A0A087YN84_POEFO Loading...

Malic enzyme

AlphaFold DB , UniProt , Accession A0A087YN84, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 588 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	34.3	Very low	28.3	Very low	241 Å²	241	159.3 Å²	159.3	100%	1.187	82%	0.815	S	S	*	*				0	101.4	0	-70	-173	-161.1	0	0	108.2	R3	M1-R3 PolarHBondContact O-N 3.06Å
2	A	25.7	Very low	28.7	Very low	109 Å²	109	159.8 Å²	159.8	90%	0.901	81%	0.812	S	S	*	*			trans	-71.6	119	177.6	0	0	0	0	0	109.3
3	R	27.3	Very low	28.9	Very low	244 Å²	244	156.5 Å²	156.5	92%	0.921	81%	0.805	S	S	*	*			trans	-85	112.1	166.9	-77.9	-176.5	174.7	-177.6	-1.6	107.1	M1 L5	M1-R3 PolarHBondContact O-N 3.06Å; R3-L5 PolarHBondContact O-N 3.46Å
4	G	25.9	Very low	29.2	Very low	72 Å²	72	152.2 Å²	152.2	74%	0.742	78%	0.779	S	S	*	*			trans	-59.7	128.2	178.4	0	0	0	0	0	111.4	V6	G4-V6 PolarHBondContact O-N 2.86Å
5	L	27.6	Very low	29.7	Very low	173 Å²	173	149.5 Å²	149.5	91%	0.906	76%	0.764	S	S	*	*			trans	-65.8	113.5	162.2	-92.8	96.2	0	0	0	108	R3 R7	R3-L5 PolarHBondContact O-N 3.46Å; L5-R7 PolarHBondContact O-N 3.21Å
6	V	25.9	Very low	30.1	Very low	136 Å²	136	151.4 Å²	151.4	82%	0.824	77%	0.769	S	S	*	*			trans	-67.5	110.1	161.4	178	0	0	0	0	106.4	G4 R8	G4-V6 PolarHBondContact O-N 2.86Å; V6-R8 PolarHBondContact O-N 3.15Å; V6-R8 VanDerWaalsContact O-N 3.15Å
7	R	24.7	Very low	30.7	Very low	231 Å²	231	151.2 Å²	151.2	87%	0.872	76%	0.761	S	S	*	*			trans	-53.8	116.9	167.2	-107.6	178.3	171.3	177.5	-3.9	107.3	L5 E9	L5-R7 PolarHBondContact O-N 3.21Å; R7-E9 PolarHBondContact O-N 3.44Å; R7-E9 VanDerWaalsContact O-N 3.14Å
8	R	30.1	Very low	30.9	Very low	213 Å²	213	145.3 Å²	145.3	80%	0.804	74%	0.736	S	S	*	*			trans	-65.1	109.5	166.6	-76.9	178.4	171.7	-178.4	-6.6	106.6	V6 S10	V6-R8 PolarHBondContact O-N 3.15Å; V6-R8 VanDerWaalsContact O-N 3.15Å; R8-S10 PolarHBondContact O-N 2.84Å
9	E	24.9	Very low	31.2	Very low	189 Å²	189	148.3 Å²	148.3	88%	0.883	75%	0.747	S	S	*	*			trans	-66.7	88.3	165.4	-73.2	179	160.9	0	0	107.6	R7	R7-E9 PolarHBondContact O-N 3.44Å; R7-E9 VanDerWaalsContact O-N 3.14Å
10	S	30.7	Very low	31.2	Very low	60 Å²	60	147.2 Å²	147.2	42%	0.42	74%	0.743	S	S	.	*			trans	-70.7	145.6	166.3	52.4	0	0	0	0	109	R8 E12 T13	R8-S10 PolarHBondContact O-N 2.84Å; S10-E12 PolarHBondContact O-N 2.9Å; S10-E12 PolarHBondContact OG-OE2 2.84Å; S10-T13 PolarHBondContact O-OG1 3.49Å
11	V	33.9	Very low	31.8	Very low	84 Å²	84	150.2 Å²	150.2	51%	0.509	75%	0.752	S	S	.	*	G	3₁₀ helix	trans	-70.5	24.3	178	-178.2	0	0	0	0	112.2	T13 K160	V11-T13 PolarHBondContact O-N 2.94Å; V11-K160 HydrophobicContact CG2-CB 3.78Å; V11-K160 HydrophobicContact CG2-CD 3.71Å; V11-K160 HydrophobicContact CG2-CG 4.22Å
12	E	33.5	Very low	32.5	Very low	165 Å²	165	142.7 Å²	142.7	77%	0.771	74%	0.736	S	S	*	*	G	3₁₀ helix	trans	-80.9	-1.2	172.5	-73.8	177	143.3	0	0	112.5	S10	S10-E12 PolarHBondContact O-N 2.9Å; S10-E12 PolarHBondContact OG-OE2 2.84Å
13	T	31.8	Very low	33.9	Very low	118 Å²	118	143.4 Å²	143.4	72%	0.724	72%	0.719	S	S	*	*	G	3₁₀ helix	trans	-96.5	9.3	-175.7	-2.4	0	0	0	0	116.4	S10 V11	S10-T13 PolarHBondContact O-OG1 3.49Å; V11-T13 PolarHBondContact O-N 2.94Å
14	E	32.6	Very low	35.7	Very low	96 Å²	96	134.6 Å²	134.6	45%	0.449	69%	0.692	S	S	.	*	S	Bend	trans	-123.1	10.9	175.5	-76.2	-172.5	-174	0	0	115.7	K29	E14-K29 WeakPolarHBondContact OE1-CE 3.41Å; E14-K29 IonicContact OE1-NZ 3.73Å; E14-K29 PolarHBondContact OE1-NZ 3.03Å; E14-K29 WeakPolarHBondContact OE2-CE 3.36Å; E14-K29 IonicContact OE2-NZ 2.55Å
15	M	36.8	Very low	37.9	Very low	112 Å²	112	133.7 Å²	133.7	55%	0.552	67%	0.668	S	S	*	*			trans	-128.5	80.1	175.5	-65.6	-176.3	70.2	0	0	111.3	K17 V26	M15-K17 PolarHBondContact O-N 3.47Å; M15-K17 VanDerWaalsContact O-N 3.15Å; M15-V26 HydrophobicContact CE-CG1 4.39Å; M15-V26 HydrophobicContact CE-CG2 4.05Å
16	H	35.5	Very low	40.3	Very low	180 Å²	180	126.5 Å²	126.5	83%	0.833	63%	0.631	S	S	*	*			trans	-72.2	102.1	165.3	-89.1	-59.8	0	0	0	109.2	S18	H16-S18 PolarHBondContact O-N 2.94Å
17	K	41.6	Very low	43	Very low	147 Å²	147	127.4 Å²	127.4	64%	0.639	62%	0.621	S	S	*	*			trans	-73.8	108.7	166.1	-64.8	-177	179.9	-179.7	0	107.9	M15	M15-K17 PolarHBondContact O-N 3.47Å; M15-K17 VanDerWaalsContact O-N 3.15Å
18	S	34.3	Very low	45.9	Very low	45 Å²	45	117.6 Å²	117.6	32%	0.315	59%	0.587	S	S	.	*			trans	-85.5	122.5	163.7	67.8	0	0	0	0	108.6	H16 D20	H16-S18 PolarHBondContact O-N 2.94Å; S18-D20 VanDerWaalsContact C-N 3.32Å; S18-D20 PolarHBondContact O-N 2.93Å; S18-D20 VanDerWaalsContact O-N 3.11Å
19	E	35	Very low	48.6	Very low	202 Å²	202	114 Å²	114	94%	0.944	58%	0.577	S	S	*	*			trans	-79.5	83.9	171.8	-74.8	-175.9	159.3	0	0	108.7
20	D	33.1	Very low	51.9	Low	126 Å²	126	109.7 Å²	109.7	67%	0.674	56%	0.556	S	S	*	*			trans	-121.9	140.8	155.9	-150.6	-3.4	0	0	0	109.7	S18 G22	S18-D20 VanDerWaalsContact C-N 3.32Å; S18-D20 PolarHBondContact O-N 2.93Å; S18-D20 VanDerWaalsContact O-N 3.11Å; D20-G22 PolarHBondContact O-N 2.99Å
21	K	43	Very low	54.9	Low	211 Å²	211	113.3 Å²	113.3	92%	0.917	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.3	109.6	-157.7	-71.3	176	177.8	174.9	0	112.8
22	G	49.5	Very low	57.8	Low	83 Å²	83	110.2 Å²	110.2	86%	0.856	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	105.4	-3.4	160.2	0	0	0	0	0	117.1	D20	D20-G22 PolarHBondContact O-N 2.99Å
23	K	55.4	Low	60.8	Low	124 Å²	124	109 Å²	109	54%	0.539	54%	0.538	S	S	.	.			trans	-135.7	123.5	179	-68.4	-176.3	167.4	-158.2	0	111.6	F25 D568	K23-F25 HydrophobicContact CB-CE2 4.43Å; K23-D568 IonicContact NZ-OD2 3.07Å; K23-D568 PolarHBondContact NZ-OD2 3.07Å
24	T	63.6	Low	63.9	Low	60 Å²	60	108 Å²	108	37%	0.368	53%	0.528	S	S	.	.			trans	-91.6	110.6	172.4	-56.6	0	0	0	0	108.3	V26 D567 D568	T24-V26 HydrophobicContact CG2-CG2 4.24Å; T24-D567 CarbonylContact O-C 3.57Å; T24-D567 WeakPolarHBondContact O-CA 3.46Å; T24-D568 PolarHBondContact O-N 2.83Å
25	F	72.3	Confident	66.9	Low	52 Å²	52	103.4 Å²	103.4	23%	0.228	51%	0.507	C	S	.	.	B	Isolated β-bridge	trans	-76.7	132.7	174	-66.9	-85.5	0	0	0	110.4	K23 D568	K23-F25 HydrophobicContact CB-CE2 4.43Å; F25-D568 WeakPolarHBondContact CA-O 3.37Å; F25-D568 HydrophobicContact CD1-CB 4.09Å; F25-D568 HydrophobicContact CE1-CB 4.27Å
26	V	78.4	Confident	69.7	Low	23 Å²	23	99.4 Å²	99.4	14%	0.139	49%	0.488	C	S	.	.			trans	-129.1	125.3	178.2	176	0	0	0	0	110.2	M15 T24 D567 D568 F569	M15-V26 HydrophobicContact CE-CG1 4.39Å; M15-V26 HydrophobicContact CE-CG2 4.05Å; T24-V26 HydrophobicContact CG2-CG2 4.24Å; V26-D567 HydrophobicContact CB-CB 4.1Å; V26-D567 HydrophobicContact CG2-CB 3.53Å; V26-D568 PolarHBondContact N-O 2.99Å; V26-F569 HydrophobicContact CB-CE1 4.26Å; V26-F569 HydrophobicContact CG1-CE1 4.25Å; V26-F569 WeakPolarHBondContact O-CD1 3.25Å
27	Y	82.1	Confident	72.6	Confident	154 Å²	154	97.7 Å²	97.7	60%	0.604	48%	0.475	S	S	*	.			trans	-79.3	139.4	173.9	179.2	-101.2	0	0	0	111	K29	Y27-K29 HydrophobicContact CE1-CG 3.67Å
28	T	85.4	Confident	75.1	Confident	26 Å²	26	91.8 Å²	91.8	16%	0.16	45%	0.45	C	S	.	.			trans	-137.1	137.5	171.1	-177.3	0	0	0	0	111.2	K30 L41 L55 F569	T28-K30 VanDerWaalsContact C-N 3.33Å; T28-K30 PolarHBondContact OG1-N 3.35Å; T28-L41 WeakPolarHBondContact OG1-CD1 3.24Å; T28-L55 HydrophobicContact CG2-CD2 3.96Å; T28-F569 HydrophobicContact CG2-CD1 4.08Å; T28-F569 HydrophobicContact CG2-CE1 4.43Å
29	K	88.4	Confident	78.1	Confident	136 Å²	136	90 Å²	90	59%	0.591	44%	0.437	S	S	*	.	S	Bend	trans	-78.2	-19.4	172.9	-64.8	-177.9	-176.8	169.3	0	112.7	E14 Y27	E14-K29 WeakPolarHBondContact OE1-CE 3.41Å; E14-K29 IonicContact OE1-NZ 3.73Å; E14-K29 PolarHBondContact OE1-NZ 3.03Å; E14-K29 WeakPolarHBondContact OE2-CE 3.36Å; E14-K29 IonicContact OE2-NZ 2.55Å; Y27-K29 HydrophobicContact CE1-CG 3.67Å
30	K	92.3	Very high	80.9	Confident	100 Å²	100	82.9 Å²	82.9	44%	0.435	40%	0.404	S	S	.	.			trans	-78	139.2	-177.8	-64.5	-172.4	-177.7	-179.4	0	110	T28 V35 N38 L41	T28-K30 VanDerWaalsContact C-N 3.33Å; T28-K30 PolarHBondContact OG1-N 3.35Å; K30-V35 HydrophobicContact CB-CG2 4.15Å; K30-V35 VanDerWaalsContact O-CG2 3.3Å; K30-V35 WeakPolarHBondContact O-CG2 3.35Å; K30-N38 PolarHBondContact NZ-ND2 3.2Å; K30-N38 VanDerWaalsContact NZ-ND2 3.12Å; K30-L41 HydrophobicContact CB-CD1 4.02Å; K30-L41 HydrophobicContact CD-CD1 3.99Å; K30-L41 HydrophobicContact CG-CD1 4.4Å
31	K	94	Very high	83.9	Confident	136 Å²	136	77.9 Å²	77.9	59%	0.591	38%	0.377	S	S	*	.			trans	-136.7	168.3	176.1	-65.8	-163.4	177.6	-160.9	0	110.6
32	G	95.8	Very high	86.5	Confident	18 Å²	18	68.3 Å²	68.3	19%	0.186	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	-144.8	176.5	0	0	0	0	0	112.5	D34 V35 L55 I57	G32-D34 PolarHBondContact O-N 3.45Å; G32-D34 VanDerWaalsContact O-N 3.12Å; G32-V35 WeakPolarHBondContact O-CB 3.26Å; G32-V35 PolarHBondContact O-N 3.36Å; G32-V35 VanDerWaalsContact O-N 3.11Å; G32-L55 PolarHBondContact N-O 3.17Å; G32-I57 WeakPolarHBondContact O-CG2 3.46Å
33	Y	96.9	Very high	88.8	Confident	139 Å²	139	65 Å²	65	55%	0.545	30%	0.298	S	S	.	.	H	α-helix	trans	-53.8	-35.1	-174.5	-176.2	-109.1	0	0	0	113.7	V35 T36 R37	Y33-V35 PolarHBondContact O-N 2.99Å; Y33-T36 PolarHBondContact O-N 3.24Å; Y33-T36 PolarHBondContact O-OG1 2.63Å; Y33-R37 HydrophobicContact CD1-CG 3.83Å; Y33-R37 HydrophobicContact CE1-CG 3.43Å; Y33-R37 VanDerWaalsContact CE1-CG 3.43Å; Y33-R37 HydrophobicContact CE2-CG 4.27Å; Y33-R37 HydrophobicContact CG-CG 4.42Å; Y33-R37 PolarHBondContact O-N 3.31Å; Y33-R37 WeakPolarHBondContact OH-CD 3.2Å
34	D	96.3	Very high	90.8	Very high	98 Å²	98	60.8 Å²	60.8	52%	0.524	28%	0.28	S	S	.	.	H	α-helix	trans	-61.4	-30.6	-178.2	-69.4	-19.3	0	0	0	113.5	G32 T36 R37 N38	G32-D34 PolarHBondContact O-N 3.45Å; G32-D34 VanDerWaalsContact O-N 3.12Å; D34-T36 VanDerWaalsContact C-N 3.33Å; D34-R37 PolarHBondContact O-N 3.01Å; D34-N38 WeakPolarHBondContact O-CB 3.31Å; D34-N38 PolarHBondContact O-N 3.25Å; D34-N38 VanDerWaalsContact O-N 3.13Å
35	V	95.7	Very high	92.4	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-62.1	-44.6	174.4	174.2	0	0	0	0	110.1	K30 G32 Y33 R37 N38 L41 F47 L55 I57	K30-V35 HydrophobicContact CB-CG2 4.15Å; K30-V35 VanDerWaalsContact O-CG2 3.3Å; K30-V35 WeakPolarHBondContact O-CG2 3.35Å; G32-V35 WeakPolarHBondContact O-CB 3.26Å; G32-V35 PolarHBondContact O-N 3.36Å; G32-V35 VanDerWaalsContact O-N 3.11Å; Y33-V35 PolarHBondContact O-N 2.99Å; V35-R37 PolarHBondContact O-N 2.87Å; V35-N38 PolarHBondContact O-N 3.03Å; V35-L41 HydrophobicContact CG1-CB 4.19Å; V35-F47 HydrophobicContact CG1-CE1 4.36Å; V35-F47 HydrophobicContact CG1-CE2 4.41Å; V35-F47 HydrophobicContact CG1-CZ 3.69Å; V35-L55 HydrophobicContact CG1-CD1 4.27Å; V35-L55 HydrophobicContact CG2-CD2 4.42Å; V35-I57 HydrophobicContact CB-CG2 4.34Å
36	T	95.6	Very high	93.7	Very high	27 Å²	27	57.2 Å²	57.2	17%	0.166	26%	0.264	C	S	.	.	H	α-helix	trans	-69.4	-17.1	-179	72.3	0	0	0	0	113.7	Y33 D34 I57	Y33-T36 PolarHBondContact O-N 3.24Å; Y33-T36 PolarHBondContact O-OG1 2.63Å; D34-T36 VanDerWaalsContact C-N 3.33Å; T36-I57 HydrophobicContact CG2-CB 4.38Å; T36-I57 HydrophobicContact CG2-CG2 4.03Å
37	R	95.6	Very high	94.6	Very high	145 Å²	145	56.1 Å²	56.1	55%	0.547	26%	0.257	S	S	.	.	H	α-helix	trans	-98.9	-15.1	-179.9	-61.1	-60.7	-70.9	172	-2.2	113.6	Y33 D34 V35 P39	Y33-R37 HydrophobicContact CD1-CG 3.83Å; Y33-R37 HydrophobicContact CE1-CG 3.43Å; Y33-R37 VanDerWaalsContact CE1-CG 3.43Å; Y33-R37 HydrophobicContact CE2-CG 4.27Å; Y33-R37 HydrophobicContact CG-CG 4.42Å; Y33-R37 PolarHBondContact O-N 3.31Å; Y33-R37 WeakPolarHBondContact OH-CD 3.2Å; D34-R37 PolarHBondContact O-N 3.01Å; V35-R37 PolarHBondContact O-N 2.87Å; R37-P39 WeakPolarHBondContact O-CD 3.25Å
38	N	95.3	Very high	95.3	Very high	23 Å²	23	50.8 Å²	50.8	12%	0.123	24%	0.243	C	C	.	.			trans	-89.9	109.7	177.4	-171.9	-10.8	0	0	0	110	K30 D34 V35 H40 L41 N42	K30-N38 PolarHBondContact NZ-ND2 3.2Å; K30-N38 VanDerWaalsContact NZ-ND2 3.12Å; D34-N38 WeakPolarHBondContact O-CB 3.31Å; D34-N38 PolarHBondContact O-N 3.25Å; D34-N38 VanDerWaalsContact O-N 3.13Å; V35-N38 PolarHBondContact O-N 3.03Å; N38-H40 PolarHBondContact O-N 3.18Å; N38-H40 VanDerWaalsContact O-N 3.15Å; N38-H40 WeakPolarHBondContact OD1-CB 3.47Å; N38-H40 PolarHBondContact OD1-CD2 3.23Å; N38-H40 PolarHBondContact OD1-N 2.98Å; N38-L41 HydrophobicContact CB-CB 4.28Å; N38-L41 HydrophobicContact CB-CD1 4.15Å; N38-L41 HydrophobicContact CB-CG 4.23Å; N38-L41 WeakPolarHBondContact ND2-CD1 3.34Å; N38-L41 PolarHBondContact O-N 3.05Å; N38-N42 WeakPolarHBondContact O-CB 3.33Å; N38-N42 PolarHBondContact O-N 3.47Å
39	P	96	Very high	95.9	Very high	6 Å²	6	53.6 Å²	53.6	4%	0.039	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-22.8	-177.7	25.6	-34.3	0	0	0	113.9	R37 L41 M96 E100	R37-P39 WeakPolarHBondContact O-CD 3.25Å; P39-L41 VanDerWaalsContact C-N 3.31Å; P39-M96 WeakPolarHBondContact CB-O 3.45Å; P39-E100 WeakPolarHBondContact O-CB 3.42Å; P39-E100 PolarHBondContact O-N 2.71Å
40	H	94.2	Very high	96.2	Very high	53 Å²	53	51.9 Å²	51.9	25%	0.245	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-24.6	176.3	-50.3	-54.2	0	0	0	112.7	N38 E100 Q203	N38-H40 PolarHBondContact O-N 3.18Å; N38-H40 VanDerWaalsContact O-N 3.15Å; N38-H40 WeakPolarHBondContact OD1-CB 3.47Å; N38-H40 PolarHBondContact OD1-CD2 3.23Å; N38-H40 PolarHBondContact OD1-N 2.98Å; H40-E100 IonicContact CE1-OE1 3.05Å; H40-E100 IonicContact CE1-OE2 2.81Å; H40-E100 PolarHBondContact CE1-OE2 3.01Å; H40-E100 IonicContact CG-OE1 3.81Å; H40-E100 IonicContact ND1-OE1 3.9Å; H40-E100 PolarHBondContact ND1-OE1 3.3Å; H40-E100 IonicContact ND1-OE2 3.89Å; H40-E100 PolarHBondContact ND1-OE2 2.85Å; H40-Q203 PolarHBondContact ND1-NE2 3.14Å
41	L	95.8	Very high	96.4	Very high	21 Å²	21	47.4 Å²	47.4	11%	0.11	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-29.3	-176.8	-57.4	177.3	0	0	0	112.6	T28 K30 V35 N38 P39 K43 F47 F569	T28-L41 WeakPolarHBondContact OG1-CD1 3.24Å; K30-L41 HydrophobicContact CB-CD1 4.02Å; K30-L41 HydrophobicContact CD-CD1 3.99Å; K30-L41 HydrophobicContact CG-CD1 4.4Å; V35-L41 HydrophobicContact CG1-CB 4.19Å; N38-L41 HydrophobicContact CB-CB 4.28Å; N38-L41 HydrophobicContact CB-CD1 4.15Å; N38-L41 HydrophobicContact CB-CG 4.23Å; N38-L41 WeakPolarHBondContact ND2-CD1 3.34Å; N38-L41 PolarHBondContact O-N 3.05Å; P39-L41 VanDerWaalsContact C-N 3.31Å; L41-K43 PolarHBondContact O-N 3.15Å; L41-F47 VanDerWaalsContact O-CZ 3.23Å; L41-F47 WeakPolarHBondContact O-CZ 3.45Å; L41-F569 HydrophobicContact CB-CZ 4.21Å; L41-F569 HydrophobicContact CD2-CE1 3.77Å; L41-F569 HydrophobicContact CD2-CZ 3.78Å; L41-F569 VanDerWaalsContact O-CE2 3.24Å; L41-F569 WeakPolarHBondContact O-CE2 3.34Å
42	N	97.8	Very high	96.6	Very high	11 Å²	11	41.1 Å²	41.1	6%	0.059	20%	0.203	C	C	.	.			trans	-69.7	120.8	-171.2	-177.8	34.9	0	0	0	112.1	N38 E44 R98 N99	N38-N42 WeakPolarHBondContact O-CB 3.33Å; N38-N42 PolarHBondContact O-N 3.47Å; N42-E44 PolarHBondContact OD1-N 3.08Å; N42-R98 WeakPolarHBondContact CB-O 3.27Å; N42-R98 PolarHBondContact ND2-O 3.42Å; N42-N99 PolarHBondContact O-ND2 3.48Å; N42-N99 PolarHBondContact O-OD1 3.24Å
43	K	98	Very high	96.6	Very high	12 Å²	12	45.3 Å²	45.3	5%	0.052	22%	0.221	C	C	.	.			trans	-102	-0.7	171.4	-52.2	-173	-175.7	178.6	0	113.6	L41 M45 A46 F47 E51 Q71 Y566 D567 F569	L41-K43 PolarHBondContact O-N 3.15Å; K43-M45 PolarHBondContact O-N 2.75Å; K43-A46 HydrophobicContact CB-CB 4.13Å; K43-A46 WeakPolarHBondContact O-CB 3.4Å; K43-A46 PolarHBondContact O-N 2.83Å; K43-F47 HydrophobicContact CB-CD1 3.88Å; K43-F47 HydrophobicContact CB-CD2 3.99Å; K43-F47 HydrophobicContact CB-CE1 3.92Å; K43-F47 HydrophobicContact CB-CE2 4.01Å; K43-F47 HydrophobicContact CB-CG 3.91Å; K43-F47 HydrophobicContact CB-CZ 3.98Å; K43-F47 HydrophobicContact CD-CD1 3.76Å; K43-F47 HydrophobicContact CD-CE1 3.9Å; K43-F47 HydrophobicContact CD-CG 4.47Å; K43-F47 HydrophobicContact CG-CD1 3.86Å; K43-F47 HydrophobicContact CG-CE1 3.61Å; K43-F47 HydrophobicContact CG-CE2 4.49Å; K43-F47 HydrophobicContact CG-CG 4.41Å; K43-F47 HydrophobicContact CG-CZ 3.95Å; K43-E51 IonicContact NZ-OE1 2.62Å; K43-E51 PolarHBondContact NZ-OE1 3.43Å; K43-E51 IonicContact NZ-OE2 3.61Å; K43-Q71 PolarHBondContact O-NE2 3.11Å; K43-Y566 HydrophobicContact CB-CD1 4.13Å; K43-Y566 HydrophobicContact CB-CE1 3.95Å; K43-Y566 HydrophobicContact CB-CE2 4.5Å; K43-Y566 HydrophobicContact CB-CG 4.49Å; K43-Y566 HydrophobicContact CD-CD1 3.95Å; K43-Y566 HydrophobicContact CD-CD2 4.38Å; K43-Y566 HydrophobicContact CD-CG 3.84Å; K43-Y566 HydrophobicContact CG-CD1 3.61Å; K43-Y566 HydrophobicContact CG-CE1 3.89Å; K43-Y566 HydrophobicContact CG-CG 4.02Å; K43-D567 WeakPolarHBondContact CE-O 3.49Å; K43-D567 PolarHBondContact NZ-O 2.92Å; K43-F569 HydrophobicContact CD-CD2 4.41Å; K43-F569 HydrophobicContact CD-CE2 4.27Å; K43-F569 VanDerWaalsContact CE-CD2 3.44Å; K43-F569 HydrophobicContact CG-CE2 4.21Å
44	E	97.4	Very high	96.5	Very high	36 Å²	36	41.7 Å²	41.7	17%	0.168	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	52.1	-125.5	-170.7	-47.1	173.3	152.1	0	0	112	N42 A46 F47 Q71 R98 N99	N42-E44 PolarHBondContact OD1-N 3.08Å; E44-A46 PolarHBondContact O-N 3.46Å; E44-F47 WeakPolarHBondContact O-CD2 3.32Å; E44-F47 PolarHBondContact O-N 2.97Å; E44-Q71 PolarHBondContact OE2-NE2 2.77Å; E44-R98 IonicContact OE1-CZ 2.74Å; E44-R98 VanDerWaalsContact OE1-CZ 3.3Å; E44-R98 IonicContact OE1-NE 2.75Å; E44-R98 PolarHBondContact OE1-NE 3.06Å; E44-R98 IonicContact OE1-NH2 3.54Å; E44-R98 PolarHBondContact OE1-NH2 2.77Å; E44-N99 HydrophobicContact CG-CB 4.46Å
45	M	97.8	Very high	96.5	Very high	15 Å²	15	37.4 Å²	37.4	7%	0.074	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-77.9	-0.5	179.5	-67.3	-171.7	-54.1	0	0	113.9	K43 F47 R52 V61 P62 C64 F65 I66 R74	K43-M45 PolarHBondContact O-N 2.75Å; M45-F47 VanDerWaalsContact C-N 3.32Å; M45-R52 PolarHBondContact O-NH2 3.18Å; M45-R52 VanDerWaalsContact O-NH2 3.16Å; M45-V61 HydrophobicContact CB-CG1 4.42Å; M45-V61 HydrophobicContact CG-CG1 3.65Å; M45-P62 HydrophobicContact SD-CB 3.8Å; M45-P62 HydrophobicContact SD-CG 3.94Å; M45-C64 HydrophobicContact SD-CB 4.22Å; M45-F65 WeakPolarHBondContact O-CA 3.16Å; M45-I66 HydrophobicContact CB-CD1 4.16Å; M45-I66 HydrophobicContact CB-CG1 3.76Å; M45-I66 HydrophobicContact CE-CD1 3.66Å; M45-I66 HydrophobicContact CE-CG1 4.31Å; M45-I66 PolarHBondContact O-N 2.96Å; M45-I66 VanDerWaalsContact O-N 3.1Å; M45-R74 VanDerWaalsContact CE-CZ 3.46Å
46	A	98.1	Very high	96.5	Very high	22 Å²	22	39.8 Å²	39.8	18%	0.182	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-82.3	-8.4	171.3	0	0	0	0	0	113.6	K43 E44 S48 I66 Q71 Y566	K43-A46 HydrophobicContact CB-CB 4.13Å; K43-A46 WeakPolarHBondContact O-CB 3.4Å; K43-A46 PolarHBondContact O-N 2.83Å; E44-A46 PolarHBondContact O-N 3.46Å; A46-S48 PolarHBondContact O-N 2.93Å; A46-I66 VanDerWaalsContact CA-O 3.28Å; A46-I66 WeakPolarHBondContact CA-O 3.49Å; A46-I66 WeakPolarHBondContact CB-O 3.47Å; A46-Q71 VanDerWaalsContact CB-OE1 3.3Å; A46-Y566 HydrophobicContact CB-CD2 3.96Å; A46-Y566 HydrophobicContact CB-CE2 3.43Å; A46-Y566 VanDerWaalsContact CB-CE2 3.43Å
47	F	97.8	Very high	96.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.203	C	C	.	.	S	Bend	trans	-60.2	128.3	166.7	-73.3	-63.8	0	0	0	110.4	V35 L41 K43 E44 M45 E51 R52 L55 I57 F65 F569	V35-F47 HydrophobicContact CG1-CE1 4.36Å; V35-F47 HydrophobicContact CG1-CE2 4.41Å; V35-F47 HydrophobicContact CG1-CZ 3.69Å; L41-F47 VanDerWaalsContact O-CZ 3.23Å; L41-F47 WeakPolarHBondContact O-CZ 3.45Å; K43-F47 HydrophobicContact CB-CD1 3.88Å; K43-F47 HydrophobicContact CB-CD2 3.99Å; K43-F47 HydrophobicContact CB-CE1 3.92Å; K43-F47 HydrophobicContact CB-CE2 4.01Å; K43-F47 HydrophobicContact CB-CG 3.91Å; K43-F47 HydrophobicContact CB-CZ 3.98Å; K43-F47 HydrophobicContact CD-CD1 3.76Å; K43-F47 HydrophobicContact CD-CE1 3.9Å; K43-F47 HydrophobicContact CD-CG 4.47Å; K43-F47 HydrophobicContact CG-CD1 3.86Å; K43-F47 HydrophobicContact CG-CE1 3.61Å; K43-F47 HydrophobicContact CG-CE2 4.49Å; K43-F47 HydrophobicContact CG-CG 4.41Å; K43-F47 HydrophobicContact CG-CZ 3.95Å; E44-F47 WeakPolarHBondContact O-CD2 3.32Å; E44-F47 PolarHBondContact O-N 2.97Å; M45-F47 VanDerWaalsContact C-N 3.32Å; F47-E51 WeakPolarHBondContact CA-OE2 3.44Å; F47-E51 HydrophobicContact CD1-CB 4.2Å; F47-R52 HydrophobicContact CB-CG 3.74Å; F47-R52 PolarHBondContact O-NE 2.97Å; F47-R52 PolarHBondContact O-NH2 3.25Å; F47-R52 VanDerWaalsContact O-NH2 3.13Å; F47-L55 HydrophobicContact CD1-CD1 4.17Å; F47-L55 HydrophobicContact CE1-CD1 3.84Å; F47-I57 HydrophobicContact CB-CD1 4.33Å; F47-I57 HydrophobicContact CD1-CD1 4.22Å; F47-I57 HydrophobicContact CD2-CD1 3.47Å; F47-I57 VanDerWaalsContact CD2-CD1 3.47Å; F47-I57 HydrophobicContact CE1-CD1 4.38Å; F47-I57 HydrophobicContact CE2-CD1 3.68Å; F47-I57 HydrophobicContact CG-CD1 3.78Å; F47-I57 HydrophobicContact CZ-CD1 4.13Å; F47-F65 VanDerWaalsContact O-CD1 3.3Å; F47-F65 WeakPolarHBondContact O-CD1 3.47Å; F47-F569 HydrophobicContact CD1-CD2 4.37Å; F47-F569 AromaticContact CE1-CD2 3.7Å; F47-F569 HydrophobicContact CE1-CD2 3.7Å; F47-F569 AromaticContact CE1-CE2 3.89Å; F47-F569 HydrophobicContact CE1-CE2 3.89Å
48	S	97.1	Very high	96.7	Very high	43 Å²	43	36.9 Å²	36.9	30%	0.301	20%	0.201	S	C	.	.			trans	-65.8	165	173	84.6	0	0	0	0	111.2	A46 E50 E51 R52	A46-S48 PolarHBondContact O-N 2.93Å; S48-E50 VanDerWaalsContact C-N 3.29Å; S48-E50 PolarHBondContact O-N 2.75Å; S48-E50 PolarHBondContact OG-N 2.85Å; S48-E51 PolarHBondContact N-OE2 2.94Å; S48-E51 PolarHBondContact O-N 2.92Å; S48-E51 WeakPolarHBondContact OG-CG 3.27Å; S48-E51 PolarHBondContact OG-N 2.89Å; S48-E51 VanDerWaalsContact OG-N 3.07Å; S48-R52 WeakPolarHBondContact O-CB 3.45Å; S48-R52 WeakPolarHBondContact O-CG 3.5Å; S48-R52 PolarHBondContact O-N 3.25Å
49	L	97.4	Very high	96.8	Very high	85 Å²	85	39 Å²	39	45%	0.445	23%	0.228	S	C	.	.	H	α-helix	trans	-62.2	-40.8	175.9	178.5	59.2	0	0	0	111.4	R52 L53 F65	L49-R52 PolarHBondContact O-N 3.22Å; L49-L53 HydrophobicContact CD1-CD1 4.25Å; L49-L53 HydrophobicContact CD1-CG 4.25Å; L49-L53 HydrophobicContact CG-CD1 4.12Å; L49-L53 WeakPolarHBondContact O-CG 3.34Å; L49-L53 PolarHBondContact O-N 2.83Å; L49-F65 HydrophobicContact CB-CE1 3.86Å; L49-F65 HydrophobicContact CB-CZ 3.91Å; L49-F65 HydrophobicContact CD1-CZ 4.13Å
50	E	95.9	Very high	96.9	Very high	99 Å²	99	43.5 Å²	43.5	46%	0.463	25%	0.252	S	S	.	.	H	α-helix	trans	-60	-50.3	177.5	178.9	173	-167.8	0	0	111.5	S48 R52 L53 Q54 A570	S48-E50 VanDerWaalsContact C-N 3.29Å; S48-E50 PolarHBondContact O-N 2.75Å; S48-E50 PolarHBondContact OG-N 2.85Å; E50-R52 VanDerWaalsContact C-N 3.29Å; E50-R52 PolarHBondContact O-N 3.09Å; E50-L53 PolarHBondContact O-N 3.36Å; E50-Q54 HydrophobicContact CG-CG 4.41Å; E50-Q54 VanDerWaalsContact CG-NE2 3.29Å; E50-Q54 WeakPolarHBondContact O-CG 3.33Å; E50-Q54 PolarHBondContact O-N 3.45Å; E50-Q54 PolarHBondContact OE1-NE2 2.76Å; E50-A570 HydrophobicContact CG-CB 4.44Å
51	E	96	Very high	97	Very high	6 Å²	6	41.9 Å²	41.9	3%	0.028	25%	0.246	C	C	.	.	H	α-helix	trans	-58.4	-43.7	176	-69.9	178	122.4	0	0	110.9	K43 F47 S48 L53 Q54 L55 F569	K43-E51 IonicContact NZ-OE1 2.62Å; K43-E51 PolarHBondContact NZ-OE1 3.43Å; K43-E51 IonicContact NZ-OE2 3.61Å; F47-E51 WeakPolarHBondContact CA-OE2 3.44Å; F47-E51 HydrophobicContact CD1-CB 4.2Å; S48-E51 PolarHBondContact N-OE2 2.94Å; S48-E51 PolarHBondContact O-N 2.92Å; S48-E51 WeakPolarHBondContact OG-CG 3.27Å; S48-E51 PolarHBondContact OG-N 2.89Å; S48-E51 VanDerWaalsContact OG-N 3.07Å; E51-L53 VanDerWaalsContact C-N 3.3Å; E51-L53 PolarHBondContact O-N 3.5Å; E51-Q54 PolarHBondContact O-N 3.21Å; E51-L55 HydrophobicContact CB-CD1 4.26Å; E51-L55 WeakPolarHBondContact O-CB 3.37Å; E51-L55 VanDerWaalsContact O-CG 3.23Å; E51-L55 WeakPolarHBondContact O-CG 3.3Å; E51-L55 PolarHBondContact O-N 2.77Å; E51-F569 HydrophobicContact CG-CB 4.34Å; E51-F569 PolarHBondContact OE1-N 3.47Å
52	R	97.4	Very high	97.1	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.015	26%	0.264	C	S	.	.	H	α-helix	trans	-61.1	-38.6	179.5	-70.8	177.4	-157.7	-160.2	5.4	112.6	M45 F47 S48 L49 E50 G56 I57 H58 P62 C64 F65	M45-R52 PolarHBondContact O-NH2 3.18Å; M45-R52 VanDerWaalsContact O-NH2 3.16Å; F47-R52 HydrophobicContact CB-CG 3.74Å; F47-R52 PolarHBondContact O-NE 2.97Å; F47-R52 PolarHBondContact O-NH2 3.25Å; F47-R52 VanDerWaalsContact O-NH2 3.13Å; S48-R52 WeakPolarHBondContact O-CB 3.45Å; S48-R52 WeakPolarHBondContact O-CG 3.5Å; S48-R52 PolarHBondContact O-N 3.25Å; L49-R52 PolarHBondContact O-N 3.22Å; E50-R52 VanDerWaalsContact C-N 3.29Å; E50-R52 PolarHBondContact O-N 3.09Å; R52-G56 PolarHBondContact O-N 3.14Å; R52-I57 HydrophobicContact CB-CG1 3.95Å; R52-I57 HydrophobicContact CG-CD1 4.07Å; R52-I57 HydrophobicContact CG-CG1 3.95Å; R52-I57 PolarHBondContact O-N 2.89Å; R52-H58 HydrophobicContact CB-CB 4.12Å; R52-H58 PolarHBondContact O-N 3.37Å; R52-P62 PolarHBondContact NH1-O 2.94Å; R52-C64 PolarHBondContact NH2-O 2.85Å; R52-F65 VanDerWaalsContact NE-CE1 3.33Å; R52-F65 VanDerWaalsContact NH2-CD1 3.27Å
53	L	96.5	Very high	97	Very high	106 Å²	106	50 Å²	50	56%	0.555	30%	0.3	S	S	*	.	H	α-helix	trans	-71.6	-48.6	177.9	-68.9	170.2	0	0	0	111.1	L49 E50 E51 L55 G56 H58	L49-L53 HydrophobicContact CD1-CD1 4.25Å; L49-L53 HydrophobicContact CD1-CG 4.25Å; L49-L53 HydrophobicContact CG-CD1 4.12Å; L49-L53 WeakPolarHBondContact O-CG 3.34Å; L49-L53 PolarHBondContact O-N 2.83Å; E50-L53 PolarHBondContact O-N 3.36Å; E51-L53 VanDerWaalsContact C-N 3.3Å; E51-L53 PolarHBondContact O-N 3.5Å; L53-L55 PolarHBondContact O-N 3.2Å; L53-G56 PolarHBondContact O-N 3.07Å; L53-G56 VanDerWaalsContact O-N 3.13Å; L53-H58 HydrophobicContact CD2-CB 4.03Å
54	Q	94.6	Very high	97	Very high	63 Å²	63	52.3 Å²	52.3	29%	0.294	32%	0.317	S	S	.	.	H	α-helix	trans	-66.8	-38	-177.3	-69.1	179.2	6.6	0	0	113	E50 E51 G56 A570	E50-Q54 HydrophobicContact CG-CG 4.41Å; E50-Q54 VanDerWaalsContact CG-NE2 3.29Å; E50-Q54 WeakPolarHBondContact O-CG 3.33Å; E50-Q54 PolarHBondContact O-N 3.45Å; E50-Q54 PolarHBondContact OE1-NE2 2.76Å; E51-Q54 PolarHBondContact O-N 3.21Å; Q54-G56 VanDerWaalsContact C-N 3.29Å; Q54-A570 VanDerWaalsContact OE1-CA 3.28Å
55	L	95.8	Very high	97	Very high	9 Å²	9	55.4 Å²	55.4	5%	0.047	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-10.4	175.7	-63.1	168.5	0	0	0	112.4	T28 G32 V35 F47 E51 L53 I57 F569	T28-L55 HydrophobicContact CG2-CD2 3.96Å; G32-L55 PolarHBondContact N-O 3.17Å; V35-L55 HydrophobicContact CG1-CD1 4.27Å; V35-L55 HydrophobicContact CG2-CD2 4.42Å; F47-L55 HydrophobicContact CD1-CD1 4.17Å; F47-L55 HydrophobicContact CE1-CD1 3.84Å; E51-L55 HydrophobicContact CB-CD1 4.26Å; E51-L55 WeakPolarHBondContact O-CB 3.37Å; E51-L55 VanDerWaalsContact O-CG 3.23Å; E51-L55 WeakPolarHBondContact O-CG 3.3Å; E51-L55 PolarHBondContact O-N 2.77Å; L53-L55 PolarHBondContact O-N 3.2Å; L55-I57 HydrophobicContact CB-CD1 4.45Å; L55-I57 HydrophobicContact CB-CG1 4.21Å; L55-I57 HydrophobicContact CB-CG2 4.4Å; L55-I57 HydrophobicContact CD1-CD1 4.38Å; L55-F569 HydrophobicContact CD1-CB 3.92Å; L55-F569 HydrophobicContact CD1-CD2 4.27Å; L55-F569 HydrophobicContact CD1-CG 4.3Å; L55-F569 HydrophobicContact CD2-CB 4.37Å; L55-F569 HydrophobicContact CG-CB 4.46Å
56	G	96.8	Very high	97	Very high	49 Å²	49	56 Å²	56	51%	0.505	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.4	34.3	-179.5	0	0	0	0	0	114	R52 L53 Q54	R52-G56 PolarHBondContact O-N 3.14Å; L53-G56 PolarHBondContact O-N 3.07Å; L53-G56 VanDerWaalsContact O-N 3.13Å; Q54-G56 VanDerWaalsContact C-N 3.29Å
57	I	97.8	Very high	97	Very high	0 Å²	0	58 Å²	58	0%	0	35%	0.346	C	S	.	.			trans	-112.6	-0.1	179.9	61.7	171.6	0	0	0	113.2	G32 V35 T36 F47 R52 L55 G59 L60	G32-I57 WeakPolarHBondContact O-CG2 3.46Å; V35-I57 HydrophobicContact CB-CG2 4.34Å; T36-I57 HydrophobicContact CG2-CB 4.38Å; T36-I57 HydrophobicContact CG2-CG2 4.03Å; F47-I57 HydrophobicContact CB-CD1 4.33Å; F47-I57 HydrophobicContact CD1-CD1 4.22Å; F47-I57 HydrophobicContact CD2-CD1 3.47Å; F47-I57 VanDerWaalsContact CD2-CD1 3.47Å; F47-I57 HydrophobicContact CE1-CD1 4.38Å; F47-I57 HydrophobicContact CE2-CD1 3.68Å; F47-I57 HydrophobicContact CG-CD1 3.78Å; F47-I57 HydrophobicContact CZ-CD1 4.13Å; R52-I57 HydrophobicContact CB-CG1 3.95Å; R52-I57 HydrophobicContact CG-CD1 4.07Å; R52-I57 HydrophobicContact CG-CG1 3.95Å; R52-I57 PolarHBondContact O-N 2.89Å; L55-I57 HydrophobicContact CB-CD1 4.45Å; L55-I57 HydrophobicContact CB-CG1 4.21Å; L55-I57 HydrophobicContact CB-CG2 4.4Å; L55-I57 HydrophobicContact CD1-CD1 4.38Å; I57-G59 PolarHBondContact O-N 3.19Å; I57-L60 HydrophobicContact CB-CD1 4.4Å; I57-L60 HydrophobicContact CG2-CD1 4.4Å; I57-L60 WeakPolarHBondContact O-CB 3.45Å; I57-L60 PolarHBondContact O-N 3.41Å
58	H	97.9	Very high	97	Very high	111 Å²	111	59 Å²	59	51%	0.514	35%	0.35	S	S	.	.	B	Isolated β-bridge	trans	-57.6	130.4	173.1	-172.1	79.4	0	0	0	110.3	R52 L53	R52-H58 HydrophobicContact CB-CB 4.12Å; R52-H58 PolarHBondContact O-N 3.37Å; L53-H58 HydrophobicContact CD2-CB 4.03Å
59	G	97.1	Very high	97	Very high	68 Å²	68	61.3 Å²	61.3	70%	0.701	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.3	-17.4	-172.2	0	0	0	0	0	115.2	I57	I57-G59 PolarHBondContact O-N 3.19Å
60	L	97.5	Very high	97.1	Very high	100 Å²	100	60.4 Å²	60.4	52%	0.524	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-16	175.2	-56.9	-177.2	0	0	0	113.4	I57	I57-L60 HydrophobicContact CB-CD1 4.4Å; I57-L60 HydrophobicContact CG2-CD1 4.4Å; I57-L60 WeakPolarHBondContact O-CB 3.45Å; I57-L60 PolarHBondContact O-N 3.41Å
61	V	96.1	Very high	97.2	Very high	20 Å²	20	55.8 Å²	55.8	12%	0.121	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-120.6	142.5	-179.3	-178.6	0	0	0	0	108.3	M45	M45-V61 HydrophobicContact CB-CG1 4.42Å; M45-V61 HydrophobicContact CG-CG1 3.65Å
62	P	97.7	Very high	97.3	Very high	75 Å²	75	56.1 Å²	56.1	49%	0.487	34%	0.338	S	S	.	.			trans	-51.7	150.5	-180	-27.4	34.6	0	0	0	113.1	M45 R52 C64	M45-P62 HydrophobicContact SD-CB 3.8Å; M45-P62 HydrophobicContact SD-CG 3.94Å; R52-P62 PolarHBondContact NH1-O 2.94Å; P62-C64 PolarHBondContact O-N 3.37Å
63	P	97.1	Very high	97.4	Very high	128 Å²	128	60.3 Å²	60.3	83%	0.831	36%	0.361	S	S	*	.	S	Bend	trans	-77.1	49.2	-175.4	34.6	-38.1	0	0	0	112.4
64	C	96.8	Very high	97.4	Very high	59 Å²	59	61.1 Å²	61.1	40%	0.399	36%	0.356	S	S	.	.			trans	-135.1	141.5	177.3	-175	0	0	0	0	108.8	M45 R52 P62	M45-C64 HydrophobicContact SD-CB 4.22Å; R52-C64 PolarHBondContact NH2-O 2.85Å; P62-C64 PolarHBondContact O-N 3.37Å
65	F	97.9	Very high	97.6	Very high	102 Å²	102	58.4 Å²	58.4	45%	0.447	34%	0.344	S	S	.	.			trans	-120.6	119.8	-178.3	-54.1	-91	0	0	0	107.6	M45 F47 L49 R52	M45-F65 WeakPolarHBondContact O-CA 3.16Å; F47-F65 VanDerWaalsContact O-CD1 3.3Å; F47-F65 WeakPolarHBondContact O-CD1 3.47Å; L49-F65 HydrophobicContact CB-CE1 3.86Å; L49-F65 HydrophobicContact CB-CZ 3.91Å; L49-F65 HydrophobicContact CD1-CZ 4.13Å; R52-F65 VanDerWaalsContact NE-CE1 3.33Å; R52-F65 VanDerWaalsContact NH2-CD1 3.27Å
66	I	97.5	Very high	97.8	Very high	27 Å²	27	59.9 Å²	59.9	14%	0.138	35%	0.352	C	S	.	.			trans	-130.5	148	-174.1	61	170.5	0	0	0	111.2	M45 A46 V70 Q71	M45-I66 HydrophobicContact CB-CD1 4.16Å; M45-I66 HydrophobicContact CB-CG1 3.76Å; M45-I66 HydrophobicContact CE-CD1 3.66Å; M45-I66 HydrophobicContact CE-CG1 4.31Å; M45-I66 PolarHBondContact O-N 2.96Å; M45-I66 VanDerWaalsContact O-N 3.1Å; A46-I66 VanDerWaalsContact CA-O 3.28Å; A46-I66 WeakPolarHBondContact CA-O 3.49Å; A46-I66 WeakPolarHBondContact CB-O 3.47Å; I66-V70 HydrophobicContact CB-CB 4.08Å; I66-V70 HydrophobicContact CB-CG1 3.98Å; I66-V70 HydrophobicContact CD1-CB 4.5Å; I66-V70 HydrophobicContact CD1-CG1 4.05Å; I66-V70 HydrophobicContact CG2-CG1 4.08Å; I66-Q71 HydrophobicContact CD1-CB 4.49Å; I66-Q71 HydrophobicContact CD1-CG 3.43Å; I66-Q71 VanDerWaalsContact CD1-CG 3.43Å; I66-Q71 HydrophobicContact CG1-CG 3.88Å
67	S	97.8	Very high	97.8	Very high	64 Å²	64	63.7 Å²	63.7	45%	0.448	35%	0.354	S	S	.	.			trans	-69.5	162.4	173.2	67	0	0	0	0	111.4	D69 V70 Q71	S67-D69 PolarHBondContact O-N 2.9Å; S67-V70 PolarHBondContact O-N 2.65Å; S67-V70 PolarHBondContact OG-N 2.69Å; S67-Q71 PolarHBondContact O-N 2.98Å; S67-Q71 VanDerWaalsContact O-N 3.15Å
68	Q	97.9	Very high	97.9	Very high	20 Å²	20	66.8 Å²	66.8	9%	0.093	37%	0.371	C	S	.	.	H	α-helix	trans	-59.2	-34.8	174.4	-160.2	-179.3	37.3	0	0	111.7	V70 Q71 V72 L102 R105 T564 Y566	Q68-V70 PolarHBondContact O-N 3.04Å; Q68-Q71 CarbonylContact O-C 3.5Å; Q68-Q71 WeakPolarHBondContact O-CA 3.31Å; Q68-Q71 WeakPolarHBondContact O-CB 3.38Å; Q68-Q71 PolarHBondContact O-N 3.46Å; Q68-Q71 VanDerWaalsContact O-N 3.12Å; Q68-V72 WeakPolarHBondContact O-CG2 3.11Å; Q68-V72 PolarHBondContact O-N 3.06Å; Q68-L102 HydrophobicContact CG-CD1 4.15Å; Q68-R105 HydrophobicContact CG-CG 4.05Å; Q68-T564 PolarHBondContact NE2-O 3.45Å; Q68-Y566 HydrophobicContact CB-CD2 4.15Å; Q68-Y566 HydrophobicContact CB-CE2 3.73Å; Q68-Y566 HydrophobicContact CG-CD2 4.18Å; Q68-Y566 HydrophobicContact CG-CE2 3.55Å
69	D	98.2	Very high	97.9	Very high	93 Å²	93	62 Å²	62	50%	0.497	35%	0.348	S	S	.	.	H	α-helix	trans	-65.5	-36.6	177.6	-62.8	-32.5	0	0	0	112.8	S67 Q71 V72 L73 R105	S67-D69 PolarHBondContact O-N 2.9Å; D69-Q71 VanDerWaalsContact C-N 3.31Å; D69-V72 PolarHBondContact O-N 3.07Å; D69-L73 PolarHBondContact O-N 3.36Å; D69-R105 IonicContact OD1-CZ 2.73Å; D69-R105 IonicContact OD1-NE 3.08Å; D69-R105 IonicContact OD1-NH2 3.79Å; D69-R105 PolarHBondContact OD1-NH2 2.84Å
70	V	98.3	Very high	97.9	Very high	66 Å²	66	62.8 Å²	62.8	40%	0.4	34%	0.336	S	S	.	.	H	α-helix	trans	-68.5	-34.4	173.5	175	0	0	0	0	110.8	I66 S67 Q68 R74	I66-V70 HydrophobicContact CB-CB 4.08Å; I66-V70 HydrophobicContact CB-CG1 3.98Å; I66-V70 HydrophobicContact CD1-CB 4.5Å; I66-V70 HydrophobicContact CD1-CG1 4.05Å; I66-V70 HydrophobicContact CG2-CG1 4.08Å; S67-V70 PolarHBondContact O-N 2.65Å; S67-V70 PolarHBondContact OG-N 2.69Å; Q68-V70 PolarHBondContact O-N 3.04Å; V70-R74 PolarHBondContact O-N 3.22Å; V70-R74 VanDerWaalsContact O-N 3.11Å
71	Q	98.5	Very high	97.9	Very high	2 Å²	2	65.3 Å²	65.3	1%	0.009	35%	0.347	C	S	.	.	H	α-helix	trans	-64.6	-44.4	171.4	-67.2	177.2	-65.3	0	0	111.4	K43 E44 A46 I66 S67 Q68 D69 L73 R74 V75 L102 Y566	K43-Q71 PolarHBondContact O-NE2 3.11Å; E44-Q71 PolarHBondContact OE2-NE2 2.77Å; A46-Q71 VanDerWaalsContact CB-OE1 3.3Å; I66-Q71 HydrophobicContact CD1-CB 4.49Å; I66-Q71 HydrophobicContact CD1-CG 3.43Å; I66-Q71 VanDerWaalsContact CD1-CG 3.43Å; I66-Q71 HydrophobicContact CG1-CG 3.88Å; S67-Q71 PolarHBondContact O-N 2.98Å; S67-Q71 VanDerWaalsContact O-N 3.15Å; Q68-Q71 CarbonylContact O-C 3.5Å; Q68-Q71 WeakPolarHBondContact O-CA 3.31Å; Q68-Q71 WeakPolarHBondContact O-CB 3.38Å; Q68-Q71 PolarHBondContact O-N 3.46Å; Q68-Q71 VanDerWaalsContact O-N 3.12Å; D69-Q71 VanDerWaalsContact C-N 3.31Å; Q71-L73 PolarHBondContact O-N 3.45Å; Q71-R74 WeakPolarHBondContact O-CB 3.27Å; Q71-R74 PolarHBondContact O-N 3.44Å; Q71-V75 WeakPolarHBondContact O-CG2 3.24Å; Q71-V75 PolarHBondContact O-N 3.1Å; Q71-L102 HydrophobicContact CB-CD1 3.62Å; Q71-L102 HydrophobicContact CB-CD2 3.74Å; Q71-L102 HydrophobicContact CB-CG 4.35Å; Q71-L102 HydrophobicContact CG-CD2 4.42Å; Q71-Y566 PolarHBondContact NE2-OH 3.11Å; Q71-Y566 VanDerWaalsContact OE1-CE2 3.24Å; Q71-Y566 PolarHBondContact OE1-OH 2.94Å
72	V	98.6	Very high	98	Very high	13 Å²	13	67.1 Å²	67.1	8%	0.079	35%	0.354	C	S	.	.	H	α-helix	trans	-56.6	-51.3	174.5	171.4	0	0	0	0	109.9	Q68 D69 R74 V75 L76 L102 R105 V106	Q68-V72 WeakPolarHBondContact O-CG2 3.11Å; Q68-V72 PolarHBondContact O-N 3.06Å; D69-V72 PolarHBondContact O-N 3.07Å; V72-R74 PolarHBondContact O-N 3.14Å; V72-V75 WeakPolarHBondContact O-CA 3.45Å; V72-V75 WeakPolarHBondContact O-CB 3.42Å; V72-V75 PolarHBondContact O-N 3.37Å; V72-L76 HydrophobicContact CG1-CD1 3.97Å; V72-L76 HydrophobicContact CG1-CG 4.11Å; V72-L76 WeakPolarHBondContact O-CG 3.26Å; V72-L76 PolarHBondContact O-N 3.02Å; V72-L102 HydrophobicContact CG2-CD1 3.89Å; V72-R105 HydrophobicContact CG2-CB 4.49Å; V72-R105 HydrophobicContact CG2-CG 3.64Å; V72-V106 HydrophobicContact CB-CG2 4.47Å; V72-V106 HydrophobicContact CG1-CG2 4.36Å; V72-V106 HydrophobicContact CG2-CG2 4.05Å
73	L	98.3	Very high	97.9	Very high	92 Å²	92	74 Å²	74	48%	0.482	37%	0.37	S	S	.	.	H	α-helix	trans	-54.2	-40.4	177.8	179.3	63.1	0	0	0	112.5	D69 Q71 K77	D69-L73 PolarHBondContact O-N 3.36Å; Q71-L73 PolarHBondContact O-N 3.45Å; L73-K77 WeakPolarHBondContact O-CG 3.3Å; L73-K77 PolarHBondContact O-N 3.2Å
74	R	98.2	Very high	97.9	Very high	123 Å²	123	71.6 Å²	71.6	46%	0.464	35%	0.35	S	S	.	.	H	α-helix	trans	-66.2	-42.8	176.2	-177.2	-176.3	-59.6	-164.9	-2.9	112.1	M45 V70 Q71 V72 N78	M45-R74 VanDerWaalsContact CE-CZ 3.46Å; V70-R74 PolarHBondContact O-N 3.22Å; V70-R74 VanDerWaalsContact O-N 3.11Å; Q71-R74 WeakPolarHBondContact O-CB 3.27Å; Q71-R74 PolarHBondContact O-N 3.44Å; V72-R74 PolarHBondContact O-N 3.14Å; R74-N78 PolarHBondContact O-N 2.8Å; R74-N78 VanDerWaalsContact O-N 3.13Å; R74-N78 PolarHBondContact O-ND2 3.34Å
75	V	98.6	Very high	97.9	Very high	6 Å²	6	72.1 Å²	72.1	4%	0.036	35%	0.349	C	S	.	.	H	α-helix	trans	-61.3	-47.2	176.6	173.7	0	0	0	0	109.8	Q71 V72 K77 N78 Y79 F91 L95 L102 V106	Q71-V75 WeakPolarHBondContact O-CG2 3.24Å; Q71-V75 PolarHBondContact O-N 3.1Å; V72-V75 WeakPolarHBondContact O-CA 3.45Å; V72-V75 WeakPolarHBondContact O-CB 3.42Å; V72-V75 PolarHBondContact O-N 3.37Å; V75-K77 PolarHBondContact O-N 3.38Å; V75-N78 PolarHBondContact O-N 2.79Å; V75-N78 VanDerWaalsContact O-N 3.14Å; V75-Y79 WeakPolarHBondContact O-CB 3.24Å; V75-Y79 PolarHBondContact O-N 3.41Å; V75-F91 HydrophobicContact CG1-CE1 3.71Å; V75-F91 HydrophobicContact CG1-CZ 4.03Å; V75-L95 HydrophobicContact CG1-CD2 3.78Å; V75-L95 HydrophobicContact CG2-CD1 4.3Å; V75-L95 HydrophobicContact CG2-CD2 4Å; V75-L102 HydrophobicContact CG2-CD2 4.14Å; V75-L102 HydrophobicContact CG2-CG 4.45Å; V75-V106 HydrophobicContact CB-CG2 4.03Å; V75-V106 HydrophobicContact CG1-CG1 4.04Å; V75-V106 HydrophobicContact CG1-CG2 3.85Å; V75-V106 HydrophobicContact CG2-CG2 4.33Å
76	L	98.4	Very high	97.9	Very high	40 Å²	40	68.1 Å²	68.1	21%	0.209	33%	0.332	C	S	.	.	H	α-helix	trans	-57.5	-49.3	178.3	-64.5	-179	0	0	0	111.9	V72 N78 Y79 D80 F114	V72-L76 HydrophobicContact CG1-CD1 3.97Å; V72-L76 HydrophobicContact CG1-CG 4.11Å; V72-L76 WeakPolarHBondContact O-CG 3.26Å; V72-L76 PolarHBondContact O-N 3.02Å; L76-N78 VanDerWaalsContact C-N 3.28Å; L76-N78 PolarHBondContact O-N 3.14Å; L76-Y79 WeakPolarHBondContact O-CB 3.31Å; L76-Y79 PolarHBondContact O-N 2.83Å; L76-Y79 VanDerWaalsContact O-N 3.11Å; L76-D80 PolarHBondContact O-N 3.24Å; L76-F114 HydrophobicContact CD2-CE1 4.35Å; L76-F114 HydrophobicContact CD2-CE2 4.21Å; L76-F114 HydrophobicContact CD2-CZ 3.45Å; L76-F114 VanDerWaalsContact CD2-CZ 3.45Å
77	K	98.3	Very high	97.9	Very high	128 Å²	128	69.8 Å²	69.8	56%	0.557	34%	0.341	S	S	*	.	H	α-helix	trans	-58.4	-38.8	176.4	-72.9	-175.3	179.4	-172.3	0	113	L73 V75 M81	L73-K77 WeakPolarHBondContact O-CG 3.3Å; L73-K77 PolarHBondContact O-N 3.2Å; V75-K77 PolarHBondContact O-N 3.38Å; K77-M81 VanDerWaalsContact O-CG 3.3Å; K77-M81 WeakPolarHBondContact O-CG 3.32Å; K77-M81 PolarHBondContact O-N 3.12Å
78	N	98.4	Very high	97.9	Very high	66 Å²	66	69.6 Å²	69.6	35%	0.353	33%	0.331	S	S	.	.	H	α-helix	trans	-72.4	-36.5	177.4	-84.1	-93.5	0	0	0	112.3	R74 V75 L76 M81 K82 F91	R74-N78 PolarHBondContact O-N 2.8Å; R74-N78 VanDerWaalsContact O-N 3.13Å; R74-N78 PolarHBondContact O-ND2 3.34Å; V75-N78 PolarHBondContact O-N 2.79Å; V75-N78 VanDerWaalsContact O-N 3.14Å; L76-N78 VanDerWaalsContact C-N 3.28Å; L76-N78 PolarHBondContact O-N 3.14Å; N78-M81 PolarHBondContact O-N 2.81Å; N78-K82 VanDerWaalsContact O-CE 3.24Å; N78-K82 WeakPolarHBondContact O-CE 3.42Å; N78-K82 WeakPolarHBondContact O-CG 3.34Å; N78-F91 HydrophobicContact CB-CE1 4.18Å; N78-F91 HydrophobicContact CB-CE2 3.85Å; N78-F91 HydrophobicContact CB-CZ 3.47Å; N78-F91 VanDerWaalsContact CB-CZ 3.47Å
79	Y	98.3	Very high	97.9	Very high	9 Å²	9	69 Å²	69	4%	0.035	33%	0.328	C	S	.	.	H	α-helix	trans	-63.1	-43.1	176.1	175.9	-85.7	0	0	0	111.1	V75 L76 M81 K82 R88 F91 L92 F114 I117	V75-Y79 WeakPolarHBondContact O-CB 3.24Å; V75-Y79 PolarHBondContact O-N 3.41Å; L76-Y79 WeakPolarHBondContact O-CB 3.31Å; L76-Y79 PolarHBondContact O-N 2.83Å; L76-Y79 VanDerWaalsContact O-N 3.11Å; Y79-M81 PolarHBondContact O-N 2.74Å; Y79-K82 VanDerWaalsContact O-CB 3.29Å; Y79-K82 WeakPolarHBondContact O-CB 3.48Å; Y79-K82 WeakPolarHBondContact O-CG 3.49Å; Y79-K82 PolarHBondContact O-N 3.18Å; Y79-R88 HydrophobicContact CD2-CB 4.11Å; Y79-R88 HydrophobicContact CD2-CG 4.02Å; Y79-R88 HydrophobicContact CE1-CG 4.45Å; Y79-R88 HydrophobicContact CE2-CB 3.62Å; Y79-R88 HydrophobicContact CE2-CG 3.69Å; Y79-F91 HydrophobicContact CD2-CD1 4.41Å; Y79-L92 HydrophobicContact CD2-CD1 4.37Å; Y79-L92 HydrophobicContact CD2-CD2 4.28Å; Y79-L92 HydrophobicContact CD2-CG 4.28Å; Y79-L92 HydrophobicContact CE2-CD1 4Å; Y79-L92 HydrophobicContact CE2-CG 4.37Å; Y79-F114 HydrophobicContact CD1-CE1 4.24Å; Y79-F114 HydrophobicContact CD2-CD1 4.49Å; Y79-F114 HydrophobicContact CD2-CE1 4.08Å; Y79-F114 HydrophobicContact CE1-CE1 4.06Å; Y79-F114 AromaticContact CE2-CD1 3.94Å; Y79-F114 HydrophobicContact CE2-CD1 3.94Å; Y79-F114 AromaticContact CE2-CE1 3.86Å; Y79-F114 HydrophobicContact CE2-CE1 3.86Å; Y79-F114 HydrophobicContact CG-CE1 4.25Å; Y79-F114 AromaticContact CZ-CE1 3.85Å; Y79-I117 HydrophobicContact CE2-CG1 4.36Å; Y79-I117 WeakPolarHBondContact OH-CG1 3.44Å
80	D	97.3	Very high	97.9	Very high	85 Å²	85	65.5 Å²	65.5	46%	0.455	31%	0.309	S	S	.	.	H	α-helix	trans	-65.2	-27.5	178.3	-64.5	-21.5	0	0	0	112.7	L76 K82 R113	L76-D80 PolarHBondContact O-N 3.24Å; D80-K82 VanDerWaalsContact C-N 3.28Å; D80-K82 PolarHBondContact O-N 3.17Å; D80-R113 IonicContact OD1-CZ 2.69Å; D80-R113 IonicContact OD1-NH1 2.71Å; D80-R113 IonicContact OD1-NH2 3.11Å; D80-R113 PolarHBondContact OD1-NH2 2.77Å
81	M	97.6	Very high	97.9	Very high	153 Å²	153	64 Å²	64	75%	0.754	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-6	175.6	-68.4	177.2	70.7	0	0	113.8	K77 N78 Y79	K77-M81 VanDerWaalsContact O-CG 3.3Å; K77-M81 WeakPolarHBondContact O-CG 3.32Å; K77-M81 PolarHBondContact O-N 3.12Å; N78-M81 PolarHBondContact O-N 2.81Å; Y79-M81 PolarHBondContact O-N 2.74Å
82	K	98.2	Very high	97.9	Very high	58 Å²	58	63.9 Å²	63.9	25%	0.252	30%	0.297	S	S	.	.			trans	-75.2	143.4	177.6	-58.3	-51.7	170.7	-167.4	0	110.8	N78 Y79 D80 D87 R88 F91	N78-K82 VanDerWaalsContact O-CE 3.24Å; N78-K82 WeakPolarHBondContact O-CE 3.42Å; N78-K82 WeakPolarHBondContact O-CG 3.34Å; Y79-K82 VanDerWaalsContact O-CB 3.29Å; Y79-K82 WeakPolarHBondContact O-CB 3.48Å; Y79-K82 WeakPolarHBondContact O-CG 3.49Å; Y79-K82 PolarHBondContact O-N 3.18Å; D80-K82 VanDerWaalsContact C-N 3.28Å; D80-K82 PolarHBondContact O-N 3.17Å; K82-D87 HydrophobicContact CB-CB 4.02Å; K82-D87 HydrophobicContact CD-CB 4.49Å; K82-R88 HydrophobicContact CB-CG 3.52Å; K82-R88 HydrophobicContact CG-CG 4.06Å; K82-R88 PolarHBondContact O-NH2 3.21Å; K82-F91 HydrophobicContact CD-CB 4.36Å; K82-F91 HydrophobicContact CG-CB 4.39Å
83	R	96.6	Very high	97.8	Very high	220 Å²	220	64.8 Å²	64.8	83%	0.83	30%	0.301	S	S	*	.	S	Bend	trans	-74.3	-43.7	-168.3	-62.2	173.7	177.4	177.6	-0.7	112
84	D	97.1	Very high	97.7	Very high	78 Å²	78	61.6 Å²	61.6	42%	0.417	29%	0.29	S	S	.	.	S	Bend	trans	-144.7	177.9	-176.7	57.7	47.3	0	0	0	111	L86 D87 R88	D84-L86 VanDerWaalsContact C-N 3.29Å; D84-L86 PolarHBondContact O-N 3.22Å; D84-L86 WeakPolarHBondContact OD1-CB 3.49Å; D84-L86 PolarHBondContact OD1-N 3.5Å; D84-L86 VanDerWaalsContact OD1-N 3.08Å; D84-D87 PolarHBondContact O-N 3.38Å; D84-D87 PolarHBondContact OD1-N 2.8Å; D84-R88 VanDerWaalsContact O-CG 3.3Å; D84-R88 WeakPolarHBondContact O-CG 3.47Å; D84-R88 PolarHBondContact O-N 2.82Å; D84-R88 VanDerWaalsContact O-N 3.07Å
85	D	96.3	Very high	97.7	Very high	69 Å²	69	55.7 Å²	55.7	37%	0.369	27%	0.268	S	S	.	.	H	α-helix	trans	-69.4	-26.4	-176.8	-67.5	-22.6	0	0	0	113.2	R88 Y89 I117 T122	D85-R88 WeakPolarHBondContact O-CB 3.17Å; D85-R88 PolarHBondContact O-N 3.11Å; D85-R88 WeakPolarHBondContact OD1-CD 3.35Å; D85-R88 IonicContact OD1-CZ 3.3Å; D85-R88 IonicContact OD1-NH1 2.64Å; D85-R88 PolarHBondContact OD1-NH1 3.38Å; D85-Y89 WeakPolarHBondContact O-CB 3.29Å; D85-Y89 PolarHBondContact O-N 3.14Å; D85-I117 HydrophobicContact CB-CD1 3.79Å; D85-I117 WeakPolarHBondContact OD1-CD1 3.38Å; D85-T122 HydrophobicContact CB-CG2 3.84Å; D85-T122 VanDerWaalsContact O-CG2 3.31Å; D85-T122 WeakPolarHBondContact O-CG2 3.5Å
86	L	96.8	Very high	97.7	Very high	19 Å²	19	55.8 Å²	55.8	10%	0.099	27%	0.268	C	S	.	.	H	α-helix	trans	-70.2	-44.3	174.7	-177.5	67.5	0	0	0	111	D84 R88 Y89 V90 L125 A126 I133	D84-L86 VanDerWaalsContact C-N 3.29Å; D84-L86 PolarHBondContact O-N 3.22Å; D84-L86 WeakPolarHBondContact OD1-CB 3.49Å; D84-L86 PolarHBondContact OD1-N 3.5Å; D84-L86 VanDerWaalsContact OD1-N 3.08Å; L86-R88 PolarHBondContact O-N 2.84Å; L86-Y89 WeakPolarHBondContact O-CB 3.36Å; L86-Y89 PolarHBondContact O-N 2.89Å; L86-V90 WeakPolarHBondContact O-CG2 3.49Å; L86-V90 PolarHBondContact O-N 3Å; L86-L125 HydrophobicContact CB-CD2 4.14Å; L86-L125 HydrophobicContact CD1-CG 4.46Å; L86-A126 HydrophobicContact CD1-CB 4.04Å; L86-I133 HydrophobicContact CD1-CD1 4.17Å
87	D	97.5	Very high	97.6	Very high	62 Å²	62	54.8 Å²	54.8	33%	0.332	26%	0.263	S	S	.	.	H	α-helix	trans	-59.7	-38.1	172.8	-89.9	-9.2	0	0	0	111.4	K82 D84 F91	K82-D87 HydrophobicContact CB-CB 4.02Å; K82-D87 HydrophobicContact CD-CB 4.49Å; D84-D87 PolarHBondContact O-N 3.38Å; D84-D87 PolarHBondContact OD1-N 2.8Å; D87-F91 VanDerWaalsContact O-CB 3.27Å; D87-F91 WeakPolarHBondContact O-CB 3.47Å; D87-F91 PolarHBondContact O-N 3.39Å
88	R	98.4	Very high	97.5	Very high	60 Å²	60	53.1 Å²	53.1	23%	0.226	25%	0.253	C	S	.	.	H	α-helix	trans	-65.2	-45.3	174.1	-70.7	167.9	-176.2	141.8	8	111.7	Y79 K82 D84 D85 L86 F91 L92 I117	Y79-R88 HydrophobicContact CD2-CB 4.11Å; Y79-R88 HydrophobicContact CD2-CG 4.02Å; Y79-R88 HydrophobicContact CE1-CG 4.45Å; Y79-R88 HydrophobicContact CE2-CB 3.62Å; Y79-R88 HydrophobicContact CE2-CG 3.69Å; K82-R88 HydrophobicContact CB-CG 3.52Å; K82-R88 HydrophobicContact CG-CG 4.06Å; K82-R88 PolarHBondContact O-NH2 3.21Å; D84-R88 VanDerWaalsContact O-CG 3.3Å; D84-R88 WeakPolarHBondContact O-CG 3.47Å; D84-R88 PolarHBondContact O-N 2.82Å; D84-R88 VanDerWaalsContact O-N 3.07Å; D85-R88 WeakPolarHBondContact O-CB 3.17Å; D85-R88 PolarHBondContact O-N 3.11Å; D85-R88 WeakPolarHBondContact OD1-CD 3.35Å; D85-R88 IonicContact OD1-CZ 3.3Å; D85-R88 IonicContact OD1-NH1 2.64Å; D85-R88 PolarHBondContact OD1-NH1 3.38Å; L86-R88 PolarHBondContact O-N 2.84Å; R88-F91 WeakPolarHBondContact O-CB 3.31Å; R88-F91 PolarHBondContact O-N 2.81Å; R88-L92 WeakPolarHBondContact O-CG 3.27Å; R88-L92 PolarHBondContact O-N 3.3Å; R88-I117 HydrophobicContact CB-CG2 3.87Å
89	Y	98	Very high	97.5	Very high	8 Å²	8	50 Å²	50	3%	0.031	24%	0.237	C	C	.	.	H	α-helix	trans	-57.4	-53.8	175.1	172.6	-94.1	0	0	0	111	D85 L86 F91 L92 I93 I117 V123 A126 I133	D85-Y89 WeakPolarHBondContact O-CB 3.29Å; D85-Y89 PolarHBondContact O-N 3.14Å; L86-Y89 WeakPolarHBondContact O-CB 3.36Å; L86-Y89 PolarHBondContact O-N 2.89Å; Y89-F91 PolarHBondContact O-N 2.94Å; Y89-L92 PolarHBondContact O-N 3.44Å; Y89-L92 VanDerWaalsContact O-N 3.07Å; Y89-I93 HydrophobicContact CD1-CG1 4.09Å; Y89-I93 HydrophobicContact CD2-CG1 4.16Å; Y89-I93 HydrophobicContact CE1-CG1 3.67Å; Y89-I93 HydrophobicContact CE2-CD1 3.9Å; Y89-I93 HydrophobicContact CE2-CG1 3.81Å; Y89-I93 HydrophobicContact CG-CG1 4.33Å; Y89-I93 WeakPolarHBondContact O-CG1 3.39Å; Y89-I93 PolarHBondContact O-N 3.16Å; Y89-I117 VanDerWaalsContact CD2-O 3.26Å; Y89-I117 WeakPolarHBondContact CD2-O 3.49Å; Y89-V123 HydrophobicContact CE2-CG2 4.3Å; Y89-A126 HydrophobicContact CD1-CB 3.51Å; Y89-A126 HydrophobicContact CD2-CB 4.33Å; Y89-A126 HydrophobicContact CE1-CB 3.33Å; Y89-A126 HydrophobicContact CE2-CB 4.16Å; Y89-A126 HydrophobicContact CG-CB 4.01Å; Y89-I133 HydrophobicContact CD1-CD1 4.21Å; Y89-I133 HydrophobicContact CE1-CD1 3.99Å
90	V	97.5	Very high	97.5	Very high	18 Å²	18	49.7 Å²	49.7	11%	0.109	24%	0.236	C	C	.	.	H	α-helix	trans	-58.6	-37.8	-180	170.6	0	0	0	0	111.4	L86 G94 I133 R135	L86-V90 WeakPolarHBondContact O-CG2 3.49Å; L86-V90 PolarHBondContact O-N 3Å; V90-G94 PolarHBondContact O-N 2.98Å; V90-I133 HydrophobicContact CG2-CB 4.12Å; V90-I133 HydrophobicContact CG2-CD1 4.15Å; V90-I133 HydrophobicContact CG2-CG2 4.19Å; V90-R135 VanDerWaalsContact CG1-NH2 3.28Å
91	F	98.3	Very high	97.6	Very high	35 Å²	35	46.4 Å²	46.4	15%	0.154	22%	0.217	C	C	.	.	H	α-helix	trans	-65.4	-45.2	174.9	174	-108.7	0	0	0	112.9	V75 N78 Y79 K82 D87 R88 Y89 G94 L95	V75-F91 HydrophobicContact CG1-CE1 3.71Å; V75-F91 HydrophobicContact CG1-CZ 4.03Å; N78-F91 HydrophobicContact CB-CE1 4.18Å; N78-F91 HydrophobicContact CB-CE2 3.85Å; N78-F91 HydrophobicContact CB-CZ 3.47Å; N78-F91 VanDerWaalsContact CB-CZ 3.47Å; Y79-F91 HydrophobicContact CD2-CD1 4.41Å; K82-F91 HydrophobicContact CD-CB 4.36Å; K82-F91 HydrophobicContact CG-CB 4.39Å; D87-F91 VanDerWaalsContact O-CB 3.27Å; D87-F91 WeakPolarHBondContact O-CB 3.47Å; D87-F91 PolarHBondContact O-N 3.39Å; R88-F91 WeakPolarHBondContact O-CB 3.31Å; R88-F91 PolarHBondContact O-N 2.81Å; Y89-F91 PolarHBondContact O-N 2.94Å; F91-G94 PolarHBondContact O-N 3.13Å; F91-L95 PolarHBondContact O-N 3.38Å
92	L	98.3	Very high	97.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-69.1	-39.6	179.3	-70.2	-178.7	0	0	0	112.4	Y79 R88 Y89 G94 L95 M96 F103 V106 I107 F114 I117 I118	Y79-L92 HydrophobicContact CD2-CD1 4.37Å; Y79-L92 HydrophobicContact CD2-CD2 4.28Å; Y79-L92 HydrophobicContact CD2-CG 4.28Å; Y79-L92 HydrophobicContact CE2-CD1 4Å; Y79-L92 HydrophobicContact CE2-CG 4.37Å; R88-L92 WeakPolarHBondContact O-CG 3.27Å; R88-L92 PolarHBondContact O-N 3.3Å; Y89-L92 PolarHBondContact O-N 3.44Å; Y89-L92 VanDerWaalsContact O-N 3.07Å; L92-G94 VanDerWaalsContact C-N 3.31Å; L92-G94 PolarHBondContact O-N 3.39Å; L92-L95 WeakPolarHBondContact O-CA 3.27Å; L92-L95 WeakPolarHBondContact O-CB 3.39Å; L92-L95 PolarHBondContact O-N 2.93Å; L92-L95 VanDerWaalsContact O-N 3.07Å; L92-M96 PolarHBondContact O-N 3.04Å; L92-F103 HydrophobicContact CB-CE2 4.22Å; L92-F103 WeakPolarHBondContact O-CD2 3.28Å; L92-V106 HydrophobicContact CD2-CG1 4.43Å; L92-I107 HydrophobicContact CD1-CD1 4.18Å; L92-F114 HydrophobicContact CD1-CD1 4.15Å; L92-I117 HydrophobicContact CD1-CB 4.2Å; L92-I117 HydrophobicContact CD1-CG2 3.8Å; L92-I118 HydrophobicContact CB-CG2 4.22Å; L92-I118 HydrophobicContact CD1-CG2 3.71Å
