A0A5K4FCG5_SCHMA Loading...

Aminomethyltransferase AlphaSync

The glycine cleavage system catalyzes the degradation of glycine.

AlphaFold DB , UniProt , Accession A0A5K4FCG5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 409 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.1	Very low	28.1	Very low	246 Å²	246	165.5 Å²	165.5	100%	1.212	84%	0.838	S	S	*	*				0	117.4	0	-159	173.8	-85.6	0	0	106.7
2	R	28.1	Very low	28.5	Very low	248 Å²	248	159.8 Å²	159.8	94%	0.936	81%	0.81	S	S	*	*			trans	-67.6	134.3	-165.8	-66.6	175.1	174.1	179.2	-2.6	111.4
3	L	26.5	Very low	28.9	Very low	170 Å²	170	157.5 Å²	157.5	89%	0.89	81%	0.808	S	S	*	*			trans	-145.4	140.3	153.3	-95.3	137.3	0	0	0	109.2
4	P	31.4	Very low	29.4	Very low	116 Å²	116	149.9 Å²	149.9	75%	0.753	77%	0.773	S	S	*	*			trans	-100.8	152.2	-152.5	19.3	-0.8	0	0	0	113.9	Q6	P4-Q6 PolarHBondContact O-N 3.33Å
5	L	26	Very low	29.7	Very low	170 Å²	170	149.8 Å²	149.8	89%	0.89	77%	0.773	S	S	*	*			trans	-55.7	111.2	168.5	-80.9	139.6	0	0	0	111.2	V7	L5-V7 PolarHBondContact O-N 3.22Å
6	Q	27.3	Very low	30.2	Very low	192 Å²	192	153.3 Å²	153.3	90%	0.897	77%	0.773	S	S	*	*			trans	-82.6	102	171.5	-147.2	173.5	7.6	0	0	108.7	P4 C8	P4-Q6 PolarHBondContact O-N 3.33Å; Q6-C8 PolarHBondContact O-N 3.18Å
7	V	26.7	Very low	30.6	Very low	121 Å²	121	147.9 Å²	147.9	73%	0.733	75%	0.754	S	S	*	*			trans	-72.3	106.6	176.5	177.8	0	0	0	0	109	L5 R9	L5-V7 PolarHBondContact O-N 3.22Å; V7-R9 HydrophobicContact CG1-CG 4.49Å; V7-R9 PolarHBondContact O-N 3.39Å
8	C	25.5	Very low	30.9	Very low	108 Å²	108	150.4 Å²	150.4	73%	0.73	76%	0.758	S	S	*	*			trans	-84.2	94	175.9	-150.2	0	0	0	0	109.9	Q6 L10	Q6-C8 PolarHBondContact O-N 3.18Å; C8-L10 PolarHBondContact O-N 3.23Å
9	R	26	Very low	31.6	Very low	229 Å²	229	144.7 Å²	144.7	86%	0.864	73%	0.734	S	S	*	*			trans	-81.5	95.3	165.6	-83.5	-176.1	171.3	-170.4	-1.9	108.9	V7 C11	V7-R9 HydrophobicContact CG1-CG 4.49Å; V7-R9 PolarHBondContact O-N 3.39Å; R9-C11 PolarHBondContact O-N 3.17Å
10	L	28.5	Very low	32.5	Very low	119 Å²	119	146.4 Å²	146.4	62%	0.623	75%	0.745	S	S	*	*			trans	-84.6	104.7	167.3	-103.1	120.1	0	0	0	109.7	C8	C8-L10 PolarHBondContact O-N 3.23Å
11	C	29.6	Very low	34	Very low	102 Å²	102	146.3 Å²	146.3	69%	0.689	74%	0.742	S	S	*	*			trans	-59.9	152.9	172.9	-77.4	0	0	0	0	113	R9 T13	R9-C11 PolarHBondContact O-N 3.17Å; C11-T13 PolarHBondContact O-N 2.92Å
12	I	33.3	Very low	36.5	Very low	97 Å²	97	142.6 Å²	142.6	50%	0.497	73%	0.725	S	S	.	*			trans	-53.6	124.3	159.1	-62.9	165.8	0	0	0	107.7	V14	I12-V14 HydrophobicContact CG2-CG2 4.13Å; I12-V14 PolarHBondContact O-N 2.71Å
13	T	34.3	Very low	39.5	Very low	129 Å²	129	133 Å²	133	79%	0.791	69%	0.692	S	S	*	*			trans	-72.9	72.4	171.3	-33.3	0	0	0	0	109.2	C11	C11-T13 PolarHBondContact O-N 2.92Å
14	V	35.6	Very low	42.8	Very low	51 Å²	51	130.7 Å²	130.7	31%	0.309	68%	0.675	S	S	.	*			trans	-69.8	125.1	141.4	-179.9	0	0	0	0	103.3	I12 R16 I40	I12-V14 HydrophobicContact CG2-CG2 4.13Å; I12-V14 PolarHBondContact O-N 2.71Å; V14-R16 PolarHBondContact O-N 3.11Å; V14-I40 HydrophobicContact CG2-CD1 4.25Å
15	L	34.3	Very low	45.9	Very low	149 Å²	149	132.4 Å²	132.4	78%	0.78	67%	0.667	S	S	*	*			trans	-54.1	94	164.4	-90.6	150.2	0	0	0	106.9	S17	L15-S17 PolarHBondContact O-N 2.99Å
16	R	36.2	Very low	49.3	Very low	205 Å²	205	124.6 Å²	124.6	77%	0.774	63%	0.626	S	S	*	*			trans	-70.9	78.5	162.9	-88.3	-175.4	170	-173.7	-5.7	105.5	V14 F18	V14-R16 PolarHBondContact O-N 3.11Å; R16-F18 PolarHBondContact O-N 3.41Å
17	S	37.3	Very low	52.6	Low	63 Å²	63	118.2 Å²	118.2	44%	0.441	60%	0.601	S	S	.	*			trans	-67.9	117.1	152.1	102.1	0	0	0	0	104.7	L15 S19	L15-S17 PolarHBondContact O-N 2.99Å; S17-S19 PolarHBondContact O-N 3.02Å; S17-S19 WeakPolarHBondContact OG-CB 2.93Å; S17-S19 PolarHBondContact OG-N 2.83Å
18	F	36.6	Very low	56.1	Low	192 Å²	192	112.5 Å²	112.5	84%	0.842	57%	0.566	S	S	*	*			trans	-74.4	71.2	156	-80.5	-87.6	0	0	0	105.5	R16	R16-F18 PolarHBondContact O-N 3.41Å
19	S	44.8	Very low	59.5	Low	43 Å²	43	109.4 Å²	109.4	30%	0.301	54%	0.54	S	S	.	.			trans	-73.5	126.7	163.9	66	0	0	0	0	106.1	S17 E21	S17-S19 PolarHBondContact O-N 3.02Å; S17-S19 WeakPolarHBondContact OG-CB 2.93Å; S17-S19 PolarHBondContact OG-N 2.83Å; S19-E21 PolarHBondContact O-N 2.81Å
20	N	49.2	Very low	62.9	Low	178 Å²	178	103.7 Å²	103.7	95%	0.952	53%	0.526	S	S	*	.			trans	-70.4	18.1	164.6	-90.8	-20.5	0	0	0	111.2
21	E	63.9	Low	66.2	Low	145 Å²	145	98.3 Å²	98.3	68%	0.678	50%	0.498	S	S	*	.	S	Bend	trans	-90.2	134.3	-179.8	-70.1	-168.7	160	0	0	109.9	S19 L23	S19-E21 PolarHBondContact O-N 2.81Å; E21-L23 PolarHBondContact O-N 3.22Å
22	I	85.5	Confident	69.5	Low	167 Å²	167	93.6 Å²	93.6	86%	0.856	47%	0.466	S	S	*	.			trans	-65.9	110.4	177.6	-62.6	171.1	0	0	0	107.8	K24	I22-K24 PolarHBondContact O-N 3.45Å
23	L	91.9	Very high	72.5	Confident	48 Å²	48	92.6 Å²	92.6	25%	0.251	46%	0.461	S	S	.	.			trans	-57.1	137.3	175.1	-62.8	177.2	0	0	0	110.5	E21 D41	E21-L23 PolarHBondContact O-N 3.22Å; L23-D41 HydrophobicContact CD1-CB 3.9Å; L23-D41 HydrophobicContact CD2-CB 3.93Å; L23-D41 VanDerWaalsContact CD2-CG 3.48Å
24	K	94.6	Very high	75.5	Confident	121 Å²	121	89.9 Å²	89.9	53%	0.526	45%	0.447	S	S	.	.	B	Isolated β-bridge	trans	-62.3	153	171.7	-63.3	-179.3	-178.5	179.9	0	110	I22 N44 F45 S46	I22-K24 PolarHBondContact O-N 3.45Å; K24-N44 WeakPolarHBondContact CB-O 3.39Å; K24-N44 PolarHBondContact N-O 2.76Å; K24-F45 HydrophobicContact CB-CD1 3.53Å; K24-F45 HydrophobicContact CB-CD2 4.36Å; K24-F45 HydrophobicContact CB-CE1 3.6Å; K24-F45 HydrophobicContact CB-CE2 4.42Å; K24-F45 HydrophobicContact CB-CG 3.94Å; K24-F45 HydrophobicContact CB-CZ 4.06Å; K24-F45 HydrophobicContact CD-CE1 4.16Å; K24-F45 HydrophobicContact CD-CE2 4Å; K24-F45 HydrophobicContact CD-CZ 3.78Å; K24-F45 CarbonylContact O-C 3.47Å; K24-F45 VanDerWaalsContact O-CA 3.28Å; K24-F45 WeakPolarHBondContact O-CA 3.38Å; K24-S46 PolarHBondContact O-N 3.42Å
25	R	96.6	Very high	78.4	Confident	152 Å²	152	90.8 Å²	90.8	57%	0.574	45%	0.448	S	S	*	.			trans	-120.1	140.2	178.1	-67.4	-179.3	-178.9	-179.8	2.3	109.2	Y29	R25-Y29 HydrophobicContact CB-CD2 4.2Å; R25-Y29 HydrophobicContact CB-CG 4.11Å; R25-Y29 HydrophobicContact CG-CD1 4.47Å; R25-Y29 HydrophobicContact CG-CD2 3.7Å; R25-Y29 HydrophobicContact CG-CE2 4.15Å; R25-Y29 HydrophobicContact CG-CG 3.88Å
26	T	97.6	Very high	81.3	Confident	6 Å²	6	91.4 Å²	91.4	4%	0.037	44%	0.444	C	S	.	.			trans	-74.1	160	165.7	61.6	0	0	0	0	109.4	L28 Y29 F45 M47 D71 H74	T26-L28 PolarHBondContact O-N 2.92Å; T26-L28 VanDerWaalsContact O-N 3.09Å; T26-Y29 WeakPolarHBondContact O-CB 3.45Å; T26-Y29 PolarHBondContact O-N 2.97Å; T26-F45 HydrophobicContact CG2-CD1 4.27Å; T26-M47 HydrophobicContact CG2-CE 4.22Å; T26-M47 HydrophobicContact CG2-SD 3.55Å; T26-M47 VanDerWaalsContact CG2-SD 3.55Å; T26-D71 VanDerWaalsContact CB-OD2 3.28Å; T26-D71 WeakPolarHBondContact CB-OD2 3.34Å; T26-D71 WeakPolarHBondContact CG2-OD2 3.14Å; T26-D71 PolarHBondContact OG1-OD2 2.89Å; T26-H74 HydrophobicContact CG2-CB 4.28Å
27	P	97.5	Very high	84.3	Confident	57 Å²	57	82.3 Å²	82.3	37%	0.37	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-21.8	171.7	-28.7	39.1	0	0	0	113.8	S169 I241	P27-S169 WeakPolarHBondContact CB-OG 3.34Å; P27-S169 VanDerWaalsContact CG-OG 3.31Å; P27-S169 WeakPolarHBondContact CG-OG 3.43Å; P27-I241 WeakPolarHBondContact O-CD1 3.28Å
28	L	98.3	Very high	87.1	Confident	2 Å²	2	85 Å²	85	1%	0.01	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	10	176.8	-68.7	113.6	0	0	0	114.4	T26 D30 F31 H32 D71 L171 A240 I241 A244	T26-L28 PolarHBondContact O-N 2.92Å; T26-L28 VanDerWaalsContact O-N 3.09Å; L28-D30 VanDerWaalsContact C-N 3.33Å; L28-D30 PolarHBondContact O-N 3.13Å; L28-F31 HydrophobicContact CB-CB 4.36Å; L28-F31 HydrophobicContact CD2-CB 4.41Å; L28-F31 HydrophobicContact CD2-CD1 4.13Å; L28-F31 HydrophobicContact CD2-CG 4.31Å; L28-F31 WeakPolarHBondContact O-CB 3.33Å; L28-F31 PolarHBondContact O-N 3.3Å; L28-F31 VanDerWaalsContact O-N 3.1Å; L28-H32 PolarHBondContact O-CD2 2.96Å; L28-H32 PolarHBondContact O-N 2.83Å; L28-D71 HydrophobicContact CD1-CB 4.47Å; L28-L171 HydrophobicContact CD1-CD2 3.62Å; L28-L171 HydrophobicContact CD2-CD2 3.88Å; L28-L171 HydrophobicContact CG-CD2 4.42Å; L28-A240 HydrophobicContact CD1-CB 4.13Å; L28-A240 HydrophobicContact CG-CB 4.43Å; L28-I241 HydrophobicContact CG-CG1 4.42Å; L28-A244 HydrophobicContact CD2-CB 3.49Å; L28-A244 VanDerWaalsContact CD2-CB 3.49Å
29	Y	98.1	Very high	90	Very high	42 Å²	42	77.8 Å²	77.8	17%	0.165	39%	0.386	C	S	.	.	H	α-helix	trans	-53.1	-48.9	-179	176.4	-90.6	0	0	0	112.6	R25 T26 F31 H32 I33 M39	R25-Y29 HydrophobicContact CB-CD2 4.2Å; R25-Y29 HydrophobicContact CB-CG 4.11Å; R25-Y29 HydrophobicContact CG-CD1 4.47Å; R25-Y29 HydrophobicContact CG-CD2 3.7Å; R25-Y29 HydrophobicContact CG-CE2 4.15Å; R25-Y29 HydrophobicContact CG-CG 3.88Å; T26-Y29 WeakPolarHBondContact O-CB 3.45Å; T26-Y29 PolarHBondContact O-N 2.97Å; Y29-F31 VanDerWaalsContact C-N 3.3Å; Y29-F31 PolarHBondContact O-N 3.4Å; Y29-H32 WeakPolarHBondContact O-CB 3.49Å; Y29-H32 PolarHBondContact O-N 3.28Å; Y29-H32 VanDerWaalsContact O-N 3.12Å; Y29-I33 HydrophobicContact CD1-CG1 4.19Å; Y29-I33 HydrophobicContact CE1-CD1 4.33Å; Y29-I33 HydrophobicContact CE1-CG1 3.72Å; Y29-I33 HydrophobicContact CE2-CD1 4.45Å; Y29-I33 WeakPolarHBondContact O-CG1 3.32Å; Y29-I33 PolarHBondContact O-N 3.13Å; Y29-I33 VanDerWaalsContact O-N 3.09Å; Y29-M39 HydrophobicContact CD2-CE 3.84Å; Y29-M39 HydrophobicContact CE2-CE 4Å
30	D	97.2	Very high	92.4	Very high	110 Å²	110	77.2 Å²	77.2	59%	0.588	38%	0.379	S	S	*	.	H	α-helix	trans	-68.4	-30.7	-178.9	-65.8	-35	0	0	0	112.3	L28 I33 S34	L28-D30 VanDerWaalsContact C-N 3.33Å; L28-D30 PolarHBondContact O-N 3.13Å; D30-I33 PolarHBondContact O-N 3.49Å; D30-S34 PolarHBondContact O-N 3.12Å
31	F	98.1	Very high	94.7	Very high	6 Å²	6	70.4 Å²	70.4	3%	0.026	34%	0.343	C	S	.	.	H	α-helix	trans	-62.3	-43.9	170	171.5	-91.9	0	0	0	111.1	L28 Y29 I33 S34 Q35 I241 A244 E245 V248 P255	L28-F31 HydrophobicContact CB-CB 4.36Å; L28-F31 HydrophobicContact CD2-CB 4.41Å; L28-F31 HydrophobicContact CD2-CD1 4.13Å; L28-F31 HydrophobicContact CD2-CG 4.31Å; L28-F31 WeakPolarHBondContact O-CB 3.33Å; L28-F31 PolarHBondContact O-N 3.3Å; L28-F31 VanDerWaalsContact O-N 3.1Å; Y29-F31 VanDerWaalsContact C-N 3.3Å; Y29-F31 PolarHBondContact O-N 3.4Å; F31-I33 VanDerWaalsContact C-N 3.33Å; F31-I33 PolarHBondContact O-N 2.71Å; F31-S34 PolarHBondContact O-N 3.35Å; F31-S34 PolarHBondContact O-OG 3.07Å; F31-Q35 HydrophobicContact CD1-CG 4.33Å; F31-Q35 HydrophobicContact CD2-CG 4.45Å; F31-Q35 HydrophobicContact CE1-CG 3.95Å; F31-Q35 HydrophobicContact CE2-CG 4.08Å; F31-Q35 HydrophobicContact CZ-CG 3.81Å; F31-Q35 VanDerWaalsContact O-CG 3.27Å; F31-Q35 WeakPolarHBondContact O-CG 3.44Å; F31-Q35 PolarHBondContact O-N 2.79Å; F31-I241 HydrophobicContact CB-CG1 4.3Å; F31-A244 HydrophobicContact CD2-CB 4.36Å; F31-A244 HydrophobicContact CE1-CB 4.34Å; F31-A244 HydrophobicContact CE2-CB 4.08Å; F31-A244 HydrophobicContact CZ-CB 4.08Å; F31-E245 HydrophobicContact CD2-CG 4.03Å; F31-E245 HydrophobicContact CE2-CG 4.02Å; F31-V248 HydrophobicContact CE2-CG2 4.12Å; F31-V248 HydrophobicContact CZ-CG1 3.97Å; F31-V248 HydrophobicContact CZ-CG2 4.12Å; F31-P255 HydrophobicContact CE1-CB 4.36Å
32	H	98.2	Very high	96	Very high	2 Å²	2	66.6 Å²	66.6	1%	0.009	32%	0.324	C	S	.	.	H	α-helix	trans	-63.1	-41.1	177.1	-61.7	-44.2	0	0	0	112.4	L28 Y29 Q35 K36 A37 M39 Y51 D71	L28-H32 PolarHBondContact O-CD2 2.96Å; L28-H32 PolarHBondContact O-N 2.83Å; Y29-H32 WeakPolarHBondContact O-CB 3.49Å; Y29-H32 PolarHBondContact O-N 3.28Å; Y29-H32 VanDerWaalsContact O-N 3.12Å; H32-Q35 CarbonylContact O-C 3.52Å; H32-Q35 PolarHBondContact O-N 3.48Å; H32-K36 PolarHBondContact O-N 3.41Å; H32-A37 HydrophobicContact CB-CB 3.88Å; H32-A37 WeakPolarHBondContact O-CB 3.5Å; H32-A37 PolarHBondContact O-N 3.06Å; H32-M39 HydrophobicContact CB-CE 3.91Å; H32-M39 HydrophobicContact CB-SD 3.83Å; H32-Y51 PolarHBondContact CE1-OH 2.6Å; H32-Y51 AromaticContact ND1-CZ 3.81Å; H32-Y51 PolarHBondContact ND1-OH 3.38Å; H32-D71 IonicContact CD2-OD2 3.91Å; H32-D71 WeakPolarHBondContact CE1-CB 3.27Å; H32-D71 IonicContact CE1-OD2 2.79Å; H32-D71 VanDerWaalsContact NE2-CB 3.29Å; H32-D71 WeakPolarHBondContact NE2-CB 3.5Å; H32-D71 IonicContact NE2-OD2 2.84Å; H32-D71 PolarHBondContact NE2-OD2 2.88Å
33	I	97.7	Very high	96.2	Very high	77 Å²	77	60.6 Å²	60.6	40%	0.395	30%	0.297	S	S	.	.	H	α-helix	trans	-63.5	-43.1	176.2	-61.7	-56.5	0	0	0	110.9	Y29 D30 F31 Q35 K36 M39	Y29-I33 HydrophobicContact CD1-CG1 4.19Å; Y29-I33 HydrophobicContact CE1-CD1 4.33Å; Y29-I33 HydrophobicContact CE1-CG1 3.72Å; Y29-I33 HydrophobicContact CE2-CD1 4.45Å; Y29-I33 WeakPolarHBondContact O-CG1 3.32Å; Y29-I33 PolarHBondContact O-N 3.13Å; Y29-I33 VanDerWaalsContact O-N 3.09Å; D30-I33 PolarHBondContact O-N 3.49Å; F31-I33 VanDerWaalsContact C-N 3.33Å; F31-I33 PolarHBondContact O-N 2.71Å; I33-Q35 VanDerWaalsContact C-N 3.27Å; I33-Q35 PolarHBondContact O-N 2.91Å; I33-K36 WeakPolarHBondContact O-CA 3.29Å; I33-K36 PolarHBondContact O-N 3.28Å; I33-M39 HydrophobicContact CD1-CG 3.7Å; I33-M39 HydrophobicContact CD1-SD 4.36Å
34	S	96.5	Very high	96.2	Very high	71 Å²	71	62.8 Å²	62.8	50%	0.497	31%	0.309	S	S	.	.	H	α-helix	trans	-64.1	-33.6	178	80.4	0	0	0	0	112.3	D30 F31 K36	D30-S34 PolarHBondContact O-N 3.12Å; F31-S34 PolarHBondContact O-N 3.35Å; F31-S34 PolarHBondContact O-OG 3.07Å; S34-K36 PolarHBondContact O-N 2.82Å
35	Q	96	Very high	96.2	Very high	71 Å²	71	58.6 Å²	58.6	33%	0.332	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	8.2	172	-60.9	-57.9	-52.1	0	0	113.7	F31 H32 I33 A37 Y51 P255	F31-Q35 HydrophobicContact CD1-CG 4.33Å; F31-Q35 HydrophobicContact CD2-CG 4.45Å; F31-Q35 HydrophobicContact CE1-CG 3.95Å; F31-Q35 HydrophobicContact CE2-CG 4.08Å; F31-Q35 HydrophobicContact CZ-CG 3.81Å; F31-Q35 VanDerWaalsContact O-CG 3.27Å; F31-Q35 WeakPolarHBondContact O-CG 3.44Å; F31-Q35 PolarHBondContact O-N 2.79Å; H32-Q35 CarbonylContact O-C 3.52Å; H32-Q35 PolarHBondContact O-N 3.48Å; I33-Q35 VanDerWaalsContact C-N 3.27Å; I33-Q35 PolarHBondContact O-N 2.91Å; Q35-A37 VanDerWaalsContact C-N 3.31Å; Q35-A37 PolarHBondContact O-N 3.38Å; Q35-Y51 HydrophobicContact CB-CD1 3.64Å; Q35-Y51 HydrophobicContact CB-CE1 3.66Å; Q35-Y51 WeakPolarHBondContact O-CD1 3.47Å; Q35-P255 HydrophobicContact CB-CG 4.48Å; Q35-P255 HydrophobicContact CG-CG 4.37Å
36	K	96.6	Very high	96.2	Very high	161 Å²	161	52 Å²	52	70%	0.7	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	39.6	179.5	-54.4	176.5	-178	173	0	113.1	H32 I33 S34 A52	H32-K36 PolarHBondContact O-N 3.41Å; I33-K36 WeakPolarHBondContact O-CA 3.29Å; I33-K36 PolarHBondContact O-N 3.28Å; S34-K36 PolarHBondContact O-N 2.82Å; K36-A52 HydrophobicContact CB-CB 3.85Å; K36-A52 WeakPolarHBondContact O-CB 3.31Å; K36-A52 PolarHBondContact O-N 3.06Å; K36-A52 VanDerWaalsContact O-N 3.17Å
37	A	97.5	Very high	96.3	Very high	14 Å²	14	51.8 Å²	51.8	12%	0.116	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	143.2	174.6	0	0	0	0	0	112.4	H32 Q35 M39 P48 Y51	H32-A37 HydrophobicContact CB-CB 3.88Å; H32-A37 WeakPolarHBondContact O-CB 3.5Å; H32-A37 PolarHBondContact O-N 3.06Å; Q35-A37 VanDerWaalsContact C-N 3.31Å; Q35-A37 PolarHBondContact O-N 3.38Å; A37-M39 HydrophobicContact CB-SD 3.63Å; A37-M39 PolarHBondContact O-N 2.9Å; A37-P48 HydrophobicContact CB-CB 3.71Å; A37-Y51 HydrophobicContact CB-CD1 3.72Å; A37-Y51 HydrophobicContact CB-CE1 3.6Å; A37-Y51 HydrophobicContact CB-CG 4.46Å
38	K	97	Very high	96.3	Very high	121 Å²	121	49.2 Å²	49.2	53%	0.526	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	104.7	164.3	-173.9	-179.3	-174.7	173.7	0	109.3	L49 H50	K38-L49 WeakPolarHBondContact O-CB 3.49Å; K38-L49 PolarHBondContact O-N 2.82Å; K38-H50 VanDerWaalsContact CD-CE1 3.47Å; K38-H50 WeakPolarHBondContact CD-CE1 3.38Å; K38-H50 PolarHBondContact N-O 3.35Å
39	M	97.2	Very high	96.2	Very high	40 Å²	40	50.3 Å²	50.3	20%	0.197	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	144.5	-178.6	-50.3	-54.6	-80.7	0	0	112.2	Y29 H32 I33 A37 S46 M47 P48	Y29-M39 HydrophobicContact CD2-CE 3.84Å; Y29-M39 HydrophobicContact CE2-CE 4Å; H32-M39 HydrophobicContact CB-CE 3.91Å; H32-M39 HydrophobicContact CB-SD 3.83Å; I33-M39 HydrophobicContact CD1-CG 3.7Å; I33-M39 HydrophobicContact CD1-SD 4.36Å; A37-M39 HydrophobicContact CB-SD 3.63Å; A37-M39 PolarHBondContact O-N 2.9Å; M39-S46 VanDerWaalsContact CE-O 3.28Å; M39-S46 WeakPolarHBondContact CE-O 3.43Å; M39-M47 CarbonylContact C-O 3.49Å; M39-M47 WeakPolarHBondContact CA-O 3.24Å; M39-P48 HydrophobicContact SD-CB 4.1Å
40	I	96.4	Very high	96.1	Very high	31 Å²	31	50.6 Å²	50.6	16%	0.159	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	163.4	174.6	60.9	158.5	0	0	0	111.1	V14 F42 S46 M47 L49 L258	V14-I40 HydrophobicContact CG2-CD1 4.25Å; I40-F42 HydrophobicContact CD1-CB 4.43Å; I40-F42 PolarHBondContact O-N 3.03Å; I40-S46 WeakPolarHBondContact O-CA 3.41Å; I40-M47 PolarHBondContact N-O 2.85Å; I40-M47 PolarHBondContact O-N 2.77Å; I40-L49 HydrophobicContact CD1-CB 4.18Å; I40-L49 HydrophobicContact CD1-CD1 3.86Å; I40-L49 HydrophobicContact CG1-CB 4.04Å; I40-L49 HydrophobicContact CG2-CB 3.84Å; I40-L49 HydrophobicContact CG2-CD2 4.09Å; I40-L49 HydrophobicContact CG2-CG 4.47Å; I40-L258 HydrophobicContact CD1-CD1 4.15Å; I40-L258 HydrophobicContact CG1-CD1 4.36Å
41	D	95.6	Very high	96.1	Very high	35 Å²	35	45.4 Å²	45.4	19%	0.187	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	118.3	162.1	-178.6	-1	0	0	0	109.4	L23 N44	L23-D41 HydrophobicContact CD1-CB 3.9Å; L23-D41 HydrophobicContact CD2-CB 3.93Å; L23-D41 VanDerWaalsContact CD2-CG 3.48Å; D41-N44 WeakPolarHBondContact OD1-CA 3.31Å; D41-N44 PolarHBondContact OD1-N 2.85Å; D41-N44 VanDerWaalsContact OD1-N 3.16Å
42	F	92.8	Very high	95.7	Very high	64 Å²	64	48.8 Å²	48.8	28%	0.281	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	111.8	170.4	-175.7	-103.5	0	0	0	109	I40 N44 F45 M47 H74 L258	I40-F42 HydrophobicContact CD1-CB 4.43Å; I40-F42 PolarHBondContact O-N 3.03Å; F42-N44 VanDerWaalsContact C-N 3.29Å; F42-N44 PolarHBondContact O-N 2.94Å; F42-F45 PolarHBondContact N-O 3.35Å; F42-F45 WeakPolarHBondContact O-CB 3.47Å; F42-F45 PolarHBondContact O-N 3.43Å; F42-M47 HydrophobicContact CB-CB 4.09Å; F42-M47 HydrophobicContact CB-CG 4.15Å; F42-M47 HydrophobicContact CD1-CG 4.42Å; F42-H74 AromaticContact CE1-NE2 3.72Å; F42-L258 HydrophobicContact CB-CD1 3.51Å; F42-L258 HydrophobicContact CD1-CD1 3.73Å; F42-L258 HydrophobicContact CD1-CD2 4.09Å; F42-L258 HydrophobicContact CD2-CD1 3.85Å; F42-L258 HydrophobicContact CE1-CD1 4.4Å; F42-L258 HydrophobicContact CE1-CD2 4.04Å; F42-L258 HydrophobicContact CG-CD1 3.41Å; F42-L258 VanDerWaalsContact CG-CD1 3.41Å; F42-L258 HydrophobicContact CZ-CD2 4.43Å
43	C	88.6	Confident	95.3	Very high	42 Å²	42	54.4 Å²	54.4	28%	0.284	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	39.5	-178.9	-54.5	0	0	0	0	113.6	F45 A137 A138	C43-F45 WeakPolarHBondContact O-CD2 3.44Å; C43-F45 PolarHBondContact O-N 3.08Å; C43-A137 HydrophobicContact CB-CB 4.17Å; C43-A138 HydrophobicContact CB-CB 4.37Å
44	N	91.5	Very high	95.1	Very high	94 Å²	94	51.3 Å²	51.3	50%	0.503	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.3	14.1	-175.5	-50.8	-48	0	0	0	114.6	K24 D41 F42	K24-N44 WeakPolarHBondContact CB-O 3.39Å; K24-N44 PolarHBondContact N-O 2.76Å; D41-N44 WeakPolarHBondContact OD1-CA 3.31Å; D41-N44 PolarHBondContact OD1-N 2.85Å; D41-N44 VanDerWaalsContact OD1-N 3.16Å; F42-N44 VanDerWaalsContact C-N 3.29Å; F42-N44 PolarHBondContact O-N 2.94Å
45	F	95.5	Very high	95.1	Very high	33 Å²	33	50.2 Å²	50.2	15%	0.145	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	145.7	170.2	-74	-99.4	0	0	0	110.9	K24 T26 F42 C43 M47 H74	K24-F45 HydrophobicContact CB-CD1 3.53Å; K24-F45 HydrophobicContact CB-CD2 4.36Å; K24-F45 HydrophobicContact CB-CE1 3.6Å; K24-F45 HydrophobicContact CB-CE2 4.42Å; K24-F45 HydrophobicContact CB-CG 3.94Å; K24-F45 HydrophobicContact CB-CZ 4.06Å; K24-F45 HydrophobicContact CD-CE1 4.16Å; K24-F45 HydrophobicContact CD-CE2 4Å; K24-F45 HydrophobicContact CD-CZ 3.78Å; K24-F45 CarbonylContact O-C 3.47Å; K24-F45 VanDerWaalsContact O-CA 3.28Å; K24-F45 WeakPolarHBondContact O-CA 3.38Å; T26-F45 HydrophobicContact CG2-CD1 4.27Å; F42-F45 PolarHBondContact N-O 3.35Å; F42-F45 WeakPolarHBondContact O-CB 3.47Å; F42-F45 PolarHBondContact O-N 3.43Å; C43-F45 WeakPolarHBondContact O-CD2 3.44Å; C43-F45 PolarHBondContact O-N 3.08Å; F45-M47 HydrophobicContact CB-CG 3.73Å; F45-M47 HydrophobicContact CB-SD 4Å; F45-M47 PolarHBondContact O-N 2.93Å; F45-H74 HydrophobicContact CB-CB 4.37Å; F45-H74 HydrophobicContact CD1-CB 3.98Å; F45-H74 HydrophobicContact CD2-CB 3.87Å; F45-H74 HydrophobicContact CE1-CB 4.17Å; F45-H74 HydrophobicContact CE2-CB 4.07Å; F45-H74 HydrophobicContact CG-CB 3.82Å; F45-H74 HydrophobicContact CZ-CB 4.21Å
46	S	97.4	Very high	95.1	Very high	14 Å²	14	49.7 Å²	49.7	10%	0.098	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	101.5	167.7	-164.9	0	0	0	0	109.3	K24 M39 I40	K24-S46 PolarHBondContact O-N 3.42Å; M39-S46 VanDerWaalsContact CE-O 3.28Å; M39-S46 WeakPolarHBondContact CE-O 3.43Å; I40-S46 WeakPolarHBondContact O-CA 3.41Å
47	M	97.9	Very high	95.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	149.7	-172.3	-64.6	-60.4	-63.9	0	0	112.2	T26 M39 I40 F42 F45 L49 D71 H74 L258	T26-M47 HydrophobicContact CG2-CE 4.22Å; T26-M47 HydrophobicContact CG2-SD 3.55Å; T26-M47 VanDerWaalsContact CG2-SD 3.55Å; M39-M47 CarbonylContact C-O 3.49Å; M39-M47 WeakPolarHBondContact CA-O 3.24Å; I40-M47 PolarHBondContact N-O 2.85Å; I40-M47 PolarHBondContact O-N 2.77Å; F42-M47 HydrophobicContact CB-CB 4.09Å; F42-M47 HydrophobicContact CB-CG 4.15Å; F42-M47 HydrophobicContact CD1-CG 4.42Å; F45-M47 HydrophobicContact CB-CG 3.73Å; F45-M47 HydrophobicContact CB-SD 4Å; F45-M47 PolarHBondContact O-N 2.93Å; M47-L49 PolarHBondContact O-N 2.83Å; M47-D71 VanDerWaalsContact CE-O 3.25Å; M47-D71 WeakPolarHBondContact CE-O 3.26Å; M47-H74 VanDerWaalsContact CE-CE1 3.49Å; M47-H74 WeakPolarHBondContact CE-CE1 3.1Å; M47-H74 WeakPolarHBondContact CE-ND1 3.22Å; M47-H74 HydrophobicContact SD-CB 4.18Å; M47-L258 HydrophobicContact CB-CD1 3.53Å; M47-L258 HydrophobicContact CB-CG 4.31Å; M47-L258 HydrophobicContact CG-CD1 4.39Å
48	P	97.6	Very high	95.1	Very high	4 Å²	4	49.1 Å²	49.1	3%	0.026	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	117.4	179	30.5	-36.2	0	0	0	111.5	A37 M39 Y51 G257 L258	A37-P48 HydrophobicContact CB-CB 3.71Å; M39-P48 HydrophobicContact SD-CB 4.1Å; P48-Y51 HydrophobicContact CB-CE1 4.48Å; P48-Y51 HydrophobicContact CB-CE2 4.13Å; P48-Y51 WeakPolarHBondContact CG-OH 3.35Å; P48-G257 CarbonylContact O-C 3.5Å; P48-G257 VanDerWaalsContact O-CA 3.28Å; P48-G257 WeakPolarHBondContact O-CA 3.43Å; P48-L258 PolarHBondContact O-N 2.83Å
49	L	96.9	Very high	95.2	Very high	25 Å²	25	43.4 Å²	43.4	13%	0.131	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	-46.5	172	179.3	66.2	0	0	0	111.3	K38 I40 M47 G257 L258 A259	K38-L49 WeakPolarHBondContact O-CB 3.49Å; K38-L49 PolarHBondContact O-N 2.82Å; I40-L49 HydrophobicContact CD1-CB 4.18Å; I40-L49 HydrophobicContact CD1-CD1 3.86Å; I40-L49 HydrophobicContact CG1-CB 4.04Å; I40-L49 HydrophobicContact CG2-CB 3.84Å; I40-L49 HydrophobicContact CG2-CD2 4.09Å; I40-L49 HydrophobicContact CG2-CG 4.47Å; M47-L49 PolarHBondContact O-N 2.83Å; L49-G257 CarbonylContact O-C 3.01Å; L49-G257 WeakPolarHBondContact O-CA 3.39Å; L49-L258 PolarHBondContact O-N 3.5Å; L49-A259 HydrophobicContact CD1-CB 3.77Å; L49-A259 HydrophobicContact CG-CB 4.26Å; L49-A259 WeakPolarHBondContact O-CB 3.39Å; L49-A259 PolarHBondContact O-N 3.35Å; L49-A259 VanDerWaalsContact O-N 3.08Å
50	H	96.3	Very high	95.2	Very high	48 Å²	48	41.5 Å²	41.5	22%	0.222	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162	169.6	174.3	59	-88.4	0	0	0	109.1	K38	K38-H50 VanDerWaalsContact CD-CE1 3.47Å; K38-H50 WeakPolarHBondContact CD-CE1 3.38Å; K38-H50 PolarHBondContact N-O 3.35Å
51	Y	97.2	Very high	95.3	Very high	1 Å²	1	43.6 Å²	43.6	0%	0.004	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	149.5	177.9	-62.6	-95.6	0	0	0	110.2	H32 Q35 A37 P48 D53 Q54 P255	H32-Y51 PolarHBondContact CE1-OH 2.6Å; H32-Y51 AromaticContact ND1-CZ 3.81Å; H32-Y51 PolarHBondContact ND1-OH 3.38Å; Q35-Y51 HydrophobicContact CB-CD1 3.64Å; Q35-Y51 HydrophobicContact CB-CE1 3.66Å; Q35-Y51 WeakPolarHBondContact O-CD1 3.47Å; A37-Y51 HydrophobicContact CB-CD1 3.72Å; A37-Y51 HydrophobicContact CB-CE1 3.6Å; A37-Y51 HydrophobicContact CB-CG 4.46Å; P48-Y51 HydrophobicContact CB-CE1 4.48Å; P48-Y51 HydrophobicContact CB-CE2 4.13Å; P48-Y51 WeakPolarHBondContact CG-OH 3.35Å; Y51-D53 PolarHBondContact O-N 3.41Å; Y51-D53 VanDerWaalsContact O-N 3.14Å; Y51-Q54 PolarHBondContact O-N 3.06Å; Y51-Q54 VanDerWaalsContact O-N 3.08Å; Y51-P255 HydrophobicContact CD1-CB 4.36Å; Y51-P255 HydrophobicContact CD1-CG 4.04Å; Y51-P255 HydrophobicContact CD2-CB 4.28Å; Y51-P255 HydrophobicContact CD2-CG 4.32Å; Y51-P255 VanDerWaalsContact CD2-O 3.22Å; Y51-P255 WeakPolarHBondContact CD2-O 3.37Å; Y51-P255 HydrophobicContact CE1-CB 3.85Å; Y51-P255 HydrophobicContact CE1-CG 3.99Å; Y51-P255 VanDerWaalsContact CE2-C 3.46Å; Y51-P255 HydrophobicContact CE2-CB 3.79Å; Y51-P255 HydrophobicContact CE2-CG 4.3Å; Y51-P255 WeakPolarHBondContact CE2-O 3.48Å; Y51-P255 HydrophobicContact CG-CG 4.22Å
52	A	89.6	Confident	95.4	Very high	76 Å²	76	43.2 Å²	43.2	63%	0.628	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-28.4	-165.1	0	0	0	0	0	115.1	K36	K36-A52 HydrophobicContact CB-CB 3.85Å; K36-A52 WeakPolarHBondContact O-CB 3.31Å; K36-A52 PolarHBondContact O-N 3.06Å; K36-A52 VanDerWaalsContact O-N 3.17Å
53	D	90.4	Very high	95.7	Very high	121 Å²	121	40.2 Å²	40.2	65%	0.647	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.9	5.6	-178.2	67.6	-37.3	0	0	0	113.6	Y51	Y51-D53 PolarHBondContact O-N 3.41Å; Y51-D53 VanDerWaalsContact O-N 3.14Å
54	Q	93.2	Very high	96.2	Very high	11 Å²	11	39.3 Å²	39.3	5%	0.051	22%	0.215	C	C	.	.			trans	-130.9	126.7	-173.6	-62.8	174.4	68.4	0	0	111.5	Y51 S59 P255	Y51-Q54 PolarHBondContact O-N 3.06Å; Y51-Q54 VanDerWaalsContact O-N 3.08Å; Q54-S59 WeakPolarHBondContact CB-OG 3.44Å; Q54-S59 PolarHBondContact OE1-OG 3.07Å; Q54-P255 PolarHBondContact NE2-O 3.28Å
55	S	96	Very high	96.5	Very high	49 Å²	49	40.7 Å²	40.7	34%	0.343	22%	0.219	S	C	.	.			trans	-76	165	164.1	82.3	0	0	0	0	110.7	I57 D58 S59	S55-I57 PolarHBondContact O-N 2.84Å; S55-I57 PolarHBondContact OG-N 2.78Å; S55-D58 VanDerWaalsContact CB-OD2 3.23Å; S55-D58 WeakPolarHBondContact CB-OD2 3.23Å; S55-D58 PolarHBondContact N-OD2 3.37Å; S55-D58 PolarHBondContact O-N 3.16Å; S55-D58 PolarHBondContact OG-N 3.37Å; S55-D58 PolarHBondContact OG-OD2 2.89Å; S55-S59 VanDerWaalsContact O-CB 3.31Å; S55-S59 WeakPolarHBondContact O-CB 3.39Å; S55-S59 PolarHBondContact O-N 2.72Å; S55-S59 PolarHBondContact O-OG 3.14Å
56	I	95.8	Very high	96.7	Very high	59 Å²	59	42.3 Å²	42.3	30%	0.303	23%	0.227	S	C	.	.	H	α-helix	trans	-61.2	-39	175.3	-58.2	168.6	0	0	0	110.3	H60 A259 T263	I56-H60 VanDerWaalsContact O-CB 3.26Å; I56-H60 WeakPolarHBondContact O-CB 3.5Å; I56-H60 PolarHBondContact O-N 3.42Å; I56-A259 HydrophobicContact CB-CB 4.47Å; I56-A259 HydrophobicContact CD1-CB 3.64Å; I56-A259 HydrophobicContact CG1-CB 3.63Å; I56-A259 HydrophobicContact CG2-CB 4.05Å; I56-T263 HydrophobicContact CG2-CG2 4.09Å
57	I	97.3	Very high	96.6	Very high	76 Å²	76	41.6 Å²	41.6	39%	0.39	22%	0.222	S	C	.	.	H	α-helix	trans	-66.1	-48.8	179.1	-68.8	173	0	0	0	109.8	S55 S59 H60 Q61 P360	S55-I57 PolarHBondContact O-N 2.84Å; S55-I57 PolarHBondContact OG-N 2.78Å; I57-S59 PolarHBondContact O-N 3.41Å; I57-H60 WeakPolarHBondContact O-CB 3.36Å; I57-H60 PolarHBondContact O-N 2.94Å; I57-Q61 WeakPolarHBondContact O-CG 3.43Å; I57-Q61 PolarHBondContact O-N 3.02Å; I57-P360 HydrophobicContact CG1-CG 4.29Å; I57-P360 HydrophobicContact CG2-CB 4.26Å
58	D	97.2	Very high	96.7	Very high	87 Å²	87	41.6 Å²	41.6	47%	0.465	22%	0.222	S	C	.	.	H	α-helix	trans	-65.1	-42.6	-179.1	-53.4	-38.8	0	0	0	110.9	S55 H60 Q61 F62	S55-D58 VanDerWaalsContact CB-OD2 3.23Å; S55-D58 WeakPolarHBondContact CB-OD2 3.23Å; S55-D58 PolarHBondContact N-OD2 3.37Å; S55-D58 PolarHBondContact O-N 3.16Å; S55-D58 PolarHBondContact OG-N 3.37Å; S55-D58 PolarHBondContact OG-OD2 2.89Å; D58-H60 VanDerWaalsContact C-N 3.33Å; D58-H60 PolarHBondContact O-N 3.24Å; D58-Q61 PolarHBondContact O-N 3.06Å; D58-F62 VanDerWaalsContact O-CB 3.26Å; D58-F62 WeakPolarHBondContact O-CB 3.36Å; D58-F62 PolarHBondContact O-N 2.83Å
59	S	98.2	Very high	96.7	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.007	22%	0.222	C	C	.	.	H	α-helix	trans	-58.5	-46.9	175.7	-60.5	0	0	0	0	111.1	Q54 S55 I57 F62 V63	Q54-S59 WeakPolarHBondContact CB-OG 3.44Å; Q54-S59 PolarHBondContact OE1-OG 3.07Å; S55-S59 VanDerWaalsContact O-CB 3.31Å; S55-S59 WeakPolarHBondContact O-CB 3.39Å; S55-S59 PolarHBondContact O-N 2.72Å; S55-S59 PolarHBondContact O-OG 3.14Å; I57-S59 PolarHBondContact O-N 3.41Å; S59-F62 PolarHBondContact O-N 3.42Å; S59-V63 WeakPolarHBondContact O-CG2 3.37Å; S59-V63 PolarHBondContact O-N 2.91Å; S59-V63 VanDerWaalsContact O-N 3.15Å
60	H	98.5	Very high	96.8	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.3	-50.8	177.9	179	109.7	0	0	0	111.4	I56 I57 D58 F62 V63 R64 T263 E267 P360 T361	I56-H60 VanDerWaalsContact O-CB 3.26Å; I56-H60 WeakPolarHBondContact O-CB 3.5Å; I56-H60 PolarHBondContact O-N 3.42Å; I57-H60 WeakPolarHBondContact O-CB 3.36Å; I57-H60 PolarHBondContact O-N 2.94Å; D58-H60 VanDerWaalsContact C-N 3.33Å; D58-H60 PolarHBondContact O-N 3.24Å; H60-F62 VanDerWaalsContact C-N 3.29Å; H60-F62 PolarHBondContact O-N 3.35Å; H60-V63 PolarHBondContact O-N 2.87Å; H60-R64 PolarHBondContact O-N 3.22Å; H60-T263 WeakPolarHBondContact ND1-CB 3.49Å; H60-T263 PolarHBondContact ND1-OG1 2.73Å; H60-E267 IonicContact CE1-OE1 3.66Å; H60-E267 PolarHBondContact CE1-OE1 3.27Å; H60-E267 IonicContact CE1-OE2 3.29Å; H60-E267 PolarHBondContact CE1-OE2 2.92Å; H60-E267 IonicContact NE2-OE1 2.72Å; H60-E267 PolarHBondContact NE2-OE1 2.94Å; H60-E267 IonicContact NE2-OE2 3.97Å; H60-E267 PolarHBondContact NE2-OE2 3.47Å; H60-P360 HydrophobicContact CB-CB 4.24Å; H60-P360 HydrophobicContact CB-CG 3.87Å; H60-T361 PolarHBondContact NE2-OG1 3.33Å
61	Q	98.2	Very high	96.9	Very high	76 Å²	76	38.9 Å²	38.9	36%	0.355	21%	0.209	S	C	.	.	H	α-helix	trans	-63.2	-38.1	-179.4	-72.8	179.1	-16.8	0	0	111.5	I57 D58 V63 R64 Q65 P360	I57-Q61 WeakPolarHBondContact O-CG 3.43Å; I57-Q61 PolarHBondContact O-N 3.02Å; D58-Q61 PolarHBondContact O-N 3.06Å; Q61-V63 VanDerWaalsContact C-N 3.33Å; Q61-V63 PolarHBondContact O-N 2.88Å; Q61-R64 PolarHBondContact O-N 3.34Å; Q61-R64 VanDerWaalsContact O-N 3.14Å; Q61-Q65 WeakPolarHBondContact O-CB 3.35Å; Q61-Q65 WeakPolarHBondContact O-CG 3.37Å; Q61-Q65 PolarHBondContact O-N 3.42Å; Q61-Q65 VanDerWaalsContact O-N 3.07Å; Q61-P360 HydrophobicContact CG-CB 4.4Å
62	F	98.3	Very high	97	Very high	27 Å²	27	39 Å²	39	12%	0.118	21%	0.209	C	C	.	.	H	α-helix	trans	-59.3	-43.6	175.4	-166.1	-88.5	0	0	0	111.6	D58 S59 H60 R64 Q65 H66 C67 S252 K254	D58-F62 VanDerWaalsContact O-CB 3.26Å; D58-F62 WeakPolarHBondContact O-CB 3.36Å; D58-F62 PolarHBondContact O-N 2.83Å; S59-F62 PolarHBondContact O-N 3.42Å; H60-F62 VanDerWaalsContact C-N 3.29Å; H60-F62 PolarHBondContact O-N 3.35Å; F62-R64 VanDerWaalsContact C-N 3.32Å; F62-R64 PolarHBondContact O-N 3.45Å; F62-Q65 PolarHBondContact O-N 2.98Å; F62-H66 HydrophobicContact CD1-CB 4.08Å; F62-H66 AromaticContact CD2-CD2 3.78Å; F62-H66 HydrophobicContact CE1-CB 3.69Å; F62-H66 HydrophobicContact CE2-CB 4.27Å; F62-H66 AromaticContact CE2-CD2 3.54Å; F62-H66 HydrophobicContact CZ-CB 3.79Å; F62-H66 AromaticContact CZ-CD2 3.93Å; F62-H66 WeakPolarHBondContact O-CA 3.48Å; F62-H66 WeakPolarHBondContact O-CB 3.25Å; F62-H66 PolarHBondContact O-N 3.34Å; F62-C67 WeakPolarHBondContact CE1-O 3.28Å; F62-S252 WeakPolarHBondContact CE1-O 3.21Å; F62-K254 HydrophobicContact CD1-CB 3.9Å; F62-K254 HydrophobicContact CD1-CD 4.01Å; F62-K254 HydrophobicContact CD1-CG 4.05Å; F62-K254 HydrophobicContact CD2-CD 3.82Å; F62-K254 HydrophobicContact CE1-CB 3.7Å; F62-K254 HydrophobicContact CE1-CD 3.92Å; F62-K254 HydrophobicContact CE1-CG 3.59Å; F62-K254 HydrophobicContact CE2-CD 3.72Å; F62-K254 HydrophobicContact CE2-CG 4.11Å; F62-K254 HydrophobicContact CG-CD 3.96Å; F62-K254 HydrophobicContact CZ-CB 4.27Å; F62-K254 HydrophobicContact CZ-CD 3.78Å; F62-K254 HydrophobicContact CZ-CG 3.62Å
63	V	98.7	Very high	97.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-64.2	-37	176	177.2	0	0	0	0	112.4	S59 H60 Q61 Q65 F70 Q174 G175 P176 T226 I256 L264	S59-V63 WeakPolarHBondContact O-CG2 3.37Å; S59-V63 PolarHBondContact O-N 2.91Å; S59-V63 VanDerWaalsContact O-N 3.15Å; H60-V63 PolarHBondContact O-N 2.87Å; Q61-V63 VanDerWaalsContact C-N 3.33Å; Q61-V63 PolarHBondContact O-N 2.88Å; V63-Q65 VanDerWaalsContact C-N 3.26Å; V63-Q65 PolarHBondContact O-N 3.48Å; V63-F70 HydrophobicContact CG2-CE2 4.19Å; V63-F70 HydrophobicContact CG2-CZ 3.98Å; V63-Q174 HydrophobicContact CG1-CB 4.37Å; V63-G175 VanDerWaalsContact O-CA 3.3Å; V63-G175 WeakPolarHBondContact O-CA 3.21Å; V63-P176 WeakPolarHBondContact O-CD 3.47Å; V63-T226 HydrophobicContact CG1-CG2 4.47Å; V63-I256 HydrophobicContact CG2-CB 4.46Å; V63-I256 HydrophobicContact CG2-CD1 3.99Å; V63-I256 HydrophobicContact CG2-CG1 3.65Å; V63-I256 HydrophobicContact CG2-CG2 4.25Å; V63-L264 HydrophobicContact CB-CD1 3.84Å; V63-L264 HydrophobicContact CB-CD2 4.19Å; V63-L264 HydrophobicContact CG1-CD1 3.75Å; V63-L264 HydrophobicContact CG1-CD2 4.09Å; V63-L264 HydrophobicContact CG2-CD1 3.95Å
64	R	98.4	Very high	97.7	Very high	23 Å²	23	30.8 Å²	30.8	9%	0.087	16%	0.156	C	C	.	.	H	α-helix	trans	-68.8	-23.7	177.6	-67.7	-67.6	-170	-151	-8.9	113.3	H60 Q61 F62 T226 E228 L264 E267	H60-R64 PolarHBondContact O-N 3.22Å; Q61-R64 PolarHBondContact O-N 3.34Å; Q61-R64 VanDerWaalsContact O-N 3.14Å; F62-R64 VanDerWaalsContact C-N 3.32Å; F62-R64 PolarHBondContact O-N 3.45Å; R64-T226 PolarHBondContact NH1-O 3.27Å; R64-T226 PolarHBondContact NH2-O 3.06Å; R64-E228 WeakPolarHBondContact CD-OE1 3.25Å; R64-E228 IonicContact CZ-OE1 3.15Å; R64-E228 IonicContact NE-OE1 2.87Å; R64-E228 IonicContact NH1-OE1 2.71Å; R64-E228 PolarHBondContact NH1-OE1 2.63Å; R64-L264 HydrophobicContact CG-CD2 4.17Å; R64-E267 IonicContact CZ-OE2 2.81Å; R64-E267 IonicContact NE-OE2 2.77Å; R64-E267 PolarHBondContact NE-OE2 2.81Å; R64-E267 IonicContact NH2-OE2 2.76Å; R64-E267 PolarHBondContact NH2-OE2 3.37Å
