A0A077Z3L7_TRITR Loading...

Polypeptide N-acetylgalactosaminyltransferase

AlphaFold DB , UniProt , Accession A0A077Z3L7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 614 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	52.8	Low	70.8	Confident	211 Å²	211	169.1 Å²	169.1	100%	1.039	72%	0.716	S	S	*	*				0	-39.9	0	-96.9	-173.8	143.6	0	0	115.2	K3 R4	M1-K3 PolarHBondContact O-N 3.17Å; M1-R4 PolarHBondContact O-N 2.89Å
2	L	57.4	Low	71.9	Confident	155 Å²	155	166 Å²	166	81%	0.812	70%	0.704	S	S	*	*	H	α-helix	trans	-58.3	-41.6	-175.4	-87.6	98.8	0	0	0	115.3	R4 K5 W6	L2-R4 PolarHBondContact O-N 3.48Å; L2-R4 VanDerWaalsContact O-N 3.16Å; L2-K5 PolarHBondContact O-N 3.15Å; L2-W6 PolarHBondContact O-N 2.64Å
3	K	63.1	Low	73	Confident	187 Å²	187	161.6 Å²	161.6	81%	0.813	69%	0.693	S	S	*	*	H	α-helix	trans	-58.4	-29.9	178.7	-77.2	-174.7	176	179.6	0	113.6	M1 K7	M1-K3 PolarHBondContact O-N 3.17Å; K3-K7 PolarHBondContact O-N 3.3Å
4	R	68.8	Low	73.8	Confident	207 Å²	207	158 Å²	158	78%	0.781	69%	0.685	S	S	*	*	H	α-helix	trans	-78.8	-35.4	-178.7	-136.1	176.9	-175.7	-179.3	1.2	112.1	M1 L2 R8	M1-R4 PolarHBondContact O-N 2.89Å; L2-R4 PolarHBondContact O-N 3.48Å; L2-R4 VanDerWaalsContact O-N 3.16Å; R4-R8 PolarHBondContact O-N 3.49Å
5	K	69.8	Low	74.5	Confident	158 Å²	158	150.6 Å²	150.6	69%	0.687	66%	0.659	S	S	*	*	H	α-helix	trans	-67.5	-38.4	173.8	-78.7	-173.2	174.6	-178.9	0	111.8	L2 R8 R9	L2-K5 PolarHBondContact O-N 3.15Å; K5-R8 PolarHBondContact O-N 3.18Å; K5-R9 PolarHBondContact O-N 3.29Å
6	W	71.3	Confident	75.2	Confident	182 Å²	182	149.8 Å²	149.8	69%	0.689	66%	0.655	S	S	*	*	H	α-helix	trans	-68.3	-42.9	-179.5	-144.4	71.7	0	0	0	112.4	L2 R8 R9 I10	L2-W6 PolarHBondContact O-N 2.64Å; W6-R8 VanDerWaalsContact C-N 3.35Å; W6-R8 PolarHBondContact O-N 2.81Å; W6-R9 PolarHBondContact O-N 3.42Å; W6-I10 HydrophobicContact CD2-CD1 3.89Å; W6-I10 HydrophobicContact CE3-CD1 3.27Å; W6-I10 HydrophobicContact CE3-CG1 4.41Å; W6-I10 HydrophobicContact CH2-CD1 3.78Å; W6-I10 HydrophobicContact CZ2-CD1 4.33Å; W6-I10 HydrophobicContact CZ3-CD1 3.23Å; W6-I10 PolarHBondContact O-N 3.15Å; W6-I10 VanDerWaalsContact O-N 3.08Å
7	K	74.4	Confident	75.7	Confident	163 Å²	163	145.5 Å²	145.5	71%	0.709	64%	0.644	S	S	*	*	H	α-helix	trans	-59.1	-40.8	173.7	-77.1	-170.5	175.5	-170.2	0	113.1	K3 W11	K3-K7 PolarHBondContact O-N 3.3Å; K7-W11 WeakPolarHBondContact O-CB 3.35Å; K7-W11 PolarHBondContact O-N 3.46Å
8	R	76.5	Confident	76	Confident	181 Å²	181	139.8 Å²	139.8	68%	0.683	63%	0.628	S	S	*	*	H	α-helix	trans	-64.6	-43.8	176.7	-79.7	-174.5	177	-180	-1.5	112.2	R4 K5 W6 W11 F12	R4-R8 PolarHBondContact O-N 3.49Å; K5-R8 PolarHBondContact O-N 3.18Å; W6-R8 VanDerWaalsContact C-N 3.35Å; W6-R8 PolarHBondContact O-N 2.81Å; R8-W11 PolarHBondContact O-N 2.91Å; R8-F12 VanDerWaalsContact O-CD2 3.31Å; R8-F12 WeakPolarHBondContact O-CD2 3.4Å; R8-F12 PolarHBondContact O-N 3.24Å
9	R	79.4	Confident	76.1	Confident	187 Å²	187	136.3 Å²	136.3	71%	0.706	62%	0.621	S	S	*	*	H	α-helix	trans	-62.2	-43.6	178.1	-77.7	-175.4	173.9	-179.8	-3	112.2	K5 W6 W11 F12 I13	K5-R9 PolarHBondContact O-N 3.29Å; W6-R9 PolarHBondContact O-N 3.42Å; R9-W11 VanDerWaalsContact C-N 3.33Å; R9-W11 PolarHBondContact O-N 3.48Å; R9-F12 PolarHBondContact O-N 3.18Å; R9-I13 WeakPolarHBondContact O-CG1 3.45Å; R9-I13 PolarHBondContact O-N 3.07Å
10	I	82.9	Confident	76.1	Confident	64 Å²	64	133.2 Å²	133.2	33%	0.328	61%	0.609	S	S	.	*	H	α-helix	trans	-62.6	-42.7	176.9	-70.6	172.4	0	0	0	111	W6 F12 I13 L14	W6-I10 HydrophobicContact CD2-CD1 3.89Å; W6-I10 HydrophobicContact CE3-CD1 3.27Å; W6-I10 HydrophobicContact CE3-CG1 4.41Å; W6-I10 HydrophobicContact CH2-CD1 3.78Å; W6-I10 HydrophobicContact CZ2-CD1 4.33Å; W6-I10 HydrophobicContact CZ3-CD1 3.23Å; W6-I10 PolarHBondContact O-N 3.15Å; W6-I10 VanDerWaalsContact O-N 3.08Å; I10-F12 PolarHBondContact O-N 3.4Å; I10-I13 PolarHBondContact O-N 2.86Å; I10-L14 HydrophobicContact CG2-CD1 3.7Å; I10-L14 HydrophobicContact CG2-CG 4.29Å; I10-L14 WeakPolarHBondContact O-CB 3.46Å; I10-L14 WeakPolarHBondContact O-CG 3.17Å; I10-L14 PolarHBondContact O-N 2.96Å
11	W	82.7	Confident	75.9	Confident	165 Å²	165	130.2 Å²	130.2	63%	0.625	60%	0.601	S	S	*	*	H	α-helix	trans	-62.5	-42.5	178.6	-168.2	76.2	0	0	0	112.2	K7 R8 R9 I13 L14 T15	K7-W11 WeakPolarHBondContact O-CB 3.35Å; K7-W11 PolarHBondContact O-N 3.46Å; R8-W11 PolarHBondContact O-N 2.91Å; R9-W11 VanDerWaalsContact C-N 3.33Å; R9-W11 PolarHBondContact O-N 3.48Å; W11-I13 PolarHBondContact O-N 3.1Å; W11-L14 PolarHBondContact O-N 2.79Å; W11-T15 HydrophobicContact CD2-CG2 4.21Å; W11-T15 HydrophobicContact CE3-CG2 4.44Å; W11-T15 HydrophobicContact CH2-CG2 4.3Å; W11-T15 HydrophobicContact CZ2-CG2 4.04Å; W11-T15 HydrophobicContact CZ3-CG2 4.48Å; W11-T15 WeakPolarHBondContact O-CG2 3.43Å; W11-T15 PolarHBondContact O-N 3.08Å; W11-T15 PolarHBondContact O-OG1 3.05Å
12	F	83.4	Confident	76.9	Confident	132 Å²	132	126.3 Å²	126.3	58%	0.579	58%	0.583	S	S	*	*	H	α-helix	trans	-63	-38.9	174.5	-90.2	-72.9	0	0	0	113.6	R8 R9 I10 T15 F16	R8-F12 VanDerWaalsContact O-CD2 3.31Å; R8-F12 WeakPolarHBondContact O-CD2 3.4Å; R8-F12 PolarHBondContact O-N 3.24Å; R9-F12 PolarHBondContact O-N 3.18Å; I10-F12 PolarHBondContact O-N 3.4Å; F12-T15 WeakPolarHBondContact CA-OG1 3.48Å; F12-T15 PolarHBondContact O-OG1 3.27Å; F12-T15 VanDerWaalsContact O-OG1 3.06Å; F12-F16 VanDerWaalsContact O-CB 3.28Å; F12-F16 WeakPolarHBondContact O-CB 3.19Å; F12-F16 PolarHBondContact O-N 3.29Å
13	I	86.1	Confident	77.6	Confident	109 Å²	109	123.8 Å²	123.8	56%	0.559	57%	0.57	S	S	*	*	H	α-helix	trans	-67.9	-43.6	177.4	-66.7	165.2	0	0	0	110	R9 I10 W11 F16 V17	R9-I13 WeakPolarHBondContact O-CG1 3.45Å; R9-I13 PolarHBondContact O-N 3.07Å; I10-I13 PolarHBondContact O-N 2.86Å; W11-I13 PolarHBondContact O-N 3.1Å; I13-F16 PolarHBondContact O-N 3.36Å; I13-V17 HydrophobicContact CG2-CG2 4.43Å; I13-V17 VanDerWaalsContact O-CG2 3.31Å; I13-V17 WeakPolarHBondContact O-CG2 3.13Å; I13-V17 PolarHBondContact O-N 2.91Å