93	I	97.1	Very high	97.7	Very high	31 Å²	31	36.4 Å²	36.4	16%	0.159	17%	0.17	C	C	.	.	H	α-helix	trans	-62.8	-41	172.6	-61.9	-56.3	0	0	0	110.7	Y89 L95 M96 D97	Y89-I93 HydrophobicContact CD1-CG1 4.09Å; Y89-I93 HydrophobicContact CD2-CG1 4.16Å; Y89-I93 HydrophobicContact CE1-CG1 3.67Å; Y89-I93 HydrophobicContact CE2-CD1 3.9Å; Y89-I93 HydrophobicContact CE2-CG1 3.81Å; Y89-I93 HydrophobicContact CG-CG1 4.33Å; Y89-I93 WeakPolarHBondContact O-CG1 3.39Å; Y89-I93 PolarHBondContact O-N 3.16Å; I93-L95 PolarHBondContact O-N 2.52Å; I93-M96 HydrophobicContact CD1-CE 3.7Å; I93-M96 HydrophobicContact CG2-CE 4.44Å; I93-M96 WeakPolarHBondContact O-CB 3.1Å; I93-M96 PolarHBondContact O-N 2.9Å; I93-M96 VanDerWaalsContact O-N 3.14Å; I93-D97 PolarHBondContact O-N 3.39Å
94	G	97.6	Very high	97.8	Very high	25 Å²	25	26.4 Å²	26.4	26%	0.258	13%	0.132	S	C	.	.	H	α-helix	trans	-63.8	-26.6	173	0	0	0	0	0	114	V90 F91 L92 R98	V90-G94 PolarHBondContact O-N 2.98Å; F91-G94 PolarHBondContact O-N 3.13Å; L92-G94 VanDerWaalsContact C-N 3.31Å; L92-G94 PolarHBondContact O-N 3.39Å; G94-R98 WeakPolarHBondContact O-CB 3.44Å; G94-R98 PolarHBondContact O-NH1 3.35Å
95	L	98.3	Very high	97.8	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-72.4	-46	170.2	173.4	63.4	0	0	0	110.9	V75 F91 L92 I93 D97 R98 N99 L102 F103 V106	V75-L95 HydrophobicContact CG1-CD2 3.78Å; V75-L95 HydrophobicContact CG2-CD1 4.3Å; V75-L95 HydrophobicContact CG2-CD2 4Å; F91-L95 PolarHBondContact O-N 3.38Å; L92-L95 WeakPolarHBondContact O-CA 3.27Å; L92-L95 WeakPolarHBondContact O-CB 3.39Å; L92-L95 PolarHBondContact O-N 2.93Å; L92-L95 VanDerWaalsContact O-N 3.07Å; I93-L95 PolarHBondContact O-N 2.52Å; L95-D97 PolarHBondContact O-N 2.88Å; L95-R98 PolarHBondContact O-N 3.31Å; L95-N99 PolarHBondContact O-N 2.94Å; L95-L102 HydrophobicContact CD1-CB 4.3Å; L95-L102 HydrophobicContact CD1-CD2 3.76Å; L95-L102 HydrophobicContact CD1-CG 3.95Å; L95-F103 HydrophobicContact CD2-CB 4.35Å; L95-F103 HydrophobicContact CG-CB 4.02Å; L95-F103 HydrophobicContact CG-CD2 4.5Å; L95-V106 HydrophobicContact CD2-CB 4.46Å; L95-V106 HydrophobicContact CD2-CG2 4.16Å
96	M	97.4	Very high	97.9	Very high	7 Å²	7	22.7 Å²	22.7	3%	0.034	11%	0.107	C	C	.	.	H	α-helix	trans	-56.3	-40.1	175	-166.1	172.6	56.5	0	0	111.7	P39 L92 I93 R98 F103 R138 V188	P39-M96 WeakPolarHBondContact CB-O 3.45Å; L92-M96 PolarHBondContact O-N 3.04Å; I93-M96 HydrophobicContact CD1-CE 3.7Å; I93-M96 HydrophobicContact CG2-CE 4.44Å; I93-M96 WeakPolarHBondContact O-CB 3.1Å; I93-M96 PolarHBondContact O-N 2.9Å; I93-M96 VanDerWaalsContact O-N 3.14Å; M96-R98 PolarHBondContact O-N 3.49Å; M96-F103 HydrophobicContact CB-CB 4.18Å; M96-F103 HydrophobicContact CB-CD1 4.03Å; M96-F103 HydrophobicContact CB-CD2 3.7Å; M96-F103 HydrophobicContact CB-CE1 4.34Å; M96-F103 HydrophobicContact CB-CE2 4.04Å; M96-F103 HydrophobicContact CB-CG 3.69Å; M96-F103 HydrophobicContact CB-CZ 4.35Å; M96-F103 HydrophobicContact CG-CB 4.49Å; M96-F103 HydrophobicContact CG-CD1 3.74Å; M96-F103 HydrophobicContact CG-CD2 4.33Å; M96-F103 HydrophobicContact CG-CE1 3.97Å; M96-F103 HydrophobicContact CG-CG 3.93Å; M96-F103 HydrophobicContact CG-CZ 4.36Å; M96-F103 HydrophobicContact SD-CD1 4Å; M96-F103 HydrophobicContact SD-CE1 3.59Å; M96-F103 VanDerWaalsContact SD-CE1 3.59Å; M96-F103 HydrophobicContact SD-CE2 4.43Å; M96-F103 HydrophobicContact SD-CZ 3.83Å; M96-R138 PolarHBondContact O-NH2 2.9Å; M96-V188 HydrophobicContact CE-CG1 3.88Å
97	D	96.1	Very high	98	Very high	20 Å²	20	21.8 Å²	21.8	11%	0.107	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-13.5	176.5	-71.5	-17.3	0	0	0	115	I93 L95 R136 R138	I93-D97 PolarHBondContact O-N 3.39Å; L95-D97 PolarHBondContact O-N 2.88Å; D97-R136 PolarHBondContact O-NH1 3.35Å; D97-R136 WeakPolarHBondContact OD2-CB 3.44Å; D97-R138 IonicContact OD1-CZ 2.7Å; D97-R138 IonicContact OD1-NE 3.32Å; D97-R138 PolarHBondContact OD1-NE 2.94Å; D97-R138 IonicContact OD1-NH2 3.72Å; D97-R138 PolarHBondContact OD1-NH2 3.47Å
98	R	97.3	Very high	98	Very high	92 Å²	92	21 Å²	21	35%	0.347	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-42.6	-172.3	-169.6	176.1	75.2	-112.6	1.9	112.4	N42 E44 G94 L95 M96	N42-R98 WeakPolarHBondContact CB-O 3.27Å; N42-R98 PolarHBondContact ND2-O 3.42Å; E44-R98 IonicContact OE1-CZ 2.74Å; E44-R98 VanDerWaalsContact OE1-CZ 3.3Å; E44-R98 IonicContact OE1-NE 2.75Å; E44-R98 PolarHBondContact OE1-NE 3.06Å; E44-R98 IonicContact OE1-NH2 3.54Å; E44-R98 PolarHBondContact OE1-NH2 2.77Å; G94-R98 WeakPolarHBondContact O-CB 3.44Å; G94-R98 PolarHBondContact O-NH1 3.35Å; L95-R98 PolarHBondContact O-N 3.31Å; M96-R98 PolarHBondContact O-N 3.49Å
99	N	98.4	Very high	97.9	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.107	C	C	.	.			trans	-155	101.4	-175.8	-177.8	-24.6	0	0	0	109.2	N42 E44 L95 K101 L102 F103 Y566	N42-N99 PolarHBondContact O-ND2 3.48Å; N42-N99 PolarHBondContact O-OD1 3.24Å; E44-N99 HydrophobicContact CG-CB 4.46Å; L95-N99 PolarHBondContact O-N 2.94Å; N99-K101 PolarHBondContact OD1-N 2.9Å; N99-L102 HydrophobicContact CB-CB 4.02Å; N99-L102 WeakPolarHBondContact ND2-CB 3.5Å; N99-L102 VanDerWaalsContact OD1-CB 3.29Å; N99-L102 WeakPolarHBondContact OD1-CB 3.19Å; N99-L102 PolarHBondContact OD1-N 3.44Å; N99-F103 WeakPolarHBondContact O-CB 3.47Å; N99-F103 PolarHBondContact O-N 3.15Å; N99-Y566 PolarHBondContact ND2-OH 3.35Å
100	E	98.2	Very high	97.8	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.019	12%	0.122	C	C	.	.	H	α-helix	trans	-70.3	-41.4	-172.6	-175.4	174.6	74.8	0	0	112.7	P39 H40 F103 Y104 P202 Q203	P39-E100 WeakPolarHBondContact O-CB 3.42Å; P39-E100 PolarHBondContact O-N 2.71Å; H40-E100 IonicContact CE1-OE1 3.05Å; H40-E100 IonicContact CE1-OE2 2.81Å; H40-E100 PolarHBondContact CE1-OE2 3.01Å; H40-E100 IonicContact CG-OE1 3.81Å; H40-E100 IonicContact ND1-OE1 3.9Å; H40-E100 PolarHBondContact ND1-OE1 3.3Å; H40-E100 IonicContact ND1-OE2 3.89Å; H40-E100 PolarHBondContact ND1-OE2 2.85Å; E100-F103 WeakPolarHBondContact O-CB 3.19Å; E100-F103 PolarHBondContact O-N 2.99Å; E100-Y104 HydrophobicContact CG-CD2 3.84Å; E100-Y104 HydrophobicContact CG-CE2 3.63Å; E100-Y104 VanDerWaalsContact O-CD2 3.23Å; E100-Y104 WeakPolarHBondContact O-CD2 3.17Å; E100-Y104 PolarHBondContact O-N 3.21Å; E100-P202 VanDerWaalsContact CD-CG 3.44Å; E100-P202 HydrophobicContact CG-CG 4.07Å; E100-P202 WeakPolarHBondContact OE1-CG 3.17Å; E100-Q203 PolarHBondContact OE1-NE2 2.78Å
101	K	98.4	Very high	97.7	Very high	16 Å²	16	23.3 Å²	23.3	7%	0.07	12%	0.121	C	C	.	.	H	α-helix	trans	-61.2	-45.8	176	-72.6	-85.6	-176	158.2	0	111.1	N99 Y104 R105 Y562 S563 D565 Y566 D567	N99-K101 PolarHBondContact OD1-N 2.9Å; K101-Y104 PolarHBondContact O-N 2.87Å; K101-R105 VanDerWaalsContact O-CB 3.29Å; K101-R105 WeakPolarHBondContact O-CB 3.3Å; K101-R105 PolarHBondContact O-N 2.74Å; K101-Y562 HydrophobicContact CD-CE2 4.36Å; K101-Y562 VanDerWaalsContact CD-OH 3.23Å; K101-Y562 WeakPolarHBondContact CD-OH 3.5Å; K101-Y562 WeakPolarHBondContact CG-OH 3.22Å; K101-S563 WeakPolarHBondContact CD-O 3.46Å; K101-S563 WeakPolarHBondContact CE-O 3.5Å; K101-S563 PolarHBondContact NZ-O 3.01Å; K101-D565 VanDerWaalsContact CD-O 3.28Å; K101-D565 WeakPolarHBondContact CD-O 3.48Å; K101-D565 WeakPolarHBondContact CE-O 3.32Å; K101-D565 PolarHBondContact NZ-O 3.36Å; K101-Y566 HydrophobicContact CB-CD1 3.73Å; K101-Y566 HydrophobicContact CB-CE1 3.65Å; K101-Y566 HydrophobicContact CG-CD1 4.15Å; K101-Y566 HydrophobicContact CG-CE1 4.49Å; K101-D567 WeakPolarHBondContact CE-OD2 3.39Å; K101-D567 IonicContact NZ-OD1 3.26Å; K101-D567 PolarHBondContact NZ-OD1 3.17Å; K101-D567 IonicContact NZ-OD2 3Å; K101-D567 PolarHBondContact NZ-OD2 3.01Å
102	L	98.8	Very high	97.4	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-66.7	-38.3	176.6	-177	59.8	0	0	0	112.5	Q68 Q71 V72 V75 L95 N99 R105 V106	Q68-L102 HydrophobicContact CG-CD1 4.15Å; Q71-L102 HydrophobicContact CB-CD1 3.62Å; Q71-L102 HydrophobicContact CB-CD2 3.74Å; Q71-L102 HydrophobicContact CB-CG 4.35Å; Q71-L102 HydrophobicContact CG-CD2 4.42Å; V72-L102 HydrophobicContact CG2-CD1 3.89Å; V75-L102 HydrophobicContact CG2-CD2 4.14Å; V75-L102 HydrophobicContact CG2-CG 4.45Å; L95-L102 HydrophobicContact CD1-CB 4.3Å; L95-L102 HydrophobicContact CD1-CD2 3.76Å; L95-L102 HydrophobicContact CD1-CG 3.95Å; N99-L102 HydrophobicContact CB-CB 4.02Å; N99-L102 WeakPolarHBondContact ND2-CB 3.5Å; N99-L102 VanDerWaalsContact OD1-CB 3.29Å; N99-L102 WeakPolarHBondContact OD1-CB 3.19Å; N99-L102 PolarHBondContact OD1-N 3.44Å; L102-R105 PolarHBondContact O-N 3.32Å; L102-V106 HydrophobicContact CD1-CG2 4.28Å; L102-V106 VanDerWaalsContact O-CG2 3.25Å; L102-V106 WeakPolarHBondContact O-CG2 3.29Å; L102-V106 PolarHBondContact O-N 3.16Å
103	F	98.8	Very high	97.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-54.7	-58.2	172.8	170.4	-102.9	0	0	0	110.4	L92 L95 M96 N99 E100 R105 V106 I107 I118 A192	L92-F103 HydrophobicContact CB-CE2 4.22Å; L92-F103 WeakPolarHBondContact O-CD2 3.28Å; L95-F103 HydrophobicContact CD2-CB 4.35Å; L95-F103 HydrophobicContact CG-CB 4.02Å; L95-F103 HydrophobicContact CG-CD2 4.5Å; M96-F103 HydrophobicContact CB-CB 4.18Å; M96-F103 HydrophobicContact CB-CD1 4.03Å; M96-F103 HydrophobicContact CB-CD2 3.7Å; M96-F103 HydrophobicContact CB-CE1 4.34Å; M96-F103 HydrophobicContact CB-CE2 4.04Å; M96-F103 HydrophobicContact CB-CG 3.69Å; M96-F103 HydrophobicContact CB-CZ 4.35Å; M96-F103 HydrophobicContact CG-CB 4.49Å; M96-F103 HydrophobicContact CG-CD1 3.74Å; M96-F103 HydrophobicContact CG-CD2 4.33Å; M96-F103 HydrophobicContact CG-CE1 3.97Å; M96-F103 HydrophobicContact CG-CG 3.93Å; M96-F103 HydrophobicContact CG-CZ 4.36Å; M96-F103 HydrophobicContact SD-CD1 4Å; M96-F103 HydrophobicContact SD-CE1 3.59Å; M96-F103 VanDerWaalsContact SD-CE1 3.59Å; M96-F103 HydrophobicContact SD-CE2 4.43Å; M96-F103 HydrophobicContact SD-CZ 3.83Å; N99-F103 WeakPolarHBondContact O-CB 3.47Å; N99-F103 PolarHBondContact O-N 3.15Å; E100-F103 WeakPolarHBondContact O-CB 3.19Å; E100-F103 PolarHBondContact O-N 2.99Å; F103-R105 VanDerWaalsContact C-N 3.33Å; F103-R105 PolarHBondContact O-N 3.4Å; F103-V106 WeakPolarHBondContact O-CB 3.09Å; F103-V106 PolarHBondContact O-N 3.07Å; F103-V106 VanDerWaalsContact O-N 3.09Å; F103-I107 HydrophobicContact CD1-CG1 4.42Å; F103-I107 HydrophobicContact CD2-CD1 4.43Å; F103-I107 HydrophobicContact CD2-CG1 4.29Å; F103-I107 HydrophobicContact CE1-CG1 4.07Å; F103-I107 HydrophobicContact CE2-CD1 3.89Å; F103-I107 HydrophobicContact CE2-CG1 3.93Å; F103-I107 HydrophobicContact CZ-CD1 4.11Å; F103-I107 HydrophobicContact CZ-CG1 3.82Å; F103-I107 WeakPolarHBondContact O-CG1 3.44Å; F103-I107 PolarHBondContact O-N 2.91Å; F103-I118 HydrophobicContact CE2-CG2 4.15Å; F103-I118 HydrophobicContact CZ-CD1 4.34Å; F103-I118 HydrophobicContact CZ-CG2 4.16Å; F103-A192 HydrophobicContact CE1-CB 4.33Å; F103-A192 HydrophobicContact CZ-CB 4.45Å
104	Y	98.6	Very high	97.2	Very high	10 Å²	10	29.2 Å²	29.2	4%	0.039	14%	0.144	C	C	.	.	H	α-helix	trans	-65.2	-34.9	-178.6	-72.7	-63.3	0	0	0	113	E100 K101 V106 I107 T108 A192 T195 A196 P202 Y562	E100-Y104 HydrophobicContact CG-CD2 3.84Å; E100-Y104 HydrophobicContact CG-CE2 3.63Å; E100-Y104 VanDerWaalsContact O-CD2 3.23Å; E100-Y104 WeakPolarHBondContact O-CD2 3.17Å; E100-Y104 PolarHBondContact O-N 3.21Å; K101-Y104 PolarHBondContact O-N 2.87Å; Y104-V106 VanDerWaalsContact C-N 3.28Å; Y104-V106 PolarHBondContact O-N 3.15Å; Y104-I107 PolarHBondContact O-N 3.37Å; Y104-T108 WeakPolarHBondContact O-CB 3.4Å; Y104-T108 WeakPolarHBondContact O-CG2 3.16Å; Y104-T108 PolarHBondContact O-N 2.74Å; Y104-T108 PolarHBondContact O-OG1 2.81Å; Y104-A192 HydrophobicContact CE1-CB 4.48Å; Y104-A192 WeakPolarHBondContact CE1-O 3.14Å; Y104-T195 HydrophobicContact CD1-CG2 3.61Å; Y104-T195 HydrophobicContact CD2-CG2 3.81Å; Y104-T195 VanDerWaalsContact CE1-CB 3.42Å; Y104-T195 HydrophobicContact CE1-CG2 3.47Å; Y104-T195 VanDerWaalsContact CE1-CG2 3.47Å; Y104-T195 HydrophobicContact CE2-CG2 3.66Å; Y104-T195 HydrophobicContact CG-CG2 3.79Å; Y104-T195 VanDerWaalsContact CZ-CB 3.49Å; Y104-T195 VanDerWaalsContact CZ-CG2 3.48Å; Y104-A196 HydrophobicContact CD1-CB 4.25Å; Y104-P202 HydrophobicContact CD2-CG 4.41Å; Y104-P202 HydrophobicContact CE2-CB 3.73Å; Y104-P202 HydrophobicContact CE2-CG 3.76Å; Y104-Y562 AromaticContact CD2-CE1 3.72Å; Y104-Y562 HydrophobicContact CD2-CE1 3.72Å; Y104-Y562 HydrophobicContact CG-CE1 4.02Å
105	R	98.5	Very high	97.1	Very high	69 Å²	69	28.1 Å²	28.1	26%	0.26	13%	0.133	S	C	.	.	H	α-helix	trans	-58.7	-39.2	172.9	-179.3	67.7	178.9	116.1	2.9	112.2	Q68 D69 V72 K101 L102 F103 T108 S109	Q68-R105 HydrophobicContact CG-CG 4.05Å; D69-R105 IonicContact OD1-CZ 2.73Å; D69-R105 IonicContact OD1-NE 3.08Å; D69-R105 IonicContact OD1-NH2 3.79Å; D69-R105 PolarHBondContact OD1-NH2 2.84Å; V72-R105 HydrophobicContact CG2-CB 4.49Å; V72-R105 HydrophobicContact CG2-CG 3.64Å; K101-R105 VanDerWaalsContact O-CB 3.29Å; K101-R105 WeakPolarHBondContact O-CB 3.3Å; K101-R105 PolarHBondContact O-N 2.74Å; L102-R105 PolarHBondContact O-N 3.32Å; F103-R105 VanDerWaalsContact C-N 3.33Å; F103-R105 PolarHBondContact O-N 3.4Å; R105-T108 PolarHBondContact O-OG1 3.24Å; R105-S109 WeakPolarHBondContact O-CB 3.44Å; R105-S109 PolarHBondContact O-N 3.35Å; R105-S109 VanDerWaalsContact O-N 3.15Å
106	V	98.6	Very high	96.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-68.9	-50.3	176.4	170.1	0	0	0	0	109.9	V72 V75 L92 L95 L102 F103 Y104 T108 S109 F114	V72-V106 HydrophobicContact CB-CG2 4.47Å; V72-V106 HydrophobicContact CG1-CG2 4.36Å; V72-V106 HydrophobicContact CG2-CG2 4.05Å; V75-V106 HydrophobicContact CB-CG2 4.03Å; V75-V106 HydrophobicContact CG1-CG1 4.04Å; V75-V106 HydrophobicContact CG1-CG2 3.85Å; V75-V106 HydrophobicContact CG2-CG2 4.33Å; L92-V106 HydrophobicContact CD2-CG1 4.43Å; L95-V106 HydrophobicContact CD2-CB 4.46Å; L95-V106 HydrophobicContact CD2-CG2 4.16Å; L102-V106 HydrophobicContact CD1-CG2 4.28Å; L102-V106 VanDerWaalsContact O-CG2 3.25Å; L102-V106 WeakPolarHBondContact O-CG2 3.29Å; L102-V106 PolarHBondContact O-N 3.16Å; F103-V106 WeakPolarHBondContact O-CB 3.09Å; F103-V106 PolarHBondContact O-N 3.07Å; F103-V106 VanDerWaalsContact O-N 3.09Å; Y104-V106 VanDerWaalsContact C-N 3.28Å; Y104-V106 PolarHBondContact O-N 3.15Å; V106-T108 VanDerWaalsContact C-N 3.33Å; V106-T108 PolarHBondContact O-N 2.88Å; V106-S109 WeakPolarHBondContact O-CB 3.15Å; V106-S109 PolarHBondContact O-N 3.48Å; V106-S109 VanDerWaalsContact O-N 3.11Å; V106-S109 PolarHBondContact O-OG 3.38Å; V106-F114 HydrophobicContact CG1-CD2 4.26Å; V106-F114 HydrophobicContact CG1-CE1 4.23Å; V106-F114 HydrophobicContact CG1-CE2 3.9Å; V106-F114 HydrophobicContact CG1-CZ 3.91Å; V106-F114 WeakPolarHBondContact O-CD2 3.34Å; V106-F114 WeakPolarHBondContact O-CE2 3.43Å
107	I	98.1	Very high	96.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-58.1	-44.5	179.8	-55.1	-52.5	0	0	0	111.5	L92 F103 Y104 S109 D110 V111 F114 I118 A196	L92-I107 HydrophobicContact CD1-CD1 4.18Å; F103-I107 HydrophobicContact CD1-CG1 4.42Å; F103-I107 HydrophobicContact CD2-CD1 4.43Å; F103-I107 HydrophobicContact CD2-CG1 4.29Å; F103-I107 HydrophobicContact CE1-CG1 4.07Å; F103-I107 HydrophobicContact CE2-CD1 3.89Å; F103-I107 HydrophobicContact CE2-CG1 3.93Å; F103-I107 HydrophobicContact CZ-CD1 4.11Å; F103-I107 HydrophobicContact CZ-CG1 3.82Å; F103-I107 WeakPolarHBondContact O-CG1 3.44Å; F103-I107 PolarHBondContact O-N 2.91Å; Y104-I107 PolarHBondContact O-N 3.37Å; I107-S109 VanDerWaalsContact C-N 3.29Å; I107-S109 PolarHBondContact O-N 2.89Å; I107-D110 CarbonylContact O-C 3.54Å; I107-D110 PolarHBondContact O-N 3.14Å; I107-V111 WeakPolarHBondContact O-CA 3.29Å; I107-V111 PolarHBondContact O-N 2.7Å; I107-F114 HydrophobicContact CD1-CB 3.64Å; I107-F114 HydrophobicContact CD1-CG 4.15Å; I107-F114 HydrophobicContact CG2-CB 4.32Å; I107-I118 HydrophobicContact CD1-CD1 4.07Å; I107-I118 HydrophobicContact CD1-CG2 3.76Å; I107-I118 HydrophobicContact CG1-CD1 4.1Å; I107-I118 HydrophobicContact CG2-CD1 3.77Å; I107-A196 HydrophobicContact CB-CB 4.48Å; I107-A196 HydrophobicContact CG2-CB 3.75Å
108	T	96.9	Very high	96.8	Very high	46 Å²	46	28.7 Å²	28.7	28%	0.282	14%	0.138	S	C	.	.	H	α-helix	trans	-77	-12.6	-179.2	60.3	0	0	0	0	113.7	Y104 R105 V106 D110 A196 T564	Y104-T108 WeakPolarHBondContact O-CB 3.4Å; Y104-T108 WeakPolarHBondContact O-CG2 3.16Å; Y104-T108 PolarHBondContact O-N 2.74Å; Y104-T108 PolarHBondContact O-OG1 2.81Å; R105-T108 PolarHBondContact O-OG1 3.24Å; V106-T108 VanDerWaalsContact C-N 3.33Å; V106-T108 PolarHBondContact O-N 2.88Å; T108-D110 VanDerWaalsContact C-N 3.3Å; T108-A196 HydrophobicContact CG2-CB 4.47Å; T108-T564 HydrophobicContact CG2-CG2 4.46Å
109	S	96.8	Very high	96.6	Very high	53 Å²	53	25 Å²	25	37%	0.371	12%	0.124	S	C	.	.	H	α-helix	trans	-69.8	-28.4	174.3	72.7	0	0	0	0	112.9	R105 V106 I107	R105-S109 WeakPolarHBondContact O-CB 3.44Å; R105-S109 PolarHBondContact O-N 3.35Å; R105-S109 VanDerWaalsContact O-N 3.15Å; V106-S109 WeakPolarHBondContact O-CB 3.15Å; V106-S109 PolarHBondContact O-N 3.48Å; V106-S109 VanDerWaalsContact O-N 3.11Å; V106-S109 PolarHBondContact O-OG 3.38Å; I107-S109 VanDerWaalsContact C-N 3.29Å; I107-S109 PolarHBondContact O-N 2.89Å
110	D	96.4	Very high	96	Very high	66 Å²	66	26.7 Å²	26.7	35%	0.353	13%	0.134	S	C	.	.			trans	-159.2	79.2	178	-172	-14.3	0	0	0	109.5	I107 T108 E112 R113 F114	I107-D110 CarbonylContact O-C 3.54Å; I107-D110 PolarHBondContact O-N 3.14Å; T108-D110 VanDerWaalsContact C-N 3.3Å; D110-E112 VanDerWaalsContact C-N 3.25Å; D110-E112 PolarHBondContact O-N 3.44Å; D110-R113 HydrophobicContact CB-CB 4.01Å; D110-R113 PolarHBondContact O-N 2.67Å; D110-R113 WeakPolarHBondContact OD1-CB 3.35Å; D110-R113 PolarHBondContact OD1-N 3.36Å; D110-R113 VanDerWaalsContact OD1-N 3.12Å; D110-R113 VanDerWaalsContact OD2-CB 3.28Å; D110-R113 WeakPolarHBondContact OD2-CB 3.21Å; D110-R113 WeakPolarHBondContact OD2-CD 3.37Å; D110-F114 HydrophobicContact CB-CD2 4.15Å; D110-F114 HydrophobicContact CB-CE2 3.84Å; D110-F114 WeakPolarHBondContact O-CD2 3.26Å; D110-F114 PolarHBondContact O-N 3.42Å; D110-F114 VanDerWaalsContact O-N 3.11Å
111	V	94.6	Very high	95.5	Very high	14 Å²	14	29.8 Å²	29.8	9%	0.085	15%	0.154	C	C	.	.	H	α-helix	trans	-63.6	-33.1	-174.1	73.1	0	0	0	0	112.2	I107 R113 F114 M115 L520 I523	I107-V111 WeakPolarHBondContact O-CA 3.29Å; I107-V111 PolarHBondContact O-N 2.7Å; V111-R113 VanDerWaalsContact C-N 3.29Å; V111-R113 PolarHBondContact O-N 2.78Å; V111-F114 PolarHBondContact O-N 3.02Å; V111-M115 HydrophobicContact CG2-CB 4.26Å; V111-M115 WeakPolarHBondContact O-CB 3Å; V111-M115 PolarHBondContact O-N 3.19Å; V111-L520 HydrophobicContact CG1-CB 4.46Å; V111-L520 VanDerWaalsContact CG1-O 3.23Å; V111-L520 WeakPolarHBondContact CG1-O 3.33Å; V111-I523 HydrophobicContact CG1-CG2 4.28Å; V111-I523 HydrophobicContact CG2-CG2 4.3Å
112	E	92.1	Very high	95.4	Very high	94 Å²	94	29.4 Å²	29.4	44%	0.439	15%	0.153	S	C	.	.	H	α-helix	trans	-62.5	-39.4	177.6	-76.4	177.5	-167.8	0	0	111.3	D110 P116 L520 C521	D110-E112 VanDerWaalsContact C-N 3.25Å; D110-E112 PolarHBondContact O-N 3.44Å; E112-P116 WeakPolarHBondContact O-CD 3.37Å; E112-P116 WeakPolarHBondContact O-CG 3Å; E112-L520 HydrophobicContact CG-CB 3.39Å; E112-L520 HydrophobicContact CG-CD1 4Å; E112-L520 HydrophobicContact CG-CG 4.34Å; E112-L520 WeakPolarHBondContact OE1-CB 3.49Å; E112-L520 PolarHBondContact OE1-N 2.72Å; E112-C521 PolarHBondContact OE1-N 3.11Å
113	R	94	Very high	95.2	Very high	96 Å²	96	29.3 Å²	29.3	36%	0.362	15%	0.153	S	C	.	.	H	α-helix	trans	-74.6	-39.2	178.2	-174.1	174.6	-168.2	-165.3	-1.9	113.8	D80 D110 V111	D80-R113 IonicContact OD1-CZ 2.69Å; D80-R113 IonicContact OD1-NH1 2.71Å; D80-R113 IonicContact OD1-NH2 3.11Å; D80-R113 PolarHBondContact OD1-NH2 2.77Å; D110-R113 HydrophobicContact CB-CB 4.01Å; D110-R113 PolarHBondContact O-N 2.67Å; D110-R113 WeakPolarHBondContact OD1-CB 3.35Å; D110-R113 PolarHBondContact OD1-N 3.36Å; D110-R113 VanDerWaalsContact OD1-N 3.12Å; D110-R113 VanDerWaalsContact OD2-CB 3.28Å; D110-R113 WeakPolarHBondContact OD2-CB 3.21Å; D110-R113 WeakPolarHBondContact OD2-CD 3.37Å; V111-R113 VanDerWaalsContact C-N 3.29Å; V111-R113 PolarHBondContact O-N 2.78Å
114	F	97.1	Very high	94.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-97	-28.4	-170.5	-61	-59.3	0	0	0	114.6	L76 Y79 L92 V106 I107 D110 V111 I117 I118	L76-F114 HydrophobicContact CD2-CE1 4.35Å; L76-F114 HydrophobicContact CD2-CE2 4.21Å; L76-F114 HydrophobicContact CD2-CZ 3.45Å; L76-F114 VanDerWaalsContact CD2-CZ 3.45Å; Y79-F114 HydrophobicContact CD1-CE1 4.24Å; Y79-F114 HydrophobicContact CD2-CD1 4.49Å; Y79-F114 HydrophobicContact CD2-CE1 4.08Å; Y79-F114 HydrophobicContact CE1-CE1 4.06Å; Y79-F114 AromaticContact CE2-CD1 3.94Å; Y79-F114 HydrophobicContact CE2-CD1 3.94Å; Y79-F114 AromaticContact CE2-CE1 3.86Å; Y79-F114 HydrophobicContact CE2-CE1 3.86Å; Y79-F114 HydrophobicContact CG-CE1 4.25Å; Y79-F114 AromaticContact CZ-CE1 3.85Å; L92-F114 HydrophobicContact CD1-CD1 4.15Å; V106-F114 HydrophobicContact CG1-CD2 4.26Å; V106-F114 HydrophobicContact CG1-CE1 4.23Å; V106-F114 HydrophobicContact CG1-CE2 3.9Å; V106-F114 HydrophobicContact CG1-CZ 3.91Å; V106-F114 WeakPolarHBondContact O-CD2 3.34Å; V106-F114 WeakPolarHBondContact O-CE2 3.43Å; I107-F114 HydrophobicContact CD1-CB 3.64Å; I107-F114 HydrophobicContact CD1-CG 4.15Å; I107-F114 HydrophobicContact CG2-CB 4.32Å; D110-F114 HydrophobicContact CB-CD2 4.15Å; D110-F114 HydrophobicContact CB-CE2 3.84Å; D110-F114 WeakPolarHBondContact O-CD2 3.26Å; D110-F114 PolarHBondContact O-N 3.42Å; D110-F114 VanDerWaalsContact O-N 3.11Å; V111-F114 PolarHBondContact O-N 3.02Å; F114-I117 WeakPolarHBondContact O-CB 3.37Å; F114-I117 PolarHBondContact O-N 3.4Å; F114-I118 PolarHBondContact O-N 3.13Å
115	M	94.9	Very high	94.6	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.01	17%	0.172	C	C	.	.	H	α-helix	trans	-56.6	-43.8	178.8	-179.6	-178.3	74.3	0	0	112.4	V111 I117 I118 Y119 L193 A472 L520	V111-M115 HydrophobicContact CG2-CB 4.26Å; V111-M115 WeakPolarHBondContact O-CB 3Å; V111-M115 PolarHBondContact O-N 3.19Å; M115-I117 PolarHBondContact O-N 2.69Å; M115-I117 VanDerWaalsContact O-N 3.13Å; M115-I118 PolarHBondContact O-N 2.9Å; M115-Y119 WeakPolarHBondContact O-CB 3.48Å; M115-Y119 PolarHBondContact O-N 2.81Å; M115-L193 HydrophobicContact CG-CD1 4.18Å; M115-L193 HydrophobicContact CG-CD2 3.86Å; M115-L193 HydrophobicContact SD-CD1 4.46Å; M115-A472 HydrophobicContact SD-CB 4Å; M115-L520 HydrophobicContact CE-CD1 3.67Å; M115-L520 HydrophobicContact CE-CD2 3.73Å; M115-L520 HydrophobicContact CE-CG 4.38Å; M115-L520 HydrophobicContact SD-CD2 4.38Å
116	P	93.4	Very high	94.5	Very high	33 Å²	33	29.2 Å²	29.2	21%	0.214	16%	0.16	C	C	.	.	H	α-helix	trans	-64.7	-17.2	177.6	-22.3	35.1	0	0	0	114.6	E112 T120 P121 T122	E112-P116 WeakPolarHBondContact O-CD 3.37Å; E112-P116 WeakPolarHBondContact O-CG 3Å; P116-T120 WeakPolarHBondContact CA-O 3.28Å; P116-P121 WeakPolarHBondContact O-CD 3.49Å; P116-T122 WeakPolarHBondContact O-CB 3.12Å; P116-T122 PolarHBondContact O-N 2.96Å; P116-T122 PolarHBondContact O-OG1 2.91Å
117	I	96.8	Very high	94.4	Very high	6 Å²	6	29.2 Å²	29.2	3%	0.031	16%	0.16	C	C	.	.	H	α-helix	trans	-88.2	-51.1	177.1	-54.9	-57.3	0	0	0	111	Y79 D85 R88 Y89 L92 F114 M115 Y119 T122	Y79-I117 HydrophobicContact CE2-CG1 4.36Å; Y79-I117 WeakPolarHBondContact OH-CG1 3.44Å; D85-I117 HydrophobicContact CB-CD1 3.79Å; D85-I117 WeakPolarHBondContact OD1-CD1 3.38Å; R88-I117 HydrophobicContact CB-CG2 3.87Å; Y89-I117 VanDerWaalsContact CD2-O 3.26Å; Y89-I117 WeakPolarHBondContact CD2-O 3.49Å; L92-I117 HydrophobicContact CD1-CB 4.2Å; L92-I117 HydrophobicContact CD1-CG2 3.8Å; F114-I117 WeakPolarHBondContact O-CB 3.37Å; F114-I117 PolarHBondContact O-N 3.4Å; M115-I117 PolarHBondContact O-N 2.69Å; M115-I117 VanDerWaalsContact O-N 3.13Å; I117-Y119 VanDerWaalsContact C-N 3.26Å; I117-Y119 PolarHBondContact O-N 2.88Å; I117-T122 WeakPolarHBondContact O-CB 3.48Å
118	I	95.8	Very high	94.3	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-78.4	-13.7	-177	64.7	165	0	0	0	113.1	L92 F103 I107 F114 M115 A192 L193	L92-I118 HydrophobicContact CB-CG2 4.22Å; L92-I118 HydrophobicContact CD1-CG2 3.71Å; F103-I118 HydrophobicContact CE2-CG2 4.15Å; F103-I118 HydrophobicContact CZ-CD1 4.34Å; F103-I118 HydrophobicContact CZ-CG2 4.16Å; I107-I118 HydrophobicContact CD1-CD1 4.07Å; I107-I118 HydrophobicContact CD1-CG2 3.76Å; I107-I118 HydrophobicContact CG1-CD1 4.1Å; I107-I118 HydrophobicContact CG2-CD1 3.77Å; F114-I118 PolarHBondContact O-N 3.13Å; M115-I118 PolarHBondContact O-N 2.9Å; I118-A192 HydrophobicContact CD1-CB 4.2Å; I118-L193 HydrophobicContact CD1-CD2 3.85Å; I118-L193 HydrophobicContact CG1-CD2 4.3Å
119	Y	92.8	Very high	94.3	Very high	15 Å²	15	35 Å²	35	6%	0.059	18%	0.184	C	C	.	.	S	Bend	trans	-136.1	-149.4	177.6	-161	-118.1	0	0	0	110.8	M115 I117 P121 T122 V123 K190 L193 E262	M115-Y119 WeakPolarHBondContact O-CB 3.48Å; M115-Y119 PolarHBondContact O-N 2.81Å; I117-Y119 VanDerWaalsContact C-N 3.26Å; I117-Y119 PolarHBondContact O-N 2.88Å; Y119-P121 CarbonylContact O-C 3.56Å; Y119-T122 PolarHBondContact O-N 3.43Å; Y119-V123 HydrophobicContact CD2-CG1 4.12Å; Y119-V123 WeakPolarHBondContact O-CG1 3.43Å; Y119-V123 PolarHBondContact O-N 3.15Å; Y119-K190 HydrophobicContact CE2-CD 4.22Å; Y119-K190 HydrophobicContact CE2-CG 3.88Å; Y119-K190 WeakPolarHBondContact OH-CE 3.42Å; Y119-L193 HydrophobicContact CD1-CD1 3.5Å; Y119-L193 VanDerWaalsContact CD1-CD1 3.5Å; Y119-L193 HydrophobicContact CD2-CD1 4.19Å; Y119-L193 HydrophobicContact CE1-CD1 4.23Å; Y119-L193 HydrophobicContact CG-CD1 3.49Å; Y119-L193 VanDerWaalsContact CG-CD1 3.49Å; Y119-L193 HydrophobicContact CG-CG 4.34Å; Y119-E262 PolarHBondContact OH-OE1 3.29Å
120	T	86	Confident	94.3	Very high	34 Å²	34	33.4 Å²	33.4	21%	0.209	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	132.9	-177.5	53	0	0	0	0	111.8	P116 V123	P116-T120 WeakPolarHBondContact CA-O 3.28Å; T120-V123 HydrophobicContact CG2-CG1 4.47Å
121	P	89.2	Confident	94.2	Very high	69 Å²	69	30.9 Å²	30.9	45%	0.448	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	cis	-92.6	-18.6	8.3	34.2	-34.8	0	0	0	114.9	P116 Y119 V123 G124 P426	P116-P121 WeakPolarHBondContact O-CD 3.49Å; Y119-P121 CarbonylContact O-C 3.56Å; P121-V123 VanDerWaalsContact C-N 3.32Å; P121-V123 PolarHBondContact O-N 3.47Å; P121-G124 PolarHBondContact O-N 3.13Å; P121-G124 VanDerWaalsContact O-N 3.1Å; P121-P426 HydrophobicContact CB-CB 4.48Å
122	T	94.4	Very high	94.2	Very high	8 Å²	8	35.8 Å²	35.8	5%	0.049	18%	0.184	C	C	.	.	H	α-helix	trans	-64.3	-33.5	-166.9	-53.4	0	0	0	0	113.5	D85 P116 I117 Y119 G124 L125 A126	D85-T122 HydrophobicContact CB-CG2 3.84Å; D85-T122 VanDerWaalsContact O-CG2 3.31Å; D85-T122 WeakPolarHBondContact O-CG2 3.5Å; P116-T122 WeakPolarHBondContact O-CB 3.12Å; P116-T122 PolarHBondContact O-N 2.96Å; P116-T122 PolarHBondContact O-OG1 2.91Å; I117-T122 WeakPolarHBondContact O-CB 3.48Å; Y119-T122 PolarHBondContact O-N 3.43Å; T122-G124 PolarHBondContact O-N 3.37Å; T122-L125 WeakPolarHBondContact O-CB 3.46Å; T122-L125 PolarHBondContact O-N 2.74Å; T122-L125 VanDerWaalsContact O-N 3.07Å; T122-A126 PolarHBondContact O-N 3.34Å
123	V	94.6	Very high	94.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-58.5	-31.8	177.1	72.1	0	0	0	0	112.3	Y89 Y119 T120 P121 A126 C127 G185 I186	Y89-V123 HydrophobicContact CE2-CG2 4.3Å; Y119-V123 HydrophobicContact CD2-CG1 4.12Å; Y119-V123 WeakPolarHBondContact O-CG1 3.43Å; Y119-V123 PolarHBondContact O-N 3.15Å; T120-V123 HydrophobicContact CG2-CG1 4.47Å; P121-V123 VanDerWaalsContact C-N 3.32Å; P121-V123 PolarHBondContact O-N 3.47Å; V123-A126 WeakPolarHBondContact O-CB 3.16Å; V123-A126 PolarHBondContact O-N 2.81Å; V123-C127 PolarHBondContact O-N 2.85Å; V123-C127 PolarHBondContact O-SG 3.21Å; V123-G185 VanDerWaalsContact CG2-O 3.31Å; V123-G185 WeakPolarHBondContact CG2-O 3.24Å; V123-I186 HydrophobicContact CB-CD1 4.49Å; V123-I186 HydrophobicContact CG1-CD1 3.7Å; V123-I186 HydrophobicContact CG2-CD1 4.06Å
124	G	92.3	Very high	94.3	Very high	8 Å²	8	32.2 Å²	32.2	8%	0.082	17%	0.171	C	C	.	.	H	α-helix	trans	-66.1	-43.9	175.9	0	0	0	0	0	111.9	P121 T122 A126 C127 Q128 L176	P121-G124 PolarHBondContact O-N 3.13Å; P121-G124 VanDerWaalsContact O-N 3.1Å; T122-G124 PolarHBondContact O-N 3.37Å; G124-A126 VanDerWaalsContact C-N 3.34Å; G124-C127 WeakPolarHBondContact O-CB 3.17Å; G124-C127 PolarHBondContact O-N 2.94Å; G124-Q128 PolarHBondContact O-N 2.94Å; G124-L176 VanDerWaalsContact C-CD1 3.46Å; G124-L176 VanDerWaalsContact CA-CD1 3.42Å; G124-L176 WeakPolarHBondContact O-CD1 3.41Å
125	L	93.9	Very high	94	Very high	69 Å²	69	40.6 Å²	40.6	36%	0.361	20%	0.203	S	C	.	.	H	α-helix	trans	-62.5	-42.4	173.1	176.7	61.9	0	0	0	111.3	L86 T122 C127 Q128 Q129	L86-L125 HydrophobicContact CB-CD2 4.14Å; L86-L125 HydrophobicContact CD1-CG 4.46Å; T122-L125 WeakPolarHBondContact O-CB 3.46Å; T122-L125 PolarHBondContact O-N 2.74Å; T122-L125 VanDerWaalsContact O-N 3.07Å; L125-C127 VanDerWaalsContact C-N 3.29Å; L125-C127 PolarHBondContact O-N 3.13Å; L125-Q128 PolarHBondContact O-N 3.3Å; L125-Q129 PolarHBondContact O-N 2.98Å; L125-Q129 VanDerWaalsContact O-N 3.12Å
126	A	95.9	Very high	93.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61.2	-37.8	174.6	0	0	0	0	0	112.1	L86 Y89 T122 V123 G124 Q129 Y130 I133	L86-A126 HydrophobicContact CD1-CB 4.04Å; Y89-A126 HydrophobicContact CD1-CB 3.51Å; Y89-A126 HydrophobicContact CD2-CB 4.33Å; Y89-A126 HydrophobicContact CE1-CB 3.33Å; Y89-A126 HydrophobicContact CE2-CB 4.16Å; Y89-A126 HydrophobicContact CG-CB 4.01Å; T122-A126 PolarHBondContact O-N 3.34Å; V123-A126 WeakPolarHBondContact O-CB 3.16Å; V123-A126 PolarHBondContact O-N 2.81Å; G124-A126 VanDerWaalsContact C-N 3.34Å; A126-Q129 CarbonylContact O-C 3.6Å; A126-Q129 PolarHBondContact O-N 2.7Å; A126-Y130 WeakPolarHBondContact O-CA 3.44Å; A126-Y130 WeakPolarHBondContact O-CB 3.38Å; A126-Y130 PolarHBondContact O-N 3.24Å; A126-I133 HydrophobicContact CB-CD1 3.9Å
127	C	96.8	Very high	93.7	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-65.1	-44	172.7	-66.6	0	0	0	0	111.1	V123 G124 L125 Q129 Y130 L179 H182	V123-C127 PolarHBondContact O-N 2.85Å; V123-C127 PolarHBondContact O-SG 3.21Å; G124-C127 WeakPolarHBondContact O-CB 3.17Å; G124-C127 PolarHBondContact O-N 2.94Å; L125-C127 VanDerWaalsContact C-N 3.29Å; L125-C127 PolarHBondContact O-N 3.13Å; C127-Q129 PolarHBondContact O-N 3.19Å; C127-Q129 VanDerWaalsContact O-N 3.12Å; C127-Y130 WeakPolarHBondContact O-CB 3.09Å; C127-Y130 PolarHBondContact O-N 3.46Å; C127-Y130 VanDerWaalsContact O-N 3.09Å; C127-L179 HydrophobicContact CB-CD1 3.63Å; C127-H182 WeakPolarHBondContact CB-O 3.38Å; C127-H182 WeakPolarHBondContact O-CB 3.3Å; C127-H182 PolarHBondContact O-ND1 2.8Å; C127-H182 PolarHBondContact SG-O 3.35Å
128	Q	96.1	Very high	93.5	Very high	93 Å²	93	50.3 Å²	50.3	44%	0.435	25%	0.245	S	C	.	.	H	α-helix	trans	-58.1	-32.7	176.3	-69.3	-179.7	-54	0	0	112.6	G124 L125 L176 L179	G124-Q128 PolarHBondContact O-N 2.94Å; L125-Q128 PolarHBondContact O-N 3.3Å; Q128-L176 HydrophobicContact CG-CD1 4.11Å; Q128-L179 HydrophobicContact CG-CD1 4.05Å; Q128-L179 HydrophobicContact CG-CD2 4.26Å
129	Q	96.4	Very high	93.5	Very high	75 Å²	75	50.8 Å²	50.8	35%	0.35	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	14.2	179.1	-56.5	-164.9	8.2	0	0	114	L125 A126 C127 G131 L132 I133	L125-Q129 PolarHBondContact O-N 2.98Å; L125-Q129 VanDerWaalsContact O-N 3.12Å; A126-Q129 CarbonylContact O-C 3.6Å; A126-Q129 PolarHBondContact O-N 2.7Å; C127-Q129 PolarHBondContact O-N 3.19Å; C127-Q129 VanDerWaalsContact O-N 3.12Å; Q129-G131 PolarHBondContact O-N 3.44Å; Q129-L132 WeakPolarHBondContact O-CB 3.28Å; Q129-L132 PolarHBondContact O-N 3.11Å; Q129-I133 HydrophobicContact CB-CG2 4.38Å; Q129-I133 PolarHBondContact O-N 3.04Å
130	Y	96.7	Very high	93.7	Very high	19 Å²	19	50.8 Å²	50.8	8%	0.075	25%	0.251	C	S	.	.	H	α-helix	trans	-59.5	-45.3	-164.2	-155.8	-100.1	0	0	0	113.1	A126 C127 L132 I133 F134 H182 M184 I226	A126-Y130 WeakPolarHBondContact O-CA 3.44Å; A126-Y130 WeakPolarHBondContact O-CB 3.38Å; A126-Y130 PolarHBondContact O-N 3.24Å; C127-Y130 WeakPolarHBondContact O-CB 3.09Å; C127-Y130 PolarHBondContact O-N 3.46Å; C127-Y130 VanDerWaalsContact O-N 3.09Å; Y130-L132 PolarHBondContact O-N 3.31Å; Y130-I133 PolarHBondContact O-N 3.05Å; Y130-F134 HydrophobicContact CD1-CD2 4.48Å; Y130-F134 HydrophobicContact CE1-CD2 4.09Å; Y130-F134 WeakPolarHBondContact O-CA 3.33Å; Y130-F134 WeakPolarHBondContact O-CB 3.43Å; Y130-F134 PolarHBondContact O-N 3.4Å; Y130-H182 HydrophobicContact CG-CB 4.43Å; Y130-M184 HydrophobicContact CE1-CB 4.11Å; Y130-I226 HydrophobicContact CD1-CD1 3.84Å; Y130-I226 HydrophobicContact CE1-CD1 4.23Å
131	G	94.3	Very high	94.3	Very high	12 Å²	12	52 Å²	52	12%	0.124	25%	0.254	C	S	.	.	H	α-helix	trans	-59.6	-32.3	176.8	0	0	0	0	0	113.7	Q129 H182 F224	Q129-G131 PolarHBondContact O-N 3.44Å; G131-H182 WeakPolarHBondContact CA-NE2 3.44Å; G131-H182 PolarHBondContact N-CE1 2.75Å; G131-H182 PolarHBondContact N-NE2 3Å; G131-F224 WeakPolarHBondContact CA-O 3.46Å
132	L	95.1	Very high	94.8	Very high	118 Å²	118	48.8 Å²	48.8	62%	0.618	23%	0.233	S	C	*	.	H	α-helix	trans	-76.7	-42.1	177.4	-179.3	64.7	0	0	0	112.3	Q129 Y130 F134	Q129-L132 WeakPolarHBondContact O-CB 3.28Å; Q129-L132 PolarHBondContact O-N 3.11Å; Y130-L132 PolarHBondContact O-N 3.31Å; L132-F134 VanDerWaalsContact C-N 3.32Å
133	I	94.8	Very high	95	Very high	31 Å²	31	49.7 Å²	49.7	16%	0.159	24%	0.238	C	C	.	.	H	α-helix	trans	-87.7	-1.6	-177.5	69.1	175.3	0	0	0	113.2	L86 Y89 V90 A126 Q129 Y130 R135	L86-I133 HydrophobicContact CD1-CD1 4.17Å; Y89-I133 HydrophobicContact CD1-CD1 4.21Å; Y89-I133 HydrophobicContact CE1-CD1 3.99Å; V90-I133 HydrophobicContact CG2-CB 4.12Å; V90-I133 HydrophobicContact CG2-CD1 4.15Å; V90-I133 HydrophobicContact CG2-CG2 4.19Å; A126-I133 HydrophobicContact CB-CD1 3.9Å; Q129-I133 HydrophobicContact CB-CG2 4.38Å; Q129-I133 PolarHBondContact O-N 3.04Å; Y130-I133 PolarHBondContact O-N 3.05Å; I133-R135 WeakPolarHBondContact O-CG 2.97Å; I133-R135 PolarHBondContact O-N 3.3Å
134	F	94.1	Very high	95.2	Very high	83 Å²	83	50.5 Å²	50.5	36%	0.364	24%	0.244	S	C	.	.			trans	-57.5	130.5	-177.2	-175.4	-96.3	0	0	0	111.4	Y130 L132 P137 I226	Y130-F134 HydrophobicContact CD1-CD2 4.48Å; Y130-F134 HydrophobicContact CE1-CD2 4.09Å; Y130-F134 WeakPolarHBondContact O-CA 3.33Å; Y130-F134 WeakPolarHBondContact O-CB 3.43Å; Y130-F134 PolarHBondContact O-N 3.4Å; L132-F134 VanDerWaalsContact C-N 3.32Å; F134-P137 HydrophobicContact CE2-CB 4.36Å; F134-P137 HydrophobicContact CZ-CB 3.96Å; F134-I226 HydrophobicContact CD2-CD1 3.93Å; F134-I226 HydrophobicContact CE2-CD1 4.33Å; F134-I226 HydrophobicContact CG-CD1 4.44Å
135	R	89.1	Confident	95.5	Very high	177 Å²	177	56.2 Å²	56.2	67%	0.668	27%	0.268	S	S	*	.			trans	-135.3	-88.8	-176.9	-70.3	169.3	-173.9	-162.6	-0.3	110.9	V90 I133	V90-R135 VanDerWaalsContact CG1-NH2 3.28Å; I133-R135 WeakPolarHBondContact O-CG 2.97Å; I133-R135 PolarHBondContact O-N 3.3Å
136	R	91.6	Very high	95.7	Very high	113 Å²	113	55 Å²	55	43%	0.426	26%	0.261	S	S	.	.	S	Bend	trans	-96	125.7	176.2	-168.4	177.9	-177.3	164.2	2.4	108.1	D97	D97-R136 PolarHBondContact O-NH1 3.35Å; D97-R136 WeakPolarHBondContact OD2-CB 3.44Å
137	P	90.6	Very high	95.8	Very high	83 Å²	83	60.9 Å²	60.9	54%	0.539	28%	0.284	S	S	.	.			trans	-64.1	140.7	177.7	24.9	-32.3	0	0	0	110.5	F134	F134-P137 HydrophobicContact CE2-CB 4.36Å; F134-P137 HydrophobicContact CZ-CB 3.96Å
138	R	92.3	Very high	95.8	Very high	48 Å²	48	63.5 Å²	63.5	18%	0.181	31%	0.311	C	S	.	.			trans	-131.4	140.8	169.3	-73.8	-141	179.1	-123.3	6.7	110.2	M96 D97 V188	M96-R138 PolarHBondContact O-NH2 2.9Å; D97-R138 IonicContact OD1-CZ 2.7Å; D97-R138 IonicContact OD1-NE 3.32Å; D97-R138 PolarHBondContact OD1-NE 2.94Å; D97-R138 IonicContact OD1-NH2 3.72Å; D97-R138 PolarHBondContact OD1-NH2 3.47Å; R138-V188 HydrophobicContact CB-CG2 4.01Å
139	G	96.2	Very high	95.9	Very high	11 Å²	11	64.5 Å²	64.5	11%	0.113	32%	0.315	C	S	.	.	S	Bend	trans	80.3	-174.6	-175.2	0	0	0	0	0	112.9	P207	G139-P207 CarbonylContact C-O 3.53Å; G139-P207 WeakPolarHBondContact CA-O 3.35Å
140	L	98.1	Very high	96.1	Very high	15 Å²	15	60.9 Å²	60.9	8%	0.079	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	131.1	-175.6	-162.5	68.8	0	0	0	109.7	I142 I153 L154 M184 L206 P207 V208 L209	L140-I142 HydrophobicContact CD2-CD1 4.12Å; L140-I142 HydrophobicContact CD2-CG1 4.25Å; L140-I142 HydrophobicContact CG-CG1 4.3Å; L140-I153 HydrophobicContact CD1-CG2 3.79Å; L140-I153 HydrophobicContact CD2-CG2 3.98Å; L140-I153 HydrophobicContact CG-CG2 3.93Å; L140-L154 HydrophobicContact CD2-CD2 3.54Å; L140-L154 HydrophobicContact CD2-CG 4.5Å; L140-M184 WeakPolarHBondContact O-CE 3.49Å; L140-L206 HydrophobicContact CB-CD1 4.21Å; L140-P207 PolarHBondContact N-O 3.4Å; L140-V208 HydrophobicContact CB-CG2 4.39Å; L140-V208 WeakPolarHBondContact O-CA 3.11Å; L140-L209 PolarHBondContact O-N 2.86Å
141	F	98.6	Very high	96.1	Very high	61 Å²	61	62.8 Å²	62.8	27%	0.268	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	119.3	176.3	-58.2	-96.2	0	0	0	107.5	M184 L209	F141-M184 HydrophobicContact CD1-CE 3.81Å; F141-M184 HydrophobicContact CD2-CE 4.07Å; F141-M184 HydrophobicContact CE1-CB 3.84Å; F141-M184 HydrophobicContact CE1-CE 3.59Å; F141-M184 HydrophobicContact CE1-CG 3.89Å; F141-M184 HydrophobicContact CE2-CE 3.85Å; F141-M184 HydrophobicContact CG-CE 4.05Å; F141-M184 HydrophobicContact CZ-CB 4.13Å; F141-M184 HydrophobicContact CZ-CE 3.61Å; F141-M184 HydrophobicContact CZ-CG 3.71Å; F141-L209 HydrophobicContact CD1-CB 4.28Å; F141-L209 HydrophobicContact CD1-CD2 3.96Å; F141-L209 HydrophobicContact CE1-CD2 4.5Å
142	I	98.8	Very high	96.3	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	128.3	177.5	-60.5	167.5	0	0	0	106.6	L140 D146 I150 I153 V208 L209 L210 D211 L241 F245	L140-I142 HydrophobicContact CD2-CD1 4.12Å; L140-I142 HydrophobicContact CD2-CG1 4.25Å; L140-I142 HydrophobicContact CG-CG1 4.3Å; I142-D146 HydrophobicContact CG2-CB 4.3Å; I142-I150 HydrophobicContact CD1-CG2 3.95Å; I142-I150 HydrophobicContact CG2-CD1 3.93Å; I142-I150 HydrophobicContact CG2-CG1 3.81Å; I142-I153 HydrophobicContact CG1-CG2 4.35Å; I142-V208 HydrophobicContact CD1-CG1 3.93Å; I142-V208 HydrophobicContact CG1-CG1 4.5Å; I142-L209 PolarHBondContact N-O 2.71Å; I142-L210 HydrophobicContact CB-CD2 3.85Å; I142-L210 HydrophobicContact CD1-CD2 4.22Å; I142-L210 HydrophobicContact CG2-CD2 4.22Å; I142-L210 CarbonylContact O-C 3.57Å; I142-L210 VanDerWaalsContact O-CA 3.27Å; I142-L210 WeakPolarHBondContact O-CA 3.4Å; I142-D211 PolarHBondContact O-N 2.85Å; I142-L241 HydrophobicContact CG2-CD1 4.42Å; I142-F245 HydrophobicContact CD1-CD2 3.82Å; I142-F245 HydrophobicContact CD1-CE2 4.07Å
143	T	98.8	Very high	96.5	Very high	27 Å²	27	61 Å²	61	17%	0.166	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	163.9	-175.9	75.3	0	0	0	0	112	H145 D146 D211 L228 L241	T143-H145 PolarHBondContact O-N 3.2Å; T143-H145 VanDerWaalsContact O-N 3.13Å; T143-H145 PolarHBondContact OG1-N 3.26Å; T143-D146 WeakPolarHBondContact CA-OD2 3.27Å; T143-D146 WeakPolarHBondContact CB-OD2 3.49Å; T143-D146 PolarHBondContact N-OD2 3.23Å; T143-D146 WeakPolarHBondContact O-CB 3.3Å; T143-D146 PolarHBondContact O-N 3.26Å; T143-D146 VanDerWaalsContact OG1-CG 3.29Å; T143-D146 PolarHBondContact OG1-N 3.03Å; T143-D146 PolarHBondContact OG1-OD2 2.91Å; T143-D211 CarbonylContact C-O 3.46Å; T143-D211 WeakPolarHBondContact CA-O 3.49Å; T143-D211 HydrophobicContact CG2-CB 4.34Å; T143-L228 HydrophobicContact CG2-CD1 4.45Å; T143-L241 WeakPolarHBondContact O-CD1 3.5Å
144	V	98.4	Very high	96.6	Very high	18 Å²	18	59.5 Å²	59.5	11%	0.109	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-58.7	-22.1	169.7	69.8	0	0	0	0	113.4	D146 D211 V212 L228 V233 L241	V144-D146 VanDerWaalsContact C-N 3.32Å; V144-D211 PolarHBondContact N-O 2.87Å; V144-V212 HydrophobicContact CB-CB 4.39Å; V144-V212 HydrophobicContact CB-CG1 4.18Å; V144-L228 HydrophobicContact CG1-CD1 4.05Å; V144-V233 HydrophobicContact CG1-CG2 4.07Å; V144-V233 HydrophobicContact CG2-CB 4.06Å; V144-V233 HydrophobicContact CG2-CG1 4.01Å; V144-V233 HydrophobicContact CG2-CG2 4.11Å; V144-L241 HydrophobicContact CB-CD2 4.43Å
145	H	98.4	Very high	96.8	Very high	127 Å²	127	61.8 Å²	61.8	59%	0.588	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-81.3	-12.5	177.7	-58	-54.3	0	0	0	113.3	T143 R147 H230	T143-H145 PolarHBondContact O-N 3.2Å; T143-H145 VanDerWaalsContact O-N 3.13Å; T143-H145 PolarHBondContact OG1-N 3.26Å; H145-R147 VanDerWaalsContact C-N 3.29Å; H145-H230 AromaticContact NE2-NE2 3.59Å
146	D	98.6	Very high	97.2	Very high	43 Å²	43	59.6 Å²	59.6	23%	0.23	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-88.8	4.5	178.9	-62.1	-52.1	0	0	0	113.2	I142 T143 V144 G148 H149 I153	I142-D146 HydrophobicContact CG2-CB 4.3Å; T143-D146 WeakPolarHBondContact CA-OD2 3.27Å; T143-D146 WeakPolarHBondContact CB-OD2 3.49Å; T143-D146 PolarHBondContact N-OD2 3.23Å; T143-D146 WeakPolarHBondContact O-CB 3.3Å; T143-D146 PolarHBondContact O-N 3.26Å; T143-D146 VanDerWaalsContact OG1-CG 3.29Å; T143-D146 PolarHBondContact OG1-N 3.03Å; T143-D146 PolarHBondContact OG1-OD2 2.91Å; V144-D146 VanDerWaalsContact C-N 3.32Å; D146-G148 PolarHBondContact O-N 2.91Å; D146-H149 WeakPolarHBondContact O-CA 3.35Å; D146-H149 WeakPolarHBondContact O-CB 3.45Å; D146-H149 PolarHBondContact O-N 2.84Å; D146-I153 HydrophobicContact CB-CD1 3.43Å; D146-I153 VanDerWaalsContact CB-CD1 3.43Å
147	R	97.2	Very high	97.4	Very high	124 Å²	124	56.6 Å²	56.6	47%	0.468	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	124.8	176.4	-169.4	-177.6	65.5	157.6	0	110.3	H145 D240 L241 E244	H145-R147 VanDerWaalsContact C-N 3.29Å; R147-D240 IonicContact NH1-OD2 3.74Å; R147-D240 PolarHBondContact NH1-OD2 2.91Å; R147-L241 HydrophobicContact CB-CD1 4.33Å; R147-E244 VanDerWaalsContact CA-OE2 3.3Å; R147-E244 WeakPolarHBondContact CA-OE2 3.44Å; R147-E244 WeakPolarHBondContact CG-OE2 3.47Å
148	G	98.2	Very high	97.6	Very high	56 Å²	56	57.2 Å²	57.2	58%	0.577	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.2	-6.7	-172.6	0	0	0	0	0	113.9	D146 E244	D146-G148 PolarHBondContact O-N 2.91Å; G148-E244 VanDerWaalsContact C-OE1 3.26Å; G148-E244 WeakPolarHBondContact CA-OE1 3.44Å; G148-E244 PolarHBondContact N-OE1 3.19Å; G148-E244 PolarHBondContact N-OE2 3.3Å
149	H	98.6	Very high	97.7	Very high	113 Å²	113	57.6 Å²	57.6	52%	0.523	31%	0.314	S	S	.	.			trans	-131.6	5.3	-169.7	-58.1	-69.1	0	0	0	114.2	D146 A151 S152 I153 E244	D146-H149 WeakPolarHBondContact O-CA 3.35Å; D146-H149 WeakPolarHBondContact O-CB 3.45Å; D146-H149 PolarHBondContact O-N 2.84Å; H149-A151 VanDerWaalsContact C-N 3.26Å; H149-A151 PolarHBondContact O-N 3.3Å; H149-S152 WeakPolarHBondContact O-CB 3.21Å; H149-S152 PolarHBondContact O-N 3.29Å; H149-I153 PolarHBondContact O-N 2.89Å; H149-I153 VanDerWaalsContact O-N 3.16Å; H149-E244 PolarHBondContact N-OE1 3.11Å
150	I	98.8	Very high	97.6	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-58.2	-40.5	-177	-62.6	-179.4	0	0	0	111.2	I142 S152 I153 L154 L241 E244 F245 A248	I142-I150 HydrophobicContact CD1-CG2 3.95Å; I142-I150 HydrophobicContact CG2-CD1 3.93Å; I142-I150 HydrophobicContact CG2-CG1 3.81Å; I150-S152 PolarHBondContact O-N 2.84Å; I150-I153 PolarHBondContact O-N 3.39Å; I150-I153 VanDerWaalsContact O-N 3.07Å; I150-L154 HydrophobicContact CG2-CD1 4.22Å; I150-L154 HydrophobicContact CG2-CG 4.24Å; I150-L154 WeakPolarHBondContact O-CG 3.49Å; I150-L154 PolarHBondContact O-N 2.9Å; I150-L241 HydrophobicContact CD1-CD1 3.95Å; I150-E244 HydrophobicContact CB-CG 4.26Å; I150-E244 HydrophobicContact CD1-CB 3.99Å; I150-E244 HydrophobicContact CD1-CG 3.85Å; I150-E244 HydrophobicContact CG1-CG 4.17Å; I150-E244 WeakPolarHBondContact CG1-OE1 3.32Å; I150-E244 PolarHBondContact N-OE1 3.11Å; I150-F245 HydrophobicContact CD1-CB 3.92Å; I150-A248 HydrophobicContact CB-CB 4.08Å; I150-A248 HydrophobicContact CG2-CB 3.63Å
151	A	98.2	Very high	97.5	Very high	58 Å²	58	66.3 Å²	66.3	48%	0.479	35%	0.351	S	S	.	.	H	α-helix	trans	-57.9	-34.7	177.9	0	0	0	0	0	113.1	H149	H149-A151 VanDerWaalsContact C-N 3.26Å; H149-A151 PolarHBondContact O-N 3.3Å
152	S	98.3	Very high	97.4	Very high	67 Å²	67	63.5 Å²	63.5	47%	0.469	34%	0.338	S	S	.	.	H	α-helix	trans	-72.8	-41.3	175.1	-62.8	0	0	0	0	111.5	H149 I150 L154 Q155	H149-S152 WeakPolarHBondContact O-CB 3.21Å; H149-S152 PolarHBondContact O-N 3.29Å; I150-S152 PolarHBondContact O-N 2.84Å; S152-L154 VanDerWaalsContact C-N 3.3Å; S152-L154 PolarHBondContact O-N 3.33Å; S152-Q155 VanDerWaalsContact O-CB 3.28Å; S152-Q155 WeakPolarHBondContact O-CB 3.49Å; S152-Q155 PolarHBondContact O-N 3.39Å
153	I	98.4	Very high	97.4	Very high	25 Å²	25	65.9 Å²	65.9	13%	0.128	35%	0.349	C	S	.	.	H	α-helix	trans	-61.3	-41.6	178.3	-64.3	175.2	0	0	0	110.9	L140 I142 D146 H149 I150 Q155 N156	L140-I153 HydrophobicContact CD1-CG2 3.79Å; L140-I153 HydrophobicContact CD2-CG2 3.98Å; L140-I153 HydrophobicContact CG-CG2 3.93Å; I142-I153 HydrophobicContact CG1-CG2 4.35Å; D146-I153 HydrophobicContact CB-CD1 3.43Å; D146-I153 VanDerWaalsContact CB-CD1 3.43Å; H149-I153 PolarHBondContact O-N 2.89Å; H149-I153 VanDerWaalsContact O-N 3.16Å; I150-I153 PolarHBondContact O-N 3.39Å; I150-I153 VanDerWaalsContact O-N 3.07Å; I153-Q155 PolarHBondContact O-N 3.22Å; I153-Q155 VanDerWaalsContact O-N 3.15Å; I153-N156 VanDerWaalsContact O-CB 3.31Å; I153-N156 WeakPolarHBondContact O-CB 3.36Å; I153-N156 PolarHBondContact O-N 3.33Å
154	L	98.1	Very high	97.4	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-60.5	-24.7	177.1	-64.9	172.8	0	0	0	112.8	L140 I150 S152 N156 W157 L206 A248 I249 R252 Y253	L140-L154 HydrophobicContact CD2-CD2 3.54Å; L140-L154 HydrophobicContact CD2-CG 4.5Å; I150-L154 HydrophobicContact CG2-CD1 4.22Å; I150-L154 HydrophobicContact CG2-CG 4.24Å; I150-L154 WeakPolarHBondContact O-CG 3.49Å; I150-L154 PolarHBondContact O-N 2.9Å; S152-L154 VanDerWaalsContact C-N 3.3Å; S152-L154 PolarHBondContact O-N 3.33Å; L154-N156 PolarHBondContact O-N 2.92Å; L154-W157 PolarHBondContact O-N 2.77Å; L154-L206 HydrophobicContact CD2-CD2 4.44Å; L154-A248 HydrophobicContact CD1-CB 3.8Å; L154-A248 WeakPolarHBondContact CD1-O 3.4Å; L154-I249 HydrophobicContact CD1-CD1 4.05Å; L154-I249 HydrophobicContact CD2-CD1 3.59Å; L154-R252 VanDerWaalsContact C-CZ 3.47Å; L154-R252 VanDerWaalsContact CB-CD 3.41Å; L154-R252 HydrophobicContact CD1-CB 4.43Å; L154-R252 PolarHBondContact O-NE 2.9Å; L154-R252 PolarHBondContact O-NH2 3.22Å; L154-Y253 HydrophobicContact CD2-CE2 4.26Å
155	Q	96.8	Very high	97.4	Very high	132 Å²	132	63.8 Å²	63.8	62%	0.617	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-22.4	174.8	-61.6	178.4	17.7	0	0	113.4	S152 I153 W157	S152-Q155 VanDerWaalsContact O-CB 3.28Å; S152-Q155 WeakPolarHBondContact O-CB 3.49Å; S152-Q155 PolarHBondContact O-N 3.39Å; I153-Q155 PolarHBondContact O-N 3.22Å; I153-Q155 VanDerWaalsContact O-N 3.15Å; Q155-W157 VanDerWaalsContact C-N 3.29Å
156	N	97.5	Very high	97.4	Very high	130 Å²	130	57.7 Å²	57.7	70%	0.695	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-15.6	178	-59.9	-34.2	0	0	0	112.8	I153 L154	I153-N156 VanDerWaalsContact O-CB 3.31Å; I153-N156 WeakPolarHBondContact O-CB 3.36Å; I153-N156 PolarHBondContact O-N 3.33Å; L154-N156 PolarHBondContact O-N 2.92Å
157	W	97.1	Very high	97.5	Very high	50 Å²	50	55.7 Å²	55.7	19%	0.189	30%	0.297	C	S	.	.	S	Bend	trans	-72.7	127	175	-165.9	-107.5	0	0	0	110.1	L154 Q155 E159 L206	L154-W157 PolarHBondContact O-N 2.77Å; Q155-W157 VanDerWaalsContact C-N 3.29Å; W157-E159 VanDerWaalsContact C-N 3.33Å; W157-E159 PolarHBondContact O-N 3.17Å; W157-L206 HydrophobicContact CD2-CD1 3.5Å; W157-L206 VanDerWaalsContact CD2-CD1 3.5Å; W157-L206 HydrophobicContact CE3-CD1 3.76Å; W157-L206 HydrophobicContact CG-CD1 4.01Å; W157-L206 HydrophobicContact CH2-CD1 4.01Å; W157-L206 HydrophobicContact CZ2-CD1 3.76Å; W157-L206 HydrophobicContact CZ3-CD1 4.01Å
158	P	93.6	Very high	97.5	Very high	97 Å²	97	49.8 Å²	49.8	63%	0.63	28%	0.275	S	S	*	.	S	Bend	trans	-69.7	-29.9	-171.4	26.7	-34.8	0	0	0	113.2
159	E	95.1	Very high	97.6	Very high	56 Å²	56	47.1 Å²	47.1	26%	0.262	25%	0.247	S	C	.	.			trans	-86.6	134.3	-178.5	-57	-54.9	144.1	0	0	111.2	W157 I162 Q203	W157-E159 VanDerWaalsContact C-N 3.33Å; W157-E159 PolarHBondContact O-N 3.17Å; E159-I162 HydrophobicContact CB-CD1 3.88Å; E159-Q203 WeakPolarHBondContact CB-O 3.14Å; E159-Q203 HydrophobicContact CG-CB 4.37Å
160	K	94.2	Very high	97.5	Very high	148 Å²	148	41.8 Å²	41.8	64%	0.643	22%	0.223	S	C	*	.	S	Bend	trans	-98	-25.6	-179	-60.1	-174.9	-176.2	174.1	0	113	V11 I162 Y253	V11-K160 HydrophobicContact CG2-CB 3.78Å; V11-K160 HydrophobicContact CG2-CD 3.71Å; V11-K160 HydrophobicContact CG2-CG 4.22Å; K160-I162 PolarHBondContact O-N 2.86Å; K160-Y253 WeakPolarHBondContact O-CD1 3.32Å
161	D	95.3	Very high	97.5	Very high	61 Å²	61	43.4 Å²	43.4	33%	0.326	23%	0.23	S	C	.	.			trans	-98.8	65.6	-176.9	-172.2	44.3	0	0	0	111.4	K163 Q204	D161-K163 WeakPolarHBondContact OD1-CE 3.38Å; D161-K163 IonicContact OD1-NZ 2.75Å; D161-K163 PolarHBondContact OD1-NZ 3.07Å; D161-Q204 WeakPolarHBondContact O-CA 3.47Å; D161-Q204 WeakPolarHBondContact O-CG 3.3Å; D161-Q204 PolarHBondContact OD2-NE2 2.8Å
162	I	98.3	Very high	97.4	Very high	1 Å²	1	44 Å²	44	1%	0.005	22%	0.22	C	C	.	.			trans	-83.4	127.2	176.5	-59.9	-54.9	0	0	0	110.1	E159 K160 V165 Q203 L206 Y253 C257	E159-I162 HydrophobicContact CB-CD1 3.88Å; K160-I162 PolarHBondContact O-N 2.86Å; I162-V165 HydrophobicContact CG2-CG2 3.87Å; I162-Q203 WeakPolarHBondContact CD1-O 3.49Å; I162-L206 HydrophobicContact CD1-CB 4.15Å; I162-L206 HydrophobicContact CG1-CB 4.26Å; I162-L206 HydrophobicContact CG1-CD2 4.48Å; I162-L206 HydrophobicContact CG2-CB 3.67Å; I162-L206 HydrophobicContact CG2-CD2 4.36Å; I162-Y253 HydrophobicContact CB-CD1 3.64Å; I162-Y253 HydrophobicContact CB-CD2 4.05Å; I162-Y253 HydrophobicContact CB-CE1 3.75Å; I162-Y253 HydrophobicContact CB-CE2 4.15Å; I162-Y253 HydrophobicContact CB-CG 3.79Å; I162-Y253 HydrophobicContact CG1-CD1 3.95Å; I162-Y253 HydrophobicContact CG1-CE1 3.49Å; I162-Y253 VanDerWaalsContact CG1-CE1 3.49Å; I162-Y253 HydrophobicContact CG1-CE2 4.15Å; I162-Y253 HydrophobicContact CG1-CG 4.44Å; I162-Y253 HydrophobicContact CG2-CD2 4.38Å; I162-Y253 HydrophobicContact CG2-CG 4.48Å; I162-C257 PolarHBondContact O-SG 2.95Å; I162-C257 VanDerWaalsContact O-SG 3.42Å