65	Q	98.2	Very high	97.9	Very high	124 Å²	124	31.8 Å²	31.8	58%	0.579	16%	0.161	S	C	*	.	H	α-helix	trans	-107.8	-29.1	-173.9	-68.5	174.4	-4.9	0	0	114	Q61 F62 V63 P176	Q61-Q65 WeakPolarHBondContact O-CB 3.35Å; Q61-Q65 WeakPolarHBondContact O-CG 3.37Å; Q61-Q65 PolarHBondContact O-N 3.42Å; Q61-Q65 VanDerWaalsContact O-N 3.07Å; F62-Q65 PolarHBondContact O-N 2.98Å; V63-Q65 VanDerWaalsContact C-N 3.26Å; V63-Q65 PolarHBondContact O-N 3.48Å; Q65-P176 VanDerWaalsContact C-CG 3.48Å; Q65-P176 WeakPolarHBondContact O-CG 3.47Å
66	H	98.5	Very high	97.9	Very high	66 Å²	66	30 Å²	30	31%	0.306	15%	0.148	S	C	.	.	S	Bend	trans	-132.9	-124.4	-173.5	-63.8	-60.1	0	0	0	110.5	F62 G175 P176 D177 S252	F62-H66 HydrophobicContact CD1-CB 4.08Å; F62-H66 AromaticContact CD2-CD2 3.78Å; F62-H66 HydrophobicContact CE1-CB 3.69Å; F62-H66 HydrophobicContact CE2-CB 4.27Å; F62-H66 AromaticContact CE2-CD2 3.54Å; F62-H66 HydrophobicContact CZ-CB 3.79Å; F62-H66 AromaticContact CZ-CD2 3.93Å; F62-H66 WeakPolarHBondContact O-CA 3.48Å; F62-H66 WeakPolarHBondContact O-CB 3.25Å; F62-H66 PolarHBondContact O-N 3.34Å; H66-G175 CarbonylContact O-C 3.58Å; H66-G175 WeakPolarHBondContact O-CA 3.25Å; H66-P176 WeakPolarHBondContact O-CD 3.37Å; H66-P176 WeakPolarHBondContact O-CG 3.16Å; H66-P176 VanDerWaalsContact O-N 3.09Å; H66-D177 WeakPolarHBondContact CA-OD2 3.28Å; H66-D177 IonicContact CG-OD2 2.78Å; H66-D177 IonicContact ND1-OD2 2.91Å; H66-D177 PolarHBondContact ND1-OD2 2.91Å; H66-D177 VanDerWaalsContact ND1-OD2 3.11Å; H66-D177 PolarHBondContact O-N 3.38Å; H66-S252 WeakPolarHBondContact CB-O 3.43Å
67	C	96.8	Very high	98.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	141.4	165.9	64.3	0	0	0	0	113.7	F62 L173 Q174 D177 A178 S252 V253 K254	F62-C67 WeakPolarHBondContact CE1-O 3.28Å; C67-L173 HydrophobicContact CB-CD1 4.32Å; C67-Q174 CarbonylContact C-O 3.52Å; C67-Q174 WeakPolarHBondContact CA-O 3.32Å; C67-Q174 WeakPolarHBondContact CB-O 3.23Å; C67-D177 HydrophobicContact CB-CB 4.27Å; C67-A178 HydrophobicContact CB-CB 4.22Å; C67-S252 PolarHBondContact N-O 2.81Å; C67-S252 VanDerWaalsContact O-O 3.13Å; C67-S252 PolarHBondContact SG-O 3.4Å; C67-V253 WeakPolarHBondContact O-CA 3.43Å; C67-V253 WeakPolarHBondContact SG-CG2 3.26Å; C67-K254 PolarHBondContact O-N 3.47Å
68	G	98.6	Very high	98.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	136.9	173.5	0	0	0	0	0	112	L173 Q174 K254 I256	G68-L173 WeakPolarHBondContact O-CA 3.34Å; G68-Q174 PolarHBondContact N-O 3.46Å; G68-Q174 PolarHBondContact O-N 3.35Å; G68-K254 CarbonylContact C-O 3.59Å; G68-K254 WeakPolarHBondContact CA-O 3.46Å; G68-I256 VanDerWaalsContact CA-CG1 3.41Å
69	L	98.8	Very high	98.2	Very high	5 Å²	5	20.9 Å²	20.9	3%	0.026	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	119	167.9	-178.5	63.3	0	0	0	109.6	L171 A172 L173 A244 L247 V248 V253 K254 P255 I256	L69-L171 HydrophobicContact CD1-CB 4.03Å; L69-A172 CarbonylContact C-O 3.49Å; L69-A172 WeakPolarHBondContact CA-O 3.47Å; L69-L173 HydrophobicContact CB-CD1 4.43Å; L69-L173 HydrophobicContact CD1-CD1 4.46Å; L69-A244 HydrophobicContact CD2-CB 3.94Å; L69-L247 HydrophobicContact CD1-CD1 3.84Å; L69-L247 HydrophobicContact CD2-CB 4.19Å; L69-L247 HydrophobicContact CD2-CD1 4.28Å; L69-V248 HydrophobicContact CD2-CG1 3.81Å; L69-V253 HydrophobicContact CB-CG1 3.96Å; L69-K254 PolarHBondContact N-O 3.36Å; L69-P255 CarbonylContact O-C 3.3Å; L69-P255 WeakPolarHBondContact O-CA 3.48Å; L69-I256 PolarHBondContact O-N 3.07Å
70	F	98.8	Very high	98.2	Very high	4 Å²	4	20.9 Å²	20.9	2%	0.018	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	132.5	176.3	-57.5	-102.9	0	0	0	109.5	V63 V72 L171 A172 Q174 T226 I256 R261 L264	V63-F70 HydrophobicContact CG2-CE2 4.19Å; V63-F70 HydrophobicContact CG2-CZ 3.98Å; F70-V72 HydrophobicContact CB-CG1 4.33Å; F70-V72 PolarHBondContact O-N 2.8Å; F70-L171 WeakPolarHBondContact O-CA 3.49Å; F70-A172 HydrophobicContact CB-CB 4.22Å; F70-A172 WeakPolarHBondContact CD2-O 3.45Å; F70-A172 PolarHBondContact N-O 3.03Å; F70-A172 PolarHBondContact O-N 3.33Å; F70-Q174 HydrophobicContact CD2-CB 4.39Å; F70-Q174 HydrophobicContact CD2-CG 4.05Å; F70-Q174 HydrophobicContact CE2-CB 3.98Å; F70-Q174 HydrophobicContact CE2-CG 4.06Å; F70-T226 HydrophobicContact CE2-CG2 4.24Å; F70-T226 HydrophobicContact CZ-CG2 4.29Å; F70-I256 HydrophobicContact CD1-CB 3.93Å; F70-I256 HydrophobicContact CD1-CG2 4.03Å; F70-I256 WeakPolarHBondContact CD1-O 3.32Å; F70-I256 HydrophobicContact CD2-CB 4.44Å; F70-I256 HydrophobicContact CE1-CB 3.56Å; F70-I256 HydrophobicContact CE1-CG2 3.23Å; F70-I256 HydrophobicContact CE2-CB 4.07Å; F70-I256 HydrophobicContact CE2-CG1 4.38Å; F70-I256 HydrophobicContact CE2-CG2 4.34Å; F70-I256 HydrophobicContact CG-CB 4.38Å; F70-I256 HydrophobicContact CZ-CB 3.63Å; F70-I256 HydrophobicContact CZ-CG1 4.21Å; F70-I256 HydrophobicContact CZ-CG2 3.43Å; F70-I256 VanDerWaalsContact CZ-CG2 3.43Å; F70-R261 HydrophobicContact CD1-CB 4.03Å; F70-R261 HydrophobicContact CD1-CG 4.35Å; F70-R261 HydrophobicContact CE1-CB 3.73Å; F70-R261 HydrophobicContact CE1-CG 4.28Å; F70-L264 HydrophobicContact CE1-CD1 4.44Å; F70-L264 HydrophobicContact CZ-CD1 3.75Å
71	D	98.7	Very high	98.2	Very high	11 Å²	11	22.4 Å²	22.4	6%	0.059	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	113.3	163.8	174.3	19.2	0	0	0	109.6	T26 L28 H32 M47 S73	T26-D71 VanDerWaalsContact CB-OD2 3.28Å; T26-D71 WeakPolarHBondContact CB-OD2 3.34Å; T26-D71 WeakPolarHBondContact CG2-OD2 3.14Å; T26-D71 PolarHBondContact OG1-OD2 2.89Å; L28-D71 HydrophobicContact CD1-CB 4.47Å; H32-D71 IonicContact CD2-OD2 3.91Å; H32-D71 WeakPolarHBondContact CE1-CB 3.27Å; H32-D71 IonicContact CE1-OD2 2.79Å; H32-D71 VanDerWaalsContact NE2-CB 3.29Å; H32-D71 WeakPolarHBondContact NE2-CB 3.5Å; H32-D71 IonicContact NE2-OD2 2.84Å; H32-D71 PolarHBondContact NE2-OD2 2.88Å; M47-D71 VanDerWaalsContact CE-O 3.25Å; M47-D71 WeakPolarHBondContact CE-O 3.26Å; D71-S73 WeakPolarHBondContact OD1-CB 3.49Å; D71-S73 PolarHBondContact OD1-N 2.5Å; D71-S73 PolarHBondContact OD1-OG 2.8Å
72	V	98.2	Very high	98.2	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.012	10%	0.101	C	C	.	.			trans	-117.1	22.5	175.3	-66.4	0	0	0	0	111.9	F70 H74 M75 L170 A172	F70-V72 HydrophobicContact CB-CG1 4.33Å; F70-V72 PolarHBondContact O-N 2.8Å; V72-H74 PolarHBondContact O-N 3.06Å; V72-M75 HydrophobicContact CB-CG 4.11Å; V72-M75 VanDerWaalsContact O-CB 3.3Å; V72-M75 WeakPolarHBondContact O-CB 3.32Å; V72-M75 WeakPolarHBondContact O-CG 3.35Å; V72-M75 PolarHBondContact O-N 2.78Å; V72-L170 CarbonylContact C-O 3.59Å; V72-L170 VanDerWaalsContact C-O 3.3Å; V72-L170 WeakPolarHBondContact CA-O 3.4Å; V72-L170 HydrophobicContact CG2-CB 3.91Å; V72-L170 HydrophobicContact CG2-CD2 3.74Å; V72-L170 HydrophobicContact CG2-CG 3.6Å; V72-L170 WeakPolarHBondContact CG2-O 3.39Å; V72-L170 PolarHBondContact N-O 2.86Å; V72-A172 HydrophobicContact CG2-CB 4.16Å
73	S	98.4	Very high	98.1	Very high	16 Å²	16	24.9 Å²	24.9	11%	0.112	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-6.4	-178.7	-48.7	0	0	0	0	114.2	D71 M75 S169 L170	D71-S73 WeakPolarHBondContact OD1-CB 3.49Å; D71-S73 PolarHBondContact OD1-N 2.5Å; D71-S73 PolarHBondContact OD1-OG 2.8Å; S73-M75 VanDerWaalsContact C-N 3.28Å; S73-S169 WeakPolarHBondContact OG-CA 3.41Å; S73-S169 WeakPolarHBondContact OG-CB 3.31Å; S73-L170 PolarHBondContact N-O 2.97Å; S73-L170 VanDerWaalsContact N-O 3.13Å; S73-L170 PolarHBondContact OG-N 2.58Å; S73-L170 PolarHBondContact OG-O 2.79Å
74	H	96.3	Very high	98.1	Very high	9 Å²	9	26.6 Å²	26.6	4%	0.042	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-16.9	170.9	56.9	-72	0	0	0	112.5	T26 F42 F45 M47 V72 A137	T26-H74 HydrophobicContact CG2-CB 4.28Å; F42-H74 AromaticContact CE1-NE2 3.72Å; F45-H74 HydrophobicContact CB-CB 4.37Å; F45-H74 HydrophobicContact CD1-CB 3.98Å; F45-H74 HydrophobicContact CD2-CB 3.87Å; F45-H74 HydrophobicContact CE1-CB 4.17Å; F45-H74 HydrophobicContact CE2-CB 4.07Å; F45-H74 HydrophobicContact CG-CB 3.82Å; F45-H74 HydrophobicContact CZ-CB 4.21Å; M47-H74 VanDerWaalsContact CE-CE1 3.49Å; M47-H74 WeakPolarHBondContact CE-CE1 3.1Å; M47-H74 WeakPolarHBondContact CE-ND1 3.22Å; M47-H74 HydrophobicContact SD-CB 4.18Å; V72-H74 PolarHBondContact O-N 3.06Å; H74-A137 HydrophobicContact CB-CB 4.06Å; H74-A137 VanDerWaalsContact CD2-CB 3.41Å; H74-A137 WeakPolarHBondContact CD2-CB 3.29Å; H74-A137 WeakPolarHBondContact O-CB 3.39Å
75	M	97.4	Very high	98.1	Very high	33 Å²	33	28.6 Å²	28.6	16%	0.163	14%	0.141	C	C	.	.	S	Bend	trans	-69.7	145.9	177.9	-60.9	-71.5	-78	0	0	111.3	V72 S73 V134 S135 L170	V72-M75 HydrophobicContact CB-CG 4.11Å; V72-M75 VanDerWaalsContact O-CB 3.3Å; V72-M75 WeakPolarHBondContact O-CB 3.32Å; V72-M75 WeakPolarHBondContact O-CG 3.35Å; V72-M75 PolarHBondContact O-N 2.78Å; S73-M75 VanDerWaalsContact C-N 3.28Å; M75-V134 HydrophobicContact CB-CG1 4.02Å; M75-V134 HydrophobicContact CE-CG1 4.2Å; M75-S135 WeakPolarHBondContact CE-O 3.28Å; M75-L170 HydrophobicContact CB-CD2 4.31Å
76	L	97.7	Very high	98.1	Very high	11 Å²	11	24.2 Å²	24.2	6%	0.058	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	125.2	176.7	170.4	61.4	0	0	0	110	M78 V134 S135 S140 I143 I144 V165	L76-M78 HydrophobicContact CD1-CG 3.83Å; L76-M78 HydrophobicContact CD1-SD 4.35Å; L76-M78 HydrophobicContact CD2-CE 3.8Å; L76-M78 HydrophobicContact CD2-CG 4.25Å; L76-M78 HydrophobicContact CD2-SD 3.83Å; L76-M78 HydrophobicContact CG-CE 4.21Å; L76-M78 HydrophobicContact CG-CG 3.9Å; L76-M78 HydrophobicContact CG-SD 4.17Å; L76-V134 CarbonylContact O-C 3.59Å; L76-V134 VanDerWaalsContact O-CA 3.29Å; L76-V134 WeakPolarHBondContact O-CA 3.23Å; L76-S135 PolarHBondContact N-O 2.8Å; L76-S135 PolarHBondContact O-N 3.45Å; L76-S140 WeakPolarHBondContact CB-OG 3.43Å; L76-I143 HydrophobicContact CD2-CB 4.16Å; L76-I143 HydrophobicContact CD2-CG2 3.84Å; L76-I144 HydrophobicContact CD1-CD1 3.93Å; L76-I144 HydrophobicContact CD1-CG1 4.07Å; L76-I144 HydrophobicContact CD2-CD1 4.27Å; L76-I144 HydrophobicContact CD2-CG1 3.77Å; L76-V165 HydrophobicContact CD1-CG1 3.76Å; L76-V165 HydrophobicContact CD1-CG2 4.38Å
77	Q	98.4	Very high	98	Very high	4 Å²	4	23.6 Å²	23.6	2%	0.019	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	128.8	173.5	-62.2	-179.9	73.1	0	0	110	Y132 I133 V134 L166 H168 S234	Q77-Y132 HydrophobicContact CB-CE2 4.17Å; Q77-Y132 HydrophobicContact CG-CE2 4.48Å; Q77-Y132 PolarHBondContact OE1-OH 3.16Å; Q77-I133 WeakPolarHBondContact CA-O 3.44Å; Q77-V134 HydrophobicContact CG-CG2 4.47Å; Q77-L166 HydrophobicContact CB-CB 4.03Å; Q77-L166 HydrophobicContact CB-CD1 4.33Å; Q77-L166 HydrophobicContact CB-CG 4.47Å; Q77-L166 PolarHBondContact O-N 2.85Å; Q77-H168 PolarHBondContact NE2-O 3.49Å; Q77-S234 VanDerWaalsContact OE1-CB 3.29Å; Q77-S234 PolarHBondContact OE1-OG 3.1Å
78	M	98.3	Very high	98	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	149	179.6	-61.3	179.8	-69.8	0	0	111.7	L76 Y132 I133 I143 I163 K164 V165	L76-M78 HydrophobicContact CD1-CG 3.83Å; L76-M78 HydrophobicContact CD1-SD 4.35Å; L76-M78 HydrophobicContact CD2-CE 3.8Å; L76-M78 HydrophobicContact CD2-CG 4.25Å; L76-M78 HydrophobicContact CD2-SD 3.83Å; L76-M78 HydrophobicContact CG-CE 4.21Å; L76-M78 HydrophobicContact CG-CG 3.9Å; L76-M78 HydrophobicContact CG-SD 4.17Å; M78-Y132 WeakPolarHBondContact O-CA 3.5Å; M78-I133 HydrophobicContact CB-CB 4.38Å; M78-I133 HydrophobicContact CE-CB 4.36Å; M78-I133 HydrophobicContact CE-CG2 4.06Å; M78-I133 PolarHBondContact N-O 3.25Å; M78-I133 PolarHBondContact O-N 3.32Å; M78-I143 HydrophobicContact CE-CG2 3.63Å; M78-I163 HydrophobicContact SD-CG2 4.28Å; M78-K164 CarbonylContact C-O 3.49Å; M78-K164 VanDerWaalsContact CA-O 3.3Å; M78-K164 WeakPolarHBondContact CA-O 3.23Å; M78-V165 HydrophobicContact CG-CG2 4.21Å
79	Q	98	Very high	98	Very high	26 Å²	26	23.7 Å²	23.7	12%	0.121	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	134.3	163.5	-70.5	174.6	-16.5	0	0	109.2	Y130 L131 I163 K164 L166	Q79-Y130 HydrophobicContact CB-CD2 4.26Å; Q79-Y130 HydrophobicContact CB-CG 4.23Å; Q79-Y130 HydrophobicContact CG-CD2 3.8Å; Q79-Y130 HydrophobicContact CG-CE2 3.96Å; Q79-Y130 HydrophobicContact CG-CG 4.09Å; Q79-Y130 PolarHBondContact NE2-OH 3.1Å; Q79-L131 CarbonylContact C-O 3.56Å; Q79-L131 VanDerWaalsContact CA-O 3.29Å; Q79-L131 WeakPolarHBondContact CA-O 3.24Å; Q79-I163 WeakPolarHBondContact O-CA 3.32Å; Q79-K164 HydrophobicContact CB-CB 4.37Å; Q79-K164 PolarHBondContact N-O 2.9Å; Q79-K164 PolarHBondContact O-N 3.39Å; Q79-L166 HydrophobicContact CG-CD1 4.12Å; Q79-L166 HydrophobicContact CG-CD2 4.03Å; Q79-L166 HydrophobicContact CG-CG 4.27Å
80	V	98.5	Very high	98	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	112.3	173	-174.9	0	0	0	0	108.7	R85 F88 L89 Y130 L131 I133 I161 N162 I163	V80-R85 HydrophobicContact CG1-CB 3.93Å; V80-R85 WeakPolarHBondContact O-CD 3.04Å; V80-F88 HydrophobicContact CG1-CD1 3.81Å; V80-F88 HydrophobicContact CG1-CE1 4.14Å; V80-L89 HydrophobicContact CG2-CD2 4.29Å; V80-Y130 CarbonylContact O-C 3.57Å; V80-Y130 VanDerWaalsContact O-CA 3.24Å; V80-Y130 WeakPolarHBondContact O-CA 3.26Å; V80-L131 HydrophobicContact CB-CB 4.42Å; V80-L131 PolarHBondContact N-O 3.32Å; V80-L131 PolarHBondContact O-N 3.26Å; V80-I133 HydrophobicContact CG2-CD1 3.48Å; V80-I133 VanDerWaalsContact CG2-CD1 3.48Å; V80-I133 HydrophobicContact CG2-CG1 4.39Å; V80-I161 HydrophobicContact CG1-CG2 4.13Å; V80-N162 CarbonylContact C-O 3.36Å; V80-N162 WeakPolarHBondContact CA-O 3.42Å; V80-I163 HydrophobicContact CG1-CG1 4.49Å; V80-I163 HydrophobicContact CG2-CG1 4.25Å
81	S	98.4	Very high	97.9	Very high	33 Å²	33	26.6 Å²	26.6	23%	0.231	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	176.6	-176.4	64.3	0	0	0	0	111.7	I161 N162	S81-I161 WeakPolarHBondContact O-CA 3.45Å; S81-N162 PolarHBondContact N-O 3.41Å; S81-N162 PolarHBondContact O-N 3.31Å; S81-N162 PolarHBondContact OG-ND2 2.74Å
82	G	98.1	Very high	97.8	Very high	16 Å²	16	26.2 Å²	26.2	17%	0.165	14%	0.143	C	C	.	.	S	Bend	trans	99.1	159.9	-174.9	0	0	0	0	0	112.4	D84 R85 E160	G82-D84 PolarHBondContact O-N 3.02Å; G82-R85 WeakPolarHBondContact O-CB 3.39Å; G82-R85 WeakPolarHBondContact O-CD 3.43Å; G82-R85 VanDerWaalsContact O-CG 3.23Å; G82-R85 WeakPolarHBondContact O-CG 3.47Å; G82-R85 PolarHBondContact O-N 2.82Å; G82-R85 PolarHBondContact O-NH1 2.99Å; G82-E160 CarbonylContact C-O 3.46Å; G82-E160 VanDerWaalsContact CA-O 3.29Å; G82-E160 WeakPolarHBondContact CA-O 3.31Å
83	K	97.7	Very high	97.8	Very high	138 Å²	138	26.1 Å²	26.1	60%	0.6	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64	-28.3	-174.9	80.2	-162.8	171.1	-158.5	0	112.8	E160	K83-E160 HydrophobicContact CD-CB 4.22Å; K83-E160 WeakPolarHBondContact CD-OE2 3.31Å; K83-E160 HydrophobicContact CG-CB 4.09Å; K83-E160 PolarHBondContact N-O 3.33Å; K83-E160 IonicContact NZ-OE2 3.45Å; K83-E160 PolarHBondContact NZ-OE2 3.42Å
84	D	98.2	Very high	97.7	Very high	37 Å²	37	25.4 Å²	25.4	20%	0.198	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	6.1	-177.3	-64.6	-70	0	0	0	113.3	G82 V86 S87 F88 K159 E160 I161	G82-D84 PolarHBondContact O-N 3.02Å; D84-V86 VanDerWaalsContact C-N 3.26Å; D84-V86 PolarHBondContact O-N 2.93Å; D84-V86 VanDerWaalsContact O-N 3.16Å; D84-S87 PolarHBondContact O-N 2.85Å; D84-S87 PolarHBondContact O-OG 3.09Å; D84-S87 VanDerWaalsContact O-OG 3.05Å; D84-F88 WeakPolarHBondContact O-CB 3.44Å; D84-F88 PolarHBondContact O-N 3.08Å; D84-K159 HydrophobicContact CB-CB 4Å; D84-K159 HydrophobicContact CB-CG 4.49Å; D84-K159 WeakPolarHBondContact OD2-CA 3.49Å; D84-E160 PolarHBondContact N-O 3.15Å; D84-E160 PolarHBondContact OD2-N 2.9Å; D84-I161 HydrophobicContact CB-CD1 4.44Å; D84-I161 HydrophobicContact CB-CG1 3.88Å
85	R	98.2	Very high	97.8	Very high	65 Å²	65	25 Å²	25	25%	0.245	14%	0.136	C	C	.	.	H	α-helix	trans	-53.7	-37.7	-176.5	67.1	-170.4	177.7	-79.2	3.6	114.5	V80 G82 L89 L131	V80-R85 HydrophobicContact CG1-CB 3.93Å; V80-R85 WeakPolarHBondContact O-CD 3.04Å; G82-R85 WeakPolarHBondContact O-CB 3.39Å; G82-R85 WeakPolarHBondContact O-CD 3.43Å; G82-R85 VanDerWaalsContact O-CG 3.23Å; G82-R85 WeakPolarHBondContact O-CG 3.47Å; G82-R85 PolarHBondContact O-N 2.82Å; G82-R85 PolarHBondContact O-NH1 2.99Å; R85-L89 PolarHBondContact O-N 3.25Å; R85-L89 VanDerWaalsContact O-N 3.08Å; R85-L131 HydrophobicContact CB-CD1 4.28Å; R85-L131 HydrophobicContact CB-CG 4.49Å; R85-L131 HydrophobicContact CG-CD1 4.19Å; R85-L131 HydrophobicContact CG-CG 4.12Å; R85-L131 WeakPolarHBondContact O-CD1 3.22Å
86	V	97.8	Very high	97.8	Very high	31 Å²	31	24.8 Å²	24.8	19%	0.188	14%	0.135	C	C	.	.	H	α-helix	trans	-70.4	-55.1	-179.4	172.9	0	0	0	0	110.3	D84 F88 L89 E90 I97 E98	D84-V86 VanDerWaalsContact C-N 3.26Å; D84-V86 PolarHBondContact O-N 2.93Å; D84-V86 VanDerWaalsContact O-N 3.16Å; V86-F88 PolarHBondContact O-N 3.14Å; V86-L89 PolarHBondContact O-N 3.33Å; V86-E90 WeakPolarHBondContact O-CG 3.49Å; V86-E90 PolarHBondContact O-N 3.38Å; V86-I97 HydrophobicContact CB-CG2 4.48Å; V86-I97 HydrophobicContact CG1-CB 4.1Å; V86-I97 HydrophobicContact CG1-CG2 4.09Å; V86-I97 HydrophobicContact CG2-CG2 4.31Å; V86-E98 HydrophobicContact CG1-CB 3.99Å
87	S	96.9	Very high	97.8	Very high	54 Å²	54	24.3 Å²	24.3	38%	0.378	13%	0.132	S	C	.	.	H	α-helix	trans	-63.3	-31.9	179.6	66.2	0	0	0	0	111.7	D84 S91	D84-S87 PolarHBondContact O-N 2.85Å; D84-S87 PolarHBondContact O-OG 3.09Å; D84-S87 VanDerWaalsContact O-OG 3.05Å; S87-S91 PolarHBondContact O-N 3.45Å; S87-S91 VanDerWaalsContact O-N 3.08Å
88	F	97.9	Very high	97.7	Very high	2 Å²	2	29 Å²	29	1%	0.009	16%	0.155	C	C	.	.	H	α-helix	trans	-61.3	-55.7	171.4	174.8	-112.6	0	0	0	111.9	V80 D84 V86 E90 S91 L92 V147 M150 M151 I161 I163	V80-F88 HydrophobicContact CG1-CD1 3.81Å; V80-F88 HydrophobicContact CG1-CE1 4.14Å; D84-F88 WeakPolarHBondContact O-CB 3.44Å; D84-F88 PolarHBondContact O-N 3.08Å; V86-F88 PolarHBondContact O-N 3.14Å; F88-E90 VanDerWaalsContact C-N 3.28Å; F88-E90 PolarHBondContact O-N 2.79Å; F88-S91 WeakPolarHBondContact O-CB 3.38Å; F88-S91 PolarHBondContact O-N 2.86Å; F88-S91 PolarHBondContact O-OG 3.17Å; F88-L92 HydrophobicContact CE1-CD1 4Å; F88-L92 HydrophobicContact CE2-CD1 4.07Å; F88-L92 HydrophobicContact CZ-CD1 3.7Å; F88-V147 HydrophobicContact CE1-CG1 3.69Å; F88-V147 HydrophobicContact CZ-CG1 3.69Å; F88-M150 HydrophobicContact CE2-CB 3.79Å; F88-M150 HydrophobicContact CZ-CB 4.25Å; F88-M151 HydrophobicContact CE2-CB 4.34Å; F88-M151 HydrophobicContact CZ-CB 4.04Å; F88-I161 HydrophobicContact CB-CD1 3.73Å; F88-I161 HydrophobicContact CB-CG1 4.04Å; F88-I161 HydrophobicContact CB-CG2 4.45Å; F88-I161 HydrophobicContact CD1-CG2 3.75Å; F88-I161 HydrophobicContact CD2-CD1 3.57Å; F88-I161 HydrophobicContact CD2-CG2 4.44Å; F88-I161 HydrophobicContact CE1-CG2 4.02Å; F88-I161 HydrophobicContact CE2-CD1 4.33Å; F88-I161 HydrophobicContact CG-CD1 3.72Å; F88-I161 HydrophobicContact CG-CG1 4.22Å; F88-I161 HydrophobicContact CG-CG2 3.95Å; F88-I161 HydrophobicContact CZ-CG2 4.47Å; F88-I163 HydrophobicContact CE1-CD1 4.17Å; F88-I163 HydrophobicContact CZ-CD1 4.23Å
89	L	97.9	Very high	97.6	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-65.8	-31	178.7	-71.5	-159.6	0	0	0	113.5	V80 R85 V86 S91 L92 T93 I97 I123 L131 I133	V80-L89 HydrophobicContact CG2-CD2 4.29Å; R85-L89 PolarHBondContact O-N 3.25Å; R85-L89 VanDerWaalsContact O-N 3.08Å; V86-L89 PolarHBondContact O-N 3.33Å; L89-S91 PolarHBondContact O-N 2.86Å; L89-L92 HydrophobicContact CD2-CD1 4.38Å; L89-L92 PolarHBondContact O-N 3Å; L89-L92 VanDerWaalsContact O-N 3.08Å; L89-T93 PolarHBondContact O-N 2.87Å; L89-T93 VanDerWaalsContact O-N 3.08Å; L89-T93 PolarHBondContact O-OG1 2.93Å; L89-I97 HydrophobicContact CB-CG1 4.29Å; L89-I123 HydrophobicContact CD1-CD1 4.12Å; L89-I123 HydrophobicContact CD1-CG1 4.46Å; L89-I123 HydrophobicContact CD1-CG2 3.72Å; L89-L131 HydrophobicContact CB-CD1 4.28Å; L89-L131 HydrophobicContact CD1-CB 4.21Å; L89-L131 HydrophobicContact CD1-CD1 3.46Å; L89-L131 VanDerWaalsContact CD1-CD1 3.46Å; L89-L131 HydrophobicContact CD1-CG 4.47Å; L89-L131 HydrophobicContact CG-CD1 3.79Å; L89-I133 HydrophobicContact CD1-CD1 3.45Å; L89-I133 VanDerWaalsContact CD1-CD1 3.45Å; L89-I133 HydrophobicContact CD1-CG1 4.01Å; L89-I133 HydrophobicContact CD2-CD1 3.79Å; L89-I133 HydrophobicContact CG-CD1 4.24Å
90	E	97.5	Very high	97.5	Very high	20 Å²	20	34.7 Å²	34.7	9%	0.093	18%	0.182	C	C	.	.	H	α-helix	trans	-65.1	-25.4	172.4	-73.2	-158.6	162.2	0	0	112.6	V86 F88 L92 I97 E98 R295 R296	V86-E90 WeakPolarHBondContact O-CG 3.49Å; V86-E90 PolarHBondContact O-N 3.38Å; F88-E90 VanDerWaalsContact C-N 3.28Å; F88-E90 PolarHBondContact O-N 2.79Å; E90-L92 VanDerWaalsContact C-N 3.25Å; E90-L92 PolarHBondContact O-N 3.17Å; E90-I97 HydrophobicContact CG-CB 3.94Å; E90-I97 HydrophobicContact CG-CG1 3.95Å; E90-I97 PolarHBondContact OE1-N 2.76Å; E90-E98 PolarHBondContact OE1-N 3.41Å; E90-E98 VanDerWaalsContact OE1-N 3.09Å; E90-R295 IonicContact OE1-NH2 3.62Å; E90-R295 PolarHBondContact OE1-NH2 3.3Å; E90-R295 IonicContact OE2-NH2 2.7Å; E90-R295 PolarHBondContact OE2-NH2 2.67Å; E90-R295 VanDerWaalsContact OE2-NH2 3.15Å; E90-R296 PolarHBondContact O-NH1 3.25Å; E90-R296 PolarHBondContact O-NH2 2.94Å; E90-R296 IonicContact OE2-NE 2.82Å
91	S	96.7	Very high	97.4	Very high	49 Å²	49	38.4 Å²	38.4	34%	0.343	21%	0.205	S	C	.	.	H	α-helix	trans	-73.6	-15.5	172.8	76.5	0	0	0	0	114	S87 F88 L89 P305	S87-S91 PolarHBondContact O-N 3.45Å; S87-S91 VanDerWaalsContact O-N 3.08Å; F88-S91 WeakPolarHBondContact O-CB 3.38Å; F88-S91 PolarHBondContact O-N 2.86Å; F88-S91 PolarHBondContact O-OG 3.17Å; L89-S91 PolarHBondContact O-N 2.86Å; S91-P305 VanDerWaalsContact O-CD 3.27Å; S91-P305 WeakPolarHBondContact O-CD 3.35Å; S91-P305 WeakPolarHBondContact O-CG 3.24Å
92	L	97.9	Very high	97.4	Very high	4 Å²	4	42 Å²	42	2%	0.021	22%	0.221	C	C	.	.	H	α-helix	trans	-108.5	-13.7	-177.8	-51.8	-177.6	0	0	0	113.2	F88 L89 E90 F110 L111 V147 M150	F88-L92 HydrophobicContact CE1-CD1 4Å; F88-L92 HydrophobicContact CE2-CD1 4.07Å; F88-L92 HydrophobicContact CZ-CD1 3.7Å; L89-L92 HydrophobicContact CD2-CD1 4.38Å; L89-L92 PolarHBondContact O-N 3Å; L89-L92 VanDerWaalsContact O-N 3.08Å; E90-L92 VanDerWaalsContact C-N 3.25Å; E90-L92 PolarHBondContact O-N 3.17Å; L92-F110 HydrophobicContact CB-CD1 3.76Å; L92-F110 HydrophobicContact CB-CE1 3.87Å; L92-F110 HydrophobicContact CD1-CD1 4.46Å; L92-F110 HydrophobicContact CD1-CE1 3.97Å; L92-L111 PolarHBondContact O-N 2.98Å; L92-V147 HydrophobicContact CD1-CG1 4.11Å; L92-V147 HydrophobicContact CD1-CG2 4.2Å; L92-M150 HydrophobicContact CD1-CB 4.5Å; L92-M150 HydrophobicContact CD2-CB 3.78Å; L92-M150 HydrophobicContact CD2-CG 3.54Å; L92-M150 HydrophobicContact CD2-SD 4.46Å
93	T	98.1	Very high	97.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-138.5	162.5	-170.9	72.9	0	0	0	0	112.3	L89 S108 V109 F110 I123 R296 F304	L89-T93 PolarHBondContact O-N 2.87Å; L89-T93 VanDerWaalsContact O-N 3.08Å; L89-T93 PolarHBondContact O-OG1 2.93Å; T93-S108 WeakPolarHBondContact CB-OG 3.49Å; T93-V109 WeakPolarHBondContact CA-O 3.48Å; T93-V109 VanDerWaalsContact CB-O 3.3Å; T93-V109 WeakPolarHBondContact CB-O 3.33Å; T93-V109 WeakPolarHBondContact CG2-O 3.36Å; T93-F110 HydrophobicContact CG2-CD1 3.87Å; T93-F110 HydrophobicContact CG2-CE1 4.02Å; T93-F110 HydrophobicContact CG2-CG 4.49Å; T93-I123 HydrophobicContact CG2-CD1 3.99Å; T93-R296 PolarHBondContact O-NH1 3.3Å; T93-F304 WeakPolarHBondContact O-CB 3.42Å
94	C	97	Very high	97.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	-90.1	1.1	173.3	64.2	0	0	0	0	114.3	L111 L291 I292 S293 F304	C94-L111 HydrophobicContact CB-CD1 3.73Å; C94-L291 PolarHBondContact SG-O 3.42Å; C94-I292 HydrophobicContact CB-CB 4.45Å; C94-I292 HydrophobicContact CB-CG1 4.26Å; C94-I292 HydrophobicContact CB-CG2 4.27Å; C94-S293 PolarHBondContact O-N 3.41Å; C94-F304 HydrophobicContact CB-CD2 3.91Å; C94-F304 HydrophobicContact CB-CE2 4.18Å; C94-F304 HydrophobicContact CB-CG 4.27Å
95	A	97.1	Very high	97.3	Very high	2 Å²	2	35.2 Å²	35.2	2%	0.017	19%	0.193	C	C	.	.	S	Bend	trans	-74.2	159.9	-179.2	0	0	0	0	0	112.2	I97 T106 S108 R296	A95-I97 HydrophobicContact CB-CD1 3.66Å; A95-I97 HydrophobicContact CB-CG1 4.4Å; A95-T106 HydrophobicContact CB-CG2 4.04Å; A95-S108 VanDerWaalsContact CB-OG 3.24Å; A95-S108 WeakPolarHBondContact CB-OG 3.24Å; A95-R296 PolarHBondContact O-NH1 2.96Å
96	D	96.8	Very high	97.3	Very high	28 Å²	28	33.9 Å²	33.9	15%	0.15	19%	0.192	C	C	.	.			trans	-98	87.2	173.8	-152	-31.1	0	0	0	109.5	E99 L100 S293 R295 R296	D96-E99 HydrophobicContact CB-CB 4.49Å; D96-E99 WeakPolarHBondContact OD1-CB 3.4Å; D96-E99 WeakPolarHBondContact OD1-CG 3.45Å; D96-E99 PolarHBondContact OD1-N 3.22Å; D96-L100 PolarHBondContact O-N 3.43Å; D96-S293 PolarHBondContact OD2-OG 2.86Å; D96-R295 IonicContact OD1-CZ 3.96Å; D96-R295 IonicContact OD1-NE 3.81Å; D96-R295 PolarHBondContact OD1-NE 3.12Å; D96-R295 IonicContact OD1-NH2 2.74Å; D96-R295 PolarHBondContact OD1-NH2 3.11Å; D96-R295 WeakPolarHBondContact OD2-CB 3.22Å; D96-R295 WeakPolarHBondContact OD2-CD 3.27Å; D96-R295 IonicContact OD2-CZ 3.62Å; D96-R295 IonicContact OD2-NE 3.52Å; D96-R295 PolarHBondContact OD2-NE 2.88Å; D96-R295 IonicContact OD2-NH2 2.69Å; D96-R296 HydrophobicContact CB-CG 4.49Å
97	I	97.5	Very high	97.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	-81.7	-29	-177	-50.8	-53.5	0	0	0	109.9	V86 L89 E90 A95 T106 I123 K125 L131	V86-I97 HydrophobicContact CB-CG2 4.48Å; V86-I97 HydrophobicContact CG1-CB 4.1Å; V86-I97 HydrophobicContact CG1-CG2 4.09Å; V86-I97 HydrophobicContact CG2-CG2 4.31Å; L89-I97 HydrophobicContact CB-CG1 4.29Å; E90-I97 HydrophobicContact CG-CB 3.94Å; E90-I97 HydrophobicContact CG-CG1 3.95Å; E90-I97 PolarHBondContact OE1-N 2.76Å; A95-I97 HydrophobicContact CB-CD1 3.66Å; A95-I97 HydrophobicContact CB-CG1 4.4Å; I97-T106 HydrophobicContact CD1-CG2 4.38Å; I97-I123 HydrophobicContact CD1-CB 4.26Å; I97-I123 HydrophobicContact CD1-CD1 4.05Å; I97-I123 HydrophobicContact CD1-CG2 3.86Å; I97-K125 PolarHBondContact O-NZ 2.77Å; I97-L131 HydrophobicContact CG2-CD1 3.74Å; I97-L131 HydrophobicContact CG2-CD2 3.99Å
98	E	96.5	Very high	97.4	Very high	104 Å²	104	31.8 Å²	31.8	49%	0.486	18%	0.176	S	C	.	.	S	Bend	trans	-60.8	-51.8	175.1	-173.1	169.4	-152.1	0	0	111.4	V86 E90 L100 K125 R295	V86-E98 HydrophobicContact CG1-CB 3.99Å; E90-E98 PolarHBondContact OE1-N 3.41Å; E90-E98 VanDerWaalsContact OE1-N 3.09Å; E98-L100 VanDerWaalsContact C-N 3.32Å; E98-L100 PolarHBondContact O-N 3.17Å; E98-K125 PolarHBondContact O-NZ 2.83Å; E98-R295 IonicContact OE2-CZ 3.81Å; E98-R295 IonicContact OE2-NH1 3.73Å; E98-R295 PolarHBondContact OE2-NH1 2.96Å; E98-R295 IonicContact OE2-NH2 3.58Å; E98-R295 PolarHBondContact OE2-NH2 3.27Å
99	E	96.3	Very high	97.4	Very high	127 Å²	127	31.7 Å²	31.7	59%	0.593	18%	0.175	S	C	*	.	S	Bend	trans	-83.3	-4.3	-178.4	-64.6	-62.1	152.1	0	0	114.2	D96 P101	D96-E99 HydrophobicContact CB-CB 4.49Å; D96-E99 WeakPolarHBondContact OD1-CB 3.4Å; D96-E99 WeakPolarHBondContact OD1-CG 3.45Å; D96-E99 PolarHBondContact OD1-N 3.22Å; E99-P101 WeakPolarHBondContact O-CD 3.44Å
100	L	96.7	Very high	97.5	Very high	19 Å²	19	31.7 Å²	31.7	10%	0.099	18%	0.175	C	C	.	.	S	Bend	trans	-61.1	129.3	175.4	-169.6	61.9	0	0	0	109.1	D96 E98 S104 T106 K125	D96-L100 PolarHBondContact O-N 3.43Å; E98-L100 VanDerWaalsContact C-N 3.32Å; E98-L100 PolarHBondContact O-N 3.17Å; L100-S104 WeakPolarHBondContact CD2-O 3.38Å; L100-T106 HydrophobicContact CD2-CG2 4.41Å; L100-K125 HydrophobicContact CB-CB 4.33Å; L100-K125 HydrophobicContact CB-CD 4.21Å; L100-K125 HydrophobicContact CD2-CB 3.78Å; L100-K125 HydrophobicContact CG-CB 4.06Å; L100-K125 WeakPolarHBondContact O-CD 3.44Å; L100-K125 PolarHBondContact O-NZ 2.74Å
101	P	96.9	Very high	97.5	Very high	77 Å²	77	30.9 Å²	30.9	50%	0.5	17%	0.171	S	C	.	.	P	Polyproline II helix	trans	-63.6	149.7	176.8	-22.4	33.2	0	0	0	111.4	E99 S103 S104	E99-P101 WeakPolarHBondContact O-CD 3.44Å; P101-S103 PolarHBondContact O-N 2.9Å; P101-S104 WeakPolarHBondContact O-CB 3.31Å; P101-S104 PolarHBondContact O-N 3.23Å
102	I	97.6	Very high	97.6	Very high	110 Å²	110	30.7 Å²	30.7	56%	0.564	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	140.7	173.1	-63.1	174	0	0	0	108.9	S104 K125 K127	I102-S104 PolarHBondContact O-N 3.46Å; I102-K125 CarbonylContact C-O 3.52Å; I102-K127 HydrophobicContact CG2-CB 4.22Å; I102-K127 HydrophobicContact CG2-CG 3.54Å
103	S	97.2	Very high	97.5	Very high	20 Å²	20	37.2 Å²	37.2	14%	0.14	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.8	2.9	-172.7	-39.4	0	0	0	0	115	P101 K125 K127 E201 S202	P101-S103 PolarHBondContact O-N 2.9Å; S103-K125 WeakPolarHBondContact CA-O 3.02Å; S103-K125 PolarHBondContact N-O 3.01Å; S103-K127 WeakPolarHBondContact OG-CE 3.01Å; S103-K127 VanDerWaalsContact OG-CG 3.31Å; S103-K127 WeakPolarHBondContact OG-CG 3.3Å; S103-E201 CarbonylContact O-C 3.52Å; S103-E201 VanDerWaalsContact O-CA 3.22Å; S103-E201 WeakPolarHBondContact O-CA 3.34Å; S103-S202 WeakPolarHBondContact CB-O 3.47Å; S103-S202 PolarHBondContact O-N 3.35Å
104	S	97.8	Very high	97.5	Very high	18 Å²	18	40.3 Å²	40.3	13%	0.126	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	160.6	177.2	-60.2	0	0	0	0	111.7	L100 P101 I102 K125 M200	L100-S104 WeakPolarHBondContact CD2-O 3.38Å; P101-S104 WeakPolarHBondContact O-CB 3.31Å; P101-S104 PolarHBondContact O-N 3.23Å; I102-S104 PolarHBondContact O-N 3.46Å; S104-K125 PolarHBondContact O-N 2.83Å; S104-M200 CarbonylContact C-O 3.17Å; S104-M200 WeakPolarHBondContact CA-O 3.44Å
105	G	97.7	Very high	97.5	Very high	10 Å²	10	40.3 Å²	40.3	10%	0.103	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	174.2	173.7	0	0	0	0	0	114.4	I123 M124 M200	G105-I123 CarbonylContact C-O 3.56Å; G105-I123 WeakPolarHBondContact CA-O 3.36Å; G105-M124 WeakPolarHBondContact CA-SD 3.22Å; G105-M124 PolarHBondContact N-SD 3.15Å; G105-M200 PolarHBondContact N-O 3.45Å; G105-M200 WeakPolarHBondContact O-CE 3.37Å
106	T	97.9	Very high	97.5	Very high	37 Å²	37	40.4 Å²	40.4	23%	0.227	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	145.9	176	-171.6	0	0	0	0	109.9	A95 I97 L100 I123 M200	A95-T106 HydrophobicContact CB-CG2 4.04Å; I97-T106 HydrophobicContact CD1-CG2 4.38Å; L100-T106 HydrophobicContact CD2-CG2 4.41Å; T106-I123 PolarHBondContact N-O 2.95Å; T106-I123 PolarHBondContact O-N 3.39Å; T106-M200 VanDerWaalsContact C-CE 3.45Å; T106-M200 VanDerWaalsContact CA-CE 3.44Å; T106-M200 VanDerWaalsContact N-CE 3.33Å
107	L	98.3	Very high	97.6	Very high	41 Å²	41	39 Å²	39	22%	0.215	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	141.3	155	-175.1	66.4	0	0	0	107.6	T121 I122 W290 L291	L107-T121 CarbonylContact C-O 3.39Å; L107-I122 HydrophobicContact CB-CD1 4.14Å; L107-I122 HydrophobicContact CD1-CD1 3.88Å; L107-W290 HydrophobicContact CB-CH2 3.91Å; L107-W290 HydrophobicContact CB-CZ3 4.4Å; L107-W290 HydrophobicContact CD2-CH2 3.64Å; L107-W290 HydrophobicContact CD2-CZ2 3.83Å; L107-W290 HydrophobicContact CG-CH2 4.29Å; L107-L291 HydrophobicContact CB-CD2 3.93Å; L107-L291 HydrophobicContact CD2-CD2 4.09Å; L107-L291 HydrophobicContact CG-CD2 3.91Å; L107-L291 WeakPolarHBondContact O-CD2 3.37Å
108	S	98.3	Very high	97.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	-180	178.9	-167.4	0	0	0	0	109.5	T93 A95 D120 T121	T93-S108 WeakPolarHBondContact CB-OG 3.49Å; A95-S108 VanDerWaalsContact CB-OG 3.24Å; A95-S108 WeakPolarHBondContact CB-OG 3.24Å; S108-D120 WeakPolarHBondContact O-CA 3.43Å; S108-T121 PolarHBondContact N-O 3.04Å; S108-T121 PolarHBondContact O-N 2.84Å
109	V	98.6	Very high	97.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	134.5	174.2	-75.5	0	0	0	0	109.2	T93 L111 I117 D119 D120 P283 L291	T93-V109 WeakPolarHBondContact CA-O 3.48Å; T93-V109 VanDerWaalsContact CB-O 3.3Å; T93-V109 WeakPolarHBondContact CB-O 3.33Å; T93-V109 WeakPolarHBondContact CG2-O 3.36Å; V109-L111 HydrophobicContact CB-CD2 4.32Å; V109-L111 HydrophobicContact CG2-CD1 4.3Å; V109-L111 HydrophobicContact CG2-CD2 3.78Å; V109-L111 HydrophobicContact CG2-CG 3.91Å; V109-I117 HydrophobicContact CB-CG1 4.36Å; V109-I117 HydrophobicContact CB-CG2 4Å; V109-I117 HydrophobicContact CG1-CD1 4.26Å; V109-I117 HydrophobicContact CG1-CG1 4.1Å; V109-I117 HydrophobicContact CG1-CG2 3.66Å; V109-D119 CarbonylContact C-O 3.51Å; V109-D119 VanDerWaalsContact CA-O 3.28Å; V109-D119 WeakPolarHBondContact CA-O 3.36Å; V109-D120 HydrophobicContact CG1-CB 4.01Å; V109-P283 HydrophobicContact CG2-CG 3.92Å; V109-L291 HydrophobicContact CG1-CD1 3.86Å; V109-L291 HydrophobicContact CG2-CD1 4.4Å
110	F	98.7	Very high	97.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	132.2	158.8	-74.6	-69.6	0	0	0	108.3	L92 T93 L118 D119 T121 I133 I143 V147	L92-F110 HydrophobicContact CB-CD1 3.76Å; L92-F110 HydrophobicContact CB-CE1 3.87Å; L92-F110 HydrophobicContact CD1-CD1 4.46Å; L92-F110 HydrophobicContact CD1-CE1 3.97Å; T93-F110 HydrophobicContact CG2-CD1 3.87Å; T93-F110 HydrophobicContact CG2-CE1 4.02Å; T93-F110 HydrophobicContact CG2-CG 4.49Å; F110-L118 HydrophobicContact CB-CB 4.03Å; F110-L118 HydrophobicContact CB-CD2 4.38Å; F110-L118 PolarHBondContact O-N 3.24Å; F110-D119 HydrophobicContact CD2-CB 4.32Å; F110-D119 PolarHBondContact N-O 3.48Å; F110-T121 HydrophobicContact CD2-CG2 3.78Å; F110-T121 HydrophobicContact CE2-CG2 3.68Å; F110-T121 HydrophobicContact CZ-CG2 4.45Å; F110-I133 HydrophobicContact CE2-CG2 4.36Å; F110-I133 HydrophobicContact CZ-CG2 4.44Å; F110-I143 HydrophobicContact CB-CD1 4.08Å; F110-I143 HydrophobicContact CD2-CD1 3.67Å; F110-I143 HydrophobicContact CE2-CD1 4.34Å; F110-I143 HydrophobicContact CE2-CG2 4.15Å; F110-I143 HydrophobicContact CG-CD1 3.97Å; F110-V147 HydrophobicContact CE1-CG2 3.97Å; F110-V147 HydrophobicContact CZ-CG2 4.02Å
