G4LXX5_SCHMA Loading...

cystathionine beta-synthase

AlphaFold DB , UniProt , Accession G4LXX5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 504 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	49.4	Very low	74.9	Confident	215 Å²	215	95.5 Å²	95.5	100%	1.059	50%	0.497	S	S	*	.				0	137.8	0	-68.9	176.3	-169.1	0	0	107.4	S3	M1-S3 PolarHBondContact O-N 3.35Å
2	N	49.6	Very low	76.3	Confident	106 Å²	106	93.7 Å²	93.7	57%	0.567	50%	0.498	S	S	*	.			trans	-63.7	133.3	174	-139.2	0.3	0	0	0	107.8	D4	N2-D4 PolarHBondContact O-N 3.42Å
3	S	56.5	Low	77.3	Confident	109 Å²	109	100.9 Å²	100.9	76%	0.762	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-13.6	-173.9	52	0	0	0	0	114.5	M1	M1-S3 PolarHBondContact O-N 3.35Å
4	D	68.6	Low	78.2	Confident	113 Å²	113	96.2 Å²	96.2	60%	0.604	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	4.1	-166.1	-62	-6.2	0	0	0	114.1	N2 K6	N2-D4 PolarHBondContact O-N 3.42Å; D4-K6 PolarHBondContact O-N 3.39Å; D4-K6 VanDerWaalsContact O-N 3.14Å
5	W	73.3	Confident	79	Confident	46 Å²	46	96.7 Å²	96.7	17%	0.174	51%	0.511	C	S	.	.			trans	-67.6	114.5	176.5	178.3	42.9	0	0	0	110.9	R7 F159 D160 F166 L167 E170	W5-R7 HydrophobicContact CD2-CG 4.36Å; W5-R7 HydrophobicContact CE3-CG 3.87Å; W5-R7 HydrophobicContact CH2-CG 4.11Å; W5-R7 HydrophobicContact CZ3-CG 3.74Å; W5-R7 PolarHBondContact O-N 3.2Å; W5-F159 HydrophobicContact CH2-CD2 4.06Å; W5-F159 HydrophobicContact CH2-CE2 4.36Å; W5-D160 HydrophobicContact CH2-CB 4.42Å; W5-F166 HydrophobicContact CZ2-CB 4.13Å; W5-L167 HydrophobicContact CD2-CD2 3.66Å; W5-L167 HydrophobicContact CE3-CD2 4.1Å; W5-L167 HydrophobicContact CG-CD2 3.9Å; W5-L167 HydrophobicContact CZ2-CD2 4.21Å; W5-L167 HydrophobicContact CZ2-CG 4.48Å; W5-E170 HydrophobicContact CG-CG 4.43Å
6	K	80.2	Confident	79.6	Confident	140 Å²	140	91.4 Å²	91.4	61%	0.609	48%	0.483	S	S	*	.			trans	-79.7	99.4	173.2	-66.3	-176.9	-178.2	179.2	0	109.2	D4	D4-K6 PolarHBondContact O-N 3.39Å; D4-K6 VanDerWaalsContact O-N 3.14Å
7	R	87.5	Confident	80.1	Confident	91 Å²	91	88.5 Å²	88.5	34%	0.343	47%	0.471	S	S	.	.			trans	-55	142.5	174	-65.5	179.7	59.5	104.5	-7.4	110.8	W5 D9 L10 F159	W5-R7 HydrophobicContact CD2-CG 4.36Å; W5-R7 HydrophobicContact CE3-CG 3.87Å; W5-R7 HydrophobicContact CH2-CG 4.11Å; W5-R7 HydrophobicContact CZ3-CG 3.74Å; W5-R7 PolarHBondContact O-N 3.2Å; R7-D9 WeakPolarHBondContact CB-OD1 3.43Å; R7-D9 IonicContact CZ-OD1 3.83Å; R7-D9 IonicContact CZ-OD2 3.64Å; R7-D9 IonicContact NE-OD1 2.75Å; R7-D9 PolarHBondContact NE-OD1 2.86Å; R7-D9 IonicContact NE-OD2 3.49Å; R7-D9 IonicContact NH2-OD1 3.58Å; R7-D9 PolarHBondContact NH2-OD1 2.89Å; R7-D9 IonicContact NH2-OD2 3.53Å; R7-D9 PolarHBondContact NH2-OD2 3.13Å; R7-D9 PolarHBondContact O-N 3.14Å; R7-L10 HydrophobicContact CB-CD2 4.23Å; R7-L10 HydrophobicContact CB-CG 4.12Å; R7-F159 VanDerWaalsContact NH2-CE2 3.33Å
8	P	89	Confident	80.4	Confident	1 Å²	1	88.2 Å²	88.2	1%	0.006	47%	0.469	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-6.9	-178.6	33.2	-37.1	0	0	0	113.6	F159 F166 Y186 F275 P277 T278	P8-F159 HydrophobicContact CG-CD2 4.29Å; P8-F166 HydrophobicContact CB-CD1 4.32Å; P8-F166 HydrophobicContact CB-CE1 3.82Å; P8-F166 HydrophobicContact CB-CZ 4.32Å; P8-F166 HydrophobicContact CG-CD1 4.19Å; P8-F166 HydrophobicContact CG-CE1 3.89Å; P8-F166 HydrophobicContact CG-CZ 4.08Å; P8-Y186 HydrophobicContact CB-CD2 4.47Å; P8-Y186 HydrophobicContact CB-CG 4.06Å; P8-F275 HydrophobicContact CB-CD2 4.37Å; P8-F275 HydrophobicContact CB-CE2 3.71Å; P8-F275 HydrophobicContact CB-CZ 4.14Å; P8-F275 HydrophobicContact CG-CD2 4.17Å; P8-F275 HydrophobicContact CG-CE2 3.85Å; P8-F275 HydrophobicContact CG-CZ 4.12Å; P8-P277 CarbonylContact O-C 3.49Å; P8-P277 WeakPolarHBondContact O-CA 3.24Å; P8-T278 PolarHBondContact O-N 2.79Å; P8-T278 PolarHBondContact O-OG1 2.77Å
9	D	90.1	Very high	80.6	Confident	43 Å²	43	91.1 Å²	91.1	23%	0.23	49%	0.485	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.6	23.2	-168.5	69.3	-21.9	0	0	0	114.3	R7 F275 F276	R7-D9 WeakPolarHBondContact CB-OD1 3.43Å; R7-D9 IonicContact CZ-OD1 3.83Å; R7-D9 IonicContact CZ-OD2 3.64Å; R7-D9 IonicContact NE-OD1 2.75Å; R7-D9 PolarHBondContact NE-OD1 2.86Å; R7-D9 IonicContact NE-OD2 3.49Å; R7-D9 IonicContact NH2-OD1 3.58Å; R7-D9 PolarHBondContact NH2-OD1 2.89Å; R7-D9 IonicContact NH2-OD2 3.53Å; R7-D9 PolarHBondContact NH2-OD2 3.13Å; R7-D9 PolarHBondContact O-N 3.14Å; D9-F275 HydrophobicContact CB-CB 4.23Å; D9-F275 HydrophobicContact CB-CD2 3.97Å; D9-F275 HydrophobicContact CB-CG 4.49Å; D9-F276 WeakPolarHBondContact CA-O 3.49Å; D9-F276 WeakPolarHBondContact CB-O 3.34Å
10	L	90.9	Very high	81	Confident	78 Å²	78	89.5 Å²	89.5	41%	0.408	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-73.3	151.8	175.2	-62.5	177.9	0	0	0	111	R7 T278	R7-L10 HydrophobicContact CB-CD2 4.23Å; R7-L10 HydrophobicContact CB-CG 4.12Å; L10-T278 PolarHBondContact N-OG1 3.25Å; L10-T278 VanDerWaalsContact O-CA 3.29Å; L10-T278 WeakPolarHBondContact O-CA 3.37Å; L10-T278 WeakPolarHBondContact O-CB 3.34Å; L10-T278 VanDerWaalsContact O-CG2 3.25Å; L10-T278 WeakPolarHBondContact O-CG2 3.38Å; L10-T278 PolarHBondContact O-OG1 2.94Å
11	P	89.5	Confident	81.3	Confident	109 Å²	109	88 Å²	88	71%	0.708	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-57	141.2	168.8	-24.6	34.3	0	0	0	111.8	K13	P11-K13 PolarHBondContact O-N 2.96Å
12	S	90.7	Very high	83.3	Confident	73 Å²	73	80.5 Å²	80.5	51%	0.51	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-60	137.5	172.9	-177.1	0	0	0	0	110.8	C14	S12-C14 WeakPolarHBondContact OG-CB 3.45Å; S12-C14 PolarHBondContact OG-N 3.46Å
13	K	89.7	Confident	85.2	Confident	188 Å²	188	82.3 Å²	82.3	82%	0.817	44%	0.444	S	S	*	.			trans	-101.4	8.9	174.5	-60.7	-176.5	-179.3	-178.1	0	112.7	P11 T15	P11-K13 PolarHBondContact O-N 2.96Å; K13-T15 PolarHBondContact O-N 3.27Å
14	C	90.4	Very high	86.8	Confident	35 Å²	35	82.8 Å²	82.8	24%	0.236	44%	0.435	C	S	.	.			trans	-64.2	128.4	179.2	-178	0	0	0	0	109.9	S12 H27 R234	S12-C14 WeakPolarHBondContact OG-CB 3.45Å; S12-C14 PolarHBondContact OG-N 3.46Å; C14-H27 PolarHBondContact SG-NE2 3.43Å; C14-R234 PolarHBondContact SG-NH1 2.74Å
15	T	89.1	Confident	88	Confident	103 Å²	103	78.2 Å²	78.2	63%	0.632	41%	0.411	S	S	*	.			trans	-97.6	-2.9	-179.8	56.6	0	0	0	0	113.3	K13 Q20	K13-T15 PolarHBondContact O-N 3.27Å; T15-Q20 PolarHBondContact O-OE1 2.93Å
16	F	88.8	Confident	89	Confident	13 Å²	13	79.6 Å²	79.6	6%	0.057	43%	0.426	C	S	.	.			trans	-72.5	129.4	179.9	-179.9	-105.8	0	0	0	111.2	Q20 I22 F196 M238	F16-Q20 HydrophobicContact CD2-CB 4.32Å; F16-Q20 HydrophobicContact CE2-CB 4.08Å; F16-I22 HydrophobicContact CE2-CD1 4.39Å; F16-I22 HydrophobicContact CZ-CD1 4.2Å; F16-F196 HydrophobicContact CE1-CE2 4.42Å; F16-F196 HydrophobicContact CE1-CZ 4.35Å; F16-M238 HydrophobicContact CE1-SD 4.13Å; F16-M238 HydrophobicContact CZ-CE 4.01Å; F16-M238 HydrophobicContact CZ-SD 4.09Å
17	S	88	Confident	89.7	Confident	41 Å²	41	74.9 Å²	74.9	29%	0.287	41%	0.406	S	S	.	.			trans	-117.2	159	174.5	64.6	0	0	0	0	111.8	D19 Q20	S17-D19 WeakPolarHBondContact CB-OD1 3.29Å; S17-D19 PolarHBondContact O-N 3Å; S17-D19 PolarHBondContact OG-OD1 3.12Å; S17-Q20 WeakPolarHBondContact O-CB 3.5Å; S17-Q20 PolarHBondContact O-N 3.49Å; S17-Q20 VanDerWaalsContact OG-CD 3.23Å; S17-Q20 VanDerWaalsContact OG-CG 3.3Å; S17-Q20 WeakPolarHBondContact OG-CG 3.14Å; S17-Q20 PolarHBondContact OG-OE1 2.86Å
18	L	85.4	Confident	90.1	Very high	83 Å²	83	74.7 Å²	74.7	44%	0.435	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-18.6	-171.9	-58.2	177.1	0	0	0	113.9	R234 K237 M238	L18-R234 HydrophobicContact CD2-CB 3.94Å; L18-R234 HydrophobicContact CD2-CG 4.11Å; L18-R234 WeakPolarHBondContact CD2-O 3.23Å; L18-K237 HydrophobicContact CD1-CB 4.09Å; L18-M238 HydrophobicContact CB-CG 4.2Å; L18-M238 HydrophobicContact CD2-CG 3.77Å; L18-M238 HydrophobicContact CD2-SD 4.32Å
19	D	85.5	Confident	90.5	Very high	143 Å²	143	76.7 Å²	76.7	77%	0.765	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-13.2	176.8	59	-50.1	0	0	0	113.4	S17	S17-D19 WeakPolarHBondContact CB-OD1 3.29Å; S17-D19 PolarHBondContact O-N 3Å; S17-D19 PolarHBondContact OG-OD1 3.12Å
20	Q	87.3	Confident	90.7	Very high	60 Å²	60	77 Å²	77	28%	0.28	42%	0.419	S	S	.	.	S	Bend	trans	-81	153	178.7	-74.6	172.2	-22	0	0	112.3	T15 F16 S17 E24	T15-Q20 PolarHBondContact O-OE1 2.93Å; F16-Q20 HydrophobicContact CD2-CB 4.32Å; F16-Q20 HydrophobicContact CE2-CB 4.08Å; S17-Q20 WeakPolarHBondContact O-CB 3.5Å; S17-Q20 PolarHBondContact O-N 3.49Å; S17-Q20 VanDerWaalsContact OG-CD 3.23Å; S17-Q20 VanDerWaalsContact OG-CG 3.3Å; S17-Q20 WeakPolarHBondContact OG-CG 3.14Å; S17-Q20 PolarHBondContact OG-OE1 2.86Å; Q20-E24 WeakPolarHBondContact CA-OE2 3.43Å; Q20-E24 HydrophobicContact CB-CB 4.36Å; Q20-E24 WeakPolarHBondContact CB-OE2 3.27Å
21	S	89	Confident	90.8	Very high	57 Å²	57	78.6 Å²	78.6	40%	0.399	44%	0.435	S	S	.	.			trans	-65.7	145.6	168.2	179	0	0	0	0	109.7	N23 E24	S21-N23 PolarHBondContact O-N 2.91Å; S21-N23 VanDerWaalsContact O-N 3.09Å; S21-N23 PolarHBondContact OG-N 3.29Å; S21-E24 PolarHBondContact N-OE2 2.65Å; S21-E24 WeakPolarHBondContact O-CB 3.3Å; S21-E24 PolarHBondContact O-N 2.78Å
22	I	89.5	Confident	90.8	Very high	58 Å²	58	75.9 Å²	75.9	30%	0.297	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-59.2	-26.1	175.7	-166.4	58	0	0	0	112.5	F16 E24 S25 H29 F196	F16-I22 HydrophobicContact CE2-CD1 4.39Å; F16-I22 HydrophobicContact CZ-CD1 4.2Å; I22-E24 PolarHBondContact O-N 3.32Å; I22-S25 WeakPolarHBondContact O-CB 3.49Å; I22-S25 PolarHBondContact O-N 3.33Å; I22-S25 VanDerWaalsContact O-N 3.13Å; I22-H29 WeakPolarHBondContact CD1-NE2 3.33Å; I22-H29 HydrophobicContact CG1-CB 4.5Å; I22-F196 HydrophobicContact CD1-CE1 3.55Å; I22-F196 HydrophobicContact CD1-CZ 3.84Å
23	N	89.5	Confident	90.4	Very high	144 Å²	144	74.5 Å²	74.5	77%	0.77	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-68.7	-15.5	175.8	-64.9	-18.8	0	0	0	113.1	S21	S21-N23 PolarHBondContact O-N 2.91Å; S21-N23 VanDerWaalsContact O-N 3.09Å; S21-N23 PolarHBondContact OG-N 3.29Å
24	E	91.6	Very high	90.2	Very high	120 Å²	120	75 Å²	75	56%	0.561	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-92.8	-4.3	175.9	-59.5	173.8	133.7	0	0	111.9	Q20 S21 I22	Q20-E24 WeakPolarHBondContact CA-OE2 3.43Å; Q20-E24 HydrophobicContact CB-CB 4.36Å; Q20-E24 WeakPolarHBondContact CB-OE2 3.27Å; S21-E24 PolarHBondContact N-OE2 2.65Å; S21-E24 WeakPolarHBondContact O-CB 3.3Å; S21-E24 PolarHBondContact O-N 2.78Å; I22-E24 PolarHBondContact O-N 3.32Å
25	S	93.5	Very high	90.1	Very high	16 Å²	16	78.7 Å²	78.7	11%	0.112	41%	0.414	C	S	.	.			trans	-62.3	134.7	175.5	-179.6	0	0	0	0	110.6	I22 H27 H29	I22-S25 WeakPolarHBondContact O-CB 3.49Å; I22-S25 PolarHBondContact O-N 3.33Å; I22-S25 VanDerWaalsContact O-N 3.13Å; S25-H27 PolarHBondContact O-N 2.97Å; S25-H27 VanDerWaalsContact O-N 3.1Å; S25-H27 PolarHBondContact OG-N 2.87Å; S25-H29 VanDerWaalsContact CB-NE2 3.3Å; S25-H29 WeakPolarHBondContact CB-NE2 3.21Å; S25-H29 PolarHBondContact OG-CD2 3.41Å; S25-H29 PolarHBondContact OG-NE2 3.38Å
26	P	94.1	Very high	90.2	Very high	75 Å²	75	77.6 Å²	77.6	49%	0.487	40%	0.404	S	S	.	.	S	Bend	trans	-74.5	5.2	175.8	34.4	-36.7	0	0	0	112.7
27	H	95.5	Very high	90.4	Very high	41 Å²	41	87.4 Å²	87.4	19%	0.19	45%	0.447	C	S	.	.	S	Bend	trans	-115.3	148.4	-173.9	-56.3	-59.8	0	0	0	111.7	C14 S25 H29 I193	C14-H27 PolarHBondContact SG-NE2 3.43Å; S25-H27 PolarHBondContact O-N 2.97Å; S25-H27 VanDerWaalsContact O-N 3.1Å; S25-H27 PolarHBondContact OG-N 2.87Å; H27-H29 PolarHBondContact O-CD2 2.89Å; H27-H29 PolarHBondContact O-N 3.25Å; H27-I193 HydrophobicContact CB-CD1 3.4Å; H27-I193 HydrophobicContact CB-CG1 4.33Å; H27-I193 VanDerWaalsContact CG-CD1 3.47Å
28	H	96.1	Very high	90.8	Very high	87 Å²	87	92.3 Å²	92.3	40%	0.403	47%	0.469	S	S	.	.			trans	-69.9	126.1	171.2	179.4	-120.9	0	0	0	109.8	I30 R87 E91 Y190	H28-I30 VanDerWaalsContact CE1-CG2 3.44Å; H28-I30 WeakPolarHBondContact CE1-CG2 3.29Å; H28-R87 PolarHBondContact O-NH2 3.45Å; H28-E91 IonicContact CE1-OE1 2.71Å; H28-E91 IonicContact CG-OE1 3.37Å; H28-E91 IonicContact CG-OE2 3.16Å; H28-E91 VanDerWaalsContact ND1-CD 3.32Å; H28-E91 IonicContact ND1-OE1 2.78Å; H28-E91 PolarHBondContact ND1-OE1 3.4Å; H28-E91 IonicContact ND1-OE2 2.68Å; H28-E91 PolarHBondContact ND1-OE2 3.37Å; H28-Y190 HydrophobicContact CB-CE1 4.28Å
29	H	96.6	Very high	91.3	Very high	44 Å²	44	91 Å²	91	20%	0.204	46%	0.461	C	S	.	.			trans	-115.8	138.7	179.1	-75	-77.7	0	0	0	110.3	I22 S25 H27 F196 D197	I22-H29 WeakPolarHBondContact CD1-NE2 3.33Å; I22-H29 HydrophobicContact CG1-CB 4.5Å; S25-H29 VanDerWaalsContact CB-NE2 3.3Å; S25-H29 WeakPolarHBondContact CB-NE2 3.21Å; S25-H29 PolarHBondContact OG-CD2 3.41Å; S25-H29 PolarHBondContact OG-NE2 3.38Å; H27-H29 PolarHBondContact O-CD2 2.89Å; H27-H29 PolarHBondContact O-N 3.25Å; H29-F196 AromaticContact CE1-CD1 3.68Å; H29-F196 AromaticContact CE1-CE1 3.7Å; H29-F196 AromaticContact ND1-CD1 3.81Å; H29-F196 AromaticContact ND1-CE1 3.9Å; H29-D197 WeakPolarHBondContact CA-OD2 3.29Å; H29-D197 IonicContact CE1-OD1 3.75Å; H29-D197 IonicContact CG-OD1 3.34Å; H29-D197 IonicContact ND1-OD1 3.19Å; H29-D197 PolarHBondContact ND1-OD1 3.35Å; H29-D197 IonicContact ND1-OD2 3.42Å
30	I	94.6	Very high	91.7	Very high	48 Å²	48	92.5 Å²	92.5	25%	0.246	46%	0.461	C	S	.	.			trans	-120.7	146.8	177.1	71.9	-171.7	0	0	0	110.4	H28 R87 D197	H28-I30 VanDerWaalsContact CE1-CG2 3.44Å; H28-I30 WeakPolarHBondContact CE1-CG2 3.29Å; I30-R87 VanDerWaalsContact CD1-NH1 3.32Å; I30-R87 VanDerWaalsContact CG1-NH1 3.3Å; I30-D197 HydrophobicContact CG1-CB 4.45Å; I30-D197 PolarHBondContact N-OD2 2.88Å; I30-D197 WeakPolarHBondContact O-CB 3.47Å
31	P	92.5	Very high	91.9	Very high	113 Å²	113	95.7 Å²	95.7	73%	0.734	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-69.2	156.5	172.4	30.3	-35	0	0	0	110.9
32	I	89.3	Confident	92.2	Very high	51 Å²	51	94.7 Å²	94.7	26%	0.262	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-51.3	125.1	172.7	-170.9	179.4	0	0	0	110.9	K34 E201 E202	I32-K34 PolarHBondContact O-N 2.71Å; I32-E201 HydrophobicContact CB-CB 4.43Å; I32-E202 HydrophobicContact CD1-CB 4.3Å; I32-E202 HydrophobicContact CD1-CG 3.38Å; I32-E202 HydrophobicContact CG1-CG 4.2Å
33	P	82	Confident	92.5	Very high	45 Å²	45	92.5 Å²	92.5	29%	0.292	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-70.6	131.8	-176.7	25.7	-32.6	0	0	0	111.1	R35 N48	P33-R35 PolarHBondContact O-N 3.43Å; P33-N48 PolarHBondContact O-ND2 3.47Å
34	K	86.4	Confident	92.7	Very high	197 Å²	197	87.9 Å²	87.9	86%	0.857	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-76.7	119.6	167.6	-68.2	-174.9	-178.6	179.7	0	109	I32 N36	I32-K34 PolarHBondContact O-N 2.71Å; K34-N36 PolarHBondContact O-N 2.68Å
35	R	88.7	Confident	92.9	Very high	113 Å²	113	85.1 Å²	85.1	43%	0.426	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-66.1	126.7	176.1	-174.7	174	-76.6	153.9	-1	110.1	P33 I39 L45 G47	P33-R35 PolarHBondContact O-N 3.43Å; R35-I39 HydrophobicContact CG-CD1 3.46Å; R35-I39 VanDerWaalsContact CG-CD1 3.46Å; R35-L45 PolarHBondContact NH2-O 2.76Å; R35-G47 PolarHBondContact NH2-O 2.81Å
36	N	90.2	Very high	93.1	Very high	80 Å²	80	84.5 Å²	84.5	43%	0.428	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-64.5	150.3	176.6	-72.5	-46.1	0	0	0	111.2	K34 I38 I39 E44	K34-N36 PolarHBondContact O-N 2.68Å; N36-I38 VanDerWaalsContact C-N 3.28Å; N36-I38 WeakPolarHBondContact CB-O 3.1Å; N36-I38 PolarHBondContact O-N 2.86Å; N36-I39 WeakPolarHBondContact O-CD1 3.28Å; N36-E44 PolarHBondContact ND2-OE2 3.17Å
37	K	93.2	Very high	93.3	Very high	219 Å²	219	81 Å²	81	95%	0.952	39%	0.391	S	S	*	.	S	Bend	trans	-61	-38.8	173.9	-69.8	-175	178	-178.4	0	112.2
38	I	96.2	Very high	93.3	Very high	145 Å²	145	80.4 Å²	80.4	74%	0.744	39%	0.389	S	S	*	.	S	Bend	trans	-117.9	119.2	171.8	-59.8	175.7	0	0	0	106.8	N36	N36-I38 VanDerWaalsContact C-N 3.28Å; N36-I38 WeakPolarHBondContact CB-O 3.1Å; N36-I38 PolarHBondContact O-N 2.86Å
39	I	95.6	Very high	93.3	Very high	54 Å²	54	76.6 Å²	76.6	28%	0.277	37%	0.372	S	S	.	.			trans	-77.2	128.3	-178.1	-58	-59.5	0	0	0	109.8	R35 N36 K41 E44 L45	R35-I39 HydrophobicContact CG-CD1 3.46Å; R35-I39 VanDerWaalsContact CG-CD1 3.46Å; N36-I39 WeakPolarHBondContact O-CD1 3.28Å; I39-K41 WeakPolarHBondContact CG2-O 3.46Å; I39-E44 HydrophobicContact CD1-CB 4.28Å; I39-E44 HydrophobicContact CG2-CB 3.94Å; I39-L45 HydrophobicContact CD1-CD2 4.27Å; I39-L45 HydrophobicContact CG1-CD2 3.86Å; I39-L45 HydrophobicContact CG2-CD2 4.23Å; I39-L45 HydrophobicContact CG2-CG 4.14Å
40	K	93.5	Very high	93.4	Very high	175 Å²	175	77.3 Å²	77.3	76%	0.761	38%	0.381	S	S	*	.	S	Bend	trans	-90.3	-34.7	-179	-55.1	178.1	179.1	176.8	0	112.4	E44	K40-E44 VanDerWaalsContact CB-OE1 3.3Å; K40-E44 WeakPolarHBondContact CB-OE1 3.44Å; K40-E44 PolarHBondContact N-OE1 3.44Å
41	K	93.3	Very high	93.6	Very high	128 Å²	128	76.8 Å²	76.8	56%	0.557	38%	0.378	S	S	*	.	S	Bend	trans	-137.4	147.9	178.8	-62	-176.5	-179.1	-176.5	0	110.5	I39 L43 E44	I39-K41 WeakPolarHBondContact CG2-O 3.46Å; K41-L43 PolarHBondContact O-N 2.73Å; K41-L43 VanDerWaalsContact O-N 3.12Å; K41-E44 PolarHBondContact N-OE1 3.19Å; K41-E44 WeakPolarHBondContact O-CB 3.47Å; K41-E44 PolarHBondContact O-N 3.38Å
42	S	94.4	Very high	93.9	Very high	36 Å²	36	74.5 Å²	74.5	25%	0.252	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-59.8	-23.5	178.5	48.2	0	0	0	0	113.7	E44 L45 L122	S42-E44 PolarHBondContact O-N 2.73Å; S42-L45 VanDerWaalsContact O-CB 3.26Å; S42-L45 WeakPolarHBondContact O-CB 3.26Å; S42-L45 PolarHBondContact O-N 2.77Å; S42-L122 WeakPolarHBondContact OG-CD1 3.25Å
43	L	95.5	Very high	94.3	Very high	11 Å²	11	76.6 Å²	76.6	6%	0.058	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-62.4	-19.5	172.7	-62.9	-178.4	0	0	0	114.4	K41 L45 I46 K86 T119 L122	K41-L43 PolarHBondContact O-N 2.73Å; K41-L43 VanDerWaalsContact O-N 3.12Å; L43-L45 VanDerWaalsContact C-N 3.26Å; L43-I46 HydrophobicContact CD2-CD1 3.68Å; L43-I46 PolarHBondContact O-N 2.97Å; L43-K86 HydrophobicContact CB-CD 4.36Å; L43-K86 PolarHBondContact O-NZ 2.79Å; L43-T119 HydrophobicContact CD1-CG2 4.13Å; L43-T119 HydrophobicContact CD2-CG2 4.39Å; L43-T119 WeakPolarHBondContact CD2-OG1 3.5Å; L43-L122 HydrophobicContact CD1-CB 4.47Å; L43-L122 HydrophobicContact CD1-CD1 4.32Å; L43-L122 HydrophobicContact CD2-CD1 3.8Å; L43-L122 HydrophobicContact CG-CD1 3.63Å
44	E	95	Very high	95.1	Very high	48 Å²	48	74.5 Å²	74.5	22%	0.224	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-79.1	-10.6	172.8	-61.3	173.5	-130.5	0	0	112.6	N36 I39 K40 K41 S42 I46	N36-E44 PolarHBondContact ND2-OE2 3.17Å; I39-E44 HydrophobicContact CD1-CB 4.28Å; I39-E44 HydrophobicContact CG2-CB 3.94Å; K40-E44 VanDerWaalsContact CB-OE1 3.3Å; K40-E44 WeakPolarHBondContact CB-OE1 3.44Å; K40-E44 PolarHBondContact N-OE1 3.44Å; K41-E44 PolarHBondContact N-OE1 3.19Å; K41-E44 WeakPolarHBondContact O-CB 3.47Å; K41-E44 PolarHBondContact O-N 3.38Å; S42-E44 PolarHBondContact O-N 2.73Å; E44-I46 VanDerWaalsContact C-N 3.34Å
45	L	95.7	Very high	95.6	Very high	62 Å²	62	69.7 Å²	69.7	33%	0.325	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-84.3	-11.6	172.2	-60.8	173.8	0	0	0	112.3	R35 I39 S42 L43 I76	R35-L45 PolarHBondContact NH2-O 2.76Å; I39-L45 HydrophobicContact CD1-CD2 4.27Å; I39-L45 HydrophobicContact CG1-CD2 3.86Å; I39-L45 HydrophobicContact CG2-CD2 4.23Å; I39-L45 HydrophobicContact CG2-CG 4.14Å; S42-L45 VanDerWaalsContact O-CB 3.26Å; S42-L45 WeakPolarHBondContact O-CB 3.26Å; S42-L45 PolarHBondContact O-N 2.77Å; L43-L45 VanDerWaalsContact C-N 3.26Å; L45-I76 HydrophobicContact CB-CB 4.08Å; L45-I76 HydrophobicContact CB-CG2 4.36Å; L45-I76 HydrophobicContact CD1-CD1 4.05Å; L45-I76 HydrophobicContact CD1-CG1 4.32Å
46	I	97.1	Very high	96.1	Very high	2 Å²	2	71.5 Å²	71.5	1%	0.01	35%	0.345	C	S	.	.	S	Bend	trans	-72.4	133.4	172.3	-60.1	173.6	0	0	0	108.7	L43 E44 I76 D82 R83 K86	L43-I46 HydrophobicContact CD2-CD1 3.68Å; L43-I46 PolarHBondContact O-N 2.97Å; E44-I46 VanDerWaalsContact C-N 3.34Å; I46-I76 HydrophobicContact CD1-CG2 4.34Å; I46-I76 HydrophobicContact CG1-CG2 3.62Å; I46-D82 HydrophobicContact CD1-CB 4.06Å; I46-D82 HydrophobicContact CG1-CB 4.06Å; I46-D82 HydrophobicContact CG2-CB 4.04Å; I46-R83 HydrophobicContact CG2-CB 4.4Å; I46-R83 HydrophobicContact CG2-CG 3.92Å; I46-K86 HydrophobicContact CB-CD 4.43Å; I46-K86 HydrophobicContact CD1-CB 3.98Å; I46-K86 HydrophobicContact CD1-CD 4.15Å
47	G	97	Very high	96.5	Very high	1 Å²	1	67.7 Å²	67.7	1%	0.01	32%	0.324	C	S	.	.	S	Bend	trans	82.1	-169.7	-176.6	0	0	0	0	0	114.3	R35 T49 N75 R83	R35-G47 PolarHBondContact NH2-O 2.81Å; G47-T49 PolarHBondContact O-N 3.35Å; G47-T49 VanDerWaalsContact O-N 3.17Å; G47-N75 PolarHBondContact N-OD1 3.31Å; G47-R83 VanDerWaalsContact CA-CZ 3.43Å; G47-R83 VanDerWaalsContact CA-NH1 3.29Å
48	N	96	Very high	96.7	Very high	29 Å²	29	57.6 Å²	57.6	16%	0.155	28%	0.282	C	S	.	.			trans	45	44.1	-170.8	-73.9	-58.3	0	0	0	112.3	P33 E202 R205	P33-N48 PolarHBondContact O-ND2 3.47Å; N48-E202 VanDerWaalsContact N-CD 3.28Å; N48-E202 PolarHBondContact N-OE1 3.27Å; N48-E202 PolarHBondContact N-OE2 3.3Å; N48-R205 PolarHBondContact OD1-NH1 2.79Å
49	T	97.5	Very high	96.8	Very high	7 Å²	7	58.3 Å²	58.3	4%	0.043	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-76.6	149.9	176.9	57.1	0	0	0	0	109.3	G47 K70 C71 E72 R83 E202	G47-T49 PolarHBondContact O-N 3.35Å; G47-T49 VanDerWaalsContact O-N 3.17Å; T49-K70 PolarHBondContact O-NZ 3.2Å; T49-K70 WeakPolarHBondContact OG1-CE 3.32Å; T49-K70 PolarHBondContact OG1-NZ 3.29Å; T49-C71 WeakPolarHBondContact CB-O 3.44Å; T49-E72 PolarHBondContact OG1-OE1 3.13Å; T49-R83 PolarHBondContact OG1-NH2 2.64Å; T49-E202 PolarHBondContact N-OE2 2.95Å
50	P	97.9	Very high	96.9	Very high	60 Å²	60	61.2 Å²	61.2	39%	0.39	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-78.2	155.6	-177.4	30.9	-34.5	0	0	0	112.6	C71 L74	P50-C71 HydrophobicContact CG-CB 4.04Å; P50-C71 PolarHBondContact O-N 2.75Å; P50-L74 HydrophobicContact CG-CD1 3.65Å
51	L	98.8	Very high	97.1	Very high	36 Å²	36	54.5 Å²	54.5	19%	0.188	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	143.8	153.2	-70.5	175.1	0	0	0	108.9	L68 G69 K70 D206 V338	L51-L68 HydrophobicContact CD1-CD1 4.09Å; L51-L68 HydrophobicContact CD2-CB 4.42Å; L51-G69 CarbonylContact C-O 3.6Å; L51-G69 WeakPolarHBondContact CA-O 3.21Å; L51-K70 HydrophobicContact CD2-CB 3.77Å; L51-K70 HydrophobicContact CD2-CD 3.83Å; L51-K70 HydrophobicContact CD2-CG 4.37Å; L51-K70 HydrophobicContact CG-CD 4.31Å; L51-D206 HydrophobicContact CD1-CB 3.6Å; L51-D206 HydrophobicContact CG-CB 4.3Å; L51-V338 HydrophobicContact CD1-CG2 4.45Å; L51-V338 HydrophobicContact CD2-CG1 3.77Å; L51-V338 HydrophobicContact CD2-CG2 4.2Å
52	I	98.7	Very high	97.3	Very high	65 Å²	65	55.4 Å²	55.4	33%	0.333	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	141.9	174.9	-163.1	175.5	0	0	0	110.5	L54 L68 G69 C71 L309	I52-L54 HydrophobicContact CG2-CD2 4.15Å; I52-L68 CarbonylContact O-C 3.55Å; I52-L68 WeakPolarHBondContact O-CA 3.4Å; I52-G69 PolarHBondContact N-O 3.32Å; I52-G69 PolarHBondContact O-N 2.98Å; I52-C71 WeakPolarHBondContact CG2-SG 3.17Å; I52-L309 HydrophobicContact CD1-CD2 3.79Å; I52-L309 HydrophobicContact CG2-CD1 3.86Å; I52-L309 HydrophobicContact CG2-CD2 4.44Å
53	Q	98.4	Very high	97.4	Very high	96 Å²	96	54.5 Å²	54.5	45%	0.449	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	139.3	172.4	-74.9	171	-28.4	0	0	111	E66 L68	Q53-E66 PolarHBondContact NE2-OE1 3.24Å; Q53-L68 HydrophobicContact CB-CD2 4.19Å; Q53-L68 HydrophobicContact CG-CD2 3.38Å
54	L	98.6	Very high	97.5	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.289	C	S	.	.			trans	-108.2	55.1	177.6	-57.1	-178	0	0	0	110.2	I52 R56 A58 L67 L303 E307 L309 V319	I52-L54 HydrophobicContact CG2-CD2 4.15Å; L54-R56 PolarHBondContact O-N 2.71Å; L54-A58 VanDerWaalsContact O-CB 3.27Å; L54-A58 WeakPolarHBondContact O-CB 3.48Å; L54-A58 PolarHBondContact O-N 3.35Å; L54-L67 HydrophobicContact CB-CD2 4.05Å; L54-L67 HydrophobicContact CB-CG 4.09Å; L54-L67 HydrophobicContact CD1-CD2 4.19Å; L54-L67 HydrophobicContact CD1-CG 4.09Å; L54-L67 HydrophobicContact CG-CG 4.49Å; L54-L67 PolarHBondContact N-O 2.98Å; L54-L303 HydrophobicContact CD1-CD2 4.14Å; L54-L303 HydrophobicContact CD2-CD2 4.1Å; L54-E307 WeakPolarHBondContact CA-OE1 3.45Å; L54-E307 HydrophobicContact CD2-CG 4.16Å; L54-L309 HydrophobicContact CD2-CD1 3.46Å; L54-L309 VanDerWaalsContact CD2-CD1 3.46Å; L54-V319 HydrophobicContact CD1-CG2 4.17Å
55	D	96.9	Very high	97.6	Very high	97 Å²	97	57.4 Å²	57.4	52%	0.519	28%	0.28	S	S	.	.	H	α-helix	trans	-65.6	-36.6	-168.3	-72.1	-20	0	0	0	113.8	K59 E307	D55-K59 WeakPolarHBondContact O-CB 3.26Å; D55-K59 PolarHBondContact O-N 2.9Å; D55-E307 PolarHBondContact N-OE1 2.68Å
56	R	98.4	Very high	97.7	Very high	150 Å²	150	56.9 Å²	56.9	57%	0.566	28%	0.276	S	S	*	.	H	α-helix	trans	-73.6	-43.6	-177.1	-66.7	170.6	170.5	-164.2	0.5	110.2	L54 K59 H60 E306 E307	L54-R56 PolarHBondContact O-N 2.71Å; R56-K59 PolarHBondContact O-N 2.76Å; R56-H60 WeakPolarHBondContact O-CB 3.04Å; R56-H60 VanDerWaalsContact O-CG 3.25Å; R56-H60 PolarHBondContact O-N 2.84Å; R56-H60 PolarHBondContact O-ND1 3.32Å; R56-E306 HydrophobicContact CB-CB 4.28Å; R56-E306 WeakPolarHBondContact CD-O 3.23Å; R56-E306 PolarHBondContact NH1-O 3.06Å; R56-E307 WeakPolarHBondContact CA-OE1 3.34Å; R56-E307 WeakPolarHBondContact CB-OE1 3.48Å; R56-E307 PolarHBondContact N-OE1 2.67Å
57	I	98.6	Very high	97.8	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61.4	-49.2	173	-65.5	-70.9	0	0	0	109.8	K59 H60 E61 L67 M299 R302 L303 E306 E307 V319 I323	I57-K59 VanDerWaalsContact C-N 3.32Å; I57-K59 PolarHBondContact O-N 3.22Å; I57-H60 PolarHBondContact O-N 3.21Å; I57-E61 HydrophobicContact CG2-CG 4.32Å; I57-E61 VanDerWaalsContact O-CB 3.31Å; I57-E61 WeakPolarHBondContact O-CB 3.45Å; I57-E61 VanDerWaalsContact O-CG 3.28Å; I57-E61 WeakPolarHBondContact O-CG 3.13Å; I57-E61 PolarHBondContact O-N 3.46Å; I57-L67 HydrophobicContact CG2-CD2 4.49Å; I57-M299 HydrophobicContact CD1-SD 4.11Å; I57-M299 HydrophobicContact CG2-SD 4.26Å; I57-R302 HydrophobicContact CD1-CB 3.74Å; I57-L303 HydrophobicContact CG1-CD2 4.39Å; I57-E306 HydrophobicContact CD1-CB 4.28Å; I57-E306 HydrophobicContact CD1-CG 4.5Å; I57-E306 WeakPolarHBondContact CD1-OE2 3.44Å; I57-E307 HydrophobicContact CG1-CG 3.76Å; I57-E307 PolarHBondContact N-OE1 3.11Å; I57-V319 HydrophobicContact CG2-CG1 4.24Å; I57-I323 HydrophobicContact CG2-CD1 4.01Å
58	A	98.1	Very high	97.9	Very high	8 Å²	8	57.4 Å²	57.4	7%	0.066	28%	0.278	C	S	.	.	H	α-helix	trans	-57.4	-46	179	0	0	0	0	0	111.5	L54 E61 D62 I63 L67	L54-A58 VanDerWaalsContact O-CB 3.27Å; L54-A58 WeakPolarHBondContact O-CB 3.48Å; L54-A58 PolarHBondContact O-N 3.35Å; A58-E61 PolarHBondContact O-N 2.88Å; A58-D62 PolarHBondContact O-N 2.74Å; A58-I63 HydrophobicContact CB-CB 4.16Å; A58-I63 HydrophobicContact CB-CG2 4.29Å; A58-I63 PolarHBondContact O-N 2.97Å; A58-L67 HydrophobicContact CB-CB 4.35Å
59	K	97.8	Very high	98	Very high	160 Å²	160	56 Å²	56	70%	0.696	27%	0.271	S	S	*	.	H	α-helix	trans	-62.7	-45.8	177	-177.2	-179.3	178.3	-176.9	0	112.9	D55 R56 I57 E61 D62	D55-K59 WeakPolarHBondContact O-CB 3.26Å; D55-K59 PolarHBondContact O-N 2.9Å; R56-K59 PolarHBondContact O-N 2.76Å; I57-K59 VanDerWaalsContact C-N 3.32Å; I57-K59 PolarHBondContact O-N 3.22Å; K59-E61 PolarHBondContact O-N 2.88Å; K59-D62 PolarHBondContact O-N 3.43Å
60	H	98.1	Very high	98.1	Very high	114 Å²	114	55.7 Å²	55.7	53%	0.528	27%	0.269	S	S	.	.	H	α-helix	trans	-68.5	-21.9	179.1	-69.3	161.8	0	0	0	113	R56 I57 E306	R56-H60 WeakPolarHBondContact O-CB 3.04Å; R56-H60 VanDerWaalsContact O-CG 3.25Å; R56-H60 PolarHBondContact O-N 2.84Å; R56-H60 PolarHBondContact O-ND1 3.32Å; I57-H60 PolarHBondContact O-N 3.21Å; H60-E306 IonicContact CE1-OE2 2.58Å; H60-E306 PolarHBondContact CE1-OE2 2.67Å; H60-E306 IonicContact CG-OE2 3.9Å; H60-E306 IonicContact ND1-OE2 2.76Å; H60-E306 PolarHBondContact ND1-OE2 3.46Å
61	E	97.8	Very high	98.1	Very high	34 Å²	34	52.9 Å²	52.9	16%	0.159	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	4.8	177.6	-69.5	-64.4	149.8	0	0	113.9	I57 A58 K59 I63 R302 I323 K327	I57-E61 HydrophobicContact CG2-CG 4.32Å; I57-E61 VanDerWaalsContact O-CB 3.31Å; I57-E61 WeakPolarHBondContact O-CB 3.45Å; I57-E61 VanDerWaalsContact O-CG 3.28Å; I57-E61 WeakPolarHBondContact O-CG 3.13Å; I57-E61 PolarHBondContact O-N 3.46Å; A58-E61 PolarHBondContact O-N 2.88Å; K59-E61 PolarHBondContact O-N 2.88Å; E61-I63 HydrophobicContact CB-CD1 3.86Å; E61-I63 HydrophobicContact CB-CG1 3.95Å; E61-I63 PolarHBondContact O-N 2.94Å; E61-R302 IonicContact OE1-CZ 3.53Å; E61-R302 IonicContact OE1-NH1 2.77Å; E61-R302 PolarHBondContact OE1-NH1 3.32Å; E61-R302 IonicContact OE1-NH2 3.59Å; E61-R302 PolarHBondContact OE1-NH2 3.48Å; E61-R302 VanDerWaalsContact OE1-NH2 3.15Å; E61-I323 HydrophobicContact CB-CG2 4.31Å; E61-I323 HydrophobicContact CG-CD1 3.83Å; E61-I323 HydrophobicContact CG-CG1 4.27Å; E61-I323 HydrophobicContact CG-CG2 4.2Å; E61-K327 WeakPolarHBondContact O-CE 3.42Å; E61-K327 PolarHBondContact O-NZ 3.09Å; E61-K327 IonicContact OE2-NZ 2.72Å; E61-K327 PolarHBondContact OE2-NZ 3.27Å
62	D	97.3	Very high	98.1	Very high	148 Å²	148	51.2 Å²	51.2	79%	0.791	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.2	39	-173.8	-60	-56	0	0	0	112.9	A58 K59	A58-D62 PolarHBondContact O-N 2.74Å; K59-D62 PolarHBondContact O-N 3.43Å
63	I	97.3	Very high	98	Very high	17 Å²	17	48.5 Å²	48.5	9%	0.087	23%	0.228	C	C	.	.			trans	-93.3	124.4	176.7	-69.8	175.1	0	0	0	109.7	A58 E61 C65 I323 I326	A58-I63 HydrophobicContact CB-CB 4.16Å; A58-I63 HydrophobicContact CB-CG2 4.29Å; A58-I63 PolarHBondContact O-N 2.97Å; E61-I63 HydrophobicContact CB-CD1 3.86Å; E61-I63 HydrophobicContact CB-CG1 3.95Å; E61-I63 PolarHBondContact O-N 2.94Å; I63-C65 HydrophobicContact CG2-CB 4.42Å; I63-C65 WeakPolarHBondContact CG2-SG 3.44Å; I63-I323 HydrophobicContact CD1-CB 4.05Å; I63-I323 HydrophobicContact CD1-CG1 3.6Å; I63-I323 HydrophobicContact CD1-CG2 4.03Å; I63-I326 HydrophobicContact CD1-CD1 4.08Å; I63-I326 HydrophobicContact CD1-CG2 4.32Å; I63-I326 HydrophobicContact CG1-CG2 4.11Å; I63-I326 HydrophobicContact CG2-CD1 4.4Å; I63-I326 HydrophobicContact CG2-CG2 4.06Å
64	E	96.1	Very high	98	Very high	115 Å²	115	48.6 Å²	48.6	54%	0.537	23%	0.231	S	C	.	.			trans	-92.8	-19.8	178.3	-63.8	-160.2	132.3	0	0	114.1	K333	E64-K333 HydrophobicContact CB-CG 3.79Å; E64-K333 WeakPolarHBondContact O-CA 3.24Å; E64-K333 WeakPolarHBondContact OE1-CE 3.25Å; E64-K333 IonicContact OE1-NZ 2.68Å; E64-K333 PolarHBondContact OE1-NZ 2.81Å
65	C	97.1	Very high	98	Very high	5 Å²	5	48.9 Å²	48.9	3%	0.034	23%	0.233	C	C	.	.	S	Bend	trans	-73	157.1	179.2	71.4	0	0	0	0	112.1	I63 L67 L331 G332 S335	I63-C65 HydrophobicContact CG2-CB 4.42Å; I63-C65 WeakPolarHBondContact CG2-SG 3.44Å; C65-L67 PolarHBondContact O-N 3.21Å; C65-L67 VanDerWaalsContact O-N 3.14Å; C65-L331 HydrophobicContact CB-CB 4.47Å; C65-G332 WeakPolarHBondContact CA-O 3.46Å; C65-G332 VanDerWaalsContact CB-O 3.31Å; C65-G332 WeakPolarHBondContact CB-O 3.29Å; C65-S335 WeakPolarHBondContact CB-O 3.33Å
66	E	98.2	Very high	97.9	Very high	50 Å²	50	47.5 Å²	47.5	23%	0.234	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	107.7	173.6	-175.2	175.3	-145.2	0	0	110	Q53 L68 S335 R336 V337	Q53-E66 PolarHBondContact NE2-OE1 3.24Å; E66-L68 HydrophobicContact CG-CD2 3.84Å; E66-L68 HydrophobicContact CG-CG 4.13Å; E66-S335 PolarHBondContact N-O 3.34Å; E66-R336 WeakPolarHBondContact O-CA 3.17Å; E66-R336 IonicContact OE1-NH2 3.98Å; E66-R336 IonicContact OE2-CZ 3.17Å; E66-R336 IonicContact OE2-NE 3.83Å; E66-R336 PolarHBondContact OE2-NE 3.08Å; E66-R336 IonicContact OE2-NH2 2.78Å; E66-R336 PolarHBondContact OE2-NH2 3.21Å; E66-V337 PolarHBondContact O-N 2.76Å
67	L	98.7	Very high	97.8	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	117.4	179.8	-176.8	63.9	0	0	0	110.5	L54 I57 A58 C65 I326 V337 V339	L54-L67 HydrophobicContact CB-CD2 4.05Å; L54-L67 HydrophobicContact CB-CG 4.09Å; L54-L67 HydrophobicContact CD1-CD2 4.19Å; L54-L67 HydrophobicContact CD1-CG 4.09Å; L54-L67 HydrophobicContact CG-CG 4.49Å; L54-L67 PolarHBondContact N-O 2.98Å; I57-L67 HydrophobicContact CG2-CD2 4.49Å; A58-L67 HydrophobicContact CB-CB 4.35Å; C65-L67 PolarHBondContact O-N 3.21Å; C65-L67 VanDerWaalsContact O-N 3.14Å; L67-I326 HydrophobicContact CD1-CD1 4.08Å; L67-V337 HydrophobicContact CD1-CB 4.08Å; L67-V337 HydrophobicContact CD1-CG1 3.98Å; L67-V339 HydrophobicContact CD1-CG2 3.7Å
68	L	98.9	Very high	97.7	Very high	12 Å²	12	40.4 Å²	40.4	6%	0.063	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	140.2	-177.9	-55.8	-177.4	0	0	0	112	L51 I52 Q53 E66 R336 V337 V338 V339	L51-L68 HydrophobicContact CD1-CD1 4.09Å; L51-L68 HydrophobicContact CD2-CB 4.42Å; I52-L68 CarbonylContact O-C 3.55Å; I52-L68 WeakPolarHBondContact O-CA 3.4Å; Q53-L68 HydrophobicContact CB-CD2 4.19Å; Q53-L68 HydrophobicContact CG-CD2 3.38Å; E66-L68 HydrophobicContact CG-CD2 3.84Å; E66-L68 HydrophobicContact CG-CG 4.13Å; L68-R336 HydrophobicContact CD1-CG 3.97Å; L68-R336 HydrophobicContact CG-CG 4.41Å; L68-V337 PolarHBondContact N-O 3.24Å; L68-V338 HydrophobicContact CB-CG2 4.19Å; L68-V338 HydrophobicContact CD1-CG2 4.28Å; L68-V338 CarbonylContact O-C 3.45Å; L68-V338 WeakPolarHBondContact O-CA 3.47Å; L68-V339 PolarHBondContact O-N 3.27Å
69	G	98.8	Very high	97.7	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	123.8	169.8	0	0	0	0	0	112.4	L51 I52 C71 V339	L51-G69 CarbonylContact C-O 3.6Å; L51-G69 WeakPolarHBondContact CA-O 3.21Å; I52-G69 PolarHBondContact N-O 3.32Å; I52-G69 PolarHBondContact O-N 2.98Å; G69-C71 PolarHBondContact O-N 2.7Å; G69-V339 CarbonylContact C-O 3.52Å; G69-V339 WeakPolarHBondContact CA-O 3.38Å
70	K	98.9	Very high	97.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	107.3	168	-176.5	62.8	167.6	174	0	109.4	T49 L51 E72 E202 I203 D206 V338 V339 I340 L341	T49-K70 PolarHBondContact O-NZ 3.2Å; T49-K70 WeakPolarHBondContact OG1-CE 3.32Å; T49-K70 PolarHBondContact OG1-NZ 3.29Å; L51-K70 HydrophobicContact CD2-CB 3.77Å; L51-K70 HydrophobicContact CD2-CD 3.83Å; L51-K70 HydrophobicContact CD2-CG 4.37Å; L51-K70 HydrophobicContact CG-CD 4.31Å; K70-E72 VanDerWaalsContact C-N 3.27Å; K70-E72 HydrophobicContact CG-CG 4.28Å; K70-E72 PolarHBondContact O-N 2.82Å; K70-E202 WeakPolarHBondContact CE-OE2 3.35Å; K70-E202 IonicContact NZ-OE2 2.73Å; K70-E202 PolarHBondContact NZ-OE2 2.82Å; K70-I203 HydrophobicContact CD-CG1 4.16Å; K70-I203 HydrophobicContact CG-CD1 4.37Å; K70-I203 HydrophobicContact CG-CG1 4.39Å; K70-D206 IonicContact NZ-OD2 2.74Å; K70-V338 HydrophobicContact CB-CG1 4.21Å; K70-V339 PolarHBondContact N-O 3.26Å; K70-I340 HydrophobicContact CB-CD1 3.76Å; K70-I340 HydrophobicContact CG-CD1 4.02Å; K70-L341 WeakPolarHBondContact O-CB 3.48Å; K70-L341 PolarHBondContact O-N 2.99Å
71	C	98.7	Very high	97.7	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.014	14%	0.143	C	C	.	.			trans	-80.4	62.5	-167	-62.7	0	0	0	0	113.1	T49 P50 I52 G69 F73 L74	T49-C71 WeakPolarHBondContact CB-O 3.44Å; P50-C71 HydrophobicContact CG-CB 4.04Å; P50-C71 PolarHBondContact O-N 2.75Å; I52-C71 WeakPolarHBondContact CG2-SG 3.17Å; G69-C71 PolarHBondContact O-N 2.7Å; C71-F73 HydrophobicContact CB-CD1 4.22Å; C71-F73 HydrophobicContact CB-CE1 3.69Å; C71-F73 HydrophobicContact CB-CE2 4.42Å; C71-F73 HydrophobicContact CB-CZ 3.79Å; C71-F73 PolarHBondContact O-N 3.38Å; C71-L74 HydrophobicContact CB-CD1 3.75Å; C71-L74 HydrophobicContact CB-CG 4.07Å; C71-L74 WeakPolarHBondContact O-CB 3.36Å; C71-L74 PolarHBondContact O-N 3.17Å
72	E	98.7	Very high	97.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-64.1	-19.5	178.2	-70.6	-62.9	116.6	0	0	113.6	T49 K70 L74 N75 S79 V80 R83 I340 L341	T49-E72 PolarHBondContact OG1-OE1 3.13Å; K70-E72 VanDerWaalsContact C-N 3.27Å; K70-E72 HydrophobicContact CG-CG 4.28Å; K70-E72 PolarHBondContact O-N 2.82Å; E72-L74 PolarHBondContact O-N 2.56Å; E72-L74 VanDerWaalsContact O-N 3.15Å; E72-N75 PolarHBondContact O-N 2.77Å; E72-N75 PolarHBondContact O-ND2 3.24Å; E72-N75 PolarHBondContact OE2-ND2 3.06Å; E72-S79 CarbonylContact O-C 3.55Å; E72-S79 VanDerWaalsContact O-C 3.28Å; E72-S79 WeakPolarHBondContact O-CA 3.44Å; E72-V80 HydrophobicContact CB-CB 3.7Å; E72-V80 HydrophobicContact CB-CG2 4.24Å; E72-V80 HydrophobicContact CG-CB 3.96Å; E72-V80 HydrophobicContact CG-CG2 3.91Å; E72-R83 IonicContact OE1-CZ 3.19Å; E72-R83 IonicContact OE1-NE 2.77Å; E72-R83 PolarHBondContact OE1-NE 3.29Å; E72-R83 IonicContact OE1-NH2 2.75Å; E72-R83 PolarHBondContact OE1-NH2 3.19Å; E72-R83 WeakPolarHBondContact OE2-CD 3.46Å; E72-R83 IonicContact OE2-CZ 2.8Å; E72-R83 IonicContact OE2-NE 2.79Å; E72-R83 PolarHBondContact OE2-NE 2.92Å; E72-R83 IonicContact OE2-NH2 3.15Å; E72-I340 HydrophobicContact CG-CG2 4.08Å; E72-L341 WeakPolarHBondContact CB-O 3.41Å; E72-L341 PolarHBondContact N-O 2.9Å; E72-L341 VanDerWaalsContact N-O 3.16Å
73	F	97.9	Very high	97.7	Very high	8 Å²	8	19.7 Å²	19.7	4%	0.035	10%	0.098	C	C	.	.	G	3₁₀ helix	trans	-62.6	-12.5	170.6	68	-104.2	0	0	0	114.7	C71 L309 P310 C311 L341 D343 N344	C71-F73 HydrophobicContact CB-CD1 4.22Å; C71-F73 HydrophobicContact CB-CE1 3.69Å; C71-F73 HydrophobicContact CB-CE2 4.42Å; C71-F73 HydrophobicContact CB-CZ 3.79Å; C71-F73 PolarHBondContact O-N 3.38Å; F73-L309 HydrophobicContact CE1-CB 4.49Å; F73-L309 HydrophobicContact CZ-CB 4.16Å; F73-L309 HydrophobicContact CZ-CD2 4.08Å; F73-P310 HydrophobicContact CD2-CG 4.41Å; F73-P310 HydrophobicContact CE2-CG 4.15Å; F73-C311 HydrophobicContact CD1-CB 4.08Å; F73-C311 HydrophobicContact CE1-CB 4.35Å; F73-L341 HydrophobicContact CD1-CB 3.71Å; F73-L341 HydrophobicContact CD1-CD1 4.47Å; F73-L341 HydrophobicContact CE1-CB 3.91Å; F73-L341 HydrophobicContact CE1-CD1 3.81Å; F73-L341 PolarHBondContact N-O 3.33Å; F73-D343 WeakPolarHBondContact CB-O 3.36Å; F73-N344 HydrophobicContact CB-CB 3.92Å; F73-N344 PolarHBondContact O-ND2 2.72Å
74	L	97.8	Very high	97.8	Very high	99 Å²	99	18.9 Å²	18.9	52%	0.518	9%	0.094	S	C	.	.	G	3₁₀ helix	trans	-90.4	-0.8	175.8	-65.6	177.9	0	0	0	114.3	P50 C71 E72	P50-L74 HydrophobicContact CG-CD1 3.65Å; C71-L74 HydrophobicContact CB-CD1 3.75Å; C71-L74 HydrophobicContact CB-CG 4.07Å; C71-L74 WeakPolarHBondContact O-CB 3.36Å; C71-L74 PolarHBondContact O-N 3.17Å; E72-L74 PolarHBondContact O-N 2.56Å; E72-L74 VanDerWaalsContact O-N 3.15Å
75	N	97.6	Very high	97.9	Very high	5 Å²	5	13.4 Å²	13.4	3%	0.027	7%	0.068	C	C	.	.	S	Bend	trans	-59.8	153.7	167.2	-73	-77.9	0	0	0	110.1	G47 E72 G77 G78 S79 D82	G47-N75 PolarHBondContact N-OD1 3.31Å; E72-N75 PolarHBondContact O-N 2.77Å; E72-N75 PolarHBondContact O-ND2 3.24Å; E72-N75 PolarHBondContact OE2-ND2 3.06Å; N75-G77 VanDerWaalsContact C-N 3.33Å; N75-G77 PolarHBondContact O-N 3.41Å; N75-G78 WeakPolarHBondContact O-CA 3.31Å; N75-G78 PolarHBondContact O-N 3.39Å; N75-S79 WeakPolarHBondContact CB-O 3.07Å; N75-S79 PolarHBondContact ND2-O 2.93Å; N75-D82 HydrophobicContact CB-CB 3.96Å; N75-D82 WeakPolarHBondContact CB-OD2 3.41Å
76	I	95.8	Very high	97.9	Very high	68 Å²	68	14.4 Å²	14.4	35%	0.349	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-31.5	-170.3	-174.3	61.1	0	0	0	114.4	L45 I46 G78 L118	L45-I76 HydrophobicContact CB-CB 4.08Å; L45-I76 HydrophobicContact CB-CG2 4.36Å; L45-I76 HydrophobicContact CD1-CD1 4.05Å; L45-I76 HydrophobicContact CD1-CG1 4.32Å; I46-I76 HydrophobicContact CD1-CG2 4.34Å; I46-I76 HydrophobicContact CG1-CG2 3.62Å; I76-G78 VanDerWaalsContact C-N 3.3Å; I76-L118 HydrophobicContact CG2-CD2 3.57Å
77	G	95.7	Very high	97.9	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-16.6	169.9	0	0	0	0	0	112.3	N75 D82 I114 R346	N75-G77 VanDerWaalsContact C-N 3.33Å; N75-G77 PolarHBondContact O-N 3.41Å; G77-D82 VanDerWaalsContact C-OD2 3.27Å; G77-D82 WeakPolarHBondContact CA-OD1 3.34Å; G77-D82 WeakPolarHBondContact CA-OD2 3.49Å; G77-D82 PolarHBondContact N-OD2 3.15Å; G77-I114 WeakPolarHBondContact O-CG2 2.97Å; G77-R346 VanDerWaalsContact O-CZ 3.27Å; G77-R346 PolarHBondContact O-NH1 3.1Å; G77-R346 PolarHBondContact O-NH2 3.16Å
78	G	96.5	Very high	97.9	Very high	1 Å²	1	12 Å²	12	1%	0.01	6%	0.061	C	C	.	.	S	Bend	trans	104.9	13.4	171.6	0	0	0	0	0	114.3	N75 I76 D82 D343 N344	N75-G78 WeakPolarHBondContact O-CA 3.31Å; N75-G78 PolarHBondContact O-N 3.39Å; I76-G78 VanDerWaalsContact C-N 3.3Å; G78-D82 PolarHBondContact N-OD2 3.49Å; G78-D343 WeakPolarHBondContact O-CA 3.47Å; G78-N344 WeakPolarHBondContact CA-ND2 3.3Å; G78-N344 PolarHBondContact O-N 2.95Å
79	S	97.6	Very high	97.9	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.058	C	C	.	.	B	Isolated β-bridge	trans	-159.3	166.6	-177.3	76.7	0	0	0	0	115.3	E72 N75 K81 D82 N111 P342	E72-S79 CarbonylContact O-C 3.55Å; E72-S79 VanDerWaalsContact O-C 3.28Å; E72-S79 WeakPolarHBondContact O-CA 3.44Å; N75-S79 WeakPolarHBondContact CB-O 3.07Å; N75-S79 PolarHBondContact ND2-O 2.93Å; S79-K81 PolarHBondContact O-N 2.82Å; S79-K81 VanDerWaalsContact O-N 3.09Å; S79-K81 PolarHBondContact OG-N 3.22Å; S79-D82 PolarHBondContact N-OD2 3.09Å; S79-D82 WeakPolarHBondContact O-CB 3.3Å; S79-D82 PolarHBondContact O-N 3.2Å; S79-D82 VanDerWaalsContact O-N 3.14Å; S79-D82 PolarHBondContact OG-OD1 3.4Å; S79-N111 WeakPolarHBondContact OG-CB 3.19Å; S79-P342 CarbonylContact C-O 3.45Å; S79-P342 WeakPolarHBondContact CA-O 3.42Å
80	V	98.2	Very high	97.8	Very high	4 Å²	4	14 Å²	14	2%	0.024	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-24.8	170.2	69.3	0	0	0	0	113.8	E72 D82 R83 H195 T228 P342	E72-V80 HydrophobicContact CB-CB 3.7Å; E72-V80 HydrophobicContact CB-CG2 4.24Å; E72-V80 HydrophobicContact CG-CB 3.96Å; E72-V80 HydrophobicContact CG-CG2 3.91Å; V80-D82 VanDerWaalsContact C-N 3.26Å; V80-D82 PolarHBondContact O-N 3.1Å; V80-R83 PolarHBondContact O-N 3.34Å; V80-H195 WeakPolarHBondContact CG2-CE1 3.5Å; V80-T228 HydrophobicContact CG2-CG2 4.16Å; V80-P342 HydrophobicContact CG1-CB 3.9Å; V80-P342 PolarHBondContact N-O 2.98Å
81	K	97.8	Very high	97.8	Very high	25 Å²	25	14.2 Å²	14.2	11%	0.109	7%	0.071	C	C	.	.	H	α-helix	trans	-78.3	-11.1	-177.1	-63.3	-65.5	-172.6	-79.7	0	113.4	S79 R83 I84 G85 N111 T112	S79-K81 PolarHBondContact O-N 2.82Å; S79-K81 VanDerWaalsContact O-N 3.09Å; S79-K81 PolarHBondContact OG-N 3.22Å; K81-R83 PolarHBondContact O-N 2.81Å; K81-I84 HydrophobicContact CB-CG1 4.41Å; K81-I84 HydrophobicContact CD-CD1 3.6Å; K81-I84 HydrophobicContact CD-CG1 4.02Å; K81-I84 WeakPolarHBondContact O-CG1 3.32Å; K81-I84 PolarHBondContact O-N 3.37Å; K81-G85 PolarHBondContact O-N 2.8Å; K81-N111 HydrophobicContact CB-CB 3.88Å; K81-N111 HydrophobicContact CG-CB 3.75Å; K81-T112 VanDerWaalsContact CD-OG1 3.31Å; K81-T112 WeakPolarHBondContact CD-OG1 3.16Å; K81-T112 WeakPolarHBondContact CG-OG1 3.43Å