163	K	98.1	Very high	97.1	Very high	50 Å²	50	41 Å²	41	22%	0.217	20%	0.198	C	C	.	.			trans	-114.1	-25.4	179.3	-58.3	-59.9	-173.3	-158.7	0	113.4	D161 M200 Q204 L258 T483	D161-K163 WeakPolarHBondContact OD1-CE 3.38Å; D161-K163 IonicContact OD1-NZ 2.75Å; D161-K163 PolarHBondContact OD1-NZ 3.07Å; K163-M200 HydrophobicContact CB-CE 3.57Å; K163-Q204 HydrophobicContact CB-CB 4.07Å; K163-Q204 HydrophobicContact CG-CB 3.99Å; K163-Q204 HydrophobicContact CG-CG 4.13Å; K163-Q204 PolarHBondContact N-O 3.46Å; K163-L258 WeakPolarHBondContact O-CB 3.28Å; K163-L258 PolarHBondContact O-N 3.03Å; K163-T483 HydrophobicContact CB-CG2 3.86Å
164	A	98.6	Very high	96.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	131.5	174.9	0	0	0	0	0	111.8	L191 Y194 M200 Q204 C205 L206 L258	A164-L191 HydrophobicContact CB-CD2 4.45Å; A164-Y194 HydrophobicContact CB-CE1 4.34Å; A164-M200 HydrophobicContact CB-CE 3.49Å; A164-M200 VanDerWaalsContact CB-CE 3.49Å; A164-M200 HydrophobicContact CB-SD 3.66Å; A164-Q204 PolarHBondContact N-O 2.96Å; A164-C205 CarbonylContact O-C 3.46Å; A164-C205 WeakPolarHBondContact O-CA 3.34Å; A164-L206 PolarHBondContact O-N 3.07Å; A164-L258 CarbonylContact C-O 3.6Å; A164-L258 WeakPolarHBondContact CA-O 3.41Å; A164-L258 HydrophobicContact CB-CB 4.41Å; A164-L258 HydrophobicContact CB-CD2 4.15Å
165	V	98.9	Very high	95.7	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	127.4	172.9	-179	0	0	0	0	107.5	I162 L206 V208 F245 I249 L258 I259 Q260	I162-V165 HydrophobicContact CG2-CG2 3.87Å; V165-L206 VanDerWaalsContact CA-O 3.32Å; V165-L206 WeakPolarHBondContact CA-O 3.36Å; V165-L206 HydrophobicContact CG2-CB 4.21Å; V165-L206 HydrophobicContact CG2-CD2 4.31Å; V165-V208 HydrophobicContact CG1-CB 4.36Å; V165-V208 HydrophobicContact CG1-CG2 3.69Å; V165-F245 HydrophobicContact CG1-CZ 4.08Å; V165-I249 HydrophobicContact CG2-CD1 4.27Å; V165-I249 HydrophobicContact CG2-CG2 4Å; V165-L258 PolarHBondContact N-O 2.61Å; V165-I259 HydrophobicContact CB-CG1 4.48Å; V165-Q260 PolarHBondContact O-N 2.64Å
166	C	98.8	Very high	95.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	123.6	165.6	-175.2	0	0	0	0	107.6	P187 L191 L206 V208	C166-P187 HydrophobicContact CB-CB 4.18Å; C166-L191 HydrophobicContact CB-CD1 3.98Å; C166-L191 HydrophobicContact CB-CD2 3.97Å; C166-L191 HydrophobicContact CB-CG 3.79Å; C166-L206 PolarHBondContact N-O 3.4Å; C166-V208 PolarHBondContact O-N 3.45Å
167	V	98.9	Very high	95.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	140.8	-175.6	63.6	0	0	0	0	110.8	V208 L210 F245 I259 Q260 F261 E262 F264	V167-V208 WeakPolarHBondContact CA-O 3.36Å; V167-V208 HydrophobicContact CB-CB 4.18Å; V167-V208 HydrophobicContact CG2-CB 4.01Å; V167-V208 HydrophobicContact CG2-CG1 3.95Å; V167-L210 HydrophobicContact CG2-CD1 3.79Å; V167-L210 HydrophobicContact CG2-CD2 4.27Å; V167-L210 HydrophobicContact CG2-CG 3.64Å; V167-F245 HydrophobicContact CB-CE1 4.19Å; V167-F245 HydrophobicContact CB-CZ 3.99Å; V167-F245 HydrophobicContact CG1-CE1 3.98Å; V167-F245 HydrophobicContact CG1-CZ 4.25Å; V167-F245 HydrophobicContact CG2-CE1 4.04Å; V167-F245 HydrophobicContact CG2-CZ 3.87Å; V167-I259 HydrophobicContact CG1-CG2 4.05Å; V167-Q260 WeakPolarHBondContact CG1-O 3.42Å; V167-Q260 PolarHBondContact N-O 3.03Å; V167-F261 HydrophobicContact CG1-CD1 3.99Å; V167-F261 HydrophobicContact CG1-CE1 4.23Å; V167-F261 HydrophobicContact CG1-CG 4.36Å; V167-E262 PolarHBondContact O-N 2.94Å; V167-F264 HydrophobicContact CG1-CE2 4.49Å; V167-F264 WeakPolarHBondContact O-CE2 3.2Å
168	T	98.8	Very high	95.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	154.3	170.7	-169.9	0	0	0	0	110.5	G170 P187 V208 L209 L210 E262	T168-G170 PolarHBondContact OG1-N 2.87Å; T168-P187 HydrophobicContact CG2-CG 3.54Å; T168-V208 PolarHBondContact N-O 3.46Å; T168-L209 HydrophobicContact CG2-CD1 3.91Å; T168-L209 WeakPolarHBondContact O-CA 3.39Å; T168-L210 PolarHBondContact O-N 3.22Å; T168-E262 WeakPolarHBondContact CA-O 3.33Å; T168-E262 WeakPolarHBondContact CB-O 3.46Å; T168-E262 PolarHBondContact OG1-O 3.11Å
169	D	98.6	Very high	95.4	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	16%	0.164	C	C	.	.			trans	-101.7	3.3	163.1	71.4	2.5	0	0	0	112.9	E171 L210 R232 Y238 F264	D169-E171 PolarHBondContact O-N 3.4Å; D169-E171 VanDerWaalsContact OD1-CB 3.26Å; D169-E171 WeakPolarHBondContact OD1-CB 3.35Å; D169-E171 PolarHBondContact OD1-N 2.88Å; D169-E171 VanDerWaalsContact OD1-N 3.13Å; D169-L210 WeakPolarHBondContact CA-O 3.39Å; D169-L210 HydrophobicContact CB-CB 4.36Å; D169-R232 PolarHBondContact O-NH1 3.29Å; D169-R232 PolarHBondContact O-NH2 3.05Å; D169-R232 IonicContact OD2-NH1 3.04Å; D169-Y238 PolarHBondContact OD2-OH 2.7Å; D169-F264 HydrophobicContact CB-CD1 4.17Å; D169-F264 HydrophobicContact CB-CE1 3.74Å; D169-F264 HydrophobicContact CB-CZ 4.26Å; D169-F264 VanDerWaalsContact CG-CD1 3.42Å; D169-F264 WeakPolarHBondContact OD2-CD1 3.36Å
170	G	98.1	Very high	95.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.152	C	C	.	.	S	Bend	trans	67.2	13.7	175.8	0	0	0	0	0	115	T168 L179 G180 R232	T168-G170 PolarHBondContact OG1-N 2.87Å; G170-L179 PolarHBondContact O-N 3.45Å; G170-G180 PolarHBondContact O-N 3.42Å; G170-R232 VanDerWaalsContact C-NH2 3.28Å; G170-R232 PolarHBondContact O-NH2 3.09Å
171	E	98.3	Very high	95.8	Very high	34 Å²	34	21.4 Å²	21.4	16%	0.159	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-30	-175	-169	176.7	176.5	0	0	113.3	D169 G177 D178 R232 R234 A265	D169-E171 PolarHBondContact O-N 3.4Å; D169-E171 VanDerWaalsContact OD1-CB 3.26Å; D169-E171 WeakPolarHBondContact OD1-CB 3.35Å; D169-E171 PolarHBondContact OD1-N 2.88Å; D169-E171 VanDerWaalsContact OD1-N 3.13Å; E171-G177 CarbonylContact O-C 3.53Å; E171-G177 VanDerWaalsContact O-C 3.29Å; E171-D178 WeakPolarHBondContact O-CA 3.2Å; E171-D178 WeakPolarHBondContact O-CB 3.41Å; E171-D178 PolarHBondContact O-N 3.06Å; E171-D178 VanDerWaalsContact O-N 3.13Å; E171-R232 VanDerWaalsContact CA-NH2 3.29Å; E171-R234 VanDerWaalsContact CD-NH2 3.3Å; E171-R234 IonicContact OE1-CZ 2.75Å; E171-R234 VanDerWaalsContact OE1-CZ 3.23Å; E171-R234 IonicContact OE1-NH1 2.77Å; E171-R234 PolarHBondContact OE1-NH1 3.12Å; E171-R234 IonicContact OE1-NH2 3.2Å; E171-R234 PolarHBondContact OE1-NH2 2.94Å; E171-R234 IonicContact OE2-CZ 3.9Å; E171-R234 IonicContact OE2-NH1 2.76Å; E171-R234 PolarHBondContact OE2-NH1 3.18Å; E171-R234 IonicContact OE2-NH2 3.18Å; E171-A265 HydrophobicContact CB-CB 4.31Å; E171-A265 HydrophobicContact CG-CB 3.84Å
172	R	95.1	Very high	95.9	Very high	71 Å²	71	18.6 Å²	18.6	27%	0.268	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-137.6	60.3	-175.8	-167.6	-174.7	159.8	-96.7	8.7	110.6	L174 D263 F264 N266 E321	R172-L174 PolarHBondContact O-N 2.92Å; R172-D263 CarbonylContact C-O 3.12Å; R172-D263 PolarHBondContact N-O 3.14Å; R172-D263 WeakPolarHBondContact O-CB 3.27Å; R172-F264 WeakPolarHBondContact CB-O 3.19Å; R172-N266 PolarHBondContact NE-OD1 2.93Å; R172-E321 IonicContact CZ-OE2 2.71Å; R172-E321 IonicContact NH1-OE2 3.61Å; R172-E321 PolarHBondContact NH1-OE2 3.28Å; R172-E321 IonicContact NH2-OE2 3.72Å
173	I	93.5	Very high	95.9	Very high	3 Å²	3	18.6 Å²	18.6	2%	0.015	11%	0.108	C	C	.	.	B	Isolated β-bridge	trans	-58.6	124.8	170.6	-54.2	-46.5	0	0	0	108.8	G175 L176 G177 L179 I186 D263	I173-G175 PolarHBondContact O-N 3.32Å; I173-G175 VanDerWaalsContact O-N 3.11Å; I173-L176 HydrophobicContact CB-CB 4.35Å; I173-L176 HydrophobicContact CG2-CB 4.33Å; I173-L176 HydrophobicContact CG2-CD1 4.21Å; I173-L176 CarbonylContact O-C 3.57Å; I173-L176 WeakPolarHBondContact O-CA 3.3Å; I173-L176 PolarHBondContact O-N 2.64Å; I173-G177 PolarHBondContact N-O 3.16Å; I173-G177 PolarHBondContact O-N 3.5Å; I173-L179 HydrophobicContact CB-CD1 3.97Å; I173-L179 HydrophobicContact CB-CG 4.18Å; I173-L179 HydrophobicContact CG1-CB 3.86Å; I173-L179 HydrophobicContact CG1-CD1 3.89Å; I173-L179 HydrophobicContact CG1-CG 3.9Å; I173-L179 HydrophobicContact CG2-CD1 4.04Å; I173-I186 HydrophobicContact CD1-CG1 3.93Å; I173-I186 HydrophobicContact CG2-CD1 4.04Å; I173-I186 HydrophobicContact CG2-CG1 4.01Å; I173-D263 WeakPolarHBondContact CA-OD2 3.14Å; I173-D263 HydrophobicContact CD1-CB 3.75Å
174	L	84.6	Confident	95.9	Very high	59 Å²	59	16.2 Å²	16.2	31%	0.309	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.1	115.7	-168.5	-173.7	64.4	0	0	0	113.3	R172 L176 D263 N425	R172-L174 PolarHBondContact O-N 2.92Å; L174-L176 PolarHBondContact O-N 3.13Å; L174-D263 PolarHBondContact N-OD1 3.47Å; L174-N425 HydrophobicContact CD2-CB 3.78Å; L174-N425 HydrophobicContact CG-CB 4.18Å
175	G	81.8	Confident	95.8	Very high	44 Å²	44	16.2 Å²	16.2	45%	0.454	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	-3.7	179.6	0	0	0	0	0	115.8	I173	I173-G175 PolarHBondContact O-N 3.32Å; I173-G175 VanDerWaalsContact O-N 3.11Å
176	L	89.1	Confident	95.8	Very high	57 Å²	57	16.4 Å²	16.4	30%	0.298	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.2	-19.3	-174.4	-57.8	179	0	0	0	113.6	G124 Q128 I173 L174 L179	G124-L176 VanDerWaalsContact C-CD1 3.46Å; G124-L176 VanDerWaalsContact CA-CD1 3.42Å; G124-L176 WeakPolarHBondContact O-CD1 3.41Å; Q128-L176 HydrophobicContact CG-CD1 4.11Å; I173-L176 HydrophobicContact CB-CB 4.35Å; I173-L176 HydrophobicContact CG2-CB 4.33Å; I173-L176 HydrophobicContact CG2-CD1 4.21Å; I173-L176 CarbonylContact O-C 3.57Å; I173-L176 WeakPolarHBondContact O-CA 3.3Å; I173-L176 PolarHBondContact O-N 2.64Å; L174-L176 PolarHBondContact O-N 3.13Å; L176-L179 HydrophobicContact CB-CD1 4.19Å; L176-L179 HydrophobicContact CD1-CD1 4.25Å
177	G	93.4	Very high	95.8	Very high	29 Å²	29	16.4 Å²	16.4	30%	0.299	10%	0.098	S	C	.	.	B	Isolated β-bridge	trans	80	-146.2	175.6	0	0	0	0	0	113.4	E171 I173 L179	E171-G177 CarbonylContact O-C 3.53Å; E171-G177 VanDerWaalsContact O-C 3.29Å; I173-G177 PolarHBondContact N-O 3.16Å; I173-G177 PolarHBondContact O-N 3.5Å; G177-L179 PolarHBondContact O-N 2.91Å
178	D	98	Very high	95.7	Very high	25 Å²	25	16.9 Å²	16.9	13%	0.134	10%	0.101	C	C	.	.			trans	-75.6	108.5	-174.5	-174.6	-8.2	0	0	0	111.2	E171 G180 T214 D215 N216 R232	E171-D178 WeakPolarHBondContact O-CA 3.2Å; E171-D178 WeakPolarHBondContact O-CB 3.41Å; E171-D178 PolarHBondContact O-N 3.06Å; E171-D178 VanDerWaalsContact O-N 3.13Å; D178-G180 PolarHBondContact OD1-N 2.88Å; D178-T214 PolarHBondContact OD1-OG1 3.03Å; D178-T214 PolarHBondContact OD2-OG1 3.16Å; D178-D215 PolarHBondContact OD2-N 3.04Å; D178-N216 HydrophobicContact CB-CB 4.44Å; D178-N216 WeakPolarHBondContact O-CB 3.47Å; D178-N216 PolarHBondContact O-ND2 3.03Å; D178-R232 VanDerWaalsContact CG-NE 3.31Å; D178-R232 IonicContact OD1-CZ 2.81Å; D178-R232 IonicContact OD1-NE 3.87Å; D178-R232 PolarHBondContact OD1-NE 3.28Å; D178-R232 IonicContact OD1-NH2 3.34Å; D178-R232 PolarHBondContact OD1-NH2 2.9Å; D178-R232 IonicContact OD2-CZ 2.94Å; D178-R232 IonicContact OD2-NE 3.83Å; D178-R232 PolarHBondContact OD2-NE 2.9Å; D178-R232 IonicContact OD2-NH2 2.79Å
179	L	98.3	Very high	95.7	Very high	8 Å²	8	17 Å²	17	4%	0.042	10%	0.103	C	C	.	.			trans	-108.3	3.7	173.5	-59.4	-173.5	0	0	0	112.7	C127 Q128 G170 I173 L176 G177 C181 H182 L219	C127-L179 HydrophobicContact CB-CD1 3.63Å; Q128-L179 HydrophobicContact CG-CD1 4.05Å; Q128-L179 HydrophobicContact CG-CD2 4.26Å; G170-L179 PolarHBondContact O-N 3.45Å; I173-L179 HydrophobicContact CB-CD1 3.97Å; I173-L179 HydrophobicContact CB-CG 4.18Å; I173-L179 HydrophobicContact CG1-CB 3.86Å; I173-L179 HydrophobicContact CG1-CD1 3.89Å; I173-L179 HydrophobicContact CG1-CG 3.9Å; I173-L179 HydrophobicContact CG2-CD1 4.04Å; L176-L179 HydrophobicContact CB-CD1 4.19Å; L176-L179 HydrophobicContact CD1-CD1 4.25Å; G177-L179 PolarHBondContact O-N 2.91Å; L179-C181 PolarHBondContact O-N 3.12Å; L179-H182 HydrophobicContact CB-CB 4.28Å; L179-H182 VanDerWaalsContact O-CB 3.27Å; L179-H182 WeakPolarHBondContact O-CB 3.13Å; L179-H182 PolarHBondContact O-N 2.94Å; L179-L219 VanDerWaalsContact C-CD1 3.49Å; L179-L219 VanDerWaalsContact O-CD1 3.3Å; L179-L219 WeakPolarHBondContact O-CD1 3.46Å
180	G	98.4	Very high	95.6	Very high	1 Å²	1	17 Å²	17	1%	0.01	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	50.4	-132.7	179.9	0	0	0	0	0	112.4	G170 D178 H182 G183	G170-G180 PolarHBondContact O-N 3.42Å; D178-G180 PolarHBondContact OD1-N 2.88Å; G180-H182 PolarHBondContact O-N 2.8Å; G180-H182 VanDerWaalsContact O-N 3.16Å; G180-G183 PolarHBondContact O-N 3.22Å
181	C	98.4	Very high	95.7	Very high	5 Å²	5	17.3 Å²	17.3	3%	0.034	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-62.7	-20.9	179.6	-172.8	0	0	0	0	114.5	L179 G183 M184 L209 D211 Y225	L179-C181 PolarHBondContact O-N 3.12Å; C181-G183 PolarHBondContact O-N 3.24Å; C181-M184 PolarHBondContact O-N 3Å; C181-L209 HydrophobicContact CB-CD2 4Å; C181-D211 WeakPolarHBondContact CB-OD2 3.26Å; C181-Y225 HydrophobicContact CB-CE2 4.29Å; C181-Y225 PolarHBondContact N-OH 2.95Å; C181-Y225 VanDerWaalsContact N-OH 3.13Å
182	H	98.4	Very high	95.7	Very high	2 Å²	2	15.9 Å²	15.9	1%	0.009	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-67.6	-14.2	174.8	-69.4	-168.9	0	0	0	113.2	C127 Y130 G131 L179 G180 M184 Y225	C127-H182 WeakPolarHBondContact CB-O 3.38Å; C127-H182 WeakPolarHBondContact O-CB 3.3Å; C127-H182 PolarHBondContact O-ND1 2.8Å; C127-H182 PolarHBondContact SG-O 3.35Å; Y130-H182 HydrophobicContact CG-CB 4.43Å; G131-H182 WeakPolarHBondContact CA-NE2 3.44Å; G131-H182 PolarHBondContact N-CE1 2.75Å; G131-H182 PolarHBondContact N-NE2 3Å; L179-H182 HydrophobicContact CB-CB 4.28Å; L179-H182 VanDerWaalsContact O-CB 3.27Å; L179-H182 WeakPolarHBondContact O-CB 3.13Å; L179-H182 PolarHBondContact O-N 2.94Å; G180-H182 PolarHBondContact O-N 2.8Å; G180-H182 VanDerWaalsContact O-N 3.16Å; H182-M184 PolarHBondContact O-N 2.7Å; H182-M184 VanDerWaalsContact O-N 3.16Å; H182-Y225 AromaticContact CD2-CD2 3.73Å; H182-Y225 AromaticContact CD2-CE2 3.95Å; H182-Y225 AromaticContact NE2-CD2 3.49Å; H182-Y225 WeakPolarHBondContact NE2-CD2 3.46Å
183	G	97.8	Very high	95.8	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-64.7	-9.3	175.5	0	0	0	0	0	115.3	G180 C181 G185 I186 P187	G180-G183 PolarHBondContact O-N 3.22Å; C181-G183 PolarHBondContact O-N 3.24Å; G183-G185 PolarHBondContact O-N 2.74Å; G183-I186 WeakPolarHBondContact O-CB 3.34Å; G183-I186 PolarHBondContact O-N 3.24Å; G183-P187 VanDerWaalsContact O-CD 3.3Å; G183-P187 WeakPolarHBondContact O-CD 3.41Å
184	M	98.4	Very high	96.1	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-57.3	-26	-178.9	175.9	58.1	88	0	0	113	Y130 L140 F141 C181 H182 I186 P187 V188 P207 L209	Y130-M184 HydrophobicContact CE1-CB 4.11Å; L140-M184 WeakPolarHBondContact O-CE 3.49Å; F141-M184 HydrophobicContact CD1-CE 3.81Å; F141-M184 HydrophobicContact CD2-CE 4.07Å; F141-M184 HydrophobicContact CE1-CB 3.84Å; F141-M184 HydrophobicContact CE1-CE 3.59Å; F141-M184 HydrophobicContact CE1-CG 3.89Å; F141-M184 HydrophobicContact CE2-CE 3.85Å; F141-M184 HydrophobicContact CG-CE 4.05Å; F141-M184 HydrophobicContact CZ-CB 4.13Å; F141-M184 HydrophobicContact CZ-CE 3.61Å; F141-M184 HydrophobicContact CZ-CG 3.71Å; C181-M184 PolarHBondContact O-N 3Å; H182-M184 PolarHBondContact O-N 2.7Å; H182-M184 VanDerWaalsContact O-N 3.16Å; M184-I186 PolarHBondContact O-N 3.44Å; M184-P187 WeakPolarHBondContact O-CD 3.21Å; M184-V188 HydrophobicContact CG-CG2 4.32Å; M184-V188 WeakPolarHBondContact O-CG2 3.06Å; M184-V188 PolarHBondContact O-N 2.93Å; M184-V188 HydrophobicContact SD-CG2 4.21Å; M184-P207 HydrophobicContact SD-CB 4.24Å; M184-L209 HydrophobicContact CB-CB 4.35Å; M184-L209 HydrophobicContact CB-CD1 4.07Å; M184-L209 HydrophobicContact CE-CB 3.5Å; M184-L209 VanDerWaalsContact N-CD1 3.28Å; M184-L209 HydrophobicContact SD-CB 4.21Å
185	G	96.9	Very high	96.7	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-56.7	-29.7	174	0	0	0	0	0	113.6	V123 G183 G189	V123-G185 VanDerWaalsContact CG2-O 3.31Å; V123-G185 WeakPolarHBondContact CG2-O 3.24Å; G183-G185 PolarHBondContact O-N 2.74Å; G185-G189 PolarHBondContact O-N 3.43Å
186	I	97.6	Very high	97.5	Very high	5 Å²	5	7.8 Å²	7.8	3%	0.026	5%	0.051	C	C	.	.	H	α-helix	trans	-70.3	-56.6	-177.9	-57.8	-56.8	0	0	0	112.2	V123 I173 G183 M184 V188 G189 K190 E262 D263	V123-I186 HydrophobicContact CB-CD1 4.49Å; V123-I186 HydrophobicContact CG1-CD1 3.7Å; V123-I186 HydrophobicContact CG2-CD1 4.06Å; I173-I186 HydrophobicContact CD1-CG1 3.93Å; I173-I186 HydrophobicContact CG2-CD1 4.04Å; I173-I186 HydrophobicContact CG2-CG1 4.01Å; G183-I186 WeakPolarHBondContact O-CB 3.34Å; G183-I186 PolarHBondContact O-N 3.24Å; M184-I186 PolarHBondContact O-N 3.44Å; I186-V188 PolarHBondContact O-N 3.38Å; I186-G189 PolarHBondContact O-N 2.87Å; I186-G189 VanDerWaalsContact O-N 3.15Å; I186-K190 WeakPolarHBondContact O-CB 3.27Å; I186-K190 PolarHBondContact O-N 3.42Å; I186-E262 HydrophobicContact CG2-CG 3.58Å; I186-D263 WeakPolarHBondContact CG2-OD2 3.08Å
187	P	98.6	Very high	97.9	Very high	0 Å²	0	5 Å²	5	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-53.6	-39.3	173.1	-29.8	34.1	0	0	0	113.9	C166 T168 G183 M184 L191 P207 V208	C166-P187 HydrophobicContact CB-CB 4.18Å; T168-P187 HydrophobicContact CG2-CG 3.54Å; G183-P187 VanDerWaalsContact O-CD 3.3Å; G183-P187 WeakPolarHBondContact O-CD 3.41Å; M184-P187 WeakPolarHBondContact O-CD 3.21Å; P187-L191 WeakPolarHBondContact O-CB 3.33Å; P187-L191 WeakPolarHBondContact O-CG 3.11Å; P187-L191 PolarHBondContact O-N 2.93Å; P187-P207 HydrophobicContact CB-CB 3.64Å; P187-V208 WeakPolarHBondContact CG-O 3.38Å
188	V	98.3	Very high	98.1	Very high	10 Å²	10	3.8 Å²	3.8	6%	0.061	2%	0.023	C	C	.	.	H	α-helix	trans	-63.8	-48.8	177.8	173.1	0	0	0	0	110.9	M96 R138 M184 I186 L191 A192 P207	M96-V188 HydrophobicContact CE-CG1 3.88Å; R138-V188 HydrophobicContact CB-CG2 4.01Å; M184-V188 HydrophobicContact CG-CG2 4.32Å; M184-V188 WeakPolarHBondContact O-CG2 3.06Å; M184-V188 PolarHBondContact O-N 2.93Å; M184-V188 HydrophobicContact SD-CG2 4.21Å; I186-V188 PolarHBondContact O-N 3.38Å; V188-L191 PolarHBondContact O-N 2.54Å; V188-A192 PolarHBondContact O-N 2.75Å; V188-P207 HydrophobicContact CG2-CB 3.94Å; V188-P207 HydrophobicContact CG2-CG 3.99Å
189	G	97.4	Very high	98	Very high	3 Å²	3	2.6 Å²	2.6	3%	0.031	2%	0.017	C	C	.	.	H	α-helix	trans	-64	-43	177.9	0	0	0	0	0	112.6	G185 I186 L191 A192 L193	G185-G189 PolarHBondContact O-N 3.43Å; I186-G189 PolarHBondContact O-N 2.87Å; I186-G189 VanDerWaalsContact O-N 3.15Å; G189-L191 PolarHBondContact O-N 2.67Å; G189-A192 WeakPolarHBondContact O-CB 3.45Å; G189-A192 PolarHBondContact O-N 3.33Å; G189-L193 PolarHBondContact O-N 3.01Å; G189-L193 VanDerWaalsContact O-N 3.14Å
190	K	97.9	Very high	98	Very high	0 Å²	0	2.2 Å²	2.2	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-54.7	-53.7	174.3	-93.2	-67.9	-164.7	-174.2	0	111.6	Y119 I186 A192 L193 Y194 Q260 E262 D285 F475	Y119-K190 HydrophobicContact CE2-CD 4.22Å; Y119-K190 HydrophobicContact CE2-CG 3.88Å; Y119-K190 WeakPolarHBondContact OH-CE 3.42Å; I186-K190 WeakPolarHBondContact O-CB 3.27Å; I186-K190 PolarHBondContact O-N 3.42Å; K190-A192 VanDerWaalsContact C-N 3.29Å; K190-A192 PolarHBondContact O-N 3.36Å; K190-L193 CarbonylContact O-C 3.48Å; K190-L193 WeakPolarHBondContact O-CA 3.44Å; K190-L193 WeakPolarHBondContact O-CB 3.45Å; K190-L193 PolarHBondContact O-N 3.22Å; K190-Y194 WeakPolarHBondContact O-CD2 3.41Å; K190-Y194 PolarHBondContact O-N 2.94Å; K190-Q260 VanDerWaalsContact CE-NE2 3.27Å; K190-E262 WeakPolarHBondContact CE-OE1 3.21Å; K190-E262 WeakPolarHBondContact CE-OE2 3.48Å; K190-E262 HydrophobicContact CG-CG 4.41Å; K190-E262 IonicContact NZ-OE1 3.96Å; K190-E262 PolarHBondContact NZ-OE1 2.88Å; K190-E262 IonicContact NZ-OE2 3.77Å; K190-D285 IonicContact NZ-OD1 3.04Å; K190-D285 IonicContact NZ-OD2 2.91Å; K190-D285 PolarHBondContact NZ-OD2 3.49Å; K190-F475 HydrophobicContact CD-CD1 4.16Å; K190-F475 HydrophobicContact CD-CD2 4.2Å; K190-F475 HydrophobicContact CD-CE1 3.77Å; K190-F475 HydrophobicContact CD-CE2 3.8Å; K190-F475 HydrophobicContact CD-CG 4.37Å; K190-F475 HydrophobicContact CD-CZ 3.59Å
191	L	98.5	Very high	97.9	Very high	8 Å²	8	3.4 Å²	3.4	4%	0.042	2%	0.023	C	C	.	.	H	α-helix	trans	-69.4	-28	-177.2	-67.4	171.1	0	0	0	112.4	A164 C166 P187 V188 G189 L193 Y194 T195 C205 P207	A164-L191 HydrophobicContact CB-CD2 4.45Å; C166-L191 HydrophobicContact CB-CD1 3.98Å; C166-L191 HydrophobicContact CB-CD2 3.97Å; C166-L191 HydrophobicContact CB-CG 3.79Å; P187-L191 WeakPolarHBondContact O-CB 3.33Å; P187-L191 WeakPolarHBondContact O-CG 3.11Å; P187-L191 PolarHBondContact O-N 2.93Å; V188-L191 PolarHBondContact O-N 2.54Å; G189-L191 PolarHBondContact O-N 2.67Å; L191-L193 VanDerWaalsContact C-N 3.26Å; L191-L193 PolarHBondContact O-N 3.44Å; L191-Y194 HydrophobicContact CD2-CD2 3.99Å; L191-Y194 HydrophobicContact CD2-CE2 4.35Å; L191-Y194 HydrophobicContact CD2-CG 4.18Å; L191-Y194 WeakPolarHBondContact O-CB 3.42Å; L191-Y194 PolarHBondContact O-N 3.21Å; L191-T195 PolarHBondContact O-N 2.98Å; L191-C205 HydrophobicContact CB-CB 4.08Å; L191-C205 HydrophobicContact CD1-CB 4.05Å; L191-C205 HydrophobicContact CD2-CB 3.94Å; L191-C205 HydrophobicContact CG-CB 4.23Å; L191-P207 HydrophobicContact CD1-CB 3.85Å; L191-P207 HydrophobicContact CD1-CG 3.99Å
192	A	98.4	Very high	97.9	Very high	4 Å²	4	3.8 Å²	3.8	3%	0.033	3%	0.025	C	C	.	.	H	α-helix	trans	-61.1	-36.7	167.8	0	0	0	0	0	111.8	F103 Y104 I118 V188 G189 K190 T195 A196	F103-A192 HydrophobicContact CE1-CB 4.33Å; F103-A192 HydrophobicContact CZ-CB 4.45Å; Y104-A192 HydrophobicContact CE1-CB 4.48Å; Y104-A192 WeakPolarHBondContact CE1-O 3.14Å; I118-A192 HydrophobicContact CD1-CB 4.2Å; V188-A192 PolarHBondContact O-N 2.75Å; G189-A192 WeakPolarHBondContact O-CB 3.45Å; G189-A192 PolarHBondContact O-N 3.33Å; K190-A192 VanDerWaalsContact C-N 3.29Å; K190-A192 PolarHBondContact O-N 3.36Å; A192-T195 PolarHBondContact O-N 3.45Å; A192-A196 VanDerWaalsContact O-CB 3.31Å; A192-A196 WeakPolarHBondContact O-CB 3.35Å; A192-A196 PolarHBondContact O-N 2.77Å
193	L	98.3	Very high	97.8	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-75.6	-30	174	-61.9	-173.3	0	0	0	113.4	M115 I118 Y119 G189 K190 L191 T195 C197 G198 A472 F475	M115-L193 HydrophobicContact CG-CD1 4.18Å; M115-L193 HydrophobicContact CG-CD2 3.86Å; M115-L193 HydrophobicContact SD-CD1 4.46Å; I118-L193 HydrophobicContact CD1-CD2 3.85Å; I118-L193 HydrophobicContact CG1-CD2 4.3Å; Y119-L193 HydrophobicContact CD1-CD1 3.5Å; Y119-L193 VanDerWaalsContact CD1-CD1 3.5Å; Y119-L193 HydrophobicContact CD2-CD1 4.19Å; Y119-L193 HydrophobicContact CE1-CD1 4.23Å; Y119-L193 HydrophobicContact CG-CD1 3.49Å; Y119-L193 VanDerWaalsContact CG-CD1 3.49Å; Y119-L193 HydrophobicContact CG-CG 4.34Å; G189-L193 PolarHBondContact O-N 3.01Å; G189-L193 VanDerWaalsContact O-N 3.14Å; K190-L193 CarbonylContact O-C 3.48Å; K190-L193 WeakPolarHBondContact O-CA 3.44Å; K190-L193 WeakPolarHBondContact O-CB 3.45Å; K190-L193 PolarHBondContact O-N 3.22Å; L191-L193 VanDerWaalsContact C-N 3.26Å; L191-L193 PolarHBondContact O-N 3.44Å; L193-T195 PolarHBondContact O-N 2.65Å; L193-C197 WeakPolarHBondContact O-CA 3.48Å; L193-C197 VanDerWaalsContact O-CB 3.22Å; L193-C197 WeakPolarHBondContact O-CB 3.22Å; L193-C197 PolarHBondContact O-N 3.02Å; L193-G198 PolarHBondContact O-N 2.91Å; L193-A472 HydrophobicContact CD1-CB 4.32Å; L193-F475 HydrophobicContact CB-CE2 3.85Å; L193-F475 HydrophobicContact CB-CZ 3.67Å; L193-F475 HydrophobicContact CD1-CZ 3.91Å; L193-F475 HydrophobicContact CG-CZ 4.43Å
194	Y	98.6	Very high	97.8	Very high	1 Å²	1	8.3 Å²	8.3	0%	0.004	5%	0.046	C	C	.	.	H	α-helix	trans	-54.9	-42	167.8	-91.7	-106.2	0	0	0	111.3	A164 K190 L191 G198 G199 M200 L258 Q260 F283 F475	A164-Y194 HydrophobicContact CB-CE1 4.34Å; K190-Y194 WeakPolarHBondContact O-CD2 3.41Å; K190-Y194 PolarHBondContact O-N 2.94Å; L191-Y194 HydrophobicContact CD2-CD2 3.99Å; L191-Y194 HydrophobicContact CD2-CE2 4.35Å; L191-Y194 HydrophobicContact CD2-CG 4.18Å; L191-Y194 WeakPolarHBondContact O-CB 3.42Å; L191-Y194 PolarHBondContact O-N 3.21Å; Y194-G198 CarbonylContact O-C 3.55Å; Y194-G198 VanDerWaalsContact O-C 3.24Å; Y194-G198 WeakPolarHBondContact O-CA 3.29Å; Y194-G198 PolarHBondContact O-N 2.92Å; Y194-G199 PolarHBondContact O-N 3.13Å; Y194-G199 VanDerWaalsContact O-N 3.08Å; Y194-M200 HydrophobicContact CD1-CB 4.48Å; Y194-M200 HydrophobicContact CD1-SD 3.57Å; Y194-M200 VanDerWaalsContact CD1-SD 3.57Å; Y194-M200 HydrophobicContact CE1-SD 4.2Å; Y194-M200 PolarHBondContact O-N 3Å; Y194-L258 HydrophobicContact CE1-CD2 3.96Å; Y194-Q260 VanDerWaalsContact CZ-OE1 3.23Å; Y194-Q260 PolarHBondContact OH-OE1 2.73Å; Y194-F283 WeakPolarHBondContact OH-CZ 3.45Å; Y194-F475 AromaticContact CD2-CD2 3.47Å; Y194-F475 HydrophobicContact CD2-CD2 3.47Å; Y194-F475 VanDerWaalsContact CD2-CD2 3.47Å; Y194-F475 AromaticContact CD2-CE2 3.6Å; Y194-F475 HydrophobicContact CD2-CE2 3.6Å; Y194-F475 HydrophobicContact CE2-CB 4.44Å; Y194-F475 AromaticContact CE2-CD2 3.23Å; Y194-F475 HydrophobicContact CE2-CD2 3.23Å; Y194-F475 AromaticContact CE2-CE2 3.81Å; Y194-F475 HydrophobicContact CE2-CE2 3.81Å; Y194-F475 HydrophobicContact CE2-CG 4.19Å; Y194-F475 HydrophobicContact CG-CD2 4.37Å; Y194-F475 AromaticContact CZ-CD2 3.97Å
195	T	98.5	Very high	97.8	Very high	1 Å²	1	8.8 Å²	8.8	1%	0.006	5%	0.049	C	C	.	.	H	α-helix	trans	-78.5	-49.3	177.4	-59.8	0	0	0	0	112.9	Y104 L191 A192 L193 G199 M200 P202 R524 Y562	Y104-T195 HydrophobicContact CD1-CG2 3.61Å; Y104-T195 HydrophobicContact CD2-CG2 3.81Å; Y104-T195 VanDerWaalsContact CE1-CB 3.42Å; Y104-T195 HydrophobicContact CE1-CG2 3.47Å; Y104-T195 VanDerWaalsContact CE1-CG2 3.47Å; Y104-T195 HydrophobicContact CE2-CG2 3.66Å; Y104-T195 HydrophobicContact CG-CG2 3.79Å; Y104-T195 VanDerWaalsContact CZ-CB 3.49Å; Y104-T195 VanDerWaalsContact CZ-CG2 3.48Å; L191-T195 PolarHBondContact O-N 2.98Å; A192-T195 PolarHBondContact O-N 3.45Å; L193-T195 PolarHBondContact O-N 2.65Å; T195-G199 VanDerWaalsContact O-CA 3.23Å; T195-G199 WeakPolarHBondContact O-CA 3.46Å; T195-G199 PolarHBondContact O-N 2.92Å; T195-M200 VanDerWaalsContact CA-O 3.28Å; T195-M200 WeakPolarHBondContact CA-O 3.35Å; T195-M200 VanDerWaalsContact CB-O 3.23Å; T195-M200 WeakPolarHBondContact CB-O 3.23Å; T195-M200 VanDerWaalsContact CG2-O 3.31Å; T195-M200 WeakPolarHBondContact CG2-O 3.47Å; T195-M200 PolarHBondContact OG1-O 2.88Å; T195-P202 HydrophobicContact CG2-CB 4.42Å; T195-P202 HydrophobicContact CG2-CG 4.29Å; T195-R524 PolarHBondContact O-NH1 3.21Å; T195-Y562 HydrophobicContact CG2-CD1 3.51Å; T195-Y562 HydrophobicContact CG2-CE1 3.98Å; T195-Y562 HydrophobicContact CG2-CG 4Å
196	A	98.1	Very high	97.9	Very high	4 Å²	4	8.8 Å²	8.8	3%	0.033	5%	0.049	C	C	.	.	H	α-helix	trans	-66.6	-48.6	-175.2	0	0	0	0	0	111.8	Y104 I107 T108 A192 R524	Y104-A196 HydrophobicContact CD1-CB 4.25Å; I107-A196 HydrophobicContact CB-CB 4.48Å; I107-A196 HydrophobicContact CG2-CB 3.75Å; T108-A196 HydrophobicContact CG2-CB 4.47Å; A192-A196 VanDerWaalsContact O-CB 3.31Å; A192-A196 WeakPolarHBondContact O-CB 3.35Å; A192-A196 PolarHBondContact O-N 2.77Å; A196-R524 PolarHBondContact O-NH1 3.25Å
197	C	97.9	Very high	97.9	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-39.9	-177.6	-53	0	0	0	0	112	L193 P476 I523 R524 S527	L193-C197 WeakPolarHBondContact O-CA 3.48Å; L193-C197 VanDerWaalsContact O-CB 3.22Å; L193-C197 WeakPolarHBondContact O-CB 3.22Å; L193-C197 PolarHBondContact O-N 3.02Å; C197-P476 HydrophobicContact CB-CB 3.99Å; C197-P476 HydrophobicContact CB-CG 3.8Å; C197-I523 HydrophobicContact CB-CD1 4.19Å; C197-I523 HydrophobicContact CB-CG1 4.23Å; C197-I523 HydrophobicContact CB-CG2 4.02Å; C197-R524 WeakPolarHBondContact O-CA 3.42Å; C197-S527 WeakPolarHBondContact O-CB 3.23Å; C197-S527 PolarHBondContact O-OG 3.48Å; C197-S527 VanDerWaalsContact O-OG 3.13Å
198	G	96.3	Very high	98	Very high	2 Å²	2	9.2 Å²	9.2	2%	0.021	5%	0.052	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-16.1	-176.7	0	0	0	0	0	114.5	L193 Y194 M200 P476 L480	L193-G198 PolarHBondContact O-N 2.91Å; Y194-G198 CarbonylContact O-C 3.55Å; Y194-G198 VanDerWaalsContact O-C 3.24Å; Y194-G198 WeakPolarHBondContact O-CA 3.29Å; Y194-G198 PolarHBondContact O-N 2.92Å; G198-M200 PolarHBondContact O-N 2.83Å; G198-P476 VanDerWaalsContact CA-CB 3.4Å; G198-P476 VanDerWaalsContact N-CB 3.31Å; G198-L480 WeakPolarHBondContact O-CD2 3.32Å
199	G	97.1	Very high	98	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.049	C	C	.	.			trans	71.3	16.1	-173	0	0	0	0	0	114.1	Y194 T195 R524 C561 Y562	Y194-G199 PolarHBondContact O-N 3.13Å; Y194-G199 VanDerWaalsContact O-N 3.08Å; T195-G199 VanDerWaalsContact O-CA 3.23Å; T195-G199 WeakPolarHBondContact O-CA 3.46Å; T195-G199 PolarHBondContact O-N 2.92Å; G199-R524 VanDerWaalsContact CA-NH1 3.31Å; G199-R524 VanDerWaalsContact CA-NH2 3.32Å; G199-C561 CarbonylContact O-C 3.48Å; G199-C561 VanDerWaalsContact O-CA 3.3Å; G199-C561 WeakPolarHBondContact O-CA 3.27Å; G199-Y562 WeakPolarHBondContact O-CB 3.38Å; G199-Y562 PolarHBondContact O-N 3.4Å
200	M	97.6	Very high	98	Very high	1 Å²	1	8.6 Å²	8.6	1%	0.005	5%	0.048	C	C	.	.			trans	-69.3	135.4	175.7	-163.1	166	-174	0	0	111.3	K163 A164 Y194 T195 G198 Q204 T483	K163-M200 HydrophobicContact CB-CE 3.57Å; A164-M200 HydrophobicContact CB-CE 3.49Å; A164-M200 VanDerWaalsContact CB-CE 3.49Å; A164-M200 HydrophobicContact CB-SD 3.66Å; Y194-M200 HydrophobicContact CD1-CB 4.48Å; Y194-M200 HydrophobicContact CD1-SD 3.57Å; Y194-M200 VanDerWaalsContact CD1-SD 3.57Å; Y194-M200 HydrophobicContact CE1-SD 4.2Å; Y194-M200 PolarHBondContact O-N 3Å; T195-M200 VanDerWaalsContact CA-O 3.28Å; T195-M200 WeakPolarHBondContact CA-O 3.35Å; T195-M200 VanDerWaalsContact CB-O 3.23Å; T195-M200 WeakPolarHBondContact CB-O 3.23Å; T195-M200 VanDerWaalsContact CG2-O 3.31Å; T195-M200 WeakPolarHBondContact CG2-O 3.47Å; T195-M200 PolarHBondContact OG1-O 2.88Å; G198-M200 PolarHBondContact O-N 2.83Å; M200-Q204 HydrophobicContact CE-CB 4.47Å; M200-T483 HydrophobicContact CE-CG2 3.49Å; M200-T483 VanDerWaalsContact CE-CG2 3.49Å
201	P	97.2	Very high	98.1	Very high	26 Å²	26	8.9 Å²	8.9	17%	0.169	5%	0.05	C	C	.	.			trans	-58.5	126.2	175.3	-26.3	35.8	0	0	0	112.1	Q203 Q204 C205	P201-Q203 PolarHBondContact O-N 3.5Å; P201-Q204 HydrophobicContact CB-CB 4.4Å; P201-Q204 HydrophobicContact CB-CG 4.03Å; P201-Q204 WeakPolarHBondContact O-CB 3.35Å; P201-Q204 PolarHBondContact O-N 3.25Å; P201-C205 PolarHBondContact O-SG 3.49Å; P201-C205 VanDerWaalsContact O-SG 3.41Å
202	P	97.6	Very high	98.1	Very high	13 Å²	13	8.5 Å²	8.5	8%	0.084	5%	0.048	C	C	.	.	G	3₁₀ helix	trans	-65.4	-26.9	-176	25.4	-33	0	0	0	112.8	E100 Y104 T195 Q204 C205 Y562	E100-P202 VanDerWaalsContact CD-CG 3.44Å; E100-P202 HydrophobicContact CG-CG 4.07Å; E100-P202 WeakPolarHBondContact OE1-CG 3.17Å; Y104-P202 HydrophobicContact CD2-CG 4.41Å; Y104-P202 HydrophobicContact CE2-CB 3.73Å; Y104-P202 HydrophobicContact CE2-CG 3.76Å; T195-P202 HydrophobicContact CG2-CB 4.42Å; T195-P202 HydrophobicContact CG2-CG 4.29Å; P202-Q204 PolarHBondContact O-N 3.12Å; P202-C205 WeakPolarHBondContact O-CB 3.49Å; P202-C205 PolarHBondContact O-N 3.13Å; P202-Y562 HydrophobicContact CG-CD2 4.21Å; P202-Y562 HydrophobicContact CG-CE2 3.84Å
203	Q	96.3	Very high	98.1	Very high	51 Å²	51	8.3 Å²	8.3	24%	0.238	5%	0.046	C	C	.	.	G	3₁₀ helix	trans	-65.7	-24.4	174	-64.9	76.7	9.6	0	0	112.8	H40 E100 E159 I162 P201 C205	H40-Q203 PolarHBondContact ND1-NE2 3.14Å; E100-Q203 PolarHBondContact OE1-NE2 2.78Å; E159-Q203 WeakPolarHBondContact CB-O 3.14Å; E159-Q203 HydrophobicContact CG-CB 4.37Å; I162-Q203 WeakPolarHBondContact CD1-O 3.49Å; P201-Q203 PolarHBondContact O-N 3.5Å; Q203-C205 VanDerWaalsContact C-N 3.26Å
204	Q	98.1	Very high	98.1	Very high	46 Å²	46	8.3 Å²	8.3	22%	0.215	5%	0.046	C	C	.	.	G	3₁₀ helix	trans	-88.4	4.4	178.1	-62.2	-176.5	-33.3	0	0	112.6	D161 K163 A164 M200 P201 P202	D161-Q204 WeakPolarHBondContact O-CA 3.47Å; D161-Q204 WeakPolarHBondContact O-CG 3.3Å; D161-Q204 PolarHBondContact OD2-NE2 2.8Å; K163-Q204 HydrophobicContact CB-CB 4.07Å; K163-Q204 HydrophobicContact CG-CB 3.99Å; K163-Q204 HydrophobicContact CG-CG 4.13Å; K163-Q204 PolarHBondContact N-O 3.46Å; A164-Q204 PolarHBondContact N-O 2.96Å; M200-Q204 HydrophobicContact CE-CB 4.47Å; P201-Q204 HydrophobicContact CB-CB 4.4Å; P201-Q204 HydrophobicContact CB-CG 4.03Å; P201-Q204 WeakPolarHBondContact O-CB 3.35Å; P201-Q204 PolarHBondContact O-N 3.25Å; P202-Q204 PolarHBondContact O-N 3.12Å
205	C	98.5	Very high	98.1	Very high	10 Å²	10	11.3 Å²	11.3	7%	0.068	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	133.6	-176.5	-64.2	0	0	0	0	110.9	A164 L191 P201 P202 Q203	A164-C205 CarbonylContact O-C 3.46Å; A164-C205 WeakPolarHBondContact O-CA 3.34Å; L191-C205 HydrophobicContact CB-CB 4.08Å; L191-C205 HydrophobicContact CD1-CB 4.05Å; L191-C205 HydrophobicContact CD2-CB 3.94Å; L191-C205 HydrophobicContact CG-CB 4.23Å; P201-C205 PolarHBondContact O-SG 3.49Å; P201-C205 VanDerWaalsContact O-SG 3.41Å; P202-C205 WeakPolarHBondContact O-CB 3.49Å; P202-C205 PolarHBondContact O-N 3.13Å; Q203-C205 VanDerWaalsContact C-N 3.26Å
206	L	98.7	Very high	98.1	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	107.4	179.1	172.8	57.9	0	0	0	111	L140 L154 W157 I162 A164 V165 C166 V208 I249 Y253	L140-L206 HydrophobicContact CB-CD1 4.21Å; L154-L206 HydrophobicContact CD2-CD2 4.44Å; W157-L206 HydrophobicContact CD2-CD1 3.5Å; W157-L206 VanDerWaalsContact CD2-CD1 3.5Å; W157-L206 HydrophobicContact CE3-CD1 3.76Å; W157-L206 HydrophobicContact CG-CD1 4.01Å; W157-L206 HydrophobicContact CH2-CD1 4.01Å; W157-L206 HydrophobicContact CZ2-CD1 3.76Å; W157-L206 HydrophobicContact CZ3-CD1 4.01Å; I162-L206 HydrophobicContact CD1-CB 4.15Å; I162-L206 HydrophobicContact CG1-CB 4.26Å; I162-L206 HydrophobicContact CG1-CD2 4.48Å; I162-L206 HydrophobicContact CG2-CB 3.67Å; I162-L206 HydrophobicContact CG2-CD2 4.36Å; A164-L206 PolarHBondContact O-N 3.07Å; V165-L206 VanDerWaalsContact CA-O 3.32Å; V165-L206 WeakPolarHBondContact CA-O 3.36Å; V165-L206 HydrophobicContact CG2-CB 4.21Å; V165-L206 HydrophobicContact CG2-CD2 4.31Å; C166-L206 PolarHBondContact N-O 3.4Å; L206-V208 HydrophobicContact CD1-CG2 4.35Å; L206-V208 HydrophobicContact CD2-CG2 4.23Å; L206-V208 HydrophobicContact CG-CG2 3.81Å; L206-I249 HydrophobicContact CD2-CD1 4.31Å; L206-Y253 HydrophobicContact CD2-CE2 3.96Å
207	P	98.8	Very high	98.1	Very high	13 Å²	13	17.6 Å²	17.6	8%	0.084	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	133.5	171	13.7	-6.3	0	0	0	110.2	G139 L140 M184 P187 V188 L191	G139-P207 CarbonylContact C-O 3.53Å; G139-P207 WeakPolarHBondContact CA-O 3.35Å; L140-P207 PolarHBondContact N-O 3.4Å; M184-P207 HydrophobicContact SD-CB 4.24Å; P187-P207 HydrophobicContact CB-CB 3.64Å; V188-P207 HydrophobicContact CG2-CB 3.94Å; V188-P207 HydrophobicContact CG2-CG 3.99Å; L191-P207 HydrophobicContact CD1-CB 3.85Å; L191-P207 HydrophobicContact CD1-CG 3.99Å
208	V	98.9	Very high	98.1	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	139	179.8	-177.9	0	0	0	0	110.8	L140 I142 V165 C166 V167 T168 P187 L206 L210 F245	L140-V208 HydrophobicContact CB-CG2 4.39Å; L140-V208 WeakPolarHBondContact O-CA 3.11Å; I142-V208 HydrophobicContact CD1-CG1 3.93Å; I142-V208 HydrophobicContact CG1-CG1 4.5Å; V165-V208 HydrophobicContact CG1-CB 4.36Å; V165-V208 HydrophobicContact CG1-CG2 3.69Å; C166-V208 PolarHBondContact O-N 3.45Å; V167-V208 WeakPolarHBondContact CA-O 3.36Å; V167-V208 HydrophobicContact CB-CB 4.18Å; V167-V208 HydrophobicContact CG2-CB 4.01Å; V167-V208 HydrophobicContact CG2-CG1 3.95Å; T168-V208 PolarHBondContact N-O 3.46Å; P187-V208 WeakPolarHBondContact CG-O 3.38Å; L206-V208 HydrophobicContact CD1-CG2 4.35Å; L206-V208 HydrophobicContact CD2-CG2 4.23Å; L206-V208 HydrophobicContact CG-CG2 3.81Å; V208-L210 HydrophobicContact CG1-CD2 3.94Å; V208-F245 HydrophobicContact CB-CE2 4.41Å; V208-F245 HydrophobicContact CG1-CE2 3.8Å; V208-F245 HydrophobicContact CG1-CZ 4.26Å; V208-F245 HydrophobicContact CG2-CE2 4.31Å
209	L	98.8	Very high	98.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	129.4	167.4	-177.6	126.1	0	0	0	110.4	L140 F141 I142 T168 C181 M184 D211	L140-L209 PolarHBondContact O-N 2.86Å; F141-L209 HydrophobicContact CD1-CB 4.28Å; F141-L209 HydrophobicContact CD1-CD2 3.96Å; F141-L209 HydrophobicContact CE1-CD2 4.5Å; I142-L209 PolarHBondContact N-O 2.71Å; T168-L209 HydrophobicContact CG2-CD1 3.91Å; T168-L209 WeakPolarHBondContact O-CA 3.39Å; C181-L209 HydrophobicContact CB-CD2 4Å; M184-L209 HydrophobicContact CB-CB 4.35Å; M184-L209 HydrophobicContact CB-CD1 4.07Å; M184-L209 HydrophobicContact CE-CB 3.5Å; M184-L209 VanDerWaalsContact N-CD1 3.28Å; M184-L209 HydrophobicContact SD-CB 4.21Å; L209-D211 HydrophobicContact CD2-CB 3.93Å
210	L	98.9	Very high	98.3	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	98.9	174.8	-55.6	-176.9	0	0	0	109.9	I142 V167 T168 D169 V208 V212 I242 F245	I142-L210 HydrophobicContact CB-CD2 3.85Å; I142-L210 HydrophobicContact CD1-CD2 4.22Å; I142-L210 HydrophobicContact CG2-CD2 4.22Å; I142-L210 CarbonylContact O-C 3.57Å; I142-L210 VanDerWaalsContact O-CA 3.27Å; I142-L210 WeakPolarHBondContact O-CA 3.4Å; V167-L210 HydrophobicContact CG2-CD1 3.79Å; V167-L210 HydrophobicContact CG2-CD2 4.27Å; V167-L210 HydrophobicContact CG2-CG 3.64Å; T168-L210 PolarHBondContact O-N 3.22Å; D169-L210 WeakPolarHBondContact CA-O 3.39Å; D169-L210 HydrophobicContact CB-CB 4.36Å; V208-L210 HydrophobicContact CG1-CD2 3.94Å; L210-V212 PolarHBondContact O-N 3.08Å; L210-I242 HydrophobicContact CD1-CD1 3.33Å; L210-F245 HydrophobicContact CD1-CD1 4.45Å; L210-F245 HydrophobicContact CD1-CG 4.48Å; L210-F245 HydrophobicContact CD2-CD2 4.07Å; L210-F245 HydrophobicContact CD2-CE2 4.42Å; L210-F245 HydrophobicContact CD2-CG 4.33Å
211	D	98.8	Very high	98.3	Very high	7 Å²	7	30.7 Å²	30.7	4%	0.037	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	104	179.6	-167	-10.4	0	0	0	110.9	I142 T143 V144 C181 L209 G213 G227 L228	I142-D211 PolarHBondContact O-N 2.85Å; T143-D211 CarbonylContact C-O 3.46Å; T143-D211 WeakPolarHBondContact CA-O 3.49Å; T143-D211 HydrophobicContact CG2-CB 4.34Å; V144-D211 PolarHBondContact N-O 2.87Å; C181-D211 WeakPolarHBondContact CB-OD2 3.26Å; L209-D211 HydrophobicContact CD2-CB 3.93Å; D211-G213 PolarHBondContact OD1-N 2.97Å; D211-G227 WeakPolarHBondContact OD2-CA 3.43Å; D211-L228 WeakPolarHBondContact O-CD1 3.36Å; D211-L228 PolarHBondContact OD2-N 3.16Å
212	V	98.8	Very high	98.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.168	C	C	.	.			trans	-106.3	14.4	175.3	-58.9	0	0	0	0	112.1	V144 L210 H230 R232 V233 Y238 L241	V144-V212 HydrophobicContact CB-CB 4.39Å; V144-V212 HydrophobicContact CB-CG1 4.18Å; L210-V212 PolarHBondContact O-N 3.08Å; V212-H230 PolarHBondContact O-CE1 2.97Å; V212-R232 HydrophobicContact CG2-CB 4.4Å; V212-R232 HydrophobicContact CG2-CG 4.3Å; V212-R232 CarbonylContact O-C 3.6Å; V212-R232 VanDerWaalsContact O-CA 3.31Å; V212-R232 WeakPolarHBondContact O-CA 3.34Å; V212-V233 HydrophobicContact CB-CB 4.48Å; V212-V233 PolarHBondContact O-N 3.12Å; V212-Y238 HydrophobicContact CB-CD2 4.31Å; V212-Y238 HydrophobicContact CG1-CD2 3.92Å; V212-Y238 HydrophobicContact CG1-CE2 4.22Å; V212-Y238 HydrophobicContact CG2-CD2 3.99Å; V212-Y238 HydrophobicContact CG2-CE2 4.01Å; V212-L241 HydrophobicContact CG1-CD2 3.64Å
213	G	98.7	Very high	98.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.195	C	C	.	.			trans	99.5	-178.1	-167.1	0	0	0	0	0	112.6	D211 H230 R232	D211-G213 PolarHBondContact OD1-N 2.97Å; G213-H230 CarbonylContact C-O 3.38Å; G213-H230 VanDerWaalsContact CA-O 3.24Å; G213-H230 WeakPolarHBondContact CA-O 3.49Å; G213-R232 VanDerWaalsContact O-CG 3.26Å; G213-R232 WeakPolarHBondContact O-CG 3.49Å
214	T	98.8	Very high	98.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.21	C	C	.	.			trans	-140.9	140.4	175.3	-178.4	0	0	0	0	110.3	D178 N216 L219 L220 Y225 H230 K231	D178-T214 PolarHBondContact OD1-OG1 3.03Å; D178-T214 PolarHBondContact OD2-OG1 3.16Å; T214-N216 VanDerWaalsContact C-N 3.28Å; T214-N216 WeakPolarHBondContact OG1-CB 3.26Å; T214-N216 PolarHBondContact OG1-N 2.8Å; T214-L219 HydrophobicContact CG2-CB 4.19Å; T214-L220 HydrophobicContact CG2-CD2 3.81Å; T214-L220 HydrophobicContact CG2-CG 4.09Å; T214-Y225 HydrophobicContact CG2-CE1 3.85Å; T214-Y225 WeakPolarHBondContact CG2-OH 3.49Å; T214-H230 PolarHBondContact N-O 3.29Å; T214-K231 WeakPolarHBondContact O-CA 3.19Å
215	D	98.6	Very high	98.4	Very high	63 Å²	63	37.8 Å²	37.8	34%	0.337	20%	0.201	S	C	.	.			trans	-86.2	-6.4	174	-67.3	-37.4	0	0	0	111.6	D178 Q217 K231 R232 R234	D178-D215 PolarHBondContact OD2-N 3.04Å; D215-Q217 PolarHBondContact O-N 2.74Å; D215-Q217 VanDerWaalsContact O-N 3.15Å; D215-Q217 PolarHBondContact O-NE2 3.21Å; D215-Q217 VanDerWaalsContact O-NE2 3.08Å; D215-K231 WeakPolarHBondContact OD1-CB 3.39Å; D215-R232 PolarHBondContact OD1-N 3.17Å; D215-R234 IonicContact OD2-CZ 2.99Å; D215-R234 IonicContact OD2-NH2 2.77Å; D215-R234 PolarHBondContact OD2-NH2 3.42Å
216	N	98.4	Very high	98.4	Very high	45 Å²	45	40.6 Å²	40.6	24%	0.241	22%	0.215	C	C	.	.			trans	-70.1	105.1	177.4	-172.1	-27.4	0	0	0	111.9	D178 T214 A218 L219 L220	D178-N216 HydrophobicContact CB-CB 4.44Å; D178-N216 WeakPolarHBondContact O-CB 3.47Å; D178-N216 PolarHBondContact O-ND2 3.03Å; T214-N216 VanDerWaalsContact C-N 3.28Å; T214-N216 WeakPolarHBondContact OG1-CB 3.26Å; T214-N216 PolarHBondContact OG1-N 2.8Å; N216-A218 PolarHBondContact O-N 3.25Å; N216-A218 WeakPolarHBondContact OD1-CB 3.24Å; N216-A218 PolarHBondContact OD1-N 3.49Å; N216-L219 HydrophobicContact CB-CB 4.25Å; N216-L219 HydrophobicContact CB-CD1 4.04Å; N216-L219 HydrophobicContact CB-CG 4.15Å; N216-L219 PolarHBondContact O-N 3.45Å; N216-L219 PolarHBondContact OD1-N 3.46Å; N216-L220 WeakPolarHBondContact O-CG 3.42Å; N216-L220 PolarHBondContact O-N 2.88Å; N216-L220 VanDerWaalsContact O-N 3.11Å
217	Q	98.4	Very high	98.4	Very high	92 Å²	92	41.3 Å²	41.3	43%	0.43	22%	0.222	S	C	.	.	H	α-helix	trans	-65.1	-24.4	-177.9	-60.9	-55.2	-59.2	0	0	114	D215 K221	D215-Q217 PolarHBondContact O-N 2.74Å; D215-Q217 VanDerWaalsContact O-N 3.15Å; D215-Q217 PolarHBondContact O-NE2 3.21Å; D215-Q217 VanDerWaalsContact O-NE2 3.08Å; Q217-K221 WeakPolarHBondContact O-CD 3.34Å; Q217-K221 VanDerWaalsContact O-CG 3.32Å; Q217-K221 WeakPolarHBondContact O-CG 3.44Å; Q217-K221 PolarHBondContact O-N 2.93Å
218	A	98.1	Very high	98.4	Very high	67 Å²	67	42.3 Å²	42.3	55%	0.554	23%	0.226	S	C	*	.	H	α-helix	trans	-70.1	-46.4	175.7	0	0	0	0	0	110.2	N216 L220 K221 D222	N216-A218 PolarHBondContact O-N 3.25Å; N216-A218 WeakPolarHBondContact OD1-CB 3.24Å; N216-A218 PolarHBondContact OD1-N 3.49Å; A218-L220 PolarHBondContact O-N 2.92Å; A218-K221 PolarHBondContact O-N 2.78Å; A218-D222 WeakPolarHBondContact O-CB 3.45Å; A218-D222 PolarHBondContact O-N 3.38Å
219	L	98.3	Very high	98.3	Very high	12 Å²	12	48 Å²	48	6%	0.063	25%	0.247	C	C	.	.	H	α-helix	trans	-64.6	-40.5	177.8	-66.4	-179.3	0	0	0	112.5	L179 T214 N216 K221 D222 Y225	L179-L219 VanDerWaalsContact C-CD1 3.49Å; L179-L219 VanDerWaalsContact O-CD1 3.3Å; L179-L219 WeakPolarHBondContact O-CD1 3.46Å; T214-L219 HydrophobicContact CG2-CB 4.19Å; N216-L219 HydrophobicContact CB-CB 4.25Å; N216-L219 HydrophobicContact CB-CD1 4.04Å; N216-L219 HydrophobicContact CB-CG 4.15Å; N216-L219 PolarHBondContact O-N 3.45Å; N216-L219 PolarHBondContact OD1-N 3.46Å; L219-K221 PolarHBondContact O-N 3.23Å; L219-D222 PolarHBondContact O-N 3.45Å; L219-D222 VanDerWaalsContact O-N 3.14Å; L219-Y225 HydrophobicContact CB-CD1 4.49Å; L219-Y225 HydrophobicContact CB-CD2 3.82Å; L219-Y225 HydrophobicContact CB-CE2 4.08Å; L219-Y225 HydrophobicContact CB-CG 4.06Å; L219-Y225 HydrophobicContact CD1-CD2 4.2Å; L219-Y225 HydrophobicContact CD1-CE2 3.92Å; L219-Y225 HydrophobicContact CD2-CD2 4Å; L219-Y225 HydrophobicContact CG-CD2 4.22Å; L219-Y225 HydrophobicContact CG-CE2 4.41Å; L219-Y225 WeakPolarHBondContact O-CB 3.46Å
220	L	98.4	Very high	98.3	Very high	34 Å²	34	50.8 Å²	50.8	18%	0.178	26%	0.26	C	S	.	.	H	α-helix	trans	-58.8	-31.4	176.6	-68.4	176.9	0	0	0	112.9	T214 N216 A218 R229	T214-L220 HydrophobicContact CG2-CD2 3.81Å; T214-L220 HydrophobicContact CG2-CG 4.09Å; N216-L220 WeakPolarHBondContact O-CG 3.42Å; N216-L220 PolarHBondContact O-N 2.88Å; N216-L220 VanDerWaalsContact O-N 3.11Å; A218-L220 PolarHBondContact O-N 2.92Å; L220-R229 PolarHBondContact O-NH1 3.2Å
221	K	98.2	Very high	98.3	Very high	166 Å²	166	57.3 Å²	57.3	72%	0.722	29%	0.289	S	S	*	.	H	α-helix	trans	-91	-18.5	179.2	-66.2	173.5	-174.2	177.7	0	113.5	Q217 A218 L219 P223	Q217-K221 WeakPolarHBondContact O-CD 3.34Å; Q217-K221 VanDerWaalsContact O-CG 3.32Å; Q217-K221 WeakPolarHBondContact O-CG 3.44Å; Q217-K221 PolarHBondContact O-N 2.93Å; A218-K221 PolarHBondContact O-N 2.78Å; L219-K221 PolarHBondContact O-N 3.23Å; K221-P223 WeakPolarHBondContact O-CD 3.17Å
222	D	97.9	Very high	98.3	Very high	50 Å²	50	57.6 Å²	57.6	27%	0.267	29%	0.289	S	S	.	.			trans	-72.7	119	-176.2	-179.1	-4.1	0	0	0	110.4	A218 L219 F224 Y225 R229	A218-D222 WeakPolarHBondContact O-CB 3.45Å; A218-D222 PolarHBondContact O-N 3.38Å; L219-D222 PolarHBondContact O-N 3.45Å; L219-D222 VanDerWaalsContact O-N 3.14Å; D222-F224 PolarHBondContact O-N 3.16Å; D222-F224 WeakPolarHBondContact OD1-CB 3.3Å; D222-F224 PolarHBondContact OD1-N 3.44Å; D222-Y225 WeakPolarHBondContact O-CB 3.43Å; D222-Y225 PolarHBondContact O-N 3.39Å; D222-Y225 VanDerWaalsContact O-N 3.12Å; D222-R229 PolarHBondContact O-NH1 3Å; D222-R229 PolarHBondContact O-NH2 3.18Å
223	P	97.4	Very high	98.3	Very high	102 Å²	102	59.5 Å²	59.5	66%	0.662	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-20.8	177.7	27.7	-36.5	0	0	0	113.7	K221 R229	K221-P223 WeakPolarHBondContact O-CD 3.17Å; P223-R229 PolarHBondContact O-NH2 2.99Å
224	F	97.4	Very high	98.3	Very high	125 Å²	125	64 Å²	64	55%	0.548	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-3	177.9	-57.4	-60.4	0	0	0	113.7	G131 D222 I226	G131-F224 WeakPolarHBondContact CA-O 3.46Å; D222-F224 PolarHBondContact O-N 3.16Å; D222-F224 WeakPolarHBondContact OD1-CB 3.3Å; D222-F224 PolarHBondContact OD1-N 3.44Å; F224-I226 WeakPolarHBondContact O-CG2 3.32Å; F224-I226 PolarHBondContact O-N 3.06Å
225	Y	98.4	Very high	98.2	Very high	8 Å²	8	66.2 Å²	66.2	3%	0.031	34%	0.341	C	S	.	.			trans	-62.4	125.1	174	-177.5	-120.1	0	0	0	111	C181 H182 T214 L219 D222 G227 L228 R229	C181-Y225 HydrophobicContact CB-CE2 4.29Å; C181-Y225 PolarHBondContact N-OH 2.95Å; C181-Y225 VanDerWaalsContact N-OH 3.13Å; H182-Y225 AromaticContact CD2-CD2 3.73Å; H182-Y225 AromaticContact CD2-CE2 3.95Å; H182-Y225 AromaticContact NE2-CD2 3.49Å; H182-Y225 WeakPolarHBondContact NE2-CD2 3.46Å; T214-Y225 HydrophobicContact CG2-CE1 3.85Å; T214-Y225 WeakPolarHBondContact CG2-OH 3.49Å; L219-Y225 HydrophobicContact CB-CD1 4.49Å; L219-Y225 HydrophobicContact CB-CD2 3.82Å; L219-Y225 HydrophobicContact CB-CE2 4.08Å; L219-Y225 HydrophobicContact CB-CG 4.06Å; L219-Y225 HydrophobicContact CD1-CD2 4.2Å; L219-Y225 HydrophobicContact CD1-CE2 3.92Å; L219-Y225 HydrophobicContact CD2-CD2 4Å; L219-Y225 HydrophobicContact CG-CD2 4.22Å; L219-Y225 HydrophobicContact CG-CE2 4.41Å; L219-Y225 WeakPolarHBondContact O-CB 3.46Å; D222-Y225 WeakPolarHBondContact O-CB 3.43Å; D222-Y225 PolarHBondContact O-N 3.39Å; D222-Y225 VanDerWaalsContact O-N 3.12Å; Y225-G227 WeakPolarHBondContact CE1-O 3.14Å; Y225-L228 WeakPolarHBondContact CE1-O 3.35Å; Y225-R229 HydrophobicContact CD1-CG 4.19Å; Y225-R229 PolarHBondContact O-NH2 2.95Å
226	I	97.7	Very high	98.1	Very high	69 Å²	69	69.1 Å²	69.1	35%	0.354	35%	0.352	S	S	.	.			trans	-97.4	0.3	-173.9	60.7	169.2	0	0	0	114	Y130 F134 F224	Y130-I226 HydrophobicContact CD1-CD1 3.84Å; Y130-I226 HydrophobicContact CE1-CD1 4.23Å; F134-I226 HydrophobicContact CD2-CD1 3.93Å; F134-I226 HydrophobicContact CE2-CD1 4.33Å; F134-I226 HydrophobicContact CG-CD1 4.44Å; F224-I226 WeakPolarHBondContact O-CG2 3.32Å; F224-I226 PolarHBondContact O-N 3.06Å
227	G	98.4	Very high	98.1	Very high	14 Å²	14	68.6 Å²	68.6	14%	0.144	35%	0.354	C	S	.	.	S	Bend	trans	-99.9	-174.1	178.7	0	0	0	0	0	114.7	D211 Y225 R229	D211-G227 WeakPolarHBondContact OD2-CA 3.43Å; Y225-G227 WeakPolarHBondContact CE1-O 3.14Å; G227-R229 PolarHBondContact O-N 2.85Å
228	L	98.7	Very high	98.1	Very high	34 Å²	34	64.3 Å²	64.3	18%	0.178	33%	0.334	C	S	.	.			trans	-65.3	123.7	177.3	-66.5	-179.4	0	0	0	111.9	T143 V144 D211 Y225 H230	T143-L228 HydrophobicContact CG2-CD1 4.45Å; V144-L228 HydrophobicContact CG1-CD1 4.05Å; D211-L228 WeakPolarHBondContact O-CD1 3.36Å; D211-L228 PolarHBondContact OD2-N 3.16Å; Y225-L228 WeakPolarHBondContact CE1-O 3.35Å; L228-H230 PolarHBondContact O-N 3.43Å
229	R	98.4	Very high	98.1	Very high	119 Å²	119	62.6 Å²	62.6	45%	0.449	32%	0.316	S	S	.	.	S	Bend	trans	-85.8	51	-176.5	-66.1	-179.9	-179.8	-88.3	-4	113.1	L220 D222 P223 Y225 G227	L220-R229 PolarHBondContact O-NH1 3.2Å; D222-R229 PolarHBondContact O-NH1 3Å; D222-R229 PolarHBondContact O-NH2 3.18Å; P223-R229 PolarHBondContact O-NH2 2.99Å; Y225-R229 HydrophobicContact CD1-CG 4.19Å; Y225-R229 PolarHBondContact O-NH2 2.95Å; G227-R229 PolarHBondContact O-N 2.85Å
230	H	98.6	Very high	98.1	Very high	59 Å²	59	64.4 Å²	64.4	27%	0.273	33%	0.325	S	S	.	.	S	Bend	trans	-143.8	165.2	170	63.3	73.9	0	0	0	110.9	H145 V212 G213 T214 L228	H145-H230 AromaticContact NE2-NE2 3.59Å; V212-H230 PolarHBondContact O-CE1 2.97Å; G213-H230 CarbonylContact C-O 3.38Å; G213-H230 VanDerWaalsContact CA-O 3.24Å; G213-H230 WeakPolarHBondContact CA-O 3.49Å; T214-H230 PolarHBondContact N-O 3.29Å; L228-H230 PolarHBondContact O-N 3.43Å
231	K	98.7	Very high	98.2	Very high	137 Å²	137	62.8 Å²	62.8	60%	0.596	32%	0.317	S	S	*	.	P	Polyproline II helix	trans	-60.8	155.8	174.6	-69.5	-169.4	178.8	-175.3	0	111.8	T214 D215 V233	T214-K231 WeakPolarHBondContact O-CA 3.19Å; D215-K231 WeakPolarHBondContact OD1-CB 3.39Å; K231-V233 PolarHBondContact O-N 3.33Å
232	R	98.7	Very high	98.2	Very high	13 Å²	13	54.9 Å²	54.9	5%	0.049	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-60	131.6	-176.9	-74.2	177.7	173.5	-83.8	-6.4	111.8	D169 G170 E171 D178 V212 G213 D215 R234	D169-R232 PolarHBondContact O-NH1 3.29Å; D169-R232 PolarHBondContact O-NH2 3.05Å; D169-R232 IonicContact OD2-NH1 3.04Å; G170-R232 VanDerWaalsContact C-NH2 3.28Å; G170-R232 PolarHBondContact O-NH2 3.09Å; E171-R232 VanDerWaalsContact CA-NH2 3.29Å; D178-R232 VanDerWaalsContact CG-NE 3.31Å; D178-R232 IonicContact OD1-CZ 2.81Å; D178-R232 IonicContact OD1-NE 3.87Å; D178-R232 PolarHBondContact OD1-NE 3.28Å; D178-R232 IonicContact OD1-NH2 3.34Å; D178-R232 PolarHBondContact OD1-NH2 2.9Å; D178-R232 IonicContact OD2-CZ 2.94Å; D178-R232 IonicContact OD2-NE 3.83Å; D178-R232 PolarHBondContact OD2-NE 2.9Å; D178-R232 IonicContact OD2-NH2 2.79Å; V212-R232 HydrophobicContact CG2-CB 4.4Å; V212-R232 HydrophobicContact CG2-CG 4.3Å; V212-R232 CarbonylContact O-C 3.6Å; V212-R232 VanDerWaalsContact O-CA 3.31Å; V212-R232 WeakPolarHBondContact O-CA 3.34Å; G213-R232 VanDerWaalsContact O-CG 3.26Å; G213-R232 WeakPolarHBondContact O-CG 3.49Å; D215-R232 PolarHBondContact OD1-N 3.17Å; R232-R234 VanDerWaalsContact CB-CZ 3.47Å; R232-R234 VanDerWaalsContact CB-NE 3.32Å