111	L	98.5	Very high	97.9	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	141.6	-172.7	-70.2	172.9	0	0	0	111.6	L92 C94 V109 G116 I117 P283 F304 P305 I310	L92-L111 PolarHBondContact O-N 2.98Å; C94-L111 HydrophobicContact CB-CD1 3.73Å; V109-L111 HydrophobicContact CB-CD2 4.32Å; V109-L111 HydrophobicContact CG2-CD1 4.3Å; V109-L111 HydrophobicContact CG2-CD2 3.78Å; V109-L111 HydrophobicContact CG2-CG 3.91Å; L111-G116 WeakPolarHBondContact CA-O 3.43Å; L111-I117 HydrophobicContact CD2-CG1 4.23Å; L111-P283 HydrophobicContact CD2-CG 3.74Å; L111-F304 HydrophobicContact CD1-CD2 4.15Å; L111-P305 HydrophobicContact CB-CB 3.78Å; L111-P305 HydrophobicContact CB-CG 4.28Å; L111-P305 VanDerWaalsContact O-CB 3.28Å; L111-P305 WeakPolarHBondContact O-CB 3.2Å; L111-I310 HydrophobicContact CD1-CD1 3.81Å; L111-I310 HydrophobicContact CD2-CD1 4.29Å
112	L	97.9	Very high	98	Very high	46 Å²	46	26.7 Å²	26.7	24%	0.241	15%	0.153	C	C	.	.			trans	-82	162	165.1	-64	178.3	0	0	0	110.6	S114 G115 G116 L118 E279 P305 G306	L112-S114 WeakPolarHBondContact CB-OG 3.39Å; L112-S114 PolarHBondContact O-N 3.13Å; L112-S114 VanDerWaalsContact O-N 3.17Å; L112-G115 WeakPolarHBondContact O-CA 3.18Å; L112-G115 PolarHBondContact O-N 3.05Å; L112-G116 PolarHBondContact N-O 3.15Å; L112-L118 HydrophobicContact CD2-CB 4.39Å; L112-L118 HydrophobicContact CD2-CD1 4.25Å; L112-L118 HydrophobicContact CD2-CD2 4.49Å; L112-L118 HydrophobicContact CG-CB 4.33Å; L112-E279 HydrophobicContact CD1-CB 3.78Å; L112-E279 HydrophobicContact CD1-CG 3.76Å; L112-P305 CarbonylContact O-C 3.55Å; L112-G306 PolarHBondContact O-N 3Å
113	N	97	Very high	98.1	Very high	141 Å²	141	21.4 Å²	21.4	75%	0.754	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63	-20.1	173.5	-73.5	-25.4	0	0	0	113.3	G115 G306	N113-G115 PolarHBondContact O-N 3.2Å; N113-G306 VanDerWaalsContact O-CA 3.31Å; N113-G306 WeakPolarHBondContact O-CA 3.18Å
114	S	96.7	Very high	98.1	Very high	65 Å²	65	20.5 Å²	20.5	46%	0.455	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-9.4	169.9	58.1	0	0	0	0	113.6	L112 G116 I309	L112-S114 WeakPolarHBondContact CB-OG 3.39Å; L112-S114 PolarHBondContact O-N 3.13Å; L112-S114 VanDerWaalsContact O-N 3.17Å; S114-G116 PolarHBondContact OG-N 3.49Å; S114-I309 WeakPolarHBondContact O-CD1 3.4Å
115	G	97.1	Very high	98.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.123	C	C	.	.	S	Bend	trans	82	-1.2	-170.8	0	0	0	0	0	114.1	L112 N113 T282 P283	L112-G115 WeakPolarHBondContact O-CA 3.18Å; L112-G115 PolarHBondContact O-N 3.05Å; N113-G115 PolarHBondContact O-N 3.2Å; G115-T282 WeakPolarHBondContact O-CA 3.42Å; G115-P283 WeakPolarHBondContact O-CD 3.15Å
116	G	98.1	Very high	98.1	Very high	3 Å²	3	21.8 Å²	21.8	3%	0.031	12%	0.121	C	C	.	.			trans	-65.8	148.5	173.3	0	0	0	0	0	112.9	L111 L112 S114 L118 E279 T281	L111-G116 WeakPolarHBondContact CA-O 3.43Å; L112-G116 PolarHBondContact N-O 3.15Å; S114-G116 PolarHBondContact OG-N 3.49Å; G116-L118 PolarHBondContact O-N 3.45Å; G116-E279 VanDerWaalsContact CA-O 3.27Å; G116-E279 WeakPolarHBondContact CA-O 3.22Å; G116-T281 WeakPolarHBondContact CA-O 3.41Å
117	I	98.7	Very high	98	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	112	179.2	-62.5	163.3	0	0	0	109.3	V109 L111 Y273 I277 S278 E279 T281 P283 A286 L288	V109-I117 HydrophobicContact CB-CG1 4.36Å; V109-I117 HydrophobicContact CB-CG2 4Å; V109-I117 HydrophobicContact CG1-CD1 4.26Å; V109-I117 HydrophobicContact CG1-CG1 4.1Å; V109-I117 HydrophobicContact CG1-CG2 3.66Å; L111-I117 HydrophobicContact CD2-CG1 4.23Å; I117-Y273 HydrophobicContact CG2-CD2 4.49Å; I117-Y273 HydrophobicContact CG2-CE2 4.28Å; I117-Y273 WeakPolarHBondContact O-CE2 3.17Å; I117-Y273 PolarHBondContact O-OH 2.74Å; I117-I277 HydrophobicContact CD1-CB 3.97Å; I117-I277 HydrophobicContact CD1-CG2 3.86Å; I117-I277 HydrophobicContact CG2-CD1 4.26Å; I117-S278 PolarHBondContact N-O 3.06Å; I117-S278 CarbonylContact O-C 3.47Å; I117-S278 VanDerWaalsContact O-O 3.13Å; I117-E279 VanDerWaalsContact O-CA 3.32Å; I117-E279 WeakPolarHBondContact O-CA 3.11Å; I117-E279 PolarHBondContact O-N 3.19Å; I117-T281 WeakPolarHBondContact CG1-O 3.41Å; I117-T281 PolarHBondContact N-O 3.45Å; I117-P283 HydrophobicContact CD1-CG 4.22Å; I117-P283 HydrophobicContact CG1-CG 3.98Å; I117-A286 HydrophobicContact CD1-CB 4.18Å; I117-L288 HydrophobicContact CD1-CD1 4.48Å
118	L	98.4	Very high	97.9	Very high	10 Å²	10	27 Å²	27	5%	0.052	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	-40.5	175.4	-179.4	62.5	0	0	0	111.7	F110 L112 G116 K142 I143 H146 Y273 E279	F110-L118 HydrophobicContact CB-CB 4.03Å; F110-L118 HydrophobicContact CB-CD2 4.38Å; F110-L118 PolarHBondContact O-N 3.24Å; L112-L118 HydrophobicContact CD2-CB 4.39Å; L112-L118 HydrophobicContact CD2-CD1 4.25Å; L112-L118 HydrophobicContact CD2-CD2 4.49Å; L112-L118 HydrophobicContact CG-CB 4.33Å; G116-L118 PolarHBondContact O-N 3.45Å; L118-K142 HydrophobicContact CD1-CD 3.95Å; L118-K142 WeakPolarHBondContact O-CE 3.38Å; L118-K142 PolarHBondContact O-NZ 3.44Å; L118-I143 HydrophobicContact CD2-CD1 3.76Å; L118-I143 HydrophobicContact CG-CD1 3.82Å; L118-H146 HydrophobicContact CD2-CB 3.93Å; L118-Y273 WeakPolarHBondContact O-CE2 3.3Å; L118-Y273 PolarHBondContact O-OH 3.09Å; L118-E279 HydrophobicContact CD1-CG 4.15Å; L118-E279 WeakPolarHBondContact CD1-OE1 3.28Å
119	D	98.7	Very high	97.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	149.2	174.2	-168.4	32.7	0	0	0	108.4	V109 F110 S135 N136 C139 I143	V109-D119 CarbonylContact C-O 3.51Å; V109-D119 VanDerWaalsContact CA-O 3.28Å; V109-D119 WeakPolarHBondContact CA-O 3.36Å; F110-D119 HydrophobicContact CD2-CB 4.32Å; F110-D119 PolarHBondContact N-O 3.48Å; D119-S135 WeakPolarHBondContact OD2-CB 3.27Å; D119-S135 PolarHBondContact OD2-OG 2.86Å; D119-N136 WeakPolarHBondContact OD1-CB 3.42Å; D119-N136 PolarHBondContact OD1-ND2 2.69Å; D119-N136 PolarHBondContact OD2-N 2.98Å; D119-C139 HydrophobicContact CB-CB 4.02Å; D119-C139 VanDerWaalsContact CG-CB 3.47Å; D119-C139 WeakPolarHBondContact OD1-CB 3.41Å; D119-C139 PolarHBondContact OD1-SG 3.26Å; D119-I143 HydrophobicContact CB-CD1 3.56Å; D119-I143 HydrophobicContact CB-CG1 3.73Å
120	D	98.4	Very high	97.7	Very high	19 Å²	19	32.8 Å²	32.8	10%	0.102	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	148	160.8	67.6	-41.9	0	0	0	110.3	S108 V109 N136 I277	S108-D120 WeakPolarHBondContact O-CA 3.43Å; V109-D120 HydrophobicContact CG1-CB 4.01Å; D120-N136 PolarHBondContact O-ND2 2.63Å; D120-N136 VanDerWaalsContact O-ND2 3.14Å; D120-N136 PolarHBondContact OD1-ND2 3.19Å; D120-I277 HydrophobicContact CB-CD1 3.71Å
121	T	98.6	Very high	97.7	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.018	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	151.2	-168.9	-177.7	0	0	0	0	111.7	L107 S108 F110 I123 I133 V134	L107-T121 CarbonylContact C-O 3.39Å; S108-T121 PolarHBondContact N-O 3.04Å; S108-T121 PolarHBondContact O-N 2.84Å; F110-T121 HydrophobicContact CD2-CG2 3.78Å; F110-T121 HydrophobicContact CE2-CG2 3.68Å; F110-T121 HydrophobicContact CZ-CG2 4.45Å; T121-I123 HydrophobicContact CG2-CD1 4.13Å; T121-I123 HydrophobicContact CG2-CG1 4Å; T121-I133 WeakPolarHBondContact OG1-CG2 3.43Å; T121-V134 WeakPolarHBondContact CA-O 3.28Å; T121-V134 WeakPolarHBondContact CB-O 3.47Å; T121-V134 PolarHBondContact OG1-O 3.3Å
122	I	98.6	Very high	97.7	Very high	35 Å²	35	32.9 Å²	32.9	18%	0.179	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	126	167.6	-63.5	-70.3	0	0	0	108.3	L107 M124 I133 V134 M200	L107-I122 HydrophobicContact CB-CD1 4.14Å; L107-I122 HydrophobicContact CD1-CD1 3.88Å; I122-M124 HydrophobicContact CG2-CE 3.21Å; I122-M124 HydrophobicContact CG2-CG 4.28Å; I122-I133 VanDerWaalsContact O-CA 3.32Å; I122-I133 WeakPolarHBondContact O-CA 3.29Å; I122-V134 HydrophobicContact CB-CB 4.49Å; I122-V134 PolarHBondContact N-O 3.39Å; I122-V134 PolarHBondContact O-N 2.96Å; I122-M200 HydrophobicContact CD1-CE 3.91Å; I122-M200 HydrophobicContact CD1-SD 4.27Å; I122-M200 HydrophobicContact CG2-CE 4.24Å
123	I	98.7	Very high	97.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	124.9	175.5	-56.5	172.1	0	0	0	108.5	L89 T93 I97 G105 T106 T121 I133	L89-I123 HydrophobicContact CD1-CD1 4.12Å; L89-I123 HydrophobicContact CD1-CG1 4.46Å; L89-I123 HydrophobicContact CD1-CG2 3.72Å; T93-I123 HydrophobicContact CG2-CD1 3.99Å; I97-I123 HydrophobicContact CD1-CB 4.26Å; I97-I123 HydrophobicContact CD1-CD1 4.05Å; I97-I123 HydrophobicContact CD1-CG2 3.86Å; G105-I123 CarbonylContact C-O 3.56Å; G105-I123 WeakPolarHBondContact CA-O 3.36Å; T106-I123 PolarHBondContact N-O 2.95Å; T106-I123 PolarHBondContact O-N 3.39Å; T121-I123 HydrophobicContact CG2-CD1 4.13Å; T121-I123 HydrophobicContact CG2-CG1 4Å; I123-I133 HydrophobicContact CG1-CG1 4.49Å; I123-I133 HydrophobicContact CG1-CG2 4.45Å
124	M	98.4	Very high	97.8	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	130.8	177.6	-64.5	-75.1	150.3	0	0	109.9	G105 I122 C126 L131 Y132 M200 T221	G105-M124 WeakPolarHBondContact CA-SD 3.22Å; G105-M124 PolarHBondContact N-SD 3.15Å; I122-M124 HydrophobicContact CG2-CE 3.21Å; I122-M124 HydrophobicContact CG2-CG 4.28Å; M124-C126 PolarHBondContact O-N 3.4Å; M124-L131 WeakPolarHBondContact O-CA 3.46Å; M124-Y132 HydrophobicContact CB-CD1 4.29Å; M124-Y132 HydrophobicContact CG-CD1 4.1Å; M124-Y132 PolarHBondContact N-O 3.19Å; M124-Y132 PolarHBondContact O-N 3.16Å; M124-M200 HydrophobicContact CE-CE 3.63Å; M124-M200 HydrophobicContact CE-SD 4.32Å; M124-T221 HydrophobicContact CE-CG2 3.44Å; M124-T221 VanDerWaalsContact CE-CG2 3.44Å; M124-T221 HydrophobicContact SD-CG2 3.88Å
125	K	98.3	Very high	97.9	Very high	46 Å²	46	21.2 Å²	21.2	20%	0.2	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	98.6	167.8	-170.5	-176.6	-169.5	172.8	0	108.5	I97 E98 L100 I102 S103 S104 L131	I97-K125 PolarHBondContact O-NZ 2.77Å; E98-K125 PolarHBondContact O-NZ 2.83Å; L100-K125 HydrophobicContact CB-CB 4.33Å; L100-K125 HydrophobicContact CB-CD 4.21Å; L100-K125 HydrophobicContact CD2-CB 3.78Å; L100-K125 HydrophobicContact CG-CB 4.06Å; L100-K125 WeakPolarHBondContact O-CD 3.44Å; L100-K125 PolarHBondContact O-NZ 2.74Å; I102-K125 CarbonylContact C-O 3.52Å; S103-K125 WeakPolarHBondContact CA-O 3.02Å; S103-K125 PolarHBondContact N-O 3.01Å; S104-K125 PolarHBondContact O-N 2.83Å; K125-L131 HydrophobicContact CB-CD2 4.03Å; K125-L131 HydrophobicContact CG-CD2 3.95Å
126	C	96.9	Very high	97.9	Very high	8 Å²	8	22.5 Å²	22.5	5%	0.054	12%	0.115	C	C	.	.			trans	-76.9	165.9	-173.6	-57.4	0	0	0	0	112	M124 E128 Y130 Y132 R219	M124-C126 PolarHBondContact O-N 3.4Å; C126-E128 VanDerWaalsContact C-N 3.28Å; C126-E128 HydrophobicContact CB-CB 4.42Å; C126-E128 VanDerWaalsContact CB-OE2 3.28Å; C126-E128 WeakPolarHBondContact CB-OE2 3.34Å; C126-Y130 HydrophobicContact CB-CD2 4.16Å; C126-Y130 HydrophobicContact CB-CE2 3.98Å; C126-Y130 WeakPolarHBondContact CB-O 3.49Å; C126-Y132 VanDerWaalsContact SG-CB 3.52Å; C126-R219 VanDerWaalsContact SG-CZ 3.53Å
127	K	95.4	Very high	97.7	Very high	142 Å²	142	22.9 Å²	22.9	62%	0.617	12%	0.118	S	C	*	.	S	Bend	trans	-69.7	-34.5	168.1	-74.6	178.3	179.3	177.3	0	110.7	I102 S103	I102-K127 HydrophobicContact CG2-CB 4.22Å; I102-K127 HydrophobicContact CG2-CG 3.54Å; S103-K127 WeakPolarHBondContact OG-CE 3.01Å; S103-K127 VanDerWaalsContact OG-CG 3.31Å; S103-K127 WeakPolarHBondContact OG-CG 3.3Å
128	E	95.2	Very high	97.3	Very high	47 Å²	47	26.1 Å²	26.1	22%	0.22	14%	0.144	C	C	.	.	S	Bend	trans	-65	158.9	175.7	-59.3	73.3	-140.7	0	0	110.7	C126 Y130 L204 R219	C126-E128 VanDerWaalsContact C-N 3.28Å; C126-E128 HydrophobicContact CB-CB 4.42Å; C126-E128 VanDerWaalsContact CB-OE2 3.28Å; C126-E128 WeakPolarHBondContact CB-OE2 3.34Å; E128-Y130 HydrophobicContact CB-CD1 3.71Å; E128-Y130 HydrophobicContact CB-CE1 3.33Å; E128-Y130 HydrophobicContact CB-CE2 4.34Å; E128-Y130 HydrophobicContact CB-CG 4.38Å; E128-Y130 HydrophobicContact CG-CE1 3.92Å; E128-Y130 PolarHBondContact O-N 3.08Å; E128-L204 VanDerWaalsContact CD-CD1 3.49Å; E128-L204 HydrophobicContact CG-CD1 3.8Å; E128-L204 WeakPolarHBondContact OE1-CD1 3.36Å; E128-R219 IonicContact OE2-CZ 2.78Å; E128-R219 IonicContact OE2-NH1 3.39Å; E128-R219 IonicContact OE2-NH2 3.63Å; E128-R219 PolarHBondContact OE2-NH2 2.6Å
129	P	95.4	Very high	97.2	Very high	99 Å²	99	25.7 Å²	25.7	64%	0.643	14%	0.142	S	C	*	.	S	Bend	trans	-75.8	38	-174.8	32.9	-37.5	0	0	0	113.7
130	Y	97.7	Very high	97.1	Very high	21 Å²	21	26.6 Å²	26.6	8%	0.082	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	160.6	176.1	59.9	-106.5	0	0	0	111.7	Q79 V80 C126 E128 R219	Q79-Y130 HydrophobicContact CB-CD2 4.26Å; Q79-Y130 HydrophobicContact CB-CG 4.23Å; Q79-Y130 HydrophobicContact CG-CD2 3.8Å; Q79-Y130 HydrophobicContact CG-CE2 3.96Å; Q79-Y130 HydrophobicContact CG-CG 4.09Å; Q79-Y130 PolarHBondContact NE2-OH 3.1Å; V80-Y130 CarbonylContact O-C 3.57Å; V80-Y130 VanDerWaalsContact O-CA 3.24Å; V80-Y130 WeakPolarHBondContact O-CA 3.26Å; C126-Y130 HydrophobicContact CB-CD2 4.16Å; C126-Y130 HydrophobicContact CB-CE2 3.98Å; C126-Y130 WeakPolarHBondContact CB-O 3.49Å; E128-Y130 HydrophobicContact CB-CD1 3.71Å; E128-Y130 HydrophobicContact CB-CE1 3.33Å; E128-Y130 HydrophobicContact CB-CE2 4.34Å; E128-Y130 HydrophobicContact CB-CG 4.38Å; E128-Y130 HydrophobicContact CG-CE1 3.92Å; E128-Y130 PolarHBondContact O-N 3.08Å; Y130-R219 PolarHBondContact OH-NH2 2.92Å
131	L	98.6	Very high	96.9	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	140.7	161.2	-58.1	173.7	0	0	0	107.9	Q79 V80 R85 L89 I97 M124 K125	Q79-L131 CarbonylContact C-O 3.56Å; Q79-L131 VanDerWaalsContact CA-O 3.29Å; Q79-L131 WeakPolarHBondContact CA-O 3.24Å; V80-L131 HydrophobicContact CB-CB 4.42Å; V80-L131 PolarHBondContact N-O 3.32Å; V80-L131 PolarHBondContact O-N 3.26Å; R85-L131 HydrophobicContact CB-CD1 4.28Å; R85-L131 HydrophobicContact CB-CG 4.49Å; R85-L131 HydrophobicContact CG-CD1 4.19Å; R85-L131 HydrophobicContact CG-CG 4.12Å; R85-L131 WeakPolarHBondContact O-CD1 3.22Å; L89-L131 HydrophobicContact CB-CD1 4.28Å; L89-L131 HydrophobicContact CD1-CB 4.21Å; L89-L131 HydrophobicContact CD1-CD1 3.46Å; L89-L131 VanDerWaalsContact CD1-CD1 3.46Å; L89-L131 HydrophobicContact CD1-CG 4.47Å; L89-L131 HydrophobicContact CG-CD1 3.79Å; I97-L131 HydrophobicContact CG2-CD1 3.74Å; I97-L131 HydrophobicContact CG2-CD2 3.99Å; M124-L131 WeakPolarHBondContact O-CA 3.46Å; K125-L131 HydrophobicContact CB-CD2 4.03Å; K125-L131 HydrophobicContact CG-CD2 3.95Å
132	Y	98.5	Very high	96.8	Very high	4 Å²	4	33 Å²	33	2%	0.016	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	130.2	174.8	171.9	-106.8	0	0	0	109.6	Q77 M78 M124 C126 V134 L166	Q77-Y132 HydrophobicContact CB-CE2 4.17Å; Q77-Y132 HydrophobicContact CG-CE2 4.48Å; Q77-Y132 PolarHBondContact OE1-OH 3.16Å; M78-Y132 WeakPolarHBondContact O-CA 3.5Å; M124-Y132 HydrophobicContact CB-CD1 4.29Å; M124-Y132 HydrophobicContact CG-CD1 4.1Å; M124-Y132 PolarHBondContact N-O 3.19Å; M124-Y132 PolarHBondContact O-N 3.16Å; C126-Y132 VanDerWaalsContact SG-CB 3.52Å; Y132-V134 HydrophobicContact CD1-CG2 4.33Å; Y132-V134 HydrophobicContact CE1-CG2 3.46Å; Y132-V134 VanDerWaalsContact CE1-CG2 3.46Å; Y132-V134 HydrophobicContact CE2-CG2 4.43Å; Y132-V134 WeakPolarHBondContact OH-CG2 3.28Å; Y132-L166 HydrophobicContact CD2-CD1 4.18Å; Y132-L166 HydrophobicContact CE2-CD1 3.84Å
133	I	98.6	Very high	96.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	134	-172.5	-52.1	176.6	0	0	0	109.1	Q77 M78 V80 L89 F110 T121 I122 I123	Q77-I133 WeakPolarHBondContact CA-O 3.44Å; M78-I133 HydrophobicContact CB-CB 4.38Å; M78-I133 HydrophobicContact CE-CB 4.36Å; M78-I133 HydrophobicContact CE-CG2 4.06Å; M78-I133 PolarHBondContact N-O 3.25Å; M78-I133 PolarHBondContact O-N 3.32Å; V80-I133 HydrophobicContact CG2-CD1 3.48Å; V80-I133 VanDerWaalsContact CG2-CD1 3.48Å; V80-I133 HydrophobicContact CG2-CG1 4.39Å; L89-I133 HydrophobicContact CD1-CD1 3.45Å; L89-I133 VanDerWaalsContact CD1-CD1 3.45Å; L89-I133 HydrophobicContact CD1-CG1 4.01Å; L89-I133 HydrophobicContact CD2-CD1 3.79Å; L89-I133 HydrophobicContact CG-CD1 4.24Å; F110-I133 HydrophobicContact CE2-CG2 4.36Å; F110-I133 HydrophobicContact CZ-CG2 4.44Å; T121-I133 WeakPolarHBondContact OG1-CG2 3.43Å; I122-I133 VanDerWaalsContact O-CA 3.32Å; I122-I133 WeakPolarHBondContact O-CA 3.29Å; I123-I133 HydrophobicContact CG1-CG1 4.49Å; I123-I133 HydrophobicContact CG1-CG2 4.45Å
134	V	98.6	Very high	96.8	Very high	7 Å²	7	34.2 Å²	34.2	4%	0.042	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	124	170.6	-174.2	0	0	0	0	109.5	M75 L76 Q77 T121 I122 Y132 L170	M75-V134 HydrophobicContact CB-CG1 4.02Å; M75-V134 HydrophobicContact CE-CG1 4.2Å; L76-V134 CarbonylContact O-C 3.59Å; L76-V134 VanDerWaalsContact O-CA 3.29Å; L76-V134 WeakPolarHBondContact O-CA 3.23Å; Q77-V134 HydrophobicContact CG-CG2 4.47Å; T121-V134 WeakPolarHBondContact CA-O 3.28Å; T121-V134 WeakPolarHBondContact CB-O 3.47Å; T121-V134 PolarHBondContact OG1-O 3.3Å; I122-V134 HydrophobicContact CB-CB 4.49Å; I122-V134 PolarHBondContact N-O 3.39Å; I122-V134 PolarHBondContact O-N 2.96Å; Y132-V134 HydrophobicContact CD1-CG2 4.33Å; Y132-V134 HydrophobicContact CE1-CG2 3.46Å; Y132-V134 VanDerWaalsContact CE1-CG2 3.46Å; Y132-V134 HydrophobicContact CE2-CG2 4.43Å; Y132-V134 WeakPolarHBondContact OH-CG2 3.28Å; V134-L170 HydrophobicContact CG1-CD2 3.94Å
135	S	98.1	Very high	96.7	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	160	-176.9	-96.1	0	0	0	0	111.7	M75 L76 D119	M75-S135 WeakPolarHBondContact CE-O 3.28Å; L76-S135 PolarHBondContact N-O 2.8Å; L76-S135 PolarHBondContact O-N 3.45Å; D119-S135 WeakPolarHBondContact OD2-CB 3.27Å; D119-S135 PolarHBondContact OD2-OG 2.86Å
136	N	97.1	Very high	96.7	Very high	26 Å²	26	36.6 Å²	36.6	14%	0.139	22%	0.216	C	C	.	.			trans	-65.9	145	-177.1	-70.1	-76.7	0	0	0	112.8	D119 D120 A138 C139 S140	D119-N136 WeakPolarHBondContact OD1-CB 3.42Å; D119-N136 PolarHBondContact OD1-ND2 2.69Å; D119-N136 PolarHBondContact OD2-N 2.98Å; D120-N136 PolarHBondContact O-ND2 2.63Å; D120-N136 VanDerWaalsContact O-ND2 3.14Å; D120-N136 PolarHBondContact OD1-ND2 3.19Å; N136-A138 PolarHBondContact O-N 2.85Å; N136-C139 HydrophobicContact CB-CB 4.21Å; N136-C139 CarbonylContact O-C 3.43Å; N136-C139 PolarHBondContact O-N 3.48Å; N136-C139 VanDerWaalsContact O-N 3.08Å; N136-S140 PolarHBondContact O-N 3.02Å; N136-S140 VanDerWaalsContact O-N 3.13Å; N136-S140 PolarHBondContact O-OG 2.63Å; N136-S140 VanDerWaalsContact O-OG 3.09Å
137	A	93.9	Very high	96.7	Very high	12 Å²	12	36.2 Å²	36.2	10%	0.099	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-58.4	-45	175.7	0	0	0	0	0	112.6	C43 H74 C139 S140	C43-A137 HydrophobicContact CB-CB 4.17Å; H74-A137 HydrophobicContact CB-CB 4.06Å; H74-A137 VanDerWaalsContact CD2-CB 3.41Å; H74-A137 WeakPolarHBondContact CD2-CB 3.29Å; H74-A137 WeakPolarHBondContact O-CB 3.39Å; A137-C139 PolarHBondContact O-N 3.37Å; A137-C139 VanDerWaalsContact O-N 3.13Å; A137-S140 WeakPolarHBondContact CA-OG 3.32Å; A137-S140 WeakPolarHBondContact O-CB 3.15Å; A137-S140 PolarHBondContact O-N 3.22Å; A137-S140 VanDerWaalsContact O-N 3.14Å; A137-S140 PolarHBondContact O-OG 3.05Å
138	A	92.2	Very high	96.8	Very high	67 Å²	67	32.1 Å²	32.1	55%	0.554	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-59.6	-25.6	177.3	0	0	0	0	0	113.1	C43 N136	C43-A138 HydrophobicContact CB-CB 4.37Å; N136-A138 PolarHBondContact O-N 2.85Å
139	C	95.9	Very high	96.9	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.007	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-100.8	-2.1	-176.3	-60.8	0	0	0	0	112.8	D119 N136 A137 S141 K142 I143 Y273	D119-C139 HydrophobicContact CB-CB 4.02Å; D119-C139 VanDerWaalsContact CG-CB 3.47Å; D119-C139 WeakPolarHBondContact OD1-CB 3.41Å; D119-C139 PolarHBondContact OD1-SG 3.26Å; N136-C139 HydrophobicContact CB-CB 4.21Å; N136-C139 CarbonylContact O-C 3.43Å; N136-C139 PolarHBondContact O-N 3.48Å; N136-C139 VanDerWaalsContact O-N 3.08Å; A137-C139 PolarHBondContact O-N 3.37Å; A137-C139 VanDerWaalsContact O-N 3.13Å; C139-S141 PolarHBondContact O-N 3.3Å; C139-K142 HydrophobicContact CB-CD 4.49Å; C139-K142 HydrophobicContact CB-CG 4.23Å; C139-K142 WeakPolarHBondContact O-CG 3.11Å; C139-K142 PolarHBondContact O-N 3.27Å; C139-K142 WeakPolarHBondContact SG-CE 3.36Å; C139-I143 HydrophobicContact CB-CG1 3.98Å; C139-I143 WeakPolarHBondContact O-CB 3.14Å; C139-I143 WeakPolarHBondContact O-CG1 3.22Å; C139-I143 PolarHBondContact O-N 3.08Å; C139-Y273 WeakPolarHBondContact SG-CD1 3.39Å; C139-Y273 WeakPolarHBondContact SG-CE1 3.45Å
140	S	95.4	Very high	97	Very high	20 Å²	20	31.8 Å²	31.8	14%	0.14	19%	0.191	C	C	.	.	H	α-helix	trans	-57.7	-50.9	-166.9	-63.9	0	0	0	0	112.6	L76 N136 A137 K142 I143 I144	L76-S140 WeakPolarHBondContact CB-OG 3.43Å; N136-S140 PolarHBondContact O-N 3.02Å; N136-S140 VanDerWaalsContact O-N 3.13Å; N136-S140 PolarHBondContact O-OG 2.63Å; N136-S140 VanDerWaalsContact O-OG 3.09Å; A137-S140 WeakPolarHBondContact CA-OG 3.32Å; A137-S140 WeakPolarHBondContact O-CB 3.15Å; A137-S140 PolarHBondContact O-N 3.22Å; A137-S140 VanDerWaalsContact O-N 3.14Å; A137-S140 PolarHBondContact O-OG 3.05Å; S140-K142 PolarHBondContact O-N 2.84Å; S140-I143 PolarHBondContact O-N 2.89Å; S140-I144 WeakPolarHBondContact O-CB 3.44Å; S140-I144 VanDerWaalsContact O-CG1 3.25Å; S140-I144 WeakPolarHBondContact O-CG1 3.45Å; S140-I144 PolarHBondContact O-N 2.71Å
141	S	95.3	Very high	97	Very high	96 Å²	96	32.5 Å²	32.5	67%	0.671	20%	0.195	S	C	*	.	H	α-helix	trans	-61.7	-43	-179.2	-54.9	0	0	0	0	112.4	C139 A145	C139-S141 PolarHBondContact O-N 3.3Å; S141-A145 WeakPolarHBondContact O-CB 3.37Å; S141-A145 PolarHBondContact O-N 2.94Å
142	K	96.4	Very high	97	Very high	60 Å²	60	35.7 Å²	35.7	26%	0.261	22%	0.215	S	C	.	.	H	α-helix	trans	-73.3	-35	-178.9	66.7	174.3	-168.2	174.2	0	112.6	L118 C139 S140 A145 H146 Y273 E279	L118-K142 HydrophobicContact CD1-CD 3.95Å; L118-K142 WeakPolarHBondContact O-CE 3.38Å; L118-K142 PolarHBondContact O-NZ 3.44Å; C139-K142 HydrophobicContact CB-CD 4.49Å; C139-K142 HydrophobicContact CB-CG 4.23Å; C139-K142 WeakPolarHBondContact O-CG 3.11Å; C139-K142 PolarHBondContact O-N 3.27Å; C139-K142 WeakPolarHBondContact SG-CE 3.36Å; S140-K142 PolarHBondContact O-N 2.84Å; K142-A145 PolarHBondContact O-N 3.43Å; K142-H146 VanDerWaalsContact O-CB 3.24Å; K142-H146 WeakPolarHBondContact O-CB 3.41Å; K142-H146 PolarHBondContact O-N 2.91Å; K142-Y273 VanDerWaalsContact NZ-CZ 3.25Å; K142-Y273 PolarHBondContact NZ-OH 3.03Å; K142-E279 IonicContact NZ-OE1 3.59Å; K142-E279 PolarHBondContact NZ-OE1 2.84Å
143	I	98	Very high	97	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-69.4	-44.4	175.6	-71.2	-57	0	0	0	110.6	L76 M78 F110 L118 D119 C139 S140 A145 H146 V147	L76-I143 HydrophobicContact CD2-CB 4.16Å; L76-I143 HydrophobicContact CD2-CG2 3.84Å; M78-I143 HydrophobicContact CE-CG2 3.63Å; F110-I143 HydrophobicContact CB-CD1 4.08Å; F110-I143 HydrophobicContact CD2-CD1 3.67Å; F110-I143 HydrophobicContact CE2-CD1 4.34Å; F110-I143 HydrophobicContact CE2-CG2 4.15Å; F110-I143 HydrophobicContact CG-CD1 3.97Å; L118-I143 HydrophobicContact CD2-CD1 3.76Å; L118-I143 HydrophobicContact CG-CD1 3.82Å; D119-I143 HydrophobicContact CB-CD1 3.56Å; D119-I143 HydrophobicContact CB-CG1 3.73Å; C139-I143 HydrophobicContact CB-CG1 3.98Å; C139-I143 WeakPolarHBondContact O-CB 3.14Å; C139-I143 WeakPolarHBondContact O-CG1 3.22Å; C139-I143 PolarHBondContact O-N 3.08Å; S140-I143 PolarHBondContact O-N 2.89Å; I143-A145 VanDerWaalsContact C-N 3.31Å; I143-A145 PolarHBondContact O-N 3.33Å; I143-H146 PolarHBondContact O-N 2.83Å; I143-V147 HydrophobicContact CG2-CG2 3.97Å; I143-V147 WeakPolarHBondContact O-CB 3.44Å; I143-V147 VanDerWaalsContact O-CG2 3.23Å; I143-V147 WeakPolarHBondContact O-CG2 3.3Å; I143-V147 PolarHBondContact O-N 2.77Å
144	I	97.8	Very high	96.9	Very high	60 Å²	60	40.5 Å²	40.5	31%	0.308	24%	0.237	S	C	.	.	H	α-helix	trans	-56.6	-49	173.3	-69.5	165.7	0	0	0	110	L76 S140 T148 V165	L76-I144 HydrophobicContact CD1-CD1 3.93Å; L76-I144 HydrophobicContact CD1-CG1 4.07Å; L76-I144 HydrophobicContact CD2-CD1 4.27Å; L76-I144 HydrophobicContact CD2-CG1 3.77Å; S140-I144 WeakPolarHBondContact O-CB 3.44Å; S140-I144 VanDerWaalsContact O-CG1 3.25Å; S140-I144 WeakPolarHBondContact O-CG1 3.45Å; S140-I144 PolarHBondContact O-N 2.71Å; I144-T148 WeakPolarHBondContact O-CB 3.43Å; I144-T148 PolarHBondContact O-N 3.1Å; I144-T148 PolarHBondContact O-OG1 2.86Å; I144-V165 HydrophobicContact CD1-CG2 4.31Å; I144-V165 HydrophobicContact CG1-CG2 4.25Å
145	A	97.8	Very high	96.9	Very high	61 Å²	61	43.5 Å²	43.5	50%	0.504	26%	0.255	S	S	.	.	H	α-helix	trans	-59.7	-49.7	179.2	0	0	0	0	0	112	S141 K142 I143 T148 E149	S141-A145 WeakPolarHBondContact O-CB 3.37Å; S141-A145 PolarHBondContact O-N 2.94Å; K142-A145 PolarHBondContact O-N 3.43Å; I143-A145 VanDerWaalsContact C-N 3.31Å; I143-A145 PolarHBondContact O-N 3.33Å; A145-T148 PolarHBondContact O-N 2.95Å; A145-E149 WeakPolarHBondContact O-CB 3.48Å; A145-E149 PolarHBondContact O-N 3.37Å
146	H	97.4	Very high	96.8	Very high	36 Å²	36	49.5 Å²	49.5	17%	0.167	29%	0.287	C	S	.	.	H	α-helix	trans	-63	-51.5	-178.1	-178.4	63.8	0	0	0	112.3	L118 K142 I143 T148 E149 M150	L118-H146 HydrophobicContact CD2-CB 3.93Å; K142-H146 VanDerWaalsContact O-CB 3.24Å; K142-H146 WeakPolarHBondContact O-CB 3.41Å; K142-H146 PolarHBondContact O-N 2.91Å; I143-H146 PolarHBondContact O-N 2.83Å; H146-T148 VanDerWaalsContact C-N 3.31Å; H146-T148 PolarHBondContact O-N 3.15Å; H146-E149 PolarHBondContact O-N 3.17Å; H146-M150 VanDerWaalsContact O-CG 3.3Å; H146-M150 WeakPolarHBondContact O-CG 3.19Å; H146-M150 PolarHBondContact O-N 3.49Å
147	V	97.7	Very high	96.8	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-67.4	-35	-177.6	-171.8	0	0	0	0	110.2	F88 L92 F110 I143 M150 M151 I163	F88-V147 HydrophobicContact CE1-CG1 3.69Å; F88-V147 HydrophobicContact CZ-CG1 3.69Å; L92-V147 HydrophobicContact CD1-CG1 4.11Å; L92-V147 HydrophobicContact CD1-CG2 4.2Å; F110-V147 HydrophobicContact CE1-CG2 3.97Å; F110-V147 HydrophobicContact CZ-CG2 4.02Å; I143-V147 HydrophobicContact CG2-CG2 3.97Å; I143-V147 WeakPolarHBondContact O-CB 3.44Å; I143-V147 VanDerWaalsContact O-CG2 3.23Å; I143-V147 WeakPolarHBondContact O-CG2 3.3Å; I143-V147 PolarHBondContact O-N 2.77Å; V147-M150 PolarHBondContact O-N 2.79Å; V147-M151 VanDerWaalsContact O-CB 3.28Å; V147-M151 WeakPolarHBondContact O-CB 3.35Å; V147-M151 PolarHBondContact O-N 3.34Å; V147-I163 HydrophobicContact CB-CD1 4.19Å; V147-I163 HydrophobicContact CG1-CD1 3.31Å; V147-I163 HydrophobicContact CG1-CG1 4.29Å
148	T	97.6	Very high	97	Very high	56 Å²	56	57 Å²	57	34%	0.344	34%	0.34	S	S	.	.	H	α-helix	trans	-67.1	-41.5	174.6	-57.3	0	0	0	0	112.5	I144 A145 H146 M151 T152	I144-T148 WeakPolarHBondContact O-CB 3.43Å; I144-T148 PolarHBondContact O-N 3.1Å; I144-T148 PolarHBondContact O-OG1 2.86Å; A145-T148 PolarHBondContact O-N 2.95Å; H146-T148 VanDerWaalsContact C-N 3.31Å; H146-T148 PolarHBondContact O-N 3.15Å; T148-M151 HydrophobicContact CG2-CE 4.39Å; T148-M151 PolarHBondContact O-N 2.79Å; T148-T152 WeakPolarHBondContact O-CB 3.47Å; T148-T152 PolarHBondContact O-N 3.14Å; T148-T152 PolarHBondContact O-OG1 2.99Å
149	E	97.6	Very high	97.3	Very high	96 Å²	96	57.1 Å²	57.1	45%	0.449	33%	0.328	S	S	.	.	H	α-helix	trans	-60.6	-47.5	175.5	-171.2	-162.2	153.6	0	0	110.4	A145 H146 T152 K153	A145-E149 WeakPolarHBondContact O-CB 3.48Å; A145-E149 PolarHBondContact O-N 3.37Å; H146-E149 PolarHBondContact O-N 3.17Å; E149-T152 PolarHBondContact O-N 3.03Å; E149-K153 WeakPolarHBondContact O-CG 3.37Å; E149-K153 PolarHBondContact O-N 3.34Å; E149-K153 VanDerWaalsContact OE1-CE 3.23Å; E149-K153 WeakPolarHBondContact OE1-CE 3.4Å; E149-K153 IonicContact OE1-NZ 2.67Å; E149-K153 PolarHBondContact OE1-NZ 2.97Å
150	M	97.4	Very high	97.4	Very high	44 Å²	44	62 Å²	62	22%	0.217	35%	0.351	C	S	.	.	H	α-helix	trans	-68.3	-36.3	-179.8	-63	-60.5	108.6	0	0	112.2	F88 L92 H146 V147 K153 G154	F88-M150 HydrophobicContact CE2-CB 3.79Å; F88-M150 HydrophobicContact CZ-CB 4.25Å; L92-M150 HydrophobicContact CD1-CB 4.5Å; L92-M150 HydrophobicContact CD2-CB 3.78Å; L92-M150 HydrophobicContact CD2-CG 3.54Å; L92-M150 HydrophobicContact CD2-SD 4.46Å; H146-M150 VanDerWaalsContact O-CG 3.3Å; H146-M150 WeakPolarHBondContact O-CG 3.19Å; H146-M150 PolarHBondContact O-N 3.49Å; V147-M150 PolarHBondContact O-N 2.79Å; M150-K153 HydrophobicContact CE-CD 3.9Å; M150-K153 PolarHBondContact O-N 3.19Å; M150-K153 HydrophobicContact SD-CD 4.44Å; M150-G154 PolarHBondContact O-N 3.03Å
151	M	97.8	Very high	97.5	Very high	35 Å²	35	61.7 Å²	61.7	17%	0.172	35%	0.347	C	S	.	.	H	α-helix	trans	-61.9	-48.3	172.8	178.9	-169.2	71.1	0	0	110.6	F88 V147 T148 K153 G154 V155 I161 I163	F88-M151 HydrophobicContact CE2-CB 4.34Å; F88-M151 HydrophobicContact CZ-CB 4.04Å; V147-M151 VanDerWaalsContact O-CB 3.28Å; V147-M151 WeakPolarHBondContact O-CB 3.35Å; V147-M151 PolarHBondContact O-N 3.34Å; T148-M151 HydrophobicContact CG2-CE 4.39Å; T148-M151 PolarHBondContact O-N 2.79Å; M151-K153 VanDerWaalsContact C-N 3.31Å; M151-K153 PolarHBondContact O-N 3.24Å; M151-G154 PolarHBondContact O-N 3.29Å; M151-G154 VanDerWaalsContact O-N 3.11Å; M151-V155 HydrophobicContact CG-CG2 4.24Å; M151-V155 WeakPolarHBondContact O-CG2 3.38Å; M151-V155 PolarHBondContact O-N 2.93Å; M151-I161 HydrophobicContact CG-CB 4.15Å; M151-I161 HydrophobicContact CG-CG2 3.88Å; M151-I163 HydrophobicContact CB-CD1 3.6Å; M151-I163 HydrophobicContact CB-CG1 4.5Å; M151-I163 HydrophobicContact CG-CD1 4Å; M151-I163 HydrophobicContact CG-CG1 4.4Å; M151-I163 HydrophobicContact SD-CB 3.96Å; M151-I163 HydrophobicContact SD-CD1 3.57Å; M151-I163 VanDerWaalsContact SD-CD1 3.57Å; M151-I163 HydrophobicContact SD-CG1 3.63Å
152	T	98	Very high	97.7	Very high	68 Å²	68	61.2 Å²	61.2	42%	0.417	34%	0.337	S	S	.	.	H	α-helix	trans	-57.3	-45.5	178.4	-57.2	0	0	0	0	111.1	T148 E149 V155 N156	T148-T152 WeakPolarHBondContact O-CB 3.47Å; T148-T152 PolarHBondContact O-N 3.14Å; T148-T152 PolarHBondContact O-OG1 2.99Å; E149-T152 PolarHBondContact O-N 3.03Å; T152-V155 PolarHBondContact O-N 3.49Å; T152-N156 WeakPolarHBondContact O-CB 3.42Å; T152-N156 PolarHBondContact O-N 2.89Å; T152-N156 PolarHBondContact O-ND2 3.13Å
153	K	97.3	Very high	97.7	Very high	102 Å²	102	59.7 Å²	59.7	44%	0.443	33%	0.332	S	S	.	.	H	α-helix	trans	-59.3	-48.3	174.1	-70.8	178.9	-172.3	173.7	0	111.6	E149 M150 M151 V155 N156 D157	E149-K153 WeakPolarHBondContact O-CG 3.37Å; E149-K153 PolarHBondContact O-N 3.34Å; E149-K153 VanDerWaalsContact OE1-CE 3.23Å; E149-K153 WeakPolarHBondContact OE1-CE 3.4Å; E149-K153 IonicContact OE1-NZ 2.67Å; E149-K153 PolarHBondContact OE1-NZ 2.97Å; M150-K153 HydrophobicContact CE-CD 3.9Å; M150-K153 PolarHBondContact O-N 3.19Å; M150-K153 HydrophobicContact SD-CD 4.44Å; M151-K153 VanDerWaalsContact C-N 3.31Å; M151-K153 PolarHBondContact O-N 3.24Å; K153-V155 PolarHBondContact O-N 2.74Å; K153-N156 PolarHBondContact O-N 3.2Å; K153-D157 PolarHBondContact O-N 2.8Å
154	G	97.5	Very high	97.7	Very high	4 Å²	4	65.1 Å²	65.1	4%	0.041	36%	0.355	C	S	.	.	H	α-helix	trans	-59.6	-43.8	178.4	0	0	0	0	0	113.3	M150 M151 D157 G158 K159	M150-G154 PolarHBondContact O-N 3.03Å; M151-G154 PolarHBondContact O-N 3.29Å; M151-G154 VanDerWaalsContact O-N 3.11Å; G154-D157 CarbonylContact O-C 3.48Å; G154-D157 PolarHBondContact O-N 2.74Å; G154-G158 PolarHBondContact O-N 2.88Å; G154-K159 WeakPolarHBondContact O-CB 3.29Å; G154-K159 WeakPolarHBondContact O-CG 3.49Å; G154-K159 PolarHBondContact O-N 2.95Å
155	V	97.8	Very high	97.6	Very high	69 Å²	69	65.8 Å²	65.8	42%	0.418	36%	0.362	S	S	.	.	H	α-helix	trans	-64.3	-41.4	177.4	170.6	0	0	0	0	111.1	M151 T152 K153 D157 G158 K159	M151-V155 HydrophobicContact CG-CG2 4.24Å; M151-V155 WeakPolarHBondContact O-CG2 3.38Å; M151-V155 PolarHBondContact O-N 2.93Å; T152-V155 PolarHBondContact O-N 3.49Å; K153-V155 PolarHBondContact O-N 2.74Å; V155-D157 PolarHBondContact O-N 3.12Å; V155-G158 PolarHBondContact O-N 3.08Å; V155-K159 WeakPolarHBondContact CA-O 3.24Å
156	N	97.7	Very high	97.6	Very high	127 Å²	127	63.8 Å²	63.8	68%	0.679	34%	0.343	S	S	*	.	H	α-helix	trans	-62.9	-31.4	174.2	-69	-17.2	0	0	0	112.5	T152 K153 G158	T152-N156 WeakPolarHBondContact O-CB 3.42Å; T152-N156 PolarHBondContact O-N 2.89Å; T152-N156 PolarHBondContact O-ND2 3.13Å; K153-N156 PolarHBondContact O-N 3.2Å; N156-G158 PolarHBondContact O-N 2.91Å
157	D	97.1	Very high	97.3	Very high	132 Å²	132	68.5 Å²	68.5	71%	0.706	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	8.3	173.6	-64.7	-18.1	0	0	0	113.1	K153 G154 V155	K153-D157 PolarHBondContact O-N 2.8Å; G154-D157 CarbonylContact O-C 3.48Å; G154-D157 PolarHBondContact O-N 2.74Å; V155-D157 PolarHBondContact O-N 3.12Å
158	G	97.8	Very high	97.3	Very high	62 Å²	62	70 Å²	70	64%	0.639	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	85	10.8	176.1	0	0	0	0	0	115.5	G154 V155 N156	G154-G158 PolarHBondContact O-N 2.88Å; V155-G158 PolarHBondContact O-N 3.08Å; N156-G158 PolarHBondContact O-N 2.91Å
159	K	97.7	Very high	97.3	Very high	71 Å²	71	67.3 Å²	67.3	31%	0.309	36%	0.36	S	S	.	.			trans	-76.1	147.5	172.8	-58.4	-176.8	-178.9	176.9	0	111.1	D84 G154 V155 I161	D84-K159 HydrophobicContact CB-CB 4Å; D84-K159 HydrophobicContact CB-CG 4.49Å; D84-K159 WeakPolarHBondContact OD2-CA 3.49Å; G154-K159 WeakPolarHBondContact O-CB 3.29Å; G154-K159 WeakPolarHBondContact O-CG 3.49Å; G154-K159 PolarHBondContact O-N 2.95Å; V155-K159 WeakPolarHBondContact CA-O 3.24Å; K159-I161 HydrophobicContact CB-CD1 3.64Å; K159-I161 HydrophobicContact CB-CG1 4.06Å; K159-I161 HydrophobicContact CD-CD1 3.88Å; K159-I161 HydrophobicContact CG-CD1 4.43Å
160	E	98.2	Very high	97.4	Very high	103 Å²	103	62.9 Å²	62.9	48%	0.481	34%	0.339	S	S	.	.			trans	-101.9	97.2	175.6	-170.4	-169.6	138.4	0	0	109.5	G82 K83 D84	G82-E160 CarbonylContact C-O 3.46Å; G82-E160 VanDerWaalsContact CA-O 3.29Å; G82-E160 WeakPolarHBondContact CA-O 3.31Å; K83-E160 HydrophobicContact CD-CB 4.22Å; K83-E160 WeakPolarHBondContact CD-OE2 3.31Å; K83-E160 HydrophobicContact CG-CB 4.09Å; K83-E160 PolarHBondContact N-O 3.33Å; K83-E160 IonicContact NZ-OE2 3.45Å; K83-E160 PolarHBondContact NZ-OE2 3.42Å; D84-E160 PolarHBondContact N-O 3.15Å; D84-E160 PolarHBondContact OD2-N 2.9Å