14	L	85.3	Confident	77.3	Confident	111 Å²	111	122.2 Å²	122.2	58%	0.581	56%	0.559	S	S	*	*	H	α-helix	trans	-64.5	-41.7	179	-73.7	169.4	0	0	0	112.1	I10 W11 A18	I10-L14 HydrophobicContact CG2-CD1 3.7Å; I10-L14 HydrophobicContact CG2-CG 4.29Å; I10-L14 WeakPolarHBondContact O-CB 3.46Å; I10-L14 WeakPolarHBondContact O-CG 3.17Å; I10-L14 PolarHBondContact O-N 2.96Å; W11-L14 PolarHBondContact O-N 2.79Å; L14-A18 VanDerWaalsContact O-CB 3.3Å; L14-A18 WeakPolarHBondContact O-CB 3.22Å; L14-A18 PolarHBondContact O-N 3.37Å
15	T	83.5	Confident	77.1	Confident	47 Å²	47	116.3 Å²	116.3	29%	0.288	55%	0.546	S	S	.	.	H	α-helix	trans	-67.5	-39.7	176	48.5	0	0	0	0	111.9	W11 F12 A18 C19	W11-T15 HydrophobicContact CD2-CG2 4.21Å; W11-T15 HydrophobicContact CE3-CG2 4.44Å; W11-T15 HydrophobicContact CH2-CG2 4.3Å; W11-T15 HydrophobicContact CZ2-CG2 4.04Å; W11-T15 HydrophobicContact CZ3-CG2 4.48Å; W11-T15 WeakPolarHBondContact O-CG2 3.43Å; W11-T15 PolarHBondContact O-N 3.08Å; W11-T15 PolarHBondContact O-OG1 3.05Å; F12-T15 WeakPolarHBondContact CA-OG1 3.48Å; F12-T15 PolarHBondContact O-OG1 3.27Å; F12-T15 VanDerWaalsContact O-OG1 3.06Å; T15-A18 PolarHBondContact O-N 3.46Å; T15-C19 WeakPolarHBondContact O-CB 3.32Å; T15-C19 PolarHBondContact O-N 3.49Å; T15-C19 PolarHBondContact O-SG 3.15Å; T15-C19 VanDerWaalsContact O-SG 3.4Å
16	F	85.2	Confident	76.3	Confident	138 Å²	138	112.1 Å²	112.1	61%	0.605	54%	0.535	S	S	*	.	H	α-helix	trans	-63.5	-44.4	176.1	-174.6	-103.6	0	0	0	112.3	F12 I13 C19 L20	F12-F16 VanDerWaalsContact O-CB 3.28Å; F12-F16 WeakPolarHBondContact O-CB 3.19Å; F12-F16 PolarHBondContact O-N 3.29Å; I13-F16 PolarHBondContact O-N 3.36Å; F16-C19 PolarHBondContact O-N 3.14Å; F16-L20 HydrophobicContact CD1-CD1 3.8Å; F16-L20 HydrophobicContact CE1-CD1 3.34Å; F16-L20 HydrophobicContact CE1-CG 4.23Å; F16-L20 HydrophobicContact CZ-CD1 3.85Å; F16-L20 HydrophobicContact CZ-CG 4.35Å; F16-L20 PolarHBondContact O-N 2.98Å
17	V	83.6	Confident	75.7	Confident	77 Å²	77	109.4 Å²	109.4	47%	0.467	53%	0.53	S	S	.	.	H	α-helix	trans	-64	-42.9	175.1	172.8	0	0	0	0	110.9	I13 C19 L20 T21	I13-V17 HydrophobicContact CG2-CG2 4.43Å; I13-V17 VanDerWaalsContact O-CG2 3.31Å; I13-V17 WeakPolarHBondContact O-CG2 3.13Å; I13-V17 PolarHBondContact O-N 2.91Å; V17-C19 PolarHBondContact O-N 3.14Å; V17-L20 PolarHBondContact O-N 3.03Å; V17-T21 HydrophobicContact CG1-CG2 4.48Å; V17-T21 WeakPolarHBondContact O-CG2 3.49Å; V17-T21 PolarHBondContact O-N 2.89Å; V17-T21 PolarHBondContact O-OG1 3.19Å
18	A	81.6	Confident	74.6	Confident	43 Å²	43	105.7 Å²	105.7	36%	0.355	52%	0.517	S	S	.	.	H	α-helix	trans	-60.6	-44.7	176.4	0	0	0	0	0	112	L14 T15 T21 L22	L14-A18 VanDerWaalsContact O-CB 3.3Å; L14-A18 WeakPolarHBondContact O-CB 3.22Å; L14-A18 PolarHBondContact O-N 3.37Å; T15-A18 PolarHBondContact O-N 3.46Å; A18-T21 WeakPolarHBondContact CA-OG1 3.34Å; A18-T21 PolarHBondContact O-N 3.47Å; A18-T21 PolarHBondContact O-OG1 3.04Å; A18-L22 WeakPolarHBondContact O-CB 3.07Å; A18-L22 WeakPolarHBondContact O-CG 3.16Å; A18-L22 PolarHBondContact O-N 2.75Å
19	C	79.1	Confident	73.6	Confident	72 Å²	72	100.7 Å²	100.7	49%	0.486	51%	0.507	S	S	.	.	H	α-helix	trans	-61.7	-44.4	175.1	-75	0	0	0	0	112.2	T15 F16 V17 T21 L22 I23	T15-C19 WeakPolarHBondContact O-CB 3.32Å; T15-C19 PolarHBondContact O-N 3.49Å; T15-C19 PolarHBondContact O-SG 3.15Å; T15-C19 VanDerWaalsContact O-SG 3.4Å; F16-C19 PolarHBondContact O-N 3.14Å; V17-C19 PolarHBondContact O-N 3.14Å; C19-T21 VanDerWaalsContact C-N 3.33Å; C19-T21 PolarHBondContact O-N 3.45Å; C19-L22 PolarHBondContact O-N 3.5Å; C19-I23 VanDerWaalsContact O-CG1 3.31Å; C19-I23 WeakPolarHBondContact O-CG1 3.22Å; C19-I23 PolarHBondContact O-N 3.12Å; C19-I23 VanDerWaalsContact O-N 3.09Å
20	L	75.4	Confident	72.2	Confident	74 Å²	74	93.4 Å²	93.4	39%	0.387	49%	0.49	S	S	.	.	H	α-helix	trans	-60.7	-43	175.9	-79.8	172.2	0	0	0	111.6	F16 V17 L22 I23 W24	F16-L20 HydrophobicContact CD1-CD1 3.8Å; F16-L20 HydrophobicContact CE1-CD1 3.34Å; F16-L20 HydrophobicContact CE1-CG 4.23Å; F16-L20 HydrophobicContact CZ-CD1 3.85Å; F16-L20 HydrophobicContact CZ-CG 4.35Å; F16-L20 PolarHBondContact O-N 2.98Å; V17-L20 PolarHBondContact O-N 3.03Å; L20-L22 PolarHBondContact O-N 3.32Å; L20-I23 PolarHBondContact O-N 2.82Å; L20-W24 WeakPolarHBondContact O-CB 3.39Å; L20-W24 PolarHBondContact O-N 2.58Å
21	T	72.7	Confident	70.7	Confident	71 Å²	71	95.1 Å²	95.1	44%	0.436	50%	0.503	S	S	.	.	H	α-helix	trans	-65.6	-38	176.9	54.4	0	0	0	0	112.6	V17 A18 C19 I23 V25	V17-T21 HydrophobicContact CG1-CG2 4.48Å; V17-T21 WeakPolarHBondContact O-CG2 3.49Å; V17-T21 PolarHBondContact O-N 2.89Å; V17-T21 PolarHBondContact O-OG1 3.19Å; A18-T21 WeakPolarHBondContact CA-OG1 3.34Å; A18-T21 PolarHBondContact O-N 3.47Å; A18-T21 PolarHBondContact O-OG1 3.04Å; C19-T21 VanDerWaalsContact C-N 3.33Å; C19-T21 PolarHBondContact O-N 3.45Å; T21-I23 VanDerWaalsContact C-N 3.3Å; T21-I23 PolarHBondContact O-N 3.1Å; T21-V25 WeakPolarHBondContact O-CB 3.49Å; T21-V25 WeakPolarHBondContact O-CG2 3.3Å; T21-V25 PolarHBondContact O-N 2.92Å
22	L	72.1	Confident	69	Low	129 Å²	129	94.2 Å²	94.2	68%	0.675	50%	0.504	S	S	*	.	H	α-helix	trans	-70.2	-25.4	178.8	-74	169.2	0	0	0	113.2	A18 C19 L20 P26	A18-L22 WeakPolarHBondContact O-CB 3.07Å; A18-L22 WeakPolarHBondContact O-CG 3.16Å; A18-L22 PolarHBondContact O-N 2.75Å; C19-L22 PolarHBondContact O-N 3.5Å; L20-L22 PolarHBondContact O-N 3.32Å; L22-P26 WeakPolarHBondContact O-CD 3.38Å; L22-P26 WeakPolarHBondContact O-CG 3.31Å
23	I	72.6	Confident	67.3	Low	103 Å²	103	94.3 Å²	94.3	53%	0.528	51%	0.506	S	S	.	.	H	α-helix	trans	-87.1	-47.5	177.2	-63.5	165.2	0	0	0	110.6	C19 L20 T21 P26	C19-I23 VanDerWaalsContact O-CG1 3.31Å; C19-I23 WeakPolarHBondContact O-CG1 3.22Å; C19-I23 PolarHBondContact O-N 3.12Å; C19-I23 VanDerWaalsContact O-N 3.09Å; L20-I23 PolarHBondContact O-N 2.82Å; T21-I23 VanDerWaalsContact C-N 3.3Å; T21-I23 PolarHBondContact O-N 3.1Å; I23-P26 WeakPolarHBondContact O-CD 3.17Å
24	W	56.8	Low	65.3	Low	153 Å²	153	94.3 Å²	94.3	58%	0.58	51%	0.506	S	S	*	.	H	α-helix	trans	-77.9	-32.3	-173	-85.8	60.9	0	0	0	113.7	L20 E27 L28	L20-W24 WeakPolarHBondContact O-CB 3.39Å; L20-W24 PolarHBondContact O-N 2.58Å; W24-E27 PolarHBondContact O-N 3Å; W24-L28 HydrophobicContact CE3-CD1 3.92Å; W24-L28 WeakPolarHBondContact O-CB 3.34Å; W24-L28 PolarHBondContact O-N 3.32Å