233	V	98.5	Very high	98.2	Very high	40 Å²	40	55.1 Å²	55.1	24%	0.242	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-72.5	132	168.3	178.2	0	0	0	0	108.8	V144 V212 K231 A237	V144-V233 HydrophobicContact CG1-CG2 4.07Å; V144-V233 HydrophobicContact CG2-CB 4.06Å; V144-V233 HydrophobicContact CG2-CG1 4.01Å; V144-V233 HydrophobicContact CG2-CG2 4.11Å; V212-V233 HydrophobicContact CB-CB 4.48Å; V212-V233 PolarHBondContact O-N 3.12Å; K231-V233 PolarHBondContact O-N 3.33Å; V233-A237 HydrophobicContact CG1-CB 3.73Å
234	R	97.6	Very high	98.3	Very high	96 Å²	96	52.2 Å²	52.2	36%	0.362	26%	0.261	S	S	.	.			trans	-127	173.6	-177.5	-52	-59.9	-177	164.8	11.9	110.9	E171 D215 R232	E171-R234 VanDerWaalsContact CD-NH2 3.3Å; E171-R234 IonicContact OE1-CZ 2.75Å; E171-R234 VanDerWaalsContact OE1-CZ 3.23Å; E171-R234 IonicContact OE1-NH1 2.77Å; E171-R234 PolarHBondContact OE1-NH1 3.12Å; E171-R234 IonicContact OE1-NH2 3.2Å; E171-R234 PolarHBondContact OE1-NH2 2.94Å; E171-R234 IonicContact OE2-CZ 3.9Å; E171-R234 IonicContact OE2-NH1 2.76Å; E171-R234 PolarHBondContact OE2-NH1 3.18Å; E171-R234 IonicContact OE2-NH2 3.18Å; D215-R234 IonicContact OD2-CZ 2.99Å; D215-R234 IonicContact OD2-NH2 2.77Å; D215-R234 PolarHBondContact OD2-NH2 3.42Å; R232-R234 VanDerWaalsContact CB-CZ 3.47Å; R232-R234 VanDerWaalsContact CB-NE 3.32Å
235	G	96.6	Very high	98.4	Very high	46 Å²	46	46.3 Å²	46.3	47%	0.474	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	-148.5	176.7	0	0	0	0	0	112.3	A237 Y238 D239	G235-A237 VanDerWaalsContact C-N 3.29Å; G235-A237 PolarHBondContact O-N 3.12Å; G235-Y238 WeakPolarHBondContact O-CB 3.44Å; G235-Y238 PolarHBondContact O-N 3.19Å; G235-D239 PolarHBondContact O-N 2.84Å; G235-D239 VanDerWaalsContact O-N 3.14Å
236	Q	97.8	Very high	98.4	Very high	124 Å²	124	45.9 Å²	45.9	58%	0.579	23%	0.234	S	C	*	.	H	α-helix	trans	-58.2	-38	-169	-167	61.6	48.2	0	0	113.7	Y238 D239 D240	Q236-Y238 VanDerWaalsContact C-N 3.3Å; Q236-Y238 PolarHBondContact O-N 3.1Å; Q236-D239 PolarHBondContact O-N 2.93Å; Q236-D239 VanDerWaalsContact O-N 3.16Å; Q236-D240 PolarHBondContact NE2-OD1 3.18Å; Q236-D240 WeakPolarHBondContact O-CB 3.24Å; Q236-D240 PolarHBondContact O-N 3.27Å
237	A	98	Very high	98.4	Very high	34 Å²	34	47.7 Å²	47.7	28%	0.281	24%	0.239	S	C	.	.	H	α-helix	trans	-63.8	-35.4	179.9	0	0	0	0	0	112.9	V233 G235 L241	V233-A237 HydrophobicContact CG1-CB 3.73Å; G235-A237 VanDerWaalsContact C-N 3.29Å; G235-A237 PolarHBondContact O-N 3.12Å; A237-L241 PolarHBondContact O-N 3.2Å
238	Y	98.6	Very high	98.5	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.008	24%	0.235	C	C	.	.	H	α-helix	trans	-67.5	-47.2	172.3	178.5	-84.5	0	0	0	110.1	D169 V212 G235 Q236 D240 L241 I242 F264 L272	D169-Y238 PolarHBondContact OD2-OH 2.7Å; V212-Y238 HydrophobicContact CB-CD2 4.31Å; V212-Y238 HydrophobicContact CG1-CD2 3.92Å; V212-Y238 HydrophobicContact CG1-CE2 4.22Å; V212-Y238 HydrophobicContact CG2-CD2 3.99Å; V212-Y238 HydrophobicContact CG2-CE2 4.01Å; G235-Y238 WeakPolarHBondContact O-CB 3.44Å; G235-Y238 PolarHBondContact O-N 3.19Å; Q236-Y238 VanDerWaalsContact C-N 3.3Å; Q236-Y238 PolarHBondContact O-N 3.1Å; Y238-D240 VanDerWaalsContact C-N 3.35Å; Y238-D240 PolarHBondContact O-N 2.67Å; Y238-L241 WeakPolarHBondContact O-CB 3.5Å; Y238-L241 PolarHBondContact O-N 3.34Å; Y238-L241 VanDerWaalsContact O-N 3.15Å; Y238-I242 HydrophobicContact CD1-CG1 3.99Å; Y238-I242 HydrophobicContact CE1-CD1 4.12Å; Y238-I242 HydrophobicContact CE1-CG1 3.66Å; Y238-I242 WeakPolarHBondContact O-CG1 3.33Å; Y238-I242 PolarHBondContact O-N 3.41Å; Y238-I242 VanDerWaalsContact O-N 3.07Å; Y238-F264 WeakPolarHBondContact OH-CD1 3.43Å; Y238-F264 WeakPolarHBondContact OH-CE1 3.25Å; Y238-L272 HydrophobicContact CE1-CD1 4.36Å
239	D	98.5	Very high	98.4	Very high	31 Å²	31	45.8 Å²	45.8	17%	0.166	23%	0.226	C	C	.	.	H	α-helix	trans	-62.8	-40	-177.9	-72.1	-11.7	0	0	0	113.1	G235 Q236 L241 I242 D243 R271	G235-D239 PolarHBondContact O-N 2.84Å; G235-D239 VanDerWaalsContact O-N 3.14Å; Q236-D239 PolarHBondContact O-N 2.93Å; Q236-D239 VanDerWaalsContact O-N 3.16Å; D239-L241 VanDerWaalsContact C-N 3.33Å; D239-I242 PolarHBondContact O-N 3.08Å; D239-D243 WeakPolarHBondContact O-CB 3.39Å; D239-D243 PolarHBondContact O-N 3.33Å; D239-R271 IonicContact OD1-CZ 2.69Å; D239-R271 IonicContact OD1-NH1 3.23Å; D239-R271 PolarHBondContact OD1-NH1 2.74Å; D239-R271 IonicContact OD1-NH2 2.67Å; D239-R271 PolarHBondContact OD1-NH2 3.07Å; D239-R271 IonicContact OD2-CZ 3.06Å; D239-R271 IonicContact OD2-NH1 3.6Å; D239-R271 PolarHBondContact OD2-NH1 2.9Å; D239-R271 VanDerWaalsContact OD2-NH1 3.14Å
240	D	98.6	Very high	98.4	Very high	49 Å²	49	40.4 Å²	40.4	26%	0.262	21%	0.207	S	C	.	.	H	α-helix	trans	-62.8	-40.1	175.4	-66.1	-18.6	0	0	0	111.4	R147 Q236 Y238 D243 E244	R147-D240 IonicContact NH1-OD2 3.74Å; R147-D240 PolarHBondContact NH1-OD2 2.91Å; Q236-D240 PolarHBondContact NE2-OD1 3.18Å; Q236-D240 WeakPolarHBondContact O-CB 3.24Å; Q236-D240 PolarHBondContact O-N 3.27Å; Y238-D240 VanDerWaalsContact C-N 3.35Å; Y238-D240 PolarHBondContact O-N 2.67Å; D240-D243 PolarHBondContact O-N 2.83Å; D240-E244 WeakPolarHBondContact O-CB 3.34Å; D240-E244 PolarHBondContact O-N 3.12Å
241	L	98.8	Very high	98.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63.6	-46.3	177.3	-178.3	74.7	0	0	0	110.9	I142 T143 V144 R147 I150 V212 A237 Y238 D239 E244 F245	I142-L241 HydrophobicContact CG2-CD1 4.42Å; T143-L241 WeakPolarHBondContact O-CD1 3.5Å; V144-L241 HydrophobicContact CB-CD2 4.43Å; R147-L241 HydrophobicContact CB-CD1 4.33Å; I150-L241 HydrophobicContact CD1-CD1 3.95Å; V212-L241 HydrophobicContact CG1-CD2 3.64Å; A237-L241 PolarHBondContact O-N 3.2Å; Y238-L241 WeakPolarHBondContact O-CB 3.5Å; Y238-L241 PolarHBondContact O-N 3.34Å; Y238-L241 VanDerWaalsContact O-N 3.15Å; D239-L241 VanDerWaalsContact C-N 3.33Å; L241-E244 PolarHBondContact O-N 2.83Å; L241-F245 WeakPolarHBondContact O-CB 3.31Å; L241-F245 PolarHBondContact O-N 3.02Å
242	I	98.8	Very high	98.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-66.2	-40.7	178.5	-49.4	-53.8	0	0	0	110.6	L210 Y238 D239 E244 F245 M246 F261 L272 Y276	L210-I242 HydrophobicContact CD1-CD1 3.33Å; Y238-I242 HydrophobicContact CD1-CG1 3.99Å; Y238-I242 HydrophobicContact CE1-CD1 4.12Å; Y238-I242 HydrophobicContact CE1-CG1 3.66Å; Y238-I242 WeakPolarHBondContact O-CG1 3.33Å; Y238-I242 PolarHBondContact O-N 3.41Å; Y238-I242 VanDerWaalsContact O-N 3.07Å; D239-I242 PolarHBondContact O-N 3.08Å; I242-E244 PolarHBondContact O-N 2.71Å; I242-F245 WeakPolarHBondContact O-CB 3.38Å; I242-F245 PolarHBondContact O-N 2.85Å; I242-M246 HydrophobicContact CG2-CG 4.19Å; I242-M246 VanDerWaalsContact O-CG 3.27Å; I242-M246 WeakPolarHBondContact O-CG 3.14Å; I242-M246 PolarHBondContact O-N 2.94Å; I242-F261 HydrophobicContact CG2-CE1 4.36Å; I242-F261 HydrophobicContact CG2-CZ 4.49Å; I242-L272 HydrophobicContact CB-CD2 4.41Å; I242-L272 HydrophobicContact CG1-CD2 4.31Å; I242-L272 HydrophobicContact CG2-CD2 4.13Å; I242-Y276 HydrophobicContact CG2-CE2 3.57Å
243	D	98.8	Very high	98.3	Very high	56 Å²	56	40 Å²	40	30%	0.299	21%	0.207	S	C	.	.	H	α-helix	trans	-60	-45.2	176.2	-80	-23.9	0	0	0	112.1	D239 D240 K247 K275 Y276	D239-D243 WeakPolarHBondContact O-CB 3.39Å; D239-D243 PolarHBondContact O-N 3.33Å; D240-D243 PolarHBondContact O-N 2.83Å; D243-K247 WeakPolarHBondContact O-CB 3.44Å; D243-K247 PolarHBondContact O-N 3.03Å; D243-K247 VanDerWaalsContact O-N 3.08Å; D243-K275 WeakPolarHBondContact OD1-CE 3.39Å; D243-K275 IonicContact OD1-NZ 3.14Å; D243-K275 PolarHBondContact OD1-NZ 3.49Å; D243-K275 IonicContact OD2-NZ 3.57Å; D243-K275 PolarHBondContact OD2-NZ 2.86Å; D243-Y276 PolarHBondContact N-OH 2.86Å; D243-Y276 WeakPolarHBondContact OD1-CE1 3.26Å; D243-Y276 VanDerWaalsContact OD1-CZ 3.28Å; D243-Y276 PolarHBondContact OD1-OH 3.19Å
244	E	98.8	Very high	98.2	Very high	41 Å²	41	38.5 Å²	38.5	19%	0.192	20%	0.199	C	C	.	.	H	α-helix	trans	-63.3	-43.1	174.6	-173.5	-171.6	163.7	0	0	111.5	R147 G148 H149 I150 D240 L241 I242 K247 A248	R147-E244 VanDerWaalsContact CA-OE2 3.3Å; R147-E244 WeakPolarHBondContact CA-OE2 3.44Å; R147-E244 WeakPolarHBondContact CG-OE2 3.47Å; G148-E244 VanDerWaalsContact C-OE1 3.26Å; G148-E244 WeakPolarHBondContact CA-OE1 3.44Å; G148-E244 PolarHBondContact N-OE1 3.19Å; G148-E244 PolarHBondContact N-OE2 3.3Å; H149-E244 PolarHBondContact N-OE1 3.11Å; I150-E244 HydrophobicContact CB-CG 4.26Å; I150-E244 HydrophobicContact CD1-CB 3.99Å; I150-E244 HydrophobicContact CD1-CG 3.85Å; I150-E244 HydrophobicContact CG1-CG 4.17Å; I150-E244 WeakPolarHBondContact CG1-OE1 3.32Å; I150-E244 PolarHBondContact N-OE1 3.11Å; D240-E244 WeakPolarHBondContact O-CB 3.34Å; D240-E244 PolarHBondContact O-N 3.12Å; L241-E244 PolarHBondContact O-N 2.83Å; I242-E244 PolarHBondContact O-N 2.71Å; E244-K247 PolarHBondContact O-N 2.98Å; E244-A248 WeakPolarHBondContact O-CB 3.38Å; E244-A248 PolarHBondContact O-N 3.37Å
245	F	98.9	Very high	98.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-58.5	-52.9	178.2	168.6	-102.4	0	0	0	111.6	I142 I150 V165 V167 V208 L210 L241 I242 K247 A248 I249 I259	I142-F245 HydrophobicContact CD1-CD2 3.82Å; I142-F245 HydrophobicContact CD1-CE2 4.07Å; I150-F245 HydrophobicContact CD1-CB 3.92Å; V165-F245 HydrophobicContact CG1-CZ 4.08Å; V167-F245 HydrophobicContact CB-CE1 4.19Å; V167-F245 HydrophobicContact CB-CZ 3.99Å; V167-F245 HydrophobicContact CG1-CE1 3.98Å; V167-F245 HydrophobicContact CG1-CZ 4.25Å; V167-F245 HydrophobicContact CG2-CE1 4.04Å; V167-F245 HydrophobicContact CG2-CZ 3.87Å; V208-F245 HydrophobicContact CB-CE2 4.41Å; V208-F245 HydrophobicContact CG1-CE2 3.8Å; V208-F245 HydrophobicContact CG1-CZ 4.26Å; V208-F245 HydrophobicContact CG2-CE2 4.31Å; L210-F245 HydrophobicContact CD1-CD1 4.45Å; L210-F245 HydrophobicContact CD1-CG 4.48Å; L210-F245 HydrophobicContact CD2-CD2 4.07Å; L210-F245 HydrophobicContact CD2-CE2 4.42Å; L210-F245 HydrophobicContact CD2-CG 4.33Å; L241-F245 WeakPolarHBondContact O-CB 3.31Å; L241-F245 PolarHBondContact O-N 3.02Å; I242-F245 WeakPolarHBondContact O-CB 3.38Å; I242-F245 PolarHBondContact O-N 2.85Å; F245-K247 VanDerWaalsContact C-N 3.28Å; F245-K247 PolarHBondContact O-N 3.22Å; F245-A248 PolarHBondContact O-N 2.78Å; F245-I249 HydrophobicContact CD2-CG1 3.98Å; F245-I249 HydrophobicContact CE1-CG1 4.33Å; F245-I249 HydrophobicContact CE2-CD1 3.85Å; F245-I249 HydrophobicContact CE2-CG1 3.51Å; F245-I249 HydrophobicContact CZ-CD1 4.28Å; F245-I249 HydrophobicContact CZ-CG1 3.73Å; F245-I249 WeakPolarHBondContact O-CG1 3.37Å; F245-I249 PolarHBondContact O-N 3.06Å; F245-I259 HydrophobicContact CE1-CG2 4.08Å
246	M	98.8	Very high	98	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-57.9	-44.1	179.2	-65.9	-59.5	-72.3	0	0	110.9	I242 S250 I259 F261 Y276 Y280 T282	I242-M246 HydrophobicContact CG2-CG 4.19Å; I242-M246 VanDerWaalsContact O-CG 3.27Å; I242-M246 WeakPolarHBondContact O-CG 3.14Å; I242-M246 PolarHBondContact O-N 2.94Å; M246-S250 PolarHBondContact O-N 3.34Å; M246-S250 PolarHBondContact O-OG 3.3Å; M246-I259 HydrophobicContact CE-CB 4.34Å; M246-I259 HydrophobicContact CE-CD1 3.65Å; M246-I259 HydrophobicContact CE-CG2 4.27Å; M246-I259 HydrophobicContact SD-CD1 3.8Å; M246-I259 HydrophobicContact SD-CG2 3.93Å; M246-F261 HydrophobicContact CE-CE2 4.16Å; M246-F261 HydrophobicContact CE-CZ 4.21Å; M246-F261 HydrophobicContact SD-CE2 4.11Å; M246-F261 HydrophobicContact SD-CZ 3.62Å; M246-Y276 HydrophobicContact CB-CE1 4.43Å; M246-Y276 HydrophobicContact CE-CD1 4.45Å; M246-Y276 HydrophobicContact CE-CD2 4.32Å; M246-Y276 HydrophobicContact CE-CG 4.01Å; M246-Y276 HydrophobicContact CG-CD1 4.11Å; M246-Y276 HydrophobicContact CG-CD2 4.16Å; M246-Y276 HydrophobicContact CG-CE1 3.96Å; M246-Y276 HydrophobicContact CG-CE2 4.03Å; M246-Y276 HydrophobicContact CG-CG 4.22Å; M246-Y280 HydrophobicContact CB-CD2 4.2Å; M246-Y280 HydrophobicContact CB-CE1 4.26Å; M246-Y280 HydrophobicContact CB-CE2 3.77Å; M246-Y280 HydrophobicContact CE-CD1 4.42Å; M246-Y280 HydrophobicContact CE-CD2 3.69Å; M246-Y280 HydrophobicContact CE-CE2 4.42Å; M246-Y280 HydrophobicContact CE-CG 3.68Å; M246-Y280 WeakPolarHBondContact O-CE1 3.43Å; M246-T282 HydrophobicContact CE-CG2 4.34Å
247	K	98.8	Very high	98	Very high	107 Å²	107	33.4 Å²	33.4	47%	0.465	17%	0.17	S	C	.	.	H	α-helix	trans	-63.7	-48.1	177	-168.3	-166.4	-174.6	-44.8	0	112	D243 E244 F245 I249 S250 D251	D243-K247 WeakPolarHBondContact O-CB 3.44Å; D243-K247 PolarHBondContact O-N 3.03Å; D243-K247 VanDerWaalsContact O-N 3.08Å; E244-K247 PolarHBondContact O-N 2.98Å; F245-K247 VanDerWaalsContact C-N 3.28Å; F245-K247 PolarHBondContact O-N 3.22Å; K247-I249 PolarHBondContact O-N 3.05Å; K247-S250 PolarHBondContact O-N 3.33Å; K247-D251 IonicContact NZ-OD1 3.42Å; K247-D251 PolarHBondContact NZ-OD1 2.9Å; K247-D251 IonicContact NZ-OD2 3.35Å; K247-D251 PolarHBondContact NZ-OD2 2.97Å; K247-D251 VanDerWaalsContact O-CB 3.3Å; K247-D251 WeakPolarHBondContact O-CB 3.47Å; K247-D251 PolarHBondContact O-N 3.16Å
248	A	98.8	Very high	98	Very high	7 Å²	7	31.8 Å²	31.8	6%	0.058	16%	0.157	C	C	.	.	H	α-helix	trans	-66	-39.7	-174.8	0	0	0	0	0	112.2	I150 L154 E244 F245 R252	I150-A248 HydrophobicContact CB-CB 4.08Å; I150-A248 HydrophobicContact CG2-CB 3.63Å; L154-A248 HydrophobicContact CD1-CB 3.8Å; L154-A248 WeakPolarHBondContact CD1-O 3.4Å; E244-A248 WeakPolarHBondContact O-CB 3.38Å; E244-A248 PolarHBondContact O-N 3.37Å; F245-A248 PolarHBondContact O-N 2.78Å; A248-R252 WeakPolarHBondContact O-CB 3.27Å; A248-R252 PolarHBondContact O-N 2.86Å; A248-R252 VanDerWaalsContact O-N 3.15Å
249	I	98.5	Very high	98	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-60.5	-52.4	173.6	-68.9	-64.4	0	0	0	110.3	L154 V165 L206 F245 K247 D251 R252 Y253 I259	L154-I249 HydrophobicContact CD1-CD1 4.05Å; L154-I249 HydrophobicContact CD2-CD1 3.59Å; V165-I249 HydrophobicContact CG2-CD1 4.27Å; V165-I249 HydrophobicContact CG2-CG2 4Å; L206-I249 HydrophobicContact CD2-CD1 4.31Å; F245-I249 HydrophobicContact CD2-CG1 3.98Å; F245-I249 HydrophobicContact CE1-CG1 4.33Å; F245-I249 HydrophobicContact CE2-CD1 3.85Å; F245-I249 HydrophobicContact CE2-CG1 3.51Å; F245-I249 HydrophobicContact CZ-CD1 4.28Å; F245-I249 HydrophobicContact CZ-CG1 3.73Å; F245-I249 WeakPolarHBondContact O-CG1 3.37Å; F245-I249 PolarHBondContact O-N 3.06Å; K247-I249 PolarHBondContact O-N 3.05Å; I249-D251 PolarHBondContact O-N 3.08Å; I249-R252 PolarHBondContact O-N 3.21Å; I249-Y253 HydrophobicContact CD1-CD2 4.26Å; I249-Y253 HydrophobicContact CD1-CE2 4.15Å; I249-Y253 HydrophobicContact CG2-CD2 4.27Å; I249-Y253 WeakPolarHBondContact O-CB 3.29Å; I249-Y253 PolarHBondContact O-N 2.78Å; I249-I259 HydrophobicContact CB-CD1 4.03Å; I249-I259 HydrophobicContact CG2-CD1 3.62Å; I249-I259 HydrophobicContact CG2-CG1 3.87Å
250	S	97.4	Very high	98	Very high	7 Å²	7	30.2 Å²	30.2	5%	0.049	15%	0.149	C	C	.	.	H	α-helix	trans	-70.6	-32.8	-176.6	-58.2	0	0	0	0	114	M246 K247 R252 G254 Y280	M246-S250 PolarHBondContact O-N 3.34Å; M246-S250 PolarHBondContact O-OG 3.3Å; K247-S250 PolarHBondContact O-N 3.33Å; S250-R252 VanDerWaalsContact C-N 3.33Å; S250-G254 WeakPolarHBondContact CA-O 3.09Å; S250-G254 CarbonylContact O-C 3.57Å; S250-G254 VanDerWaalsContact O-C 3.29Å; S250-G254 WeakPolarHBondContact O-CA 3.49Å; S250-G254 PolarHBondContact O-N 3.47Å; S250-Y280 WeakPolarHBondContact OG-CD1 3.17Å; S250-Y280 VanDerWaalsContact OG-CE1 3.31Å; S250-Y280 WeakPolarHBondContact OG-CE1 3.46Å
251	D	98.1	Very high	98	Very high	97 Å²	97	28 Å²	28	52%	0.519	14%	0.137	S	C	.	.	H	α-helix	trans	-61.6	-42.6	173.2	-77.7	-10.3	0	0	0	111.1	K247 I249	K247-D251 IonicContact NZ-OD1 3.42Å; K247-D251 PolarHBondContact NZ-OD1 2.9Å; K247-D251 IonicContact NZ-OD2 3.35Å; K247-D251 PolarHBondContact NZ-OD2 2.97Å; K247-D251 VanDerWaalsContact O-CB 3.3Å; K247-D251 WeakPolarHBondContact O-CB 3.47Å; K247-D251 PolarHBondContact O-N 3.16Å; I249-D251 PolarHBondContact O-N 3.08Å
252	R	97.8	Very high	98	Very high	86 Å²	86	28.1 Å²	28.1	33%	0.325	14%	0.137	S	C	.	.	H	α-helix	trans	-79.5	-46.3	-176.3	-176.9	176.8	174.3	90.2	-0.7	112.7	L154 A248 I249 S250	L154-R252 VanDerWaalsContact C-CZ 3.47Å; L154-R252 VanDerWaalsContact CB-CD 3.41Å; L154-R252 HydrophobicContact CD1-CB 4.43Å; L154-R252 PolarHBondContact O-NE 2.9Å; L154-R252 PolarHBondContact O-NH2 3.22Å; A248-R252 WeakPolarHBondContact O-CB 3.27Å; A248-R252 PolarHBondContact O-N 2.86Å; A248-R252 VanDerWaalsContact O-N 3.15Å; I249-R252 PolarHBondContact O-N 3.21Å; S250-R252 VanDerWaalsContact C-N 3.33Å
253	Y	97.8	Very high	97.9	Very high	18 Å²	18	28.3 Å²	28.3	7%	0.071	14%	0.138	C	C	.	.	H	α-helix	trans	-108.2	-9.3	-167.7	-59.4	-58.5	0	0	0	114.1	L154 K160 I162 L206 I249	L154-Y253 HydrophobicContact CD2-CE2 4.26Å; K160-Y253 WeakPolarHBondContact O-CD1 3.32Å; I162-Y253 HydrophobicContact CB-CD1 3.64Å; I162-Y253 HydrophobicContact CB-CD2 4.05Å; I162-Y253 HydrophobicContact CB-CE1 3.75Å; I162-Y253 HydrophobicContact CB-CE2 4.15Å; I162-Y253 HydrophobicContact CB-CG 3.79Å; I162-Y253 HydrophobicContact CG1-CD1 3.95Å; I162-Y253 HydrophobicContact CG1-CE1 3.49Å; I162-Y253 VanDerWaalsContact CG1-CE1 3.49Å; I162-Y253 HydrophobicContact CG1-CE2 4.15Å; I162-Y253 HydrophobicContact CG1-CG 4.44Å; I162-Y253 HydrophobicContact CG2-CD2 4.38Å; I162-Y253 HydrophobicContact CG2-CG 4.48Å; L206-Y253 HydrophobicContact CD2-CE2 3.96Å; I249-Y253 HydrophobicContact CD1-CD2 4.26Å; I249-Y253 HydrophobicContact CD1-CE2 4.15Å; I249-Y253 HydrophobicContact CG2-CD2 4.27Å; I249-Y253 WeakPolarHBondContact O-CB 3.29Å; I249-Y253 PolarHBondContact O-N 2.78Å
254	G	96.2	Very high	97.8	Very high	7 Å²	7	25.7 Å²	25.7	7%	0.072	12%	0.124	C	C	.	.			trans	106.9	157.3	179.9	0	0	0	0	0	113.3	S250 D256 C257	S250-G254 WeakPolarHBondContact CA-O 3.09Å; S250-G254 CarbonylContact O-C 3.57Å; S250-G254 VanDerWaalsContact O-C 3.29Å; S250-G254 WeakPolarHBondContact O-CA 3.49Å; S250-G254 PolarHBondContact O-N 3.47Å; G254-D256 PolarHBondContact O-N 2.95Å; G254-C257 VanDerWaalsContact O-CB 3.24Å; G254-C257 WeakPolarHBondContact O-CB 3.37Å; G254-C257 PolarHBondContact O-N 2.86Å
255	M	95.6	Very high	97.5	Very high	101 Å²	101	24.7 Å²	24.7	50%	0.498	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-17.2	177.7	-69.5	-59.5	-53.1	0	0	113.1	K279 Y280	M255-K279 WeakPolarHBondContact CE-O 3.39Å; M255-Y280 HydrophobicContact CE-CD1 3.77Å; M255-Y280 HydrophobicContact CE-CE1 4.07Å; M255-Y280 HydrophobicContact SD-CD1 4.49Å; M255-Y280 HydrophobicContact SD-CE1 4.42Å
256	D	94.2	Very high	96.9	Very high	57 Å²	57	27.7 Å²	27.7	31%	0.305	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-2.6	174.8	59	-36.3	0	0	0	113	G254 L258 A486	G254-D256 PolarHBondContact O-N 2.95Å; D256-L258 PolarHBondContact O-N 3.47Å; D256-A486 HydrophobicContact CB-CB 4.13Å
257	C	97.9	Very high	96.4	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.007	17%	0.174	C	C	.	.	S	Bend	trans	-67.5	119.3	170.6	-169	0	0	0	0	109.4	I162 G254	I162-C257 PolarHBondContact O-SG 2.95Å; I162-C257 VanDerWaalsContact O-SG 3.42Å; G254-C257 VanDerWaalsContact O-CB 3.24Å; G254-C257 WeakPolarHBondContact O-CB 3.37Å; G254-C257 PolarHBondContact O-N 2.86Å
258	L	98.7	Very high	96.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	130.9	177.4	166.3	63.9	0	0	0	110.1	K163 A164 V165 Y194 D256 C281 F283 V482 I490	K163-L258 WeakPolarHBondContact O-CB 3.28Å; K163-L258 PolarHBondContact O-N 3.03Å; A164-L258 CarbonylContact C-O 3.6Å; A164-L258 WeakPolarHBondContact CA-O 3.41Å; A164-L258 HydrophobicContact CB-CB 4.41Å; A164-L258 HydrophobicContact CB-CD2 4.15Å; V165-L258 PolarHBondContact N-O 2.61Å; Y194-L258 HydrophobicContact CE1-CD2 3.96Å; D256-L258 PolarHBondContact O-N 3.47Å; L258-C281 CarbonylContact C-O 3.59Å; L258-C281 WeakPolarHBondContact CA-O 3.38Å; L258-F283 HydrophobicContact CD1-CD1 3.55Å; L258-F283 HydrophobicContact CD1-CE1 3.56Å; L258-F283 HydrophobicContact CD2-CE1 4.1Å; L258-F283 HydrophobicContact CG-CE1 4.34Å; L258-V482 HydrophobicContact CB-CG1 4.13Å; L258-V482 HydrophobicContact CD1-CG1 4.48Å; L258-I490 HydrophobicContact CD1-CD1 3.64Å
259	I	98.8	Very high	96	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	105	172.3	-55.1	172.2	0	0	0	108.7	V165 V167 F245 M246 I249 F261 C281 T282 F283	V165-I259 HydrophobicContact CB-CG1 4.48Å; V167-I259 HydrophobicContact CG1-CG2 4.05Å; F245-I259 HydrophobicContact CE1-CG2 4.08Å; M246-I259 HydrophobicContact CE-CB 4.34Å; M246-I259 HydrophobicContact CE-CD1 3.65Å; M246-I259 HydrophobicContact CE-CG2 4.27Å; M246-I259 HydrophobicContact SD-CD1 3.8Å; M246-I259 HydrophobicContact SD-CG2 3.93Å; I249-I259 HydrophobicContact CB-CD1 4.03Å; I249-I259 HydrophobicContact CG2-CD1 3.62Å; I249-I259 HydrophobicContact CG2-CG1 3.87Å; I259-F261 HydrophobicContact CG2-CE2 4.42Å; I259-C281 PolarHBondContact N-O 2.7Å; I259-T282 WeakPolarHBondContact O-CA 3.48Å; I259-T282 WeakPolarHBondContact O-CB 3.39Å; I259-T282 PolarHBondContact O-OG1 3.5Å; I259-F283 PolarHBondContact O-N 3.04Å
260	Q	98.8	Very high	95.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	124.4	173.7	178.7	-176.3	-36.5	0	0	110.3	V165 V167 K190 Y194 E262 F283 D285	V165-Q260 PolarHBondContact O-N 2.64Å; V167-Q260 WeakPolarHBondContact CG1-O 3.42Å; V167-Q260 PolarHBondContact N-O 3.03Å; K190-Q260 VanDerWaalsContact CE-NE2 3.27Å; Y194-Q260 VanDerWaalsContact CZ-OE1 3.23Å; Y194-Q260 PolarHBondContact OH-OE1 2.73Å; Q260-E262 PolarHBondContact NE2-OE2 2.94Å; Q260-F283 WeakPolarHBondContact CA-O 3.41Å; Q260-F283 HydrophobicContact CB-CE1 4.09Å; Q260-F283 HydrophobicContact CB-CZ 4.12Å; Q260-F283 HydrophobicContact CG-CD2 4.44Å; Q260-F283 HydrophobicContact CG-CE1 4.22Å; Q260-F283 HydrophobicContact CG-CE2 3.89Å; Q260-F283 HydrophobicContact CG-CZ 3.77Å; Q260-F283 VanDerWaalsContact OE1-CZ 3.31Å; Q260-D285 HydrophobicContact CG-CB 4.36Å
261	F	98.8	Very high	95.5	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.009	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	136.8	167.6	-69.1	-91.4	0	0	0	110.5	V167 I242 M246 I259 F264 L272 Y276 T282 F283 N284 D285	V167-F261 HydrophobicContact CG1-CD1 3.99Å; V167-F261 HydrophobicContact CG1-CE1 4.23Å; V167-F261 HydrophobicContact CG1-CG 4.36Å; I242-F261 HydrophobicContact CG2-CE1 4.36Å; I242-F261 HydrophobicContact CG2-CZ 4.49Å; M246-F261 HydrophobicContact CE-CE2 4.16Å; M246-F261 HydrophobicContact CE-CZ 4.21Å; M246-F261 HydrophobicContact SD-CE2 4.11Å; M246-F261 HydrophobicContact SD-CZ 3.62Å; I259-F261 HydrophobicContact CG2-CE2 4.42Å; F261-F264 HydrophobicContact CB-CD2 4.06Å; F261-F264 HydrophobicContact CB-CE2 4.03Å; F261-F264 HydrophobicContact CD1-CD2 4.02Å; F261-F264 HydrophobicContact CD1-CE1 4.31Å; F261-F264 AromaticContact CD1-CE2 3.47Å; F261-F264 HydrophobicContact CD1-CE2 3.47Å; F261-F264 VanDerWaalsContact CD1-CE2 3.47Å; F261-F264 AromaticContact CD1-CZ 3.64Å; F261-F264 HydrophobicContact CD1-CZ 3.64Å; F261-F264 HydrophobicContact CE1-CE2 4.42Å; F261-F264 HydrophobicContact CE1-CZ 4.16Å; F261-F264 HydrophobicContact CG-CE2 4.24Å; F261-L272 HydrophobicContact CD1-CD1 4.38Å; F261-L272 HydrophobicContact CE1-CB 4.39Å; F261-L272 HydrophobicContact CE1-CD1 4.06Å; F261-Y276 HydrophobicContact CE2-CD2 4.32Å; F261-Y276 AromaticContact CZ-CD2 3.92Å; F261-Y276 HydrophobicContact CZ-CD2 3.92Å; F261-Y276 HydrophobicContact CZ-CE2 4.33Å; F261-T282 WeakPolarHBondContact CD2-OG1 3.41Å; F261-T282 WeakPolarHBondContact CE2-OG1 3.39Å; F261-F283 PolarHBondContact N-O 2.94Å; F261-N284 HydrophobicContact CB-CB 4.12Å; F261-N284 WeakPolarHBondContact O-CA 3.31Å; F261-N284 PolarHBondContact O-ND2 3.08Å; F261-D285 PolarHBondContact O-N 3.02Å
262	E	97.9	Very high	95.5	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.019	15%	0.151	C	C	.	.			trans	-139.8	137.8	-178.4	-165.7	73.4	-175	0	0	111.5	Y119 V167 T168 I186 K190 Q260 F264 D285	Y119-E262 PolarHBondContact OH-OE1 3.29Å; V167-E262 PolarHBondContact O-N 2.94Å; T168-E262 WeakPolarHBondContact CA-O 3.33Å; T168-E262 WeakPolarHBondContact CB-O 3.46Å; T168-E262 PolarHBondContact OG1-O 3.11Å; I186-E262 HydrophobicContact CG2-CG 3.58Å; K190-E262 WeakPolarHBondContact CE-OE1 3.21Å; K190-E262 WeakPolarHBondContact CE-OE2 3.48Å; K190-E262 HydrophobicContact CG-CG 4.41Å; K190-E262 IonicContact NZ-OE1 3.96Å; K190-E262 PolarHBondContact NZ-OE1 2.88Å; K190-E262 IonicContact NZ-OE2 3.77Å; Q260-E262 PolarHBondContact NE2-OE2 2.94Å; E262-F264 VanDerWaalsContact O-CD2 3.23Å; E262-F264 WeakPolarHBondContact O-CD2 3.32Å; E262-F264 PolarHBondContact O-N 2.93Å; E262-F264 VanDerWaalsContact O-N 3.17Å; E262-D285 VanDerWaalsContact OE2-CB 3.26Å; E262-D285 WeakPolarHBondContact OE2-CB 3.14Å
263	D	95.8	Very high	95.4	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.021	14%	0.137	C	C	.	.	S	Bend	trans	56.5	33	169	-79	-20.9	0	0	0	114.7	R172 I173 L174 I186 D286	R172-D263 CarbonylContact C-O 3.12Å; R172-D263 PolarHBondContact N-O 3.14Å; R172-D263 WeakPolarHBondContact O-CB 3.27Å; I173-D263 WeakPolarHBondContact CA-OD2 3.14Å; I173-D263 HydrophobicContact CD1-CB 3.75Å; L174-D263 PolarHBondContact N-OD1 3.47Å; I186-D263 WeakPolarHBondContact CG2-OD2 3.08Å; D263-D286 PolarHBondContact N-OD2 3.36Å
264	F	97.4	Very high	95.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.163	C	C	.	.			trans	-78.7	155.7	168.4	-75.2	-101.1	0	0	0	110.3	V167 D169 R172 Y238 F261 E262 A269 L272 E321	V167-F264 HydrophobicContact CG1-CE2 4.49Å; V167-F264 WeakPolarHBondContact O-CE2 3.2Å; D169-F264 HydrophobicContact CB-CD1 4.17Å; D169-F264 HydrophobicContact CB-CE1 3.74Å; D169-F264 HydrophobicContact CB-CZ 4.26Å; D169-F264 VanDerWaalsContact CG-CD1 3.42Å; D169-F264 WeakPolarHBondContact OD2-CD1 3.36Å; R172-F264 WeakPolarHBondContact CB-O 3.19Å; Y238-F264 WeakPolarHBondContact OH-CD1 3.43Å; Y238-F264 WeakPolarHBondContact OH-CE1 3.25Å; F261-F264 HydrophobicContact CB-CD2 4.06Å; F261-F264 HydrophobicContact CB-CE2 4.03Å; F261-F264 HydrophobicContact CD1-CD2 4.02Å; F261-F264 HydrophobicContact CD1-CE1 4.31Å; F261-F264 AromaticContact CD1-CE2 3.47Å; F261-F264 HydrophobicContact CD1-CE2 3.47Å; F261-F264 VanDerWaalsContact CD1-CE2 3.47Å; F261-F264 AromaticContact CD1-CZ 3.64Å; F261-F264 HydrophobicContact CD1-CZ 3.64Å; F261-F264 HydrophobicContact CE1-CE2 4.42Å; F261-F264 HydrophobicContact CE1-CZ 4.16Å; F261-F264 HydrophobicContact CG-CE2 4.24Å; E262-F264 VanDerWaalsContact O-CD2 3.23Å; E262-F264 WeakPolarHBondContact O-CD2 3.32Å; E262-F264 PolarHBondContact O-N 2.93Å; E262-F264 VanDerWaalsContact O-N 3.17Å; F264-A269 HydrophobicContact CB-CB 4.07Å; F264-L272 HydrophobicContact CD1-CD1 3.93Å; F264-L272 HydrophobicContact CE1-CD1 3.98Å; F264-E321 VanDerWaalsContact O-OE1 3.11Å
265	A	93.3	Very high	95.3	Very high	20 Å²	20	32.7 Å²	32.7	17%	0.165	17%	0.171	C	C	.	.			trans	-67.7	142.8	171.4	0	0	0	0	0	112.2	E171 I267 N268 A269	E171-A265 HydrophobicContact CB-CB 4.31Å; E171-A265 HydrophobicContact CG-CB 3.84Å; A265-I267 VanDerWaalsContact C-N 3.28Å; A265-I267 PolarHBondContact O-N 3.32Å; A265-N268 CarbonylContact O-C 3.53Å; A265-N268 WeakPolarHBondContact O-CA 3.36Å; A265-N268 PolarHBondContact O-N 2.89Å; A265-A269 PolarHBondContact O-N 3.3Å
266	N	86.4	Confident	95.5	Very high	63 Å²	63	28 Å²	28	34%	0.337	15%	0.147	S	C	.	.	H	α-helix	trans	-33.3	-52.8	-179.2	-64.8	-4.1	0	0	0	115.6	R172 N268 F270 E321	R172-N266 PolarHBondContact NE-OD1 2.93Å; N266-N268 PolarHBondContact O-N 3.34Å; N266-F270 VanDerWaalsContact O-CD2 3.28Å; N266-F270 WeakPolarHBondContact O-CD2 3.34Å; N266-F270 PolarHBondContact O-N 3.22Å; N266-E321 WeakPolarHBondContact CA-OE1 3.38Å; N266-E321 HydrophobicContact CB-CG 4.33Å; N266-E321 PolarHBondContact N-OE1 3.07Å; N266-E321 VanDerWaalsContact OD1-CD 3.24Å; N266-E321 WeakPolarHBondContact OD1-CG 3.35Å; N266-E321 PolarHBondContact OD1-OE1 2.8Å
267	I	88.1	Confident	95.6	Very high	143 Å²	143	27.6 Å²	27.6	73%	0.733	14%	0.141	S	C	*	.	H	α-helix	trans	-64.2	-42.7	-176.7	-61.6	173.8	0	0	0	110.8	A265 R271	A265-I267 VanDerWaalsContact C-N 3.28Å; A265-I267 PolarHBondContact O-N 3.32Å; I267-R271 WeakPolarHBondContact O-CB 3.38Å; I267-R271 PolarHBondContact O-N 2.93Å
268	N	94.7	Very high	95.5	Very high	18 Å²	18	32.9 Å²	32.9	10%	0.096	17%	0.17	C	C	.	.	H	α-helix	trans	-74.3	-43.3	178.5	-78	-29.1	0	0	0	111.5	A265 N266 F270 R271 L272	A265-N268 CarbonylContact O-C 3.53Å; A265-N268 WeakPolarHBondContact O-CA 3.36Å; A265-N268 PolarHBondContact O-N 2.89Å; N266-N268 PolarHBondContact O-N 3.34Å; N268-F270 PolarHBondContact O-N 3.15Å; N268-R271 PolarHBondContact O-N 3.3Å; N268-R271 PolarHBondContact OD1-NH2 3.32Å; N268-L272 HydrophobicContact CB-CD1 4.28Å; N268-L272 VanDerWaalsContact O-CB 3.29Å; N268-L272 WeakPolarHBondContact O-CB 3.41Å; N268-L272 WeakPolarHBondContact O-CG 3.43Å; N268-L272 PolarHBondContact O-N 2.92Å
269	A	93.3	Very high	95.4	Very high	2 Å²	2	38.7 Å²	38.7	2%	0.017	20%	0.195	C	C	.	.	H	α-helix	trans	-54.6	-52.5	-178.7	0	0	0	0	0	112.3	F264 A265 L273 I287 E321	F264-A269 HydrophobicContact CB-CB 4.07Å; A265-A269 PolarHBondContact O-N 3.3Å; A269-L273 VanDerWaalsContact O-CB 3.22Å; A269-L273 WeakPolarHBondContact O-CB 3.27Å; A269-L273 PolarHBondContact O-N 3.21Å; A269-I287 HydrophobicContact CB-CD1 4.02Å; A269-E321 HydrophobicContact CB-CG 4.19Å; A269-E321 WeakPolarHBondContact CB-OE1 3.45Å
270	F	90.8	Very high	95.4	Very high	44 Å²	44	40.5 Å²	40.5	19%	0.193	20%	0.202	C	C	.	.	H	α-helix	trans	-63.9	-45.1	177.7	-78.1	-67.4	0	0	0	113	N266 N268 L273 S274 I287 E321 M324	N266-F270 VanDerWaalsContact O-CD2 3.28Å; N266-F270 WeakPolarHBondContact O-CD2 3.34Å; N266-F270 PolarHBondContact O-N 3.22Å; N268-F270 PolarHBondContact O-N 3.15Å; F270-L273 PolarHBondContact O-N 3.38Å; F270-S274 VanDerWaalsContact O-CB 3.27Å; F270-S274 WeakPolarHBondContact O-CB 3.44Å; F270-S274 PolarHBondContact O-N 3.2Å; F270-I287 HydrophobicContact CD1-CD1 3.73Å; F270-I287 HydrophobicContact CE1-CD1 3.88Å; F270-I287 HydrophobicContact CE1-CG1 4.2Å; F270-I287 HydrophobicContact CE1-CG2 4.12Å; F270-I287 HydrophobicContact CG-CD1 4.12Å; F270-I287 HydrophobicContact CZ-CD1 4.39Å; F270-I287 HydrophobicContact CZ-CG1 4.44Å; F270-E321 HydrophobicContact CD2-CG 4.32Å; F270-E321 HydrophobicContact CE2-CB 4.31Å; F270-E321 HydrophobicContact CE2-CG 3.83Å; F270-E321 VanDerWaalsContact CZ-CA 3.43Å; F270-E321 HydrophobicContact CZ-CB 4.38Å; F270-E321 HydrophobicContact CZ-CG 4.33Å; F270-M324 HydrophobicContact CE1-CB 3.99Å; F270-M324 HydrophobicContact CZ-CB 3.66Å; F270-M324 HydrophobicContact CZ-CG 3.87Å
271	R	94.9	Very high	95.3	Very high	77 Å²	77	40.5 Å²	40.5	29%	0.291	20%	0.202	S	C	.	.	H	α-helix	trans	-64.4	-45.7	-177.1	-177.6	-176.9	65	86.3	-0.9	111.6	D239 I267 N268 K275	D239-R271 IonicContact OD1-CZ 2.69Å; D239-R271 IonicContact OD1-NH1 3.23Å; D239-R271 PolarHBondContact OD1-NH1 2.74Å; D239-R271 IonicContact OD1-NH2 2.67Å; D239-R271 PolarHBondContact OD1-NH2 3.07Å; D239-R271 IonicContact OD2-CZ 3.06Å; D239-R271 IonicContact OD2-NH1 3.6Å; D239-R271 PolarHBondContact OD2-NH1 2.9Å; D239-R271 VanDerWaalsContact OD2-NH1 3.14Å; I267-R271 WeakPolarHBondContact O-CB 3.38Å; I267-R271 PolarHBondContact O-N 2.93Å; N268-R271 PolarHBondContact O-N 3.3Å; N268-R271 PolarHBondContact OD1-NH2 3.32Å; R271-K275 VanDerWaalsContact O-CB 3.24Å; R271-K275 WeakPolarHBondContact O-CB 3.5Å; R271-K275 PolarHBondContact O-N 3.03Å
272	L	97.6	Very high	95.3	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-67.9	-43.9	178.8	-61.7	177.1	0	0	0	110.4	Y238 I242 F261 F264 N268 S274 K275 Y276	Y238-L272 HydrophobicContact CE1-CD1 4.36Å; I242-L272 HydrophobicContact CB-CD2 4.41Å; I242-L272 HydrophobicContact CG1-CD2 4.31Å; I242-L272 HydrophobicContact CG2-CD2 4.13Å; F261-L272 HydrophobicContact CD1-CD1 4.38Å; F261-L272 HydrophobicContact CE1-CB 4.39Å; F261-L272 HydrophobicContact CE1-CD1 4.06Å; F264-L272 HydrophobicContact CD1-CD1 3.93Å; F264-L272 HydrophobicContact CE1-CD1 3.98Å; N268-L272 HydrophobicContact CB-CD1 4.28Å; N268-L272 VanDerWaalsContact O-CB 3.29Å; N268-L272 WeakPolarHBondContact O-CB 3.41Å; N268-L272 WeakPolarHBondContact O-CG 3.43Å; N268-L272 PolarHBondContact O-N 2.92Å; L272-S274 PolarHBondContact O-N 2.83Å; L272-K275 PolarHBondContact O-N 3.25Å; L272-Y276 HydrophobicContact CB-CD2 4.19Å; L272-Y276 HydrophobicContact CB-CE2 4.17Å; L272-Y276 HydrophobicContact CD2-CE2 3.8Å; L272-Y276 WeakPolarHBondContact O-CD2 3.45Å; L272-Y276 PolarHBondContact O-N 2.93Å
273	L	96.6	Very high	95.3	Very high	9 Å²	9	40.2 Å²	40.2	5%	0.047	20%	0.201	C	C	.	.	H	α-helix	trans	-56.2	-52.3	174.4	177.2	59.8	0	0	0	110.8	A269 F270 K275 Y276 R277 N284 I287 Q288	A269-L273 VanDerWaalsContact O-CB 3.22Å; A269-L273 WeakPolarHBondContact O-CB 3.27Å; A269-L273 PolarHBondContact O-N 3.21Å; F270-L273 PolarHBondContact O-N 3.38Å; L273-K275 VanDerWaalsContact C-N 3.32Å; L273-K275 PolarHBondContact O-N 3.4Å; L273-Y276 PolarHBondContact O-N 3.08Å; L273-R277 HydrophobicContact CD1-CB 4.12Å; L273-R277 WeakPolarHBondContact O-CB 3.44Å; L273-R277 WeakPolarHBondContact O-CD 3.42Å; L273-R277 WeakPolarHBondContact O-CG 3.08Å; L273-R277 PolarHBondContact O-N 3.15Å; L273-N284 HydrophobicContact CD2-CB 4.39Å; L273-I287 HydrophobicContact CD2-CB 4.35Å; L273-I287 HydrophobicContact CD2-CD1 3.92Å; L273-I287 HydrophobicContact CD2-CG2 4.11Å; L273-Q288 HydrophobicContact CD2-CG 4.11Å
274	S	95.1	Very high	95.5	Very high	86 Å²	86	40 Å²	40	60%	0.601	20%	0.2	S	C	*	.	H	α-helix	trans	-58.7	-40.9	178.2	-174.2	0	0	0	0	112.7	F270 L272	F270-S274 VanDerWaalsContact O-CB 3.27Å; F270-S274 WeakPolarHBondContact O-CB 3.44Å; F270-S274 PolarHBondContact O-N 3.2Å; L272-S274 PolarHBondContact O-N 2.83Å
275	K	97.7	Very high	95.5	Very high	55 Å²	55	40.1 Å²	40.1	24%	0.239	20%	0.2	C	C	.	.	H	α-helix	trans	-67.1	-36.7	-179.4	-175.4	177.8	177.7	-172.7	0	113.3	D243 R271 L272 L273	D243-K275 WeakPolarHBondContact OD1-CE 3.39Å; D243-K275 IonicContact OD1-NZ 3.14Å; D243-K275 PolarHBondContact OD1-NZ 3.49Å; D243-K275 IonicContact OD2-NZ 3.57Å; D243-K275 PolarHBondContact OD2-NZ 2.86Å; R271-K275 VanDerWaalsContact O-CB 3.24Å; R271-K275 WeakPolarHBondContact O-CB 3.5Å; R271-K275 PolarHBondContact O-N 3.03Å; L272-K275 PolarHBondContact O-N 3.25Å; L273-K275 VanDerWaalsContact C-N 3.32Å; L273-K275 PolarHBondContact O-N 3.4Å
276	Y	98.4	Very high	95.5	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.008	20%	0.195	C	C	.	.	H	α-helix	trans	-110.6	-23.3	-167.4	-61.1	-54.7	0	0	0	116	I242 D243 M246 F261 L272 L273 N278 K279 Y280	I242-Y276 HydrophobicContact CG2-CE2 3.57Å; D243-Y276 PolarHBondContact N-OH 2.86Å; D243-Y276 WeakPolarHBondContact OD1-CE1 3.26Å; D243-Y276 VanDerWaalsContact OD1-CZ 3.28Å; D243-Y276 PolarHBondContact OD1-OH 3.19Å; M246-Y276 HydrophobicContact CB-CE1 4.43Å; M246-Y276 HydrophobicContact CE-CD1 4.45Å; M246-Y276 HydrophobicContact CE-CD2 4.32Å; M246-Y276 HydrophobicContact CE-CG 4.01Å; M246-Y276 HydrophobicContact CG-CD1 4.11Å; M246-Y276 HydrophobicContact CG-CD2 4.16Å; M246-Y276 HydrophobicContact CG-CE1 3.96Å; M246-Y276 HydrophobicContact CG-CE2 4.03Å; M246-Y276 HydrophobicContact CG-CG 4.22Å; F261-Y276 HydrophobicContact CE2-CD2 4.32Å; F261-Y276 AromaticContact CZ-CD2 3.92Å; F261-Y276 HydrophobicContact CZ-CD2 3.92Å; F261-Y276 HydrophobicContact CZ-CE2 4.33Å; L272-Y276 HydrophobicContact CB-CD2 4.19Å; L272-Y276 HydrophobicContact CB-CE2 4.17Å; L272-Y276 HydrophobicContact CD2-CE2 3.8Å; L272-Y276 WeakPolarHBondContact O-CD2 3.45Å; L272-Y276 PolarHBondContact O-N 2.93Å; L273-Y276 PolarHBondContact O-N 3.08Å; Y276-N278 PolarHBondContact O-N 2.89Å; Y276-K279 PolarHBondContact O-N 3.38Å; Y276-Y280 AromaticContact CD1-CD2 3.86Å; Y276-Y280 HydrophobicContact CD1-CD2 3.86Å; Y276-Y280 AromaticContact CD1-CE2 3.87Å; Y276-Y280 HydrophobicContact CD1-CE2 3.87Å; Y276-Y280 HydrophobicContact CE1-CE2 4.44Å; Y276-Y280 HydrophobicContact CG-CD2 4.33Å; Y276-Y280 PolarHBondContact O-N 3.38Å
277	R	96.5	Very high	95.9	Very high	48 Å²	48	37 Å²	37	18%	0.181	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-32.2	-176	58.5	-176.4	-65.3	159.9	10.4	116.1	L273 H489 E492	L273-R277 HydrophobicContact CD1-CB 4.12Å; L273-R277 WeakPolarHBondContact O-CB 3.44Å; L273-R277 WeakPolarHBondContact O-CD 3.42Å; L273-R277 WeakPolarHBondContact O-CG 3.08Å; L273-R277 PolarHBondContact O-N 3.15Å; R277-H489 PolarHBondContact O-ND1 3.23Å; R277-E492 IonicContact CZ-OE1 2.81Å; R277-E492 IonicContact CZ-OE2 3.81Å; R277-E492 IonicContact NH1-OE1 3.94Å; R277-E492 PolarHBondContact NH1-OE1 2.84Å; R277-E492 IonicContact NH1-OE2 2.7Å; R277-E492 IonicContact NH2-OE1 3.12Å; R277-E492 PolarHBondContact NH2-OE1 2.88Å; R277-E492 IonicContact NH2-OE2 3.91Å; R277-E492 PolarHBondContact NH2-OE2 3.02Å
278	N	95.8	Very high	96.4	Very high	113 Å²	113	30.5 Å²	30.5	60%	0.604	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.2	6	-179.1	-62.4	-33.7	0	0	0	113	Y276 H489	Y276-N278 PolarHBondContact O-N 2.89Å; N278-H489 VanDerWaalsContact C-CE1 3.47Å; N278-H489 PolarHBondContact O-CE1 2.92Å; N278-H489 VanDerWaalsContact O-CE1 3.3Å
279	K	96.8	Very high	96.5	Very high	121 Å²	121	29.6 Å²	29.6	53%	0.526	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.5	-35.3	-178.2	-63.1	-179.9	-175.5	170	0	112.2	M255 Y276	M255-K279 WeakPolarHBondContact CE-O 3.39Å; Y276-K279 PolarHBondContact O-N 3.38Å
280	Y	98	Very high	96.6	Very high	38 Å²	38	30.5 Å²	30.5	15%	0.149	15%	0.148	C	C	.	.	S	Bend	trans	-126.2	162.3	-176.2	-63.6	-80.2	0	0	0	110.7	M246 S250 M255 Y276 T282 R488	M246-Y280 HydrophobicContact CB-CD2 4.2Å; M246-Y280 HydrophobicContact CB-CE1 4.26Å; M246-Y280 HydrophobicContact CB-CE2 3.77Å; M246-Y280 HydrophobicContact CE-CD1 4.42Å; M246-Y280 HydrophobicContact CE-CD2 3.69Å; M246-Y280 HydrophobicContact CE-CE2 4.42Å; M246-Y280 HydrophobicContact CE-CG 3.68Å; M246-Y280 WeakPolarHBondContact O-CE1 3.43Å; S250-Y280 WeakPolarHBondContact OG-CD1 3.17Å; S250-Y280 VanDerWaalsContact OG-CE1 3.31Å; S250-Y280 WeakPolarHBondContact OG-CE1 3.46Å; M255-Y280 HydrophobicContact CE-CD1 3.77Å; M255-Y280 HydrophobicContact CE-CE1 4.07Å; M255-Y280 HydrophobicContact SD-CD1 4.49Å; M255-Y280 HydrophobicContact SD-CE1 4.42Å; Y276-Y280 AromaticContact CD1-CD2 3.86Å; Y276-Y280 HydrophobicContact CD1-CD2 3.86Å; Y276-Y280 AromaticContact CD1-CE2 3.87Å; Y276-Y280 HydrophobicContact CD1-CE2 3.87Å; Y276-Y280 HydrophobicContact CE1-CE2 4.44Å; Y276-Y280 HydrophobicContact CG-CD2 4.33Å; Y276-Y280 PolarHBondContact O-N 3.38Å; Y280-T282 VanDerWaalsContact C-N 3.34Å; Y280-T282 PolarHBondContact O-N 2.55Å; Y280-T282 VanDerWaalsContact O-N 3.08Å; Y280-R488 CarbonylContact C-O 3.47Å
281	C	97.9	Very high	96.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	-77.9	87.2	168.8	-172	0	0	0	0	109	L258 I259 V482 L487 R488	L258-C281 CarbonylContact C-O 3.59Å; L258-C281 WeakPolarHBondContact CA-O 3.38Å; I259-C281 PolarHBondContact N-O 2.7Å; C281-V482 WeakPolarHBondContact SG-CG1 3.4Å; C281-L487 PolarHBondContact SG-O 2.99Å; C281-R488 WeakPolarHBondContact CA-O 3.43Å; C281-R488 PolarHBondContact N-O 3.38Å
282	T	98.6	Very high	97.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	150.4	-171.2	-174.7	0	0	0	0	112.5	M246 I259 F261 Y280	M246-T282 HydrophobicContact CE-CG2 4.34Å; I259-T282 WeakPolarHBondContact O-CA 3.48Å; I259-T282 WeakPolarHBondContact O-CB 3.39Å; I259-T282 PolarHBondContact O-OG1 3.5Å; F261-T282 WeakPolarHBondContact CD2-OG1 3.41Å; F261-T282 WeakPolarHBondContact CE2-OG1 3.39Å; Y280-T282 VanDerWaalsContact C-N 3.34Å; Y280-T282 PolarHBondContact O-N 2.55Å; Y280-T282 VanDerWaalsContact O-N 3.08Å
283	F	98.6	Very high	97.1	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	167.3	169.7	75.2	-86.9	0	0	0	109.9	Y194 L258 I259 Q260 F261 D285 Q288 F475 I490 F495	Y194-F283 WeakPolarHBondContact OH-CZ 3.45Å; L258-F283 HydrophobicContact CD1-CD1 3.55Å; L258-F283 HydrophobicContact CD1-CE1 3.56Å; L258-F283 HydrophobicContact CD2-CE1 4.1Å; L258-F283 HydrophobicContact CG-CE1 4.34Å; I259-F283 PolarHBondContact O-N 3.04Å; Q260-F283 WeakPolarHBondContact CA-O 3.41Å; Q260-F283 HydrophobicContact CB-CE1 4.09Å; Q260-F283 HydrophobicContact CB-CZ 4.12Å; Q260-F283 HydrophobicContact CG-CD2 4.44Å; Q260-F283 HydrophobicContact CG-CE1 4.22Å; Q260-F283 HydrophobicContact CG-CE2 3.89Å; Q260-F283 HydrophobicContact CG-CZ 3.77Å; Q260-F283 VanDerWaalsContact OE1-CZ 3.31Å; F261-F283 PolarHBondContact N-O 2.94Å; F283-D285 HydrophobicContact CE2-CB 3.94Å; F283-Q288 VanDerWaalsContact CA-OE1 3.26Å; F283-Q288 VanDerWaalsContact CB-OE1 3.23Å; F283-F475 HydrophobicContact CE2-CB 4.42Å; F283-F475 HydrophobicContact CZ-CB 4.13Å; F283-I490 HydrophobicContact CB-CD1 4.25Å; F283-I490 HydrophobicContact CD1-CD1 3.62Å; F283-I490 HydrophobicContact CE1-CD1 4.45Å; F283-I490 HydrophobicContact CG-CD1 4.37Å; F283-F495 HydrophobicContact CB-CE2 4.02Å; F283-F495 HydrophobicContact CB-CZ 3.68Å; F283-F495 HydrophobicContact CD1-CZ 4.44Å; F283-F495 HydrophobicContact CD2-CE1 4.14Å; F283-F495 AromaticContact CD2-CZ 3.6Å; F283-F495 HydrophobicContact CD2-CZ 3.6Å; F283-F495 HydrophobicContact CE2-CE1 4.47Å; F283-F495 HydrophobicContact CE2-CZ 4.31Å; F283-F495 HydrophobicContact CG-CE2 4.5Å; F283-F495 AromaticContact CG-CZ 3.68Å; F283-F495 HydrophobicContact CG-CZ 3.68Å
284	N	98.3	Very high	97.2	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	125.4	169.8	175.8	-70.7	0	0	0	108.8	F261 L273 D286 I287 Q288	F261-N284 HydrophobicContact CB-CB 4.12Å; F261-N284 WeakPolarHBondContact O-CA 3.31Å; F261-N284 PolarHBondContact O-ND2 3.08Å; L273-N284 HydrophobicContact CD2-CB 4.39Å; N284-D286 WeakPolarHBondContact OD1-CA 3.31Å; N284-D286 WeakPolarHBondContact OD1-CB 3.44Å; N284-D286 PolarHBondContact OD1-N 3.48Å; N284-I287 HydrophobicContact CB-CB 4.45Å; N284-I287 HydrophobicContact CB-CD1 4.24Å; N284-I287 WeakPolarHBondContact OD1-CG1 3.49Å; N284-I287 PolarHBondContact OD1-N 3.1Å; N284-Q288 VanDerWaalsContact N-OE1 3.11Å; N284-Q288 WeakPolarHBondContact O-CB 3.22Å; N284-Q288 PolarHBondContact O-N 2.82Å
285	D	97.1	Very high	97.4	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.005	10%	0.096	C	C	.	.	I	π-helix	trans	-74.3	-35.6	-174.1	-169.5	70.4	0	0	0	113.1	K190 Q260 F261 E262 F283 I287 G289 T290 N471 F475	K190-D285 IonicContact NZ-OD1 3.04Å; K190-D285 IonicContact NZ-OD2 2.91Å; K190-D285 PolarHBondContact NZ-OD2 3.49Å; Q260-D285 HydrophobicContact CG-CB 4.36Å; F261-D285 PolarHBondContact O-N 3.02Å; E262-D285 VanDerWaalsContact OE2-CB 3.26Å; E262-D285 WeakPolarHBondContact OE2-CB 3.14Å; F283-D285 HydrophobicContact CE2-CB 3.94Å; D285-I287 PolarHBondContact O-N 3.16Å; D285-G289 CarbonylContact O-C 3.24Å; D285-G289 WeakPolarHBondContact O-CA 3.44Å; D285-G289 PolarHBondContact O-N 2.95Å; D285-G289 WeakPolarHBondContact OD1-CA 3.23Å; D285-T290 PolarHBondContact O-N 3.29Å; D285-N471 PolarHBondContact O-ND2 3.27Å; D285-N471 VanDerWaalsContact OD2-CB 3.23Å; D285-N471 WeakPolarHBondContact OD2-CB 3.43Å; D285-N471 PolarHBondContact OD2-ND2 2.9Å; D285-F475 WeakPolarHBondContact OD1-CB 2.84Å
286	D	93.8	Very high	97.4	Very high	9 Å²	9	17.9 Å²	17.9	5%	0.048	9%	0.085	C	C	.	.	I	π-helix	trans	-62.2	-27.4	177	-57.9	-63.3	0	0	0	112.9	D263 N284 T290	D263-D286 PolarHBondContact N-OD2 3.36Å; N284-D286 WeakPolarHBondContact OD1-CA 3.31Å; N284-D286 WeakPolarHBondContact OD1-CB 3.44Å; N284-D286 PolarHBondContact OD1-N 3.48Å; D286-T290 WeakPolarHBondContact O-CB 3.38Å; D286-T290 PolarHBondContact O-OG1 3.49Å
287	I	95.3	Very high	97.4	Very high	8 Å²	8	17.8 Å²	17.8	4%	0.041	8%	0.084	C	C	.	.	I	π-helix	trans	-93.8	-62.7	175.7	-60.5	168.1	0	0	0	110.1	A269 F270 L273 N284 D285 A291 E321	A269-I287 HydrophobicContact CB-CD1 4.02Å; F270-I287 HydrophobicContact CD1-CD1 3.73Å; F270-I287 HydrophobicContact CE1-CD1 3.88Å; F270-I287 HydrophobicContact CE1-CG1 4.2Å; F270-I287 HydrophobicContact CE1-CG2 4.12Å; F270-I287 HydrophobicContact CG-CD1 4.12Å; F270-I287 HydrophobicContact CZ-CD1 4.39Å; F270-I287 HydrophobicContact CZ-CG1 4.44Å; L273-I287 HydrophobicContact CD2-CB 4.35Å; L273-I287 HydrophobicContact CD2-CD1 3.92Å; L273-I287 HydrophobicContact CD2-CG2 4.11Å; N284-I287 HydrophobicContact CB-CB 4.45Å; N284-I287 HydrophobicContact CB-CD1 4.24Å; N284-I287 WeakPolarHBondContact OD1-CG1 3.49Å; N284-I287 PolarHBondContact OD1-N 3.1Å; D285-I287 PolarHBondContact O-N 3.16Å; I287-A291 VanDerWaalsContact O-CB 3.26Å; I287-A291 WeakPolarHBondContact O-CB 3.28Å; I287-A291 PolarHBondContact O-N 3.42Å; I287-E321 HydrophobicContact CD1-CG 4.36Å; I287-E321 HydrophobicContact CG1-CB 3.76Å; I287-E321 HydrophobicContact CG1-CG 3.96Å
288	Q	97.9	Very high	97.6	Very high	7 Å²	7	15.6 Å²	15.6	3%	0.033	8%	0.076	C	C	.	.	I	π-helix	trans	-89.7	-35.6	-166.3	-60.6	173.4	-86.6	0	0	112.8	L273 F283 N284 A291 A292 F495	L273-Q288 HydrophobicContact CD2-CG 4.11Å; F283-Q288 VanDerWaalsContact CA-OE1 3.26Å; F283-Q288 VanDerWaalsContact CB-OE1 3.23Å; N284-Q288 VanDerWaalsContact N-OE1 3.11Å; N284-Q288 WeakPolarHBondContact O-CB 3.22Å; N284-Q288 PolarHBondContact O-N 2.82Å; Q288-A291 WeakPolarHBondContact O-CB 3.43Å; Q288-A291 PolarHBondContact O-N 2.86Å; Q288-A292 PolarHBondContact O-N 2.85Å; Q288-F495 HydrophobicContact CB-CD1 4.05Å; Q288-F495 HydrophobicContact CB-CD2 3.81Å; Q288-F495 HydrophobicContact CB-CE1 3.82Å; Q288-F495 HydrophobicContact CB-CE2 3.56Å; Q288-F495 HydrophobicContact CB-CG 4.05Å; Q288-F495 HydrophobicContact CB-CZ 3.58Å; Q288-F495 HydrophobicContact CG-CD2 4.37Å; Q288-F495 HydrophobicContact CG-CE2 4.11Å; Q288-F495 VanDerWaalsContact NE2-CE2 3.25Å; Q288-F495 WeakPolarHBondContact O-CD1 3.33Å
289	G	97.2	Very high	97.7	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.056	C	C	.	.	I	π-helix	trans	-66.8	-47	174.7	0	0	0	0	0	111.8	D285 A291 A292 V293	D285-G289 CarbonylContact O-C 3.24Å; D285-G289 WeakPolarHBondContact O-CA 3.44Å; D285-G289 PolarHBondContact O-N 2.95Å; D285-G289 WeakPolarHBondContact OD1-CA 3.23Å; G289-A291 VanDerWaalsContact C-N 3.31Å; G289-A291 PolarHBondContact O-N 2.76Å; G289-A292 PolarHBondContact O-N 3.38Å; G289-V293 PolarHBondContact O-N 3.27Å
290	T	95.7	Very high	97.8	Very high	21 Å²	21	6 Å²	6	13%	0.129	3%	0.031	C	C	.	.	H	α-helix	trans	-62	-38.4	173.8	-63.4	0	0	0	0	111.9	D285 D286 V293 A294 A322 I326 N471	D285-T290 PolarHBondContact O-N 3.29Å; D286-T290 WeakPolarHBondContact O-CB 3.38Å; D286-T290 PolarHBondContact O-OG1 3.49Å; T290-V293 WeakPolarHBondContact O-CG1 3.31Å; T290-A294 WeakPolarHBondContact O-CB 3.34Å; T290-A294 PolarHBondContact O-N 3.25Å; T290-A294 VanDerWaalsContact O-N 3.08Å; T290-A322 HydrophobicContact CG2-CB 3.7Å; T290-I326 HydrophobicContact CG2-CD1 4.09Å; T290-I326 HydrophobicContact CG2-CG1 4.34Å; T290-N471 PolarHBondContact N-ND2 3.41Å; T290-N471 PolarHBondContact OG1-ND2 2.95Å; T290-N471 PolarHBondContact OG1-OD1 3.2Å
291	A	97.9	Very high	97.8	Very high	3 Å²	3	4.2 Å²	4.2	3%	0.025	2%	0.024	C	C	.	.	H	α-helix	trans	-57.6	-52	172.6	0	0	0	0	0	112	I287 Q288 G289 V293 A294 V295 G325 L329	I287-A291 VanDerWaalsContact O-CB 3.26Å; I287-A291 WeakPolarHBondContact O-CB 3.28Å; I287-A291 PolarHBondContact O-N 3.42Å; Q288-A291 WeakPolarHBondContact O-CB 3.43Å; Q288-A291 PolarHBondContact O-N 2.86Å; G289-A291 VanDerWaalsContact C-N 3.31Å; G289-A291 PolarHBondContact O-N 2.76Å; A291-V293 PolarHBondContact O-N 3.45Å; A291-A294 PolarHBondContact O-N 3.47Å; A291-V295 WeakPolarHBondContact O-CB 3.3Å; A291-V295 WeakPolarHBondContact O-CG2 3.4Å; A291-V295 PolarHBondContact O-N 2.9Å; A291-G325 VanDerWaalsContact CB-O 3.26Å; A291-G325 WeakPolarHBondContact CB-O 3.33Å; A291-L329 HydrophobicContact CB-CB 4.07Å; A291-L329 HydrophobicContact CB-CD2 3.9Å
292	A	98.5	Very high	97.8	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-63	-44.2	-176.5	0	0	0	0	0	112.5	Q288 G289 V295 A296 L329 I474 F495 A499	Q288-A292 PolarHBondContact O-N 2.85Å; G289-A292 PolarHBondContact O-N 3.38Å; A292-V295 PolarHBondContact O-N 3.42Å; A292-A296 WeakPolarHBondContact O-CB 3.34Å; A292-A296 PolarHBondContact O-N 3.02Å; A292-L329 HydrophobicContact CB-CD2 4.23Å; A292-I474 HydrophobicContact CB-CB 4.47Å; A292-I474 HydrophobicContact CB-CD1 3.8Å; A292-I474 HydrophobicContact CB-CG1 3.86Å; A292-I474 HydrophobicContact CB-CG2 3.83Å; A292-F495 HydrophobicContact CB-CB 4.11Å; A292-F495 HydrophobicContact CB-CD1 3.97Å; A292-A499 HydrophobicContact CB-CB 4.43Å; A292-A499 WeakPolarHBondContact O-CB 3.47Å
293	V	98.1	Very high	97.8	Very high	2 Å²	2	9.2 Å²	9.2	1%	0.012	4%	0.043	C	C	.	.	H	α-helix	trans	-67.6	-41.4	179.3	71	0	0	0	0	111.4	G289 T290 A291 V295 A296 G297 I474 L502 Y517	G289-V293 PolarHBondContact O-N 3.27Å; T290-V293 WeakPolarHBondContact O-CG1 3.31Å; A291-V293 PolarHBondContact O-N 3.45Å; V293-V295 PolarHBondContact O-N 3.36Å; V293-A296 WeakPolarHBondContact O-CB 3.43Å; V293-A296 PolarHBondContact O-N 2.65Å; V293-G297 PolarHBondContact O-N 3.29Å; V293-I474 HydrophobicContact CB-CG1 3.86Å; V293-L502 HydrophobicContact CG2-CD2 4.31Å; V293-Y517 HydrophobicContact CG2-CD1 4.25Å; V293-Y517 HydrophobicContact CG2-CE1 3.59Å; V293-Y517 VanDerWaalsContact O-CE1 3.31Å; V293-Y517 WeakPolarHBondContact O-CE1 3.39Å; V293-Y517 PolarHBondContact O-OH 3.32Å; V293-Y517 VanDerWaalsContact O-OH 3.1Å
294	A	98.4	Very high	97.8	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-64.5	-43.2	177.5	0	0	0	0	0	111.8	T290 A291 A296 G297 L298 I326 L423	T290-A294 WeakPolarHBondContact O-CB 3.34Å; T290-A294 PolarHBondContact O-N 3.25Å; T290-A294 VanDerWaalsContact O-N 3.08Å; A291-A294 PolarHBondContact O-N 3.47Å; A294-A296 VanDerWaalsContact C-N 3.34Å; A294-A296 PolarHBondContact O-N 3.42Å; A294-G297 PolarHBondContact O-N 2.84Å; A294-L298 WeakPolarHBondContact O-CG 3.45Å; A294-L298 PolarHBondContact O-N 3.22Å; A294-I326 HydrophobicContact CB-CB 4.46Å; A294-I326 HydrophobicContact CB-CD1 3.81Å; A294-I326 HydrophobicContact CB-CG1 3.72Å; A294-I326 HydrophobicContact CB-CG2 3.82Å; A294-L423 HydrophobicContact CB-CD1 4.03Å