82	D	98	Very high	97.8	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-61.4	-37	172.9	-58.4	-11.9	0	0	0	110.5	I46 N75 G77 G78 S79 V80 G85 K86	I46-D82 HydrophobicContact CD1-CB 4.06Å; I46-D82 HydrophobicContact CG1-CB 4.06Å; I46-D82 HydrophobicContact CG2-CB 4.04Å; N75-D82 HydrophobicContact CB-CB 3.96Å; N75-D82 WeakPolarHBondContact CB-OD2 3.41Å; G77-D82 VanDerWaalsContact C-OD2 3.27Å; G77-D82 WeakPolarHBondContact CA-OD1 3.34Å; G77-D82 WeakPolarHBondContact CA-OD2 3.49Å; G77-D82 PolarHBondContact N-OD2 3.15Å; G78-D82 PolarHBondContact N-OD2 3.49Å; S79-D82 PolarHBondContact N-OD2 3.09Å; S79-D82 WeakPolarHBondContact O-CB 3.3Å; S79-D82 PolarHBondContact O-N 3.2Å; S79-D82 VanDerWaalsContact O-N 3.14Å; S79-D82 PolarHBondContact OG-OD1 3.4Å; V80-D82 VanDerWaalsContact C-N 3.26Å; V80-D82 PolarHBondContact O-N 3.1Å; D82-G85 PolarHBondContact O-N 2.81Å; D82-K86 WeakPolarHBondContact O-CB 3.39Å; D82-K86 PolarHBondContact O-N 3.3Å
83	R	98.2	Very high	97.7	Very high	1 Å²	1	17.4 Å²	17.4	0%	0.004	9%	0.087	C	C	.	.	H	α-helix	trans	-57.6	-51.9	175.9	-63	-175.8	180	-97.5	7.4	111.9	I46 G47 T49 E72 V80 K81 K86 R87 A194 E198 T199 E202	I46-R83 HydrophobicContact CG2-CB 4.4Å; I46-R83 HydrophobicContact CG2-CG 3.92Å; G47-R83 VanDerWaalsContact CA-CZ 3.43Å; G47-R83 VanDerWaalsContact CA-NH1 3.29Å; T49-R83 PolarHBondContact OG1-NH2 2.64Å; E72-R83 IonicContact OE1-CZ 3.19Å; E72-R83 IonicContact OE1-NE 2.77Å; E72-R83 PolarHBondContact OE1-NE 3.29Å; E72-R83 IonicContact OE1-NH2 2.75Å; E72-R83 PolarHBondContact OE1-NH2 3.19Å; E72-R83 WeakPolarHBondContact OE2-CD 3.46Å; E72-R83 IonicContact OE2-CZ 2.8Å; E72-R83 IonicContact OE2-NE 2.79Å; E72-R83 PolarHBondContact OE2-NE 2.92Å; E72-R83 IonicContact OE2-NH2 3.15Å; V80-R83 PolarHBondContact O-N 3.34Å; K81-R83 PolarHBondContact O-N 2.81Å; R83-K86 PolarHBondContact O-N 3.17Å; R83-R87 WeakPolarHBondContact O-CB 3.36Å; R83-R87 PolarHBondContact O-N 3.45Å; R83-A194 HydrophobicContact CB-CB 4.44Å; R83-E198 IonicContact NH1-OE2 2.76Å; R83-T199 WeakPolarHBondContact CD-OG1 3.36Å; R83-T199 PolarHBondContact NE-OG1 3.31Å; R83-E202 IonicContact CZ-OE1 3.79Å; R83-E202 IonicContact CZ-OE2 2.92Å; R83-E202 IonicContact NH1-OE1 3.73Å; R83-E202 PolarHBondContact NH1-OE1 3.33Å; R83-E202 IonicContact NH1-OE2 2.71Å; R83-E202 VanDerWaalsContact NH2-CD 3.32Å; R83-E202 IonicContact NH2-OE1 3.86Å; R83-E202 PolarHBondContact NH2-OE1 3.46Å; R83-E202 IonicContact NH2-OE2 3.49Å; R83-E202 PolarHBondContact NH2-OE2 2.83Å
84	I	98.2	Very high	97.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-73.7	-33.8	-177	76.2	165.2	0	0	0	111.4	K81 K86 R87 M88 T112 Q185 N191 A194 H195	K81-I84 HydrophobicContact CB-CG1 4.41Å; K81-I84 HydrophobicContact CD-CD1 3.6Å; K81-I84 HydrophobicContact CD-CG1 4.02Å; K81-I84 WeakPolarHBondContact O-CG1 3.32Å; K81-I84 PolarHBondContact O-N 3.37Å; I84-K86 VanDerWaalsContact C-N 3.33Å; I84-K86 PolarHBondContact O-N 3.5Å; I84-R87 PolarHBondContact O-N 2.69Å; I84-M88 HydrophobicContact CB-CE 4.37Å; I84-M88 HydrophobicContact CD1-CE 4.08Å; I84-M88 HydrophobicContact CG1-CE 4.07Å; I84-M88 VanDerWaalsContact O-CB 3.31Å; I84-M88 WeakPolarHBondContact O-CB 3.49Å; I84-M88 WeakPolarHBondContact O-CE 3.29Å; I84-M88 VanDerWaalsContact O-CG 3.23Å; I84-M88 WeakPolarHBondContact O-CG 3.17Å; I84-M88 PolarHBondContact O-N 2.92Å; I84-T112 HydrophobicContact CD1-CG2 3.97Å; I84-T112 HydrophobicContact CG1-CG2 4.34Å; I84-Q185 HydrophobicContact CD1-CB 4.1Å; I84-N191 HydrophobicContact CD1-CB 4.3Å; I84-N191 HydrophobicContact CG2-CB 4.37Å; I84-N191 WeakPolarHBondContact CG2-OD1 3.33Å; I84-A194 HydrophobicContact CG2-CB 4.12Å; I84-H195 WeakPolarHBondContact CG2-NE2 3.31Å
85	G	98	Very high	97.7	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-60.3	-46.1	176.1	0	0	0	0	0	111.2	K81 D82 I89	K81-G85 PolarHBondContact O-N 2.8Å; D82-G85 PolarHBondContact O-N 2.81Å; G85-I89 WeakPolarHBondContact O-CD1 3.19Å; G85-I89 WeakPolarHBondContact O-CG1 3.4Å
86	K	98	Very high	97.6	Very high	25 Å²	25	24 Å²	24	11%	0.109	13%	0.131	C	C	.	.	H	α-helix	trans	-62.9	-54.6	172.6	179.2	-174.3	168.2	-170.3	0	111.6	L43 I46 D82 R83 I84 M88 I89 E90	L43-K86 HydrophobicContact CB-CD 4.36Å; L43-K86 PolarHBondContact O-NZ 2.79Å; I46-K86 HydrophobicContact CB-CD 4.43Å; I46-K86 HydrophobicContact CD1-CB 3.98Å; I46-K86 HydrophobicContact CD1-CD 4.15Å; D82-K86 WeakPolarHBondContact O-CB 3.39Å; D82-K86 PolarHBondContact O-N 3.3Å; R83-K86 PolarHBondContact O-N 3.17Å; I84-K86 VanDerWaalsContact C-N 3.33Å; I84-K86 PolarHBondContact O-N 3.5Å; K86-M88 PolarHBondContact O-N 2.82Å; K86-I89 PolarHBondContact O-N 2.72Å; K86-E90 VanDerWaalsContact CE-OE1 3.23Å; K86-E90 WeakPolarHBondContact CE-OE1 3.46Å; K86-E90 WeakPolarHBondContact CE-OE2 3.5Å; K86-E90 HydrophobicContact CG-CG 4.35Å; K86-E90 WeakPolarHBondContact O-CG 3.49Å; K86-E90 PolarHBondContact O-N 3.07Å
87	R	98.2	Very high	97.6	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.008	14%	0.14	C	C	.	.	H	α-helix	trans	-62.5	-45.1	-171.9	-172.2	64.3	-176.1	-97.6	-0	112.7	H28 I30 R83 I84 I89 E90 E91 A194 D197	H28-R87 PolarHBondContact O-NH2 3.45Å; I30-R87 VanDerWaalsContact CD1-NH1 3.32Å; I30-R87 VanDerWaalsContact CG1-NH1 3.3Å; R83-R87 WeakPolarHBondContact O-CB 3.36Å; R83-R87 PolarHBondContact O-N 3.45Å; I84-R87 PolarHBondContact O-N 2.69Å; R87-I89 VanDerWaalsContact C-N 3.3Å; R87-I89 PolarHBondContact O-N 3.01Å; R87-E90 PolarHBondContact O-N 3.28Å; R87-E91 HydrophobicContact CG-CG 4.23Å; R87-E91 IonicContact CZ-OE1 3.73Å; R87-E91 IonicContact NE-OE1 2.98Å; R87-E91 PolarHBondContact NE-OE1 3.42Å; R87-E91 IonicContact NH2-OE1 2.64Å; R87-E91 PolarHBondContact NH2-OE1 3.01Å; R87-E91 WeakPolarHBondContact O-CB 3.02Å; R87-E91 WeakPolarHBondContact O-CG 3.39Å; R87-E91 PolarHBondContact O-N 3.01Å; R87-A194 HydrophobicContact CB-CB 3.84Å; R87-A194 HydrophobicContact CG-CB 4Å; R87-D197 IonicContact CZ-OD2 3.64Å; R87-D197 IonicContact NH1-OD2 2.74Å; R87-D197 PolarHBondContact NH1-OD2 2.79Å; R87-D197 IonicContact NH2-OD2 3.72Å; R87-D197 PolarHBondContact NH2-OD2 2.75Å
88	M	98.5	Very high	97.7	Very high	1 Å²	1	27 Å²	27	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-62.6	-36.8	-179.8	-68.9	-173.3	-59.7	0	0	112.5	I84 K86 A92 T112 L116 M183 Q185 N188	I84-M88 HydrophobicContact CB-CE 4.37Å; I84-M88 HydrophobicContact CD1-CE 4.08Å; I84-M88 HydrophobicContact CG1-CE 4.07Å; I84-M88 VanDerWaalsContact O-CB 3.31Å; I84-M88 WeakPolarHBondContact O-CB 3.49Å; I84-M88 WeakPolarHBondContact O-CE 3.29Å; I84-M88 VanDerWaalsContact O-CG 3.23Å; I84-M88 WeakPolarHBondContact O-CG 3.17Å; I84-M88 PolarHBondContact O-N 2.92Å; K86-M88 PolarHBondContact O-N 2.82Å; M88-A92 VanDerWaalsContact O-CB 3.31Å; M88-A92 WeakPolarHBondContact O-CB 3.34Å; M88-A92 PolarHBondContact O-N 3.25Å; M88-A92 VanDerWaalsContact O-N 3.1Å; M88-T112 HydrophobicContact CE-CG2 4.27Å; M88-L116 HydrophobicContact CE-CD2 4.19Å; M88-M183 HydrophobicContact CE-CB 4.14Å; M88-M183 HydrophobicContact SD-CB 4.44Å; M88-Q185 HydrophobicContact CE-CB 4.4Å; M88-N188 HydrophobicContact CG-CB 4.37Å; M88-N188 WeakPolarHBondContact CG-ND2 3.18Å; M88-N188 HydrophobicContact SD-CB 3.69Å; M88-N188 PolarHBondContact SD-ND2 2.92Å
89	I	98.4	Very high	97.8	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-71.8	-47.9	177.7	-72	168.4	0	0	0	110.9	G85 K86 R87 E91 A92 E93 L98 I104 L116 T119 K123 Y125 M183	G85-I89 WeakPolarHBondContact O-CD1 3.19Å; G85-I89 WeakPolarHBondContact O-CG1 3.4Å; K86-I89 PolarHBondContact O-N 2.72Å; R87-I89 VanDerWaalsContact C-N 3.3Å; R87-I89 PolarHBondContact O-N 3.01Å; I89-E91 VanDerWaalsContact C-N 3.29Å; I89-E91 PolarHBondContact O-N 3.49Å; I89-A92 PolarHBondContact O-N 3.01Å; I89-E93 WeakPolarHBondContact O-CG 3.47Å; I89-E93 PolarHBondContact O-N 3.38Å; I89-L98 HydrophobicContact CG2-CD2 3.89Å; I89-I104 HydrophobicContact CD1-CD1 3.54Å; I89-I104 HydrophobicContact CG1-CD1 3.77Å; I89-L116 HydrophobicContact CD1-CD2 3.6Å; I89-L116 HydrophobicContact CG1-CD2 3.84Å; I89-T119 HydrophobicContact CB-CG2 3.91Å; I89-T119 HydrophobicContact CD1-CG2 3.44Å; I89-T119 VanDerWaalsContact CD1-CG2 3.44Å; I89-T119 HydrophobicContact CG1-CG2 4.26Å; I89-T119 HydrophobicContact CG2-CG2 3.88Å; I89-K123 HydrophobicContact CG2-CD 3.75Å; I89-Y125 HydrophobicContact CG2-CD2 4.31Å; I89-Y125 HydrophobicContact CG2-CE2 3.89Å; I89-M183 HydrophobicContact CG1-SD 4.26Å
90	E	97.7	Very high	97.7	Very high	53 Å²	53	37.9 Å²	37.9	25%	0.248	20%	0.202	C	C	.	.	H	α-helix	trans	-61.9	-37.5	-179.4	-71.8	179.5	163.2	0	0	111.7	K86 R87 E93 L94	K86-E90 VanDerWaalsContact CE-OE1 3.23Å; K86-E90 WeakPolarHBondContact CE-OE1 3.46Å; K86-E90 WeakPolarHBondContact CE-OE2 3.5Å; K86-E90 HydrophobicContact CG-CG 4.35Å; K86-E90 WeakPolarHBondContact O-CG 3.49Å; K86-E90 PolarHBondContact O-N 3.07Å; R87-E90 PolarHBondContact O-N 3.28Å; E90-E93 WeakPolarHBondContact O-CB 2.99Å; E90-E93 PolarHBondContact O-N 3.45Å; E90-L94 VanDerWaalsContact O-CG 3.26Å; E90-L94 WeakPolarHBondContact O-CG 3.33Å; E90-L94 PolarHBondContact O-N 3.4Å
91	E	98.1	Very high	97.6	Very high	5 Å²	5	40.2 Å²	40.2	2%	0.023	23%	0.226	C	C	.	.	H	α-helix	trans	-71.2	-38.1	175.3	-64.7	-71.6	175.5	0	0	112.1	H28 R87 I89 E93 L94 E95 Y190	H28-E91 IonicContact CE1-OE1 2.71Å; H28-E91 IonicContact CG-OE1 3.37Å; H28-E91 IonicContact CG-OE2 3.16Å; H28-E91 VanDerWaalsContact ND1-CD 3.32Å; H28-E91 IonicContact ND1-OE1 2.78Å; H28-E91 PolarHBondContact ND1-OE1 3.4Å; H28-E91 IonicContact ND1-OE2 2.68Å; H28-E91 PolarHBondContact ND1-OE2 3.37Å; R87-E91 HydrophobicContact CG-CG 4.23Å; R87-E91 IonicContact CZ-OE1 3.73Å; R87-E91 IonicContact NE-OE1 2.98Å; R87-E91 PolarHBondContact NE-OE1 3.42Å; R87-E91 IonicContact NH2-OE1 2.64Å; R87-E91 PolarHBondContact NH2-OE1 3.01Å; R87-E91 WeakPolarHBondContact O-CB 3.02Å; R87-E91 WeakPolarHBondContact O-CG 3.39Å; R87-E91 PolarHBondContact O-N 3.01Å; I89-E91 VanDerWaalsContact C-N 3.29Å; I89-E91 PolarHBondContact O-N 3.49Å; E91-E93 VanDerWaalsContact C-N 3.28Å; E91-E93 PolarHBondContact O-N 2.99Å; E91-L94 PolarHBondContact O-N 3.31Å; E91-E95 WeakPolarHBondContact O-CB 3.42Å; E91-E95 VanDerWaalsContact O-CG 3.28Å; E91-E95 WeakPolarHBondContact O-CG 3.28Å; E91-E95 PolarHBondContact O-N 3.37Å; E91-Y190 HydrophobicContact CB-CD1 4.18Å; E91-Y190 HydrophobicContact CB-CD2 3.57Å; E91-Y190 HydrophobicContact CB-CE1 4.14Å; E91-Y190 HydrophobicContact CB-CE2 3.52Å; E91-Y190 HydrophobicContact CB-CG 3.9Å; E91-Y190 VanDerWaalsContact CD-CE1 3.48Å; E91-Y190 HydrophobicContact CG-CD1 3.53Å; E91-Y190 HydrophobicContact CG-CD2 3.87Å; E91-Y190 HydrophobicContact CG-CE1 3.63Å; E91-Y190 HydrophobicContact CG-CE2 3.96Å; E91-Y190 HydrophobicContact CG-CG 3.65Å
92	A	98.1	Very high	97.6	Very high	10 Å²	10	39.6 Å²	39.6	8%	0.083	22%	0.224	C	C	.	.	H	α-helix	trans	-65	-32.3	174.7	0	0	0	0	0	112.6	M88 I89 G96 K97 L98	M88-A92 VanDerWaalsContact O-CB 3.31Å; M88-A92 WeakPolarHBondContact O-CB 3.34Å; M88-A92 PolarHBondContact O-N 3.25Å; M88-A92 VanDerWaalsContact O-N 3.1Å; I89-A92 PolarHBondContact O-N 3.01Å; A92-G96 PolarHBondContact O-N 3.1Å; A92-K97 PolarHBondContact O-N 3.18Å; A92-L98 HydrophobicContact CB-CB 3.86Å; A92-L98 PolarHBondContact O-N 3.4Å
93	E	98	Very high	97.7	Very high	58 Å²	58	40 Å²	40	27%	0.271	23%	0.226	S	C	.	.	H	α-helix	trans	-66.4	-49	170.2	-73.4	171.4	154	0	0	111.4	I89 E90 E91 E95 G96 L98 K123 Y125	I89-E93 WeakPolarHBondContact O-CG 3.47Å; I89-E93 PolarHBondContact O-N 3.38Å; E90-E93 WeakPolarHBondContact O-CB 2.99Å; E90-E93 PolarHBondContact O-N 3.45Å; E91-E93 VanDerWaalsContact C-N 3.28Å; E91-E93 PolarHBondContact O-N 2.99Å; E93-E95 VanDerWaalsContact C-N 3.31Å; E93-E95 PolarHBondContact O-N 3.21Å; E93-G96 PolarHBondContact O-N 2.91Å; E93-L98 HydrophobicContact CG-CD2 4.37Å; E93-K123 WeakPolarHBondContact OE1-CD 3.49Å; E93-K123 IonicContact OE1-NZ 3.67Å; E93-K123 PolarHBondContact OE1-NZ 2.87Å; E93-K123 IonicContact OE2-NZ 3.99Å; E93-K123 PolarHBondContact OE2-NZ 3.3Å; E93-Y125 WeakPolarHBondContact CG-OH 3.29Å; E93-Y125 PolarHBondContact OE1-OH 3.43Å
94	L	97.6	Very high	97.7	Very high	123 Å²	123	39.9 Å²	39.9	64%	0.644	23%	0.226	S	C	*	.	H	α-helix	trans	-61.2	-38.9	-179.6	-73.4	171.5	0	0	0	112.2	E90 E91 G96	E90-L94 VanDerWaalsContact O-CG 3.26Å; E90-L94 WeakPolarHBondContact O-CG 3.33Å; E90-L94 PolarHBondContact O-N 3.4Å; E91-L94 PolarHBondContact O-N 3.31Å; L94-G96 PolarHBondContact O-N 2.83Å
95	E	96.7	Very high	97.6	Very high	82 Å²	82	39.9 Å²	39.9	38%	0.383	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-3.2	176.1	-67.7	174.8	178.5	0	0	113.2	E91 E93 K97 Y190	E91-E95 WeakPolarHBondContact O-CB 3.42Å; E91-E95 VanDerWaalsContact O-CG 3.28Å; E91-E95 WeakPolarHBondContact O-CG 3.28Å; E91-E95 PolarHBondContact O-N 3.37Å; E93-E95 VanDerWaalsContact C-N 3.31Å; E93-E95 PolarHBondContact O-N 3.21Å; E95-K97 HydrophobicContact CB-CD 4.35Å; E95-K97 HydrophobicContact CB-CG 4.22Å; E95-K97 PolarHBondContact O-N 3.22Å; E95-K97 WeakPolarHBondContact OE2-CD 3.42Å; E95-K97 WeakPolarHBondContact OE2-CE 3.41Å; E95-K97 IonicContact OE2-NZ 2.68Å; E95-K97 PolarHBondContact OE2-NZ 3.46Å; E95-Y190 VanDerWaalsContact OE1-CE2 3.27Å; E95-Y190 WeakPolarHBondContact OE1-CE2 3.11Å; E95-Y190 PolarHBondContact OE1-OH 2.86Å
96	G	96.6	Very high	97.6	Very high	47 Å²	47	39.9 Å²	39.9	49%	0.485	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	8.6	-178	0	0	0	0	0	114.5	A92 E93 L94	A92-G96 PolarHBondContact O-N 3.1Å; E93-G96 PolarHBondContact O-N 2.91Å; L94-G96 PolarHBondContact O-N 2.83Å
97	K	96	Very high	97.4	Very high	123 Å²	123	38.9 Å²	38.9	54%	0.535	22%	0.222	S	C	.	.	S	Bend	trans	-67.7	-48.3	176.4	-70.3	176.1	-179.7	160.7	0	110.1	A92 E95 K99 H181	A92-K97 PolarHBondContact O-N 3.18Å; E95-K97 HydrophobicContact CB-CD 4.35Å; E95-K97 HydrophobicContact CB-CG 4.22Å; E95-K97 PolarHBondContact O-N 3.22Å; E95-K97 WeakPolarHBondContact OE2-CD 3.42Å; E95-K97 WeakPolarHBondContact OE2-CE 3.41Å; E95-K97 IonicContact OE2-NZ 2.68Å; E95-K97 PolarHBondContact OE2-NZ 3.46Å; K97-K99 PolarHBondContact O-NZ 3.34Å; K97-H181 PolarHBondContact O-CE1 2.95Å; K97-H181 PolarHBondContact O-NE2 3.26Å
98	L	97.5	Very high	97	Very high	6 Å²	6	39 Å²	39	3%	0.031	22%	0.223	C	C	.	.	S	Bend	trans	-96.7	121.4	-178.3	-164.7	70.2	0	0	0	110.7	I89 A92 E93 D102 I104 Y125 H181	I89-L98 HydrophobicContact CG2-CD2 3.89Å; A92-L98 HydrophobicContact CB-CB 3.86Å; A92-L98 PolarHBondContact O-N 3.4Å; E93-L98 HydrophobicContact CG-CD2 4.37Å; L98-D102 HydrophobicContact CD1-CB 3.64Å; L98-D102 HydrophobicContact CG-CB 4.4Å; L98-I104 HydrophobicContact CD1-CG1 4.15Å; L98-I104 HydrophobicContact CD2-CD1 4.12Å; L98-I104 HydrophobicContact CD2-CG1 4.35Å; L98-Y125 HydrophobicContact CD1-CD1 4.3Å; L98-Y125 HydrophobicContact CD1-CE1 4.1Å; L98-Y125 HydrophobicContact CD2-CD1 4.15Å; L98-Y125 HydrophobicContact CD2-CD2 4.03Å; L98-Y125 HydrophobicContact CD2-CE1 3.67Å; L98-Y125 HydrophobicContact CD2-CE2 3.53Å; L98-Y125 HydrophobicContact CD2-CG 4.32Å; L98-Y125 HydrophobicContact CG-CD1 4.15Å; L98-Y125 HydrophobicContact CG-CE1 3.51Å; L98-Y125 HydrophobicContact CG-CE2 4.3Å; L98-H181 HydrophobicContact CD1-CB 4.38Å; L98-H181 VanDerWaalsContact CD1-CD2 3.41Å; L98-H181 WeakPolarHBondContact CD1-CD2 3.44Å
99	K	97.6	Very high	95.7	Very high	106 Å²	106	40.4 Å²	40.4	46%	0.461	23%	0.233	S	C	.	.			trans	-112.4	152.1	-179.6	-69.7	170.4	-63.7	-51.3	0	110.9	K97 G101 D102 Y125	K97-K99 PolarHBondContact O-NZ 3.34Å; K99-G101 PolarHBondContact O-N 3.38Å; K99-D102 PolarHBondContact N-OD2 2.76Å; K99-D102 IonicContact NZ-OD2 2.64Å; K99-D102 PolarHBondContact NZ-OD2 2.94Å; K99-D102 WeakPolarHBondContact O-CB 3.19Å; K99-D102 PolarHBondContact O-N 3.07Å; K99-Y125 VanDerWaalsContact O-CE1 3.29Å; K99-Y125 WeakPolarHBondContact O-CE1 3.24Å
100	P	97	Very high	94.9	Very high	125 Å²	125	40.7 Å²	40.7	81%	0.812	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.8	129.9	-177.3	-28.4	35.1	0	0	0	113.3	D102	P100-D102 VanDerWaalsContact C-N 3.3Å; P100-D102 PolarHBondContact O-N 3.34Å
101	G	95.6	Very high	94.7	Very high	53 Å²	53	39.1 Å²	39.1	55%	0.546	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.3	-1.7	-178.3	0	0	0	0	0	115.6	K99	K99-G101 PolarHBondContact O-N 3.38Å
102	D	98.4	Very high	94.6	Very high	12 Å²	12	39 Å²	39	6%	0.064	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-58.2	162.1	171.4	-81.4	-3.8	0	0	0	111.4	L98 K99 P100 Y125 R126 S179 H181	L98-D102 HydrophobicContact CD1-CB 3.64Å; L98-D102 HydrophobicContact CG-CB 4.4Å; K99-D102 PolarHBondContact N-OD2 2.76Å; K99-D102 IonicContact NZ-OD2 2.64Å; K99-D102 PolarHBondContact NZ-OD2 2.94Å; K99-D102 WeakPolarHBondContact O-CB 3.19Å; K99-D102 PolarHBondContact O-N 3.07Å; P100-D102 VanDerWaalsContact C-N 3.3Å; P100-D102 PolarHBondContact O-N 3.34Å; D102-Y125 HydrophobicContact CB-CD1 4.35Å; D102-Y125 HydrophobicContact CB-CE1 4.43Å; D102-Y125 WeakPolarHBondContact O-CD1 3.31Å; D102-R126 PolarHBondContact O-N 3.04Å; D102-S179 VanDerWaalsContact CB-O 3.29Å; D102-S179 WeakPolarHBondContact CB-O 3.32Å; D102-S179 WeakPolarHBondContact OD1-CB 3.38Å; D102-H181 IonicContact OD2-CD2 3.57Å; D102-H181 IonicContact OD2-CE1 3.72Å; D102-H181 IonicContact OD2-NE2 2.76Å; D102-H181 PolarHBondContact OD2-NE2 2.9Å
103	T	98.6	Very high	94.5	Very high	7 Å²	7	38.5 Å²	38.5	4%	0.043	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	128.5	179.6	-57	0	0	0	0	110.9	I105 R126 I128 I176 S179 A180 H181	T103-I105 HydrophobicContact CG2-CG1 4.27Å; T103-R126 CarbonylContact C-O 3.57Å; T103-R126 WeakPolarHBondContact CA-O 3.38Å; T103-R126 HydrophobicContact CG2-CB 4.19Å; T103-R126 HydrophobicContact CG2-CG 4.07Å; T103-I128 HydrophobicContact CG2-CD1 3.74Å; T103-I128 HydrophobicContact CG2-CG1 3.97Å; T103-I176 HydrophobicContact CG2-CD1 4.15Å; T103-S179 PolarHBondContact N-O 2.85Å; T103-A180 CarbonylContact O-C 3.53Å; T103-A180 WeakPolarHBondContact O-CA 3.29Å; T103-H181 PolarHBondContact O-N 3.3Å
104	I	98.5	Very high	94.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	129.8	171.9	-66.5	168.9	0	0	0	108.4	I89 L98 A120 Y125 R126 C127 I128 M183	I89-I104 HydrophobicContact CD1-CD1 3.54Å; I89-I104 HydrophobicContact CG1-CD1 3.77Å; L98-I104 HydrophobicContact CD1-CG1 4.15Å; L98-I104 HydrophobicContact CD2-CD1 4.12Å; L98-I104 HydrophobicContact CD2-CG1 4.35Å; I104-A120 HydrophobicContact CD1-CB 4.12Å; I104-Y125 HydrophobicContact CD1-CD2 3.85Å; I104-Y125 HydrophobicContact CD1-CG 3.84Å; I104-Y125 HydrophobicContact CG1-CG 4.44Å; I104-R126 PolarHBondContact N-O 3.28Å; I104-C127 CarbonylContact O-C 3.58Å; I104-C127 WeakPolarHBondContact O-CA 3.21Å; I104-I128 PolarHBondContact O-N 2.55Å; I104-M183 HydrophobicContact CG2-CG 3.75Å
105	I	97.8	Very high	94.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	138	173.2	-56.5	173.3	0	0	0	107.8	T103 I128 V130 L172 K173 I176 A180 H181 I182 M183	T103-I105 HydrophobicContact CG2-CG1 4.27Å; I105-I128 CarbonylContact C-O 3.06Å; I105-I128 VanDerWaalsContact CA-O 3.3Å; I105-I128 WeakPolarHBondContact CA-O 3.08Å; I105-I128 HydrophobicContact CG1-CB 4.32Å; I105-I128 HydrophobicContact CG1-CD1 4.46Å; I105-V130 HydrophobicContact CG2-CG2 4.11Å; I105-L172 HydrophobicContact CD1-CB 4Å; I105-K173 HydrophobicContact CD1-CB 4.03Å; I105-I176 HydrophobicContact CD1-CD1 4.21Å; I105-A180 HydrophobicContact CD1-CB 3.96Å; I105-H181 PolarHBondContact N-O 3.37Å; I105-I182 HydrophobicContact CB-CG1 4.06Å; I105-I182 HydrophobicContact CG2-CG1 4.26Å; I105-I182 VanDerWaalsContact O-CA 3.28Å; I105-I182 WeakPolarHBondContact O-CA 3.41Å; I105-M183 PolarHBondContact O-N 2.99Å
106	E	96.9	Very high	94.5	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	123.7	171	-176.1	64.8	-170.6	0	0	113.3	T108 T112 L116 I128 I129 V130 N184 Q185	E106-T108 HydrophobicContact CB-CG2 4.13Å; E106-T108 HydrophobicContact CG-CG2 3.57Å; E106-T108 PolarHBondContact O-N 3.21Å; E106-T108 VanDerWaalsContact O-N 3.13Å; E106-T112 HydrophobicContact CG-CG2 4.32Å; E106-L116 HydrophobicContact CB-CD1 3.48Å; E106-L116 VanDerWaalsContact CB-CD1 3.48Å; E106-L116 HydrophobicContact CG-CD1 3.53Å; E106-I128 PolarHBondContact N-O 2.96Å; E106-I129 HydrophobicContact CB-CD1 4.04Å; E106-V130 PolarHBondContact O-N 2.98Å; E106-N184 PolarHBondContact OE2-N 3.44Å; E106-Q185 WeakPolarHBondContact OE1-CB 3.48Å; E106-Q185 VanDerWaalsContact OE1-CG 3.25Å; E106-Q185 WeakPolarHBondContact OE1-CG 3.45Å; E106-Q185 PolarHBondContact OE1-N 2.74Å; E106-Q185 PolarHBondContact OE1-NE2 2.78Å
107	P	93.5	Very high	94.6	Very high	3 Å²	3	23.8 Å²	23.8	2%	0.019	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	93	165.4	25.4	-30.2	0	0	0	110.6	L165 F166 I182	P107-L165 HydrophobicContact CB-CB 4.4Å; P107-L165 HydrophobicContact CB-CD1 3.34Å; P107-L165 HydrophobicContact CB-CG 4.46Å; P107-F166 HydrophobicContact CB-CD1 4.17Å; P107-F166 HydrophobicContact CG-CD1 4.24Å; P107-I182 HydrophobicContact CG-CG2 4.14Å
108	T	90.1	Very high	94.7	Very high	5 Å²	5	18.6 Å²	18.6	3%	0.031	12%	0.118	C	C	.	.			trans	-152	145	-177.9	-172.6	0	0	0	0	113.3	E106 G110 G113 I129 V130 M131 Q185	E106-T108 HydrophobicContact CB-CG2 4.13Å; E106-T108 HydrophobicContact CG-CG2 3.57Å; E106-T108 PolarHBondContact O-N 3.21Å; E106-T108 VanDerWaalsContact O-N 3.13Å; T108-G110 PolarHBondContact OG1-N 3.33Å; T108-G113 VanDerWaalsContact CG2-N 3.34Å; T108-I129 HydrophobicContact CG2-CD1 4.41Å; T108-I129 HydrophobicContact CG2-CG2 3.74Å; T108-V130 PolarHBondContact N-O 2.83Å; T108-V130 VanDerWaalsContact O-O 3.09Å; T108-M131 WeakPolarHBondContact O-CA 3.13Å; T108-M131 WeakPolarHBondContact O-CB 3.37Å; T108-Q185 PolarHBondContact OG1-NE2 3.26Å
109	S	72	Confident	94.7	Very high	31 Å²	31	18.3 Å²	18.3	22%	0.217	12%	0.116	C	C	.	.	S	Bend	trans	-96.8	7.9	178.2	57.9	0	0	0	0	113.2	M135 K139	S109-M135 VanDerWaalsContact CB-SD 3.59Å; S109-M135 VanDerWaalsContact O-CG 3.28Å; S109-M135 WeakPolarHBondContact O-CG 3.01Å; S109-K139 PolarHBondContact O-NZ 2.88Å; S109-K139 VanDerWaalsContact O-NZ 3.09Å
110	G	80.4	Confident	94.7	Very high	5 Å²	5	13.2 Å²	13.2	5%	0.052	9%	0.094	C	C	.	.	S	Bend	trans	-175.7	-122.2	-174.6	0	0	0	0	0	116.7	T108 T112 G113	T108-G110 PolarHBondContact OG1-N 3.33Å; G110-T112 VanDerWaalsContact C-N 3.3Å; G110-T112 PolarHBondContact O-N 2.87Å; G110-G113 PolarHBondContact O-N 2.97Å
111	N	94.4	Very high	94.7	Very high	20 Å²	20	10 Å²	10	11%	0.107	8%	0.079	C	C	.	.	H	α-helix	trans	-61.7	-31.8	-162.4	-76	-29	0	0	0	114.6	S79 K81 G113 I114 G115 D343 N347	S79-N111 WeakPolarHBondContact OG-CB 3.19Å; K81-N111 HydrophobicContact CB-CB 3.88Å; K81-N111 HydrophobicContact CG-CB 3.75Å; N111-G113 VanDerWaalsContact C-N 3.28Å; N111-G113 PolarHBondContact O-N 3.48Å; N111-I114 WeakPolarHBondContact O-CB 3.36Å; N111-I114 PolarHBondContact O-N 2.84Å; N111-I114 VanDerWaalsContact O-N 3.12Å; N111-G115 PolarHBondContact O-N 3.27Å; N111-D343 VanDerWaalsContact ND2-CB 3.33Å; N111-D343 WeakPolarHBondContact ND2-CB 3.48Å; N111-D343 VanDerWaalsContact ND2-CG 3.34Å; N111-D343 PolarHBondContact ND2-OD2 3.08Å; N111-N347 PolarHBondContact OD1-ND2 2.66Å
112	T	96.3	Very high	94.7	Very high	3 Å²	3	11 Å²	11	2%	0.018	7%	0.071	C	C	.	.	H	α-helix	trans	-63.1	-37.8	175.2	-48.2	0	0	0	0	111.8	K81 I84 M88 E106 G110 I114 G115 L116 Q185	K81-T112 VanDerWaalsContact CD-OG1 3.31Å; K81-T112 WeakPolarHBondContact CD-OG1 3.16Å; K81-T112 WeakPolarHBondContact CG-OG1 3.43Å; I84-T112 HydrophobicContact CD1-CG2 3.97Å; I84-T112 HydrophobicContact CG1-CG2 4.34Å; M88-T112 HydrophobicContact CE-CG2 4.27Å; E106-T112 HydrophobicContact CG-CG2 4.32Å; G110-T112 VanDerWaalsContact C-N 3.3Å; G110-T112 PolarHBondContact O-N 2.87Å; T112-I114 PolarHBondContact O-N 2.94Å; T112-G115 PolarHBondContact O-N 3.39Å; T112-L116 HydrophobicContact CG2-CD1 4.01Å; T112-L116 HydrophobicContact CG2-CG 4.38Å; T112-L116 WeakPolarHBondContact O-CB 3.37Å; T112-L116 VanDerWaalsContact O-CG 3.31Å; T112-L116 WeakPolarHBondContact O-CG 3.47Å; T112-L116 PolarHBondContact O-N 3.29Å; T112-Q185 HydrophobicContact CG2-CB 4.09Å; T112-Q185 PolarHBondContact OG1-NE2 2.84Å; T112-Q185 PolarHBondContact OG1-OE1 2.92Å
113	G	96.1	Very high	94.7	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-62.9	-36.3	175.7	0	0	0	0	0	111.4	T108 G110 N111 A117 L143	T108-G113 VanDerWaalsContact CG2-N 3.34Å; G110-G113 PolarHBondContact O-N 2.97Å; N111-G113 VanDerWaalsContact C-N 3.28Å; N111-G113 PolarHBondContact O-N 3.48Å; G113-A117 WeakPolarHBondContact O-CB 3.31Å; G113-A117 PolarHBondContact O-N 2.94Å; G113-L143 WeakPolarHBondContact O-CD2 3.36Å
114	I	96.3	Very high	94.6	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-68.8	-48.3	178.2	-69	169.1	0	0	0	110.7	G77 N111 T112 L116 A117 L118 Y142 L143 L146	G77-I114 WeakPolarHBondContact O-CG2 2.97Å; N111-I114 WeakPolarHBondContact O-CB 3.36Å; N111-I114 PolarHBondContact O-N 2.84Å; N111-I114 VanDerWaalsContact O-N 3.12Å; T112-I114 PolarHBondContact O-N 2.94Å; I114-L116 VanDerWaalsContact C-N 3.3Å; I114-L116 PolarHBondContact O-N 3.14Å; I114-A117 PolarHBondContact O-N 2.95Å; I114-L118 VanDerWaalsContact O-CB 3.29Å; I114-L118 WeakPolarHBondContact O-CB 3.34Å; I114-L118 PolarHBondContact O-N 2.77Å; I114-Y142 HydrophobicContact CD1-CD1 3.85Å; I114-Y142 HydrophobicContact CD1-CE1 4.42Å; I114-Y142 HydrophobicContact CG1-CD1 3.95Å; I114-Y142 HydrophobicContact CG1-CE1 4.41Å; I114-Y142 HydrophobicContact CG2-CD1 3.92Å; I114-Y142 HydrophobicContact CG2-CE1 3.48Å; I114-Y142 VanDerWaalsContact CG2-CE1 3.48Å; I114-L143 HydrophobicContact CB-CD2 4.32Å; I114-L143 HydrophobicContact CG1-CD2 3.66Å; I114-L143 HydrophobicContact CG1-CG 4.01Å; I114-L146 HydrophobicContact CG2-CD1 4.25Å
115	G	97.5	Very high	94.6	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-59.6	-41.1	177.1	0	0	0	0	0	112.6	N111 T112 T119	N111-G115 PolarHBondContact O-N 3.27Å; T112-G115 PolarHBondContact O-N 3.39Å; G115-T119 WeakPolarHBondContact O-CB 3.31Å; G115-T119 PolarHBondContact O-N 3Å; G115-T119 PolarHBondContact O-OG1 2.91Å
116	L	98.2	Very high	94.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-69.1	-47.4	175.4	-72.5	172.8	0	0	0	112.3	M88 I89 E106 T112 I114 L118 T119 A120 M183	M88-L116 HydrophobicContact CE-CD2 4.19Å; I89-L116 HydrophobicContact CD1-CD2 3.6Å; I89-L116 HydrophobicContact CG1-CD2 3.84Å; E106-L116 HydrophobicContact CB-CD1 3.48Å; E106-L116 VanDerWaalsContact CB-CD1 3.48Å; E106-L116 HydrophobicContact CG-CD1 3.53Å; T112-L116 HydrophobicContact CG2-CD1 4.01Å; T112-L116 HydrophobicContact CG2-CG 4.38Å; T112-L116 WeakPolarHBondContact O-CB 3.37Å; T112-L116 VanDerWaalsContact O-CG 3.31Å; T112-L116 WeakPolarHBondContact O-CG 3.47Å; T112-L116 PolarHBondContact O-N 3.29Å; I114-L116 VanDerWaalsContact C-N 3.3Å; I114-L116 PolarHBondContact O-N 3.14Å; L116-L118 PolarHBondContact O-N 2.92Å; L116-T119 PolarHBondContact O-N 3.06Å; L116-A120 WeakPolarHBondContact O-CB 3.22Å; L116-A120 PolarHBondContact O-N 2.81Å; L116-M183 HydrophobicContact CD1-CB 4.12Å; L116-M183 HydrophobicContact CD1-CG 4.22Å; L116-M183 HydrophobicContact CD2-CB 4.25Å; L116-M183 HydrophobicContact CD2-CG 3.83Å
117	A	97.8	Very high	94.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-62.3	-41.8	179.9	0	0	0	0	0	111.9	G113 I114 T119 A120 A121 L143 L146 A148	G113-A117 WeakPolarHBondContact O-CB 3.31Å; G113-A117 PolarHBondContact O-N 2.94Å; I114-A117 PolarHBondContact O-N 2.95Å; A117-T119 VanDerWaalsContact C-N 3.33Å; A117-T119 PolarHBondContact O-N 2.91Å; A117-A120 PolarHBondContact O-N 2.84Å; A117-A121 WeakPolarHBondContact O-CB 3.43Å; A117-A121 PolarHBondContact O-N 3.25Å; A117-L143 HydrophobicContact CB-CD2 3.94Å; A117-L146 HydrophobicContact CB-CB 3.95Å; A117-L146 HydrophobicContact CB-CD1 4.05Å; A117-A148 HydrophobicContact CB-CB 3.93Å
118	L	97.6	Very high	94.9	Very high	14 Å²	14	21.7 Å²	21.7	7%	0.073	13%	0.127	C	C	.	.	H	α-helix	trans	-59	-46.5	174.6	177.4	67.8	0	0	0	111.3	I76 I114 L116 L122 L146	I76-L118 HydrophobicContact CG2-CD2 3.57Å; I114-L118 VanDerWaalsContact O-CB 3.29Å; I114-L118 WeakPolarHBondContact O-CB 3.34Å; I114-L118 PolarHBondContact O-N 2.77Å; L116-L118 PolarHBondContact O-N 2.92Å; L118-L122 HydrophobicContact CD1-CD1 4.27Å; L118-L122 HydrophobicContact CG-CD1 4.35Å; L118-L122 WeakPolarHBondContact O-CD1 3.27Å; L118-L122 WeakPolarHBondContact O-CG 3.2Å; L118-L122 PolarHBondContact O-N 2.85Å; L118-L146 HydrophobicContact CB-CD1 4.36Å; L118-L146 HydrophobicContact CB-CD2 4.48Å; L118-L146 HydrophobicContact CD1-CD2 4Å
119	T	98	Very high	95.2	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-67.9	-41.8	179.7	-58	0	0	0	0	111.6	L43 I89 G115 L116 A117 L122 K123	L43-T119 HydrophobicContact CD1-CG2 4.13Å; L43-T119 HydrophobicContact CD2-CG2 4.39Å; L43-T119 WeakPolarHBondContact CD2-OG1 3.5Å; I89-T119 HydrophobicContact CB-CG2 3.91Å; I89-T119 HydrophobicContact CD1-CG2 3.44Å; I89-T119 VanDerWaalsContact CD1-CG2 3.44Å; I89-T119 HydrophobicContact CG1-CG2 4.26Å; I89-T119 HydrophobicContact CG2-CG2 3.88Å; G115-T119 WeakPolarHBondContact O-CB 3.31Å; G115-T119 PolarHBondContact O-N 3Å; G115-T119 PolarHBondContact O-OG1 2.91Å; L116-T119 PolarHBondContact O-N 3.06Å; A117-T119 VanDerWaalsContact C-N 3.33Å; A117-T119 PolarHBondContact O-N 2.91Å; T119-L122 PolarHBondContact O-N 3.37Å; T119-K123 HydrophobicContact CG2-CD 3.76Å; T119-K123 WeakPolarHBondContact O-CB 3.39Å; T119-K123 PolarHBondContact O-N 3.41Å
120	A	98.1	Very high	96.2	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-60.8	-45.7	176.3	0	0	0	0	0	112	I104 L116 A117 L122 K123 G124 Y125 C127	I104-A120 HydrophobicContact CD1-CB 4.12Å; L116-A120 WeakPolarHBondContact O-CB 3.22Å; L116-A120 PolarHBondContact O-N 2.81Å; A117-A120 PolarHBondContact O-N 2.84Å; A120-L122 VanDerWaalsContact C-N 3.29Å; A120-L122 PolarHBondContact O-N 2.89Å; A120-K123 CarbonylContact O-C 3.6Å; A120-K123 PolarHBondContact O-N 2.79Å; A120-G124 PolarHBondContact O-N 3.15Å; A120-Y125 PolarHBondContact O-N 3.29Å; A120-C127 HydrophobicContact CB-CB 3.79Å
121	A	97.2	Very high	96.6	Very high	58 Å²	58	19.7 Å²	19.7	48%	0.479	11%	0.113	S	C	.	.	H	α-helix	trans	-59	-39.7	178.4	0	0	0	0	0	112.4	A117	A117-A121 WeakPolarHBondContact O-CB 3.43Å; A117-A121 PolarHBondContact O-N 3.25Å
122	L	96.1	Very high	96.1	Very high	72 Å²	72	19.5 Å²	19.5	38%	0.377	11%	0.113	S	C	.	.	H	α-helix	trans	-80.2	-23	-178.8	-67.6	164.3	0	0	0	113.8	S42 L43 L118 T119 A120	S42-L122 WeakPolarHBondContact OG-CD1 3.25Å; L43-L122 HydrophobicContact CD1-CB 4.47Å; L43-L122 HydrophobicContact CD1-CD1 4.32Å; L43-L122 HydrophobicContact CD2-CD1 3.8Å; L43-L122 HydrophobicContact CG-CD1 3.63Å; L118-L122 HydrophobicContact CD1-CD1 4.27Å; L118-L122 HydrophobicContact CG-CD1 4.35Å; L118-L122 WeakPolarHBondContact O-CD1 3.27Å; L118-L122 WeakPolarHBondContact O-CG 3.2Å; L118-L122 PolarHBondContact O-N 2.85Å; T119-L122 PolarHBondContact O-N 3.37Å; A120-L122 VanDerWaalsContact C-N 3.29Å; A120-L122 PolarHBondContact O-N 2.89Å
123	K	96.9	Very high	95.2	Very high	62 Å²	62	20.4 Å²	20.4	27%	0.27	12%	0.118	S	C	.	.	H	α-helix	trans	-102.2	-5.4	-179.9	-72.5	171.4	167.1	-78.6	0	113.6	I89 E93 T119 A120 Y125	I89-K123 HydrophobicContact CG2-CD 3.75Å; E93-K123 WeakPolarHBondContact OE1-CD 3.49Å; E93-K123 IonicContact OE1-NZ 3.67Å; E93-K123 PolarHBondContact OE1-NZ 2.87Å; E93-K123 IonicContact OE2-NZ 3.99Å; E93-K123 PolarHBondContact OE2-NZ 3.3Å; T119-K123 HydrophobicContact CG2-CD 3.76Å; T119-K123 WeakPolarHBondContact O-CB 3.39Å; T119-K123 PolarHBondContact O-N 3.41Å; A120-K123 CarbonylContact O-C 3.6Å; A120-K123 PolarHBondContact O-N 2.79Å; K123-Y125 HydrophobicContact CB-CD2 3.66Å; K123-Y125 HydrophobicContact CB-CE2 3.52Å; K123-Y125 HydrophobicContact CD-CE2 4.18Å; K123-Y125 HydrophobicContact CG-CE2 4.46Å
124	G	96.6	Very high	94.1	Very high	50 Å²	50	26.3 Å²	26.3	52%	0.515	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	31	175.8	0	0	0	0	0	114.2	A120	A120-G124 PolarHBondContact O-N 3.15Å
125	Y	98.5	Very high	93.1	Very high	20 Å²	20	27.7 Å²	27.7	8%	0.078	15%	0.15	C	C	.	.			trans	-94.3	144.1	174.2	-63.3	-64.1	0	0	0	111.4	I89 E93 L98 K99 D102 I104 A120 K123	I89-Y125 HydrophobicContact CG2-CD2 4.31Å; I89-Y125 HydrophobicContact CG2-CE2 3.89Å; E93-Y125 WeakPolarHBondContact CG-OH 3.29Å; E93-Y125 PolarHBondContact OE1-OH 3.43Å; L98-Y125 HydrophobicContact CD1-CD1 4.3Å; L98-Y125 HydrophobicContact CD1-CE1 4.1Å; L98-Y125 HydrophobicContact CD2-CD1 4.15Å; L98-Y125 HydrophobicContact CD2-CD2 4.03Å; L98-Y125 HydrophobicContact CD2-CE1 3.67Å; L98-Y125 HydrophobicContact CD2-CE2 3.53Å; L98-Y125 HydrophobicContact CD2-CG 4.32Å; L98-Y125 HydrophobicContact CG-CD1 4.15Å; L98-Y125 HydrophobicContact CG-CE1 3.51Å; L98-Y125 HydrophobicContact CG-CE2 4.3Å; K99-Y125 VanDerWaalsContact O-CE1 3.29Å; K99-Y125 WeakPolarHBondContact O-CE1 3.24Å; D102-Y125 HydrophobicContact CB-CD1 4.35Å; D102-Y125 HydrophobicContact CB-CE1 4.43Å; D102-Y125 WeakPolarHBondContact O-CD1 3.31Å; I104-Y125 HydrophobicContact CD1-CD2 3.85Å; I104-Y125 HydrophobicContact CD1-CG 3.84Å; I104-Y125 HydrophobicContact CG1-CG 4.44Å; A120-Y125 PolarHBondContact O-N 3.29Å; K123-Y125 HydrophobicContact CB-CD2 3.66Å; K123-Y125 HydrophobicContact CB-CE2 3.52Å; K123-Y125 HydrophobicContact CD-CE2 4.18Å; K123-Y125 HydrophobicContact CG-CE2 4.46Å
126	R	98.2	Very high	92.3	Very high	106 Å²	106	28.1 Å²	28.1	40%	0.4	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	132.6	164.6	-177.6	-178	179.8	-157.5	-1.6	108.1	D102 T103 I104 E149	D102-R126 PolarHBondContact O-N 3.04Å; T103-R126 CarbonylContact C-O 3.57Å; T103-R126 WeakPolarHBondContact CA-O 3.38Å; T103-R126 HydrophobicContact CG2-CB 4.19Å; T103-R126 HydrophobicContact CG2-CG 4.07Å; I104-R126 PolarHBondContact N-O 3.28Å; R126-E149 IonicContact CZ-OE1 3.68Å; R126-E149 IonicContact CZ-OE2 2.84Å; R126-E149 IonicContact NE-OE1 2.63Å; R126-E149 PolarHBondContact NE-OE1 3.49Å; R126-E149 IonicContact NE-OE2 3.33Å; R126-E149 VanDerWaalsContact NH2-CD 3.34Å; R126-E149 IonicContact NH2-OE1 4Å; R126-E149 PolarHBondContact NH2-OE1 3.19Å; R126-E149 VanDerWaalsContact NH2-OE1 3.16Å; R126-E149 IonicContact NH2-OE2 3.94Å; R126-E149 PolarHBondContact NH2-OE2 3.14Å
127	C	98.3	Very high	91.5	Very high	5 Å²	5	31.6 Å²	31.6	3%	0.034	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	127.9	-178.9	-170.1	0	0	0	0	110.8	I104 A120 A148 E149	I104-C127 CarbonylContact O-C 3.58Å; I104-C127 WeakPolarHBondContact O-CA 3.21Å; A120-C127 HydrophobicContact CB-CB 3.79Å; C127-A148 HydrophobicContact CB-CB 4.26Å; C127-A148 CarbonylContact O-C 3.57Å; C127-A148 WeakPolarHBondContact O-CA 3.25Å; C127-E149 PolarHBondContact O-N 3.2Å
128	I	97.8	Very high	90.9	Very high	4 Å²	4	33.9 Å²	33.9	2%	0.021	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	118.8	177.3	-51.1	178.3	0	0	0	108.4	T103 I104 I105 E106 E149 V151 L172 I176	T103-I128 HydrophobicContact CG2-CD1 3.74Å; T103-I128 HydrophobicContact CG2-CG1 3.97Å; I104-I128 PolarHBondContact O-N 2.55Å; I105-I128 CarbonylContact C-O 3.06Å; I105-I128 VanDerWaalsContact CA-O 3.3Å; I105-I128 WeakPolarHBondContact CA-O 3.08Å; I105-I128 HydrophobicContact CG1-CB 4.32Å; I105-I128 HydrophobicContact CG1-CD1 4.46Å; E106-I128 PolarHBondContact N-O 2.96Å; I128-E149 CarbonylContact C-O 3.48Å; I128-E149 WeakPolarHBondContact CA-O 3.36Å; I128-E149 HydrophobicContact CG1-CB 4.21Å; I128-E149 HydrophobicContact CG2-CB 4.42Å; I128-V151 HydrophobicContact CG2-CG2 3.9Å; I128-L172 HydrophobicContact CG2-CD1 4.35Å; I128-I176 HydrophobicContact CD1-CD1 3.56Å
129	I	96.9	Very high	90.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	122	177.3	-57.2	-54	0	0	0	109.4	E106 T108 M131 L143 A148 E149 I150 V151	E106-I129 HydrophobicContact CB-CD1 4.04Å; T108-I129 HydrophobicContact CG2-CD1 4.41Å; T108-I129 HydrophobicContact CG2-CG2 3.74Å; I129-M131 HydrophobicContact CG2-CB 4.47Å; I129-M131 HydrophobicContact CG2-CE 3.75Å; I129-L143 HydrophobicContact CB-CD1 4.44Å; I129-L143 HydrophobicContact CG1-CD1 4.41Å; I129-L143 HydrophobicContact CG1-CD2 4.12Å; I129-L143 HydrophobicContact CG2-CD1 4.11Å; I129-A148 HydrophobicContact CG1-CB 4.14Å; I129-E149 PolarHBondContact N-O 2.77Å; I129-I150 HydrophobicContact CB-CD1 4.04Å; I129-I150 WeakPolarHBondContact O-CA 3.48Å; I129-V151 PolarHBondContact O-N 3.09Å
130	V	94	Very high	90.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	112.2	176.4	-171.3	0	0	0	0	108.4	I105 E106 T108 V151 T153 L165 V168 S169 L172	I105-V130 HydrophobicContact CG2-CG2 4.11Å; E106-V130 PolarHBondContact O-N 2.98Å; T108-V130 PolarHBondContact N-O 2.83Å; T108-V130 VanDerWaalsContact O-O 3.09Å; V130-V151 CarbonylContact C-O 3.51Å; V130-V151 WeakPolarHBondContact CA-O 2.88Å; V130-V151 HydrophobicContact CG1-CB 4.47Å; V130-V151 HydrophobicContact CG1-CG1 4.46Å; V130-V151 HydrophobicContact CG2-CB 4.26Å; V130-T153 HydrophobicContact CG1-CG2 3.63Å; V130-L165 HydrophobicContact CG1-CB 4.18Å; V130-V168 HydrophobicContact CG1-CB 4.11Å; V130-V168 HydrophobicContact CG1-CG1 3.78Å; V130-S169 WeakPolarHBondContact CB-OG 3.34Å; V130-S169 WeakPolarHBondContact CG2-OG 3.39Å; V130-L172 HydrophobicContact CG2-CD1 3.68Å
131	M	88.8	Confident	89.7	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	151.4	-172.4	64.4	169.6	52.9	0	0	112.7	T108 I129 M135 L143 I150 V151 R152 T153	T108-M131 WeakPolarHBondContact O-CA 3.13Å; T108-M131 WeakPolarHBondContact O-CB 3.37Å; I129-M131 HydrophobicContact CG2-CB 4.47Å; I129-M131 HydrophobicContact CG2-CE 3.75Å; M131-M135 HydrophobicContact SD-CB 4.23Å; M131-L143 HydrophobicContact CE-CD1 3.22Å; M131-I150 HydrophobicContact CE-CD1 4.32Å; M131-I150 HydrophobicContact CG-CG2 3.89Å; M131-I150 HydrophobicContact SD-CG2 3.92Å; M131-V151 PolarHBondContact N-O 2.85Å; M131-R152 CarbonylContact O-C 3.55Å; M131-R152 VanDerWaalsContact O-CA 3.27Å; M131-R152 WeakPolarHBondContact O-CA 3.35Å; M131-T153 PolarHBondContact O-N 3.41Å; M131-T153 PolarHBondContact O-OG1 3.32Å
132	S	83.6	Confident	89.5	Confident	15 Å²	15	39.3 Å²	39.3	11%	0.105	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	155.5	179.2	68	0	0	0	0	112.8	K134 M135 R152 T153	S132-K134 VanDerWaalsContact C-N 3.27Å; S132-K134 PolarHBondContact O-N 3.44Å; S132-M135 PolarHBondContact O-N 3.36Å; S132-M135 VanDerWaalsContact O-N 3.16Å; S132-R152 PolarHBondContact O-NH1 3.46Å; S132-T153 CarbonylContact C-O 3.55Å; S132-T153 VanDerWaalsContact CA-O 3.24Å; S132-T153 WeakPolarHBondContact CA-O 3.39Å
133	D	77.2	Confident	89.4	Confident	22 Å²	22	35.9 Å²	35.9	12%	0.118	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-36	176.9	-71.2	-29.4	0	0	0	113.4	M135 R152 T153 R456 N457	D133-M135 PolarHBondContact O-N 3.28Å; D133-R152 PolarHBondContact O-NH1 2.83Å; D133-R152 WeakPolarHBondContact OD1-CB 3.09Å; D133-T153 PolarHBondContact N-O 2.78Å; D133-R456 WeakPolarHBondContact OD2-CD 3.41Å; D133-N457 WeakPolarHBondContact CB-OD1 3.43Å; D133-N457 PolarHBondContact O-ND2 2.85Å; D133-N457 PolarHBondContact O-OD1 3.32Å
134	K	72.5	Confident	89.3	Confident	124 Å²	124	38.7 Å²	38.7	54%	0.539	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-14	179.5	-78.2	175.2	-167.4	166.7	0	114.9	S132 A155 N457	S132-K134 VanDerWaalsContact C-N 3.27Å; S132-K134 PolarHBondContact O-N 3.44Å; K134-A155 HydrophobicContact CB-CB 3.9Å; K134-A155 HydrophobicContact CD-CB 3.5Å; K134-A155 HydrophobicContact CG-CB 3.37Å; K134-A155 PolarHBondContact NZ-O 2.82Å; K134-N457 PolarHBondContact N-OD1 3Å
135	M	76.1	Confident	89.2	Confident	29 Å²	29	41.6 Å²	41.6	14%	0.143	21%	0.212	C	C	.	.	S	Bend	trans	-76.4	136.9	-176.2	-67.5	-56.7	115	0	0	112.4	S109 M131 S132 D133 R152 E269	S109-M135 VanDerWaalsContact CB-SD 3.59Å; S109-M135 VanDerWaalsContact O-CG 3.28Å; S109-M135 WeakPolarHBondContact O-CG 3.01Å; M131-M135 HydrophobicContact SD-CB 4.23Å; S132-M135 PolarHBondContact O-N 3.36Å; S132-M135 VanDerWaalsContact O-N 3.16Å; D133-M135 PolarHBondContact O-N 3.28Å; M135-R152 PolarHBondContact O-NH1 3.21Å; M135-R152 PolarHBondContact O-NH2 3.41Å; M135-E269 VanDerWaalsContact SD-OE2 3.38Å
136	S	79.1	Confident	89.1	Confident	9 Å²	9	42.1 Å²	42.1	6%	0.063	22%	0.216	C	C	.	.			trans	-51.8	146.2	-175.1	65	0	0	0	0	113.1	E138 K139 E140	S136-E138 VanDerWaalsContact CB-OE2 3.29Å; S136-E138 WeakPolarHBondContact CB-OE2 3.45Å; S136-E138 PolarHBondContact O-N 2.75Å; S136-K139 PolarHBondContact O-N 3.21Å; S136-K139 WeakPolarHBondContact OG-CB 3.43Å; S136-K139 WeakPolarHBondContact OG-CD 3.46Å; S136-K139 WeakPolarHBondContact OG-CG 3.26Å; S136-K139 PolarHBondContact OG-N 3.04Å; S136-E140 PolarHBondContact O-N 3.44Å
137	S	81.9	Confident	89	Confident	74 Å²	74	39.9 Å²	39.9	52%	0.517	23%	0.226	S	C	.	.	H	α-helix	trans	-66	-28.2	175.1	53.1	0	0	0	0	112.1	E140 S141	S137-E140 WeakPolarHBondContact O-CB 3.49Å; S137-E140 PolarHBondContact O-N 3.07Å; S137-S141 WeakPolarHBondContact O-CB 3.22Å; S137-S141 PolarHBondContact O-N 2.83Å; S137-S141 PolarHBondContact O-OG 3.18Å
138	E	86.4	Confident	89	Confident	48 Å²	48	39.9 Å²	39.9	22%	0.224	23%	0.226	C	C	.	.	H	α-helix	trans	-61.4	-45.9	178.6	-63.9	89.1	153.1	0	0	111.7	S136 S141 Y142 S350	S136-E138 VanDerWaalsContact CB-OE2 3.29Å; S136-E138 WeakPolarHBondContact CB-OE2 3.45Å; S136-E138 PolarHBondContact O-N 2.75Å; E138-S141 PolarHBondContact O-N 3.2Å; E138-Y142 PolarHBondContact O-N 3.1Å; E138-S350 WeakPolarHBondContact OE1-CB 3.32Å; E138-S350 PolarHBondContact OE1-OG 2.97Å
139	K	87.4	Confident	88.9	Confident	5 Å²	5	43.5 Å²	43.5	2%	0.022	24%	0.243	C	C	.	.	H	α-helix	trans	-58.9	-46.3	172.7	-74.6	172.4	178	179.3	0	111.4	S109 S136 Y142 L143 E269 N347	S109-K139 PolarHBondContact O-NZ 2.88Å; S109-K139 VanDerWaalsContact O-NZ 3.09Å; S136-K139 PolarHBondContact O-N 3.21Å; S136-K139 WeakPolarHBondContact OG-CB 3.43Å; S136-K139 WeakPolarHBondContact OG-CD 3.46Å; S136-K139 WeakPolarHBondContact OG-CG 3.26Å; S136-K139 PolarHBondContact OG-N 3.04Å; K139-Y142 PolarHBondContact O-N 2.94Å; K139-L143 WeakPolarHBondContact O-CB 3.31Å; K139-L143 WeakPolarHBondContact O-CD1 3.27Å; K139-L143 VanDerWaalsContact O-CG 3.25Å; K139-L143 WeakPolarHBondContact O-CG 3.19Å; K139-L143 PolarHBondContact O-N 2.8Å; K139-E269 IonicContact NZ-OE2 2.66Å; K139-E269 PolarHBondContact NZ-OE2 2.94Å; K139-N347 HydrophobicContact CG-CB 4.19Å