161	I	98.1	Very high	97.4	Very high	13 Å²	13	60.8 Å²	60.8	7%	0.067	33%	0.329	C	S	.	.			trans	-136.5	135.8	-176.4	-54.6	155.3	0	0	0	107.8	V80 S81 D84 F88 M151 K159	V80-I161 HydrophobicContact CG1-CG2 4.13Å; S81-I161 WeakPolarHBondContact O-CA 3.45Å; D84-I161 HydrophobicContact CB-CD1 4.44Å; D84-I161 HydrophobicContact CB-CG1 3.88Å; F88-I161 HydrophobicContact CB-CD1 3.73Å; F88-I161 HydrophobicContact CB-CG1 4.04Å; F88-I161 HydrophobicContact CB-CG2 4.45Å; F88-I161 HydrophobicContact CD1-CG2 3.75Å; F88-I161 HydrophobicContact CD2-CD1 3.57Å; F88-I161 HydrophobicContact CD2-CG2 4.44Å; F88-I161 HydrophobicContact CE1-CG2 4.02Å; F88-I161 HydrophobicContact CE2-CD1 4.33Å; F88-I161 HydrophobicContact CG-CD1 3.72Å; F88-I161 HydrophobicContact CG-CG1 4.22Å; F88-I161 HydrophobicContact CG-CG2 3.95Å; F88-I161 HydrophobicContact CZ-CG2 4.47Å; M151-I161 HydrophobicContact CG-CB 4.15Å; M151-I161 HydrophobicContact CG-CG2 3.88Å; K159-I161 HydrophobicContact CB-CD1 3.64Å; K159-I161 HydrophobicContact CB-CG1 4.06Å; K159-I161 HydrophobicContact CD-CD1 3.88Å; K159-I161 HydrophobicContact CG-CD1 4.43Å
162	N	98	Very high	97.5	Very high	87 Å²	87	59.1 Å²	59.1	47%	0.465	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	143.3	170.2	173.1	66.9	0	0	0	109.9	V80 S81	V80-N162 CarbonylContact C-O 3.36Å; V80-N162 WeakPolarHBondContact CA-O 3.42Å; S81-N162 PolarHBondContact N-O 3.41Å; S81-N162 PolarHBondContact O-N 3.31Å; S81-N162 PolarHBondContact OG-ND2 2.74Å
163	I	98	Very high	97.5	Very high	27 Å²	27	55.9 Å²	55.9	14%	0.138	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	128.3	178.6	-60.4	162.5	0	0	0	108.6	M78 Q79 V80 F88 V147 M151	M78-I163 HydrophobicContact SD-CG2 4.28Å; Q79-I163 WeakPolarHBondContact O-CA 3.32Å; V80-I163 HydrophobicContact CG1-CG1 4.49Å; V80-I163 HydrophobicContact CG2-CG1 4.25Å; F88-I163 HydrophobicContact CE1-CD1 4.17Å; F88-I163 HydrophobicContact CZ-CD1 4.23Å; V147-I163 HydrophobicContact CB-CD1 4.19Å; V147-I163 HydrophobicContact CG1-CD1 3.31Å; V147-I163 HydrophobicContact CG1-CG1 4.29Å; M151-I163 HydrophobicContact CB-CD1 3.6Å; M151-I163 HydrophobicContact CB-CG1 4.5Å; M151-I163 HydrophobicContact CG-CD1 4Å; M151-I163 HydrophobicContact CG-CG1 4.4Å; M151-I163 HydrophobicContact SD-CB 3.96Å; M151-I163 HydrophobicContact SD-CD1 3.57Å; M151-I163 VanDerWaalsContact SD-CD1 3.57Å; M151-I163 HydrophobicContact SD-CG1 3.63Å
164	K	97.1	Very high	97.6	Very high	115 Å²	115	51 Å²	51	50%	0.5	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	119.3	173	-179.5	-175.4	175.8	-173.9	0	108.9	M78 Q79 L166	M78-K164 CarbonylContact C-O 3.49Å; M78-K164 VanDerWaalsContact CA-O 3.3Å; M78-K164 WeakPolarHBondContact CA-O 3.23Å; Q79-K164 HydrophobicContact CB-CB 4.37Å; Q79-K164 PolarHBondContact N-O 2.9Å; Q79-K164 PolarHBondContact O-N 3.39Å; K164-L166 HydrophobicContact CD-CD2 4.03Å; K164-L166 HydrophobicContact CG-CD2 4.19Å
165	V	97	Very high	97.7	Very high	73 Å²	73	50.9 Å²	50.9	44%	0.442	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	129.5	166.4	179.4	0	0	0	0	108.1	L76 M78 I144	L76-V165 HydrophobicContact CD1-CG1 3.76Å; L76-V165 HydrophobicContact CD1-CG2 4.38Å; M78-V165 HydrophobicContact CG-CG2 4.21Å; I144-V165 HydrophobicContact CD1-CG2 4.31Å; I144-V165 HydrophobicContact CG1-CG2 4.25Å
166	L	95.8	Very high	97.7	Very high	19 Å²	19	50.2 Å²	50.2	10%	0.099	28%	0.275	C	S	.	.			trans	-87.9	140.4	-178.9	-59.3	-175.4	0	0	0	111.2	Q77 Q79 Y132 K164 H168	Q77-L166 HydrophobicContact CB-CB 4.03Å; Q77-L166 HydrophobicContact CB-CD1 4.33Å; Q77-L166 HydrophobicContact CB-CG 4.47Å; Q77-L166 PolarHBondContact O-N 2.85Å; Q79-L166 HydrophobicContact CG-CD1 4.12Å; Q79-L166 HydrophobicContact CG-CD2 4.03Å; Q79-L166 HydrophobicContact CG-CG 4.27Å; Y132-L166 HydrophobicContact CD2-CD1 4.18Å; Y132-L166 HydrophobicContact CE2-CD1 3.84Å; K164-L166 HydrophobicContact CD-CD2 4.03Å; K164-L166 HydrophobicContact CG-CD2 4.19Å; L166-H168 VanDerWaalsContact C-N 3.26Å; L166-H168 HydrophobicContact CB-CB 4.38Å; L166-H168 PolarHBondContact O-N 2.83Å
167	N	92.2	Very high	97.8	Very high	135 Å²	135	46.2 Å²	46.2	72%	0.722	25%	0.254	S	S	*	.			trans	-94.8	46.2	170.6	-169.2	32.4	0	0	0	111.4	S237	N167-S237 PolarHBondContact O-OG 3.12Å
168	H	97.3	Very high	97.8	Very high	31 Å²	31	40 Å²	40	14%	0.144	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	151.5	-178.8	-77.9	-151.5	0	0	0	110.6	Q77 L166 D217 S234 V235	Q77-H168 PolarHBondContact NE2-O 3.49Å; L166-H168 VanDerWaalsContact C-N 3.26Å; L166-H168 HydrophobicContact CB-CB 4.38Å; L166-H168 PolarHBondContact O-N 2.83Å; H168-D217 PolarHBondContact CE1-O 3.24Å; H168-S234 PolarHBondContact ND1-OG 3.12Å; H168-S234 VanDerWaalsContact ND1-OG 3.1Å; H168-V235 CarbonylContact C-O 3.56Å; H168-V235 WeakPolarHBondContact CA-O 3.17Å; H168-V235 VanDerWaalsContact CB-O 3.28Å; H168-V235 WeakPolarHBondContact CB-O 3.32Å
169	S	98.4	Very high	97.9	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	154.2	161.3	-63.5	0	0	0	0	109.7	P27 S73 S234 V235 S237 A240	P27-S169 WeakPolarHBondContact CB-OG 3.34Å; P27-S169 VanDerWaalsContact CG-OG 3.31Å; P27-S169 WeakPolarHBondContact CG-OG 3.43Å; S73-S169 WeakPolarHBondContact OG-CA 3.41Å; S73-S169 WeakPolarHBondContact OG-CB 3.31Å; S169-S234 WeakPolarHBondContact O-CA 3.33Å; S169-V235 PolarHBondContact N-O 3.3Å; S169-V235 PolarHBondContact O-N 2.98Å; S169-S237 PolarHBondContact N-OG 3.32Å; S169-S237 PolarHBondContact OG-OG 2.99Å; S169-A240 VanDerWaalsContact CB-CB 3.47Å; S169-A240 WeakPolarHBondContact OG-CB 3.41Å
170	L	98.8	Very high	97.9	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.016	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	117	177.5	-168	67.8	0	0	0	108.7	V72 S73 M75 V134 E232	V72-L170 CarbonylContact C-O 3.59Å; V72-L170 VanDerWaalsContact C-O 3.3Å; V72-L170 WeakPolarHBondContact CA-O 3.4Å; V72-L170 HydrophobicContact CG2-CB 3.91Å; V72-L170 HydrophobicContact CG2-CD2 3.74Å; V72-L170 HydrophobicContact CG2-CG 3.6Å; V72-L170 WeakPolarHBondContact CG2-O 3.39Å; V72-L170 PolarHBondContact N-O 2.86Å; S73-L170 PolarHBondContact N-O 2.97Å; S73-L170 VanDerWaalsContact N-O 3.13Å; S73-L170 PolarHBondContact OG-N 2.58Å; S73-L170 PolarHBondContact OG-O 2.79Å; M75-L170 HydrophobicContact CB-CD2 4.31Å; V134-L170 HydrophobicContact CG1-CD2 3.94Å; L170-E232 HydrophobicContact CD1-CB 4.25Å
171	L	98.8	Very high	97.9	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	137.5	176.4	-59.5	176.9	0	0	0	108.9	L28 L69 F70 E232 I233 I243 A244	L28-L171 HydrophobicContact CD1-CD2 3.62Å; L28-L171 HydrophobicContact CD2-CD2 3.88Å; L28-L171 HydrophobicContact CG-CD2 4.42Å; L69-L171 HydrophobicContact CD1-CB 4.03Å; F70-L171 WeakPolarHBondContact O-CA 3.49Å; L171-E232 CarbonylContact O-C 3.56Å; L171-E232 VanDerWaalsContact O-CA 3.32Å; L171-E232 WeakPolarHBondContact O-CA 3.17Å; L171-I233 HydrophobicContact CB-CB 4.34Å; L171-I233 PolarHBondContact N-O 3.12Å; L171-I233 PolarHBondContact O-N 3.04Å; L171-I243 HydrophobicContact CD1-CB 4.5Å; L171-I243 HydrophobicContact CD1-CG2 3.85Å; L171-A244 HydrophobicContact CD1-CB 4.39Å
172	A	98.9	Very high	97.9	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	116.9	170.7	0	0	0	0	0	109.7	L69 F70 V72 Q174 Y231 E232	L69-A172 CarbonylContact C-O 3.49Å; L69-A172 WeakPolarHBondContact CA-O 3.47Å; F70-A172 HydrophobicContact CB-CB 4.22Å; F70-A172 WeakPolarHBondContact CD2-O 3.45Å; F70-A172 PolarHBondContact N-O 3.03Å; F70-A172 PolarHBondContact O-N 3.33Å; V72-A172 HydrophobicContact CG2-CB 4.16Å; A172-Q174 HydrophobicContact CB-CG 4.09Å; A172-Y231 CarbonylContact C-O 3.48Å; A172-Y231 WeakPolarHBondContact CA-O 3.41Å; A172-E232 HydrophobicContact CB-CG 4.02Å
173	L	98.9	Very high	97.9	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	114.5	173	-174.3	72.3	0	0	0	108.5	C67 G68 L69 A178 V181 L182 G230 Y231 I233 L247 V253	C67-L173 HydrophobicContact CB-CD1 4.32Å; G68-L173 WeakPolarHBondContact O-CA 3.34Å; L69-L173 HydrophobicContact CB-CD1 4.43Å; L69-L173 HydrophobicContact CD1-CD1 4.46Å; L173-A178 HydrophobicContact CD2-CB 4.2Å; L173-A178 HydrophobicContact CG-CB 4.02Å; L173-V181 HydrophobicContact CD2-CB 4.13Å; L173-V181 HydrophobicContact CD2-CG1 3.8Å; L173-L182 HydrophobicContact CD2-CB 4.12Å; L173-G230 CarbonylContact O-C 3.53Å; L173-G230 WeakPolarHBondContact O-CA 3.29Å; L173-Y231 PolarHBondContact N-O 3.48Å; L173-Y231 PolarHBondContact O-N 2.75Å; L173-I233 HydrophobicContact CB-CD1 4.47Å; L173-L247 HydrophobicContact CD2-CD2 4.03Å; L173-V253 HydrophobicContact CD1-CG1 4.06Å; L173-V253 HydrophobicContact CD1-CG2 4.36Å
174	Q	98.9	Very high	97.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	136.4	-164.6	-56.7	-74.3	-66.2	0	0	110.9	V63 C67 G68 F70 A172 C223 T226 Y231	V63-Q174 HydrophobicContact CG1-CB 4.37Å; C67-Q174 CarbonylContact C-O 3.52Å; C67-Q174 WeakPolarHBondContact CA-O 3.32Å; C67-Q174 WeakPolarHBondContact CB-O 3.23Å; G68-Q174 PolarHBondContact N-O 3.46Å; G68-Q174 PolarHBondContact O-N 3.35Å; F70-Q174 HydrophobicContact CD2-CB 4.39Å; F70-Q174 HydrophobicContact CD2-CG 4.05Å; F70-Q174 HydrophobicContact CE2-CB 3.98Å; F70-Q174 HydrophobicContact CE2-CG 4.06Å; A172-Q174 HydrophobicContact CB-CG 4.09Å; Q174-C223 PolarHBondContact NE2-O 2.91Å; Q174-T226 HydrophobicContact CB-CG2 3.67Å; Q174-T226 HydrophobicContact CG-CG2 3.74Å; Q174-T226 PolarHBondContact OE1-OG1 2.77Å; Q174-Y231 PolarHBondContact NE2-O 3.04Å
175	G	98.7	Very high	97.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	129.2	166.5	-179.9	0	0	0	0	0	112.5	V63 H66 D177 A178 D229	V63-G175 VanDerWaalsContact O-CA 3.3Å; V63-G175 WeakPolarHBondContact O-CA 3.21Å; H66-G175 CarbonylContact O-C 3.58Å; H66-G175 WeakPolarHBondContact O-CA 3.25Å; G175-D177 PolarHBondContact O-N 3Å; G175-D177 VanDerWaalsContact O-N 3.15Å; G175-A178 WeakPolarHBondContact O-CB 3.27Å; G175-A178 PolarHBondContact O-N 3.26Å; G175-D229 PolarHBondContact N-O 2.87Å
176	P	98.4	Very high	98	Very high	56 Å²	56	30.6 Å²	30.6	36%	0.364	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-30	-176.6	22.4	-36.4	0	0	0	114.9	V63 Q65 H66 A178	V63-P176 WeakPolarHBondContact O-CD 3.47Å; Q65-P176 VanDerWaalsContact C-CG 3.48Å; Q65-P176 WeakPolarHBondContact O-CG 3.47Å; H66-P176 WeakPolarHBondContact O-CD 3.37Å; H66-P176 WeakPolarHBondContact O-CG 3.16Å; H66-P176 VanDerWaalsContact O-N 3.09Å; P176-A178 VanDerWaalsContact C-N 3.32Å
177	D	98.7	Very high	98	Very high	43 Å²	43	30.7 Å²	30.7	23%	0.23	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-7	-180	-70.4	-16.2	0	0	0	113	H66 C67 G175 Y179 S180 V181 S252	H66-D177 WeakPolarHBondContact CA-OD2 3.28Å; H66-D177 IonicContact CG-OD2 2.78Å; H66-D177 IonicContact ND1-OD2 2.91Å; H66-D177 PolarHBondContact ND1-OD2 2.91Å; H66-D177 VanDerWaalsContact ND1-OD2 3.11Å; H66-D177 PolarHBondContact O-N 3.38Å; C67-D177 HydrophobicContact CB-CB 4.27Å; G175-D177 PolarHBondContact O-N 3Å; G175-D177 VanDerWaalsContact O-N 3.15Å; D177-Y179 VanDerWaalsContact C-N 3.32Å; D177-Y179 PolarHBondContact O-N 2.93Å; D177-S180 PolarHBondContact O-N 2.87Å; D177-S180 VanDerWaalsContact O-N 3.16Å; D177-V181 HydrophobicContact CB-CG2 4.4Å; D177-V181 WeakPolarHBondContact O-CG2 3.09Å; D177-V181 PolarHBondContact O-N 3.32Å; D177-S252 VanDerWaalsContact OD2-CB 3.24Å; D177-S252 WeakPolarHBondContact OD2-CB 3.41Å; D177-S252 PolarHBondContact OD2-OG 3.38Å
178	A	98.7	Very high	98.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-59.3	-38.8	-171.4	0	0	0	0	0	113.1	C67 L173 G175 P176 L182 Y231	C67-A178 HydrophobicContact CB-CB 4.22Å; L173-A178 HydrophobicContact CD2-CB 4.2Å; L173-A178 HydrophobicContact CG-CB 4.02Å; G175-A178 WeakPolarHBondContact O-CB 3.27Å; G175-A178 PolarHBondContact O-N 3.26Å; P176-A178 VanDerWaalsContact C-N 3.32Å; A178-L182 VanDerWaalsContact O-CB 3.23Å; A178-L182 WeakPolarHBondContact O-CB 3.5Å; A178-L182 PolarHBondContact O-N 2.95Å; A178-Y231 HydrophobicContact CB-CD2 4.3Å
179	Y	98.4	Very high	98.2	Very high	63 Å²	63	32 Å²	32	25%	0.247	20%	0.197	C	C	.	.	H	α-helix	trans	-59.1	-55	174.9	171.4	-92	0	0	0	111.5	D177 V181 L182 R183 F194 E195 Y231	D177-Y179 VanDerWaalsContact C-N 3.32Å; D177-Y179 PolarHBondContact O-N 2.93Å; Y179-V181 PolarHBondContact O-N 3.42Å; Y179-L182 PolarHBondContact O-N 3.09Å; Y179-R183 WeakPolarHBondContact O-CB 3.43Å; Y179-R183 PolarHBondContact O-N 3.4Å; Y179-F194 AromaticContact CD2-CE1 3.92Å; Y179-F194 HydrophobicContact CD2-CE1 3.92Å; Y179-F194 HydrophobicContact CD2-CZ 4.09Å; Y179-F194 HydrophobicContact CE2-CD1 4.37Å; Y179-F194 AromaticContact CE2-CE1 3.66Å; Y179-F194 HydrophobicContact CE2-CE1 3.66Å; Y179-F194 HydrophobicContact CE2-CZ 4.29Å; Y179-E195 WeakPolarHBondContact OH-CG 3.12Å; Y179-Y231 WeakPolarHBondContact CD2-OH 3.48Å
180	S	98.2	Very high	98.1	Very high	78 Å²	78	32.6 Å²	32.6	55%	0.545	20%	0.2	S	C	.	.	H	α-helix	trans	-64.6	-41	-175.6	-61.7	0	0	0	0	111.8	D177 A184	D177-S180 PolarHBondContact O-N 2.87Å; D177-S180 VanDerWaalsContact O-N 3.16Å; S180-A184 PolarHBondContact O-N 3.33Å
181	V	98.5	Very high	98.1	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.018	21%	0.209	C	C	.	.	H	α-helix	trans	-61.4	-52.4	175.1	170.2	0	0	0	0	110	L173 D177 Y179 R183 A184 Y209 L247 V253	L173-V181 HydrophobicContact CD2-CB 4.13Å; L173-V181 HydrophobicContact CD2-CG1 3.8Å; D177-V181 HydrophobicContact CB-CG2 4.4Å; D177-V181 WeakPolarHBondContact O-CG2 3.09Å; D177-V181 PolarHBondContact O-N 3.32Å; Y179-V181 PolarHBondContact O-N 3.42Å; V181-R183 PolarHBondContact O-N 2.91Å; V181-A184 PolarHBondContact O-N 3.4Å; V181-Y209 PolarHBondContact O-OH 3.28Å; V181-L247 HydrophobicContact CG1-CD2 3.7Å; V181-V253 HydrophobicContact CB-CG2 4.31Å; V181-V253 HydrophobicContact CG1-CG2 3.56Å; V181-V253 HydrophobicContact CG2-CG2 3.83Å
182	L	98.2	Very high	98	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-67.1	-41.7	-175.3	-167.3	60	0	0	0	111.6	L173 A178 Y179 A184 G185 I186 F194 L208 L220 Y231 I233	L173-L182 HydrophobicContact CD2-CB 4.12Å; A178-L182 VanDerWaalsContact O-CB 3.23Å; A178-L182 WeakPolarHBondContact O-CB 3.5Å; A178-L182 PolarHBondContact O-N 2.95Å; Y179-L182 PolarHBondContact O-N 3.09Å; L182-A184 PolarHBondContact O-N 2.74Å; L182-A184 VanDerWaalsContact O-N 3.15Å; L182-G185 PolarHBondContact O-N 3.41Å; L182-I186 HydrophobicContact CG-CD1 4.3Å; L182-I186 WeakPolarHBondContact O-CG1 3.36Å; L182-I186 PolarHBondContact O-N 3.45Å; L182-F194 HydrophobicContact CB-CE2 4.3Å; L182-F194 HydrophobicContact CB-CZ 4.11Å; L182-F194 HydrophobicContact CD2-CE2 3.79Å; L182-F194 HydrophobicContact CD2-CZ 4.39Å; L182-F194 HydrophobicContact CG-CE2 3.98Å; L182-F194 HydrophobicContact CG-CZ 4.28Å; L182-L208 HydrophobicContact CD1-CD1 3.73Å; L182-L208 HydrophobicContact CD1-CD2 4.18Å; L182-L220 HydrophobicContact CD2-CD1 4.1Å; L182-L220 HydrophobicContact CD2-CD2 4.12Å; L182-Y231 HydrophobicContact CD2-CD1 3.68Å; L182-Y231 HydrophobicContact CD2-CD2 3.63Å; L182-Y231 HydrophobicContact CD2-CE1 4.24Å; L182-Y231 HydrophobicContact CD2-CE2 4.24Å; L182-Y231 HydrophobicContact CD2-CG 3.34Å; L182-I233 HydrophobicContact CD1-CD1 3.71Å; L182-I233 HydrophobicContact CD2-CD1 4.49Å
183	R	98.1	Very high	97.9	Very high	110 Å²	110	45.2 Å²	45.2	42%	0.415	26%	0.262	S	S	.	.	H	α-helix	trans	-50.2	-39.3	177.1	-169.6	-179.9	176.9	-87	-1	112.8	Y179 V181 G185 I186 I191 F194 E195	Y179-R183 WeakPolarHBondContact O-CB 3.43Å; Y179-R183 PolarHBondContact O-N 3.4Å; V181-R183 PolarHBondContact O-N 2.91Å; R183-G185 PolarHBondContact O-N 3.16Å; R183-I186 PolarHBondContact O-N 3.35Å; R183-I186 VanDerWaalsContact O-N 3.13Å; R183-I191 HydrophobicContact CG-CD1 3.68Å; R183-F194 HydrophobicContact CB-CD1 4.4Å; R183-F194 HydrophobicContact CB-CE1 3.59Å; R183-F194 HydrophobicContact CB-CZ 4.23Å; R183-F194 HydrophobicContact CG-CD1 4.28Å; R183-F194 HydrophobicContact CG-CE1 3.91Å; R183-E195 IonicContact CZ-OE1 3.17Å; R183-E195 VanDerWaalsContact CZ-OE1 3.23Å; R183-E195 IonicContact NE-OE1 3.79Å; R183-E195 PolarHBondContact NE-OE1 3.01Å; R183-E195 IonicContact NH2-OE1 3.11Å; R183-E195 PolarHBondContact NH2-OE1 3.04Å
184	A	97.5	Very high	97.8	Very high	77 Å²	77	45.2 Å²	45.2	64%	0.636	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-22.6	-179	0	0	0	0	0	113.5	S180 V181 L182	S180-A184 PolarHBondContact O-N 3.33Å; V181-A184 PolarHBondContact O-N 3.4Å; L182-A184 PolarHBondContact O-N 2.74Å; L182-A184 VanDerWaalsContact O-N 3.15Å
185	G	97.7	Very high	97.7	Very high	6 Å²	6	48.7 Å²	48.7	6%	0.062	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-4.5	175.7	0	0	0	0	0	114.6	L182 R183 Y209	L182-G185 PolarHBondContact O-N 3.41Å; R183-G185 PolarHBondContact O-N 3.16Å; G185-Y209 PolarHBondContact O-N 3.16Å
186	I	98.3	Very high	97.6	Very high	18 Å²	18	52.8 Å²	52.8	9%	0.092	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-78.5	135.5	-178.3	-58.1	-58.2	0	0	0	110.3	L182 R183 D190 I191 F194 I205 L208 L220	L182-I186 HydrophobicContact CG-CD1 4.3Å; L182-I186 WeakPolarHBondContact O-CG1 3.36Å; L182-I186 PolarHBondContact O-N 3.45Å; R183-I186 PolarHBondContact O-N 3.35Å; R183-I186 VanDerWaalsContact O-N 3.13Å; I186-D190 HydrophobicContact CG2-CB 3.71Å; I186-I191 HydrophobicContact CB-CD1 4.11Å; I186-I191 HydrophobicContact CG2-CB 4.46Å; I186-I191 HydrophobicContact CG2-CD1 4.14Å; I186-F194 HydrophobicContact CD1-CD2 3.88Å; I186-F194 HydrophobicContact CD1-CE2 4.19Å; I186-F194 HydrophobicContact CD1-CG 4.3Å; I186-F194 HydrophobicContact CG1-CB 4.36Å; I186-F194 HydrophobicContact CG1-CD1 4.02Å; I186-F194 HydrophobicContact CG1-CD2 3.77Å; I186-F194 HydrophobicContact CG1-CE1 4.3Å; I186-F194 HydrophobicContact CG1-CE2 4.05Å; I186-F194 HydrophobicContact CG1-CG 3.75Å; I186-F194 HydrophobicContact CG1-CZ 4.3Å; I186-F194 HydrophobicContact CG2-CB 3.96Å; I186-F194 HydrophobicContact CG2-CG 4.25Å; I186-I205 HydrophobicContact CD1-CD1 4.11Å; I186-L208 HydrophobicContact CD1-CD1 4.22Å; I186-L220 HydrophobicContact CD1-CD1 3.58Å
187	S	96.7	Very high	97.6	Very high	20 Å²	20	50.4 Å²	50.4	14%	0.14	29%	0.285	C	S	.	.			trans	-61.6	157.2	176.2	79.1	0	0	0	0	111.7	S189 D190 I191	S187-S189 PolarHBondContact O-N 2.85Å; S187-S189 PolarHBondContact OG-N 2.7Å; S187-S189 PolarHBondContact OG-OG 3.39Å; S187-D190 PolarHBondContact O-N 3.31Å; S187-D190 WeakPolarHBondContact OG-CB 3.2Å; S187-D190 VanDerWaalsContact OG-CG 3.28Å; S187-D190 PolarHBondContact OG-N 2.82Å; S187-D190 VanDerWaalsContact OG-N 3.13Å; S187-D190 PolarHBondContact OG-OD2 3.25Å; S187-I191 PolarHBondContact O-N 3.45Å; S187-I191 VanDerWaalsContact O-N 3.11Å
188	S	96.3	Very high	97.5	Very high	118 Å²	118	50.5 Å²	50.5	83%	0.825	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-25.3	175.1	-54.1	0	0	0	0	113.4	I191	S188-I191 WeakPolarHBondContact O-CG2 3.46Å
189	S	96.4	Very high	97.5	Very high	77 Å²	77	52.3 Å²	52.3	54%	0.538	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-32.7	175.7	42.6	0	0	0	0	112.2	S187 D206	S187-S189 PolarHBondContact O-N 2.85Å; S187-S189 PolarHBondContact OG-N 2.7Å; S187-S189 PolarHBondContact OG-OG 3.39Å; S189-D206 WeakPolarHBondContact CB-OD2 3.29Å; S189-D206 PolarHBondContact OG-OD2 3.35Å
190	D	97.4	Very high	97.5	Very high	12 Å²	12	50.6 Å²	50.6	6%	0.064	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-16.4	-175.3	-65.7	-51.9	0	0	0	114.1	I186 S187 Q192 N193 F194 M203 I205 D206	I186-D190 HydrophobicContact CG2-CB 3.71Å; S187-D190 PolarHBondContact O-N 3.31Å; S187-D190 WeakPolarHBondContact OG-CB 3.2Å; S187-D190 VanDerWaalsContact OG-CG 3.28Å; S187-D190 PolarHBondContact OG-N 2.82Å; S187-D190 VanDerWaalsContact OG-N 3.13Å; S187-D190 PolarHBondContact OG-OD2 3.25Å; D190-Q192 VanDerWaalsContact C-N 3.32Å; D190-Q192 PolarHBondContact O-N 2.81Å; D190-N193 PolarHBondContact O-N 2.93Å; D190-F194 PolarHBondContact O-N 2.94Å; D190-M203 HydrophobicContact CB-CE 4.12Å; D190-I205 HydrophobicContact CB-CB 4.34Å; D190-I205 HydrophobicContact CB-CG2 3.92Å; D190-I205 WeakPolarHBondContact OD2-CA 3.35Å; D190-I205 WeakPolarHBondContact OD2-CB 3.41Å; D190-D206 PolarHBondContact OD2-N 2.89Å
191	I	97.4	Very high	97.5	Very high	42 Å²	42	48.1 Å²	48.1	22%	0.215	27%	0.265	C	S	.	.	H	α-helix	trans	-55.7	-42.6	-167.6	-164.9	63.9	0	0	0	113.3	R183 I186 S187 S188 N193 F194 E195	R183-I191 HydrophobicContact CG-CD1 3.68Å; I186-I191 HydrophobicContact CB-CD1 4.11Å; I186-I191 HydrophobicContact CG2-CB 4.46Å; I186-I191 HydrophobicContact CG2-CD1 4.14Å; S187-I191 PolarHBondContact O-N 3.45Å; S187-I191 VanDerWaalsContact O-N 3.11Å; S188-I191 WeakPolarHBondContact O-CG2 3.46Å; I191-N193 PolarHBondContact O-N 2.76Å; I191-F194 HydrophobicContact CD1-CD1 4.34Å; I191-F194 PolarHBondContact O-N 2.93Å; I191-E195 HydrophobicContact CD1-CG 4.42Å; I191-E195 HydrophobicContact CG1-CG 4.33Å; I191-E195 VanDerWaalsContact O-CG 3.28Å; I191-E195 WeakPolarHBondContact O-CG 3.37Å; I191-E195 PolarHBondContact O-N 3.33Å
192	Q	97.3	Very high	97.5	Very high	142 Å²	142	48 Å²	48	66%	0.664	27%	0.265	S	S	*	.	H	α-helix	trans	-65.4	-40.8	-178.8	-173.6	179.6	35.3	0	0	111.8	D190 N196	D190-Q192 VanDerWaalsContact C-N 3.32Å; D190-Q192 PolarHBondContact O-N 2.81Å; Q192-N196 PolarHBondContact O-N 3.22Å; Q192-N196 PolarHBondContact O-ND2 3.19Å
193	N	96.5	Very high	97.5	Very high	84 Å²	84	49 Å²	49	45%	0.449	27%	0.27	S	S	.	.	H	α-helix	trans	-69.6	-39.4	177.1	-71.4	-38.2	0	0	0	110.7	D190 I191 N196 L197 M203	D190-N193 PolarHBondContact O-N 2.93Å; I191-N193 PolarHBondContact O-N 2.76Å; N193-N196 CarbonylContact O-C 3.55Å; N193-N196 PolarHBondContact O-N 2.93Å; N193-L197 PolarHBondContact O-N 3.45Å; N193-M203 HydrophobicContact CB-CE 3.42Å; N193-M203 VanDerWaalsContact CB-CE 3.42Å; N193-M203 HydrophobicContact CB-SD 4.11Å
194	F	98	Very high	97.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-62	-45.5	176.5	171.9	-94.5	0	0	0	112.6	Y179 L182 R183 I186 D190 I191 N196 L197 M203 L220 Y231	Y179-F194 AromaticContact CD2-CE1 3.92Å; Y179-F194 HydrophobicContact CD2-CE1 3.92Å; Y179-F194 HydrophobicContact CD2-CZ 4.09Å; Y179-F194 HydrophobicContact CE2-CD1 4.37Å; Y179-F194 AromaticContact CE2-CE1 3.66Å; Y179-F194 HydrophobicContact CE2-CE1 3.66Å; Y179-F194 HydrophobicContact CE2-CZ 4.29Å; L182-F194 HydrophobicContact CB-CE2 4.3Å; L182-F194 HydrophobicContact CB-CZ 4.11Å; L182-F194 HydrophobicContact CD2-CE2 3.79Å; L182-F194 HydrophobicContact CD2-CZ 4.39Å; L182-F194 HydrophobicContact CG-CE2 3.98Å; L182-F194 HydrophobicContact CG-CZ 4.28Å; R183-F194 HydrophobicContact CB-CD1 4.4Å; R183-F194 HydrophobicContact CB-CE1 3.59Å; R183-F194 HydrophobicContact CB-CZ 4.23Å; R183-F194 HydrophobicContact CG-CD1 4.28Å; R183-F194 HydrophobicContact CG-CE1 3.91Å; I186-F194 HydrophobicContact CD1-CD2 3.88Å; I186-F194 HydrophobicContact CD1-CE2 4.19Å; I186-F194 HydrophobicContact CD1-CG 4.3Å; I186-F194 HydrophobicContact CG1-CB 4.36Å; I186-F194 HydrophobicContact CG1-CD1 4.02Å; I186-F194 HydrophobicContact CG1-CD2 3.77Å; I186-F194 HydrophobicContact CG1-CE1 4.3Å; I186-F194 HydrophobicContact CG1-CE2 4.05Å; I186-F194 HydrophobicContact CG1-CG 3.75Å; I186-F194 HydrophobicContact CG1-CZ 4.3Å; I186-F194 HydrophobicContact CG2-CB 3.96Å; I186-F194 HydrophobicContact CG2-CG 4.25Å; D190-F194 PolarHBondContact O-N 2.94Å; I191-F194 HydrophobicContact CD1-CD1 4.34Å; I191-F194 PolarHBondContact O-N 2.93Å; F194-N196 PolarHBondContact O-N 2.76Å; F194-L197 VanDerWaalsContact O-CB 3.3Å; F194-L197 WeakPolarHBondContact O-CB 3.23Å; F194-L197 PolarHBondContact O-N 3.16Å; F194-L197 VanDerWaalsContact O-N 3.09Å; F194-M203 HydrophobicContact CB-SD 4.12Å; F194-L220 HydrophobicContact CD2-CD1 3.91Å; F194-L220 HydrophobicContact CE2-CD1 4.22Å; F194-Y231 HydrophobicContact CD2-CE1 4.45Å; F194-Y231 HydrophobicContact CE2-CD1 4.34Å; F194-Y231 AromaticContact CE2-CE1 3.67Å; F194-Y231 HydrophobicContact CE2-CE1 3.67Å; F194-Y231 AromaticContact CE2-CZ 3.81Å; F194-Y231 HydrophobicContact CZ-CE1 4.24Å; F194-Y231 HydrophobicContact CZ-CE2 4.47Å; F194-Y231 AromaticContact CZ-CZ 3.89Å
195	E	97	Very high	97.4	Very high	74 Å²	74	42.3 Å²	42.3	35%	0.346	23%	0.231	S	C	.	.	H	α-helix	trans	-64.1	-23.4	179.3	-69.4	-175.7	161.8	0	0	112.7	Y179 R183 I191	Y179-E195 WeakPolarHBondContact OH-CG 3.12Å; R183-E195 IonicContact CZ-OE1 3.17Å; R183-E195 VanDerWaalsContact CZ-OE1 3.23Å; R183-E195 IonicContact NE-OE1 3.79Å; R183-E195 PolarHBondContact NE-OE1 3.01Å; R183-E195 IonicContact NH2-OE1 3.11Å; R183-E195 PolarHBondContact NH2-OE1 3.04Å; I191-E195 HydrophobicContact CD1-CG 4.42Å; I191-E195 HydrophobicContact CG1-CG 4.33Å; I191-E195 VanDerWaalsContact O-CG 3.28Å; I191-E195 WeakPolarHBondContact O-CG 3.37Å; I191-E195 PolarHBondContact O-N 3.33Å
196	N	96.3	Very high	97.3	Very high	85 Å²	85	46.7 Å²	46.7	46%	0.455	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	14.7	176.9	-68.7	-70	0	0	0	113.7	Q192 N193 F194 F198 R408	Q192-N196 PolarHBondContact O-N 3.22Å; Q192-N196 PolarHBondContact O-ND2 3.19Å; N193-N196 CarbonylContact O-C 3.55Å; N193-N196 PolarHBondContact O-N 2.93Å; F194-N196 PolarHBondContact O-N 2.76Å; N196-F198 WeakPolarHBondContact O-CD2 3.24Å; N196-F198 WeakPolarHBondContact O-CE2 3.24Å; N196-R408 PolarHBondContact O-NH2 2.81Å
197	L	97.6	Very high	97.2	Very high	7 Å²	7	46.9 Å²	46.9	4%	0.037	26%	0.256	C	S	.	.			trans	-85.1	115.2	176.5	-165.1	72	0	0	0	109.9	N193 F194 E201 M203 L220 R222 Y231	N193-L197 PolarHBondContact O-N 3.45Å; F194-L197 VanDerWaalsContact O-CB 3.3Å; F194-L197 WeakPolarHBondContact O-CB 3.23Å; F194-L197 PolarHBondContact O-N 3.16Å; F194-L197 VanDerWaalsContact O-N 3.09Å; L197-E201 HydrophobicContact CD1-CB 3.62Å; L197-E201 HydrophobicContact CG-CB 4.22Å; L197-M203 HydrophobicContact CD1-CB 4.3Å; L197-M203 HydrophobicContact CD1-CG 4.18Å; L197-M203 HydrophobicContact CD1-SD 4.37Å; L197-M203 HydrophobicContact CD2-CG 4.08Å; L197-M203 HydrophobicContact CD2-SD 4.24Å; L197-L220 HydrophobicContact CD2-CB 4.42Å; L197-R222 HydrophobicContact CD2-CB 4.13Å; L197-R222 HydrophobicContact CG-CB 4.21Å; L197-R222 WeakPolarHBondContact O-CD 3.44Å; L197-R222 PolarHBondContact O-NH1 3.47Å; L197-Y231 HydrophobicContact CD2-CD1 4.4Å; L197-Y231 HydrophobicContact CD2-CE1 4.11Å
198	F	97.9	Very high	97.3	Very high	45 Å²	45	45.9 Å²	45.9	20%	0.197	25%	0.249	C	C	.	.			trans	-101.6	169.7	-179.8	-63.7	-91.2	0	0	0	112.3	N196 M200 E201 R222 V406 R407 R408	N196-F198 WeakPolarHBondContact O-CD2 3.24Å; N196-F198 WeakPolarHBondContact O-CE2 3.24Å; F198-M200 PolarHBondContact O-N 3.22Å; F198-E201 HydrophobicContact CB-CG 4.45Å; F198-E201 PolarHBondContact N-OE2 3.47Å; F198-E201 VanDerWaalsContact O-CB 3.23Å; F198-E201 WeakPolarHBondContact O-CB 3.35Å; F198-E201 PolarHBondContact O-N 3.49Å; F198-R222 WeakPolarHBondContact O-CB 3.48Å; F198-V406 HydrophobicContact CD1-CG1 4.13Å; F198-R407 VanDerWaalsContact CD1-C 3.49Å; F198-R408 HydrophobicContact CB-CG 4.03Å; F198-R408 HydrophobicContact CD1-CG 3.85Å; F198-R408 HydrophobicContact CD2-CG 3.47Å; F198-R408 VanDerWaalsContact CD2-CG 3.47Å; F198-R408 VanDerWaalsContact CD2-CZ 3.4Å; F198-R408 HydrophobicContact CE1-CG 4.15Å; F198-R408 HydrophobicContact CE2-CG 3.81Å; F198-R408 HydrophobicContact CG-CG 3.49Å; F198-R408 VanDerWaalsContact CG-CG 3.49Å; F198-R408 HydrophobicContact CZ-CG 4.13Å
199	F	98.4	Very high	97.3	Very high	37 Å²	37	43.4 Å²	43.4	16%	0.162	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	131.5	180	178.7	-109.4	0	0	0	111.4	E201 R222 Y405 V406 R407	F199-E201 VanDerWaalsContact C-N 3.28Å; F199-R222 CarbonylContact C-O 3.46Å; F199-R222 VanDerWaalsContact CA-O 3.29Å; F199-R222 WeakPolarHBondContact CA-O 3.21Å; F199-R222 WeakPolarHBondContact CD2-O 3.19Å; F199-Y405 HydrophobicContact CD1-CD2 4.37Å; F199-Y405 HydrophobicContact CD1-CG 4.19Å; F199-Y405 AromaticContact CD2-CD1 3.72Å; F199-Y405 HydrophobicContact CD2-CD1 3.72Å; F199-Y405 HydrophobicContact CD2-CE1 4.41Å; F199-Y405 AromaticContact CD2-CG 3.81Å; F199-Y405 HydrophobicContact CD2-CG 3.81Å; F199-Y405 AromaticContact CE1-CD2 3.93Å; F199-Y405 HydrophobicContact CE1-CD2 3.93Å; F199-Y405 HydrophobicContact CE1-CE2 4.29Å; F199-Y405 HydrophobicContact CE1-CG 4.08Å; F199-Y405 AromaticContact CE2-CD1 3.42Å; F199-Y405 HydrophobicContact CE2-CD1 3.42Å; F199-Y405 VanDerWaalsContact CE2-CD1 3.42Å; F199-Y405 HydrophobicContact CE2-CD2 4.17Å; F199-Y405 AromaticContact CE2-CE1 3.67Å; F199-Y405 HydrophobicContact CE2-CE1 3.67Å; F199-Y405 HydrophobicContact CE2-CE2 4.36Å; F199-Y405 AromaticContact CE2-CG 3.69Å; F199-Y405 HydrophobicContact CE2-CG 3.69Å; F199-Y405 HydrophobicContact CG-CD1 4.42Å; F199-Y405 HydrophobicContact CG-CG 4.06Å; F199-Y405 AromaticContact CZ-CD1 3.92Å; F199-Y405 HydrophobicContact CZ-CD1 3.92Å; F199-Y405 AromaticContact CZ-CD2 3.82Å; F199-Y405 HydrophobicContact CZ-CD2 3.82Å; F199-Y405 AromaticContact CZ-CE1 3.99Å; F199-Y405 HydrophobicContact CZ-CE1 3.99Å; F199-Y405 AromaticContact CZ-CE2 3.87Å; F199-Y405 HydrophobicContact CZ-CE2 3.87Å; F199-Y405 AromaticContact CZ-CG 3.83Å; F199-Y405 HydrophobicContact CZ-CG 3.83Å; F199-Y405 AromaticContact CZ-CZ 3.95Å; F199-V406 WeakPolarHBondContact CA-O 3.48Å; F199-V406 WeakPolarHBondContact CB-O 3.47Å; F199-V406 PolarHBondContact N-O 2.99Å; F199-R407 HydrophobicContact CB-CG 4.29Å
200	M	97.8	Very high	97.3	Very high	28 Å²	28	42.7 Å²	42.7	14%	0.138	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	23.4	-172.5	-62.6	-65	-60.4	0	0	114.7	S104 G105 T106 I122 M124 F198 R222 C223	S104-M200 CarbonylContact C-O 3.17Å; S104-M200 WeakPolarHBondContact CA-O 3.44Å; G105-M200 PolarHBondContact N-O 3.45Å; G105-M200 WeakPolarHBondContact O-CE 3.37Å; T106-M200 VanDerWaalsContact C-CE 3.45Å; T106-M200 VanDerWaalsContact CA-CE 3.44Å; T106-M200 VanDerWaalsContact N-CE 3.33Å; I122-M200 HydrophobicContact CD1-CE 3.91Å; I122-M200 HydrophobicContact CD1-SD 4.27Å; I122-M200 HydrophobicContact CG2-CE 4.24Å; M124-M200 HydrophobicContact CE-CE 3.63Å; M124-M200 HydrophobicContact CE-SD 4.32Å; F198-M200 PolarHBondContact O-N 3.22Å; M200-R222 PolarHBondContact N-O 2.94Å; M200-C223 HydrophobicContact SD-CB 3.97Å
201	E	98.3	Very high	97.3	Very high	25 Å²	25	44.6 Å²	44.6	12%	0.117	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-106.4	153.6	165.7	-58.7	178.8	169	0	0	110.7	S103 L197 F198 F199 T221 R222 R408	S103-E201 CarbonylContact O-C 3.52Å; S103-E201 VanDerWaalsContact O-CA 3.22Å; S103-E201 WeakPolarHBondContact O-CA 3.34Å; L197-E201 HydrophobicContact CD1-CB 3.62Å; L197-E201 HydrophobicContact CG-CB 4.22Å; F198-E201 HydrophobicContact CB-CG 4.45Å; F198-E201 PolarHBondContact N-OE2 3.47Å; F198-E201 VanDerWaalsContact O-CB 3.23Å; F198-E201 WeakPolarHBondContact O-CB 3.35Å; F198-E201 PolarHBondContact O-N 3.49Å; F199-E201 VanDerWaalsContact C-N 3.28Å; E201-T221 CarbonylContact O-C 3.46Å; E201-T221 WeakPolarHBondContact O-CA 3.36Å; E201-R222 PolarHBondContact O-N 3.41Å; E201-R408 IonicContact OE1-CZ 3.68Å; E201-R408 VanDerWaalsContact OE1-CZ 3.29Å; E201-R408 IonicContact OE1-NE 2.86Å; E201-R408 PolarHBondContact OE1-NE 3.45Å; E201-R408 IonicContact OE1-NH2 2.8Å; E201-R408 PolarHBondContact OE1-NH2 3.38Å; E201-R408 IonicContact OE2-CZ 2.74Å; E201-R408 IonicContact OE2-NH2 3.27Å; E201-R408 PolarHBondContact OE2-NH2 2.97Å
202	S	98	Very high	97.2	Very high	2 Å²	2	47 Å²	47	1%	0.014	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	154.5	177.4	74.8	0	0	0	0	112.4	S103 R219 L220 T221	S103-S202 WeakPolarHBondContact CB-O 3.47Å; S103-S202 PolarHBondContact O-N 3.35Å; S202-R219 PolarHBondContact OG-NH1 2.6Å; S202-L220 CarbonylContact C-O 3.4Å; S202-L220 WeakPolarHBondContact CA-O 3.4Å; S202-L220 VanDerWaalsContact CB-O 3.26Å; S202-L220 WeakPolarHBondContact CB-O 3.42Å; S202-T221 WeakPolarHBondContact CB-OG1 3.5Å
203	M	97.5	Very high	97.1	Very high	20 Å²	20	41.2 Å²	41.2	10%	0.099	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	156.2	174.4	62.9	-178.1	-65	0	0	110.3	D190 N193 F194 L197 I205 R219 L220	D190-M203 HydrophobicContact CB-CE 4.12Å; N193-M203 HydrophobicContact CB-CE 3.42Å; N193-M203 VanDerWaalsContact CB-CE 3.42Å; N193-M203 HydrophobicContact CB-SD 4.11Å; F194-M203 HydrophobicContact CB-SD 4.12Å; L197-M203 HydrophobicContact CD1-CB 4.3Å; L197-M203 HydrophobicContact CD1-CG 4.18Å; L197-M203 HydrophobicContact CD1-SD 4.37Å; L197-M203 HydrophobicContact CD2-CG 4.08Å; L197-M203 HydrophobicContact CD2-SD 4.24Å; M203-I205 HydrophobicContact CE-CG2 3.68Å; M203-I205 HydrophobicContact CG-CG2 4.24Å; M203-I205 HydrophobicContact SD-CG2 4.25Å; M203-R219 WeakPolarHBondContact O-CA 3.42Å; M203-L220 HydrophobicContact CG-CB 4.18Å; M203-L220 PolarHBondContact N-O 2.97Å; M203-L220 PolarHBondContact O-N 3.2Å
204	L	97.3	Very high	96.6	Very high	38 Å²	38	43.2 Å²	43.2	20%	0.199	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	149.6	160.3	-62.5	-172.7	0	0	0	109.3	E128 D217 I218 R219	E128-L204 VanDerWaalsContact CD-CD1 3.49Å; E128-L204 HydrophobicContact CG-CD1 3.8Å; E128-L204 WeakPolarHBondContact OE1-CD1 3.36Å; L204-D217 HydrophobicContact CD1-CB 3.96Å; L204-D217 HydrophobicContact CD2-CB 3.76Å; L204-D217 HydrophobicContact CG-CB 4.42Å; L204-I218 WeakPolarHBondContact CA-O 3.41Å; L204-R219 HydrophobicContact CD2-CB 3.73Å; L204-R219 HydrophobicContact CD2-CG 4.26Å
205	I	97.1	Very high	96	Very high	9 Å²	9	50.5 Å²	50.5	5%	0.046	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	150.1	173	58.7	173.1	0	0	0	110.1	I186 D190 M203 L208 I218 L220	I186-I205 HydrophobicContact CD1-CD1 4.11Å; D190-I205 HydrophobicContact CB-CB 4.34Å; D190-I205 HydrophobicContact CB-CG2 3.92Å; D190-I205 WeakPolarHBondContact OD2-CA 3.35Å; D190-I205 WeakPolarHBondContact OD2-CB 3.41Å; M203-I205 HydrophobicContact CE-CG2 3.68Å; M203-I205 HydrophobicContact CG-CG2 4.24Å; M203-I205 HydrophobicContact SD-CG2 4.25Å; I205-L208 HydrophobicContact CD1-CB 3.91Å; I205-L208 HydrophobicContact CD1-CD1 4.48Å; I205-I218 HydrophobicContact CD1-CB 4.36Å; I205-I218 HydrophobicContact CD1-CG2 3.71Å; I205-I218 HydrophobicContact CG1-CB 3.77Å; I205-I218 HydrophobicContact CG1-CG2 3.61Å; I205-I218 PolarHBondContact N-O 3.02Å; I205-L220 HydrophobicContact CD1-CD1 3.77Å; I205-L220 HydrophobicContact CD1-CD2 4.08Å; I205-L220 HydrophobicContact CD1-CG 3.74Å; I205-L220 HydrophobicContact CG1-CG 4.23Å; I205-L220 HydrophobicContact CG2-CD1 3.88Å; I205-L220 HydrophobicContact CG2-CG 4.19Å
206	D	94.9	Very high	95.6	Very high	98 Å²	98	49.2 Å²	49.2	52%	0.524	28%	0.28	S	S	.	.	S	Bend	trans	-71.5	-34.1	-177.2	-66.6	-29.2	0	0	0	112.4	S189 D190 N212	S189-D206 WeakPolarHBondContact CB-OD2 3.29Å; S189-D206 PolarHBondContact OG-OD2 3.35Å; D190-D206 PolarHBondContact OD2-N 2.89Å; D206-N212 WeakPolarHBondContact O-CB 3.48Å; D206-N212 PolarHBondContact O-ND2 2.8Å