25	V	64.8	Low	63.4	Low	83 Å²	83	93.8 Å²	93.8	50%	0.503	50%	0.501	S	S	.	.	H	α-helix	trans	-64.9	-46.7	-178.7	173.6	0	0	0	0	111.2	T21 E27 L28 T29	T21-V25 WeakPolarHBondContact O-CB 3.49Å; T21-V25 WeakPolarHBondContact O-CG2 3.3Å; T21-V25 PolarHBondContact O-N 2.92Å; V25-E27 PolarHBondContact O-N 2.98Å; V25-L28 PolarHBondContact O-N 3.06Å; V25-T29 HydrophobicContact CG1-CG2 4.28Å; V25-T29 VanDerWaalsContact O-CG2 3.3Å; V25-T29 WeakPolarHBondContact O-CG2 3.46Å; V25-T29 PolarHBondContact O-N 3.43Å; V25-T29 PolarHBondContact O-OG1 3.05Å; V25-T29 VanDerWaalsContact O-OG1 3.12Å
26	P	52.7	Low	61.5	Low	71 Å²	71	94.7 Å²	94.7	46%	0.461	51%	0.509	S	S	.	.	H	α-helix	trans	-57.8	-45.9	173.1	-27.3	36.6	0	0	0	113.4	L22 I23 L28 T29 G30	L22-P26 WeakPolarHBondContact O-CD 3.38Å; L22-P26 WeakPolarHBondContact O-CG 3.31Å; I23-P26 WeakPolarHBondContact O-CD 3.17Å; P26-L28 PolarHBondContact O-N 2.66Å; P26-T29 VanDerWaalsContact CA-OG1 3.27Å; P26-T29 WeakPolarHBondContact CA-OG1 3.45Å; P26-T29 PolarHBondContact O-N 3.14Å; P26-T29 PolarHBondContact O-OG1 3.21Å; P26-G30 PolarHBondContact O-N 3.26Å
27	E	58.6	Low	59.5	Low	125 Å²	125	93.5 Å²	93.5	58%	0.584	51%	0.507	S	S	*	.	H	α-helix	trans	-60.8	-45	177.3	-81.1	-176	158.2	0	0	111.9	W24 V25 T29 G30 V31	W24-E27 PolarHBondContact O-N 3Å; V25-E27 PolarHBondContact O-N 2.98Å; E27-T29 PolarHBondContact O-N 2.83Å; E27-G30 PolarHBondContact O-N 3.29Å; E27-V31 VanDerWaalsContact O-CG2 3.32Å; E27-V31 WeakPolarHBondContact O-CG2 3.47Å; E27-V31 PolarHBondContact O-N 3.27Å
28	L	52.5	Low	57.5	Low	85 Å²	85	92.7 Å²	92.7	45%	0.445	50%	0.502	S	S	.	.	H	α-helix	trans	-64.6	-38.1	175.4	-103.9	123.5	0	0	0	112.4	W24 V25 P26 K32	W24-L28 HydrophobicContact CE3-CD1 3.92Å; W24-L28 WeakPolarHBondContact O-CB 3.34Å; W24-L28 PolarHBondContact O-N 3.32Å; V25-L28 PolarHBondContact O-N 3.06Å; P26-L28 PolarHBondContact O-N 2.66Å; L28-K32 VanDerWaalsContact O-CB 3.3Å; L28-K32 WeakPolarHBondContact O-CB 3.35Å; L28-K32 VanDerWaalsContact O-CG 3.3Å; L28-K32 WeakPolarHBondContact O-CG 3.26Å; L28-K32 PolarHBondContact O-N 3.17Å
29	T	54	Low	55.4	Low	75 Å²	75	94.4 Å²	94.4	46%	0.46	51%	0.505	S	S	.	.	H	α-helix	trans	-69.3	-37.2	176.1	55.8	0	0	0	0	112.1	V25 P26 E27 K32 Q33	V25-T29 HydrophobicContact CG1-CG2 4.28Å; V25-T29 VanDerWaalsContact O-CG2 3.3Å; V25-T29 WeakPolarHBondContact O-CG2 3.46Å; V25-T29 PolarHBondContact O-N 3.43Å; V25-T29 PolarHBondContact O-OG1 3.05Å; V25-T29 VanDerWaalsContact O-OG1 3.12Å; P26-T29 VanDerWaalsContact CA-OG1 3.27Å; P26-T29 WeakPolarHBondContact CA-OG1 3.45Å; P26-T29 PolarHBondContact O-N 3.14Å; P26-T29 PolarHBondContact O-OG1 3.21Å; E27-T29 PolarHBondContact O-N 2.83Å; T29-K32 PolarHBondContact O-N 2.93Å; T29-Q33 WeakPolarHBondContact O-CB 3.49Å; T29-Q33 PolarHBondContact O-N 3.47Å
30	G	49.9	Very low	53.4	Low	35 Å²	35	94.7 Å²	94.7	36%	0.361	51%	0.508	S	S	.	.	H	α-helix	trans	-65.5	-45.8	175.1	0	0	0	0	0	111.8	P26 E27 Q33 L34	P26-G30 PolarHBondContact O-N 3.26Å; E27-G30 PolarHBondContact O-N 3.29Å; G30-Q33 PolarHBondContact O-N 3.28Å; G30-L34 WeakPolarHBondContact O-CB 3.49Å; G30-L34 PolarHBondContact O-N 3.45Å
31	V	52.7	Low	52	Low	100 Å²	100	97.8 Å²	97.8	61%	0.606	52%	0.519	S	S	*	.	H	α-helix	trans	-63.8	-41.8	174.5	173.6	0	0	0	0	111.2	E27 L34 Q35	E27-V31 VanDerWaalsContact O-CG2 3.32Å; E27-V31 WeakPolarHBondContact O-CG2 3.47Å; E27-V31 PolarHBondContact O-N 3.27Å; V31-L34 PolarHBondContact O-N 2.99Å; V31-Q35 VanDerWaalsContact O-CB 3.24Å; V31-Q35 WeakPolarHBondContact O-CB 3.4Å; V31-Q35 PolarHBondContact O-N 2.89Å
32	K	46.9	Very low	50.4	Low	146 Å²	146	101 Å²	101	64%	0.635	53%	0.528	S	S	*	.	H	α-helix	trans	-66.7	-37	175.3	-78.8	-179	178.6	-179	0	112.8	L28 T29 S36	L28-K32 VanDerWaalsContact O-CB 3.3Å; L28-K32 WeakPolarHBondContact O-CB 3.35Å; L28-K32 VanDerWaalsContact O-CG 3.3Å; L28-K32 WeakPolarHBondContact O-CG 3.26Å; L28-K32 PolarHBondContact O-N 3.17Å; T29-K32 PolarHBondContact O-N 2.93Å; K32-S36 VanDerWaalsContact O-CB 3.24Å; K32-S36 WeakPolarHBondContact O-CB 3.39Å; K32-S36 PolarHBondContact O-N 3.35Å; K32-S36 PolarHBondContact O-OG 2.84Å
33	Q	46.5	Very low	48.3	Very low	134 Å²	134	99.7 Å²	99.7	63%	0.626	52%	0.522	S	S	*	.	H	α-helix	trans	-66	-45.8	174.3	-95.3	-177.6	-18.1	0	0	111	T29 G30 S36 M37	T29-Q33 WeakPolarHBondContact O-CB 3.49Å; T29-Q33 PolarHBondContact O-N 3.47Å; G30-Q33 PolarHBondContact O-N 3.28Å; Q33-S36 PolarHBondContact O-N 3.13Å; Q33-S36 PolarHBondContact O-OG 3.37Å; Q33-S36 VanDerWaalsContact O-OG 3.05Å; Q33-M37 WeakPolarHBondContact O-CB 3.48Å; Q33-M37 WeakPolarHBondContact O-CG 3.04Å; Q33-M37 PolarHBondContact O-N 3.2Å
34	L	45.1	Very low	46.5	Very low	108 Å²	108	99.9 Å²	99.9	57%	0.565	53%	0.53	S	S	*	.	H	α-helix	trans	-61.1	-47.5	176.8	-159.4	79.8	0	0	0	110.8	G30 V31 S36 M37 V38	G30-L34 WeakPolarHBondContact O-CB 3.49Å; G30-L34 PolarHBondContact O-N 3.45Å; V31-L34 PolarHBondContact O-N 2.99Å; L34-S36 PolarHBondContact O-N 3.22Å; L34-M37 PolarHBondContact O-N 2.56Å; L34-V38 WeakPolarHBondContact O-CB 3.35Å; L34-V38 VanDerWaalsContact O-CG2 3.25Å; L34-V38 WeakPolarHBondContact O-CG2 3.41Å; L34-V38 PolarHBondContact O-N 3.3Å
35	Q	44.8	Very low	45.3	Very low	100 Å²	100	103.3 Å²	103.3	47%	0.467	54%	0.543	S	S	.	.	H	α-helix	trans	-63	-42.4	175.8	-169.8	64.3	39.4	0	0	111.4	V31 M37 V38 D39	V31-Q35 VanDerWaalsContact O-CB 3.24Å; V31-Q35 WeakPolarHBondContact O-CB 3.4Å; V31-Q35 PolarHBondContact O-N 2.89Å; Q35-M37 VanDerWaalsContact C-N 3.33Å; Q35-M37 PolarHBondContact O-N 2.69Å; Q35-V38 CarbonylContact O-C 3.54Å; Q35-V38 PolarHBondContact O-N 2.84Å; Q35-D39 PolarHBondContact NE2-OD1 3.48Å; Q35-D39 VanDerWaalsContact O-CB 3.24Å; Q35-D39 WeakPolarHBondContact O-CB 3.38Å; Q35-D39 PolarHBondContact O-N 3.17Å
36	S	43.2	Very low	43.6	Very low	66 Å²	66	103 Å²	103	46%	0.462	56%	0.557	S	S	.	*	H	α-helix	trans	-67.5	-33.1	177.1	86	0	0	0	0	112.5	K32 Q33 L34 S40	K32-S36 VanDerWaalsContact O-CB 3.24Å; K32-S36 WeakPolarHBondContact O-CB 3.39Å; K32-S36 PolarHBondContact O-N 3.35Å; K32-S36 PolarHBondContact O-OG 2.84Å; Q33-S36 PolarHBondContact O-N 3.13Å; Q33-S36 PolarHBondContact O-OG 3.37Å; Q33-S36 VanDerWaalsContact O-OG 3.05Å; L34-S36 PolarHBondContact O-N 3.22Å; S36-S40 VanDerWaalsContact O-CB 3.24Å; S36-S40 WeakPolarHBondContact O-CB 3.27Å; S36-S40 PolarHBondContact O-N 2.78Å
