4.21Å; K298-V590 HydrophobicContact CG-CG2 4.32Å; E338-V590 HydrophobicContact CB-CB 4.24Å; E338-V590 HydrophobicContact CB-CG2 4.07Å; E338-V590 HydrophobicContact CG-CB 4.41Å; Y339-V590 HydrophobicContact CE2-CG2 4.1Å; V590-V594 HydrophobicContact CG1-CB 4.29Å; V590-V594 HydrophobicContact CG1-CG1 4.15Å; V590-V595 HydrophobicContact CB-CG2 4.05Å; V590-V595 HydrophobicContact CG1-CG2 3.77Å
591	D	88	Confident	90	Very high	88 Å²	88	80.7 Å²	80.7	47%	0.471	42%	0.416	S	S	.	.			trans	-58.5	125.9	179.8	-175.6	-35.3	0	0	0	109.9	L593 V594 V595	D591-L593 PolarHBondContact O-N 3.32Å; D591-L593 VanDerWaalsContact O-N 3.11Å; D591-L593 WeakPolarHBondContact OD1-CB 3.48Å; D591-L593 PolarHBondContact OD1-N 2.96Å; D591-V594 HydrophobicContact CB-CB 4.24Å; D591-V594 HydrophobicContact CB-CG2 3.92Å; D591-V594 WeakPolarHBondContact O-CB 3.27Å; D591-V594 WeakPolarHBondContact O-CA 3.26Å; D591-V594 PolarHBondContact O-N 2.95Å; D591-V595 WeakPolarHBondContact O-CG2 3.38Å; D591-V595 PolarHBondContact O-N 2.75Å
592	P	90.8	Very high	90	Very high	87 Å²	87	84.4 Å²	84.4	57%	0.565	43%	0.432	S	S	*	.	H	α-helix	trans	-54.1	-30.5	178.6	-27.2	35.1	0	0	0	114.6	V595 R596	P592-V595 PolarHBondContact O-N 3.1Å; P592-R596 WeakPolarHBondContact O-CG 3.44Å; P592-R596 PolarHBondContact O-N 3.15Å; P592-R596 VanDerWaalsContact O-N 3.14Å
593	L	88.2	Confident	90.2	Very high	113 Å²	113	77 Å²	77	59%	0.592	40%	0.4	S	S	*	.	H	α-helix	trans	-67.7	-38	174.4	-66.6	177.1	0	0	0	111.6	D591 L597	D591-L593 PolarHBondContact O-N 3.32Å; D591-L593 VanDerWaalsContact O-N 3.11Å; D591-L593 WeakPolarHBondContact OD1-CB 3.48Å; D591-L593 PolarHBondContact OD1-N 2.96Å; L593-L597 WeakPolarHBondContact O-CG 3.41Å
594	V	88.8	Confident	90.2	Very high	27 Å²	27	80.6 Å²	80.6	16%	0.164	42%	0.417	C	S	.	.	H	α-helix	trans	-66.2	-44.8	174.4	174.4	0	0	0	0	109.7	L61 D300 V590 D591 R596 L597 I598	L61-V594 HydrophobicContact CD1-CG2 3.87Å; D300-V594 HydrophobicContact CB-CG1 3.44Å; D300-V594 VanDerWaalsContact CB-CG1 3.44Å; V590-V594 HydrophobicContact CG1-CB 4.29Å; V590-V594 HydrophobicContact CG1-CG1 4.15Å; D591-V594 HydrophobicContact CB-CB 4.24Å; D591-V594 HydrophobicContact CB-CG2 3.92Å; D591-V594 WeakPolarHBondContact O-CB 3.27Å; D591-V594 WeakPolarHBondContact O-CA 3.26Å; D591-V594 PolarHBondContact O-N 2.95Å; V594-R596 VanDerWaalsContact C-N 3.3Å; V594-R596 PolarHBondContact O-N 3.15Å; V594-L597 WeakPolarHBondContact O-CB 3.24Å; V594-L597 PolarHBondContact O-N 2.86Å; V594-I598 PolarHBondContact O-N 2.63Å; V594-I598 WeakPolarHBondContact O-CG1 3.48Å