140	E	89.6	Confident	88.7	Confident	36 Å²	36	44.4 Å²	44.4	17%	0.168	25%	0.248	C	C	.	.	H	α-helix	trans	-61.2	-48.1	179.1	-171.9	-176.9	151.1	0	0	111.5	S136 S137 Y142 L143 R144 I150 R152	S136-E140 PolarHBondContact O-N 3.44Å; S137-E140 WeakPolarHBondContact O-CB 3.49Å; S137-E140 PolarHBondContact O-N 3.07Å; E140-Y142 VanDerWaalsContact C-N 3.31Å; E140-Y142 PolarHBondContact O-N 3.46Å; E140-L143 PolarHBondContact O-N 2.89Å; E140-R144 HydrophobicContact CG-CG 4.41Å; E140-R144 WeakPolarHBondContact O-CB 3.48Å; E140-R144 WeakPolarHBondContact O-CG 3.3Å; E140-R144 PolarHBondContact O-N 3.13Å; E140-R144 IonicContact OE1-CZ 3.07Å; E140-R144 IonicContact OE1-NE 3.57Å; E140-R144 PolarHBondContact OE1-NE 3.3Å; E140-R144 IonicContact OE1-NH2 2.68Å; E140-R144 PolarHBondContact OE1-NH2 3.33Å; E140-I150 HydrophobicContact CG-CB 4.41Å; E140-I150 HydrophobicContact CG-CG1 3.91Å; E140-I150 HydrophobicContact CG-CG2 4.18Å; E140-R152 IonicContact OE2-CZ 2.73Å; E140-R152 IonicContact OE2-NE 3.44Å; E140-R152 PolarHBondContact OE2-NE 2.85Å; E140-R152 IonicContact OE2-NH2 2.82Å; E140-R152 PolarHBondContact OE2-NH2 3.43Å
141	S	90.8	Very high	88.6	Confident	82 Å²	82	46.5 Å²	46.5	57%	0.573	26%	0.26	S	S	*	.	H	α-helix	trans	-58.4	-43.4	178.6	-71.5	0	0	0	0	111.8	S137 E138 C145	S137-S141 WeakPolarHBondContact O-CB 3.22Å; S137-S141 PolarHBondContact O-N 2.83Å; S137-S141 PolarHBondContact O-OG 3.18Å; E138-S141 PolarHBondContact O-N 3.2Å; S141-C145 WeakPolarHBondContact O-CB 3.49Å; S141-C145 PolarHBondContact O-N 3.11Å
142	Y	92.9	Very high	88.5	Confident	62 Å²	62	49.8 Å²	49.8	24%	0.243	27%	0.273	C	S	.	.	H	α-helix	trans	-67.5	-43.9	178.4	-171.2	-127.5	0	0	0	112.2	I114 E138 K139 E140 R144 C145 L146 R346	I114-Y142 HydrophobicContact CD1-CD1 3.85Å; I114-Y142 HydrophobicContact CD1-CE1 4.42Å; I114-Y142 HydrophobicContact CG1-CD1 3.95Å; I114-Y142 HydrophobicContact CG1-CE1 4.41Å; I114-Y142 HydrophobicContact CG2-CD1 3.92Å; I114-Y142 HydrophobicContact CG2-CE1 3.48Å; I114-Y142 VanDerWaalsContact CG2-CE1 3.48Å; E138-Y142 PolarHBondContact O-N 3.1Å; K139-Y142 PolarHBondContact O-N 2.94Å; E140-Y142 VanDerWaalsContact C-N 3.31Å; E140-Y142 PolarHBondContact O-N 3.46Å; Y142-R144 PolarHBondContact O-N 3.16Å; Y142-C145 WeakPolarHBondContact O-CB 3.38Å; Y142-C145 PolarHBondContact O-N 3.42Å; Y142-L146 HydrophobicContact CD1-CD1 4.16Å; Y142-L146 HydrophobicContact CE1-CD1 3.86Å; Y142-L146 WeakPolarHBondContact O-CG 3.35Å; Y142-L146 PolarHBondContact O-N 3.19Å; Y142-R346 VanDerWaalsContact CE1-CZ 3.47Å
143	L	95	Very high	88.5	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-60.5	-44.6	176	-73.7	167.6	0	0	0	112.6	G113 I114 A117 I129 M131 K139 E140 C145 L146 G147 A148 I150	G113-L143 WeakPolarHBondContact O-CD2 3.36Å; I114-L143 HydrophobicContact CB-CD2 4.32Å; I114-L143 HydrophobicContact CG1-CD2 3.66Å; I114-L143 HydrophobicContact CG1-CG 4.01Å; A117-L143 HydrophobicContact CB-CD2 3.94Å; I129-L143 HydrophobicContact CB-CD1 4.44Å; I129-L143 HydrophobicContact CG1-CD1 4.41Å; I129-L143 HydrophobicContact CG1-CD2 4.12Å; I129-L143 HydrophobicContact CG2-CD1 4.11Å; M131-L143 HydrophobicContact CE-CD1 3.22Å; K139-L143 WeakPolarHBondContact O-CB 3.31Å; K139-L143 WeakPolarHBondContact O-CD1 3.27Å; K139-L143 VanDerWaalsContact O-CG 3.25Å; K139-L143 WeakPolarHBondContact O-CG 3.19Å; K139-L143 PolarHBondContact O-N 2.8Å; E140-L143 PolarHBondContact O-N 2.89Å; L143-C145 VanDerWaalsContact C-N 3.29Å; L143-C145 PolarHBondContact O-N 3.4Å; L143-L146 CarbonylContact O-C 3.42Å; L143-L146 WeakPolarHBondContact O-CA 3.48Å; L143-L146 WeakPolarHBondContact O-CB 3.13Å; L143-L146 PolarHBondContact O-N 3.13Å; L143-L146 VanDerWaalsContact O-N 3.14Å; L143-G147 PolarHBondContact O-N 3Å; L143-A148 HydrophobicContact CB-CB 4.27Å; L143-A148 VanDerWaalsContact O-CB 3.31Å; L143-A148 WeakPolarHBondContact O-CB 3.45Å; L143-A148 PolarHBondContact O-N 3.09Å; L143-I150 HydrophobicContact CB-CD1 3.7Å; L143-I150 HydrophobicContact CD1-CD1 3.91Å; L143-I150 HydrophobicContact CG-CD1 4.45Å
144	R	94.4	Very high	88.4	Confident	121 Å²	121	50.3 Å²	50.3	46%	0.457	28%	0.277	S	S	.	.	H	α-helix	trans	-63.4	-36.2	175.6	-70.9	-174.5	-174.2	-73.7	4.4	112	E140 Y142 L146 G147 I150	E140-R144 HydrophobicContact CG-CG 4.41Å; E140-R144 WeakPolarHBondContact O-CB 3.48Å; E140-R144 WeakPolarHBondContact O-CG 3.3Å; E140-R144 PolarHBondContact O-N 3.13Å; E140-R144 IonicContact OE1-CZ 3.07Å; E140-R144 IonicContact OE1-NE 3.57Å; E140-R144 PolarHBondContact OE1-NE 3.3Å; E140-R144 IonicContact OE1-NH2 2.68Å; E140-R144 PolarHBondContact OE1-NH2 3.33Å; Y142-R144 PolarHBondContact O-N 3.16Å; R144-L146 VanDerWaalsContact C-N 3.28Å; R144-L146 PolarHBondContact O-N 3.24Å; R144-G147 WeakPolarHBondContact O-CA 3.48Å; R144-G147 PolarHBondContact O-N 3.03Å; R144-I150 HydrophobicContact CG-CG1 3.76Å
145	C	94.8	Very high	88.2	Confident	111 Å²	111	45.9 Å²	45.9	75%	0.75	26%	0.264	S	S	*	.	H	α-helix	trans	-65.4	-32.9	174.8	-171.4	0	0	0	0	112.2	S141 Y142 L143 G147	S141-C145 WeakPolarHBondContact O-CB 3.49Å; S141-C145 PolarHBondContact O-N 3.11Å; Y142-C145 WeakPolarHBondContact O-CB 3.38Å; Y142-C145 PolarHBondContact O-N 3.42Å; L143-C145 VanDerWaalsContact C-N 3.29Å; L143-C145 PolarHBondContact O-N 3.4Å; C145-G147 PolarHBondContact O-N 3.4Å
146	L	96.1	Very high	87.6	Confident	32 Å²	32	49.3 Å²	49.3	17%	0.168	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	3.8	169.5	-65.5	170.7	0	0	0	113.4	I114 A117 L118 Y142 L143 R144	I114-L146 HydrophobicContact CG2-CD1 4.25Å; A117-L146 HydrophobicContact CB-CB 3.95Å; A117-L146 HydrophobicContact CB-CD1 4.05Å; L118-L146 HydrophobicContact CB-CD1 4.36Å; L118-L146 HydrophobicContact CB-CD2 4.48Å; L118-L146 HydrophobicContact CD1-CD2 4Å; Y142-L146 HydrophobicContact CD1-CD1 4.16Å; Y142-L146 HydrophobicContact CE1-CD1 3.86Å; Y142-L146 WeakPolarHBondContact O-CG 3.35Å; Y142-L146 PolarHBondContact O-N 3.19Å; L143-L146 CarbonylContact O-C 3.42Å; L143-L146 WeakPolarHBondContact O-CA 3.48Å; L143-L146 WeakPolarHBondContact O-CB 3.13Å; L143-L146 PolarHBondContact O-N 3.13Å; L143-L146 VanDerWaalsContact O-N 3.14Å; R144-L146 VanDerWaalsContact C-N 3.28Å; R144-L146 PolarHBondContact O-N 3.24Å
147	G	96.2	Very high	86.9	Confident	59 Å²	59	50 Å²	50	61%	0.608	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	10.3	179.6	0	0	0	0	0	114.6	L143 R144 C145	L143-G147 PolarHBondContact O-N 3Å; R144-G147 WeakPolarHBondContact O-CA 3.48Å; R144-G147 PolarHBondContact O-N 3.03Å; C145-G147 PolarHBondContact O-N 3.4Å
148	A	97.3	Very high	86.4	Confident	4 Å²	4	51 Å²	51	3%	0.033	30%	0.296	C	S	.	.			trans	-77.8	137.9	176.7	0	0	0	0	0	112	A117 C127 I129 L143	A117-A148 HydrophobicContact CB-CB 3.93Å; C127-A148 HydrophobicContact CB-CB 4.26Å; C127-A148 CarbonylContact O-C 3.57Å; C127-A148 WeakPolarHBondContact O-CA 3.25Å; I129-A148 HydrophobicContact CG1-CB 4.14Å; L143-A148 HydrophobicContact CB-CB 4.27Å; L143-A148 VanDerWaalsContact O-CB 3.31Å; L143-A148 WeakPolarHBondContact O-CB 3.45Å; L143-A148 PolarHBondContact O-N 3.09Å
149	E	95.9	Very high	85.6	Confident	80 Å²	80	50.1 Å²	50.1	37%	0.374	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	145.3	166.2	-67.9	171.1	-129	0	0	109.7	R126 C127 I128 I129	R126-E149 IonicContact CZ-OE1 3.68Å; R126-E149 IonicContact CZ-OE2 2.84Å; R126-E149 IonicContact NE-OE1 2.63Å; R126-E149 PolarHBondContact NE-OE1 3.49Å; R126-E149 IonicContact NE-OE2 3.33Å; R126-E149 VanDerWaalsContact NH2-CD 3.34Å; R126-E149 IonicContact NH2-OE1 4Å; R126-E149 PolarHBondContact NH2-OE1 3.19Å; R126-E149 VanDerWaalsContact NH2-OE1 3.16Å; R126-E149 IonicContact NH2-OE2 3.94Å; R126-E149 PolarHBondContact NH2-OE2 3.14Å; C127-E149 PolarHBondContact O-N 3.2Å; I128-E149 CarbonylContact C-O 3.48Å; I128-E149 WeakPolarHBondContact CA-O 3.36Å; I128-E149 HydrophobicContact CG1-CB 4.21Å; I128-E149 HydrophobicContact CG2-CB 4.42Å; I129-E149 PolarHBondContact N-O 2.77Å
150	I	92.7	Very high	85	Confident	19 Å²	19	53.8 Å²	53.8	10%	0.097	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	126.5	-174.7	-51	-66.4	0	0	0	109	I129 M131 E140 L143 R144 R152	I129-I150 HydrophobicContact CB-CD1 4.04Å; I129-I150 WeakPolarHBondContact O-CA 3.48Å; M131-I150 HydrophobicContact CE-CD1 4.32Å; M131-I150 HydrophobicContact CG-CG2 3.89Å; M131-I150 HydrophobicContact SD-CG2 3.92Å; E140-I150 HydrophobicContact CG-CB 4.41Å; E140-I150 HydrophobicContact CG-CG1 3.91Å; E140-I150 HydrophobicContact CG-CG2 4.18Å; L143-I150 HydrophobicContact CB-CD1 3.7Å; L143-I150 HydrophobicContact CD1-CD1 3.91Å; L143-I150 HydrophobicContact CG-CD1 4.45Å; R144-I150 HydrophobicContact CG-CG1 3.76Å; I150-R152 HydrophobicContact CG2-CG 4.4Å
151	V	91.7	Very high	84.3	Confident	44 Å²	44	54.9 Å²	54.9	27%	0.267	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	119.6	170.8	179.8	0	0	0	0	108.1	I128 I129 V130 M131 V168 L172	I128-V151 HydrophobicContact CG2-CG2 3.9Å; I129-V151 PolarHBondContact O-N 3.09Å; V130-V151 CarbonylContact C-O 3.51Å; V130-V151 WeakPolarHBondContact CA-O 2.88Å; V130-V151 HydrophobicContact CG1-CB 4.47Å; V130-V151 HydrophobicContact CG1-CG1 4.46Å; V130-V151 HydrophobicContact CG2-CB 4.26Å; M131-V151 PolarHBondContact N-O 2.85Å; V151-V168 HydrophobicContact CG1-CG1 3.93Å; V151-L172 HydrophobicContact CB-CD1 4.29Å; V151-L172 HydrophobicContact CG1-CD1 4.3Å; V151-L172 HydrophobicContact CG2-CD1 3.91Å
152	R	86.1	Confident	83.8	Confident	70 Å²	70	55.5 Å²	55.5	26%	0.264	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	138.5	-179.3	-73.1	-72.8	-176	165.7	5.8	110.8	M131 S132 D133 M135 E140 I150	M131-R152 CarbonylContact O-C 3.55Å; M131-R152 VanDerWaalsContact O-CA 3.27Å; M131-R152 WeakPolarHBondContact O-CA 3.35Å; S132-R152 PolarHBondContact O-NH1 3.46Å; D133-R152 PolarHBondContact O-NH1 2.83Å; D133-R152 WeakPolarHBondContact OD1-CB 3.09Å; M135-R152 PolarHBondContact O-NH1 3.21Å; M135-R152 PolarHBondContact O-NH2 3.41Å; E140-R152 IonicContact OE2-CZ 2.73Å; E140-R152 IonicContact OE2-NE 3.44Å; E140-R152 PolarHBondContact OE2-NE 2.85Å; E140-R152 IonicContact OE2-NH2 2.82Å; E140-R152 PolarHBondContact OE2-NH2 3.43Å; I150-R152 HydrophobicContact CG2-CG 4.4Å
153	T	85.2	Confident	83.2	Confident	5 Å²	5	57 Å²	57	3%	0.031	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	151.9	177.6	54.8	0	0	0	0	112	V130 M131 S132 D133 A155 D163 V168	V130-T153 HydrophobicContact CG1-CG2 3.63Å; M131-T153 PolarHBondContact O-N 3.41Å; M131-T153 PolarHBondContact O-OG1 3.32Å; S132-T153 CarbonylContact C-O 3.55Å; S132-T153 VanDerWaalsContact CA-O 3.24Å; S132-T153 WeakPolarHBondContact CA-O 3.39Å; D133-T153 PolarHBondContact N-O 2.78Å; T153-A155 PolarHBondContact O-N 3.13Å; T153-D163 WeakPolarHBondContact CB-O 3.43Å; T153-V168 HydrophobicContact CG2-CB 3.93Å; T153-V168 HydrophobicContact CG2-CG1 3.96Å; T153-V168 HydrophobicContact CG2-CG2 3.8Å
154	P	74.2	Confident	82.7	Confident	43 Å²	43	57.1 Å²	57.1	28%	0.279	33%	0.333	S	S	.	.			trans	-59.4	129.8	177.5	-22.9	33.9	0	0	0	111.9	S156 A157 D163	P154-S156 PolarHBondContact O-N 3.08Å; P154-A157 WeakPolarHBondContact O-CB 3.37Å; P154-A157 PolarHBondContact O-N 2.99Å; P154-D163 HydrophobicContact CG-CB 4.11Å
155	A	68.1	Low	82.3	Confident	31 Å²	31	52.8 Å²	52.8	26%	0.256	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-1.5	-176.3	0	0	0	0	0	115.4	K134 T153	K134-A155 HydrophobicContact CB-CB 3.9Å; K134-A155 HydrophobicContact CD-CB 3.5Å; K134-A155 HydrophobicContact CG-CB 3.37Å; K134-A155 PolarHBondContact NZ-O 2.82Å; T153-A155 PolarHBondContact O-N 3.13Å
156	S	64.3	Low	82.1	Confident	101 Å²	101	48.3 Å²	48.3	71%	0.706	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	-1.1	174.3	58.6	0	0	0	0	112.8	P154 N158	P154-S156 PolarHBondContact O-N 3.08Å; S156-N158 PolarHBondContact O-N 2.74Å
157	A	64.3	Low	81.8	Confident	22 Å²	22	48.6 Å²	48.6	18%	0.182	29%	0.288	C	S	.	.			trans	-80	110.7	-179.1	0	0	0	0	0	110.1	P154 N161 D163	P154-A157 WeakPolarHBondContact O-CB 3.37Å; P154-A157 PolarHBondContact O-N 2.99Å; A157-N161 HydrophobicContact CB-CB 3.99Å; A157-D163 HydrophobicContact CB-CB 4.41Å
158	N	70.4	Confident	81.5	Confident	97 Å²	97	46.9 Å²	46.9	52%	0.519	27%	0.266	S	S	.	.			trans	-56	159.2	168.6	-67.3	-2.9	0	0	0	110.7	S156 D160 N161 S164	S156-N158 PolarHBondContact O-N 2.74Å; N158-D160 WeakPolarHBondContact CB-OD1 3.2Å; N158-D160 PolarHBondContact O-N 3.37Å; N158-N161 VanDerWaalsContact O-CB 3.24Å; N158-N161 WeakPolarHBondContact O-CB 3.46Å; N158-N161 PolarHBondContact O-N 2.89Å; N158-S164 WeakPolarHBondContact O-CB 3.34Å
159	F	70.7	Confident	81.4	Confident	29 Å²	29	46.7 Å²	46.7	13%	0.127	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-24.5	-171.3	71.6	-91.3	0	0	0	114.7	W5 R7 P8 S164 F166 F275	W5-F159 HydrophobicContact CH2-CD2 4.06Å; W5-F159 HydrophobicContact CH2-CE2 4.36Å; R7-F159 VanDerWaalsContact NH2-CE2 3.33Å; P8-F159 HydrophobicContact CG-CD2 4.29Å; F159-S164 WeakPolarHBondContact O-CB 3.33Å; F159-S164 PolarHBondContact O-OG 3.05Å; F159-F166 HydrophobicContact CB-CD2 3.56Å; F159-F166 HydrophobicContact CB-CE2 3.42Å; F159-F166 VanDerWaalsContact CB-CE2 3.42Å; F159-F166 HydrophobicContact CB-CZ 4.44Å; F159-F275 HydrophobicContact CB-CD1 4.38Å; F159-F275 HydrophobicContact CB-CE1 4.48Å; F159-F275 HydrophobicContact CD1-CB 4.26Å; F159-F275 HydrophobicContact CD1-CD1 4.01Å; F159-F275 HydrophobicContact CD1-CG 4.42Å; F159-F275 HydrophobicContact CE1-CB 4.05Å; F159-F275 HydrophobicContact CG-CD1 4.27Å
160	D	73.4	Confident	81.3	Confident	81 Å²	81	43.9 Å²	43.9	43%	0.433	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-4.7	178.7	64.7	-17.3	0	0	0	114.4	W5 N158 L167	W5-D160 HydrophobicContact CH2-CB 4.42Å; N158-D160 WeakPolarHBondContact CB-OD1 3.2Å; N158-D160 PolarHBondContact O-N 3.37Å; D160-L167 WeakPolarHBondContact O-CD1 3.17Å
161	N	75.6	Confident	81.3	Confident	60 Å²	60	49 Å²	49	32%	0.321	27%	0.273	S	S	.	.	S	Bend	trans	-69.5	138.5	175.1	-175	-53	0	0	0	110.5	A157 N158 D163 S164 L167	A157-N161 HydrophobicContact CB-CB 3.99Å; N158-N161 VanDerWaalsContact O-CB 3.24Å; N158-N161 WeakPolarHBondContact O-CB 3.46Å; N158-N161 PolarHBondContact O-N 2.89Å; N161-D163 PolarHBondContact O-N 2.99Å; N161-D163 PolarHBondContact OD1-N 2.92Å; N161-S164 WeakPolarHBondContact O-CA 3.14Å; N161-S164 WeakPolarHBondContact O-CB 3.26Å; N161-S164 PolarHBondContact O-N 2.89Å; N161-S164 PolarHBondContact O-OG 3.45Å; N161-L167 WeakPolarHBondContact O-CD1 3.3Å
162	P	79.6	Confident	81.4	Confident	95 Å²	95	48.4 Å²	48.4	62%	0.617	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-30.8	176	-29	35.6	0	0	0	115.6	S164	P162-S164 VanDerWaalsContact C-N 3.32Å
163	D	81.2	Confident	81.9	Confident	93 Å²	93	47.7 Å²	47.7	50%	0.497	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	5.2	178.1	-62.3	-36.6	0	0	0	112.8	T153 P154 A157 N161	T153-D163 WeakPolarHBondContact CB-O 3.43Å; P154-D163 HydrophobicContact CG-CB 4.11Å; A157-D163 HydrophobicContact CB-CB 4.41Å; N161-D163 PolarHBondContact O-N 2.99Å; N161-D163 PolarHBondContact OD1-N 2.92Å
164	S	84.3	Confident	82.4	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.014	29%	0.288	C	S	.	.	S	Bend	trans	-66.1	151.3	176.6	87.4	0	0	0	0	111.1	N158 F159 N161 P162 F166 L167 V168	N158-S164 WeakPolarHBondContact O-CB 3.34Å; F159-S164 WeakPolarHBondContact O-CB 3.33Å; F159-S164 PolarHBondContact O-OG 3.05Å; N161-S164 WeakPolarHBondContact O-CA 3.14Å; N161-S164 WeakPolarHBondContact O-CB 3.26Å; N161-S164 PolarHBondContact O-N 2.89Å; N161-S164 PolarHBondContact O-OG 3.45Å; P162-S164 VanDerWaalsContact C-N 3.32Å; S164-F166 PolarHBondContact O-N 3.35Å; S164-F166 VanDerWaalsContact O-N 3.08Å; S164-F166 PolarHBondContact OG-N 2.81Å; S164-L167 PolarHBondContact O-N 2.95Å; S164-L167 PolarHBondContact OG-N 3.14Å; S164-V168 WeakPolarHBondContact O-CB 3.22Å; S164-V168 VanDerWaalsContact O-CG2 3.3Å; S164-V168 WeakPolarHBondContact O-CG2 3.39Å; S164-V168 PolarHBondContact O-N 2.63Å
165	L	86.7	Confident	83.4	Confident	31 Å²	31	55.7 Å²	55.7	16%	0.162	30%	0.303	C	S	.	.	H	α-helix	trans	-53.8	-30.2	174.6	56.4	94.7	0	0	0	113.1	P107 V130 S169	P107-L165 HydrophobicContact CB-CB 4.4Å; P107-L165 HydrophobicContact CB-CD1 3.34Å; P107-L165 HydrophobicContact CB-CG 4.46Å; V130-L165 HydrophobicContact CG1-CB 4.18Å; L165-S169 WeakPolarHBondContact O-CB 3.36Å; L165-S169 PolarHBondContact O-N 2.89Å; L165-S169 VanDerWaalsContact O-N 3.17Å; L165-S169 PolarHBondContact O-OG 3.42Å
166	F	89.3	Confident	84.8	Confident	16 Å²	16	56.7 Å²	56.7	7%	0.07	30%	0.304	C	S	.	.	H	α-helix	trans	-72.7	-52.2	178.3	-56.8	-82.1	0	0	0	112	W5 P8 P107 F159 S164 S169 E170 Y186 F275	W5-F166 HydrophobicContact CZ2-CB 4.13Å; P8-F166 HydrophobicContact CB-CD1 4.32Å; P8-F166 HydrophobicContact CB-CE1 3.82Å; P8-F166 HydrophobicContact CB-CZ 4.32Å; P8-F166 HydrophobicContact CG-CD1 4.19Å; P8-F166 HydrophobicContact CG-CE1 3.89Å; P8-F166 HydrophobicContact CG-CZ 4.08Å; P107-F166 HydrophobicContact CB-CD1 4.17Å; P107-F166 HydrophobicContact CG-CD1 4.24Å; F159-F166 HydrophobicContact CB-CD2 3.56Å; F159-F166 HydrophobicContact CB-CE2 3.42Å; F159-F166 VanDerWaalsContact CB-CE2 3.42Å; F159-F166 HydrophobicContact CB-CZ 4.44Å; S164-F166 PolarHBondContact O-N 3.35Å; S164-F166 VanDerWaalsContact O-N 3.08Å; S164-F166 PolarHBondContact OG-N 2.81Å; F166-S169 WeakPolarHBondContact O-CB 3.18Å; F166-S169 PolarHBondContact O-N 3.4Å; F166-E170 PolarHBondContact O-N 3.35Å; F166-Y186 AromaticContact CE1-CD2 3.61Å; F166-Y186 HydrophobicContact CE1-CD2 3.61Å; F166-Y186 AromaticContact CE1-CE2 3.46Å; F166-Y186 HydrophobicContact CE1-CE2 3.46Å; F166-Y186 VanDerWaalsContact CE1-CE2 3.46Å; F166-Y186 HydrophobicContact CE1-CG 4.27Å; F166-Y186 HydrophobicContact CZ-CD2 4.35Å; F166-Y186 AromaticContact CZ-CE2 3.95Å; F166-Y186 HydrophobicContact CZ-CE2 3.95Å; F166-F275 HydrophobicContact CE2-CE1 4.23Å; F166-F275 HydrophobicContact CE2-CZ 4.49Å; F166-F275 AromaticContact CZ-CE1 3.91Å; F166-F275 HydrophobicContact CZ-CE1 3.91Å; F166-F275 AromaticContact CZ-CZ 3.74Å; F166-F275 HydrophobicContact CZ-CZ 3.74Å
167	L	90	Very high	86.3	Confident	38 Å²	38	53 Å²	53	20%	0.199	28%	0.281	C	S	.	.	H	α-helix	trans	-73	-32.8	-177.1	-70.7	-175.7	0	0	0	112.3	W5 D160 N161 S164 S169 E170 K171	W5-L167 HydrophobicContact CD2-CD2 3.66Å; W5-L167 HydrophobicContact CE3-CD2 4.1Å; W5-L167 HydrophobicContact CG-CD2 3.9Å; W5-L167 HydrophobicContact CZ2-CD2 4.21Å; W5-L167 HydrophobicContact CZ2-CG 4.48Å; D160-L167 WeakPolarHBondContact O-CD1 3.17Å; N161-L167 WeakPolarHBondContact O-CD1 3.3Å; S164-L167 PolarHBondContact O-N 2.95Å; S164-L167 PolarHBondContact OG-N 3.14Å; L167-S169 VanDerWaalsContact C-N 3.34Å; L167-E170 PolarHBondContact O-N 3.18Å; L167-K171 WeakPolarHBondContact O-CB 3.44Å; L167-K171 PolarHBondContact O-N 3.47Å
168	V	91.7	Very high	87.8	Confident	24 Å²	24	58 Å²	58	15%	0.145	31%	0.312	C	S	.	.	H	α-helix	trans	-63.2	-40.6	170.4	172.1	0	0	0	0	111	V130 V151 T153 S164 K171 L172	V130-V168 HydrophobicContact CG1-CB 4.11Å; V130-V168 HydrophobicContact CG1-CG1 3.78Å; V151-V168 HydrophobicContact CG1-CG1 3.93Å; T153-V168 HydrophobicContact CG2-CB 3.93Å; T153-V168 HydrophobicContact CG2-CG1 3.96Å; T153-V168 HydrophobicContact CG2-CG2 3.8Å; S164-V168 WeakPolarHBondContact O-CB 3.22Å; S164-V168 VanDerWaalsContact O-CG2 3.3Å; S164-V168 WeakPolarHBondContact O-CG2 3.39Å; S164-V168 PolarHBondContact O-N 2.63Å; V168-K171 PolarHBondContact O-N 2.78Å; V168-L172 HydrophobicContact CG1-CD1 4.16Å; V168-L172 WeakPolarHBondContact O-CG 3.35Å; V168-L172 PolarHBondContact O-N 3Å
169	S	94.1	Very high	89	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-62.3	-43.4	174.6	-62.2	0	0	0	0	112.2	V130 L165 F166 L167 L172 K173	V130-S169 WeakPolarHBondContact CB-OG 3.34Å; V130-S169 WeakPolarHBondContact CG2-OG 3.39Å; L165-S169 WeakPolarHBondContact O-CB 3.36Å; L165-S169 PolarHBondContact O-N 2.89Å; L165-S169 VanDerWaalsContact O-N 3.17Å; L165-S169 PolarHBondContact O-OG 3.42Å; F166-S169 WeakPolarHBondContact O-CB 3.18Å; F166-S169 PolarHBondContact O-N 3.4Å; L167-S169 VanDerWaalsContact C-N 3.34Å; S169-L172 PolarHBondContact O-N 3.47Å; S169-K173 PolarHBondContact O-N 3.33Å
170	E	93.4	Very high	90.3	Very high	20 Å²	20	54.3 Å²	54.3	9%	0.093	30%	0.298	C	S	.	.	H	α-helix	trans	-64.6	-39.7	175.8	-73.7	-64.4	164.9	0	0	112.5	W5 F166 L167 K173 N174 I182	W5-E170 HydrophobicContact CG-CG 4.43Å; F166-E170 PolarHBondContact O-N 3.35Å; L167-E170 PolarHBondContact O-N 3.18Å; E170-K173 WeakPolarHBondContact O-CB 3.42Å; E170-K173 PolarHBondContact O-N 2.99Å; E170-K173 IonicContact OE1-NZ 3.53Å; E170-K173 IonicContact OE2-NZ 3.41Å; E170-K173 PolarHBondContact OE2-NZ 2.78Å; E170-N174 PolarHBondContact O-N 3.02Å; E170-N174 PolarHBondContact O-ND2 2.97Å; E170-N174 VanDerWaalsContact O-ND2 3.08Å; E170-I182 HydrophobicContact CG-CD1 4.07Å; E170-I182 WeakPolarHBondContact OE1-CD1 3.2Å
171	K	93.5	Very high	91.4	Very high	128 Å²	128	52.2 Å²	52.2	56%	0.557	29%	0.285	S	S	*	.	H	α-helix	trans	-59.3	-49.5	174.7	-178.8	178.4	171.4	-178.3	0	111	L167 V168 K173 N174 E175	L167-K171 WeakPolarHBondContact O-CB 3.44Å; L167-K171 PolarHBondContact O-N 3.47Å; V168-K171 PolarHBondContact O-N 2.78Å; K171-K173 VanDerWaalsContact C-N 3.32Å; K171-K173 PolarHBondContact O-N 3.33Å; K171-N174 PolarHBondContact O-N 3.38Å; K171-E175 WeakPolarHBondContact CE-OE1 3.42Å; K171-E175 WeakPolarHBondContact CG-OE1 3.36Å; K171-E175 IonicContact NZ-OE1 3.38Å; K171-E175 WeakPolarHBondContact O-CG 3.43Å; K171-E175 PolarHBondContact O-N 3.26Å
172	L	94.6	Very high	92.4	Very high	30 Å²	30	50.8 Å²	50.8	16%	0.157	28%	0.277	C	S	.	.	H	α-helix	trans	-59.9	-41.5	176.9	-70.8	167.2	0	0	0	112.1	I105 I128 V130 V151 V168 S169 N174 E175 I176	I105-L172 HydrophobicContact CD1-CB 4Å; I128-L172 HydrophobicContact CG2-CD1 4.35Å; V130-L172 HydrophobicContact CG2-CD1 3.68Å; V151-L172 HydrophobicContact CB-CD1 4.29Å; V151-L172 HydrophobicContact CG1-CD1 4.3Å; V151-L172 HydrophobicContact CG2-CD1 3.91Å; V168-L172 HydrophobicContact CG1-CD1 4.16Å; V168-L172 WeakPolarHBondContact O-CG 3.35Å; V168-L172 PolarHBondContact O-N 3Å; S169-L172 PolarHBondContact O-N 3.47Å; L172-N174 VanDerWaalsContact C-N 3.35Å; L172-N174 PolarHBondContact O-N 3.24Å; L172-E175 PolarHBondContact O-N 2.87Å; L172-I176 WeakPolarHBondContact O-CG1 3.27Å; L172-I176 PolarHBondContact O-N 3.35Å
173	K	96	Very high	93.2	Very high	56 Å²	56	46.8 Å²	46.8	24%	0.243	25%	0.251	C	S	.	.	H	α-helix	trans	-58.2	-47.6	175.4	-166.7	-171.3	94.6	-151.7	0	111.3	I105 S169 E170 K171 E175 I176 G177 A180 I182	I105-K173 HydrophobicContact CD1-CB 4.03Å; S169-K173 PolarHBondContact O-N 3.33Å; E170-K173 WeakPolarHBondContact O-CB 3.42Å; E170-K173 PolarHBondContact O-N 2.99Å; E170-K173 IonicContact OE1-NZ 3.53Å; E170-K173 IonicContact OE2-NZ 3.41Å; E170-K173 PolarHBondContact OE2-NZ 2.78Å; K171-K173 VanDerWaalsContact C-N 3.32Å; K171-K173 PolarHBondContact O-N 3.33Å; K173-E175 VanDerWaalsContact C-N 3.34Å; K173-E175 PolarHBondContact O-N 3.26Å; K173-I176 PolarHBondContact O-N 2.87Å; K173-G177 PolarHBondContact O-N 3.31Å; K173-A180 HydrophobicContact CB-CB 4.49Å; K173-A180 HydrophobicContact CG-CB 3.96Å; K173-A180 WeakPolarHBondContact CG-O 3.1Å; K173-I182 HydrophobicContact CB-CD1 4.12Å; K173-I182 HydrophobicContact CB-CG1 4.27Å; K173-I182 HydrophobicContact CD-CD1 3.93Å; K173-I182 HydrophobicContact CD-CG1 3.96Å; K173-I182 HydrophobicContact CG-CG1 4.4Å
174	N	95.1	Very high	93.9	Very high	89 Å²	89	43.1 Å²	43.1	48%	0.476	23%	0.231	S	C	.	.	H	α-helix	trans	-67.3	-34.6	-179.7	-65.4	-30.2	0	0	0	112.4	E170 K171 L172	E170-N174 PolarHBondContact O-N 3.02Å; E170-N174 PolarHBondContact O-ND2 2.97Å; E170-N174 VanDerWaalsContact O-ND2 3.08Å; K171-N174 PolarHBondContact O-N 3.38Å; L172-N174 VanDerWaalsContact C-N 3.35Å; L172-N174 PolarHBondContact O-N 3.24Å
175	E	96.3	Very high	94.4	Very high	127 Å²	127	43.2 Å²	43.2	59%	0.593	23%	0.231	S	C	*	.	H	α-helix	trans	-70.1	-39.8	176.5	-74.1	174.2	180	0	0	112.8	K171 L172 K173	K171-E175 WeakPolarHBondContact CE-OE1 3.42Å; K171-E175 WeakPolarHBondContact CG-OE1 3.36Å; K171-E175 IonicContact NZ-OE1 3.38Å; K171-E175 WeakPolarHBondContact O-CG 3.43Å; K171-E175 PolarHBondContact O-N 3.26Å; L172-E175 PolarHBondContact O-N 2.87Å; K173-E175 VanDerWaalsContact C-N 3.34Å; K173-E175 PolarHBondContact O-N 3.26Å
176	I	96.5	Very high	94.8	Very high	52 Å²	52	41.9 Å²	41.9	27%	0.267	22%	0.224	S	C	.	.	H	α-helix	trans	-77.4	-34	178.4	-64.6	164.7	0	0	0	111.2	T103 I105 I128 L172 K173 A180	T103-I176 HydrophobicContact CG2-CD1 4.15Å; I105-I176 HydrophobicContact CD1-CD1 4.21Å; I128-I176 HydrophobicContact CD1-CD1 3.56Å; L172-I176 WeakPolarHBondContact O-CG1 3.27Å; L172-I176 PolarHBondContact O-N 3.35Å; K173-I176 PolarHBondContact O-N 2.87Å; I176-A180 HydrophobicContact CB-CB 3.79Å; I176-A180 HydrophobicContact CD1-CB 4.45Å; I176-A180 HydrophobicContact CG2-CB 3.72Å
177	G	95.6	Very high	95.1	Very high	22 Å²	22	42.9 Å²	42.9	23%	0.227	23%	0.231	C	C	.	.			trans	93.9	-155	175.9	0	0	0	0	0	113.9	K173 S179 A180	K173-G177 PolarHBondContact O-N 3.31Å; G177-S179 PolarHBondContact O-N 3.21Å; G177-S179 VanDerWaalsContact O-N 3.08Å; G177-A180 PolarHBondContact O-N 3.32Å
178	P	95.1	Very high	95.4	Very high	127 Å²	127	42.4 Å²	42.4	83%	0.825	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-10.2	-163.9	27.5	-36.1	0	0	0	115.6
179	S	96.8	Very high	95.7	Very high	44 Å²	44	43.5 Å²	43.5	31%	0.308	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-3	173.2	57.8	0	0	0	0	113.1	D102 T103 G177 H181	D102-S179 VanDerWaalsContact CB-O 3.29Å; D102-S179 WeakPolarHBondContact CB-O 3.32Å; D102-S179 WeakPolarHBondContact OD1-CB 3.38Å; T103-S179 PolarHBondContact N-O 2.85Å; G177-S179 PolarHBondContact O-N 3.21Å; G177-S179 VanDerWaalsContact O-N 3.08Å; S179-H181 PolarHBondContact O-CD2 3.29Å
180	A	97.7	Very high	95.9	Very high	6 Å²	6	44.3 Å²	44.3	5%	0.05	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	131.6	177.5	0	0	0	0	0	112.4	T103 I105 K173 I176 G177	T103-A180 CarbonylContact O-C 3.53Å; T103-A180 WeakPolarHBondContact O-CA 3.29Å; I105-A180 HydrophobicContact CD1-CB 3.96Å; K173-A180 HydrophobicContact CB-CB 4.49Å; K173-A180 HydrophobicContact CG-CB 3.96Å; K173-A180 WeakPolarHBondContact CG-O 3.1Å; I176-A180 HydrophobicContact CB-CB 3.79Å; I176-A180 HydrophobicContact CD1-CB 4.45Å; I176-A180 HydrophobicContact CG2-CB 3.72Å; G177-A180 PolarHBondContact O-N 3.32Å
181	H	97.4	Very high	96.1	Very high	36 Å²	36	43.4 Å²	43.4	17%	0.167	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	125.6	-176	-53.8	-88.7	0	0	0	110.5	K97 L98 D102 T103 I105 S179 M183	K97-H181 PolarHBondContact O-CE1 2.95Å; K97-H181 PolarHBondContact O-NE2 3.26Å; L98-H181 HydrophobicContact CD1-CB 4.38Å; L98-H181 VanDerWaalsContact CD1-CD2 3.41Å; L98-H181 WeakPolarHBondContact CD1-CD2 3.44Å; D102-H181 IonicContact OD2-CD2 3.57Å; D102-H181 IonicContact OD2-CE1 3.72Å; D102-H181 IonicContact OD2-NE2 2.76Å; D102-H181 PolarHBondContact OD2-NE2 2.9Å; T103-H181 PolarHBondContact O-N 3.3Å; I105-H181 PolarHBondContact N-O 3.37Å; S179-H181 PolarHBondContact O-CD2 3.29Å; H181-M183 HydrophobicContact CB-CE 3.45Å; H181-M183 VanDerWaalsContact CB-CE 3.45Å
182	I	96.6	Very high	96.3	Very high	30 Å²	30	38.3 Å²	38.3	15%	0.154	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	119.4	170.5	-57.3	169.4	0	0	0	107.7	I105 P107 E170 K173 N184	I105-I182 HydrophobicContact CB-CG1 4.06Å; I105-I182 HydrophobicContact CG2-CG1 4.26Å; I105-I182 VanDerWaalsContact O-CA 3.28Å; I105-I182 WeakPolarHBondContact O-CA 3.41Å; P107-I182 HydrophobicContact CG-CG2 4.14Å; E170-I182 HydrophobicContact CG-CD1 4.07Å; E170-I182 WeakPolarHBondContact OE1-CD1 3.2Å; K173-I182 HydrophobicContact CB-CD1 4.12Å; K173-I182 HydrophobicContact CB-CG1 4.27Å; K173-I182 HydrophobicContact CD-CD1 3.93Å; K173-I182 HydrophobicContact CD-CG1 3.96Å; K173-I182 HydrophobicContact CG-CG1 4.4Å; I182-N184 VanDerWaalsContact C-N 3.3Å; I182-N184 HydrophobicContact CG2-CB 3.96Å; I182-N184 PolarHBondContact O-N 2.72Å
183	M	96.2	Very high	96.5	Very high	12 Å²	12	37.4 Å²	37.4	6%	0.059	21%	0.211	C	C	.	.			trans	-69.8	-31.1	-179	-64.7	-63.4	94.4	0	0	112.4	M88 I89 I104 I105 L116 H181 N188	M88-M183 HydrophobicContact CE-CB 4.14Å; M88-M183 HydrophobicContact SD-CB 4.44Å; I89-M183 HydrophobicContact CG1-SD 4.26Å; I104-M183 HydrophobicContact CG2-CG 3.75Å; I105-M183 PolarHBondContact O-N 2.99Å; L116-M183 HydrophobicContact CD1-CB 4.12Å; L116-M183 HydrophobicContact CD1-CG 4.22Å; L116-M183 HydrophobicContact CD2-CB 4.25Å; L116-M183 HydrophobicContact CD2-CG 3.83Å; H181-M183 HydrophobicContact CB-CE 3.45Å; H181-M183 VanDerWaalsContact CB-CE 3.45Å; M183-N188 WeakPolarHBondContact O-CB 3.47Å; M183-N188 PolarHBondContact O-ND2 2.85Å
184	N	94.4	Very high	96.6	Very high	16 Å²	16	34.7 Å²	34.7	9%	0.086	20%	0.199	C	C	.	.			trans	55.7	70.5	168	-164.8	-25.3	0	0	0	112.4	E106 I182 Y186 T187 N188	E106-N184 PolarHBondContact OE2-N 3.44Å; I182-N184 VanDerWaalsContact C-N 3.3Å; I182-N184 HydrophobicContact CG2-CB 3.96Å; I182-N184 PolarHBondContact O-N 2.72Å; N184-Y186 PolarHBondContact O-N 3.49Å; N184-Y186 PolarHBondContact OD1-N 2.71Å; N184-T187 PolarHBondContact ND2-OG1 2.92Å; N184-T187 VanDerWaalsContact ND2-OG1 3.14Å; N184-T187 PolarHBondContact O-N 2.8Å; N184-T187 VanDerWaalsContact O-N 3.07Å; N184-T187 PolarHBondContact OD1-N 3.15Å; N184-T187 PolarHBondContact OD1-OG1 3.49Å; N184-T187 VanDerWaalsContact OD1-OG1 3.09Å; N184-N188 VanDerWaalsContact O-CB 3.24Å; N184-N188 WeakPolarHBondContact O-CB 3.48Å; N184-N188 PolarHBondContact O-N 3.03Å
185	Q	96	Very high	96.7	Very high	3 Å²	3	30.5 Å²	30.5	1%	0.014	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-18.1	-179.3	70.7	-171.4	-73.7	0	0	115	I84 M88 E106 T108 T112 N191 T225	I84-Q185 HydrophobicContact CD1-CB 4.1Å; M88-Q185 HydrophobicContact CE-CB 4.4Å; E106-Q185 WeakPolarHBondContact OE1-CB 3.48Å; E106-Q185 VanDerWaalsContact OE1-CG 3.25Å; E106-Q185 WeakPolarHBondContact OE1-CG 3.45Å; E106-Q185 PolarHBondContact OE1-N 2.74Å; E106-Q185 PolarHBondContact OE1-NE2 2.78Å; T108-Q185 PolarHBondContact OG1-NE2 3.26Å; T112-Q185 HydrophobicContact CG2-CB 4.09Å; T112-Q185 PolarHBondContact OG1-NE2 2.84Å; T112-Q185 PolarHBondContact OG1-OE1 2.92Å; Q185-N191 PolarHBondContact O-ND2 3.18Å; Q185-T225 HydrophobicContact CG-CG2 3.78Å; Q185-T225 VanDerWaalsContact OE1-CG2 3.24Å
186	Y	95	Very high	96.8	Very high	4 Å²	4	24.8 Å²	24.8	2%	0.016	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-22.2	-177.6	-54	-85.1	0	0	0	113.1	P8 F166 N184 T225 Y273 F275 P277 T278 V279	P8-Y186 HydrophobicContact CB-CD2 4.47Å; P8-Y186 HydrophobicContact CB-CG 4.06Å; F166-Y186 AromaticContact CE1-CD2 3.61Å; F166-Y186 HydrophobicContact CE1-CD2 3.61Å; F166-Y186 AromaticContact CE1-CE2 3.46Å; F166-Y186 HydrophobicContact CE1-CE2 3.46Å; F166-Y186 VanDerWaalsContact CE1-CE2 3.46Å; F166-Y186 HydrophobicContact CE1-CG 4.27Å; F166-Y186 HydrophobicContact CZ-CD2 4.35Å; F166-Y186 AromaticContact CZ-CE2 3.95Å; F166-Y186 HydrophobicContact CZ-CE2 3.95Å; N184-Y186 PolarHBondContact O-N 3.49Å; N184-Y186 PolarHBondContact OD1-N 2.71Å; Y186-T225 HydrophobicContact CD1-CG2 4.09Å; Y186-T225 HydrophobicContact CE1-CG2 3.93Å; Y186-Y273 HydrophobicContact CE1-CD1 4.5Å; Y186-Y273 AromaticContact CE1-CE1 3.68Å; Y186-Y273 HydrophobicContact CE1-CE1 3.68Å; Y186-Y273 HydrophobicContact CE1-CE2 4.35Å; Y186-Y273 AromaticContact CE1-CZ 3.61Å; Y186-Y273 WeakPolarHBondContact CE1-OH 3.33Å; Y186-Y273 PolarHBondContact OH-OH 2.94Å; Y186-F275 AromaticContact CD1-CE2 3.94Å; Y186-F275 HydrophobicContact CD1-CE2 3.94Å; Y186-F275 AromaticContact CD1-CZ 3.75Å; Y186-F275 HydrophobicContact CD1-CZ 3.75Å; Y186-F275 HydrophobicContact CE1-CE2 4.44Å; Y186-F275 AromaticContact CE1-CZ 3.8Å; Y186-F275 HydrophobicContact CE1-CZ 3.8Å; Y186-F275 HydrophobicContact CG-CZ 4.46Å; Y186-P277 HydrophobicContact CD1-CB 4.19Å; Y186-P277 HydrophobicContact CD1-CG 4.27Å; Y186-T278 WeakPolarHBondContact O-CB 3.41Å; Y186-T278 PolarHBondContact O-N 2.91Å; Y186-T278 VanDerWaalsContact O-N 3.12Å; Y186-V279 WeakPolarHBondContact O-CG1 3.34Å; Y186-V279 PolarHBondContact O-N 2.73Å
187	T	95.4	Very high	96.9	Very high	36 Å²	36	22.6 Å²	22.6	22%	0.221	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.1	-13.7	-176.4	64.8	0	0	0	0	113.8	N184 P189	N184-T187 PolarHBondContact ND2-OG1 2.92Å; N184-T187 VanDerWaalsContact ND2-OG1 3.14Å; N184-T187 PolarHBondContact O-N 2.8Å; N184-T187 VanDerWaalsContact O-N 3.07Å; N184-T187 PolarHBondContact OD1-N 3.15Å; N184-T187 PolarHBondContact OD1-OG1 3.49Å; N184-T187 VanDerWaalsContact OD1-OG1 3.09Å; T187-P189 WeakPolarHBondContact O-CD 3.31Å
188	N	96.5	Very high	97	Very high	28 Å²	28	21.8 Å²	21.8	15%	0.15	13%	0.129	C	C	.	.			trans	-73	118.1	-178.5	-168.5	-34.8	0	0	0	111	M88 M183 N184 Y190 N191 V279	M88-N188 HydrophobicContact CG-CB 4.37Å; M88-N188 WeakPolarHBondContact CG-ND2 3.18Å; M88-N188 HydrophobicContact SD-CB 3.69Å; M88-N188 PolarHBondContact SD-ND2 2.92Å; M183-N188 WeakPolarHBondContact O-CB 3.47Å; M183-N188 PolarHBondContact O-ND2 2.85Å; N184-N188 VanDerWaalsContact O-CB 3.24Å; N184-N188 WeakPolarHBondContact O-CB 3.48Å; N184-N188 PolarHBondContact O-N 3.03Å; N188-Y190 PolarHBondContact O-N 3.12Å; N188-Y190 VanDerWaalsContact O-N 3.13Å; N188-Y190 WeakPolarHBondContact OD1-CB 3.36Å; N188-Y190 WeakPolarHBondContact OD1-CD2 3.13Å; N188-Y190 PolarHBondContact OD1-N 2.79Å; N188-N191 WeakPolarHBondContact O-CB 3.22Å; N188-N191 PolarHBondContact O-N 3.44Å; N188-N191 VanDerWaalsContact O-N 3.08Å; N188-V279 VanDerWaalsContact O-CG1 3.32Å; N188-V279 WeakPolarHBondContact O-CG1 3.2Å
189	P	97	Very high	97.2	Very high	47 Å²	47	15.7 Å²	15.7	31%	0.305	9%	0.089	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-23.4	-177.6	27.6	-36.1	0	0	0	112.5	T187 N191 P192 I193	T187-P189 WeakPolarHBondContact O-CD 3.31Å; P189-N191 PolarHBondContact O-N 3.06Å; P189-P192 WeakPolarHBondContact O-CD 3.31Å; P189-P192 VanDerWaalsContact O-CG 3.26Å; P189-P192 WeakPolarHBondContact O-CG 3.23Å; P189-I193 HydrophobicContact CB-CD1 4.04Å; P189-I193 VanDerWaalsContact O-CD1 3.22Å; P189-I193 WeakPolarHBondContact O-CD1 3.46Å; P189-I193 WeakPolarHBondContact O-CG1 3.41Å; P189-I193 PolarHBondContact O-N 3.43Å; P189-I193 VanDerWaalsContact O-N 3.13Å
190	Y	98.1	Very high	97.2	Very high	18 Å²	18	13.6 Å²	13.6	7%	0.071	8%	0.075	C	C	.	.	H	α-helix	trans	-74	-6.8	179.4	-60.7	-66.9	0	0	0	114.2	H28 E91 E95 N188 I193 A194	H28-Y190 HydrophobicContact CB-CE1 4.28Å; E91-Y190 HydrophobicContact CB-CD1 4.18Å; E91-Y190 HydrophobicContact CB-CD2 3.57Å; E91-Y190 HydrophobicContact CB-CE1 4.14Å; E91-Y190 HydrophobicContact CB-CE2 3.52Å; E91-Y190 HydrophobicContact CB-CG 3.9Å; E91-Y190 VanDerWaalsContact CD-CE1 3.48Å; E91-Y190 HydrophobicContact CG-CD1 3.53Å; E91-Y190 HydrophobicContact CG-CD2 3.87Å; E91-Y190 HydrophobicContact CG-CE1 3.63Å; E91-Y190 HydrophobicContact CG-CE2 3.96Å; E91-Y190 HydrophobicContact CG-CG 3.65Å; E95-Y190 VanDerWaalsContact OE1-CE2 3.27Å; E95-Y190 WeakPolarHBondContact OE1-CE2 3.11Å; E95-Y190 PolarHBondContact OE1-OH 2.86Å; N188-Y190 PolarHBondContact O-N 3.12Å; N188-Y190 VanDerWaalsContact O-N 3.13Å; N188-Y190 WeakPolarHBondContact OD1-CB 3.36Å; N188-Y190 WeakPolarHBondContact OD1-CD2 3.13Å; N188-Y190 PolarHBondContact OD1-N 2.79Å; Y190-I193 HydrophobicContact CD1-CB 4.27Å; Y190-I193 HydrophobicContact CD1-CD1 3.54Å; Y190-I193 HydrophobicContact CD1-CG2 4.35Å; Y190-I193 HydrophobicContact CE1-CD1 3.87Å; Y190-I193 HydrophobicContact CG-CD1 4.31Å; Y190-A194 WeakPolarHBondContact O-CB 3.47Å; Y190-A194 PolarHBondContact O-N 3.18Å
191	N	98.1	Very high	97.2	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-64.3	-64.8	165.3	-179.9	-10.5	0	0	0	110.8	I84 Q185 N188 P189 I193 A194 H195 T225 G227	I84-N191 HydrophobicContact CD1-CB 4.3Å; I84-N191 HydrophobicContact CG2-CB 4.37Å; I84-N191 WeakPolarHBondContact CG2-OD1 3.33Å; Q185-N191 PolarHBondContact O-ND2 3.18Å; N188-N191 WeakPolarHBondContact O-CB 3.22Å; N188-N191 PolarHBondContact O-N 3.44Å; N188-N191 VanDerWaalsContact O-N 3.08Å; P189-N191 PolarHBondContact O-N 3.06Å; N191-I193 VanDerWaalsContact C-N 3.33Å; N191-I193 PolarHBondContact O-N 3.28Å; N191-A194 PolarHBondContact O-N 3.21Å; N191-H195 PolarHBondContact O-CD2 3.26Å; N191-H195 VanDerWaalsContact O-CD2 3.3Å; N191-T225 PolarHBondContact ND2-OG1 2.93Å; N191-T225 VanDerWaalsContact ND2-OG1 3.1Å; N191-G227 WeakPolarHBondContact OD1-CA 3.13Å
192	P	98	Very high	97.3	Very high	22 Å²	22	14 Å²	14	14%	0.143	8%	0.076	C	C	.	.	H	α-helix	trans	-64.4	-32.9	175.9	22.6	-31.8	0	0	0	113.7	P189 A194 H195 F196 G227 A230 G231 V279	P189-P192 WeakPolarHBondContact O-CD 3.31Å; P189-P192 VanDerWaalsContact O-CG 3.26Å; P189-P192 WeakPolarHBondContact O-CG 3.23Å; P192-A194 VanDerWaalsContact C-N 3.34Å; P192-A194 PolarHBondContact O-N 2.96Å; P192-H195 PolarHBondContact O-N 3.39Å; P192-H195 VanDerWaalsContact O-N 3.11Å; P192-F196 PolarHBondContact O-N 2.94Å; P192-G227 VanDerWaalsContact CA-O 3.3Å; P192-G227 WeakPolarHBondContact CA-O 3.38Å; P192-A230 HydrophobicContact CB-CB 4.15Å; P192-G231 VanDerWaalsContact O-CA 3.25Å; P192-G231 WeakPolarHBondContact O-CA 3.47Å; P192-V279 HydrophobicContact CG-CB 4.17Å; P192-V279 HydrophobicContact CG-CG1 4.41Å
193	I	97.9	Very high	97.4	Very high	10 Å²	10	12.6 Å²	12.6	5%	0.051	7%	0.068	C	C	.	.	H	α-helix	trans	-63.8	-37.9	179.6	-64.1	157.6	0	0	0	112	H27 P189 Y190 N191 H195 F196 D197	H27-I193 HydrophobicContact CB-CD1 3.4Å; H27-I193 HydrophobicContact CB-CG1 4.33Å; H27-I193 VanDerWaalsContact CG-CD1 3.47Å; P189-I193 HydrophobicContact CB-CD1 4.04Å; P189-I193 VanDerWaalsContact O-CD1 3.22Å; P189-I193 WeakPolarHBondContact O-CD1 3.46Å; P189-I193 WeakPolarHBondContact O-CG1 3.41Å; P189-I193 PolarHBondContact O-N 3.43Å; P189-I193 VanDerWaalsContact O-N 3.13Å; Y190-I193 HydrophobicContact CD1-CB 4.27Å; Y190-I193 HydrophobicContact CD1-CD1 3.54Å; Y190-I193 HydrophobicContact CD1-CG2 4.35Å; Y190-I193 HydrophobicContact CE1-CD1 3.87Å; Y190-I193 HydrophobicContact CG-CD1 4.31Å; N191-I193 VanDerWaalsContact C-N 3.33Å; N191-I193 PolarHBondContact O-N 3.28Å; I193-H195 PolarHBondContact O-N 3.43Å; I193-F196 PolarHBondContact O-N 3.47Å; I193-F196 VanDerWaalsContact O-N 3.13Å; I193-D197 WeakPolarHBondContact CG2-OD2 3.41Å; I193-D197 WeakPolarHBondContact O-CB 3.39Å; I193-D197 PolarHBondContact O-N 2.86Å
194	A	98.4	Very high	97.5	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-56.6	-37.5	175.4	0	0	0	0	0	111.8	R83 I84 R87 Y190 N191 P192 E198	R83-A194 HydrophobicContact CB-CB 4.44Å; I84-A194 HydrophobicContact CG2-CB 4.12Å; R87-A194 HydrophobicContact CB-CB 3.84Å; R87-A194 HydrophobicContact CG-CB 4Å; Y190-A194 WeakPolarHBondContact O-CB 3.47Å; Y190-A194 PolarHBondContact O-N 3.18Å; N191-A194 PolarHBondContact O-N 3.21Å; P192-A194 VanDerWaalsContact C-N 3.34Å; P192-A194 PolarHBondContact O-N 2.96Å; A194-E198 VanDerWaalsContact O-CB 3.29Å; A194-E198 WeakPolarHBondContact O-CB 3.45Å; A194-E198 PolarHBondContact O-N 3.32Å; A194-E198 VanDerWaalsContact O-N 3.09Å
195	H	98.7	Very high	97.6	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.085	C	C	.	.	I	π-helix	trans	-79.7	-32.6	177.8	-63.8	-59.2	0	0	0	113.1	V80 I84 N191 P192 I193 T199 A200 T228	V80-H195 WeakPolarHBondContact CG2-CE1 3.5Å; I84-H195 WeakPolarHBondContact CG2-NE2 3.31Å; N191-H195 PolarHBondContact O-CD2 3.26Å; N191-H195 VanDerWaalsContact O-CD2 3.3Å; P192-H195 PolarHBondContact O-N 3.39Å; P192-H195 VanDerWaalsContact O-N 3.11Å; I193-H195 PolarHBondContact O-N 3.43Å; H195-T199 PolarHBondContact ND1-OG1 3.39Å; H195-T199 PolarHBondContact O-N 3.42Å; H195-A200 WeakPolarHBondContact O-CB 2.9Å; H195-A200 PolarHBondContact O-N 3.34Å; H195-T228 WeakPolarHBondContact CD2-CA 3.44Å; H195-T228 PolarHBondContact NE2-OG1 3.25Å; H195-T228 VanDerWaalsContact NE2-OG1 3.09Å
196	F	97.8	Very high	97.7	Very high	8 Å²	8	19.9 Å²	19.9	4%	0.035	10%	0.099	C	C	.	.	I	π-helix	trans	-65.6	-48.5	173.6	-178.2	-86.1	0	0	0	111.6	F16 I22 H29 P192 I193 G231 R234 K235 M238	F16-F196 HydrophobicContact CE1-CE2 4.42Å; F16-F196 HydrophobicContact CE1-CZ 4.35Å; I22-F196 HydrophobicContact CD1-CE1 3.55Å; I22-F196 HydrophobicContact CD1-CZ 3.84Å; H29-F196 AromaticContact CE1-CD1 3.68Å; H29-F196 AromaticContact CE1-CE1 3.7Å; H29-F196 AromaticContact ND1-CD1 3.81Å; H29-F196 AromaticContact ND1-CE1 3.9Å; P192-F196 PolarHBondContact O-N 2.94Å; I193-F196 PolarHBondContact O-N 3.47Å; I193-F196 VanDerWaalsContact O-N 3.13Å; F196-G231 WeakPolarHBondContact CA-O 3.48Å; F196-R234 HydrophobicContact CD2-CB 3.84Å; F196-R234 HydrophobicContact CE2-CB 3.95Å; F196-K235 VanDerWaalsContact CD1-CE 3.44Å; F196-K235 HydrophobicContact CD2-CB 3.58Å; F196-K235 HydrophobicContact CE1-CD 4.3Å; F196-K235 HydrophobicContact CE2-CB 3.78Å; F196-K235 HydrophobicContact CE2-CD 4.25Å; F196-K235 HydrophobicContact CG-CB 4.11Å; F196-K235 HydrophobicContact CZ-CB 4.45Å; F196-K235 HydrophobicContact CZ-CD 4.08Å; F196-K235 VanDerWaalsContact CZ-CE 3.46Å; F196-K235 WeakPolarHBondContact O-CE 3.42Å; F196-M238 HydrophobicContact CE2-SD 3.65Å; F196-M238 HydrophobicContact CZ-CE 4.41Å; F196-M238 HydrophobicContact CZ-SD 3.6Å
197	D	97.8	Very high	97.9	Very high	6 Å²	6	19.7 Å²	19.7	3%	0.032	10%	0.099	C	C	.	.	I	π-helix	trans	-77.2	-35.5	-175.8	-77.7	-8.7	0	0	0	113.3	H29 I30 R87 I193 E201	H29-D197 WeakPolarHBondContact CA-OD2 3.29Å; H29-D197 IonicContact CE1-OD1 3.75Å; H29-D197 IonicContact CG-OD1 3.34Å; H29-D197 IonicContact ND1-OD1 3.19Å; H29-D197 PolarHBondContact ND1-OD1 3.35Å; H29-D197 IonicContact ND1-OD2 3.42Å; I30-D197 HydrophobicContact CG1-CB 4.45Å; I30-D197 PolarHBondContact N-OD2 2.88Å; I30-D197 WeakPolarHBondContact O-CB 3.47Å; R87-D197 IonicContact CZ-OD2 3.64Å; R87-D197 IonicContact NH1-OD2 2.74Å; R87-D197 PolarHBondContact NH1-OD2 2.79Å; R87-D197 IonicContact NH2-OD2 3.72Å; R87-D197 PolarHBondContact NH2-OD2 2.75Å; I193-D197 WeakPolarHBondContact CG2-OD2 3.41Å; I193-D197 WeakPolarHBondContact O-CB 3.39Å; I193-D197 PolarHBondContact O-N 2.86Å; D197-E201 WeakPolarHBondContact O-CB 3.28Å; D197-E201 VanDerWaalsContact O-CG 3.25Å; D197-E201 WeakPolarHBondContact O-CG 3.31Å
198	E	98	Very high	98	Very high	4 Å²	4	20.6 Å²	20.6	2%	0.019	10%	0.104	C	C	.	.	I	π-helix	trans	-113.1	-64.8	-171.9	-55.8	176.3	-145.2	0	0	111.8	R83 A194 A200 E201 E202	R83-E198 IonicContact NH1-OE2 2.76Å; A194-E198 VanDerWaalsContact O-CB 3.29Å; A194-E198 WeakPolarHBondContact O-CB 3.45Å; A194-E198 PolarHBondContact O-N 3.32Å; A194-E198 VanDerWaalsContact O-N 3.09Å; E198-A200 VanDerWaalsContact C-N 3.35Å; E198-A200 PolarHBondContact O-N 3.19Å; E198-E201 PolarHBondContact O-N 2.97Å; E198-E202 WeakPolarHBondContact O-CB 3.23Å; E198-E202 VanDerWaalsContact O-CG 3.28Å; E198-E202 WeakPolarHBondContact O-CG 3.44Å; E198-E202 PolarHBondContact O-N 3.31Å