37	M	44	Very low	42.5	Very low	114 Å²	114	103.8 Å²	103.8	56%	0.562	57%	0.569	S	S	*	*	H	α-helix	trans	-64.1	-52.5	172.4	-80.8	-172	176.5	0	0	109.2	Q33 L34 Q35 D39 S40 F41	Q33-M37 WeakPolarHBondContact O-CB 3.48Å; Q33-M37 WeakPolarHBondContact O-CG 3.04Å; Q33-M37 PolarHBondContact O-N 3.2Å; L34-M37 PolarHBondContact O-N 2.56Å; Q35-M37 VanDerWaalsContact C-N 3.33Å; Q35-M37 PolarHBondContact O-N 2.69Å; M37-D39 VanDerWaalsContact C-N 3.33Å; M37-D39 PolarHBondContact O-N 3.33Å; M37-S40 PolarHBondContact O-N 2.9Å; M37-S40 VanDerWaalsContact O-N 3.15Å; M37-S40 PolarHBondContact O-OG 3.41Å; M37-F41 WeakPolarHBondContact O-CD2 3.09Å; M37-F41 PolarHBondContact O-N 3.19Å; M37-F41 VanDerWaalsContact O-N 3.1Å
38	V	41.7	Very low	41.1	Very low	60 Å²	60	103.4 Å²	103.4	36%	0.364	58%	0.578	S	S	.	*	H	α-helix	trans	-55.7	-45.4	176	172.7	0	0	0	0	111.3	L34 Q35 F41 H42	L34-V38 WeakPolarHBondContact O-CB 3.35Å; L34-V38 VanDerWaalsContact O-CG2 3.25Å; L34-V38 WeakPolarHBondContact O-CG2 3.41Å; L34-V38 PolarHBondContact O-N 3.3Å; Q35-V38 CarbonylContact O-C 3.54Å; Q35-V38 PolarHBondContact O-N 2.84Å; V38-F41 WeakPolarHBondContact O-CB 3.35Å; V38-F41 PolarHBondContact O-N 2.99Å; V38-H42 PolarHBondContact O-N 3.45Å; V38-H42 PolarHBondContact O-ND1 3.41Å
39	D	37.9	Very low	39.8	Very low	78 Å²	78	111.5 Å²	111.5	42%	0.417	60%	0.602	S	S	.	*	H	α-helix	trans	-69.5	-34.5	179	-69.4	-17.1	0	0	0	111.8	Q35 M37 F41 H42 N43	Q35-D39 PolarHBondContact NE2-OD1 3.48Å; Q35-D39 VanDerWaalsContact O-CB 3.24Å; Q35-D39 WeakPolarHBondContact O-CB 3.38Å; Q35-D39 PolarHBondContact O-N 3.17Å; M37-D39 VanDerWaalsContact C-N 3.33Å; M37-D39 PolarHBondContact O-N 3.33Å; D39-F41 PolarHBondContact O-N 2.99Å; D39-H42 PolarHBondContact O-N 3.48Å; D39-H42 VanDerWaalsContact O-N 3.11Å; D39-N43 PolarHBondContact O-N 3.26Å
40	S	37.4	Very low	38.6	Very low	78 Å²	78	117.1 Å²	117.1	55%	0.545	62%	0.62	S	S	.	*	H	α-helix	trans	-65.9	-29.7	174.2	86.4	0	0	0	0	112.1	S36 M37	S36-S40 VanDerWaalsContact O-CB 3.24Å; S36-S40 WeakPolarHBondContact O-CB 3.27Å; S36-S40 PolarHBondContact O-N 2.78Å; M37-S40 PolarHBondContact O-N 2.9Å; M37-S40 VanDerWaalsContact O-N 3.15Å; M37-S40 PolarHBondContact O-OG 3.41Å
41	F	45.1	Very low	37.7	Very low	139 Å²	139	127.5 Å²	127.5	61%	0.61	65%	0.648	S	S	*	*	H	α-helix	trans	-72.2	-32.2	172	-72	-69.1	0	0	0	112.2	M37 V38 D39	M37-F41 WeakPolarHBondContact O-CD2 3.09Å; M37-F41 PolarHBondContact O-N 3.19Å; M37-F41 VanDerWaalsContact O-N 3.1Å; V38-F41 WeakPolarHBondContact O-CB 3.35Å; V38-F41 PolarHBondContact O-N 2.99Å; D39-F41 PolarHBondContact O-N 2.99Å
42	H	38.5	Very low	36.5	Very low	138 Å²	138	125.9 Å²	125.9	64%	0.639	65%	0.652	S	S	*	*	H	α-helix	trans	-100.4	-24.9	-171.5	-70.6	77	0	0	0	114.6	V38 D39	V38-H42 PolarHBondContact O-N 3.45Å; V38-H42 PolarHBondContact O-ND1 3.41Å; D39-H42 PolarHBondContact O-N 3.48Å; D39-H42 VanDerWaalsContact O-N 3.11Å
43	N	29	Very low	35.5	Very low	102 Å²	102	124.9 Å²	124.9	55%	0.545	65%	0.651	S	S	.	*			trans	-148.7	87.3	-174	-157.6	6.3	0	0	0	113	D39 R45	D39-N43 PolarHBondContact O-N 3.26Å; N43-R45 PolarHBondContact O-N 3.03Å
44	P	34.9	Very low	34.6	Very low	108 Å²	108	129.5 Å²	129.5	70%	0.701	66%	0.662	S	S	*	*			trans	-81.1	66.1	178.3	34.4	-33.5	0	0	0	110.2
45	R	31.5	Very low	34	Very low	225 Å²	225	129.6 Å²	129.6	85%	0.849	66%	0.661	S	S	*	*			trans	-112.4	80.4	163.6	-70.8	-172.2	-173.4	-177.3	2.9	107.8	N43	N43-R45 PolarHBondContact O-N 3.03Å
46	G	28.6	Very low	33.4	Very low	76 Å²	76	128 Å²	128	78%	0.784	65%	0.654	S	S	*	*	S	Bend	trans	172	-22.6	174.5	0	0	0	0	0	117.2
47	A	30.6	Very low	33.3	Very low	87 Å²	87	127 Å²	127	72%	0.719	65%	0.645	S	S	*	*	S	Bend	trans	-87.8	136	176.4	0	0	0	0	0	111.3
48	P	28.1	Very low	33.1	Very low	118 Å²	118	123.1 Å²	123.1	77%	0.766	63%	0.626	S	S	*	*			trans	-60.7	140.5	-179.2	25.6	-33.8	0	0	0	110.7	K50	P48-K50 VanDerWaalsContact C-N 3.28Å; P48-K50 PolarHBondContact O-N 2.97Å
49	R	26.2	Very low	33.1	Very low	255 Å²	255	121.4 Å²	121.4	96%	0.962	62%	0.616	S	S	*	*			trans	-55.5	76.8	-177.3	-74.2	176.2	163.8	172.2	-4.7	112.7	R51	R49-R51 PolarHBondContact O-N 3.15Å
50	K	29.3	Very low	33.1	Very low	192 Å²	192	118.6 Å²	118.6	84%	0.835	61%	0.605	S	S	*	*			trans	-69.5	123.4	151.6	-74.7	-171.8	177.3	-178.4	0	106	P48 G52	P48-K50 VanDerWaalsContact C-N 3.28Å; P48-K50 PolarHBondContact O-N 2.97Å; K50-G52 VanDerWaalsContact O-CA 3.32Å; K50-G52 WeakPolarHBondContact O-CA 3.39Å; K50-G52 PolarHBondContact O-N 3.43Å
51	R	29.1	Very low	33.1	Very low	254 Å²	254	119 Å²	119	96%	0.958	60%	0.598	S	S	*	*			trans	-41.4	103.1	173.2	-101.4	176.3	165.9	170.1	-4.7	107.9	R49 M53	R49-R51 PolarHBondContact O-N 3.15Å; R51-M53 PolarHBondContact O-N 3.29Å; R51-M53 VanDerWaalsContact O-N 3.15Å
52	G	28.9	Very low	32.8	Very low	65 Å²	65	115.2 Å²	115.2	67%	0.67	58%	0.581	S	S	*	*			trans	-65.4	116	-158.4	0	0	0	0	0	111	K50 R54	K50-G52 VanDerWaalsContact O-CA 3.32Å; K50-G52 WeakPolarHBondContact O-CA 3.39Å; K50-G52 PolarHBondContact O-N 3.43Å; G52-R54 PolarHBondContact O-N 3.06Å
53	M	26.1	Very low	32.7	Very low	126 Å²	126	114.3 Å²	114.3	62%	0.621	58%	0.581	S	S	*	*			trans	-57.7	98.1	151.4	-155.6	174.1	175.6	0	0	104.8	R51 M55	R51-M53 PolarHBondContact O-N 3.29Å; R51-M53 VanDerWaalsContact O-N 3.15Å; M53-M55 VanDerWaalsContact C-N 3.3Å; M53-M55 PolarHBondContact O-N 3.11Å
54	R	27.7	Very low	33.4	Very low	230 Å²	230	109.8 Å²	109.8	87%	0.868	56%	0.559	S	S	*	*			trans	-62.2	98.5	173.5	-93.7	-178.1	172.5	173.6	-2.8	105.9	G52 E56 Q282	G52-R54 PolarHBondContact O-N 3.06Å; R54-E56 PolarHBondContact O-N 3.42Å; R54-Q282 PolarHBondContact O-NE2 3.31Å
55	M	31.3	Very low	33.6	Very low	110 Å²	110	107.3 Å²	107.3	54%	0.542	54%	0.543	S	S	.	.			trans	-66	101.1	167.3	-73.6	-81.7	-71.2	0	0	106.5	M53 V57	M53-M55 VanDerWaalsContact C-N 3.3Å; M53-M55 PolarHBondContact O-N 3.11Å; M55-V57 PolarHBondContact O-N 2.9Å
56	E	33.3	Very low	34.2	Very low	67 Å²	67	98 Å²	98	31%	0.313	51%	0.509	S	S	.	.			trans	-80.9	96	173.2	-160.4	179.1	-177.5	0	0	106.7	R54 I58 N275	R54-E56 PolarHBondContact O-N 3.42Å; E56-I58 HydrophobicContact CB-CG1 4.2Å; E56-I58 HydrophobicContact CG-CD1 4.14Å; E56-I58 HydrophobicContact CG-CG1 3.59Å; E56-I58 PolarHBondContact O-N 2.58Å; E56-N275 PolarHBondContact OE2-ND2 3.33Å