595	V	89.5	Confident	90.2	Very high	11 Å²	11	81.1 Å²	81.1	7%	0.067	42%	0.42	C	S	.	.	H	α-helix	trans	-56.2	-43.4	179.1	-179.1	0	0	0	0	111.9	E337 E338 V590 D591 P592 L597 I598	E337-V595 HydrophobicContact CB-CG1 3.71Å; E338-V595 HydrophobicContact CB-CG2 4.28Å; E338-V595 HydrophobicContact CG-CB 4.44Å; E338-V595 HydrophobicContact CG-CG1 4.02Å; E338-V595 HydrophobicContact CG-CG2 3.49Å; E338-V595 VanDerWaalsContact CG-CG2 3.49Å; V590-V595 HydrophobicContact CB-CG2 4.05Å; V590-V595 HydrophobicContact CG1-CG2 3.77Å; D591-V595 WeakPolarHBondContact O-CG2 3.38Å; D591-V595 PolarHBondContact O-N 2.75Å; P592-V595 PolarHBondContact O-N 3.1Å; V595-L597 PolarHBondContact O-N 2.92Å; V595-I598 WeakPolarHBondContact O-CB 3.49Å; V595-I598 PolarHBondContact O-N 3.05Å; V595-I598 VanDerWaalsContact O-N 3.13Å
596	R	89.1	Confident	90.4	Very high	206 Å²	206	79.8 Å²	79.8	78%	0.777	41%	0.411	S	S	*	.	H	α-helix	trans	-64	-21	177.5	-71.7	174.5	-175.8	-175.5	2.1	114.3	P592 V594	P592-R596 WeakPolarHBondContact O-CG 3.44Å; P592-R596 PolarHBondContact O-N 3.15Å; P592-R596 VanDerWaalsContact O-N 3.14Å; V594-R596 VanDerWaalsContact C-N 3.3Å; V594-R596 PolarHBondContact O-N 3.15Å
597	L	87.6	Confident	90.6	Very high	145 Å²	145	75.5 Å²	75.5	76%	0.759	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-6.1	178.8	-64.1	171.8	0	0	0	112.8	L593 V594 V595 N599	L593-L597 WeakPolarHBondContact O-CG 3.41Å; V594-L597 WeakPolarHBondContact O-CB 3.24Å; V594-L597 PolarHBondContact O-N 2.86Å; V595-L597 PolarHBondContact O-N 2.92Å; L597-N599 PolarHBondContact O-N 3.49Å
598	I	89.2	Confident	90.7	Very high	14 Å²	14	75.6 Å²	75.6	7%	0.072	40%	0.395	C	S	.	.			trans	-73.3	117.6	178	-64.1	174.8	0	0	0	108.6	K299 D300 L303 V594 V595 Q600 F603	K299-I598 HydrophobicContact CB-CD1 3.9Å; K299-I598 HydrophobicContact CB-CG2 4.07Å; K299-I598 HydrophobicContact CD-CG2 4.2Å; D300-I598 HydrophobicContact CB-CD1 4.18Å; D300-I598 HydrophobicContact CB-CG1 4.46Å; L303-I598 HydrophobicContact CD1-CB 4.3Å; L303-I598 HydrophobicContact CD1-CG1 4.4Å; L303-I598 HydrophobicContact CD1-CG2 3.75Å; V594-I598 PolarHBondContact O-N 2.63Å; V594-I598 WeakPolarHBondContact O-CG1 3.48Å; V595-I598 WeakPolarHBondContact O-CB 3.49Å; V595-I598 PolarHBondContact O-N 3.05Å; V595-I598 VanDerWaalsContact O-N 3.13Å; I598-Q600 VanDerWaalsContact CG2-NE2 3.32Å; I598-Q600 PolarHBondContact O-N 3.04Å; I598-Q600 VanDerWaalsContact O-N 3.08Å; I598-F603 HydrophobicContact CG2-CE2 4.29Å
599	N	88.9	Confident	91	Very high	74 Å²	74	75.4 Å²	75.4	40%	0.396	39%	0.392	S	S	.	.			trans	-68.6	103.9	168.3	-176.5	13.1	0	0	0	109.4	L597 D601 E602	L597-N599 PolarHBondContact O-N 3.49Å; N599-D601 VanDerWaalsContact C-N 3.25Å; N599-D601 PolarHBondContact O-N 3.41Å; N599-D601 PolarHBondContact OD1-N 2.9Å; N599-E602 HydrophobicContact CB-CG 4.02Å; N599-E602 PolarHBondContact ND2-OE1 3.19Å