207	S	96.9	Very high	95.4	Very high	21 Å²	21	48.7 Å²	48.7	15%	0.147	28%	0.278	C	S	.	.			trans	-161.5	157.4	178.7	62.8	0	0	0	0	111.2	L211	S207-L211 VanDerWaalsContact CA-O 3.29Å; S207-L211 WeakPolarHBondContact CA-O 3.43Å; S207-L211 WeakPolarHBondContact CB-O 3.47Å
208	L	98	Very high	95.4	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-126.9	122.1	171.9	179.2	56	0	0	0	109.7	L182 I186 I205 G210 L211 I218 I233 I243	L182-L208 HydrophobicContact CD1-CD1 3.73Å; L182-L208 HydrophobicContact CD1-CD2 4.18Å; I186-L208 HydrophobicContact CD1-CD1 4.22Å; I205-L208 HydrophobicContact CD1-CB 3.91Å; I205-L208 HydrophobicContact CD1-CD1 4.48Å; L208-G210 PolarHBondContact O-N 2.81Å; L208-L211 PolarHBondContact N-O 2.9Å; L208-L211 VanDerWaalsContact O-CB 3.32Å; L208-L211 WeakPolarHBondContact O-CB 3.34Å; L208-L211 PolarHBondContact O-N 3.36Å; L208-I218 HydrophobicContact CB-CD1 4.22Å; L208-I233 HydrophobicContact CD2-CD1 4.22Å; L208-I233 HydrophobicContact CD2-CG2 3.61Å; L208-I243 HydrophobicContact CB-CD1 4.31Å; L208-I243 HydrophobicContact CD2-CD1 4.2Å; L208-I243 HydrophobicContact CD2-CG2 3.77Å; L208-I243 HydrophobicContact CG-CD1 4.49Å; L208-I243 HydrophobicContact CG-CG2 4.43Å
209	Y	97.5	Very high	95.4	Very high	65 Å²	65	46.7 Å²	46.7	26%	0.255	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	35.5	-170.6	-68.5	-81	0	0	0	112.8	V181 G185 L211 A246 L247	V181-Y209 PolarHBondContact O-OH 3.28Å; G185-Y209 PolarHBondContact O-N 3.16Å; Y209-L211 PolarHBondContact O-N 2.95Å; Y209-A246 HydrophobicContact CD1-CB 4.27Å; Y209-A246 HydrophobicContact CD2-CB 4.01Å; Y209-A246 HydrophobicContact CG-CB 3.88Å; Y209-L247 HydrophobicContact CE2-CD2 3.6Å; Y209-L247 HydrophobicContact CE2-CG 4.05Å
210	G	96.6	Very high	95.4	Very high	62 Å²	62	45 Å²	45	64%	0.639	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.5	5.3	-176.5	0	0	0	0	0	114.8	L208	L208-G210 PolarHBondContact O-N 2.81Å
211	L	97.4	Very high	95.5	Very high	53 Å²	53	43.9 Å²	43.9	28%	0.277	26%	0.256	S	S	.	.	B	Isolated β-bridge	trans	-96.6	134.9	177.2	-58.9	164.3	0	0	0	110.2	S207 L208 Y209 I218 I239 P242 I243	S207-L211 VanDerWaalsContact CA-O 3.29Å; S207-L211 WeakPolarHBondContact CA-O 3.43Å; S207-L211 WeakPolarHBondContact CB-O 3.47Å; L208-L211 PolarHBondContact N-O 2.9Å; L208-L211 VanDerWaalsContact O-CB 3.32Å; L208-L211 WeakPolarHBondContact O-CB 3.34Å; L208-L211 PolarHBondContact O-N 3.36Å; Y209-L211 PolarHBondContact O-N 2.95Å; L211-I218 WeakPolarHBondContact O-CD1 3.18Å; L211-I239 HydrophobicContact CB-CD1 4.5Å; L211-P242 HydrophobicContact CD1-CB 3.59Å; L211-P242 HydrophobicContact CD2-CB 4.4Å; L211-I243 HydrophobicContact CB-CG1 4.42Å; L211-I243 HydrophobicContact CD1-CG1 3.66Å
212	N	96	Very high	95.5	Very high	91 Å²	91	43.3 Å²	43.3	49%	0.487	25%	0.252	S	S	.	.			trans	-153	176.7	172.2	66	8.4	0	0	0	110.5	D206	D206-N212 WeakPolarHBondContact O-CB 3.48Å; D206-N212 PolarHBondContact O-ND2 2.8Å
213	T	93.3	Very high	95.5	Very high	22 Å²	22	43.4 Å²	43.4	14%	0.135	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-129.6	145.6	164.6	68.6	0	0	0	0	108.7	D215 S216 P236 I239	T213-D215 PolarHBondContact O-N 3.19Å; T213-S216 WeakPolarHBondContact OG1-CB 3.43Å; T213-S216 PolarHBondContact OG1-O 3.25Å; T213-P236 HydrophobicContact CG2-CB 3.83Å; T213-P236 HydrophobicContact CG2-CG 4.02Å; T213-P236 WeakPolarHBondContact OG1-CG 3.45Å; T213-I239 HydrophobicContact CG2-CD1 4.43Å; T213-I239 HydrophobicContact CG2-CG2 3.76Å
214	P	87.2	Confident	95.5	Very high	126 Å²	126	43.3 Å²	43.3	82%	0.818	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-31	-174.5	-25.4	34.7	0	0	0	114.5
215	D	84.6	Confident	95.6	Very high	152 Å²	152	43.4 Å²	43.4	81%	0.813	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117	13.6	-167.2	-59.6	-52.9	0	0	0	113.4	T213	T213-D215 PolarHBondContact O-N 3.19Å
216	S	88.6	Confident	95.7	Very high	47 Å²	47	43 Å²	43	33%	0.329	25%	0.253	S	S	.	.	B	Isolated β-bridge	trans	-146.9	130.6	179.4	-63	0	0	0	0	113.3	T213 P236	T213-S216 WeakPolarHBondContact OG1-CB 3.43Å; T213-S216 PolarHBondContact OG1-O 3.25Å; S216-P236 VanDerWaalsContact CB-CG 3.5Å
217	D	93.2	Very high	95.8	Very high	74 Å²	74	38.3 Å²	38.3	40%	0.396	23%	0.228	S	C	.	.			trans	-70.2	145.6	-176.3	-54.8	-32.1	0	0	0	112	H168 L204	H168-D217 PolarHBondContact CE1-O 3.24Å; L204-D217 HydrophobicContact CD1-CB 3.96Å; L204-D217 HydrophobicContact CD2-CB 3.76Å; L204-D217 HydrophobicContact CG-CB 4.42Å
218	I	97.6	Very high	95.9	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.015	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	120.8	162	-58.9	171.2	0	0	0	107.9	L204 I205 L208 L211 I233 S234 V235 I239	L204-I218 WeakPolarHBondContact CA-O 3.41Å; I205-I218 HydrophobicContact CD1-CB 4.36Å; I205-I218 HydrophobicContact CD1-CG2 3.71Å; I205-I218 HydrophobicContact CG1-CB 3.77Å; I205-I218 HydrophobicContact CG1-CG2 3.61Å; I205-I218 PolarHBondContact N-O 3.02Å; L208-I218 HydrophobicContact CB-CD1 4.22Å; L211-I218 WeakPolarHBondContact O-CD1 3.18Å; I218-I233 HydrophobicContact CG2-CG2 4.34Å; I218-S234 WeakPolarHBondContact CA-O 3.48Å; I218-V235 HydrophobicContact CG1-CG1 4.32Å; I218-V235 HydrophobicContact CG2-CG1 3.77Å; I218-I239 HydrophobicContact CD1-CD1 3.75Å; I218-I239 HydrophobicContact CG1-CD1 4.18Å
219	R	98	Very high	95.9	Very high	8 Å²	8	38.1 Å²	38.1	3%	0.03	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	126.2	176.9	178.5	171.4	-65.8	-76.6	-6.4	110.8	C126 E128 Y130 S202 M203 L204 I233 S234	C126-R219 VanDerWaalsContact SG-CZ 3.53Å; E128-R219 IonicContact OE2-CZ 2.78Å; E128-R219 IonicContact OE2-NH1 3.39Å; E128-R219 IonicContact OE2-NH2 3.63Å; E128-R219 PolarHBondContact OE2-NH2 2.6Å; Y130-R219 PolarHBondContact OH-NH2 2.92Å; S202-R219 PolarHBondContact OG-NH1 2.6Å; M203-R219 WeakPolarHBondContact O-CA 3.42Å; L204-R219 HydrophobicContact CD2-CB 3.73Å; L204-R219 HydrophobicContact CD2-CG 4.26Å; R219-I233 WeakPolarHBondContact O-CA 3.45Å; R219-S234 PolarHBondContact N-O 3.15Å; R219-S234 PolarHBondContact O-N 3.41Å
220	L	98.4	Very high	96	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	135.4	166	-63.3	-172.4	0	0	0	110	L182 I186 F194 L197 S202 M203 I205 I233	L182-L220 HydrophobicContact CD2-CD1 4.1Å; L182-L220 HydrophobicContact CD2-CD2 4.12Å; I186-L220 HydrophobicContact CD1-CD1 3.58Å; F194-L220 HydrophobicContact CD2-CD1 3.91Å; F194-L220 HydrophobicContact CE2-CD1 4.22Å; L197-L220 HydrophobicContact CD2-CB 4.42Å; S202-L220 CarbonylContact C-O 3.4Å; S202-L220 WeakPolarHBondContact CA-O 3.4Å; S202-L220 VanDerWaalsContact CB-O 3.26Å; S202-L220 WeakPolarHBondContact CB-O 3.42Å; M203-L220 HydrophobicContact CG-CB 4.18Å; M203-L220 PolarHBondContact N-O 2.97Å; M203-L220 PolarHBondContact O-N 3.2Å; I205-L220 HydrophobicContact CD1-CD1 3.77Å; I205-L220 HydrophobicContact CD1-CD2 4.08Å; I205-L220 HydrophobicContact CD1-CG 3.74Å; I205-L220 HydrophobicContact CG1-CG 4.23Å; I205-L220 HydrophobicContact CG2-CD1 3.88Å; I205-L220 HydrophobicContact CG2-CG 4.19Å; L220-I233 HydrophobicContact CD2-CB 4.08Å; L220-I233 HydrophobicContact CD2-CG1 3.86Å; L220-I233 HydrophobicContact CD2-CG2 3.62Å
221	T	98.6	Very high	96.1	Very high	5 Å²	5	32.1 Å²	32.1	3%	0.031	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	125.2	169.8	-53.8	0	0	0	0	108.3	M124 E201 S202 C223 Y231 E232	M124-T221 HydrophobicContact CE-CG2 3.44Å; M124-T221 VanDerWaalsContact CE-CG2 3.44Å; M124-T221 HydrophobicContact SD-CG2 3.88Å; E201-T221 CarbonylContact O-C 3.46Å; E201-T221 WeakPolarHBondContact O-CA 3.36Å; S202-T221 WeakPolarHBondContact CB-OG1 3.5Å; T221-C223 VanDerWaalsContact C-N 3.29Å; T221-C223 HydrophobicContact CG2-CB 3.94Å; T221-C223 WeakPolarHBondContact CG2-SG 3.39Å; T221-C223 PolarHBondContact O-N 2.9Å; T221-Y231 CarbonylContact O-C 3.54Å; T221-Y231 WeakPolarHBondContact O-CA 3.12Å; T221-E232 PolarHBondContact N-O 3.19Å; T221-E232 PolarHBondContact O-N 2.91Å
222	R	98.6	Very high	96.2	Very high	13 Å²	13	30.6 Å²	30.6	5%	0.049	18%	0.175	C	C	.	.	S	Bend	trans	-81.3	81.2	175.8	-165.1	174.4	-168.8	161.4	9.9	109.4	L197 F198 F199 M200 E201 D229 G230 Y231 V406	L197-R222 HydrophobicContact CD2-CB 4.13Å; L197-R222 HydrophobicContact CG-CB 4.21Å; L197-R222 WeakPolarHBondContact O-CD 3.44Å; L197-R222 PolarHBondContact O-NH1 3.47Å; F198-R222 WeakPolarHBondContact O-CB 3.48Å; F199-R222 CarbonylContact C-O 3.46Å; F199-R222 VanDerWaalsContact CA-O 3.29Å; F199-R222 WeakPolarHBondContact CA-O 3.21Å; F199-R222 WeakPolarHBondContact CD2-O 3.19Å; M200-R222 PolarHBondContact N-O 2.94Å; E201-R222 PolarHBondContact O-N 3.41Å; R222-D229 IonicContact CZ-OD1 3.34Å; R222-D229 IonicContact CZ-OD2 3.48Å; R222-D229 IonicContact NE-OD1 3.73Å; R222-D229 PolarHBondContact NE-OD1 2.87Å; R222-D229 IonicContact NE-OD2 2.83Å; R222-D229 IonicContact NH2-OD1 3.36Å; R222-D229 PolarHBondContact NH2-OD1 2.73Å; R222-D229 IonicContact NH2-OD2 3.15Å; R222-D229 PolarHBondContact NH2-OD2 2.84Å; R222-G230 CarbonylContact C-O 3.53Å; R222-G230 WeakPolarHBondContact CA-O 3.49Å; R222-G230 VanDerWaalsContact CG-O 3.3Å; R222-G230 WeakPolarHBondContact CG-O 3.28Å; R222-Y231 HydrophobicContact CB-CD1 3.89Å; R222-Y231 HydrophobicContact CB-CE1 3.76Å; R222-Y231 HydrophobicContact CG-CD1 4.02Å; R222-Y231 HydrophobicContact CG-CE1 3.66Å; R222-Y231 HydrophobicContact CG-CE2 4.47Å; R222-Y231 PolarHBondContact NE-OH 2.86Å; R222-Y231 PolarHBondContact NH1-OH 3.21Å; R222-V406 VanDerWaalsContact NH2-CG2 3.3Å
223	C	98.5	Very high	96.3	Very high	5 Å²	5	26.2 Å²	26.2	3%	0.034	15%	0.152	C	C	.	.			trans	-147.1	-178	-178.9	65.5	0	0	0	0	110.2	Q174 M200 T221 G230	Q174-C223 PolarHBondContact NE2-O 2.91Å; M200-C223 HydrophobicContact SD-CB 3.97Å; T221-C223 VanDerWaalsContact C-N 3.29Å; T221-C223 HydrophobicContact CG2-CB 3.94Å; T221-C223 WeakPolarHBondContact CG2-SG 3.39Å; T221-C223 PolarHBondContact O-N 2.9Å; C223-G230 PolarHBondContact N-O 3.18Å; C223-G230 CarbonylContact O-C 3.56Å
224	G	98	Very high	96.6	Very high	18 Å²	18	25.3 Å²	25.3	19%	0.186	15%	0.146	C	C	.	.			trans	164.8	-164.8	167.9	0	0	0	0	0	114.1
225	Y	98.5	Very high	97.1	Very high	39 Å²	39	19.3 Å²	19.3	15%	0.153	11%	0.108	C	C	.	.	S	Bend	trans	-131.4	32.3	-166.2	-161.9	-119.3	0	0	0	112.4	R261 R265 L270 C271 L272	Y225-R261 HydrophobicContact CD1-CG 4.13Å; Y225-R265 HydrophobicContact CD1-CB 3.45Å; Y225-R265 VanDerWaalsContact CD1-CB 3.45Å; Y225-R265 HydrophobicContact CD1-CG 4.01Å; Y225-R265 HydrophobicContact CD2-CB 4.33Å; Y225-R265 HydrophobicContact CE1-CB 3.25Å; Y225-R265 HydrophobicContact CE1-CG 3.37Å; Y225-R265 HydrophobicContact CE2-CB 4.16Å; Y225-R265 HydrophobicContact CG-CB 4Å; Y225-R265 WeakPolarHBondContact O-CA 3.34Å; Y225-R265 VanDerWaalsContact O-CB 3.29Å; Y225-R265 WeakPolarHBondContact O-CB 3.46Å; Y225-R265 WeakPolarHBondContact OH-CD 3.47Å; Y225-L270 HydrophobicContact CD2-CB 4.09Å; Y225-L270 HydrophobicContact CD2-CD1 3.62Å; Y225-L270 HydrophobicContact CD2-CG 4.48Å; Y225-L270 HydrophobicContact CE2-CB 3.65Å; Y225-L270 HydrophobicContact CE2-CD1 4.1Å; Y225-L270 HydrophobicContact CG-CD1 4.2Å; Y225-C271 VanDerWaalsContact OH-C 3.23Å; Y225-C271 PolarHBondContact OH-O 3.42Å; Y225-L272 WeakPolarHBondContact OH-CA 3.39Å
226	T	98.8	Very high	97.7	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.069	C	C	.	.	S	Bend	trans	-127.5	-15.2	-173.1	64.1	0	0	0	0	114	V63 R64 F70 Q174 E228 L264	V63-T226 HydrophobicContact CG1-CG2 4.47Å; R64-T226 PolarHBondContact NH1-O 3.27Å; R64-T226 PolarHBondContact NH2-O 3.06Å; F70-T226 HydrophobicContact CE2-CG2 4.24Å; F70-T226 HydrophobicContact CZ-CG2 4.29Å; Q174-T226 HydrophobicContact CB-CG2 3.67Å; Q174-T226 HydrophobicContact CG-CG2 3.74Å; Q174-T226 PolarHBondContact OE1-OG1 2.77Å; T226-E228 PolarHBondContact O-N 2.94Å; T226-E228 PolarHBondContact OG1-N 2.62Å; T226-L264 HydrophobicContact CG2-CB 4.29Å; T226-L264 HydrophobicContact CG2-CD1 4.1Å
227	G	98.4	Very high	98.1	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.061	C	C	.	.	S	Bend	trans	78	-6.7	-169.5	0	0	0	0	0	114.5	T403 K404 Y405	G227-T403 CarbonylContact O-C 3.48Å; G227-T403 WeakPolarHBondContact O-CA 3.45Å; G227-T403 WeakPolarHBondContact O-CB 3.2Å; G227-K404 PolarHBondContact O-N 3.38Å; G227-Y405 WeakPolarHBondContact CA-OH 3.43Å
228	E	98.7	Very high	98.2	Very high	4 Å²	4	13.9 Å²	13.9	2%	0.019	7%	0.072	C	C	.	.	S	Bend	trans	-87.9	173	172.7	-62.3	-60.5	140.9	0	0	111.2	R64 T226 K404 Y405	R64-E228 WeakPolarHBondContact CD-OE1 3.25Å; R64-E228 IonicContact CZ-OE1 3.15Å; R64-E228 IonicContact NE-OE1 2.87Å; R64-E228 IonicContact NH1-OE1 2.71Å; R64-E228 PolarHBondContact NH1-OE1 2.63Å; T226-E228 PolarHBondContact O-N 2.94Å; T226-E228 PolarHBondContact OG1-N 2.62Å; E228-K404 IonicContact OE1-NZ 3.41Å; E228-K404 PolarHBondContact OE1-NZ 3.26Å; E228-K404 VanDerWaalsContact OE1-NZ 3.17Å; E228-K404 WeakPolarHBondContact OE2-CD 3.42Å; E228-K404 WeakPolarHBondContact OE2-CE 3.36Å; E228-K404 IonicContact OE2-NZ 2.73Å; E228-K404 PolarHBondContact OE2-NZ 3.03Å; E228-Y405 VanDerWaalsContact O-CD1 3.29Å; E228-Y405 WeakPolarHBondContact O-CD1 3.47Å; E228-Y405 WeakPolarHBondContact O-CE1 3.1Å
229	D	98.6	Very high	98.2	Very high	13 Å²	13	14.4 Å²	14.4	7%	0.07	8%	0.075	C	C	.	.	S	Bend	trans	-61.7	155.7	159.4	-171.1	30	0	0	0	110.3	G175 R222 K404 V406	G175-D229 PolarHBondContact N-O 2.87Å; R222-D229 IonicContact CZ-OD1 3.34Å; R222-D229 IonicContact CZ-OD2 3.48Å; R222-D229 IonicContact NE-OD1 3.73Å; R222-D229 PolarHBondContact NE-OD1 2.87Å; R222-D229 IonicContact NE-OD2 2.83Å; R222-D229 IonicContact NH2-OD1 3.36Å; R222-D229 PolarHBondContact NH2-OD1 2.73Å; R222-D229 IonicContact NH2-OD2 3.15Å; R222-D229 PolarHBondContact NH2-OD2 2.84Å; D229-K404 PolarHBondContact N-O 3Å; D229-V406 HydrophobicContact CB-CG2 4.15Å
230	G	98.7	Very high	98.2	Very high	2 Å²	2	14 Å²	14	2%	0.021	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.2	173.1	-177.8	0	0	0	0	0	114	L173 R222 C223	L173-G230 CarbonylContact O-C 3.53Å; L173-G230 WeakPolarHBondContact O-CA 3.29Å; R222-G230 CarbonylContact C-O 3.53Å; R222-G230 WeakPolarHBondContact CA-O 3.49Å; R222-G230 VanDerWaalsContact CG-O 3.3Å; R222-G230 WeakPolarHBondContact CG-O 3.28Å; C223-G230 PolarHBondContact N-O 3.18Å; C223-G230 CarbonylContact O-C 3.56Å
231	Y	98.8	Very high	98.2	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	143.1	-176.3	-59.3	-96.5	0	0	0	110.5	A172 L173 Q174 A178 Y179 L182 F194 L197 T221 R222	A172-Y231 CarbonylContact C-O 3.48Å; A172-Y231 WeakPolarHBondContact CA-O 3.41Å; L173-Y231 PolarHBondContact N-O 3.48Å; L173-Y231 PolarHBondContact O-N 2.75Å; Q174-Y231 PolarHBondContact NE2-O 3.04Å; A178-Y231 HydrophobicContact CB-CD2 4.3Å; Y179-Y231 WeakPolarHBondContact CD2-OH 3.48Å; L182-Y231 HydrophobicContact CD2-CD1 3.68Å; L182-Y231 HydrophobicContact CD2-CD2 3.63Å; L182-Y231 HydrophobicContact CD2-CE1 4.24Å; L182-Y231 HydrophobicContact CD2-CE2 4.24Å; L182-Y231 HydrophobicContact CD2-CG 3.34Å; F194-Y231 HydrophobicContact CD2-CE1 4.45Å; F194-Y231 HydrophobicContact CE2-CD1 4.34Å; F194-Y231 AromaticContact CE2-CE1 3.67Å; F194-Y231 HydrophobicContact CE2-CE1 3.67Å; F194-Y231 AromaticContact CE2-CZ 3.81Å; F194-Y231 HydrophobicContact CZ-CE1 4.24Å; F194-Y231 HydrophobicContact CZ-CE2 4.47Å; F194-Y231 AromaticContact CZ-CZ 3.89Å; L197-Y231 HydrophobicContact CD2-CD1 4.4Å; L197-Y231 HydrophobicContact CD2-CE1 4.11Å; T221-Y231 CarbonylContact O-C 3.54Å; T221-Y231 WeakPolarHBondContact O-CA 3.12Å; R222-Y231 HydrophobicContact CB-CD1 3.89Å; R222-Y231 HydrophobicContact CB-CE1 3.76Å; R222-Y231 HydrophobicContact CG-CD1 4.02Å; R222-Y231 HydrophobicContact CG-CE1 3.66Å; R222-Y231 HydrophobicContact CG-CE2 4.47Å; R222-Y231 PolarHBondContact NE-OH 2.86Å; R222-Y231 PolarHBondContact NH1-OH 3.21Å
232	E	98.8	Very high	98.1	Very high	20 Å²	20	18.6 Å²	18.6	9%	0.093	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	136.2	158.2	-67.9	-173.8	168	0	0	109.1	L170 L171 A172 T221	L170-E232 HydrophobicContact CD1-CB 4.25Å; L171-E232 CarbonylContact O-C 3.56Å; L171-E232 VanDerWaalsContact O-CA 3.32Å; L171-E232 WeakPolarHBondContact O-CA 3.17Å; A172-E232 HydrophobicContact CB-CG 4.02Å; T221-E232 PolarHBondContact N-O 3.19Å; T221-E232 PolarHBondContact O-N 2.91Å
233	I	98.7	Very high	98.1	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	101	-170.3	-44.3	173.7	0	0	0	106.7	L171 L173 L182 L208 I218 R219 L220 V235 L247	L171-I233 HydrophobicContact CB-CB 4.34Å; L171-I233 PolarHBondContact N-O 3.12Å; L171-I233 PolarHBondContact O-N 3.04Å; L173-I233 HydrophobicContact CB-CD1 4.47Å; L182-I233 HydrophobicContact CD1-CD1 3.71Å; L182-I233 HydrophobicContact CD2-CD1 4.49Å; L208-I233 HydrophobicContact CD2-CD1 4.22Å; L208-I233 HydrophobicContact CD2-CG2 3.61Å; I218-I233 HydrophobicContact CG2-CG2 4.34Å; R219-I233 WeakPolarHBondContact O-CA 3.45Å; L220-I233 HydrophobicContact CD2-CB 4.08Å; L220-I233 HydrophobicContact CD2-CG1 3.86Å; L220-I233 HydrophobicContact CD2-CG2 3.62Å; I233-V235 HydrophobicContact CG2-CG1 3.64Å; I233-L247 HydrophobicContact CD1-CD1 4.3Å
234	S	98.7	Very high	98.1	Very high	3 Å²	3	17.7 Å²	17.7	2%	0.021	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	117.6	173.2	179.5	0	0	0	0	108.4	Q77 H168 S169 I218 R219	Q77-S234 VanDerWaalsContact OE1-CB 3.29Å; Q77-S234 PolarHBondContact OE1-OG 3.1Å; H168-S234 PolarHBondContact ND1-OG 3.12Å; H168-S234 VanDerWaalsContact ND1-OG 3.1Å; S169-S234 WeakPolarHBondContact O-CA 3.33Å; I218-S234 WeakPolarHBondContact CA-O 3.48Å; R219-S234 PolarHBondContact N-O 3.15Å; R219-S234 PolarHBondContact O-N 3.41Å
235	V	98.2	Very high	98.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	148.8	-175	-68.5	0	0	0	0	110.6	H168 S169 I218 I233 S237 I239 A240 I243	H168-V235 CarbonylContact C-O 3.56Å; H168-V235 WeakPolarHBondContact CA-O 3.17Å; H168-V235 VanDerWaalsContact CB-O 3.28Å; H168-V235 WeakPolarHBondContact CB-O 3.32Å; S169-V235 PolarHBondContact N-O 3.3Å; S169-V235 PolarHBondContact O-N 2.98Å; I218-V235 HydrophobicContact CG1-CG1 4.32Å; I218-V235 HydrophobicContact CG2-CG1 3.77Å; I233-V235 HydrophobicContact CG2-CG1 3.64Å; V235-S237 PolarHBondContact O-N 3.02Å; V235-I239 HydrophobicContact CB-CG1 4.24Å; V235-A240 HydrophobicContact CG2-CB 3.95Å; V235-I243 HydrophobicContact CB-CD1 4.1Å; V235-I243 HydrophobicContact CG1-CD1 3.52Å; V235-I243 HydrophobicContact CG2-CD1 4.46Å
236	P	97.1	Very high	98.1	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.006	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.3	133.9	164.5	-22.6	32.7	0	0	0	109.8	T213 S216 E238 I239 A240	T213-P236 HydrophobicContact CG2-CB 3.83Å; T213-P236 HydrophobicContact CG2-CG 4.02Å; T213-P236 WeakPolarHBondContact OG1-CG 3.45Å; S216-P236 VanDerWaalsContact CB-CG 3.5Å; P236-E238 PolarHBondContact O-N 2.79Å; P236-E238 VanDerWaalsContact O-N 3.14Å; P236-I239 HydrophobicContact CB-CG1 4.24Å; P236-I239 HydrophobicContact CG-CD1 4.28Å; P236-I239 HydrophobicContact CG-CG1 4.41Å; P236-I239 WeakPolarHBondContact O-CG1 3.28Å; P236-I239 PolarHBondContact O-N 3.35Å; P236-I239 VanDerWaalsContact O-N 3.1Å; P236-A240 PolarHBondContact O-N 3.07Å
237	S	97	Very high	98.1	Very high	23 Å²	23	19.8 Å²	19.8	16%	0.161	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-63.1	-26.1	-171.4	-65.7	0	0	0	0	112.5	N167 S169 V235 I239 A240	N167-S237 PolarHBondContact O-OG 3.12Å; S169-S237 PolarHBondContact N-OG 3.32Å; S169-S237 PolarHBondContact OG-OG 2.99Å; V235-S237 PolarHBondContact O-N 3.02Å; S237-I239 VanDerWaalsContact C-N 3.26Å; S237-I239 PolarHBondContact O-N 2.86Å; S237-A240 WeakPolarHBondContact O-CB 3.44Å; S237-A240 PolarHBondContact O-N 3.43Å
238	E	95.9	Very high	98	Very high	134 Å²	134	21.4 Å²	21.4	63%	0.626	11%	0.114	S	C	*	.	G	3₁₀ helix	trans	-62.3	-29.2	176.9	-48.8	97.9	-115.3	0	0	113.8	P236	P236-E238 PolarHBondContact O-N 2.79Å; P236-E238 VanDerWaalsContact O-N 3.14Å
239	I	96.8	Very high	97.9	Very high	15 Å²	15	30.5 Å²	30.5	8%	0.077	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-104.7	2.5	-177.4	65.5	171.7	0	0	0	113.1	L211 T213 I218 V235 P236 S237 P242 I243	L211-I239 HydrophobicContact CB-CD1 4.5Å; T213-I239 HydrophobicContact CG2-CD1 4.43Å; T213-I239 HydrophobicContact CG2-CG2 3.76Å; I218-I239 HydrophobicContact CD1-CD1 3.75Å; I218-I239 HydrophobicContact CG1-CD1 4.18Å; V235-I239 HydrophobicContact CB-CG1 4.24Å; P236-I239 HydrophobicContact CB-CG1 4.24Å; P236-I239 HydrophobicContact CG-CD1 4.28Å; P236-I239 HydrophobicContact CG-CG1 4.41Å; P236-I239 WeakPolarHBondContact O-CG1 3.28Å; P236-I239 PolarHBondContact O-N 3.35Å; P236-I239 VanDerWaalsContact O-N 3.1Å; S237-I239 VanDerWaalsContact C-N 3.26Å; S237-I239 PolarHBondContact O-N 2.86Å; I239-P242 WeakPolarHBondContact O-CD 3.49Å; I239-I243 HydrophobicContact CB-CD1 4.35Å; I239-I243 HydrophobicContact CD1-CD1 3.77Å; I239-I243 HydrophobicContact CG1-CD1 3.85Å; I239-I243 WeakPolarHBondContact O-CB 3.21Å; I239-I243 VanDerWaalsContact O-CG1 3.26Å; I239-I243 WeakPolarHBondContact O-CG1 3.1Å; I239-I243 PolarHBondContact O-N 2.76Å; I239-I243 VanDerWaalsContact O-N 3.07Å
240	A	98.1	Very high	97.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-65.1	-45.1	-175	0	0	0	0	0	113.5	L28 S169 V235 P236 S237 I243 A244	L28-A240 HydrophobicContact CD1-CB 4.13Å; L28-A240 HydrophobicContact CG-CB 4.43Å; S169-A240 VanDerWaalsContact CB-CB 3.47Å; S169-A240 WeakPolarHBondContact OG-CB 3.41Å; V235-A240 HydrophobicContact CG2-CB 3.95Å; P236-A240 PolarHBondContact O-N 3.07Å; S237-A240 WeakPolarHBondContact O-CB 3.44Å; S237-A240 PolarHBondContact O-N 3.43Å; A240-I243 PolarHBondContact O-N 2.81Å; A240-A244 WeakPolarHBondContact O-CB 3.05Å; A240-A244 PolarHBondContact O-N 3.38Å
241	I	98.3	Very high	97.7	Very high	52 Å²	52	37.9 Å²	37.9	27%	0.267	20%	0.196	S	C	.	.	H	α-helix	trans	-64.7	-52.4	177.3	-68.5	173.7	0	0	0	110.8	P27 L28 F31 I243 A244 E245	P27-I241 WeakPolarHBondContact O-CD1 3.28Å; L28-I241 HydrophobicContact CG-CG1 4.42Å; F31-I241 HydrophobicContact CB-CG1 4.3Å; I241-I243 VanDerWaalsContact C-N 3.26Å; I241-I243 PolarHBondContact O-N 3.15Å; I241-A244 PolarHBondContact O-N 3.13Å; I241-A244 VanDerWaalsContact O-N 3.07Å; I241-E245 HydrophobicContact CG2-CG 4.2Å; I241-E245 WeakPolarHBondContact O-CG 3.3Å; I241-E245 PolarHBondContact O-N 3.23Å
242	P	98.1	Very high	97.7	Very high	48 Å²	48	39.2 Å²	39.2	31%	0.312	21%	0.205	S	C	.	.	H	α-helix	trans	-54.9	-38.1	176.5	-29.8	36	0	0	0	114.1	L211 I239 A246	L211-P242 HydrophobicContact CD1-CB 3.59Å; L211-P242 HydrophobicContact CD2-CB 4.4Å; I239-P242 WeakPolarHBondContact O-CD 3.49Å; P242-A246 WeakPolarHBondContact O-CB 3.3Å; P242-A246 PolarHBondContact O-N 3.49Å
243	I	98.2	Very high	97.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-66.7	-46.9	174.8	-72	171.3	0	0	0	111.1	L171 L208 L211 V235 I239 A240 I241 E245 A246 L247	L171-I243 HydrophobicContact CD1-CB 4.5Å; L171-I243 HydrophobicContact CD1-CG2 3.85Å; L208-I243 HydrophobicContact CB-CD1 4.31Å; L208-I243 HydrophobicContact CD2-CD1 4.2Å; L208-I243 HydrophobicContact CD2-CG2 3.77Å; L208-I243 HydrophobicContact CG-CD1 4.49Å; L208-I243 HydrophobicContact CG-CG2 4.43Å; L211-I243 HydrophobicContact CB-CG1 4.42Å; L211-I243 HydrophobicContact CD1-CG1 3.66Å; V235-I243 HydrophobicContact CB-CD1 4.1Å; V235-I243 HydrophobicContact CG1-CD1 3.52Å; V235-I243 HydrophobicContact CG2-CD1 4.46Å; I239-I243 HydrophobicContact CB-CD1 4.35Å; I239-I243 HydrophobicContact CD1-CD1 3.77Å; I239-I243 HydrophobicContact CG1-CD1 3.85Å; I239-I243 WeakPolarHBondContact O-CB 3.21Å; I239-I243 VanDerWaalsContact O-CG1 3.26Å; I239-I243 WeakPolarHBondContact O-CG1 3.1Å; I239-I243 PolarHBondContact O-N 2.76Å; I239-I243 VanDerWaalsContact O-N 3.07Å; A240-I243 PolarHBondContact O-N 2.81Å; I241-I243 VanDerWaalsContact C-N 3.26Å; I241-I243 PolarHBondContact O-N 3.15Å; I243-E245 VanDerWaalsContact C-N 3.31Å; I243-E245 PolarHBondContact O-N 3.49Å; I243-A246 WeakPolarHBondContact O-CB 3.49Å; I243-A246 PolarHBondContact O-N 2.77Å; I243-L247 HydrophobicContact CG2-CD1 3.97Å; I243-L247 WeakPolarHBondContact O-CG 3.29Å; I243-L247 PolarHBondContact O-N 2.9Å
244	A	98.5	Very high	97.6	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-59.9	-42.6	177.5	0	0	0	0	0	111.7	L28 F31 L69 L171 A240 I241 L247 V248	L28-A244 HydrophobicContact CD2-CB 3.49Å; L28-A244 VanDerWaalsContact CD2-CB 3.49Å; F31-A244 HydrophobicContact CD2-CB 4.36Å; F31-A244 HydrophobicContact CE1-CB 4.34Å; F31-A244 HydrophobicContact CE2-CB 4.08Å; F31-A244 HydrophobicContact CZ-CB 4.08Å; L69-A244 HydrophobicContact CD2-CB 3.94Å; L171-A244 HydrophobicContact CD1-CB 4.39Å; A240-A244 WeakPolarHBondContact O-CB 3.05Å; A240-A244 PolarHBondContact O-N 3.38Å; I241-A244 PolarHBondContact O-N 3.13Å; I241-A244 VanDerWaalsContact O-N 3.07Å; A244-L247 PolarHBondContact O-N 3.35Å; A244-V248 WeakPolarHBondContact O-CG2 3.23Å; A244-V248 PolarHBondContact O-N 2.8Å
245	E	98	Very high	97.6	Very high	90 Å²	90	42.3 Å²	42.3	42%	0.421	22%	0.219	S	C	.	.	H	α-helix	trans	-64.9	-37.6	174.7	-70.8	-179.8	162.4	0	0	113	F31 I241 I243 R249	F31-E245 HydrophobicContact CD2-CG 4.03Å; F31-E245 HydrophobicContact CE2-CG 4.02Å; I241-E245 HydrophobicContact CG2-CG 4.2Å; I241-E245 WeakPolarHBondContact O-CG 3.3Å; I241-E245 PolarHBondContact O-N 3.23Å; I243-E245 VanDerWaalsContact C-N 3.31Å; I243-E245 PolarHBondContact O-N 3.49Å; E245-R249 WeakPolarHBondContact O-CG 3.38Å; E245-R249 PolarHBondContact O-N 3.47Å; E245-R249 PolarHBondContact O-NE 3.36Å
246	A	97.8	Very high	97.6	Very high	11 Å²	11	42.5 Å²	42.5	9%	0.091	22%	0.22	C	C	.	.	H	α-helix	trans	-62.3	-43.2	172.4	0	0	0	0	0	111.7	Y209 P242 I243	Y209-A246 HydrophobicContact CD1-CB 4.27Å; Y209-A246 HydrophobicContact CD2-CB 4.01Å; Y209-A246 HydrophobicContact CG-CB 3.88Å; P242-A246 WeakPolarHBondContact O-CB 3.3Å; P242-A246 PolarHBondContact O-N 3.49Å; I243-A246 WeakPolarHBondContact O-CB 3.49Å; I243-A246 PolarHBondContact O-N 2.77Å
247	L	98.2	Very high	97.7	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65.4	-52.5	178.8	-71.4	166.9	0	0	0	111.9	L69 L173 V181 Y209 I233 I243 A244 R249 N250 V253	L69-L247 HydrophobicContact CD1-CD1 3.84Å; L69-L247 HydrophobicContact CD2-CB 4.19Å; L69-L247 HydrophobicContact CD2-CD1 4.28Å; L173-L247 HydrophobicContact CD2-CD2 4.03Å; V181-L247 HydrophobicContact CG1-CD2 3.7Å; Y209-L247 HydrophobicContact CE2-CD2 3.6Å; Y209-L247 HydrophobicContact CE2-CG 4.05Å; I233-L247 HydrophobicContact CD1-CD1 4.3Å; I243-L247 HydrophobicContact CG2-CD1 3.97Å; I243-L247 WeakPolarHBondContact O-CG 3.29Å; I243-L247 PolarHBondContact O-N 2.9Å; A244-L247 PolarHBondContact O-N 3.35Å; L247-R249 PolarHBondContact O-N 3.32Å; L247-R249 VanDerWaalsContact O-N 3.13Å; L247-N250 WeakPolarHBondContact O-CB 3.35Å; L247-N250 PolarHBondContact O-N 2.94Å; L247-V253 HydrophobicContact CB-CG1 4.37Å; L247-V253 WeakPolarHBondContact O-CB 3.33Å; L247-V253 VanDerWaalsContact O-CG2 3.3Å; L247-V253 WeakPolarHBondContact O-CG2 3.23Å
248	V	97.1	Very high	97.7	Very high	34 Å²	34	42.3 Å²	42.3	21%	0.206	22%	0.218	C	C	.	.	H	α-helix	trans	-71	-7.8	-176	-57.9	0	0	0	0	114.4	F31 L69 A244 V253	F31-V248 HydrophobicContact CE2-CG2 4.12Å; F31-V248 HydrophobicContact CZ-CG1 3.97Å; F31-V248 HydrophobicContact CZ-CG2 4.12Å; L69-V248 HydrophobicContact CD2-CG1 3.81Å; A244-V248 WeakPolarHBondContact O-CG2 3.23Å; A244-V248 PolarHBondContact O-N 2.8Å; V248-V253 HydrophobicContact CG1-CG1 4.12Å
249	R	96.7	Very high	97.8	Very high	195 Å²	195	36.8 Å²	36.8	74%	0.736	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-22.9	168.2	-84.3	-177.5	-78	-170.6	-2	112.7	E245 L247	E245-R249 WeakPolarHBondContact O-CG 3.38Å; E245-R249 PolarHBondContact O-N 3.47Å; E245-R249 PolarHBondContact O-NE 3.36Å; L247-R249 PolarHBondContact O-N 3.32Å; L247-R249 VanDerWaalsContact O-N 3.13Å
250	N	97.1	Very high	97.8	Very high	57 Å²	57	36.1 Å²	36.1	31%	0.305	19%	0.192	S	C	.	.	S	Bend	trans	-76.8	127.1	172.3	-171.9	-43.8	0	0	0	109.5	L247 S252 V253	L247-N250 WeakPolarHBondContact O-CB 3.35Å; L247-N250 PolarHBondContact O-N 2.94Å; N250-S252 PolarHBondContact O-N 2.99Å; N250-S252 VanDerWaalsContact O-N 3.12Å; N250-S252 WeakPolarHBondContact OD1-CB 3.42Å; N250-S252 PolarHBondContact OD1-N 2.91Å; N250-V253 HydrophobicContact CB-CG2 3.89Å; N250-V253 WeakPolarHBondContact O-CB 3.3Å; N250-V253 PolarHBondContact O-N 3.32Å
251	S	96.4	Very high	97.8	Very high	113 Å²	113	37.4 Å²	37.4	79%	0.79	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-19.9	-178	54	0	0	0	0	114.4	V253	S251-V253 PolarHBondContact O-N 3.44Å
252	S	97.8	Very high	97.8	Very high	28 Å²	28	37.4 Å²	37.4	20%	0.196	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-2.4	172.5	-75.4	0	0	0	0	113.3	F62 H66 C67 D177 N250	F62-S252 WeakPolarHBondContact CE1-O 3.21Å; H66-S252 WeakPolarHBondContact CB-O 3.43Å; C67-S252 PolarHBondContact N-O 2.81Å; C67-S252 VanDerWaalsContact O-O 3.13Å; C67-S252 PolarHBondContact SG-O 3.4Å; D177-S252 VanDerWaalsContact OD2-CB 3.24Å; D177-S252 WeakPolarHBondContact OD2-CB 3.41Å; D177-S252 PolarHBondContact OD2-OG 3.38Å; N250-S252 PolarHBondContact O-N 2.99Å; N250-S252 VanDerWaalsContact O-N 3.12Å; N250-S252 WeakPolarHBondContact OD1-CB 3.42Å; N250-S252 PolarHBondContact OD1-N 2.91Å
253	V	98.5	Very high	97.8	Very high	6 Å²	6	35.5 Å²	35.5	4%	0.036	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	131.2	-178.2	-173.9	0	0	0	0	110	C67 L69 L173 V181 L247 V248 N250 S251	C67-V253 WeakPolarHBondContact O-CA 3.43Å; C67-V253 WeakPolarHBondContact SG-CG2 3.26Å; L69-V253 HydrophobicContact CB-CG1 3.96Å; L173-V253 HydrophobicContact CD1-CG1 4.06Å; L173-V253 HydrophobicContact CD1-CG2 4.36Å; V181-V253 HydrophobicContact CB-CG2 4.31Å; V181-V253 HydrophobicContact CG1-CG2 3.56Å; V181-V253 HydrophobicContact CG2-CG2 3.83Å; L247-V253 HydrophobicContact CB-CG1 4.37Å; L247-V253 WeakPolarHBondContact O-CB 3.33Å; L247-V253 VanDerWaalsContact O-CG2 3.3Å; L247-V253 WeakPolarHBondContact O-CG2 3.23Å; V248-V253 HydrophobicContact CG1-CG1 4.12Å; N250-V253 HydrophobicContact CB-CG2 3.89Å; N250-V253 WeakPolarHBondContact O-CB 3.3Å; N250-V253 PolarHBondContact O-N 3.32Å; S251-V253 PolarHBondContact O-N 3.44Å
254	K	98.1	Very high	97.9	Very high	73 Å²	73	35.5 Å²	35.5	32%	0.317	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	146.4	166	-75.3	-176	-178.1	-175.9	0	111.1	F62 C67 G68 L69 I256	F62-K254 HydrophobicContact CD1-CB 3.9Å; F62-K254 HydrophobicContact CD1-CD 4.01Å; F62-K254 HydrophobicContact CD1-CG 4.05Å; F62-K254 HydrophobicContact CD2-CD 3.82Å; F62-K254 HydrophobicContact CE1-CB 3.7Å; F62-K254 HydrophobicContact CE1-CD 3.92Å; F62-K254 HydrophobicContact CE1-CG 3.59Å; F62-K254 HydrophobicContact CE2-CD 3.72Å; F62-K254 HydrophobicContact CE2-CG 4.11Å; F62-K254 HydrophobicContact CG-CD 3.96Å; F62-K254 HydrophobicContact CZ-CB 4.27Å; F62-K254 HydrophobicContact CZ-CD 3.78Å; F62-K254 HydrophobicContact CZ-CG 3.62Å; C67-K254 PolarHBondContact O-N 3.47Å; G68-K254 CarbonylContact C-O 3.59Å; G68-K254 WeakPolarHBondContact CA-O 3.46Å; L69-K254 PolarHBondContact N-O 3.36Å; K254-I256 HydrophobicContact CB-CD1 4.16Å; K254-I256 WeakPolarHBondContact O-CG1 3.28Å
255	P	98.3	Very high	97.9	Very high	9 Å²	9	35.7 Å²	35.7	6%	0.058	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	134.3	167.9	33.1	-35.5	0	0	0	109.4	F31 Q35 Y51 Q54 L69	F31-P255 HydrophobicContact CE1-CB 4.36Å; Q35-P255 HydrophobicContact CB-CG 4.48Å; Q35-P255 HydrophobicContact CG-CG 4.37Å; Y51-P255 HydrophobicContact CD1-CB 4.36Å; Y51-P255 HydrophobicContact CD1-CG 4.04Å; Y51-P255 HydrophobicContact CD2-CB 4.28Å; Y51-P255 HydrophobicContact CD2-CG 4.32Å; Y51-P255 VanDerWaalsContact CD2-O 3.22Å; Y51-P255 WeakPolarHBondContact CD2-O 3.37Å; Y51-P255 HydrophobicContact CE1-CB 3.85Å; Y51-P255 HydrophobicContact CE1-CG 3.99Å; Y51-P255 VanDerWaalsContact CE2-C 3.46Å; Y51-P255 HydrophobicContact CE2-CB 3.79Å; Y51-P255 HydrophobicContact CE2-CG 4.3Å; Y51-P255 WeakPolarHBondContact CE2-O 3.48Å; Y51-P255 HydrophobicContact CG-CG 4.22Å; Q54-P255 PolarHBondContact NE2-O 3.28Å; L69-P255 CarbonylContact O-C 3.3Å; L69-P255 WeakPolarHBondContact O-CA 3.48Å
256	I	98.6	Very high	97.9	Very high	3 Å²	3	31.4 Å²	31.4	2%	0.015	17%	0.165	C	C	.	.			trans	-124.3	131.5	-174.1	-54.4	-63.5	0	0	0	110.9	V63 G68 L69 F70 K254 A260	V63-I256 HydrophobicContact CG2-CB 4.46Å; V63-I256 HydrophobicContact CG2-CD1 3.99Å; V63-I256 HydrophobicContact CG2-CG1 3.65Å; V63-I256 HydrophobicContact CG2-CG2 4.25Å; G68-I256 VanDerWaalsContact CA-CG1 3.41Å; L69-I256 PolarHBondContact O-N 3.07Å; F70-I256 HydrophobicContact CD1-CB 3.93Å; F70-I256 HydrophobicContact CD1-CG2 4.03Å; F70-I256 WeakPolarHBondContact CD1-O 3.32Å; F70-I256 HydrophobicContact CD2-CB 4.44Å; F70-I256 HydrophobicContact CE1-CB 3.56Å; F70-I256 HydrophobicContact CE1-CG2 3.23Å; F70-I256 HydrophobicContact CE2-CB 4.07Å; F70-I256 HydrophobicContact CE2-CG1 4.38Å; F70-I256 HydrophobicContact CE2-CG2 4.34Å; F70-I256 HydrophobicContact CG-CB 4.38Å; F70-I256 HydrophobicContact CZ-CB 3.63Å; F70-I256 HydrophobicContact CZ-CG1 4.21Å; F70-I256 HydrophobicContact CZ-CG2 3.43Å; F70-I256 VanDerWaalsContact CZ-CG2 3.43Å; K254-I256 HydrophobicContact CB-CD1 4.16Å; K254-I256 WeakPolarHBondContact O-CG1 3.28Å; I256-A260 HydrophobicContact CG2-CB 3.49Å; I256-A260 VanDerWaalsContact CG2-CB 3.49Å
257	G	97.9	Very high	98	Very high	2 Å²	2	30.9 Å²	30.9	2%	0.021	16%	0.161	C	C	.	.			trans	-87.6	172.4	-176.6	0	0	0	0	0	114.8	P48 L49 A259 A260 R261	P48-G257 CarbonylContact O-C 3.5Å; P48-G257 VanDerWaalsContact O-CA 3.28Å; P48-G257 WeakPolarHBondContact O-CA 3.43Å; L49-G257 CarbonylContact O-C 3.01Å; L49-G257 WeakPolarHBondContact O-CA 3.39Å; G257-A259 VanDerWaalsContact C-N 3.26Å; G257-A259 PolarHBondContact O-N 2.77Å; G257-A260 PolarHBondContact O-N 2.93Å; G257-R261 PolarHBondContact O-N 3.2Å; G257-R261 VanDerWaalsContact O-N 3.16Å