295	V	98.8	Very high	97.7	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-64.4	-38.5	175.6	171.6	0	0	0	0	111.2	A291 A292 V293 G297 L298 L299 L329 I330 L496 A499	A291-V295 WeakPolarHBondContact O-CB 3.3Å; A291-V295 WeakPolarHBondContact O-CG2 3.4Å; A291-V295 PolarHBondContact O-N 2.9Å; A292-V295 PolarHBondContact O-N 3.42Å; V293-V295 PolarHBondContact O-N 3.36Å; V295-G297 VanDerWaalsContact C-N 3.33Å; V295-G297 PolarHBondContact O-N 3Å; V295-L298 WeakPolarHBondContact O-CB 3.35Å; V295-L298 PolarHBondContact O-N 2.94Å; V295-L298 VanDerWaalsContact O-N 3.16Å; V295-L299 HydrophobicContact CG1-CD1 4.05Å; V295-L299 HydrophobicContact CG1-CG 4.14Å; V295-L299 VanDerWaalsContact O-CG 3.28Å; V295-L299 WeakPolarHBondContact O-CG 3.46Å; V295-L299 PolarHBondContact O-N 3.36Å; V295-L329 HydrophobicContact CB-CD2 3.96Å; V295-L329 HydrophobicContact CB-CG 4.37Å; V295-L329 HydrophobicContact CG1-CD2 4.47Å; V295-L329 HydrophobicContact CG2-CB 3.83Å; V295-L329 HydrophobicContact CG2-CD2 3.82Å; V295-L329 HydrophobicContact CG2-CG 3.9Å; V295-I330 HydrophobicContact CG2-CG1 3.81Å; V295-L496 HydrophobicContact CG1-CD1 4.2Å; V295-A499 HydrophobicContact CB-CB 4.12Å; V295-A499 HydrophobicContact CG1-CB 3.97Å
296	A	98.8	Very high	97.8	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.008	10%	0.101	C	C	.	.	H	α-helix	trans	-59.1	-44.8	174	0	0	0	0	0	111.9	A292 V293 A294 L298 L299 A300 A499 L502 Y517	A292-A296 WeakPolarHBondContact O-CB 3.34Å; A292-A296 PolarHBondContact O-N 3.02Å; V293-A296 WeakPolarHBondContact O-CB 3.43Å; V293-A296 PolarHBondContact O-N 2.65Å; A294-A296 VanDerWaalsContact C-N 3.34Å; A294-A296 PolarHBondContact O-N 3.42Å; A296-L298 VanDerWaalsContact C-N 3.32Å; A296-L298 PolarHBondContact O-N 3.23Å; A296-L299 PolarHBondContact O-N 2.85Å; A296-A300 PolarHBondContact O-N 2.92Å; A296-A499 HydrophobicContact CB-CB 4.16Å; A296-A499 VanDerWaalsContact CB-O 3.28Å; A296-A499 WeakPolarHBondContact CB-O 3.34Å; A296-L502 HydrophobicContact CB-CB 3.91Å; A296-L502 HydrophobicContact CB-CD2 3.57Å; A296-L502 HydrophobicContact CB-CG 3.82Å; A296-Y517 HydrophobicContact CB-CE1 4.45Å
297	G	98.5	Very high	97.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-62.1	-38.9	175.1	0	0	0	0	0	112.6	V293 A294 V295 A300 A301	V293-G297 PolarHBondContact O-N 3.29Å; A294-G297 PolarHBondContact O-N 2.84Å; V295-G297 VanDerWaalsContact C-N 3.33Å; V295-G297 PolarHBondContact O-N 3Å; G297-A300 PolarHBondContact O-N 3.44Å; G297-A301 WeakPolarHBondContact O-CB 3.35Å; G297-A301 PolarHBondContact O-N 3.06Å
298	L	98.7	Very high	98	Very high	3 Å²	3	27.8 Å²	27.8	2%	0.016	13%	0.131	C	C	.	.	H	α-helix	trans	-65	-46.7	174	-70.3	172.7	0	0	0	111.3	A294 V295 A296 A300 A301 L302 M309 I330 I394 I419 F421	A294-L298 WeakPolarHBondContact O-CG 3.45Å; A294-L298 PolarHBondContact O-N 3.22Å; V295-L298 WeakPolarHBondContact O-CB 3.35Å; V295-L298 PolarHBondContact O-N 2.94Å; V295-L298 VanDerWaalsContact O-N 3.16Å; A296-L298 VanDerWaalsContact C-N 3.32Å; A296-L298 PolarHBondContact O-N 3.23Å; L298-A300 VanDerWaalsContact C-N 3.28Å; L298-A300 PolarHBondContact O-N 2.71Å; L298-A301 CarbonylContact O-C 3.59Å; L298-A301 WeakPolarHBondContact O-CA 3.31Å; L298-A301 WeakPolarHBondContact O-CB 3.34Å; L298-A301 PolarHBondContact O-N 3.21Å; L298-L302 WeakPolarHBondContact O-CG 3.35Å; L298-L302 PolarHBondContact O-N 2.7Å; L298-M309 HydrophobicContact CB-CE 3.7Å; L298-M309 HydrophobicContact CD1-CE 4.2Å; L298-M309 HydrophobicContact CD1-SD 4.38Å; L298-I330 HydrophobicContact CD1-CD1 3.54Å; L298-I330 HydrophobicContact CD1-CG1 3.8Å; L298-I394 HydrophobicContact CD1-CD1 4.17Å; L298-I419 HydrophobicContact CD2-CD1 4.44Å; L298-I419 HydrophobicContact CD2-CG2 3.9Å; L298-F421 HydrophobicContact CD2-CD2 4.44Å; L298-F421 HydrophobicContact CD2-CE2 3.81Å; L298-F421 HydrophobicContact CD2-CZ 3.98Å; L298-F421 HydrophobicContact CG-CE2 3.8Å; L298-F421 HydrophobicContact CG-CZ 4.26Å
299	L	98.7	Very high	98	Very high	33 Å²	33	27.5 Å²	27.5	17%	0.173	13%	0.13	C	C	.	.	H	α-helix	trans	-59.3	-39	176.9	-68.5	174.3	0	0	0	111.7	V295 A296 L302 M309 A499 E500 A503	V295-L299 HydrophobicContact CG1-CD1 4.05Å; V295-L299 HydrophobicContact CG1-CG 4.14Å; V295-L299 VanDerWaalsContact O-CG 3.28Å; V295-L299 WeakPolarHBondContact O-CG 3.46Å; V295-L299 PolarHBondContact O-N 3.36Å; A296-L299 PolarHBondContact O-N 2.85Å; L299-L302 HydrophobicContact CD2-CD1 4.18Å; L299-L302 PolarHBondContact O-N 2.82Å; L299-M309 HydrophobicContact CD2-CE 4.17Å; L299-A499 HydrophobicContact CD1-CB 4.49Å; L299-E500 HydrophobicContact CD1-CB 4.5Å; L299-E500 HydrophobicContact CD1-CG 3.8Å; L299-A503 HydrophobicContact CB-CB 3.7Å; L299-A503 HydrophobicContact CD1-CB 4.37Å
300	A	98.6	Very high	98	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-65	-42.6	171.4	0	0	0	0	0	111.8	A296 G297 L298 L302 R303 V506 L511 L516	A296-A300 PolarHBondContact O-N 2.92Å; G297-A300 PolarHBondContact O-N 3.44Å; L298-A300 VanDerWaalsContact C-N 3.28Å; L298-A300 PolarHBondContact O-N 2.71Å; A300-L302 VanDerWaalsContact C-N 3.29Å; A300-L302 PolarHBondContact O-N 3.38Å; A300-R303 WeakPolarHBondContact O-CB 3.42Å; A300-R303 PolarHBondContact O-N 3.39Å; A300-V506 HydrophobicContact CB-CG2 4.21Å; A300-L511 HydrophobicContact CB-CD2 4.32Å; A300-L516 HydrophobicContact CB-CB 4.34Å; A300-L516 HydrophobicContact CB-CD2 4.25Å; A300-L516 WeakPolarHBondContact CB-O 3.49Å
301	A	98.4	Very high	98.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-61.9	-35.1	176.1	0	0	0	0	0	112.6	G297 L298 R303 I304 T305 I419 I446 L516	G297-A301 WeakPolarHBondContact O-CB 3.35Å; G297-A301 PolarHBondContact O-N 3.06Å; L298-A301 CarbonylContact O-C 3.59Å; L298-A301 WeakPolarHBondContact O-CA 3.31Å; L298-A301 WeakPolarHBondContact O-CB 3.34Å; L298-A301 PolarHBondContact O-N 3.21Å; A301-R303 PolarHBondContact O-N 3.38Å; A301-I304 WeakPolarHBondContact O-CA 3.2Å; A301-I304 WeakPolarHBondContact O-CB 3.26Å; A301-I304 PolarHBondContact O-N 3.08Å; A301-T305 PolarHBondContact O-N 3.43Å; A301-T305 PolarHBondContact O-OG1 2.93Å; A301-I419 HydrophobicContact CB-CD1 3.91Å; A301-I419 HydrophobicContact CB-CG1 4.19Å; A301-I446 HydrophobicContact CB-CD1 4.47Å; A301-I446 HydrophobicContact CB-CG2 3.76Å; A301-L516 HydrophobicContact CB-CD1 4.36Å; A301-L516 HydrophobicContact CB-CD2 4.12Å
302	L	98.3	Very high	98.1	Very high	14 Å²	14	32.7 Å²	32.7	7%	0.073	16%	0.158	C	C	.	.	H	α-helix	trans	-59.7	-29.2	177.1	-68.8	-177.4	0	0	0	113	L298 L299 A300 I304 T305 K306 S307 M309 H312	L298-L302 WeakPolarHBondContact O-CG 3.35Å; L298-L302 PolarHBondContact O-N 2.7Å; L299-L302 HydrophobicContact CD2-CD1 4.18Å; L299-L302 PolarHBondContact O-N 2.82Å; A300-L302 VanDerWaalsContact C-N 3.29Å; A300-L302 PolarHBondContact O-N 3.38Å; L302-I304 VanDerWaalsContact C-N 3.32Å; L302-T305 VanDerWaalsContact CA-OG1 3.31Å; L302-T305 WeakPolarHBondContact CA-OG1 3.46Å; L302-T305 PolarHBondContact O-OG1 2.99Å; L302-K306 WeakPolarHBondContact O-CA 3.49Å; L302-K306 PolarHBondContact O-N 3.32Å; L302-S307 PolarHBondContact O-N 2.88Å; L302-M309 HydrophobicContact CD1-CB 3.94Å; L302-M309 HydrophobicContact CD1-CE 4.16Å; L302-M309 VanDerWaalsContact CD1-N 3.35Å; L302-H312 WeakPolarHBondContact CD2-NE2 3.4Å
303	R	98.3	Very high	98.1	Very high	90 Å²	90	34.5 Å²	34.5	34%	0.34	17%	0.169	S	C	.	.	H	α-helix	trans	-69.7	-31.3	174.2	-66.7	165	57.2	-165.9	-4.1	112.1	A300 A301 A503 V506 E508 L511	A300-R303 WeakPolarHBondContact O-CB 3.42Å; A300-R303 PolarHBondContact O-N 3.39Å; A301-R303 PolarHBondContact O-N 3.38Å; R303-A503 PolarHBondContact NH1-O 2.92Å; R303-V506 PolarHBondContact NH1-O 2.86Å; R303-V506 PolarHBondContact NH2-O 3.12Å; R303-E508 IonicContact CZ-OE1 3.76Å; R303-E508 IonicContact NE-OE1 3.88Å; R303-E508 IonicContact NH2-OE1 3.73Å; R303-E508 PolarHBondContact NH2-OE1 2.82Å; R303-L511 HydrophobicContact CB-CD1 3.84Å
304	I	97.8	Very high	98.1	Very high	32 Å²	32	34.4 Å²	34.4	16%	0.164	17%	0.169	C	C	.	.	H	α-helix	trans	-74.7	-46.8	174.9	-57.8	173.2	0	0	0	110.2	A301 L302 K306 I446 L511 L516	A301-I304 WeakPolarHBondContact O-CA 3.2Å; A301-I304 WeakPolarHBondContact O-CB 3.26Å; A301-I304 PolarHBondContact O-N 3.08Å; L302-I304 VanDerWaalsContact C-N 3.32Å; I304-K306 PolarHBondContact O-N 3.36Å; I304-I446 HydrophobicContact CB-CD1 3.87Å; I304-I446 HydrophobicContact CD1-CD1 4.33Å; I304-I446 HydrophobicContact CD1-CG1 4.26Å; I304-I446 HydrophobicContact CD1-CG2 4.27Å; I304-I446 HydrophobicContact CG2-CD1 3.7Å; I304-I446 HydrophobicContact CG2-CG1 4.13Å; I304-L511 HydrophobicContact CD1-CD2 4.05Å; I304-L511 HydrophobicContact CG1-CB 4.31Å; I304-L511 HydrophobicContact CG1-CD1 4.44Å; I304-L511 HydrophobicContact CG1-CD2 4.06Å; I304-L516 HydrophobicContact CD1-CD2 3.82Å
305	T	97.7	Very high	98.1	Very high	36 Å²	36	34.4 Å²	34.4	22%	0.221	17%	0.169	C	C	.	.	H	α-helix	trans	-75.7	-13.8	-179.5	56.3	0	0	0	0	113.1	A301 L302 S307 R417 I419 I446	A301-T305 PolarHBondContact O-N 3.43Å; A301-T305 PolarHBondContact O-OG1 2.93Å; L302-T305 VanDerWaalsContact CA-OG1 3.31Å; L302-T305 WeakPolarHBondContact CA-OG1 3.46Å; L302-T305 PolarHBondContact O-OG1 2.99Å; T305-S307 WeakPolarHBondContact CB-OG 3.5Å; T305-S307 PolarHBondContact O-N 2.57Å; T305-S307 PolarHBondContact OG1-OG 3.03Å; T305-R417 HydrophobicContact CG2-CB 4.15Å; T305-I419 HydrophobicContact CG2-CD1 4.44Å; T305-I446 HydrophobicContact CG2-CD1 3.59Å
306	K	97.4	Very high	98.1	Very high	191 Å²	191	34.4 Å²	34.4	83%	0.83	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	41.3	-176.2	-58.1	178.8	-179.3	176.4	0	112.1	L302 I304	L302-K306 WeakPolarHBondContact O-CA 3.49Å; L302-K306 PolarHBondContact O-N 3.32Å; I304-K306 PolarHBondContact O-N 3.36Å
307	S	97.4	Very high	98	Very high	31 Å²	31	35.2 Å²	35.2	22%	0.217	17%	0.172	C	C	.	.			trans	-126.1	173.2	-177.3	56.8	0	0	0	0	111.2	L302 T305 H312	L302-S307 PolarHBondContact O-N 2.88Å; T305-S307 WeakPolarHBondContact CB-OG 3.5Å; T305-S307 PolarHBondContact O-N 2.57Å; T305-S307 PolarHBondContact OG1-OG 3.03Å; S307-H312 PolarHBondContact OG-NE2 3.08Å
308	K	97.5	Very high	97.8	Very high	119 Å²	119	35.6 Å²	35.6	52%	0.517	18%	0.176	S	C	.	.			trans	-100.8	155.8	172.2	-67.6	-173.2	177.4	-173.5	0	110.3	S310 N311 H312	K308-S310 PolarHBondContact O-N 3.23Å; K308-N311 PolarHBondContact N-ND2 2.83Å; K308-N311 WeakPolarHBondContact O-CB 3.37Å; K308-N311 PolarHBondContact O-N 3.23Å; K308-H312 PolarHBondContact O-CD2 3.39Å
309	M	97.9	Very high	97.6	Very high	2 Å²	2	36 Å²	36	1%	0.01	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-54.7	-41.7	177.3	-172.6	67.5	72.6	0	0	110.6	L298 L299 L302 N311 H312 I314 I330 A333 M334 E337	L298-M309 HydrophobicContact CB-CE 3.7Å; L298-M309 HydrophobicContact CD1-CE 4.2Å; L298-M309 HydrophobicContact CD1-SD 4.38Å; L299-M309 HydrophobicContact CD2-CE 4.17Å; L302-M309 HydrophobicContact CD1-CB 3.94Å; L302-M309 HydrophobicContact CD1-CE 4.16Å; L302-M309 VanDerWaalsContact CD1-N 3.35Å; M309-N311 PolarHBondContact O-N 3.34Å; M309-H312 PolarHBondContact O-N 3.23Å; M309-I314 HydrophobicContact SD-CD1 4.31Å; M309-I330 HydrophobicContact CG-CG2 4.28Å; M309-I330 HydrophobicContact SD-CG2 4.14Å; M309-A333 HydrophobicContact CE-CB 4.46Å; M309-A333 HydrophobicContact CG-CB 4.29Å; M309-M334 HydrophobicContact CB-CG 4.16Å; M309-M334 HydrophobicContact CG-CE 4.04Å; M309-M334 HydrophobicContact CG-CG 3.6Å; M309-M334 WeakPolarHBondContact O-CE 3.45Å; M309-E337 PolarHBondContact N-OE1 2.94Å; M309-E337 PolarHBondContact N-OE2 2.93Å; M309-E337 VanDerWaalsContact N-OE2 3.08Å
310	S	97.3	Very high	97.1	Very high	22 Å²	22	35.4 Å²	35.4	15%	0.154	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-57.6	-16.9	177.6	69.6	0	0	0	0	114.5	K308 H312 E337 K347	K308-S310 PolarHBondContact O-N 3.23Å; S310-H312 VanDerWaalsContact C-N 3.35Å; S310-E337 WeakPolarHBondContact CB-OE2 3.48Å; S310-E337 PolarHBondContact N-OE2 3.5Å; S310-E337 PolarHBondContact OG-OE2 3.15Å; S310-K347 WeakPolarHBondContact O-CD 3.36Å; S310-K347 WeakPolarHBondContact O-CE 3.47Å; S310-K347 PolarHBondContact O-NZ 3.37Å
311	N	96.4	Very high	96.6	Very high	97 Å²	97	35.4 Å²	35.4	52%	0.519	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-85.1	-9.5	178.7	-62.5	-14	0	0	0	112.9	K308 M309	K308-N311 PolarHBondContact N-ND2 2.83Å; K308-N311 WeakPolarHBondContact O-CB 3.37Å; K308-N311 PolarHBondContact O-N 3.23Å; M309-N311 PolarHBondContact O-N 3.34Å
312	H	98.1	Very high	96.2	Very high	13 Å²	13	36.3 Å²	36.3	6%	0.06	19%	0.189	C	C	.	.			trans	-96.9	148.4	-173	-69	-97.6	0	0	0	112.8	L302 S307 K308 M309 S310 I314 T391	L302-H312 WeakPolarHBondContact CD2-NE2 3.4Å; S307-H312 PolarHBondContact OG-NE2 3.08Å; K308-H312 PolarHBondContact O-CD2 3.39Å; M309-H312 PolarHBondContact O-N 3.23Å; S310-H312 VanDerWaalsContact C-N 3.35Å; H312-I314 HydrophobicContact CB-CD1 4.49Å; H312-I314 HydrophobicContact CB-CG1 4.2Å; H312-T391 WeakPolarHBondContact CA-OG1 3.48Å; H312-T391 WeakPolarHBondContact CB-OG1 3.46Å; H312-T391 VanDerWaalsContact CG-OG1 3.28Å; H312-T391 WeakPolarHBondContact ND1-CB 3.3Å; H312-T391 PolarHBondContact ND1-OG1 2.67Å
313	T	98.4	Very high	96.1	Very high	38 Å²	38	35.7 Å²	35.7	23%	0.233	19%	0.185	C	C	.	.			trans	-113.4	126.3	165.2	-62.1	0	0	0	0	106.9	K347 P390 T391 A392	T313-K347 WeakPolarHBondContact CA-O 3.2Å; T313-P390 WeakPolarHBondContact O-CA 3.26Å; T313-P390 WeakPolarHBondContact O-CB 3.49Å; T313-T391 PolarHBondContact N-OG1 3.4Å; T313-T391 VanDerWaalsContact N-OG1 3.11Å; T313-T391 PolarHBondContact O-N 2.98Å; T313-T391 PolarHBondContact O-OG1 2.98Å; T313-A392 PolarHBondContact O-N 3.15Å
314	I	98.6	Very high	95.8	Very high	1 Å²	1	32 Å²	32	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	126.3	-166.2	-52.5	-177.2	0	0	0	109	M309 H312 F316 I330 M334 K347 W349 A392 I394	M309-I314 HydrophobicContact SD-CD1 4.31Å; H312-I314 HydrophobicContact CB-CD1 4.49Å; H312-I314 HydrophobicContact CB-CG1 4.2Å; I314-F316 HydrophobicContact CG2-CD2 4.2Å; I314-F316 HydrophobicContact CG2-CE2 3.71Å; I314-F316 HydrophobicContact CG2-CZ 4.2Å; I314-I330 HydrophobicContact CD1-CD1 3.74Å; I314-I330 HydrophobicContact CD1-CG1 4.48Å; I314-I330 HydrophobicContact CD1-CG2 3.76Å; I314-I330 HydrophobicContact CG2-CD1 4.5Å; I314-M334 HydrophobicContact CD1-CE 4.36Å; I314-K347 PolarHBondContact N-O 3.07Å; I314-W349 PolarHBondContact O-N 2.94Å; I314-A392 WeakPolarHBondContact CA-O 3.32Å; I314-A392 HydrophobicContact CG1-CB 4.19Å; I314-A392 HydrophobicContact CG2-CB 4.32Å; I314-I394 HydrophobicContact CG2-CD1 3.74Å; I314-I394 HydrophobicContact CG2-CG1 4.18Å
315	V	98.6	Very high	95.7	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	123	175.6	168	0	0	0	0	109.4	W349 L381 V384 L388 P390 A392 I393 I394	V315-W349 WeakPolarHBondContact CA-O 3.4Å; V315-W349 HydrophobicContact CG2-CB 3.91Å; V315-L381 HydrophobicContact CG1-CD1 4.13Å; V315-V384 HydrophobicContact CG1-CG1 4.2Å; V315-V384 HydrophobicContact CG2-CG1 4.46Å; V315-L388 HydrophobicContact CG2-CB 4.48Å; V315-L388 HydrophobicContact CG2-CD1 3.89Å; V315-P390 HydrophobicContact CB-CB 4.03Å; V315-P390 HydrophobicContact CB-CG 3.97Å; V315-P390 HydrophobicContact CG2-CB 3.64Å; V315-P390 HydrophobicContact CG2-CG 3.7Å; V315-A392 PolarHBondContact N-O 3.07Å; V315-I393 WeakPolarHBondContact O-CA 3.35Å; V315-I394 PolarHBondContact O-N 3.05Å
316	F	98.5	Very high	95.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	131.3	171.8	-70.7	-94	0	0	0	111	I314 A323 I326 A327 I330 I348 W349 M350 V351 I394 V396	I314-F316 HydrophobicContact CG2-CD2 4.2Å; I314-F316 HydrophobicContact CG2-CE2 3.71Å; I314-F316 HydrophobicContact CG2-CZ 4.2Å; F316-A323 HydrophobicContact CD1-CB 4.14Å; F316-A323 HydrophobicContact CG-CB 4.49Å; F316-I326 HydrophobicContact CE1-CB 3.85Å; F316-I326 HydrophobicContact CE1-CD1 4.09Å; F316-I326 HydrophobicContact CE1-CG2 3.76Å; F316-I326 HydrophobicContact CZ-CB 3.97Å; F316-I326 HydrophobicContact CZ-CG2 3.64Å; F316-A327 HydrophobicContact CE2-CB 4.14Å; F316-A327 HydrophobicContact CZ-CB 4.35Å; F316-I330 HydrophobicContact CE2-CD1 4.35Å; F316-I330 HydrophobicContact CZ-CD1 3.88Å; F316-I348 HydrophobicContact CD2-CG2 3.93Å; F316-I348 HydrophobicContact CE2-CG2 3.69Å; F316-W349 PolarHBondContact N-O 2.79Å; F316-M350 HydrophobicContact CB-CB 4.44Å; F316-M350 HydrophobicContact CB-CG 4.09Å; F316-M350 HydrophobicContact CD2-CG 4.26Å; F316-M350 HydrophobicContact CG-CG 4.47Å; F316-V351 PolarHBondContact O-N 2.85Å; F316-I394 CarbonylContact C-O 3.58Å; F316-I394 VanDerWaalsContact CA-O 3.29Å; F316-I394 WeakPolarHBondContact CA-O 3.42Å; F316-I394 HydrophobicContact CD1-CB 3.77Å; F316-I394 HydrophobicContact CD1-CG2 3.89Å; F316-I394 HydrophobicContact CE1-CB 3.8Å; F316-I394 HydrophobicContact CE1-CD1 3.76Å; F316-I394 HydrophobicContact CE1-CG1 4.34Å; F316-I394 HydrophobicContact CE1-CG2 3.74Å; F316-I394 HydrophobicContact CG-CB 4.48Å; F316-I394 HydrophobicContact CZ-CD1 3.75Å; F316-V396 HydrophobicContact CD1-CG2 4.41Å
317	Q	97.4	Very high	95.7	Very high	18 Å²	18	20.1 Å²	20.1	8%	0.084	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	106.4	157.6	-174.5	-150.6	-9.6	0	0	108.6	L381 I394 V396 A397 F403	Q317-L381 HydrophobicContact CB-CD1 4.38Å; Q317-L381 HydrophobicContact CB-CD2 4.01Å; Q317-L381 HydrophobicContact CG-CD2 3.93Å; Q317-I394 PolarHBondContact N-O 2.86Å; Q317-V396 PolarHBondContact O-N 3.19Å; Q317-A397 HydrophobicContact CG-CB 4.07Å; Q317-A397 WeakPolarHBondContact O-CB 3.47Å; Q317-A397 PolarHBondContact O-N 2.79Å; Q317-F403 HydrophobicContact CB-CE1 4.04Å
318	G	94.3	Very high	95.6	Very high	7 Å²	7	20.4 Å²	20.4	7%	0.072	12%	0.117	C	C	.	.			trans	115.6	146	-169.9	0	0	0	0	0	110.8	A323 V351	G318-A323 VanDerWaalsContact O-CB 3.28Å; G318-A323 WeakPolarHBondContact O-CB 3.31Å; G318-V351 CarbonylContact C-O 3.54Å; G318-V351 VanDerWaalsContact CA-O 3.27Å; G318-V351 WeakPolarHBondContact CA-O 3.45Å; G318-V351 PolarHBondContact N-O 3.22Å
319	A	93	Very high	95.6	Very high	11 Å²	11	14.9 Å²	14.9	9%	0.091	9%	0.093	C	C	.	.			trans	-142.5	41.6	178.5	0	0	0	0	0	110.8	M324 M350 D352 I357 K368	A319-M324 HydrophobicContact CB-CE 4Å; A319-M350 HydrophobicContact CB-CB 4.26Å; A319-M350 HydrophobicContact CB-SD 4.28Å; A319-D352 HydrophobicContact CB-CB 3.98Å; A319-I357 HydrophobicContact CB-CD1 3.53Å; A319-K368 WeakPolarHBondContact O-CE 3.39Å
320	G	89.6	Confident	95.6	Very high	21 Å²	21	14.8 Å²	14.8	22%	0.216	9%	0.092	C	C	.	.	S	Bend	trans	-100	-157.7	176.7	0	0	0	0	0	112.6	A322 A323 M324	G320-A322 PolarHBondContact O-N 3.47Å; G320-A323 PolarHBondContact O-N 2.76Å; G320-M324 WeakPolarHBondContact O-CG 3.13Å; G320-M324 PolarHBondContact O-N 2.97Å; G320-M324 VanDerWaalsContact O-N 3.11Å
321	E	87.7	Confident	95.6	Very high	1 Å²	1	13.7 Å²	13.7	1%	0.005	9%	0.085	C	C	.	.	H	α-helix	trans	-45.1	-62.1	178.5	-72.3	168	-179	0	0	113.5	R172 F264 N266 A269 F270 I287 A323 M324 G325	R172-E321 IonicContact CZ-OE2 2.71Å; R172-E321 IonicContact NH1-OE2 3.61Å; R172-E321 PolarHBondContact NH1-OE2 3.28Å; R172-E321 IonicContact NH2-OE2 3.72Å; F264-E321 VanDerWaalsContact O-OE1 3.11Å; N266-E321 WeakPolarHBondContact CA-OE1 3.38Å; N266-E321 HydrophobicContact CB-CG 4.33Å; N266-E321 PolarHBondContact N-OE1 3.07Å; N266-E321 VanDerWaalsContact OD1-CD 3.24Å; N266-E321 WeakPolarHBondContact OD1-CG 3.35Å; N266-E321 PolarHBondContact OD1-OE1 2.8Å; A269-E321 HydrophobicContact CB-CG 4.19Å; A269-E321 WeakPolarHBondContact CB-OE1 3.45Å; F270-E321 HydrophobicContact CD2-CG 4.32Å; F270-E321 HydrophobicContact CE2-CB 4.31Å; F270-E321 HydrophobicContact CE2-CG 3.83Å; F270-E321 VanDerWaalsContact CZ-CA 3.43Å; F270-E321 HydrophobicContact CZ-CB 4.38Å; F270-E321 HydrophobicContact CZ-CG 4.33Å; I287-E321 HydrophobicContact CD1-CG 4.36Å; I287-E321 HydrophobicContact CG1-CB 3.76Å; I287-E321 HydrophobicContact CG1-CG 3.96Å; E321-A323 PolarHBondContact O-N 2.86Å; E321-M324 PolarHBondContact O-N 3.44Å; E321-G325 PolarHBondContact O-N 3.27Å
322	A	90.9	Very high	95.7	Very high	18 Å²	18	10.4 Å²	10.4	15%	0.149	7%	0.067	C	C	.	.	H	α-helix	trans	-57.2	-49.9	-179.4	0	0	0	0	0	112.3	T290 G320 M324 G325 I326 V396	T290-A322 HydrophobicContact CG2-CB 3.7Å; G320-A322 PolarHBondContact O-N 3.47Å; A322-M324 PolarHBondContact O-N 2.76Å; A322-G325 PolarHBondContact O-N 2.87Å; A322-I326 HydrophobicContact CB-CD1 4.44Å; A322-I326 WeakPolarHBondContact O-CB 3.36Å; A322-I326 WeakPolarHBondContact O-CD1 3.47Å; A322-I326 WeakPolarHBondContact O-CG1 3.45Å; A322-I326 PolarHBondContact O-N 2.71Å; A322-V396 HydrophobicContact CB-CB 4.08Å; A322-V396 HydrophobicContact CB-CG1 3.97Å
323	A	94.8	Very high	95.7	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.008	7%	0.067	C	C	.	.	H	α-helix	trans	-58	-45.9	-177.3	0	0	0	0	0	112.5	F316 G318 G320 E321 A327 V396	F316-A323 HydrophobicContact CD1-CB 4.14Å; F316-A323 HydrophobicContact CG-CB 4.49Å; G318-A323 VanDerWaalsContact O-CB 3.28Å; G318-A323 WeakPolarHBondContact O-CB 3.31Å; G320-A323 PolarHBondContact O-N 2.76Å; E321-A323 PolarHBondContact O-N 2.86Å; A323-A327 WeakPolarHBondContact O-CB 3.13Å; A323-A327 PolarHBondContact O-N 2.86Å; A323-V396 HydrophobicContact CB-CG2 3.74Å
324	M	92.3	Very high	95.7	Very high	14 Å²	14	8.3 Å²	8.3	7%	0.069	6%	0.055	C	C	.	.	H	α-helix	trans	-69.5	-41.3	-179.1	-61.4	-66	164.8	0	0	111.8	F270 A319 G320 E321 A322 A327 E328 M350 E367 K368 F371	F270-M324 HydrophobicContact CE1-CB 3.99Å; F270-M324 HydrophobicContact CZ-CB 3.66Å; F270-M324 HydrophobicContact CZ-CG 3.87Å; A319-M324 HydrophobicContact CB-CE 4Å; G320-M324 WeakPolarHBondContact O-CG 3.13Å; G320-M324 PolarHBondContact O-N 2.97Å; G320-M324 VanDerWaalsContact O-N 3.11Å; E321-M324 PolarHBondContact O-N 3.44Å; A322-M324 PolarHBondContact O-N 2.76Å; M324-A327 PolarHBondContact O-N 2.67Å; M324-E328 PolarHBondContact O-N 2.86Å; M324-M350 HydrophobicContact CE-CE 4.37Å; M324-M350 HydrophobicContact CE-SD 3.53Å; M324-M350 VanDerWaalsContact CE-SD 3.53Å; M324-M350 HydrophobicContact SD-CE 3.88Å; M324-M350 HydrophobicContact SD-SD 3.83Å; M324-E367 HydrophobicContact SD-CB 4.35Å; M324-K368 HydrophobicContact CE-CB 4.18Å; M324-K368 HydrophobicContact CE-CG 3.36Å; M324-F371 HydrophobicContact SD-CD2 3.84Å; M324-F371 HydrophobicContact SD-CE2 3.7Å
325	G	95.1	Very high	95.6	Very high	9 Å²	9	11.3 Å²	11.3	9%	0.093	7%	0.07	C	C	.	.	H	α-helix	trans	-60.1	-51	176.2	0	0	0	0	0	111.4	A291 E321 A322 A327 E328 L329	A291-G325 VanDerWaalsContact CB-O 3.26Å; A291-G325 WeakPolarHBondContact CB-O 3.33Å; E321-G325 PolarHBondContact O-N 3.27Å; A322-G325 PolarHBondContact O-N 2.87Å; G325-A327 VanDerWaalsContact C-N 3.34Å; G325-A327 PolarHBondContact O-N 2.52Å; G325-E328 PolarHBondContact O-N 2.9Å; G325-L329 PolarHBondContact O-N 2.94Å; G325-L329 VanDerWaalsContact O-N 3.12Å
326	I	97.9	Very high	95.5	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-59.8	-46.5	178.5	-58.8	162.7	0	0	0	110	T290 A294 F316 A322 E328 L329 I330 I394 V396 L423	T290-I326 HydrophobicContact CG2-CD1 4.09Å; T290-I326 HydrophobicContact CG2-CG1 4.34Å; A294-I326 HydrophobicContact CB-CB 4.46Å; A294-I326 HydrophobicContact CB-CD1 3.81Å; A294-I326 HydrophobicContact CB-CG1 3.72Å; A294-I326 HydrophobicContact CB-CG2 3.82Å; F316-I326 HydrophobicContact CE1-CB 3.85Å; F316-I326 HydrophobicContact CE1-CD1 4.09Å; F316-I326 HydrophobicContact CE1-CG2 3.76Å; F316-I326 HydrophobicContact CZ-CB 3.97Å; F316-I326 HydrophobicContact CZ-CG2 3.64Å; A322-I326 HydrophobicContact CB-CD1 4.44Å; A322-I326 WeakPolarHBondContact O-CB 3.36Å; A322-I326 WeakPolarHBondContact O-CD1 3.47Å; A322-I326 WeakPolarHBondContact O-CG1 3.45Å; A322-I326 PolarHBondContact O-N 2.71Å; I326-E328 PolarHBondContact O-N 3.12Å; I326-L329 PolarHBondContact O-N 3.5Å; I326-I330 HydrophobicContact CG2-CD1 3.65Å; I326-I330 HydrophobicContact CG2-CG1 4.2Å; I326-I330 WeakPolarHBondContact O-CB 3.31Å; I326-I330 VanDerWaalsContact O-CG1 3.24Å; I326-I330 WeakPolarHBondContact O-CG1 3.41Å; I326-I330 PolarHBondContact O-N 3.19Å; I326-I394 HydrophobicContact CD1-CG2 4.42Å; I326-I394 HydrophobicContact CG2-CD1 4.41Å; I326-V396 HydrophobicContact CD1-CG1 4.09Å; I326-L423 HydrophobicContact CD1-CD1 4.16Å
327	A	97.2	Very high	95.4	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-63.4	-40.7	-178.9	0	0	0	0	0	113.7	F316 A323 M324 G325 L329 S331 I348 M350 F371	F316-A327 HydrophobicContact CE2-CB 4.14Å; F316-A327 HydrophobicContact CZ-CB 4.35Å; A323-A327 WeakPolarHBondContact O-CB 3.13Å; A323-A327 PolarHBondContact O-N 2.86Å; M324-A327 PolarHBondContact O-N 2.67Å; G325-A327 VanDerWaalsContact C-N 3.34Å; G325-A327 PolarHBondContact O-N 2.52Å; A327-L329 VanDerWaalsContact C-N 3.34Å; A327-S331 PolarHBondContact O-N 3.48Å; A327-I348 HydrophobicContact CB-CD1 4.33Å; A327-I348 HydrophobicContact CB-CG2 3.85Å; A327-I348 WeakPolarHBondContact O-CD1 3.42Å; A327-M350 HydrophobicContact CB-CE 3.24Å; A327-F371 HydrophobicContact CB-CE1 3.68Å; A327-F371 HydrophobicContact CB-CE2 4.22Å; A327-F371 HydrophobicContact CB-CZ 3.48Å; A327-F371 VanDerWaalsContact CB-CZ 3.48Å
328	E	95.6	Very high	95.3	Very high	36 Å²	36	23 Å²	23	17%	0.168	14%	0.14	C	C	.	.	H	α-helix	trans	-60.9	-46.4	173.9	-173.2	69.4	-159.9	0	0	110.6	M324 G325 I326 I330 S331 M332 K341 R370	M324-E328 PolarHBondContact O-N 2.86Å; G325-E328 PolarHBondContact O-N 2.9Å; I326-E328 PolarHBondContact O-N 3.12Å; E328-I330 PolarHBondContact O-N 3.35Å; E328-S331 WeakPolarHBondContact O-CB 3.28Å; E328-S331 PolarHBondContact O-N 3.44Å; E328-S331 VanDerWaalsContact O-N 3.13Å; E328-M332 WeakPolarHBondContact O-CG 3.38Å; E328-M332 PolarHBondContact O-N 2.88Å; E328-K341 IonicContact OE1-NZ 3.1Å; E328-R370 IonicContact OE1-NH2 3.67Å; E328-R370 PolarHBondContact OE1-NH2 2.81Å; E328-R370 IonicContact OE2-CZ 2.9Å; E328-R370 IonicContact OE2-NH1 2.69Å; E328-R370 PolarHBondContact OE2-NH1 3.14Å; E328-R370 IonicContact OE2-NH2 2.65Å; E328-R370 PolarHBondContact OE2-NH2 3.41Å
329	L	97.7	Very high	95.4	Very high	3 Å²	3	24.3 Å²	24.3	2%	0.016	15%	0.146	C	C	.	.	H	α-helix	trans	-70.1	-33.3	-176.4	-160.3	67.1	0	0	0	112.4	A291 A292 V295 G325 I326 A327 M332 A333 E492 F495 L496	A291-L329 HydrophobicContact CB-CB 4.07Å; A291-L329 HydrophobicContact CB-CD2 3.9Å; A292-L329 HydrophobicContact CB-CD2 4.23Å; V295-L329 HydrophobicContact CB-CD2 3.96Å; V295-L329 HydrophobicContact CB-CG 4.37Å; V295-L329 HydrophobicContact CG1-CD2 4.47Å; V295-L329 HydrophobicContact CG2-CB 3.83Å; V295-L329 HydrophobicContact CG2-CD2 3.82Å; V295-L329 HydrophobicContact CG2-CG 3.9Å; G325-L329 PolarHBondContact O-N 2.94Å; G325-L329 VanDerWaalsContact O-N 3.12Å; I326-L329 PolarHBondContact O-N 3.5Å; A327-L329 VanDerWaalsContact C-N 3.34Å; L329-M332 HydrophobicContact CD1-SD 4.42Å; L329-M332 PolarHBondContact O-N 2.97Å; L329-A333 WeakPolarHBondContact O-CB 3.17Å; L329-A333 PolarHBondContact O-N 3.16Å; L329-E492 HydrophobicContact CD1-CB 4.33Å; L329-F495 HydrophobicContact CD1-CB 4.4Å; L329-F495 HydrophobicContact CD2-CB 4.39Å; L329-L496 HydrophobicContact CD1-CB 3.77Å; L329-L496 HydrophobicContact CD1-CD1 4.46Å; L329-L496 HydrophobicContact CG-CB 4.5Å; L329-L496 HydrophobicContact CG-CD1 4.38Å
330	I	98.4	Very high	95.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62.3	-45.9	168.5	-72	170.1	0	0	0	110.6	V295 L298 M309 I314 F316 I326 E328 M332 A333 M334 I348 I394	V295-I330 HydrophobicContact CG2-CG1 3.81Å; L298-I330 HydrophobicContact CD1-CD1 3.54Å; L298-I330 HydrophobicContact CD1-CG1 3.8Å; M309-I330 HydrophobicContact CG-CG2 4.28Å; M309-I330 HydrophobicContact SD-CG2 4.14Å; I314-I330 HydrophobicContact CD1-CD1 3.74Å; I314-I330 HydrophobicContact CD1-CG1 4.48Å; I314-I330 HydrophobicContact CD1-CG2 3.76Å; I314-I330 HydrophobicContact CG2-CD1 4.5Å; F316-I330 HydrophobicContact CE2-CD1 4.35Å; F316-I330 HydrophobicContact CZ-CD1 3.88Å; I326-I330 HydrophobicContact CG2-CD1 3.65Å; I326-I330 HydrophobicContact CG2-CG1 4.2Å; I326-I330 WeakPolarHBondContact O-CB 3.31Å; I326-I330 VanDerWaalsContact O-CG1 3.24Å; I326-I330 WeakPolarHBondContact O-CG1 3.41Å; I326-I330 PolarHBondContact O-N 3.19Å; E328-I330 PolarHBondContact O-N 3.35Å; I330-M332 VanDerWaalsContact C-N 3.28Å; I330-M332 PolarHBondContact O-N 3.4Å; I330-A333 WeakPolarHBondContact O-CB 3.41Å; I330-A333 PolarHBondContact O-N 2.85Å; I330-A333 VanDerWaalsContact O-N 3.14Å; I330-M334 HydrophobicContact CG2-CE 3.68Å; I330-M334 HydrophobicContact CG2-SD 4.48Å; I330-M334 WeakPolarHBondContact O-CG 3.44Å; I330-M334 PolarHBondContact O-N 3.02Å; I330-I348 HydrophobicContact CB-CD1 4.22Å; I330-I348 HydrophobicContact CG2-CD1 3.83Å; I330-I348 HydrophobicContact CG2-CG1 4.26Å; I330-I394 HydrophobicContact CD1-CD1 4.39Å
331	S	97.6	Very high	95.8	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-57.5	-45.5	177.5	-172.9	0	0	0	0	110.6	A327 E328 A333 M334 E335 S344	A327-S331 PolarHBondContact O-N 3.48Å; E328-S331 WeakPolarHBondContact O-CB 3.28Å; E328-S331 PolarHBondContact O-N 3.44Å; E328-S331 VanDerWaalsContact O-N 3.13Å; S331-A333 PolarHBondContact O-N 3.03Å; S331-M334 PolarHBondContact O-N 3.49Å; S331-E335 WeakPolarHBondContact O-CB 3.04Å; S331-E335 VanDerWaalsContact O-CG 3.29Å; S331-E335 WeakPolarHBondContact O-CG 3.37Å; S331-E335 PolarHBondContact O-N 2.96Å; S331-E335 PolarHBondContact OG-OE1 3.08Å; S331-S344 VanDerWaalsContact OG-CB 3.3Å; S331-S344 WeakPolarHBondContact OG-CB 3.32Å
332	M	97.8	Very high	96.1	Very high	28 Å²	28	36.1 Å²	36.1	14%	0.138	20%	0.201	C	C	.	.	H	α-helix	trans	-62.9	-39	176.1	-69.8	179.5	62.3	0	0	112.8	E328 L329 I330 E335 K336 E492 L496	E328-M332 WeakPolarHBondContact O-CG 3.38Å; E328-M332 PolarHBondContact O-N 2.88Å; L329-M332 HydrophobicContact CD1-SD 4.42Å; L329-M332 PolarHBondContact O-N 2.97Å; I330-M332 VanDerWaalsContact C-N 3.28Å; I330-M332 PolarHBondContact O-N 3.4Å; M332-E335 PolarHBondContact O-N 3.14Å; M332-K336 WeakPolarHBondContact O-CB 3.47Å; M332-K336 PolarHBondContact O-N 3.28Å; M332-E492 HydrophobicContact CE-CB 3.59Å; M332-E492 HydrophobicContact SD-CB 3.27Å; M332-E492 WeakPolarHBondContact SD-CB 3.23Å; M332-E492 HydrophobicContact SD-CG 3.91Å; M332-L496 HydrophobicContact CB-CD2 4.23Å
333	A	98	Very high	96.3	Very high	6 Å²	6	40.4 Å²	40.4	5%	0.05	22%	0.218	C	C	.	.	H	α-helix	trans	-62.7	-42.2	174.4	0	0	0	0	0	111.6	M309 L329 I330 S331 K336 E337 L496	M309-A333 HydrophobicContact CE-CB 4.46Å; M309-A333 HydrophobicContact CG-CB 4.29Å; L329-A333 WeakPolarHBondContact O-CB 3.17Å; L329-A333 PolarHBondContact O-N 3.16Å; I330-A333 WeakPolarHBondContact O-CB 3.41Å; I330-A333 PolarHBondContact O-N 2.85Å; I330-A333 VanDerWaalsContact O-N 3.14Å; S331-A333 PolarHBondContact O-N 3.03Å; A333-K336 PolarHBondContact O-N 2.96Å; A333-E337 PolarHBondContact O-N 3.19Å; A333-L496 HydrophobicContact CB-CD1 4Å
334	M	98.3	Very high	96.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-65.6	-38.8	174	-65.7	-175.2	-176.8	0	0	112.2	M309 I314 I330 S331 K336 E337 G338 L339 S344 K347	M309-M334 HydrophobicContact CB-CG 4.16Å; M309-M334 HydrophobicContact CG-CE 4.04Å; M309-M334 HydrophobicContact CG-CG 3.6Å; M309-M334 WeakPolarHBondContact O-CE 3.45Å; I314-M334 HydrophobicContact CD1-CE 4.36Å; I330-M334 HydrophobicContact CG2-CE 3.68Å; I330-M334 HydrophobicContact CG2-SD 4.48Å; I330-M334 WeakPolarHBondContact O-CG 3.44Å; I330-M334 PolarHBondContact O-N 3.02Å; S331-M334 PolarHBondContact O-N 3.49Å; M334-K336 VanDerWaalsContact C-N 3.34Å; M334-E337 WeakPolarHBondContact O-CB 3.47Å; M334-E337 PolarHBondContact O-N 3.43Å; M334-E337 VanDerWaalsContact O-N 3.15Å; M334-G338 PolarHBondContact O-N 3.19Å; M334-L339 HydrophobicContact CB-CB 4.28Å; M334-L339 HydrophobicContact CB-CD2 4.19Å; M334-L339 WeakPolarHBondContact O-CB 3.42Å; M334-L339 PolarHBondContact O-N 2.87Å; M334-L339 VanDerWaalsContact O-N 3.08Å; M334-L339 HydrophobicContact SD-CD2 4.13Å; M334-S344 WeakPolarHBondContact CB-OG 3.41Å; M334-K347 HydrophobicContact CE-CB 3.92Å; M334-K347 HydrophobicContact CE-CD 4.1Å; M334-K347 HydrophobicContact SD-CB 4.14Å; M334-K347 HydrophobicContact SD-CD 3.83Å
335	E	97.6	Very high	96.5	Very high	65 Å²	65	40.8 Å²	40.8	30%	0.304	22%	0.22	S	C	.	.	H	α-helix	trans	-64	-39.2	175.9	-73.4	170.3	-130.3	0	0	111.6	S331 M332 E337 G338 L339 K341	S331-E335 WeakPolarHBondContact O-CB 3.04Å; S331-E335 VanDerWaalsContact O-CG 3.29Å; S331-E335 WeakPolarHBondContact O-CG 3.37Å; S331-E335 PolarHBondContact O-N 2.96Å; S331-E335 PolarHBondContact OG-OE1 3.08Å; M332-E335 PolarHBondContact O-N 3.14Å; E335-E337 PolarHBondContact O-N 3.02Å; E335-G338 WeakPolarHBondContact O-CA 3.44Å; E335-G338 PolarHBondContact O-N 3.04Å; E335-L339 WeakPolarHBondContact CA-O 3.47Å; E335-K341 HydrophobicContact CG-CB 4.41Å; E335-K341 WeakPolarHBondContact OE1-CG 3.49Å
336	K	96.3	Very high	96.5	Very high	126 Å²	126	46.5 Å²	46.5	55%	0.548	24%	0.242	S	C	.	.	H	α-helix	trans	-63.9	-28.2	173.7	-169.4	173.8	-179.5	176.4	0	112.7	M332 A333 M334 G338 L496 E500	M332-K336 WeakPolarHBondContact O-CB 3.47Å; M332-K336 PolarHBondContact O-N 3.28Å; A333-K336 PolarHBondContact O-N 2.96Å; M334-K336 VanDerWaalsContact C-N 3.34Å; K336-G338 VanDerWaalsContact C-N 3.25Å; K336-L496 HydrophobicContact CD-CD2 4.09Å; K336-E500 WeakPolarHBondContact CD-OE1 3.33Å; K336-E500 WeakPolarHBondContact CE-OE1 3.26Å; K336-E500 IonicContact NZ-OE1 2.67Å; K336-E500 PolarHBondContact NZ-OE1 3.37Å; K336-E500 IonicContact NZ-OE2 3.44Å; K336-E500 PolarHBondContact NZ-OE2 2.97Å
337	E	96.4	Very high	96.5	Very high	68 Å²	68	49 Å²	49	32%	0.318	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-4.8	171.6	-67.6	177.9	163	0	0	113.6	M309 S310 A333 M334 E335	M309-E337 PolarHBondContact N-OE1 2.94Å; M309-E337 PolarHBondContact N-OE2 2.93Å; M309-E337 VanDerWaalsContact N-OE2 3.08Å; S310-E337 WeakPolarHBondContact CB-OE2 3.48Å; S310-E337 PolarHBondContact N-OE2 3.5Å; S310-E337 PolarHBondContact OG-OE2 3.15Å; A333-E337 PolarHBondContact O-N 3.19Å; M334-E337 WeakPolarHBondContact O-CB 3.47Å; M334-E337 PolarHBondContact O-N 3.43Å; M334-E337 VanDerWaalsContact O-N 3.15Å; E335-E337 PolarHBondContact O-N 3.02Å
338	G	95.9	Very high	96.6	Very high	68 Å²	68	49 Å²	49	70%	0.701	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.6	5.9	175.5	0	0	0	0	0	115.4	M334 E335 K336	M334-G338 PolarHBondContact O-N 3.19Å; E335-G338 WeakPolarHBondContact O-CA 3.44Å; E335-G338 PolarHBondContact O-N 3.04Å; K336-G338 VanDerWaalsContact C-N 3.25Å
339	L	96.4	Very high	96.7	Very high	36 Å²	36	48.7 Å²	48.7	19%	0.188	25%	0.25	C	S	.	.			trans	-78.1	141.8	177.6	-162.5	66.2	0	0	0	111	M334 E335 E343 K347	M334-L339 HydrophobicContact CB-CB 4.28Å; M334-L339 HydrophobicContact CB-CD2 4.19Å; M334-L339 WeakPolarHBondContact O-CB 3.42Å; M334-L339 PolarHBondContact O-N 2.87Å; M334-L339 VanDerWaalsContact O-N 3.08Å; M334-L339 HydrophobicContact SD-CD2 4.13Å; E335-L339 WeakPolarHBondContact CA-O 3.47Å; L339-E343 HydrophobicContact CD1-CB 3.94Å; L339-E343 WeakPolarHBondContact CD1-OE2 3.45Å; L339-E343 HydrophobicContact CD2-CB 4.16Å; L339-E343 HydrophobicContact CG-CB 3.79Å; L339-K347 HydrophobicContact CD2-CD 3.88Å
340	G	96.7	Very high	96.7	Very high	33 Å²	33	48.5 Å²	48.5	34%	0.34	25%	0.249	S	C	.	.			trans	-68.5	146.1	176.7	0	0	0	0	0	111.9	E342 E343 S344	G340-E342 VanDerWaalsContact C-N 3.31Å; G340-E342 PolarHBondContact O-N 3.13Å; G340-E343 PolarHBondContact N-OE2 3.07Å; G340-E343 WeakPolarHBondContact O-CA 3.06Å; G340-E343 WeakPolarHBondContact O-CB 3.36Å; G340-E343 PolarHBondContact O-N 2.93Å; G340-S344 PolarHBondContact O-N 2.91Å; G340-S344 PolarHBondContact O-OG 3.23Å
341	K	93.7	Very high	96.6	Very high	98 Å²	98	49 Å²	49	43%	0.426	25%	0.252	S	S	.	.	H	α-helix	trans	-50.3	-45.4	-178.8	-178.3	163	-171.2	158.1	0	114	E328 E335 E343 S344 L345	E328-K341 IonicContact OE1-NZ 3.1Å; E335-K341 HydrophobicContact CG-CB 4.41Å; E335-K341 WeakPolarHBondContact OE1-CG 3.49Å; K341-E343 VanDerWaalsContact C-N 3.31Å; K341-E343 PolarHBondContact O-N 3.42Å; K341-S344 PolarHBondContact O-N 3.06Å; K341-L345 HydrophobicContact CG-CD1 4.43Å; K341-L345 WeakPolarHBondContact O-CG 3.4Å; K341-L345 PolarHBondContact O-N 2.93Å
342	E	93.4	Very high	96.4	Very high	150 Å²	150	50.2 Å²	50.2	70%	0.701	26%	0.259	S	S	*	.	H	α-helix	trans	-65.3	-33.8	178.1	-67.3	-171.6	173.2	0	0	113	G340 K346	G340-E342 VanDerWaalsContact C-N 3.31Å; G340-E342 PolarHBondContact O-N 3.13Å; E342-K346 VanDerWaalsContact O-CG 3.32Å; E342-K346 WeakPolarHBondContact O-CG 3.45Å; E342-K346 PolarHBondContact O-N 3.47Å
343	E	95.2	Very high	96.1	Very high	107 Å²	107	54.8 Å²	54.8	50%	0.5	29%	0.294	S	S	.	.	H	α-helix	trans	-74	-37.2	177.2	-63.4	-178	127.2	0	0	111.4	L339 G340 K341 K346	L339-E343 HydrophobicContact CD1-CB 3.94Å; L339-E343 WeakPolarHBondContact CD1-OE2 3.45Å; L339-E343 HydrophobicContact CD2-CB 4.16Å; L339-E343 HydrophobicContact CG-CB 3.79Å; G340-E343 PolarHBondContact N-OE2 3.07Å; G340-E343 WeakPolarHBondContact O-CA 3.06Å; G340-E343 WeakPolarHBondContact O-CB 3.36Å; G340-E343 PolarHBondContact O-N 2.93Å; K341-E343 VanDerWaalsContact C-N 3.31Å; K341-E343 PolarHBondContact O-N 3.42Å; E343-K346 PolarHBondContact O-N 3.29Å
344	S	96.1	Very high	95.8	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-59.7	-47.1	172	-57.9	0	0	0	0	111.2	S331 M334 G340 K341 K346 K347	S331-S344 VanDerWaalsContact OG-CB 3.3Å; S331-S344 WeakPolarHBondContact OG-CB 3.32Å; M334-S344 WeakPolarHBondContact CB-OG 3.41Å; G340-S344 PolarHBondContact O-N 2.91Å; G340-S344 PolarHBondContact O-OG 3.23Å; K341-S344 PolarHBondContact O-N 3.06Å; S344-K346 VanDerWaalsContact C-N 3.33Å; S344-K346 PolarHBondContact O-N 3Å; S344-K347 WeakPolarHBondContact O-CB 3.46Å; S344-K347 PolarHBondContact O-N 3.03Å; S344-K347 VanDerWaalsContact O-N 3.15Å
345	L	95.1	Very high	95.6	Very high	24 Å²	24	59.9 Å²	59.9	13%	0.126	32%	0.315	C	S	.	.	H	α-helix	trans	-62.2	-37.8	178.3	-67.4	175.9	0	0	0	112.5	K341 K347 I348 F371 H373	K341-L345 HydrophobicContact CG-CD1 4.43Å; K341-L345 WeakPolarHBondContact O-CG 3.4Å; K341-L345 PolarHBondContact O-N 2.93Å; L345-K347 PolarHBondContact O-N 2.88Å; L345-K347 VanDerWaalsContact O-N 3.14Å; L345-I348 PolarHBondContact O-N 2.74Å; L345-I348 VanDerWaalsContact O-N 3.07Å; L345-F371 HydrophobicContact CD2-CD1 4.08Å; L345-F371 HydrophobicContact CD2-CE1 3.49Å; L345-F371 VanDerWaalsContact CD2-CE1 3.49Å; L345-F371 HydrophobicContact CD2-CZ 4.03Å; L345-H373 PolarHBondContact O-CE1 3.43Å; L345-H373 PolarHBondContact O-NE2 2.9Å; L345-H373 VanDerWaalsContact O-NE2 3.11Å
346	K	96.1	Very high	95.6	Very high	128 Å²	128	56.8 Å²	56.8	56%	0.557	30%	0.301	S	S	*	.	H	α-helix	trans	-62.6	-17.3	177.5	-76.7	171.3	-176.7	171.2	0	114.1	E342 E343 S344 W349	E342-K346 VanDerWaalsContact O-CG 3.32Å; E342-K346 WeakPolarHBondContact O-CG 3.45Å; E342-K346 PolarHBondContact O-N 3.47Å; E343-K346 PolarHBondContact O-N 3.29Å; S344-K346 VanDerWaalsContact C-N 3.33Å; S344-K346 PolarHBondContact O-N 3Å; K346-W349 PolarHBondContact O-NE1 2.86Å
347	K	97.6	Very high	95.6	Very high	54 Å²	54	50.8 Å²	50.8	24%	0.235	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-5.9	177.1	-72.7	175	174	-83.6	0	113.4	S310 T313 I314 M334 L339 S344 L345	S310-K347 WeakPolarHBondContact O-CD 3.36Å; S310-K347 WeakPolarHBondContact O-CE 3.47Å; S310-K347 PolarHBondContact O-NZ 3.37Å; T313-K347 WeakPolarHBondContact CA-O 3.2Å; I314-K347 PolarHBondContact N-O 3.07Å; M334-K347 HydrophobicContact CE-CB 3.92Å; M334-K347 HydrophobicContact CE-CD 4.1Å; M334-K347 HydrophobicContact SD-CB 4.14Å; M334-K347 HydrophobicContact SD-CD 3.83Å; L339-K347 HydrophobicContact CD2-CD 3.88Å; S344-K347 WeakPolarHBondContact O-CB 3.46Å; S344-K347 PolarHBondContact O-N 3.03Å; S344-K347 VanDerWaalsContact O-N 3.15Å; L345-K347 PolarHBondContact O-N 2.88Å; L345-K347 VanDerWaalsContact O-N 3.14Å
348	I	98.3	Very high	95.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	123.5	-173.4	-58.6	167.5	0	0	0	110.2	F316 A327 I330 L345 M350 F371 H373	F316-I348 HydrophobicContact CD2-CG2 3.93Å; F316-I348 HydrophobicContact CE2-CG2 3.69Å; A327-I348 HydrophobicContact CB-CD1 4.33Å; A327-I348 HydrophobicContact CB-CG2 3.85Å; A327-I348 WeakPolarHBondContact O-CD1 3.42Å; I330-I348 HydrophobicContact CB-CD1 4.22Å; I330-I348 HydrophobicContact CG2-CD1 3.83Å; I330-I348 HydrophobicContact CG2-CG1 4.26Å; L345-I348 PolarHBondContact O-N 2.74Å; L345-I348 VanDerWaalsContact O-N 3.07Å; I348-M350 HydrophobicContact CG2-CE 4.21Å; I348-F371 HydrophobicContact CB-CD1 4.06Å; I348-F371 HydrophobicContact CB-CE1 4.18Å; I348-F371 HydrophobicContact CD1-CE1 4.16Å; I348-F371 HydrophobicContact CG2-CD1 3.87Å; I348-F371 HydrophobicContact CG2-CE1 3.96Å; I348-H373 PolarHBondContact O-NE2 3.49Å
349	W	98.3	Very high	95.4	Very high	28 Å²	28	51.7 Å²	51.7	11%	0.106	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	147.6	-177.7	-62.6	84.2	0	0	0	110.3	I314 V315 F316 K346 L356 H373 H375 L388	I314-W349 PolarHBondContact O-N 2.94Å; V315-W349 WeakPolarHBondContact CA-O 3.4Å; V315-W349 HydrophobicContact CG2-CB 3.91Å; F316-W349 PolarHBondContact N-O 2.79Å; K346-W349 PolarHBondContact O-NE1 2.86Å; W349-L356 HydrophobicContact CE3-CD1 4.18Å; W349-L356 HydrophobicContact CE3-CD2 4.37Å; W349-L356 HydrophobicContact CZ3-CD2 4.43Å; W349-H373 AromaticContact CD2-CD2 3.66Å; W349-H373 AromaticContact CE2-CD2 3.75Å; W349-H373 HydrophobicContact CE3-CB 4.41Å; W349-H373 AromaticContact CE3-CD2 3.61Å; W349-H373 HydrophobicContact CH2-CB 3.54Å; W349-H373 AromaticContact CH2-CD2 3.81Å; W349-H373 AromaticContact CH2-CG 3.98Å; W349-H373 HydrophobicContact CZ2-CB 4.23Å; W349-H373 AromaticContact CZ2-CD2 3.82Å; W349-H373 HydrophobicContact CZ3-CB 3.65Å; W349-H373 AromaticContact CZ3-CD2 3.69Å; W349-H375 HydrophobicContact CH2-CB 4.05Å; W349-H375 AromaticContact CH2-CD2 3.86Å; W349-H375 HydrophobicContact CZ3-CB 3.78Å; W349-H375 AromaticContact CZ3-CG 3.9Å; W349-L388 HydrophobicContact CB-CD1 3.82Å; W349-L388 HydrophobicContact CD2-CD1 3.48Å; W349-L388 VanDerWaalsContact CD2-CD1 3.48Å; W349-L388 HydrophobicContact CD2-CD2 4.1Å; W349-L388 HydrophobicContact CD2-CG 4.46Å; W349-L388 HydrophobicContact CE3-CD1 3.76Å; W349-L388 HydrophobicContact CE3-CD2 4.24Å; W349-L388 HydrophobicContact CG-CD1 3.51Å; W349-L388 HydrophobicContact CH2-CD2 4.1Å; W349-L388 HydrophobicContact CZ2-CD2 3.97Å; W349-L388 HydrophobicContact CZ3-CD2 4.23Å
350	M	97.4	Very high	95.1	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	141.1	-176.3	-60.4	-176.4	179.1	0	0	111.7	F316 A319 M324 A327 I348 I357 F371	F316-M350 HydrophobicContact CB-CB 4.44Å; F316-M350 HydrophobicContact CB-CG 4.09Å; F316-M350 HydrophobicContact CD2-CG 4.26Å; F316-M350 HydrophobicContact CG-CG 4.47Å; A319-M350 HydrophobicContact CB-CB 4.26Å; A319-M350 HydrophobicContact CB-SD 4.28Å; M324-M350 HydrophobicContact CE-CE 4.37Å; M324-M350 HydrophobicContact CE-SD 3.53Å; M324-M350 VanDerWaalsContact CE-SD 3.53Å; M324-M350 HydrophobicContact SD-CE 3.88Å; M324-M350 HydrophobicContact SD-SD 3.83Å; A327-M350 HydrophobicContact CB-CE 3.24Å; I348-M350 HydrophobicContact CG2-CE 4.21Å; M350-I357 HydrophobicContact CB-CB 4.43Å; M350-I357 HydrophobicContact CB-CD1 3.88Å; M350-I357 HydrophobicContact CB-CG1 4.25Å; M350-I357 WeakPolarHBondContact O-CB 3.19Å; M350-I357 WeakPolarHBondContact O-CG1 3.44Å; M350-I357 PolarHBondContact O-N 3.26Å; M350-F371 HydrophobicContact CE-CB 4.38Å; M350-F371 HydrophobicContact CE-CD1 3.93Å; M350-F371 HydrophobicContact CE-CD2 3.48Å; M350-F371 VanDerWaalsContact CE-CD2 3.48Å; M350-F371 HydrophobicContact CE-CE1 4.03Å; M350-F371 HydrophobicContact CE-CE2 3.59Å; M350-F371 HydrophobicContact CE-CG 3.66Å; M350-F371 HydrophobicContact CE-CZ 3.87Å; M350-F371 HydrophobicContact SD-CB 4.21Å; M350-F371 HydrophobicContact SD-CD2 3.91Å; M350-F371 HydrophobicContact SD-CG 4.07Å
351	V	96	Very high	94.8	Very high	10 Å²	10	52.7 Å²	52.7	6%	0.061	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	130.2	174.8	-177.5	0	0	0	0	108.5	F316 G318 G355 L356 L381 V384	F316-V351 PolarHBondContact O-N 2.85Å; G318-V351 CarbonylContact C-O 3.54Å; G318-V351 VanDerWaalsContact CA-O 3.27Å; G318-V351 WeakPolarHBondContact CA-O 3.45Å; G318-V351 PolarHBondContact N-O 3.22Å; V351-G355 WeakPolarHBondContact CA-O 3.12Å; V351-L356 HydrophobicContact CG2-CD1 4.01Å; V351-L381 HydrophobicContact CB-CD1 4.4Å; V351-L381 HydrophobicContact CG2-CD1 3.96Å; V351-V384 HydrophobicContact CG2-CB 4.43Å; V351-V384 HydrophobicContact CG2-CG1 4.05Å; V351-V384 HydrophobicContact CG2-CG2 4.16Å
352	D	93.6	Very high	94.5	Very high	25 Å²	25	54.1 Å²	54.1	13%	0.134	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	-170.7	170.5	70	9.2	0	0	0	111.6	A319 K354 G355 R361 K368	A319-D352 HydrophobicContact CB-CB 3.98Å; D352-K354 PolarHBondContact O-N 3.44Å; D352-K354 WeakPolarHBondContact OD1-CB 3.05Å; D352-K354 PolarHBondContact OD1-N 3.18Å; D352-G355 PolarHBondContact N-O 3.4Å; D352-G355 PolarHBondContact O-N 2.99Å; D352-R361 VanDerWaalsContact CG-NH2 3.29Å; D352-R361 IonicContact OD1-CZ 3.45Å; D352-R361 IonicContact OD1-NH1 2.9Å; D352-R361 PolarHBondContact OD1-NH1 3.06Å; D352-R361 IonicContact OD1-NH2 2.63Å; D352-R361 PolarHBondContact OD1-NH2 2.86Å; D352-R361 IonicContact OD2-CZ 3.76Å; D352-R361 IonicContact OD2-NH1 3.88Å; D352-R361 IonicContact OD2-NH2 3.74Å; D352-R361 PolarHBondContact OD2-NH2 3.29Å; D352-K368 IonicContact OD2-NZ 3.03Å; D352-K368 PolarHBondContact OD2-NZ 3.3Å
353	S	91.4	Very high	94	Very high	125 Å²	125	52.4 Å²	52.4	87%	0.874	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-13.8	-179.6	57.6	0	0	0	0	114.4
354	K	92.5	Very high	93.5	Very high	110 Å²	110	48.9 Å²	48.9	48%	0.478	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-2.6	176.7	-60.6	-179.1	179.5	177.3	0	112.9	D352 N363	D352-K354 PolarHBondContact O-N 3.44Å; D352-K354 WeakPolarHBondContact OD1-CB 3.05Å; D352-K354 PolarHBondContact OD1-N 3.18Å; K354-N363 HydrophobicContact CD-CB 4.41Å; K354-N363 PolarHBondContact NZ-ND2 3.49Å
355	G	93.9	Very high	93	Very high	2 Å²	2	51.9 Å²	51.9	2%	0.021	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	110.2	-159.5	-178	0	0	0	0	0	113.2	V351 D352 R361 M378	V351-G355 WeakPolarHBondContact CA-O 3.12Å; D352-G355 PolarHBondContact N-O 3.4Å; D352-G355 PolarHBondContact O-N 2.99Å; G355-R361 PolarHBondContact O-NH1 3.3Å; G355-M378 CarbonylContact C-O 3.57Å; G355-M378 VanDerWaalsContact CA-O 3.31Å; G355-M378 WeakPolarHBondContact CA-O 3.37Å
356	L	96.8	Very high	92.4	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.005	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	137.9	179	-171.8	65.3	0	0	0	111.3	W349 V351 V358 R361 M378 V384 L388	W349-L356 HydrophobicContact CE3-CD1 4.18Å; W349-L356 HydrophobicContact CE3-CD2 4.37Å; W349-L356 HydrophobicContact CZ3-CD2 4.43Å; V351-L356 HydrophobicContact CG2-CD1 4.01Å; L356-V358 HydrophobicContact CB-CG1 4.21Å; L356-V358 HydrophobicContact CD2-CG1 3.6Å; L356-V358 HydrophobicContact CG-CG1 3.66Å; L356-V358 PolarHBondContact O-N 3.06Å; L356-R361 WeakPolarHBondContact O-CD 3.39Å; L356-R361 PolarHBondContact O-NH1 2.93Å; L356-M378 HydrophobicContact CB-CB 4.2Å; L356-M378 HydrophobicContact CD2-CB 4.47Å; L356-M378 HydrophobicContact CD2-CG 4.38Å; L356-M378 HydrophobicContact CD2-SD 4.21Å; L356-M378 PolarHBondContact N-O 3.41Å; L356-V384 HydrophobicContact CB-CG2 4.04Å; L356-V384 HydrophobicContact CD1-CG1 3.79Å; L356-V384 HydrophobicContact CD1-CG2 4.12Å; L356-V384 HydrophobicContact CD2-CG2 4.36Å; L356-V384 HydrophobicContact CG-CG2 4.41Å; L356-L388 HydrophobicContact CD1-CD1 4.46Å
357	I	96	Very high	91.8	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.296	C	S	.	.			trans	-80.3	113.5	172.3	-65.2	-171.2	0	0	0	108.5	A319 M350 L364 K368 A372	A319-I357 HydrophobicContact CB-CD1 3.53Å; M350-I357 HydrophobicContact CB-CB 4.43Å; M350-I357 HydrophobicContact CB-CD1 3.88Å; M350-I357 HydrophobicContact CB-CG1 4.25Å; M350-I357 WeakPolarHBondContact O-CB 3.19Å; M350-I357 WeakPolarHBondContact O-CG1 3.44Å; M350-I357 PolarHBondContact O-N 3.26Å; I357-L364 HydrophobicContact CG1-CD2 4.37Å; I357-L364 HydrophobicContact CG2-CD2 3.82Å; I357-K368 HydrophobicContact CD1-CB 4Å; I357-K368 HydrophobicContact CD1-CD 3.83Å; I357-K368 HydrophobicContact CD1-CG 3.75Å; I357-K368 WeakPolarHBondContact CG2-O 3.4Å; I357-A372 HydrophobicContact CG2-CB 3.91Å
358	V	96.3	Very high	91.4	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.012	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-138.4	156.6	-177.9	-56.6	0	0	0	0	110.7	L356 G360 R361 H373 H375 Q377	L356-V358 HydrophobicContact CB-CG1 4.21Å; L356-V358 HydrophobicContact CD2-CG1 3.6Å; L356-V358 HydrophobicContact CG-CG1 3.66Å; L356-V358 PolarHBondContact O-N 3.06Å; V358-G360 PolarHBondContact O-N 3.47Å; V358-R361 HydrophobicContact CG2-CB 4.07Å; V358-R361 VanDerWaalsContact O-CB 3.24Å; V358-R361 WeakPolarHBondContact O-CB 3.28Å; V358-R361 PolarHBondContact O-N 3.42Å; V358-H373 CarbonylContact C-O 3.56Å; V358-H373 WeakPolarHBondContact CA-O 3.43Å; V358-H375 HydrophobicContact CB-CB 4.46Å; V358-H375 HydrophobicContact CG1-CB 3.8Å; V358-Q377 HydrophobicContact CG2-CG 3.63Å
359	K	93.8	Very high	91	Very high	152 Å²	152	59 Å²	59	66%	0.661	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	133.6	-179.9	-169	174.1	179.7	-179.2	0	110.9	R361 H373	K359-R361 VanDerWaalsContact C-N 3.29Å; K359-R361 PolarHBondContact O-N 3.48Å; K359-H373 PolarHBondContact N-O 2.98Å
360	G	88.2	Confident	90.6	Very high	70 Å²	70	62.2 Å²	62.2	72%	0.722	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	7.7	-179.9	0	0	0	0	0	115.1	V358	V358-G360 PolarHBondContact O-N 3.47Å
361	R	91.4	Very high	90.3	Very high	21 Å²	21	62.3 Å²	62.3	8%	0.079	33%	0.329	C	S	.	.			trans	-73.2	137.6	170.7	-167.6	-175.1	78.9	155.6	13.4	110.7	D352 G355 L356 V358 K359 L364	D352-R361 VanDerWaalsContact CG-NH2 3.29Å; D352-R361 IonicContact OD1-CZ 3.45Å; D352-R361 IonicContact OD1-NH1 2.9Å; D352-R361 PolarHBondContact OD1-NH1 3.06Å; D352-R361 IonicContact OD1-NH2 2.63Å; D352-R361 PolarHBondContact OD1-NH2 2.86Å; D352-R361 IonicContact OD2-CZ 3.76Å; D352-R361 IonicContact OD2-NH1 3.88Å; D352-R361 IonicContact OD2-NH2 3.74Å; D352-R361 PolarHBondContact OD2-NH2 3.29Å; G355-R361 PolarHBondContact O-NH1 3.3Å; L356-R361 WeakPolarHBondContact O-CD 3.39Å; L356-R361 PolarHBondContact O-NH1 2.93Å; V358-R361 HydrophobicContact CG2-CB 4.07Å; V358-R361 VanDerWaalsContact O-CB 3.24Å; V358-R361 WeakPolarHBondContact O-CB 3.28Å; V358-R361 PolarHBondContact O-N 3.42Å; K359-R361 VanDerWaalsContact C-N 3.29Å; K359-R361 PolarHBondContact O-N 3.48Å; R361-L364 HydrophobicContact CB-CD1 4.3Å; R361-L364 HydrophobicContact CB-CG 4.45Å; R361-L364 WeakPolarHBondContact O-CG 3.41Å
362	D	87.5	Confident	90.2	Very high	128 Å²	128	62.8 Å²	62.8	68%	0.684	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	152.6	176.3	-61.7	-39.6	0	0	0	112.6
363	N	81.8	Confident	90.3	Very high	114 Å²	114	62.7 Å²	62.7	61%	0.61	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.3	39.4	174.3	-48.4	-81.8	0	0	0	115.3	K354	K354-N363 HydrophobicContact CD-CB 4.41Å; K354-N363 PolarHBondContact NZ-ND2 3.49Å