600	Q	92.9	Very high	91.4	Very high	68 Å²	68	69.9 Å²	69.9	32%	0.318	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-70.3	-23.1	-176.4	-62.1	-63.4	-30.2	0	0	112.7	E337 I598 E602 F603	E337-Q600 PolarHBondContact O-NE2 3.47Å; I598-Q600 VanDerWaalsContact CG2-NE2 3.32Å; I598-Q600 PolarHBondContact O-N 3.04Å; I598-Q600 VanDerWaalsContact O-N 3.08Å; Q600-E602 PolarHBondContact O-N 2.84Å; Q600-F603 PolarHBondContact O-N 2.92Å
601	D	92.8	Very high	91.6	Very high	122 Å²	122	72.6 Å²	72.6	65%	0.652	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-65.3	-26.4	-178.3	-65.1	-23.1	0	0	0	112.3	N599 F603 Q604	N599-D601 VanDerWaalsContact C-N 3.25Å; N599-D601 PolarHBondContact O-N 3.41Å; N599-D601 PolarHBondContact OD1-N 2.9Å; D601-F603 PolarHBondContact O-N 2.99Å; D601-F603 VanDerWaalsContact O-N 3.15Å; D601-Q604 VanDerWaalsContact O-CB 3.29Å; D601-Q604 WeakPolarHBondContact O-CB 3.3Å; D601-Q604 PolarHBondContact O-N 3.03Å; D601-Q604 VanDerWaalsContact O-N 3.1Å
602	E	90.6	Very high	91.8	Very high	93 Å²	93	71.5 Å²	71.5	44%	0.435	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-58.5	-26.1	173.9	-63	-69	168.8	0	0	112.4	L303 V308 N599 Q600	L303-E602 HydrophobicContact CD2-CB 4.18Å; L303-E602 HydrophobicContact CD2-CG 3.9Å; V308-E602 HydrophobicContact CG1-CB 4.18Å; V308-E602 VanDerWaalsContact CG1-O 3.29Å; V308-E602 WeakPolarHBondContact CG1-O 3.22Å; V308-E602 HydrophobicContact CG2-CB 4.32Å; N599-E602 HydrophobicContact CB-CG 4.02Å; N599-E602 PolarHBondContact ND2-OE1 3.19Å; Q600-E602 PolarHBondContact O-N 2.84Å
603	F	94.7	Very high	91.9	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-109.3	19.4	-178	-53.6	-71	0	0	0	112.5	K299 I302 L303 V308 Q335 L340 I598 Q600 D601 N605 F606	K299-F603 HydrophobicContact CB-CE2 3.92Å; K299-F603 HydrophobicContact CB-CZ 4.19Å; K299-F603 HydrophobicContact CD-CD2 3.9Å; K299-F603 HydrophobicContact CD-CE2 4.01Å; K299-F603 HydrophobicContact CG-CD2 4.07Å; K299-F603 HydrophobicContact CG-CE2 3.78Å; K299-F603 HydrophobicContact CG-CZ 4.08Å; I302-F603 HydrophobicContact CB-CZ 4.38Å; I302-F603 HydrophobicContact CG2-CE1 4.02Å; I302-F603 HydrophobicContact CG2-CZ 4.14Å; L303-F603 HydrophobicContact CD1-CE2 4.14Å; L303-F603 HydrophobicContact CD2-CE2 4.21Å; L303-F603 HydrophobicContact CD2-CZ 4.13Å; L303-F603 HydrophobicContact CG-CE2 4.06Å; L303-F603 HydrophobicContact CG-CZ 3.98Å; V308-F603 HydrophobicContact CB-CE1 4.49Å; V308-F603 HydrophobicContact CG1-CD1 4.35Å; V308-F603 HydrophobicContact CG1-CE1 4.12Å; V308-F603 HydrophobicContact CG2-CE1 4Å; V308-F603 HydrophobicContact CG2-CZ 4.02Å; Q335-F603 PolarHBondContact NE2-O 3.36Å; L340-F603 HydrophobicContact CD1-CD1 3.6Å; L340-F603 HydrophobicContact CD1-CE1 3.74Å; L340-F603 HydrophobicContact CD1-CG 4.43Å; L340-F603 HydrophobicContact CD2-CB 4.17Å; L340-F603 HydrophobicContact CD2-CD1 4.11Å; L340-F603 HydrophobicContact CD2-CG 4.15Å; L340-F603 HydrophobicContact CG-CD1 4.33Å; I598-F603 HydrophobicContact CG2-CE2 4.29Å; Q600-F603 PolarHBondContact O-N 2.92Å; D601-F603 PolarHBondContact O-N 2.99Å; D601-F603 VanDerWaalsContact O-N 3.15Å; F603-N605 PolarHBondContact O-N 3.34Å; F603-F606 WeakPolarHBondContact O-CB 3.5Å; F603-F606 PolarHBondContact O-N 2.65Å; F603-F606 VanDerWaalsContact O-N 3.15Å