258	L	97.6	Very high	98	Very high	19 Å²	19	31.1 Å²	31.1	10%	0.099	16%	0.163	C	C	.	.	H	α-helix	trans	-57.3	-33.6	-177.2	-68.9	173.9	0	0	0	114.1	I40 F42 M47 P48 L49 R261 D262	I40-L258 HydrophobicContact CD1-CD1 4.15Å; I40-L258 HydrophobicContact CG1-CD1 4.36Å; F42-L258 HydrophobicContact CB-CD1 3.51Å; F42-L258 HydrophobicContact CD1-CD1 3.73Å; F42-L258 HydrophobicContact CD1-CD2 4.09Å; F42-L258 HydrophobicContact CD2-CD1 3.85Å; F42-L258 HydrophobicContact CE1-CD1 4.4Å; F42-L258 HydrophobicContact CE1-CD2 4.04Å; F42-L258 HydrophobicContact CG-CD1 3.41Å; F42-L258 VanDerWaalsContact CG-CD1 3.41Å; F42-L258 HydrophobicContact CZ-CD2 4.43Å; M47-L258 HydrophobicContact CB-CD1 3.53Å; M47-L258 HydrophobicContact CB-CG 4.31Å; M47-L258 HydrophobicContact CG-CD1 4.39Å; P48-L258 PolarHBondContact O-N 2.83Å; L49-L258 PolarHBondContact O-N 3.5Å; L258-R261 WeakPolarHBondContact O-CB 3.48Å; L258-R261 PolarHBondContact O-N 3.07Å; L258-D262 PolarHBondContact O-N 2.95Å
259	A	97.3	Very high	98	Very high	17 Å²	17	30.1 Å²	30.1	14%	0.14	16%	0.159	C	C	.	.	H	α-helix	trans	-65	-43.1	-178.8	0	0	0	0	0	112	L49 I56 G257 D262 T263	L49-A259 HydrophobicContact CD1-CB 3.77Å; L49-A259 HydrophobicContact CG-CB 4.26Å; L49-A259 WeakPolarHBondContact O-CB 3.39Å; L49-A259 PolarHBondContact O-N 3.35Å; L49-A259 VanDerWaalsContact O-N 3.08Å; I56-A259 HydrophobicContact CB-CB 4.47Å; I56-A259 HydrophobicContact CD1-CB 3.64Å; I56-A259 HydrophobicContact CG1-CB 3.63Å; I56-A259 HydrophobicContact CG2-CB 4.05Å; G257-A259 VanDerWaalsContact C-N 3.26Å; G257-A259 PolarHBondContact O-N 2.77Å; A259-D262 PolarHBondContact O-N 3.02Å; A259-T263 PolarHBondContact O-N 2.78Å
260	A	98.2	Very high	98.1	Very high	2 Å²	2	22.7 Å²	22.7	2%	0.017	13%	0.134	C	C	.	.	H	α-helix	trans	-70.7	-37.7	175.9	0	0	0	0	0	111	I256 G257 D262 T263 L264	I256-A260 HydrophobicContact CG2-CB 3.49Å; I256-A260 VanDerWaalsContact CG2-CB 3.49Å; G257-A260 PolarHBondContact O-N 2.93Å; A260-D262 VanDerWaalsContact C-N 3.28Å; A260-D262 PolarHBondContact O-N 3.49Å; A260-T263 PolarHBondContact O-N 2.98Å; A260-T263 VanDerWaalsContact O-N 3.16Å; A260-T263 PolarHBondContact O-OG1 3.49Å; A260-L264 WeakPolarHBondContact O-CD1 3.45Å; A260-L264 WeakPolarHBondContact O-CG 3.43Å; A260-L264 PolarHBondContact O-N 3Å
261	R	98.4	Very high	98.2	Very high	27 Å²	27	20.4 Å²	20.4	10%	0.102	12%	0.122	C	C	.	.	H	α-helix	trans	-52.2	-46.5	171.9	-172.8	-178.8	175.6	87	-3.6	111.7	F70 Y225 G257 L258 L264 R265	F70-R261 HydrophobicContact CD1-CB 4.03Å; F70-R261 HydrophobicContact CD1-CG 4.35Å; F70-R261 HydrophobicContact CE1-CB 3.73Å; F70-R261 HydrophobicContact CE1-CG 4.28Å; Y225-R261 HydrophobicContact CD1-CG 4.13Å; G257-R261 PolarHBondContact O-N 3.2Å; G257-R261 VanDerWaalsContact O-N 3.16Å; L258-R261 WeakPolarHBondContact O-CB 3.48Å; L258-R261 PolarHBondContact O-N 3.07Å; R261-L264 PolarHBondContact O-N 3.31Å; R261-R265 WeakPolarHBondContact O-CG 3.22Å; R261-R265 PolarHBondContact O-N 2.88Å
262	D	98	Very high	98.3	Very high	51 Å²	51	17 Å²	17	27%	0.273	10%	0.095	S	C	.	.	H	α-helix	trans	-66.2	-37.2	-179.9	-171.2	52.4	0	0	0	112.9	L258 A259 A260 R265 L266	L258-D262 PolarHBondContact O-N 2.95Å; A259-D262 PolarHBondContact O-N 3.02Å; A260-D262 VanDerWaalsContact C-N 3.28Å; A260-D262 PolarHBondContact O-N 3.49Å; D262-R265 WeakPolarHBondContact O-CG 3.44Å; D262-R265 IonicContact OD1-CZ 3.78Å; D262-R265 VanDerWaalsContact OD1-CZ 3.27Å; D262-R265 IonicContact OD1-NE 3.84Å; D262-R265 PolarHBondContact OD1-NE 3.07Å; D262-R265 IonicContact OD1-NH2 3.34Å; D262-R265 PolarHBondContact OD1-NH2 3.23Å; D262-L266 WeakPolarHBondContact O-CB 3.27Å; D262-L266 PolarHBondContact O-N 2.69Å
263	T	98.4	Very high	98.3	Very high	9 Å²	9	17 Å²	17	6%	0.055	9%	0.091	C	C	.	.	H	α-helix	trans	-68.9	-41	175	60.7	0	0	0	0	112.7	I56 H60 A259 A260 L266 E267 C357	I56-T263 HydrophobicContact CG2-CG2 4.09Å; H60-T263 WeakPolarHBondContact ND1-CB 3.49Å; H60-T263 PolarHBondContact ND1-OG1 2.73Å; A259-T263 PolarHBondContact O-N 2.78Å; A260-T263 PolarHBondContact O-N 2.98Å; A260-T263 VanDerWaalsContact O-N 3.16Å; A260-T263 PolarHBondContact O-OG1 3.49Å; T263-L266 PolarHBondContact O-N 3.14Å; T263-E267 WeakPolarHBondContact O-CG 3.48Å; T263-E267 PolarHBondContact O-N 2.82Å; T263-C357 HydrophobicContact CG2-CB 4.31Å
264	L	98.8	Very high	98.2	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-66.3	-47.8	-178.8	-72.7	160.5	0	0	0	111.8	V63 R64 F70 T226 A260 R261 L266 E267 A268	V63-L264 HydrophobicContact CB-CD1 3.84Å; V63-L264 HydrophobicContact CB-CD2 4.19Å; V63-L264 HydrophobicContact CG1-CD1 3.75Å; V63-L264 HydrophobicContact CG1-CD2 4.09Å; V63-L264 HydrophobicContact CG2-CD1 3.95Å; R64-L264 HydrophobicContact CG-CD2 4.17Å; F70-L264 HydrophobicContact CE1-CD1 4.44Å; F70-L264 HydrophobicContact CZ-CD1 3.75Å; T226-L264 HydrophobicContact CG2-CB 4.29Å; T226-L264 HydrophobicContact CG2-CD1 4.1Å; A260-L264 WeakPolarHBondContact O-CD1 3.45Å; A260-L264 WeakPolarHBondContact O-CG 3.43Å; A260-L264 PolarHBondContact O-N 3Å; R261-L264 PolarHBondContact O-N 3.31Å; L264-L266 VanDerWaalsContact C-N 3.3Å; L264-L266 PolarHBondContact O-N 2.73Å; L264-E267 PolarHBondContact O-N 3.21Å; L264-A268 WeakPolarHBondContact O-CB 3.14Å; L264-A268 PolarHBondContact O-N 2.86Å
265	R	98.7	Very high	98.1	Very high	3 Å²	3	17.6 Å²	17.6	1%	0.011	11%	0.113	C	C	.	.	H	α-helix	trans	-63.4	-38.5	178.4	73.7	87.1	-171.2	-178.6	-8.4	111.7	Y225 R261 D262 A268 G269 L270 D276 S355	Y225-R265 HydrophobicContact CD1-CB 3.45Å; Y225-R265 VanDerWaalsContact CD1-CB 3.45Å; Y225-R265 HydrophobicContact CD1-CG 4.01Å; Y225-R265 HydrophobicContact CD2-CB 4.33Å; Y225-R265 HydrophobicContact CE1-CB 3.25Å; Y225-R265 HydrophobicContact CE1-CG 3.37Å; Y225-R265 HydrophobicContact CE2-CB 4.16Å; Y225-R265 HydrophobicContact CG-CB 4Å; Y225-R265 WeakPolarHBondContact O-CA 3.34Å; Y225-R265 VanDerWaalsContact O-CB 3.29Å; Y225-R265 WeakPolarHBondContact O-CB 3.46Å; Y225-R265 WeakPolarHBondContact OH-CD 3.47Å; R261-R265 WeakPolarHBondContact O-CG 3.22Å; R261-R265 PolarHBondContact O-N 2.88Å; D262-R265 WeakPolarHBondContact O-CG 3.44Å; D262-R265 IonicContact OD1-CZ 3.78Å; D262-R265 VanDerWaalsContact OD1-CZ 3.27Å; D262-R265 IonicContact OD1-NE 3.84Å; D262-R265 PolarHBondContact OD1-NE 3.07Å; D262-R265 IonicContact OD1-NH2 3.34Å; D262-R265 PolarHBondContact OD1-NH2 3.23Å; R265-A268 CarbonylContact O-C 3.48Å; R265-A268 PolarHBondContact O-N 3.41Å; R265-G269 PolarHBondContact O-N 2.95Å; R265-G269 VanDerWaalsContact O-N 3.13Å; R265-L270 HydrophobicContact CB-CB 4.22Å; R265-L270 HydrophobicContact CB-CD1 4.43Å; R265-L270 VanDerWaalsContact CD-O 3.24Å; R265-L270 WeakPolarHBondContact CD-O 3.48Å; R265-L270 PolarHBondContact NH1-O 3.08Å; R265-L270 PolarHBondContact O-N 3.13Å; R265-D276 IonicContact CZ-OD2 3.27Å; R265-D276 IonicContact NH1-OD2 3.02Å; R265-D276 PolarHBondContact NH1-OD2 2.97Å; R265-D276 IonicContact NH2-OD2 2.94Å; R265-S355 PolarHBondContact NH1-OG 3.08Å; R265-S355 VanDerWaalsContact NH2-CB 3.3Å; R265-S355 PolarHBondContact NH2-OG 3.08Å
266	L	98.7	Very high	98.2	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-68.9	-44.5	-177.9	-177.7	52.4	0	0	0	109.9	D262 T263 L264 A268 G269 C357 I366 M368 F400	D262-L266 WeakPolarHBondContact O-CB 3.27Å; D262-L266 PolarHBondContact O-N 2.69Å; T263-L266 PolarHBondContact O-N 3.14Å; L264-L266 VanDerWaalsContact C-N 3.3Å; L264-L266 PolarHBondContact O-N 2.73Å; L266-A268 VanDerWaalsContact C-N 3.26Å; L266-A268 PolarHBondContact O-N 2.99Å; L266-G269 PolarHBondContact O-N 3.13Å; L266-C357 HydrophobicContact CD2-CB 4.26Å; L266-I366 HydrophobicContact CB-CD1 4.36Å; L266-I366 HydrophobicContact CD2-CD1 4.45Å; L266-I366 HydrophobicContact CD2-CG1 4.23Å; L266-I366 HydrophobicContact CG-CD1 3.84Å; L266-I366 HydrophobicContact CG-CG1 4.11Å; L266-M368 HydrophobicContact CD1-CB 4.43Å; L266-M368 HydrophobicContact CD1-CE 3.75Å; L266-M368 HydrophobicContact CD1-CG 3.67Å; L266-M368 HydrophobicContact CD1-SD 4.18Å; L266-F400 HydrophobicContact CD1-CE2 4.3Å; L266-F400 WeakPolarHBondContact O-CD2 3.47Å; L266-F400 WeakPolarHBondContact O-CE2 3.23Å
267	E	98.7	Very high	98.2	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-56.7	-40.1	170.4	-80	-174.4	177.8	0	0	112.6	H60 R64 T263 L264 G269 S359 P360 T361 I366 F400 V401	H60-E267 IonicContact CE1-OE1 3.66Å; H60-E267 PolarHBondContact CE1-OE1 3.27Å; H60-E267 IonicContact CE1-OE2 3.29Å; H60-E267 PolarHBondContact CE1-OE2 2.92Å; H60-E267 IonicContact NE2-OE1 2.72Å; H60-E267 PolarHBondContact NE2-OE1 2.94Å; H60-E267 IonicContact NE2-OE2 3.97Å; H60-E267 PolarHBondContact NE2-OE2 3.47Å; R64-E267 IonicContact CZ-OE2 2.81Å; R64-E267 IonicContact NE-OE2 2.77Å; R64-E267 PolarHBondContact NE-OE2 2.81Å; R64-E267 IonicContact NH2-OE2 2.76Å; R64-E267 PolarHBondContact NH2-OE2 3.37Å; T263-E267 WeakPolarHBondContact O-CG 3.48Å; T263-E267 PolarHBondContact O-N 2.82Å; L264-E267 PolarHBondContact O-N 3.21Å; E267-G269 PolarHBondContact O-N 3.13Å; E267-S359 WeakPolarHBondContact OE1-CA 3.16Å; E267-S359 VanDerWaalsContact OE1-CB 3.31Å; E267-S359 WeakPolarHBondContact OE1-CB 3.4Å; E267-S359 PolarHBondContact OE1-OG 3.08Å; E267-P360 WeakPolarHBondContact OE1-CD 3.38Å; E267-T361 VanDerWaalsContact OE1-CB 3.25Å; E267-T361 WeakPolarHBondContact OE1-CB 3.39Å; E267-T361 PolarHBondContact OE1-N 2.99Å; E267-T361 VanDerWaalsContact OE1-N 3.08Å; E267-T361 PolarHBondContact OE1-OG1 3.47Å; E267-T361 WeakPolarHBondContact OE2-CB 3.35Å; E267-T361 PolarHBondContact OE2-OG1 3.22Å; E267-I366 HydrophobicContact CB-CD1 4.23Å; E267-I366 HydrophobicContact CG-CD1 3.58Å; E267-F400 PolarHBondContact O-N 2.91Å; E267-V401 HydrophobicContact CB-CB 4.19Å; E267-V401 HydrophobicContact CB-CG2 3.89Å; E267-V401 HydrophobicContact CG-CG2 3.93Å; E267-V401 PolarHBondContact O-N 3.33Å
268	A	98.7	Very high	98.2	Very high	6 Å²	6	18.5 Å²	18.5	5%	0.05	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	2.9	176.4	0	0	0	0	0	114.1	L264 R265 L266 L270 P399 T403	L264-A268 WeakPolarHBondContact O-CB 3.14Å; L264-A268 PolarHBondContact O-N 2.86Å; R265-A268 CarbonylContact O-C 3.48Å; R265-A268 PolarHBondContact O-N 3.41Å; L266-A268 VanDerWaalsContact C-N 3.26Å; L266-A268 PolarHBondContact O-N 2.99Å; A268-L270 VanDerWaalsContact C-N 3.26Å; A268-L270 HydrophobicContact CB-CD1 4Å; A268-L270 HydrophobicContact CB-CG 3.88Å; A268-L270 PolarHBondContact O-N 3.02Å; A268-P399 VanDerWaalsContact C-CB 3.5Å; A268-P399 WeakPolarHBondContact O-CB 3.28Å; A268-T403 HydrophobicContact CB-CG2 4.47Å
269	G	98.4	Very high	98.2	Very high	12 Å²	12	21.5 Å²	21.5	12%	0.124	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	19.4	176.8	0	0	0	0	0	114.6	R265 L266 E267 M368	R265-G269 PolarHBondContact O-N 2.95Å; R265-G269 VanDerWaalsContact O-N 3.13Å; L266-G269 PolarHBondContact O-N 3.13Å; E267-G269 PolarHBondContact O-N 3.13Å; G269-M368 VanDerWaalsContact CA-CE 3.5Å; G269-M368 WeakPolarHBondContact O-CE 3.46Å
270	L	98.6	Very high	98.2	Very high	39 Å²	39	29.1 Å²	29.1	20%	0.204	17%	0.166	C	C	.	.			trans	-89.8	134.4	-175.6	-52.5	177.7	0	0	0	111.8	Y225 R265 A268 M368	Y225-L270 HydrophobicContact CD2-CB 4.09Å; Y225-L270 HydrophobicContact CD2-CD1 3.62Å; Y225-L270 HydrophobicContact CD2-CG 4.48Å; Y225-L270 HydrophobicContact CE2-CB 3.65Å; Y225-L270 HydrophobicContact CE2-CD1 4.1Å; Y225-L270 HydrophobicContact CG-CD1 4.2Å; R265-L270 HydrophobicContact CB-CB 4.22Å; R265-L270 HydrophobicContact CB-CD1 4.43Å; R265-L270 VanDerWaalsContact CD-O 3.24Å; R265-L270 WeakPolarHBondContact CD-O 3.48Å; R265-L270 PolarHBondContact NH1-O 3.08Å; R265-L270 PolarHBondContact O-N 3.13Å; A268-L270 VanDerWaalsContact C-N 3.26Å; A268-L270 HydrophobicContact CB-CD1 4Å; A268-L270 HydrophobicContact CB-CG 3.88Å; A268-L270 PolarHBondContact O-N 3.02Å; L270-M368 WeakPolarHBondContact O-CE 3.35Å
271	C	98.7	Very high	98.1	Very high	9 Å²	9	29.9 Å²	29.9	6%	0.061	17%	0.17	C	C	.	.			trans	-72.5	144.4	-179.7	-64.2	0	0	0	0	111.5	Y225 D276 I277 R324	Y225-C271 VanDerWaalsContact OH-C 3.23Å; Y225-C271 PolarHBondContact OH-O 3.42Å; C271-D276 HydrophobicContact CB-CB 3.98Å; C271-I277 HydrophobicContact CB-CD1 3.99Å; C271-I277 HydrophobicContact CB-CG1 4.26Å; C271-I277 HydrophobicContact CB-CG2 4.18Å; C271-R324 PolarHBondContact SG-NE 3.34Å
272	L	97.8	Very high	98.1	Very high	41 Å²	41	28.9 Å²	28.9	22%	0.215	17%	0.167	C	C	.	.			trans	-105.4	118.4	165	175.1	63.3	0	0	0	109	Y225 G274 S275 D276	Y225-L272 WeakPolarHBondContact OH-CA 3.39Å; L272-G274 PolarHBondContact O-N 3.19Å; L272-S275 PolarHBondContact O-N 3.14Å; L272-D276 PolarHBondContact N-OD2 3.09Å; L272-D276 PolarHBondContact O-N 2.77Å
273	Y	98	Very high	98.1	Very high	30 Å²	30	26.5 Å²	26.5	12%	0.118	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-56.3	137.8	175.4	-172.5	-81.2	0	0	0	111.6	I117 L118 C139 K142 S275 I277	I117-Y273 HydrophobicContact CG2-CD2 4.49Å; I117-Y273 HydrophobicContact CG2-CE2 4.28Å; I117-Y273 WeakPolarHBondContact O-CE2 3.17Å; I117-Y273 PolarHBondContact O-OH 2.74Å; L118-Y273 WeakPolarHBondContact O-CE2 3.3Å; L118-Y273 PolarHBondContact O-OH 3.09Å; C139-Y273 WeakPolarHBondContact SG-CD1 3.39Å; C139-Y273 WeakPolarHBondContact SG-CE1 3.45Å; K142-Y273 VanDerWaalsContact NZ-CZ 3.25Å; K142-Y273 PolarHBondContact NZ-OH 3.03Å; Y273-S275 PolarHBondContact O-N 3.13Å; Y273-I277 HydrophobicContact CD2-CD1 4.23Å; Y273-I277 HydrophobicContact CD2-CG1 3.94Å; Y273-I277 HydrophobicContact CG-CG1 4.49Å
274	G	96	Very high	98.1	Very high	54 Å²	54	26.4 Å²	26.4	56%	0.557	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	82	-9.7	-176.2	0	0	0	0	0	113.9	L272 I277	L272-G274 PolarHBondContact O-N 3.19Å; G274-I277 PolarHBondContact N-O 3.49Å
275	S	97.2	Very high	98.1	Very high	36 Å²	36	27.9 Å²	27.9	25%	0.252	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-62.6	168.2	-63.1	0	0	0	0	111	L272 Y273 T354	L272-S275 PolarHBondContact O-N 3.14Å; Y273-S275 PolarHBondContact O-N 3.13Å; S275-T354 WeakPolarHBondContact O-CB 3.33Å; S275-T354 VanDerWaalsContact O-CG2 3.28Å; S275-T354 WeakPolarHBondContact O-CG2 3.44Å
276	D	98.6	Very high	98	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-14.1	-171.7	-51.3	-57.4	0	0	0	113.9	R265 C271 L272 T354 S355 M368 Y370	R265-D276 IonicContact CZ-OD2 3.27Å; R265-D276 IonicContact NH1-OD2 3.02Å; R265-D276 PolarHBondContact NH1-OD2 2.97Å; R265-D276 IonicContact NH2-OD2 2.94Å; C271-D276 HydrophobicContact CB-CB 3.98Å; L272-D276 PolarHBondContact N-OD2 3.09Å; L272-D276 PolarHBondContact O-N 2.77Å; D276-T354 VanDerWaalsContact OD1-CB 3.24Å; D276-T354 WeakPolarHBondContact OD1-CB 3.46Å; D276-T354 PolarHBondContact OD1-OG1 3.34Å; D276-S355 VanDerWaalsContact OD1-CB 3.26Å; D276-S355 WeakPolarHBondContact OD1-CB 3.42Å; D276-S355 PolarHBondContact OD1-OG 3.34Å; D276-S355 PolarHBondContact OD2-OG 2.76Å; D276-M368 HydrophobicContact CB-SD 4.27Å; D276-Y370 VanDerWaalsContact O-CE2 3.25Å; D276-Y370 WeakPolarHBondContact O-CE2 3.15Å; D276-Y370 PolarHBondContact O-OH 2.8Å
277	I	98.6	Very high	98	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-146.2	147.3	176.9	56.6	-177.8	0	0	0	109	I117 D120 C271 Y273 G274 T281 A286 L288	I117-I277 HydrophobicContact CD1-CB 3.97Å; I117-I277 HydrophobicContact CD1-CG2 3.86Å; I117-I277 HydrophobicContact CG2-CD1 4.26Å; D120-I277 HydrophobicContact CB-CD1 3.71Å; C271-I277 HydrophobicContact CB-CD1 3.99Å; C271-I277 HydrophobicContact CB-CG1 4.26Å; C271-I277 HydrophobicContact CB-CG2 4.18Å; Y273-I277 HydrophobicContact CD2-CD1 4.23Å; Y273-I277 HydrophobicContact CD2-CG1 3.94Å; Y273-I277 HydrophobicContact CG-CG1 4.49Å; G274-I277 PolarHBondContact N-O 3.49Å; I277-T281 WeakPolarHBondContact CA-OG1 3.35Å; I277-A286 HydrophobicContact CG2-CB 3.62Å; I277-L288 HydrophobicContact CG2-CD1 4.1Å
278	S	97.8	Very high	97.9	Very high	32 Å²	32	30.1 Å²	30.1	22%	0.224	18%	0.176	C	C	.	.			trans	-157.1	-179.9	179.6	71.9	0	0	0	0	110.7	I117 E280 T281	I117-S278 PolarHBondContact N-O 3.06Å; I117-S278 CarbonylContact O-C 3.47Å; I117-S278 VanDerWaalsContact O-O 3.13Å; S278-E280 PolarHBondContact O-N 2.82Å; S278-E280 VanDerWaalsContact O-N 3.12Å; S278-E280 PolarHBondContact OG-N 3.42Å; S278-T281 PolarHBondContact N-OG1 3.28Å; S278-T281 PolarHBondContact O-N 2.9Å; S278-T281 PolarHBondContact O-OG1 3.18Å
279	E	98.1	Very high	97.9	Very high	82 Å²	82	31.5 Å²	31.5	38%	0.383	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-13.2	174.4	-69.6	169.8	-147	0	0	113.3	L112 G116 I117 L118 K142	L112-E279 HydrophobicContact CD1-CB 3.78Å; L112-E279 HydrophobicContact CD1-CG 3.76Å; G116-E279 VanDerWaalsContact CA-O 3.27Å; G116-E279 WeakPolarHBondContact CA-O 3.22Å; I117-E279 VanDerWaalsContact O-CA 3.32Å; I117-E279 WeakPolarHBondContact O-CA 3.11Å; I117-E279 PolarHBondContact O-N 3.19Å; L118-E279 HydrophobicContact CD1-CG 4.15Å; L118-E279 WeakPolarHBondContact CD1-OE1 3.28Å; K142-E279 IonicContact NZ-OE1 3.59Å; K142-E279 PolarHBondContact NZ-OE1 2.84Å
280	E	97.1	Very high	97.8	Very high	176 Å²	176	38.7 Å²	38.7	82%	0.822	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-11.6	176.7	-61.5	175.7	-178.6	0	0	112.8	S278	S278-E280 PolarHBondContact O-N 2.82Å; S278-E280 VanDerWaalsContact O-N 3.12Å; S278-E280 PolarHBondContact OG-N 3.42Å
281	T	97.7	Very high	97.7	Very high	18 Å²	18	37.1 Å²	37.1	11%	0.11	20%	0.2	C	C	.	.			trans	-110.1	132.3	-176	62.3	0	0	0	0	110.8	G116 I117 I277 S278 Y370	G116-T281 WeakPolarHBondContact CA-O 3.41Å; I117-T281 WeakPolarHBondContact CG1-O 3.41Å; I117-T281 PolarHBondContact N-O 3.45Å; I277-T281 WeakPolarHBondContact CA-OG1 3.35Å; S278-T281 PolarHBondContact N-OG1 3.28Å; S278-T281 PolarHBondContact O-N 2.9Å; S278-T281 PolarHBondContact O-OG1 3.18Å; T281-Y370 HydrophobicContact CG2-CE1 4.12Å; T281-Y370 HydrophobicContact CG2-CE2 4.32Å
282	T	98.2	Very high	97.6	Very high	7 Å²	7	36.8 Å²	36.8	4%	0.043	20%	0.198	C	C	.	.			trans	-82.9	161.4	171.1	80.5	0	0	0	0	111.7	G115 V284 E285 A286 I309 Q313	G115-T282 WeakPolarHBondContact O-CA 3.42Å; T282-V284 PolarHBondContact O-N 3.27Å; T282-V284 VanDerWaalsContact O-N 3.15Å; T282-V284 PolarHBondContact OG1-N 3.21Å; T282-E285 PolarHBondContact N-OE2 2.91Å; T282-E285 PolarHBondContact O-N 3.06Å; T282-E285 PolarHBondContact OG1-N 3.5Å; T282-A286 WeakPolarHBondContact O-CB 3.43Å; T282-A286 PolarHBondContact O-N 2.78Å; T282-I309 HydrophobicContact CG2-CG2 4.42Å; T282-Q313 VanDerWaalsContact CB-OE1 3.3Å; T282-Q313 PolarHBondContact OG1-OE1 3.09Å
283	P	98.2	Very high	97.4	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-25.4	172.2	-24.9	35	0	0	0	113.5	V109 L111 G115 I117 L288 S289 I292 I310	V109-P283 HydrophobicContact CG2-CG 3.92Å; L111-P283 HydrophobicContact CD2-CG 3.74Å; G115-P283 WeakPolarHBondContact O-CD 3.15Å; I117-P283 HydrophobicContact CD1-CG 4.22Å; I117-P283 HydrophobicContact CG1-CG 3.98Å; P283-L288 HydrophobicContact CB-CB 4.32Å; P283-L288 CarbonylContact O-C 3.46Å; P283-L288 VanDerWaalsContact O-C 3.26Å; P283-L288 VanDerWaalsContact O-CA 3.24Å; P283-L288 WeakPolarHBondContact O-CA 3.41Å; P283-L288 WeakPolarHBondContact O-CB 3.11Å; P283-L288 PolarHBondContact O-N 2.92Å; P283-S289 PolarHBondContact O-N 3.29Å; P283-I292 HydrophobicContact CB-CD1 4.18Å; P283-I292 HydrophobicContact CB-CG1 4.34Å; P283-I310 HydrophobicContact CG-CD1 4.43Å
284	V	97.6	Very high	97.2	Very high	8 Å²	8	41.6 Å²	41.6	5%	0.048	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-45.8	178.4	-167.9	0	0	0	0	110.6	T282 A286 S287 I292 I310 Q313 L314 L320	T282-V284 PolarHBondContact O-N 3.27Å; T282-V284 VanDerWaalsContact O-N 3.15Å; T282-V284 PolarHBondContact OG1-N 3.21Å; V284-A286 VanDerWaalsContact C-N 3.26Å; V284-A286 PolarHBondContact O-N 2.92Å; V284-S287 PolarHBondContact O-N 3.28Å; V284-S287 VanDerWaalsContact O-N 3.08Å; V284-I292 HydrophobicContact CG2-CD1 4.03Å; V284-I310 HydrophobicContact CG2-CG2 4.1Å; V284-Q313 HydrophobicContact CB-CB 4Å; V284-Q313 HydrophobicContact CG1-CB 4.06Å; V284-Q313 HydrophobicContact CG2-CB 3.95Å; V284-L314 HydrophobicContact CG1-CD2 4.3Å; V284-L314 HydrophobicContact CG2-CD2 3.85Å; V284-L314 HydrophobicContact CG2-CG 3.87Å; V284-L320 HydrophobicContact CB-CD2 4.08Å; V284-L320 HydrophobicContact CG1-CD1 3.95Å; V284-L320 HydrophobicContact CG1-CD2 3.75Å; V284-L320 HydrophobicContact CG1-CG 4.39Å
285	E	97.7	Very high	97.1	Very high	31 Å²	31	43.2 Å²	43.2	15%	0.145	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-38.1	174.5	-65.4	172.8	143.1	0	0	110.8	T282 S287 L320 K323 R324 Y370	T282-E285 PolarHBondContact N-OE2 2.91Å; T282-E285 PolarHBondContact O-N 3.06Å; T282-E285 PolarHBondContact OG1-N 3.5Å; E285-S287 PolarHBondContact O-N 3.34Å; E285-S287 VanDerWaalsContact O-N 3.12Å; E285-L320 HydrophobicContact CG-CD2 3.72Å; E285-K323 CarbonylContact O-C 3.59Å; E285-K323 WeakPolarHBondContact O-CA 3.43Å; E285-R324 PolarHBondContact O-N 2.71Å; E285-Y370 HydrophobicContact CB-CE1 4.08Å; E285-Y370 WeakPolarHBondContact O-CE1 3.03Å
286	A	98.2	Very high	97	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	4.1	175.6	0	0	0	0	0	114.6	I117 I277 T282 V284 L288 R324 Y370	I117-A286 HydrophobicContact CD1-CB 4.18Å; I277-A286 HydrophobicContact CG2-CB 3.62Å; T282-A286 WeakPolarHBondContact O-CB 3.43Å; T282-A286 PolarHBondContact O-N 2.78Å; V284-A286 VanDerWaalsContact C-N 3.26Å; V284-A286 PolarHBondContact O-N 2.92Å; A286-L288 HydrophobicContact CB-CB 4.37Å; A286-L288 HydrophobicContact CB-CD1 3.91Å; A286-L288 HydrophobicContact CB-CG 3.95Å; A286-L288 WeakPolarHBondContact O-CG 3.36Å; A286-L288 PolarHBondContact O-N 2.74Å; A286-R324 VanDerWaalsContact O-CZ 3.27Å; A286-R324 PolarHBondContact O-NE 3.05Å; A286-R324 PolarHBondContact O-NH2 3.49Å; A286-Y370 VanDerWaalsContact CA-OH 3.31Å; A286-Y370 WeakPolarHBondContact CA-OH 3.4Å; A286-Y370 WeakPolarHBondContact CB-OH 3.48Å
287	S	97.4	Very high	96.7	Very high	38 Å²	38	45.4 Å²	45.4	27%	0.266	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	32.9	-173.8	-65.2	0	0	0	0	112.8	V284 E285 K323 R324	V284-S287 PolarHBondContact O-N 3.28Å; V284-S287 VanDerWaalsContact O-N 3.08Å; E285-S287 PolarHBondContact O-N 3.34Å; E285-S287 VanDerWaalsContact O-N 3.12Å; S287-K323 WeakPolarHBondContact OG-CE 3.41Å; S287-R324 PolarHBondContact OG-O 3.11Å
288	L	98.1	Very high	96.3	Very high	11 Å²	11	51.4 Å²	51.4	6%	0.058	24%	0.244	C	C	.	.			trans	-111.7	24.4	178.8	-63.6	177.5	0	0	0	111.9	I117 I277 P283 A286 W290 L291	I117-L288 HydrophobicContact CD1-CD1 4.48Å; I277-L288 HydrophobicContact CG2-CD1 4.1Å; P283-L288 HydrophobicContact CB-CB 4.32Å; P283-L288 CarbonylContact O-C 3.46Å; P283-L288 VanDerWaalsContact O-C 3.26Å; P283-L288 VanDerWaalsContact O-CA 3.24Å; P283-L288 WeakPolarHBondContact O-CA 3.41Å; P283-L288 WeakPolarHBondContact O-CB 3.11Å; P283-L288 PolarHBondContact O-N 2.92Å; A286-L288 HydrophobicContact CB-CB 4.37Å; A286-L288 HydrophobicContact CB-CD1 3.91Å; A286-L288 HydrophobicContact CB-CG 3.95Å; A286-L288 WeakPolarHBondContact O-CG 3.36Å; A286-L288 PolarHBondContact O-N 2.74Å; L288-W290 HydrophobicContact CD2-CZ2 4.31Å; L288-W290 PolarHBondContact O-N 3.03Å; L288-L291 HydrophobicContact CB-CD1 3.79Å; L288-L291 HydrophobicContact CB-CG 4.12Å; L288-L291 HydrophobicContact CD1-CD1 4Å; L288-L291 HydrophobicContact CG-CD1 4.31Å; L288-L291 WeakPolarHBondContact O-CB 3.42Å; L288-L291 WeakPolarHBondContact O-CG 3.22Å; L288-L291 PolarHBondContact O-N 2.79Å
289	S	96.9	Very high	95.8	Very high	36 Å²	36	52.6 Å²	52.6	25%	0.252	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-57.5	-17.4	-179.1	-55.9	0	0	0	0	114.9	P283 L291 I292 R297	P283-S289 PolarHBondContact O-N 3.29Å; S289-L291 VanDerWaalsContact C-N 3.28Å; S289-I292 PolarHBondContact O-N 2.92Å; S289-R297 PolarHBondContact O-NH1 2.92Å
290	W	96.6	Very high	95.2	Very high	162 Å²	162	59.2 Å²	59.2	61%	0.614	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-72.4	-19.5	175.9	62.6	-90.7	0	0	0	113.1	L107 L288 I292	L107-W290 HydrophobicContact CB-CH2 3.91Å; L107-W290 HydrophobicContact CB-CZ3 4.4Å; L107-W290 HydrophobicContact CD2-CH2 3.64Å; L107-W290 HydrophobicContact CD2-CZ2 3.83Å; L107-W290 HydrophobicContact CG-CH2 4.29Å; L288-W290 HydrophobicContact CD2-CZ2 4.31Å; L288-W290 PolarHBondContact O-N 3.03Å; W290-I292 PolarHBondContact O-N 3.03Å
291	L	97.3	Very high	94.8	Very high	6 Å²	6	55.7 Å²	55.7	3%	0.031	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-71.7	-20.4	173	-60.4	-176.8	0	0	0	112.9	C94 L107 V109 L288 S289 S293	C94-L291 PolarHBondContact SG-O 3.42Å; L107-L291 HydrophobicContact CB-CD2 3.93Å; L107-L291 HydrophobicContact CD2-CD2 4.09Å; L107-L291 HydrophobicContact CG-CD2 3.91Å; L107-L291 WeakPolarHBondContact O-CD2 3.37Å; V109-L291 HydrophobicContact CG1-CD1 3.86Å; V109-L291 HydrophobicContact CG2-CD1 4.4Å; L288-L291 HydrophobicContact CB-CD1 3.79Å; L288-L291 HydrophobicContact CB-CG 4.12Å; L288-L291 HydrophobicContact CD1-CD1 4Å; L288-L291 HydrophobicContact CG-CD1 4.31Å; L288-L291 WeakPolarHBondContact O-CB 3.42Å; L288-L291 WeakPolarHBondContact O-CG 3.22Å; L288-L291 PolarHBondContact O-N 2.79Å; S289-L291 VanDerWaalsContact C-N 3.28Å; L291-S293 PolarHBondContact O-N 3.03Å
292	I	96.6	Very high	94.3	Very high	3 Å²	3	56.2 Å²	56.2	2%	0.015	27%	0.269	C	S	.	.	S	Bend	trans	-89	104.3	-178.3	-51.5	156.3	0	0	0	107.5	C94 P283 V284 S289 W290 R297 F304 I310 L314	C94-I292 HydrophobicContact CB-CB 4.45Å; C94-I292 HydrophobicContact CB-CG1 4.26Å; C94-I292 HydrophobicContact CB-CG2 4.27Å; P283-I292 HydrophobicContact CB-CD1 4.18Å; P283-I292 HydrophobicContact CB-CG1 4.34Å; V284-I292 HydrophobicContact CG2-CD1 4.03Å; S289-I292 PolarHBondContact O-N 2.92Å; W290-I292 PolarHBondContact O-N 3.03Å; I292-R297 HydrophobicContact CG2-CB 3.79Å; I292-R297 HydrophobicContact CG2-CG 4.43Å; I292-R297 PolarHBondContact O-NH1 3.4Å; I292-F304 HydrophobicContact CG2-CE2 4.46Å; I292-F304 HydrophobicContact CG2-CZ 3.99Å; I292-I310 HydrophobicContact CD1-CG2 3.3Å; I292-I310 HydrophobicContact CG1-CG2 4.08Å; I292-I310 HydrophobicContact CG2-CG2 4.41Å; I292-L314 HydrophobicContact CD1-CD1 3.93Å; I292-L314 HydrophobicContact CD1-CD2 4.18Å; I292-L314 HydrophobicContact CD1-CG 4.26Å; I292-L314 HydrophobicContact CG2-CD1 4.26Å
293	S	94.2	Very high	93.9	Very high	19 Å²	19	63 Å²	63	13%	0.133	30%	0.298	C	S	.	.			trans	-60.7	145.9	-173.5	118.6	0	0	0	0	112.3	C94 D96 L291 R295 R296 R297	C94-S293 PolarHBondContact O-N 3.41Å; D96-S293 PolarHBondContact OD2-OG 2.86Å; L291-S293 PolarHBondContact O-N 3.03Å; S293-R295 PolarHBondContact OG-N 3.48Å; S293-R296 PolarHBondContact O-N 3.48Å; S293-R296 WeakPolarHBondContact OG-CB 3.45Å; S293-R296 VanDerWaalsContact OG-CG 3.24Å; S293-R296 WeakPolarHBondContact OG-CG 3.44Å; S293-R296 PolarHBondContact OG-N 2.87Å; S293-R297 WeakPolarHBondContact O-CB 3.34Å; S293-R297 WeakPolarHBondContact O-CD 3.26Å; S293-R297 WeakPolarHBondContact O-CG 3.24Å; S293-R297 PolarHBondContact O-N 2.81Å
294	K	93.8	Very high	93.8	Very high	152 Å²	152	63.5 Å²	63.5	66%	0.661	30%	0.3	S	S	*	.	H	α-helix	trans	-59.8	-46.3	176.1	-73.1	-176.2	-178.2	176.3	0	111.2	R296 R297 L298	K294-R296 PolarHBondContact O-N 2.87Å; K294-R297 PolarHBondContact O-N 2.79Å; K294-L298 HydrophobicContact CB-CD1 4.27Å; K294-L298 WeakPolarHBondContact O-CB 3.1Å; K294-L298 VanDerWaalsContact O-CG 3.27Å; K294-L298 WeakPolarHBondContact O-CG 3.41Å; K294-L298 PolarHBondContact O-N 3.12Å
295	R	94.1	Very high	93.8	Very high	89 Å²	89	63.7 Å²	63.7	34%	0.336	30%	0.302	S	S	.	.	H	α-helix	trans	-59	-48.6	178.9	-171.2	-173.5	67	99.4	1.2	110.9	E90 D96 E98 S293 R297 C299	E90-R295 IonicContact OE1-NH2 3.62Å; E90-R295 PolarHBondContact OE1-NH2 3.3Å; E90-R295 IonicContact OE2-NH2 2.7Å; E90-R295 PolarHBondContact OE2-NH2 2.67Å; E90-R295 VanDerWaalsContact OE2-NH2 3.15Å; D96-R295 IonicContact OD1-CZ 3.96Å; D96-R295 IonicContact OD1-NE 3.81Å; D96-R295 PolarHBondContact OD1-NE 3.12Å; D96-R295 IonicContact OD1-NH2 2.74Å; D96-R295 PolarHBondContact OD1-NH2 3.11Å; D96-R295 WeakPolarHBondContact OD2-CB 3.22Å; D96-R295 WeakPolarHBondContact OD2-CD 3.27Å; D96-R295 IonicContact OD2-CZ 3.62Å; D96-R295 IonicContact OD2-NE 3.52Å; D96-R295 PolarHBondContact OD2-NE 2.88Å; D96-R295 IonicContact OD2-NH2 2.69Å; E98-R295 IonicContact OE2-CZ 3.81Å; E98-R295 IonicContact OE2-NH1 3.73Å; E98-R295 PolarHBondContact OE2-NH1 2.96Å; E98-R295 IonicContact OE2-NH2 3.58Å; E98-R295 PolarHBondContact OE2-NH2 3.27Å; S293-R295 PolarHBondContact OG-N 3.48Å; R295-R297 VanDerWaalsContact C-N 3.35Å; R295-R297 PolarHBondContact O-N 2.95Å; R295-C299 WeakPolarHBondContact O-CB 3.39Å; R295-C299 PolarHBondContact O-N 3.3Å
296	R	94.1	Very high	93.8	Very high	14 Å²	14	62.5 Å²	62.5	5%	0.053	30%	0.298	C	S	.	.	H	α-helix	trans	-65.2	-35	-177.2	-64.8	-65.1	-50.6	-81.6	8.9	112.8	E90 T93 A95 D96 S293 K294 C299 P302 K303 F304	E90-R296 PolarHBondContact O-NH1 3.25Å; E90-R296 PolarHBondContact O-NH2 2.94Å; E90-R296 IonicContact OE2-NE 2.82Å; T93-R296 PolarHBondContact O-NH1 3.3Å; A95-R296 PolarHBondContact O-NH1 2.96Å; D96-R296 HydrophobicContact CB-CG 4.49Å; S293-R296 PolarHBondContact O-N 3.48Å; S293-R296 WeakPolarHBondContact OG-CB 3.45Å; S293-R296 VanDerWaalsContact OG-CG 3.24Å; S293-R296 WeakPolarHBondContact OG-CG 3.44Å; S293-R296 PolarHBondContact OG-N 2.87Å; K294-R296 PolarHBondContact O-N 2.87Å; R296-C299 PolarHBondContact O-SG 3.19Å; R296-C299 VanDerWaalsContact O-SG 3.42Å; R296-P302 WeakPolarHBondContact O-CB 3.19Å; R296-K303 PolarHBondContact NH2-O 2.87Å; R296-F304 HydrophobicContact CB-CD1 4.4Å
297	R	91.9	Very high	93.7	Very high	69 Å²	69	64 Å²	64	26%	0.26	31%	0.308	S	S	.	.	H	α-helix	trans	-95.8	-20.1	-175.7	81.3	-164	-170.7	178.9	2.8	115.5	S289 I292 S293 K294 R295 F304 T311	S289-R297 PolarHBondContact O-NH1 2.92Å; I292-R297 HydrophobicContact CG2-CB 3.79Å; I292-R297 HydrophobicContact CG2-CG 4.43Å; I292-R297 PolarHBondContact O-NH1 3.4Å; S293-R297 WeakPolarHBondContact O-CB 3.34Å; S293-R297 WeakPolarHBondContact O-CD 3.26Å; S293-R297 WeakPolarHBondContact O-CG 3.24Å; S293-R297 PolarHBondContact O-N 2.81Å; K294-R297 PolarHBondContact O-N 2.79Å; R295-R297 VanDerWaalsContact C-N 3.35Å; R295-R297 PolarHBondContact O-N 2.95Å; R297-F304 HydrophobicContact CB-CE1 4.46Å; R297-T311 HydrophobicContact CB-CG2 4.39Å
298	L	90.7	Very high	93.5	Very high	127 Å²	127	66.1 Å²	66.1	67%	0.665	32%	0.323	S	S	*	.	H	α-helix	trans	-103.3	-5.1	-178.4	-59.7	179.5	0	0	0	113	K294	K294-L298 HydrophobicContact CB-CD1 4.27Å; K294-L298 WeakPolarHBondContact O-CB 3.1Å; K294-L298 VanDerWaalsContact O-CG 3.27Å; K294-L298 WeakPolarHBondContact O-CG 3.41Å; K294-L298 PolarHBondContact O-N 3.12Å
299	C	87.5	Confident	93.4	Very high	56 Å²	56	68.8 Å²	68.8	38%	0.378	34%	0.336	S	S	.	.	S	Bend	trans	-65.2	161.4	174.1	67.4	0	0	0	0	111.4	R295 R296 D301 P302	R295-C299 WeakPolarHBondContact O-CB 3.39Å; R295-C299 PolarHBondContact O-N 3.3Å; R296-C299 PolarHBondContact O-SG 3.19Å; R296-C299 VanDerWaalsContact O-SG 3.42Å; C299-D301 PolarHBondContact O-N 3.21Å; C299-D301 VanDerWaalsContact SG-C 3.57Å; C299-D301 PolarHBondContact SG-O 3.36Å; C299-D301 VanDerWaalsContact SG-O 3.41Å; C299-P302 WeakPolarHBondContact O-CD 3.39Å; C299-P302 VanDerWaalsContact SG-CA 3.52Å
300	K	86.2	Confident	93.4	Very high	221 Å²	221	67 Å²	67	96%	0.961	32%	0.324	S	S	*	.	S	Bend	trans	-59.3	-32.3	-176	-173.2	178.6	177.6	-177.3	0	112.9
301	D	88.1	Confident	93.3	Very high	102 Å²	102	60.5 Å²	60.5	55%	0.545	30%	0.302	S	S	.	.	S	Bend	trans	-135.6	84.7	179.8	-175.5	26.7	0	0	0	109.2	C299 K303	C299-D301 PolarHBondContact O-N 3.21Å; C299-D301 VanDerWaalsContact SG-C 3.57Å; C299-D301 PolarHBondContact SG-O 3.36Å; C299-D301 VanDerWaalsContact SG-O 3.41Å; D301-K303 WeakPolarHBondContact O-CG 3.37Å; D301-K303 PolarHBondContact O-N 2.87Å; D301-K303 WeakPolarHBondContact OD2-CE 3.02Å; D301-K303 IonicContact OD2-NZ 2.77Å
302	P	86.6	Confident	93.1	Very high	30 Å²	30	66.7 Å²	66.7	20%	0.195	33%	0.326	C	S	.	.			trans	-59.8	117.9	178.1	-25.5	36.9	0	0	0	111.3	R296 C299 F304 C307	R296-P302 WeakPolarHBondContact O-CB 3.19Å; C299-P302 WeakPolarHBondContact O-CD 3.39Å; C299-P302 VanDerWaalsContact SG-CA 3.52Å; P302-F304 HydrophobicContact CB-CE1 4Å; P302-C307 HydrophobicContact CB-CB 4.17Å; P302-C307 PolarHBondContact O-SG 2.63Å
303	K	91.1	Very high	93.1	Very high	148 Å²	148	67.3 Å²	67.3	64%	0.643	33%	0.329	S	S	*	.			trans	-115	75.2	-176.8	-70.6	-176.6	-174.8	-174.5	0	112.5	R296 D301	R296-K303 PolarHBondContact NH2-O 2.87Å; D301-K303 WeakPolarHBondContact O-CG 3.37Å; D301-K303 PolarHBondContact O-N 2.87Å; D301-K303 WeakPolarHBondContact OD2-CE 3.02Å; D301-K303 IonicContact OD2-NZ 2.77Å
304	F	95.9	Very high	93.1	Very high	11 Å²	11	68.6 Å²	68.6	5%	0.048	33%	0.334	C	S	.	.	S	Bend	trans	-140	159.5	167.8	53	-86.5	0	0	0	109.9	T93 C94 L111 I292 R296 R297 P302 G306 C307 I310 T311	T93-F304 WeakPolarHBondContact O-CB 3.42Å; C94-F304 HydrophobicContact CB-CD2 3.91Å; C94-F304 HydrophobicContact CB-CE2 4.18Å; C94-F304 HydrophobicContact CB-CG 4.27Å; L111-F304 HydrophobicContact CD1-CD2 4.15Å; I292-F304 HydrophobicContact CG2-CE2 4.46Å; I292-F304 HydrophobicContact CG2-CZ 3.99Å; R296-F304 HydrophobicContact CB-CD1 4.4Å; R297-F304 HydrophobicContact CB-CE1 4.46Å; P302-F304 HydrophobicContact CB-CE1 4Å; F304-G306 PolarHBondContact O-N 3.35Å; F304-C307 HydrophobicContact CD1-CB 3.88Å; F304-C307 HydrophobicContact CD2-CB 3.77Å; F304-C307 HydrophobicContact CE1-CB 3.72Å; F304-C307 VanDerWaalsContact CE2-CA 3.42Å; F304-C307 HydrophobicContact CE2-CB 3.63Å; F304-C307 HydrophobicContact CG-CB 3.89Å; F304-C307 HydrophobicContact CZ-CB 3.59Å; F304-C307 VanDerWaalsContact O-CB 3.22Å; F304-C307 WeakPolarHBondContact O-CB 3.32Å; F304-C307 PolarHBondContact O-N 3.1Å; F304-C307 VanDerWaalsContact O-N 3.12Å; F304-C307 PolarHBondContact O-SG 3.02Å; F304-C307 VanDerWaalsContact O-SG 3.36Å; F304-I310 HydrophobicContact CD2-CD1 4.44Å; F304-I310 HydrophobicContact CE2-CB 4.13Å; F304-I310 HydrophobicContact CE2-CD1 3.96Å; F304-I310 HydrophobicContact CE2-CG2 4.05Å; F304-I310 HydrophobicContact CZ-CG2 4.37Å; F304-T311 HydrophobicContact CZ-CG2 4.23Å
305	P	97.2	Very high	93.1	Very high	13 Å²	13	69.2 Å²	69.2	8%	0.084	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	131.8	-180	-22	32.5	0	0	0	111.4	S91 L111 L112 C307	S91-P305 VanDerWaalsContact O-CD 3.27Å; S91-P305 WeakPolarHBondContact O-CD 3.35Å; S91-P305 WeakPolarHBondContact O-CG 3.24Å; L111-P305 HydrophobicContact CB-CB 3.78Å; L111-P305 HydrophobicContact CB-CG 4.28Å; L111-P305 VanDerWaalsContact O-CB 3.28Å; L111-P305 WeakPolarHBondContact O-CB 3.2Å; L112-P305 CarbonylContact O-C 3.55Å; P305-C307 VanDerWaalsContact C-N 3.26Å; P305-C307 PolarHBondContact O-N 2.64Å