364	L	86.1	Confident	90.4	Very high	32 Å²	32	65 Å²	65	17%	0.168	33%	0.33	C	S	.	.			trans	-81	139	165.8	-64	175.7	0	0	0	109.8	I357 R361 K368 E369 A372	I357-L364 HydrophobicContact CG1-CD2 4.37Å; I357-L364 HydrophobicContact CG2-CD2 3.82Å; R361-L364 HydrophobicContact CB-CD1 4.3Å; R361-L364 HydrophobicContact CB-CG 4.45Å; R361-L364 WeakPolarHBondContact O-CG 3.41Å; L364-K368 HydrophobicContact CB-CB 4.38Å; L364-K368 HydrophobicContact CD2-CB 3.99Å; L364-K368 HydrophobicContact CD2-CD 4.46Å; L364-E369 HydrophobicContact CB-CG 3.78Å; L364-E369 HydrophobicContact CD1-CG 4.28Å; L364-A372 HydrophobicContact CD1-CB 3.86Å
365	T	84.3	Confident	90.6	Very high	64 Å²	64	61.9 Å²	61.9	39%	0.393	32%	0.317	S	S	.	.			trans	-82.4	161.9	164.6	70.5	0	0	0	0	108.6	E367 K368 E369	T365-E367 VanDerWaalsContact CB-OE2 3.24Å; T365-E367 WeakPolarHBondContact CB-OE2 3.41Å; T365-E367 PolarHBondContact O-N 3.37Å; T365-E367 PolarHBondContact OG1-OE2 2.96Å; T365-K368 WeakPolarHBondContact O-CB 3.45Å; T365-K368 PolarHBondContact O-N 3.21Å; T365-K368 PolarHBondContact OG1-N 3.25Å; T365-E369 WeakPolarHBondContact O-CG 3.43Å; T365-E369 PolarHBondContact O-N 3.21Å
366	H	84	Confident	90.7	Very high	138 Å²	138	66.2 Å²	66.2	64%	0.639	35%	0.345	S	S	*	.	H	α-helix	trans	-55	-37.1	178.9	-177.7	58.3	0	0	0	112.7	E369	H366-E369 IonicContact ND1-OE2 3.82Å; H366-E369 PolarHBondContact O-N 3.19Å
367	E	83.3	Confident	90.6	Very high	73 Å²	73	72.6 Å²	72.6	34%	0.341	37%	0.374	S	S	.	.	H	α-helix	trans	-66.5	-39.4	177.3	-56.6	74.3	-161	0	0	111.7	M324 T365	M324-E367 HydrophobicContact SD-CB 4.35Å; T365-E367 VanDerWaalsContact CB-OE2 3.24Å; T365-E367 WeakPolarHBondContact CB-OE2 3.41Å; T365-E367 PolarHBondContact O-N 3.37Å; T365-E367 PolarHBondContact OG1-OE2 2.96Å
368	K	88.4	Confident	90.6	Very high	34 Å²	34	74.3 Å²	74.3	15%	0.148	38%	0.383	C	S	.	.	H	α-helix	trans	-70.5	-33.5	178.6	-73.3	179.3	176.4	-171.2	0	112.9	A319 M324 D352 I357 L364 T365 R370 F371 A372	A319-K368 WeakPolarHBondContact O-CE 3.39Å; M324-K368 HydrophobicContact CE-CB 4.18Å; M324-K368 HydrophobicContact CE-CG 3.36Å; D352-K368 IonicContact OD2-NZ 3.03Å; D352-K368 PolarHBondContact OD2-NZ 3.3Å; I357-K368 HydrophobicContact CD1-CB 4Å; I357-K368 HydrophobicContact CD1-CD 3.83Å; I357-K368 HydrophobicContact CD1-CG 3.75Å; I357-K368 WeakPolarHBondContact CG2-O 3.4Å; L364-K368 HydrophobicContact CB-CB 4.38Å; L364-K368 HydrophobicContact CD2-CB 3.99Å; L364-K368 HydrophobicContact CD2-CD 4.46Å; T365-K368 WeakPolarHBondContact O-CB 3.45Å; T365-K368 PolarHBondContact O-N 3.21Å; T365-K368 PolarHBondContact OG1-N 3.25Å; K368-R370 PolarHBondContact O-N 3.42Å; K368-F371 PolarHBondContact O-N 2.84Å; K368-F371 VanDerWaalsContact O-N 3.1Å; K368-A372 PolarHBondContact O-N 3.02Å
369	E	89.5	Confident	90.4	Very high	110 Å²	110	82.4 Å²	82.4	51%	0.514	42%	0.418	S	S	.	.	H	α-helix	trans	-58.6	-29.3	-179.8	-73.3	177.5	164.7	0	0	112.6	L364 T365 H366 F371 A372	L364-E369 HydrophobicContact CB-CG 3.78Å; L364-E369 HydrophobicContact CD1-CG 4.28Å; T365-E369 WeakPolarHBondContact O-CG 3.43Å; T365-E369 PolarHBondContact O-N 3.21Å; H366-E369 IonicContact ND1-OE2 3.82Å; H366-E369 PolarHBondContact O-N 3.19Å; E369-F371 PolarHBondContact O-N 2.86Å; E369-A372 WeakPolarHBondContact O-CB 3.41Å; E369-A372 PolarHBondContact O-N 3.3Å; E369-A372 VanDerWaalsContact O-N 3.14Å
370	R	90.2	Very high	90.3	Very high	96 Å²	96	79.7 Å²	79.7	36%	0.362	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-23.6	178.1	-61.5	178	61.6	-157.3	-7.9	113.8	E328 K368	E328-R370 IonicContact OE1-NH2 3.67Å; E328-R370 PolarHBondContact OE1-NH2 2.81Å; E328-R370 IonicContact OE2-CZ 2.9Å; E328-R370 IonicContact OE2-NH1 2.69Å; E328-R370 PolarHBondContact OE2-NH1 3.14Å; E328-R370 IonicContact OE2-NH2 2.65Å; E328-R370 PolarHBondContact OE2-NH2 3.41Å; K368-R370 PolarHBondContact O-N 3.42Å
371	F	92.3	Very high	90.7	Very high	2 Å²	2	77.4 Å²	77.4	1%	0.009	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.6	11.2	179.2	-58.5	-79.4	0	0	0	112.2	M324 A327 L345 I348 M350 K368 E369 H373	M324-F371 HydrophobicContact SD-CD2 3.84Å; M324-F371 HydrophobicContact SD-CE2 3.7Å; A327-F371 HydrophobicContact CB-CE1 3.68Å; A327-F371 HydrophobicContact CB-CE2 4.22Å; A327-F371 HydrophobicContact CB-CZ 3.48Å; A327-F371 VanDerWaalsContact CB-CZ 3.48Å; L345-F371 HydrophobicContact CD2-CD1 4.08Å; L345-F371 HydrophobicContact CD2-CE1 3.49Å; L345-F371 VanDerWaalsContact CD2-CE1 3.49Å; L345-F371 HydrophobicContact CD2-CZ 4.03Å; I348-F371 HydrophobicContact CB-CD1 4.06Å; I348-F371 HydrophobicContact CB-CE1 4.18Å; I348-F371 HydrophobicContact CD1-CE1 4.16Å; I348-F371 HydrophobicContact CG2-CD1 3.87Å; I348-F371 HydrophobicContact CG2-CE1 3.96Å; M350-F371 HydrophobicContact CE-CB 4.38Å; M350-F371 HydrophobicContact CE-CD1 3.93Å; M350-F371 HydrophobicContact CE-CD2 3.48Å; M350-F371 VanDerWaalsContact CE-CD2 3.48Å; M350-F371 HydrophobicContact CE-CE1 4.03Å; M350-F371 HydrophobicContact CE-CE2 3.59Å; M350-F371 HydrophobicContact CE-CG 3.66Å; M350-F371 HydrophobicContact CE-CZ 3.87Å; M350-F371 HydrophobicContact SD-CB 4.21Å; M350-F371 HydrophobicContact SD-CD2 3.91Å; M350-F371 HydrophobicContact SD-CG 4.07Å; K368-F371 PolarHBondContact O-N 2.84Å; K368-F371 VanDerWaalsContact O-N 3.1Å; E369-F371 PolarHBondContact O-N 2.86Å; F371-H373 PolarHBondContact O-CD2 3.02Å; F371-H373 PolarHBondContact O-N 3.1Å; F371-H373 PolarHBondContact O-NE2 2.86Å
372	A	94	Very high	91	Very high	19 Å²	19	79 Å²	79	16%	0.157	39%	0.39	C	S	.	.			trans	-86.9	90.3	-178.7	0	0	0	0	0	110.9	I357 L364 K368 E369	I357-A372 HydrophobicContact CG2-CB 3.91Å; L364-A372 HydrophobicContact CD1-CB 3.86Å; K368-A372 PolarHBondContact O-N 3.02Å; E369-A372 WeakPolarHBondContact O-CB 3.41Å; E369-A372 PolarHBondContact O-N 3.3Å; E369-A372 VanDerWaalsContact O-N 3.14Å
373	H	94.1	Very high	91.4	Very high	24 Å²	24	75.2 Å²	75.2	11%	0.111	37%	0.37	C	S	.	.	B	Isolated β-bridge	trans	-81.4	159.9	-179.6	-53.3	-48.3	0	0	0	112.4	L345 I348 W349 V358 K359 F371 H375	L345-H373 PolarHBondContact O-CE1 3.43Å; L345-H373 PolarHBondContact O-NE2 2.9Å; L345-H373 VanDerWaalsContact O-NE2 3.11Å; I348-H373 PolarHBondContact O-NE2 3.49Å; W349-H373 AromaticContact CD2-CD2 3.66Å; W349-H373 AromaticContact CE2-CD2 3.75Å; W349-H373 HydrophobicContact CE3-CB 4.41Å; W349-H373 AromaticContact CE3-CD2 3.61Å; W349-H373 HydrophobicContact CH2-CB 3.54Å; W349-H373 AromaticContact CH2-CD2 3.81Å; W349-H373 AromaticContact CH2-CG 3.98Å; W349-H373 HydrophobicContact CZ2-CB 4.23Å; W349-H373 AromaticContact CZ2-CD2 3.82Å; W349-H373 HydrophobicContact CZ3-CB 3.65Å; W349-H373 AromaticContact CZ3-CD2 3.69Å; V358-H373 CarbonylContact C-O 3.56Å; V358-H373 WeakPolarHBondContact CA-O 3.43Å; K359-H373 PolarHBondContact N-O 2.98Å; F371-H373 PolarHBondContact O-CD2 3.02Å; F371-H373 PolarHBondContact O-N 3.1Å; F371-H373 PolarHBondContact O-NE2 2.86Å; H373-H375 PolarHBondContact O-N 3.25Å; H373-H375 VanDerWaalsContact O-N 3.15Å
374	E	95.1	Very high	92.2	Very high	174 Å²	174	69.8 Å²	69.8	81%	0.813	34%	0.341	S	S	*	.	S	Bend	trans	-72.1	105.8	171.2	-171.3	168.5	-174.4	0	0	109.5
375	H	96.5	Very high	92.8	Very high	43 Å²	43	68.2 Å²	68.2	20%	0.199	33%	0.333	C	S	.	.			trans	-161.6	149	-175.5	-164	-85.9	0	0	0	110.4	W349 V358 H373 M378 D387	W349-H375 HydrophobicContact CH2-CB 4.05Å; W349-H375 AromaticContact CH2-CD2 3.86Å; W349-H375 HydrophobicContact CZ3-CB 3.78Å; W349-H375 AromaticContact CZ3-CG 3.9Å; V358-H375 HydrophobicContact CB-CB 4.46Å; V358-H375 HydrophobicContact CG1-CB 3.8Å; H373-H375 PolarHBondContact O-N 3.25Å; H373-H375 VanDerWaalsContact O-N 3.15Å; H375-M378 VanDerWaalsContact CE1-SD 3.57Å; H375-D387 IonicContact CE1-OD2 3.5Å; H375-D387 PolarHBondContact CE1-OD2 3.13Å; H375-D387 IonicContact NE2-OD2 2.94Å; H375-D387 PolarHBondContact NE2-OD2 3.45Å
376	P	95.2	Very high	93.4	Very high	94 Å²	94	69.4 Å²	69.4	61%	0.61	33%	0.33	S	S	*	.			trans	-53.9	142.8	169.5	-27	34.9	0	0	0	112.5	M378	P376-M378 PolarHBondContact O-N 3.18Å
377	Q	94.6	Very high	94.1	Very high	135 Å²	135	67.2 Å²	67.2	63%	0.631	32%	0.323	S	S	*	.			trans	-65.5	133.8	172.6	-70.7	-174.5	8.9	0	0	110.2	V358	V358-Q377 HydrophobicContact CG2-CG 3.63Å
378	M	95.6	Very high	94.8	Very high	36 Å²	36	65.2 Å²	65.2	18%	0.177	31%	0.314	C	S	.	.			trans	-132.8	137.1	178.2	-57.3	178.9	82.4	0	0	109	G355 L356 H375 P376 D383 V384 D387	G355-M378 CarbonylContact C-O 3.57Å; G355-M378 VanDerWaalsContact CA-O 3.31Å; G355-M378 WeakPolarHBondContact CA-O 3.37Å; L356-M378 HydrophobicContact CB-CB 4.2Å; L356-M378 HydrophobicContact CD2-CB 4.47Å; L356-M378 HydrophobicContact CD2-CG 4.38Å; L356-M378 HydrophobicContact CD2-SD 4.21Å; L356-M378 PolarHBondContact N-O 3.41Å; H375-M378 VanDerWaalsContact CE1-SD 3.57Å; P376-M378 PolarHBondContact O-N 3.18Å; M378-D383 HydrophobicContact CE-CB 3.45Å; M378-D383 VanDerWaalsContact CE-CB 3.45Å; M378-D383 VanDerWaalsContact CE-O 3.26Å; M378-D383 WeakPolarHBondContact CE-O 3.11Å; M378-V384 HydrophobicContact CB-CG2 3.71Å; M378-V384 HydrophobicContact CG-CG2 4.5Å; M378-V384 HydrophobicContact SD-CG2 4.05Å; M378-D387 HydrophobicContact CE-CB 3.85Å; M378-D387 HydrophobicContact SD-CB 4.27Å
379	K	92	Very high	95.2	Very high	172 Å²	172	69.5 Å²	69.5	75%	0.748	33%	0.333	S	S	*	.			trans	-94.5	-39.7	-177.5	-69.5	-173.9	178.4	-179.3	0	113
380	N	93	Very high	95.7	Very high	95 Å²	95	64.2 Å²	64.2	51%	0.508	31%	0.308	S	S	.	.			trans	-96.1	136.7	-171.6	-50.7	-50.4	0	0	0	111.2	E382 D383 V384	N380-E382 VanDerWaalsContact C-N 3.27Å; N380-E382 PolarHBondContact O-N 2.92Å; N380-D383 HydrophobicContact CB-CB 4.45Å; N380-D383 WeakPolarHBondContact CB-OD2 3.27Å; N380-D383 PolarHBondContact ND2-OD2 2.93Å; N380-D383 PolarHBondContact O-N 3.44Å; N380-V384 WeakPolarHBondContact O-CG2 3.2Å; N380-V384 PolarHBondContact O-N 2.84Å
381	L	96.6	Very high	96.1	Very high	21 Å²	21	61.1 Å²	61.1	11%	0.11	30%	0.3	C	S	.	.	H	α-helix	trans	-59.3	-37.9	175.5	-176.4	64.4	0	0	0	112	V315 Q317 V351 D383 V384 V385 I393 F403 I407	V315-L381 HydrophobicContact CG1-CD1 4.13Å; Q317-L381 HydrophobicContact CB-CD1 4.38Å; Q317-L381 HydrophobicContact CB-CD2 4.01Å; Q317-L381 HydrophobicContact CG-CD2 3.93Å; V351-L381 HydrophobicContact CB-CD1 4.4Å; V351-L381 HydrophobicContact CG2-CD1 3.96Å; L381-D383 VanDerWaalsContact C-N 3.3Å; L381-D383 PolarHBondContact O-N 3.42Å; L381-V384 WeakPolarHBondContact O-CB 3.3Å; L381-V384 PolarHBondContact O-N 3.31Å; L381-V385 HydrophobicContact CD1-CG2 4.28Å; L381-V385 HydrophobicContact CG-CG2 4.29Å; L381-V385 WeakPolarHBondContact O-CG2 3.04Å; L381-V385 PolarHBondContact O-N 2.93Å; L381-I393 HydrophobicContact CD2-CD1 4.4Å; L381-F403 HydrophobicContact CD2-CD1 4.07Å; L381-F403 HydrophobicContact CD2-CE1 4.09Å; L381-I407 HydrophobicContact CB-CD1 4.27Å; L381-I407 HydrophobicContact CD2-CD1 3.8Å; L381-I407 HydrophobicContact CG-CD1 3.88Å
382	E	96.7	Very high	96.4	Very high	55 Å²	55	61 Å²	61	26%	0.257	30%	0.299	S	S	.	.	H	α-helix	trans	-58.3	-39.7	176.1	-71.3	-168.6	-177.8	0	0	113.2	N380 R386 S404 R406 I407	N380-E382 VanDerWaalsContact C-N 3.27Å; N380-E382 PolarHBondContact O-N 2.92Å; E382-R386 WeakPolarHBondContact O-CG 3.21Å; E382-R386 PolarHBondContact O-N 3.08Å; E382-R386 PolarHBondContact O-NE 2.84Å; E382-S404 PolarHBondContact OE1-OG 2.69Å; E382-R406 VanDerWaalsContact OE2-CD 3.25Å; E382-R406 WeakPolarHBondContact OE2-CD 3.29Å; E382-R406 IonicContact OE2-CZ 3.36Å; E382-R406 IonicContact OE2-NE 3.03Å; E382-R406 IonicContact OE2-NH1 2.57Å; E382-R406 PolarHBondContact OE2-NH1 3.2Å; E382-I407 HydrophobicContact CB-CG1 4.46Å; E382-I407 HydrophobicContact CG-CD1 3.81Å; E382-I407 HydrophobicContact CG-CG1 3.67Å
383	D	96.9	Very high	96.6	Very high	48 Å²	48	60.1 Å²	60.1	26%	0.257	29%	0.292	S	S	.	.	H	α-helix	trans	-70.6	-44	179.5	-60.3	-33	0	0	0	109.4	M378 N380 L381 V385 R386 D387	M378-D383 HydrophobicContact CE-CB 3.45Å; M378-D383 VanDerWaalsContact CE-CB 3.45Å; M378-D383 VanDerWaalsContact CE-O 3.26Å; M378-D383 WeakPolarHBondContact CE-O 3.11Å; N380-D383 HydrophobicContact CB-CB 4.45Å; N380-D383 WeakPolarHBondContact CB-OD2 3.27Å; N380-D383 PolarHBondContact ND2-OD2 2.93Å; N380-D383 PolarHBondContact O-N 3.44Å; L381-D383 VanDerWaalsContact C-N 3.3Å; L381-D383 PolarHBondContact O-N 3.42Å; D383-V385 PolarHBondContact O-N 3.34Å; D383-R386 PolarHBondContact O-N 3.25Å; D383-R386 IonicContact OD1-CZ 3.73Å; D383-R386 IonicContact OD1-NH2 2.7Å; D383-R386 PolarHBondContact OD1-NH2 3.01Å; D383-D387 WeakPolarHBondContact O-CB 3.48Å; D383-D387 PolarHBondContact O-N 3.41Å
384	V	97.7	Very high	96.8	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-58.3	-46.3	177.2	173.2	0	0	0	0	111.3	V315 V351 L356 M378 N380 L381 R386 D387 L388	V315-V384 HydrophobicContact CG1-CG1 4.2Å; V315-V384 HydrophobicContact CG2-CG1 4.46Å; V351-V384 HydrophobicContact CG2-CB 4.43Å; V351-V384 HydrophobicContact CG2-CG1 4.05Å; V351-V384 HydrophobicContact CG2-CG2 4.16Å; L356-V384 HydrophobicContact CB-CG2 4.04Å; L356-V384 HydrophobicContact CD1-CG1 3.79Å; L356-V384 HydrophobicContact CD1-CG2 4.12Å; L356-V384 HydrophobicContact CD2-CG2 4.36Å; L356-V384 HydrophobicContact CG-CG2 4.41Å; M378-V384 HydrophobicContact CB-CG2 3.71Å; M378-V384 HydrophobicContact CG-CG2 4.5Å; M378-V384 HydrophobicContact SD-CG2 4.05Å; N380-V384 WeakPolarHBondContact O-CG2 3.2Å; N380-V384 PolarHBondContact O-N 2.84Å; L381-V384 WeakPolarHBondContact O-CB 3.3Å; L381-V384 PolarHBondContact O-N 3.31Å; V384-R386 PolarHBondContact O-N 2.86Å; V384-D387 PolarHBondContact O-N 3.04Å; V384-L388 HydrophobicContact CG1-CD1 3.64Å; V384-L388 HydrophobicContact CG1-CG 4.3Å; V384-L388 WeakPolarHBondContact O-CB 3.24Å; V384-L388 WeakPolarHBondContact O-CG 3.45Å; V384-L388 PolarHBondContact O-N 2.91Å
385	V	98.3	Very high	97	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63.5	-42.6	-179.8	168.7	0	0	0	0	111.3	L381 D383 K389 P390 I393 I407 D410 M411 F414	L381-V385 HydrophobicContact CD1-CG2 4.28Å; L381-V385 HydrophobicContact CG-CG2 4.29Å; L381-V385 WeakPolarHBondContact O-CG2 3.04Å; L381-V385 PolarHBondContact O-N 2.93Å; D383-V385 PolarHBondContact O-N 3.34Å; V385-K389 VanDerWaalsContact O-CA 3.3Å; V385-K389 WeakPolarHBondContact O-CA 3.4Å; V385-K389 PolarHBondContact O-N 3.36Å; V385-P390 VanDerWaalsContact O-CD 3.31Å; V385-P390 WeakPolarHBondContact O-CD 3.32Å; V385-I393 HydrophobicContact CG2-CD1 3.81Å; V385-I407 HydrophobicContact CG1-CG2 4.39Å; V385-I407 HydrophobicContact CG2-CG2 4.22Å; V385-D410 HydrophobicContact CG1-CB 4.38Å; V385-M411 HydrophobicContact CG1-CG 4.33Å; V385-M411 HydrophobicContact CG1-SD 4.07Å; V385-F414 HydrophobicContact CG1-CE2 4.11Å; V385-F414 WeakPolarHBondContact O-CE2 3.39Å
386	R	97.7	Very high	96.9	Very high	89 Å²	89	50.1 Å²	50.1	34%	0.336	25%	0.248	S	C	.	.	H	α-helix	trans	-69.3	-34.6	179.9	-73	-176.2	-65.8	160.2	-3.8	113.5	E382 D383 V384 K389 R406 D410 F414	E382-R386 WeakPolarHBondContact O-CG 3.21Å; E382-R386 PolarHBondContact O-N 3.08Å; E382-R386 PolarHBondContact O-NE 2.84Å; D383-R386 PolarHBondContact O-N 3.25Å; D383-R386 IonicContact OD1-CZ 3.73Å; D383-R386 IonicContact OD1-NH2 2.7Å; D383-R386 PolarHBondContact OD1-NH2 3.01Å; V384-R386 PolarHBondContact O-N 2.86Å; R386-K389 WeakPolarHBondContact O-CG 3.38Å; R386-R406 VanDerWaalsContact NH1-NH2 3.13Å; R386-D410 WeakPolarHBondContact CD-OD2 3.36Å; R386-D410 WeakPolarHBondContact CG-OD2 3.37Å; R386-F414 HydrophobicContact CG-CZ 4.41Å
387	D	98	Very high	96.7	Very high	92 Å²	92	47.6 Å²	47.6	49%	0.492	23%	0.234	S	C	.	.	H	α-helix	trans	-78.1	-50.7	-178.8	-168.3	63.4	0	0	0	111.6	H375 M378 D383 V384	H375-D387 IonicContact CE1-OD2 3.5Å; H375-D387 PolarHBondContact CE1-OD2 3.13Å; H375-D387 IonicContact NE2-OD2 2.94Å; H375-D387 PolarHBondContact NE2-OD2 3.45Å; M378-D387 HydrophobicContact CE-CB 3.85Å; M378-D387 HydrophobicContact SD-CB 4.27Å; D383-D387 WeakPolarHBondContact O-CB 3.48Å; D383-D387 PolarHBondContact O-N 3.41Å; V384-D387 PolarHBondContact O-N 3.04Å
388	L	97.8	Very high	96.6	Very high	30 Å²	30	43.3 Å²	43.3	16%	0.157	22%	0.222	C	C	.	.	H	α-helix	trans	-79.4	-21.6	-177.7	-61.5	-178.9	0	0	0	114.1	V315 W349 L356 V384	V315-L388 HydrophobicContact CG2-CB 4.48Å; V315-L388 HydrophobicContact CG2-CD1 3.89Å; W349-L388 HydrophobicContact CB-CD1 3.82Å; W349-L388 HydrophobicContact CD2-CD1 3.48Å; W349-L388 VanDerWaalsContact CD2-CD1 3.48Å; W349-L388 HydrophobicContact CD2-CD2 4.1Å; W349-L388 HydrophobicContact CD2-CG 4.46Å; W349-L388 HydrophobicContact CE3-CD1 3.76Å; W349-L388 HydrophobicContact CE3-CD2 4.24Å; W349-L388 HydrophobicContact CG-CD1 3.51Å; W349-L388 HydrophobicContact CH2-CD2 4.1Å; W349-L388 HydrophobicContact CZ2-CD2 3.97Å; W349-L388 HydrophobicContact CZ3-CD2 4.23Å; L356-L388 HydrophobicContact CD1-CD1 4.46Å; V384-L388 HydrophobicContact CG1-CD1 3.64Å; V384-L388 HydrophobicContact CG1-CG 4.3Å; V384-L388 WeakPolarHBondContact O-CB 3.24Å; V384-L388 WeakPolarHBondContact O-CG 3.45Å; V384-L388 PolarHBondContact O-N 2.91Å
389	K	98.4	Very high	96.4	Very high	124 Å²	124	45.1 Å²	45.1	54%	0.539	24%	0.235	S	C	.	.			trans	46	58	-177.9	-58.8	179.3	-178.6	175.4	0	112.8	V385 R386 F414	V385-K389 VanDerWaalsContact O-CA 3.3Å; V385-K389 WeakPolarHBondContact O-CA 3.4Å; V385-K389 PolarHBondContact O-N 3.36Å; R386-K389 WeakPolarHBondContact O-CG 3.38Å; K389-F414 HydrophobicContact CB-CB 4.44Å; K389-F414 HydrophobicContact CB-CD2 3.91Å; K389-F414 HydrophobicContact CB-CE2 4.36Å; K389-F414 HydrophobicContact CB-CG 4.09Å; K389-F414 HydrophobicContact CD-CD1 4.39Å; K389-F414 HydrophobicContact CG-CD1 4.28Å; K389-F414 HydrophobicContact CG-CD2 4.06Å; K389-F414 HydrophobicContact CG-CE1 4.33Å; K389-F414 HydrophobicContact CG-CE2 4.09Å; K389-F414 HydrophobicContact CG-CG 4.16Å; K389-F414 HydrophobicContact CG-CZ 4.24Å
390	P	98.4	Very high	96.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.222	C	C	.	.			trans	-65.4	155.2	-175.5	29.5	-34.7	0	0	0	111.7	T313 V315 V385 M411 N415	T313-P390 WeakPolarHBondContact O-CA 3.26Å; T313-P390 WeakPolarHBondContact O-CB 3.49Å; V315-P390 HydrophobicContact CB-CB 4.03Å; V315-P390 HydrophobicContact CB-CG 3.97Å; V315-P390 HydrophobicContact CG2-CB 3.64Å; V315-P390 HydrophobicContact CG2-CG 3.7Å; V385-P390 VanDerWaalsContact O-CD 3.31Å; V385-P390 WeakPolarHBondContact O-CD 3.32Å; P390-M411 HydrophobicContact CG-CE 4.4Å; P390-M411 HydrophobicContact CG-SD 3.73Å; P390-M411 WeakPolarHBondContact O-CE 3.29Å; P390-N415 PolarHBondContact O-ND2 3.31Å
391	T	98.6	Very high	96.7	Very high	30 Å²	30	37.4 Å²	37.4	18%	0.184	22%	0.221	C	C	.	.	S	Bend	trans	-91	-22.2	173.5	60.2	0	0	0	0	111.9	H312 T313 N415 I419	H312-T391 WeakPolarHBondContact CA-OG1 3.48Å; H312-T391 WeakPolarHBondContact CB-OG1 3.46Å; H312-T391 VanDerWaalsContact CG-OG1 3.28Å; H312-T391 WeakPolarHBondContact ND1-CB 3.3Å; H312-T391 PolarHBondContact ND1-OG1 2.67Å; T313-T391 PolarHBondContact N-OG1 3.4Å; T313-T391 VanDerWaalsContact N-OG1 3.11Å; T313-T391 PolarHBondContact O-N 2.98Å; T313-T391 PolarHBondContact O-OG1 2.98Å; T391-N415 WeakPolarHBondContact CA-OD1 3.44Å; T391-N415 WeakPolarHBondContact CG2-OD1 3.39Å; T391-I419 PolarHBondContact O-N 2.85Å; T391-I419 VanDerWaalsContact O-N 3.17Å
392	A	98.8	Very high	96.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	137	172.8	0	0	0	0	0	111.5	T313 I314 V315 I419	T313-A392 PolarHBondContact O-N 3.15Å; I314-A392 WeakPolarHBondContact CA-O 3.32Å; I314-A392 HydrophobicContact CG1-CB 4.19Å; I314-A392 HydrophobicContact CG2-CB 4.32Å; V315-A392 PolarHBondContact N-O 3.07Å; A392-I419 WeakPolarHBondContact CA-O 3.33Å; A392-I419 HydrophobicContact CB-CB 3.76Å; A392-I419 HydrophobicContact CB-CD1 4.37Å; A392-I419 HydrophobicContact CB-CG2 4.05Å
393	I	98.8	Very high	96.8	Very high	1 Å²	1	35 Å²	35	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	130.3	171.1	-164.7	176	0	0	0	109.8	V315 L381 V385 F403 I407 M411 I419 I420 F421	V315-I393 WeakPolarHBondContact O-CA 3.35Å; L381-I393 HydrophobicContact CD2-CD1 4.4Å; V385-I393 HydrophobicContact CG2-CD1 3.81Å; I393-F403 HydrophobicContact CB-CZ 4.4Å; I393-F403 HydrophobicContact CD1-CD1 3.82Å; I393-F403 HydrophobicContact CD1-CE1 3.5Å; I393-F403 HydrophobicContact CD1-CZ 3.93Å; I393-F403 HydrophobicContact CG1-CD1 4.48Å; I393-F403 HydrophobicContact CG1-CE1 3.74Å; I393-F403 HydrophobicContact CG1-CE2 4.41Å; I393-F403 HydrophobicContact CG1-CZ 3.68Å; I393-F403 HydrophobicContact CG2-CD2 4.4Å; I393-F403 HydrophobicContact CG2-CE2 3.99Å; I393-F403 HydrophobicContact CG2-CZ 4.12Å; I393-I407 HydrophobicContact CD1-CG2 3.77Å; I393-M411 HydrophobicContact CB-CE 4.09Å; I393-M411 HydrophobicContact CB-SD 4.32Å; I393-M411 HydrophobicContact CG2-CE 4.04Å; I393-M411 HydrophobicContact CG2-CG 4.3Å; I393-M411 HydrophobicContact CG2-SD 4.4Å; I393-I419 PolarHBondContact N-O 3.11Å; I393-I420 HydrophobicContact CG2-CB 4.26Å; I393-I420 HydrophobicContact CG2-CG1 4.05Å; I393-I420 HydrophobicContact CG2-CG2 4.09Å; I393-F421 PolarHBondContact O-N 2.82Å
394	I	98.7	Very high	96.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	121.4	-174.6	-54.3	178	0	0	0	109.8	L298 I314 V315 F316 Q317 I326 I330 V396 F421 L423	L298-I394 HydrophobicContact CD1-CD1 4.17Å; I314-I394 HydrophobicContact CG2-CD1 3.74Å; I314-I394 HydrophobicContact CG2-CG1 4.18Å; V315-I394 PolarHBondContact O-N 3.05Å; F316-I394 CarbonylContact C-O 3.58Å; F316-I394 VanDerWaalsContact CA-O 3.29Å; F316-I394 WeakPolarHBondContact CA-O 3.42Å; F316-I394 HydrophobicContact CD1-CB 3.77Å; F316-I394 HydrophobicContact CD1-CG2 3.89Å; F316-I394 HydrophobicContact CE1-CB 3.8Å; F316-I394 HydrophobicContact CE1-CD1 3.76Å; F316-I394 HydrophobicContact CE1-CG1 4.34Å; F316-I394 HydrophobicContact CE1-CG2 3.74Å; F316-I394 HydrophobicContact CG-CB 4.48Å; F316-I394 HydrophobicContact CZ-CD1 3.75Å; Q317-I394 PolarHBondContact N-O 2.86Å; I326-I394 HydrophobicContact CD1-CG2 4.42Å; I326-I394 HydrophobicContact CG2-CD1 4.41Å; I330-I394 HydrophobicContact CD1-CD1 4.39Å; I394-V396 HydrophobicContact CG2-CG1 4.36Å; I394-F421 CarbonylContact C-O 3.6Å; I394-F421 HydrophobicContact CB-CB 4.42Å; I394-F421 HydrophobicContact CG1-CB 4.2Å; I394-F421 HydrophobicContact CG1-CD2 4.45Å; I394-F421 HydrophobicContact CG2-CB 4.17Å; I394-L423 HydrophobicContact CG2-CD1 3.8Å; I394-L423 HydrophobicContact CG2-CG 4.37Å
395	G	97.9	Very high	96.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	122.7	-177.5	0	0	0	0	0	111.6	F421 L423 E431	G395-F421 PolarHBondContact N-O 3.32Å; G395-L423 WeakPolarHBondContact O-CA 3.21Å; G395-L423 VanDerWaalsContact O-CB 3.28Å; G395-L423 WeakPolarHBondContact O-CB 3.43Å; G395-L423 PolarHBondContact O-N 2.82Å; G395-E431 VanDerWaalsContact C-CD 3.43Å; G395-E431 VanDerWaalsContact CA-OE1 3.28Å; G395-E431 WeakPolarHBondContact CA-OE1 3.19Å
396	V	95	Very high	96.9	Very high	31 Å²	31	44.2 Å²	44.2	19%	0.188	25%	0.253	C	S	.	.			trans	-145.1	28.4	-179.6	-71	0	0	0	0	111.3	F316 Q317 A322 A323 I326 I394 L423 E431	F316-V396 HydrophobicContact CD1-CG2 4.41Å; Q317-V396 PolarHBondContact O-N 3.19Å; A322-V396 HydrophobicContact CB-CB 4.08Å; A322-V396 HydrophobicContact CB-CG1 3.97Å; A323-V396 HydrophobicContact CB-CG2 3.74Å; I326-V396 HydrophobicContact CD1-CG1 4.09Å; I394-V396 HydrophobicContact CG2-CG1 4.36Å; V396-L423 HydrophobicContact CG1-CB 3.92Å; V396-L423 HydrophobicContact CG1-CD1 4.19Å; V396-E431 PolarHBondContact N-OE1 3.09Å; V396-E431 VanDerWaalsContact N-OE1 3.16Å
397	A	92	Very high	96.9	Very high	40 Å²	40	40.1 Å²	40.1	33%	0.331	24%	0.238	S	C	.	.	S	Bend	trans	-103.6	-5.8	-171.9	0	0	0	0	0	114.5	Q317 V399 S424 E431	Q317-A397 HydrophobicContact CG-CB 4.07Å; Q317-A397 WeakPolarHBondContact O-CB 3.47Å; Q317-A397 PolarHBondContact O-N 2.79Å; A397-V399 HydrophobicContact CB-CG2 3.95Å; A397-V399 PolarHBondContact O-N 3.31Å; A397-S424 PolarHBondContact N-OG 2.92Å; A397-E431 PolarHBondContact N-OE1 3.31Å
398	A	90.9	Very high	96.9	Very high	45 Å²	45	35.8 Å²	35.8	37%	0.372	22%	0.215	S	C	.	.			trans	54.8	37.7	-170.5	0	0	0	0	0	113.6	S424 K429	A398-S424 VanDerWaalsContact CA-OG 3.31Å; A398-S424 WeakPolarHBondContact CA-OG 3.47Å; A398-S424 PolarHBondContact N-OG 3.14Å; A398-K429 HydrophobicContact CB-CB 4.3Å
399	V	92.8	Very high	97	Very high	74 Å²	74	39.4 Å²	39.4	45%	0.448	23%	0.226	S	C	.	.			trans	-110.5	102.8	176.5	-175.9	0	0	0	0	108.6	A397 A402	A397-V399 HydrophobicContact CB-CG2 3.95Å; A397-V399 PolarHBondContact O-N 3.31Å; V399-A402 HydrophobicContact CB-CB 4.14Å; V399-A402 HydrophobicContact CG1-CB 4.04Å; V399-A402 VanDerWaalsContact O-CB 3.27Å; V399-A402 WeakPolarHBondContact O-CB 3.24Å; V399-A402 PolarHBondContact O-N 2.88Å
400	A	94.8	Very high	97	Very high	58 Å²	58	34.9 Å²	34.9	48%	0.479	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	135.8	-178.8	0	0	0	0	0	111.9	A402 S428 A430	A400-A402 PolarHBondContact O-N 3.5Å; A400-S428 VanDerWaalsContact CB-O 3.27Å; A400-S428 WeakPolarHBondContact CB-O 3.44Å; A400-A430 WeakPolarHBondContact CA-O 3.43Å
401	G	95.8	Very high	97	Very high	48 Å²	48	34.9 Å²	34.9	50%	0.495	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.2	17.4	175.6	0	0	0	0	0	114.4	F403 A430 E431	G401-F403 VanDerWaalsContact C-N 3.26Å; G401-F403 PolarHBondContact O-N 3.06Å; G401-A430 PolarHBondContact N-O 3.03Å; G401-A430 VanDerWaalsContact N-O 3.13Å; G401-E431 CarbonylContact C-O 3.57Å; G401-E431 WeakPolarHBondContact CA-O 3.19Å; G401-E431 PolarHBondContact N-O 3.17Å
402	A	96.9	Very high	97	Very high	21 Å²	21	34 Å²	34	17%	0.174	20%	0.204	C	C	.	.			trans	-67.3	-25.2	-179.5	0	0	0	0	0	113.9	V399 A400 S404 I407 E431	V399-A402 HydrophobicContact CB-CB 4.14Å; V399-A402 HydrophobicContact CG1-CB 4.04Å; V399-A402 VanDerWaalsContact O-CB 3.27Å; V399-A402 WeakPolarHBondContact O-CB 3.24Å; V399-A402 PolarHBondContact O-N 2.88Å; A400-A402 PolarHBondContact O-N 3.5Å; A402-S404 VanDerWaalsContact C-N 3.34Å; A402-S404 PolarHBondContact O-N 3.43Å; A402-I407 WeakPolarHBondContact O-CD1 3.4Å; A402-E431 HydrophobicContact CB-CB 4.48Å; A402-E431 HydrophobicContact CB-CG 4.3Å; A402-E431 PolarHBondContact N-O 3.25Å
403	F	98.3	Very high	97	Very high	3 Å²	3	37.9 Å²	37.9	1%	0.013	23%	0.231	C	C	.	.	S	Bend	trans	-87.7	80.3	169.5	-63.4	-8.1	0	0	0	108.3	Q317 L381 I393 G401 I408 I420 F421 E431 C432	Q317-F403 HydrophobicContact CB-CE1 4.04Å; L381-F403 HydrophobicContact CD2-CD1 4.07Å; L381-F403 HydrophobicContact CD2-CE1 4.09Å; I393-F403 HydrophobicContact CB-CZ 4.4Å; I393-F403 HydrophobicContact CD1-CD1 3.82Å; I393-F403 HydrophobicContact CD1-CE1 3.5Å; I393-F403 HydrophobicContact CD1-CZ 3.93Å; I393-F403 HydrophobicContact CG1-CD1 4.48Å; I393-F403 HydrophobicContact CG1-CE1 3.74Å; I393-F403 HydrophobicContact CG1-CE2 4.41Å; I393-F403 HydrophobicContact CG1-CZ 3.68Å; I393-F403 HydrophobicContact CG2-CD2 4.4Å; I393-F403 HydrophobicContact CG2-CE2 3.99Å; I393-F403 HydrophobicContact CG2-CZ 4.12Å; G401-F403 VanDerWaalsContact C-N 3.26Å; G401-F403 PolarHBondContact O-N 3.06Å; F403-I408 HydrophobicContact CB-CD1 4.34Å; F403-I408 HydrophobicContact CB-CG1 4.2Å; F403-I408 VanDerWaalsContact O-CD1 3.32Å; F403-I408 WeakPolarHBondContact O-CD1 3.4Å; F403-I420 HydrophobicContact CD2-CG2 3.75Å; F403-I420 HydrophobicContact CE2-CG2 4.02Å; F403-F421 WeakPolarHBondContact CE2-O 3.22Å; F403-E431 HydrophobicContact CB-CB 4.26Å; F403-E431 HydrophobicContact CD1-CB 3.85Å; F403-E431 HydrophobicContact CD1-CG 4.3Å; F403-E431 HydrophobicContact CD2-CB 3.55Å; F403-E431 HydrophobicContact CD2-CG 4.5Å; F403-E431 HydrophobicContact CE1-CB 4Å; F403-E431 HydrophobicContact CE1-CG 4.04Å; F403-E431 HydrophobicContact CE2-CB 3.74Å; F403-E431 HydrophobicContact CE2-CG 4.27Å; F403-E431 HydrophobicContact CG-CB 3.62Å; F403-E431 HydrophobicContact CZ-CB 3.96Å; F403-E431 HydrophobicContact CZ-CG 4.03Å; F403-E431 PolarHBondContact N-O 2.79Å; F403-C432 HydrophobicContact CB-CB 3.96Å
404	S	98.1	Very high	96.9	Very high	33 Å²	33	41 Å²	41	23%	0.231	25%	0.245	C	C	.	.			trans	-59.4	159.1	178.8	70.2	0	0	0	0	111.4	E382 A402 R406 I407 I408	E382-S404 PolarHBondContact OE1-OG 2.69Å; A402-S404 VanDerWaalsContact C-N 3.34Å; A402-S404 PolarHBondContact O-N 3.43Å; S404-R406 PolarHBondContact O-N 2.71Å; S404-R406 VanDerWaalsContact O-N 3.09Å; S404-I407 PolarHBondContact O-N 2.99Å; S404-I407 PolarHBondContact OG-N 3.04Å; S404-I408 PolarHBondContact O-N 3.33Å
405	E	98.3	Very high	96.9	Very high	93 Å²	93	42.2 Å²	42.2	44%	0.435	25%	0.251	S	S	.	.	H	α-helix	trans	-48.8	-40.1	173.3	175.9	176.4	-178.5	0	0	111.3	I408 R409 F440	E405-I408 PolarHBondContact O-N 3.43Å; E405-R409 HydrophobicContact CG-CG 4.29Å; E405-R409 WeakPolarHBondContact O-CB 3.39Å; E405-R409 VanDerWaalsContact O-CG 3.29Å; E405-R409 WeakPolarHBondContact O-CG 3.32Å; E405-R409 PolarHBondContact O-N 2.94Å; E405-R409 IonicContact OE1-CZ 2.76Å; E405-R409 IonicContact OE1-NE 3.33Å; E405-R409 PolarHBondContact OE1-NE 2.75Å; E405-R409 IonicContact OE1-NH2 2.67Å; E405-R409 PolarHBondContact OE1-NH2 3.29Å; E405-F440 HydrophobicContact CB-CD2 3.94Å; E405-F440 HydrophobicContact CB-CE2 3.67Å; E405-F440 HydrophobicContact CB-CG 4.5Å; E405-F440 HydrophobicContact CB-CZ 4.02Å; E405-F440 HydrophobicContact CG-CD1 3.97Å; E405-F440 HydrophobicContact CG-CD2 3.85Å; E405-F440 HydrophobicContact CG-CE1 3.99Å; E405-F440 HydrophobicContact CG-CE2 3.87Å; E405-F440 HydrophobicContact CG-CG 3.91Å; E405-F440 HydrophobicContact CG-CZ 3.94Å
406	R	98.2	Very high	96.9	Very high	117 Å²	117	50 Å²	50	44%	0.442	29%	0.287	S	S	.	.	H	α-helix	trans	-61.7	-47.9	177.6	-168.2	-172.2	-171.4	172	10.5	112.3	E382 R386 S404 I408 R409 D410	E382-R406 VanDerWaalsContact OE2-CD 3.25Å; E382-R406 WeakPolarHBondContact OE2-CD 3.29Å; E382-R406 IonicContact OE2-CZ 3.36Å; E382-R406 IonicContact OE2-NE 3.03Å; E382-R406 IonicContact OE2-NH1 2.57Å; E382-R406 PolarHBondContact OE2-NH1 3.2Å; R386-R406 VanDerWaalsContact NH1-NH2 3.13Å; S404-R406 PolarHBondContact O-N 2.71Å; S404-R406 VanDerWaalsContact O-N 3.09Å; R406-I408 VanDerWaalsContact C-N 3.32Å; R406-I408 PolarHBondContact O-N 3.44Å; R406-R409 PolarHBondContact O-N 2.93Å; R406-D410 VanDerWaalsContact O-CB 3.3Å; R406-D410 WeakPolarHBondContact O-CB 3.49Å; R406-D410 PolarHBondContact O-N 3.07Å
407	I	98.6	Very high	97.1	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.01	29%	0.294	C	S	.	.	H	α-helix	trans	-59.1	-46.2	176.9	-70.1	176.6	0	0	0	110.6	L381 E382 V385 I393 A402 S404 R409 D410 M411	L381-I407 HydrophobicContact CB-CD1 4.27Å; L381-I407 HydrophobicContact CD2-CD1 3.8Å; L381-I407 HydrophobicContact CG-CD1 3.88Å; E382-I407 HydrophobicContact CB-CG1 4.46Å; E382-I407 HydrophobicContact CG-CD1 3.81Å; E382-I407 HydrophobicContact CG-CG1 3.67Å; V385-I407 HydrophobicContact CG1-CG2 4.39Å; V385-I407 HydrophobicContact CG2-CG2 4.22Å; I393-I407 HydrophobicContact CD1-CG2 3.77Å; A402-I407 WeakPolarHBondContact O-CD1 3.4Å; S404-I407 PolarHBondContact O-N 2.99Å; S404-I407 PolarHBondContact OG-N 3.04Å; I407-R409 PolarHBondContact O-N 3.46Å; I407-D410 PolarHBondContact O-N 3.35Å; I407-M411 HydrophobicContact CG2-CG 4.41Å; I407-M411 WeakPolarHBondContact O-CB 3.42Å; I407-M411 VanDerWaalsContact O-CG 3.27Å; I407-M411 WeakPolarHBondContact O-CG 3.38Å; I407-M411 PolarHBondContact O-N 3.43Å
408	I	98.8	Very high	97.4	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-65.1	-42	-177.4	-62.8	169	0	0	0	110.6	F403 S404 E405 R406 M411 A412 I420 C432 E436 F440 T441	F403-I408 HydrophobicContact CB-CD1 4.34Å; F403-I408 HydrophobicContact CB-CG1 4.2Å; F403-I408 VanDerWaalsContact O-CD1 3.32Å; F403-I408 WeakPolarHBondContact O-CD1 3.4Å; S404-I408 PolarHBondContact O-N 3.33Å; E405-I408 PolarHBondContact O-N 3.43Å; R406-I408 VanDerWaalsContact C-N 3.32Å; R406-I408 PolarHBondContact O-N 3.44Å; I408-M411 PolarHBondContact O-N 2.67Å; I408-A412 WeakPolarHBondContact O-CB 3.16Å; I408-A412 PolarHBondContact O-N 3.42Å; I408-I420 HydrophobicContact CG1-CD1 4.47Å; I408-I420 HydrophobicContact CG2-CD1 3.9Å; I408-C432 HydrophobicContact CD1-CB 3.85Å; I408-E436 HydrophobicContact CD1-CB 4.41Å; I408-F440 HydrophobicContact CB-CB 4.21Å; I408-F440 HydrophobicContact CB-CD2 4.35Å; I408-F440 HydrophobicContact CD1-CD2 3.95Å; I408-F440 HydrophobicContact CG2-CB 3.66Å; I408-F440 HydrophobicContact CG2-CD2 4.41Å; I408-T441 HydrophobicContact CG2-CG2 3.52Å
409	R	98.7	Very high	97.8	Very high	106 Å²	106	48.7 Å²	48.7	40%	0.4	26%	0.261	S	S	.	.	H	α-helix	trans	-66.6	-40.4	174.8	-72	-175.5	-176	-70.6	0.6	112.5	E405 R406 I407 A412 S413 F440	E405-R409 HydrophobicContact CG-CG 4.29Å; E405-R409 WeakPolarHBondContact O-CB 3.39Å; E405-R409 VanDerWaalsContact O-CG 3.29Å; E405-R409 WeakPolarHBondContact O-CG 3.32Å; E405-R409 PolarHBondContact O-N 2.94Å; E405-R409 IonicContact OE1-CZ 2.76Å; E405-R409 IonicContact OE1-NE 3.33Å; E405-R409 PolarHBondContact OE1-NE 2.75Å; E405-R409 IonicContact OE1-NH2 2.67Å; E405-R409 PolarHBondContact OE1-NH2 3.29Å; R406-R409 PolarHBondContact O-N 2.93Å; I407-R409 PolarHBondContact O-N 3.46Å; R409-A412 CarbonylContact O-C 3.56Å; R409-A412 PolarHBondContact O-N 3.17Å; R409-S413 PolarHBondContact O-N 3.46Å; R409-F440 HydrophobicContact CG-CB 4.2Å
410	D	98.6	Very high	98.1	Very high	30 Å²	30	45.2 Å²	45.2	16%	0.16	24%	0.24	C	C	.	.	H	α-helix	trans	-60.2	-48.9	175.3	-77.4	-15.1	0	0	0	109.8	V385 R386 R406 I407 A412 S413 F414	V385-D410 HydrophobicContact CG1-CB 4.38Å; R386-D410 WeakPolarHBondContact CD-OD2 3.36Å; R386-D410 WeakPolarHBondContact CG-OD2 3.37Å; R406-D410 VanDerWaalsContact O-CB 3.3Å; R406-D410 WeakPolarHBondContact O-CB 3.49Å; R406-D410 PolarHBondContact O-N 3.07Å; I407-D410 PolarHBondContact O-N 3.35Å; D410-A412 VanDerWaalsContact C-N 3.3Å; D410-A412 PolarHBondContact O-N 3.21Å; D410-S413 WeakPolarHBondContact O-CB 3.34Å; D410-S413 PolarHBondContact O-N 3.25Å; D410-S413 PolarHBondContact O-OG 3.02Å; D410-F414 HydrophobicContact CB-CE2 3.8Å; D410-F414 HydrophobicContact CB-CZ 3.71Å; D410-F414 WeakPolarHBondContact O-CD1 3.39Å; D410-F414 WeakPolarHBondContact O-CD2 3.28Å; D410-F414 WeakPolarHBondContact O-CE2 3.44Å; D410-F414 WeakPolarHBondContact O-CG 3.22Å; D410-F414 PolarHBondContact O-N 3.09Å
411	M	98.7	Very high	98.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-54	-44.1	173.3	-72.7	-63.5	-67.1	0	0	112.3	V385 P390 I393 I407 I408 S413 F414 N415 P418 I420	V385-M411 HydrophobicContact CG1-CG 4.33Å; V385-M411 HydrophobicContact CG1-SD 4.07Å; P390-M411 HydrophobicContact CG-CE 4.4Å; P390-M411 HydrophobicContact CG-SD 3.73Å; P390-M411 WeakPolarHBondContact O-CE 3.29Å; I393-M411 HydrophobicContact CB-CE 4.09Å; I393-M411 HydrophobicContact CB-SD 4.32Å; I393-M411 HydrophobicContact CG2-CE 4.04Å; I393-M411 HydrophobicContact CG2-CG 4.3Å; I393-M411 HydrophobicContact CG2-SD 4.4Å; I407-M411 HydrophobicContact CG2-CG 4.41Å; I407-M411 WeakPolarHBondContact O-CB 3.42Å; I407-M411 VanDerWaalsContact O-CG 3.27Å; I407-M411 WeakPolarHBondContact O-CG 3.38Å; I407-M411 PolarHBondContact O-N 3.43Å; I408-M411 PolarHBondContact O-N 2.67Å; M411-S413 VanDerWaalsContact C-N 3.29Å; M411-S413 PolarHBondContact O-N 2.96Å; M411-F414 PolarHBondContact O-N 3.27Å; M411-N415 WeakPolarHBondContact O-CB 3.4Å; M411-N415 PolarHBondContact O-N 2.63Å; M411-N415 VanDerWaalsContact O-N 3.15Å; M411-N415 PolarHBondContact O-ND2 2.85Å; M411-P418 HydrophobicContact CB-CB 3.89Å; M411-P418 HydrophobicContact CE-CB 4.27Å; M411-I420 HydrophobicContact CB-CD1 4.45Å
412	A	98.5	Very high	98.3	Very high	11 Å²	11	40.2 Å²	40.2	9%	0.091	19%	0.194	C	C	.	.	H	α-helix	trans	-70.4	-20.8	177.5	0	0	0	0	0	114.5	I408 R409 D410 P418 T441	I408-A412 WeakPolarHBondContact O-CB 3.16Å; I408-A412 PolarHBondContact O-N 3.42Å; R409-A412 CarbonylContact O-C 3.56Å; R409-A412 PolarHBondContact O-N 3.17Å; D410-A412 VanDerWaalsContact C-N 3.3Å; D410-A412 PolarHBondContact O-N 3.21Å; A412-P418 HydrophobicContact CB-CG 4.34Å; A412-T441 HydrophobicContact CB-CG2 4.08Å
413	S	98.5	Very high	98.3	Very high	82 Å²	82	40 Å²	40	57%	0.573	19%	0.189	S	C	*	.	H	α-helix	trans	-84.1	-29.6	176	79.8	0	0	0	0	112.4	R409 D410 M411	R409-S413 PolarHBondContact O-N 3.46Å; D410-S413 WeakPolarHBondContact O-CB 3.34Å; D410-S413 PolarHBondContact O-N 3.25Å; D410-S413 PolarHBondContact O-OG 3.02Å; M411-S413 VanDerWaalsContact C-N 3.29Å; M411-S413 PolarHBondContact O-N 2.96Å
414	F	98	Very high	97.9	Very high	66 Å²	66	40.1 Å²	40.1	29%	0.289	19%	0.191	S	C	.	.	H	α-helix	trans	-84.8	-27.5	179.6	-50.1	-28.9	0	0	0	112.5	V385 R386 K389 D410 M411	V385-F414 HydrophobicContact CG1-CE2 4.11Å; V385-F414 WeakPolarHBondContact O-CE2 3.39Å; R386-F414 HydrophobicContact CG-CZ 4.41Å; K389-F414 HydrophobicContact CB-CB 4.44Å; K389-F414 HydrophobicContact CB-CD2 3.91Å; K389-F414 HydrophobicContact CB-CE2 4.36Å; K389-F414 HydrophobicContact CB-CG 4.09Å; K389-F414 HydrophobicContact CD-CD1 4.39Å; K389-F414 HydrophobicContact CG-CD1 4.28Å; K389-F414 HydrophobicContact CG-CD2 4.06Å; K389-F414 HydrophobicContact CG-CE1 4.33Å; K389-F414 HydrophobicContact CG-CE2 4.09Å; K389-F414 HydrophobicContact CG-CG 4.16Å; K389-F414 HydrophobicContact CG-CZ 4.24Å; D410-F414 HydrophobicContact CB-CE2 3.8Å; D410-F414 HydrophobicContact CB-CZ 3.71Å; D410-F414 WeakPolarHBondContact O-CD1 3.39Å; D410-F414 WeakPolarHBondContact O-CD2 3.28Å; D410-F414 WeakPolarHBondContact O-CE2 3.44Å; D410-F414 WeakPolarHBondContact O-CG 3.22Å; D410-F414 PolarHBondContact O-N 3.09Å; M411-F414 PolarHBondContact O-N 3.27Å
415	N	98.4	Very high	97.2	Very high	25 Å²	25	40.3 Å²	40.3	13%	0.134	19%	0.19	C	C	.	.			trans	-130.6	137.5	-169.3	-53.5	-76.3	0	0	0	111	P390 T391 M411 R417 P418	P390-N415 PolarHBondContact O-ND2 3.31Å; T391-N415 WeakPolarHBondContact CA-OD1 3.44Å; T391-N415 WeakPolarHBondContact CG2-OD1 3.39Å; M411-N415 WeakPolarHBondContact O-CB 3.4Å; M411-N415 PolarHBondContact O-N 2.63Å; M411-N415 VanDerWaalsContact O-N 3.15Å; M411-N415 PolarHBondContact O-ND2 2.85Å; N415-R417 VanDerWaalsContact C-N 3.3Å; N415-R417 PolarHBondContact O-N 3.1Å; N415-P418 HydrophobicContact CB-CB 4.08Å
416	E	97.9	Very high	96.5	Very high	164 Å²	164	37.8 Å²	37.8	77%	0.766	18%	0.181	S	C	*	.	S	Bend	trans	-61.5	-41.6	172.7	-172.9	-176.6	164.1	0	0	111.4	R444	E416-R444 WeakPolarHBondContact O-CB 3.41Å; E416-R444 WeakPolarHBondContact O-CD 3.28Å
417	R	98.1	Very high	95.8	Very high	87 Å²	87	35.3 Å²	35.3	33%	0.328	18%	0.179	S	C	.	.	S	Bend	trans	-132	80.8	179.7	-58.8	-61.3	-64	-98.6	0.6	109.4	T305 N415 R444 I446	T305-R417 HydrophobicContact CG2-CB 4.15Å; N415-R417 VanDerWaalsContact C-N 3.3Å; N415-R417 PolarHBondContact O-N 3.1Å; R417-R444 WeakPolarHBondContact CD-O 3.02Å; R417-R444 PolarHBondContact NE-O 3.04Å; R417-I446 HydrophobicContact CB-CD1 3.84Å; R417-I446 HydrophobicContact CB-CG1 4.34Å
418	P	98.6	Very high	95.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.207	C	C	.	.			trans	-67.6	135.4	-176.8	27.4	-33.7	0	0	0	111.2	M411 A412 N415 I420 T441 I446	M411-P418 HydrophobicContact CB-CB 3.89Å; M411-P418 HydrophobicContact CE-CB 4.27Å; A412-P418 HydrophobicContact CB-CG 4.34Å; N415-P418 HydrophobicContact CB-CB 4.08Å; P418-I420 HydrophobicContact CB-CD1 4.49Å; P418-I420 HydrophobicContact CB-CG1 4.41Å; P418-T441 HydrophobicContact CG-CG2 4.05Å; P418-I446 PolarHBondContact O-N 3.43Å
419	I	98.8	Very high	94.7	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	122.6	174.9	-58.4	169.9	0	0	0	108.7	L298 A301 T305 T391 A392 I393 F421 I446	L298-I419 HydrophobicContact CD2-CD1 4.44Å; L298-I419 HydrophobicContact CD2-CG2 3.9Å; A301-I419 HydrophobicContact CB-CD1 3.91Å; A301-I419 HydrophobicContact CB-CG1 4.19Å; T305-I419 HydrophobicContact CG2-CD1 4.44Å; T391-I419 PolarHBondContact O-N 2.85Å; T391-I419 VanDerWaalsContact O-N 3.17Å; A392-I419 WeakPolarHBondContact CA-O 3.33Å; A392-I419 HydrophobicContact CB-CB 3.76Å; A392-I419 HydrophobicContact CB-CD1 4.37Å; A392-I419 HydrophobicContact CB-CG2 4.05Å; I393-I419 PolarHBondContact N-O 3.11Å; I419-F421 HydrophobicContact CG2-CD1 3.77Å; I419-F421 HydrophobicContact CG2-CE1 3.47Å; I419-F421 VanDerWaalsContact CG2-CE1 3.47Å; I419-F421 HydrophobicContact CG2-CZ 4.01Å; I419-I446 HydrophobicContact CG1-CB 4.31Å; I419-I446 HydrophobicContact CG1-CD1 4.16Å
420	I	98.8	Very high	94.4	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	104.4	-174.5	-56.5	-179.1	0	0	0	109	I393 F403 I408 M411 P418 T441 I446 F447 A448	I393-I420 HydrophobicContact CG2-CB 4.26Å; I393-I420 HydrophobicContact CG2-CG1 4.05Å; I393-I420 HydrophobicContact CG2-CG2 4.09Å; F403-I420 HydrophobicContact CD2-CG2 3.75Å; F403-I420 HydrophobicContact CE2-CG2 4.02Å; I408-I420 HydrophobicContact CG1-CD1 4.47Å; I408-I420 HydrophobicContact CG2-CD1 3.9Å; M411-I420 HydrophobicContact CB-CD1 4.45Å; P418-I420 HydrophobicContact CB-CD1 4.49Å; P418-I420 HydrophobicContact CB-CG1 4.41Å; I420-T441 HydrophobicContact CD1-CG2 4.02Å; I420-I446 PolarHBondContact N-O 3.2Å; I420-F447 HydrophobicContact CB-CD2 4.49Å; I420-F447 HydrophobicContact CG2-CD2 4.3Å; I420-F447 WeakPolarHBondContact O-CA 3.32Å; I420-F447 WeakPolarHBondContact O-CD2 3.36Å; I420-A448 PolarHBondContact O-N 3.44Å
421	F	98.6	Very high	94.4	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	114	-178.6	-75.6	11.2	0	0	0	110.6	L298 I393 I394 G395 F403 I419 L423 A448 L516	L298-F421 HydrophobicContact CD2-CD2 4.44Å; L298-F421 HydrophobicContact CD2-CE2 3.81Å; L298-F421 HydrophobicContact CD2-CZ 3.98Å; L298-F421 HydrophobicContact CG-CE2 3.8Å; L298-F421 HydrophobicContact CG-CZ 4.26Å; I393-F421 PolarHBondContact O-N 2.82Å; I394-F421 CarbonylContact C-O 3.6Å; I394-F421 HydrophobicContact CB-CB 4.42Å; I394-F421 HydrophobicContact CG1-CB 4.2Å; I394-F421 HydrophobicContact CG1-CD2 4.45Å; I394-F421 HydrophobicContact CG2-CB 4.17Å; G395-F421 PolarHBondContact N-O 3.32Å; F403-F421 WeakPolarHBondContact CE2-O 3.22Å; I419-F421 HydrophobicContact CG2-CD1 3.77Å; I419-F421 HydrophobicContact CG2-CE1 3.47Å; I419-F421 VanDerWaalsContact CG2-CE1 3.47Å; I419-F421 HydrophobicContact CG2-CZ 4.01Å; F421-L423 HydrophobicContact CB-CD1 4.39Å; F421-L423 HydrophobicContact CB-CD2 4.04Å; F421-L423 HydrophobicContact CB-CG 4Å; F421-L423 HydrophobicContact CD2-CD1 4.44Å; F421-L423 HydrophobicContact CD2-CD2 4.47Å; F421-L423 HydrophobicContact CG-CD2 4.48Å; F421-A448 CarbonylContact C-O 3.53Å; F421-A448 WeakPolarHBondContact CA-O 3.05Å; F421-A448 HydrophobicContact CD1-CB 3.78Å; F421-A448 HydrophobicContact CE1-CB 3.79Å; F421-A448 HydrophobicContact CG-CB 4.28Å; F421-A448 HydrophobicContact CZ-CB 4.26Å; F421-L516 HydrophobicContact CE1-CD1 3.38Å; F421-L516 HydrophobicContact CZ-CD1 3.65Å
422	A	97.6	Very high	94.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	76.8	177.8	0	0	0	0	0	110.5	E431 F447 A448 S449 G450	A422-E431 WeakPolarHBondContact CA-OE2 3.45Å; A422-E431 HydrophobicContact CB-CB 4.13Å; A422-F447 HydrophobicContact CB-CE2 3.92Å; A422-F447 HydrophobicContact CB-CZ 4.08Å; A422-A448 PolarHBondContact N-O 3.12Å; A422-S449 CarbonylContact O-C 3.29Å; A422-S449 WeakPolarHBondContact O-CA 3.39Å; A422-S449 WeakPolarHBondContact O-CB 3.48Å; A422-G450 PolarHBondContact O-N 2.92Å
423	L	95.7	Very high	94.3	Very high	16 Å²	16	39 Å²	39	8%	0.084	21%	0.211	C	C	.	.			trans	-88	-2.7	-165.2	-53	-178.3	0	0	0	114.2	A294 I326 I394 G395 V396 F421 N425 E431	A294-L423 HydrophobicContact CB-CD1 4.03Å; I326-L423 HydrophobicContact CD1-CD1 4.16Å; I394-L423 HydrophobicContact CG2-CD1 3.8Å; I394-L423 HydrophobicContact CG2-CG 4.37Å; G395-L423 WeakPolarHBondContact O-CA 3.21Å; G395-L423 VanDerWaalsContact O-CB 3.28Å; G395-L423 WeakPolarHBondContact O-CB 3.43Å; G395-L423 PolarHBondContact O-N 2.82Å; V396-L423 HydrophobicContact CG1-CB 3.92Å; V396-L423 HydrophobicContact CG1-CD1 4.19Å; F421-L423 HydrophobicContact CB-CD1 4.39Å; F421-L423 HydrophobicContact CB-CD2 4.04Å; F421-L423 HydrophobicContact CB-CG 4Å; F421-L423 HydrophobicContact CD2-CD1 4.44Å; F421-L423 HydrophobicContact CD2-CD2 4.47Å; F421-L423 HydrophobicContact CG-CD2 4.48Å; L423-N425 PolarHBondContact O-ND2 3.14Å; L423-E431 PolarHBondContact N-OE2 3.11Å
424	S	90.4	Very high	94.3	Very high	7 Å²	7	35.1 Å²	35.1	5%	0.049	18%	0.184	C	C	.	.			trans	-67.7	139.8	178.3	-73.8	0	0	0	0	113.1	A397 A398 K429 E431	A397-S424 PolarHBondContact N-OG 2.92Å; A398-S424 VanDerWaalsContact CA-OG 3.31Å; A398-S424 WeakPolarHBondContact CA-OG 3.47Å; A398-S424 PolarHBondContact N-OG 3.14Å; S424-K429 WeakPolarHBondContact CB-O 3.42Å; S424-E431 VanDerWaalsContact CB-OE1 3.27Å; S424-E431 WeakPolarHBondContact CB-OE1 3.47Å; S424-E431 PolarHBondContact N-OE2 3.37Å; S424-E431 PolarHBondContact OG-OE1 3.17Å
425	N	84.1	Confident	94.2	Very high	37 Å²	37	36.5 Å²	36.5	20%	0.198	19%	0.192	C	C	.	.	S	Bend	trans	-117.3	151	179.5	-69	-62.5	0	0	0	111.4	L174 L423 G450 S451	L174-N425 HydrophobicContact CD2-CB 3.78Å; L174-N425 HydrophobicContact CG-CB 4.18Å; L423-N425 PolarHBondContact O-ND2 3.14Å; N425-G450 PolarHBondContact OD1-O 3.13Å; N425-S451 PolarHBondContact OD1-N 3.27Å; N425-S451 VanDerWaalsContact OD1-N 3.12Å; N425-S451 PolarHBondContact OD1-OG 3.29Å
426	P	83	Confident	94.2	Very high	40 Å²	40	39 Å²	39	26%	0.26	20%	0.202	S	C	.	.	S	Bend	cis	-73.7	-172.1	-11.3	33.3	-37.5	0	0	0	112.2	P121 S428 K429 S451	P121-P426 HydrophobicContact CB-CB 4.48Å; P426-S428 PolarHBondContact O-N 3.46Å; P426-K429 WeakPolarHBondContact O-CA 3.48Å; P426-K429 WeakPolarHBondContact O-CB 3.39Å; P426-K429 PolarHBondContact O-N 2.9Å; P426-S451 VanDerWaalsContact C-OG 3.24Å; P426-S451 WeakPolarHBondContact CA-OG 3.2Å
427	T	83.4	Confident	94.2	Very high	64 Å²	64	31.1 Å²	31.1	39%	0.393	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-49	-35.7	-179.8	-47.7	0	0	0	0	113.6	K429 A430 S451 F453	T427-K429 PolarHBondContact O-N 3.41Å; T427-A430 WeakPolarHBondContact O-CB 3.31Å; T427-A430 PolarHBondContact O-N 3.37Å; T427-A430 VanDerWaalsContact O-N 3.11Å; T427-S451 PolarHBondContact N-OG 2.61Å; T427-S451 VanDerWaalsContact N-OG 3.07Å; T427-S451 VanDerWaalsContact OG1-CB 3.25Å; T427-S451 WeakPolarHBondContact OG1-CB 2.98Å; T427-F453 HydrophobicContact CG2-CD1 4.27Å; T427-F453 HydrophobicContact CG2-CE1 3.51Å; T427-F453 HydrophobicContact CG2-CZ 3.67Å
428	S	83.4	Confident	94.3	Very high	86 Å²	86	27.1 Å²	27.1	60%	0.601	15%	0.15	S	C	*	.	G	3₁₀ helix	trans	-67	-5.4	177.1	63.2	0	0	0	0	114.6	A400 P426	A400-S428 VanDerWaalsContact CB-O 3.27Å; A400-S428 WeakPolarHBondContact CB-O 3.44Å; P426-S428 PolarHBondContact O-N 3.46Å
429	K	90.4	Very high	94.2	Very high	81 Å²	81	30 Å²	30	35%	0.352	17%	0.168	S	C	.	.	G	3₁₀ helix	trans	-114.7	0	176.8	-60.5	-59.7	-173.4	178	0	113.2	A398 S424 P426 T427	A398-K429 HydrophobicContact CB-CB 4.3Å; S424-K429 WeakPolarHBondContact CB-O 3.42Å; P426-K429 WeakPolarHBondContact O-CA 3.48Å; P426-K429 WeakPolarHBondContact O-CB 3.39Å; P426-K429 PolarHBondContact O-N 2.9Å; T427-K429 PolarHBondContact O-N 3.41Å
430	A	93.4	Very high	94.2	Very high	8 Å²	8	31.7 Å²	31.7	7%	0.066	18%	0.175	C	C	.	.			trans	-60.9	139.4	177.9	0	0	0	0	0	111.1	A400 G401 T427 C432 F453	A400-A430 WeakPolarHBondContact CA-O 3.43Å; G401-A430 PolarHBondContact N-O 3.03Å; G401-A430 VanDerWaalsContact N-O 3.13Å; T427-A430 WeakPolarHBondContact O-CB 3.31Å; T427-A430 PolarHBondContact O-N 3.37Å; T427-A430 VanDerWaalsContact O-N 3.11Å; A430-C432 VanDerWaalsContact C-N 3.27Å; A430-C432 PolarHBondContact O-N 3.09Å; A430-F453 HydrophobicContact CB-CE2 4.33Å; A430-F453 HydrophobicContact CB-CZ 3.93Å
431	E	97.9	Very high	94.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	-65.1	-32.6	-178.2	-70.6	76.9	-172.8	0	0	112.7	G395 V396 A397 G401 A402 F403 A422 L423 S424	G395-E431 VanDerWaalsContact C-CD 3.43Å; G395-E431 VanDerWaalsContact CA-OE1 3.28Å; G395-E431 WeakPolarHBondContact CA-OE1 3.19Å; V396-E431 PolarHBondContact N-OE1 3.09Å; V396-E431 VanDerWaalsContact N-OE1 3.16Å; A397-E431 PolarHBondContact N-OE1 3.31Å; G401-E431 CarbonylContact C-O 3.57Å; G401-E431 WeakPolarHBondContact CA-O 3.19Å; G401-E431 PolarHBondContact N-O 3.17Å; A402-E431 HydrophobicContact CB-CB 4.48Å; A402-E431 HydrophobicContact CB-CG 4.3Å; A402-E431 PolarHBondContact N-O 3.25Å; F403-E431 HydrophobicContact CB-CB 4.26Å; F403-E431 HydrophobicContact CD1-CB 3.85Å; F403-E431 HydrophobicContact CD1-CG 4.3Å; F403-E431 HydrophobicContact CD2-CB 3.55Å; F403-E431 HydrophobicContact CD2-CG 4.5Å; F403-E431 HydrophobicContact CE1-CB 4Å; F403-E431 HydrophobicContact CE1-CG 4.04Å; F403-E431 HydrophobicContact CE2-CB 3.74Å; F403-E431 HydrophobicContact CE2-CG 4.27Å; F403-E431 HydrophobicContact CG-CB 3.62Å; F403-E431 HydrophobicContact CZ-CB 3.96Å; F403-E431 HydrophobicContact CZ-CG 4.03Å; F403-E431 PolarHBondContact N-O 2.79Å; A422-E431 WeakPolarHBondContact CA-OE2 3.45Å; A422-E431 HydrophobicContact CB-CB 4.13Å; L423-E431 PolarHBondContact N-OE2 3.11Å; S424-E431 VanDerWaalsContact CB-OE1 3.27Å; S424-E431 WeakPolarHBondContact CB-OE1 3.47Å; S424-E431 PolarHBondContact N-OE2 3.37Å; S424-E431 PolarHBondContact OG-OE1 3.17Å
432	C	97.9	Very high	94.1	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.014	20%	0.2	C	C	.	.	S	Bend	trans	-155	167.8	163.4	61.5	0	0	0	0	109.7	F403 I408 A430 E436	F403-C432 HydrophobicContact CB-CB 3.96Å; I408-C432 HydrophobicContact CD1-CB 3.85Å; A430-C432 VanDerWaalsContact C-N 3.27Å; A430-C432 PolarHBondContact O-N 3.09Å; C432-E436 HydrophobicContact CB-CB 4.47Å
433	T	97.9	Very high	94.1	Very high	50 Å²	50	36.9 Å²	36.9	31%	0.307	20%	0.2	S	C	.	.			trans	-85.3	160.1	172.5	64.6	0	0	0	0	111.7	E435 E436 C437 F453	T433-E435 VanDerWaalsContact C-N 3.27Å; T433-E435 PolarHBondContact O-N 3.3Å; T433-E436 WeakPolarHBondContact CB-OE2 3.34Å; T433-E436 PolarHBondContact N-OE2 3.13Å; T433-E436 PolarHBondContact O-N 3.42Å; T433-E436 WeakPolarHBondContact OG1-CB 3.49Å; T433-E436 VanDerWaalsContact OG1-CD 3.27Å; T433-E436 WeakPolarHBondContact OG1-CG 3.33Å; T433-E436 PolarHBondContact OG1-N 3.03Å; T433-E436 VanDerWaalsContact OG1-N 3.16Å; T433-E436 PolarHBondContact OG1-OE2 2.89Å; T433-C437 PolarHBondContact O-N 2.81Å; T433-F453 HydrophobicContact CG2-CE1 3.84Å; T433-F453 HydrophobicContact CG2-CZ 4.28Å
434	A	97.4	Very high	94.2	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.008	21%	0.21	C	C	.	.	H	α-helix	trans	-58.4	-41.4	171.8	0	0	0	0	0	111.9	C437 Y438 F447 F453 V456 P466	A434-C437 PolarHBondContact O-N 3.46Å; A434-Y438 HydrophobicContact CB-CD2 4.32Å; A434-Y438 HydrophobicContact CB-CE2 4.05Å; A434-Y438 WeakPolarHBondContact O-CD2 3.48Å; A434-Y438 PolarHBondContact O-N 2.84Å; A434-F447 HydrophobicContact CB-CD1 3.84Å; A434-F447 HydrophobicContact CB-CE1 3.57Å; A434-F447 HydrophobicContact CB-CZ 4.27Å; A434-F453 HydrophobicContact CB-CB 3.95Å; A434-F453 HydrophobicContact CB-CD2 4.43Å; A434-F453 HydrophobicContact CB-CG 4.13Å; A434-V456 HydrophobicContact CB-CG2 3.97Å; A434-P466 HydrophobicContact CB-CB 3.8Å; A434-P466 HydrophobicContact CB-CG 3.69Å