604	Q	91.6	Very high	91.7	Very high	128 Å²	128	69.2 Å²	69.2	60%	0.598	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	139.6	172.9	-164.2	-178.1	16.8	0	0	109.6	M312 D601 F606	M312-Q604 WeakPolarHBondContact CE-O 3.41Å; D601-Q604 VanDerWaalsContact O-CB 3.29Å; D601-Q604 WeakPolarHBondContact O-CB 3.3Å; D601-Q604 PolarHBondContact O-N 3.03Å; D601-Q604 VanDerWaalsContact O-N 3.1Å; Q604-F606 PolarHBondContact O-N 3.23Å
605	N	91.8	Very high	90.8	Very high	120 Å²	120	71 Å²	71	64%	0.642	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.9	16.1	-178.2	-43.2	-53	0	0	0	114.9	K315 F603	K315-N605 PolarHBondContact NZ-O 3.21Å; F603-N605 PolarHBondContact O-N 3.34Å
606	F	95.5	Very high	89.4	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	40%	0.401	C	S	.	.			trans	-66.7	-44.8	172.3	-174.9	-92	0	0	0	112.1	T311 M312 K315 C333 F334 Q335 L340 F342 F603 Q604 F608	T311-F606 HydrophobicContact CG2-CE2 4.13Å; M312-F606 HydrophobicContact SD-CD2 3.95Å; K315-F606 HydrophobicContact CD-CD2 4.43Å; K315-F606 WeakPolarHBondContact CE-O 3.43Å; K315-F606 PolarHBondContact NZ-O 3.29Å; C333-F606 HydrophobicContact CB-CD1 4.33Å; C333-F606 HydrophobicContact CB-CE1 3.67Å; C333-F606 HydrophobicContact CB-CZ 3.95Å; C333-F606 PolarHBondContact SG-O 3.22Å; F334-F606 VanDerWaalsContact O-CE1 3.25Å; F334-F606 WeakPolarHBondContact O-CE1 3.43Å; Q335-F606 HydrophobicContact CB-CD1 4.18Å; L340-F606 HydrophobicContact CB-CD1 4.37Å; L340-F606 HydrophobicContact CB-CE1 3.8Å; L340-F606 HydrophobicContact CB-CE2 4.11Å; L340-F606 HydrophobicContact CB-CZ 3.67Å; L340-F606 HydrophobicContact CD1-CD2 4Å; L340-F606 HydrophobicContact CD1-CE2 3.87Å; L340-F606 HydrophobicContact CD1-CZ 4.3Å; L340-F606 HydrophobicContact CD2-CB 4.31Å; L340-F606 HydrophobicContact CD2-CD1 3.77Å; L340-F606 HydrophobicContact CD2-CD2 4.1Å; L340-F606 HydrophobicContact CD2-CE1 4.09Å; L340-F606 HydrophobicContact CD2-CE2 4.4Å; L340-F606 HydrophobicContact CD2-CG 3.79Å; L340-F606 HydrophobicContact CD2-CZ 4.41Å; L340-F606 HydrophobicContact CG-CD2 4.49Å; L340-F606 HydrophobicContact CG-CE1 4.43Å; L340-F606 HydrophobicContact CG-CE2 4.37Å; L340-F606 HydrophobicContact CG-CZ 4.35Å; F342-F606 HydrophobicContact CD1-CZ 4.1Å; F342-F606 HydrophobicContact CD2-CZ 4.24Å; F342-F606 AromaticContact CE1-CE2 3.78Å; F342-F606 HydrophobicContact CE1-CE2 3.78Å; F342-F606 AromaticContact CE1-CZ 3.67Å; F342-F606 