57	V	40	Very low	34.9	Very low	45 Å²	45	99.3 Å²	99.3	27%	0.273	50%	0.504	S	S	.	.			trans	-70.6	82.5	169.7	-176.8	0	0	0	0	107.1	M55 V59 I285 F288 R495	M55-V57 PolarHBondContact O-N 2.9Å; V57-V59 HydrophobicContact CG1-CG2 4.1Å; V57-V59 PolarHBondContact O-N 3.43Å; V57-I285 HydrophobicContact CB-CD1 4.3Å; V57-I285 HydrophobicContact CG1-CD1 3.4Å; V57-I285 HydrophobicContact CG1-CG1 4.3Å; V57-I285 HydrophobicContact CG2-CD1 3.87Å; V57-F288 HydrophobicContact CG1-CE2 4.48Å; V57-R495 VanDerWaalsContact C-NH2 3.32Å; V57-R495 VanDerWaalsContact N-NH2 3.15Å; V57-R495 PolarHBondContact O-NH2 2.91Å
58	I	40.5	Very low	35.7	Very low	32 Å²	32	102.9 Å²	102.9	16%	0.164	51%	0.506	C	S	.	.			trans	-76.3	88.6	170.4	-53.2	-179.5	0	0	0	106	E56 G60 V273 F379	E56-I58 HydrophobicContact CB-CG1 4.2Å; E56-I58 HydrophobicContact CG-CD1 4.14Å; E56-I58 HydrophobicContact CG-CG1 3.59Å; E56-I58 PolarHBondContact O-N 2.58Å; I58-G60 PolarHBondContact O-N 3.27Å; I58-G60 VanDerWaalsContact O-N 3.16Å; I58-V273 HydrophobicContact CB-CG1 4.27Å; I58-V273 HydrophobicContact CB-CG2 4.34Å; I58-V273 HydrophobicContact CD1-CG1 3.79Å; I58-V273 HydrophobicContact CG1-CG1 4.09Å; I58-F379 HydrophobicContact CB-CD2 4.38Å; I58-F379 HydrophobicContact CG2-CB 3.64Å; I58-F379 HydrophobicContact CG2-CD2 4.27Å; I58-F379 HydrophobicContact CG2-CG 4.03Å
59	V	41.6	Very low	36.2	Very low	25 Å²	25	107 Å²	107	15%	0.152	51%	0.512	C	S	.	.			trans	-60.9	113	154.2	172.9	0	0	0	0	103.8	V57 H61 F288 W300	V57-V59 HydrophobicContact CG1-CG2 4.1Å; V57-V59 PolarHBondContact O-N 3.43Å; V59-H61 VanDerWaalsContact C-N 3.26Å; V59-H61 PolarHBondContact O-CD2 2.61Å; V59-H61 PolarHBondContact O-N 2.81Å; V59-F288 HydrophobicContact CG2-CE2 4.36Å; V59-W300 HydrophobicContact CG1-CB 3.97Å; V59-W300 HydrophobicContact CG1-CG 4.24Å; V59-W300 HydrophobicContact CG2-CB 4.39Å
60	G	38.7	Very low	37.3	Very low	18 Å²	18	97.3 Å²	97.3	19%	0.186	48%	0.483	C	S	.	.			trans	-55.5	92.1	176.8	0	0	0	0	0	109.9	I58 F62	I58-G60 PolarHBondContact O-N 3.27Å; I58-G60 VanDerWaalsContact O-N 3.16Å; G60-F62 PolarHBondContact O-N 3.47Å
61	H	37	Very low	38.3	Very low	86 Å²	86	92.9 Å²	92.9	40%	0.398	48%	0.477	S	S	.	.			trans	-87	107.3	173.9	-71.6	-73.1	0	0	0	106.7	V59 N63	V59-H61 VanDerWaalsContact C-N 3.26Å; V59-H61 PolarHBondContact O-CD2 2.61Å; V59-H61 PolarHBondContact O-N 2.81Å; H61-N63 PolarHBondContact O-N 3.46Å
62	F	37.7	Very low	40	Very low	60 Å²	60	85 Å²	85	26%	0.263	47%	0.465	S	S	.	.			trans	-74.8	104.2	156.7	-174.1	-101.1	0	0	0	107.7	G60 G64 W349 L396	G60-F62 PolarHBondContact O-N 3.47Å; F62-G64 WeakPolarHBondContact CE1-O 3.35Å; F62-G64 VanDerWaalsContact CZ-O 3.29Å; F62-G64 WeakPolarHBondContact CZ-O 3.35Å; F62-G64 PolarHBondContact O-N 3.41Å; F62-W349 HydrophobicContact CB-CH2 4.21Å; F62-W349 AromaticContact CD1-CH2 3.74Å; F62-W349 HydrophobicContact CD1-CH2 3.74Å; F62-W349 HydrophobicContact CD1-CZ3 4.04Å; F62-W349 AromaticContact CD2-CH2 3.16Å; F62-W349 HydrophobicContact CD2-CH2 3.16Å; F62-W349 AromaticContact CD2-CZ2 4Å; F62-W349 HydrophobicContact CD2-CZ2 4Å; F62-W349 AromaticContact CD2-CZ3 3.71Å; F62-W349 HydrophobicContact CD2-CZ3 3.71Å; F62-W349 AromaticContact CE1-CH2 3.84Å; F62-W349 HydrophobicContact CE1-CH2 3.84Å; F62-W349 AromaticContact CE1-CZ3 3.63Å; F62-W349 HydrophobicContact CE1-CZ3 3.63Å; F62-W349 HydrophobicContact CE2-CE3 4.27Å; F62-W349 AromaticContact CE2-CH2 3.27Å; F62-W349 HydrophobicContact CE2-CH2 3.27Å; F62-W349 HydrophobicContact CE2-CZ2 4.27Å; F62-W349 AromaticContact CE2-CZ3 3.26Å; F62-W349 HydrophobicContact CE2-CZ3 3.26Å; F62-W349 AromaticContact CG-CH2 3.41Å; F62-W349 HydrophobicContact CG-CH2 3.41Å; F62-W349 VanDerWaalsContact CG-CH2 3.41Å; F62-W349 HydrophobicContact CG-CZ2 4.38Å; F62-W349 HydrophobicContact CG-CZ3 4.08Å; F62-W349 HydrophobicContact CZ-CE3 4.3Å; F62-W349 AromaticContact CZ-CH2 3.63Å; F62-W349 HydrophobicContact CZ-CH2 3.63Å; F62-W349 AromaticContact CZ-CZ3 3.23Å; F62-W349 HydrophobicContact CZ-CZ3 3.23Å; F62-L396 HydrophobicContact CE1-CD2 3.7Å; F62-L396 HydrophobicContact CZ-CD2 4.44Å
63	N	36	Very low	42.3	Very low	120 Å²	120	84.3 Å²	84.3	64%	0.642	45%	0.448	S	S	*	.			trans	-79.7	60.1	-179.3	-72.4	-23.1	0	0	0	111.4	H61	H61-N63 PolarHBondContact O-N 3.46Å
64	G	44.8	Very low	45.1	Very low	7 Å²	7	85.8 Å²	85.8	7%	0.072	46%	0.458	C	S	.	.	S	Bend	trans	55.3	-165.7	170.7	0	0	0	0	0	115.3	F62 I66	F62-G64 WeakPolarHBondContact CE1-O 3.35Å; F62-G64 VanDerWaalsContact CZ-O 3.29Å; F62-G64 WeakPolarHBondContact CZ-O 3.35Å; F62-G64 PolarHBondContact O-N 3.41Å; G64-I66 PolarHBondContact O-N 2.79Å
65	P	38	Very low	48	Very low	55 Å²	55	76.3 Å²	76.3	36%	0.357	42%	0.423	S	S	.	.	S	Bend	trans	-60.6	127.9	177.8	22	-29.5	0	0	0	110.9
66	I	44.3	Very low	51	Low	30 Å²	30	74.6 Å²	74.6	15%	0.154	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-57.7	126.5	-179.7	-63.2	166.7	0	0	0	109	G64 E68 K382	G64-I66 PolarHBondContact O-N 2.79Å; I66-E68 PolarHBondContact O-N 3.11Å; I66-E68 VanDerWaalsContact O-N 3.09Å; I66-K382 HydrophobicContact CD1-CG 4.01Å; I66-K382 HydrophobicContact CG1-CG 4.17Å; I66-K382 HydrophobicContact CG2-CD 3.69Å; I66-K382 HydrophobicContact CG2-CG 4.19Å
67	P	43.1	Very low	53.7	Low	103 Å²	103	76.5 Å²	76.5	67%	0.669	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-56.8	119.4	166.8	-20.4	30.8	0	0	0	109	K69	P67-K69 PolarHBondContact O-N 3.34Å
68	E	47.1	Very low	56.2	Low	162 Å²	162	80.7 Å²	80.7	76%	0.757	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-21.3	-179	-71.1	178.6	173.3	0	0	112.4	I66	I66-E68 PolarHBondContact O-N 3.11Å; I66-E68 VanDerWaalsContact O-N 3.09Å
69	K	40.2	Very low	58.6	Low	204 Å²	204	81.1 Å²	81.1	89%	0.887	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	44	-174.9	-65.8	-175.8	176.9	179.6	0	114.6	P67	P67-K69 PolarHBondContact O-N 3.34Å
70	S	49.6	Very low	61	Low	53 Å²	53	81.7 Å²	81.7	37%	0.371	45%	0.452	S	S	.	.	S	Bend	trans	-81.1	118.6	157	69.6	0	0	0	0	107.3	A72 K382	S70-A72 PolarHBondContact O-N 3.03Å; S70-K382 PolarHBondContact OG-NZ 2.74Å