199	T	98.5	Very high	98	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.113	C	C	.	.	I	π-helix	trans	-61.2	-42.9	-170.7	-45.8	0	0	0	0	112.3	R83 H195 I203 L232	R83-T199 WeakPolarHBondContact CD-OG1 3.36Å; R83-T199 PolarHBondContact NE-OG1 3.31Å; H195-T199 PolarHBondContact ND1-OG1 3.39Å; H195-T199 PolarHBondContact O-N 3.42Å; T199-I203 HydrophobicContact CG2-CD1 4.29Å; T199-I203 VanDerWaalsContact O-CG1 3.31Å; T199-I203 WeakPolarHBondContact O-CG1 3.47Å; T199-I203 PolarHBondContact O-N 3.19Å; T199-I203 VanDerWaalsContact O-N 3.08Å; T199-L232 HydrophobicContact CG2-CD2 3.89Å
200	A	98.4	Very high	97.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-69.6	-42.7	178.7	0	0	0	0	0	112.2	H195 E198 E202 I203 I204 L232 K235 I236	H195-A200 WeakPolarHBondContact O-CB 2.9Å; H195-A200 PolarHBondContact O-N 3.34Å; E198-A200 VanDerWaalsContact C-N 3.35Å; E198-A200 PolarHBondContact O-N 3.19Å; A200-E202 VanDerWaalsContact C-N 3.31Å; A200-E202 PolarHBondContact O-N 2.97Å; A200-I203 PolarHBondContact O-N 3.2Å; A200-I204 WeakPolarHBondContact O-CB 3.39Å; A200-I204 WeakPolarHBondContact O-CD1 3.41Å; A200-I204 VanDerWaalsContact O-CG1 3.32Å; A200-I204 WeakPolarHBondContact O-CG1 3.38Å; A200-I204 PolarHBondContact O-N 2.89Å; A200-L232 HydrophobicContact CB-CD2 3.79Å; A200-K235 HydrophobicContact CB-CB 3.46Å; A200-K235 VanDerWaalsContact CB-CB 3.46Å; A200-K235 HydrophobicContact CB-CG 3.49Å; A200-K235 VanDerWaalsContact CB-CG 3.49Å; A200-I236 HydrophobicContact CB-CD1 4.46Å
201	E	97.8	Very high	97.7	Very high	50 Å²	50	34.6 Å²	34.6	23%	0.234	17%	0.168	C	C	.	.	H	α-helix	trans	-63.9	-36.7	176.6	-69.8	-68.3	169.5	0	0	111.6	I32 D197 E198 R205 K235	I32-E201 HydrophobicContact CB-CB 4.43Å; D197-E201 WeakPolarHBondContact O-CB 3.28Å; D197-E201 VanDerWaalsContact O-CG 3.25Å; D197-E201 WeakPolarHBondContact O-CG 3.31Å; E198-E201 PolarHBondContact O-N 2.97Å; E201-R205 WeakPolarHBondContact O-CB 3.32Å; E201-R205 PolarHBondContact O-N 3.3Å; E201-K235 VanDerWaalsContact OE1-CD 3.29Å; E201-K235 WeakPolarHBondContact OE1-CD 3.31Å; E201-K235 WeakPolarHBondContact OE1-CE 3.46Å; E201-K235 IonicContact OE1-NZ 3.38Å; E201-K235 PolarHBondContact OE1-NZ 3.38Å
202	E	98.3	Very high	97.6	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.5	-47.7	171.2	-73.2	169.4	-154.6	0	0	111.6	I32 N48 T49 K70 R83 E198 A200 R205 D206	I32-E202 HydrophobicContact CD1-CB 4.3Å; I32-E202 HydrophobicContact CD1-CG 3.38Å; I32-E202 HydrophobicContact CG1-CG 4.2Å; N48-E202 VanDerWaalsContact N-CD 3.28Å; N48-E202 PolarHBondContact N-OE1 3.27Å; N48-E202 PolarHBondContact N-OE2 3.3Å; T49-E202 PolarHBondContact N-OE2 2.95Å; K70-E202 WeakPolarHBondContact CE-OE2 3.35Å; K70-E202 IonicContact NZ-OE2 2.73Å; K70-E202 PolarHBondContact NZ-OE2 2.82Å; R83-E202 IonicContact CZ-OE1 3.79Å; R83-E202 IonicContact CZ-OE2 2.92Å; R83-E202 IonicContact NH1-OE1 3.73Å; R83-E202 PolarHBondContact NH1-OE1 3.33Å; R83-E202 IonicContact NH1-OE2 2.71Å; R83-E202 VanDerWaalsContact NH2-CD 3.32Å; R83-E202 IonicContact NH2-OE1 3.86Å; R83-E202 PolarHBondContact NH2-OE1 3.46Å; R83-E202 IonicContact NH2-OE2 3.49Å; R83-E202 PolarHBondContact NH2-OE2 2.83Å; E198-E202 WeakPolarHBondContact O-CB 3.23Å; E198-E202 VanDerWaalsContact O-CG 3.28Å; E198-E202 WeakPolarHBondContact O-CG 3.44Å; E198-E202 PolarHBondContact O-N 3.31Å; A200-E202 VanDerWaalsContact C-N 3.31Å; A200-E202 PolarHBondContact O-N 2.97Å; E202-R205 PolarHBondContact O-N 2.75Å; E202-D206 WeakPolarHBondContact O-CB 3.36Å; E202-D206 PolarHBondContact O-N 3.1Å
203	I	98.6	Very high	97.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.8	-45	178.8	-69.9	166.6	0	0	0	110.5	K70 T199 A200 D206 C207 L216 L219 L232 V338 I340	K70-I203 HydrophobicContact CD-CG1 4.16Å; K70-I203 HydrophobicContact CG-CD1 4.37Å; K70-I203 HydrophobicContact CG-CG1 4.39Å; T199-I203 HydrophobicContact CG2-CD1 4.29Å; T199-I203 VanDerWaalsContact O-CG1 3.31Å; T199-I203 WeakPolarHBondContact O-CG1 3.47Å; T199-I203 PolarHBondContact O-N 3.19Å; T199-I203 VanDerWaalsContact O-N 3.08Å; A200-I203 PolarHBondContact O-N 3.2Å; I203-D206 PolarHBondContact O-N 2.94Å; I203-C207 WeakPolarHBondContact O-CB 3.43Å; I203-C207 PolarHBondContact O-N 3.26Å; I203-C207 PolarHBondContact O-SG 2.77Å; I203-L216 HydrophobicContact CG2-CD2 3.98Å; I203-L219 HydrophobicContact CD1-CD1 3.89Å; I203-L232 HydrophobicContact CD1-CD2 3.9Å; I203-V338 HydrophobicContact CD1-CG1 4.23Å; I203-V338 HydrophobicContact CG1-CG1 4.46Å; I203-V338 HydrophobicContact CG2-CG1 4.42Å; I203-V338 HydrophobicContact CG2-CG2 4.37Å; I203-I340 HydrophobicContact CD1-CD1 3.88Å
204	I	98.4	Very high	97.5	Very high	13 Å²	13	44 Å²	44	7%	0.067	23%	0.225	C	C	.	.	H	α-helix	trans	-58.6	-51.3	176.4	-73.5	159	0	0	0	110.2	A200 D206 C207 T208 I214 K235 I236 K239	A200-I204 WeakPolarHBondContact O-CB 3.39Å; A200-I204 WeakPolarHBondContact O-CD1 3.41Å; A200-I204 VanDerWaalsContact O-CG1 3.32Å; A200-I204 WeakPolarHBondContact O-CG1 3.38Å; A200-I204 PolarHBondContact O-N 2.89Å; I204-D206 VanDerWaalsContact C-N 3.33Å; I204-D206 PolarHBondContact O-N 3.44Å; I204-C207 CarbonylContact O-C 3.55Å; I204-C207 PolarHBondContact O-N 2.87Å; I204-T208 PolarHBondContact O-N 3.03Å; I204-T208 PolarHBondContact O-OG1 3.41Å; I204-I214 HydrophobicContact CG2-CD1 3.64Å; I204-I214 HydrophobicContact CG2-CG1 4.12Å; I204-I214 HydrophobicContact CG2-CG2 4.36Å; I204-K235 HydrophobicContact CD1-CD 4.42Å; I204-K235 HydrophobicContact CD1-CG 3.77Å; I204-I236 HydrophobicContact CD1-CD1 3.91Å; I204-I236 HydrophobicContact CG1-CD1 3.64Å; I204-K239 HydrophobicContact CD1-CB 4.2Å; I204-K239 HydrophobicContact CD1-CG 3.87Å
205	R	97.3	Very high	97.5	Very high	112 Å²	112	46.6 Å²	46.6	42%	0.423	24%	0.236	S	C	.	.	H	α-helix	trans	-54.8	-49.7	177.8	179.3	-162.2	69.4	-159.4	-4.3	111.1	N48 E201 E202 C207 T208	N48-R205 PolarHBondContact OD1-NH1 2.79Å; E201-R205 WeakPolarHBondContact O-CB 3.32Å; E201-R205 PolarHBondContact O-N 3.3Å; E202-R205 PolarHBondContact O-N 2.75Å; R205-C207 VanDerWaalsContact C-N 3.29Å; R205-C207 PolarHBondContact O-N 3.07Å; R205-T208 PolarHBondContact O-N 3.24Å
206	D	98	Very high	97.5	Very high	60 Å²	60	47 Å²	47	32%	0.321	24%	0.238	S	C	.	.	H	α-helix	trans	-74.6	-21.7	-174.5	-61.3	-18.3	0	0	0	112.4	L51 K70 E202 I203 I204	L51-D206 HydrophobicContact CD1-CB 3.6Å; L51-D206 HydrophobicContact CG-CB 4.3Å; K70-D206 IonicContact NZ-OD2 2.74Å; E202-D206 WeakPolarHBondContact O-CB 3.36Å; E202-D206 PolarHBondContact O-N 3.1Å; I203-D206 PolarHBondContact O-N 2.94Å; I204-D206 VanDerWaalsContact C-N 3.33Å; I204-D206 PolarHBondContact O-N 3.44Å
207	C	98.2	Very high	97.5	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-96	-0	175.3	-66.1	0	0	0	0	113.8	I203 I204 R205 I214 K215 R336	I203-C207 WeakPolarHBondContact O-CB 3.43Å; I203-C207 PolarHBondContact O-N 3.26Å; I203-C207 PolarHBondContact O-SG 2.77Å; I204-C207 CarbonylContact O-C 3.55Å; I204-C207 PolarHBondContact O-N 2.87Å; R205-C207 VanDerWaalsContact C-N 3.29Å; R205-C207 PolarHBondContact O-N 3.07Å; C207-I214 HydrophobicContact CB-CG2 4.11Å; C207-K215 WeakPolarHBondContact CB-O 3.4Å; C207-K215 PolarHBondContact O-N 3.01Å; C207-R336 PolarHBondContact O-NH1 3.08Å
208	T	98.2	Very high	97.6	Very high	55 Å²	55	49 Å²	49	34%	0.337	25%	0.25	S	C	.	.	B	Isolated β-bridge	trans	-80.4	121.7	175.9	-59.7	0	0	0	0	109.6	I204 R205 Q213	I204-T208 PolarHBondContact O-N 3.03Å; I204-T208 PolarHBondContact O-OG1 3.41Å; R205-T208 PolarHBondContact O-N 3.24Å; T208-Q213 WeakPolarHBondContact CA-O 3.45Å
209	E	96	Very high	97.6	Very high	73 Å²	73	48.9 Å²	48.9	34%	0.341	25%	0.249	S	C	.	.			trans	-76.9	167.5	176.6	-62.1	-173.3	140.7	0	0	111.5	N211 G212 Q213 K215	E209-N211 WeakPolarHBondContact CB-OD1 3.16Å; E209-N211 PolarHBondContact O-N 3.37Å; E209-N211 VanDerWaalsContact O-N 3.13Å; E209-G212 WeakPolarHBondContact O-CA 3.36Å; E209-G212 PolarHBondContact O-N 3.12Å; E209-Q213 PolarHBondContact N-O 2.84Å; E209-K215 HydrophobicContact CG-CB 4.17Å; E209-K215 VanDerWaalsContact OE1-CD 3.27Å; E209-K215 WeakPolarHBondContact OE1-CD 3.37Å
210	E	94.9	Very high	97.6	Very high	215 Å²	215	48.9 Å²	48.9	100%	1.005	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-26.4	-178.9	-63.7	-177	169.2	0	0	113.5	G212	E210-G212 PolarHBondContact O-N 3.39Å
211	N	95.3	Very high	97.7	Very high	99 Å²	99	48.9 Å²	48.9	53%	0.529	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-1.4	175.1	66.8	7.8	0	0	0	113.4	E209 Q213	E209-N211 WeakPolarHBondContact CB-OD1 3.16Å; E209-N211 PolarHBondContact O-N 3.37Å; E209-N211 VanDerWaalsContact O-N 3.13Å; N211-Q213 VanDerWaalsContact C-N 3.33Å; N211-Q213 PolarHBondContact ND2-OE1 2.95Å; N211-Q213 VanDerWaalsContact ND2-OE1 3.14Å; N211-Q213 VanDerWaalsContact OD1-CB 3.29Å; N211-Q213 WeakPolarHBondContact OD1-CB 3.25Å; N211-Q213 PolarHBondContact OD1-N 3.22Å
212	G	95.9	Very high	97.7	Very high	51 Å²	51	47.1 Å²	47.1	53%	0.526	24%	0.242	S	C	.	.	S	Bend	trans	82.7	0.3	-178.6	0	0	0	0	0	115.1	E209 E210	E209-G212 WeakPolarHBondContact O-CA 3.36Å; E209-G212 PolarHBondContact O-N 3.12Å; E210-G212 PolarHBondContact O-N 3.39Å
213	Q	96	Very high	97.7	Very high	129 Å²	129	47.2 Å²	47.2	60%	0.603	24%	0.243	S	C	*	.			trans	-80.9	136.1	175.6	-62.2	-173.9	-48.6	0	0	110.4	T208 E209 N211 K215	T208-Q213 WeakPolarHBondContact CA-O 3.45Å; E209-Q213 PolarHBondContact N-O 2.84Å; N211-Q213 VanDerWaalsContact C-N 3.33Å; N211-Q213 PolarHBondContact ND2-OE1 2.95Å; N211-Q213 VanDerWaalsContact ND2-OE1 3.14Å; N211-Q213 VanDerWaalsContact OD1-CB 3.29Å; N211-Q213 WeakPolarHBondContact OD1-CB 3.25Å; N211-Q213 PolarHBondContact OD1-N 3.22Å; Q213-K215 PolarHBondContact O-N 3.49Å
214	I	97.6	Very high	97.4	Very high	48 Å²	48	47.5 Å²	47.5	25%	0.246	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-88	112.2	175.6	-44.8	160.8	0	0	0	108.1	I204 C207 K239 I240	I204-I214 HydrophobicContact CG2-CD1 3.64Å; I204-I214 HydrophobicContact CG2-CG1 4.12Å; I204-I214 HydrophobicContact CG2-CG2 4.36Å; C207-I214 HydrophobicContact CB-CG2 4.11Å; I214-K239 HydrophobicContact CD1-CB 4.15Å; I214-I240 HydrophobicContact CB-CD1 3.81Å; I214-I240 HydrophobicContact CB-CG1 4.23Å; I214-I240 HydrophobicContact CD1-CD1 4.31Å; I214-I240 HydrophobicContact CD1-CG1 4.1Å; I214-I240 HydrophobicContact CG2-CD1 3.39Å; I214-I240 HydrophobicContact CG2-CG1 4.3Å
215	K	97.6	Very high	97.3	Very high	56 Å²	56	47 Å²	47	24%	0.243	24%	0.243	C	C	.	.			trans	-93.7	100.6	177.1	-178.6	173.3	-178.2	179.6	0	109.1	C207 E209 Q213 N334 R336	C207-K215 WeakPolarHBondContact CB-O 3.4Å; C207-K215 PolarHBondContact O-N 3.01Å; E209-K215 HydrophobicContact CG-CB 4.17Å; E209-K215 VanDerWaalsContact OE1-CD 3.27Å; E209-K215 WeakPolarHBondContact OE1-CD 3.37Å; Q213-K215 PolarHBondContact O-N 3.49Å; K215-N334 WeakPolarHBondContact CE-O 3.44Å; K215-R336 HydrophobicContact CG-CB 4.11Å; K215-R336 VanDerWaalsContact O-CD 3.25Å; K215-R336 WeakPolarHBondContact O-CD 3.48Å; K215-R336 PolarHBondContact O-NH1 3.17Å
216	L	98.6	Very high	97.2	Very high	7 Å²	7	41.8 Å²	41.8	4%	0.037	23%	0.225	C	C	.	.			trans	-155.8	113.1	175	-179.2	66.3	0	0	0	109	I203 I236 I240 V338	I203-L216 HydrophobicContact CG2-CD2 3.98Å; L216-I236 HydrophobicContact CD2-CD1 4Å; L216-I236 HydrophobicContact CD2-CG2 4.18Å; L216-I240 HydrophobicContact CB-CD1 3.87Å; L216-I240 HydrophobicContact CD2-CD1 4.19Å; L216-V338 HydrophobicContact CD1-CB 3.9Å; L216-V338 HydrophobicContact CD1-CG2 3.5Å
217	D	98.6	Very high	97.2	Very high	58 Å²	58	39 Å²	39	31%	0.31	21%	0.209	S	C	.	.	S	Bend	trans	-99	-31.3	-176.1	-59.6	-100.6	0	0	0	111.8	L244 S335 R336	D217-L244 PolarHBondContact O-N 3.39Å; D217-S335 VanDerWaalsContact OD2-CA 3.22Å; D217-S335 WeakPolarHBondContact OD2-CA 3.27Å; D217-R336 PolarHBondContact N-O 3.49Å; D217-R336 PolarHBondContact OD2-N 2.92Å
218	M	98.8	Very high	97.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	138.3	178.8	-169.6	170.8	71.9	0	0	112.3	V220 L244 V246 T325 I326 L331 R336 V337 V338	M218-V220 HydrophobicContact CE-CG2 3.75Å; M218-V220 HydrophobicContact CG-CG2 4.05Å; M218-V220 HydrophobicContact SD-CG2 4.3Å; M218-L244 CarbonylContact C-O 3.52Å; M218-L244 VanDerWaalsContact CA-O 3.24Å; M218-L244 WeakPolarHBondContact CA-O 3.43Å; M218-L244 HydrophobicContact CB-CB 4.22Å; M218-L244 HydrophobicContact CG-CB 3.93Å; M218-V246 HydrophobicContact CG-CG2 3.8Å; M218-V246 HydrophobicContact SD-CG2 3.55Å; M218-V246 VanDerWaalsContact SD-CG2 3.55Å; M218-T325 HydrophobicContact CE-CG2 4.45Å; M218-T325 HydrophobicContact SD-CG2 3.72Å; M218-I326 HydrophobicContact CE-CD1 4.28Å; M218-I326 HydrophobicContact CE-CG1 3.6Å; M218-L331 HydrophobicContact CB-CD1 4.37Å; M218-L331 HydrophobicContact CE-CD1 4.23Å; M218-L331 HydrophobicContact SD-CD1 4.26Å; M218-R336 PolarHBondContact N-O 3.34Å; M218-V337 HydrophobicContact CB-CG1 4.19Å; M218-V337 HydrophobicContact CB-CG2 4.09Å; M218-V337 HydrophobicContact CE-CB 4.33Å; M218-V337 HydrophobicContact CE-CG1 3.44Å; M218-V337 VanDerWaalsContact CE-CG1 3.44Å; M218-V337 HydrophobicContact CE-CG2 3.91Å; M218-V337 HydrophobicContact CG-CG1 4.48Å; M218-V337 CarbonylContact O-C 3.59Å; M218-V337 VanDerWaalsContact O-CA 3.31Å; M218-V337 WeakPolarHBondContact O-CA 2.9Å; M218-V338 PolarHBondContact O-N 2.98Å
219	L	98.9	Very high	97.2	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	131.6	170	-176.2	148.7	0	0	0	109.7	I203 L232 I236 L244 I245 V246 V338	I203-L219 HydrophobicContact CD1-CD1 3.89Å; L219-L232 HydrophobicContact CD1-CB 4.35Å; L219-L232 HydrophobicContact CD1-CD1 4.2Å; L219-L232 HydrophobicContact CD1-CD2 4.44Å; L219-L232 HydrophobicContact CD2-CB 4.2Å; L219-L232 HydrophobicContact CD2-CD1 3.87Å; L219-I236 HydrophobicContact CD1-CG1 4.21Å; L219-L244 PolarHBondContact N-O 3.41Å; L219-I245 HydrophobicContact CB-CD1 3.96Å; L219-I245 HydrophobicContact CD2-CD1 4.49Å; L219-I245 WeakPolarHBondContact O-CA 3.32Å; L219-V246 PolarHBondContact O-N 3.43Å; L219-V338 CarbonylContact C-O 3.57Å; L219-V338 VanDerWaalsContact CA-O 3.31Å; L219-V338 WeakPolarHBondContact CA-O 3.36Å
220	V	98.9	Very high	97.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	129.7	-177.1	-170.4	0	0	0	0	110	M218 V246 V248 A318 A322 V337 V338 V339 I340	M218-V220 HydrophobicContact CE-CG2 3.75Å; M218-V220 HydrophobicContact CG-CG2 4.05Å; M218-V220 HydrophobicContact SD-CG2 4.3Å; V220-V246 WeakPolarHBondContact CA-O 3.48Å; V220-V246 HydrophobicContact CB-CB 4.38Å; V220-V246 HydrophobicContact CG1-CB 4.12Å; V220-V246 HydrophobicContact CG1-CG1 4.26Å; V220-V246 HydrophobicContact CG2-CB 4.02Å; V220-V246 HydrophobicContact CG2-CG2 4.27Å; V220-V248 HydrophobicContact CG1-CG2 3.63Å; V220-A318 WeakPolarHBondContact CG1-O 3.43Å; V220-A322 HydrophobicContact CB-CB 4.11Å; V220-A322 HydrophobicContact CG1-CB 4.09Å; V220-A322 HydrophobicContact CG2-CB 3.74Å; V220-V337 HydrophobicContact CG2-CG1 4.15Å; V220-V338 PolarHBondContact N-O 3.07Å; V220-V339 HydrophobicContact CB-CG1 4.31Å; V220-V339 HydrophobicContact CB-CG2 4.25Å; V220-V339 HydrophobicContact CG2-CG2 4.47Å; V220-V339 WeakPolarHBondContact O-CA 3.47Å; V220-I340 PolarHBondContact O-N 3.46Å
221	A	98.8	Very high	97.4	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.008	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	135.6	176	0	0	0	0	0	111.2	I229 V246 V248 I340	A221-I229 HydrophobicContact CB-CB 4.33Å; A221-I229 HydrophobicContact CB-CD1 4.4Å; A221-I229 HydrophobicContact CB-CG1 4.48Å; A221-V246 PolarHBondContact N-O 3.04Å; A221-V248 PolarHBondContact O-N 3.05Å; A221-I340 HydrophobicContact CB-CB 4.24Å; A221-I340 HydrophobicContact CB-CG1 3.84Å
222	S	98.4	Very high	97.6	Very high	13 Å²	13	18.7 Å²	18.7	9%	0.091	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	136.5	168.4	66.5	0	0	0	0	111	V248 I271	S222-V248 CarbonylContact C-O 3.42Å; S222-V248 WeakPolarHBondContact CA-O 3.31Å; S222-I271 WeakPolarHBondContact OG-CG2 3.36Å
223	V	97.7	Very high	97.7	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.006	8%	0.084	C	C	.	.			trans	-105.5	115.4	-168.7	-171	0	0	0	0	110.5	I229 V248 L255 I271 G272 L280 W288	V223-I229 HydrophobicContact CG1-CG2 4.16Å; V223-I229 HydrophobicContact CG2-CB 4.4Å; V223-I229 HydrophobicContact CG2-CD1 3.93Å; V223-I229 HydrophobicContact CG2-CG2 3.92Å; V223-V248 PolarHBondContact N-O 3.37Å; V223-L255 HydrophobicContact CB-CD1 4.44Å; V223-L255 HydrophobicContact CG1-CD1 3.92Å; V223-I271 CarbonylContact O-C 3.28Å; V223-I271 WeakPolarHBondContact O-CA 3.35Å; V223-G272 PolarHBondContact O-N 3.43Å; V223-L280 HydrophobicContact CG1-CD1 3.91Å; V223-W288 HydrophobicContact CB-CH2 4.23Å; V223-W288 HydrophobicContact CB-CZ3 3.93Å; V223-W288 HydrophobicContact CG1-CH2 4.1Å; V223-W288 HydrophobicContact CG1-CZ3 4.31Å; V223-W288 HydrophobicContact CG2-CH2 3.89Å; V223-W288 HydrophobicContact CG2-CZ3 3.52Å
224	G	94.1	Very high	97.7	Very high	6 Å²	6	12.6 Å²	12.6	6%	0.062	6%	0.064	C	C	.	.	S	Bend	trans	-105.2	-102.1	164.8	0	0	0	0	0	109.6	G226 L255 Y273	G224-G226 PolarHBondContact O-N 3Å; G224-L255 WeakPolarHBondContact O-CD1 3.44Å; G224-Y273 WeakPolarHBondContact O-CD2 3.44Å
225	T	94.8	Very high	97.7	Very high	3 Å²	3	11.2 Å²	11.2	2%	0.018	6%	0.057	C	C	.	.	S	Bend	trans	-62.9	-14	177.1	67.8	0	0	0	0	113.8	Q185 Y186 N191 G227 P277 V279	Q185-T225 HydrophobicContact CG-CG2 3.78Å; Q185-T225 VanDerWaalsContact OE1-CG2 3.24Å; Y186-T225 HydrophobicContact CD1-CG2 4.09Å; Y186-T225 HydrophobicContact CE1-CG2 3.93Å; N191-T225 PolarHBondContact ND2-OG1 2.93Å; N191-T225 VanDerWaalsContact ND2-OG1 3.1Å; T225-G227 VanDerWaalsContact C-N 3.28Å; T225-G227 PolarHBondContact O-N 3.23Å; T225-G227 PolarHBondContact OG1-N 2.85Å; T225-P277 VanDerWaalsContact O-CB 3.24Å; T225-P277 WeakPolarHBondContact O-CB 3.17Å; T225-V279 WeakPolarHBondContact O-CG2 3.44Å
226	G	96.2	Very high	97.7	Very high	3 Å²	3	8.6 Å²	8.6	3%	0.031	5%	0.045	C	C	.	.	S	Bend	trans	85	-18.7	-175.5	0	0	0	0	0	115.9	G224 T228 I229 A230	G224-G226 PolarHBondContact O-N 3Å; G226-T228 VanDerWaalsContact C-N 3.35Å; G226-T228 PolarHBondContact O-N 3.39Å; G226-I229 VanDerWaalsContact O-CG2 3.3Å; G226-I229 WeakPolarHBondContact O-CG2 3.34Å; G226-I229 PolarHBondContact O-N 3.22Å; G226-A230 VanDerWaalsContact O-CB 3.23Å; G226-A230 WeakPolarHBondContact O-CB 3.48Å; G226-A230 PolarHBondContact O-N 2.84Å
227	G	97.8	Very high	97.6	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-59.3	-40.1	-175.3	0	0	0	0	0	114.3	N191 P192 T225 G231	N191-G227 WeakPolarHBondContact OD1-CA 3.13Å; P192-G227 VanDerWaalsContact CA-O 3.3Å; P192-G227 WeakPolarHBondContact CA-O 3.38Å; T225-G227 VanDerWaalsContact C-N 3.28Å; T225-G227 PolarHBondContact O-N 3.23Å; T225-G227 PolarHBondContact OG1-N 2.85Å; G227-G231 PolarHBondContact O-N 3.3Å
228	T	98.6	Very high	97.4	Very high	11 Å²	11	9.9 Å²	9.9	7%	0.067	5%	0.049	C	C	.	.	H	α-helix	trans	-60.1	-54.2	175.8	-52.2	0	0	0	0	111.8	V80 H195 G226 A230 L232	V80-T228 HydrophobicContact CG2-CG2 4.16Å; H195-T228 WeakPolarHBondContact CD2-CA 3.44Å; H195-T228 PolarHBondContact NE2-OG1 3.25Å; H195-T228 VanDerWaalsContact NE2-OG1 3.09Å; G226-T228 VanDerWaalsContact C-N 3.35Å; G226-T228 PolarHBondContact O-N 3.39Å; T228-A230 PolarHBondContact O-N 2.89Å; T228-L232 HydrophobicContact CG2-CD1 3.81Å; T228-L232 WeakPolarHBondContact O-CB 3.49Å; T228-L232 WeakPolarHBondContact O-CG 3.45Å; T228-L232 PolarHBondContact O-N 3.19Å
229	I	98.4	Very high	97.2	Very high	2 Å²	2	15.6 Å²	15.6	1%	0.01	7%	0.074	C	C	.	.	H	α-helix	trans	-69	-34.8	-178.2	-165.5	162.2	0	0	0	112.2	A221 V223 G226 S233 I245 L280 I285	A221-I229 HydrophobicContact CB-CB 4.33Å; A221-I229 HydrophobicContact CB-CD1 4.4Å; A221-I229 HydrophobicContact CB-CG1 4.48Å; V223-I229 HydrophobicContact CG1-CG2 4.16Å; V223-I229 HydrophobicContact CG2-CB 4.4Å; V223-I229 HydrophobicContact CG2-CD1 3.93Å; V223-I229 HydrophobicContact CG2-CG2 3.92Å; G226-I229 VanDerWaalsContact O-CG2 3.3Å; G226-I229 WeakPolarHBondContact O-CG2 3.34Å; G226-I229 PolarHBondContact O-N 3.22Å; I229-S233 WeakPolarHBondContact O-CB 3.48Å; I229-S233 PolarHBondContact O-N 2.8Å; I229-S233 PolarHBondContact O-OG 2.84Å; I229-S233 VanDerWaalsContact O-OG 3.06Å; I229-I245 HydrophobicContact CD1-CG2 4.01Å; I229-I245 HydrophobicContact CG1-CG2 3.87Å; I229-L280 HydrophobicContact CG2-CD1 4.05Å; I229-I285 HydrophobicContact CD1-CD1 3.78Å; I229-I285 HydrophobicContact CD1-CG1 3.83Å; I229-I285 HydrophobicContact CG1-CD1 4.15Å; I229-I285 HydrophobicContact CG1-CG1 4.05Å; I229-I285 HydrophobicContact CG2-CD1 3.99Å
230	A	97.7	Very high	97.1	Very high	2 Å²	2	16.7 Å²	16.7	2%	0.017	8%	0.08	C	C	.	.	H	α-helix	trans	-67	-43.8	178	0	0	0	0	0	112.5	P192 G226 T228 S233 R234 V279 D281	P192-A230 HydrophobicContact CB-CB 4.15Å; G226-A230 VanDerWaalsContact O-CB 3.23Å; G226-A230 WeakPolarHBondContact O-CB 3.48Å; G226-A230 PolarHBondContact O-N 2.84Å; T228-A230 PolarHBondContact O-N 2.89Å; A230-S233 PolarHBondContact O-OG 3.01Å; A230-S233 VanDerWaalsContact O-OG 3.12Å; A230-R234 WeakPolarHBondContact O-CB 3.32Å; A230-R234 WeakPolarHBondContact O-CG 3.42Å; A230-R234 PolarHBondContact O-N 2.77Å; A230-V279 WeakPolarHBondContact CB-O 3.49Å; A230-D281 HydrophobicContact CB-CB 3.92Å
231	G	98	Very high	97	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.01	11%	0.106	C	C	.	.	H	α-helix	trans	-66.1	-44.3	176.1	0	0	0	0	0	112.4	P192 F196 G227 K235	P192-G231 VanDerWaalsContact O-CA 3.25Å; P192-G231 WeakPolarHBondContact O-CA 3.47Å; F196-G231 WeakPolarHBondContact CA-O 3.48Å; G227-G231 PolarHBondContact O-N 3.3Å; G231-K235 PolarHBondContact O-N 2.68Å
232	L	98.6	Very high	96.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-63.1	-51.8	176.4	-68.2	174.5	0	0	0	111.4	T199 A200 I203 L219 T228 R234 K235 I236 I340	T199-L232 HydrophobicContact CG2-CD2 3.89Å; A200-L232 HydrophobicContact CB-CD2 3.79Å; I203-L232 HydrophobicContact CD1-CD2 3.9Å; L219-L232 HydrophobicContact CD1-CB 4.35Å; L219-L232 HydrophobicContact CD1-CD1 4.2Å; L219-L232 HydrophobicContact CD1-CD2 4.44Å; L219-L232 HydrophobicContact CD2-CB 4.2Å; L219-L232 HydrophobicContact CD2-CD1 3.87Å; T228-L232 HydrophobicContact CG2-CD1 3.81Å; T228-L232 WeakPolarHBondContact O-CB 3.49Å; T228-L232 WeakPolarHBondContact O-CG 3.45Å; T228-L232 PolarHBondContact O-N 3.19Å; L232-R234 VanDerWaalsContact C-N 3.34Å; L232-R234 PolarHBondContact O-N 2.81Å; L232-K235 PolarHBondContact O-N 2.83Å; L232-I236 VanDerWaalsContact O-CB 3.27Å; L232-I236 WeakPolarHBondContact O-CB 3.46Å; L232-I236 WeakPolarHBondContact O-CG1 3.3Å; L232-I236 PolarHBondContact O-N 3.16Å; L232-I340 HydrophobicContact CD1-CD1 3.84Å; L232-I340 HydrophobicContact CD1-CG1 3.85Å
233	S	97.9	Very high	96.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-58.2	-46.5	-176.2	69.3	0	0	0	0	111.5	I229 A230 K237 G284	I229-S233 WeakPolarHBondContact O-CB 3.48Å; I229-S233 PolarHBondContact O-N 2.8Å; I229-S233 PolarHBondContact O-OG 2.84Å; I229-S233 VanDerWaalsContact O-OG 3.06Å; A230-S233 PolarHBondContact O-OG 3.01Å; A230-S233 VanDerWaalsContact O-OG 3.12Å; S233-K237 WeakPolarHBondContact O-CB 3.47Å; S233-K237 WeakPolarHBondContact O-CG 3.31Å; S233-K237 PolarHBondContact O-N 3.45Å; S233-G284 WeakPolarHBondContact CB-O 3.34Å
234	R	96.2	Very high	96.9	Very high	52 Å²	52	29.5 Å²	29.5	20%	0.196	15%	0.152	C	C	.	.	H	α-helix	trans	-60.1	-52.5	178.6	-73	-175.6	170.3	-151.5	-6.9	111.9	C14 L18 F196 A230 L232 M238 D281	C14-R234 PolarHBondContact SG-NH1 2.74Å; L18-R234 HydrophobicContact CD2-CB 3.94Å; L18-R234 HydrophobicContact CD2-CG 4.11Å; L18-R234 WeakPolarHBondContact CD2-O 3.23Å; F196-R234 HydrophobicContact CD2-CB 3.84Å; F196-R234 HydrophobicContact CE2-CB 3.95Å; A230-R234 WeakPolarHBondContact O-CB 3.32Å; A230-R234 WeakPolarHBondContact O-CG 3.42Å; A230-R234 PolarHBondContact O-N 2.77Å; L232-R234 VanDerWaalsContact C-N 3.34Å; L232-R234 PolarHBondContact O-N 2.81Å; R234-M238 VanDerWaalsContact O-CG 3.26Å; R234-M238 WeakPolarHBondContact O-CG 3.29Å; R234-M238 PolarHBondContact O-N 3.44Å; R234-M238 VanDerWaalsContact O-N 3.15Å; R234-D281 IonicContact CZ-OD2 3.91Å; R234-D281 IonicContact NE-OD2 2.77Å; R234-D281 PolarHBondContact NE-OD2 3.11Å; R234-D281 IonicContact NH2-OD2 2.67Å; R234-D281 PolarHBondContact NH2-OD2 3Å
235	K	96.5	Very high	97.1	Very high	20 Å²	20	29.2 Å²	29.2	9%	0.087	15%	0.149	C	C	.	.	H	α-helix	trans	-66.3	-45	-178.1	179.9	69.1	74.9	162.5	0	111.9	F196 A200 E201 I204 G231 L232 M238 K239	F196-K235 VanDerWaalsContact CD1-CE 3.44Å; F196-K235 HydrophobicContact CD2-CB 3.58Å; F196-K235 HydrophobicContact CE1-CD 4.3Å; F196-K235 HydrophobicContact CE2-CB 3.78Å; F196-K235 HydrophobicContact CE2-CD 4.25Å; F196-K235 HydrophobicContact CG-CB 4.11Å; F196-K235 HydrophobicContact CZ-CB 4.45Å; F196-K235 HydrophobicContact CZ-CD 4.08Å; F196-K235 VanDerWaalsContact CZ-CE 3.46Å; F196-K235 WeakPolarHBondContact O-CE 3.42Å; A200-K235 HydrophobicContact CB-CB 3.46Å; A200-K235 VanDerWaalsContact CB-CB 3.46Å; A200-K235 HydrophobicContact CB-CG 3.49Å; A200-K235 VanDerWaalsContact CB-CG 3.49Å; E201-K235 VanDerWaalsContact OE1-CD 3.29Å; E201-K235 WeakPolarHBondContact OE1-CD 3.31Å; E201-K235 WeakPolarHBondContact OE1-CE 3.46Å; E201-K235 IonicContact OE1-NZ 3.38Å; E201-K235 PolarHBondContact OE1-NZ 3.38Å; I204-K235 HydrophobicContact CD1-CD 4.42Å; I204-K235 HydrophobicContact CD1-CG 3.77Å; G231-K235 PolarHBondContact O-N 2.68Å; L232-K235 PolarHBondContact O-N 2.83Å; K235-M238 WeakPolarHBondContact O-CB 3.25Å; K235-M238 PolarHBondContact O-N 3.28Å; K235-K239 PolarHBondContact O-N 2.96Å
236	I	98	Very high	97.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-64	-45.4	-178.9	-64.8	-58.8	0	0	0	110.1	A200 I204 L216 L219 L232 M238 K239 I240 C243 I245	A200-I236 HydrophobicContact CB-CD1 4.46Å; I204-I236 HydrophobicContact CD1-CD1 3.91Å; I204-I236 HydrophobicContact CG1-CD1 3.64Å; L216-I236 HydrophobicContact CD2-CD1 4Å; L216-I236 HydrophobicContact CD2-CG2 4.18Å; L219-I236 HydrophobicContact CD1-CG1 4.21Å; L232-I236 VanDerWaalsContact O-CB 3.27Å; L232-I236 WeakPolarHBondContact O-CB 3.46Å; L232-I236 WeakPolarHBondContact O-CG1 3.3Å; L232-I236 PolarHBondContact O-N 3.16Å; I236-M238 VanDerWaalsContact C-N 3.27Å; I236-M238 PolarHBondContact O-N 3.08Å; I236-K239 PolarHBondContact O-N 3.49Å; I236-I240 HydrophobicContact CG2-CB 4.43Å; I236-I240 HydrophobicContact CG2-CD1 4.48Å; I236-I240 CarbonylContact O-C 3.59Å; I236-I240 WeakPolarHBondContact O-CA 3.06Å; I236-I240 PolarHBondContact O-N 3.34Å; I236-C243 HydrophobicContact CG2-CB 3.67Å; I236-I245 HydrophobicContact CB-CD1 4.3Å; I236-I245 HydrophobicContact CG2-CD1 4.07Å
237	K	96.7	Very high	97.4	Very high	34 Å²	34	29 Å²	29	15%	0.148	15%	0.147	C	C	.	.	H	α-helix	trans	-64.1	-29.1	177.7	-69.5	-66.5	-164.5	-177	0	113.3	L18 S233 K239 P241 C243 D286	L18-K237 HydrophobicContact CD1-CB 4.09Å; S233-K237 WeakPolarHBondContact O-CB 3.47Å; S233-K237 WeakPolarHBondContact O-CG 3.31Å; S233-K237 PolarHBondContact O-N 3.45Å; K237-K239 VanDerWaalsContact C-N 3.33Å; K237-P241 WeakPolarHBondContact CD-O 3.32Å; K237-P241 PolarHBondContact NZ-O 2.93Å; K237-P241 WeakPolarHBondContact O-CA 3.4Å; K237-P241 WeakPolarHBondContact O-CG 3.33Å; K237-C243 WeakPolarHBondContact CE-O 3.49Å; K237-C243 PolarHBondContact NZ-O 2.78Å; K237-D286 VanDerWaalsContact CE-OD2 3.32Å; K237-D286 WeakPolarHBondContact CE-OD2 3.3Å; K237-D286 IonicContact NZ-OD1 2.7Å; K237-D286 PolarHBondContact NZ-OD1 2.91Å; K237-D286 IonicContact NZ-OD2 3.65Å; K237-D286 PolarHBondContact NZ-OD2 2.76Å
238	M	94.8	Very high	97.4	Very high	58 Å²	58	29 Å²	29	29%	0.286	15%	0.147	S	C	.	.	H	α-helix	trans	-66.5	-32.8	172.5	-71.7	169.7	75.1	0	0	113.2	F16 L18 F196 R234 K235 I236	F16-M238 HydrophobicContact CE1-SD 4.13Å; F16-M238 HydrophobicContact CZ-CE 4.01Å; F16-M238 HydrophobicContact CZ-SD 4.09Å; L18-M238 HydrophobicContact CB-CG 4.2Å; L18-M238 HydrophobicContact CD2-CG 3.77Å; L18-M238 HydrophobicContact CD2-SD 4.32Å; F196-M238 HydrophobicContact CE2-SD 3.65Å; F196-M238 HydrophobicContact CZ-CE 4.41Å; F196-M238 HydrophobicContact CZ-SD 3.6Å; R234-M238 VanDerWaalsContact O-CG 3.26Å; R234-M238 WeakPolarHBondContact O-CG 3.29Å; R234-M238 PolarHBondContact O-N 3.44Å; R234-M238 VanDerWaalsContact O-N 3.15Å; K235-M238 WeakPolarHBondContact O-CB 3.25Å; K235-M238 PolarHBondContact O-N 3.28Å; I236-M238 VanDerWaalsContact C-N 3.27Å; I236-M238 PolarHBondContact O-N 3.08Å
239	K	94.8	Very high	97.4	Very high	120 Å²	120	28.4 Å²	28.4	52%	0.522	14%	0.143	S	C	.	.	H	α-helix	trans	-99.6	-31.8	-175.5	-64.8	-63.2	-172.2	178.4	0	113.1	I204 I214 K235 I236 K237	I204-K239 HydrophobicContact CD1-CB 4.2Å; I204-K239 HydrophobicContact CD1-CG 3.87Å; I214-K239 HydrophobicContact CD1-CB 4.15Å; K235-K239 PolarHBondContact O-N 2.96Å; I236-K239 PolarHBondContact O-N 3.49Å; K237-K239 VanDerWaalsContact C-N 3.33Å
240	I	96.4	Very high	97.3	Very high	24 Å²	24	28.4 Å²	28.4	12%	0.123	14%	0.143	C	C	.	.			trans	-141.2	73.6	-172.6	-38.1	172.7	0	0	0	108.1	I214 L216 I236 N242 C243	I214-I240 HydrophobicContact CB-CD1 3.81Å; I214-I240 HydrophobicContact CB-CG1 4.23Å; I214-I240 HydrophobicContact CD1-CD1 4.31Å; I214-I240 HydrophobicContact CD1-CG1 4.1Å; I214-I240 HydrophobicContact CG2-CD1 3.39Å; I214-I240 HydrophobicContact CG2-CG1 4.3Å; L216-I240 HydrophobicContact CB-CD1 3.87Å; L216-I240 HydrophobicContact CD2-CD1 4.19Å; I236-I240 HydrophobicContact CG2-CB 4.43Å; I236-I240 HydrophobicContact CG2-CD1 4.48Å; I236-I240 CarbonylContact O-C 3.59Å; I236-I240 WeakPolarHBondContact O-CA 3.06Å; I236-I240 PolarHBondContact O-N 3.34Å; I240-N242 PolarHBondContact O-N 3.49Å; I240-C243 HydrophobicContact CB-CB 4.03Å; I240-C243 HydrophobicContact CG2-CB 3.83Å; I240-C243 WeakPolarHBondContact O-CB 3.31Å; I240-C243 PolarHBondContact O-N 3.01Å
241	P	95.9	Very high	97.1	Very high	85 Å²	85	32.7 Å²	32.7	55%	0.552	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-30.1	-174.7	-26.4	34	0	0	0	114.4	K237	K237-P241 WeakPolarHBondContact CD-O 3.32Å; K237-P241 PolarHBondContact NZ-O 2.93Å; K237-P241 WeakPolarHBondContact O-CA 3.4Å; K237-P241 WeakPolarHBondContact O-CG 3.33Å
242	N	96.4	Very high	96.7	Very high	150 Å²	150	33.1 Å²	33.1	80%	0.802	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-8.7	-178.5	-63.8	-22.1	0	0	0	114.1	I240 L244	I240-N242 PolarHBondContact O-N 3.49Å; N242-L244 PolarHBondContact O-N 3.45Å
243	C	98.4	Very high	96.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.171	C	C	.	.			trans	-64.1	127.7	175.5	176	0	0	0	0	109.3	I236 K237 I240	I236-C243 HydrophobicContact CG2-CB 3.67Å; K237-C243 WeakPolarHBondContact CE-O 3.49Å; K237-C243 PolarHBondContact NZ-O 2.78Å; I240-C243 HydrophobicContact CB-CB 4.03Å; I240-C243 HydrophobicContact CG2-CB 3.83Å; I240-C243 WeakPolarHBondContact O-CB 3.31Å; I240-C243 PolarHBondContact O-N 3.01Å
244	L	98.4	Very high	96.1	Very high	48 Å²	48	34.2 Å²	34.2	25%	0.251	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	132.9	175.9	-65.7	174.1	0	0	0	110.4	D217 M218 L219 N242 D286 L329	D217-L244 PolarHBondContact O-N 3.39Å; M218-L244 CarbonylContact C-O 3.52Å; M218-L244 VanDerWaalsContact CA-O 3.24Å; M218-L244 WeakPolarHBondContact CA-O 3.43Å; M218-L244 HydrophobicContact CB-CB 4.22Å; M218-L244 HydrophobicContact CG-CB 3.93Å; L219-L244 PolarHBondContact N-O 3.41Å; N242-L244 PolarHBondContact O-N 3.45Å; L244-D286 WeakPolarHBondContact CA-OD2 3.4Å; L244-D286 HydrophobicContact CD2-CB 4.19Å; L244-L329 HydrophobicContact CD1-CD1 3.43Å; L244-L329 VanDerWaalsContact CD1-CD1 3.43Å
245	I	98.7	Very high	96	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	121.1	176.3	-55.3	-58.6	0	0	0	108.3	L219 I229 I236 G284 I285 D286 K287	L219-I245 HydrophobicContact CB-CD1 3.96Å; L219-I245 HydrophobicContact CD2-CD1 4.49Å; L219-I245 WeakPolarHBondContact O-CA 3.32Å; I229-I245 HydrophobicContact CD1-CG2 4.01Å; I229-I245 HydrophobicContact CG1-CG2 3.87Å; I236-I245 HydrophobicContact CB-CD1 4.3Å; I236-I245 HydrophobicContact CG2-CD1 4.07Å; I245-G284 WeakPolarHBondContact CB-O 3.4Å; I245-G284 WeakPolarHBondContact CG1-O 3.24Å; I245-G284 WeakPolarHBondContact CG2-O 3.35Å; I245-I285 HydrophobicContact CG2-CG1 4.38Å; I245-D286 PolarHBondContact N-OD2 3.4Å; I245-D286 PolarHBondContact O-N 2.82Å; I245-K287 PolarHBondContact O-N 2.92Å
246	V	98.7	Very high	95.8	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	119.5	-177.5	-173.3	0	0	0	0	110.5	M218 L219 V220 A221 K287 C289 T325	M218-V246 HydrophobicContact CG-CG2 3.8Å; M218-V246 HydrophobicContact SD-CG2 3.55Å; M218-V246 VanDerWaalsContact SD-CG2 3.55Å; L219-V246 PolarHBondContact O-N 3.43Å; V220-V246 WeakPolarHBondContact CA-O 3.48Å; V220-V246 HydrophobicContact CB-CB 4.38Å; V220-V246 HydrophobicContact CG1-CB 4.12Å; V220-V246 HydrophobicContact CG1-CG1 4.26Å; V220-V246 HydrophobicContact CG2-CB 4.02Å; V220-V246 HydrophobicContact CG2-CG2 4.27Å; A221-V246 PolarHBondContact N-O 3.04Å; V246-K287 CarbonylContact C-O 3.55Å; V246-K287 VanDerWaalsContact CA-O 3.3Å; V246-K287 WeakPolarHBondContact CA-O 3.49Å; V246-K287 HydrophobicContact CG1-CB 4.48Å; V246-K287 HydrophobicContact CG2-CB 4.36Å; V246-C289 HydrophobicContact CG1-CB 4.32Å; V246-T325 HydrophobicContact CG2-CG2 3.95Å
247	G	98.5	Very high	95.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	127.3	170.2	0	0	0	0	0	111	K287 W288 C289	G247-K287 PolarHBondContact N-O 3.2Å; G247-W288 CarbonylContact O-C 3.54Å; G247-W288 WeakPolarHBondContact O-CA 3.48Å; G247-C289 PolarHBondContact O-N 3.14Å
248	V	98.5	Very high	94.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	126.4	172.2	-179.6	0	0	0	0	110.1	V220 A221 S222 V223 C289 T291 A317	V220-V248 HydrophobicContact CG1-CG2 3.63Å; A221-V248 PolarHBondContact O-N 3.05Å; S222-V248 CarbonylContact C-O 3.42Å; S222-V248 WeakPolarHBondContact CA-O 3.31Å; V223-V248 PolarHBondContact N-O 3.37Å; V248-C289 WeakPolarHBondContact CA-O 3.34Å; V248-C289 HydrophobicContact CG2-CB 4.33Å; V248-T291 HydrophobicContact CG1-CG2 3.71Å; V248-A317 HydrophobicContact CG1-CB 4.14Å
249	D	97.4	Very high	93.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	135.2	-174.9	-173.2	42	0	0	0	109.5	S253 L255 A256 W288 C289 K290 T291	D249-S253 VanDerWaalsContact OD1-CB 3.31Å; D249-S253 WeakPolarHBondContact OD1-CB 3.43Å; D249-S253 PolarHBondContact OD1-OG 3.07Å; D249-S253 VanDerWaalsContact OD1-OG 3.13Å; D249-L255 PolarHBondContact OD2-N 3.49Å; D249-A256 HydrophobicContact CB-CB 3.72Å; D249-A256 WeakPolarHBondContact OD2-CB 3.46Å; D249-A256 PolarHBondContact OD2-N 3.17Å; D249-W288 HydrophobicContact CB-CE3 4.13Å; D249-W288 HydrophobicContact CB-CZ3 4.12Å; D249-C289 PolarHBondContact N-O 2.65Å; D249-K290 HydrophobicContact CB-CD 4.23Å; D249-K290 CarbonylContact O-C 3.58Å; D249-K290 WeakPolarHBondContact O-CA 3.42Å; D249-K290 WeakPolarHBondContact O-CD 3.38Å; D249-K290 IonicContact OD2-NZ 3.66Å; D249-K290 PolarHBondContact OD2-NZ 2.89Å; D249-T291 PolarHBondContact O-N 3.47Å
250	P	96.1	Very high	92.1	Very high	1 Å²	1	41 Å²	41	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	152.1	179.7	27.4	-36.2	0	0	0	112.3	G252 S253 Y266 I271 K290 T291	P250-G252 PolarHBondContact O-N 3.22Å; P250-S253 PolarHBondContact O-N 2.76Å; P250-Y266 HydrophobicContact CB-CD1 4.38Å; P250-Y266 HydrophobicContact CB-CD2 4.05Å; P250-Y266 HydrophobicContact CB-CE2 4.41Å; P250-Y266 HydrophobicContact CB-CG 4.05Å; P250-Y266 HydrophobicContact CG-CD1 4.28Å; P250-Y266 HydrophobicContact CG-CD2 3.91Å; P250-Y266 HydrophobicContact CG-CE1 4.16Å; P250-Y266 HydrophobicContact CG-CE2 3.75Å; P250-Y266 HydrophobicContact CG-CG 4.19Å; P250-I271 HydrophobicContact CB-CD1 4.42Å; P250-I271 HydrophobicContact CG-CD1 4.25Å; P250-I271 HydrophobicContact CG-CG1 3.99Å; P250-K290 PolarHBondContact O-NZ 3.38Å; P250-K290 VanDerWaalsContact O-NZ 3.1Å; P250-T291 CarbonylContact C-O 3.54Å; P250-T291 WeakPolarHBondContact CA-O 3.39Å
251	I	94	Very high	90.9	Very high	93 Å²	93	44.8 Å²	44.8	48%	0.477	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	130.5	163.5	-64.9	173.2	0	0	0	107.8	K290 T291	I251-K290 HydrophobicContact CG1-CB 4.11Å; I251-T291 PolarHBondContact N-O 2.93Å
252	G	89	Confident	89.9	Confident	10 Å²	10	48.2 Å²	48.2	10%	0.103	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	98.2	-10.6	-174.6	0	0	0	0	0	115.1	P250 T263 T264	P250-G252 PolarHBondContact O-N 3.22Å; G252-T263 WeakPolarHBondContact O-CA 3.44Å; G252-T263 WeakPolarHBondContact O-CB 3.49Å; G252-T264 WeakPolarHBondContact CA-O 3.42Å; G252-T264 WeakPolarHBondContact CA-OG1 3.22Å; G252-T264 PolarHBondContact O-N 2.89Å; G252-T264 VanDerWaalsContact O-N 3.09Å
253	S	92.6	Very high	89.1	Confident	6 Å²	6	44.5 Å²	44.5	4%	0.042	25%	0.247	C	C	.	.			trans	-91.4	161.3	164.9	-178.8	0	0	0	0	112	D249 P250 L255 G272 Y273 K290	D249-S253 VanDerWaalsContact OD1-CB 3.31Å; D249-S253 WeakPolarHBondContact OD1-CB 3.43Å; D249-S253 PolarHBondContact OD1-OG 3.07Å; D249-S253 VanDerWaalsContact OD1-OG 3.13Å; P250-S253 PolarHBondContact O-N 2.76Å; S253-L255 PolarHBondContact OG-N 2.68Å; S253-G272 VanDerWaalsContact OG-CA 3.25Å; S253-G272 WeakPolarHBondContact OG-CA 3.35Å; S253-Y273 PolarHBondContact OG-N 3Å; S253-Y273 PolarHBondContact OG-O 3.37Å; S253-K290 PolarHBondContact O-NZ 3.07Å
254	I	92.9	Very high	88.4	Confident	16 Å²	16	48.1 Å²	48.1	8%	0.082	27%	0.269	C	S	.	.	S	Bend	trans	-99.8	-7.8	177.2	68.7	176.4	0	0	0	114.3	A256 N257 C260 T263 Y273 D274 F276	I254-A256 VanDerWaalsContact C-N 3.32Å; I254-A256 PolarHBondContact O-N 3.41Å; I254-N257 CarbonylContact O-C 3.55Å; I254-N257 PolarHBondContact O-N 2.91Å; I254-C260 VanDerWaalsContact CG2-O 3.32Å; I254-C260 WeakPolarHBondContact CG2-O 3.28Å; I254-T263 HydrophobicContact CG2-CG2 3.58Å; I254-Y273 PolarHBondContact N-O 3.01Å; I254-D274 WeakPolarHBondContact CD1-O 3.37Å; I254-F276 HydrophobicContact CD1-CD2 4.05Å; I254-F276 HydrophobicContact CD1-CE2 3.59Å; I254-F276 HydrophobicContact CD1-CZ 4.45Å; I254-F276 HydrophobicContact CG1-CD2 4.47Å; I254-F276 HydrophobicContact CG1-CE2 3.8Å; I254-F276 HydrophobicContact CG1-CZ 4.18Å; I254-F276 WeakPolarHBondContact O-CZ 3.25Å
255	L	93.4	Very high	87.8	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.005	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-38.8	-166.7	-61.2	-178.6	0	0	0	113.5	V223 G224 D249 S253 Y273 F275 F276 L280 W288	V223-L255 HydrophobicContact CB-CD1 4.44Å; V223-L255 HydrophobicContact CG1-CD1 3.92Å; G224-L255 WeakPolarHBondContact O-CD1 3.44Å; D249-L255 PolarHBondContact OD2-N 3.49Å; S253-L255 PolarHBondContact OG-N 2.68Å; L255-Y273 HydrophobicContact CD1-CD2 4.35Å; L255-F275 WeakPolarHBondContact CD2-O 3.41Å; L255-F276 HydrophobicContact CD2-CD1 4.15Å; L255-F276 HydrophobicContact CD2-CE1 4.27Å; L255-L280 HydrophobicContact CD2-CD2 3.9Å; L255-W288 HydrophobicContact CB-CH2 4.35Å
256	A	92.5	Very high	87.4	Confident	8 Å²	8	55 Å²	55	7%	0.066	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-22	175.1	0	0	0	0	0	114.3	D249 I254 W288 K290	D249-A256 HydrophobicContact CB-CB 3.72Å; D249-A256 WeakPolarHBondContact OD2-CB 3.46Å; D249-A256 PolarHBondContact OD2-N 3.17Å; I254-A256 VanDerWaalsContact C-N 3.32Å; I254-A256 PolarHBondContact O-N 3.41Å; A256-W288 HydrophobicContact CB-CB 3.66Å; A256-W288 HydrophobicContact CB-CD2 3.7Å; A256-W288 HydrophobicContact CB-CE3 3.62Å; A256-W288 HydrophobicContact CB-CG 3.75Å; A256-W288 HydrophobicContact CB-CZ3 4.38Å; A256-K290 HydrophobicContact CB-CD 3.98Å
257	N	84.4	Confident	87	Confident	83 Å²	83	56.3 Å²	56.3	44%	0.444	32%	0.315	S	S	.	.			trans	-134.2	74.2	-174.2	-71.1	-16	0	0	0	110.2	I254 E259 C260	I254-N257 CarbonylContact O-C 3.55Å; I254-N257 PolarHBondContact O-N 2.91Å; N257-E259 PolarHBondContact O-N 3.34Å; N257-C260 HydrophobicContact CB-CB 4.18Å; N257-C260 PolarHBondContact O-N 2.9Å
258	P	74.8	Confident	86.8	Confident	86 Å²	86	56.4 Å²	56.4	56%	0.558	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-26.1	-178.8	17.9	-30.2	0	0	0	114.2	C260 F276	P258-C260 VanDerWaalsContact C-N 3.33Å; P258-F276 HydrophobicContact CB-CE1 4.19Å; P258-F276 HydrophobicContact CB-CE2 3.91Å; P258-F276 HydrophobicContact CB-CZ 3.43Å; P258-F276 VanDerWaalsContact CB-CZ 3.43Å; P258-F276 HydrophobicContact CG-CZ 4.3Å
259	E	75.1	Confident	86.5	Confident	190 Å²	190	57.4 Å²	57.4	89%	0.888	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-14.8	-179.2	-59.6	-177.3	169	0	0	113.4	N257 P261	N257-E259 PolarHBondContact O-N 3.34Å; E259-P261 VanDerWaalsContact O-CD 3.29Å; E259-P261 WeakPolarHBondContact O-CD 3.34Å
260	C	72.3	Confident	86.1	Confident	59 Å²	59	59.5 Å²	59.5	40%	0.399	34%	0.342	S	S	.	.			trans	-106.1	97.6	178.4	-170.7	0	0	0	0	109.2	I254 N257 P258 E262	I254-C260 VanDerWaalsContact CG2-O 3.32Å; I254-C260 WeakPolarHBondContact CG2-O 3.28Å; N257-C260 HydrophobicContact CB-CB 4.18Å; N257-C260 PolarHBondContact O-N 2.9Å; P258-C260 VanDerWaalsContact C-N 3.33Å; C260-E262 PolarHBondContact O-N 2.85Å
261	P	71.3	Confident	86.1	Confident	104 Å²	104	59.8 Å²	59.8	68%	0.675	34%	0.343	S	S	*	.			trans	-76.9	-8	-175.1	32.1	-36.5	0	0	0	113.2	E259 T263	E259-P261 VanDerWaalsContact O-CD 3.29Å; E259-P261 WeakPolarHBondContact O-CD 3.34Å; P261-T263 PolarHBondContact O-N 2.92Å
262	E	74.3	Confident	86	Confident	157 Å²	157	55.5 Å²	55.5	73%	0.734	32%	0.323	S	S	*	.			trans	-69.7	117.1	-178.4	-68.8	-174.2	-178.1	0	0	110.4	C260	C260-E262 PolarHBondContact O-N 2.85Å
263	T	80.7	Confident	86	Confident	72 Å²	72	56.8 Å²	56.8	44%	0.442	33%	0.325	S	S	.	.			trans	-104.3	141.4	172.8	52.5	0	0	0	0	109.8	G252 I254 P261 D274	G252-T263 WeakPolarHBondContact O-CA 3.44Å; G252-T263 WeakPolarHBondContact O-CB 3.49Å; I254-T263 HydrophobicContact CG2-CG2 3.58Å; P261-T263 PolarHBondContact O-N 2.92Å; T263-D274 HydrophobicContact CG2-CB 3.85Å
264	T	83.3	Confident	85.7	Confident	76 Å²	76	59.6 Å²	59.6	47%	0.466	34%	0.339	S	S	.	.			trans	-125.7	148.9	170.9	57.4	0	0	0	0	109.3	G252 Y266	G252-T264 WeakPolarHBondContact CA-O 3.42Å; G252-T264 WeakPolarHBondContact CA-OG1 3.22Å; G252-T264 PolarHBondContact O-N 2.89Å; G252-T264 VanDerWaalsContact O-N 3.09Å; T264-Y266 WeakPolarHBondContact O-CD1 3.49Å
265	P	84.5	Confident	85.5	Confident	126 Å²	126	59.3 Å²	59.3	82%	0.818	34%	0.337	S	S	*	.			trans	-62.4	139.3	175.9	-20.8	32.8	0	0	0	111.5
266	Y	90.2	Very high	85.4	Confident	65 Å²	65	62.3 Å²	62.3	26%	0.255	35%	0.35	S	S	.	.			trans	-132.3	160.4	171.6	50.2	-92.1	0	0	0	109.9	P250 T264 V268 I271 G272 D293	P250-Y266 HydrophobicContact CB-CD1 4.38Å; P250-Y266 HydrophobicContact CB-CD2 4.05Å; P250-Y266 HydrophobicContact CB-CE2 4.41Å; P250-Y266 HydrophobicContact CB-CG 4.05Å; P250-Y266 HydrophobicContact CG-CD1 4.28Å; P250-Y266 HydrophobicContact CG-CD2 3.91Å; P250-Y266 HydrophobicContact CG-CE1 4.16Å; P250-Y266 HydrophobicContact CG-CE2 3.75Å; P250-Y266 HydrophobicContact CG-CG 4.19Å; T264-Y266 WeakPolarHBondContact O-CD1 3.49Å; Y266-V268 WeakPolarHBondContact CD2-O 3.37Å; Y266-I271 VanDerWaalsContact CE2-O 3.23Å; Y266-I271 WeakPolarHBondContact CE2-O 3.3Å; Y266-I271 PolarHBondContact OH-O 3.18Å; Y266-G272 WeakPolarHBondContact OH-CA 3.37Å; Y266-G272 PolarHBondContact OH-O 3.43Å; Y266-D293 WeakPolarHBondContact CA-OD2 3.32Å