HydrophobicContact CE1-CZ 3.67Å; F342-F606 HydrophobicContact CE2-CE2 4.01Å; F342-F606 AromaticContact CE2-CZ 3.85Å; F342-F606 HydrophobicContact CE2-CZ 3.85Å; F342-F606 HydrophobicContact CG-CZ 4.37Å; F342-F606 AromaticContact CZ-CE2 3.43Å; F342-F606 HydrophobicContact CZ-CE2 3.43Å; F342-F606 VanDerWaalsContact CZ-CE2 3.43Å; F342-F606 AromaticContact CZ-CZ 3.57Å; F342-F606 HydrophobicContact CZ-CZ 3.57Å; F603-F606 WeakPolarHBondContact O-CB 3.5Å; F603-F606 PolarHBondContact O-N 2.65Å; F603-F606 VanDerWaalsContact O-N 3.15Å; Q604-F606 PolarHBondContact O-N 3.23Å; F606-F608 PolarHBondContact O-N 3.05Å
607	T	95.9	Very high	87.2	Confident	53 Å²	53	69.9 Å²	69.9	33%	0.325	39%	0.394	S	S	.	.			trans	-64	128.7	-178.8	-55.8	0	0	0	0	112.3	C333 F334	C333-T607 CarbonylContact O-C 3.55Å; C333-T607 VanDerWaalsContact O-CA 3.29Å; C333-T607 WeakPolarHBondContact O-CA 3.45Å; F334-T607 HydrophobicContact CB-CG2 4.25Å
608	F	92.5	Very high	84.5	Confident	47 Å²	47	77.2 Å²	77.2	21%	0.206	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.5	148.4	-175.3	163.6	-99.6	0	0	0	112.1	K315 T319 S332 C333 F606 N610	K315-F608 VanDerWaalsContact NZ-CB 3.29Å; T319-F608 HydrophobicContact CG2-CE1 3.7Å; T319-F608 HydrophobicContact CG2-CZ 3.89Å; S332-F608 CarbonylContact C-O 3.55Å; S332-F608 VanDerWaalsContact CA-O 3.3Å; S332-F608 WeakPolarHBondContact CA-O 3.33Å; S332-F608 WeakPolarHBondContact CB-O 3.2Å; C333-F608 PolarHBondContact N-O 3.06Å; C333-F608 PolarHBondContact O-N 3.29Å; F606-F608 PolarHBondContact O-N 3.05Å; F608-N610 VanDerWaalsContact CE1-CA 3.46Å; F608-N610 HydrophobicContact CE1-CB 3.8Å; F608-N610 HydrophobicContact CZ-CB 4.35Å
609	T	96.1	Very high	84.3	Confident	44 Å²	44	80.4 Å²	80.4	27%	0.27	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	127.9	172.2	-60.1	0	0	0	0	109.3	V259 F261 P611	V259-T609 PolarHBondContact O-OG1 3.46Å; F261-T609 HydrophobicContact CE2-CG2 4.32Å; T609-P611 WeakPolarHBondContact O-CD 3.45Å
610	N	95.4	Very high	84.1	Confident	7 Å²	7	80.7 Å²	80.7	4%	0.037	43%	0.43	C	S	.	.			trans	-80.6	114.1	-172.7	-172.4	4.3	0	0	0	111.5	T319 L330 H331 F608 D612 Y613	T319-N610 PolarHBondContact O-ND2 2.85Å; L330-N610 WeakPolarHBondContact O-CB 3.25Å; L330-N610 PolarHBondContact O-ND2 2.87Å; H331-N610 WeakPolarHBondContact O-CB 3.49Å; H331-N610 PolarHBondContact O-N 3.31Å; F608-N610 VanDerWaalsContact CE1-CA 3.46Å; F608-N610 HydrophobicContact CE1-CB 3.8Å; F608-N610 HydrophobicContact CZ-CB 4.35Å; N610-D612 PolarHBondContact O-N 3.29Å; N610-D612 PolarHBondContact OD1-N 3.04Å; N610-Y613 PolarHBondContact O-N 3.32Å
611	P	93.1	Very high	83.6	Confident	78 Å²	78	81.4 Å²	81.4	51%	0.506	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-19.3	178.7	31.2	-36.3	0	0	0	113.3	T609 Y613	T609-P611 WeakPolarHBondContact O-CD 3.45Å; P611-Y613 VanDerWaalsContact C-N 3.32Å