435	E	97.6	Very high	94.5	Very high	96 Å²	96	39.7 Å²	39.7	45%	0.449	21%	0.209	S	C	.	.	H	α-helix	trans	-58.2	-49.7	178	-171.4	72.4	-150.2	0	0	111.6	T433 T439 V456	T433-E435 VanDerWaalsContact C-N 3.27Å; T433-E435 PolarHBondContact O-N 3.3Å; E435-T439 WeakPolarHBondContact O-CB 3.38Å; E435-T439 PolarHBondContact O-N 3Å; E435-T439 PolarHBondContact O-OG1 2.92Å; E435-V456 HydrophobicContact CB-CG2 4.41Å; E435-V456 VanDerWaalsContact OE2-CG1 3.29Å; E435-V456 WeakPolarHBondContact OE2-CG1 3.42Å
436	E	97.9	Very high	95.2	Very high	76 Å²	76	38.2 Å²	38.2	36%	0.355	20%	0.201	S	C	.	.	H	α-helix	trans	-61.2	-46.7	177.2	-73.7	164.2	145.8	0	0	111.2	I408 C432 T433 F440	I408-E436 HydrophobicContact CD1-CB 4.41Å; C432-E436 HydrophobicContact CB-CB 4.47Å; T433-E436 WeakPolarHBondContact CB-OE2 3.34Å; T433-E436 PolarHBondContact N-OE2 3.13Å; T433-E436 PolarHBondContact O-N 3.42Å; T433-E436 WeakPolarHBondContact OG1-CB 3.49Å; T433-E436 VanDerWaalsContact OG1-CD 3.27Å; T433-E436 WeakPolarHBondContact OG1-CG 3.33Å; T433-E436 PolarHBondContact OG1-N 3.03Å; T433-E436 VanDerWaalsContact OG1-N 3.16Å; T433-E436 PolarHBondContact OG1-OE2 2.89Å; E436-F440 HydrophobicContact CB-CD2 4.02Å; E436-F440 HydrophobicContact CB-CE2 3.66Å; E436-F440 HydrophobicContact CB-CZ 4.41Å; E436-F440 HydrophobicContact CG-CE2 3.83Å; E436-F440 HydrophobicContact CG-CZ 4.23Å; E436-F440 VanDerWaalsContact O-CB 3.3Å; E436-F440 WeakPolarHBondContact O-CB 3.39Å; E436-F440 WeakPolarHBondContact O-CD2 3.34Å; E436-F440 WeakPolarHBondContact O-CG 3.23Å; E436-F440 PolarHBondContact O-N 3.47Å
437	C	98.3	Very high	95.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-58.1	-54.7	178	177.8	0	0	0	0	111.5	T433 A434 T439 T441 F447	T433-C437 PolarHBondContact O-N 2.81Å; A434-C437 PolarHBondContact O-N 3.46Å; C437-T439 PolarHBondContact O-N 3.39Å; C437-T441 VanDerWaalsContact O-CB 3.3Å; C437-T441 WeakPolarHBondContact O-CB 3.5Å; C437-T441 WeakPolarHBondContact O-CG2 3.48Å; C437-T441 PolarHBondContact O-N 3.15Å; C437-T441 VanDerWaalsContact O-N 3.13Å; C437-T441 PolarHBondContact O-OG1 2.83Å; C437-F447 HydrophobicContact CB-CB 4.39Å; C437-F447 HydrophobicContact CB-CD2 3.54Å; C437-F447 HydrophobicContact CB-CE2 4.04Å; C437-F447 HydrophobicContact CB-CG 4.1Å
438	Y	98.3	Very high	96.6	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.008	17%	0.171	C	C	.	.	H	α-helix	trans	-68.3	-37.9	-177	-62.6	-49.9	0	0	0	112.2	A434 T441 E442 G443 G445 F447 V456 F464 P466	A434-Y438 HydrophobicContact CB-CD2 4.32Å; A434-Y438 HydrophobicContact CB-CE2 4.05Å; A434-Y438 WeakPolarHBondContact O-CD2 3.48Å; A434-Y438 PolarHBondContact O-N 2.84Å; Y438-T441 PolarHBondContact O-OG1 3.22Å; Y438-E442 PolarHBondContact O-N 3.36Å; Y438-E442 VanDerWaalsContact O-N 3.12Å; Y438-G443 PolarHBondContact O-N 3.41Å; Y438-G445 WeakPolarHBondContact CE1-O 3.38Å; Y438-F447 HydrophobicContact CE1-CB 3.85Å; Y438-V456 HydrophobicContact CD2-CB 3.78Å; Y438-V456 HydrophobicContact CD2-CG1 3.92Å; Y438-V456 HydrophobicContact CD2-CG2 3.99Å; Y438-V456 HydrophobicContact CE2-CB 4.3Å; Y438-V456 HydrophobicContact CE2-CG2 4.37Å; Y438-F464 HydrophobicContact CD1-CD2 4.4Å; Y438-F464 HydrophobicContact CD1-CG 4.25Å; Y438-F464 HydrophobicContact CD2-CB 3.96Å; Y438-F464 HydrophobicContact CD2-CG 4.38Å; Y438-F464 HydrophobicContact CE1-CB 4.16Å; Y438-F464 HydrophobicContact CE1-CD1 4.21Å; Y438-F464 HydrophobicContact CE1-CG 4.11Å; Y438-F464 HydrophobicContact CE2-CB 3.52Å; Y438-F464 HydrophobicContact CE2-CG 4.24Å; Y438-F464 HydrophobicContact CG-CB 4.44Å; Y438-F464 HydrophobicContact CG-CD2 4.3Å; Y438-F464 HydrophobicContact CG-CG 4.39Å; Y438-P466 HydrophobicContact CE2-CB 4.25Å
439	T	97.8	Very high	97.2	Very high	61 Å²	61	29.2 Å²	29.2	37%	0.374	14%	0.142	S	C	.	.	H	α-helix	trans	-65.6	-50.9	178.8	-62.8	0	0	0	0	111.6	E435 C437 T441 E442	E435-T439 WeakPolarHBondContact O-CB 3.38Å; E435-T439 PolarHBondContact O-N 3Å; E435-T439 PolarHBondContact O-OG1 2.92Å; C437-T439 PolarHBondContact O-N 3.39Å; T439-T441 VanDerWaalsContact C-N 3.27Å; T439-T441 PolarHBondContact O-N 3.43Å; T439-E442 PolarHBondContact O-N 3.44Å
440	F	98.3	Very high	97.1	Very high	37 Å²	37	25.5 Å²	25.5	16%	0.162	13%	0.127	C	C	.	.	H	α-helix	trans	-75.4	-17.2	-175.1	-56.6	-30.5	0	0	0	113.6	E405 I408 R409 E436	E405-F440 HydrophobicContact CB-CD2 3.94Å; E405-F440 HydrophobicContact CB-CE2 3.67Å; E405-F440 HydrophobicContact CB-CG 4.5Å; E405-F440 HydrophobicContact CB-CZ 4.02Å; E405-F440 HydrophobicContact CG-CD1 3.97Å; E405-F440 HydrophobicContact CG-CD2 3.85Å; E405-F440 HydrophobicContact CG-CE1 3.99Å; E405-F440 HydrophobicContact CG-CE2 3.87Å; E405-F440 HydrophobicContact CG-CG 3.91Å; E405-F440 HydrophobicContact CG-CZ 3.94Å; I408-F440 HydrophobicContact CB-CB 4.21Å; I408-F440 HydrophobicContact CB-CD2 4.35Å; I408-F440 HydrophobicContact CD1-CD2 3.95Å; I408-F440 HydrophobicContact CG2-CB 3.66Å; I408-F440 HydrophobicContact CG2-CD2 4.41Å; R409-F440 HydrophobicContact CG-CB 4.2Å; E436-F440 HydrophobicContact CB-CD2 4.02Å; E436-F440 HydrophobicContact CB-CE2 3.66Å; E436-F440 HydrophobicContact CB-CZ 4.41Å; E436-F440 HydrophobicContact CG-CE2 3.83Å; E436-F440 HydrophobicContact CG-CZ 4.23Å; E436-F440 VanDerWaalsContact O-CB 3.3Å; E436-F440 WeakPolarHBondContact O-CB 3.39Å; E436-F440 WeakPolarHBondContact O-CD2 3.34Å; E436-F440 WeakPolarHBondContact O-CG 3.23Å; E436-F440 PolarHBondContact O-N 3.47Å
441	T	98.1	Very high	96.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	4.7	173.3	65.7	0	0	0	0	113.5	I408 A412 P418 I420 C437 Y438 T439 G443 R444 G445	I408-T441 HydrophobicContact CG2-CG2 3.52Å; A412-T441 HydrophobicContact CB-CG2 4.08Å; P418-T441 HydrophobicContact CG-CG2 4.05Å; I420-T441 HydrophobicContact CD1-CG2 4.02Å; C437-T441 VanDerWaalsContact O-CB 3.3Å; C437-T441 WeakPolarHBondContact O-CB 3.5Å; C437-T441 WeakPolarHBondContact O-CG2 3.48Å; C437-T441 PolarHBondContact O-N 3.15Å; C437-T441 VanDerWaalsContact O-N 3.13Å; C437-T441 PolarHBondContact O-OG1 2.83Å; Y438-T441 PolarHBondContact O-OG1 3.22Å; T439-T441 VanDerWaalsContact C-N 3.27Å; T439-T441 PolarHBondContact O-N 3.43Å; T441-G443 PolarHBondContact O-N 3.37Å; T441-R444 VanDerWaalsContact O-CB 3.27Å; T441-R444 WeakPolarHBondContact O-CB 3.19Å; T441-R444 WeakPolarHBondContact O-CG 3.17Å; T441-R444 PolarHBondContact O-N 2.99Å; T441-G445 WeakPolarHBondContact OG1-CA 3.49Å; T441-G445 PolarHBondContact OG1-N 3.12Å
442	E	97.3	Very high	96.1	Very high	110 Å²	110	28.6 Å²	28.6	51%	0.514	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	36.7	-177.2	-58.2	156.8	-148.3	0	0	112.7	Y438 T439 R444 R462	Y438-E442 PolarHBondContact O-N 3.36Å; Y438-E442 VanDerWaalsContact O-N 3.12Å; T439-E442 PolarHBondContact O-N 3.44Å; E442-R444 VanDerWaalsContact C-N 3.26Å; E442-R444 PolarHBondContact O-N 3.34Å; E442-R444 IonicContact OE2-CZ 3.71Å; E442-R444 IonicContact OE2-NH1 2.87Å; E442-R444 PolarHBondContact OE2-NH1 2.94Å; E442-R444 IonicContact OE2-NH2 3.74Å; E442-R462 PolarHBondContact O-NH2 2.98Å
443	G	96.8	Very high	95.8	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.01	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	11.6	-177.7	0	0	0	0	0	114.8	Y438 T441 F464	Y438-G443 PolarHBondContact O-N 3.41Å; T441-G443 PolarHBondContact O-N 3.37Å; G443-F464 WeakPolarHBondContact O-CZ 3.32Å
444	R	97.6	Very high	95.6	Very high	78 Å²	78	35.1 Å²	35.1	29%	0.294	18%	0.177	S	C	.	.			trans	-86.2	-25.2	176.8	-61	-166.5	-64.6	-91.1	-0.3	113.1	E416 R417 T441 E442	E416-R444 WeakPolarHBondContact O-CB 3.41Å; E416-R444 WeakPolarHBondContact O-CD 3.28Å; R417-R444 WeakPolarHBondContact CD-O 3.02Å; R417-R444 PolarHBondContact NE-O 3.04Å; T441-R444 VanDerWaalsContact O-CB 3.27Å; T441-R444 WeakPolarHBondContact O-CB 3.19Å; T441-R444 WeakPolarHBondContact O-CG 3.17Å; T441-R444 PolarHBondContact O-N 2.99Å; E442-R444 VanDerWaalsContact C-N 3.26Å; E442-R444 PolarHBondContact O-N 3.34Å; E442-R444 IonicContact OE2-CZ 3.71Å; E442-R444 IonicContact OE2-NH1 2.87Å; E442-R444 PolarHBondContact OE2-NH1 2.94Å; E442-R444 IonicContact OE2-NH2 3.74Å
445	G	97.9	Very high	95.5	Very high	3 Å²	3	37.6 Å²	37.6	3%	0.031	20%	0.197	C	C	.	.			trans	-60.7	135	-179.2	0	0	0	0	0	112.7	Y438 T441	Y438-G445 WeakPolarHBondContact CE1-O 3.38Å; T441-G445 WeakPolarHBondContact OG1-CA 3.49Å; T441-G445 PolarHBondContact OG1-N 3.12Å
446	I	98.6	Very high	95.5	Very high	6 Å²	6	33.2 Å²	33.2	3%	0.031	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	106.1	172	-62.8	167.9	0	0	0	106.8	A301 I304 T305 R417 P418 I419 I420 L516	A301-I446 HydrophobicContact CB-CD1 4.47Å; A301-I446 HydrophobicContact CB-CG2 3.76Å; I304-I446 HydrophobicContact CB-CD1 3.87Å; I304-I446 HydrophobicContact CD1-CD1 4.33Å; I304-I446 HydrophobicContact CD1-CG1 4.26Å; I304-I446 HydrophobicContact CD1-CG2 4.27Å; I304-I446 HydrophobicContact CG2-CD1 3.7Å; I304-I446 HydrophobicContact CG2-CG1 4.13Å; T305-I446 HydrophobicContact CG2-CD1 3.59Å; R417-I446 HydrophobicContact CB-CD1 3.84Å; R417-I446 HydrophobicContact CB-CG1 4.34Å; P418-I446 PolarHBondContact O-N 3.43Å; I419-I446 HydrophobicContact CG1-CB 4.31Å; I419-I446 HydrophobicContact CG1-CD1 4.16Å; I420-I446 PolarHBondContact N-O 3.2Å; I446-L516 HydrophobicContact CG2-CD1 3.54Å; I446-L516 HydrophobicContact CG2-CD2 3.72Å; I446-L516 HydrophobicContact CG2-CG 4.08Å
447	F	98.5	Very high	95.5	Very high	1 Å²	1	33.6 Å²	33.6	0%	0.004	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	138.4	-169.4	-175.5	-99.5	0	0	0	112.7	I420 A422 A434 C437 Y438 F453 P466	I420-F447 HydrophobicContact CB-CD2 4.49Å; I420-F447 HydrophobicContact CG2-CD2 4.3Å; I420-F447 WeakPolarHBondContact O-CA 3.32Å; I420-F447 WeakPolarHBondContact O-CD2 3.36Å; A422-F447 HydrophobicContact CB-CE2 3.92Å; A422-F447 HydrophobicContact CB-CZ 4.08Å; A434-F447 HydrophobicContact CB-CD1 3.84Å; A434-F447 HydrophobicContact CB-CE1 3.57Å; A434-F447 HydrophobicContact CB-CZ 4.27Å; C437-F447 HydrophobicContact CB-CB 4.39Å; C437-F447 HydrophobicContact CB-CD2 3.54Å; C437-F447 HydrophobicContact CB-CE2 4.04Å; C437-F447 HydrophobicContact CB-CG 4.1Å; Y438-F447 HydrophobicContact CE1-CB 3.85Å; F447-F453 HydrophobicContact CE1-CD2 4.09Å; F447-F453 HydrophobicContact CE1-CE2 4.38Å; F447-F453 HydrophobicContact CZ-CD2 4.37Å; F447-F453 HydrophobicContact CZ-CE2 4.2Å; F447-P466 HydrophobicContact CD1-CB 3.67Å; F447-P466 HydrophobicContact CE1-CB 4.05Å
448	A	97.8	Very high	95.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	157.7	163.3	0	0	0	0	0	110	I420 F421 A422 G467 L516 Y517	I420-A448 PolarHBondContact O-N 3.44Å; F421-A448 CarbonylContact C-O 3.53Å; F421-A448 WeakPolarHBondContact CA-O 3.05Å; F421-A448 HydrophobicContact CD1-CB 3.78Å; F421-A448 HydrophobicContact CE1-CB 3.79Å; F421-A448 HydrophobicContact CG-CB 4.28Å; F421-A448 HydrophobicContact CZ-CB 4.26Å; A422-A448 PolarHBondContact N-O 3.12Å; A448-G467 WeakPolarHBondContact CA-O 3.33Å; A448-L516 HydrophobicContact CB-CD1 3.98Å; A448-Y517 HydrophobicContact CB-CE2 3.88Å
449	S	94.9	Very high	95.2	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.007	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	160.4	-177.5	53	0	0	0	0	112.7	A422 S451 F453 G467 Q468 G469	A422-S449 CarbonylContact O-C 3.29Å; A422-S449 WeakPolarHBondContact O-CA 3.39Å; A422-S449 WeakPolarHBondContact O-CB 3.48Å; S449-S451 PolarHBondContact OG-O 3.48Å; S449-F453 WeakPolarHBondContact OG-CD2 3.3Å; S449-G467 PolarHBondContact N-O 3.2Å; S449-G467 VanDerWaalsContact N-O 3.08Å; S449-Q468 CarbonylContact O-C 3.29Å; S449-Q468 VanDerWaalsContact O-CA 3.31Å; S449-Q468 WeakPolarHBondContact O-CA 2.99Å; S449-G469 PolarHBondContact O-N 2.89Å
450	G	88.4	Confident	95	Very high	3 Å²	3	42.3 Å²	42.3	3%	0.031	24%	0.237	C	C	.	.	S	Bend	trans	-76.6	-37.8	177.7	0	0	0	0	0	112.4	A422 N425 Q468	A422-G450 PolarHBondContact O-N 2.92Å; N425-G450 PolarHBondContact OD1-O 3.13Å; G450-Q468 VanDerWaalsContact O-CG 3.24Å; G450-Q468 WeakPolarHBondContact O-CG 3.16Å; G450-Q468 PolarHBondContact O-NE2 3.31Å
451	S	84.8	Confident	94.8	Very high	6 Å²	6	43.1 Å²	43.1	4%	0.042	26%	0.256	C	S	.	.	S	Bend	trans	-102.7	153.5	178.2	-69.8	0	0	0	0	111.2	N425 P426 T427 S449	N425-S451 PolarHBondContact OD1-N 3.27Å; N425-S451 VanDerWaalsContact OD1-N 3.12Å; N425-S451 PolarHBondContact OD1-OG 3.29Å; P426-S451 VanDerWaalsContact C-OG 3.24Å; P426-S451 WeakPolarHBondContact CA-OG 3.2Å; T427-S451 PolarHBondContact N-OG 2.61Å; T427-S451 VanDerWaalsContact N-OG 3.07Å; T427-S451 VanDerWaalsContact OG1-CB 3.25Å; T427-S451 WeakPolarHBondContact OG1-CB 2.98Å; S449-S451 PolarHBondContact OG-O 3.48Å
452	P	87	Confident	94.7	Very high	66 Å²	66	48.1 Å²	48.1	43%	0.429	28%	0.275	S	S	.	.			trans	-68.3	145.4	-178.5	29.1	-35	0	0	0	112.1
453	F	91.3	Very high	94.6	Very high	43 Å²	43	45.6 Å²	45.6	19%	0.189	27%	0.267	C	S	.	.			trans	-128	150.2	167.6	-74.1	-79	0	0	0	109.5	T427 A430 T433 A434 F447 S449 P466	T427-F453 HydrophobicContact CG2-CD1 4.27Å; T427-F453 HydrophobicContact CG2-CE1 3.51Å; T427-F453 HydrophobicContact CG2-CZ 3.67Å; A430-F453 HydrophobicContact CB-CE2 4.33Å; A430-F453 HydrophobicContact CB-CZ 3.93Å; T433-F453 HydrophobicContact CG2-CE1 3.84Å; T433-F453 HydrophobicContact CG2-CZ 4.28Å; A434-F453 HydrophobicContact CB-CB 3.95Å; A434-F453 HydrophobicContact CB-CD2 4.43Å; A434-F453 HydrophobicContact CB-CG 4.13Å; F447-F453 HydrophobicContact CE1-CD2 4.09Å; F447-F453 HydrophobicContact CE1-CE2 4.38Å; F447-F453 HydrophobicContact CZ-CD2 4.37Å; F447-F453 HydrophobicContact CZ-CE2 4.2Å; S449-F453 WeakPolarHBondContact OG-CD2 3.3Å; F453-P466 HydrophobicContact CB-CG 3.84Å
454	D	92.8	Very high	94.6	Very high	147 Å²	147	46.3 Å²	46.3	79%	0.786	27%	0.27	S	S	*	.			trans	-66.8	165.7	174.2	-66.7	-36.5	0	0	0	111.8	P466	D454-P466 WeakPolarHBondContact O-CG 3.42Å
455	A	96.1	Very high	94.6	Very high	52 Å²	52	45.3 Å²	45.3	43%	0.43	27%	0.268	S	S	.	.			trans	-63.6	142.9	172.7	0	0	0	0	0	111	T463 F464 H465	A455-T463 HydrophobicContact CB-CG2 4.24Å; A455-F464 CarbonylContact C-O 3.49Å; A455-F464 VanDerWaalsContact CA-O 3.32Å; A455-F464 WeakPolarHBondContact CA-O 3.3Å; A455-H465 WeakPolarHBondContact CB-ND1 3.33Å
456	V	97.6	Very high	94.3	Very high	5 Å²	5	46 Å²	46	3%	0.03	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	119.7	-177.9	173.4	0	0	0	0	109.4	A434 E435 Y438 L458 T463 F464	A434-V456 HydrophobicContact CB-CG2 3.97Å; E435-V456 HydrophobicContact CB-CG2 4.41Å; E435-V456 VanDerWaalsContact OE2-CG1 3.29Å; E435-V456 WeakPolarHBondContact OE2-CG1 3.42Å; Y438-V456 HydrophobicContact CD2-CB 3.78Å; Y438-V456 HydrophobicContact CD2-CG1 3.92Å; Y438-V456 HydrophobicContact CD2-CG2 3.99Å; Y438-V456 HydrophobicContact CE2-CB 4.3Å; Y438-V456 HydrophobicContact CE2-CG2 4.37Å; V456-L458 HydrophobicContact CG1-CD2 4.23Å; V456-T463 CarbonylContact O-C 3.39Å; V456-T463 WeakPolarHBondContact O-CA 3.07Å; V456-F464 PolarHBondContact N-O 3.02Å; V456-F464 PolarHBondContact O-N 3.44Å
457	T	97.6	Very high	93.9	Very high	84 Å²	84	46 Å²	46	52%	0.515	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	116.3	174.6	-58.5	0	0	0	0	109.9	R462 T463	T457-R462 CarbonylContact C-O 3.55Å; T457-R462 WeakPolarHBondContact CA-O 3.49Å; T457-T463 PolarHBondContact OG1-OG1 2.98Å
458	L	96.3	Very high	93.5	Very high	12 Å²	12	47 Å²	47	6%	0.063	28%	0.279	C	S	.	.			trans	-76.1	161.2	178.5	-66.2	-173	0	0	0	112.1	V456 D460 G461 R462 F464	V456-L458 HydrophobicContact CG1-CD2 4.23Å; L458-D460 WeakPolarHBondContact CB-OD1 3.36Å; L458-D460 PolarHBondContact O-N 3.02Å; L458-G461 PolarHBondContact O-N 3.35Å; L458-R462 PolarHBondContact N-O 3.09Å; L458-F464 HydrophobicContact CD1-CD2 4.31Å; L458-F464 HydrophobicContact CD1-CE2 3.64Å; L458-F464 HydrophobicContact CG-CD2 4.3Å; L458-F464 HydrophobicContact CG-CE2 4.06Å
459	P	94.7	Very high	93.2	Very high	138 Å²	138	47.4 Å²	47.4	90%	0.896	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-21.5	177.9	-26.2	35.2	0	0	0	115.1	G461	P459-G461 VanDerWaalsContact C-N 3.28Å
460	D	93.1	Very high	93	Very high	95 Å²	95	47.8 Å²	47.8	51%	0.508	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	1	177	67.1	11.2	0	0	0	113.8	L458 R462	L458-D460 WeakPolarHBondContact CB-OD1 3.36Å; L458-D460 PolarHBondContact O-N 3.02Å; D460-R462 WeakPolarHBondContact OD1-CB 3.49Å; D460-R462 WeakPolarHBondContact OD1-CG 3.4Å; D460-R462 PolarHBondContact OD1-N 3.34Å; D460-R462 IonicContact OD1-NE 2.69Å; D460-R462 PolarHBondContact OD1-NE 3.26Å; D460-R462 IonicContact OD2-CZ 2.74Å; D460-R462 IonicContact OD2-NE 2.61Å; D460-R462 PolarHBondContact OD2-NE 3.42Å; D460-R462 IonicContact OD2-NH2 3.13Å; D460-R462 PolarHBondContact OD2-NH2 3.37Å
461	G	94.3	Very high	93.2	Very high	55 Å²	55	48.7 Å²	48.7	57%	0.567	29%	0.289	S	S	*	.	S	Bend	trans	89.6	-6	178	0	0	0	0	0	115	L458 P459	L458-G461 PolarHBondContact O-N 3.35Å; P459-G461 VanDerWaalsContact C-N 3.28Å
462	R	94.6	Very high	93.7	Very high	104 Å²	104	48.4 Å²	48.4	39%	0.392	29%	0.287	S	S	.	.			trans	-68.2	134.9	173.3	-68	-177.2	-70.4	159.3	-1.3	110.1	E442 T457 L458 D460 F464	E442-R462 PolarHBondContact O-NH2 2.98Å; T457-R462 CarbonylContact C-O 3.55Å; T457-R462 WeakPolarHBondContact CA-O 3.49Å; L458-R462 PolarHBondContact N-O 3.09Å; D460-R462 WeakPolarHBondContact OD1-CB 3.49Å; D460-R462 WeakPolarHBondContact OD1-CG 3.4Å; D460-R462 PolarHBondContact OD1-N 3.34Å; D460-R462 IonicContact OD1-NE 2.69Å; D460-R462 PolarHBondContact OD1-NE 3.26Å; D460-R462 IonicContact OD2-CZ 2.74Å; D460-R462 IonicContact OD2-NE 2.61Å; D460-R462 PolarHBondContact OD2-NE 3.42Å; D460-R462 IonicContact OD2-NH2 3.13Å; D460-R462 PolarHBondContact OD2-NH2 3.37Å; R462-F464 HydrophobicContact CB-CE2 3.88Å; R462-F464 HydrophobicContact CB-CZ 4.29Å
463	T	96.9	Very high	94.2	Very high	57 Å²	57	45.5 Å²	45.5	35%	0.35	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	129.1	175.9	-60	0	0	0	0	109.8	A455 V456 T457	A455-T463 HydrophobicContact CB-CG2 4.24Å; V456-T463 CarbonylContact O-C 3.39Å; V456-T463 WeakPolarHBondContact O-CA 3.07Å; T457-T463 PolarHBondContact OG1-OG1 2.98Å
464	F	96.8	Very high	94.5	Very high	16 Å²	16	43.4 Å²	43.4	7%	0.07	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	141.4	178.9	-64.1	-85	0	0	0	110.5	Y438 G443 A455 V456 L458 R462 P466 E513	Y438-F464 HydrophobicContact CD1-CD2 4.4Å; Y438-F464 HydrophobicContact CD1-CG 4.25Å; Y438-F464 HydrophobicContact CD2-CB 3.96Å; Y438-F464 HydrophobicContact CD2-CG 4.38Å; Y438-F464 HydrophobicContact CE1-CB 4.16Å; Y438-F464 HydrophobicContact CE1-CD1 4.21Å; Y438-F464 HydrophobicContact CE1-CG 4.11Å; Y438-F464 HydrophobicContact CE2-CB 3.52Å; Y438-F464 HydrophobicContact CE2-CG 4.24Å; Y438-F464 HydrophobicContact CG-CB 4.44Å; Y438-F464 HydrophobicContact CG-CD2 4.3Å; Y438-F464 HydrophobicContact CG-CG 4.39Å; G443-F464 WeakPolarHBondContact O-CZ 3.32Å; A455-F464 CarbonylContact C-O 3.49Å; A455-F464 VanDerWaalsContact CA-O 3.32Å; A455-F464 WeakPolarHBondContact CA-O 3.3Å; V456-F464 PolarHBondContact N-O 3.02Å; V456-F464 PolarHBondContact O-N 3.44Å; L458-F464 HydrophobicContact CD1-CD2 4.31Å; L458-F464 HydrophobicContact CD1-CE2 3.64Å; L458-F464 HydrophobicContact CG-CD2 4.3Å; L458-F464 HydrophobicContact CG-CE2 4.06Å; R462-F464 HydrophobicContact CB-CE2 3.88Å; R462-F464 HydrophobicContact CB-CZ 4.29Å; F464-P466 WeakPolarHBondContact O-CD 3.26Å; F464-E513 CarbonylContact C-O 3.36Å; F464-E513 WeakPolarHBondContact CA-O 3.48Å
465	H	95.9	Very high	94.8	Very high	57 Å²	57	36.4 Å²	36.4	26%	0.264	22%	0.221	S	C	.	.			trans	-114.3	92.8	176.7	-64	-85.9	0	0	0	108.6	A455 G467 E513 R515	A455-H465 WeakPolarHBondContact CB-ND1 3.33Å; H465-G467 PolarHBondContact O-N 3.22Å; H465-E513 IonicContact CD2-OE2 2.74Å; H465-E513 PolarHBondContact N-O 3.11Å; H465-R515 HydrophobicContact CB-CG 3.92Å; H465-R515 PolarHBondContact ND1-NH2 3.17Å; H465-R515 VanDerWaalsContact O-CG 3.26Å; H465-R515 WeakPolarHBondContact O-CG 3.36Å
466	P	93.1	Very high	94.9	Very high	17 Å²	17	34 Å²	34	11%	0.11	20%	0.2	C	C	.	.			trans	-61.7	129.4	-174.1	26.5	-35.3	0	0	0	111	A434 Y438 F447 F453 D454 F464	A434-P466 HydrophobicContact CB-CB 3.8Å; A434-P466 HydrophobicContact CB-CG 3.69Å; Y438-P466 HydrophobicContact CE2-CB 4.25Å; F447-P466 HydrophobicContact CD1-CB 3.67Å; F447-P466 HydrophobicContact CE1-CB 4.05Å; F453-P466 HydrophobicContact CB-CG 3.84Å; D454-P466 WeakPolarHBondContact O-CG 3.42Å; F464-P466 WeakPolarHBondContact O-CD 3.26Å
467	G	89.6	Confident	94.9	Very high	7 Å²	7	33.7 Å²	33.7	7%	0.072	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	143.7	178.5	0	0	0	0	0	112.6	A448 S449 H465	A448-G467 WeakPolarHBondContact CA-O 3.33Å; S449-G467 PolarHBondContact N-O 3.2Å; S449-G467 VanDerWaalsContact N-O 3.08Å; H465-G467 PolarHBondContact O-N 3.22Å
468	Q	90.6	Very high	94.9	Very high	23 Å²	23	29.7 Å²	29.7	11%	0.107	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	114.3	171.9	-166.3	-170.2	0.3	0	0	110.2	S449 G450 N470 Y517	S449-Q468 CarbonylContact O-C 3.29Å; S449-Q468 VanDerWaalsContact O-CA 3.31Å; S449-Q468 WeakPolarHBondContact O-CA 2.99Å; G450-Q468 VanDerWaalsContact O-CG 3.24Å; G450-Q468 WeakPolarHBondContact O-CG 3.16Å; G450-Q468 PolarHBondContact O-NE2 3.31Å; Q468-N470 HydrophobicContact CG-CB 4Å; Q468-N470 PolarHBondContact NE2-ND2 3.04Å; Q468-N470 VanDerWaalsContact NE2-ND2 3.2Å; Q468-N470 PolarHBondContact O-N 3.12Å; Q468-Y517 WeakPolarHBondContact O-CD2 3.49Å
469	G	91.4	Very high	95	Very high	7 Å²	7	29.1 Å²	29.1	7%	0.072	17%	0.171	C	C	.	.			trans	-74.1	60.9	171.3	0	0	0	0	0	111.7	S449 Y517	S449-G469 PolarHBondContact O-N 2.89Å; G469-Y517 VanDerWaalsContact CA-CE2 3.45Å; G469-Y517 VanDerWaalsContact CA-CZ 3.46Å
470	N	89.4	Confident	95.1	Very high	9 Å²	9	22.7 Å²	22.7	5%	0.048	13%	0.129	C	C	.	.			trans	-86.3	128.9	-176.8	-167.3	-33.4	0	0	0	110.7	Q468 A472 Y473	Q468-N470 HydrophobicContact CG-CB 4Å; Q468-N470 PolarHBondContact NE2-ND2 3.04Å; Q468-N470 VanDerWaalsContact NE2-ND2 3.2Å; Q468-N470 PolarHBondContact O-N 3.12Å; N470-A472 HydrophobicContact CB-CB 4.49Å; N470-A472 PolarHBondContact O-N 3.39Å; N470-A472 VanDerWaalsContact OD1-CB 3.3Å; N470-A472 WeakPolarHBondContact OD1-CB 3.49Å; N470-A472 PolarHBondContact OD1-N 2.91Å; N470-Y473 HydrophobicContact CB-CD2 4.44Å; N470-Y473 WeakPolarHBondContact O-CD2 3.35Å; N470-Y473 PolarHBondContact O-N 3.12Å
471	N	93.5	Very high	95.4	Very high	22 Å²	22	18.1 Å²	18.1	12%	0.118	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-55.6	-19.9	176.3	-65.6	22.5	0	0	0	113	D285 T290 Y473 I474 F475	D285-N471 PolarHBondContact O-ND2 3.27Å; D285-N471 VanDerWaalsContact OD2-CB 3.23Å; D285-N471 WeakPolarHBondContact OD2-CB 3.43Å; D285-N471 PolarHBondContact OD2-ND2 2.9Å; T290-N471 PolarHBondContact N-ND2 3.41Å; T290-N471 PolarHBondContact OG1-ND2 2.95Å; T290-N471 PolarHBondContact OG1-OD1 3.2Å; N471-Y473 PolarHBondContact O-N 2.73Å; N471-Y473 VanDerWaalsContact O-N 3.08Å; N471-I474 PolarHBondContact O-N 2.98Å; N471-F475 VanDerWaalsContact C-CD1 3.47Å; N471-F475 HydrophobicContact CB-CD1 4.07Å; N471-F475 HydrophobicContact CB-CE1 4.37Å; N471-F475 WeakPolarHBondContact O-CD1 3.31Å; N471-F475 PolarHBondContact O-N 3.16Å; N471-F475 VanDerWaalsContact O-N 3.16Å
472	A	95.1	Very high	95.5	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-55.1	-20	172.3	0	0	0	0	0	114.4	M115 L193 N470 I474 F475 P476 I523	M115-A472 HydrophobicContact SD-CB 4Å; L193-A472 HydrophobicContact CD1-CB 4.32Å; N470-A472 HydrophobicContact CB-CB 4.49Å; N470-A472 PolarHBondContact O-N 3.39Å; N470-A472 VanDerWaalsContact OD1-CB 3.3Å; N470-A472 WeakPolarHBondContact OD1-CB 3.49Å; N470-A472 PolarHBondContact OD1-N 2.91Å; A472-I474 VanDerWaalsContact C-N 3.3Å; A472-F475 HydrophobicContact CB-CE1 4.14Å; A472-F475 HydrophobicContact CB-CZ 4.39Å; A472-P476 WeakPolarHBondContact O-CD 3.46Å; A472-P476 WeakPolarHBondContact O-CG 3.17Å; A472-I523 HydrophobicContact CB-CD1 3.94Å; A472-I523 WeakPolarHBondContact O-CD1 3.4Å
473	Y	97.5	Very high	95.5	Very high	5 Å²	5	12.1 Å²	12.1	2%	0.02	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-75	-18.8	171.5	-74.3	-68.8	0	0	0	114.1	N470 N471 L502 Y517 P518 L520 I523 V526	N470-Y473 HydrophobicContact CB-CD2 4.44Å; N470-Y473 WeakPolarHBondContact O-CD2 3.35Å; N470-Y473 PolarHBondContact O-N 3.12Å; N471-Y473 PolarHBondContact O-N 2.73Å; N471-Y473 VanDerWaalsContact O-N 3.08Å; Y473-L502 HydrophobicContact CD1-CD1 3.85Å; Y473-L502 HydrophobicContact CG-CD1 4.04Å; Y473-L502 HydrophobicContact CG-CD2 4.19Å; Y473-Y517 HydrophobicContact CD2-CD1 4.49Å; Y473-Y517 HydrophobicContact CE2-CG 4.38Å; Y473-P518 PolarHBondContact OH-O 2.69Å; Y473-L520 HydrophobicContact CE1-CD2 4.28Å; Y473-L520 HydrophobicContact CE2-CD2 4.01Å; Y473-L520 WeakPolarHBondContact OH-CD2 3.13Å; Y473-L520 VanDerWaalsContact OH-CG 3.29Å; Y473-L520 WeakPolarHBondContact OH-CG 3.33Å; Y473-L520 PolarHBondContact OH-N 2.88Å; Y473-I523 HydrophobicContact CD1-CD1 4.03Å; Y473-I523 HydrophobicContact CD1-CG1 3.83Å; Y473-I523 HydrophobicContact CE1-CB 4.37Å; Y473-I523 HydrophobicContact CE1-CD1 4.12Å; Y473-I523 HydrophobicContact CE1-CG1 3.96Å; Y473-I523 HydrophobicContact CG-CD1 4.46Å; Y473-V526 HydrophobicContact CD1-CG1 4.36Å
474	I	98.3	Very high	95.4	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-65.9	-171.3	-60.3	-61.7	0	0	0	111.1	A292 V293 N471 A472 P476 G477 V478 F495 A498 L502 L530	A292-I474 HydrophobicContact CB-CB 4.47Å; A292-I474 HydrophobicContact CB-CD1 3.8Å; A292-I474 HydrophobicContact CB-CG1 3.86Å; A292-I474 HydrophobicContact CB-CG2 3.83Å; V293-I474 HydrophobicContact CB-CG1 3.86Å; N471-I474 PolarHBondContact O-N 2.98Å; A472-I474 VanDerWaalsContact C-N 3.3Å; I474-P476 VanDerWaalsContact C-N 3.33Å; I474-G477 PolarHBondContact O-N 3.4Å; I474-G477 VanDerWaalsContact O-N 3.12Å; I474-V478 HydrophobicContact CG2-CG2 3.68Å; I474-V478 WeakPolarHBondContact O-CG2 3.3Å; I474-V478 PolarHBondContact O-N 2.73Å; I474-F495 HydrophobicContact CG2-CD1 4.2Å; I474-F495 HydrophobicContact CG2-CE1 4.3Å; I474-A498 HydrophobicContact CD1-CB 4.35Å; I474-L502 HydrophobicContact CD1-CB 4.47Å; I474-L502 HydrophobicContact CD1-CD2 3.74Å; I474-L502 HydrophobicContact CG1-CD2 4.45Å; I474-L530 HydrophobicContact CD1-CD1 4.17Å
475	F	98	Very high	95.4	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-58.2	-35.2	-167.7	69.6	-99.8	0	0	0	114.5	K190 L193 Y194 F283 D285 N471 A472 G479	K190-F475 HydrophobicContact CD-CD1 4.16Å; K190-F475 HydrophobicContact CD-CD2 4.2Å; K190-F475 HydrophobicContact CD-CE1 3.77Å; K190-F475 HydrophobicContact CD-CE2 3.8Å; K190-F475 HydrophobicContact CD-CG 4.37Å; K190-F475 HydrophobicContact CD-CZ 3.59Å; L193-F475 HydrophobicContact CB-CE2 3.85Å; L193-F475 HydrophobicContact CB-CZ 3.67Å; L193-F475 HydrophobicContact CD1-CZ 3.91Å; L193-F475 HydrophobicContact CG-CZ 4.43Å; Y194-F475 AromaticContact CD2-CD2 3.47Å; Y194-F475 HydrophobicContact CD2-CD2 3.47Å; Y194-F475 VanDerWaalsContact CD2-CD2 3.47Å; Y194-F475 AromaticContact CD2-CE2 3.6Å; Y194-F475 HydrophobicContact CD2-CE2 3.6Å; Y194-F475 HydrophobicContact CE2-CB 4.44Å; Y194-F475 AromaticContact CE2-CD2 3.23Å; Y194-F475 HydrophobicContact CE2-CD2 3.23Å; Y194-F475 AromaticContact CE2-CE2 3.81Å; Y194-F475 HydrophobicContact CE2-CE2 3.81Å; Y194-F475 HydrophobicContact CE2-CG 4.19Å; Y194-F475 HydrophobicContact CG-CD2 4.37Å; Y194-F475 AromaticContact CZ-CD2 3.97Å; F283-F475 HydrophobicContact CE2-CB 4.42Å; F283-F475 HydrophobicContact CZ-CB 4.13Å; D285-F475 WeakPolarHBondContact OD1-CB 2.84Å; N471-F475 VanDerWaalsContact C-CD1 3.47Å; N471-F475 HydrophobicContact CB-CD1 4.07Å; N471-F475 HydrophobicContact CB-CE1 4.37Å; N471-F475 WeakPolarHBondContact O-CD1 3.31Å; N471-F475 PolarHBondContact O-N 3.16Å; N471-F475 VanDerWaalsContact O-N 3.16Å; A472-F475 HydrophobicContact CB-CE1 4.14Å; A472-F475 HydrophobicContact CB-CZ 4.39Å; F475-G479 PolarHBondContact O-N 2.87Å
476	P	98.3	Very high	95.4	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-66.9	-42.3	179	-18.7	32.7	0	0	0	111.8	C197 G198 A472 I474 L480	C197-P476 HydrophobicContact CB-CB 3.99Å; C197-P476 HydrophobicContact CB-CG 3.8Å; G198-P476 VanDerWaalsContact CA-CB 3.4Å; G198-P476 VanDerWaalsContact N-CB 3.31Å; A472-P476 WeakPolarHBondContact O-CD 3.46Å; A472-P476 WeakPolarHBondContact O-CG 3.17Å; I474-P476 VanDerWaalsContact C-N 3.33Å; P476-L480 VanDerWaalsContact O-CB 3.28Å; P476-L480 WeakPolarHBondContact O-CB 3.23Å; P476-L480 PolarHBondContact O-N 2.85Å
477	G	98.1	Very high	95.5	Very high	0 Å²	0	6 Å²	6	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-74.2	-37.1	178.8	0	0	0	0	0	113.2	I474 L480 A481 S527 L530 A531	I474-G477 PolarHBondContact O-N 3.4Å; I474-G477 VanDerWaalsContact O-N 3.12Å; G477-L480 PolarHBondContact O-N 2.81Å; G477-A481 PolarHBondContact O-N 3.3Å; G477-S527 WeakPolarHBondContact CA-O 3.28Å; G477-L530 VanDerWaalsContact C-CD2 3.49Å; G477-A531 WeakPolarHBondContact O-CB 3.23Å
478	V	98.4	Very high	95.4	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-61.7	-48.2	171.2	172.1	0	0	0	0	110.2	I474 L480 A481 V482 F495 A498 L530 I534	I474-V478 HydrophobicContact CG2-CG2 3.68Å; I474-V478 WeakPolarHBondContact O-CG2 3.3Å; I474-V478 PolarHBondContact O-N 2.73Å; V478-L480 VanDerWaalsContact C-N 3.35Å; V478-L480 PolarHBondContact O-N 3.28Å; V478-A481 PolarHBondContact O-N 3.48Å; V478-V482 HydrophobicContact CG1-CG2 4.2Å; V478-V482 WeakPolarHBondContact O-CB 3.5Å; V478-V482 WeakPolarHBondContact O-CG2 3.41Å; V478-V482 PolarHBondContact O-N 2.98Å; V478-F495 HydrophobicContact CG1-CE1 4.36Å; V478-F495 HydrophobicContact CG1-CZ 4.44Å; V478-F495 HydrophobicContact CG2-CE1 4.33Å; V478-A498 HydrophobicContact CG2-CB 4.01Å; V478-L530 HydrophobicContact CG2-CD2 4.15Å; V478-I534 HydrophobicContact CB-CD1 4.41Å; V478-I534 HydrophobicContact CG2-CD1 3.81Å
479	G	97.6	Very high	95.5	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-57.2	-47	176.2	0	0	0	0	0	112.9	F475 V482 T483	F475-G479 PolarHBondContact O-N 2.87Å; G479-V482 PolarHBondContact O-N 2.89Å; G479-T483 WeakPolarHBondContact O-CG2 3.43Å; G479-T483 PolarHBondContact O-N 3.33Å; G479-T483 VanDerWaalsContact O-N 3.1Å; G479-T483 PolarHBondContact O-OG1 3.08Å
480	L	97.3	Very high	95.8	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.01	7%	0.071	C	C	.	.	H	α-helix	trans	-58.4	-49.4	175.2	-175	65.7	0	0	0	111.5	G198 P476 G477 V478 V482 T483 A484 A531 V557	G198-L480 WeakPolarHBondContact O-CD2 3.32Å; P476-L480 VanDerWaalsContact O-CB 3.28Å; P476-L480 WeakPolarHBondContact O-CB 3.23Å; P476-L480 PolarHBondContact O-N 2.85Å; G477-L480 PolarHBondContact O-N 2.81Å; V478-L480 VanDerWaalsContact C-N 3.35Å; V478-L480 PolarHBondContact O-N 3.28Å; L480-V482 PolarHBondContact O-N 3.28Å; L480-T483 PolarHBondContact O-N 3.03Å; L480-T483 PolarHBondContact O-OG1 3.05Å; L480-T483 VanDerWaalsContact O-OG1 3.12Å; L480-A484 WeakPolarHBondContact O-CB 3.4Å; L480-A484 PolarHBondContact O-N 2.95Å; L480-A531 HydrophobicContact CB-CB 4.09Å; L480-A531 HydrophobicContact CD2-CB 3.78Å; L480-A531 HydrophobicContact CG-CB 4Å; L480-V557 HydrophobicContact CD1-CG1 4.31Å; L480-V557 HydrophobicContact CD2-CG1 3.24Å; L480-V557 HydrophobicContact CG-CG1 3.76Å
481	A	97.8	Very high	96.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-60.4	-47.8	177.9	0	0	0	0	0	113.3	G477 V478 T483 A484 C485 A531 I534 M535	G477-A481 PolarHBondContact O-N 3.3Å; V478-A481 PolarHBondContact O-N 3.48Å; A481-T483 VanDerWaalsContact C-N 3.26Å; A481-T483 PolarHBondContact O-N 3.45Å; A481-A484 PolarHBondContact O-N 3.01Å; A481-C485 PolarHBondContact O-N 2.98Å; A481-C485 PolarHBondContact O-SG 2.64Å; A481-A531 HydrophobicContact CB-CB 3.97Å; A481-I534 HydrophobicContact CB-CB 3.69Å; A481-I534 HydrophobicContact CB-CD1 4.21Å; A481-I534 HydrophobicContact CB-CG2 3.58Å; A481-M535 HydrophobicContact CB-CG 4.42Å
482	V	96.7	Very high	96.2	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-55.8	-46.6	-178	163.9	0	0	0	0	110	L258 C281 V478 G479 L480 A486 L487 I490	L258-V482 HydrophobicContact CB-CG1 4.13Å; L258-V482 HydrophobicContact CD1-CG1 4.48Å; C281-V482 WeakPolarHBondContact SG-CG1 3.4Å; V478-V482 HydrophobicContact CG1-CG2 4.2Å; V478-V482 WeakPolarHBondContact O-CB 3.5Å; V478-V482 WeakPolarHBondContact O-CG2 3.41Å; V478-V482 PolarHBondContact O-N 2.98Å; G479-V482 PolarHBondContact O-N 2.89Å; L480-V482 PolarHBondContact O-N 3.28Å; V482-A486 CarbonylContact O-C 3.59Å; V482-A486 VanDerWaalsContact O-CA 3.3Å; V482-A486 WeakPolarHBondContact O-CA 3.44Å; V482-A486 PolarHBondContact O-N 2.96Å; V482-L487 HydrophobicContact CB-CB 4.35Å; V482-L487 HydrophobicContact CG1-CB 4.24Å; V482-L487 HydrophobicContact CG2-CB 4.24Å; V482-L487 HydrophobicContact CG2-CD2 4.02Å; V482-L487 PolarHBondContact O-N 2.97Å; V482-I490 HydrophobicContact CG1-CD1 4.42Å; V482-I490 HydrophobicContact CG2-CD1 3.8Å; V482-I490 HydrophobicContact CG2-CG1 3.98Å
483	T	94.8	Very high	96.3	Very high	33 Å²	33	20.9 Å²	20.9	20%	0.202	10%	0.1	C	C	.	.	H	α-helix	trans	-76.4	-34.8	179.6	61.8	0	0	0	0	112.9	K163 M200 G479 L480 A481 C485	K163-T483 HydrophobicContact CB-CG2 3.86Å; M200-T483 HydrophobicContact CE-CG2 3.49Å; M200-T483 VanDerWaalsContact CE-CG2 3.49Å; G479-T483 WeakPolarHBondContact O-CG2 3.43Å; G479-T483 PolarHBondContact O-N 3.33Å; G479-T483 VanDerWaalsContact O-N 3.1Å; G479-T483 PolarHBondContact O-OG1 3.08Å; L480-T483 PolarHBondContact O-N 3.03Å; L480-T483 PolarHBondContact O-OG1 3.05Å; L480-T483 VanDerWaalsContact O-OG1 3.12Å; A481-T483 VanDerWaalsContact C-N 3.26Å; A481-T483 PolarHBondContact O-N 3.45Å; T483-C485 VanDerWaalsContact C-N 3.31Å; T483-C485 PolarHBondContact O-N 3.3Å
484	A	96.3	Very high	96.3	Very high	4 Å²	4	20.6 Å²	20.6	3%	0.033	10%	0.1	C	C	.	.	H	α-helix	trans	-66.7	-26.6	179	0	0	0	0	0	114	L480 A481 M535 L546 H556 V557 I560	L480-A484 WeakPolarHBondContact O-CB 3.4Å; L480-A484 PolarHBondContact O-N 2.95Å; A481-A484 PolarHBondContact O-N 3.01Å; A484-M535 HydrophobicContact CB-CE 4.42Å; A484-M535 HydrophobicContact CB-SD 3.71Å; A484-L546 WeakPolarHBondContact O-CD2 2.93Å; A484-H556 PolarHBondContact O-NE2 3.31Å; A484-H556 VanDerWaalsContact O-NE2 3.12Å; A484-V557 HydrophobicContact CB-CG2 4.2Å; A484-I560 HydrophobicContact CB-CD1 3.56Å
485	C	96.4	Very high	96.3	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-119.8	7.8	178.7	72.1	0	0	0	0	114.5	A481 T483 L487 M535 Y539 A544 A545 L546	A481-C485 PolarHBondContact O-N 2.98Å; A481-C485 PolarHBondContact O-SG 2.64Å; T483-C485 VanDerWaalsContact C-N 3.31Å; T483-C485 PolarHBondContact O-N 3.3Å; C485-L487 PolarHBondContact O-N 3.09Å; C485-M535 HydrophobicContact CB-CE 4.09Å; C485-M535 HydrophobicContact CB-CG 4Å; C485-Y539 HydrophobicContact CB-CE2 4.09Å; C485-A544 HydrophobicContact CB-CB 3.97Å; C485-A545 PolarHBondContact O-N 3.48Å; C485-L546 PolarHBondContact O-N 2.98Å
486	A	95.2	Very high	96.3	Very high	15 Å²	15	21 Å²	21	12%	0.124	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.1	54.9	-175.4	0	0	0	0	0	112	D256 V482 A545 L546	D256-A486 HydrophobicContact CB-CB 4.13Å; V482-A486 CarbonylContact O-C 3.59Å; V482-A486 VanDerWaalsContact O-CA 3.3Å; V482-A486 WeakPolarHBondContact O-CA 3.44Å; V482-A486 PolarHBondContact O-N 2.96Å; A486-A545 HydrophobicContact CB-CB 4.07Å; A486-A545 WeakPolarHBondContact O-CB 3.24Å; A486-A545 PolarHBondContact O-N 3.13Å; A486-L546 HydrophobicContact CB-CB 4.48Å
487	L	94.5	Very high	96.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.103	C	C	.	.	B	Isolated β-bridge	trans	-65.4	133.5	179.1	-159	72.2	0	0	0	109.9	C281 V482 C485 H489 I490 V494 A538 M543	C281-L487 PolarHBondContact SG-O 2.99Å; V482-L487 HydrophobicContact CB-CB 4.35Å; V482-L487 HydrophobicContact CG1-CB 4.24Å; V482-L487 HydrophobicContact CG2-CB 4.24Å; V482-L487 HydrophobicContact CG2-CD2 4.02Å; V482-L487 PolarHBondContact O-N 2.97Å; C485-L487 PolarHBondContact O-N 3.09Å; L487-H489 WeakPolarHBondContact CD2-O 3.4Å; L487-I490 HydrophobicContact CD2-CG1 4.37Å; L487-V494 HydrophobicContact CD2-CG2 4.09Å; L487-A538 HydrophobicContact CD1-CB 3.5Å; L487-A538 VanDerWaalsContact CD1-CB 3.5Å; L487-M543 HydrophobicContact CD1-CB 3.64Å; L487-M543 HydrophobicContact CD1-CE 4.42Å
488	R	88.1	Confident	96.4	Very high	162 Å²	162	21.3 Å²	21.3	61%	0.611	10%	0.103	S	C	*	.	S	Bend	trans	-86.2	-36.6	-175.8	-66.2	-175.8	178.9	-175	0.2	114.2	Y280 C281 A545	Y280-R488 CarbonylContact C-O 3.47Å; C281-R488 WeakPolarHBondContact CA-O 3.43Å; C281-R488 PolarHBondContact N-O 3.38Å; R488-A545 HydrophobicContact CG-CB 4.46Å
489	H	93	Very high	96.4	Very high	69 Å²	69	21.3 Å²	21.3	32%	0.319	10%	0.103	S	C	.	.			trans	-139.5	143	-178.4	-58.2	-58.5	0	0	0	109	R277 N278 L487 M543	R277-H489 PolarHBondContact O-ND1 3.23Å; N278-H489 VanDerWaalsContact C-CE1 3.47Å; N278-H489 PolarHBondContact O-CE1 2.92Å; N278-H489 VanDerWaalsContact O-CE1 3.3Å; L487-H489 WeakPolarHBondContact CD2-O 3.4Å; H489-M543 WeakPolarHBondContact O-CE 3.49Å
490	I	96.9	Very high	96.4	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.01	11%	0.113	C	C	.	.			trans	-110.3	99	-177.2	-48.7	171.8	0	0	0	107.4	L258 F283 V482 L487 V494 F495	L258-I490 HydrophobicContact CD1-CD1 3.64Å; F283-I490 HydrophobicContact CB-CD1 4.25Å; F283-I490 HydrophobicContact CD1-CD1 3.62Å; F283-I490 HydrophobicContact CE1-CD1 4.45Å; F283-I490 HydrophobicContact CG-CD1 4.37Å; V482-I490 HydrophobicContact CG1-CD1 4.42Å; V482-I490 HydrophobicContact CG2-CD1 3.8Å; V482-I490 HydrophobicContact CG2-CG1 3.98Å; L487-I490 HydrophobicContact CD2-CG1 4.37Å; I490-V494 HydrophobicContact CG2-CB 4.14Å; I490-V494 HydrophobicContact CG2-CG1 4.02Å; I490-F495 HydrophobicContact CB-CE2 4.47Å; I490-F495 HydrophobicContact CG2-CD2 4.17Å; I490-F495 HydrophobicContact CG2-CE2 3.4Å; I490-F495 VanDerWaalsContact CG2-CE2 3.4Å; I490-F495 HydrophobicContact CG2-CZ 3.86Å
491	T	95.6	Very high	96.5	Very high	35 Å²	35	23.5 Å²	23.5	22%	0.215	11%	0.114	C	C	.	.			trans	-83.9	165.1	-179.8	59.1	0	0	0	0	111.2	D493 V494 F495 M543	T491-D493 PolarHBondContact O-N 3.36Å; T491-V494 WeakPolarHBondContact O-CB 3.21Å; T491-V494 PolarHBondContact O-N 3.11Å; T491-F495 WeakPolarHBondContact O-CD2 3.48Å; T491-M543 HydrophobicContact CG2-CE 3.99Å
492	E	95.9	Very high	96.5	Very high	44 Å²	44	23.5 Å²	23.5	21%	0.206	11%	0.114	C	C	.	.	H	α-helix	trans	-59	-31.2	172.3	-74.1	71.6	-160.1	0	0	112.1	R277 L329 M332 V494 F495 L496	R277-E492 IonicContact CZ-OE1 2.81Å; R277-E492 IonicContact CZ-OE2 3.81Å; R277-E492 IonicContact NH1-OE1 3.94Å; R277-E492 PolarHBondContact NH1-OE1 2.84Å; R277-E492 IonicContact NH1-OE2 2.7Å; R277-E492 IonicContact NH2-OE1 3.12Å; R277-E492 PolarHBondContact NH2-OE1 2.88Å; R277-E492 IonicContact NH2-OE2 3.91Å; R277-E492 PolarHBondContact NH2-OE2 3.02Å; L329-E492 HydrophobicContact CD1-CB 4.33Å; M332-E492 HydrophobicContact CE-CB 3.59Å; M332-E492 HydrophobicContact SD-CB 3.27Å; M332-E492 WeakPolarHBondContact SD-CB 3.23Å; M332-E492 HydrophobicContact SD-CG 3.91Å; E492-V494 PolarHBondContact O-N 3.44Å; E492-F495 CarbonylContact O-C 3.55Å; E492-F495 WeakPolarHBondContact O-CA 3.47Å; E492-F495 WeakPolarHBondContact O-CB 3.25Å; E492-F495 PolarHBondContact O-N 3.35Å; E492-L496 PolarHBondContact O-N 3.42Å
493	D	96.9	Very high	96.6	Very high	67 Å²	67	23.8 Å²	23.8	36%	0.358	12%	0.116	S	C	.	.	H	α-helix	trans	-60.4	-31.6	175.3	-62.5	-80.8	0	0	0	112.8	T491 F495 L496 T497 Y537	T491-D493 PolarHBondContact O-N 3.36Å; D493-F495 VanDerWaalsContact C-N 3.33Å; D493-L496 PolarHBondContact O-N 3.25Å; D493-T497 VanDerWaalsContact O-CB 3.26Å; D493-T497 WeakPolarHBondContact O-CB 3.46Å; D493-T497 PolarHBondContact O-N 3.41Å; D493-T497 PolarHBondContact O-OG1 3.15Å; D493-Y537 HydrophobicContact CB-CE1 4.13Å; D493-Y537 HydrophobicContact CB-CE2 4.23Å; D493-Y537 WeakPolarHBondContact CB-OH 3.35Å
494	V	98	Very high	96.7	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-64.4	-42.1	173	175.4	0	0	0	0	110	L487 I490 T491 E492 T497 A498 I534 Y537 M543	L487-V494 HydrophobicContact CD2-CG2 4.09Å; I490-V494 HydrophobicContact CG2-CB 4.14Å; I490-V494 HydrophobicContact CG2-CG1 4.02Å; T491-V494 WeakPolarHBondContact O-CB 3.21Å; T491-V494 PolarHBondContact O-N 3.11Å; E492-V494 PolarHBondContact O-N 3.44Å; V494-T497 PolarHBondContact O-N 2.93Å; V494-A498 WeakPolarHBondContact O-CB 3.46Å; V494-A498 PolarHBondContact O-N 2.89Å; V494-I534 HydrophobicContact CG1-CD1 4.13Å; V494-I534 HydrophobicContact CG1-CG1 4.33Å; V494-I534 HydrophobicContact CG1-CG2 3.76Å; V494-Y537 HydrophobicContact CG2-CD1 4.49Å; V494-Y537 HydrophobicContact CG2-CE1 4.37Å; V494-M543 HydrophobicContact CG2-CE 4.29Å
495	F	98.6	Very high	96.8	Very high	3 Å²	3	29.5 Å²	29.5	1%	0.013	14%	0.144	C	C	.	.	H	α-helix	trans	-71.9	-34.8	177.6	-73.3	-75.9	0	0	0	112.9	F283 Q288 A292 L329 I474 V478 I490 T491 E492 D493 A498 A499	F283-F495 HydrophobicContact CB-CE2 4.02Å; F283-F495 HydrophobicContact CB-CZ 3.68Å; F283-F495 HydrophobicContact CD1-CZ 4.44Å; F283-F495 HydrophobicContact CD2-CE1 4.14Å; F283-F495 AromaticContact CD2-CZ 3.6Å; F283-F495 HydrophobicContact CD2-CZ 3.6Å; F283-F495 HydrophobicContact CE2-CE1 4.47Å; F283-F495 HydrophobicContact CE2-CZ 4.31Å; F283-F495 HydrophobicContact CG-CE2 4.5Å; F283-F495 AromaticContact CG-CZ 3.68Å; F283-F495 HydrophobicContact CG-CZ 3.68Å; Q288-F495 HydrophobicContact CB-CD1 4.05Å; Q288-F495 HydrophobicContact CB-CD2 3.81Å; Q288-F495 HydrophobicContact CB-CE1 3.82Å; Q288-F495 HydrophobicContact CB-CE2 3.56Å; Q288-F495 HydrophobicContact CB-CG 4.05Å; Q288-F495 HydrophobicContact CB-CZ 3.58Å; Q288-F495 HydrophobicContact CG-CD2 4.37Å; Q288-F495 HydrophobicContact CG-CE2 4.11Å; Q288-F495 VanDerWaalsContact NE2-CE2 3.25Å; Q288-F495 WeakPolarHBondContact O-CD1 3.33Å; A292-F495 HydrophobicContact CB-CB 4.11Å; A292-F495 HydrophobicContact CB-CD1 3.97Å; L329-F495 HydrophobicContact CD1-CB 4.4Å; L329-F495 HydrophobicContact CD2-CB 4.39Å; I474-F495 HydrophobicContact CG2-CD1 4.2Å; I474-F495 HydrophobicContact CG2-CE1 4.3Å; V478-F495 HydrophobicContact CG1-CE1 4.36Å; V478-F495 HydrophobicContact CG1-CZ 4.44Å; V478-F495 HydrophobicContact CG2-CE1 4.33Å; I490-F495 HydrophobicContact CB-CE2 4.47Å; I490-F495 HydrophobicContact CG2-CD2 4.17Å; I490-F495 HydrophobicContact CG2-CE2 3.4Å; I490-F495 VanDerWaalsContact CG2-CE2 3.4Å; I490-F495 HydrophobicContact CG2-CZ 3.86Å; T491-F495 WeakPolarHBondContact O-CD2 3.48Å; E492-F495 CarbonylContact O-C 3.55Å; E492-F495 WeakPolarHBondContact O-CA 3.47Å; E492-F495 WeakPolarHBondContact O-CB 3.25Å; E492-F495 PolarHBondContact O-N 3.35Å; D493-F495 VanDerWaalsContact C-N 3.33Å; F495-A498 WeakPolarHBondContact O-CB 3.41Å; F495-A498 PolarHBondContact O-N 2.63Å; F495-A499 WeakPolarHBondContact O-CB 3.37Å; F495-A499 PolarHBondContact O-N 3.48Å
496	L	98.4	Very high	96.8	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.021	15%	0.145	C	C	.	.	H	α-helix	trans	-66.2	-43.3	172.5	-176.6	57.9	0	0	0	110.3	V295 L329 M332 A333 K336 E492 D493 A498 A499 E500	V295-L496 HydrophobicContact CG1-CD1 4.2Å; L329-L496 HydrophobicContact CD1-CB 3.77Å; L329-L496 HydrophobicContact CD1-CD1 4.46Å; L329-L496 HydrophobicContact CG-CB 4.5Å; L329-L496 HydrophobicContact CG-CD1 4.38Å; M332-L496 HydrophobicContact CB-CD2 4.23Å; A333-L496 HydrophobicContact CB-CD1 4Å; K336-L496 HydrophobicContact CD-CD2 4.09Å; E492-L496 PolarHBondContact O-N 3.42Å; D493-L496 PolarHBondContact O-N 3.25Å; L496-A498 VanDerWaalsContact C-N 3.3Å; L496-A498 PolarHBondContact O-N 2.85Å; L496-A499 WeakPolarHBondContact O-CB 3.45Å; L496-A499 PolarHBondContact O-N 2.86Å; L496-E500 WeakPolarHBondContact O-CG 3.4Å; L496-E500 PolarHBondContact O-N 3.43Å
497	T	98.5	Very high	97	Very high	8 Å²	8	32.2 Å²	32.2	5%	0.049	16%	0.159	C	C	.	.	H	α-helix	trans	-61.4	-40.3	174.1	-58.6	0	0	0	0	111.2	D493 V494 E500 A501 K533 I534 Y537	D493-T497 VanDerWaalsContact O-CB 3.26Å; D493-T497 WeakPolarHBondContact O-CB 3.46Å; D493-T497 PolarHBondContact O-N 3.41Å; D493-T497 PolarHBondContact O-OG1 3.15Å; V494-T497 PolarHBondContact O-N 2.93Å; T497-E500 PolarHBondContact O-N 3.43Å; T497-A501 WeakPolarHBondContact O-CB 3.08Å; T497-A501 PolarHBondContact O-N 3.31Å; T497-K533 HydrophobicContact CG2-CG 3.92Å; T497-I534 HydrophobicContact CG2-CG1 4.41Å; T497-Y537 HydrophobicContact CG2-CG 4.43Å
498	A	98.5	Very high	97.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.9	-43	174.5	0	0	0	0	0	111.7	I474 V478 V494 F495 L496 A501 L502 L530 I534	I474-A498 HydrophobicContact CD1-CB 4.35Å; V478-A498 HydrophobicContact CG2-CB 4.01Å; V494-A498 WeakPolarHBondContact O-CB 3.46Å; V494-A498 PolarHBondContact O-N 2.89Å; F495-A498 WeakPolarHBondContact O-CB 3.41Å; F495-A498 PolarHBondContact O-N 2.63Å; L496-A498 VanDerWaalsContact C-N 3.3Å; L496-A498 PolarHBondContact O-N 2.85Å; A498-A501 PolarHBondContact O-N 2.97Å; A498-L502 WeakPolarHBondContact O-CB 3.23Å; A498-L502 PolarHBondContact O-N 3.06Å; A498-L530 HydrophobicContact CB-CD1 4.11Å; A498-L530 HydrophobicContact CB-CD2 4.11Å; A498-L530 HydrophobicContact CB-CG 4.22Å; A498-L530 WeakPolarHBondContact O-CD1 3.45Å; A498-I534 HydrophobicContact CB-CD1 3.98Å
499	A	98.7	Very high	97.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63.2	-44	178.2	0	0	0	0	0	112.2	A292 V295 A296 L299 F495 L496 L502 A503	A292-A499 HydrophobicContact CB-CB 4.43Å; A292-A499 WeakPolarHBondContact O-CB 3.47Å; V295-A499 HydrophobicContact CB-CB 4.12Å; V295-A499 HydrophobicContact CG1-CB 3.97Å; A296-A499 HydrophobicContact CB-CB 4.16Å; A296-A499 VanDerWaalsContact CB-O 3.28Å; A296-A499 WeakPolarHBondContact CB-O 3.34Å; L299-A499 HydrophobicContact CD1-CB 4.49Å; F495-A499 WeakPolarHBondContact O-CB 3.37Å; F495-A499 PolarHBondContact O-N 3.48Å; L496-A499 WeakPolarHBondContact O-CB 3.45Å; L496-A499 PolarHBondContact O-N 2.86Å; A499-L502 PolarHBondContact O-N 3.18Å; A499-A503 WeakPolarHBondContact O-CB 3.3Å; A499-A503 PolarHBondContact O-N 3.14Å
500	E	98.4	Very high	97.7	Very high	44 Å²	44	34.7 Å²	34.7	21%	0.206	18%	0.176	C	C	.	.	H	α-helix	trans	-62	-47.7	174.2	-71	172.2	171.3	0	0	111.3	L299 K336 L496 T497 L502 A503 D504	L299-E500 HydrophobicContact CD1-CB 4.5Å; L299-E500 HydrophobicContact CD1-CG 3.8Å; K336-E500 WeakPolarHBondContact CD-OE1 3.33Å; K336-E500 WeakPolarHBondContact CE-OE1 3.26Å; K336-E500 IonicContact NZ-OE1 2.67Å; K336-E500 PolarHBondContact NZ-OE1 3.37Å; K336-E500 IonicContact NZ-OE2 3.44Å; K336-E500 PolarHBondContact NZ-OE2 2.97Å; L496-E500 WeakPolarHBondContact O-CG 3.4Å; L496-E500 PolarHBondContact O-N 3.43Å; T497-E500 PolarHBondContact O-N 3.43Å; E500-L502 VanDerWaalsContact C-N 3.27Å; E500-L502 PolarHBondContact O-N 3.27Å; E500-A503 PolarHBondContact O-N 3.15Å; E500-D504 WeakPolarHBondContact O-CB 3.43Å; E500-D504 VanDerWaalsContact O-CG 3.29Å; E500-D504 PolarHBondContact O-N 3.43Å
501	A	98.3	Very high	97.7	Very high	4 Å²	4	35.3 Å²	35.3	3%	0.033	18%	0.179	C	C	.	.	H	α-helix	trans	-59.7	-38.8	178.9	0	0	0	0	0	112.5	T497 A498 Q505 L530 K533	T497-A501 WeakPolarHBondContact O-CB 3.08Å; T497-A501 PolarHBondContact O-N 3.31Å; A498-A501 PolarHBondContact O-N 2.97Å; A501-Q505 WeakPolarHBondContact O-CG 3.34Å; A501-L530 HydrophobicContact CB-CB 4.28Å; A501-L530 HydrophobicContact CB-CG 4.16Å; A501-K533 HydrophobicContact CB-CB 3.99Å; A501-K533 HydrophobicContact CB-CG 3.95Å
502	L	98.5	Very high	97.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-68	-46.2	175.4	177	57.9	0	0	0	111.7	V293 A296 Y473 I474 A498 A499 E500 D504 Q505 Y517 P518 V526 L530	V293-L502 HydrophobicContact CG2-CD2 4.31Å; A296-L502 HydrophobicContact CB-CB 3.91Å; A296-L502 HydrophobicContact CB-CD2 3.57Å; A296-L502 HydrophobicContact CB-CG 3.82Å; Y473-L502 HydrophobicContact CD1-CD1 3.85Å; Y473-L502 HydrophobicContact CG-CD1 4.04Å; Y473-L502 HydrophobicContact CG-CD2 4.19Å; I474-L502 HydrophobicContact CD1-CB 4.47Å; I474-L502 HydrophobicContact CD1-CD2 3.74Å; I474-L502 HydrophobicContact CG1-CD2 4.45Å; A498-L502 WeakPolarHBondContact O-CB 3.23Å; A498-L502 PolarHBondContact O-N 3.06Å; A499-L502 PolarHBondContact O-N 3.18Å; E500-L502 VanDerWaalsContact C-N 3.27Å; E500-L502 PolarHBondContact O-N 3.27Å; L502-D504 VanDerWaalsContact C-N 3.26Å; L502-D504 PolarHBondContact O-N 2.9Å; L502-Q505 WeakPolarHBondContact O-CB 3.27Å; L502-Q505 PolarHBondContact O-N 3.01Å; L502-Y517 HydrophobicContact CD2-CD1 4.2Å; L502-Y517 HydrophobicContact CD2-CE1 4.49Å; L502-P518 HydrophobicContact CD1-CG 4.06Å; L502-V526 HydrophobicContact CD1-CG1 3.58Å; L502-L530 HydrophobicContact CB-CD1 4.29Å
503	A	98.3	Very high	97.6	Very high	5 Å²	5	37.9 Å²	37.9	4%	0.041	20%	0.203	C	C	.	.	H	α-helix	trans	-61.8	-34.6	178	0	0	0	0	0	112.3	L299 R303 A499 E500 Q505 V506	L299-A503 HydrophobicContact CB-CB 3.7Å; L299-A503 HydrophobicContact CD1-CB 4.37Å; R303-A503 PolarHBondContact NH1-O 2.92Å; A499-A503 WeakPolarHBondContact O-CB 3.3Å; A499-A503 PolarHBondContact O-N 3.14Å; E500-A503 PolarHBondContact O-N 3.15Å; A503-Q505 PolarHBondContact O-N 2.69Å; A503-V506 WeakPolarHBondContact O-CB 3.36Å; A503-V506 PolarHBondContact O-N 3.12Å
504	D	97.8	Very high	97.5	Very high	109 Å²	109	35.2 Å²	35.2	58%	0.583	19%	0.192	S	C	*	.	H	α-helix	trans	-66	-21.9	175.2	-74.6	-14.7	0	0	0	113	E500 L502 V506	E500-D504 WeakPolarHBondContact O-CB 3.43Å; E500-D504 VanDerWaalsContact O-CG 3.29Å; E500-D504 PolarHBondContact O-N 3.43Å; L502-D504 VanDerWaalsContact C-N 3.26Å; L502-D504 PolarHBondContact O-N 2.9Å; D504-V506 VanDerWaalsContact C-N 3.32Å
505	Q	97.8	Very high	97.4	Very high	48 Å²	48	38.1 Å²	38.1	22%	0.224	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-10	175.5	-61.5	-40.9	-69	0	0	113.5	A501 L502 A503 T507 P518 V526	A501-Q505 WeakPolarHBondContact O-CG 3.34Å; L502-Q505 WeakPolarHBondContact O-CB 3.27Å; L502-Q505 PolarHBondContact O-N 3.01Å; A503-Q505 PolarHBondContact O-N 2.69Å; Q505-T507 PolarHBondContact O-N 2.83Å; Q505-P518 HydrophobicContact CB-CG 3.59Å; Q505-V526 HydrophobicContact CB-CG2 4.23Å; Q505-V526 HydrophobicContact CG-CG1 4.27Å; Q505-V526 HydrophobicContact CG-CG2 4.23Å
506	V	97.9	Very high	97.4	Very high	4 Å²	4	38 Å²	38	2%	0.024	20%	0.202	C	C	.	.			trans	-78.4	118.3	178.6	-174.6	0	0	0	0	109.3	A300 R303 A503 D504 D510 L511 P518	A300-V506 HydrophobicContact CB-CG2 4.21Å; R303-V506 PolarHBondContact NH1-O 2.86Å; R303-V506 PolarHBondContact NH2-O 3.12Å; A503-V506 WeakPolarHBondContact O-CB 3.36Å; A503-V506 PolarHBondContact O-N 3.12Å; D504-V506 VanDerWaalsContact C-N 3.32Å; V506-D510 HydrophobicContact CG1-CB 3.76Å; V506-L511 HydrophobicContact CG1-CD2 3.64Å; V506-L511 HydrophobicContact CG1-CG 3.95Å; V506-P518 HydrophobicContact CG2-CG 4.23Å