267	D	92	Very high	85.4	Confident	29 Å²	29	62.1 Å²	62.1	16%	0.155	35%	0.348	C	S	.	.			trans	-98.6	-24.6	-174.6	-86.2	-49.7	0	0	0	114.2	E269 D293 F297 W357 R361 Y363	D267-E269 PolarHBondContact O-N 3.1Å; D267-D293 PolarHBondContact N-OD1 2.9Å; D267-D293 PolarHBondContact N-OD2 2.64Å; D267-F297 HydrophobicContact CB-CE2 3.72Å; D267-F297 HydrophobicContact CB-CZ 3.86Å; D267-W357 HydrophobicContact CB-CH2 4.12Å; D267-W357 HydrophobicContact CB-CZ2 4.45Å; D267-R361 IonicContact OD1-CZ 3.27Å; D267-R361 IonicContact OD1-NE 3.17Å; D267-R361 PolarHBondContact OD1-NE 3.22Å; D267-R361 IonicContact OD1-NH2 2.61Å; D267-R361 PolarHBondContact OD1-NH2 3.04Å; D267-R361 IonicContact OD2-CZ 2.82Å; D267-R361 IonicContact OD2-NE 3.59Å; D267-R361 PolarHBondContact OD2-NE 2.71Å; D267-R361 IonicContact OD2-NH2 3.24Å; D267-R361 PolarHBondContact OD2-NH2 3.2Å; D267-Y363 HydrophobicContact CB-CE2 4.34Å; D267-Y363 PolarHBondContact OD2-OH 3.47Å
268	V	94	Very high	86	Confident	2 Å²	2	59.1 Å²	59.1	1%	0.012	33%	0.333	C	S	.	.			trans	-64.9	120.3	177.4	-178.6	0	0	0	0	109.7	Y266 I271 D293 F297	Y266-V268 WeakPolarHBondContact CD2-O 3.37Å; V268-I271 HydrophobicContact CB-CD1 4.24Å; V268-I271 HydrophobicContact CB-CG1 4.39Å; V268-I271 HydrophobicContact CG1-CD1 3.53Å; V268-I271 HydrophobicContact CG1-CG1 3.78Å; V268-D293 HydrophobicContact CG2-CB 4.48Å; V268-D293 WeakPolarHBondContact CG2-OD1 3.34Å; V268-D293 PolarHBondContact N-OD1 3.29Å; V268-F297 HydrophobicContact CB-CZ 4.31Å; V268-F297 HydrophobicContact CG2-CD1 4.41Å; V268-F297 HydrophobicContact CG2-CE1 3.84Å; V268-F297 HydrophobicContact CG2-CE2 4.06Å; V268-F297 HydrophobicContact CG2-CZ 3.64Å
269	E	91.6	Very high	87	Confident	22 Å²	22	55.5 Å²	55.5	10%	0.103	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	147.5	-175.8	-65.9	175.5	-111.4	0	0	113	M135 K139 D267 Y348 K351	M135-E269 VanDerWaalsContact SD-OE2 3.38Å; K139-E269 IonicContact NZ-OE2 2.66Å; K139-E269 PolarHBondContact NZ-OE2 2.94Å; D267-E269 PolarHBondContact O-N 3.1Å; E269-Y348 HydrophobicContact CB-CE1 3.99Å; E269-Y348 HydrophobicContact CG-CE1 4.37Å; E269-Y348 WeakPolarHBondContact OE1-CE1 3.34Å; E269-K351 VanDerWaalsContact CD-NZ 3.3Å; E269-K351 VanDerWaalsContact OE1-CD 3.27Å; E269-K351 WeakPolarHBondContact OE1-CD 3.5Å; E269-K351 WeakPolarHBondContact OE1-CE 3.41Å; E269-K351 IonicContact OE1-NZ 2.9Å; E269-K351 PolarHBondContact OE1-NZ 3.21Å; E269-K351 IonicContact OE2-NZ 3.21Å
270	G	90.1	Very high	88	Confident	44 Å²	44	47.4 Å²	47.4	45%	0.454	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	90	0.7	170.7	0	0	0	0	0	114.9
271	I	94.4	Very high	89	Confident	6 Å²	6	45.8 Å²	45.8	3%	0.031	26%	0.259	C	S	.	.	S	Bend	trans	-134.2	157.8	179	66.3	172.5	0	0	0	109.4	S222 V223 P250 Y266 V268 A317	S222-I271 WeakPolarHBondContact OG-CG2 3.36Å; V223-I271 CarbonylContact O-C 3.28Å; V223-I271 WeakPolarHBondContact O-CA 3.35Å; P250-I271 HydrophobicContact CB-CD1 4.42Å; P250-I271 HydrophobicContact CG-CD1 4.25Å; P250-I271 HydrophobicContact CG-CG1 3.99Å; Y266-I271 VanDerWaalsContact CE2-O 3.23Å; Y266-I271 WeakPolarHBondContact CE2-O 3.3Å; Y266-I271 PolarHBondContact OH-O 3.18Å; V268-I271 HydrophobicContact CB-CD1 4.24Å; V268-I271 HydrophobicContact CB-CG1 4.39Å; V268-I271 HydrophobicContact CG1-CD1 3.53Å; V268-I271 HydrophobicContact CG1-CG1 3.78Å; I271-A317 HydrophobicContact CD1-CB 3.91Å
272	G	92.3	Very high	90.1	Very high	4 Å²	4	43.8 Å²	43.8	4%	0.041	25%	0.245	C	C	.	.			trans	72.8	145.7	-176.5	0	0	0	0	0	114	V223 S253 Y266	V223-G272 PolarHBondContact O-N 3.43Å; S253-G272 VanDerWaalsContact OG-CA 3.25Å; S253-G272 WeakPolarHBondContact OG-CA 3.35Å; Y266-G272 WeakPolarHBondContact OH-CA 3.37Å; Y266-G272 PolarHBondContact OH-O 3.43Å
273	Y	89.6	Confident	90.9	Very high	37 Å²	37	43.3 Å²	43.3	15%	0.145	25%	0.248	C	C	.	.			trans	-146.7	165.1	172.1	-77.6	-83.8	0	0	0	111.9	Y186 G224 S253 I254 L255 F275 P277	Y186-Y273 HydrophobicContact CE1-CD1 4.5Å; Y186-Y273 AromaticContact CE1-CE1 3.68Å; Y186-Y273 HydrophobicContact CE1-CE1 3.68Å; Y186-Y273 HydrophobicContact CE1-CE2 4.35Å; Y186-Y273 AromaticContact CE1-CZ 3.61Å; Y186-Y273 WeakPolarHBondContact CE1-OH 3.33Å; Y186-Y273 PolarHBondContact OH-OH 2.94Å; G224-Y273 WeakPolarHBondContact O-CD2 3.44Å; S253-Y273 PolarHBondContact OG-N 3Å; S253-Y273 PolarHBondContact OG-O 3.37Å; I254-Y273 PolarHBondContact N-O 3.01Å; L255-Y273 HydrophobicContact CD1-CD2 4.35Å; Y273-F275 WeakPolarHBondContact CB-O 3.3Å; Y273-F275 HydrophobicContact CD1-CD1 4.25Å; Y273-F275 AromaticContact CD1-CE1 3.48Å; Y273-F275 HydrophobicContact CD1-CE1 3.48Å; Y273-F275 VanDerWaalsContact CD1-CE1 3.48Å; Y273-F275 AromaticContact CD1-CZ 3.7Å; Y273-F275 HydrophobicContact CD1-CZ 3.7Å; Y273-F275 HydrophobicContact CE1-CE1 4.11Å; Y273-F275 HydrophobicContact CE1-CZ 4.08Å; Y273-F275 HydrophobicContact CG-CE1 4.27Å; Y273-F275 HydrophobicContact CG-CZ 4.34Å; Y273-P277 HydrophobicContact CD2-CG 4.46Å
274	D	85.7	Confident	91.5	Very high	65 Å²	65	40.4 Å²	40.4	35%	0.348	23%	0.232	S	C	.	.	S	Bend	trans	-96.4	3.7	171.9	62.5	-26.3	0	0	0	112.9	I254 T263	I254-D274 WeakPolarHBondContact CD1-O 3.37Å; T263-D274 HydrophobicContact CG2-CB 3.85Å
275	F	88.1	Confident	92.1	Very high	9 Å²	9	37.5 Å²	37.5	4%	0.039	21%	0.214	C	C	.	.	S	Bend	trans	-141.3	165.9	172.9	67.1	-90.5	0	0	0	109.8	P8 D9 F159 F166 Y186 L255 Y273 P277	P8-F275 HydrophobicContact CB-CD2 4.37Å; P8-F275 HydrophobicContact CB-CE2 3.71Å; P8-F275 HydrophobicContact CB-CZ 4.14Å; P8-F275 HydrophobicContact CG-CD2 4.17Å; P8-F275 HydrophobicContact CG-CE2 3.85Å; P8-F275 HydrophobicContact CG-CZ 4.12Å; D9-F275 HydrophobicContact CB-CB 4.23Å; D9-F275 HydrophobicContact CB-CD2 3.97Å; D9-F275 HydrophobicContact CB-CG 4.49Å; F159-F275 HydrophobicContact CB-CD1 4.38Å; F159-F275 HydrophobicContact CB-CE1 4.48Å; F159-F275 HydrophobicContact CD1-CB 4.26Å; F159-F275 HydrophobicContact CD1-CD1 4.01Å; F159-F275 HydrophobicContact CD1-CG 4.42Å; F159-F275 HydrophobicContact CE1-CB 4.05Å; F159-F275 HydrophobicContact CG-CD1 4.27Å; F166-F275 HydrophobicContact CE2-CE1 4.23Å; F166-F275 HydrophobicContact CE2-CZ 4.49Å; F166-F275 AromaticContact CZ-CE1 3.91Å; F166-F275 HydrophobicContact CZ-CE1 3.91Å; F166-F275 AromaticContact CZ-CZ 3.74Å; F166-F275 HydrophobicContact CZ-CZ 3.74Å; Y186-F275 AromaticContact CD1-CE2 3.94Å; Y186-F275 HydrophobicContact CD1-CE2 3.94Å; Y186-F275 AromaticContact CD1-CZ 3.75Å; Y186-F275 HydrophobicContact CD1-CZ 3.75Å; Y186-F275 HydrophobicContact CE1-CE2 4.44Å; Y186-F275 AromaticContact CE1-CZ 3.8Å; Y186-F275 HydrophobicContact CE1-CZ 3.8Å; Y186-F275 HydrophobicContact CG-CZ 4.46Å; L255-F275 WeakPolarHBondContact CD2-O 3.41Å; Y273-F275 WeakPolarHBondContact CB-O 3.3Å; Y273-F275 HydrophobicContact CD1-CD1 4.25Å; Y273-F275 AromaticContact CD1-CE1 3.48Å; Y273-F275 HydrophobicContact CD1-CE1 3.48Å; Y273-F275 VanDerWaalsContact CD1-CE1 3.48Å; Y273-F275 AromaticContact CD1-CZ 3.7Å; Y273-F275 HydrophobicContact CD1-CZ 3.7Å; Y273-F275 HydrophobicContact CE1-CE1 4.11Å; Y273-F275 HydrophobicContact CE1-CZ 4.08Å; Y273-F275 HydrophobicContact CG-CE1 4.27Å; Y273-F275 HydrophobicContact CG-CZ 4.34Å; F275-P277 HydrophobicContact CD2-CG 4.4Å; F275-P277 HydrophobicContact CE2-CB 4.28Å; F275-P277 HydrophobicContact CE2-CG 3.91Å; F275-P277 WeakPolarHBondContact O-CD 3.3Å
276	F	91.4	Very high	92.8	Very high	65 Å²	65	35.1 Å²	35.1	29%	0.285	19%	0.194	S	C	.	.			trans	-95.2	109.1	176.8	-75.8	-92	0	0	0	110.8	D9 I254 L255 P258 L280	D9-F276 WeakPolarHBondContact CA-O 3.49Å; D9-F276 WeakPolarHBondContact CB-O 3.34Å; I254-F276 HydrophobicContact CD1-CD2 4.05Å; I254-F276 HydrophobicContact CD1-CE2 3.59Å; I254-F276 HydrophobicContact CD1-CZ 4.45Å; I254-F276 HydrophobicContact CG1-CD2 4.47Å; I254-F276 HydrophobicContact CG1-CE2 3.8Å; I254-F276 HydrophobicContact CG1-CZ 4.18Å; I254-F276 WeakPolarHBondContact O-CZ 3.25Å; L255-F276 HydrophobicContact CD2-CD1 4.15Å; L255-F276 HydrophobicContact CD2-CE1 4.27Å; P258-F276 HydrophobicContact CB-CE1 4.19Å; P258-F276 HydrophobicContact CB-CE2 3.91Å; P258-F276 HydrophobicContact CB-CZ 3.43Å; P258-F276 VanDerWaalsContact CB-CZ 3.43Å; P258-F276 HydrophobicContact CG-CZ 4.3Å; F276-L280 HydrophobicContact CD1-CD2 4.16Å
277	P	94.2	Very high	93.1	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.019	20%	0.196	C	C	.	.			trans	-60.9	139.7	178.2	-23.2	34.6	0	0	0	112.2	P8 Y186 T225 Y273 F275 V279 L280	P8-P277 CarbonylContact O-C 3.49Å; P8-P277 WeakPolarHBondContact O-CA 3.24Å; Y186-P277 HydrophobicContact CD1-CB 4.19Å; Y186-P277 HydrophobicContact CD1-CG 4.27Å; T225-P277 VanDerWaalsContact O-CB 3.24Å; T225-P277 WeakPolarHBondContact O-CB 3.17Å; Y273-P277 HydrophobicContact CD2-CG 4.46Å; F275-P277 HydrophobicContact CD2-CG 4.4Å; F275-P277 HydrophobicContact CE2-CB 4.28Å; F275-P277 HydrophobicContact CE2-CG 3.91Å; F275-P277 WeakPolarHBondContact O-CD 3.3Å; P277-V279 HydrophobicContact CB-CG2 4.41Å; P277-V279 PolarHBondContact O-N 2.93Å; P277-V279 VanDerWaalsContact O-N 3.11Å; P277-L280 HydrophobicContact CB-CB 4.46Å; P277-L280 VanDerWaalsContact O-CB 3.32Å; P277-L280 WeakPolarHBondContact O-CB 3.35Å; P277-L280 PolarHBondContact O-N 3.05Å
278	T	95.6	Very high	93.3	Very high	20 Å²	20	37.5 Å²	37.5	12%	0.123	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-33.2	178.1	-62	0	0	0	0	113.8	P8 L10 Y186 L280	P8-T278 PolarHBondContact O-N 2.79Å; P8-T278 PolarHBondContact O-OG1 2.77Å; L10-T278 PolarHBondContact N-OG1 3.25Å; L10-T278 VanDerWaalsContact O-CA 3.29Å; L10-T278 WeakPolarHBondContact O-CA 3.37Å; L10-T278 WeakPolarHBondContact O-CB 3.34Å; L10-T278 VanDerWaalsContact O-CG2 3.25Å; L10-T278 WeakPolarHBondContact O-CG2 3.38Å; L10-T278 PolarHBondContact O-OG1 2.94Å; Y186-T278 WeakPolarHBondContact O-CB 3.41Å; Y186-T278 PolarHBondContact O-N 2.91Å; Y186-T278 VanDerWaalsContact O-N 3.12Å; T278-L280 VanDerWaalsContact C-N 3.31Å
279	V	96.3	Very high	93.5	Very high	11 Å²	11	37.8 Å²	37.8	7%	0.067	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-9.2	179.3	-61.5	0	0	0	0	114.1	Y186 N188 P192 T225 A230 P277 D281	Y186-V279 WeakPolarHBondContact O-CG1 3.34Å; Y186-V279 PolarHBondContact O-N 2.73Å; N188-V279 VanDerWaalsContact O-CG1 3.32Å; N188-V279 WeakPolarHBondContact O-CG1 3.2Å; P192-V279 HydrophobicContact CG-CB 4.17Å; P192-V279 HydrophobicContact CG-CG1 4.41Å; T225-V279 WeakPolarHBondContact O-CG2 3.44Å; A230-V279 WeakPolarHBondContact CB-O 3.49Å; P277-V279 HydrophobicContact CB-CG2 4.41Å; P277-V279 PolarHBondContact O-N 2.93Å; P277-V279 VanDerWaalsContact O-N 3.11Å; V279-D281 PolarHBondContact O-N 2.86Å
280	L	95.8	Very high	93.7	Very high	19 Å²	19	38.8 Å²	38.8	10%	0.099	21%	0.208	C	C	.	.			trans	-76.6	106	176.1	176.3	59.5	0	0	0	109.7	V223 I229 L255 F276 P277 T278 T282 I285	V223-L280 HydrophobicContact CG1-CD1 3.91Å; I229-L280 HydrophobicContact CG2-CD1 4.05Å; L255-L280 HydrophobicContact CD2-CD2 3.9Å; F276-L280 HydrophobicContact CD1-CD2 4.16Å; P277-L280 HydrophobicContact CB-CB 4.46Å; P277-L280 VanDerWaalsContact O-CB 3.32Å; P277-L280 WeakPolarHBondContact O-CB 3.35Å; P277-L280 PolarHBondContact O-N 3.05Å; T278-L280 VanDerWaalsContact C-N 3.31Å; L280-T282 HydrophobicContact CD1-CG2 4.33Å; L280-T282 HydrophobicContact CD2-CG2 4.17Å; L280-T282 HydrophobicContact CG-CG2 3.92Å; L280-I285 HydrophobicContact CD1-CD1 4.3Å
281	D	94.2	Very high	94.1	Very high	25 Å²	25	36.7 Å²	36.7	13%	0.134	19%	0.187	C	C	.	.			trans	-95.4	107.6	168.9	-173.2	-2.4	0	0	0	109.8	A230 R234 V279 N283	A230-D281 HydrophobicContact CB-CB 3.92Å; R234-D281 IonicContact CZ-OD2 3.91Å; R234-D281 IonicContact NE-OD2 2.77Å; R234-D281 PolarHBondContact NE-OD2 3.11Å; R234-D281 IonicContact NH2-OD2 2.67Å; R234-D281 PolarHBondContact NH2-OD2 3Å; V279-D281 PolarHBondContact O-N 2.86Å; D281-N283 WeakPolarHBondContact OD1-CB 3.5Å; D281-N283 PolarHBondContact OD1-N 2.92Å; D281-N283 VanDerWaalsContact OD1-N 3.1Å; D281-N283 PolarHBondContact OD1-ND2 2.94Å
282	T	93.5	Very high	94.2	Very high	62 Å²	62	38.3 Å²	38.3	38%	0.38	20%	0.198	S	C	.	.			trans	-83.6	-14.7	-178.6	56.7	0	0	0	0	113.4	L280 G284 I285 W288	L280-T282 HydrophobicContact CD1-CG2 4.33Å; L280-T282 HydrophobicContact CD2-CG2 4.17Å; L280-T282 HydrophobicContact CG-CG2 3.92Å; T282-G284 PolarHBondContact O-N 3.49Å; T282-I285 PolarHBondContact O-N 3.22Å; T282-W288 HydrophobicContact CG2-CZ2 4.15Å
283	N	92.4	Very high	94.4	Very high	147 Å²	147	39.1 Å²	39.1	79%	0.786	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-27.2	-176.7	-65.8	-45.5	0	0	0	112.7	D281 I285	D281-N283 WeakPolarHBondContact OD1-CB 3.5Å; D281-N283 PolarHBondContact OD1-N 2.92Å; D281-N283 VanDerWaalsContact OD1-N 3.1Å; D281-N283 PolarHBondContact OD1-ND2 2.94Å; N283-I285 VanDerWaalsContact C-N 3.35Å
284	G	92.4	Very high	94.8	Very high	11 Å²	11	41.3 Å²	41.3	11%	0.113	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-0.2	177.7	0	0	0	0	0	114.6	S233 I245 T282	S233-G284 WeakPolarHBondContact CB-O 3.34Å; I245-G284 WeakPolarHBondContact CB-O 3.4Å; I245-G284 WeakPolarHBondContact CG1-O 3.24Å; I245-G284 WeakPolarHBondContact CG2-O 3.35Å; T282-G284 PolarHBondContact O-N 3.49Å
285	I	96.9	Very high	95.3	Very high	16 Å²	16	40.4 Å²	40.4	8%	0.082	21%	0.207	C	C	.	.			trans	-99.2	114.8	-177.5	-58.8	174.6	0	0	0	108.8	I229 I245 L280 T282 N283 K287 W288	I229-I285 HydrophobicContact CD1-CD1 3.78Å; I229-I285 HydrophobicContact CD1-CG1 3.83Å; I229-I285 HydrophobicContact CG1-CD1 4.15Å; I229-I285 HydrophobicContact CG1-CG1 4.05Å; I229-I285 HydrophobicContact CG2-CD1 3.99Å; I245-I285 HydrophobicContact CG2-CG1 4.38Å; L280-I285 HydrophobicContact CD1-CD1 4.3Å; T282-I285 PolarHBondContact O-N 3.22Å; N283-I285 VanDerWaalsContact C-N 3.35Å; I285-K287 VanDerWaalsContact CG2-O 3.24Å; I285-K287 WeakPolarHBondContact CG2-O 3.37Å; I285-W288 HydrophobicContact CD1-CH2 3.61Å; I285-W288 HydrophobicContact CD1-CZ2 3.3Å; I285-W288 HydrophobicContact CD1-CZ3 4.47Å; I285-W288 HydrophobicContact CG1-CZ2 4.49Å; I285-W288 HydrophobicContact CG2-CD2 4.13Å; I285-W288 HydrophobicContact CG2-CG 4.39Å; I285-W288 HydrophobicContact CG2-CZ2 4.26Å
286	D	97.7	Very high	95.8	Very high	75 Å²	75	40 Å²	40	40%	0.401	21%	0.206	S	C	.	.			trans	-81.4	-31.9	-178.2	-55.2	-75.6	0	0	0	112.2	K237 L244 I245	K237-D286 VanDerWaalsContact CE-OD2 3.32Å; K237-D286 WeakPolarHBondContact CE-OD2 3.3Å; K237-D286 IonicContact NZ-OD1 2.7Å; K237-D286 PolarHBondContact NZ-OD1 2.91Å; K237-D286 IonicContact NZ-OD2 3.65Å; K237-D286 PolarHBondContact NZ-OD2 2.76Å; L244-D286 WeakPolarHBondContact CA-OD2 3.4Å; L244-D286 HydrophobicContact CD2-CB 4.19Å; I245-D286 PolarHBondContact N-OD2 3.4Å; I245-D286 PolarHBondContact O-N 2.82Å
287	K	97.1	Very high	96.2	Very high	70 Å²	70	37.3 Å²	37.3	30%	0.304	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	146.7	-179.6	-74.8	-179	178.5	-86.2	0	112	I245 V246 G247 I285 T325 L329	I245-K287 PolarHBondContact O-N 2.92Å; V246-K287 CarbonylContact C-O 3.55Å; V246-K287 VanDerWaalsContact CA-O 3.3Å; V246-K287 WeakPolarHBondContact CA-O 3.49Å; V246-K287 HydrophobicContact CG1-CB 4.48Å; V246-K287 HydrophobicContact CG2-CB 4.36Å; G247-K287 PolarHBondContact N-O 3.2Å; I285-K287 VanDerWaalsContact CG2-O 3.24Å; I285-K287 WeakPolarHBondContact CG2-O 3.37Å; K287-T325 HydrophobicContact CD-CG2 4.11Å; K287-L329 HydrophobicContact CD-CD1 4.45Å
288	W	97.1	Very high	96.4	Very high	74 Å²	74	41.7 Å²	41.7	28%	0.28	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	143.4	168.3	-72.3	99.7	0	0	0	110.7	V223 G247 D249 L255 A256 T282 I285	V223-W288 HydrophobicContact CB-CH2 4.23Å; V223-W288 HydrophobicContact CB-CZ3 3.93Å; V223-W288 HydrophobicContact CG1-CH2 4.1Å; V223-W288 HydrophobicContact CG1-CZ3 4.31Å; V223-W288 HydrophobicContact CG2-CH2 3.89Å; V223-W288 HydrophobicContact CG2-CZ3 3.52Å; G247-W288 CarbonylContact O-C 3.54Å; G247-W288 WeakPolarHBondContact O-CA 3.48Å; D249-W288 HydrophobicContact CB-CE3 4.13Å; D249-W288 HydrophobicContact CB-CZ3 4.12Å; L255-W288 HydrophobicContact CB-CH2 4.35Å; A256-W288 HydrophobicContact CB-CB 3.66Å; A256-W288 HydrophobicContact CB-CD2 3.7Å; A256-W288 HydrophobicContact CB-CE3 3.62Å; A256-W288 HydrophobicContact CB-CG 3.75Å; A256-W288 HydrophobicContact CB-CZ3 4.38Å; T282-W288 HydrophobicContact CG2-CZ2 4.15Å; I285-W288 HydrophobicContact CD1-CH2 3.61Å; I285-W288 HydrophobicContact CD1-CZ2 3.3Å; I285-W288 HydrophobicContact CD1-CZ3 4.47Å; I285-W288 HydrophobicContact CG1-CZ2 4.49Å; I285-W288 HydrophobicContact CG2-CD2 4.13Å; I285-W288 HydrophobicContact CG2-CG 4.39Å; I285-W288 HydrophobicContact CG2-CZ2 4.26Å
289	C	96.9	Very high	96.5	Very high	8 Å²	8	41.2 Å²	41.2	5%	0.054	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	123.8	172.8	-176.7	0	0	0	0	109.7	V246 G247 V248 D249 G321 R324	V246-C289 HydrophobicContact CG1-CB 4.32Å; G247-C289 PolarHBondContact O-N 3.14Å; V248-C289 WeakPolarHBondContact CA-O 3.34Å; V248-C289 HydrophobicContact CG2-CB 4.33Å; D249-C289 PolarHBondContact N-O 2.65Å; C289-G321 WeakPolarHBondContact SG-CA 3.25Å; C289-R324 PolarHBondContact SG-NH1 3.27Å
290	K	96.4	Very high	96.6	Very high	44 Å²	44	40.7 Å²	40.7	19%	0.191	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	131.3	175.2	-74.2	-65	-155.1	176.3	0	111.2	D249 P250 I251 S253 A256 R324	D249-K290 HydrophobicContact CB-CD 4.23Å; D249-K290 CarbonylContact O-C 3.58Å; D249-K290 WeakPolarHBondContact O-CA 3.42Å; D249-K290 WeakPolarHBondContact O-CD 3.38Å; D249-K290 IonicContact OD2-NZ 3.66Å; D249-K290 PolarHBondContact OD2-NZ 2.89Å; P250-K290 PolarHBondContact O-NZ 3.38Å; P250-K290 VanDerWaalsContact O-NZ 3.1Å; I251-K290 HydrophobicContact CG1-CB 4.11Å; S253-K290 PolarHBondContact O-NZ 3.07Å; A256-K290 HydrophobicContact CB-CD 3.98Å; K290-R324 PolarHBondContact O-NH1 3.35Å
291	T	97.5	Very high	96.7	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	143.5	175	57.3	0	0	0	0	113.9	V248 D249 P250 I251 E295 S296 A317 A320	V248-T291 HydrophobicContact CG1-CG2 3.71Å; D249-T291 PolarHBondContact O-N 3.47Å; P250-T291 CarbonylContact C-O 3.54Å; P250-T291 WeakPolarHBondContact CA-O 3.39Å; I251-T291 PolarHBondContact N-O 2.93Å; T291-E295 WeakPolarHBondContact CA-OE1 3.1Å; T291-E295 WeakPolarHBondContact CB-OE1 3.29Å; T291-S296 PolarHBondContact OG1-OG 3.49Å; T291-A317 WeakPolarHBondContact OG1-CB 3.44Å; T291-A320 HydrophobicContact CG2-CB 4.42Å
292	S	97	Very high	96.9	Very high	39 Å²	39	44 Å²	44	27%	0.273	22%	0.216	S	C	.	.			trans	-79.7	158.8	171.1	70.3	0	0	0	0	111.4	H294 E295 S296	S292-H294 VanDerWaalsContact C-N 3.31Å; S292-H294 PolarHBondContact O-N 3.27Å; S292-E295 PolarHBondContact N-OE1 3.09Å; S292-E295 WeakPolarHBondContact OG-CG 3.24Å; S292-E295 PolarHBondContact OG-N 2.78Å; S292-S296 WeakPolarHBondContact O-CB 3.48Å; S292-S296 PolarHBondContact O-N 2.58Å; S292-S296 PolarHBondContact O-OG 3.28Å
293	D	97.1	Very high	97.2	Very high	22 Å²	22	41 Å²	41	12%	0.118	20%	0.198	C	C	.	.	H	α-helix	trans	-58.8	-43.8	172.6	-72.7	-38.7	0	0	0	111.9	Y266 D267 V268 S296 F297 Y363	Y266-D293 WeakPolarHBondContact CA-OD2 3.32Å; D267-D293 PolarHBondContact N-OD1 2.9Å; D267-D293 PolarHBondContact N-OD2 2.64Å; V268-D293 HydrophobicContact CG2-CB 4.48Å; V268-D293 WeakPolarHBondContact CG2-OD1 3.34Å; V268-D293 PolarHBondContact N-OD1 3.29Å; D293-S296 PolarHBondContact O-N 3.38Å; D293-F297 HydrophobicContact CB-CD2 4.19Å; D293-F297 HydrophobicContact CB-CE2 3.87Å; D293-F297 WeakPolarHBondContact O-CD2 3.3Å; D293-F297 WeakPolarHBondContact O-CG 3.25Å; D293-F297 PolarHBondContact O-N 2.97Å; D293-Y363 HydrophobicContact CB-CE1 3.81Å; D293-Y363 HydrophobicContact CB-CE2 4.22Å; D293-Y363 VanDerWaalsContact CB-CZ 3.48Å; D293-Y363 WeakPolarHBondContact CB-OH 3.24Å; D293-Y363 PolarHBondContact OD2-OH 2.95Å
294	H	97.3	Very high	97.5	Very high	82 Å²	82	36.5 Å²	36.5	38%	0.38	17%	0.173	S	C	.	.	H	α-helix	trans	-55.3	-58	-177.5	180	-93.2	0	0	0	111.7	S292 S296 F297 E298 Y363	S292-H294 VanDerWaalsContact C-N 3.31Å; S292-H294 PolarHBondContact O-N 3.27Å; H294-S296 VanDerWaalsContact C-N 3.26Å; H294-S296 PolarHBondContact O-N 2.58Å; H294-F297 PolarHBondContact O-N 3.09Å; H294-E298 IonicContact CE1-OE2 2.71Å; H294-E298 PolarHBondContact CE1-OE2 2.96Å; H294-E298 IonicContact ND1-OE2 3.59Å; H294-E298 WeakPolarHBondContact O-CB 3.49Å; H294-E298 PolarHBondContact O-N 3.39Å; H294-Y363 HydrophobicContact CB-CD1 4.06Å; H294-Y363 PolarHBondContact NE2-O 3.32Å
295	E	97.5	Very high	97.7	Very high	47 Å²	47	43.6 Å²	43.6	22%	0.22	20%	0.203	C	C	.	.	H	α-helix	trans	-66.1	-31.7	-178.4	74.4	-173.6	153.9	0	0	112.1	T291 S292 M299 A320 R324	T291-E295 WeakPolarHBondContact CA-OE1 3.1Å; T291-E295 WeakPolarHBondContact CB-OE1 3.29Å; S292-E295 PolarHBondContact N-OE1 3.09Å; S292-E295 WeakPolarHBondContact OG-CG 3.24Å; S292-E295 PolarHBondContact OG-N 2.78Å; E295-M299 WeakPolarHBondContact O-CB 3.46Å; E295-M299 PolarHBondContact O-N 2.76Å; E295-A320 HydrophobicContact CG-CB 4.38Å; E295-R324 IonicContact OE1-CZ 3.46Å; E295-R324 IonicContact OE1-NH2 3.2Å; E295-R324 PolarHBondContact OE1-NH2 3.49Å; E295-R324 IonicContact OE2-CZ 3.34Å; E295-R324 IonicContact OE2-NH2 2.64Å; E295-R324 PolarHBondContact OE2-NH2 3.14Å
296	S	98.6	Very high	97.8	Very high	1 Å²	1	44 Å²	44	1%	0.007	21%	0.205	C	C	.	.	H	α-helix	trans	-65.4	-45.2	177.6	-58.2	0	0	0	0	111	T291 S292 D293 H294 A300 G316 A317	T291-S296 PolarHBondContact OG1-OG 3.49Å; S292-S296 WeakPolarHBondContact O-CB 3.48Å; S292-S296 PolarHBondContact O-N 2.58Å; S292-S296 PolarHBondContact O-OG 3.28Å; D293-S296 PolarHBondContact O-N 3.38Å; H294-S296 VanDerWaalsContact C-N 3.26Å; H294-S296 PolarHBondContact O-N 2.58Å; S296-A300 WeakPolarHBondContact O-CB 3.33Å; S296-A300 PolarHBondContact O-N 3.18Å; S296-G316 WeakPolarHBondContact O-CA 3.34Å; S296-A317 WeakPolarHBondContact OG-CB 3.31Å
297	F	98.5	Very high	97.9	Very high	7 Å²	7	42.2 Å²	42.2	3%	0.031	19%	0.194	C	C	.	.	H	α-helix	trans	-74.4	-37.7	178.7	-65.5	-47.2	0	0	0	113.1	D267 V268 D293 H294 A300 R301 F352 W357 M358 Y363	D267-F297 HydrophobicContact CB-CE2 3.72Å; D267-F297 HydrophobicContact CB-CZ 3.86Å; V268-F297 HydrophobicContact CB-CZ 4.31Å; V268-F297 HydrophobicContact CG2-CD1 4.41Å; V268-F297 HydrophobicContact CG2-CE1 3.84Å; V268-F297 HydrophobicContact CG2-CE2 4.06Å; V268-F297 HydrophobicContact CG2-CZ 3.64Å; D293-F297 HydrophobicContact CB-CD2 4.19Å; D293-F297 HydrophobicContact CB-CE2 3.87Å; D293-F297 WeakPolarHBondContact O-CD2 3.3Å; D293-F297 WeakPolarHBondContact O-CG 3.25Å; D293-F297 PolarHBondContact O-N 2.97Å; H294-F297 PolarHBondContact O-N 3.09Å; F297-A300 PolarHBondContact O-N 2.93Å; F297-R301 WeakPolarHBondContact O-CG 3.45Å; F297-R301 PolarHBondContact O-N 2.95Å; F297-F352 HydrophobicContact CB-CB 3.98Å; F297-F352 HydrophobicContact CB-CG 4.46Å; F297-F352 HydrophobicContact CD1-CB 3.36Å; F297-F352 AromaticContact CD1-CD1 3.85Å; F297-F352 HydrophobicContact CD1-CD1 3.85Å; F297-F352 HydrophobicContact CD1-CD2 4.18Å; F297-F352 AromaticContact CD1-CG 3.54Å; F297-F352 HydrophobicContact CD1-CG 3.54Å; F297-F352 HydrophobicContact CD2-CB 4.46Å; F297-F352 HydrophobicContact CE1-CB 3.92Å; F297-F352 HydrophobicContact CE1-CD1 4.02Å; F297-F352 HydrophobicContact CE1-CG 4.12Å; F297-F352 HydrophobicContact CG-CB 3.68Å; F297-F352 HydrophobicContact CG-CG 4.25Å; F297-W357 HydrophobicContact CD2-CH2 4.27Å; F297-W357 HydrophobicContact CD2-CZ3 4.09Å; F297-W357 AromaticContact CE2-CH2 3.65Å; F297-W357 HydrophobicContact CE2-CH2 3.65Å; F297-W357 AromaticContact CE2-CZ3 3.93Å; F297-W357 HydrophobicContact CE2-CZ3 3.93Å; F297-W357 AromaticContact CZ-CH2 3.79Å; F297-W357 HydrophobicContact CZ-CH2 3.79Å; F297-W357 HydrophobicContact CZ-CZ3 4.27Å; F297-M358 HydrophobicContact CB-CE 3.88Å; F297-M358 HydrophobicContact CB-SD 3.93Å; F297-M358 HydrophobicContact CG-SD 4.39Å; F297-Y363 AromaticContact CD2-CD2 3.71Å; F297-Y363 HydrophobicContact CD2-CD2 3.71Å; F297-Y363 AromaticContact CD2-CE2 3.65Å; F297-Y363 HydrophobicContact CD2-CE2 3.65Å; F297-Y363 HydrophobicContact CE2-CD2 4.11Å; F297-Y363 AromaticContact CE2-CE2 3.57Å; F297-Y363 HydrophobicContact CE2-CE2 3.57Å
298	E	97.8	Very high	97.9	Very high	95 Å²	95	41.6 Å²	41.6	44%	0.444	21%	0.208	S	C	.	.	H	α-helix	trans	-59	-50.9	173.4	-175.9	178.5	-174.9	0	0	110.6	H294 A300 R301 R302	H294-E298 IonicContact CE1-OE2 2.71Å; H294-E298 PolarHBondContact CE1-OE2 2.96Å; H294-E298 IonicContact ND1-OE2 3.59Å; H294-E298 WeakPolarHBondContact O-CB 3.49Å; H294-E298 PolarHBondContact O-N 3.39Å; E298-A300 PolarHBondContact O-N 3.13Å; E298-R301 PolarHBondContact O-N 2.66Å; E298-R302 WeakPolarHBondContact O-CG 3.39Å; E298-R302 PolarHBondContact O-N 3.39Å
299	M	98.7	Very high	98	Very high	11 Å²	11	38.8 Å²	38.8	5%	0.054	20%	0.198	C	C	.	.	H	α-helix	trans	-63.7	-38.7	177.7	-174	57.3	63.5	0	0	112.3	I57 E295 R301 R302 L303 G316 V319 A320 I323	I57-M299 HydrophobicContact CD1-SD 4.11Å; I57-M299 HydrophobicContact CG2-SD 4.26Å; E295-M299 WeakPolarHBondContact O-CB 3.46Å; E295-M299 PolarHBondContact O-N 2.76Å; M299-R301 VanDerWaalsContact C-N 3.32Å; M299-R301 PolarHBondContact O-N 2.67Å; M299-R302 WeakPolarHBondContact O-CB 3.48Å; M299-R302 PolarHBondContact O-N 2.77Å; M299-R302 HydrophobicContact SD-CB 4.4Å; M299-L303 WeakPolarHBondContact O-CG 3.39Å; M299-L303 PolarHBondContact O-N 2.89Å; M299-G316 WeakPolarHBondContact CG-O 3.34Å; M299-V319 HydrophobicContact CG-CB 3.9Å; M299-V319 HydrophobicContact CG-CG1 3.83Å; M299-V319 HydrophobicContact SD-CB 4.46Å; M299-V319 HydrophobicContact SD-CG1 3.72Å; M299-A320 HydrophobicContact CB-CB 4.39Å; M299-A320 HydrophobicContact CG-CB 4.45Å; M299-I323 HydrophobicContact CE-CD1 3.4Å; M299-I323 VanDerWaalsContact CE-CD1 3.4Å; M299-I323 HydrophobicContact SD-CD1 4.09Å
300	A	98.6	Very high	98	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61.6	-40.3	174.8	0	0	0	0	0	111.9	S296 F297 E298 L303 I304 F352	S296-A300 WeakPolarHBondContact O-CB 3.33Å; S296-A300 PolarHBondContact O-N 3.18Å; F297-A300 PolarHBondContact O-N 2.93Å; E298-A300 PolarHBondContact O-N 3.13Å; A300-L303 PolarHBondContact O-N 3.49Å; A300-I304 WeakPolarHBondContact O-CD1 3.2Å; A300-I304 VanDerWaalsContact O-CG1 3.31Å; A300-I304 WeakPolarHBondContact O-CG1 3.25Å; A300-I304 PolarHBondContact O-N 3.19Å; A300-F352 HydrophobicContact CB-CD2 4.32Å; A300-F352 HydrophobicContact CB-CE2 3.67Å; A300-F352 HydrophobicContact CB-CZ 4.05Å
301	R	98.5	Very high	98	Very high	67 Å²	67	39 Å²	39	25%	0.253	20%	0.203	S	C	.	.	H	α-helix	trans	-67.5	-35.1	174.1	-70.4	178.5	67.8	136.6	-3.2	112.4	F297 E298 M299 I304 H305 F352 N355	F297-R301 WeakPolarHBondContact O-CG 3.45Å; F297-R301 PolarHBondContact O-N 2.95Å; E298-R301 PolarHBondContact O-N 2.66Å; M299-R301 VanDerWaalsContact C-N 3.32Å; M299-R301 PolarHBondContact O-N 2.67Å; R301-I304 PolarHBondContact O-N 3.44Å; R301-H305 VanDerWaalsContact O-CB 3.3Å; R301-H305 WeakPolarHBondContact O-CB 3.29Å; R301-H305 PolarHBondContact O-N 3.21Å; R301-F352 WeakPolarHBondContact CD-O 3.26Å; R301-F352 HydrophobicContact CG-CD2 3.89Å; R301-F352 HydrophobicContact CG-CE2 4.2Å; R301-F352 PolarHBondContact NH1-O 3.32Å; R301-N355 VanDerWaalsContact CZ-OD1 3.27Å; R301-N355 PolarHBondContact NH1-OD1 3.24Å; R301-N355 PolarHBondContact NH2-OD1 3.41Å
302	R	98.5	Very high	97.9	Very high	46 Å²	46	39 Å²	39	17%	0.174	20%	0.203	C	C	.	.	H	α-helix	trans	-65.9	-43.2	173.5	-71.1	179	60.4	-162.8	-6.1	112.1	I57 E61 E298 M299 I304 H305 E306	I57-R302 HydrophobicContact CD1-CB 3.74Å; E61-R302 IonicContact OE1-CZ 3.53Å; E61-R302 IonicContact OE1-NH1 2.77Å; E61-R302 PolarHBondContact OE1-NH1 3.32Å; E61-R302 IonicContact OE1-NH2 3.59Å; E61-R302 PolarHBondContact OE1-NH2 3.48Å; E61-R302 VanDerWaalsContact OE1-NH2 3.15Å; E298-R302 WeakPolarHBondContact O-CG 3.39Å; E298-R302 PolarHBondContact O-N 3.39Å; M299-R302 WeakPolarHBondContact O-CB 3.48Å; M299-R302 PolarHBondContact O-N 2.77Å; M299-R302 HydrophobicContact SD-CB 4.4Å; R302-I304 PolarHBondContact O-N 2.96Å; R302-H305 PolarHBondContact O-N 3.46Å; R302-E306 WeakPolarHBondContact CB-OE1 3.5Å; R302-E306 VanDerWaalsContact CG-OE1 3.25Å; R302-E306 WeakPolarHBondContact CG-OE1 3.33Å; R302-E306 IonicContact CZ-OE1 3.33Å; R302-E306 IonicContact NE-OE1 3.21Å; R302-E306 PolarHBondContact NE-OE1 3.37Å; R302-E306 IonicContact NH2-OE1 3.18Å; R302-E306 IonicContact NH2-OE2 2.67Å; R302-E306 WeakPolarHBondContact O-CA 3.17Å; R302-E306 WeakPolarHBondContact O-CB 3.45Å; R302-E306 WeakPolarHBondContact O-CG 3.32Å; R302-E306 PolarHBondContact O-N 3.39Å
303	L	98.7	Very high	98	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-56.2	-39.9	172.3	-74.1	165.4	0	0	0	112	L54 I57 M299 A300 E307 G308 L309 C311 V319 L341	L54-L303 HydrophobicContact CD1-CD2 4.14Å; L54-L303 HydrophobicContact CD2-CD2 4.1Å; I57-L303 HydrophobicContact CG1-CD2 4.39Å; M299-L303 WeakPolarHBondContact O-CG 3.39Å; M299-L303 PolarHBondContact O-N 2.89Å; A300-L303 PolarHBondContact O-N 3.49Å; L303-E307 HydrophobicContact CD2-CG 4.49Å; L303-E307 CarbonylContact O-C 3.53Å; L303-E307 WeakPolarHBondContact O-CA 3.42Å; L303-E307 WeakPolarHBondContact O-CB 3.45Å; L303-E307 PolarHBondContact O-N 2.84Å; L303-G308 PolarHBondContact O-N 2.87Å; L303-L309 PolarHBondContact O-N 2.94Å; L303-C311 WeakPolarHBondContact CB-SG 3.27Å; L303-C311 WeakPolarHBondContact CD1-SG 3.35Å; L303-V319 HydrophobicContact CD1-CB 4.29Å; L303-V319 HydrophobicContact CD1-CG2 3.88Å; L303-V319 HydrophobicContact CD2-CG2 4.23Å; L303-L341 HydrophobicContact CD1-CD2 4.43Å
304	I	98.3	Very high	98	Very high	51 Å²	51	36.3 Å²	36.3	26%	0.262	19%	0.187	S	C	.	.	H	α-helix	trans	-69	-49.4	176	-62.9	162.1	0	0	0	111.2	A300 R301 R302 G308 L309 V345 F352 L353	A300-I304 WeakPolarHBondContact O-CD1 3.2Å; A300-I304 VanDerWaalsContact O-CG1 3.31Å; A300-I304 WeakPolarHBondContact O-CG1 3.25Å; A300-I304 PolarHBondContact O-N 3.19Å; R301-I304 PolarHBondContact O-N 3.44Å; R302-I304 PolarHBondContact O-N 2.96Å; I304-G308 WeakPolarHBondContact O-CA 3.33Å; I304-G308 PolarHBondContact O-N 2.96Å; I304-G308 VanDerWaalsContact O-N 3.1Å; I304-L309 WeakPolarHBondContact CA-O 3.28Å; I304-L309 WeakPolarHBondContact CG1-O 3.36Å; I304-V345 HydrophobicContact CD1-CG1 3.68Å; I304-V345 HydrophobicContact CG1-CG1 4.43Å; I304-F352 HydrophobicContact CD1-CE2 4.1Å; I304-F352 HydrophobicContact CD1-CZ 4.43Å; I304-L353 HydrophobicContact CD1-CD2 3.5Å; I304-L353 VanDerWaalsContact CD1-CD2 3.5Å
305	H	98.2	Very high	98.1	Very high	160 Å²	160	32.4 Å²	32.4	74%	0.741	17%	0.169	S	C	*	.	H	α-helix	trans	-75.6	-43.9	-171.7	-179	60.8	0	0	0	113.1	R301 R302	R301-H305 VanDerWaalsContact O-CB 3.3Å; R301-H305 WeakPolarHBondContact O-CB 3.29Å; R301-H305 PolarHBondContact O-N 3.21Å; R302-H305 PolarHBondContact O-N 3.46Å
306	E	98.5	Very high	98.1	Very high	26 Å²	26	30.2 Å²	30.2	12%	0.121	16%	0.159	C	C	.	.	H	α-helix	trans	-86	-46.3	-174.1	-58.4	177.3	-144	0	0	110.4	R56 I57 H60 R302	R56-E306 HydrophobicContact CB-CB 4.28Å; R56-E306 WeakPolarHBondContact CD-O 3.23Å; R56-E306 PolarHBondContact NH1-O 3.06Å; I57-E306 HydrophobicContact CD1-CB 4.28Å; I57-E306 HydrophobicContact CD1-CG 4.5Å; I57-E306 WeakPolarHBondContact CD1-OE2 3.44Å; H60-E306 IonicContact CE1-OE2 2.58Å; H60-E306 PolarHBondContact CE1-OE2 2.67Å; H60-E306 IonicContact CG-OE2 3.9Å; H60-E306 IonicContact ND1-OE2 2.76Å; H60-E306 PolarHBondContact ND1-OE2 3.46Å; R302-E306 WeakPolarHBondContact CB-OE1 3.5Å; R302-E306 VanDerWaalsContact CG-OE1 3.25Å; R302-E306 WeakPolarHBondContact CG-OE1 3.33Å; R302-E306 IonicContact CZ-OE1 3.33Å; R302-E306 IonicContact NE-OE1 3.21Å; R302-E306 PolarHBondContact NE-OE1 3.37Å; R302-E306 IonicContact NH2-OE1 3.18Å; R302-E306 IonicContact NH2-OE2 2.67Å; R302-E306 WeakPolarHBondContact O-CA 3.17Å; R302-E306 WeakPolarHBondContact O-CB 3.45Å; R302-E306 WeakPolarHBondContact O-CG 3.32Å; R302-E306 PolarHBondContact O-N 3.39Å
307	E	98.4	Very high	98.1	Very high	37 Å²	37	30.1 Å²	30.1	17%	0.173	16%	0.158	C	C	.	.	H	α-helix	trans	-100.2	-9.8	-175.2	-52.3	-66.5	-174.3	0	0	114	L54 D55 R56 I57 L303 L309	L54-E307 WeakPolarHBondContact CA-OE1 3.45Å; L54-E307 HydrophobicContact CD2-CG 4.16Å; D55-E307 PolarHBondContact N-OE1 2.68Å; R56-E307 WeakPolarHBondContact CA-OE1 3.34Å; R56-E307 WeakPolarHBondContact CB-OE1 3.48Å; R56-E307 PolarHBondContact N-OE1 2.67Å; I57-E307 HydrophobicContact CG1-CG 3.76Å; I57-E307 PolarHBondContact N-OE1 3.11Å; L303-E307 HydrophobicContact CD2-CG 4.49Å; L303-E307 CarbonylContact O-C 3.53Å; L303-E307 WeakPolarHBondContact O-CA 3.42Å; L303-E307 WeakPolarHBondContact O-CB 3.45Å; L303-E307 PolarHBondContact O-N 2.84Å; E307-L309 VanDerWaalsContact C-N 3.3Å; E307-L309 HydrophobicContact CB-CD1 3.93Å; E307-L309 HydrophobicContact CB-CG 3.82Å
308	G	98	Very high	98.1	Very high	57 Å²	57	29.8 Å²	29.8	59%	0.588	16%	0.157	S	C	*	.			trans	72.8	22.1	-176.8	0	0	0	0	0	113.7	L303 I304 P310	L303-G308 PolarHBondContact O-N 2.87Å; I304-G308 WeakPolarHBondContact O-CA 3.33Å; I304-G308 PolarHBondContact O-N 2.96Å; I304-G308 VanDerWaalsContact O-N 3.1Å; G308-P310 WeakPolarHBondContact O-CD 3.35Å
309	L	98.4	Very high	98.2	Very high	14 Å²	14	25.3 Å²	25.3	7%	0.073	14%	0.136	C	C	.	.			trans	-99.1	112.3	-174.8	-57.3	179.3	0	0	0	111.4	I52 L54 F73 L303 I304 E307 C311 L341	I52-L309 HydrophobicContact CD1-CD2 3.79Å; I52-L309 HydrophobicContact CG2-CD1 3.86Å; I52-L309 HydrophobicContact CG2-CD2 4.44Å; L54-L309 HydrophobicContact CD2-CD1 3.46Å; L54-L309 VanDerWaalsContact CD2-CD1 3.46Å; F73-L309 HydrophobicContact CE1-CB 4.49Å; F73-L309 HydrophobicContact CZ-CB 4.16Å; F73-L309 HydrophobicContact CZ-CD2 4.08Å; L303-L309 PolarHBondContact O-N 2.94Å; I304-L309 WeakPolarHBondContact CA-O 3.28Å; I304-L309 WeakPolarHBondContact CG1-O 3.36Å; E307-L309 VanDerWaalsContact C-N 3.3Å; E307-L309 HydrophobicContact CB-CD1 3.93Å; E307-L309 HydrophobicContact CB-CG 3.82Å; L309-C311 PolarHBondContact O-N 3.33Å; L309-L341 HydrophobicContact CD1-CD1 4.06Å
310	P	97.1	Very high	98.2	Very high	56 Å²	56	25.2 Å²	25.2	36%	0.364	14%	0.137	S	C	.	.			trans	-78.7	62.3	-174.9	34.8	-38.3	0	0	0	112	F73 G308 N344 V345	F73-P310 HydrophobicContact CD2-CG 4.41Å; F73-P310 HydrophobicContact CE2-CG 4.15Å; G308-P310 WeakPolarHBondContact O-CD 3.35Å; P310-N344 CarbonylContact O-C 3.54Å; P310-N344 WeakPolarHBondContact O-CA 3.11Å; P310-N344 WeakPolarHBondContact O-CB 3.18Å; P310-V345 HydrophobicContact CB-CG2 3.84Å; P310-V345 PolarHBondContact O-N 3.45Å
311	C	96.4	Very high	98.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.137	C	C	.	.	B	Isolated β-bridge	trans	-102.2	153.4	-173.5	65	0	0	0	0	114.4	F73 L303 L309 S315 D343 V345	F73-C311 HydrophobicContact CD1-CB 4.08Å; F73-C311 HydrophobicContact CE1-CB 4.35Å; L303-C311 WeakPolarHBondContact CB-SG 3.27Å; L303-C311 WeakPolarHBondContact CD1-SG 3.35Å; L309-C311 PolarHBondContact O-N 3.33Å; C311-S315 WeakPolarHBondContact CB-OG 3.42Å; C311-D343 CarbonylContact C-O 3.52Å; C311-D343 WeakPolarHBondContact CA-O 3.36Å; C311-V345 VanDerWaalsContact O-CG1 3.29Å; C311-V345 WeakPolarHBondContact O-CG1 3.34Å
312	G	96.9	Very high	98.2	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.125	C	C	.	.			trans	-76.6	172	179.4	0	0	0	0	0	115.1	S314 S315 G316 D343	G312-S314 PolarHBondContact O-N 3.29Å; G312-S315 VanDerWaalsContact O-CB 3.25Å; G312-S315 WeakPolarHBondContact O-CB 3.42Å; G312-S315 PolarHBondContact O-N 3.33Å; G312-G316 PolarHBondContact O-N 3.46Å; G312-D343 PolarHBondContact N-O 2.91Å
313	G	97.6	Very high	98.2	Very high	2 Å²	2	20.3 Å²	20.3	2%	0.021	12%	0.119	C	C	.	.	H	α-helix	trans	-58.1	-30.6	-179.2	0	0	0	0	0	114.6	S315 G316 A317	G313-S315 VanDerWaalsContact C-N 3.26Å; G313-S315 PolarHBondContact O-N 3.24Å; G313-G316 PolarHBondContact O-N 2.66Å; G313-A317 PolarHBondContact O-N 3.4Å
314	S	97.7	Very high	98.2	Very high	4 Å²	4	24.9 Å²	24.9	3%	0.028	14%	0.136	C	C	.	.	H	α-helix	trans	-63.9	-31.1	174.8	64.4	0	0	0	0	112.9	G312 A318 D343	G312-S314 PolarHBondContact O-N 3.29Å; S314-A318 WeakPolarHBondContact O-CB 3.06Å; S314-A318 PolarHBondContact O-N 2.82Å; S314-D343 PolarHBondContact OG-OD1 3.18Å
315	S	98.7	Very high	98.2	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-69.9	-41.6	173.5	-55.8	0	0	0	0	111	C311 G312 G313 A318 V319 L341 P342	C311-S315 WeakPolarHBondContact CB-OG 3.42Å; G312-S315 VanDerWaalsContact O-CB 3.25Å; G312-S315 WeakPolarHBondContact O-CB 3.42Å; G312-S315 PolarHBondContact O-N 3.33Å; G313-S315 VanDerWaalsContact C-N 3.26Å; G313-S315 PolarHBondContact O-N 3.24Å; S315-A318 PolarHBondContact O-N 3.36Å; S315-V319 WeakPolarHBondContact O-CG2 3.34Å; S315-V319 PolarHBondContact O-N 3.23Å; S315-L341 WeakPolarHBondContact OG-CA 3.23Å; S315-P342 WeakPolarHBondContact OG-CD 3.25Å
316	G	98.7	Very high	98.2	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.3	-42.1	174.3	0	0	0	0	0	112.4	S296 M299 G312 G313 V319 A320	S296-G316 WeakPolarHBondContact O-CA 3.34Å; M299-G316 WeakPolarHBondContact CG-O 3.34Å; G312-G316 PolarHBondContact O-N 3.46Å; G313-G316 PolarHBondContact O-N 2.66Å; G316-V319 PolarHBondContact O-N 3.25Å; G316-A320 VanDerWaalsContact O-CB 3.3Å; G316-A320 WeakPolarHBondContact O-CB 3.23Å; G316-A320 PolarHBondContact O-N 3.13Å
317	A	98.7	Very high	98.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-56.7	-50.7	171.1	0	0	0	0	0	111.5	V248 I271 T291 S296 G313 V319 A320 G321	V248-A317 HydrophobicContact CG1-CB 4.14Å; I271-A317 HydrophobicContact CD1-CB 3.91Å; T291-A317 WeakPolarHBondContact OG1-CB 3.44Å; S296-A317 WeakPolarHBondContact OG-CB 3.31Å; G313-A317 PolarHBondContact O-N 3.4Å; A317-V319 VanDerWaalsContact C-N 3.35Å; A317-V319 PolarHBondContact O-N 2.63Å; A317-A320 PolarHBondContact O-N 2.94Å; A317-G321 PolarHBondContact O-N 2.93Å
318	A	98.8	Very high	98.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-58.8	-44.4	-179.2	0	0	0	0	0	112.3	V220 S314 S315 G321 A322 V339	V220-A318 WeakPolarHBondContact CG1-O 3.43Å; S314-A318 WeakPolarHBondContact O-CB 3.06Å; S314-A318 PolarHBondContact O-N 2.82Å; S315-A318 PolarHBondContact O-N 3.36Å; A318-G321 PolarHBondContact O-N 2.99Å; A318-A322 WeakPolarHBondContact O-CB 3.35Å; A318-A322 PolarHBondContact O-N 2.9Å; A318-V339 HydrophobicContact CB-CG1 3.54Å
319	V	98.9	Very high	98.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-70.1	-42.4	178.9	173	0	0	0	0	111.7	L54 I57 M299 L303 S315 G316 A317 G321 A322 I323 V339 L341	L54-V319 HydrophobicContact CD1-CG2 4.17Å; I57-V319 HydrophobicContact CG2-CG1 4.24Å; M299-V319 HydrophobicContact CG-CB 3.9Å; M299-V319 HydrophobicContact CG-CG1 3.83Å; M299-V319 HydrophobicContact SD-CB 4.46Å; M299-V319 HydrophobicContact SD-CG1 3.72Å; L303-V319 HydrophobicContact CD1-CB 4.29Å; L303-V319 HydrophobicContact CD1-CG2 3.88Å; L303-V319 HydrophobicContact CD2-CG2 4.23Å; S315-V319 WeakPolarHBondContact O-CG2 3.34Å; S315-V319 PolarHBondContact O-N 3.23Å; G316-V319 PolarHBondContact O-N 3.25Å; A317-V319 VanDerWaalsContact C-N 3.35Å; A317-V319 PolarHBondContact O-N 2.63Å; V319-G321 VanDerWaalsContact C-N 3.31Å; V319-G321 PolarHBondContact O-N 3.42Å; V319-A322 WeakPolarHBondContact O-CB 3.32Å; V319-A322 PolarHBondContact O-N 2.91Å; V319-A322 VanDerWaalsContact O-N 3.17Å; V319-I323 HydrophobicContact CG1-CD1 3.71Å; V319-I323 HydrophobicContact CG1-CG1 4.35Å; V319-I323 WeakPolarHBondContact O-CD1 3.35Å; V319-I323 VanDerWaalsContact O-CG1 3.31Å; V319-I323 WeakPolarHBondContact O-CG1 3.35Å; V319-I323 PolarHBondContact O-N 3.12Å; V319-V339 HydrophobicContact CG2-CB 4.34Å; V319-V339 HydrophobicContact CG2-CG1 3.81Å; V319-L341 HydrophobicContact CG2-CD2 3.79Å
320	A	98.7	Very high	97.9	Very high	9 Å²	9	26.6 Å²	26.6	7%	0.074	15%	0.145	C	C	.	.	H	α-helix	trans	-59.2	-43.4	174.6	0	0	0	0	0	111.6	T291 E295 M299 G316 A317 I323 R324	T291-A320 HydrophobicContact CG2-CB 4.42Å; E295-A320 HydrophobicContact CG-CB 4.38Å; M299-A320 HydrophobicContact CB-CB 4.39Å; M299-A320 HydrophobicContact CG-CB 4.45Å; G316-A320 VanDerWaalsContact O-CB 3.3Å; G316-A320 WeakPolarHBondContact O-CB 3.23Å; G316-A320 PolarHBondContact O-N 3.13Å; A317-A320 PolarHBondContact O-N 2.94Å; A320-I323 PolarHBondContact O-N 2.64Å; A320-R324 PolarHBondContact O-N 2.83Å
321	G	98.5	Very high	97.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-65.3	-37.5	174.9	0	0	0	0	0	113.5	C289 A317 A318 V319 T325	C289-G321 WeakPolarHBondContact SG-CA 3.25Å; A317-G321 PolarHBondContact O-N 2.93Å; A318-G321 PolarHBondContact O-N 2.99Å; V319-G321 VanDerWaalsContact C-N 3.31Å; V319-G321 PolarHBondContact O-N 3.42Å; G321-T325 WeakPolarHBondContact O-CB 3.4Å; G321-T325 PolarHBondContact O-N 3Å; G321-T325 PolarHBondContact O-OG1 2.82Å
322	A	98.7	Very high	97.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.8	-51.7	174.1	0	0	0	0	0	111.7	V220 A318 V319 R324 T325 I326 V339	V220-A322 HydrophobicContact CB-CB 4.11Å; V220-A322 HydrophobicContact CG1-CB 4.09Å; V220-A322 HydrophobicContact CG2-CB 3.74Å; A318-A322 WeakPolarHBondContact O-CB 3.35Å; A318-A322 PolarHBondContact O-N 2.9Å; V319-A322 WeakPolarHBondContact O-CB 3.32Å; V319-A322 PolarHBondContact O-N 2.91Å; V319-A322 VanDerWaalsContact O-N 3.17Å; A322-R324 VanDerWaalsContact C-N 3.32Å; A322-R324 PolarHBondContact O-N 3.44Å; A322-T325 PolarHBondContact O-N 2.96Å; A322-T325 VanDerWaalsContact O-N 3.14Å; A322-I326 WeakPolarHBondContact O-CB 3.17Å; A322-I326 WeakPolarHBondContact O-CD1 3.4Å; A322-I326 VanDerWaalsContact O-CG1 3.23Å; A322-I326 WeakPolarHBondContact O-CG1 3.33Å; A322-I326 PolarHBondContact O-N 3.08Å; A322-V339 HydrophobicContact CB-CG2 3.51Å
323	I	98.6	Very high	97.8	Very high	10 Å²	10	33.5 Å²	33.5	5%	0.051	18%	0.178	C	C	.	.	H	α-helix	trans	-54.5	-48.8	178.1	-70.6	158.1	0	0	0	110.7	I57 E61 I63 M299 V319 A320 T325 I326 K327	I57-I323 HydrophobicContact CG2-CD1 4.01Å; E61-I323 HydrophobicContact CB-CG2 4.31Å; E61-I323 HydrophobicContact CG-CD1 3.83Å; E61-I323 HydrophobicContact CG-CG1 4.27Å; E61-I323 HydrophobicContact CG-CG2 4.2Å; I63-I323 HydrophobicContact CD1-CB 4.05Å; I63-I323 HydrophobicContact CD1-CG1 3.6Å; I63-I323 HydrophobicContact CD1-CG2 4.03Å; M299-I323 HydrophobicContact CE-CD1 3.4Å; M299-I323 VanDerWaalsContact CE-CD1 3.4Å; M299-I323 HydrophobicContact SD-CD1 4.09Å; V319-I323 HydrophobicContact CG1-CD1 3.71Å; V319-I323 HydrophobicContact CG1-CG1 4.35Å; V319-I323 WeakPolarHBondContact O-CD1 3.35Å; V319-I323 VanDerWaalsContact O-CG1 3.31Å; V319-I323 WeakPolarHBondContact O-CG1 3.35Å; V319-I323 PolarHBondContact O-N 3.12Å; A320-I323 PolarHBondContact O-N 2.64Å; I323-T325 VanDerWaalsContact C-N 3.33Å; I323-T325 PolarHBondContact O-N 2.68Å; I323-I326 PolarHBondContact O-N 3.24Å; I323-K327 HydrophobicContact CG2-CD 4.07Å; I323-K327 WeakPolarHBondContact O-CG 3.3Å; I323-K327 PolarHBondContact O-N 3.2Å