612	D	92.7	Very high	83	Confident	64 Å²	64	79.1 Å²	79.1	34%	0.342	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-2.5	-179.2	-63.4	-41.2	0	0	0	112.1	A322 K323 N610 V614	A322-D612 HydrophobicContact CB-CB 4.2Å; K323-D612 WeakPolarHBondContact CE-OD2 3.29Å; K323-D612 IonicContact NZ-OD2 3.27Å; K323-D612 PolarHBondContact NZ-OD2 2.68Å; N610-D612 PolarHBondContact O-N 3.29Å; N610-D612 PolarHBondContact OD1-N 3.04Å; D612-V614 PolarHBondContact O-N 3.23Å
613	Y	92.5	Very high	82.6	Confident	43 Å²	43	78.2 Å²	78.2	17%	0.169	42%	0.423	C	S	.	.			trans	-75.1	118.2	177.5	-174.2	-94.1	0	0	0	111.2	Y292 A329 L330 H331 E345 N610 P611	Y292-Y613 HydrophobicContact CE1-CE1 4.26Å; A329-Y613 HydrophobicContact CB-CD2 3.9Å; A329-Y613 HydrophobicContact CB-CE2 4.04Å; L330-Y613 VanDerWaalsContact C-CD2 3.45Å; L330-Y613 WeakPolarHBondContact O-CB 3.19Å; L330-Y613 VanDerWaalsContact O-CD2 3.28Å; L330-Y613 WeakPolarHBondContact O-CD2 3.02Å; H331-Y613 HydrophobicContact CB-CD1 4.05Å; H331-Y613 HydrophobicContact CB-CD2 3.97Å; H331-Y613 HydrophobicContact CB-CE1 4Å; H331-Y613 HydrophobicContact CB-CE2 3.91Å; H331-Y613 HydrophobicContact CB-CG 4.02Å; H331-Y613 AromaticContact CD2-CD1 3.59Å; H331-Y613 AromaticContact CD2-CE1 3.76Å; E345-Y613 HydrophobicContact CB-CE2 4.09Å; N610-Y613 PolarHBondContact O-N 3.32Å; P611-Y613 VanDerWaalsContact C-N 3.32Å
614	V	84.1	Confident	81.8	Confident	109 Å²	109	83.4 Å²	83.4	66%	0.661	45%	0.451	S	S	*	.			trans	-108.4	123	172.5	-173.9	0	0	0	0	108.1	D612 G616	D612-V614 PolarHBondContact O-N 3.23Å; V614-G616 PolarHBondContact O-N 2.64Å
615	S	70.1	Confident	81.1	Confident	64 Å²	64	80.2 Å²	80.2	45%	0.448	44%	0.441	S	S	.	.			trans	-60.6	123.6	173.2	54.8	0	0	0	0	109.7	D617	S615-D617 PolarHBondContact O-N 3.11Å
616	G	59.8	Low	80.2	Confident	79 Å²	79	77.2 Å²	77.2	81%	0.814	43%	0.425	S	S	*	.	S	Bend	trans	-65.4	6.9	-174.3	0	0	0	0	0	116.9	V614 R618	V614-G616 PolarHBondContact O-N 2.64Å; G616-R618 PolarHBondContact O-N 3.17Å
617	D	43.8	Very low	79	Confident	115 Å²	115	83.6 Å²	83.6	62%	0.615	46%	0.46	S	S	*	.			trans	-98.9	63.1	175.7	-80.5	-21.4	0	0	0	111	R570 S615	R570-D617 IonicContact CZ-OD2 3.93Å; R570-D617 VanDerWaalsContact CZ-OD2 3.32Å; R570-D617 IonicContact NE-OD2 2.87Å; R570-D617 PolarHBondContact NE-OD2 2.72Å; R570-D617 IonicContact NH2-OD2 3.73Å; R570-D617 PolarHBondContact NH2-OD2 3.36Å; S615-D617 PolarHBondContact O-N 3.11Å
618	R	31.7	Very low	77.4	Confident	300 Å²	300	86.4 Å²	86.4	100%	1.132	47%	0.473	S	S	*	.			trans	-116.6	0	159	-83.5	-167	-179.9	-172.1	1.7	110.8	G616	G616-R618 PolarHBondContact O-N 3.17Å

Retrieved 618 of 618 residues in 1451.2 ms (Link to these results)

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