71	S	48.9	Very low	63.5	Low	99 Å²	99	82.9 Å²	82.9	69%	0.692	45%	0.454	S	S	*	.			trans	-38.4	96.8	171.1	52.1	0	0	0	0	110.6	V73 Q113	S71-V73 PolarHBondContact O-N 2.8Å; S71-Q113 PolarHBondContact O-OE1 3.44Å
72	A	65.6	Low	66.2	Low	87 Å²	87	80.5 Å²	80.5	72%	0.719	45%	0.449	S	S	*	.			trans	-67.4	110.7	177.3	0	0	0	0	0	105.6	S70 N74	S70-A72 PolarHBondContact O-N 3.03Å; A72-N74 PolarHBondContact O-N 3.46Å
73	V	76.2	Confident	68.9	Low	51 Å²	51	80.8 Å²	80.8	31%	0.309	45%	0.453	S	S	.	.			trans	-57	124.2	168.7	175.4	0	0	0	0	106.3	S71 Y75	S71-V73 PolarHBondContact O-N 2.8Å; V73-Y75 HydrophobicContact CB-CD2 4.44Å; V73-Y75 HydrophobicContact CB-CE1 4.07Å; V73-Y75 HydrophobicContact CB-CE2 3.84Å; V73-Y75 HydrophobicContact CG1-CD1 3.9Å; V73-Y75 HydrophobicContact CG1-CD2 4.47Å; V73-Y75 HydrophobicContact CG1-CE1 3.47Å; V73-Y75 VanDerWaalsContact CG1-CE1 3.47Å; V73-Y75 HydrophobicContact CG1-CE2 4.11Å; V73-Y75 HydrophobicContact CG1-CG 4.38Å; V73-Y75 VanDerWaalsContact O-CD2 3.3Å; V73-Y75 WeakPolarHBondContact O-CD2 3.45Å; V73-Y75 PolarHBondContact O-N 2.71Å
74	N	85	Confident	71.7	Confident	157 Å²	157	78 Å²	78	84%	0.84	43%	0.434	S	S	*	.			trans	-80.4	87.5	-178.4	-167.7	25.4	0	0	0	108.9	A72	A72-N74 PolarHBondContact O-N 3.46Å
75	Y	89.8	Confident	74.2	Confident	31 Å²	31	80.3 Å²	80.3	12%	0.122	44%	0.442	C	S	.	.			trans	-74.6	141.3	176.5	-58.6	-70.8	0	0	0	110.9	V73 H110 L111 Q113 I114	V73-Y75 HydrophobicContact CB-CD2 4.44Å; V73-Y75 HydrophobicContact CB-CE1 4.07Å; V73-Y75 HydrophobicContact CB-CE2 3.84Å; V73-Y75 HydrophobicContact CG1-CD1 3.9Å; V73-Y75 HydrophobicContact CG1-CD2 4.47Å; V73-Y75 HydrophobicContact CG1-CE1 3.47Å; V73-Y75 VanDerWaalsContact CG1-CE1 3.47Å; V73-Y75 HydrophobicContact CG1-CE2 4.11Å; V73-Y75 HydrophobicContact CG1-CG 4.38Å; V73-Y75 VanDerWaalsContact O-CD2 3.3Å; V73-Y75 WeakPolarHBondContact O-CD2 3.45Å; V73-Y75 PolarHBondContact O-N 2.71Å; Y75-H110 AromaticContact CE1-CE1 3.94Å; Y75-H110 AromaticContact CE1-NE2 3.99Å; Y75-H110 WeakPolarHBondContact CE1-O 3.35Å; Y75-H110 VanDerWaalsContact CZ-O 3.31Å; Y75-H110 PolarHBondContact OH-O 3.18Å; Y75-L111 HydrophobicContact CD1-CD2 4.28Å; Y75-L111 HydrophobicContact CE1-CD2 4.16Å; Y75-Q113 HydrophobicContact CE2-CB 4.12Å; Y75-Q113 VanDerWaalsContact OH-CB 3.29Å; Y75-Q113 WeakPolarHBondContact OH-CB 3.42Å; Y75-Q113 PolarHBondContact OH-N 3.09Å; Y75-I114 HydrophobicContact CD1-CD1 4.01Å; Y75-I114 HydrophobicContact CD1-CG1 4.16Å; Y75-I114 HydrophobicContact CD2-CD1 4.35Å; Y75-I114 HydrophobicContact CD2-CG1 3.77Å; Y75-I114 HydrophobicContact CE1-CD1 4.12Å; Y75-I114 HydrophobicContact CE1-CG1 3.99Å; Y75-I114 HydrophobicContact CE2-CD1 4.45Å; Y75-I114 HydrophobicContact CE2-CG1 3.56Å; Y75-I114 HydrophobicContact CG-CD1 4.13Å; Y75-I114 HydrophobicContact CG-CG1 4.05Å
76	T	92.5	Very high	77	Confident	75 Å²	75	80.5 Å²	80.5	46%	0.46	44%	0.44	S	S	.	.			trans	-68.2	155.9	168.6	61.1	0	0	0	0	110.9	D78 E79 I80	T76-D78 PolarHBondContact O-N 3.15Å; T76-E79 PolarHBondContact N-OE2 3.36Å; T76-E79 PolarHBondContact O-N 3.44Å; T76-E79 VanDerWaalsContact O-N 3.14Å; T76-E79 WeakPolarHBondContact OG1-CB 3.47Å; T76-E79 WeakPolarHBondContact OG1-CG 3.07Å; T76-E79 PolarHBondContact OG1-N 3.28Å; T76-E79 VanDerWaalsContact OG1-N 3.14Å; T76-E79 PolarHBondContact OG1-OE2 3.16Å; T76-I80 WeakPolarHBondContact O-CG1 3.31Å; T76-I80 PolarHBondContact O-N 3.45Å; T76-I80 VanDerWaalsContact O-N 3.11Å
77	Q	89.9	Confident	79.5	Confident	106 Å²	106	81.7 Å²	81.7	50%	0.495	45%	0.45	S	S	.	.	H	α-helix	trans	-59.9	-36.3	175.6	-170.4	60.9	38.2	0	0	111.3	I80 D81	Q77-I80 PolarHBondContact O-N 3.14Å; Q77-D81 PolarHBondContact NE2-OD1 2.85Å; Q77-D81 PolarHBondContact NE2-OD2 3.44Å; Q77-D81 WeakPolarHBondContact O-CB 3.2Å; Q77-D81 PolarHBondContact O-N 2.91Å
78	D	92.8	Very high	82	Confident	133 Å²	133	83 Å²	83	71%	0.711	44%	0.441	S	S	*	.	H	α-helix	trans	-64.4	-40.1	175.9	-66.1	-18.6	0	0	0	111.8	T76 I80 D81 A82	T76-D78 PolarHBondContact O-N 3.15Å; D78-I80 VanDerWaalsContact C-N 3.32Å; D78-I80 PolarHBondContact O-N 3.34Å; D78-D81 PolarHBondContact O-N 2.82Å; D78-A82 WeakPolarHBondContact O-CB 3.27Å; D78-A82 PolarHBondContact O-N 2.72Å
79	E	92.6	Very high	84.2	Confident	41 Å²	41	80.1 Å²	80.1	19%	0.192	44%	0.439	C	S	.	.	H	α-helix	trans	-64.7	-40.2	177	-78.1	167.8	123.7	0	0	112.6	T76 R84 H110 L111	T76-E79 PolarHBondContact N-OE2 3.36Å; T76-E79 PolarHBondContact O-N 3.44Å; T76-E79 VanDerWaalsContact O-N 3.14Å; T76-E79 WeakPolarHBondContact OG1-CB 3.47Å; T76-E79 WeakPolarHBondContact OG1-CG 3.07Å; T76-E79 PolarHBondContact OG1-N 3.28Å; T76-E79 VanDerWaalsContact OG1-N 3.14Å; T76-E79 PolarHBondContact OG1-OE2 3.16Å; E79-R84 PolarHBondContact O-NH1 3.04Å; E79-H110 IonicContact OE1-CD2 3.72Å; E79-H110 PolarHBondContact OE1-CD2 2.88Å; E79-H110 IonicContact OE1-CE1 3.93Å; E79-H110 IonicContact OE1-NE2 3.78Å; E79-H110 PolarHBondContact OE1-NE2 3.46Å; E79-L111 HydrophobicContact CB-CD2 4.43Å
80	I	90.3	Very high	86.7	Confident	37 Å²	37	75.8 Å²	75.8	19%	0.19	43%	0.426	C	S	.	.	H	α-helix	trans	-65.5	-50.5	176.4	-70.8	174.8	0	0	0	109.4	T76 Q77 D78 A82 R193	T76-I80 WeakPolarHBondContact O-CG1 3.31Å; T76-I80 PolarHBondContact O-N 3.45Å; T76-I80 VanDerWaalsContact O-N 3.11Å; Q77-I80 PolarHBondContact O-N 3.14Å; D78-I80 VanDerWaalsContact C-N 3.32Å; D78-I80 PolarHBondContact O-N 3.34Å; I80-A82 PolarHBondContact O-N 2.91Å; I80-R193 VanDerWaalsContact CG2-NE 3.29Å; I80-R193 PolarHBondContact O-NH1 3.15Å
81	D	92.6	Very high	88.9	Confident	43 Å²	43	75.8 Å²	75.8	23%	0.23	42%	0.421	C	S	.	.	H	α-helix	trans	-84.3	-8	-174.4	-75.9	-19.4	0	0	0	114.5	Q77 D78 N83 R193 F195	Q77-D81 PolarHBondContact NE2-OD1 2.85Å; Q77-D81 PolarHBondContact NE2-OD2 3.44Å; Q77-D81 WeakPolarHBondContact O-CB 3.2Å; Q77-D81 PolarHBondContact O-N 2.91Å; D78-D81 PolarHBondContact O-N 2.82Å; D81-N83 PolarHBondContact O-N 2.77Å; D81-N83 VanDerWaalsContact O-N 3.15Å; D81-R193 WeakPolarHBondContact OD1-CA 3.35Å; D81-R193 VanDerWaalsContact OD1-CD 3.27Å; D81-R193 WeakPolarHBondContact OD1-CD 3.48Å; D81-F195 VanDerWaalsContact O-CD1 3.31Å; D81-F195 WeakPolarHBondContact O-CD1 3.37Å