324	R	98.1	Very high	97.6	Very high	96 Å²	96	39.9 Å²	39.9	36%	0.362	21%	0.212	S	C	.	.	H	α-helix	trans	-60.8	-43.8	179.1	-169.2	-177	-59.2	147.7	-2.4	111.8	C289 K290 E295 A320 A322 K327 Q328	C289-R324 PolarHBondContact SG-NH1 3.27Å; K290-R324 PolarHBondContact O-NH1 3.35Å; E295-R324 IonicContact OE1-CZ 3.46Å; E295-R324 IonicContact OE1-NH2 3.2Å; E295-R324 PolarHBondContact OE1-NH2 3.49Å; E295-R324 IonicContact OE2-CZ 3.34Å; E295-R324 IonicContact OE2-NH2 2.64Å; E295-R324 PolarHBondContact OE2-NH2 3.14Å; A320-R324 PolarHBondContact O-N 2.83Å; A322-R324 VanDerWaalsContact C-N 3.32Å; A322-R324 PolarHBondContact O-N 3.44Å; R324-K327 PolarHBondContact O-N 2.97Å; R324-Q328 WeakPolarHBondContact O-CB 3.49Å; R324-Q328 PolarHBondContact O-N 3.02Å
325	T	98.2	Very high	97.7	Very high	4 Å²	4	40.5 Å²	40.5	3%	0.025	22%	0.216	C	C	.	.	H	α-helix	trans	-70	-39.8	-178.9	-51.9	0	0	0	0	111.8	M218 V246 K287 G321 A322 I323 K327 Q328 L329	M218-T325 HydrophobicContact CE-CG2 4.45Å; M218-T325 HydrophobicContact SD-CG2 3.72Å; V246-T325 HydrophobicContact CG2-CG2 3.95Å; K287-T325 HydrophobicContact CD-CG2 4.11Å; G321-T325 WeakPolarHBondContact O-CB 3.4Å; G321-T325 PolarHBondContact O-N 3Å; G321-T325 PolarHBondContact O-OG1 2.82Å; A322-T325 PolarHBondContact O-N 2.96Å; A322-T325 VanDerWaalsContact O-N 3.14Å; I323-T325 VanDerWaalsContact C-N 3.33Å; I323-T325 PolarHBondContact O-N 2.68Å; T325-K327 PolarHBondContact O-N 3.3Å; T325-Q328 PolarHBondContact O-N 3.19Å; T325-L329 HydrophobicContact CG2-CD1 3.8Å; T325-L329 HydrophobicContact CG2-CG 4.3Å; T325-L329 WeakPolarHBondContact O-CB 3.38Å; T325-L329 WeakPolarHBondContact O-CG 3.15Å; T325-L329 PolarHBondContact O-N 3.21Å
326	I	98.4	Very high	97.6	Very high	5 Å²	5	42 Å²	42	3%	0.026	22%	0.222	C	C	.	.	H	α-helix	trans	-55.2	-52	172.5	-73.4	160.9	0	0	0	110.1	I63 L67 M218 A322 I323 Q328 L329 G330 L331 V337	I63-I326 HydrophobicContact CD1-CD1 4.08Å; I63-I326 HydrophobicContact CD1-CG2 4.32Å; I63-I326 HydrophobicContact CG1-CG2 4.11Å; I63-I326 HydrophobicContact CG2-CD1 4.4Å; I63-I326 HydrophobicContact CG2-CG2 4.06Å; L67-I326 HydrophobicContact CD1-CD1 4.08Å; M218-I326 HydrophobicContact CE-CD1 4.28Å; M218-I326 HydrophobicContact CE-CG1 3.6Å; A322-I326 WeakPolarHBondContact O-CB 3.17Å; A322-I326 WeakPolarHBondContact O-CD1 3.4Å; A322-I326 VanDerWaalsContact O-CG1 3.23Å; A322-I326 WeakPolarHBondContact O-CG1 3.33Å; A322-I326 PolarHBondContact O-N 3.08Å; I323-I326 PolarHBondContact O-N 3.24Å; I326-Q328 PolarHBondContact O-N 3.14Å; I326-L329 PolarHBondContact O-N 2.92Å; I326-G330 PolarHBondContact O-N 3.16Å; I326-L331 HydrophobicContact CG1-CD1 4.31Å; I326-L331 HydrophobicContact CG2-CB 4.31Å; I326-L331 PolarHBondContact O-N 2.77Å; I326-V337 HydrophobicContact CD1-CB 4.33Å; I326-V337 HydrophobicContact CD1-CG1 4.22Å; I326-V337 HydrophobicContact CD1-CG2 4.01Å; I326-V337 HydrophobicContact CG1-CG2 4.01Å
327	K	97.8	Very high	97.6	Very high	107 Å²	107	42 Å²	42	47%	0.465	22%	0.222	S	C	.	.	H	α-helix	trans	-63.4	-41.9	-179.6	-72.1	177.5	175.3	-179.9	0	111.8	E61 I323 R324 T325 L329 G330	E61-K327 WeakPolarHBondContact O-CE 3.42Å; E61-K327 PolarHBondContact O-NZ 3.09Å; E61-K327 IonicContact OE2-NZ 2.72Å; E61-K327 PolarHBondContact OE2-NZ 3.27Å; I323-K327 HydrophobicContact CG2-CD 4.07Å; I323-K327 WeakPolarHBondContact O-CG 3.3Å; I323-K327 PolarHBondContact O-N 3.2Å; R324-K327 PolarHBondContact O-N 2.97Å; T325-K327 PolarHBondContact O-N 3.3Å; K327-L329 VanDerWaalsContact C-N 3.32Å; K327-L329 PolarHBondContact O-N 3.02Å; K327-G330 PolarHBondContact O-N 3.15Å
328	Q	97.4	Very high	97.7	Very high	138 Å²	138	42 Å²	42	65%	0.645	22%	0.222	S	C	*	.	H	α-helix	trans	-64	-35.9	177.6	-174.4	-178.4	9.9	0	0	112.7	R324 T325 I326	R324-Q328 WeakPolarHBondContact O-CB 3.49Å; R324-Q328 PolarHBondContact O-N 3.02Å; T325-Q328 PolarHBondContact O-N 3.19Å; I326-Q328 PolarHBondContact O-N 3.14Å
329	L	97	Very high	97.7	Very high	63 Å²	63	42 Å²	42	33%	0.33	22%	0.222	S	C	.	.	H	α-helix	trans	-90.6	-12.2	-178.2	-67.6	178.8	0	0	0	114.1	L244 K287 T325 I326 K327 L331	L244-L329 HydrophobicContact CD1-CD1 3.43Å; L244-L329 VanDerWaalsContact CD1-CD1 3.43Å; K287-L329 HydrophobicContact CD-CD1 4.45Å; T325-L329 HydrophobicContact CG2-CD1 3.8Å; T325-L329 HydrophobicContact CG2-CG 4.3Å; T325-L329 WeakPolarHBondContact O-CB 3.38Å; T325-L329 WeakPolarHBondContact O-CG 3.15Å; T325-L329 PolarHBondContact O-N 3.21Å; I326-L329 PolarHBondContact O-N 2.92Å; K327-L329 VanDerWaalsContact C-N 3.32Å; K327-L329 PolarHBondContact O-N 3.02Å; L329-L331 VanDerWaalsContact C-N 3.35Å; L329-L331 HydrophobicContact CB-CD2 4.24Å; L329-L331 HydrophobicContact CB-CG 4.05Å
330	G	96	Very high	97.7	Very high	64 Å²	64	42 Å²	42	66%	0.66	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.6	36.8	-176.7	0	0	0	0	0	113	I326 K327 G332	I326-G330 PolarHBondContact O-N 3.16Å; K327-G330 PolarHBondContact O-N 3.15Å; G330-G332 PolarHBondContact O-N 3.42Å
331	L	96.5	Very high	97.7	Very high	33 Å²	33	41.6 Å²	41.6	17%	0.173	22%	0.218	C	C	.	.			trans	-67	125.9	177.1	-59.5	-177.4	0	0	0	110.2	C65 M218 I326 L329 V337	C65-L331 HydrophobicContact CB-CB 4.47Å; M218-L331 HydrophobicContact CB-CD1 4.37Å; M218-L331 HydrophobicContact CE-CD1 4.23Å; M218-L331 HydrophobicContact SD-CD1 4.26Å; I326-L331 HydrophobicContact CG1-CD1 4.31Å; I326-L331 HydrophobicContact CG2-CB 4.31Å; I326-L331 PolarHBondContact O-N 2.77Å; L329-L331 VanDerWaalsContact C-N 3.35Å; L329-L331 HydrophobicContact CB-CD2 4.24Å; L329-L331 HydrophobicContact CB-CG 4.05Å; L331-V337 HydrophobicContact CD1-CG2 4.09Å
332	G	95	Very high	97.7	Very high	25 Å²	25	42.2 Å²	42.2	26%	0.258	22%	0.222	S	C	.	.			trans	-108.7	-164.7	-175.7	0	0	0	0	0	114.1	C65 G330 N334 S335	C65-G332 WeakPolarHBondContact CA-O 3.46Å; C65-G332 VanDerWaalsContact CB-O 3.31Å; C65-G332 WeakPolarHBondContact CB-O 3.29Å; G330-G332 PolarHBondContact O-N 3.42Å; G332-N334 PolarHBondContact O-N 2.87Å; G332-S335 WeakPolarHBondContact O-CB 3.45Å; G332-S335 PolarHBondContact O-N 3.22Å
333	K	95.2	Very high	97.6	Very high	143 Å²	143	42.3 Å²	42.3	62%	0.622	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-25.2	-174	-63.8	-179.4	-175.7	167.3	0	116.7	E64 S335	E64-K333 HydrophobicContact CB-CG 3.79Å; E64-K333 WeakPolarHBondContact O-CA 3.24Å; E64-K333 WeakPolarHBondContact OE1-CE 3.25Å; E64-K333 IonicContact OE1-NZ 2.68Å; E64-K333 PolarHBondContact OE1-NZ 2.81Å; K333-S335 VanDerWaalsContact C-N 3.35Å
334	N	94.9	Very high	97.5	Very high	137 Å²	137	43.3 Å²	43.3	73%	0.733	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-10.5	-178.7	-67.8	-26.2	0	0	0	113.2	K215 G332	K215-N334 WeakPolarHBondContact CE-O 3.44Å; G332-N334 PolarHBondContact O-N 2.87Å
335	S	97.9	Very high	97.4	Very high	16 Å²	16	39.5 Å²	39.5	11%	0.112	22%	0.216	C	C	.	.			trans	-89.7	142.7	-178.2	-60	0	0	0	0	112	C65 E66 D217 G332 K333	C65-S335 WeakPolarHBondContact CB-O 3.33Å; E66-S335 PolarHBondContact N-O 3.34Å; D217-S335 VanDerWaalsContact OD2-CA 3.22Å; D217-S335 WeakPolarHBondContact OD2-CA 3.27Å; G332-S335 WeakPolarHBondContact O-CB 3.45Å; G332-S335 PolarHBondContact O-N 3.22Å; K333-S335 VanDerWaalsContact C-N 3.35Å
336	R	98.5	Very high	97.1	Very high	31 Å²	31	42.2 Å²	42.2	12%	0.117	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	130.9	167.8	-179.2	176.8	-65.9	159.7	-10.2	110.6	E66 L68 C207 K215 D217 M218	E66-R336 WeakPolarHBondContact O-CA 3.17Å; E66-R336 IonicContact OE1-NH2 3.98Å; E66-R336 IonicContact OE2-CZ 3.17Å; E66-R336 IonicContact OE2-NE 3.83Å; E66-R336 PolarHBondContact OE2-NE 3.08Å; E66-R336 IonicContact OE2-NH2 2.78Å; E66-R336 PolarHBondContact OE2-NH2 3.21Å; L68-R336 HydrophobicContact CD1-CG 3.97Å; L68-R336 HydrophobicContact CG-CG 4.41Å; C207-R336 PolarHBondContact O-NH1 3.08Å; K215-R336 HydrophobicContact CG-CB 4.11Å; K215-R336 VanDerWaalsContact O-CD 3.25Å; K215-R336 WeakPolarHBondContact O-CD 3.48Å; K215-R336 PolarHBondContact O-NH1 3.17Å; D217-R336 PolarHBondContact N-O 3.49Å; D217-R336 PolarHBondContact OD2-N 2.92Å; M218-R336 PolarHBondContact N-O 3.34Å
337	V	98.8	Very high	96.7	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	127.6	178.4	-177.6	0	0	0	0	109.7	E66 L67 L68 M218 V220 I326 L331 V339	E66-V337 PolarHBondContact O-N 2.76Å; L67-V337 HydrophobicContact CD1-CB 4.08Å; L67-V337 HydrophobicContact CD1-CG1 3.98Å; L68-V337 PolarHBondContact N-O 3.24Å; M218-V337 HydrophobicContact CB-CG1 4.19Å; M218-V337 HydrophobicContact CB-CG2 4.09Å; M218-V337 HydrophobicContact CE-CB 4.33Å; M218-V337 HydrophobicContact CE-CG1 3.44Å; M218-V337 VanDerWaalsContact CE-CG1 3.44Å; M218-V337 HydrophobicContact CE-CG2 3.91Å; M218-V337 HydrophobicContact CG-CG1 4.48Å; M218-V337 CarbonylContact O-C 3.59Å; M218-V337 VanDerWaalsContact O-CA 3.31Å; M218-V337 WeakPolarHBondContact O-CA 2.9Å; V220-V337 HydrophobicContact CG2-CG1 4.15Å; I326-V337 HydrophobicContact CD1-CB 4.33Å; I326-V337 HydrophobicContact CD1-CG1 4.22Å; I326-V337 HydrophobicContact CD1-CG2 4.01Å; I326-V337 HydrophobicContact CG1-CG2 4.01Å; L331-V337 HydrophobicContact CD1-CG2 4.09Å; V337-V339 HydrophobicContact CG1-CG2 4.26Å
338	V	98.9	Very high	96.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	126.7	173.2	173.2	0	0	0	0	109.8	L51 L68 K70 I203 L216 M218 L219 V220	L51-V338 HydrophobicContact CD1-CG2 4.45Å; L51-V338 HydrophobicContact CD2-CG1 3.77Å; L51-V338 HydrophobicContact CD2-CG2 4.2Å; L68-V338 HydrophobicContact CB-CG2 4.19Å; L68-V338 HydrophobicContact CD1-CG2 4.28Å; L68-V338 CarbonylContact O-C 3.45Å; L68-V338 WeakPolarHBondContact O-CA 3.47Å; K70-V338 HydrophobicContact CB-CG1 4.21Å; I203-V338 HydrophobicContact CD1-CG1 4.23Å; I203-V338 HydrophobicContact CG1-CG1 4.46Å; I203-V338 HydrophobicContact CG2-CG1 4.42Å; I203-V338 HydrophobicContact CG2-CG2 4.37Å; L216-V338 HydrophobicContact CD1-CB 3.9Å; L216-V338 HydrophobicContact CD1-CG2 3.5Å; M218-V338 PolarHBondContact O-N 2.98Å; L219-V338 CarbonylContact C-O 3.57Å; L219-V338 VanDerWaalsContact CA-O 3.31Å; L219-V338 WeakPolarHBondContact CA-O 3.36Å; V220-V338 PolarHBondContact N-O 3.07Å
339	V	98.9	Very high	96.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	130.3	176.2	-170.7	0	0	0	0	109.4	L67 L68 G69 K70 V220 A318 V319 A322 V337 L341	L67-V339 HydrophobicContact CD1-CG2 3.7Å; L68-V339 PolarHBondContact O-N 3.27Å; G69-V339 CarbonylContact C-O 3.52Å; G69-V339 WeakPolarHBondContact CA-O 3.38Å; K70-V339 PolarHBondContact N-O 3.26Å; V220-V339 HydrophobicContact CB-CG1 4.31Å; V220-V339 HydrophobicContact CB-CG2 4.25Å; V220-V339 HydrophobicContact CG2-CG2 4.47Å; V220-V339 WeakPolarHBondContact O-CA 3.47Å; A318-V339 HydrophobicContact CB-CG1 3.54Å; V319-V339 HydrophobicContact CG2-CB 4.34Å; V319-V339 HydrophobicContact CG2-CG1 3.81Å; A322-V339 HydrophobicContact CB-CG2 3.51Å; V337-V339 HydrophobicContact CG1-CG2 4.26Å; V339-L341 HydrophobicContact CG1-CD2 4.43Å
340	I	98.9	Very high	95.9	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.01	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	127.1	175	-52.3	-54.9	0	0	0	109.7	K70 E72 I203 V220 A221 L232 P342	K70-I340 HydrophobicContact CB-CD1 3.76Å; K70-I340 HydrophobicContact CG-CD1 4.02Å; E72-I340 HydrophobicContact CG-CG2 4.08Å; I203-I340 HydrophobicContact CD1-CD1 3.88Å; V220-I340 PolarHBondContact O-N 3.46Å; A221-I340 HydrophobicContact CB-CB 4.24Å; A221-I340 HydrophobicContact CB-CG1 3.84Å; L232-I340 HydrophobicContact CD1-CD1 3.84Å; L232-I340 HydrophobicContact CD1-CG1 3.85Å; I340-P342 HydrophobicContact CG2-CG 4.34Å; I340-P342 WeakPolarHBondContact O-CD 3.18Å
341	L	98.8	Very high	95.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.175	C	C	.	.			trans	-106	90.7	175.4	-52.6	-178.4	0	0	0	108.9	K70 E72 F73 L303 L309 S315 V319 V339 D343	K70-L341 WeakPolarHBondContact O-CB 3.48Å; K70-L341 PolarHBondContact O-N 2.99Å; E72-L341 WeakPolarHBondContact CB-O 3.41Å; E72-L341 PolarHBondContact N-O 2.9Å; E72-L341 VanDerWaalsContact N-O 3.16Å; F73-L341 HydrophobicContact CD1-CB 3.71Å; F73-L341 HydrophobicContact CD1-CD1 4.47Å; F73-L341 HydrophobicContact CE1-CB 3.91Å; F73-L341 HydrophobicContact CE1-CD1 3.81Å; F73-L341 PolarHBondContact N-O 3.33Å; L303-L341 HydrophobicContact CD1-CD2 4.43Å; L309-L341 HydrophobicContact CD1-CD1 4.06Å; S315-L341 WeakPolarHBondContact OG-CA 3.23Å; V319-L341 HydrophobicContact CG2-CD2 3.79Å; V339-L341 HydrophobicContact CG1-CD2 4.43Å; L341-D343 PolarHBondContact O-N 2.9Å
342	P	98.3	Very high	95.6	Very high	12 Å²	12	32.1 Å²	32.1	8%	0.078	17%	0.167	C	C	.	.			trans	-70.2	-37.3	-154.8	-25.7	38.1	0	0	0	115.9	S79 V80 S315 I340	S79-P342 CarbonylContact C-O 3.45Å; S79-P342 WeakPolarHBondContact CA-O 3.42Å; V80-P342 HydrophobicContact CG1-CB 3.9Å; V80-P342 PolarHBondContact N-O 2.98Å; S315-P342 WeakPolarHBondContact OG-CD 3.25Å; I340-P342 HydrophobicContact CG2-CG 4.34Å; I340-P342 WeakPolarHBondContact O-CD 3.18Å
343	D	97.2	Very high	95.6	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.011	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-154.2	163.9	-171.2	76	-33.8	0	0	0	113.9	F73 G78 N111 C311 G312 S314 L341 N347 Y348	F73-D343 WeakPolarHBondContact CB-O 3.36Å; G78-D343 WeakPolarHBondContact O-CA 3.47Å; N111-D343 VanDerWaalsContact ND2-CB 3.33Å; N111-D343 WeakPolarHBondContact ND2-CB 3.48Å; N111-D343 VanDerWaalsContact ND2-CG 3.34Å; N111-D343 PolarHBondContact ND2-OD2 3.08Å; C311-D343 CarbonylContact C-O 3.52Å; C311-D343 WeakPolarHBondContact CA-O 3.36Å; G312-D343 PolarHBondContact N-O 2.91Å; S314-D343 PolarHBondContact OG-OD1 3.18Å; L341-D343 PolarHBondContact O-N 2.9Å; D343-N347 PolarHBondContact OD2-ND2 3.34Å; D343-Y348 VanDerWaalsContact OD2-CE2 3.32Å; D343-Y348 WeakPolarHBondContact OD2-CE2 3.48Å; D343-Y348 PolarHBondContact OD2-OH 2.99Å
344	N	96.6	Very high	95.6	Very high	31 Å²	31	28 Å²	28	17%	0.166	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-91.4	167.9	-176.3	70.5	42.5	0	0	0	113.5	F73 G78 P310 R346	F73-N344 HydrophobicContact CB-CB 3.92Å; F73-N344 PolarHBondContact O-ND2 2.72Å; G78-N344 WeakPolarHBondContact CA-ND2 3.3Å; G78-N344 PolarHBondContact O-N 2.95Å; P310-N344 CarbonylContact O-C 3.54Å; P310-N344 WeakPolarHBondContact O-CA 3.11Å; P310-N344 WeakPolarHBondContact O-CB 3.18Å; N344-R346 PolarHBondContact O-N 3.48Å; N344-R346 WeakPolarHBondContact OD1-CB 3.16Å; N344-R346 PolarHBondContact OD1-N 3.43Å
345	V	95.6	Very high	95.5	Very high	17 Å²	17	24.9 Å²	24.9	10%	0.103	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-67.2	-10.7	-177.5	-69.2	0	0	0	0	116.2	I304 P310 C311 N347 Y348 M349 F352 L353	I304-V345 HydrophobicContact CD1-CG1 3.68Å; I304-V345 HydrophobicContact CG1-CG1 4.43Å; P310-V345 HydrophobicContact CB-CG2 3.84Å; P310-V345 PolarHBondContact O-N 3.45Å; C311-V345 VanDerWaalsContact O-CG1 3.29Å; C311-V345 WeakPolarHBondContact O-CG1 3.34Å; V345-N347 PolarHBondContact O-N 3.17Å; V345-Y348 PolarHBondContact O-N 2.97Å; V345-M349 HydrophobicContact CB-CE 4.11Å; V345-M349 HydrophobicContact CG2-CE 3.55Å; V345-M349 PolarHBondContact O-N 3.24Å; V345-F352 HydrophobicContact CG1-CZ 4.2Å; V345-L353 HydrophobicContact CB-CD1 3.67Å; V345-L353 HydrophobicContact CB-CD2 4.38Å; V345-L353 HydrophobicContact CB-CG 4.46Å; V345-L353 HydrophobicContact CG1-CD1 4.11Å; V345-L353 HydrophobicContact CG1-CD2 3.88Å; V345-L353 HydrophobicContact CG1-CG 4.43Å; V345-L353 HydrophobicContact CG2-CD1 4.33Å
346	R	93.1	Very high	95.3	Very high	60 Å²	60	28.3 Å²	28.3	23%	0.226	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-52.5	-38.3	-175.7	-179.8	-170.8	61.2	-136.9	-13.5	112	G77 Y142 N344 Y348	G77-R346 VanDerWaalsContact O-CZ 3.27Å; G77-R346 PolarHBondContact O-NH1 3.1Å; G77-R346 PolarHBondContact O-NH2 3.16Å; Y142-R346 VanDerWaalsContact CE1-CZ 3.47Å; N344-R346 PolarHBondContact O-N 3.48Å; N344-R346 WeakPolarHBondContact OD1-CB 3.16Å; N344-R346 PolarHBondContact OD1-N 3.43Å; R346-Y348 PolarHBondContact O-N 3.31Å
347	N	89.3	Confident	95	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-72.1	-9.1	-177.9	-63.1	-26.2	0	0	0	113.8	N111 K139 D343 V345	N111-N347 PolarHBondContact OD1-ND2 2.66Å; K139-N347 HydrophobicContact CG-CB 4.19Å; D343-N347 PolarHBondContact OD2-ND2 3.34Å; V345-N347 PolarHBondContact O-N 3.17Å
348	Y	92.3	Very high	94.9	Very high	6 Å²	6	28 Å²	28	2%	0.024	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-132.1	14.9	-163.2	-48.9	-62.6	0	0	0	113.4	E269 D343 V345 R346 S350 K351 F352	E269-Y348 HydrophobicContact CB-CE1 3.99Å; E269-Y348 HydrophobicContact CG-CE1 4.37Å; E269-Y348 WeakPolarHBondContact OE1-CE1 3.34Å; D343-Y348 VanDerWaalsContact OD2-CE2 3.32Å; D343-Y348 WeakPolarHBondContact OD2-CE2 3.48Å; D343-Y348 PolarHBondContact OD2-OH 2.99Å; V345-Y348 PolarHBondContact O-N 2.97Å; R346-Y348 PolarHBondContact O-N 3.31Å; Y348-S350 VanDerWaalsContact C-N 3.29Å; Y348-S350 PolarHBondContact O-N 3.4Å; Y348-K351 HydrophobicContact CD1-CD 4.42Å; Y348-K351 WeakPolarHBondContact O-CA 3.37Å; Y348-K351 PolarHBondContact O-N 3.01Å; Y348-F352 VanDerWaalsContact CB-CE1 3.43Å; Y348-F352 AromaticContact CD2-CE1 3.79Å; Y348-F352 HydrophobicContact CD2-CE1 3.79Å; Y348-F352 HydrophobicContact CG-CD1 4.14Å; Y348-F352 AromaticContact CG-CE1 3.68Å; Y348-F352 HydrophobicContact CG-CE1 3.68Å
349	M	91.8	Very high	94.6	Very high	102 Å²	102	28.5 Å²	28.5	50%	0.502	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-40.7	-176.7	-69.8	-67	165.8	0	0	112.9	V345 K351 L353	V345-M349 HydrophobicContact CB-CE 4.11Å; V345-M349 HydrophobicContact CG2-CE 3.55Å; V345-M349 PolarHBondContact O-N 3.24Å; M349-K351 VanDerWaalsContact C-N 3.32Å; M349-L353 HydrophobicContact CE-CD1 4.16Å; M349-L353 HydrophobicContact CG-CD1 4.47Å; M349-L353 HydrophobicContact SD-CD1 3.56Å; M349-L353 VanDerWaalsContact SD-CD1 3.56Å
350	S	90.3	Very high	94.3	Very high	57 Å²	57	28.8 Å²	28.8	40%	0.399	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	6.8	175.4	56.4	0	0	0	0	114.6	E138 Y348	E138-S350 WeakPolarHBondContact OE1-CB 3.32Å; E138-S350 PolarHBondContact OE1-OG 2.97Å; Y348-S350 VanDerWaalsContact C-N 3.29Å; Y348-S350 PolarHBondContact O-N 3.4Å
351	K	92.2	Very high	93.9	Very high	33 Å²	33	29.9 Å²	29.9	14%	0.143	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-130.1	-175	-59.3	-168.6	178.6	-171.6	0	111.4	E269 Y348 M349 L353 S354 W357	E269-K351 VanDerWaalsContact CD-NZ 3.3Å; E269-K351 VanDerWaalsContact OE1-CD 3.27Å; E269-K351 WeakPolarHBondContact OE1-CD 3.5Å; E269-K351 WeakPolarHBondContact OE1-CE 3.41Å; E269-K351 IonicContact OE1-NZ 2.9Å; E269-K351 PolarHBondContact OE1-NZ 3.21Å; E269-K351 IonicContact OE2-NZ 3.21Å; Y348-K351 HydrophobicContact CD1-CD 4.42Å; Y348-K351 WeakPolarHBondContact O-CA 3.37Å; Y348-K351 PolarHBondContact O-N 3.01Å; M349-K351 VanDerWaalsContact C-N 3.32Å; K351-L353 PolarHBondContact O-N 2.87Å; K351-S354 WeakPolarHBondContact O-CA 3.46Å; K351-S354 WeakPolarHBondContact O-CB 3.34Å; K351-S354 PolarHBondContact O-N 3.42Å; K351-W357 VanDerWaalsContact C-CD2 3.45Å; K351-W357 VanDerWaalsContact C-CE3 3.48Å; K351-W357 HydrophobicContact CB-CD2 4.08Å; K351-W357 HydrophobicContact CB-CG 4.41Å; K351-W357 HydrophobicContact CB-CZ2 4.16Å; K351-W357 VanDerWaalsContact O-CB 3.26Å; K351-W357 WeakPolarHBondContact O-CB 3.2Å
352	F	95.1	Very high	93.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-19.6	-170.7	79.4	-90.3	0	0	0	115.5	F297 A300 R301 I304 V345 Y348 S354 W357 M358	F297-F352 HydrophobicContact CB-CB 3.98Å; F297-F352 HydrophobicContact CB-CG 4.46Å; F297-F352 HydrophobicContact CD1-CB 3.36Å; F297-F352 AromaticContact CD1-CD1 3.85Å; F297-F352 HydrophobicContact CD1-CD1 3.85Å; F297-F352 HydrophobicContact CD1-CD2 4.18Å; F297-F352 AromaticContact CD1-CG 3.54Å; F297-F352 HydrophobicContact CD1-CG 3.54Å; F297-F352 HydrophobicContact CD2-CB 4.46Å; F297-F352 HydrophobicContact CE1-CB 3.92Å; F297-F352 HydrophobicContact CE1-CD1 4.02Å; F297-F352 HydrophobicContact CE1-CG 4.12Å; F297-F352 HydrophobicContact CG-CB 3.68Å; F297-F352 HydrophobicContact CG-CG 4.25Å; A300-F352 HydrophobicContact CB-CD2 4.32Å; A300-F352 HydrophobicContact CB-CE2 3.67Å; A300-F352 HydrophobicContact CB-CZ 4.05Å; R301-F352 WeakPolarHBondContact CD-O 3.26Å; R301-F352 HydrophobicContact CG-CD2 3.89Å; R301-F352 HydrophobicContact CG-CE2 4.2Å; R301-F352 PolarHBondContact NH1-O 3.32Å; I304-F352 HydrophobicContact CD1-CE2 4.1Å; I304-F352 HydrophobicContact CD1-CZ 4.43Å; V345-F352 HydrophobicContact CG1-CZ 4.2Å; Y348-F352 VanDerWaalsContact CB-CE1 3.43Å; Y348-F352 AromaticContact CD2-CE1 3.79Å; Y348-F352 HydrophobicContact CD2-CE1 3.79Å; Y348-F352 HydrophobicContact CG-CD1 4.14Å; Y348-F352 AromaticContact CG-CE1 3.68Å; Y348-F352 HydrophobicContact CG-CE1 3.68Å; F352-S354 VanDerWaalsContact C-N 3.32Å; F352-W357 VanDerWaalsContact CA-CE3 3.46Å; F352-W357 HydrophobicContact CB-CE3 4.13Å; F352-W357 HydrophobicContact CB-CZ3 3.77Å; F352-M358 HydrophobicContact CB-SD 3.81Å; F352-M358 VanDerWaalsContact O-CG 3.3Å; F352-M358 WeakPolarHBondContact O-CG 3.08Å
353	L	95.3	Very high	93.3	Very high	49 Å²	49	32.8 Å²	32.8	26%	0.257	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-34.9	170.3	-62.6	-178.2	0	0	0	112.8	I304 V345 M349 K351	I304-L353 HydrophobicContact CD1-CD2 3.5Å; I304-L353 VanDerWaalsContact CD1-CD2 3.5Å; V345-L353 HydrophobicContact CB-CD1 3.67Å; V345-L353 HydrophobicContact CB-CD2 4.38Å; V345-L353 HydrophobicContact CB-CG 4.46Å; V345-L353 HydrophobicContact CG1-CD1 4.11Å; V345-L353 HydrophobicContact CG1-CD2 3.88Å; V345-L353 HydrophobicContact CG1-CG 4.43Å; V345-L353 HydrophobicContact CG2-CD1 4.33Å; M349-L353 HydrophobicContact CE-CD1 4.16Å; M349-L353 HydrophobicContact CG-CD1 4.47Å; M349-L353 HydrophobicContact SD-CD1 3.56Å; M349-L353 VanDerWaalsContact SD-CD1 3.56Å; K351-L353 PolarHBondContact O-N 2.87Å
354	S	94.1	Very high	93	Very high	34 Å²	34	35 Å²	35	24%	0.238	19%	0.188	C	C	.	.	S	Bend	trans	-77.1	126.9	176.4	173.4	0	0	0	0	110.8	K351 F352 D356 W357 M358	K351-S354 WeakPolarHBondContact O-CA 3.46Å; K351-S354 WeakPolarHBondContact O-CB 3.34Å; K351-S354 PolarHBondContact O-N 3.42Å; F352-S354 VanDerWaalsContact C-N 3.32Å; S354-D356 VanDerWaalsContact C-N 3.29Å; S354-D356 PolarHBondContact O-N 3.1Å; S354-D356 PolarHBondContact OG-N 3.21Å; S354-W357 PolarHBondContact O-N 2.62Å; S354-W357 PolarHBondContact OG-N 2.94Å; S354-M358 WeakPolarHBondContact O-CG 3.21Å; S354-M358 PolarHBondContact O-N 3.42Å
355	N	94.4	Very high	92.7	Very high	71 Å²	71	38.2 Å²	38.2	38%	0.38	21%	0.205	S	C	.	.	H	α-helix	trans	-62.1	-39	171.9	-69.6	-7.6	0	0	0	111.3	R301 W357 M358 F359 M364 F366	R301-N355 VanDerWaalsContact CZ-OD1 3.27Å; R301-N355 PolarHBondContact NH1-OD1 3.24Å; R301-N355 PolarHBondContact NH2-OD1 3.41Å; N355-W357 VanDerWaalsContact C-N 3.3Å; N355-W357 PolarHBondContact O-N 3.46Å; N355-M358 PolarHBondContact O-N 3.16Å; N355-F359 WeakPolarHBondContact O-CB 3.44Å; N355-F359 PolarHBondContact O-N 3.08Å; N355-M364 HydrophobicContact CB-SD 3.89Å; N355-F366 HydrophobicContact CB-CE1 4.21Å; N355-F366 HydrophobicContact CB-CZ 3.96Å
356	D	92.2	Very high	92.3	Very high	87 Å²	87	40.7 Å²	40.7	47%	0.465	22%	0.215	S	C	.	.	H	α-helix	trans	-63	-41.7	178.7	-59.6	-28.3	0	0	0	110.5	S354 F359 S360 V476	S354-D356 VanDerWaalsContact C-N 3.29Å; S354-D356 PolarHBondContact O-N 3.1Å; S354-D356 PolarHBondContact OG-N 3.21Å; D356-F359 PolarHBondContact O-N 3.04Å; D356-S360 VanDerWaalsContact O-CB 3.29Å; D356-S360 WeakPolarHBondContact O-CB 3.31Å; D356-S360 PolarHBondContact O-N 3.01Å; D356-V476 HydrophobicContact CB-CG2 3.87Å; D356-V476 WeakPolarHBondContact O-CG2 3.25Å
357	W	93.2	Very high	91.9	Very high	19 Å²	19	42.1 Å²	42.1	7%	0.072	23%	0.231	C	C	.	.	H	α-helix	trans	-62.7	-52.2	174	-172.3	93.2	0	0	0	111	D267 F297 K351 F352 S354 N355 F359 S360 R361 Y363	D267-W357 HydrophobicContact CB-CH2 4.12Å; D267-W357 HydrophobicContact CB-CZ2 4.45Å; F297-W357 HydrophobicContact CD2-CH2 4.27Å; F297-W357 HydrophobicContact CD2-CZ3 4.09Å; F297-W357 AromaticContact CE2-CH2 3.65Å; F297-W357 HydrophobicContact CE2-CH2 3.65Å; F297-W357 AromaticContact CE2-CZ3 3.93Å; F297-W357 HydrophobicContact CE2-CZ3 3.93Å; F297-W357 AromaticContact CZ-CH2 3.79Å; F297-W357 HydrophobicContact CZ-CH2 3.79Å; F297-W357 HydrophobicContact CZ-CZ3 4.27Å; K351-W357 VanDerWaalsContact C-CD2 3.45Å; K351-W357 VanDerWaalsContact C-CE3 3.48Å; K351-W357 HydrophobicContact CB-CD2 4.08Å; K351-W357 HydrophobicContact CB-CG 4.41Å; K351-W357 HydrophobicContact CB-CZ2 4.16Å; K351-W357 VanDerWaalsContact O-CB 3.26Å; K351-W357 WeakPolarHBondContact O-CB 3.2Å; F352-W357 VanDerWaalsContact CA-CE3 3.46Å; F352-W357 HydrophobicContact CB-CE3 4.13Å; F352-W357 HydrophobicContact CB-CZ3 3.77Å; S354-W357 PolarHBondContact O-N 2.62Å; S354-W357 PolarHBondContact OG-N 2.94Å; N355-W357 VanDerWaalsContact C-N 3.3Å; N355-W357 PolarHBondContact O-N 3.46Å; W357-F359 PolarHBondContact O-N 2.87Å; W357-S360 WeakPolarHBondContact O-CB 3.25Å; W357-S360 PolarHBondContact O-N 3.39Å; W357-S360 VanDerWaalsContact O-N 3.08Å; W357-S360 PolarHBondContact O-OG 2.66Å; W357-R361 HydrophobicContact CD2-CG 3.64Å; W357-R361 HydrophobicContact CE3-CG 3.74Å; W357-R361 HydrophobicContact CG-CG 4.38Å; W357-R361 HydrophobicContact CH2-CG 3.73Å; W357-R361 HydrophobicContact CZ2-CG 3.6Å; W357-R361 HydrophobicContact CZ3-CG 3.8Å; W357-R361 VanDerWaalsContact O-CG 3.3Å; W357-R361 WeakPolarHBondContact O-CG 3.44Å; W357-R361 PolarHBondContact O-N 2.9Å; W357-Y363 HydrophobicContact CH2-CD2 4.35Å; W357-Y363 AromaticContact CH2-CE2 3.95Å; W357-Y363 HydrophobicContact CH2-CE2 3.95Å; W357-Y363 AromaticContact CZ3-CD2 3.86Å; W357-Y363 HydrophobicContact CZ3-CD2 3.86Å; W357-Y363 AromaticContact CZ3-CE2 3.94Å; W357-Y363 HydrophobicContact CZ3-CE2 3.94Å
358	M	95.7	Very high	91.6	Very high	5 Å²	5	50.2 Å²	50.2	3%	0.025	27%	0.274	C	S	.	.	H	α-helix	trans	-53.6	-43.9	177.7	-71	-68.9	-74.2	0	0	111.8	F297 F352 S354 N355 R361 G362 Y363 M364	F297-M358 HydrophobicContact CB-CE 3.88Å; F297-M358 HydrophobicContact CB-SD 3.93Å; F297-M358 HydrophobicContact CG-SD 4.39Å; F352-M358 HydrophobicContact CB-SD 3.81Å; F352-M358 VanDerWaalsContact O-CG 3.3Å; F352-M358 WeakPolarHBondContact O-CG 3.08Å; S354-M358 WeakPolarHBondContact O-CG 3.21Å; S354-M358 PolarHBondContact O-N 3.42Å; N355-M358 PolarHBondContact O-N 3.16Å; M358-R361 PolarHBondContact O-N 2.89Å; M358-G362 PolarHBondContact O-N 3.49Å; M358-G362 VanDerWaalsContact O-N 3.16Å; M358-Y363 VanDerWaalsContact CE-CB 3.49Å; M358-Y363 HydrophobicContact CE-CG 4.46Å; M358-Y363 PolarHBondContact O-N 2.82Å; M358-Y363 HydrophobicContact SD-CD2 4.1Å; M358-M364 HydrophobicContact CB-CB 3.71Å; M358-M364 HydrophobicContact CB-CE 4.45Å; M358-M364 HydrophobicContact CB-SD 4.4Å; M358-M364 PolarHBondContact O-N 3.26Å
359	F	93.7	Very high	91.1	Very high	11 Å²	11	51.2 Å²	51.2	5%	0.048	29%	0.286	C	S	.	.	H	α-helix	trans	-64.2	-46.4	176.5	-179.8	-101.5	0	0	0	112.4	N355 D356 W357 R361 G362 M364 F366 R472 T475	N355-F359 WeakPolarHBondContact O-CB 3.44Å; N355-F359 PolarHBondContact O-N 3.08Å; D356-F359 PolarHBondContact O-N 3.04Å; W357-F359 PolarHBondContact O-N 2.87Å; F359-R361 PolarHBondContact O-N 3.4Å; F359-G362 PolarHBondContact O-N 2.81Å; F359-M364 WeakPolarHBondContact CA-O 3.07Å; F359-M364 VanDerWaalsContact CD2-O 3.3Å; F359-M364 WeakPolarHBondContact CD2-O 2.87Å; F359-F366 HydrophobicContact CB-CD2 3.96Å; F359-F366 HydrophobicContact CB-CE2 3.37Å; F359-F366 HydrophobicContact CB-CZ 3.86Å; F359-F366 AromaticContact CD1-CD2 3.86Å; F359-F366 HydrophobicContact CD1-CD2 3.86Å; F359-F366 AromaticContact CD1-CE2 3.8Å; F359-F366 HydrophobicContact CD1-CE2 3.8Å; F359-F366 HydrophobicContact CD2-CB 4.37Å; F359-F366 AromaticContact CD2-CD2 3.29Å; F359-F366 HydrophobicContact CD2-CD2 3.29Å; F359-F366 AromaticContact CD2-CE2 3.68Å; F359-F366 HydrophobicContact CD2-CE2 3.68Å; F359-F366 AromaticContact CD2-CG 3.89Å; F359-F366 HydrophobicContact CD2-CG 3.89Å; F359-F366 HydrophobicContact CE1-CD2 4.15Å; F359-F366 HydrophobicContact CE2-CB 4.17Å; F359-F366 AromaticContact CE2-CD2 3.64Å; F359-F366 HydrophobicContact CE2-CD2 3.64Å; F359-F366 HydrophobicContact CE2-CE2 4.41Å; F359-F366 HydrophobicContact CE2-CG 4.16Å; F359-F366 AromaticContact CG-CD2 3.42Å; F359-F366 HydrophobicContact CG-CD2 3.42Å; F359-F366 VanDerWaalsContact CG-CD2 3.42Å; F359-F366 AromaticContact CG-CE2 3.33Å; F359-F366 HydrophobicContact CG-CE2 3.33Å; F359-F366 HydrophobicContact CG-CG 4.4Å; F359-F366 HydrophobicContact CG-CZ 4.24Å; F359-F366 HydrophobicContact CZ-CD2 4.06Å; F359-R472 HydrophobicContact CD1-CG 4.2Å; F359-R472 HydrophobicContact CE1-CB 4.38Å; F359-R472 HydrophobicContact CE1-CG 3.71Å; F359-R472 HydrophobicContact CE2-CG 4.49Å; F359-R472 VanDerWaalsContact CE2-NH1 3.26Å; F359-R472 HydrophobicContact CZ-CG 3.87Å; F359-R472 PolarHBondContact O-NH1 2.86Å; F359-T475 HydrophobicContact CD1-CG2 3.83Å; F359-T475 HydrophobicContact CE1-CG2 3.73Å
360	S	91.6	Very high	90.9	Very high	6 Å²	6	49.2 Å²	49.2	4%	0.042	28%	0.278	C	S	.	.	H	α-helix	trans	-58.4	-33.7	177.3	80.2	0	0	0	0	112.9	D356 W357 G362 R472	D356-S360 VanDerWaalsContact O-CB 3.29Å; D356-S360 WeakPolarHBondContact O-CB 3.31Å; D356-S360 PolarHBondContact O-N 3.01Å; W357-S360 WeakPolarHBondContact O-CB 3.25Å; W357-S360 PolarHBondContact O-N 3.39Å; W357-S360 VanDerWaalsContact O-N 3.08Å; W357-S360 PolarHBondContact O-OG 2.66Å; S360-G362 VanDerWaalsContact C-N 3.33Å; S360-R472 VanDerWaalsContact CA-O 3.31Å; S360-R472 WeakPolarHBondContact CA-O 3.49Å; S360-R472 VanDerWaalsContact CB-O 3.25Å; S360-R472 WeakPolarHBondContact CB-O 3.45Å
361	R	90.2	Very high	90.8	Very high	26 Å²	26	51.8 Å²	51.8	10%	0.098	29%	0.291	C	S	.	.	H	α-helix	trans	-84.5	-8.8	177.7	-55.8	-49.6	-80	171.7	-6	112.8	D267 W357 M358 F359 Y363 R459 R469	D267-R361 IonicContact OD1-CZ 3.27Å; D267-R361 IonicContact OD1-NE 3.17Å; D267-R361 PolarHBondContact OD1-NE 3.22Å; D267-R361 IonicContact OD1-NH2 2.61Å; D267-R361 PolarHBondContact OD1-NH2 3.04Å; D267-R361 IonicContact OD2-CZ 2.82Å; D267-R361 IonicContact OD2-NE 3.59Å; D267-R361 PolarHBondContact OD2-NE 2.71Å; D267-R361 IonicContact OD2-NH2 3.24Å; D267-R361 PolarHBondContact OD2-NH2 3.2Å; W357-R361 HydrophobicContact CD2-CG 3.64Å; W357-R361 HydrophobicContact CE3-CG 3.74Å; W357-R361 HydrophobicContact CG-CG 4.38Å; W357-R361 HydrophobicContact CH2-CG 3.73Å; W357-R361 HydrophobicContact CZ2-CG 3.6Å; W357-R361 HydrophobicContact CZ3-CG 3.8Å; W357-R361 VanDerWaalsContact O-CG 3.3Å; W357-R361 WeakPolarHBondContact O-CG 3.44Å; W357-R361 PolarHBondContact O-N 2.9Å; M358-R361 PolarHBondContact O-N 2.89Å; F359-R361 PolarHBondContact O-N 3.4Å; R361-Y363 VanDerWaalsContact C-N 3.34Å; R361-Y363 HydrophobicContact CB-CD2 3.39Å; R361-Y363 HydrophobicContact CB-CE2 3.33Å; R361-Y363 HydrophobicContact CB-CG 4.05Å; R361-Y363 HydrophobicContact CG-CD2 4.11Å; R361-Y363 HydrophobicContact CG-CE2 3.87Å; R361-R459 VanDerWaalsContact NH1-NH1 3.17Å; R361-R459 VanDerWaalsContact NH1-NH2 3.14Å; R361-R459 VanDerWaalsContact NH2-NH1 3.12Å; R361-R469 PolarHBondContact O-NH1 3.09Å
362	G	90.7	Very high	90.6	Very high	37 Å²	37	53.7 Å²	53.7	38%	0.381	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	76	23	-176.3	0	0	0	0	0	113.2	M358 F359 S360	M358-G362 PolarHBondContact O-N 3.49Å; M358-G362 VanDerWaalsContact O-N 3.16Å; F359-G362 PolarHBondContact O-N 2.81Å; S360-G362 VanDerWaalsContact C-N 3.33Å
363	Y	94.1	Very high	90.3	Very high	35 Å²	35	54.9 Å²	54.9	14%	0.137	30%	0.304	C	S	.	.	S	Bend	trans	-96	1.3	174.9	-53	-42.1	0	0	0	113.6	D267 D293 H294 F297 W357 M358 R361	D267-Y363 HydrophobicContact CB-CE2 4.34Å; D267-Y363 PolarHBondContact OD2-OH 3.47Å; D293-Y363 HydrophobicContact CB-CE1 3.81Å; D293-Y363 HydrophobicContact CB-CE2 4.22Å; D293-Y363 VanDerWaalsContact CB-CZ 3.48Å; D293-Y363 WeakPolarHBondContact CB-OH 3.24Å; D293-Y363 PolarHBondContact OD2-OH 2.95Å; H294-Y363 HydrophobicContact CB-CD1 4.06Å; H294-Y363 PolarHBondContact NE2-O 3.32Å; F297-Y363 AromaticContact CD2-CD2 3.71Å; F297-Y363 HydrophobicContact CD2-CD2 3.71Å; F297-Y363 AromaticContact CD2-CE2 3.65Å; F297-Y363 HydrophobicContact CD2-CE2 3.65Å; F297-Y363 HydrophobicContact CE2-CD2 4.11Å; F297-Y363 AromaticContact CE2-CE2 3.57Å; F297-Y363 HydrophobicContact CE2-CE2 3.57Å; W357-Y363 HydrophobicContact CH2-CD2 4.35Å; W357-Y363 AromaticContact CH2-CE2 3.95Å; W357-Y363 HydrophobicContact CH2-CE2 3.95Å; W357-Y363 AromaticContact CZ3-CD2 3.86Å; W357-Y363 HydrophobicContact CZ3-CD2 3.86Å; W357-Y363 AromaticContact CZ3-CE2 3.94Å; W357-Y363 HydrophobicContact CZ3-CE2 3.94Å; M358-Y363 VanDerWaalsContact CE-CB 3.49Å; M358-Y363 HydrophobicContact CE-CG 4.46Å; M358-Y363 PolarHBondContact O-N 2.82Å; M358-Y363 HydrophobicContact SD-CD2 4.1Å; R361-Y363 VanDerWaalsContact C-N 3.34Å; R361-Y363 HydrophobicContact CB-CD2 3.39Å; R361-Y363 HydrophobicContact CB-CE2 3.33Å; R361-Y363 HydrophobicContact CB-CG 4.05Å; R361-Y363 HydrophobicContact CG-CD2 4.11Å; R361-Y363 HydrophobicContact CG-CE2 3.87Å
364	M	92.3	Very high	90.1	Very high	50 Å²	50	57.5 Å²	57.5	25%	0.246	32%	0.318	C	S	.	.	S	Bend	trans	-153.1	151.9	178.3	176.1	176.8	-73.6	0	0	108.1	N355 M358 F359 F366 R472	N355-M364 HydrophobicContact CB-SD 3.89Å; M358-M364 HydrophobicContact CB-CB 3.71Å; M358-M364 HydrophobicContact CB-CE 4.45Å; M358-M364 HydrophobicContact CB-SD 4.4Å; M358-M364 PolarHBondContact O-N 3.26Å; F359-M364 WeakPolarHBondContact CA-O 3.07Å; F359-M364 VanDerWaalsContact CD2-O 3.3Å; F359-M364 WeakPolarHBondContact CD2-O 2.87Å; M364-F366 HydrophobicContact SD-CE1 3.95Å; M364-F366 HydrophobicContact SD-CZ 4.41Å; M364-R472 PolarHBondContact O-NH1 3.42Å
365	D	89.6	Confident	89.9	Confident	97 Å²	97	59.8 Å²	59.8	52%	0.519	33%	0.328	S	S	.	.			trans	-117.5	154.7	172.8	-71.7	-45.2	0	0	0	111.6	P367 R472	D365-P367 WeakPolarHBondContact O-CD 3.41Å; D365-R472 IonicContact OD1-CZ 2.81Å; D365-R472 IonicContact OD1-NH1 3.91Å; D365-R472 PolarHBondContact OD1-NH1 3.16Å; D365-R472 IonicContact OD1-NH2 3.49Å; D365-R472 PolarHBondContact OD1-NH2 2.76Å
366	F	87.3	Confident	89.7	Confident	70 Å²	70	56.7 Å²	56.7	31%	0.307	31%	0.311	S	S	.	.			trans	-116	85.5	169.9	-63.9	-47.4	0	0	0	109	N355 F359 M364 L368 G369 R373	N355-F366 HydrophobicContact CB-CE1 4.21Å; N355-F366 HydrophobicContact CB-CZ 3.96Å; F359-F366 HydrophobicContact CB-CD2 3.96Å; F359-F366 HydrophobicContact CB-CE2 3.37Å; F359-F366 HydrophobicContact CB-CZ 3.86Å; F359-F366 AromaticContact CD1-CD2 3.86Å; F359-F366 HydrophobicContact CD1-CD2 3.86Å; F359-F366 AromaticContact CD1-CE2 3.8Å; F359-F366 HydrophobicContact CD1-CE2 3.8Å; F359-F366 HydrophobicContact CD2-CB 4.37Å; F359-F366 AromaticContact CD2-CD2 3.29Å; F359-F366 HydrophobicContact CD2-CD2 3.29Å; F359-F366 AromaticContact CD2-CE2 3.68Å; F359-F366 HydrophobicContact CD2-CE2 3.68Å; F359-F366 AromaticContact CD2-CG 3.89Å; F359-F366 HydrophobicContact CD2-CG 3.89Å; F359-F366 HydrophobicContact CE1-CD2 4.15Å; F359-F366 HydrophobicContact CE2-CB 4.17Å; F359-F366 AromaticContact CE2-CD2 3.64Å; F359-F366 HydrophobicContact CE2-CD2 3.64Å; F359-F366 HydrophobicContact CE2-CE2 4.41Å; F359-F366 HydrophobicContact CE2-CG 4.16Å; F359-F366 AromaticContact CG-CD2 3.42Å; F359-F366 HydrophobicContact CG-CD2 3.42Å; F359-F366 VanDerWaalsContact CG-CD2 3.42Å; F359-F366 AromaticContact CG-CE2 3.33Å; F359-F366 HydrophobicContact CG-CE2 3.33Å; F359-F366 HydrophobicContact CG-CG 4.4Å; F359-F366 HydrophobicContact CG-CZ 4.24Å; F359-F366 HydrophobicContact CZ-CD2 4.06Å; M364-F366 HydrophobicContact SD-CE1 3.95Å; M364-F366 HydrophobicContact SD-CZ 4.41Å; F366-L368 PolarHBondContact O-N 2.64Å; F366-L368 VanDerWaalsContact O-N 3.16Å; F366-G369 WeakPolarHBondContact O-CA 3.41Å; F366-G369 PolarHBondContact O-N 3.37Å; F366-R373 PolarHBondContact O-NH2 2.73Å
367	P	83.6	Confident	89.7	Confident	89 Å²	89	55.1 Å²	55.1	58%	0.578	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-57.6	-33.1	-174.7	-25.9	34.3	0	0	0	113.6	D365 G369 D370	D365-P367 WeakPolarHBondContact O-CD 3.41Å; P367-G369 PolarHBondContact O-N 3.44Å; P367-D370 VanDerWaalsContact O-CB 3.25Å; P367-D370 WeakPolarHBondContact O-CB 3.46Å; P367-D370 PolarHBondContact O-N 2.68Å; P367-D370 VanDerWaalsContact O-N 3.08Å
368	L	83.2	Confident	89.5	Confident	171 Å²	171	59.3 Å²	59.3	90%	0.895	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-65	-22.6	176.3	-63.1	178	0	0	0	113	F366 D370	F366-L368 PolarHBondContact O-N 2.64Å; F366-L368 VanDerWaalsContact O-N 3.16Å; L368-D370 VanDerWaalsContact C-N 3.26Å; L368-D370 PolarHBondContact O-N 2.71Å
369	G	83.3	Confident	89.4	Confident	27 Å²	27	59.8 Å²	59.8	28%	0.278	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-76.7	-10.8	175.3	0	0	0	0	0	113.6	F366 P367 T371 F372 R373	F366-G369 WeakPolarHBondContact O-CA 3.41Å; F366-G369 PolarHBondContact O-N 3.37Å; P367-G369 PolarHBondContact O-N 3.44Å; G369-T371 VanDerWaalsContact C-N 3.27Å; G369-T371 PolarHBondContact O-N 3.31Å; G369-F372 PolarHBondContact O-N 3.05Å; G369-F372 VanDerWaalsContact O-N 3.12Å; G369-R373 WeakPolarHBondContact O-CG 3.3Å; G369-R373 PolarHBondContact O-N 3.02Å
370	D	85.9	Confident	89.2	Confident	60 Å²	60	62.4 Å²	62.4	32%	0.321	36%	0.356	S	S	.	.	H	α-helix	trans	-62.6	-34.3	-175.2	-66.9	-14.3	0	0	0	112.2	P367 L368 F372 R373 N374	P367-D370 VanDerWaalsContact O-CB 3.25Å; P367-D370 WeakPolarHBondContact O-CB 3.46Å; P367-D370 PolarHBondContact O-N 2.68Å; P367-D370 VanDerWaalsContact O-N 3.08Å; L368-D370 VanDerWaalsContact C-N 3.26Å; L368-D370 PolarHBondContact O-N 2.71Å; D370-F372 VanDerWaalsContact C-N 3.29Å; D370-F372 PolarHBondContact O-N 3.49Å; D370-R373 PolarHBondContact O-N 2.77Å; D370-R373 IonicContact OD1-CZ 2.94Å; D370-R373 VanDerWaalsContact OD1-CZ 3.24Å; D370-R373 IonicContact OD1-NE 2.79Å; D370-R373 PolarHBondContact OD1-NE 2.81Å; D370-R373 IonicContact OD1-NH2 3.66Å; D370-R373 PolarHBondContact OD1-NH2 2.62Å; D370-N374 VanDerWaalsContact O-CB 3.23Å; D370-N374 WeakPolarHBondContact O-CB 3.22Å; D370-N374 PolarHBondContact O-N 3.38Å; D370-N374 PolarHBondContact O-ND2 2.95Å; D370-N374 PolarHBondContact O-OD1 3.44Å
371	T	88.3	Confident	89.1	Confident	111 Å²	111	62.7 Å²	62.7	68%	0.681	36%	0.357	S	S	*	.	H	α-helix	trans	-58	-42	175.6	-51	0	0	0	0	112.1	G369	G369-T371 VanDerWaalsContact C-N 3.27Å; G369-T371 PolarHBondContact O-N 3.31Å
372	F	89.5	Confident	89.2	Confident	73 Å²	73	65.1 Å²	65.1	32%	0.32	37%	0.372	S	S	.	.	H	α-helix	trans	-71.9	-44.9	176.5	176.3	-93.9	0	0	0	111.3	G369 D370 N375 W376 L501 Q504	G369-F372 PolarHBondContact O-N 3.05Å; G369-F372 VanDerWaalsContact O-N 3.12Å; D370-F372 VanDerWaalsContact C-N 3.29Å; D370-F372 PolarHBondContact O-N 3.49Å; F372-N375 PolarHBondContact O-N 3.34Å; F372-W376 HydrophobicContact CD1-CZ2 4.02Å; F372-W376 AromaticContact CD1-NE1 3.56Å; F372-W376 AromaticContact CE1-CE2 3.77Å; F372-W376 AromaticContact CE1-CZ2 3.78Å; F372-W376 HydrophobicContact CE1-CZ2 3.78Å; F372-W376 AromaticContact CE1-NE1 3.17Å; F372-W376 AromaticContact CZ-NE1 3.65Å; F372-W376 PolarHBondContact O-NE1 3.19Å; F372-L501 HydrophobicContact CE2-CD2 3.9Å; F372-L501 HydrophobicContact CZ-CD2 4.49Å; F372-Q504 VanDerWaalsContact CE2-NE2 3.25Å
373	R	88.6	Confident	89.3	Confident	24 Å²	24	67.3 Å²	67.3	9%	0.091	37%	0.372	C	S	.	.	H	α-helix	trans	-64.5	-41.1	-176.3	-68.4	-168.6	-74.7	179.6	-7.7	112.2	F366 G369 D370 N375 W376 I377 D468 R472	F366-R373 PolarHBondContact O-NH2 2.73Å; G369-R373 WeakPolarHBondContact O-CG 3.3Å; G369-R373 PolarHBondContact O-N 3.02Å; D370-R373 PolarHBondContact O-N 2.77Å; D370-R373 IonicContact OD1-CZ 2.94Å; D370-R373 VanDerWaalsContact OD1-CZ 3.24Å; D370-R373 IonicContact OD1-NE 2.79Å; D370-R373 PolarHBondContact OD1-NE 2.81Å; D370-R373 IonicContact OD1-NH2 3.66Å; D370-R373 PolarHBondContact OD1-NH2 2.62Å; R373-N375 PolarHBondContact O-N 3.24Å; R373-W376 HydrophobicContact CB-CH2 4.4Å; R373-W376 HydrophobicContact CB-CZ2 4.17Å; R373-W376 HydrophobicContact CG-CH2 4.1Å; R373-W376 HydrophobicContact CG-CZ2 3.87Å; R373-W376 PolarHBondContact O-N 2.95Å; R373-I377 VanDerWaalsContact O-CB 3.27Å; R373-I377 WeakPolarHBondContact O-CB 3.42Å; R373-I377 PolarHBondContact O-N 3.3Å; R373-D468 IonicContact NH1-OD1 3.69Å; R373-D468 PolarHBondContact NH1-OD1 3.25Å; R373-R472 VanDerWaalsContact NH1-NH2 3.18Å
374	N	89.7	Confident	89.2	Confident	104 Å²	104	65.7 Å²	65.7	56%	0.556	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-21.9	-176.4	-72.8	-15.7	0	0	0	113.6	D370 W376	D370-N374 VanDerWaalsContact O-CB 3.23Å; D370-N374 WeakPolarHBondContact O-CB 3.22Å; D370-N374 PolarHBondContact O-N 3.38Å; D370-N374 PolarHBondContact O-ND2 2.95Å; D370-N374 PolarHBondContact O-OD1 3.44Å; N374-W376 VanDerWaalsContact C-N 3.29Å; N374-W376 PolarHBondContact O-N 3.19Å
375	N	90.1	Very high	89.2	Confident	82 Å²	82	64.6 Å²	64.6	44%	0.439	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-23.6	178.8	-66.9	-18.9	0	0	0	113.5	F372 R373 Q504	F372-N375 PolarHBondContact O-N 3.34Å; R373-N375 PolarHBondContact O-N 3.24Å; N375-Q504 HydrophobicContact CB-CG 4.05Å; N375-Q504 PolarHBondContact ND2-NE2 3.31Å; N375-Q504 VanDerWaalsContact ND2-NE2 3.11Å
376	W	91.8	Very high	89.4	Confident	6 Å²	6	66 Å²	66	2%	0.023	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-136.8	-9.1	-175	51.7	-101.5	0	0	0	114.2	F372 R373 N374 S378 A379 L467 S471 F496 W499 K503	F372-W376 HydrophobicContact CD1-CZ2 4.02Å; F372-W376 AromaticContact CD1-NE1 3.56Å; F372-W376 AromaticContact CE1-CE2 3.77Å; F372-W376 AromaticContact CE1-CZ2 3.78Å; F372-W376 HydrophobicContact CE1-CZ2 3.78Å; F372-W376 AromaticContact CE1-NE1 3.17Å; F372-W376 AromaticContact CZ-NE1 3.65Å; F372-W376 PolarHBondContact O-NE1 3.19Å; R373-W376 HydrophobicContact CB-CH2 4.4Å; R373-W376 HydrophobicContact CB-CZ2 4.17Å; R373-W376 HydrophobicContact CG-CH2 4.1Å; R373-W376 HydrophobicContact CG-CZ2 3.87Å; R373-W376 PolarHBondContact O-N 2.95Å; N374-W376 VanDerWaalsContact C-N 3.29Å; N374-W376 PolarHBondContact O-N 3.19Å; W376-S378 PolarHBondContact O-N 3.15Å; W376-S378 VanDerWaalsContact O-N 3.16Å; W376-A379 VanDerWaalsContact O-CB 3.25Å; W376-A379 WeakPolarHBondContact O-CB 3.34Å; W376-A379 PolarHBondContact O-N 2.91Å; W376-L467 HydrophobicContact CE3-CD1 4.45Å; W376-L467 HydrophobicContact CZ3-CB 4.32Å; W376-L467 WeakPolarHBondContact O-CD1 3.41Å; W376-S471 VanDerWaalsContact CH2-CB 3.41Å; W376-F496 HydrophobicContact CE3-CZ 4.24Å; W376-F496 HydrophobicContact CH2-CE1 4.35Å; W376-F496 AromaticContact CH2-CZ 3.87Å; W376-F496 HydrophobicContact CH2-CZ 3.87Å; W376-F496 HydrophobicContact CZ2-CE1 4.45Å; W376-F496 HydrophobicContact CZ2-CZ 4.26Å; W376-F496 AromaticContact CZ3-CZ 3.84Å; W376-F496 HydrophobicContact CZ3-CZ 3.84Å; W376-W499 HydrophobicContact CB-CH2 4.19Å; W376-W499 HydrophobicContact CB-CZ3 4.02Å; W376-W499 HydrophobicContact CD2-CZ3 4.38Å; W376-W499 HydrophobicContact CE3-CZ3 4.27Å; W376-W499 HydrophobicContact CG-CZ3 4.29Å; W376-K503 HydrophobicContact CB-CB 3.81Å; W376-K503 HydrophobicContact CB-CG 4.32Å