507	T	97.6	Very high	97.3	Very high	69 Å²	69	37.9 Å²	37.9	42%	0.423	20%	0.202	S	C	.	.			trans	-81.2	162.5	-179.2	71.1	0	0	0	0	111.9	Q505 K509 D510 L511	Q505-T507 PolarHBondContact O-N 2.83Å; T507-K509 PolarHBondContact O-N 3.23Å; T507-K509 PolarHBondContact OG1-N 3.31Å; T507-D510 WeakPolarHBondContact CB-OD2 3.26Å; T507-D510 WeakPolarHBondContact CG2-OD2 3.44Å; T507-D510 PolarHBondContact N-OD2 3.33Å; T507-D510 WeakPolarHBondContact O-CB 3.35Å; T507-D510 PolarHBondContact O-N 3.33Å; T507-D510 VanDerWaalsContact O-N 3.09Å; T507-D510 PolarHBondContact OG1-N 3.24Å; T507-D510 PolarHBondContact OG1-OD2 2.95Å; T507-L511 PolarHBondContact O-N 3.3Å; T507-L511 VanDerWaalsContact O-N 3.1Å
508	E	97.5	Very high	97.2	Very high	129 Å²	129	37.8 Å²	37.8	60%	0.603	20%	0.201	S	C	*	.	H	α-helix	trans	-60.5	-29.8	172.4	-66.9	-58.1	133.9	0	0	112.4	R303 A512	R303-E508 IonicContact CZ-OE1 3.76Å; R303-E508 IonicContact NE-OE1 3.88Å; R303-E508 IonicContact NH2-OE1 3.73Å; R303-E508 PolarHBondContact NH2-OE1 2.82Å; E508-A512 WeakPolarHBondContact O-CB 3.32Å; E508-A512 PolarHBondContact O-N 3.48Å
509	K	96.4	Very high	97	Very high	141 Å²	141	39.6 Å²	39.6	61%	0.613	21%	0.213	S	C	*	.	H	α-helix	trans	-64.6	-45	173.1	-178.9	-174.2	169.8	-171.7	0	110.9	T507 L511 A512 E513	T507-K509 PolarHBondContact O-N 3.23Å; T507-K509 PolarHBondContact OG1-N 3.31Å; K509-L511 VanDerWaalsContact C-N 3.34Å; K509-L511 PolarHBondContact O-N 3Å; K509-A512 PolarHBondContact O-N 3.12Å; K509-E513 WeakPolarHBondContact CE-OE1 3.19Å; K509-E513 IonicContact NZ-OE1 3.14Å; K509-E513 PolarHBondContact O-N 3.13Å
510	D	96.8	Very high	96.7	Very high	12 Å²	12	40.8 Å²	40.8	6%	0.064	22%	0.219	C	C	.	.	H	α-helix	trans	-59.6	-46.6	177.8	-61.4	-46.9	0	0	0	110.7	V506 T507 A512 E513 G514 R515	V506-D510 HydrophobicContact CG1-CB 3.76Å; T507-D510 WeakPolarHBondContact CB-OD2 3.26Å; T507-D510 WeakPolarHBondContact CG2-OD2 3.44Å; T507-D510 PolarHBondContact N-OD2 3.33Å; T507-D510 WeakPolarHBondContact O-CB 3.35Å; T507-D510 PolarHBondContact O-N 3.33Å; T507-D510 VanDerWaalsContact O-N 3.09Å; T507-D510 PolarHBondContact OG1-N 3.24Å; T507-D510 PolarHBondContact OG1-OD2 2.95Å; D510-A512 PolarHBondContact O-N 3.44Å; D510-E513 CarbonylContact O-C 3.58Å; D510-E513 PolarHBondContact O-N 3.39Å; D510-G514 PolarHBondContact O-N 2.89Å; D510-R515 HydrophobicContact CB-CB 4.01Å; D510-R515 VanDerWaalsContact O-CB 3.32Å; D510-R515 WeakPolarHBondContact O-CB 3.23Å; D510-R515 PolarHBondContact O-N 3.29Å
511	L	97.1	Very high	96.4	Very high	16 Å²	16	43.5 Å²	43.5	8%	0.084	24%	0.241	C	C	.	.	H	α-helix	trans	-62.7	-40.1	177.2	-63.3	-179	0	0	0	112.6	A300 R303 I304 V506 T507 K509 E513 G514 L516	A300-L511 HydrophobicContact CB-CD2 4.32Å; R303-L511 HydrophobicContact CB-CD1 3.84Å; I304-L511 HydrophobicContact CD1-CD2 4.05Å; I304-L511 HydrophobicContact CG1-CB 4.31Å; I304-L511 HydrophobicContact CG1-CD1 4.44Å; I304-L511 HydrophobicContact CG1-CD2 4.06Å; V506-L511 HydrophobicContact CG1-CD2 3.64Å; V506-L511 HydrophobicContact CG1-CG 3.95Å; T507-L511 PolarHBondContact O-N 3.3Å; T507-L511 VanDerWaalsContact O-N 3.1Å; K509-L511 VanDerWaalsContact C-N 3.34Å; K509-L511 PolarHBondContact O-N 3Å; L511-E513 PolarHBondContact O-N 3.33Å; L511-G514 PolarHBondContact O-N 3.22Å; L511-L516 HydrophobicContact CD2-CD2 4.41Å
512	A	94.8	Very high	96.2	Very high	85 Å²	85	45.1 Å²	45.1	70%	0.702	25%	0.252	S	S	*	.	H	α-helix	trans	-64.2	-31.1	177	0	0	0	0	0	112.5	E508 K509 D510 G514	E508-A512 WeakPolarHBondContact O-CB 3.32Å; E508-A512 PolarHBondContact O-N 3.48Å; K509-A512 PolarHBondContact O-N 3.12Å; D510-A512 PolarHBondContact O-N 3.44Å; A512-G514 VanDerWaalsContact C-N 3.26Å
513	E	94.6	Very high	96.1	Very high	47 Å²	47	45.3 Å²	45.3	22%	0.22	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-1.2	172.5	-73.1	179.4	-163.5	0	0	113.2	F464 H465 K509 D510 L511 R515	F464-E513 CarbonylContact C-O 3.36Å; F464-E513 WeakPolarHBondContact CA-O 3.48Å; H465-E513 IonicContact CD2-OE2 2.74Å; H465-E513 PolarHBondContact N-O 3.11Å; K509-E513 WeakPolarHBondContact CE-OE1 3.19Å; K509-E513 IonicContact NZ-OE1 3.14Å; K509-E513 PolarHBondContact O-N 3.13Å; D510-E513 CarbonylContact O-C 3.58Å; D510-E513 PolarHBondContact O-N 3.39Å; L511-E513 PolarHBondContact O-N 3.33Å; E513-R515 HydrophobicContact CB-CG 4.28Å; E513-R515 IonicContact OE2-CZ 2.78Å; E513-R515 IonicContact OE2-NE 3.46Å; E513-R515 PolarHBondContact OE2-NE 3.01Å; E513-R515 IonicContact OE2-NH2 4Å; E513-R515 PolarHBondContact OE2-NH2 3.15Å
514	G	94.4	Very high	96	Very high	12 Å²	12	48.7 Å²	48.7	12%	0.124	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.1	12.5	-178.3	0	0	0	0	0	115.1	D510 L511 A512	D510-G514 PolarHBondContact O-N 2.89Å; L511-G514 PolarHBondContact O-N 3.22Å; A512-G514 VanDerWaalsContact C-N 3.26Å
515	R	96.4	Very high	96	Very high	60 Å²	60	46.7 Å²	46.7	23%	0.226	25%	0.252	C	S	.	.			trans	-83.1	134.6	177	-55.3	174.1	-169.8	-87.1	-0.1	110.1	H465 D510 E513	H465-R515 HydrophobicContact CB-CG 3.92Å; H465-R515 PolarHBondContact ND1-NH2 3.17Å; H465-R515 VanDerWaalsContact O-CG 3.26Å; H465-R515 WeakPolarHBondContact O-CG 3.36Å; D510-R515 HydrophobicContact CB-CB 4.01Å; D510-R515 VanDerWaalsContact O-CB 3.32Å; D510-R515 WeakPolarHBondContact O-CB 3.23Å; D510-R515 PolarHBondContact O-N 3.29Å; E513-R515 HydrophobicContact CB-CG 4.28Å; E513-R515 IonicContact OE2-CZ 2.78Å; E513-R515 IonicContact OE2-NE 3.46Å; E513-R515 PolarHBondContact OE2-NE 3.01Å; E513-R515 IonicContact OE2-NH2 4Å; E513-R515 PolarHBondContact OE2-NH2 3.15Å
516	L	97.9	Very high	96	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.243	C	C	.	.	S	Bend	trans	-103.2	0.2	173.4	-60.9	-178.9	0	0	0	113.5	A300 A301 I304 F421 I446 A448 L511	A300-L516 HydrophobicContact CB-CB 4.34Å; A300-L516 HydrophobicContact CB-CD2 4.25Å; A300-L516 WeakPolarHBondContact CB-O 3.49Å; A301-L516 HydrophobicContact CB-CD1 4.36Å; A301-L516 HydrophobicContact CB-CD2 4.12Å; I304-L516 HydrophobicContact CD1-CD2 3.82Å; F421-L516 HydrophobicContact CE1-CD1 3.38Å; F421-L516 HydrophobicContact CZ-CD1 3.65Å; I446-L516 HydrophobicContact CG2-CD1 3.54Å; I446-L516 HydrophobicContact CG2-CD2 3.72Å; I446-L516 HydrophobicContact CG2-CG 4.08Å; A448-L516 HydrophobicContact CB-CD1 3.98Å; L511-L516 HydrophobicContact CD2-CD2 4.41Å
517	Y	97.7	Very high	96	Very high	3 Å²	3	44.4 Å²	44.4	1%	0.012	24%	0.242	C	C	.	.	S	Bend	trans	-136	153.4	179.5	-55.8	-77.9	0	0	0	108.6	V293 A296 A448 Q468 G469 Y473 L502	V293-Y517 HydrophobicContact CG2-CD1 4.25Å; V293-Y517 HydrophobicContact CG2-CE1 3.59Å; V293-Y517 VanDerWaalsContact O-CE1 3.31Å; V293-Y517 WeakPolarHBondContact O-CE1 3.39Å; V293-Y517 PolarHBondContact O-OH 3.32Å; V293-Y517 VanDerWaalsContact O-OH 3.1Å; A296-Y517 HydrophobicContact CB-CE1 4.45Å; A448-Y517 HydrophobicContact CB-CE2 3.88Å; Q468-Y517 WeakPolarHBondContact O-CD2 3.49Å; G469-Y517 VanDerWaalsContact CA-CE2 3.45Å; G469-Y517 VanDerWaalsContact CA-CZ 3.46Å; Y473-Y517 HydrophobicContact CD2-CD1 4.49Å; Y473-Y517 HydrophobicContact CE2-CG 4.38Å; L502-Y517 HydrophobicContact CD2-CD1 4.2Å; L502-Y517 HydrophobicContact CD2-CE1 4.49Å
518	P	96.2	Very high	96	Very high	5 Å²	5	41.6 Å²	41.6	3%	0.032	22%	0.224	C	C	.	.			trans	-59.3	160.2	173.3	-20.6	33.7	0	0	0	111.1	Y473 L502 Q505 V506 V526	Y473-P518 PolarHBondContact OH-O 2.69Å; L502-P518 HydrophobicContact CD1-CG 4.06Å; Q505-P518 HydrophobicContact CB-CG 3.59Å; V506-P518 HydrophobicContact CG2-CG 4.23Å; P518-V526 HydrophobicContact CB-CG2 3.93Å; P518-V526 HydrophobicContact CG-CG2 3.95Å
519	P	93.6	Very high	96	Very high	39 Å²	39	39 Å²	39	25%	0.253	21%	0.211	S	C	.	.			trans	-58.6	139.8	170.6	-25	35.5	0	0	0	112.1	C521 S522	P519-C521 PolarHBondContact O-N 2.71Å; P519-S522 WeakPolarHBondContact O-CB 3.49Å; P519-S522 PolarHBondContact O-N 2.87Å; P519-S522 PolarHBondContact O-OG 3.36Å
520	L	91.8	Very high	96	Very high	25 Å²	25	32.3 Å²	32.3	13%	0.131	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-61.6	-32.4	-177.5	-84.7	173.2	0	0	0	112	V111 E112 M115 Y473 S522 I523	V111-L520 HydrophobicContact CG1-CB 4.46Å; V111-L520 VanDerWaalsContact CG1-O 3.23Å; V111-L520 WeakPolarHBondContact CG1-O 3.33Å; E112-L520 HydrophobicContact CG-CB 3.39Å; E112-L520 HydrophobicContact CG-CD1 4Å; E112-L520 HydrophobicContact CG-CG 4.34Å; E112-L520 WeakPolarHBondContact OE1-CB 3.49Å; E112-L520 PolarHBondContact OE1-N 2.72Å; M115-L520 HydrophobicContact CE-CD1 3.67Å; M115-L520 HydrophobicContact CE-CD2 3.73Å; M115-L520 HydrophobicContact CE-CG 4.38Å; M115-L520 HydrophobicContact SD-CD2 4.38Å; Y473-L520 HydrophobicContact CE1-CD2 4.28Å; Y473-L520 HydrophobicContact CE2-CD2 4.01Å; Y473-L520 WeakPolarHBondContact OH-CD2 3.13Å; Y473-L520 VanDerWaalsContact OH-CG 3.29Å; Y473-L520 WeakPolarHBondContact OH-CG 3.33Å; Y473-L520 PolarHBondContact OH-N 2.88Å; L520-S522 PolarHBondContact O-N 2.69Å; L520-I523 HydrophobicContact CD2-CD1 3.94Å; L520-I523 WeakPolarHBondContact O-CB 3.46Å; L520-I523 WeakPolarHBondContact O-CG2 3.5Å; L520-I523 PolarHBondContact O-N 3.33Å
521	C	92.7	Very high	96.1	Very high	100 Å²	100	31.7 Å²	31.7	68%	0.676	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-56	-20.9	173.4	68	0	0	0	0	114.2	E112 P519	E112-C521 PolarHBondContact OE1-N 3.11Å; P519-C521 PolarHBondContact O-N 2.71Å
522	S	95.1	Very high	96.1	Very high	38 Å²	38	31.4 Å²	31.4	27%	0.266	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-95.6	-0.2	177	73.5	0	0	0	0	114.4	P519 L520 R524 E525 V526	P519-S522 WeakPolarHBondContact O-CB 3.49Å; P519-S522 PolarHBondContact O-N 2.87Å; P519-S522 PolarHBondContact O-OG 3.36Å; L520-S522 PolarHBondContact O-N 2.69Å; S522-R524 PolarHBondContact O-N 3.01Å; S522-E525 WeakPolarHBondContact O-CB 3.42Å; S522-E525 PolarHBondContact O-N 2.98Å; S522-V526 WeakPolarHBondContact O-CG2 3.29Å; S522-V526 PolarHBondContact O-N 3.14Å
523	I	96.3	Very high	96.3	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.021	17%	0.165	C	C	.	.	H	α-helix	trans	-56.3	-29.7	-168.9	-162.7	168.5	0	0	0	114.3	V111 C197 A472 Y473 L520 V526 S527	V111-I523 HydrophobicContact CG1-CG2 4.28Å; V111-I523 HydrophobicContact CG2-CG2 4.3Å; C197-I523 HydrophobicContact CB-CD1 4.19Å; C197-I523 HydrophobicContact CB-CG1 4.23Å; C197-I523 HydrophobicContact CB-CG2 4.02Å; A472-I523 HydrophobicContact CB-CD1 3.94Å; A472-I523 WeakPolarHBondContact O-CD1 3.4Å; Y473-I523 HydrophobicContact CD1-CD1 4.03Å; Y473-I523 HydrophobicContact CD1-CG1 3.83Å; Y473-I523 HydrophobicContact CE1-CB 4.37Å; Y473-I523 HydrophobicContact CE1-CD1 4.12Å; Y473-I523 HydrophobicContact CE1-CG1 3.96Å; Y473-I523 HydrophobicContact CG-CD1 4.46Å; L520-I523 HydrophobicContact CD2-CD1 3.94Å; L520-I523 WeakPolarHBondContact O-CB 3.46Å; L520-I523 WeakPolarHBondContact O-CG2 3.5Å; L520-I523 PolarHBondContact O-N 3.33Å; I523-V526 PolarHBondContact O-N 2.66Å; I523-S527 WeakPolarHBondContact O-CB 3.49Å; I523-S527 PolarHBondContact O-N 3.27Å; I523-S527 PolarHBondContact O-OG 2.94Å
524	R	96.1	Very high	96.5	Very high	76 Å²	76	29.7 Å²	29.7	29%	0.287	15%	0.154	S	C	.	.	H	α-helix	trans	-70.6	-41.4	177.7	-167.5	-179.6	177.7	90.3	1	112.9	T195 A196 C197 G199 S522 S527 L528 Y562	T195-R524 PolarHBondContact O-NH1 3.21Å; A196-R524 PolarHBondContact O-NH1 3.25Å; C197-R524 WeakPolarHBondContact O-CA 3.42Å; G199-R524 VanDerWaalsContact CA-NH1 3.31Å; G199-R524 VanDerWaalsContact CA-NH2 3.32Å; S522-R524 PolarHBondContact O-N 3.01Å; R524-S527 PolarHBondContact O-N 3.29Å; R524-L528 PolarHBondContact O-N 2.86Å; R524-L528 VanDerWaalsContact O-N 3.16Å; R524-Y562 PolarHBondContact NH2-O 2.62Å
525	E	96.8	Very high	96.6	Very high	67 Å²	67	29.1 Å²	29.1	31%	0.313	15%	0.148	S	C	.	.	H	α-helix	trans	-69.7	-38.2	174.3	-175.1	56.7	-151.3	0	0	110.9	S522 L528 K529 R558	S522-E525 WeakPolarHBondContact O-CB 3.42Å; S522-E525 PolarHBondContact O-N 2.98Å; E525-L528 PolarHBondContact O-N 2.81Å; E525-K529 WeakPolarHBondContact O-CG 3.43Å; E525-K529 PolarHBondContact O-N 2.82Å; E525-K529 VanDerWaalsContact O-N 3.08Å; E525-K529 VanDerWaalsContact OE1-CE 3.26Å; E525-K529 WeakPolarHBondContact OE1-CE 3.26Å; E525-R558 VanDerWaalsContact CD-NH2 3.29Å; E525-R558 IonicContact OE1-CZ 3.85Å; E525-R558 IonicContact OE1-NH1 2.64Å; E525-R558 IonicContact OE1-NH2 2.78Å; E525-R558 PolarHBondContact OE1-NH2 3.13Å; E525-R558 IonicContact OE2-CZ 2.65Å; E525-R558 IonicContact OE2-NH1 3.65Å; E525-R558 PolarHBondContact OE2-NH1 2.84Å; E525-R558 IonicContact OE2-NH2 2.71Å; E525-R558 PolarHBondContact OE2-NH2 3.2Å; E525-R558 VanDerWaalsContact OE2-NH2 3.11Å
526	V	97.4	Very high	96.7	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.024	16%	0.156	C	C	.	.	H	α-helix	trans	-58.7	-49.4	172.5	174.3	0	0	0	0	111	Y473 L502 Q505 P518 S522 I523 L528 K529 L530	Y473-V526 HydrophobicContact CD1-CG1 4.36Å; L502-V526 HydrophobicContact CD1-CG1 3.58Å; Q505-V526 HydrophobicContact CB-CG2 4.23Å; Q505-V526 HydrophobicContact CG-CG1 4.27Å; Q505-V526 HydrophobicContact CG-CG2 4.23Å; P518-V526 HydrophobicContact CB-CG2 3.93Å; P518-V526 HydrophobicContact CG-CG2 3.95Å; S522-V526 WeakPolarHBondContact O-CG2 3.29Å; S522-V526 PolarHBondContact O-N 3.14Å; I523-V526 PolarHBondContact O-N 2.66Å; V526-L528 PolarHBondContact O-N 3.05Å; V526-K529 PolarHBondContact O-N 3.38Å; V526-L530 WeakPolarHBondContact O-CB 3.49Å; V526-L530 PolarHBondContact O-N 2.65Å
527	S	98.3	Very high	96.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-59.2	-36.9	179.4	-63	0	0	0	0	112	C197 G477 I523 R524 A531	C197-S527 WeakPolarHBondContact O-CB 3.23Å; C197-S527 PolarHBondContact O-OG 3.48Å; C197-S527 VanDerWaalsContact O-OG 3.13Å; G477-S527 WeakPolarHBondContact CA-O 3.28Å; I523-S527 WeakPolarHBondContact O-CB 3.49Å; I523-S527 PolarHBondContact O-N 3.27Å; I523-S527 PolarHBondContact O-OG 2.94Å; R524-S527 PolarHBondContact O-N 3.29Å; S527-A531 VanDerWaalsContact O-CB 3.26Å; S527-A531 WeakPolarHBondContact O-CB 3.29Å; S527-A531 PolarHBondContact O-N 2.9Å
528	L	97.7	Very high	96.6	Very high	10 Å²	10	31.5 Å²	31.5	5%	0.052	16%	0.163	C	C	.	.	H	α-helix	trans	-69	-47.3	-180	-167.9	138.8	0	0	0	112.7	R524 E525 V526 A531 A532 E554 V557 R558	R524-L528 PolarHBondContact O-N 2.86Å; R524-L528 VanDerWaalsContact O-N 3.16Å; E525-L528 PolarHBondContact O-N 2.81Å; V526-L528 PolarHBondContact O-N 3.05Å; L528-A531 WeakPolarHBondContact O-CB 3.42Å; L528-A531 PolarHBondContact O-N 3Å; L528-A532 PolarHBondContact O-N 2.96Å; L528-E554 HydrophobicContact CD2-CG 3.32Å; L528-V557 HydrophobicContact CD1-CG1 4.16Å; L528-V557 HydrophobicContact CG-CB 4.49Å; L528-V557 HydrophobicContact CG-CG1 3.84Å; L528-R558 HydrophobicContact CD1-CB 4.24Å; L528-R558 HydrophobicContact CD1-CG 3.27Å; L528-R558 HydrophobicContact CD2-CG 3.96Å; L528-R558 HydrophobicContact CG-CG 4.18Å
529	K	97.3	Very high	96.7	Very high	74 Å²	74	31.9 Å²	31.9	32%	0.322	16%	0.164	S	C	.	.	H	α-helix	trans	-66.2	-40.8	176.8	-69.6	178.3	-179	-176.9	0	111.9	E525 V526 A531 A532 K533	E525-K529 WeakPolarHBondContact O-CG 3.43Å; E525-K529 PolarHBondContact O-N 2.82Å; E525-K529 VanDerWaalsContact O-N 3.08Å; E525-K529 VanDerWaalsContact OE1-CE 3.26Å; E525-K529 WeakPolarHBondContact OE1-CE 3.26Å; V526-K529 PolarHBondContact O-N 3.38Å; K529-A531 VanDerWaalsContact C-N 3.26Å; K529-A531 PolarHBondContact O-N 3.17Å; K529-A532 PolarHBondContact O-N 3.49Å; K529-K533 WeakPolarHBondContact O-CB 3.28Å; K529-K533 PolarHBondContact O-N 3.15Å
530	L	97.2	Very high	96.8	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-58	-43.8	172.4	-174.5	149.5	0	0	0	110.2	I474 G477 V478 A498 A501 L502 V526 K533 I534	I474-L530 HydrophobicContact CD1-CD1 4.17Å; G477-L530 VanDerWaalsContact C-CD2 3.49Å; V478-L530 HydrophobicContact CG2-CD2 4.15Å; A498-L530 HydrophobicContact CB-CD1 4.11Å; A498-L530 HydrophobicContact CB-CD2 4.11Å; A498-L530 HydrophobicContact CB-CG 4.22Å; A498-L530 WeakPolarHBondContact O-CD1 3.45Å; A501-L530 HydrophobicContact CB-CB 4.28Å; A501-L530 HydrophobicContact CB-CG 4.16Å; L502-L530 HydrophobicContact CB-CD1 4.29Å; V526-L530 WeakPolarHBondContact O-CB 3.49Å; V526-L530 PolarHBondContact O-N 2.65Å; L530-K533 PolarHBondContact O-N 3.12Å; L530-I534 HydrophobicContact CD2-CD1 3.45Å; L530-I534 VanDerWaalsContact CD2-CD1 3.45Å; L530-I534 HydrophobicContact CD2-CG1 4.38Å; L530-I534 HydrophobicContact CG-CD1 4.36Å; L530-I534 WeakPolarHBondContact O-CG1 3.33Å; L530-I534 PolarHBondContact O-N 3.31Å
531	A	98.3	Very high	97	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.6	-45.3	179.4	0	0	0	0	0	112.7	G477 L480 A481 S527 L528 K529 K533 I534 M535 V557	G477-A531 WeakPolarHBondContact O-CB 3.23Å; L480-A531 HydrophobicContact CB-CB 4.09Å; L480-A531 HydrophobicContact CD2-CB 3.78Å; L480-A531 HydrophobicContact CG-CB 4Å; A481-A531 HydrophobicContact CB-CB 3.97Å; S527-A531 VanDerWaalsContact O-CB 3.26Å; S527-A531 WeakPolarHBondContact O-CB 3.29Å; S527-A531 PolarHBondContact O-N 2.9Å; L528-A531 WeakPolarHBondContact O-CB 3.42Å; L528-A531 PolarHBondContact O-N 3Å; K529-A531 VanDerWaalsContact C-N 3.26Å; K529-A531 PolarHBondContact O-N 3.17Å; A531-K533 VanDerWaalsContact C-N 3.32Å; A531-K533 PolarHBondContact O-N 2.84Å; A531-I534 PolarHBondContact O-N 3.44Å; A531-M535 WeakPolarHBondContact O-CG 3.38Å; A531-M535 PolarHBondContact O-N 2.9Å; A531-V557 HydrophobicContact CB-CG1 4.2Å; A531-V557 HydrophobicContact CB-CG2 4.39Å
532	A	98.1	Very high	97.2	Very high	9 Å²	9	42.7 Å²	42.7	7%	0.074	21%	0.207	C	C	.	.	H	α-helix	trans	-59.4	-42.5	175.8	0	0	0	0	0	111.9	L528 K529 I534 M535 D536 K553 E554	L528-A532 PolarHBondContact O-N 2.96Å; K529-A532 PolarHBondContact O-N 3.49Å; A532-I534 PolarHBondContact O-N 2.88Å; A532-M535 WeakPolarHBondContact O-CB 3.47Å; A532-M535 PolarHBondContact O-N 3.19Å; A532-D536 PolarHBondContact O-N 2.59Å; A532-K553 HydrophobicContact CB-CB 4.21Å; A532-E554 HydrophobicContact CB-CB 4.4Å
533	K	98.1	Very high	97.2	Very high	96 Å²	96	43 Å²	43	42%	0.417	21%	0.205	S	C	.	.	H	α-helix	trans	-63.6	-41.1	177.6	-171.6	66.2	169.5	-167.5	0	112.7	T497 A501 K529 L530 A531 M535 D536 Y537	T497-K533 HydrophobicContact CG2-CG 3.92Å; A501-K533 HydrophobicContact CB-CB 3.99Å; A501-K533 HydrophobicContact CB-CG 3.95Å; K529-K533 WeakPolarHBondContact O-CB 3.28Å; K529-K533 PolarHBondContact O-N 3.15Å; L530-K533 PolarHBondContact O-N 3.12Å; A531-K533 VanDerWaalsContact C-N 3.32Å; A531-K533 PolarHBondContact O-N 2.84Å; K533-M535 VanDerWaalsContact C-N 3.35Å; K533-D536 PolarHBondContact O-N 3.36Å; K533-Y537 PolarHBondContact O-N 2.85Å; K533-Y537 VanDerWaalsContact O-N 3.09Å
534	I	98.3	Very high	97.2	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-65.7	-40.1	174.3	-68.6	171.3	0	0	0	110.7	V478 A481 V494 T497 A498 L530 A531 A532 Y537 A538	V478-I534 HydrophobicContact CB-CD1 4.41Å; V478-I534 HydrophobicContact CG2-CD1 3.81Å; A481-I534 HydrophobicContact CB-CB 3.69Å; A481-I534 HydrophobicContact CB-CD1 4.21Å; A481-I534 HydrophobicContact CB-CG2 3.58Å; V494-I534 HydrophobicContact CG1-CD1 4.13Å; V494-I534 HydrophobicContact CG1-CG1 4.33Å; V494-I534 HydrophobicContact CG1-CG2 3.76Å; T497-I534 HydrophobicContact CG2-CG1 4.41Å; A498-I534 HydrophobicContact CB-CD1 3.98Å; L530-I534 HydrophobicContact CD2-CD1 3.45Å; L530-I534 VanDerWaalsContact CD2-CD1 3.45Å; L530-I534 HydrophobicContact CD2-CG1 4.38Å; L530-I534 HydrophobicContact CG-CD1 4.36Å; L530-I534 WeakPolarHBondContact O-CG1 3.33Å; L530-I534 PolarHBondContact O-N 3.31Å; A531-I534 PolarHBondContact O-N 3.44Å; A532-I534 PolarHBondContact O-N 2.88Å; I534-Y537 PolarHBondContact O-N 3.11Å; I534-A538 WeakPolarHBondContact O-CB 3.36Å; I534-A538 PolarHBondContact O-N 3.43Å
535	M	97.9	Very high	97.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.6	-45.7	175.8	-73.6	-179.2	65.1	0	0	111.4	A481 A484 C485 A531 A532 K533 Y537 A538 Y539 P550 K553 V557	A481-M535 HydrophobicContact CB-CG 4.42Å; A484-M535 HydrophobicContact CB-CE 4.42Å; A484-M535 HydrophobicContact CB-SD 3.71Å; C485-M535 HydrophobicContact CB-CE 4.09Å; C485-M535 HydrophobicContact CB-CG 4Å; A531-M535 WeakPolarHBondContact O-CG 3.38Å; A531-M535 PolarHBondContact O-N 2.9Å; A532-M535 WeakPolarHBondContact O-CB 3.47Å; A532-M535 PolarHBondContact O-N 3.19Å; K533-M535 VanDerWaalsContact C-N 3.35Å; M535-Y537 VanDerWaalsContact C-N 3.34Å; M535-Y537 PolarHBondContact O-N 3.39Å; M535-A538 PolarHBondContact O-N 3.42Å; M535-A538 VanDerWaalsContact O-N 3.15Å; M535-Y539 HydrophobicContact CE-CE2 4.06Å; M535-Y539 VanDerWaalsContact O-CD2 3.23Å; M535-Y539 WeakPolarHBondContact O-CD2 3.46Å; M535-Y539 PolarHBondContact O-N 3.26Å; M535-P550 HydrophobicContact CE-CG 4.24Å; M535-K553 HydrophobicContact CB-CB 4.43Å; M535-K553 HydrophobicContact CB-CG 4.02Å; M535-K553 HydrophobicContact CE-CB 4.41Å; M535-K553 HydrophobicContact CE-CG 4.12Å; M535-V557 HydrophobicContact SD-CG2 3.36Å; M535-V557 WeakPolarHBondContact SD-CG2 3.01Å
536	D	97.7	Very high	97	Very high	72 Å²	72	40.9 Å²	40.9	39%	0.385	21%	0.207	S	C	.	.	H	α-helix	trans	-57.4	-47.8	175.7	-74.1	-26.6	0	0	0	111.3	A532 K533 A538 Y539 C540 K553	A532-D536 PolarHBondContact O-N 2.59Å; K533-D536 PolarHBondContact O-N 3.36Å; D536-A538 VanDerWaalsContact C-N 3.33Å; D536-A538 PolarHBondContact O-N 3.1Å; D536-Y539 PolarHBondContact O-N 3.36Å; D536-C540 WeakPolarHBondContact O-CB 3.47Å; D536-C540 PolarHBondContact O-N 3.13Å; D536-C540 PolarHBondContact O-SG 3.46Å; D536-K553 WeakPolarHBondContact OD1-CD 3.13Å; D536-K553 VanDerWaalsContact OD1-CE 3.26Å; D536-K553 WeakPolarHBondContact OD1-CE 3.37Å; D536-K553 WeakPolarHBondContact OD1-CG 3.36Å
537	Y	97.4	Very high	96.9	Very high	42 Å²	42	47.6 Å²	47.6	17%	0.165	23%	0.232	C	C	.	.	H	α-helix	trans	-56.6	-47.9	174.5	176.5	-87.9	0	0	0	111.4	D493 V494 T497 K533 I534 M535 Y539 C540 H541 M543	D493-Y537 HydrophobicContact CB-CE1 4.13Å; D493-Y537 HydrophobicContact CB-CE2 4.23Å; D493-Y537 WeakPolarHBondContact CB-OH 3.35Å; V494-Y537 HydrophobicContact CG2-CD1 4.49Å; V494-Y537 HydrophobicContact CG2-CE1 4.37Å; T497-Y537 HydrophobicContact CG2-CG 4.43Å; K533-Y537 PolarHBondContact O-N 2.85Å; K533-Y537 VanDerWaalsContact O-N 3.09Å; I534-Y537 PolarHBondContact O-N 3.11Å; M535-Y537 VanDerWaalsContact C-N 3.34Å; M535-Y537 PolarHBondContact O-N 3.39Å; Y537-Y539 PolarHBondContact O-N 3.38Å; Y537-C540 PolarHBondContact O-N 2.96Å; Y537-H541 AromaticContact CD2-CE1 3.4Å; Y537-H541 VanDerWaalsContact CD2-CE1 3.4Å; Y537-H541 WeakPolarHBondContact CD2-CE1 3.12Å; Y537-H541 AromaticContact CD2-ND1 3.49Å; Y537-H541 WeakPolarHBondContact CD2-ND1 3.3Å; Y537-H541 HydrophobicContact CE1-CB 4.47Å; Y537-H541 AromaticContact CE1-ND1 3.97Å; Y537-H541 AromaticContact CE2-CE1 3.16Å; Y537-H541 WeakPolarHBondContact CE2-CE1 3.23Å; Y537-H541 AromaticContact CE2-ND1 3.39Å; Y537-H541 WeakPolarHBondContact CE2-ND1 3.46Å; Y537-H541 AromaticContact CE2-NE2 3.7Å; Y537-H541 AromaticContact CG-ND1 3.81Å; Y537-H541 AromaticContact CZ-CE1 3.76Å; Y537-H541 AromaticContact CZ-CG 3.84Å; Y537-H541 AromaticContact CZ-ND1 3.61Å; Y537-H541 PolarHBondContact O-N 2.93Å; Y537-H541 PolarHBondContact O-ND1 3Å; Y537-M543 HydrophobicContact CE1-SD 3.81Å
538	A	97.3	Very high	96.8	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-64.2	-38.8	-177.7	0	0	0	0	0	113.1	L487 I534 M535 D536 K542 M543 A544	L487-A538 HydrophobicContact CD1-CB 3.5Å; L487-A538 VanDerWaalsContact CD1-CB 3.5Å; I534-A538 WeakPolarHBondContact O-CB 3.36Å; I534-A538 PolarHBondContact O-N 3.43Å; M535-A538 PolarHBondContact O-N 3.42Å; M535-A538 VanDerWaalsContact O-N 3.15Å; D536-A538 VanDerWaalsContact C-N 3.33Å; D536-A538 PolarHBondContact O-N 3.1Å; A538-K542 PolarHBondContact O-N 3.26Å; A538-M543 HydrophobicContact CB-CB 4.34Å; A538-M543 PolarHBondContact O-N 2.83Å; A538-A544 HydrophobicContact CB-CB 4.1Å; A538-A544 PolarHBondContact O-N 3.29Å
539	Y	97.3	Very high	96.8	Very high	12 Å²	12	57 Å²	57	5%	0.047	29%	0.286	C	S	.	.	H	α-helix	trans	-69.7	-45.6	175.5	-81.9	-71.7	0	0	0	111.5	C485 M535 D536 Y537 H541 K542 A544 L546 R547 E549 P550	C485-Y539 HydrophobicContact CB-CE2 4.09Å; M535-Y539 HydrophobicContact CE-CE2 4.06Å; M535-Y539 VanDerWaalsContact O-CD2 3.23Å; M535-Y539 WeakPolarHBondContact O-CD2 3.46Å; M535-Y539 PolarHBondContact O-N 3.26Å; D536-Y539 PolarHBondContact O-N 3.36Å; Y537-Y539 PolarHBondContact O-N 3.38Å; Y539-H541 VanDerWaalsContact C-N 3.27Å; Y539-H541 PolarHBondContact O-N 2.68Å; Y539-K542 PolarHBondContact O-N 2.79Å; Y539-K542 VanDerWaalsContact O-N 3.09Å; Y539-A544 HydrophobicContact CD1-CB 3.77Å; Y539-A544 HydrophobicContact CD2-CB 4.11Å; Y539-A544 HydrophobicContact CE1-CB 3.64Å; Y539-A544 HydrophobicContact CE2-CB 4Å; Y539-A544 HydrophobicContact CG-CB 3.99Å; Y539-L546 PolarHBondContact OH-O 3.34Å; Y539-R547 VanDerWaalsContact CE1-NH1 3.29Å; Y539-E549 HydrophobicContact CD1-CB 3.77Å; Y539-E549 VanDerWaalsContact CD1-CD 3.46Å; Y539-E549 HydrophobicContact CD1-CG 3.51Å; Y539-E549 VanDerWaalsContact CD1-OE2 3.3Å; Y539-E549 WeakPolarHBondContact CD1-OE2 3.38Å; Y539-E549 HydrophobicContact CD2-CG 3.91Å; Y539-E549 HydrophobicContact CE1-CB 3.53Å; Y539-E549 HydrophobicContact CE1-CG 3.61Å; Y539-E549 HydrophobicContact CE2-CG 3.99Å; Y539-E549 HydrophobicContact CG-CB 4.46Å; Y539-E549 VanDerWaalsContact CG-CD 3.46Å; Y539-E549 HydrophobicContact CG-CG 3.7Å; Y539-P550 WeakPolarHBondContact OH-CD 3.43Å
540	C	96.8	Very high	96.7	Very high	103 Å²	103	54.4 Å²	54.4	70%	0.696	28%	0.277	S	S	*	.	H	α-helix	trans	-57.9	-38.5	176.6	-77	0	0	0	0	112.9	D536 Y537	D536-C540 WeakPolarHBondContact O-CB 3.47Å; D536-C540 PolarHBondContact O-N 3.13Å; D536-C540 PolarHBondContact O-SG 3.46Å; Y537-C540 PolarHBondContact O-N 2.96Å
541	H	95.9	Very high	96.6	Very high	105 Å²	105	60.3 Å²	60.3	49%	0.486	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	9.4	-179.3	-62.2	81.8	0	0	0	113.4	Y537 Y539 M543	Y537-H541 AromaticContact CD2-CE1 3.4Å; Y537-H541 VanDerWaalsContact CD2-CE1 3.4Å; Y537-H541 WeakPolarHBondContact CD2-CE1 3.12Å; Y537-H541 AromaticContact CD2-ND1 3.49Å; Y537-H541 WeakPolarHBondContact CD2-ND1 3.3Å; Y537-H541 HydrophobicContact CE1-CB 4.47Å; Y537-H541 AromaticContact CE1-ND1 3.97Å; Y537-H541 AromaticContact CE2-CE1 3.16Å; Y537-H541 WeakPolarHBondContact CE2-CE1 3.23Å; Y537-H541 AromaticContact CE2-ND1 3.39Å; Y537-H541 WeakPolarHBondContact CE2-ND1 3.46Å; Y537-H541 AromaticContact CE2-NE2 3.7Å; Y537-H541 AromaticContact CG-ND1 3.81Å; Y537-H541 AromaticContact CZ-CE1 3.76Å; Y537-H541 AromaticContact CZ-CG 3.84Å; Y537-H541 AromaticContact CZ-ND1 3.61Å; Y537-H541 PolarHBondContact O-N 2.93Å; Y537-H541 PolarHBondContact O-ND1 3Å; Y539-H541 VanDerWaalsContact C-N 3.27Å; Y539-H541 PolarHBondContact O-N 2.68Å; H541-M543 HydrophobicContact CB-CG 4.1Å; H541-M543 HydrophobicContact CB-SD 4.15Å; H541-M543 PolarHBondContact O-N 2.75Å
542	K	95.4	Very high	96.5	Very high	183 Å²	183	64.4 Å²	64.4	80%	0.796	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	30.7	178.2	-53.6	177.7	-178.5	175.3	0	113.9	A538 Y539	A538-K542 PolarHBondContact O-N 3.26Å; Y539-K542 PolarHBondContact O-N 2.79Å; Y539-K542 VanDerWaalsContact O-N 3.09Å
543	M	94.9	Very high	96.5	Very high	44 Å²	44	65.2 Å²	65.2	22%	0.217	34%	0.342	C	S	.	.			trans	-90.5	-28.8	178.3	-61.3	176.5	65.3	0	0	112.9	L487 H489 T491 V494 Y537 A538 H541	L487-M543 HydrophobicContact CD1-CB 3.64Å; L487-M543 HydrophobicContact CD1-CE 4.42Å; H489-M543 WeakPolarHBondContact O-CE 3.49Å; T491-M543 HydrophobicContact CG2-CE 3.99Å; V494-M543 HydrophobicContact CG2-CE 4.29Å; Y537-M543 HydrophobicContact CE1-SD 3.81Å; A538-M543 HydrophobicContact CB-CB 4.34Å; A538-M543 PolarHBondContact O-N 2.83Å; H541-M543 HydrophobicContact CB-CG 4.1Å; H541-M543 HydrophobicContact CB-SD 4.15Å; H541-M543 PolarHBondContact O-N 2.75Å
544	A	96.3	Very high	96.4	Very high	4 Å²	4	64.2 Å²	64.2	3%	0.033	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-69.4	134.8	179.7	0	0	0	0	0	112.2	C485 A538 Y539 R547	C485-A544 HydrophobicContact CB-CB 3.97Å; A538-A544 HydrophobicContact CB-CB 4.1Å; A538-A544 PolarHBondContact O-N 3.29Å; Y539-A544 HydrophobicContact CD1-CB 3.77Å; Y539-A544 HydrophobicContact CD2-CB 4.11Å; Y539-A544 HydrophobicContact CE1-CB 3.64Å; Y539-A544 HydrophobicContact CE2-CB 4Å; Y539-A544 HydrophobicContact CG-CB 3.99Å; A544-R547 PolarHBondContact O-NH2 3.45Å; A544-R547 VanDerWaalsContact O-NH2 3.09Å
545	A	95.1	Very high	96.3	Very high	38 Å²	38	66.4 Å²	66.4	31%	0.314	36%	0.357	S	S	.	.			trans	-100.1	-20.7	178.9	0	0	0	0	0	113.7	C485 A486 R488 R547	C485-A545 PolarHBondContact O-N 3.48Å; A486-A545 HydrophobicContact CB-CB 4.07Å; A486-A545 WeakPolarHBondContact O-CB 3.24Å; A486-A545 PolarHBondContact O-N 3.13Å; R488-A545 HydrophobicContact CG-CB 4.46Å; A545-R547 PolarHBondContact O-N 3.44Å
546	L	95.1	Very high	96.2	Very high	61 Å²	61	68.6 Å²	68.6	32%	0.319	37%	0.367	S	S	.	.			trans	-64.8	129.4	176.9	-179.8	68.9	0	0	0	111	A484 C485 A486 Y539	A484-L546 WeakPolarHBondContact O-CD2 2.93Å; C485-L546 PolarHBondContact O-N 2.98Å; A486-L546 HydrophobicContact CB-CB 4.48Å; Y539-L546 PolarHBondContact OH-O 3.34Å
547	R	94.5	Very high	96.1	Very high	146 Å²	146	65.1 Å²	65.1	55%	0.551	35%	0.349	S	S	*	.	S	Bend	trans	-134.4	144.8	177.6	-61	-64.1	176	-152.1	-10	111.3	Y539 A544 A545	Y539-R547 VanDerWaalsContact CE1-NH1 3.29Å; A544-R547 PolarHBondContact O-NH2 3.45Å; A544-R547 VanDerWaalsContact O-NH2 3.09Å; A545-R547 PolarHBondContact O-N 3.44Å
548	P	95.4	Very high	96	Very high	117 Å²	117	68 Å²	68	76%	0.76	36%	0.359	S	S	*	.	S	Bend	cis	-66.3	162.5	-6.8	30.2	-35.5	0	0	0	112.4
549	E	97.5	Very high	95.9	Very high	89 Å²	89	71.6 Å²	71.6	42%	0.416	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-65.6	128.5	172.7	176.1	175	161.4	0	0	109.6	Y539 S551 K553	Y539-E549 HydrophobicContact CD1-CB 3.77Å; Y539-E549 VanDerWaalsContact CD1-CD 3.46Å; Y539-E549 HydrophobicContact CD1-CG 3.51Å; Y539-E549 VanDerWaalsContact CD1-OE2 3.3Å; Y539-E549 WeakPolarHBondContact CD1-OE2 3.38Å; Y539-E549 HydrophobicContact CD2-CG 3.91Å; Y539-E549 HydrophobicContact CE1-CB 3.53Å; Y539-E549 HydrophobicContact CE1-CG 3.61Å; Y539-E549 HydrophobicContact CE2-CG 3.99Å; Y539-E549 HydrophobicContact CG-CB 4.46Å; Y539-E549 VanDerWaalsContact CG-CD 3.46Å; Y539-E549 HydrophobicContact CG-CG 3.7Å; E549-S551 PolarHBondContact O-N 3.31Å; E549-K553 VanDerWaalsContact OE1-CE 3.27Å; E549-K553 WeakPolarHBondContact OE1-CE 3.46Å; E549-K553 IonicContact OE1-NZ 2.88Å; E549-K553 PolarHBondContact OE1-NZ 3.05Å
550	P	96.6	Very high	95.7	Very high	21 Å²	21	74 Å²	74	14%	0.136	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-60.1	133.3	174.6	-23	33.3	0	0	0	111.1	M535 Y539 D552 K553 H556	M535-P550 HydrophobicContact CE-CG 4.24Å; Y539-P550 WeakPolarHBondContact OH-CD 3.43Å; P550-D552 VanDerWaalsContact C-N 3.3Å; P550-K553 WeakPolarHBondContact O-CD 3.36Å; P550-K553 WeakPolarHBondContact O-CE 3.28Å; P550-K553 PolarHBondContact O-NZ 2.77Å; P550-H556 HydrophobicContact CB-CB 3.76Å; P550-H556 HydrophobicContact CG-CB 4Å
551	S	95.1	Very high	95.6	Very high	125 Å²	125	70.4 Å²	70.4	87%	0.874	37%	0.373	S	S	*	.	S	Bend	trans	-65.5	-37.7	175.8	53.5	0	0	0	0	111.7	E549	E549-S551 PolarHBondContact O-N 3.31Å
552	D	96.7	Very high	95.7	Very high	86 Å²	86	66.2 Å²	66.2	46%	0.46	35%	0.353	S	S	.	.			trans	-119	107.8	174.5	-175.5	-21.2	0	0	0	109.1	P550 E554 A555 H556	P550-D552 VanDerWaalsContact C-N 3.3Å; D552-E554 PolarHBondContact OD1-N 2.79Å; D552-A555 HydrophobicContact CB-CB 3.91Å; D552-A555 VanDerWaalsContact CG-CB 3.42Å; D552-A555 PolarHBondContact OD1-N 3.16Å; D552-A555 WeakPolarHBondContact OD2-CB 3.23Å; D552-H556 WeakPolarHBondContact O-CB 3.46Å; D552-H556 PolarHBondContact O-N 3.34Å; D552-H556 VanDerWaalsContact O-N 3.1Å
553	K	96.6	Very high	95.7	Very high	26 Å²	26	60.1 Å²	60.1	11%	0.113	33%	0.334	C	S	.	.	H	α-helix	trans	-71.5	-36	-176.9	-74.7	67.2	171.2	167.9	0	110.6	A532 M535 D536 E549 P550 H556 V557	A532-K553 HydrophobicContact CB-CB 4.21Å; M535-K553 HydrophobicContact CB-CB 4.43Å; M535-K553 HydrophobicContact CB-CG 4.02Å; M535-K553 HydrophobicContact CE-CB 4.41Å; M535-K553 HydrophobicContact CE-CG 4.12Å; D536-K553 WeakPolarHBondContact OD1-CD 3.13Å; D536-K553 VanDerWaalsContact OD1-CE 3.26Å; D536-K553 WeakPolarHBondContact OD1-CE 3.37Å; D536-K553 WeakPolarHBondContact OD1-CG 3.36Å; E549-K553 VanDerWaalsContact OE1-CE 3.27Å; E549-K553 WeakPolarHBondContact OE1-CE 3.46Å; E549-K553 IonicContact OE1-NZ 2.88Å; E549-K553 PolarHBondContact OE1-NZ 3.05Å; P550-K553 WeakPolarHBondContact O-CD 3.36Å; P550-K553 WeakPolarHBondContact O-CE 3.28Å; P550-K553 PolarHBondContact O-NZ 2.77Å; K553-H556 PolarHBondContact O-N 2.79Å; K553-V557 WeakPolarHBondContact O-CB 3.47Å; K553-V557 VanDerWaalsContact O-CG2 3.23Å; K553-V557 WeakPolarHBondContact O-CG2 3.46Å; K553-V557 PolarHBondContact O-N 3.42Å
554	E	95.8	Very high	95.8	Very high	74 Å²	74	59 Å²	59	35%	0.346	33%	0.329	S	S	.	.	H	α-helix	trans	-69	-47	-178.8	-164.8	-175.9	128.7	0	0	110.7	L528 A532 D552 H556 V557 R558	L528-E554 HydrophobicContact CD2-CG 3.32Å; A532-E554 HydrophobicContact CB-CB 4.4Å; D552-E554 PolarHBondContact OD1-N 2.79Å; E554-H556 VanDerWaalsContact C-N 3.33Å; E554-H556 PolarHBondContact O-N 3.18Å; E554-V557 PolarHBondContact O-N 3.15Å; E554-R558 WeakPolarHBondContact O-CG 3.38Å; E554-R558 PolarHBondContact O-N 3.01Å; E554-R558 IonicContact OE1-CZ 3.86Å; E554-R558 IonicContact OE1-NE 2.59Å; E554-R558 PolarHBondContact OE1-NE 3.1Å; E554-R558 VanDerWaalsContact OE1-NE 3.14Å; E554-R558 IonicContact OE1-NH2 3.16Å; E554-R558 PolarHBondContact OE1-NH2 3.05Å
555	A	95.9	Very high	95.8	Very high	47 Å²	47	63.4 Å²	63.4	39%	0.388	35%	0.352	S	S	.	.	H	α-helix	trans	-61.8	-41.1	175.5	0	0	0	0	0	111.9	D552 R558 S559	D552-A555 HydrophobicContact CB-CB 3.91Å; D552-A555 VanDerWaalsContact CG-CB 3.42Å; D552-A555 PolarHBondContact OD1-N 3.16Å; D552-A555 WeakPolarHBondContact OD2-CB 3.23Å; A555-R558 PolarHBondContact O-N 2.96Å; A555-S559 WeakPolarHBondContact O-CB 3.17Å; A555-S559 PolarHBondContact O-N 3.35Å
556	H	96.3	Very high	95.8	Very high	45 Å²	45	63.7 Å²	63.7	21%	0.208	35%	0.345	C	S	.	.	H	α-helix	trans	-59.2	-51.1	174.6	176.6	75	0	0	0	111.6	A484 P550 D552 K553 E554 R558 S559 I560	A484-H556 PolarHBondContact O-NE2 3.31Å; A484-H556 VanDerWaalsContact O-NE2 3.12Å; P550-H556 HydrophobicContact CB-CB 3.76Å; P550-H556 HydrophobicContact CG-CB 4Å; D552-H556 WeakPolarHBondContact O-CB 3.46Å; D552-H556 PolarHBondContact O-N 3.34Å; D552-H556 VanDerWaalsContact O-N 3.1Å; K553-H556 PolarHBondContact O-N 2.79Å; E554-H556 VanDerWaalsContact C-N 3.33Å; E554-H556 PolarHBondContact O-N 3.18Å; H556-R558 PolarHBondContact O-N 2.81Å; H556-S559 PolarHBondContact O-N 3.27Å; H556-S559 VanDerWaalsContact O-N 3.13Å; H556-S559 PolarHBondContact O-OG 2.99Å; H556-I560 PolarHBondContact O-N 3.38Å
557	V	96.1	Very high	95.7	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-59.7	-45.3	177.7	173.8	0	0	0	0	111	L480 A484 L528 A531 M535 K553 E554 S559 I560 C561	L480-V557 HydrophobicContact CD1-CG1 4.31Å; L480-V557 HydrophobicContact CD2-CG1 3.24Å; L480-V557 HydrophobicContact CG-CG1 3.76Å; A484-V557 HydrophobicContact CB-CG2 4.2Å; L528-V557 HydrophobicContact CD1-CG1 4.16Å; L528-V557 HydrophobicContact CG-CB 4.49Å; L528-V557 HydrophobicContact CG-CG1 3.84Å; A531-V557 HydrophobicContact CB-CG1 4.2Å; A531-V557 HydrophobicContact CB-CG2 4.39Å; M535-V557 HydrophobicContact SD-CG2 3.36Å; M535-V557 WeakPolarHBondContact SD-CG2 3.01Å; K553-V557 WeakPolarHBondContact O-CB 3.47Å; K553-V557 VanDerWaalsContact O-CG2 3.23Å; K553-V557 WeakPolarHBondContact O-CG2 3.46Å; K553-V557 PolarHBondContact O-N 3.42Å; E554-V557 PolarHBondContact O-N 3.15Å; V557-S559 VanDerWaalsContact C-N 3.27Å; V557-S559 PolarHBondContact O-N 3.36Å; V557-I560 WeakPolarHBondContact O-CG1 3.35Å; V557-I560 PolarHBondContact O-N 2.87Å; V557-C561 PolarHBondContact O-N 2.83Å; V557-C561 PolarHBondContact O-SG 3.48Å
558	R	95.6	Very high	95.5	Very high	103 Å²	103	56.4 Å²	56.4	39%	0.389	32%	0.318	S	S	.	.	H	α-helix	trans	-57	-40.3	175.5	-76.6	-177.6	-164.6	-75.8	2.2	112.3	E525 L528 E554 A555 H556 I560 C561	E525-R558 VanDerWaalsContact CD-NH2 3.29Å; E525-R558 IonicContact OE1-CZ 3.85Å; E525-R558 IonicContact OE1-NH1 2.64Å; E525-R558 IonicContact OE1-NH2 2.78Å; E525-R558 PolarHBondContact OE1-NH2 3.13Å; E525-R558 IonicContact OE2-CZ 2.65Å; E525-R558 IonicContact OE2-NH1 3.65Å; E525-R558 PolarHBondContact OE2-NH1 2.84Å; E525-R558 IonicContact OE2-NH2 2.71Å; E525-R558 PolarHBondContact OE2-NH2 3.2Å; E525-R558 VanDerWaalsContact OE2-NH2 3.11Å; L528-R558 HydrophobicContact CD1-CB 4.24Å; L528-R558 HydrophobicContact CD1-CG 3.27Å; L528-R558 HydrophobicContact CD2-CG 3.96Å; L528-R558 HydrophobicContact CG-CG 4.18Å; E554-R558 WeakPolarHBondContact O-CG 3.38Å; E554-R558 PolarHBondContact O-N 3.01Å; E554-R558 IonicContact OE1-CZ 3.86Å; E554-R558 IonicContact OE1-NE 2.59Å; E554-R558 PolarHBondContact OE1-NE 3.1Å; E554-R558 VanDerWaalsContact OE1-NE 3.14Å; E554-R558 IonicContact OE1-NH2 3.16Å; E554-R558 PolarHBondContact OE1-NH2 3.05Å; A555-R558 PolarHBondContact O-N 2.96Å; H556-R558 PolarHBondContact O-N 2.81Å; R558-I560 VanDerWaalsContact C-N 3.28Å; R558-I560 PolarHBondContact O-N 3.35Å; R558-C561 WeakPolarHBondContact O-CB 3.35Å; R558-C561 PolarHBondContact O-N 2.59Å
559	S	94.5	Very high	95.3	Very high	75 Å²	75	51.7 Å²	51.7	52%	0.524	29%	0.285	S	S	.	.	H	α-helix	trans	-67.6	-25.9	-176	78.2	0	0	0	0	114.3	A555 H556 V557	A555-S559 WeakPolarHBondContact O-CB 3.17Å; A555-S559 PolarHBondContact O-N 3.35Å; H556-S559 PolarHBondContact O-N 3.27Å; H556-S559 VanDerWaalsContact O-N 3.13Å; H556-S559 PolarHBondContact O-OG 2.99Å; V557-S559 VanDerWaalsContact C-N 3.27Å; V557-S559 PolarHBondContact O-N 3.36Å
560	I	93.6	Very high	94.8	Very high	62 Å²	62	48 Å²	48	32%	0.318	27%	0.27	S	S	.	.	H	α-helix	trans	-97.4	-10.4	179.6	64.5	170.7	0	0	0	112.9	A484 H556 V557 R558	A484-I560 HydrophobicContact CB-CD1 3.56Å; H556-I560 PolarHBondContact O-N 3.38Å; V557-I560 WeakPolarHBondContact O-CG1 3.35Å; V557-I560 PolarHBondContact O-N 2.87Å; R558-I560 VanDerWaalsContact C-N 3.28Å; R558-I560 PolarHBondContact O-N 3.35Å
561	C	95.2	Very high	94.2	Very high	28 Å²	28	51.5 Å²	51.5	19%	0.189	29%	0.291	C	S	.	.	S	Bend	trans	-64.1	138.4	177.5	-81	0	0	0	0	111.9	G199 V557 R558 S563	G199-C561 CarbonylContact O-C 3.48Å; G199-C561 VanDerWaalsContact O-CA 3.3Å; G199-C561 WeakPolarHBondContact O-CA 3.27Å; V557-C561 PolarHBondContact O-N 2.83Å; V557-C561 PolarHBondContact O-SG 3.48Å; R558-C561 WeakPolarHBondContact O-CB 3.35Å; R558-C561 PolarHBondContact O-N 2.59Å; C561-S563 PolarHBondContact O-N 2.93Å
562	Y	96.4	Very high	93.7	Very high	17 Å²	17	50 Å²	50	7%	0.067	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-61	123.7	175.8	179.7	-105.3	0	0	0	111.9	K101 Y104 T195 G199 P202 R524 T564	K101-Y562 HydrophobicContact CD-CE2 4.36Å; K101-Y562 VanDerWaalsContact CD-OH 3.23Å; K101-Y562 WeakPolarHBondContact CD-OH 3.5Å; K101-Y562 WeakPolarHBondContact CG-OH 3.22Å; Y104-Y562 AromaticContact CD2-CE1 3.72Å; Y104-Y562 HydrophobicContact CD2-CE1 3.72Å; Y104-Y562 HydrophobicContact CG-CE1 4.02Å; T195-Y562 HydrophobicContact CG2-CD1 3.51Å; T195-Y562 HydrophobicContact CG2-CE1 3.98Å; T195-Y562 HydrophobicContact CG2-CG 4Å; G199-Y562 WeakPolarHBondContact O-CB 3.38Å; G199-Y562 PolarHBondContact O-N 3.4Å; P202-Y562 HydrophobicContact CG-CD2 4.21Å; P202-Y562 HydrophobicContact CG-CE2 3.84Å; R524-Y562 PolarHBondContact NH2-O 2.62Å; Y562-T564 HydrophobicContact CE1-CG2 4.34Å
563	S	95.8	Very high	93.1	Very high	55 Å²	55	50.7 Å²	50.7	39%	0.385	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-88	137.6	169.2	179.5	0	0	0	0	111	K101 C561 D565	K101-S563 WeakPolarHBondContact CD-O 3.46Å; K101-S563 WeakPolarHBondContact CE-O 3.5Å; K101-S563 PolarHBondContact NZ-O 3.01Å; C561-S563 PolarHBondContact O-N 2.93Å; S563-D565 VanDerWaalsContact C-N 3.27Å; S563-D565 WeakPolarHBondContact OG-CB 3.3Å; S563-D565 PolarHBondContact OG-N 3.32Å; S563-D565 VanDerWaalsContact OG-N 3.13Å; S563-D565 PolarHBondContact OG-OD2 3.13Å
564	T	97.1	Very high	92.7	Very high	19 Å²	19	57.2 Å²	57.2	12%	0.117	31%	0.31	C	S	.	.			trans	-79.1	-11.3	172.7	55	0	0	0	0	113.3	Q68 T108 Y562	Q68-T564 PolarHBondContact NE2-O 3.45Å; T108-T564 HydrophobicContact CG2-CG2 4.46Å; Y562-T564 HydrophobicContact CE1-CG2 4.34Å
565	D	96.5	Very high	92.4	Very high	97 Å²	97	62.9 Å²	62.9	52%	0.519	34%	0.336	S	S	.	.	S	Bend	trans	-70.4	143.3	-179.9	-58.9	-23.8	0	0	0	110.4	K101 S563 D567	K101-D565 VanDerWaalsContact CD-O 3.28Å; K101-D565 WeakPolarHBondContact CD-O 3.48Å; K101-D565 WeakPolarHBondContact CE-O 3.32Å; K101-D565 PolarHBondContact NZ-O 3.36Å; S563-D565 VanDerWaalsContact C-N 3.27Å; S563-D565 WeakPolarHBondContact OG-CB 3.3Å; S563-D565 PolarHBondContact OG-N 3.32Å; S563-D565 VanDerWaalsContact OG-N 3.13Å; S563-D565 PolarHBondContact OG-OD2 3.13Å; D565-D567 PolarHBondContact O-N 3.01Å
566	Y	96.4	Very high	92.3	Very high	45 Å²	45	67.8 Å²	67.8	18%	0.176	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-67.1	131.5	177.7	-70.7	-55.7	0	0	0	111.7	K43 A46 Q68 Q71 N99 K101	K43-Y566 HydrophobicContact CB-CD1 4.13Å; K43-Y566 HydrophobicContact CB-CE1 3.95Å; K43-Y566 HydrophobicContact CB-CE2 4.5Å; K43-Y566 HydrophobicContact CB-CG 4.49Å; K43-Y566 HydrophobicContact CD-CD1 3.95Å; K43-Y566 HydrophobicContact CD-CD2 4.38Å; K43-Y566 HydrophobicContact CD-CG 3.84Å; K43-Y566 HydrophobicContact CG-CD1 3.61Å; K43-Y566 HydrophobicContact CG-CE1 3.89Å; K43-Y566 HydrophobicContact CG-CG 4.02Å; A46-Y566 HydrophobicContact CB-CD2 3.96Å; A46-Y566 HydrophobicContact CB-CE2 3.43Å; A46-Y566 VanDerWaalsContact CB-CE2 3.43Å; Q68-Y566 HydrophobicContact CB-CD2 4.15Å; Q68-Y566 HydrophobicContact CB-CE2 3.73Å; Q68-Y566 HydrophobicContact CG-CD2 4.18Å; Q68-Y566 HydrophobicContact CG-CE2 3.55Å; Q71-Y566 PolarHBondContact NE2-OH 3.11Å; Q71-Y566 VanDerWaalsContact OE1-CE2 3.24Å; Q71-Y566 PolarHBondContact OE1-OH 2.94Å; N99-Y566 PolarHBondContact ND2-OH 3.35Å; K101-Y566 HydrophobicContact CB-CD1 3.73Å; K101-Y566 HydrophobicContact CB-CE1 3.65Å; K101-Y566 HydrophobicContact CG-CD1 4.15Å; K101-Y566 HydrophobicContact CG-CE1 4.49Å
567	D	92	Very high	92.2	Very high	35 Å²	35	69.5 Å²	69.5	19%	0.187	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-77.3	139.4	173.5	-49.1	-59.2	0	0	0	110.4	T24 V26 K43 K101 D565	T24-D567 CarbonylContact O-C 3.57Å; T24-D567 WeakPolarHBondContact O-CA 3.46Å; V26-D567 HydrophobicContact CB-CB 4.1Å; V26-D567 HydrophobicContact CG2-CB 3.53Å; K43-D567 WeakPolarHBondContact CE-O 3.49Å; K43-D567 PolarHBondContact NZ-O 2.92Å; K101-D567 WeakPolarHBondContact CE-OD2 3.39Å; K101-D567 IonicContact NZ-OD1 3.26Å; K101-D567 PolarHBondContact NZ-OD1 3.17Å; K101-D567 IonicContact NZ-OD2 3Å; K101-D567 PolarHBondContact NZ-OD2 3.01Å; D565-D567 PolarHBondContact O-N 3.01Å
568	D	89.9	Confident	92	Very high	19 Å²	19	77.6 Å²	77.6	10%	0.102	40%	0.397	C	S	.	.	B	Isolated β-bridge	trans	-77.2	127.9	-177.2	-155.1	-25.8	0	0	0	110.9	K23 T24 F25 V26 A570	K23-D568 IonicContact NZ-OD2 3.07Å; K23-D568 PolarHBondContact NZ-OD2 3.07Å; T24-D568 PolarHBondContact O-N 2.83Å; F25-D568 WeakPolarHBondContact CA-O 3.37Å; F25-D568 HydrophobicContact CD1-CB 4.09Å; F25-D568 HydrophobicContact CE1-CB 4.27Å; V26-D568 PolarHBondContact N-O 2.99Å; D568-A570 VanDerWaalsContact OD1-CB 3.25Å; D568-A570 WeakPolarHBondContact OD1-CB 3.34Å; D568-A570 PolarHBondContact OD1-N 3.07Å
569	F	91.1	Very high	91.8	Very high	17 Å²	17	79.1 Å²	79.1	8%	0.075	41%	0.413	C	S	.	.			trans	-100.1	1.4	175.7	-61.9	-63.5	0	0	0	112.9	V26 T28 L41 K43 F47 E51 L55	V26-F569 HydrophobicContact CB-CE1 4.26Å; V26-F569 HydrophobicContact CG1-CE1 4.25Å; V26-F569 WeakPolarHBondContact O-CD1 3.25Å; T28-F569 HydrophobicContact CG2-CD1 4.08Å; T28-F569 HydrophobicContact CG2-CE1 4.43Å; L41-F569 HydrophobicContact CB-CZ 4.21Å; L41-F569 HydrophobicContact CD2-CE1 3.77Å; L41-F569 HydrophobicContact CD2-CZ 3.78Å; L41-F569 VanDerWaalsContact O-CE2 3.24Å; L41-F569 WeakPolarHBondContact O-CE2 3.34Å; K43-F569 HydrophobicContact CD-CD2 4.41Å; K43-F569 HydrophobicContact CD-CE2 4.27Å; K43-F569 VanDerWaalsContact CE-CD2 3.44Å; K43-F569 HydrophobicContact CG-CE2 4.21Å; F47-F569 HydrophobicContact CD1-CD2 4.37Å; F47-F569 AromaticContact CE1-CD2 3.7Å; F47-F569 HydrophobicContact CE1-CD2 3.7Å; F47-F569 AromaticContact CE1-CE2 3.89Å; F47-F569 HydrophobicContact CE1-CE2 3.89Å; E51-F569 HydrophobicContact CG-CB 4.34Å; E51-F569 PolarHBondContact OE1-N 3.47Å; L55-F569 HydrophobicContact CD1-CB 3.92Å; L55-F569 HydrophobicContact CD1-CD2 4.27Å; L55-F569 HydrophobicContact CD1-CG 4.3Å; L55-F569 HydrophobicContact CD2-CB 4.37Å; L55-F569 HydrophobicContact CG-CB 4.46Å
570	A	87	Confident	91.6	Very high	11 Å²	11	79.7 Å²	79.7	9%	0.091	42%	0.416	C	S	.	.	S	Bend	trans	-59.7	140.6	169.6	0	0	0	0	0	109.9	E50 Q54 D568 D572	E50-A570 HydrophobicContact CG-CB 4.44Å; Q54-A570 VanDerWaalsContact OE1-CA 3.28Å; D568-A570 VanDerWaalsContact OD1-CB 3.25Å; D568-A570 WeakPolarHBondContact OD1-CB 3.34Å; D568-A570 PolarHBondContact OD1-N 3.07Å; A570-D572 PolarHBondContact O-N 3.4Å
571	V	84.1	Confident	91.5	Very high	96 Å²	96	80.7 Å²	80.7	58%	0.582	43%	0.425	S	S	*	.			trans	-61.6	129.4	175.7	175.7	0	0	0	0	109.2	S573	V571-S573 VanDerWaalsContact C-N 3.28Å; V571-S573 PolarHBondContact O-N 2.86Å
572	D	84.7	Confident	91.3	Very high	92 Å²	92	82.6 Å²	82.6	49%	0.492	44%	0.443	S	S	.	.			trans	-67.6	88.5	169.5	-175.9	15.1	0	0	0	109.5	A570	A570-D572 PolarHBondContact O-N 3.4Å
573	S	83.8	Confident	91.1	Very high	101 Å²	101	88 Å²	88	71%	0.706	48%	0.477	S	S	*	.			trans	-93.9	123	-178.4	64.7	0	0	0	0	110.5	V571	V571-S573 VanDerWaalsContact C-N 3.28Å; V571-S573 PolarHBondContact O-N 2.86Å
574	Y	88.1	Confident	90.7	Very high	164 Å²	164	94.5 Å²	94.5	64%	0.643	50%	0.501	S	S	*	.			trans	-129.7	153.9	174.1	63.3	-79.5	0	0	0	110.6	W576	Y574-W576 AromaticContact CD2-CD1 3.81Å; Y574-W576 AromaticContact CD2-NE1 3.79Å; Y574-W576 AromaticContact CE2-CD1 3.51Å; Y574-W576 AromaticContact CE2-NE1 3Å; Y574-W576 AromaticContact CZ-NE1 3.6Å
575	Q	91.3	Very high	90.2	Very high	193 Å²	193	99.1 Å²	99.1	90%	0.902	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-95.5	142.7	-178.6	-67.4	-177.1	-18.8	0	0	110.9
576	W	92.9	Very high	89.5	Confident	150 Å²	150	99.9 Å²	99.9	57%	0.568	55%	0.546	S	S	*	.	P	Polyproline II helix	trans	-100.4	159.8	168.7	-75.5	40.7	0	0	0	109	Y574 E578 C580 V581	Y574-W576 AromaticContact CD2-CD1 3.81Å; Y574-W576 AromaticContact CD2-NE1 3.79Å; Y574-W576 AromaticContact CE2-CD1 3.51Å; Y574-W576 AromaticContact CE2-NE1 3Å; Y574-W576 AromaticContact CZ-NE1 3.6Å; W576-E578 PolarHBondContact O-N 3.21Å; W576-C580 HydrophobicContact CE3-CB 4.36Å; W576-V581 HydrophobicContact CB-CG1 3.58Å; W576-V581 HydrophobicContact CG-CG1 4.2Å
577	P	94.8	Very high	88.3	Confident	80 Å²	80	107.7 Å²	107.7	52%	0.519	58%	0.581	S	S	.	*	P	Polyproline II helix	trans	-51.4	134.5	169	-25.4	34.7	0	0	0	111.4	D579 C580 V581	P577-D579 VanDerWaalsContact C-N 3.28Å; P577-D579 WeakPolarHBondContact CB-OD1 3.5Å; P577-D579 PolarHBondContact O-N 3.39Å; P577-C580 HydrophobicContact CB-CB 4.4Å; P577-C580 WeakPolarHBondContact O-CA 3.37Å; P577-C580 WeakPolarHBondContact O-CB 3.47Å; P577-C580 PolarHBondContact O-N 3.26Å; P577-V581 PolarHBondContact O-N 3.09Å
578	E	90.4	Very high	86.8	Confident	170 Å²	170	117.4 Å²	117.4	79%	0.794	63%	0.632	S	S	*	*	H	α-helix	trans	-57.7	-40.8	-170.9	-67.3	-175.7	169.8	0	0	112.7	W576 C580 V581 A582	W576-E578 PolarHBondContact O-N 3.21Å; E578-C580 VanDerWaalsContact C-N 3.26Å; E578-C580 PolarHBondContact O-N 3.22Å; E578-V581 CarbonylContact O-C 3.57Å; E578-V581 WeakPolarHBondContact O-CG2 3.35Å; E578-V581 PolarHBondContact O-N 3.01Å; E578-V581 VanDerWaalsContact O-N 3.14Å; E578-A582 PolarHBondContact O-N 3.35Å
579	D	91.6	Very high	86.6	Confident	136 Å²	136	122.4 Å²	122.4	73%	0.727	66%	0.658	S	S	*	*	H	α-helix	trans	-61.8	-29.6	176	43.4	-40.4	0	0	0	113	P577	P577-D579 VanDerWaalsContact C-N 3.28Å; P577-D579 WeakPolarHBondContact CB-OD1 3.5Å; P577-D579 PolarHBondContact O-N 3.39Å
580	C	90.6	Very high	86.4	Confident	86 Å²	86	127.9 Å²	127.9	58%	0.581	69%	0.689	S	S	*	*	H	α-helix	trans	-80.1	-21.6	174.8	-66	0	0	0	0	113.6	W576 P577 E578	W576-C580 HydrophobicContact CE3-CB 4.36Å; P577-C580 HydrophobicContact CB-CB 4.4Å; P577-C580 WeakPolarHBondContact O-CA 3.37Å; P577-C580 WeakPolarHBondContact O-CB 3.47Å; P577-C580 PolarHBondContact O-N 3.26Å; E578-C580 VanDerWaalsContact C-N 3.26Å; E578-C580 PolarHBondContact O-N 3.22Å
581	V	92.8	Very high	86.4	Confident	84 Å²	84	134.4 Å²	134.4	51%	0.509	72%	0.722	S	S	.	*	H	α-helix	trans	-106.9	4.7	179.1	-65.5	0	0	0	0	113.5	W576 P577 E578 V583	W576-V581 HydrophobicContact CB-CG1 3.58Å; W576-V581 HydrophobicContact CG-CG1 4.2Å; P577-V581 PolarHBondContact O-N 3.09Å; E578-V581 CarbonylContact O-C 3.57Å; E578-V581 WeakPolarHBondContact O-CG2 3.35Å; E578-V581 PolarHBondContact O-N 3.01Å; E578-V581 VanDerWaalsContact O-N 3.14Å; V581-V583 PolarHBondContact O-N 3.14Å
582	A	90.8	Very high	86.5	Confident	67 Å²	67	136.6 Å²	136.6	55%	0.554	73%	0.731	S	S	*	*			trans	-59.1	121	175.7	0	0	0	0	0	110.6	E578 Q584	E578-A582 PolarHBondContact O-N 3.35Å; A582-Q584 PolarHBondContact O-N 3.36Å; A582-Q584 VanDerWaalsContact O-N 3.09Å
583	V	90.5	Very high	86.6	Confident	130 Å²	130	139.4 Å²	139.4	79%	0.788	75%	0.746	S	S	*	*			trans	-68	111.7	179.4	179.8	0	0	0	0	109	V581 S585	V581-V583 PolarHBondContact O-N 3.14Å; V583-S585 PolarHBondContact O-N 2.95Å
584	Q	88.6	Confident	86.8	Confident	192 Å²	192	142 Å²	142	90%	0.897	75%	0.748	S	S	*	*			trans	-63.7	121	171.3	-64.4	-177.3	0.9	0	0	108.7	A582	A582-Q584 PolarHBondContact O-N 3.36Å; A582-Q584 VanDerWaalsContact O-N 3.09Å
585	S	85.9	Confident	86.7	Confident	117 Å²	117	140.4 Å²	140.4	82%	0.818	76%	0.756	S	S	*	*			trans	-123.9	132.7	176.6	58.9	0	0	0	0	110.1	V583	V583-S585 PolarHBondContact O-N 2.95Å
586	C	82	Confident	86.4	Confident	112 Å²	112	136.4 Å²	136.4	76%	0.757	74%	0.744	S	S	*	*			trans	-126.8	122.3	167.7	-174.1	0	0	0	0	106.1	L588	C586-L588 PolarHBondContact O-N 3.27Å
587	K	71.1	Confident	85.8	Confident	210 Å²	210	135.3 Å²	135.3	91%	0.913	76%	0.759	S	S	*	*			trans	-73.1	111.8	172.1	-78.2	-176.3	175.7	-179.7	0	107.5
588	L	60.7	Low	85	Confident	239 Å²	239	140.3 Å²	140.3	100%	1.251	78%	0.781	S	S	*	*			trans	-78.6	0	168.4	-76.3	168.1	0	0	0	110.9	C586	C586-L588 PolarHBondContact O-N 3.27Å

Retrieved 588 of 588 residues in 158 ms (Link to these results)

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