306	G	96.9	Very high	93	Very high	6 Å²	6	68.1 Å²	68.1	6%	0.062	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.1	14.1	-179.6	0	0	0	0	0	115.8	L112 N113 F304 S308 I309 I310	L112-G306 PolarHBondContact O-N 3Å; N113-G306 VanDerWaalsContact O-CA 3.31Å; N113-G306 WeakPolarHBondContact O-CA 3.18Å; F304-G306 PolarHBondContact O-N 3.35Å; G306-S308 VanDerWaalsContact C-N 3.31Å; G306-S308 PolarHBondContact O-N 2.86Å; G306-I309 PolarHBondContact O-N 2.88Å; G306-I310 WeakPolarHBondContact O-CB 3.3Å; G306-I310 WeakPolarHBondContact O-CG1 3.4Å; G306-I310 PolarHBondContact O-N 2.87Å
307	C	96	Very high	92.4	Very high	30 Å²	30	77.2 Å²	77.2	20%	0.203	37%	0.372	C	S	.	.	H	α-helix	trans	-54.6	-38.6	-175.8	60.2	0	0	0	0	114.8	P302 F304 P305 I310 T311	P302-C307 HydrophobicContact CB-CB 4.17Å; P302-C307 PolarHBondContact O-SG 2.63Å; F304-C307 HydrophobicContact CD1-CB 3.88Å; F304-C307 HydrophobicContact CD2-CB 3.77Å; F304-C307 HydrophobicContact CE1-CB 3.72Å; F304-C307 VanDerWaalsContact CE2-CA 3.42Å; F304-C307 HydrophobicContact CE2-CB 3.63Å; F304-C307 HydrophobicContact CG-CB 3.89Å; F304-C307 HydrophobicContact CZ-CB 3.59Å; F304-C307 VanDerWaalsContact O-CB 3.22Å; F304-C307 WeakPolarHBondContact O-CB 3.32Å; F304-C307 PolarHBondContact O-N 3.1Å; F304-C307 VanDerWaalsContact O-N 3.12Å; F304-C307 PolarHBondContact O-SG 3.02Å; F304-C307 VanDerWaalsContact O-SG 3.36Å; P305-C307 VanDerWaalsContact C-N 3.26Å; P305-C307 PolarHBondContact O-N 2.64Å; C307-I310 PolarHBondContact O-N 3.03Å; C307-T311 VanDerWaalsContact O-CB 3.23Å; C307-T311 WeakPolarHBondContact O-CB 3.46Å; C307-T311 WeakPolarHBondContact O-CG2 3.22Å; C307-T311 PolarHBondContact O-N 3.17Å; C307-T311 PolarHBondContact O-OG1 3.1Å
308	S	94.4	Very high	92	Very high	84 Å²	84	81.7 Å²	81.7	59%	0.587	40%	0.401	S	S	*	.	H	α-helix	trans	-61.9	-46.3	179.5	55.3	0	0	0	0	111.9	G306 T311 Y312	G306-S308 VanDerWaalsContact C-N 3.31Å; G306-S308 PolarHBondContact O-N 2.86Å; S308-T311 PolarHBondContact O-OG1 3.36Å; S308-Y312 VanDerWaalsContact O-CB 3.22Å; S308-Y312 WeakPolarHBondContact O-CB 3.32Å; S308-Y312 PolarHBondContact O-N 3.5Å; S308-Y312 VanDerWaalsContact O-N 3.07Å
309	I	95.7	Very high	91.8	Very high	66 Å²	66	77.2 Å²	77.2	34%	0.338	38%	0.383	S	S	.	.	H	α-helix	trans	-67	-49.7	178.5	-63.9	166.8	0	0	0	110	S114 T282 G306 T311 Y312 Q313	S114-I309 WeakPolarHBondContact O-CD1 3.4Å; T282-I309 HydrophobicContact CG2-CG2 4.42Å; G306-I309 PolarHBondContact O-N 2.88Å; I309-T311 PolarHBondContact O-N 3.32Å; I309-Y312 PolarHBondContact O-N 3.14Å; I309-Q313 WeakPolarHBondContact O-CG 3.26Å; I309-Q313 PolarHBondContact O-N 3.26Å
310	I	96.2	Very high	92.1	Very high	0 Å²	0	75.3 Å²	75.3	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-64	-45.8	-176.4	-70.2	169.9	0	0	0	111	L111 P283 V284 I292 F304 G306 C307 Y312 Q313 L314	L111-I310 HydrophobicContact CD1-CD1 3.81Å; L111-I310 HydrophobicContact CD2-CD1 4.29Å; P283-I310 HydrophobicContact CG-CD1 4.43Å; V284-I310 HydrophobicContact CG2-CG2 4.1Å; I292-I310 HydrophobicContact CD1-CG2 3.3Å; I292-I310 HydrophobicContact CG1-CG2 4.08Å; I292-I310 HydrophobicContact CG2-CG2 4.41Å; F304-I310 HydrophobicContact CD2-CD1 4.44Å; F304-I310 HydrophobicContact CE2-CB 4.13Å; F304-I310 HydrophobicContact CE2-CD1 3.96Å; F304-I310 HydrophobicContact CE2-CG2 4.05Å; F304-I310 HydrophobicContact CZ-CG2 4.37Å; G306-I310 WeakPolarHBondContact O-CB 3.3Å; G306-I310 WeakPolarHBondContact O-CG1 3.4Å; G306-I310 PolarHBondContact O-N 2.87Å; C307-I310 PolarHBondContact O-N 3.03Å; I310-Y312 VanDerWaalsContact C-N 3.33Å; I310-Y312 PolarHBondContact O-N 3.27Å; I310-Q313 PolarHBondContact O-N 3.47Å; I310-L314 HydrophobicContact CG2-CD1 4.32Å; I310-L314 VanDerWaalsContact O-CG 3.3Å; I310-L314 WeakPolarHBondContact O-CG 3.45Å; I310-L314 PolarHBondContact O-N 2.91Å
311	T	94.1	Very high	92.4	Very high	24 Å²	24	72.8 Å²	72.8	15%	0.147	36%	0.358	C	S	.	.	H	α-helix	trans	-67.3	-34.4	178.4	57.5	0	0	0	0	112	R297 F304 C307 S308 I309 L314 K315	R297-T311 HydrophobicContact CB-CG2 4.39Å; F304-T311 HydrophobicContact CZ-CG2 4.23Å; C307-T311 VanDerWaalsContact O-CB 3.23Å; C307-T311 WeakPolarHBondContact O-CB 3.46Å; C307-T311 WeakPolarHBondContact O-CG2 3.22Å; C307-T311 PolarHBondContact O-N 3.17Å; C307-T311 PolarHBondContact O-OG1 3.1Å; S308-T311 PolarHBondContact O-OG1 3.36Å; I309-T311 PolarHBondContact O-N 3.32Å; T311-L314 PolarHBondContact O-N 3.41Å; T311-K315 WeakPolarHBondContact O-CG 3.33Å; T311-K315 PolarHBondContact O-N 3.03Å; T311-K315 VanDerWaalsContact O-N 3.16Å
312	Y	94.6	Very high	92.8	Very high	137 Å²	137	71 Å²	71	54%	0.537	35%	0.348	S	S	.	.	H	α-helix	trans	-63.5	-47.5	172.6	178	-103.3	0	0	0	111.8	S308 I309 I310 L314 K315 N316 A319	S308-Y312 VanDerWaalsContact O-CB 3.22Å; S308-Y312 WeakPolarHBondContact O-CB 3.32Å; S308-Y312 PolarHBondContact O-N 3.5Å; S308-Y312 VanDerWaalsContact O-N 3.07Å; I309-Y312 PolarHBondContact O-N 3.14Å; I310-Y312 VanDerWaalsContact C-N 3.33Å; I310-Y312 PolarHBondContact O-N 3.27Å; Y312-L314 VanDerWaalsContact C-N 3.34Å; Y312-L314 PolarHBondContact O-N 3.2Å; Y312-K315 PolarHBondContact O-N 3.33Å; Y312-N316 WeakPolarHBondContact CD2-ND2 3.44Å; Y312-N316 HydrophobicContact CE2-CB 4.45Å; Y312-N316 WeakPolarHBondContact CE2-ND2 3.39Å; Y312-N316 WeakPolarHBondContact O-CB 3.28Å; Y312-N316 PolarHBondContact O-N 2.84Å; Y312-N316 PolarHBondContact O-ND2 3.46Å; Y312-A319 HydrophobicContact CD1-CB 4.03Å; Y312-A319 HydrophobicContact CE1-CB 3.43Å; Y312-A319 VanDerWaalsContact CE1-CB 3.43Å
313	Q	96	Very high	93.3	Very high	16 Å²	16	72.7 Å²	72.7	8%	0.075	35%	0.352	C	S	.	.	H	α-helix	trans	-61.3	-39.3	176.2	-76.1	178.9	-24.7	0	0	112.6	T282 V284 I309 I310 K315 N316 L320	T282-Q313 VanDerWaalsContact CB-OE1 3.3Å; T282-Q313 PolarHBondContact OG1-OE1 3.09Å; V284-Q313 HydrophobicContact CB-CB 4Å; V284-Q313 HydrophobicContact CG1-CB 4.06Å; V284-Q313 HydrophobicContact CG2-CB 3.95Å; I309-Q313 WeakPolarHBondContact O-CG 3.26Å; I309-Q313 PolarHBondContact O-N 3.26Å; I310-Q313 PolarHBondContact O-N 3.47Å; Q313-K315 VanDerWaalsContact C-N 3.32Å; Q313-K315 PolarHBondContact O-N 3.39Å; Q313-N316 CarbonylContact O-C 3.43Å; Q313-N316 PolarHBondContact O-N 2.89Å; Q313-L320 HydrophobicContact CB-CD2 3.95Å; Q313-L320 HydrophobicContact CG-CD2 3.91Å
314	L	94.3	Very high	93.7	Very high	46 Å²	46	66.3 Å²	66.3	24%	0.241	32%	0.324	C	S	.	.	H	α-helix	trans	-62.7	-38.1	176	-75.7	174.9	0	0	0	112.7	V284 I292 I310 T311 Y312	V284-L314 HydrophobicContact CG1-CD2 4.3Å; V284-L314 HydrophobicContact CG2-CD2 3.85Å; V284-L314 HydrophobicContact CG2-CG 3.87Å; I292-L314 HydrophobicContact CD1-CD1 3.93Å; I292-L314 HydrophobicContact CD1-CD2 4.18Å; I292-L314 HydrophobicContact CD1-CG 4.26Å; I292-L314 HydrophobicContact CG2-CD1 4.26Å; I310-L314 HydrophobicContact CG2-CD1 4.32Å; I310-L314 VanDerWaalsContact O-CG 3.3Å; I310-L314 WeakPolarHBondContact O-CG 3.45Å; I310-L314 PolarHBondContact O-N 2.91Å; T311-L314 PolarHBondContact O-N 3.41Å; Y312-L314 VanDerWaalsContact C-N 3.34Å; Y312-L314 PolarHBondContact O-N 3.2Å
315	K	92.8	Very high	93.8	Very high	164 Å²	164	66.2 Å²	66.2	71%	0.713	32%	0.324	S	S	*	.	H	α-helix	trans	-79.9	-32.4	-179.8	-70.2	173.9	-177.3	177.2	0	112.3	T311 Y312 Q313	T311-K315 WeakPolarHBondContact O-CG 3.33Å; T311-K315 PolarHBondContact O-N 3.03Å; T311-K315 VanDerWaalsContact O-N 3.16Å; Y312-K315 PolarHBondContact O-N 3.33Å; Q313-K315 VanDerWaalsContact C-N 3.32Å; Q313-K315 PolarHBondContact O-N 3.39Å
316	N	93.2	Very high	93.9	Very high	67 Å²	67	65.7 Å²	65.7	36%	0.358	32%	0.321	S	S	.	.			trans	-120	87.1	-173.3	-58.2	-78.5	0	0	0	110.2	Y312 Q313 N318 A319	Y312-N316 WeakPolarHBondContact CD2-ND2 3.44Å; Y312-N316 HydrophobicContact CE2-CB 4.45Å; Y312-N316 WeakPolarHBondContact CE2-ND2 3.39Å; Y312-N316 WeakPolarHBondContact O-CB 3.28Å; Y312-N316 PolarHBondContact O-N 2.84Å; Y312-N316 PolarHBondContact O-ND2 3.46Å; Q313-N316 CarbonylContact O-C 3.43Å; Q313-N316 PolarHBondContact O-N 2.89Å; N316-N318 PolarHBondContact O-N 2.95Å; N316-N318 VanDerWaalsContact O-N 3.14Å; N316-A319 HydrophobicContact CB-CB 3.98Å; N316-A319 WeakPolarHBondContact O-CB 3.32Å; N316-A319 PolarHBondContact O-N 2.87Å
317	R	80.8	Confident	94	Very high	204 Å²	204	65.4 Å²	65.4	77%	0.77	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-57.2	-31.3	179.6	-70.1	-174.8	179	-179.4	1.4	113.2	A319 L320	R317-A319 PolarHBondContact O-N 3.07Å; R317-L320 WeakPolarHBondContact O-CB 3.29Å; R317-L320 PolarHBondContact O-N 3.13Å
318	N	83.6	Confident	94.1	Very high	164 Å²	164	65.1 Å²	65.1	88%	0.877	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-70.2	-13.6	177.1	-61.2	-7.9	0	0	0	113.3	N316 L320	N316-N318 PolarHBondContact O-N 2.95Å; N316-N318 VanDerWaalsContact O-N 3.14Å; N318-L320 VanDerWaalsContact C-N 3.26Å
319	A	87.5	Confident	94.3	Very high	33 Å²	33	61.4 Å²	61.4	27%	0.273	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-75.7	-16.5	174.7	0	0	0	0	0	112.8	Y312 N316 R317 K321	Y312-A319 HydrophobicContact CD1-CB 4.03Å; Y312-A319 HydrophobicContact CE1-CB 3.43Å; Y312-A319 VanDerWaalsContact CE1-CB 3.43Å; N316-A319 HydrophobicContact CB-CB 3.98Å; N316-A319 WeakPolarHBondContact O-CB 3.32Å; N316-A319 PolarHBondContact O-N 2.87Å; R317-A319 PolarHBondContact O-N 3.07Å; A319-K321 PolarHBondContact O-N 2.68Å
320	L	92.9	Very high	94.2	Very high	15 Å²	15	64.3 Å²	64.3	8%	0.079	30%	0.3	C	S	.	.			trans	-73.1	117.1	176.9	-61.3	172.7	0	0	0	108.6	V284 E285 Q313 R317 N318 S373	V284-L320 HydrophobicContact CB-CD2 4.08Å; V284-L320 HydrophobicContact CG1-CD1 3.95Å; V284-L320 HydrophobicContact CG1-CD2 3.75Å; V284-L320 HydrophobicContact CG1-CG 4.39Å; E285-L320 HydrophobicContact CG-CD2 3.72Å; Q313-L320 HydrophobicContact CB-CD2 3.95Å; Q313-L320 HydrophobicContact CG-CD2 3.91Å; R317-L320 WeakPolarHBondContact O-CB 3.29Å; R317-L320 PolarHBondContact O-N 3.13Å; N318-L320 VanDerWaalsContact C-N 3.26Å; L320-S373 VanDerWaalsContact C-OG 3.29Å; L320-S373 VanDerWaalsContact CB-OG 3.28Å; L320-S373 WeakPolarHBondContact CB-OG 3.24Å; L320-S373 VanDerWaalsContact O-CB 3.27Å; L320-S373 WeakPolarHBondContact O-CB 3.3Å; L320-S373 PolarHBondContact O-OG 3.16Å
321	K	92.8	Very high	94	Very high	169 Å²	169	68.4 Å²	68.4	74%	0.735	33%	0.329	S	S	*	.	S	Bend	trans	-71.7	-51.3	173.1	-69.7	-178.1	179.3	177.8	0	110.3	A319 K372 S373	A319-K321 PolarHBondContact O-N 2.68Å; K321-K372 VanDerWaalsContact O-CA 3.29Å; K321-K372 WeakPolarHBondContact O-CA 3.41Å; K321-S373 PolarHBondContact O-N 2.84Å; K321-S373 VanDerWaalsContact O-N 3.1Å
322	N	96.4	Very high	94	Very high	65 Å²	65	69.3 Å²	69.3	35%	0.348	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	152.2	180	-59	-53.1	0	0	0	110.6	Y370 V371	N322-Y370 HydrophobicContact CB-CD1 4.17Å; N322-V371 CarbonylContact C-O 3.29Å; N322-V371 WeakPolarHBondContact CA-O 3.23Å
323	K	97.5	Very high	94	Very high	65 Å²	65	64.6 Å²	64.6	28%	0.283	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	140.2	178.7	-171.9	-179.7	175.6	-168.9	0	111.1	E285 S287 Y370 V371 C376	E285-K323 CarbonylContact O-C 3.59Å; E285-K323 WeakPolarHBondContact O-CA 3.43Å; S287-K323 WeakPolarHBondContact OG-CE 3.41Å; K323-Y370 WeakPolarHBondContact O-CA 3.14Å; K323-V371 PolarHBondContact N-O 3.21Å; K323-V371 PolarHBondContact O-N 3.47Å; K323-V371 VanDerWaalsContact O-N 3.08Å; K323-C376 HydrophobicContact CD-CB 4.21Å
324	R	98.6	Very high	94.1	Very high	13 Å²	13	65.3 Å²	65.3	5%	0.049	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	128	173.6	-168.1	-178.6	61	99.6	1.8	110.7	C271 E285 A286 S287 M368 A369 Y370 M398	C271-R324 PolarHBondContact SG-NE 3.34Å; E285-R324 PolarHBondContact O-N 2.71Å; A286-R324 VanDerWaalsContact O-CZ 3.27Å; A286-R324 PolarHBondContact O-NE 3.05Å; A286-R324 PolarHBondContact O-NH2 3.49Å; S287-R324 PolarHBondContact OG-O 3.11Å; R324-M368 PolarHBondContact NH1-SD 2.77Å; R324-A369 CarbonylContact C-O 3.51Å; R324-A369 WeakPolarHBondContact CA-O 3.28Å; R324-Y370 HydrophobicContact CB-CD1 4.42Å; R324-Y370 HydrophobicContact CB-CD2 4.46Å; R324-Y370 HydrophobicContact CB-CE1 4.02Å; R324-Y370 HydrophobicContact CB-CE2 4.05Å; R324-Y370 HydrophobicContact CG-CE2 4.2Å; R324-M398 VanDerWaalsContact NH1-CE 3.26Å
325	I	98.5	Very high	94.2	Very high	10 Å²	10	63.1 Å²	63.1	5%	0.051	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	162.5	178.9	59.1	159	0	0	0	111.3	L327 M368 A369 V371 C376 L382 V395	I325-L327 HydrophobicContact CD1-CD1 4.22Å; I325-L327 HydrophobicContact CD1-CD2 3.71Å; I325-L327 HydrophobicContact CD1-CG 3.82Å; I325-L327 HydrophobicContact CG1-CG 4.38Å; I325-M368 WeakPolarHBondContact O-CA 3.31Å; I325-A369 HydrophobicContact CG1-CB 4.12Å; I325-A369 PolarHBondContact N-O 2.7Å; I325-A369 PolarHBondContact O-N 2.91Å; I325-A369 VanDerWaalsContact O-N 3.15Å; I325-V371 HydrophobicContact CD1-CB 4.32Å; I325-V371 HydrophobicContact CD1-CG1 3.72Å; I325-V371 HydrophobicContact CD1-CG2 3.6Å; I325-V371 HydrophobicContact CG1-CG1 4.25Å; I325-V371 HydrophobicContact CG1-CG2 3.95Å; I325-V371 HydrophobicContact CG2-CG2 4.02Å; I325-C376 HydrophobicContact CG2-CB 3.67Å; I325-L382 HydrophobicContact CD1-CD1 4.05Å; I325-V395 HydrophobicContact CB-CG1 4.25Å; I325-V395 HydrophobicContact CD1-CG1 4.19Å; I325-V395 HydrophobicContact CD1-CG2 3.82Å; I325-V395 HydrophobicContact CG2-CG1 4.39Å
326	G	98.8	Very high	94.3	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.01	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	144.6	165.2	0	0	0	0	0	110.3	A367 V395 T396	G326-A367 CarbonylContact C-O 3.55Å; G326-V395 WeakPolarHBondContact O-CA 3.37Å; G326-T396 PolarHBondContact O-N 3.42Å
327	L	98.8	Very high	94.5	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	139.2	178.7	-71.7	170.2	0	0	0	109.7	I325 I341 I353 I366 A367 A369 L382 Y393 T394 V395 F400	I325-L327 HydrophobicContact CD1-CD1 4.22Å; I325-L327 HydrophobicContact CD1-CD2 3.71Å; I325-L327 HydrophobicContact CD1-CG 3.82Å; I325-L327 HydrophobicContact CG1-CG 4.38Å; L327-I341 HydrophobicContact CD1-CD1 3.83Å; L327-I353 HydrophobicContact CD1-CD1 3.7Å; L327-I366 CarbonylContact O-C 3.36Å; L327-I366 VanDerWaalsContact O-CA 3.32Å; L327-I366 WeakPolarHBondContact O-CA 3.43Å; L327-A367 HydrophobicContact CB-CB 4.32Å; L327-A367 PolarHBondContact N-O 2.93Å; L327-A367 PolarHBondContact O-N 2.66Å; L327-A369 HydrophobicContact CD1-CB 3.69Å; L327-L382 HydrophobicContact CD2-CD1 4.19Å; L327-Y393 HydrophobicContact CB-CD1 3.83Å; L327-Y393 HydrophobicContact CB-CG 4.44Å; L327-T394 WeakPolarHBondContact CA-O 3.39Å; L327-V395 HydrophobicContact CD2-CG2 3.93Å; L327-F400 WeakPolarHBondContact O-CE1 3.46Å
328	I	98.6	Very high	95.3	Very high	25 Å²	25	55 Å²	55	13%	0.128	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	142.7	175.6	-164.7	164.1	0	0	0	110.8	L362 K364 N365 I366 Y393 T394 T396	I328-L362 HydrophobicContact CD1-CD1 4.21Å; I328-K364 HydrophobicContact CD1-CB 4.22Å; I328-K364 HydrophobicContact CD1-CD 3.67Å; I328-K364 HydrophobicContact CG1-CB 4.09Å; I328-K364 HydrophobicContact CG1-CD 4.07Å; I328-N365 CarbonylContact C-O 3.56Å; I328-N365 WeakPolarHBondContact CA-O 3.4Å; I328-I366 HydrophobicContact CD1-CG2 4.31Å; I328-I366 HydrophobicContact CG1-CG2 4.12Å; I328-Y393 CarbonylContact O-C 3.54Å; I328-Y393 WeakPolarHBondContact O-CA 3.37Å; I328-T394 PolarHBondContact N-O 2.88Å; I328-T394 PolarHBondContact O-N 3.45Å; I328-T396 HydrophobicContact CB-CG2 4Å; I328-T396 HydrophobicContact CG2-CG2 4.02Å
329	C	98.1	Very high	96	Very high	5 Å²	5	48 Å²	48	3%	0.034	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	130.7	177.3	-178.8	0	0	0	0	110.6	S331 N365 P392 Y393	C329-S331 PolarHBondContact SG-O 3.18Å; C329-N365 HydrophobicContact CB-CB 4.21Å; C329-N365 PolarHBondContact N-O 3.42Å; C329-N365 PolarHBondContact O-N 3.34Å; C329-P392 PolarHBondContact SG-O 3.23Å; C329-Y393 HydrophobicContact CB-CD1 3.45Å; C329-Y393 VanDerWaalsContact CB-CD1 3.45Å; C329-Y393 HydrophobicContact CB-CD2 3.6Å; C329-Y393 HydrophobicContact CB-CE1 3.33Å; C329-Y393 HydrophobicContact CB-CE2 3.46Å; C329-Y393 VanDerWaalsContact CB-CE2 3.46Å; C329-Y393 HydrophobicContact CB-CG 3.6Å
330	E	94.4	Very high	96.5	Very high	127 Å²	127	50.6 Å²	50.6	59%	0.593	28%	0.275	S	S	*	.	S	Bend	trans	-70.6	-31.9	-175.8	-61.7	-61.7	154.2	0	0	112.9	K364	E330-K364 IonicContact OE1-NZ 2.71Å; E330-K364 PolarHBondContact OE1-NZ 2.88Å; E330-K364 WeakPolarHBondContact OE2-CD 3.5Å; E330-K364 WeakPolarHBondContact OE2-CE 3.21Å; E330-K364 IonicContact OE2-NZ 2.92Å; E330-K364 PolarHBondContact OE2-NZ 3.02Å
331	S	92.3	Very high	96.8	Very high	87 Å²	87	49.9 Å²	49.9	61%	0.608	27%	0.271	S	S	*	.	S	Bend	trans	-154.1	162.9	-173.2	68.9	0	0	0	0	113.4	C329	C329-S331 PolarHBondContact SG-O 3.18Å
332	G	93.5	Very high	97.1	Very high	43 Å²	43	42.9 Å²	42.9	44%	0.443	24%	0.241	S	C	.	.	S	Bend	trans	95.2	-170.8	-177.4	0	0	0	0	0	113	N365	G332-N365 PolarHBondContact O-ND2 3.3Å
333	P	95.8	Very high	97.1	Very high	37 Å²	37	41 Å²	41	24%	0.24	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-75.7	146.4	-177.4	30.4	-32.7	0	0	0	111.8	A335 I386 Y391 Y393	P333-A335 PolarHBondContact O-N 2.71Å; P333-I386 HydrophobicContact CB-CG2 4.24Å; P333-I386 HydrophobicContact CG-CB 4.19Å; P333-I386 HydrophobicContact CG-CD1 4.07Å; P333-I386 HydrophobicContact CG-CG2 3.71Å; P333-I386 VanDerWaalsContact O-CD1 3.27Å; P333-I386 WeakPolarHBondContact O-CD1 3.31Å; P333-Y391 VanDerWaalsContact CD-CE1 3.46Å; P333-Y391 HydrophobicContact CG-CD2 4.37Å; P333-Y391 HydrophobicContact CG-CE1 4.37Å; P333-Y391 HydrophobicContact CG-CE2 3.81Å; P333-Y393 PolarHBondContact O-OH 2.87Å
334	P	96.4	Very high	97	Very high	32 Å²	32	44.5 Å²	44.5	21%	0.208	25%	0.248	C	C	.	.	P	Polyproline II helix	trans	-63.7	134	171.8	24.9	-32.5	0	0	0	110.6	N365	P334-N365 WeakPolarHBondContact CA-OD1 3.29Å; P334-N365 HydrophobicContact CB-CB 4.45Å; P334-N365 WeakPolarHBondContact CB-OD1 3.45Å
335	A	97.4	Very high	96.9	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-61.1	149.4	170.3	0	0	0	0	0	110.7	P333 I353 G356 A367 V384 I386 Y393	P333-A335 PolarHBondContact O-N 2.71Å; A335-I353 HydrophobicContact CB-CD1 3.96Å; A335-I353 HydrophobicContact CB-CG1 3.99Å; A335-I353 HydrophobicContact CB-CG2 4.14Å; A335-G356 CarbonylContact O-C 3.26Å; A335-G356 VanDerWaalsContact O-C 3.29Å; A335-G356 VanDerWaalsContact O-CA 3.29Å; A335-G356 WeakPolarHBondContact O-CA 3.49Å; A335-A367 HydrophobicContact CB-CB 4.42Å; A335-V384 HydrophobicContact CB-CG1 3.93Å; A335-I386 HydrophobicContact CB-CD1 4.13Å; A335-Y393 HydrophobicContact CB-CE1 4.35Å; A335-Y393 PolarHBondContact N-OH 3.17Å
336	R	95.3	Very high	96.8	Very high	121 Å²	121	49.3 Å²	49.3	46%	0.457	28%	0.279	S	S	.	.			trans	-121.4	158.4	177.9	-61.4	-60.1	-174	-178	3.9	109.6	G338 A339 I353 G356	R336-G338 PolarHBondContact O-N 3.15Å; R336-A339 WeakPolarHBondContact O-CB 3.42Å; R336-A339 PolarHBondContact O-N 3.48Å; R336-I353 VanDerWaalsContact O-CG2 3.31Å; R336-I353 WeakPolarHBondContact O-CG2 3.31Å; R336-G356 PolarHBondContact NH1-O 2.59Å
337	N	96.8	Very high	96.5	Very high	100 Å²	100	57 Å²	57	54%	0.535	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.4	132	173	-173.8	-27.1	0	0	0	110.1	I353 T354	N337-I353 WeakPolarHBondContact CA-O 3.43Å; N337-T354 VanDerWaalsContact CB-O 3.23Å; N337-T354 WeakPolarHBondContact CB-O 2.98Å; N337-T354 PolarHBondContact ND2-O 2.96Å
338	G	97.5	Very high	96.4	Very high	44 Å²	44	60.4 Å²	60.4	45%	0.454	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.5	-6.4	-178.8	0	0	0	0	0	114.7	R336 K340 I353	R336-G338 PolarHBondContact O-N 3.15Å; G338-K340 PolarHBondContact O-N 2.84Å; G338-I353 PolarHBondContact N-O 2.83Å
339	A	98.1	Very high	96.4	Very high	17 Å²	17	63 Å²	63	14%	0.14	34%	0.344	C	S	.	.			trans	-64.7	130.1	173.9	0	0	0	0	0	110.5	R336 V352 I353 V384	R336-A339 WeakPolarHBondContact O-CB 3.42Å; R336-A339 PolarHBondContact O-N 3.48Å; A339-V352 WeakPolarHBondContact O-CA 3.36Å; A339-I353 HydrophobicContact CB-CB 4.12Å; A339-I353 HydrophobicContact CB-CG1 3.96Å; A339-I353 WeakPolarHBondContact O-CG1 3.21Å; A339-I353 PolarHBondContact O-N 2.87Å; A339-V384 HydrophobicContact CB-CG1 3.83Å
340	K	98.5	Very high	96.4	Very high	87 Å²	87	62.9 Å²	62.9	38%	0.378	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	145.1	-176.4	-66.9	178.9	167.9	-141.6	0	111.4	G338 F342 E349 V384 Q385	G338-K340 PolarHBondContact O-N 2.84Å; K340-F342 HydrophobicContact CB-CD2 4.29Å; K340-F342 HydrophobicContact CB-CE2 3.54Å; K340-F342 HydrophobicContact CB-CZ 4.25Å; K340-F342 HydrophobicContact CD-CE2 4.45Å; K340-F342 HydrophobicContact CD-CZ 4.42Å; K340-E349 WeakPolarHBondContact CD-OE2 3.25Å; K340-E349 WeakPolarHBondContact CE-OE2 3.44Å; K340-E349 IonicContact NZ-OE1 3.06Å; K340-E349 IonicContact NZ-OE2 3.73Å; K340-E349 PolarHBondContact NZ-OE2 3.3Å; K340-V384 WeakPolarHBondContact O-CA 3.42Å; K340-Q385 PolarHBondContact O-N 3.47Å
341	I	98.6	Very high	96.6	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	132.3	179.4	-52	176.9	0	0	0	108.7	L327 I350 G351 I353 A369 V371 L382 F383 V384	L327-I341 HydrophobicContact CD1-CD1 3.83Å; I341-I350 HydrophobicContact CB-CG1 4.39Å; I341-I350 HydrophobicContact CG2-CD1 4.15Å; I341-I350 HydrophobicContact CG2-CG1 4Å; I341-I350 WeakPolarHBondContact O-CG1 3.5Å; I341-I350 PolarHBondContact O-N 3.41Å; I341-G351 PolarHBondContact N-O 3.42Å; I341-G351 PolarHBondContact O-N 3.24Å; I341-I353 HydrophobicContact CD1-CD1 3.95Å; I341-I353 HydrophobicContact CD1-CG1 4.09Å; I341-I353 HydrophobicContact CG1-CD1 4.32Å; I341-I353 HydrophobicContact CG1-CG1 4.1Å; I341-A369 HydrophobicContact CD1-CB 3.32Å; I341-V371 HydrophobicContact CD1-CG1 3.84Å; I341-V371 HydrophobicContact CG2-CG1 4.26Å; I341-L382 HydrophobicContact CG2-CB 3.87Å; I341-L382 HydrophobicContact CG2-CD1 4Å; I341-F383 CarbonylContact C-O 3.58Å; I341-F383 WeakPolarHBondContact CA-O 3.28Å; I341-V384 HydrophobicContact CG1-CG2 4.34Å
342	F	98.5	Very high	96.9	Very high	22 Å²	22	56 Å²	56	10%	0.096	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	155.1	-178	-67.5	-101.2	0	0	0	111.2	K340 L348 E349 F383 Q385 F390	K340-F342 HydrophobicContact CB-CD2 4.29Å; K340-F342 HydrophobicContact CB-CE2 3.54Å; K340-F342 HydrophobicContact CB-CZ 4.25Å; K340-F342 HydrophobicContact CD-CE2 4.45Å; K340-F342 HydrophobicContact CD-CZ 4.42Å; F342-L348 VanDerWaalsContact CA-O 3.28Å; F342-L348 WeakPolarHBondContact CA-O 3.39Å; F342-E349 HydrophobicContact CD1-CB 4.48Å; F342-E349 HydrophobicContact CE1-CB 4.12Å; F342-E349 HydrophobicContact CZ-CB 4.41Å; F342-F383 HydrophobicContact CB-CB 4.42Å; F342-F383 PolarHBondContact N-O 2.93Å; F342-F383 PolarHBondContact O-N 2.96Å; F342-Q385 HydrophobicContact CD2-CB 4.27Å; F342-Q385 HydrophobicContact CE2-CB 3.89Å; F342-F390 HydrophobicContact CB-CE1 4.3Å; F342-F390 HydrophobicContact CD1-CE1 4.34Å; F342-F390 HydrophobicContact CD2-CD1 4.17Å; F342-F390 AromaticContact CD2-CE1 3.52Å; F342-F390 HydrophobicContact CD2-CE1 3.52Å; F342-F390 AromaticContact CE2-CE1 3.8Å; F342-F390 HydrophobicContact CE2-CE1 3.8Å; F342-F390 HydrophobicContact CG-CD1 4.49Å; F342-F390 AromaticContact CG-CE1 3.8Å; F342-F390 HydrophobicContact CG-CE1 3.8Å; F342-F390 HydrophobicContact CZ-CE1 4.35Å
343	D	97	Very high	97.1	Very high	24 Å²	24	53.9 Å²	53.9	13%	0.128	29%	0.287	C	S	.	.			trans	-71.2	-177.7	169.6	79	-44.2	0	0	0	111.7	S345 L346 L348 I350 Y375 F383	D343-S345 PolarHBondContact O-N 3.22Å; D343-S345 PolarHBondContact OD1-N 3.49Å; D343-S345 PolarHBondContact OD1-OG 2.83Å; D343-S345 VanDerWaalsContact OD2-CB 3.29Å; D343-S345 WeakPolarHBondContact OD2-CB 3.39Å; D343-S345 PolarHBondContact OD2-N 2.86Å; D343-S345 VanDerWaalsContact OD2-N 3.13Å; D343-S345 PolarHBondContact OD2-OG 2.8Å; D343-L346 PolarHBondContact O-N 2.79Å; D343-L346 VanDerWaalsContact O-N 3.13Å; D343-L346 PolarHBondContact OD1-N 3.23Å; D343-L348 HydrophobicContact CB-CB 4.44Å; D343-L348 PolarHBondContact N-O 3.22Å; D343-L348 VanDerWaalsContact N-O 3.16Å; D343-L348 WeakPolarHBondContact OD1-CB 3.4Å; D343-L348 PolarHBondContact OD1-N 2.99Å; D343-L348 VanDerWaalsContact OD1-N 3.12Å; D343-I350 HydrophobicContact CB-CD1 4.4Å; D343-I350 HydrophobicContact CB-CG2 4.15Å; D343-Y375 HydrophobicContact CB-CE1 3.9Å; D343-F383 WeakPolarHBondContact O-CD2 3.38Å
344	H	95.4	Very high	97.3	Very high	140 Å²	140	52.7 Å²	52.7	65%	0.648	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-24	-179.6	-165.9	-63.1	0	0	0	113.5	L346 F383	H344-L346 PolarHBondContact O-N 3.01Å; H344-F383 HydrophobicContact CB-CE2 4.29Å
345	S	96.2	Very high	97.4	Very high	65 Å²	65	51.4 Å²	51.4	46%	0.455	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-14.3	175.6	74.1	0	0	0	0	113.3	D343 Q347	D343-S345 PolarHBondContact O-N 3.22Å; D343-S345 PolarHBondContact OD1-N 3.49Å; D343-S345 PolarHBondContact OD1-OG 2.83Å; D343-S345 VanDerWaalsContact OD2-CB 3.29Å; D343-S345 WeakPolarHBondContact OD2-CB 3.39Å; D343-S345 PolarHBondContact OD2-N 2.86Å; D343-S345 VanDerWaalsContact OD2-N 3.13Å; D343-S345 PolarHBondContact OD2-OG 2.8Å; S345-Q347 PolarHBondContact O-N 3.09Å; S345-Q347 PolarHBondContact OG-N 3.07Å
346	L	96	Very high	97.4	Very high	59 Å²	59	51.8 Å²	51.8	31%	0.309	27%	0.274	S	S	.	.	S	Bend	trans	60.1	14	-172	-49.5	179.7	0	0	0	113.9	D343 H344 F383 F390	D343-L346 PolarHBondContact O-N 2.79Å; D343-L346 VanDerWaalsContact O-N 3.13Å; D343-L346 PolarHBondContact OD1-N 3.23Å; H344-L346 PolarHBondContact O-N 3.01Å; L346-F383 HydrophobicContact CD2-CB 3.43Å; L346-F383 VanDerWaalsContact CD2-CB 3.43Å; L346-F383 HydrophobicContact CD2-CD1 3.75Å; L346-F383 HydrophobicContact CD2-CD2 3.7Å; L346-F383 HydrophobicContact CD2-CE1 4.43Å; L346-F383 HydrophobicContact CD2-CE2 4.42Å; L346-F383 HydrophobicContact CD2-CG 3.33Å; L346-F390 HydrophobicContact CD1-CB 4.5Å; L346-F390 HydrophobicContact CD1-CD2 4.2Å; L346-F390 HydrophobicContact CD1-CG 4.28Å; L346-F390 HydrophobicContact CD2-CB 4.16Å; L346-F390 HydrophobicContact CD2-CD1 3.92Å; L346-F390 HydrophobicContact CD2-CE1 4.48Å; L346-F390 HydrophobicContact CD2-CG 4Å
347	Q	94.2	Very high	97.5	Very high	163 Å²	163	46.3 Å²	46.3	76%	0.762	26%	0.255	S	S	*	.	S	Bend	trans	-105.3	-32.1	180	-60.8	-59	-47.7	0	0	112	S345	S345-Q347 PolarHBondContact O-N 3.09Å; S345-Q347 PolarHBondContact OG-N 3.07Å
348	L	96.7	Very high	97.5	Very high	71 Å²	71	45.4 Å²	45.4	37%	0.372	25%	0.246	S	C	.	.			trans	-99.8	116.3	-174.6	-177.4	63.3	0	0	0	110.5	F342 D343 I350	F342-L348 VanDerWaalsContact CA-O 3.28Å; F342-L348 WeakPolarHBondContact CA-O 3.39Å; D343-L348 HydrophobicContact CB-CB 4.44Å; D343-L348 PolarHBondContact N-O 3.22Å; D343-L348 VanDerWaalsContact N-O 3.16Å; D343-L348 WeakPolarHBondContact OD1-CB 3.4Å; D343-L348 PolarHBondContact OD1-N 2.99Å; D343-L348 VanDerWaalsContact OD1-N 3.12Å; L348-I350 HydrophobicContact CB-CG2 4.42Å; L348-I350 HydrophobicContact CD2-CG2 3.87Å; L348-I350 HydrophobicContact CG-CG2 3.79Å; L348-I350 PolarHBondContact O-N 2.94Å
349	E	97.9	Very high	97.6	Very high	79 Å²	79	43.3 Å²	43.3	37%	0.369	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	124.2	165.1	-170.4	175.4	152.6	0	0	109.3	K340 F342 K372	K340-E349 WeakPolarHBondContact CD-OE2 3.25Å; K340-E349 WeakPolarHBondContact CE-OE2 3.44Å; K340-E349 IonicContact NZ-OE1 3.06Å; K340-E349 IonicContact NZ-OE2 3.73Å; K340-E349 PolarHBondContact NZ-OE2 3.3Å; F342-E349 HydrophobicContact CD1-CB 4.48Å; F342-E349 HydrophobicContact CE1-CB 4.12Å; F342-E349 HydrophobicContact CZ-CB 4.41Å; E349-K372 PolarHBondContact O-NZ 3.3Å; E349-K372 VanDerWaalsContact O-NZ 3.09Å
350	I	98.1	Very high	97.5	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.015	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	-6.2	-174.6	58.4	168.9	0	0	0	112.8	I341 D343 L348 V371 K372 Y375 L382	I341-I350 HydrophobicContact CB-CG1 4.39Å; I341-I350 HydrophobicContact CG2-CD1 4.15Å; I341-I350 HydrophobicContact CG2-CG1 4Å; I341-I350 WeakPolarHBondContact O-CG1 3.5Å; I341-I350 PolarHBondContact O-N 3.41Å; D343-I350 HydrophobicContact CB-CD1 4.4Å; D343-I350 HydrophobicContact CB-CG2 4.15Å; L348-I350 HydrophobicContact CB-CG2 4.42Å; L348-I350 HydrophobicContact CD2-CG2 3.87Å; L348-I350 HydrophobicContact CG-CG2 3.79Å; L348-I350 PolarHBondContact O-N 2.94Å; I350-V371 CarbonylContact O-C 3.44Å; I350-V371 VanDerWaalsContact O-CA 3.32Å; I350-V371 WeakPolarHBondContact O-CA 3.27Å; I350-K372 HydrophobicContact CB-CD 4.28Å; I350-K372 HydrophobicContact CG2-CD 4.23Å; I350-K372 PolarHBondContact O-N 2.85Å; I350-Y375 HydrophobicContact CB-CD2 4.19Å; I350-Y375 HydrophobicContact CB-CE2 4.26Å; I350-Y375 HydrophobicContact CD1-CD1 3.62Å; I350-Y375 HydrophobicContact CD1-CD2 4.25Å; I350-Y375 HydrophobicContact CD1-CE1 4.13Å; I350-Y375 HydrophobicContact CD1-CG 3.73Å; I350-Y375 HydrophobicContact CG2-CD2 4.09Å; I350-Y375 HydrophobicContact CG2-CE1 4.22Å; I350-Y375 HydrophobicContact CG2-CE2 3.66Å; I350-L382 HydrophobicContact CD1-CD1 4.24Å; I350-L382 HydrophobicContact CD1-CD2 3.76Å; I350-L382 HydrophobicContact CD1-CG 4.45Å
351	G	98.2	Very high	97.5	Very high	12 Å²	12	41.6 Å²	41.6	12%	0.124	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.5	-173.8	-177.5	0	0	0	0	0	114.7	I341 Y370	I341-G351 PolarHBondContact N-O 3.42Å; I341-G351 PolarHBondContact O-N 3.24Å; G351-Y370 CarbonylContact C-O 3.59Å; G351-Y370 WeakPolarHBondContact CA-O 3.3Å
352	V	98.6	Very high	97.5	Very high	56 Å²	56	44.4 Å²	44.4	34%	0.339	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	141.4	-175.8	66.2	0	0	0	0	110.9	A339 A369 Y370	A339-V352 WeakPolarHBondContact O-CA 3.36Å; V352-A369 VanDerWaalsContact O-CA 3.23Å; V352-A369 WeakPolarHBondContact O-CA 3.43Å; V352-A369 VanDerWaalsContact O-CB 3.28Å; V352-A369 WeakPolarHBondContact O-CB 3.4Å; V352-Y370 PolarHBondContact N-O 3.39Å; V352-Y370 PolarHBondContact O-N 2.99Å
353	I	98.7	Very high	97.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	131.2	172.6	-62.2	-78.2	0	0	0	109.1	L327 A335 R336 N337 G338 A339 I341 A367 A369 V384	L327-I353 HydrophobicContact CD1-CD1 3.7Å; A335-I353 HydrophobicContact CB-CD1 3.96Å; A335-I353 HydrophobicContact CB-CG1 3.99Å; A335-I353 HydrophobicContact CB-CG2 4.14Å; R336-I353 VanDerWaalsContact O-CG2 3.31Å; R336-I353 WeakPolarHBondContact O-CG2 3.31Å; N337-I353 WeakPolarHBondContact CA-O 3.43Å; G338-I353 PolarHBondContact N-O 2.83Å; A339-I353 HydrophobicContact CB-CB 4.12Å; A339-I353 HydrophobicContact CB-CG1 3.96Å; A339-I353 WeakPolarHBondContact O-CG1 3.21Å; A339-I353 PolarHBondContact O-N 2.87Å; I341-I353 HydrophobicContact CD1-CD1 3.95Å; I341-I353 HydrophobicContact CD1-CG1 4.09Å; I341-I353 HydrophobicContact CG1-CD1 4.32Å; I341-I353 HydrophobicContact CG1-CG1 4.1Å; I353-A367 HydrophobicContact CD1-CB 3.69Å; I353-A367 HydrophobicContact CG2-CB 4.22Å; I353-A369 HydrophobicContact CD1-CB 4.13Å; I353-V384 HydrophobicContact CD1-CG1 4.31Å; I353-V384 HydrophobicContact CD1-CG2 4.08Å; I353-V384 HydrophobicContact CG1-CG1 3.91Å; I353-V384 HydrophobicContact CG1-CG2 4.47Å
354	T	98.7	Very high	97.4	Very high	11 Å²	11	49.2 Å²	49.2	7%	0.067	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	-41.5	175.7	52.9	0	0	0	0	112	S275 D276 N337 M368 Y370	S275-T354 WeakPolarHBondContact O-CB 3.33Å; S275-T354 VanDerWaalsContact O-CG2 3.28Å; S275-T354 WeakPolarHBondContact O-CG2 3.44Å; D276-T354 VanDerWaalsContact OD1-CB 3.24Å; D276-T354 WeakPolarHBondContact OD1-CB 3.46Å; D276-T354 PolarHBondContact OD1-OG1 3.34Å; N337-T354 VanDerWaalsContact CB-O 3.23Å; N337-T354 WeakPolarHBondContact CB-O 2.98Å; N337-T354 PolarHBondContact ND2-O 2.96Å; T354-M368 PolarHBondContact N-O 2.71Å; T354-M368 PolarHBondContact OG1-O 2.74Å; T354-Y370 HydrophobicContact CG2-CD2 3.68Å; T354-Y370 HydrophobicContact CG2-CE2 4.1Å
355	S	98.6	Very high	97.6	Very high	6 Å²	6	42.9 Å²	42.9	4%	0.042	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	144.1	178.5	-65.5	0	0	0	0	109.9	R265 D276 A367 M368	R265-S355 PolarHBondContact NH1-OG 3.08Å; R265-S355 VanDerWaalsContact NH2-CB 3.3Å; R265-S355 PolarHBondContact NH2-OG 3.08Å; D276-S355 VanDerWaalsContact OD1-CB 3.26Å; D276-S355 WeakPolarHBondContact OD1-CB 3.42Å; D276-S355 PolarHBondContact OD1-OG 3.34Å; D276-S355 PolarHBondContact OD2-OG 2.76Å; S355-A367 CarbonylContact O-C 3.42Å; S355-A367 WeakPolarHBondContact O-CA 3.29Å; S355-A367 WeakPolarHBondContact O-CB 3.35Å; S355-M368 PolarHBondContact N-O 2.78Å; S355-M368 PolarHBondContact O-N 3.49Å
356	G	98.2	Very high	97.7	Very high	7 Å²	7	39.8 Å²	39.8	7%	0.072	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.5	134.7	179.4	0	0	0	0	0	114.1	A335 R336 I366	A335-G356 CarbonylContact O-C 3.26Å; A335-G356 VanDerWaalsContact O-C 3.29Å; A335-G356 VanDerWaalsContact O-CA 3.29Å; A335-G356 WeakPolarHBondContact O-CA 3.49Å; R336-G356 PolarHBondContact NH1-O 2.59Å; G356-I366 WeakPolarHBondContact CA-O 3.49Å
357	C	96.9	Very high	97.8	Very high	7 Å²	7	37 Å²	37	5%	0.047	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	171.1	178	78.8	0	0	0	0	111.7	T263 L266 I366	T263-C357 HydrophobicContact CG2-CB 4.31Å; L266-C357 HydrophobicContact CD2-CB 4.26Å; C357-I366 PolarHBondContact N-O 3.4Å; C357-I366 PolarHBondContact O-N 3.32Å; C357-I366 VanDerWaalsContact O-O 3.05Å
358	F	97.7	Very high	98	Very high	80 Å²	80	29.2 Å²	29.2	35%	0.351	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	133.4	161.6	178.8	-100.2	0	0	0	108.5	P360	F358-P360 WeakPolarHBondContact O-CD 3.43Å
359	S	98.2	Very high	98.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	111.3	173.9	162.6	0	0	0	0	109.2	E267 T361 L362 S363 K364	E267-S359 WeakPolarHBondContact OE1-CA 3.16Å; E267-S359 VanDerWaalsContact OE1-CB 3.31Å; E267-S359 WeakPolarHBondContact OE1-CB 3.4Å; E267-S359 PolarHBondContact OE1-OG 3.08Å; S359-T361 VanDerWaalsContact C-N 3.27Å; S359-T361 PolarHBondContact O-N 3.45Å; S359-L362 VanDerWaalsContact OG-CB 3.31Å; S359-L362 WeakPolarHBondContact OG-CB 3.45Å; S359-L362 WeakPolarHBondContact OG-CG 3.46Å; S359-L362 PolarHBondContact OG-N 2.86Å; S359-S363 VanDerWaalsContact O-CA 3.32Å; S359-S363 WeakPolarHBondContact O-CA 3.47Å; S359-S363 PolarHBondContact O-N 3.38Å; S359-K364 WeakPolarHBondContact CB-O 3.45Å; S359-K364 PolarHBondContact N-O 2.89Å