377	I	90.9	Very high	89.6	Confident	54 Å²	54	65 Å²	65	28%	0.277	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-26.6	-175.2	-160.6	63.8	0	0	0	113.6	R373 A379 L467 D468	R373-I377 VanDerWaalsContact O-CB 3.27Å; R373-I377 WeakPolarHBondContact O-CB 3.42Å; R373-I377 PolarHBondContact O-N 3.3Å; I377-A379 VanDerWaalsContact C-N 3.32Å; I377-L467 HydrophobicContact CD1-CB 4.38Å; I377-D468 HydrophobicContact CD1-CB 3.79Å
378	S	90.1	Very high	90	Very high	108 Å²	108	61.9 Å²	61.9	76%	0.755	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-8.3	177.3	61.4	0	0	0	0	114	W376	W376-S378 PolarHBondContact O-N 3.15Å; W376-S378 VanDerWaalsContact O-N 3.16Å
379	A	92	Very high	90.3	Very high	15 Å²	15	56.5 Å²	56.5	12%	0.124	34%	0.335	C	S	.	.	S	Bend	trans	-68.7	156.8	176.6	0	0	0	0	0	111	W376 I377 E383 L467 W499	W376-A379 VanDerWaalsContact O-CB 3.25Å; W376-A379 WeakPolarHBondContact O-CB 3.34Å; W376-A379 PolarHBondContact O-N 2.91Å; I377-A379 VanDerWaalsContact C-N 3.32Å; A379-E383 HydrophobicContact CB-CB 4.4Å; A379-E383 WeakPolarHBondContact CB-OE2 3.06Å; A379-L467 HydrophobicContact CB-CD1 3.72Å; A379-L467 WeakPolarHBondContact O-CD1 3.49Å; A379-W499 HydrophobicContact CB-CH2 3.94Å; A379-W499 HydrophobicContact CB-CZ2 4.19Å
380	T	90.6	Very high	90.8	Very high	66 Å²	66	62.1 Å²	62.1	41%	0.405	35%	0.352	S	S	.	.			trans	-84.3	163.6	177.8	69.5	0	0	0	0	111.7	D382 E383 L384	T380-D382 PolarHBondContact O-N 2.81Å; T380-D382 PolarHBondContact OG1-N 2.79Å; T380-E383 PolarHBondContact O-N 3.06Å; T380-E383 PolarHBondContact OG1-N 2.97Å; T380-E383 VanDerWaalsContact OG1-N 3.16Å; T380-L384 PolarHBondContact O-N 3.5Å
381	L	89.9	Confident	91.2	Very high	11 Å²	11	60.5 Å²	60.5	6%	0.058	34%	0.344	C	S	.	.	H	α-helix	trans	-64.5	-30.7	171.4	-67.3	176.4	0	0	0	112.1	L384 I385 E463 L467 V470 L482	L381-L384 WeakPolarHBondContact O-CB 3.39Å; L381-L384 PolarHBondContact O-N 3.16Å; L381-I385 WeakPolarHBondContact O-CB 3.42Å; L381-I385 WeakPolarHBondContact O-CD1 3.45Å; L381-I385 VanDerWaalsContact O-CG1 3.25Å; L381-I385 WeakPolarHBondContact O-CG1 3.49Å; L381-I385 PolarHBondContact O-N 2.92Å; L381-E463 HydrophobicContact CD1-CB 4.15Å; L381-E463 HydrophobicContact CD1-CG 3.97Å; L381-L467 HydrophobicContact CD2-CD2 3.67Å; L381-L467 HydrophobicContact CD2-CG 4.1Å; L381-V470 HydrophobicContact CD2-CG2 4.12Å; L381-L482 HydrophobicContact CB-CD2 4.37Å; L381-L482 HydrophobicContact CD1-CD1 3.86Å; L381-L482 HydrophobicContact CD2-CD1 3.99Å; L381-L482 HydrophobicContact CD2-CD2 3.93Å; L381-L482 HydrophobicContact CG-CD1 4.49Å
382	D	91.6	Very high	91.5	Very high	78 Å²	78	55.8 Å²	55.8	42%	0.417	32%	0.315	S	S	.	.	H	α-helix	trans	-63.4	-43.1	173.3	-66.2	-50.5	0	0	0	111.7	T380 L384 I385 V386 N484	T380-D382 PolarHBondContact O-N 2.81Å; T380-D382 PolarHBondContact OG1-N 2.79Å; D382-L384 VanDerWaalsContact C-N 3.28Å; D382-L384 PolarHBondContact O-N 3.22Å; D382-I385 PolarHBondContact O-N 3.01Å; D382-V386 WeakPolarHBondContact O-CB 3.46Å; D382-V386 VanDerWaalsContact O-CG2 3.27Å; D382-V386 WeakPolarHBondContact O-CG2 3.46Å; D382-V386 PolarHBondContact O-N 2.52Å; D382-N484 PolarHBondContact OD1-ND2 2.92Å
383	E	92	Very high	91.8	Very high	83 Å²	83	56.2 Å²	56.2	39%	0.388	32%	0.315	S	S	.	.	H	α-helix	trans	-62.1	-36.4	175.2	-75.1	-179	-140.2	0	0	112.6	A379 T380 G387 W499 K503	A379-E383 HydrophobicContact CB-CB 4.4Å; A379-E383 WeakPolarHBondContact CB-OE2 3.06Å; T380-E383 PolarHBondContact O-N 3.06Å; T380-E383 PolarHBondContact OG1-N 2.97Å; T380-E383 VanDerWaalsContact OG1-N 3.16Å; E383-G387 PolarHBondContact O-N 2.89Å; E383-W499 PolarHBondContact O-NE1 2.75Å; E383-W499 VanDerWaalsContact O-NE1 3.13Å; E383-K503 IonicContact OE2-NZ 2.69Å; E383-K503 PolarHBondContact OE2-NZ 3.08Å
384	L	93.1	Very high	92.2	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-63.7	-54.8	171.5	172.9	64.1	0	0	0	110.3	T380 L381 D382 V386 G387 L388 L467 V470 L482 V491 F496 W499	T380-L384 PolarHBondContact O-N 3.5Å; L381-L384 WeakPolarHBondContact O-CB 3.39Å; L381-L384 PolarHBondContact O-N 3.16Å; D382-L384 VanDerWaalsContact C-N 3.28Å; D382-L384 PolarHBondContact O-N 3.22Å; L384-V386 VanDerWaalsContact C-N 3.32Å; L384-V386 PolarHBondContact O-N 3.09Å; L384-G387 PolarHBondContact O-N 3.02Å; L384-L388 HydrophobicContact CD1-CD1 3.89Å; L384-L388 HydrophobicContact CD1-CD2 4.12Å; L384-L388 HydrophobicContact CD1-CG 3.92Å; L384-L388 HydrophobicContact CD2-CD1 4.43Å; L384-L388 HydrophobicContact CG-CD1 3.8Å; L384-L388 HydrophobicContact CG-CG 4.27Å; L384-L388 VanDerWaalsContact O-CG 3.31Å; L384-L388 WeakPolarHBondContact O-CG 3.49Å; L384-L388 PolarHBondContact O-N 3.41Å; L384-L388 VanDerWaalsContact O-N 3.17Å; L384-L467 HydrophobicContact CB-CD2 3.81Å; L384-L467 HydrophobicContact CD2-CD2 3.48Å; L384-L467 VanDerWaalsContact CD2-CD2 3.48Å; L384-L467 HydrophobicContact CG-CD2 4.19Å; L384-V470 HydrophobicContact CD2-CG1 4.1Å; L384-L482 HydrophobicContact CD2-CD2 4.39Å; L384-V491 HydrophobicContact CD2-CG1 4.42Å; L384-V491 HydrophobicContact CD2-CG2 4.42Å; L384-F496 HydrophobicContact CD1-CD2 3.87Å; L384-F496 HydrophobicContact CD1-CE2 4.29Å; L384-F496 HydrophobicContact CD2-CD2 4.26Å; L384-F496 HydrophobicContact CD2-CE2 4.37Å; L384-W499 HydrophobicContact CB-CH2 4.31Å; L384-W499 HydrophobicContact CB-CZ2 3.93Å; L384-W499 HydrophobicContact CD1-CB 4.36Å; L384-W499 HydrophobicContact CD1-CD2 3.47Å; L384-W499 VanDerWaalsContact CD1-CD2 3.47Å; L384-W499 HydrophobicContact CD1-CE3 3.67Å; L384-W499 HydrophobicContact CD1-CG 3.77Å; L384-W499 HydrophobicContact CD1-CH2 4.47Å; L384-W499 HydrophobicContact CD1-CZ2 4.28Å; L384-W499 HydrophobicContact CD1-CZ3 4.18Å
385	I	92.9	Very high	92.5	Very high	27 Å²	27	53.1 Å²	53.1	14%	0.138	30%	0.302	C	S	.	.	H	α-helix	trans	-58.4	-41.9	-176	-72.1	161.3	0	0	0	112	L381 D382 G387 L388 L482 N484 Y489	L381-I385 WeakPolarHBondContact O-CB 3.42Å; L381-I385 WeakPolarHBondContact O-CD1 3.45Å; L381-I385 VanDerWaalsContact O-CG1 3.25Å; L381-I385 WeakPolarHBondContact O-CG1 3.49Å; L381-I385 PolarHBondContact O-N 2.92Å; D382-I385 PolarHBondContact O-N 3.01Å; I385-G387 PolarHBondContact O-N 2.9Å; I385-L388 PolarHBondContact O-N 2.78Å; I385-L482 HydrophobicContact CD1-CD2 3.96Å; I385-L482 HydrophobicContact CG1-CD2 4.04Å; I385-N484 HydrophobicContact CD1-CB 3.65Å; I385-N484 WeakPolarHBondContact CD1-ND2 3.23Å; I385-Y489 HydrophobicContact CD1-CD1 4.33Å; I385-Y489 HydrophobicContact CD1-CD2 3.72Å; I385-Y489 HydrophobicContact CD1-CE1 4.43Å; I385-Y489 HydrophobicContact CD1-CE2 3.86Å; I385-Y489 HydrophobicContact CD1-CG 3.98Å; I385-Y489 HydrophobicContact CG1-CD1 4.19Å; I385-Y489 HydrophobicContact CG1-CD2 4.33Å; I385-Y489 HydrophobicContact CG1-CG 4.07Å; I385-Y489 HydrophobicContact CG2-CD1 3.65Å; I385-Y489 HydrophobicContact CG2-CE1 3.44Å; I385-Y489 VanDerWaalsContact CG2-CE1 3.44Å; I385-Y489 HydrophobicContact CG2-CG 4.35Å
386	V	92.8	Very high	92.5	Very high	128 Å²	128	49.9 Å²	49.9	78%	0.776	29%	0.288	S	S	*	.	H	α-helix	trans	-63	-32.9	177.1	169.5	0	0	0	0	111.9	D382 L384	D382-V386 WeakPolarHBondContact O-CB 3.46Å; D382-V386 VanDerWaalsContact O-CG2 3.27Å; D382-V386 WeakPolarHBondContact O-CG2 3.46Å; D382-V386 PolarHBondContact O-N 2.52Å; L384-V386 VanDerWaalsContact C-N 3.32Å; L384-V386 PolarHBondContact O-N 3.09Å
387	G	91.1	Very high	92.6	Very high	47 Å²	47	57.3 Å²	57.3	49%	0.485	32%	0.323	S	S	.	.	H	α-helix	trans	-86.4	-5.5	179.7	0	0	0	0	0	115	E383 L384 I385	E383-G387 PolarHBondContact O-N 2.89Å; L384-G387 PolarHBondContact O-N 3.02Å; I385-G387 PolarHBondContact O-N 2.9Å
388	L	91.9	Very high	92.8	Very high	24 Å²	24	58 Å²	58	13%	0.126	33%	0.325	C	S	.	.	S	Bend	trans	-92.8	157.8	-179.3	-72.1	173	0	0	0	112.4	L384 I385 V491 D495	L384-L388 HydrophobicContact CD1-CD1 3.89Å; L384-L388 HydrophobicContact CD1-CD2 4.12Å; L384-L388 HydrophobicContact CD1-CG 3.92Å; L384-L388 HydrophobicContact CD2-CD1 4.43Å; L384-L388 HydrophobicContact CG-CD1 3.8Å; L384-L388 HydrophobicContact CG-CG 4.27Å; L384-L388 VanDerWaalsContact O-CG 3.31Å; L384-L388 WeakPolarHBondContact O-CG 3.49Å; L384-L388 PolarHBondContact O-N 3.41Å; L384-L388 VanDerWaalsContact O-N 3.17Å; I385-L388 PolarHBondContact O-N 2.78Å; L388-V491 HydrophobicContact CD1-CB 4.14Å; L388-V491 HydrophobicContact CD1-CG1 3.82Å; L388-V491 HydrophobicContact CD1-CG2 3.67Å; L388-V491 HydrophobicContact CD2-CG1 4.37Å; L388-D495 HydrophobicContact CD2-CB 3.64Å
389	P	90.4	Very high	93.2	Very high	59 Å²	59	54.3 Å²	54.3	38%	0.383	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-54.3	148.2	164.9	-23.3	34.2	0	0	0	111.6	T391 D495	P389-T391 PolarHBondContact O-N 2.82Å; P389-D495 HydrophobicContact CG-CB 4.34Å
390	K	92.4	Very high	93.5	Very high	144 Å²	144	53.6 Å²	53.6	63%	0.626	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-54.1	125.9	178.1	178.4	-174.1	168.1	-157.8	0	110.4	V392 E410	K390-V392 PolarHBondContact O-N 3.07Å; K390-E410 IonicContact NZ-OE2 3.01Å; K390-E410 PolarHBondContact NZ-OE2 3.43Å
391	T	94.3	Very high	93.8	Very high	27 Å²	27	56.4 Å²	56.4	17%	0.166	30%	0.299	C	S	.	.			trans	-69.8	114.9	170.2	-65.1	0	0	0	0	109.7	P389 R393 L416 L490	P389-T391 PolarHBondContact O-N 2.82Å; T391-R393 HydrophobicContact CG2-CG 4.26Å; T391-L416 HydrophobicContact CG2-CD1 3.55Å; T391-L416 HydrophobicContact CG2-CG 3.9Å; T391-L490 HydrophobicContact CG2-CB 4.13Å; T391-L490 PolarHBondContact OG1-N 3.19Å
392	V	96	Very high	94.2	Very high	12 Å²	12	59.5 Å²	59.5	7%	0.073	32%	0.315	C	S	.	.			trans	-92	127.8	175.9	-175.7	0	0	0	0	109.5	K390 L406 E410 V412 L415 L416	K390-V392 PolarHBondContact O-N 3.07Å; V392-L406 HydrophobicContact CG1-CD2 3.63Å; V392-L406 HydrophobicContact CG1-CG 4.03Å; V392-E410 HydrophobicContact CG1-CG 4.41Å; V392-E410 HydrophobicContact CG2-CB 3.7Å; V392-E410 HydrophobicContact CG2-CG 3.75Å; V392-V412 HydrophobicContact CB-CG2 4.42Å; V392-V412 HydrophobicContact CG2-CG1 4.01Å; V392-V412 HydrophobicContact CG2-CG2 4.06Å; V392-L415 HydrophobicContact CB-CD2 3.57Å; V392-L415 HydrophobicContact CG1-CD2 3.64Å; V392-L415 HydrophobicContact CG2-CD2 4.44Å; V392-L416 PolarHBondContact O-N 3.14Å
393	R	95.7	Very high	94.4	Very high	82 Å²	82	55.8 Å²	55.8	31%	0.309	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	132.1	-177	-57.5	171.5	-176.1	170.6	2.1	109.1	T391 L416 I418 N487 P488	T391-R393 HydrophobicContact CG2-CG 4.26Å; R393-L416 CarbonylContact C-O 3.57Å; R393-L416 WeakPolarHBondContact CA-O 3.41Å; R393-L416 HydrophobicContact CG-CB 4.35Å; R393-I418 HydrophobicContact CB-CD1 3.84Å; R393-I418 HydrophobicContact CB-CG1 4.17Å; R393-I418 HydrophobicContact CG-CD1 4.43Å; R393-N487 PolarHBondContact NH1-OD1 3.05Å; R393-N487 VanDerWaalsContact NH1-OD1 3.08Å; R393-N487 PolarHBondContact NH2-OD1 3.34Å; R393-P488 PolarHBondContact NE-O 3.47Å; R393-P488 PolarHBondContact NH2-O 3.38Å
394	I	96.4	Very high	94.6	Very high	5 Å²	5	54.9 Å²	54.9	3%	0.026	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	155.5	177	59.9	168.1	0	0	0	111	H398 A403 L406 L415 L416 V417 I418 V450	I394-H398 HydrophobicContact CD1-CB 4.36Å; I394-A403 HydrophobicContact CD1-CB 3.86Å; I394-L406 HydrophobicContact CG2-CD2 3.42Å; I394-L406 VanDerWaalsContact CG2-CD2 3.42Å; I394-L415 HydrophobicContact CD1-CB 4.21Å; I394-L415 HydrophobicContact CD1-CD1 3.77Å; I394-L415 HydrophobicContact CG1-CB 4.17Å; I394-L415 HydrophobicContact CG1-CD1 4.34Å; I394-L415 HydrophobicContact CG2-CD1 4.05Å; I394-L416 PolarHBondContact N-O 2.78Å; I394-V417 HydrophobicContact CD1-CG2 4.21Å; I394-V417 HydrophobicContact CG1-CG2 4.18Å; I394-V417 CarbonylContact O-C 3.57Å; I394-V417 WeakPolarHBondContact O-CA 3.33Å; I394-I418 PolarHBondContact O-N 2.83Å; I394-V450 HydrophobicContact CD1-CB 4.45Å; I394-V450 HydrophobicContact CD1-CG1 4.02Å; I394-V450 HydrophobicContact CD1-CG2 4.09Å
395	T	95.3	Very high	94.8	Very high	58 Å²	58	59 Å²	59	36%	0.356	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	159.9	171	65.2	0	0	0	0	110.7	E397 H398	T395-E397 PolarHBondContact O-N 3.33Å; T395-H398 PolarHBondContact N-ND1 3.31Å; T395-H398 PolarHBondContact O-N 3.02Å; T395-H398 PolarHBondContact O-ND1 3.27Å; T395-H398 PolarHBondContact OG1-CE1 3.22Å; T395-H398 PolarHBondContact OG1-ND1 2.61Å
396	G	90.6	Very high	95	Very high	14 Å²	14	60 Å²	60	14%	0.144	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-5.6	177.4	0	0	0	0	0	116.2	V451	G396-V451 VanDerWaalsContact CA-CG1 3.41Å
397	E	93.8	Very high	95.1	Very high	161 Å²	161	55.2 Å²	55.2	75%	0.752	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-9.9	-177.8	-60.7	176.7	163.6	0	0	113.4	T395 L449	T395-E397 PolarHBondContact O-N 3.33Å; E397-L449 VanDerWaalsContact O-CD2 3.3Å; E397-L449 WeakPolarHBondContact O-CD2 3.39Å
398	H	96.4	Very high	95.3	Very high	68 Å²	68	63.3 Å²	63.3	32%	0.315	31%	0.308	S	S	.	.	S	Bend	trans	-71.1	147.1	176	-67.9	73.4	0	0	0	110.8	I394 T395 L449 V450	I394-H398 HydrophobicContact CD1-CB 4.36Å; T395-H398 PolarHBondContact N-ND1 3.31Å; T395-H398 PolarHBondContact O-N 3.02Å; T395-H398 PolarHBondContact O-ND1 3.27Å; T395-H398 PolarHBondContact OG1-CE1 3.22Å; T395-H398 PolarHBondContact OG1-ND1 2.61Å; H398-L449 WeakPolarHBondContact O-CA 3.32Å; H398-V450 HydrophobicContact CB-CG1 4.39Å; H398-V450 HydrophobicContact CB-CG2 4.47Å; H398-V450 WeakPolarHBondContact O-CG1 3.42Å; H398-V450 PolarHBondContact O-N 2.96Å
399	T	97.8	Very high	95.5	Very high	31 Å²	31	66.1 Å²	66.1	19%	0.19	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-78.9	159.2	170.8	72.7	0	0	0	0	111.2	K401 D402 A403 D448	T399-K401 PolarHBondContact O-N 3.05Å; T399-D402 WeakPolarHBondContact CB-OD2 3.26Å; T399-D402 WeakPolarHBondContact CG2-OD2 3.32Å; T399-D402 PolarHBondContact N-OD2 3.12Å; T399-D402 PolarHBondContact O-N 3.3Å; T399-D402 PolarHBondContact OG1-N 3.49Å; T399-D402 VanDerWaalsContact OG1-N 3.13Å; T399-D402 PolarHBondContact OG1-OD2 2.75Å; T399-A403 WeakPolarHBondContact O-CB 3.49Å; T399-A403 PolarHBondContact O-N 3.16Å; T399-D448 CarbonylContact C-O 3.57Å; T399-D448 WeakPolarHBondContact CA-O 3.41Å
400	I	97.6	Very high	95.7	Very high	1 Å²	1	67 Å²	67	1%	0.005	33%	0.329	C	S	.	.	H	α-helix	trans	-55.5	-39.4	173.8	-69.5	169.9	0	0	0	111	T404 F431 V435 L439 V444 D448 A453	I400-T404 WeakPolarHBondContact O-CB 3.35Å; I400-T404 PolarHBondContact O-N 3.23Å; I400-T404 PolarHBondContact O-OG1 2.94Å; I400-F431 HydrophobicContact CB-CE2 4.38Å; I400-F431 HydrophobicContact CG1-CE2 4.17Å; I400-F431 HydrophobicContact CG2-CE2 4.11Å; I400-F431 HydrophobicContact CG2-CZ 4.02Å; I400-V435 HydrophobicContact CD1-CG2 4.08Å; I400-V435 HydrophobicContact CG1-CG2 4.4Å; I400-V435 HydrophobicContact CG2-CG2 3.86Å; I400-L439 HydrophobicContact CG2-CD1 4.34Å; I400-V444 HydrophobicContact CD1-CB 3.9Å; I400-V444 HydrophobicContact CD1-CG2 3.66Å; I400-D448 HydrophobicContact CD1-CB 4.13Å; I400-D448 WeakPolarHBondContact CG1-O 3.46Å; I400-D448 PolarHBondContact N-O 3.37Å; I400-A453 HydrophobicContact CD1-CB 3.56Å; I400-A453 HydrophobicContact CG1-CB 3.99Å
401	K	97.4	Very high	95.8	Very high	125 Å²	125	67 Å²	67	54%	0.543	34%	0.336	S	S	.	.	H	α-helix	trans	-65.8	-45.5	177	-172.4	177.6	-179.6	-177	0	112.1	T399 T404 N405 P446	T399-K401 PolarHBondContact O-N 3.05Å; K401-T404 PolarHBondContact O-N 3.27Å; K401-N405 VanDerWaalsContact O-CG 3.29Å; K401-N405 PolarHBondContact O-N 2.77Å; K401-N405 PolarHBondContact O-ND2 3.03Å; K401-P446 HydrophobicContact CB-CB 4.31Å; K401-P446 WeakPolarHBondContact CB-O 3.09Å; K401-P446 PolarHBondContact N-O 2.82Å
402	D	97.6	Very high	95.8	Very high	76 Å²	76	66.7 Å²	66.7	41%	0.406	33%	0.334	S	S	.	.	H	α-helix	trans	-62.8	-45.1	179.1	-59.1	-35.9	0	0	0	111	T399 T404 N405 L406	T399-D402 WeakPolarHBondContact CB-OD2 3.26Å; T399-D402 WeakPolarHBondContact CG2-OD2 3.32Å; T399-D402 PolarHBondContact N-OD2 3.12Å; T399-D402 PolarHBondContact O-N 3.3Å; T399-D402 PolarHBondContact OG1-N 3.49Å; T399-D402 VanDerWaalsContact OG1-N 3.13Å; T399-D402 PolarHBondContact OG1-OD2 2.75Å; D402-T404 PolarHBondContact O-N 3.42Å; D402-N405 PolarHBondContact O-N 3.38Å; D402-L406 WeakPolarHBondContact O-CB 3.48Å; D402-L406 PolarHBondContact O-N 3.41Å
403	A	97.3	Very high	95.6	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-61.1	-42.3	176.3	0	0	0	0	0	112.4	I394 T399 L406 M407 L415 F431 V450	I394-A403 HydrophobicContact CD1-CB 3.86Å; T399-A403 WeakPolarHBondContact O-CB 3.49Å; T399-A403 PolarHBondContact O-N 3.16Å; A403-L406 PolarHBondContact O-N 3.48Å; A403-M407 WeakPolarHBondContact O-CG 3.32Å; A403-M407 PolarHBondContact O-N 3.36Å; A403-L415 HydrophobicContact CB-CD1 3.92Å; A403-L415 WeakPolarHBondContact O-CD1 3.44Å; A403-F431 HydrophobicContact CB-CD1 3.66Å; A403-F431 HydrophobicContact CB-CD2 4.47Å; A403-F431 HydrophobicContact CB-CE1 3.49Å; A403-F431 VanDerWaalsContact CB-CE1 3.49Å; A403-F431 HydrophobicContact CB-CE2 4.33Å; A403-F431 HydrophobicContact CB-CG 4.16Å; A403-F431 HydrophobicContact CB-CZ 3.85Å; A403-V450 HydrophobicContact CB-CG1 3.5Å; A403-V450 VanDerWaalsContact CB-CG1 3.5Å
404	T	96.6	Very high	95.6	Very high	64 Å²	64	67.7 Å²	67.7	39%	0.393	34%	0.338	S	S	.	.	H	α-helix	trans	-64.8	-40.4	176.2	-56	0	0	0	0	111.9	I400 K401 D402 L406 M407 R408	I400-T404 WeakPolarHBondContact O-CB 3.35Å; I400-T404 PolarHBondContact O-N 3.23Å; I400-T404 PolarHBondContact O-OG1 2.94Å; K401-T404 PolarHBondContact O-N 3.27Å; D402-T404 PolarHBondContact O-N 3.42Å; T404-L406 VanDerWaalsContact C-N 3.33Å; T404-M407 PolarHBondContact O-N 3.38Å; T404-R408 PolarHBondContact O-N 3.12Å
405	N	97.3	Very high	95.6	Very high	87 Å²	87	67.4 Å²	67.4	47%	0.465	34%	0.337	S	S	.	.	H	α-helix	trans	-63.2	-41.2	175.2	-71.2	-24.8	0	0	0	111.4	K401 D402 R408 S409	K401-N405 VanDerWaalsContact O-CG 3.29Å; K401-N405 PolarHBondContact O-N 2.77Å; K401-N405 PolarHBondContact O-ND2 3.03Å; D402-N405 PolarHBondContact O-N 3.38Å; N405-R408 WeakPolarHBondContact O-CB 3.29Å; N405-R408 PolarHBondContact O-N 3.37Å; N405-S409 PolarHBondContact O-N 2.88Å; N405-S409 PolarHBondContact O-OG 3.33Å
406	L	96.6	Very high	95.7	Very high	47 Å²	47	64.7 Å²	64.7	25%	0.246	32%	0.32	C	S	.	.	H	α-helix	trans	-66.5	-41.6	178.6	-173.4	65.2	0	0	0	112.3	V392 I394 D402 A403 T404 R408 S409 E410 L415	V392-L406 HydrophobicContact CG1-CD2 3.63Å; V392-L406 HydrophobicContact CG1-CG 4.03Å; I394-L406 HydrophobicContact CG2-CD2 3.42Å; I394-L406 VanDerWaalsContact CG2-CD2 3.42Å; D402-L406 WeakPolarHBondContact O-CB 3.48Å; D402-L406 PolarHBondContact O-N 3.41Å; A403-L406 PolarHBondContact O-N 3.48Å; T404-L406 VanDerWaalsContact C-N 3.33Å; L406-R408 PolarHBondContact O-N 2.91Å; L406-S409 WeakPolarHBondContact CA-OG 3.44Å; L406-S409 PolarHBondContact O-N 2.87Å; L406-S409 PolarHBondContact O-OG 3.37Å; L406-S409 VanDerWaalsContact O-OG 3.13Å; L406-E410 HydrophobicContact CD1-CG 3.8Å; L406-E410 HydrophobicContact CG-CG 4.25Å; L406-E410 WeakPolarHBondContact O-CB 3.23Å; L406-E410 PolarHBondContact O-N 3.34Å; L406-L415 HydrophobicContact CB-CD1 4.42Å; L406-L415 HydrophobicContact CD2-CD1 4.21Å
407	M	95.3	Very high	96	Very high	28 Å²	28	64 Å²	64	14%	0.138	31%	0.313	C	S	.	.	H	α-helix	trans	-55.2	-42.4	172.6	-75.8	177.3	59.2	0	0	111.6	A403 T404 N411 V412 R413 L415 F431	A403-M407 WeakPolarHBondContact O-CG 3.32Å; A403-M407 PolarHBondContact O-N 3.36Å; T404-M407 PolarHBondContact O-N 3.38Å; M407-N411 WeakPolarHBondContact O-CA 3.48Å; M407-N411 PolarHBondContact O-N 2.9Å; M407-N411 VanDerWaalsContact O-N 3.09Å; M407-V412 HydrophobicContact CB-CG2 4.46Å; M407-V412 HydrophobicContact CG-CG2 4.39Å; M407-V412 PolarHBondContact O-N 3.28Å; M407-R413 VanDerWaalsContact CE-C 3.41Å; M407-R413 WeakPolarHBondContact CE-O 3.32Å; M407-L415 HydrophobicContact CG-CD1 3.78Å; M407-L415 HydrophobicContact CG-CD2 3.78Å; M407-L415 HydrophobicContact CG-CG 3.5Å; M407-L415 HydrophobicContact SD-CG 4.3Å; M407-F431 HydrophobicContact SD-CD1 3.55Å; M407-F431 VanDerWaalsContact SD-CD1 3.55Å; M407-F431 HydrophobicContact SD-CE1 3.58Å; M407-F431 VanDerWaalsContact SD-CE1 3.58Å
408	R	95.1	Very high	96	Very high	216 Å²	216	57.2 Å²	57.2	82%	0.815	28%	0.281	S	S	*	.	H	α-helix	trans	-68.7	-44.3	178	-175.3	-179.5	179.4	-177.5	0.6	112.5	T404 N405 L406 N411	T404-R408 PolarHBondContact O-N 3.12Å; N405-R408 WeakPolarHBondContact O-CB 3.29Å; N405-R408 PolarHBondContact O-N 3.37Å; L406-R408 PolarHBondContact O-N 2.91Å; R408-N411 PolarHBondContact O-N 2.68Å
409	S	96.3	Very high	95.9	Very high	84 Å²	84	59.5 Å²	59.5	59%	0.587	29%	0.29	S	S	*	.	H	α-helix	trans	-71.5	-38.2	-176.5	62.9	0	0	0	0	112.9	N405 L406 N411	N405-S409 PolarHBondContact O-N 2.88Å; N405-S409 PolarHBondContact O-OG 3.33Å; L406-S409 WeakPolarHBondContact CA-OG 3.44Å; L406-S409 PolarHBondContact O-N 2.87Å; L406-S409 PolarHBondContact O-OG 3.37Å; L406-S409 VanDerWaalsContact O-OG 3.13Å; S409-N411 VanDerWaalsContact C-N 3.27Å
410	E	94.8	Very high	95.4	Very high	77 Å²	77	62.8 Å²	62.8	36%	0.36	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-3.2	176.6	-60.6	-75.6	124.5	0	0	112.2	K390 V392 L406 V412	K390-E410 IonicContact NZ-OE2 3.01Å; K390-E410 PolarHBondContact NZ-OE2 3.43Å; V392-E410 HydrophobicContact CG1-CG 4.41Å; V392-E410 HydrophobicContact CG2-CB 3.7Å; V392-E410 HydrophobicContact CG2-CG 3.75Å; L406-E410 HydrophobicContact CD1-CG 3.8Å; L406-E410 HydrophobicContact CG-CG 4.25Å; L406-E410 WeakPolarHBondContact O-CB 3.23Å; L406-E410 PolarHBondContact O-N 3.34Å; E410-V412 HydrophobicContact CB-CG1 4.27Å; E410-V412 HydrophobicContact CB-CG2 4.22Å; E410-V412 PolarHBondContact O-N 3.42Å
411	N	93.2	Very high	94.7	Very high	145 Å²	145	67.6 Å²	67.6	78%	0.775	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	48.8	-177.9	-168.5	43.9	0	0	0	113.2	M407 R408 S409	M407-N411 WeakPolarHBondContact O-CA 3.48Å; M407-N411 PolarHBondContact O-N 2.9Å; M407-N411 VanDerWaalsContact O-N 3.09Å; R408-N411 PolarHBondContact O-N 2.68Å; S409-N411 VanDerWaalsContact C-N 3.27Å
412	V	94.4	Very high	94	Very high	19 Å²	19	64.8 Å²	64.8	12%	0.115	34%	0.339	C	S	.	.			trans	-117.2	149.7	-179.7	-64.3	0	0	0	0	111.7	V392 M407 E410 L415	V392-V412 HydrophobicContact CB-CG2 4.42Å; V392-V412 HydrophobicContact CG2-CG1 4.01Å; V392-V412 HydrophobicContact CG2-CG2 4.06Å; M407-V412 HydrophobicContact CB-CG2 4.46Å; M407-V412 HydrophobicContact CG-CG2 4.39Å; M407-V412 PolarHBondContact O-N 3.28Å; E410-V412 HydrophobicContact CB-CG1 4.27Å; E410-V412 HydrophobicContact CB-CG2 4.22Å; E410-V412 PolarHBondContact O-N 3.42Å; V412-L415 HydrophobicContact CG2-CD2 3.62Å
413	R	92.9	Very high	93.3	Very high	111 Å²	111	67.3 Å²	67.3	42%	0.419	36%	0.358	S	S	.	.	S	Bend	trans	-82.7	-13.7	-179	-67.7	-157.3	-176.7	84.9	-5.8	115	M407 D494 D495	M407-R413 VanDerWaalsContact CE-C 3.41Å; M407-R413 WeakPolarHBondContact CE-O 3.32Å; R413-D494 VanDerWaalsContact CZ-CB 3.48Å; R413-D494 IonicContact CZ-OD2 3.14Å; R413-D494 IonicContact NE-OD2 3.77Å; R413-D494 PolarHBondContact NE-OD2 3.2Å; R413-D494 VanDerWaalsContact NE-OD2 3.14Å; R413-D494 IonicContact NH1-OD2 2.78Å; R413-D494 IonicContact NH2-OD2 3.96Å; R413-D494 PolarHBondContact NH2-OD2 3.28Å; R413-D495 IonicContact CZ-OD1 2.87Å; R413-D495 IonicContact NH1-OD1 3.89Å; R413-D495 PolarHBondContact NH1-OD1 2.91Å; R413-D495 IonicContact NH1-OD2 3.68Å
414	G	95.2	Very high	92.7	Very high	4 Å²	4	74.3 Å²	74.3	4%	0.041	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	166.5	176.9	0	0	0	0	0	111.6	F431	G414-F431 CarbonylContact C-O 3.58Å; G414-F431 WeakPolarHBondContact CA-O 3.05Å
415	L	97.1	Very high	92.4	Very high	0 Å²	0	73 Å²	73	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	141	-179.9	-50.8	176.3	0	0	0	109.6	V392 I394 A403 L406 M407 V412 V417 V430 F431	V392-L415 HydrophobicContact CB-CD2 3.57Å; V392-L415 HydrophobicContact CG1-CD2 3.64Å; V392-L415 HydrophobicContact CG2-CD2 4.44Å; I394-L415 HydrophobicContact CD1-CB 4.21Å; I394-L415 HydrophobicContact CD1-CD1 3.77Å; I394-L415 HydrophobicContact CG1-CB 4.17Å; I394-L415 HydrophobicContact CG1-CD1 4.34Å; I394-L415 HydrophobicContact CG2-CD1 4.05Å; A403-L415 HydrophobicContact CB-CD1 3.92Å; A403-L415 WeakPolarHBondContact O-CD1 3.44Å; L406-L415 HydrophobicContact CB-CD1 4.42Å; L406-L415 HydrophobicContact CD2-CD1 4.21Å; M407-L415 HydrophobicContact CG-CD1 3.78Å; M407-L415 HydrophobicContact CG-CD2 3.78Å; M407-L415 HydrophobicContact CG-CG 3.5Å; M407-L415 HydrophobicContact SD-CG 4.3Å; V412-L415 HydrophobicContact CG2-CD2 3.62Å; L415-V417 PolarHBondContact O-N 2.79Å; L415-V430 WeakPolarHBondContact O-CA 3.46Å; L415-F431 HydrophobicContact CB-CB 4.39Å; L415-F431 HydrophobicContact CD1-CD1 4.21Å; L415-F431 PolarHBondContact N-O 2.99Å; L415-F431 PolarHBondContact O-N 3.3Å
416	L	96.8	Very high	92	Very high	0 Å²	0	71 Å²	71	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	119.7	167.6	-64.9	-174.3	0	0	0	109.3	T391 V392 R393 I394 I418 V427 V430 V481 P488 L490	T391-L416 HydrophobicContact CG2-CD1 3.55Å; T391-L416 HydrophobicContact CG2-CG 3.9Å; V392-L416 PolarHBondContact O-N 3.14Å; R393-L416 CarbonylContact C-O 3.57Å; R393-L416 WeakPolarHBondContact CA-O 3.41Å; R393-L416 HydrophobicContact CG-CB 4.35Å; I394-L416 PolarHBondContact N-O 2.78Å; L416-I418 HydrophobicContact CB-CG2 4Å; L416-V427 HydrophobicContact CD2-CG1 4.36Å; L416-V430 HydrophobicContact CD2-CG2 4Å; L416-V481 HydrophobicContact CD2-CG2 3.77Å; L416-P488 HydrophobicContact CD1-CB 3.87Å; L416-P488 HydrophobicContact CD1-CG 4.17Å; L416-L490 HydrophobicContact CD1-CB 4.44Å; L416-L490 HydrophobicContact CD2-CB 3.88Å; L416-L490 HydrophobicContact CD2-CD1 3.94Å; L416-L490 HydrophobicContact CD2-CG 4.33Å; L416-L490 HydrophobicContact CG-CB 3.99Å
417	V	96.3	Very high	91.8	Very high	0 Å²	0	69.7 Å²	69.7	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	114.6	168.2	-170.3	0	0	0	0	107.2	I394 L415 L428 G429 F431 V450 M454	I394-V417 HydrophobicContact CD1-CG2 4.21Å; I394-V417 HydrophobicContact CG1-CG2 4.18Å; I394-V417 CarbonylContact O-C 3.57Å; I394-V417 WeakPolarHBondContact O-CA 3.33Å; L415-V417 PolarHBondContact O-N 2.79Å; V417-L428 HydrophobicContact CB-CB 4.47Å; V417-L428 HydrophobicContact CG1-CB 4.24Å; V417-L428 HydrophobicContact CG1-CD1 4.31Å; V417-L428 WeakPolarHBondContact O-CB 3.26Å; V417-L428 PolarHBondContact O-N 2.89Å; V417-G429 PolarHBondContact N-O 3.09Å; V417-G429 PolarHBondContact O-N 3.02Å; V417-F431 HydrophobicContact CG2-CB 3.92Å; V417-V450 HydrophobicContact CG1-CG2 4.05Å; V417-V450 HydrophobicContact CG2-CG2 4.23Å; V417-M454 HydrophobicContact CB-SD 3.84Å; V417-M454 HydrophobicContact CG1-SD 3.81Å; V417-M454 HydrophobicContact CG2-CB 4.04Å; V417-M454 HydrophobicContact CG2-SD 4.11Å
418	I	95.2	Very high	91.6	Very high	18 Å²	18	71.2 Å²	71.2	9%	0.092	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	160	-174.4	63.8	162.1	0	0	0	112.1	R393 I394 L416 I425 S426 V427	R393-I418 HydrophobicContact CB-CD1 3.84Å; R393-I418 HydrophobicContact CB-CG1 4.17Å; R393-I418 HydrophobicContact CG-CD1 4.43Å; I394-I418 PolarHBondContact O-N 2.83Å; L416-I418 HydrophobicContact CB-CG2 4Å; I418-I425 HydrophobicContact CB-CG2 4.01Å; I418-I425 HydrophobicContact CD1-CG2 4Å; I418-I425 HydrophobicContact CG2-CG2 4.03Å; I418-S426 CarbonylContact C-O 3.55Å; I418-S426 VanDerWaalsContact CA-O 3.23Å; I418-S426 WeakPolarHBondContact CA-O 3.5Å; I418-S426 WeakPolarHBondContact CB-O 3.46Å; I418-V427 HydrophobicContact CG2-CG2 4.29Å
419	K	92.7	Very high	91.4	Very high	116 Å²	116	60.9 Å²	60.9	50%	0.504	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	122.4	162.9	-171.2	-179.3	-179.7	178.1	0	108.1	N421 S426 L428	K419-N421 VanDerWaalsContact CE-OD1 3.27Å; K419-N421 WeakPolarHBondContact CE-OD1 3.42Å; K419-N421 WeakPolarHBondContact CG-OD1 3.44Å; K419-S426 PolarHBondContact N-O 3.11Å; K419-S426 PolarHBondContact O-N 2.79Å; K419-L428 HydrophobicContact CB-CD1 4.11Å; K419-L428 HydrophobicContact CB-CD2 3.98Å; K419-L428 HydrophobicContact CB-CG 4.07Å
420	N	87.2	Confident	91.3	Very high	101 Å²	101	56.9 Å²	56.9	54%	0.54	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	115.9	175	-172.8	-9.3	0	0	0	108.9	G422	N420-G422 PolarHBondContact OD1-N 2.87Å
421	N	84.4	Confident	91.4	Very high	101 Å²	101	53.3 Å²	53.3	54%	0.54	29%	0.29	S	S	.	.			trans	-98	19.9	178.6	-65.9	-17.1	0	0	0	112.4	K419 T423 K424	K419-N421 VanDerWaalsContact CE-OD1 3.27Å; K419-N421 WeakPolarHBondContact CE-OD1 3.42Å; K419-N421 WeakPolarHBondContact CG-OD1 3.44Å; N421-T423 PolarHBondContact O-N 2.78Å; N421-K424 PolarHBondContact N-O 2.86Å
422	G	82.5	Confident	91.5	Very high	67 Å²	67	47.2 Å²	47.2	69%	0.691	26%	0.257	S	S	*	.	S	Bend	trans	93.5	-62.5	-178.5	0	0	0	0	0	112.5	N420	N420-G422 PolarHBondContact OD1-N 2.87Å
423	T	81.4	Confident	91.4	Very high	129 Å²	129	50.9 Å²	50.9	79%	0.791	28%	0.283	S	S	*	.	S	Bend	trans	-97.4	-22.3	-179.6	53.9	0	0	0	0	114	N421	N421-T423 PolarHBondContact O-N 2.78Å
424	K	85.7	Confident	91.2	Very high	147 Å²	147	48.1 Å²	48.1	64%	0.639	28%	0.281	S	S	*	.			trans	-131.7	138.5	-177.5	-68.4	-170.3	176.2	-171.1	0	111.2	N421	N421-K424 PolarHBondContact N-O 2.86Å
425	I	89.6	Confident	91.1	Very high	37 Å²	37	48.3 Å²	48.3	19%	0.19	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	130.3	169.3	-59.4	175.9	0	0	0	107.3	I418 W483 P488	I418-I425 HydrophobicContact CB-CG2 4.01Å; I418-I425 HydrophobicContact CD1-CG2 4Å; I418-I425 HydrophobicContact CG2-CG2 4.03Å; I425-W483 WeakPolarHBondContact O-CH2 3.39Å; I425-P488 HydrophobicContact CG2-CG 3.89Å
426	S	90.1	Very high	90.9	Very high	45 Å²	45	53 Å²	53	32%	0.315	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	140.9	165.5	64.4	0	0	0	0	110.4	I418 K419	I418-S426 CarbonylContact C-O 3.55Å; I418-S426 VanDerWaalsContact CA-O 3.23Å; I418-S426 WeakPolarHBondContact CA-O 3.5Å; I418-S426 WeakPolarHBondContact CB-O 3.46Å; K419-S426 PolarHBondContact N-O 3.11Å; K419-S426 PolarHBondContact O-N 2.79Å
427	V	92.1	Very high	90.6	Very high	18 Å²	18	62 Å²	62	11%	0.109	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	118.6	175	-176.4	0	0	0	0	108.1	L416 I418 Y458 V481 W483 P488	L416-V427 HydrophobicContact CD2-CG1 4.36Å; I418-V427 HydrophobicContact CG2-CG2 4.29Å; V427-Y458 HydrophobicContact CB-CE2 4.44Å; V427-Y458 WeakPolarHBondContact CB-OH 3.25Å; V427-Y458 HydrophobicContact CG1-CE1 4.36Å; V427-Y458 HydrophobicContact CG1-CE2 3.91Å; V427-Y458 VanDerWaalsContact CG1-OH 3.25Å; V427-Y458 WeakPolarHBondContact CG1-OH 3.35Å; V427-Y458 PolarHBondContact O-OH 2.95Å; V427-V481 HydrophobicContact CG2-CG1 4.19Å; V427-W483 HydrophobicContact CB-CZ2 4.39Å; V427-W483 HydrophobicContact CG2-CH2 3.99Å; V427-W483 HydrophobicContact CG2-CZ2 3.67Å; V427-P488 HydrophobicContact CG2-CB 3.5Å; V427-P488 HydrophobicContact CG2-CG 3.73Å
428	L	90	Very high	90.2	Very high	60 Å²	60	64.4 Å²	64.4	31%	0.314	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-31.4	177.2	-59.3	-177.8	0	0	0	111.9	V417 K419 M454	V417-L428 HydrophobicContact CB-CB 4.47Å; V417-L428 HydrophobicContact CG1-CB 4.24Å; V417-L428 HydrophobicContact CG1-CD1 4.31Å; V417-L428 WeakPolarHBondContact O-CB 3.26Å; V417-L428 PolarHBondContact O-N 2.89Å; K419-L428 HydrophobicContact CB-CD1 4.11Å; K419-L428 HydrophobicContact CB-CD2 3.98Å; K419-L428 HydrophobicContact CB-CG 4.07Å; L428-M454 HydrophobicContact CB-CE 3.85Å; L428-M454 HydrophobicContact CB-SD 3.94Å; L428-M454 WeakPolarHBondContact O-CE 3.45Å
429	G	91.9	Very high	90.1	Very high	0 Å²	0	66 Å²	66	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.3	177.1	-174.9	0	0	0	0	0	112.5	V417 N455	V417-G429 PolarHBondContact N-O 3.09Å; V417-G429 PolarHBondContact O-N 3.02Å; G429-N455 CarbonylContact C-O 3.54Å; G429-N455 VanDerWaalsContact CA-O 3.28Å; G429-N455 WeakPolarHBondContact CA-O 3.27Å
430	V	94.8	Very high	90.1	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	125.8	171	-177	0	0	0	0	108.6	L415 L416 N455 Y458 Y479 V481 L490	L415-V430 WeakPolarHBondContact O-CA 3.46Å; L416-V430 HydrophobicContact CD2-CG2 4Å; V430-N455 PolarHBondContact N-O 3.02Å; V430-N455 WeakPolarHBondContact O-CB 3.43Å; V430-N455 PolarHBondContact O-N 2.75Å; V430-Y458 HydrophobicContact CG2-CD1 4.17Å; V430-Y458 HydrophobicContact CG2-CD2 4.38Å; V430-Y458 HydrophobicContact CG2-CG 3.94Å; V430-Y479 HydrophobicContact CB-CD2 4.39Å; V430-Y479 HydrophobicContact CB-CE2 3.63Å; V430-Y479 HydrophobicContact CG1-CD2 4.12Å; V430-Y479 HydrophobicContact CG1-CE1 4.23Å; V430-Y479 HydrophobicContact CG1-CE2 3.65Å; V430-Y479 HydrophobicContact CG2-CD2 4.11Å; V430-Y479 HydrophobicContact CG2-CE2 3.64Å; V430-V481 HydrophobicContact CG2-CG2 3.93Å; V430-L490 HydrophobicContact CG1-CD1 4.07Å; V430-L490 HydrophobicContact CG1-CD2 4.08Å; V430-L490 HydrophobicContact CG2-CD1 4.16Å
431	F	96.1	Very high	90.2	Very high	1 Å²	1	68 Å²	68	0%	0.004	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	119.8	170.6	-179.7	-93	0	0	0	108.7	I400 A403 M407 G414 L415 V417 V435 V450	I400-F431 HydrophobicContact CB-CE2 4.38Å; I400-F431 HydrophobicContact CG1-CE2 4.17Å; I400-F431 HydrophobicContact CG2-CE2 4.11Å; I400-F431 HydrophobicContact CG2-CZ 4.02Å; A403-F431 HydrophobicContact CB-CD1 3.66Å; A403-F431 HydrophobicContact CB-CD2 4.47Å; A403-F431 HydrophobicContact CB-CE1 3.49Å; A403-F431 VanDerWaalsContact CB-CE1 3.49Å; A403-F431 HydrophobicContact CB-CE2 4.33Å; A403-F431 HydrophobicContact CB-CG 4.16Å; A403-F431 HydrophobicContact CB-CZ 3.85Å; M407-F431 HydrophobicContact SD-CD1 3.55Å; M407-F431 VanDerWaalsContact SD-CD1 3.55Å; M407-F431 HydrophobicContact SD-CE1 3.58Å; M407-F431 VanDerWaalsContact SD-CE1 3.58Å; G414-F431 CarbonylContact C-O 3.58Å; G414-F431 WeakPolarHBondContact CA-O 3.05Å; L415-F431 HydrophobicContact CB-CB 4.39Å; L415-F431 HydrophobicContact CD1-CD1 4.21Å; L415-F431 PolarHBondContact N-O 2.99Å; L415-F431 PolarHBondContact O-N 3.3Å; V417-F431 HydrophobicContact CG2-CB 3.92Å; F431-V435 HydrophobicContact CE2-CB 4.08Å; F431-V435 HydrophobicContact CE2-CG1 4.03Å; F431-V435 HydrophobicContact CE2-CG2 4.12Å; F431-V435 HydrophobicContact CZ-CB 4.47Å; F431-V435 HydrophobicContact CZ-CG1 3.9Å; F431-V450 HydrophobicContact CD2-CB 4.17Å; F431-V450 HydrophobicContact CD2-CG1 3.88Å; F431-V450 HydrophobicContact CE2-CG1 4.1Å; F431-V450 HydrophobicContact CG-CG1 4.35Å
432	D	94.7	Very high	90.5	Very high	18 Å²	18	66 Å²	66	10%	0.096	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	-173.6	-176.2	67.4	4	0	0	0	110.8	S434 V435 Y479	D432-S434 PolarHBondContact O-N 3.18Å; D432-S434 VanDerWaalsContact O-N 3.08Å; D432-S434 WeakPolarHBondContact OD1-CA 3.33Å; D432-S434 WeakPolarHBondContact OD1-CB 3.36Å; D432-S434 PolarHBondContact OD1-N 2.98Å; D432-S434 PolarHBondContact OD1-OG 3.02Å; D432-V435 VanDerWaalsContact O-CG1 3.32Å; D432-V435 WeakPolarHBondContact O-CG1 3.47Å; D432-V435 PolarHBondContact O-N 3.47Å; D432-Y479 HydrophobicContact CB-CE1 4.16Å; D432-Y479 WeakPolarHBondContact OD2-CE1 3.39Å; D432-Y479 VanDerWaalsContact OD2-CZ 3.3Å; D432-Y479 PolarHBondContact OD2-OH 3.27Å
433	S	93.2	Very high	90.6	Very high	95 Å²	95	66.6 Å²	66.6	66%	0.664	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-9.7	178.1	60.7	0	0	0	0	114.8	V435 L436	S433-V435 PolarHBondContact O-N 2.89Å; S433-L436 VanDerWaalsContact O-CB 3.26Å; S433-L436 WeakPolarHBondContact O-CB 3.15Å; S433-L436 PolarHBondContact O-N 3.39Å; S433-L436 VanDerWaalsContact O-N 3.16Å
434	S	88.9	Confident	91.1	Very high	54 Å²	54	60.9 Å²	60.9	38%	0.378	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-22.3	178.1	75.6	0	0	0	0	112.8	D432 L436 R437	D432-S434 PolarHBondContact O-N 3.18Å; D432-S434 VanDerWaalsContact O-N 3.08Å; D432-S434 WeakPolarHBondContact OD1-CA 3.33Å; D432-S434 WeakPolarHBondContact OD1-CB 3.36Å; D432-S434 PolarHBondContact OD1-N 2.98Å; D432-S434 PolarHBondContact OD1-OG 3.02Å; S434-L436 PolarHBondContact O-N 3.07Å; S434-L436 VanDerWaalsContact O-N 3.09Å; S434-R437 PolarHBondContact O-N 3.45Å; S434-R437 VanDerWaalsContact O-N 3.17Å
435	V	92.2	Very high	91.6	Very high	8 Å²	8	60.6 Å²	60.6	5%	0.048	33%	0.33	C	S	.	.	H	α-helix	trans	-55.4	-27.2	173.6	67.5	0	0	0	0	113	I400 F431 D432 S433 R437 L438 L439 V444 A453	I400-V435 HydrophobicContact CD1-CG2 4.08Å; I400-V435 HydrophobicContact CG1-CG2 4.4Å; I400-V435 HydrophobicContact CG2-CG2 3.86Å; F431-V435 HydrophobicContact CE2-CB 4.08Å; F431-V435 HydrophobicContact CE2-CG1 4.03Å; F431-V435 HydrophobicContact CE2-CG2 4.12Å; F431-V435 HydrophobicContact CZ-CB 4.47Å; F431-V435 HydrophobicContact CZ-CG1 3.9Å; D432-V435 VanDerWaalsContact O-CG1 3.32Å; D432-V435 WeakPolarHBondContact O-CG1 3.47Å; D432-V435 PolarHBondContact O-N 3.47Å; S433-V435 PolarHBondContact O-N 2.89Å; V435-R437 PolarHBondContact O-N 3.11Å; V435-R437 VanDerWaalsContact O-N 3.16Å; V435-L438 WeakPolarHBondContact O-CB 3.36Å; V435-L438 PolarHBondContact O-N 2.95Å; V435-L439 HydrophobicContact CG2-CD1 4.27Å; V435-L439 HydrophobicContact CG2-CG 4.28Å; V435-L439 PolarHBondContact O-N 2.89Å; V435-V444 HydrophobicContact CG2-CG2 4.39Å; V435-A453 HydrophobicContact CB-CB 4.4Å; V435-A453 HydrophobicContact CG2-CB 3.59Å
436	L	93.6	Very high	91.9	Very high	98 Å²	98	62.1 Å²	62.1	51%	0.513	34%	0.343	S	S	.	.	H	α-helix	trans	-54.4	-38.3	179.8	-173.6	61.3	0	0	0	111.6	S433 S434 L438 L439 F440	S433-L436 VanDerWaalsContact O-CB 3.26Å; S433-L436 WeakPolarHBondContact O-CB 3.15Å; S433-L436 PolarHBondContact O-N 3.39Å; S433-L436 VanDerWaalsContact O-N 3.16Å; S434-L436 PolarHBondContact O-N 3.07Å; S434-L436 VanDerWaalsContact O-N 3.09Å; L436-L438 PolarHBondContact O-N 3.24Å; L436-L439 PolarHBondContact O-N 3.42Å; L436-F440 HydrophobicContact CD1-CD2 3.85Å; L436-F440 HydrophobicContact CD1-CE2 3.47Å; L436-F440 VanDerWaalsContact CD1-CE2 3.47Å; L436-F440 HydrophobicContact CD1-CZ 4.42Å; L436-F440 HydrophobicContact CD2-CE2 4.03Å; L436-F440 HydrophobicContact CG-CD2 3.72Å; L436-F440 HydrophobicContact CG-CE2 3.55Å; L436-F440 VanDerWaalsContact O-CD2 3.23Å; L436-F440 WeakPolarHBondContact O-CD2 3.09Å; L436-F440 PolarHBondContact O-N 3.06Å
437	R	89.3	Confident	92.3	Very high	188 Å²	188	65.2 Å²	65.2	71%	0.709	36%	0.359	S	S	*	.	H	α-helix	trans	-61.9	-42.8	175.9	-178.3	-179.1	174.8	-165.5	-2.6	112.3	S434 V435 L439 F440 N441	S434-R437 PolarHBondContact O-N 3.45Å; S434-R437 VanDerWaalsContact O-N 3.17Å; V435-R437 PolarHBondContact O-N 3.11Å; V435-R437 VanDerWaalsContact O-N 3.16Å; R437-L439 VanDerWaalsContact C-N 3.32Å; R437-F440 PolarHBondContact O-N 3.19Å; R437-N441 VanDerWaalsContact O-CG 3.24Å; R437-N441 PolarHBondContact O-N 2.91Å; R437-N441 VanDerWaalsContact O-N 3.1Å; R437-N441 PolarHBondContact O-OD1 3.32Å
438	L	89.3	Confident	92.5	Very high	51 Å²	51	65.9 Å²	65.9	27%	0.267	36%	0.363	S	S	.	.	H	α-helix	trans	-69.7	-31.2	179.7	-60.5	177.5	0	0	0	112	V435 L436 N441 G442 S443 V444 A453	V435-L438 WeakPolarHBondContact O-CB 3.36Å; V435-L438 PolarHBondContact O-N 2.95Å; L436-L438 PolarHBondContact O-N 3.24Å; L438-N441 WeakPolarHBondContact CA-OD1 3.28Å; L438-N441 PolarHBondContact O-OD1 3.09Å; L438-G442 PolarHBondContact O-N 2.76Å; L438-S443 PolarHBondContact O-N 2.82Å; L438-V444 HydrophobicContact CB-CG1 4.31Å; L438-V444 HydrophobicContact CB-CG2 3.56Å; L438-V444 HydrophobicContact CD1-CG1 4.49Å; L438-V444 PolarHBondContact O-N 3.4Å; L438-A453 HydrophobicContact CD1-CB 4.06Å
439	L	92.9	Very high	92.8	Very high	52 Å²	52	66.6 Å²	66.6	27%	0.272	37%	0.366	S	S	.	.	H	α-helix	trans	-69.8	-46.3	173.2	-70.7	166.7	0	0	0	111	I400 V435 L436 R437 N441 G442 V444 P446	I400-L439 HydrophobicContact CG2-CD1 4.34Å; V435-L439 HydrophobicContact CG2-CD1 4.27Å; V435-L439 HydrophobicContact CG2-CG 4.28Å; V435-L439 PolarHBondContact O-N 2.89Å; L436-L439 PolarHBondContact O-N 3.42Å; R437-L439 VanDerWaalsContact C-N 3.32Å; L439-N441 PolarHBondContact O-N 3.45Å; L439-G442 PolarHBondContact O-N 3.5Å; L439-V444 HydrophobicContact CD2-CG2 3.94Å; L439-V444 HydrophobicContact CG-CG2 4.12Å; L439-P446 HydrophobicContact CD2-CG 4.03Å
440	F	92.7	Very high	93	Very high	170 Å²	170	66.6 Å²	66.6	75%	0.746	37%	0.366	S	S	*	.	H	α-helix	trans	-65	-37	-179.3	-88.7	-65.9	0	0	0	113.8	L436 R437 G442	L436-F440 HydrophobicContact CD1-CD2 3.85Å; L436-F440 HydrophobicContact CD1-CE2 3.47Å; L436-F440 VanDerWaalsContact CD1-CE2 3.47Å; L436-F440 HydrophobicContact CD1-CZ 4.42Å; L436-F440 HydrophobicContact CD2-CE2 4.03Å; L436-F440 HydrophobicContact CG-CD2 3.72Å; L436-F440 HydrophobicContact CG-CE2 3.55Å; L436-F440 VanDerWaalsContact O-CD2 3.23Å; L436-F440 WeakPolarHBondContact O-CD2 3.09Å; L436-F440 PolarHBondContact O-N 3.06Å; R437-F440 PolarHBondContact O-N 3.19Å; F440-G442 VanDerWaalsContact C-N 3.27Å
441	N	89.4	Confident	92.8	Very high	89 Å²	89	68.6 Å²	68.6	48%	0.476	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	1.4	178.4	73.3	12.8	0	0	0	113.4	R437 L438 L439 S443	R437-N441 VanDerWaalsContact O-CG 3.24Å; R437-N441 PolarHBondContact O-N 2.91Å; R437-N441 VanDerWaalsContact O-N 3.1Å; R437-N441 PolarHBondContact O-OD1 3.32Å; L438-N441 WeakPolarHBondContact CA-OD1 3.28Å; L438-N441 PolarHBondContact O-OD1 3.09Å; L439-N441 PolarHBondContact O-N 3.45Å; N441-S443 VanDerWaalsContact C-N 3.28Å; N441-S443 VanDerWaalsContact CG-OG 3.3Å; N441-S443 PolarHBondContact ND2-OG 3.47Å; N441-S443 PolarHBondContact O-N 3.07Å; N441-S443 WeakPolarHBondContact OD1-CB 3.18Å; N441-S443 PolarHBondContact OD1-N 3.33Å; N441-S443 PolarHBondContact OD1-OG 2.88Å
442	G	89.3	Confident	92.4	Very high	58 Å²	58	74.6 Å²	74.6	60%	0.598	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	10.3	177.9	0	0	0	0	0	115.3	L438 L439 F440 V444	L438-G442 PolarHBondContact O-N 2.76Å; L439-G442 PolarHBondContact O-N 3.5Å; F440-G442 VanDerWaalsContact C-N 3.27Å; G442-V444 PolarHBondContact O-N 2.84Å