82	A	92.9	Very high	91.2	Very high	36 Å²	36	71.2 Å²	71.2	30%	0.298	39%	0.389	S	S	.	.			trans	-67.9	112.5	177.4	0	0	0	0	0	112.3	D78 I80 R84	D78-A82 WeakPolarHBondContact O-CB 3.27Å; D78-A82 PolarHBondContact O-N 2.72Å; I80-A82 PolarHBondContact O-N 2.91Å; A82-R84 HydrophobicContact CB-CG 4.23Å; A82-R84 PolarHBondContact O-N 2.67Å; A82-R84 PolarHBondContact O-NH1 3.36Å
83	N	94.4	Very high	92.6	Very high	66 Å²	66	71.6 Å²	71.6	35%	0.353	37%	0.374	S	S	.	.			trans	-80.7	102.1	163.2	-175.3	0	0	0	0	109.3	D81 F85 F195	D81-N83 PolarHBondContact O-N 2.77Å; D81-N83 VanDerWaalsContact O-N 3.15Å; N83-F85 VanDerWaalsContact C-N 3.3Å; N83-F85 WeakPolarHBondContact OD1-CB 3.48Å; N83-F85 PolarHBondContact OD1-N 3.38Å; N83-F195 HydrophobicContact CB-CB 3.93Å; N83-F195 HydrophobicContact CB-CD1 3.87Å; N83-F195 HydrophobicContact CB-CG 3.96Å
84	R	95.4	Very high	93.6	Very high	61 Å²	61	72.7 Å²	72.7	23%	0.23	38%	0.379	C	S	.	.			trans	-95.2	19.3	-178.2	-61.6	177.7	-177.3	80.6	-5.5	112.8	E79 A82 D86 R124	E79-R84 PolarHBondContact O-NH1 3.04Å; A82-R84 HydrophobicContact CB-CG 4.23Å; A82-R84 PolarHBondContact O-N 2.67Å; A82-R84 PolarHBondContact O-NH1 3.36Å; R84-D86 PolarHBondContact O-N 3.34Å; R84-R124 PolarHBondContact O-NH1 2.89Å
85	F	97.2	Very high	94.2	Very high	57 Å²	57	65.3 Å²	65.3	25%	0.25	34%	0.34	C	S	.	.			trans	-57.9	112	178.2	-178.5	-111.6	0	0	0	110.9	N83 P87 L127 W162	N83-F85 VanDerWaalsContact C-N 3.3Å; N83-F85 WeakPolarHBondContact OD1-CB 3.48Å; N83-F85 PolarHBondContact OD1-N 3.38Å; F85-P87 HydrophobicContact CE1-CG 3.87Å; F85-P87 HydrophobicContact CE2-CB 4.09Å; F85-P87 HydrophobicContact CE2-CG 4.15Å; F85-P87 HydrophobicContact CZ-CB 3.87Å; F85-P87 HydrophobicContact CZ-CG 3.52Å; F85-L127 HydrophobicContact CD2-CD2 4.42Å; F85-L127 HydrophobicContact CE1-CD1 4.14Å; F85-L127 HydrophobicContact CE1-CG 4.28Å; F85-L127 HydrophobicContact CE2-CD1 4.46Å; F85-L127 HydrophobicContact CE2-CD2 3.66Å; F85-L127 HydrophobicContact CE2-CG 3.81Å; F85-L127 HydrophobicContact CZ-CD1 3.83Å; F85-L127 HydrophobicContact CZ-CD2 3.87Å; F85-L127 HydrophobicContact CZ-CG 3.47Å; F85-L127 VanDerWaalsContact CZ-CG 3.47Å; F85-W162 AromaticContact CD1-CD1 3.98Å; F85-W162 AromaticContact CD1-NE1 3.87Å; F85-W162 AromaticContact CG-CD1 3.68Å
86	D	96.5	Very high	94.5	Very high	58 Å²	58	69.5 Å²	69.5	31%	0.31	36%	0.36	S	S	.	.			trans	-151.6	77.6	-174.8	167.1	39.1	0	0	0	107.4	R84 R88 D123 R124	R84-D86 PolarHBondContact O-N 3.34Å; D86-R88 PolarHBondContact O-N 2.89Å; D86-R88 IonicContact OD1-CZ 3.49Å; D86-R88 IonicContact OD1-NE 3.48Å; D86-R88 PolarHBondContact OD1-NE 3.44Å; D86-R88 IonicContact OD1-NH2 3.04Å; D86-R88 IonicContact OD2-CZ 3.78Å; D86-R88 IonicContact OD2-NE 2.89Å; D86-R88 PolarHBondContact OD2-NE 3.23Å; D86-R88 IonicContact OD2-NH2 3.15Å; D86-R88 PolarHBondContact OD2-NH2 3.43Å; D86-D123 CarbonylContact C-O 3.2Å; D86-D123 VanDerWaalsContact C-O 3.28Å; D86-D123 PolarHBondContact N-O 3.34Å; D86-D123 VanDerWaalsContact N-O 3.08Å; D86-R124 IonicContact OD2-CZ 3.8Å; D86-R124 IonicContact OD2-NH1 2.95Å
87	P	96.8	Very high	94.7	Very high	55 Å²	55	67.6 Å²	67.6	36%	0.357	35%	0.353	S	S	.	.			trans	-68.9	132.2	-172	29	-35.7	0	0	0	110.4	F85 R124 P126	F85-P87 HydrophobicContact CE1-CG 3.87Å; F85-P87 HydrophobicContact CE2-CB 4.09Å; F85-P87 HydrophobicContact CE2-CG 4.15Å; F85-P87 HydrophobicContact CZ-CB 3.87Å; F85-P87 HydrophobicContact CZ-CG 3.52Å; P87-R124 WeakPolarHBondContact CA-O 3.08Å; P87-P126 HydrophobicContact CB-CB 4.4Å; P87-P126 HydrophobicContact CB-CG 4.25Å
88	R	95.5	Very high	95.1	Very high	130 Å²	130	63.1 Å²	63.1	49%	0.491	33%	0.333	S	S	.	.			trans	-104.5	139.5	176.1	-51.7	-59.5	-175.6	146.3	1.7	109.8	D86 N90 M91 R124	D86-R88 PolarHBondContact O-N 2.89Å; D86-R88 IonicContact OD1-CZ 3.49Å; D86-R88 IonicContact OD1-NE 3.48Å; D86-R88 PolarHBondContact OD1-NE 3.44Å; D86-R88 IonicContact OD1-NH2 3.04Å; D86-R88 IonicContact OD2-CZ 3.78Å; D86-R88 IonicContact OD2-NE 2.89Å; D86-R88 PolarHBondContact OD2-NE 3.23Å; D86-R88 IonicContact OD2-NH2 3.15Å; D86-R88 PolarHBondContact OD2-NH2 3.43Å; R88-N90 PolarHBondContact O-N 3.21Å; R88-M91 HydrophobicContact CB-CE 4.47Å; R88-M91 HydrophobicContact CB-CG 3.68Å; R88-M91 WeakPolarHBondContact O-CB 3.42Å; R88-M91 PolarHBondContact O-N 3.49Å; R88-R124 PolarHBondContact N-O 3.31Å
89	S	92.8	Very high	95.2	Very high	103 Å²	103	67.4 Å²	67.4	72%	0.72	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	136.4	-179.3	59.3	0	0	0	0	111.5	M91	S89-M91 PolarHBondContact O-N 2.88Å; S89-M91 VanDerWaalsContact O-N 3.17Å
90	N	92.6	Very high	95.3	Very high	113 Å²	113	67 Å²	67	60%	0.604	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.8	-2.1	179.6	-52.9	-56	0	0	0	116.8	R88 G92 K93	R88-N90 PolarHBondContact O-N 3.21Å; N90-G92 PolarHBondContact O-N 3.12Å; N90-K93 VanDerWaalsContact O-CB 3.31Å; N90-K93 WeakPolarHBondContact O-CB 3.39Å; N90-K93 PolarHBondContact O-N 2.81Å
91	M	96.4	Very high	95.5	Very high	53 Å²	53	69.6 Å²	69.6	26%	0.261	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	126.6	174.5	-76	-64.8	-168.7	0	0	111	R88 S89 K93 V98 R124 P126	R88-M91 HydrophobicContact CB-CE 4.47Å; R88-M91 HydrophobicContact CB-CG 3.68Å; R88-M91 WeakPolarHBondContact O-CB 3.42Å; R88-M91 PolarHBondContact O-N 3.49Å; S89-M91 PolarHBondContact O-N 2.88Å; S89-M91 VanDerWaalsContact O-N 3.17Å; M91-K93 PolarHBondContact O-N 2.8Å; M91-K93 VanDerWaalsContact O-N 3.12Å; M91-V98 HydrophobicContact SD-CG1 4.09Å; M91-R124 WeakPolarHBondContact CB-O 3.37Å; M91-R124 HydrophobicContact CG-CB 4.3Å; M91-P126 WeakPolarHBondContact O-CD 3.12Å
92	G	96.6	Very high	95.6	Very high	3 Å²	3	71.7 Å²	71.7	3%	0.031	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.2	12.6	-179.8	0	0	0	0	0	115.1	N90 G95 Q96 R129	N90-G92 PolarHBondContact O-N 3.12Å; G92-G95 PolarHBondContact O-N 3.05Å; G92-G95 VanDerWaalsContact O-N 3.16Å; G92-Q96 WeakPolarHBondContact CA-O 3.39Å; G92-R129 WeakPolarHBondContact O-CD 3.32Å; G92-R129 PolarHBondContact O-NH1 2.84Å