360	P	97.5	Very high	98.2	Very high	7 Å²	7	23.2 Å²	23.2	5%	0.045	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-31.1	175.3	-23.7	37.6	0	0	0	113	I57 H60 Q61 E267 F358	I57-P360 HydrophobicContact CG1-CG 4.29Å; I57-P360 HydrophobicContact CG2-CB 4.26Å; H60-P360 HydrophobicContact CB-CB 4.24Å; H60-P360 HydrophobicContact CB-CG 3.87Å; Q61-P360 HydrophobicContact CG-CB 4.4Å; E267-P360 WeakPolarHBondContact OE1-CD 3.38Å; F358-P360 WeakPolarHBondContact O-CD 3.43Å
361	T	98.2	Very high	98.2	Very high	62 Å²	62	23 Å²	23	38%	0.38	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-44.2	180	-57.4	0	0	0	0	111.8	H60 E267 S359 V401	H60-T361 PolarHBondContact NE2-OG1 3.33Å; E267-T361 VanDerWaalsContact OE1-CB 3.25Å; E267-T361 WeakPolarHBondContact OE1-CB 3.39Å; E267-T361 PolarHBondContact OE1-N 2.99Å; E267-T361 VanDerWaalsContact OE1-N 3.08Å; E267-T361 PolarHBondContact OE1-OG1 3.47Å; E267-T361 WeakPolarHBondContact OE2-CB 3.35Å; E267-T361 PolarHBondContact OE2-OG1 3.22Å; S359-T361 VanDerWaalsContact C-N 3.27Å; S359-T361 PolarHBondContact O-N 3.45Å; T361-V401 HydrophobicContact CG2-CG1 4.06Å; T361-V401 HydrophobicContact CG2-CG2 3.85Å
362	L	97.6	Very high	98.1	Very high	59 Å²	59	25.6 Å²	25.6	31%	0.309	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-13.9	-176.4	-58.4	175.8	0	0	0	113.1	I328 S359 K364 I366 F400 V401	I328-L362 HydrophobicContact CD1-CD1 4.21Å; S359-L362 VanDerWaalsContact OG-CB 3.31Å; S359-L362 WeakPolarHBondContact OG-CB 3.45Å; S359-L362 WeakPolarHBondContact OG-CG 3.46Å; S359-L362 PolarHBondContact OG-N 2.86Å; L362-K364 HydrophobicContact CB-CB 4.3Å; L362-K364 PolarHBondContact O-N 2.8Å; L362-I366 HydrophobicContact CD1-CG2 4.27Å; L362-F400 HydrophobicContact CD1-CB 3.92Å; L362-V401 HydrophobicContact CD1-CG2 4.12Å; L362-V401 HydrophobicContact CD2-CG2 4.02Å; L362-V401 HydrophobicContact CG-CG2 3.86Å
363	S	96.7	Very high	97.9	Very high	84 Å²	84	24.2 Å²	24.2	59%	0.587	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.8	36.3	-169.4	-61	0	0	0	0	113.4	S359	S359-S363 VanDerWaalsContact O-CA 3.32Å; S359-S363 WeakPolarHBondContact O-CA 3.47Å; S359-S363 PolarHBondContact O-N 3.38Å
364	K	97.8	Very high	97.7	Very high	62 Å²	62	30.3 Å²	30.3	27%	0.27	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	163.1	-177.7	-67.9	178.4	-172.1	-160.2	0	110.7	I328 E330 S359 L362	I328-K364 HydrophobicContact CD1-CB 4.22Å; I328-K364 HydrophobicContact CD1-CD 3.67Å; I328-K364 HydrophobicContact CG1-CB 4.09Å; I328-K364 HydrophobicContact CG1-CD 4.07Å; E330-K364 IonicContact OE1-NZ 2.71Å; E330-K364 PolarHBondContact OE1-NZ 2.88Å; E330-K364 WeakPolarHBondContact OE2-CD 3.5Å; E330-K364 WeakPolarHBondContact OE2-CE 3.21Å; E330-K364 IonicContact OE2-NZ 2.92Å; E330-K364 PolarHBondContact OE2-NZ 3.02Å; S359-K364 WeakPolarHBondContact CB-O 3.45Å; S359-K364 PolarHBondContact N-O 2.89Å; L362-K364 HydrophobicContact CB-CB 4.3Å; L362-K364 PolarHBondContact O-N 2.8Å
365	N	98.3	Very high	97.6	Very high	7 Å²	7	31 Å²	31	4%	0.037	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	133.4	170.2	-63.6	-47.5	0	0	0	109.8	I328 C329 G332 P334 Y393	I328-N365 CarbonylContact C-O 3.56Å; I328-N365 WeakPolarHBondContact CA-O 3.4Å; C329-N365 HydrophobicContact CB-CB 4.21Å; C329-N365 PolarHBondContact N-O 3.42Å; C329-N365 PolarHBondContact O-N 3.34Å; G332-N365 PolarHBondContact O-ND2 3.3Å; P334-N365 WeakPolarHBondContact CA-OD1 3.29Å; P334-N365 HydrophobicContact CB-CB 4.45Å; P334-N365 WeakPolarHBondContact CB-OD1 3.45Å; N365-Y393 HydrophobicContact CB-CE1 4.32Å
366	I	98.7	Very high	97.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	150.3	175.3	60.6	170.8	0	0	0	110.3	L266 E267 L327 I328 G356 C357 L362 F400	L266-I366 HydrophobicContact CB-CD1 4.36Å; L266-I366 HydrophobicContact CD2-CD1 4.45Å; L266-I366 HydrophobicContact CD2-CG1 4.23Å; L266-I366 HydrophobicContact CG-CD1 3.84Å; L266-I366 HydrophobicContact CG-CG1 4.11Å; E267-I366 HydrophobicContact CB-CD1 4.23Å; E267-I366 HydrophobicContact CG-CD1 3.58Å; L327-I366 CarbonylContact O-C 3.36Å; L327-I366 VanDerWaalsContact O-CA 3.32Å; L327-I366 WeakPolarHBondContact O-CA 3.43Å; I328-I366 HydrophobicContact CD1-CG2 4.31Å; I328-I366 HydrophobicContact CG1-CG2 4.12Å; G356-I366 WeakPolarHBondContact CA-O 3.49Å; C357-I366 PolarHBondContact N-O 3.4Å; C357-I366 PolarHBondContact O-N 3.32Å; C357-I366 VanDerWaalsContact O-O 3.05Å; L362-I366 HydrophobicContact CD1-CG2 4.27Å; I366-F400 HydrophobicContact CB-CD1 4.04Å; I366-F400 HydrophobicContact CB-CD2 4.36Å; I366-F400 HydrophobicContact CB-CE1 4.01Å; I366-F400 HydrophobicContact CB-CE2 4.33Å; I366-F400 HydrophobicContact CB-CG 4.22Å; I366-F400 HydrophobicContact CB-CZ 4.17Å; I366-F400 HydrophobicContact CD1-CB 4.45Å; I366-F400 HydrophobicContact CD1-CD2 3.87Å; I366-F400 HydrophobicContact CD1-CE2 4.28Å; I366-F400 HydrophobicContact CD1-CG 4.15Å; I366-F400 HydrophobicContact CG2-CB 4.32Å; I366-F400 HydrophobicContact CG2-CD1 3.7Å; I366-F400 HydrophobicContact CG2-CE1 4.1Å; I366-F400 HydrophobicContact CG2-CG 3.96Å
367	A	98.7	Very high	97.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	152.9	177.9	0	0	0	0	0	112.1	G326 L327 A335 I353 S355 F400	G326-A367 CarbonylContact C-O 3.55Å; L327-A367 HydrophobicContact CB-CB 4.32Å; L327-A367 PolarHBondContact N-O 2.93Å; L327-A367 PolarHBondContact O-N 2.66Å; A335-A367 HydrophobicContact CB-CB 4.42Å; I353-A367 HydrophobicContact CD1-CB 3.69Å; I353-A367 HydrophobicContact CG2-CB 4.22Å; S355-A367 CarbonylContact O-C 3.42Å; S355-A367 WeakPolarHBondContact O-CA 3.29Å; S355-A367 WeakPolarHBondContact O-CB 3.35Å; A367-F400 WeakPolarHBondContact O-CZ 3.29Å
368	M	98.9	Very high	97.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	149.1	160.2	-69.8	-175.9	-165.4	0	0	109.6	L266 G269 L270 D276 R324 I325 T354 S355 M398	L266-M368 HydrophobicContact CD1-CB 4.43Å; L266-M368 HydrophobicContact CD1-CE 3.75Å; L266-M368 HydrophobicContact CD1-CG 3.67Å; L266-M368 HydrophobicContact CD1-SD 4.18Å; G269-M368 VanDerWaalsContact CA-CE 3.5Å; G269-M368 WeakPolarHBondContact O-CE 3.46Å; L270-M368 WeakPolarHBondContact O-CE 3.35Å; D276-M368 HydrophobicContact CB-SD 4.27Å; R324-M368 PolarHBondContact NH1-SD 2.77Å; I325-M368 WeakPolarHBondContact O-CA 3.31Å; T354-M368 PolarHBondContact N-O 2.71Å; T354-M368 PolarHBondContact OG1-O 2.74Å; S355-M368 PolarHBondContact N-O 2.78Å; S355-M368 PolarHBondContact O-N 3.49Å; M368-M398 HydrophobicContact CE-SD 3.74Å; M368-M398 HydrophobicContact CG-CE 4.5Å; M368-M398 HydrophobicContact CG-SD 3.72Å; M368-M398 HydrophobicContact SD-SD 4.18Å
369	A	98.8	Very high	97.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	158.7	-179.3	0	0	0	0	0	111.6	R324 I325 L327 I341 V352 I353	R324-A369 CarbonylContact C-O 3.51Å; R324-A369 WeakPolarHBondContact CA-O 3.28Å; I325-A369 HydrophobicContact CG1-CB 4.12Å; I325-A369 PolarHBondContact N-O 2.7Å; I325-A369 PolarHBondContact O-N 2.91Å; I325-A369 VanDerWaalsContact O-N 3.15Å; L327-A369 HydrophobicContact CD1-CB 3.69Å; I341-A369 HydrophobicContact CD1-CB 3.32Å; V352-A369 VanDerWaalsContact O-CA 3.23Å; V352-A369 WeakPolarHBondContact O-CA 3.43Å; V352-A369 VanDerWaalsContact O-CB 3.28Å; V352-A369 WeakPolarHBondContact O-CB 3.4Å; I353-A369 HydrophobicContact CD1-CB 4.13Å
370	Y	98.6	Very high	97.2	Very high	24 Å²	24	48.3 Å²	48.3	9%	0.094	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	128.8	159.3	-79.3	-99.6	0	0	0	109.5	D276 T281 E285 A286 N322 K323 R324 G351 V352 T354	D276-Y370 VanDerWaalsContact O-CE2 3.25Å; D276-Y370 WeakPolarHBondContact O-CE2 3.15Å; D276-Y370 PolarHBondContact O-OH 2.8Å; T281-Y370 HydrophobicContact CG2-CE1 4.12Å; T281-Y370 HydrophobicContact CG2-CE2 4.32Å; E285-Y370 HydrophobicContact CB-CE1 4.08Å; E285-Y370 WeakPolarHBondContact O-CE1 3.03Å; A286-Y370 VanDerWaalsContact CA-OH 3.31Å; A286-Y370 WeakPolarHBondContact CA-OH 3.4Å; A286-Y370 WeakPolarHBondContact CB-OH 3.48Å; N322-Y370 HydrophobicContact CB-CD1 4.17Å; K323-Y370 WeakPolarHBondContact O-CA 3.14Å; R324-Y370 HydrophobicContact CB-CD1 4.42Å; R324-Y370 HydrophobicContact CB-CD2 4.46Å; R324-Y370 HydrophobicContact CB-CE1 4.02Å; R324-Y370 HydrophobicContact CB-CE2 4.05Å; R324-Y370 HydrophobicContact CG-CE2 4.2Å; G351-Y370 CarbonylContact C-O 3.59Å; G351-Y370 WeakPolarHBondContact CA-O 3.3Å; V352-Y370 PolarHBondContact N-O 3.39Å; V352-Y370 PolarHBondContact O-N 2.99Å; T354-Y370 HydrophobicContact CG2-CD2 3.68Å; T354-Y370 HydrophobicContact CG2-CE2 4.1Å
371	V	98.1	Very high	97.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	156.3	173.1	-61	0	0	0	0	110.4	N322 K323 I325 I341 I350 S373 C376 L382	N322-V371 CarbonylContact C-O 3.29Å; N322-V371 WeakPolarHBondContact CA-O 3.23Å; K323-V371 PolarHBondContact N-O 3.21Å; K323-V371 PolarHBondContact O-N 3.47Å; K323-V371 VanDerWaalsContact O-N 3.08Å; I325-V371 HydrophobicContact CD1-CB 4.32Å; I325-V371 HydrophobicContact CD1-CG1 3.72Å; I325-V371 HydrophobicContact CD1-CG2 3.6Å; I325-V371 HydrophobicContact CG1-CG1 4.25Å; I325-V371 HydrophobicContact CG1-CG2 3.95Å; I325-V371 HydrophobicContact CG2-CG2 4.02Å; I341-V371 HydrophobicContact CD1-CG1 3.84Å; I341-V371 HydrophobicContact CG2-CG1 4.26Å; I350-V371 CarbonylContact O-C 3.44Å; I350-V371 VanDerWaalsContact O-CA 3.32Å; I350-V371 WeakPolarHBondContact O-CA 3.27Å; V371-S373 PolarHBondContact O-N 3.08Å; V371-C376 HydrophobicContact CG2-CB 4.32Å; V371-L382 HydrophobicContact CG1-CD1 3.94Å
372	K	97	Very high	97.2	Very high	66 Å²	66	49.3 Å²	49.3	29%	0.287	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-49	134.9	169	-74.2	172	-176.4	163.7	0	110.1	K321 E349 I350 E374 Y375	K321-K372 VanDerWaalsContact O-CA 3.29Å; K321-K372 WeakPolarHBondContact O-CA 3.41Å; E349-K372 PolarHBondContact O-NZ 3.3Å; E349-K372 VanDerWaalsContact O-NZ 3.09Å; I350-K372 HydrophobicContact CB-CD 4.28Å; I350-K372 HydrophobicContact CG2-CD 4.23Å; I350-K372 PolarHBondContact O-N 2.85Å; K372-E374 HydrophobicContact CB-CG 4.43Å; K372-E374 PolarHBondContact O-N 3.25Å; K372-Y375 HydrophobicContact CB-CD2 3.78Å; K372-Y375 HydrophobicContact CB-CE2 4.22Å; K372-Y375 HydrophobicContact CD-CE2 4.38Å; K372-Y375 PolarHBondContact O-N 2.85Å
373	S	94.1	Very high	97.3	Very high	27 Å²	27	47.9 Å²	47.9	19%	0.189	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-58.1	-28.6	-169.9	-64.4	0	0	0	0	114.6	L320 K321 V371 Y375 C376	L320-S373 VanDerWaalsContact C-OG 3.29Å; L320-S373 VanDerWaalsContact CB-OG 3.28Å; L320-S373 WeakPolarHBondContact CB-OG 3.24Å; L320-S373 VanDerWaalsContact O-CB 3.27Å; L320-S373 WeakPolarHBondContact O-CB 3.3Å; L320-S373 PolarHBondContact O-OG 3.16Å; K321-S373 PolarHBondContact O-N 2.84Å; K321-S373 VanDerWaalsContact O-N 3.1Å; V371-S373 PolarHBondContact O-N 3.08Å; S373-Y375 PolarHBondContact O-N 3.3Å; S373-C376 PolarHBondContact O-N 2.87Å; S373-C376 PolarHBondContact O-SG 2.58Å
374	E	94.3	Very high	97.3	Very high	127 Å²	127	43.9 Å²	43.9	59%	0.593	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-69.4	-6.1	175.6	68.9	-159.4	-157.4	0	0	114.3	K372 R380	K372-E374 HydrophobicContact CB-CG 4.43Å; K372-E374 PolarHBondContact O-N 3.25Å; E374-R380 PolarHBondContact O-NH1 3.46Å
375	Y	96.3	Very high	97.3	Very high	27 Å²	27	43.2 Å²	43.2	11%	0.106	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-113.3	10.8	177.3	-61.9	-94.5	0	0	0	113.4	D343 I350 K372 S373 L382	D343-Y375 HydrophobicContact CB-CE1 3.9Å; I350-Y375 HydrophobicContact CB-CD2 4.19Å; I350-Y375 HydrophobicContact CB-CE2 4.26Å; I350-Y375 HydrophobicContact CD1-CD1 3.62Å; I350-Y375 HydrophobicContact CD1-CD2 4.25Å; I350-Y375 HydrophobicContact CD1-CE1 4.13Å; I350-Y375 HydrophobicContact CD1-CG 3.73Å; I350-Y375 HydrophobicContact CG2-CD2 4.09Å; I350-Y375 HydrophobicContact CG2-CE1 4.22Å; I350-Y375 HydrophobicContact CG2-CE2 3.66Å; K372-Y375 HydrophobicContact CB-CD2 3.78Å; K372-Y375 HydrophobicContact CB-CE2 4.22Å; K372-Y375 HydrophobicContact CD-CE2 4.38Å; K372-Y375 PolarHBondContact O-N 2.85Å; S373-Y375 PolarHBondContact O-N 3.3Å; Y375-L382 HydrophobicContact CD1-CD2 4.08Å
376	C	95.4	Very high	97.3	Very high	29 Å²	29	43.7 Å²	43.7	20%	0.196	21%	0.211	C	C	.	.			trans	-90.7	5.6	-172.7	77.5	0	0	0	0	115.5	K323 I325 V371 S373	K323-C376 HydrophobicContact CD-CB 4.21Å; I325-C376 HydrophobicContact CG2-CB 3.67Å; V371-C376 HydrophobicContact CG2-CB 4.32Å; S373-C376 PolarHBondContact O-N 2.87Å; S373-C376 PolarHBondContact O-SG 2.58Å
377	E	95.2	Very high	97.1	Very high	126 Å²	126	52.3 Å²	52.3	59%	0.589	24%	0.244	S	C	*	.			trans	-67.2	136	179.8	-65.7	170.2	163.9	0	0	110.7	R380 V395	E377-R380 VanDerWaalsContact O-CB 3.24Å; E377-R380 WeakPolarHBondContact O-CB 3.14Å; E377-R380 PolarHBondContact O-N 3.46Å; E377-R380 IonicContact OE2-NH1 3.23Å; E377-V395 VanDerWaalsContact O-CB 3.23Å; E377-V395 WeakPolarHBondContact O-CB 3.38Å; E377-V395 VanDerWaalsContact O-CG1 3.32Å; E377-V395 WeakPolarHBondContact O-CG1 3.36Å
378	N	96.4	Very high	96.8	Very high	89 Å²	89	59.6 Å²	59.6	48%	0.476	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	153.1	173.6	-68.5	-27.8	0	0	0	110.4	R380	N378-R380 PolarHBondContact O-N 2.85Å
379	D	97.5	Very high	96.7	Very high	137 Å²	137	66 Å²	66	73%	0.733	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.1	-1.1	179.7	-49.7	-53.4	0	0	0	114.7	V395	D379-V395 PolarHBondContact N-O 3.41Å
380	R	97.3	Very high	96.6	Very high	81 Å²	81	69.4 Å²	69.4	31%	0.306	32%	0.32	S	S	.	.			trans	-70	134.1	172.2	-169.3	169.3	-171.6	153.2	-10.4	110.8	E374 E377 N378 L382 T394 V395	E374-R380 PolarHBondContact O-NH1 3.46Å; E377-R380 VanDerWaalsContact O-CB 3.24Å; E377-R380 WeakPolarHBondContact O-CB 3.14Å; E377-R380 PolarHBondContact O-N 3.46Å; E377-R380 IonicContact OE2-NH1 3.23Å; N378-R380 PolarHBondContact O-N 2.85Å; R380-L382 HydrophobicContact CG-CD2 4.09Å; R380-T394 WeakPolarHBondContact O-CA 3.23Å; R380-V395 HydrophobicContact CB-CG2 4.17Å; R380-V395 WeakPolarHBondContact O-CG2 3.4Å; R380-V395 PolarHBondContact O-N 3.44Å
381	Q	98	Very high	96.6	Very high	89 Å²	89	70.9 Å²	70.9	42%	0.416	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	128.6	173.5	-171.9	174.9	98.4	0	0	110.9	F383 P392	Q381-F383 HydrophobicContact CG-CE2 4.41Å; Q381-F383 HydrophobicContact CG-CZ 4.38Å; Q381-F383 VanDerWaalsContact OE1-CZ 3.29Å; Q381-P392 HydrophobicContact CG-CB 4.01Å
382	L	98.1	Very high	96.6	Very high	1 Å²	1	73.7 Å²	73.7	1%	0.005	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	166.1	173.5	-50	-177.7	0	0	0	109.4	I325 L327 I341 I350 V371 Y375 R380 P392 Y393 V395	I325-L382 HydrophobicContact CD1-CD1 4.05Å; L327-L382 HydrophobicContact CD2-CD1 4.19Å; I341-L382 HydrophobicContact CG2-CB 3.87Å; I341-L382 HydrophobicContact CG2-CD1 4Å; I350-L382 HydrophobicContact CD1-CD1 4.24Å; I350-L382 HydrophobicContact CD1-CD2 3.76Å; I350-L382 HydrophobicContact CD1-CG 4.45Å; V371-L382 HydrophobicContact CG1-CD1 3.94Å; Y375-L382 HydrophobicContact CD1-CD2 4.08Å; R380-L382 HydrophobicContact CG-CD2 4.09Å; L382-P392 WeakPolarHBondContact O-CA 3.48Å; L382-Y393 PolarHBondContact N-O 3.28Å; L382-Y393 PolarHBondContact O-N 3.37Å; L382-Y393 VanDerWaalsContact O-O 3.08Å; L382-V395 HydrophobicContact CD1-CG2 3.75Å; L382-V395 HydrophobicContact CG-CG2 3.97Å
383	F	98.3	Very high	96.6	Very high	29 Å²	29	70.6 Å²	70.6	13%	0.127	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	118.6	-176.3	-67.9	-91	0	0	0	111.5	I341 F342 D343 H344 L346 Q381 F390 Y391 P392	I341-F383 CarbonylContact C-O 3.58Å; I341-F383 WeakPolarHBondContact CA-O 3.28Å; F342-F383 HydrophobicContact CB-CB 4.42Å; F342-F383 PolarHBondContact N-O 2.93Å; F342-F383 PolarHBondContact O-N 2.96Å; D343-F383 WeakPolarHBondContact O-CD2 3.38Å; H344-F383 HydrophobicContact CB-CE2 4.29Å; L346-F383 HydrophobicContact CD2-CB 3.43Å; L346-F383 VanDerWaalsContact CD2-CB 3.43Å; L346-F383 HydrophobicContact CD2-CD1 3.75Å; L346-F383 HydrophobicContact CD2-CD2 3.7Å; L346-F383 HydrophobicContact CD2-CE1 4.43Å; L346-F383 HydrophobicContact CD2-CE2 4.42Å; L346-F383 HydrophobicContact CD2-CG 3.33Å; Q381-F383 HydrophobicContact CG-CE2 4.41Å; Q381-F383 HydrophobicContact CG-CZ 4.38Å; Q381-F383 VanDerWaalsContact OE1-CZ 3.29Å; F383-F390 HydrophobicContact CB-CB 4.34Å; F383-F390 HydrophobicContact CB-CD1 4.26Å; F383-F390 HydrophobicContact CD1-CB 4.36Å; F383-Y391 WeakPolarHBondContact CA-O 3.35Å; F383-P392 HydrophobicContact CD1-CB 4.44Å; F383-P392 HydrophobicContact CE1-CB 4.1Å
384	V	98.5	Very high	96.9	Very high	0 Å²	0	71.5 Å²	71.5	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	126.3	177.8	-174.1	0	0	0	0	109.4	A335 A339 K340 I341 I353 I386 F390 Y391 Y393	A335-V384 HydrophobicContact CB-CG1 3.93Å; A339-V384 HydrophobicContact CB-CG1 3.83Å; K340-V384 WeakPolarHBondContact O-CA 3.42Å; I341-V384 HydrophobicContact CG1-CG2 4.34Å; I353-V384 HydrophobicContact CD1-CG1 4.31Å; I353-V384 HydrophobicContact CD1-CG2 4.08Å; I353-V384 HydrophobicContact CG1-CG1 3.91Å; I353-V384 HydrophobicContact CG1-CG2 4.47Å; V384-I386 HydrophobicContact CG1-CD1 4.3Å; V384-I386 HydrophobicContact CG1-CG1 3.94Å; V384-I386 PolarHBondContact O-N 2.84Å; V384-F390 WeakPolarHBondContact O-CA 3.24Å; V384-Y391 PolarHBondContact N-O 3.05Å; V384-Y391 PolarHBondContact O-N 3.28Å; V384-Y393 HydrophobicContact CB-CD2 3.79Å; V384-Y393 HydrophobicContact CB-CE2 3.96Å; V384-Y393 HydrophobicContact CG2-CD1 4.38Å; V384-Y393 HydrophobicContact CG2-CD2 3.41Å; V384-Y393 VanDerWaalsContact CG2-CD2 3.41Å; V384-Y393 HydrophobicContact CG2-CE2 3.94Å; V384-Y393 HydrophobicContact CG2-CG 3.67Å
385	Q	97.9	Very high	97.1	Very high	48 Å²	48	65.5 Å²	65.5	22%	0.224	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	114.8	176.6	-168.9	-176.9	44.2	0	0	110.4	K340 F342 K389 F390	K340-Q385 PolarHBondContact O-N 3.47Å; F342-Q385 HydrophobicContact CD2-CB 4.27Å; F342-Q385 HydrophobicContact CE2-CB 3.89Å; Q385-K389 CarbonylContact C-O 3.57Å; Q385-K389 WeakPolarHBondContact CA-O 2.83Å; Q385-F390 HydrophobicContact CB-CD1 4.11Å; Q385-F390 HydrophobicContact CB-CE1 3.93Å; Q385-F390 HydrophobicContact CG-CD1 4.44Å; Q385-F390 HydrophobicContact CG-CE1 4.09Å; Q385-F390 HydrophobicContact CG-CZ 4.27Å
386	I	96.9	Very high	97.1	Very high	18 Å²	18	66.1 Å²	66.1	9%	0.092	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	116	178.9	-51.5	172.9	0	0	0	108.5	P333 A335 V384 Q388 K389 Y391 Y393	P333-I386 HydrophobicContact CB-CG2 4.24Å; P333-I386 HydrophobicContact CG-CB 4.19Å; P333-I386 HydrophobicContact CG-CD1 4.07Å; P333-I386 HydrophobicContact CG-CG2 3.71Å; P333-I386 VanDerWaalsContact O-CD1 3.27Å; P333-I386 WeakPolarHBondContact O-CD1 3.31Å; A335-I386 HydrophobicContact CB-CD1 4.13Å; V384-I386 HydrophobicContact CG1-CD1 4.3Å; V384-I386 HydrophobicContact CG1-CG1 3.94Å; V384-I386 PolarHBondContact O-N 2.84Å; I386-Q388 VanDerWaalsContact C-N 3.31Å; I386-Q388 PolarHBondContact O-N 2.67Å; I386-K389 PolarHBondContact N-O 3.33Å; I386-K389 PolarHBondContact O-N 2.84Å; I386-K389 VanDerWaalsContact O-N 3.07Å; I386-Y391 HydrophobicContact CB-CD2 3.93Å; I386-Y391 HydrophobicContact CB-CE2 3.91Å; I386-Y391 HydrophobicContact CD1-CD2 3.98Å; I386-Y391 HydrophobicContact CG1-CD2 4.13Å; I386-Y393 HydrophobicContact CD1-CE2 4.34Å
387	R	94.1	Very high	97.3	Very high	181 Å²	181	72.2 Å²	72.2	68%	0.683	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	50.2	-178.6	-58.3	177.2	-178.5	173	0.4	112	K389	R387-K389 PolarHBondContact O-N 3.27Å; R387-K389 VanDerWaalsContact O-N 3.17Å
388	Q	92.8	Very high	97.4	Very high	153 Å²	153	68 Å²	68	72%	0.715	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	9.3	-178.5	-51.1	-63.5	44.3	0	0	116.7	I386	I386-Q388 VanDerWaalsContact C-N 3.31Å; I386-Q388 PolarHBondContact O-N 2.67Å
389	K	96.7	Very high	97.5	Very high	135 Å²	135	66.4 Å²	66.4	59%	0.587	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.8	145.5	171.4	-65.8	-174.4	178	-174	0	110.2	Q385 I386 R387 Y391	Q385-K389 CarbonylContact C-O 3.57Å; Q385-K389 WeakPolarHBondContact CA-O 2.83Å; I386-K389 PolarHBondContact N-O 3.33Å; I386-K389 PolarHBondContact O-N 2.84Å; I386-K389 VanDerWaalsContact O-N 3.07Å; R387-K389 PolarHBondContact O-N 3.27Å; R387-K389 VanDerWaalsContact O-N 3.17Å; K389-Y391 HydrophobicContact CB-CD2 4.5Å; K389-Y391 HydrophobicContact CB-CE2 3.69Å
390	F	97.5	Very high	97.5	Very high	70 Å²	70	61 Å²	61	31%	0.307	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	130.5	177.4	-63.3	-87.7	0	0	0	109.8	F342 L346 F383 V384 Q385	F342-F390 HydrophobicContact CB-CE1 4.3Å; F342-F390 HydrophobicContact CD1-CE1 4.34Å; F342-F390 HydrophobicContact CD2-CD1 4.17Å; F342-F390 AromaticContact CD2-CE1 3.52Å; F342-F390 HydrophobicContact CD2-CE1 3.52Å; F342-F390 AromaticContact CE2-CE1 3.8Å; F342-F390 HydrophobicContact CE2-CE1 3.8Å; F342-F390 HydrophobicContact CG-CD1 4.49Å; F342-F390 AromaticContact CG-CE1 3.8Å; F342-F390 HydrophobicContact CG-CE1 3.8Å; F342-F390 HydrophobicContact CZ-CE1 4.35Å; L346-F390 HydrophobicContact CD1-CB 4.5Å; L346-F390 HydrophobicContact CD1-CD2 4.2Å; L346-F390 HydrophobicContact CD1-CG 4.28Å; L346-F390 HydrophobicContact CD2-CB 4.16Å; L346-F390 HydrophobicContact CD2-CD1 3.92Å; L346-F390 HydrophobicContact CD2-CE1 4.48Å; L346-F390 HydrophobicContact CD2-CG 4Å; F383-F390 HydrophobicContact CB-CB 4.34Å; F383-F390 HydrophobicContact CB-CD1 4.26Å; F383-F390 HydrophobicContact CD1-CB 4.36Å; V384-F390 WeakPolarHBondContact O-CA 3.24Å; Q385-F390 HydrophobicContact CB-CD1 4.11Å; Q385-F390 HydrophobicContact CB-CE1 3.93Å; Q385-F390 HydrophobicContact CG-CD1 4.44Å; Q385-F390 HydrophobicContact CG-CE1 4.09Å; Q385-F390 HydrophobicContact CG-CZ 4.27Å
391	Y	98	Very high	97.6	Very high	55 Å²	55	58.1 Å²	58.1	22%	0.216	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	134.5	176.6	-64.1	-90.5	0	0	0	109.4	P333 F383 V384 I386 K389 Y393	P333-Y391 VanDerWaalsContact CD-CE1 3.46Å; P333-Y391 HydrophobicContact CG-CD2 4.37Å; P333-Y391 HydrophobicContact CG-CE1 4.37Å; P333-Y391 HydrophobicContact CG-CE2 3.81Å; F383-Y391 WeakPolarHBondContact CA-O 3.35Å; V384-Y391 PolarHBondContact N-O 3.05Å; V384-Y391 PolarHBondContact O-N 3.28Å; I386-Y391 HydrophobicContact CB-CD2 3.93Å; I386-Y391 HydrophobicContact CB-CE2 3.91Å; I386-Y391 HydrophobicContact CD1-CD2 3.98Å; I386-Y391 HydrophobicContact CG1-CD2 4.13Å; K389-Y391 HydrophobicContact CB-CD2 4.5Å; K389-Y391 HydrophobicContact CB-CE2 3.69Å; Y391-Y393 PolarHBondContact O-N 2.95Å
392	P	97.8	Very high	97.6	Very high	60 Å²	60	57.6 Å²	57.6	39%	0.39	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	124.8	178.6	29.7	-32.9	0	0	0	109.8	C329 Q381 L382 F383	C329-P392 PolarHBondContact SG-O 3.23Å; Q381-P392 HydrophobicContact CG-CB 4.01Å; L382-P392 WeakPolarHBondContact O-CA 3.48Å; F383-P392 HydrophobicContact CD1-CB 4.44Å; F383-P392 HydrophobicContact CE1-CB 4.1Å
393	Y	98.5	Very high	97.6	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	139.4	168.8	-81.5	-111.8	0	0	0	108.6	L327 I328 C329 P333 A335 N365 L382 V384 I386 Y391	L327-Y393 HydrophobicContact CB-CD1 3.83Å; L327-Y393 HydrophobicContact CB-CG 4.44Å; I328-Y393 CarbonylContact O-C 3.54Å; I328-Y393 WeakPolarHBondContact O-CA 3.37Å; C329-Y393 HydrophobicContact CB-CD1 3.45Å; C329-Y393 VanDerWaalsContact CB-CD1 3.45Å; C329-Y393 HydrophobicContact CB-CD2 3.6Å; C329-Y393 HydrophobicContact CB-CE1 3.33Å; C329-Y393 HydrophobicContact CB-CE2 3.46Å; C329-Y393 VanDerWaalsContact CB-CE2 3.46Å; C329-Y393 HydrophobicContact CB-CG 3.6Å; P333-Y393 PolarHBondContact O-OH 2.87Å; A335-Y393 HydrophobicContact CB-CE1 4.35Å; A335-Y393 PolarHBondContact N-OH 3.17Å; N365-Y393 HydrophobicContact CB-CE1 4.32Å; L382-Y393 PolarHBondContact N-O 3.28Å; L382-Y393 PolarHBondContact O-N 3.37Å; L382-Y393 VanDerWaalsContact O-O 3.08Å; V384-Y393 HydrophobicContact CB-CD2 3.79Å; V384-Y393 HydrophobicContact CB-CE2 3.96Å; V384-Y393 HydrophobicContact CG2-CD1 4.38Å; V384-Y393 HydrophobicContact CG2-CD2 3.41Å; V384-Y393 VanDerWaalsContact CG2-CD2 3.41Å; V384-Y393 HydrophobicContact CG2-CE2 3.94Å; V384-Y393 HydrophobicContact CG2-CG 3.67Å; I386-Y393 HydrophobicContact CD1-CE2 4.34Å; Y391-Y393 PolarHBondContact O-N 2.95Å
394	T	98.4	Very high	97.6	Very high	47 Å²	47	63.9 Å²	63.9	29%	0.288	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	132.2	176.9	-56.3	0	0	0	0	109.5	L327 I328 R380 T396	L327-T394 WeakPolarHBondContact CA-O 3.39Å; I328-T394 PolarHBondContact N-O 2.88Å; I328-T394 PolarHBondContact O-N 3.45Å; R380-T394 WeakPolarHBondContact O-CA 3.23Å; T394-T396 PolarHBondContact O-N 2.82Å
395	V	98.6	Very high	97.6	Very high	1 Å²	1	65.5 Å²	65.5	1%	0.006	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	124.6	171.6	-177.5	0	0	0	0	108.8	I325 G326 L327 E377 D379 R380 L382	I325-V395 HydrophobicContact CB-CG1 4.25Å; I325-V395 HydrophobicContact CD1-CG1 4.19Å; I325-V395 HydrophobicContact CD1-CG2 3.82Å; I325-V395 HydrophobicContact CG2-CG1 4.39Å; G326-V395 WeakPolarHBondContact O-CA 3.37Å; L327-V395 HydrophobicContact CD2-CG2 3.93Å; E377-V395 VanDerWaalsContact O-CB 3.23Å; E377-V395 WeakPolarHBondContact O-CB 3.38Å; E377-V395 VanDerWaalsContact O-CG1 3.32Å; E377-V395 WeakPolarHBondContact O-CG1 3.36Å; D379-V395 PolarHBondContact N-O 3.41Å; R380-V395 HydrophobicContact CB-CG2 4.17Å; R380-V395 WeakPolarHBondContact O-CG2 3.4Å; R380-V395 PolarHBondContact O-N 3.44Å; L382-V395 HydrophobicContact CD1-CG2 3.75Å; L382-V395 HydrophobicContact CG-CG2 3.97Å
396	T	98.1	Very high	97.6	Very high	40 Å²	40	65.5 Å²	65.5	25%	0.245	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	151.9	-178.2	-172.6	0	0	0	0	111.5	G326 I328 T394 F400	G326-T396 PolarHBondContact O-N 3.42Å; I328-T396 HydrophobicContact CB-CG2 4Å; I328-T396 HydrophobicContact CG2-CG2 4.02Å; T394-T396 PolarHBondContact O-N 2.82Å; T396-F400 HydrophobicContact CG2-CD1 3.54Å; T396-F400 HydrophobicContact CG2-CE1 3.38Å
397	K	97.9	Very high	97.4	Very high	156 Å²	156	72 Å²	72	68%	0.678	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-64.1	141	173.7	-173	178.4	177.4	-173.9	0	110
398	M	98.1	Very high	97.2	Very high	39 Å²	39	70.5 Å²	70.5	19%	0.192	34%	0.344	C	S	.	.	S	Bend	trans	-101.3	148.3	168.9	-70.2	180	-68.3	0	0	110.7	R324 M368 F400	R324-M398 VanDerWaalsContact NH1-CE 3.26Å; M368-M398 HydrophobicContact CE-SD 3.74Å; M368-M398 HydrophobicContact CG-CE 4.5Å; M368-M398 HydrophobicContact CG-SD 3.72Å; M368-M398 HydrophobicContact SD-SD 4.18Å; M398-F400 HydrophobicContact CG-CD2 4.14Å; M398-F400 HydrophobicContact CG-CE1 4.33Å; M398-F400 HydrophobicContact CG-CE2 3.67Å; M398-F400 HydrophobicContact CG-CZ 3.77Å; M398-F400 HydrophobicContact SD-CE2 3.77Å; M398-F400 HydrophobicContact SD-CZ 3.94Å
399	P	98.5	Very high	96.5	Very high	54 Å²	54	72.3 Å²	72.3	35%	0.351	37%	0.374	S	S	.	.	P	Polyproline II helix	cis	-70.1	154	2.3	35	-40.1	0	0	0	112.8	A268 V401 T403	A268-P399 VanDerWaalsContact C-CB 3.5Å; A268-P399 WeakPolarHBondContact O-CB 3.28Å; P399-V401 VanDerWaalsContact CB-O 3.31Å; P399-V401 WeakPolarHBondContact CB-O 3.18Å; P399-T403 HydrophobicContact CB-CG2 4.43Å; P399-T403 HydrophobicContact CG-CG2 4.29Å
400	F	98.5	Very high	96.5	Very high	23 Å²	23	69.2 Å²	69.2	10%	0.101	36%	0.363	C	S	.	.	S	Bend	trans	-73.4	-34.1	178	-56.4	-89.6	0	0	0	111.3	L266 E267 L327 L362 I366 A367 T396 M398	L266-F400 HydrophobicContact CD1-CE2 4.3Å; L266-F400 WeakPolarHBondContact O-CD2 3.47Å; L266-F400 WeakPolarHBondContact O-CE2 3.23Å; E267-F400 PolarHBondContact O-N 2.91Å; L327-F400 WeakPolarHBondContact O-CE1 3.46Å; L362-F400 HydrophobicContact CD1-CB 3.92Å; I366-F400 HydrophobicContact CB-CD1 4.04Å; I366-F400 HydrophobicContact CB-CD2 4.36Å; I366-F400 HydrophobicContact CB-CE1 4.01Å; I366-F400 HydrophobicContact CB-CE2 4.33Å; I366-F400 HydrophobicContact CB-CG 4.22Å; I366-F400 HydrophobicContact CB-CZ 4.17Å; I366-F400 HydrophobicContact CD1-CB 4.45Å; I366-F400 HydrophobicContact CD1-CD2 3.87Å; I366-F400 HydrophobicContact CD1-CE2 4.28Å; I366-F400 HydrophobicContact CD1-CG 4.15Å; I366-F400 HydrophobicContact CG2-CB 4.32Å; I366-F400 HydrophobicContact CG2-CD1 3.7Å; I366-F400 HydrophobicContact CG2-CE1 4.1Å; I366-F400 HydrophobicContact CG2-CG 3.96Å; A367-F400 WeakPolarHBondContact O-CZ 3.29Å; T396-F400 HydrophobicContact CG2-CD1 3.54Å; T396-F400 HydrophobicContact CG2-CE1 3.38Å; M398-F400 HydrophobicContact CG-CD2 4.14Å; M398-F400 HydrophobicContact CG-CE1 4.33Å; M398-F400 HydrophobicContact CG-CE2 3.67Å; M398-F400 HydrophobicContact CG-CZ 3.77Å; M398-F400 HydrophobicContact SD-CE2 3.77Å; M398-F400 HydrophobicContact SD-CZ 3.94Å
401	V	98.5	Very high	96.5	Very high	21 Å²	21	69.2 Å²	69.2	13%	0.127	37%	0.366	C	S	.	.	S	Bend	trans	-114.9	129.2	171.9	179.1	0	0	0	0	107.8	E267 T361 L362 P399 T403	E267-V401 HydrophobicContact CB-CB 4.19Å; E267-V401 HydrophobicContact CB-CG2 3.89Å; E267-V401 HydrophobicContact CG-CG2 3.93Å; E267-V401 PolarHBondContact O-N 3.33Å; T361-V401 HydrophobicContact CG2-CG1 4.06Å; T361-V401 HydrophobicContact CG2-CG2 3.85Å; L362-V401 HydrophobicContact CD1-CG2 4.12Å; L362-V401 HydrophobicContact CD2-CG2 4.02Å; L362-V401 HydrophobicContact CG-CG2 3.86Å; P399-V401 VanDerWaalsContact CB-O 3.31Å; P399-V401 WeakPolarHBondContact CB-O 3.18Å; V401-T403 PolarHBondContact O-N 3.11Å
402	A	98.2	Very high	96.4	Very high	79 Å²	79	69.9 Å²	69.9	65%	0.653	38%	0.375	S	S	*	.			trans	-57.9	136.7	-179.8	0	0	0	0	0	111.2
403	T	98.3	Very high	96.3	Very high	54 Å²	54	70.5 Å²	70.5	33%	0.331	37%	0.374	S	S	.	.			trans	-80.3	151.6	-179.9	58.6	0	0	0	0	111.6	G227 A268 P399 V401 Y405	G227-T403 CarbonylContact O-C 3.48Å; G227-T403 WeakPolarHBondContact O-CA 3.45Å; G227-T403 WeakPolarHBondContact O-CB 3.2Å; A268-T403 HydrophobicContact CB-CG2 4.47Å; P399-T403 HydrophobicContact CB-CG2 4.43Å; P399-T403 HydrophobicContact CG-CG2 4.29Å; V401-T403 PolarHBondContact O-N 3.11Å; T403-Y405 HydrophobicContact CG2-CD2 4.33Å; T403-Y405 HydrophobicContact CG2-CE2 3.67Å
404	K	97.9	Very high	96.1	Very high	107 Å²	107	74.9 Å²	74.9	47%	0.465	40%	0.397	S	S	.	.			trans	-118.1	34.4	-177.8	-51.2	-167.6	-154.4	127.9	0	112.6	G227 E228 D229	G227-K404 PolarHBondContact O-N 3.38Å; E228-K404 IonicContact OE1-NZ 3.41Å; E228-K404 PolarHBondContact OE1-NZ 3.26Å; E228-K404 VanDerWaalsContact OE1-NZ 3.17Å; E228-K404 WeakPolarHBondContact OE2-CD 3.42Å; E228-K404 WeakPolarHBondContact OE2-CE 3.36Å; E228-K404 IonicContact OE2-NZ 2.73Å; E228-K404 PolarHBondContact OE2-NZ 3.03Å; D229-K404 PolarHBondContact N-O 3Å
405	Y	97.9	Very high	96	Very high	34 Å²	34	76.8 Å²	76.8	13%	0.133	40%	0.404	C	S	.	.			trans	-63.9	137	177.8	-56.5	-46.5	0	0	0	111.8	F199 G227 E228 T403 R407	F199-Y405 HydrophobicContact CD1-CD2 4.37Å; F199-Y405 HydrophobicContact CD1-CG 4.19Å; F199-Y405 AromaticContact CD2-CD1 3.72Å; F199-Y405 HydrophobicContact CD2-CD1 3.72Å; F199-Y405 HydrophobicContact CD2-CE1 4.41Å; F199-Y405 AromaticContact CD2-CG 3.81Å; F199-Y405 HydrophobicContact CD2-CG 3.81Å; F199-Y405 AromaticContact CE1-CD2 3.93Å; F199-Y405 HydrophobicContact CE1-CD2 3.93Å; F199-Y405 HydrophobicContact CE1-CE2 4.29Å; F199-Y405 HydrophobicContact CE1-CG 4.08Å; F199-Y405 AromaticContact CE2-CD1 3.42Å; F199-Y405 HydrophobicContact CE2-CD1 3.42Å; F199-Y405 VanDerWaalsContact CE2-CD1 3.42Å; F199-Y405 HydrophobicContact CE2-CD2 4.17Å; F199-Y405 AromaticContact CE2-CE1 3.67Å; F199-Y405 HydrophobicContact CE2-CE1 3.67Å; F199-Y405 HydrophobicContact CE2-CE2 4.36Å; F199-Y405 AromaticContact CE2-CG 3.69Å; F199-Y405 HydrophobicContact CE2-CG 3.69Å; F199-Y405 HydrophobicContact CG-CD1 4.42Å; F199-Y405 HydrophobicContact CG-CG 4.06Å; F199-Y405 AromaticContact CZ-CD1 3.92Å; F199-Y405 HydrophobicContact CZ-CD1 3.92Å; F199-Y405 AromaticContact CZ-CD2 3.82Å; F199-Y405 HydrophobicContact CZ-CD2 3.82Å; F199-Y405 AromaticContact CZ-CE1 3.99Å; F199-Y405 HydrophobicContact CZ-CE1 3.99Å; F199-Y405 AromaticContact CZ-CE2 3.87Å; F199-Y405 HydrophobicContact CZ-CE2 3.87Å; F199-Y405 AromaticContact CZ-CG 3.83Å; F199-Y405 HydrophobicContact CZ-CG 3.83Å; F199-Y405 AromaticContact CZ-CZ 3.95Å; G227-Y405 WeakPolarHBondContact CA-OH 3.43Å; E228-Y405 VanDerWaalsContact O-CD1 3.29Å; E228-Y405 WeakPolarHBondContact O-CD1 3.47Å; E228-Y405 WeakPolarHBondContact O-CE1 3.1Å; T403-Y405 HydrophobicContact CG2-CD2 4.33Å; T403-Y405 HydrophobicContact CG2-CE2 3.67Å; Y405-R407 PolarHBondContact O-N 3.35Å
406	V	97.6	Very high	95.8	Very high	49 Å²	49	82.2 Å²	82.2	30%	0.297	43%	0.433	S	S	.	.			trans	-84.8	107.6	177.8	177.1	0	0	0	0	110.5	F198 F199 R222 D229	F198-V406 HydrophobicContact CD1-CG1 4.13Å; F199-V406 WeakPolarHBondContact CA-O 3.48Å; F199-V406 WeakPolarHBondContact CB-O 3.47Å; F199-V406 PolarHBondContact N-O 2.99Å; R222-V406 VanDerWaalsContact NH2-CG2 3.3Å; D229-V406 HydrophobicContact CB-CG2 4.15Å
407	R	94.4	Very high	95.6	Very high	153 Å²	153	85.5 Å²	85.5	58%	0.577	45%	0.447	S	S	*	.			trans	-111.5	156.7	-175.9	-63.8	175.7	179.9	-86.4	-0.4	110.8	F198 F199 Y405 S409	F198-R407 VanDerWaalsContact CD1-C 3.49Å; F199-R407 HydrophobicContact CB-CG 4.29Å; Y405-R407 PolarHBondContact O-N 3.35Å; R407-S409 PolarHBondContact O-N 3.35Å
408	R	89.1	Confident	95.4	Very high	151 Å²	151	79.6 Å²	79.6	57%	0.57	43%	0.428	S	S	*	.			trans	-61.1	131.9	166.4	-68.3	-175.7	-173.7	-89.6	-8.6	108.6	N196 F198 E201	N196-R408 PolarHBondContact O-NH2 2.81Å; F198-R408 HydrophobicContact CB-CG 4.03Å; F198-R408 HydrophobicContact CD1-CG 3.85Å; F198-R408 HydrophobicContact CD2-CG 3.47Å; F198-R408 VanDerWaalsContact CD2-CG 3.47Å; F198-R408 VanDerWaalsContact CD2-CZ 3.4Å; F198-R408 HydrophobicContact CE1-CG 4.15Å; F198-R408 HydrophobicContact CE2-CG 3.81Å; F198-R408 HydrophobicContact CG-CG 3.49Å; F198-R408 VanDerWaalsContact CG-CG 3.49Å; F198-R408 HydrophobicContact CZ-CG 4.13Å; E201-R408 IonicContact OE1-CZ 3.68Å; E201-R408 VanDerWaalsContact OE1-CZ 3.29Å; E201-R408 IonicContact OE1-NE 2.86Å; E201-R408 PolarHBondContact OE1-NE 3.45Å; E201-R408 IonicContact OE1-NH2 2.8Å; E201-R408 PolarHBondContact OE1-NH2 3.38Å; E201-R408 IonicContact OE2-CZ 2.74Å; E201-R408 IonicContact OE2-NH2 3.27Å; E201-R408 PolarHBondContact OE2-NH2 2.97Å
409	S	78.4	Confident	95.2	Very high	191 Å²	191	83.3 Å²	83.3	100%	1.336	45%	0.449	S	S	*	.			trans	-65.8	0	176.7	57	0	0	0	0	112.5	R407	R407-S409 PolarHBondContact O-N 3.35Å

Retrieved 409 of 409 residues in 180.9 ms (Link to these results)

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