443	S	85.1	Confident	92.2	Very high	80 Å²	80	74 Å²	74	56%	0.559	40%	0.402	S	S	*	.	S	Bend	trans	-67.5	-26.6	177.7	-58.5	0	0	0	0	112.5	L438 N441	L438-S443 PolarHBondContact O-N 2.82Å; N441-S443 VanDerWaalsContact C-N 3.28Å; N441-S443 VanDerWaalsContact CG-OG 3.3Å; N441-S443 PolarHBondContact ND2-OG 3.47Å; N441-S443 PolarHBondContact O-N 3.07Å; N441-S443 WeakPolarHBondContact OD1-CB 3.18Å; N441-S443 PolarHBondContact OD1-N 3.33Å; N441-S443 PolarHBondContact OD1-OG 2.88Å
444	V	92	Very high	92.1	Very high	10 Å²	10	70.1 Å²	70.1	6%	0.061	37%	0.373	C	S	.	.	S	Bend	trans	-139.4	160.3	176	-56.5	0	0	0	0	110.8	I400 V435 L438 L439 G442 K452 A453	I400-V444 HydrophobicContact CD1-CB 3.9Å; I400-V444 HydrophobicContact CD1-CG2 3.66Å; V435-V444 HydrophobicContact CG2-CG2 4.39Å; L438-V444 HydrophobicContact CB-CG1 4.31Å; L438-V444 HydrophobicContact CB-CG2 3.56Å; L438-V444 HydrophobicContact CD1-CG1 4.49Å; L438-V444 PolarHBondContact O-N 3.4Å; L439-V444 HydrophobicContact CD2-CG2 3.94Å; L439-V444 HydrophobicContact CG-CG2 4.12Å; G442-V444 PolarHBondContact O-N 2.84Å; V444-K452 HydrophobicContact CG1-CB 4.3Å; V444-A453 HydrophobicContact CG1-CB 4.46Å; V444-A453 HydrophobicContact CG2-CB 4.5Å
445	K	95.6	Very high	92.1	Very high	140 Å²	140	69.7 Å²	69.7	61%	0.609	37%	0.367	S	S	*	.			trans	-114.4	156.6	174.8	-61.7	176.2	-175.5	176.4	0	110.4	T447 D448	K445-T447 PolarHBondContact O-N 3.42Å; K445-D448 PolarHBondContact N-OD2 2.94Å; K445-D448 WeakPolarHBondContact O-CB 3.45Å; K445-D448 PolarHBondContact O-N 2.94Å
446	P	96.9	Very high	91.7	Very high	70 Å²	70	74.4 Å²	74.4	46%	0.455	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-25.4	176.7	-27	35.3	0	0	0	114.9	K401 L439	K401-P446 HydrophobicContact CB-CB 4.31Å; K401-P446 WeakPolarHBondContact CB-O 3.09Å; K401-P446 PolarHBondContact N-O 2.82Å; L439-P446 HydrophobicContact CD2-CG 4.03Å
447	T	97.4	Very high	91.1	Very high	109 Å²	109	73.2 Å²	73.2	67%	0.669	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-8.9	177.9	54.6	0	0	0	0	113.9	K445	K445-T447 PolarHBondContact O-N 3.42Å
448	D	96.8	Very high	91	Very high	33 Å²	33	65.7 Å²	65.7	18%	0.176	35%	0.35	C	S	.	.	S	Bend	trans	-69.4	155.3	174.3	-80.6	-56.9	0	0	0	110.9	T399 I400 K445 K452	T399-D448 CarbonylContact C-O 3.57Å; T399-D448 WeakPolarHBondContact CA-O 3.41Å; I400-D448 HydrophobicContact CD1-CB 4.13Å; I400-D448 WeakPolarHBondContact CG1-O 3.46Å; I400-D448 PolarHBondContact N-O 3.37Å; K445-D448 PolarHBondContact N-OD2 2.94Å; K445-D448 WeakPolarHBondContact O-CB 3.45Å; K445-D448 PolarHBondContact O-N 2.94Å; D448-K452 HydrophobicContact CB-CD 4.2Å; D448-K452 IonicContact OD1-NZ 3.16Å; D448-K452 PolarHBondContact OD1-NZ 2.99Å
449	L	97.1	Very high	91	Very high	74 Å²	74	67 Å²	67	39%	0.387	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-70.9	145.9	177.1	-59	-176.8	0	0	0	112	E397 H398 V451 K452	E397-L449 VanDerWaalsContact O-CD2 3.3Å; E397-L449 WeakPolarHBondContact O-CD2 3.39Å; H398-L449 WeakPolarHBondContact O-CA 3.32Å; L449-V451 HydrophobicContact CB-CG2 3.79Å; L449-V451 HydrophobicContact CD1-CG2 4.46Å; L449-V451 PolarHBondContact O-N 3.03Å; L449-V451 VanDerWaalsContact O-N 3.09Å; L449-K452 WeakPolarHBondContact O-CB 3.27Å; L449-K452 PolarHBondContact O-N 2.89Å
450	V	95.5	Very high	90.8	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-57.1	-28.4	-179.8	-67.8	0	0	0	0	113.5	I394 H398 A403 V417 F431 K452 A453 M454	I394-V450 HydrophobicContact CD1-CB 4.45Å; I394-V450 HydrophobicContact CD1-CG1 4.02Å; I394-V450 HydrophobicContact CD1-CG2 4.09Å; H398-V450 HydrophobicContact CB-CG1 4.39Å; H398-V450 HydrophobicContact CB-CG2 4.47Å; H398-V450 WeakPolarHBondContact O-CG1 3.42Å; H398-V450 PolarHBondContact O-N 2.96Å; A403-V450 HydrophobicContact CB-CG1 3.5Å; A403-V450 VanDerWaalsContact CB-CG1 3.5Å; V417-V450 HydrophobicContact CG1-CG2 4.05Å; V417-V450 HydrophobicContact CG2-CG2 4.23Å; F431-V450 HydrophobicContact CD2-CB 4.17Å; F431-V450 HydrophobicContact CD2-CG1 3.88Å; F431-V450 HydrophobicContact CE2-CG1 4.1Å; F431-V450 HydrophobicContact CG-CG1 4.35Å; V450-K452 PolarHBondContact O-N 3.15Å; V450-K452 VanDerWaalsContact O-N 3.11Å; V450-A453 CarbonylContact O-C 3.55Å; V450-A453 PolarHBondContact O-N 3.31Å; V450-M454 PolarHBondContact O-N 2.75Å
451	V	90.8	Very high	90.7	Very high	43 Å²	43	61.2 Å²	61.2	26%	0.261	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-60.6	-21.6	177.4	-69.4	0	0	0	0	113.7	G396 L449 M454 R456	G396-V451 VanDerWaalsContact CA-CG1 3.41Å; L449-V451 HydrophobicContact CB-CG2 3.79Å; L449-V451 HydrophobicContact CD1-CG2 4.46Å; L449-V451 PolarHBondContact O-N 3.03Å; L449-V451 VanDerWaalsContact O-N 3.09Å; V451-M454 HydrophobicContact CB-CE 4.4Å; V451-M454 HydrophobicContact CG1-CE 4.4Å; V451-M454 HydrophobicContact CG1-SD 4.47Å; V451-R456 PolarHBondContact O-NH2 2.98Å
452	K	88	Confident	90.5	Very high	127 Å²	127	62.3 Å²	62.3	55%	0.552	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-82	-16.9	174.8	-66.1	-171	-176.2	173.6	0	113.3	V444 D448 L449 V450	V444-K452 HydrophobicContact CG1-CB 4.3Å; D448-K452 HydrophobicContact CB-CD 4.2Å; D448-K452 IonicContact OD1-NZ 3.16Å; D448-K452 PolarHBondContact OD1-NZ 2.99Å; L449-K452 WeakPolarHBondContact O-CB 3.27Å; L449-K452 PolarHBondContact O-N 2.89Å; V450-K452 PolarHBondContact O-N 3.15Å; V450-K452 VanDerWaalsContact O-N 3.11Å
453	A	89.3	Confident	90	Very high	4 Å²	4	64.1 Å²	64.1	3%	0.033	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.9	-10.2	-168.9	0	0	0	0	0	115	I400 V435 L438 V444 V450	I400-A453 HydrophobicContact CD1-CB 3.56Å; I400-A453 HydrophobicContact CG1-CB 3.99Å; V435-A453 HydrophobicContact CB-CB 4.4Å; V435-A453 HydrophobicContact CG2-CB 3.59Å; L438-A453 HydrophobicContact CD1-CB 4.06Å; V444-A453 HydrophobicContact CG1-CB 4.46Å; V444-A453 HydrophobicContact CG2-CB 4.5Å; V450-A453 CarbonylContact O-C 3.55Å; V450-A453 PolarHBondContact O-N 3.31Å
454	M	91.9	Very high	89.6	Confident	15 Å²	15	66.8 Å²	66.8	7%	0.074	33%	0.327	C	S	.	.	S	Bend	trans	-65.3	145.7	179.2	67.2	-172.6	179.6	0	0	112.2	V417 L428 V450 V451 R456	V417-M454 HydrophobicContact CB-SD 3.84Å; V417-M454 HydrophobicContact CG1-SD 3.81Å; V417-M454 HydrophobicContact CG2-CB 4.04Å; V417-M454 HydrophobicContact CG2-SD 4.11Å; L428-M454 HydrophobicContact CB-CE 3.85Å; L428-M454 HydrophobicContact CB-SD 3.94Å; L428-M454 WeakPolarHBondContact O-CE 3.45Å; V450-M454 PolarHBondContact O-N 2.75Å; V451-M454 HydrophobicContact CB-CE 4.4Å; V451-M454 HydrophobicContact CG1-CE 4.4Å; V451-M454 HydrophobicContact CG1-SD 4.47Å; M454-R456 HydrophobicContact CE-CG 4.26Å; M454-R456 HydrophobicContact CG-CG 4.45Å; M454-R456 PolarHBondContact O-N 3.44Å
455	N	88.7	Confident	88.9	Confident	44 Å²	44	71 Å²	71	24%	0.235	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-73.6	119.6	169.9	-170.9	-14.3	0	0	0	109.8	G429 V430 N457 Y458 Y479	G429-N455 CarbonylContact C-O 3.54Å; G429-N455 VanDerWaalsContact CA-O 3.28Å; G429-N455 WeakPolarHBondContact CA-O 3.27Å; V430-N455 PolarHBondContact N-O 3.02Å; V430-N455 WeakPolarHBondContact O-CB 3.43Å; V430-N455 PolarHBondContact O-N 2.75Å; N455-N457 WeakPolarHBondContact OD1-CA 3.21Å; N455-N457 WeakPolarHBondContact OD1-CB 3.35Å; N455-N457 PolarHBondContact OD1-N 2.86Å; N455-Y458 WeakPolarHBondContact O-CD1 3.34Å; N455-Y479 WeakPolarHBondContact CB-OH 3.31Å; N455-Y479 PolarHBondContact ND2-OH 3.46Å
456	R	84.8	Confident	88.3	Confident	108 Å²	108	65.7 Å²	65.7	41%	0.408	33%	0.33	S	S	.	.			trans	-95.3	-12.5	175.1	-64.9	-176.9	176.9	89.1	3.1	113.3	D133 V451 M454 Y458	D133-R456 WeakPolarHBondContact OD2-CD 3.41Å; V451-R456 PolarHBondContact O-NH2 2.98Å; M454-R456 HydrophobicContact CE-CG 4.26Å; M454-R456 HydrophobicContact CG-CG 4.45Å; M454-R456 PolarHBondContact O-N 3.44Å; R456-Y458 VanDerWaalsContact C-N 3.3Å; R456-Y458 PolarHBondContact O-N 3.26Å
457	N	81.1	Confident	88	Confident	72 Å²	72	62.6 Å²	62.6	39%	0.385	31%	0.31	S	S	.	.			trans	-93.4	50.9	-178.9	-72	-27.6	0	0	0	111.5	D133 K134 N455	D133-N457 WeakPolarHBondContact CB-OD1 3.43Å; D133-N457 PolarHBondContact O-ND2 2.85Å; D133-N457 PolarHBondContact O-OD1 3.32Å; K134-N457 PolarHBondContact N-OD1 3Å; N455-N457 WeakPolarHBondContact OD1-CA 3.21Å; N455-N457 WeakPolarHBondContact OD1-CB 3.35Å; N455-N457 PolarHBondContact OD1-N 2.86Å
458	Y	87	Confident	87.5	Confident	31 Å²	31	59.9 Å²	59.9	12%	0.122	29%	0.291	C	S	.	.			trans	-100.7	156	176.2	64.1	-85.7	0	0	0	110.7	V427 V430 N455 R456 Q460 V481	V427-Y458 HydrophobicContact CB-CE2 4.44Å; V427-Y458 WeakPolarHBondContact CB-OH 3.25Å; V427-Y458 HydrophobicContact CG1-CE1 4.36Å; V427-Y458 HydrophobicContact CG1-CE2 3.91Å; V427-Y458 VanDerWaalsContact CG1-OH 3.25Å; V427-Y458 WeakPolarHBondContact CG1-OH 3.35Å; V427-Y458 PolarHBondContact O-OH 2.95Å; V430-Y458 HydrophobicContact CG2-CD1 4.17Å; V430-Y458 HydrophobicContact CG2-CD2 4.38Å; V430-Y458 HydrophobicContact CG2-CG 3.94Å; N455-Y458 WeakPolarHBondContact O-CD1 3.34Å; R456-Y458 VanDerWaalsContact C-N 3.3Å; R456-Y458 PolarHBondContact O-N 3.26Å; Y458-Q460 HydrophobicContact CD2-CG 3.89Å; Y458-Q460 HydrophobicContact CE2-CG 3.52Å; Y458-Q460 PolarHBondContact OH-NE2 3.21Å; Y458-V481 HydrophobicContact CD2-CB 3.89Å; Y458-V481 HydrophobicContact CD2-CG2 3.32Å; Y458-V481 HydrophobicContact CE2-CB 4.01Å; Y458-V481 HydrophobicContact CE2-CG1 4.41Å; Y458-V481 HydrophobicContact CE2-CG2 3.63Å; Y458-V481 HydrophobicContact CG-CG2 4.2Å
459	R	87.7	Confident	87.2	Confident	78 Å²	78	61.6 Å²	61.6	29%	0.294	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	147.7	175.9	-65.1	-57.9	-176.9	167.2	0.5	111.2	R361 V473 E477 V480 V481	R361-R459 VanDerWaalsContact NH1-NH1 3.17Å; R361-R459 VanDerWaalsContact NH1-NH2 3.14Å; R361-R459 VanDerWaalsContact NH2-NH1 3.12Å; R459-V473 HydrophobicContact CB-CG1 3.68Å; R459-V473 HydrophobicContact CG-CG1 4.12Å; R459-E477 HydrophobicContact CG-CG 4Å; R459-E477 IonicContact NE-OE1 2.82Å; R459-V480 HydrophobicContact CB-CG2 4.33Å; R459-V480 WeakPolarHBondContact O-CG2 3.47Å; R459-V481 PolarHBondContact O-N 3.27Å
460	Q	90.5	Very high	86.9	Confident	100 Å²	100	58.1 Å²	58.1	47%	0.467	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	140.2	178.2	-62.9	-179.6	56.2	0	0	109	Y458 V481	Y458-Q460 HydrophobicContact CD2-CG 3.89Å; Y458-Q460 HydrophobicContact CE2-CG 3.52Å; Y458-Q460 PolarHBondContact OH-NE2 3.21Å; Q460-V481 CarbonylContact C-O 3.57Å; Q460-V481 WeakPolarHBondContact CA-O 3.45Å; Q460-V481 HydrophobicContact CG-CB 4.1Å; Q460-V481 HydrophobicContact CG-CG1 4.39Å
461	V	89.8	Confident	86.8	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.006	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	128	174.2	177.3	0	0	0	0	107.8	H465 R469 V470 V473 V480 V481 L482 W483	V461-H465 HydrophobicContact CG1-CB 3.99Å; V461-R469 HydrophobicContact CG1-CB 3.96Å; V461-R469 HydrophobicContact CG1-CG 3.91Å; V461-R469 HydrophobicContact CG2-CG 3.8Å; V461-V470 HydrophobicContact CB-CG2 4.18Å; V461-V470 HydrophobicContact CG1-CG2 3.82Å; V461-V473 HydrophobicContact CG2-CG2 4.13Å; V461-V480 HydrophobicContact CB-CG2 4.31Å; V461-V480 HydrophobicContact CG2-CG2 3.65Å; V461-V481 PolarHBondContact N-O 3.32Å; V461-L482 HydrophobicContact CB-CD1 4.37Å; V461-L482 HydrophobicContact CG1-CD1 4.34Å; V461-L482 WeakPolarHBondContact O-CA 3.42Å; V461-W483 PolarHBondContact O-N 3.47Å
462	E	85.9	Confident	86.8	Confident	112 Å²	112	57.5 Å²	57.5	52%	0.523	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	156.5	174.1	-65.2	-177.4	-175.8	0	0	111.2	I464 H465	E462-I464 HydrophobicContact CB-CG1 4Å; E462-I464 PolarHBondContact O-N 3.28Å; E462-I464 VanDerWaalsContact O-N 3.12Å; E462-H465 PolarHBondContact O-N 2.93Å; E462-H465 VanDerWaalsContact O-N 3.07Å
463	E	78.9	Confident	87	Confident	95 Å²	95	51.7 Å²	51.7	44%	0.444	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-50.5	-38.5	-177.3	-171.8	-179.5	163.1	0	0	113.6	L381 H465 G466 W483 N484	L381-E463 HydrophobicContact CD1-CB 4.15Å; L381-E463 HydrophobicContact CD1-CG 3.97Å; E463-H465 PolarHBondContact O-N 3.43Å; E463-G466 PolarHBondContact O-N 2.96Å; E463-W483 PolarHBondContact N-O 2.93Å; E463-N484 PolarHBondContact OE2-OD1 3.21Å
464	I	76.3	Confident	87.2	Confident	136 Å²	136	51.8 Å²	51.8	70%	0.697	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-57	-18.9	-179.3	60.6	167.9	0	0	0	114.5	E462	E462-I464 HydrophobicContact CB-CG1 4Å; E462-I464 PolarHBondContact O-N 3.28Å; E462-I464 VanDerWaalsContact O-N 3.12Å
465	H	77.2	Confident	87.1	Confident	100 Å²	100	53.7 Å²	53.7	46%	0.463	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-94.9	-10.5	-177.7	-58	-51	0	0	0	113.9	V461 E462 E463 R469	V461-H465 HydrophobicContact CG1-CB 3.99Å; E462-H465 PolarHBondContact O-N 2.93Å; E462-H465 VanDerWaalsContact O-N 3.07Å; E463-H465 PolarHBondContact O-N 3.43Å; H465-R469 HydrophobicContact CB-CB 3.64Å; H465-R469 HydrophobicContact CB-CG 4.04Å
466	G	82.8	Confident	87.1	Confident	27 Å²	27	54.2 Å²	54.2	28%	0.278	26%	0.264	S	S	.	.	H	α-helix	trans	62.3	-168.4	179.5	0	0	0	0	0	115.4	E463 D468	E463-G466 PolarHBondContact O-N 2.96Å; G466-D468 VanDerWaalsContact C-N 3.34Å; G466-D468 PolarHBondContact O-N 3.26Å
467	L	90.1	Very high	87.5	Confident	5 Å²	5	51.8 Å²	51.8	3%	0.026	26%	0.257	C	S	.	.	H	α-helix	trans	-69.2	-26.7	-177	-74.9	176.1	0	0	0	114.2	W376 I377 A379 L381 L384 R469 V470 S471 W499	W376-L467 HydrophobicContact CE3-CD1 4.45Å; W376-L467 HydrophobicContact CZ3-CB 4.32Å; W376-L467 WeakPolarHBondContact O-CD1 3.41Å; I377-L467 HydrophobicContact CD1-CB 4.38Å; A379-L467 HydrophobicContact CB-CD1 3.72Å; A379-L467 WeakPolarHBondContact O-CD1 3.49Å; L381-L467 HydrophobicContact CD2-CD2 3.67Å; L381-L467 HydrophobicContact CD2-CG 4.1Å; L384-L467 HydrophobicContact CB-CD2 3.81Å; L384-L467 HydrophobicContact CD2-CD2 3.48Å; L384-L467 VanDerWaalsContact CD2-CD2 3.48Å; L384-L467 HydrophobicContact CG-CD2 4.19Å; L467-R469 VanDerWaalsContact C-N 3.35Å; L467-R469 PolarHBondContact O-N 3.36Å; L467-V470 PolarHBondContact O-N 3.37Å; L467-S471 WeakPolarHBondContact O-CB 3.4Å; L467-S471 PolarHBondContact O-N 2.63Å; L467-S471 PolarHBondContact O-OG 3.16Å; L467-W499 HydrophobicContact CD1-CH2 3.71Å; L467-W499 HydrophobicContact CD1-CZ3 4.32Å; L467-W499 HydrophobicContact CD2-CH2 4.41Å
468	D	88.3	Confident	88	Confident	52 Å²	52	51.9 Å²	51.9	28%	0.278	26%	0.264	S	S	.	.	H	α-helix	trans	-57.4	-50.6	-179.3	-175.8	57.7	0	0	0	110.3	R373 I377 G466 V470 S471 R472	R373-D468 IonicContact NH1-OD1 3.69Å; R373-D468 PolarHBondContact NH1-OD1 3.25Å; I377-D468 HydrophobicContact CD1-CB 3.79Å; G466-D468 VanDerWaalsContact C-N 3.34Å; G466-D468 PolarHBondContact O-N 3.26Å; D468-V470 PolarHBondContact O-N 3.46Å; D468-S471 PolarHBondContact O-N 3.32Å; D468-S471 PolarHBondContact O-OG 2.98Å; D468-R472 VanDerWaalsContact CG-NE 3.3Å; D468-R472 WeakPolarHBondContact O-CB 3.5Å; D468-R472 WeakPolarHBondContact O-CG 3.47Å; D468-R472 PolarHBondContact O-N 3.19Å; D468-R472 IonicContact OD1-CZ 3.75Å; D468-R472 IonicContact OD1-NE 2.63Å; D468-R472 PolarHBondContact OD1-NE 3.4Å; D468-R472 VanDerWaalsContact OD1-NE 3.16Å; D468-R472 IonicContact OD1-NH2 3.07Å; D468-R472 WeakPolarHBondContact OD2-CD 3.3Å; D468-R472 IonicContact OD2-CZ 2.79Å; D468-R472 IonicContact OD2-NE 3.27Å; D468-R472 PolarHBondContact OD2-NE 3.19Å; D468-R472 IonicContact OD2-NH2 2.72Å
469	R	89.1	Confident	88.4	Confident	70 Å²	70	51.3 Å²	51.3	26%	0.264	26%	0.261	S	S	.	.	H	α-helix	trans	-64.8	-40.3	-178.8	-170.9	62.2	171.7	-170.5	-0.8	112.6	R361 V461 H465 L467 R472 V473	R361-R469 PolarHBondContact O-NH1 3.09Å; V461-R469 HydrophobicContact CG1-CB 3.96Å; V461-R469 HydrophobicContact CG1-CG 3.91Å; V461-R469 HydrophobicContact CG2-CG 3.8Å; H465-R469 HydrophobicContact CB-CB 3.64Å; H465-R469 HydrophobicContact CB-CG 4.04Å; L467-R469 VanDerWaalsContact C-N 3.35Å; L467-R469 PolarHBondContact O-N 3.36Å; R469-R472 PolarHBondContact O-N 3.06Å; R469-V473 VanDerWaalsContact O-CG2 3.26Å; R469-V473 WeakPolarHBondContact O-CG2 3.43Å; R469-V473 PolarHBondContact O-N 2.86Å
470	V	92.2	Very high	88.8	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-57.9	-52.2	174.9	175.8	0	0	0	0	110	L381 L384 V461 L467 D468 R472 V473 L474 V480 L482 V491 F496	L381-V470 HydrophobicContact CD2-CG2 4.12Å; L384-V470 HydrophobicContact CD2-CG1 4.1Å; V461-V470 HydrophobicContact CB-CG2 4.18Å; V461-V470 HydrophobicContact CG1-CG2 3.82Å; L467-V470 PolarHBondContact O-N 3.37Å; D468-V470 PolarHBondContact O-N 3.46Å; V470-R472 PolarHBondContact O-N 2.98Å; V470-V473 PolarHBondContact O-N 3.16Å; V470-L474 HydrophobicContact CG1-CD1 3.99Å; V470-L474 WeakPolarHBondContact O-CG 3.41Å; V470-L474 PolarHBondContact O-N 3.13Å; V470-L474 VanDerWaalsContact O-N 3.12Å; V470-V480 HydrophobicContact CG1-CG1 3.87Å; V470-L482 HydrophobicContact CG2-CD1 3.78Å; V470-V491 HydrophobicContact CG1-CG1 4.33Å; V470-F496 HydrophobicContact CG1-CD2 4.47Å; V470-F496 HydrophobicContact CG1-CE2 4.47Å
471	S	91.7	Very high	89	Confident	12 Å²	12	42.9 Å²	42.9	8%	0.084	23%	0.225	C	C	.	.	H	α-helix	trans	-62.2	-40.8	-177.8	75.5	0	0	0	0	112.6	W376 L467 D468 L474 T475 F496	W376-S471 VanDerWaalsContact CH2-CB 3.41Å; L467-S471 WeakPolarHBondContact O-CB 3.4Å; L467-S471 PolarHBondContact O-N 2.63Å; L467-S471 PolarHBondContact O-OG 3.16Å; D468-S471 PolarHBondContact O-N 3.32Å; D468-S471 PolarHBondContact O-OG 2.98Å; S471-L474 PolarHBondContact O-N 3.42Å; S471-T475 PolarHBondContact O-N 3Å; S471-F496 VanDerWaalsContact CB-CZ 3.45Å
472	R	92.5	Very high	89.2	Confident	18 Å²	18	42.8 Å²	42.8	7%	0.068	23%	0.225	C	C	.	.	H	α-helix	trans	-62.1	-49.6	176.4	-77.4	179.5	-172.2	-99.9	4.3	111.6	F359 S360 M364 D365 R373 D468 R469 V470 L474 T475	F359-R472 HydrophobicContact CD1-CG 4.2Å; F359-R472 HydrophobicContact CE1-CB 4.38Å; F359-R472 HydrophobicContact CE1-CG 3.71Å; F359-R472 HydrophobicContact CE2-CG 4.49Å; F359-R472 VanDerWaalsContact CE2-NH1 3.26Å; F359-R472 HydrophobicContact CZ-CG 3.87Å; F359-R472 PolarHBondContact O-NH1 2.86Å; S360-R472 VanDerWaalsContact CA-O 3.31Å; S360-R472 WeakPolarHBondContact CA-O 3.49Å; S360-R472 VanDerWaalsContact CB-O 3.25Å; S360-R472 WeakPolarHBondContact CB-O 3.45Å; M364-R472 PolarHBondContact O-NH1 3.42Å; D365-R472 IonicContact OD1-CZ 2.81Å; D365-R472 IonicContact OD1-NH1 3.91Å; D365-R472 PolarHBondContact OD1-NH1 3.16Å; D365-R472 IonicContact OD1-NH2 3.49Å; D365-R472 PolarHBondContact OD1-NH2 2.76Å; R373-R472 VanDerWaalsContact NH1-NH2 3.18Å; D468-R472 VanDerWaalsContact CG-NE 3.3Å; D468-R472 WeakPolarHBondContact O-CB 3.5Å; D468-R472 WeakPolarHBondContact O-CG 3.47Å; D468-R472 PolarHBondContact O-N 3.19Å; D468-R472 IonicContact OD1-CZ 3.75Å; D468-R472 IonicContact OD1-NE 2.63Å; D468-R472 PolarHBondContact OD1-NE 3.4Å; D468-R472 VanDerWaalsContact OD1-NE 3.16Å; D468-R472 IonicContact OD1-NH2 3.07Å; D468-R472 WeakPolarHBondContact OD2-CD 3.3Å; D468-R472 IonicContact OD2-CZ 2.79Å; D468-R472 IonicContact OD2-NE 3.27Å; D468-R472 PolarHBondContact OD2-NE 3.19Å; D468-R472 IonicContact OD2-NH2 2.72Å; R469-R472 PolarHBondContact O-N 3.06Å; V470-R472 PolarHBondContact O-N 2.98Å; R472-L474 PolarHBondContact O-N 3.07Å; R472-T475 WeakPolarHBondContact O-CB 3.37Å; R472-T475 PolarHBondContact O-N 3.12Å; R472-T475 PolarHBondContact O-OG1 3.17Å
473	V	91.9	Very high	89.6	Confident	6 Å²	6	39.8 Å²	39.8	4%	0.036	21%	0.209	C	C	.	.	H	α-helix	trans	-58	-41.2	179.2	171	0	0	0	0	110.7	R459 V461 R469 V470 T475 V476 E477 V480	R459-V473 HydrophobicContact CB-CG1 3.68Å; R459-V473 HydrophobicContact CG-CG1 4.12Å; V461-V473 HydrophobicContact CG2-CG2 4.13Å; R469-V473 VanDerWaalsContact O-CG2 3.26Å; R469-V473 WeakPolarHBondContact O-CG2 3.43Å; R469-V473 PolarHBondContact O-N 2.86Å; V470-V473 PolarHBondContact O-N 3.16Å; V473-T475 PolarHBondContact O-N 3Å; V473-V476 PolarHBondContact O-N 3.31Å; V473-E477 HydrophobicContact CG1-CB 4.07Å; V473-E477 HydrophobicContact CG1-CG 3.7Å; V473-E477 WeakPolarHBondContact O-CB 3.49Å; V473-E477 PolarHBondContact O-N 3.13Å; V473-V480 HydrophobicContact CB-CG2 4.3Å; V473-V480 HydrophobicContact CG1-CB 3.83Å; V473-V480 HydrophobicContact CG1-CG2 3.75Å
474	L	93.7	Very high	90.2	Very high	5 Å²	5	35.4 Å²	35.4	3%	0.026	19%	0.188	C	C	.	.	H	α-helix	trans	-69.4	-7.6	179.3	-68.3	173.6	0	0	0	114.5	V470 S471 R472 V476 V480 V491 R493 F496	V470-L474 HydrophobicContact CG1-CD1 3.99Å; V470-L474 WeakPolarHBondContact O-CG 3.41Å; V470-L474 PolarHBondContact O-N 3.13Å; V470-L474 VanDerWaalsContact O-N 3.12Å; S471-L474 PolarHBondContact O-N 3.42Å; R472-L474 PolarHBondContact O-N 3.07Å; L474-V476 VanDerWaalsContact C-N 3.28Å; L474-V480 HydrophobicContact CD1-CG1 4.23Å; L474-V480 HydrophobicContact CD2-CB 4.3Å; L474-V480 HydrophobicContact CD2-CG1 3.91Å; L474-V480 HydrophobicContact CG-CG1 3.94Å; L474-V491 HydrophobicContact CD1-CG1 3.82Å; L474-R493 HydrophobicContact CB-CG 4.46Å; L474-R493 HydrophobicContact CD2-CB 4.18Å; L474-R493 WeakPolarHBondContact O-CD 3.27Å; L474-R493 WeakPolarHBondContact O-CG 3.08Å; L474-F496 HydrophobicContact CD1-CB 3.52Å; L474-F496 HydrophobicContact CD1-CD1 4Å; L474-F496 HydrophobicContact CD1-CD2 3.95Å; L474-F496 HydrophobicContact CD1-CG 3.53Å
475	T	89.4	Confident	90.7	Very high	56 Å²	56	33.9 Å²	33.9	34%	0.344	18%	0.182	S	C	.	.	H	α-helix	trans	-68.4	-31.1	171.5	60.7	0	0	0	0	112.2	F359 S471 R472 V473	F359-T475 HydrophobicContact CD1-CG2 3.83Å; F359-T475 HydrophobicContact CE1-CG2 3.73Å; S471-T475 PolarHBondContact O-N 3Å; R472-T475 WeakPolarHBondContact O-CB 3.37Å; R472-T475 PolarHBondContact O-N 3.12Å; R472-T475 PolarHBondContact O-OG1 3.17Å; V473-T475 PolarHBondContact O-N 3Å
476	V	89.2	Confident	91.2	Very high	54 Å²	54	36.4 Å²	36.4	33%	0.327	19%	0.193	S	C	.	.	H	α-helix	trans	-108.9	-45.7	-179.2	175.9	0	0	0	0	111.2	D356 V473 L474	D356-V476 HydrophobicContact CB-CG2 3.87Å; D356-V476 WeakPolarHBondContact O-CG2 3.25Å; V473-V476 PolarHBondContact O-N 3.31Å; L474-V476 VanDerWaalsContact C-N 3.28Å
477	E	91.3	Very high	91.6	Very high	58 Å²	58	37.7 Å²	37.7	27%	0.271	19%	0.194	S	C	.	.	S	Bend	trans	-83.6	141.8	-175.3	-52.5	-67.2	-178.1	0	0	111.1	R459 V473 Y479	R459-E477 HydrophobicContact CG-CG 4Å; R459-E477 IonicContact NE-OE1 2.82Å; V473-E477 HydrophobicContact CG1-CB 4.07Å; V473-E477 HydrophobicContact CG1-CG 3.7Å; V473-E477 WeakPolarHBondContact O-CB 3.49Å; V473-E477 PolarHBondContact O-N 3.13Å; E477-Y479 WeakPolarHBondContact CB-O 3.41Å; E477-Y479 PolarHBondContact O-N 2.78Å
478	S	92.9	Very high	91.8	Very high	74 Å²	74	37.5 Å²	37.5	52%	0.517	19%	0.193	S	C	.	.	S	Bend	trans	-67.8	-20.9	175.3	-61.2	0	0	0	0	113	R493	S478-R493 WeakPolarHBondContact O-CB 3.46Å; S478-R493 PolarHBondContact O-N 2.94Å
479	Y	95.2	Very high	92.1	Very high	19 Å²	19	37.6 Å²	37.6	8%	0.075	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	164.1	177	49.2	-97.3	0	0	0	111.4	V430 D432 N455 E477 L490 V491	V430-Y479 HydrophobicContact CB-CD2 4.39Å; V430-Y479 HydrophobicContact CB-CE2 3.63Å; V430-Y479 HydrophobicContact CG1-CD2 4.12Å; V430-Y479 HydrophobicContact CG1-CE1 4.23Å; V430-Y479 HydrophobicContact CG1-CE2 3.65Å; V430-Y479 HydrophobicContact CG2-CD2 4.11Å; V430-Y479 HydrophobicContact CG2-CE2 3.64Å; D432-Y479 HydrophobicContact CB-CE1 4.16Å; D432-Y479 WeakPolarHBondContact OD2-CE1 3.39Å; D432-Y479 VanDerWaalsContact OD2-CZ 3.3Å; D432-Y479 PolarHBondContact OD2-OH 3.27Å; N455-Y479 WeakPolarHBondContact CB-OH 3.31Å; N455-Y479 PolarHBondContact ND2-OH 3.46Å; E477-Y479 WeakPolarHBondContact CB-O 3.41Å; E477-Y479 PolarHBondContact O-N 2.78Å; Y479-L490 HydrophobicContact CD2-CD1 3.82Å; Y479-L490 HydrophobicContact CG-CD1 3.94Å; Y479-V491 CarbonylContact C-O 3.59Å; Y479-V491 WeakPolarHBondContact CA-O 3.5Å; Y479-V491 WeakPolarHBondContact CB-O 3.47Å
480	V	95.2	Very high	92.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	144.4	172.6	63.3	0	0	0	0	109.8	R459 V461 V470 V473 L474 V491	R459-V480 HydrophobicContact CB-CG2 4.33Å; R459-V480 WeakPolarHBondContact O-CG2 3.47Å; V461-V480 HydrophobicContact CB-CG2 4.31Å; V461-V480 HydrophobicContact CG2-CG2 3.65Å; V470-V480 HydrophobicContact CG1-CG1 3.87Å; V473-V480 HydrophobicContact CB-CG2 4.3Å; V473-V480 HydrophobicContact CG1-CB 3.83Å; V473-V480 HydrophobicContact CG1-CG2 3.75Å; L474-V480 HydrophobicContact CD1-CG1 4.23Å; L474-V480 HydrophobicContact CD2-CB 4.3Å; L474-V480 HydrophobicContact CD2-CG1 3.91Å; L474-V480 HydrophobicContact CG-CG1 3.94Å; V480-V491 HydrophobicContact CG1-CB 3.92Å; V480-V491 PolarHBondContact N-O 3.01Å; V480-V491 PolarHBondContact O-N 2.84Å
481	V	95.3	Very high	92.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	110.9	172.4	176.4	0	0	0	0	108.4	L416 V427 V430 Y458 R459 Q460 V461 P488 Y489 L490	L416-V481 HydrophobicContact CD2-CG2 3.77Å; V427-V481 HydrophobicContact CG2-CG1 4.19Å; V430-V481 HydrophobicContact CG2-CG2 3.93Å; Y458-V481 HydrophobicContact CD2-CB 3.89Å; Y458-V481 HydrophobicContact CD2-CG2 3.32Å; Y458-V481 HydrophobicContact CE2-CB 4.01Å; Y458-V481 HydrophobicContact CE2-CG1 4.41Å; Y458-V481 HydrophobicContact CE2-CG2 3.63Å; Y458-V481 HydrophobicContact CG-CG2 4.2Å; R459-V481 PolarHBondContact O-N 3.27Å; Q460-V481 CarbonylContact C-O 3.57Å; Q460-V481 WeakPolarHBondContact CA-O 3.45Å; Q460-V481 HydrophobicContact CG-CB 4.1Å; Q460-V481 HydrophobicContact CG-CG1 4.39Å; V461-V481 PolarHBondContact N-O 3.32Å; V481-P488 HydrophobicContact CG1-CB 4.09Å; V481-Y489 CarbonylContact C-O 3.51Å; V481-Y489 WeakPolarHBondContact CA-O 3.49Å; V481-L490 HydrophobicContact CG2-CD1 4.31Å
482	L	94.6	Very high	92.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	126.4	178.8	177.4	63.3	0	0	0	109.6	L381 L384 I385 V461 V470 P488 Y489 V491	L381-L482 HydrophobicContact CB-CD2 4.37Å; L381-L482 HydrophobicContact CD1-CD1 3.86Å; L381-L482 HydrophobicContact CD2-CD1 3.99Å; L381-L482 HydrophobicContact CD2-CD2 3.93Å; L381-L482 HydrophobicContact CG-CD1 4.49Å; L384-L482 HydrophobicContact CD2-CD2 4.39Å; I385-L482 HydrophobicContact CD1-CD2 3.96Å; I385-L482 HydrophobicContact CG1-CD2 4.04Å; V461-L482 HydrophobicContact CB-CD1 4.37Å; V461-L482 HydrophobicContact CG1-CD1 4.34Å; V461-L482 WeakPolarHBondContact O-CA 3.42Å; V470-L482 HydrophobicContact CG2-CD1 3.78Å; L482-P488 CarbonylContact O-C 3.58Å; L482-P488 WeakPolarHBondContact O-CA 3.49Å; L482-Y489 PolarHBondContact N-O 3.32Å; L482-Y489 PolarHBondContact O-N 2.84Å; L482-V491 HydrophobicContact CB-CG2 3.94Å; L482-V491 HydrophobicContact CD2-CG2 4.15Å
483	W	92.9	Very high	92.9	Very high	49 Å²	49	38.6 Å²	38.6	19%	0.186	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	120.7	170	-68.6	92.5	0	0	0	109.9	I425 V427 V461 E463 E486 P488	I425-W483 WeakPolarHBondContact O-CH2 3.39Å; V427-W483 HydrophobicContact CB-CZ2 4.39Å; V427-W483 HydrophobicContact CG2-CH2 3.99Å; V427-W483 HydrophobicContact CG2-CZ2 3.67Å; V461-W483 PolarHBondContact O-N 3.47Å; E463-W483 PolarHBondContact N-O 2.93Å; W483-E486 WeakPolarHBondContact CZ3-O 3.47Å; W483-P488 HydrophobicContact CD2-CB 4.19Å; W483-P488 HydrophobicContact CE3-CB 4.07Å; W483-P488 HydrophobicContact CH2-CB 4.04Å; W483-P488 HydrophobicContact CH2-CG 4.13Å; W483-P488 HydrophobicContact CZ2-CB 4.15Å; W483-P488 HydrophobicContact CZ3-CB 4Å; W483-P488 HydrophobicContact CZ3-CG 4.05Å
484	N	91.4	Very high	93	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.016	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	126.7	174.8	-180	26.4	0	0	0	108.3	D382 I385 E463 E486 N487 Y489	D382-N484 PolarHBondContact OD1-ND2 2.92Å; I385-N484 HydrophobicContact CD1-CB 3.65Å; I385-N484 WeakPolarHBondContact CD1-ND2 3.23Å; E463-N484 PolarHBondContact OE2-OD1 3.21Å; N484-E486 VanDerWaalsContact C-N 3.35Å; N484-E486 PolarHBondContact O-N 3.22Å; N484-N487 PolarHBondContact N-O 3.39Å; N484-N487 WeakPolarHBondContact O-CB 3.38Å; N484-N487 PolarHBondContact O-N 2.85Å; N484-Y489 HydrophobicContact CB-CD2 4.2Å; N484-Y489 HydrophobicContact CB-CE2 3.97Å
485	N	88.8	Confident	93	Very high	104 Å²	104	42.4 Å²	42.4	56%	0.556	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.6	52.5	-177.2	-67.1	-58.7	0	0	0	113.7	N487	N485-N487 PolarHBondContact O-N 2.85Å; N485-N487 PolarHBondContact O-ND2 3.09Å
486	E	86.7	Confident	93.2	Very high	152 Å²	152	40.5 Å²	40.5	71%	0.71	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.1	7.1	-177.5	-54	-171.4	156.5	0	0	115.9	W483 N484	W483-E486 WeakPolarHBondContact CZ3-O 3.47Å; N484-E486 VanDerWaalsContact C-N 3.35Å; N484-E486 PolarHBondContact O-N 3.22Å
487	N	91.8	Very high	93.5	Very high	55 Å²	55	42 Å²	42	29%	0.294	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	131.4	-179.9	-82.5	-85.9	0	0	0	110.9	R393 N484 N485 Y489	R393-N487 PolarHBondContact NH1-OD1 3.05Å; R393-N487 VanDerWaalsContact NH1-OD1 3.08Å; R393-N487 PolarHBondContact NH2-OD1 3.34Å; N484-N487 PolarHBondContact N-O 3.39Å; N484-N487 WeakPolarHBondContact O-CB 3.38Å; N484-N487 PolarHBondContact O-N 2.85Å; N485-N487 PolarHBondContact O-N 2.85Å; N485-N487 PolarHBondContact O-ND2 3.09Å; N487-Y489 HydrophobicContact CB-CE2 3.66Å; N487-Y489 VanDerWaalsContact O-CD2 3.24Å; N487-Y489 WeakPolarHBondContact O-CD2 3.47Å; N487-Y489 WeakPolarHBondContact O-CE2 3.48Å
488	P	94.2	Very high	93.6	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	136.2	175.6	33.7	-34	0	0	0	111.2	R393 L416 I425 V427 V481 L482 W483	R393-P488 PolarHBondContact NE-O 3.47Å; R393-P488 PolarHBondContact NH2-O 3.38Å; L416-P488 HydrophobicContact CD1-CB 3.87Å; L416-P488 HydrophobicContact CD1-CG 4.17Å; I425-P488 HydrophobicContact CG2-CG 3.89Å; V427-P488 HydrophobicContact CG2-CB 3.5Å; V427-P488 HydrophobicContact CG2-CG 3.73Å; V481-P488 HydrophobicContact CG1-CB 4.09Å; L482-P488 CarbonylContact O-C 3.58Å; L482-P488 WeakPolarHBondContact O-CA 3.49Å; W483-P488 HydrophobicContact CD2-CB 4.19Å; W483-P488 HydrophobicContact CE3-CB 4.07Å; W483-P488 HydrophobicContact CH2-CB 4.04Å; W483-P488 HydrophobicContact CH2-CG 4.13Å; W483-P488 HydrophobicContact CZ2-CB 4.15Å; W483-P488 HydrophobicContact CZ3-CB 4Å; W483-P488 HydrophobicContact CZ3-CG 4.05Å
489	Y	95.2	Very high	93.7	Very high	55 Å²	55	42.4 Å²	42.4	22%	0.216	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	143.3	176.1	-62.4	-91.4	0	0	0	109.4	I385 V481 L482 N484 N487	I385-Y489 HydrophobicContact CD1-CD1 4.33Å; I385-Y489 HydrophobicContact CD1-CD2 3.72Å; I385-Y489 HydrophobicContact CD1-CE1 4.43Å; I385-Y489 HydrophobicContact CD1-CE2 3.86Å; I385-Y489 HydrophobicContact CD1-CG 3.98Å; I385-Y489 HydrophobicContact CG1-CD1 4.19Å; I385-Y489 HydrophobicContact CG1-CD2 4.33Å; I385-Y489 HydrophobicContact CG1-CG 4.07Å; I385-Y489 HydrophobicContact CG2-CD1 3.65Å; I385-Y489 HydrophobicContact CG2-CE1 3.44Å; I385-Y489 VanDerWaalsContact CG2-CE1 3.44Å; I385-Y489 HydrophobicContact CG2-CG 4.35Å; V481-Y489 CarbonylContact C-O 3.51Å; V481-Y489 WeakPolarHBondContact CA-O 3.49Å; L482-Y489 PolarHBondContact N-O 3.32Å; L482-Y489 PolarHBondContact O-N 2.84Å; N484-Y489 HydrophobicContact CB-CD2 4.2Å; N484-Y489 HydrophobicContact CB-CE2 3.97Å; N487-Y489 HydrophobicContact CB-CE2 3.66Å; N487-Y489 VanDerWaalsContact O-CD2 3.24Å; N487-Y489 WeakPolarHBondContact O-CD2 3.47Å; N487-Y489 WeakPolarHBondContact O-CE2 3.48Å
490	L	95.7	Very high	93.7	Very high	12 Å²	12	41.6 Å²	41.6	6%	0.063	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	113.8	174.4	-175.2	64.5	0	0	0	108.8	T391 L416 V430 Y479 V481	T391-L490 HydrophobicContact CG2-CB 4.13Å; T391-L490 PolarHBondContact OG1-N 3.19Å; L416-L490 HydrophobicContact CD1-CB 4.44Å; L416-L490 HydrophobicContact CD2-CB 3.88Å; L416-L490 HydrophobicContact CD2-CD1 3.94Å; L416-L490 HydrophobicContact CD2-CG 4.33Å; L416-L490 HydrophobicContact CG-CB 3.99Å; V430-L490 HydrophobicContact CG1-CD1 4.07Å; V430-L490 HydrophobicContact CG1-CD2 4.08Å; V430-L490 HydrophobicContact CG2-CD1 4.16Å; Y479-L490 HydrophobicContact CD2-CD1 3.82Å; Y479-L490 HydrophobicContact CG-CD1 3.94Å; V481-L490 HydrophobicContact CG2-CD1 4.31Å
491	V	95.6	Very high	93.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	111.4	175.1	-173.7	0	0	0	0	107.8	L384 L388 V470 L474 Y479 V480 L482 F496	L384-V491 HydrophobicContact CD2-CG1 4.42Å; L384-V491 HydrophobicContact CD2-CG2 4.42Å; L388-V491 HydrophobicContact CD1-CB 4.14Å; L388-V491 HydrophobicContact CD1-CG1 3.82Å; L388-V491 HydrophobicContact CD1-CG2 3.67Å; L388-V491 HydrophobicContact CD2-CG1 4.37Å; V470-V491 HydrophobicContact CG1-CG1 4.33Å; L474-V491 HydrophobicContact CD1-CG1 3.82Å; Y479-V491 CarbonylContact C-O 3.59Å; Y479-V491 WeakPolarHBondContact CA-O 3.5Å; Y479-V491 WeakPolarHBondContact CB-O 3.47Å; V480-V491 HydrophobicContact CG1-CB 3.92Å; V480-V491 PolarHBondContact N-O 3.01Å; V480-V491 PolarHBondContact O-N 2.84Å; L482-V491 HydrophobicContact CB-CG2 3.94Å; L482-V491 HydrophobicContact CD2-CG2 4.15Å; V491-F496 HydrophobicContact CG1-CB 4.11Å; V491-F496 HydrophobicContact CG1-CD2 4.38Å
492	C	95.5	Very high	93.4	Very high	9 Å²	9	54 Å²	54	6%	0.061	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	147.8	174.5	-56.7	0	0	0	0	110.7	D494 D495 F496	C492-D494 PolarHBondContact O-N 3.16Å; C492-D495 HydrophobicContact CB-CB 4.47Å; C492-D495 WeakPolarHBondContact CB-OD2 3.25Å; C492-D495 PolarHBondContact O-N 3.42Å; C492-D495 VanDerWaalsContact O-N 3.15Å; C492-F496 PolarHBondContact O-N 3.39Å
493	R	94.7	Very high	93.1	Very high	100 Å²	100	57.5 Å²	57.5	38%	0.377	27%	0.27	S	S	.	.	H	α-helix	trans	-56	-47.4	-176.8	-176.8	169.9	70	-169.5	-4.1	113.4	L474 S478 D495 F496 L497	L474-R493 HydrophobicContact CB-CG 4.46Å; L474-R493 HydrophobicContact CD2-CB 4.18Å; L474-R493 WeakPolarHBondContact O-CD 3.27Å; L474-R493 WeakPolarHBondContact O-CG 3.08Å; S478-R493 WeakPolarHBondContact O-CB 3.46Å; S478-R493 PolarHBondContact O-N 2.94Å; R493-D495 VanDerWaalsContact C-N 3.3Å; R493-D495 PolarHBondContact O-N 3.13Å; R493-F496 PolarHBondContact O-N 2.69Å; R493-L497 PolarHBondContact O-N 3.3Å
494	D	93.2	Very high	92.5	Very high	61 Å²	61	61.5 Å²	61.5	33%	0.326	29%	0.291	S	S	.	.	H	α-helix	trans	-71.1	-29.7	-177.7	-42	-24.1	0	0	0	111.5	R413 C492 L497 H498	R413-D494 VanDerWaalsContact CZ-CB 3.48Å; R413-D494 IonicContact CZ-OD2 3.14Å; R413-D494 IonicContact NE-OD2 3.77Å; R413-D494 PolarHBondContact NE-OD2 3.2Å; R413-D494 VanDerWaalsContact NE-OD2 3.14Å; R413-D494 IonicContact NH1-OD2 2.78Å; R413-D494 IonicContact NH2-OD2 3.96Å; R413-D494 PolarHBondContact NH2-OD2 3.28Å; C492-D494 PolarHBondContact O-N 3.16Å; D494-L497 WeakPolarHBondContact O-CB 3.41Å; D494-L497 PolarHBondContact O-N 3.38Å; D494-H498 PolarHBondContact O-CD2 3.48Å; D494-H498 PolarHBondContact O-N 3.24Å
495	D	94.3	Very high	92.5	Very high	30 Å²	30	64.5 Å²	64.5	16%	0.16	31%	0.305	C	S	.	.	H	α-helix	trans	-70	-40.2	176.2	-56.9	-27.9	0	0	0	110.2	L388 P389 R413 C492 R493 L497 H498 W499	L388-D495 HydrophobicContact CD2-CB 3.64Å; P389-D495 HydrophobicContact CG-CB 4.34Å; R413-D495 IonicContact CZ-OD1 2.87Å; R413-D495 IonicContact NH1-OD1 3.89Å; R413-D495 PolarHBondContact NH1-OD1 2.91Å; R413-D495 IonicContact NH1-OD2 3.68Å; C492-D495 HydrophobicContact CB-CB 4.47Å; C492-D495 WeakPolarHBondContact CB-OD2 3.25Å; C492-D495 PolarHBondContact O-N 3.42Å; C492-D495 VanDerWaalsContact O-N 3.15Å; R493-D495 VanDerWaalsContact C-N 3.3Å; R493-D495 PolarHBondContact O-N 3.13Å; D495-L497 VanDerWaalsContact C-N 3.35Å; D495-H498 PolarHBondContact O-N 2.88Å; D495-W499 WeakPolarHBondContact O-CB 3.24Å; D495-W499 PolarHBondContact O-N 2.88Å
496	F	94.7	Very high	92.7	Very high	15 Å²	15	62.4 Å²	62.4	7%	0.066	29%	0.291	C	S	.	.	H	α-helix	trans	-63.3	-38.4	170.9	-177	-93.5	0	0	0	112.3	W376 L384 V470 S471 L474 V491 C492 R493 W499 S500	W376-F496 HydrophobicContact CE3-CZ 4.24Å; W376-F496 HydrophobicContact CH2-CE1 4.35Å; W376-F496 AromaticContact CH2-CZ 3.87Å; W376-F496 HydrophobicContact CH2-CZ 3.87Å; W376-F496 HydrophobicContact CZ2-CE1 4.45Å; W376-F496 HydrophobicContact CZ2-CZ 4.26Å; W376-F496 AromaticContact CZ3-CZ 3.84Å; W376-F496 HydrophobicContact CZ3-CZ 3.84Å; L384-F496 HydrophobicContact CD1-CD2 3.87Å; L384-F496 HydrophobicContact CD1-CE2 4.29Å; L384-F496 HydrophobicContact CD2-CD2 4.26Å; L384-F496 HydrophobicContact CD2-CE2 4.37Å; V470-F496 HydrophobicContact CG1-CD2 4.47Å; V470-F496 HydrophobicContact CG1-CE2 4.47Å; S471-F496 VanDerWaalsContact CB-CZ 3.45Å; L474-F496 HydrophobicContact CD1-CB 3.52Å; L474-F496 HydrophobicContact CD1-CD1 4Å; L474-F496 HydrophobicContact CD1-CD2 3.95Å; L474-F496 HydrophobicContact CD1-CG 3.53Å; V491-F496 HydrophobicContact CG1-CB 4.11Å; V491-F496 HydrophobicContact CG1-CD2 4.38Å; C492-F496 PolarHBondContact O-N 3.39Å; R493-F496 PolarHBondContact O-N 2.69Å; F496-W499 HydrophobicContact CD2-CE3 4.39Å; F496-W499 HydrophobicContact CE2-CE3 4.15Å; F496-W499 HydrophobicContact CE2-CZ3 4.16Å; F496-W499 PolarHBondContact O-N 3.4Å; F496-S500 VanDerWaalsContact O-CB 3.27Å; F496-S500 WeakPolarHBondContact O-CB 3.23Å; F496-S500 PolarHBondContact O-N 3.05Å; F496-S500 PolarHBondContact O-OG 2.95Å
497	L	94.5	Very high	93.1	Very high	86 Å²	86	57.4 Å²	57.4	45%	0.45	27%	0.268	S	S	.	.	H	α-helix	trans	-60.5	-48.1	174.2	175.3	63	0	0	0	111.1	R493 D494 D495 S500 L501	R493-L497 PolarHBondContact O-N 3.3Å; D494-L497 WeakPolarHBondContact O-CB 3.41Å; D494-L497 PolarHBondContact O-N 3.38Å; D495-L497 VanDerWaalsContact C-N 3.35Å; L497-S500 WeakPolarHBondContact CA-OG 3.44Å; L497-S500 PolarHBondContact O-N 2.96Å; L497-S500 PolarHBondContact O-OG 3.3Å; L497-S500 VanDerWaalsContact O-OG 3.09Å; L497-L501 HydrophobicContact CD1-CD1 3.74Å; L497-L501 HydrophobicContact CD1-CG 4.18Å; L497-L501 HydrophobicContact CG-CD1 4.07Å; L497-L501 WeakPolarHBondContact O-CB 3.43Å; L497-L501 WeakPolarHBondContact O-CG 3.27Å; L497-L501 PolarHBondContact O-N 3.37Å; L497-L501 VanDerWaalsContact O-N 3.07Å
498	H	94.2	Very high	93.1	Very high	127 Å²	127	57.5 Å²	57.5	59%	0.588	27%	0.267	S	S	*	.	H	α-helix	trans	-60.5	-46.2	176.3	-74.9	-60.7	0	0	0	111.9	D494 D495 F502	D494-H498 PolarHBondContact O-CD2 3.48Å; D494-H498 PolarHBondContact O-N 3.24Å; D495-H498 PolarHBondContact O-N 2.88Å; H498-F502 WeakPolarHBondContact O-CB 3.32Å; H498-F502 PolarHBondContact O-N 3.01Å
499	W	95.1	Very high	93.1	Very high	13 Å²	13	61.1 Å²	61.1	5%	0.049	28%	0.283	C	S	.	.	H	α-helix	trans	-62.7	-47	179.3	178.6	90.7	0	0	0	112.5	W376 A379 E383 L384 L467 D495 F496 L501 F502 K503	W376-W499 HydrophobicContact CB-CH2 4.19Å; W376-W499 HydrophobicContact CB-CZ3 4.02Å; W376-W499 HydrophobicContact CD2-CZ3 4.38Å; W376-W499 HydrophobicContact CE3-CZ3 4.27Å; W376-W499 HydrophobicContact CG-CZ3 4.29Å; A379-W499 HydrophobicContact CB-CH2 3.94Å; A379-W499 HydrophobicContact CB-CZ2 4.19Å; E383-W499 PolarHBondContact O-NE1 2.75Å; E383-W499 VanDerWaalsContact O-NE1 3.13Å; L384-W499 HydrophobicContact CB-CH2 4.31Å; L384-W499 HydrophobicContact CB-CZ2 3.93Å; L384-W499 HydrophobicContact CD1-CB 4.36Å; L384-W499 HydrophobicContact CD1-CD2 3.47Å; L384-W499 VanDerWaalsContact CD1-CD2 3.47Å; L384-W499 HydrophobicContact CD1-CE3 3.67Å; L384-W499 HydrophobicContact CD1-CG 3.77Å; L384-W499 HydrophobicContact CD1-CH2 4.47Å; L384-W499 HydrophobicContact CD1-CZ2 4.28Å; L384-W499 HydrophobicContact CD1-CZ3 4.18Å; L467-W499 HydrophobicContact CD1-CH2 3.71Å; L467-W499 HydrophobicContact CD1-CZ3 4.32Å; L467-W499 HydrophobicContact CD2-CH2 4.41Å; D495-W499 WeakPolarHBondContact O-CB 3.24Å; D495-W499 PolarHBondContact O-N 2.88Å; F496-W499 HydrophobicContact CD2-CE3 4.39Å; F496-W499 HydrophobicContact CE2-CE3 4.15Å; F496-W499 HydrophobicContact CE2-CZ3 4.16Å; F496-W499 PolarHBondContact O-N 3.4Å; W499-L501 PolarHBondContact O-N 3.48Å; W499-F502 PolarHBondContact O-N 2.92Å; W499-K503 HydrophobicContact CD2-CG 4.26Å; W499-K503 HydrophobicContact CE3-CG 4.49Å; W499-K503 HydrophobicContact CH2-CG 4.2Å; W499-K503 HydrophobicContact CZ2-CD 4.29Å; W499-K503 HydrophobicContact CZ2-CG 3.99Å; W499-K503 HydrophobicContact CZ3-CG 4.45Å; W499-K503 WeakPolarHBondContact O-CG 3.46Å; W499-K503 PolarHBondContact O-N 3.01Å; W499-K503 VanDerWaalsContact O-N 3.16Å
500	S	94.1	Very high	92.9	Very high	2 Å²	2	61.5 Å²	61.5	1%	0.014	29%	0.288	C	S	.	.	H	α-helix	trans	-67.8	-34.1	-177.7	55.6	0	0	0	0	112.8	F496 L497	F496-S500 VanDerWaalsContact O-CB 3.27Å; F496-S500 WeakPolarHBondContact O-CB 3.23Å; F496-S500 PolarHBondContact O-N 3.05Å; F496-S500 PolarHBondContact O-OG 2.95Å; L497-S500 WeakPolarHBondContact CA-OG 3.44Å; L497-S500 PolarHBondContact O-N 2.96Å; L497-S500 PolarHBondContact O-OG 3.3Å; L497-S500 VanDerWaalsContact O-OG 3.09Å
501	L	93.5	Very high	92.7	Very high	85 Å²	85	65.1 Å²	65.1	45%	0.445	30%	0.304	S	S	.	.	H	α-helix	trans	-71.8	-34.5	172.7	-75.6	170.4	0	0	0	112.7	F372 L497 W499 K503 Q504	F372-L501 HydrophobicContact CE2-CD2 3.9Å; F372-L501 HydrophobicContact CZ-CD2 4.49Å; L497-L501 HydrophobicContact CD1-CD1 3.74Å; L497-L501 HydrophobicContact CD1-CG 4.18Å; L497-L501 HydrophobicContact CG-CD1 4.07Å; L497-L501 WeakPolarHBondContact O-CB 3.43Å; L497-L501 WeakPolarHBondContact O-CG 3.27Å; L497-L501 PolarHBondContact O-N 3.37Å; L497-L501 VanDerWaalsContact O-N 3.07Å; W499-L501 PolarHBondContact O-N 3.48Å; L501-K503 VanDerWaalsContact C-N 3.26Å; L501-K503 PolarHBondContact O-N 3.08Å; L501-Q504 PolarHBondContact O-N 2.97Å
502	F	91.5	Very high	92.5	Very high	176 Å²	176	70.1 Å²	70.1	77%	0.772	33%	0.327	S	S	*	.	H	α-helix	trans	-69.4	-24.2	176	-178.3	-95.2	0	0	0	113	H498 W499	H498-F502 WeakPolarHBondContact O-CB 3.32Å; H498-F502 PolarHBondContact O-N 3.01Å; W499-F502 PolarHBondContact O-N 2.92Å
503	K	87.6	Confident	92.3	Very high	73 Å²	73	75.2 Å²	75.2	32%	0.317	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-15.1	177.3	-75.4	-77.1	-177.2	171	0	113.9	W376 E383 W499 L501	W376-K503 HydrophobicContact CB-CB 3.81Å; W376-K503 HydrophobicContact CB-CG 4.32Å; E383-K503 IonicContact OE2-NZ 2.69Å; E383-K503 PolarHBondContact OE2-NZ 3.08Å; W499-K503 HydrophobicContact CD2-CG 4.26Å; W499-K503 HydrophobicContact CE3-CG 4.49Å; W499-K503 HydrophobicContact CH2-CG 4.2Å; W499-K503 HydrophobicContact CZ2-CD 4.29Å; W499-K503 HydrophobicContact CZ2-CG 3.99Å; W499-K503 HydrophobicContact CZ3-CG 4.45Å; W499-K503 WeakPolarHBondContact O-CG 3.46Å; W499-K503 PolarHBondContact O-N 3.01Å; W499-K503 VanDerWaalsContact O-N 3.16Å; L501-K503 VanDerWaalsContact C-N 3.26Å; L501-K503 PolarHBondContact O-N 3.08Å
504	Q	79.9	Confident	92.1	Very high	134 Å²	134	72.9 Å²	72.9	63%	0.626	35%	0.347	S	S	*	.			trans	-72.2	0	169.7	-59.3	-157.4	-33	0	0	110.5	F372 N375 L501	F372-Q504 VanDerWaalsContact CE2-NE2 3.25Å; N375-Q504 HydrophobicContact CB-CG 4.05Å; N375-Q504 PolarHBondContact ND2-NE2 3.31Å; N375-Q504 VanDerWaalsContact ND2-NE2 3.11Å; L501-Q504 PolarHBondContact O-N 2.97Å

Retrieved 504 of 504 residues in 109.4 ms (Link to these results)

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