93	K	97	Very high	95.8	Very high	94 Å²	94	77.6 Å²	77.6	41%	0.409	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-55.9	140.7	178.5	-176.6	-177	173.7	178.4	0	110.8	N90 M91 G95 Q96 S130	N90-K93 VanDerWaalsContact O-CB 3.31Å; N90-K93 WeakPolarHBondContact O-CB 3.39Å; N90-K93 PolarHBondContact O-N 2.81Å; M91-K93 PolarHBondContact O-N 2.8Å; M91-K93 VanDerWaalsContact O-N 3.12Å; K93-G95 PolarHBondContact O-N 2.93Å; K93-Q96 VanDerWaalsContact O-CB 3.3Å; K93-Q96 WeakPolarHBondContact O-CB 3.23Å; K93-Q96 VanDerWaalsContact O-CG 3.22Å; K93-Q96 WeakPolarHBondContact O-CG 3.46Å; K93-Q96 PolarHBondContact O-N 3.14Å; K93-Q96 PolarHBondContact O-NE2 2.8Å; K93-S130 WeakPolarHBondContact CG-OG 3.48Å
94	D	96.7	Very high	95.8	Very high	74 Å²	74	75.7 Å²	75.7	40%	0.396	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	55	31.2	-177.1	-50.9	-42.4	0	0	0	112.4	Q96 S130 P132	D94-Q96 VanDerWaalsContact C-N 3.26Å; D94-Q96 PolarHBondContact O-N 3.25Å; D94-S130 WeakPolarHBondContact CA-O 3.44Å; D94-S130 PolarHBondContact N-O 3.25Å; D94-S130 VanDerWaalsContact N-O 3.1Å; D94-S130 PolarHBondContact N-OG 2.94Å; D94-S130 WeakPolarHBondContact OD1-CB 3.45Å; D94-S130 PolarHBondContact OD1-OG 3.49Å; D94-P132 WeakPolarHBondContact O-CD 3.26Å
95	G	96.4	Very high	95.8	Very high	3 Å²	3	76.9 Å²	76.9	3%	0.031	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	68.4	16.7	-177.4	0	0	0	0	0	115.1	G92 K93 S130 Q280 Y281	G92-G95 PolarHBondContact O-N 3.05Å; G92-G95 VanDerWaalsContact O-N 3.16Å; K93-G95 PolarHBondContact O-N 2.93Å; G95-S130 PolarHBondContact N-O 3.48Å; G95-S130 VanDerWaalsContact N-O 3.15Å; G95-Q280 WeakPolarHBondContact O-CA 3.23Å; G95-Q280 WeakPolarHBondContact O-CG 3.43Å; G95-Y281 PolarHBondContact O-N 3.29Å
96	Q	97.3	Very high	95.7	Very high	118 Å²	118	77.1 Å²	77.1	55%	0.551	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-67.2	158	-179.9	-69.2	179.1	57	0	0	112.9	G92 K93 D94	G92-Q96 WeakPolarHBondContact CA-O 3.39Å; K93-Q96 VanDerWaalsContact O-CB 3.3Å; K93-Q96 WeakPolarHBondContact O-CB 3.23Å; K93-Q96 VanDerWaalsContact O-CG 3.22Å; K93-Q96 WeakPolarHBondContact O-CG 3.46Å; K93-Q96 PolarHBondContact O-N 3.14Å; K93-Q96 PolarHBondContact O-NE2 2.8Å; D94-Q96 VanDerWaalsContact C-N 3.26Å; D94-Q96 PolarHBondContact O-N 3.25Å
97	A	96.8	Very high	95.7	Very high	36 Å²	36	77 Å²	77	30%	0.298	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-66.4	131.2	174.9	0	0	0	0	0	111.2	Q280	A97-Q280 HydrophobicContact CB-CB 3.94Å; A97-Q280 HydrophobicContact CB-CG 4.3Å
98	V	97	Very high	95.6	Very high	12 Å²	12	74.5 Å²	74.5	7%	0.073	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-70.8	136.8	171.1	177.9	0	0	0	0	109.7	M91 L100 A121 I125 T278 F279	M91-V98 HydrophobicContact SD-CG1 4.09Å; V98-L100 HydrophobicContact CG1-CD2 3.75Å; V98-L100 HydrophobicContact CG1-CG 4.15Å; V98-A121 HydrophobicContact CB-CB 4.09Å; V98-A121 HydrophobicContact CG1-CB 3.99Å; V98-A121 HydrophobicContact CG2-CB 4.47Å; V98-I125 HydrophobicContact CG2-CD1 3.54Å; V98-I125 HydrophobicContact CG2-CG1 3.56Å; V98-T278 WeakPolarHBondContact CB-O 3.5Å; V98-T278 PolarHBondContact N-O 3.41Å; V98-F279 HydrophobicContact CG2-CB 4.46Å
99	R	95	Very high	95.6	Very high	222 Å²	222	71.4 Å²	71.4	84%	0.838	39%	0.391	S	S	*	.			trans	-117.4	111.4	172.5	-65.3	-176.3	179.4	135.5	2.2	108.4
100	L	94.8	Very high	95.6	Very high	34 Å²	34	69.9 Å²	69.9	18%	0.178	37%	0.373	C	S	.	.			trans	-86.5	157	177.4	-61.9	178.6	0	0	0	110.3	V98 D104 D105 A108 I120 A121 R124	V98-L100 HydrophobicContact CG1-CD2 3.75Å; V98-L100 HydrophobicContact CG1-CG 4.15Å; L100-D104 HydrophobicContact CB-CB 3.86Å; L100-D104 HydrophobicContact CD1-CB 4.26Å; L100-D104 HydrophobicContact CD2-CB 4.15Å; L100-D104 HydrophobicContact CG-CB 4.3Å; L100-D105 HydrophobicContact CB-CB 4.31Å; L100-A108 HydrophobicContact CD1-CB 3.89Å; L100-I120 HydrophobicContact CD1-CB 4.21Å; L100-I120 HydrophobicContact CD1-CG2 3.9Å; L100-I120 HydrophobicContact CD2-CG2 4.16Å; L100-A121 HydrophobicContact CD1-CB 4.24Å; L100-R124 HydrophobicContact CD2-CG 4.13Å
101	N	95.2	Very high	95.7	Very high	91 Å²	91	64.5 Å²	64.5	49%	0.487	34%	0.344	S	S	.	.			trans	-73.9	170.9	166	67.9	38.8	0	0	0	109.7	E103 D104 D105	N101-E103 VanDerWaalsContact C-N 3.29Å; N101-E103 PolarHBondContact O-N 2.92Å; N101-E103 PolarHBondContact OD1-N 3.05Å; N101-E103 VanDerWaalsContact OD1-N 3.15Å; N101-D104 PolarHBondContact O-N 3.06Å; N101-D104 WeakPolarHBondContact OD1-CB 3.38Å; N101-D104 PolarHBondContact OD1-N 3.1Å; N101-D105 VanDerWaalsContact O-CB 3.32Å; N101-D105 WeakPolarHBondContact O-CB 3.42Å; N101-D105 PolarHBondContact O-N 3.46Å
102	A	95.3	Very high	95.6	Very high	87 Å²	87	63.1 Å²	63.1	72%	0.719	34%	0.336	S	S	*	.	H	α-helix	trans	-61.5	-34.6	-174.9	0	0	0	0	0	113.7	A106	A102-A106 WeakPolarHBondContact O-CB 3.48Å; A102-A106 PolarHBondContact O-N 3.36Å; A102-A106 VanDerWaalsContact O-N 3.07Å
103	E	95.5	Very high	95.3	Very high	159 Å²	159	66 Å²	66	74%	0.743	35%	0.349	S	S	*	.	H	α-helix	trans	-70.6	-50	179.2	-175	-178.6	179.6	0	0	111.5	N101 D105 A106 L107	N101-E103 VanDerWaalsContact C-N 3.29Å; N101-E103 PolarHBondContact O-N 2.92Å; N101-E103 PolarHBondContact OD1-N 3.05Å; N101-E103 VanDerWaalsContact OD1-N 3.15Å; E103-D105 VanDerWaalsContact C-N 3.27Å; E103-D105 PolarHBondContact O-N 3.03Å; E103-A106 PolarHBondContact O-N 3.48Å; E103-L107 WeakPolarHBondContact O-CB 3.47Å; E103-L107 PolarHBondContact O-N 2.79Å
104	D	95.2	Very high	95.1	Very high	26 Å²	26	62.3 Å²	62.3	14%	0.139	33%	0.334	C	S	.	.	H	α-helix	trans	-61.9	-33.9	175.3	-89.6	-16.3	0	0	0	111.2	L100 N101 A108 I120 R124	L100-D104 HydrophobicContact CB-CB 3.86Å; L100-D104 HydrophobicContact CD1-CB 4.26Å; L100-D104 HydrophobicContact CD2-CB 4.15Å; L100-D104 HydrophobicContact CG-CB 4.3Å; N101-D104 PolarHBondContact O-N 3.06Å; N101-D104 WeakPolarHBondContact OD1-CB 3.38Å; N101-D104 PolarHBondContact OD1-N 3.1Å; D104-A108 WeakPolarHBondContact O-CB 3.26Å; D104-A108 PolarHBondContact O-N 2.8Å; D104-I120 HydrophobicContact CB-CG2 3.88Å; D104-R124 IonicContact OD1-CZ 3.66Å; D104-R124 IonicContact OD1-NE 3.81Å; D104-R124 IonicContact OD1-NH2 2.64Å; D104-R124 PolarHBondContact OD1-NH2 3.01Å; D104-R124 IonicContact OD2-CZ 3.42Å; D104-R124 IonicContact OD2-NE 2.7Å; D104-R124 PolarHBondContact OD2-NE 3.1Å; D104-R124 VanDerWaalsContact OD2-NE 3.15Å; D104-R124 IonicContact OD2-NH2 3.35Å; D104-R124 PolarHBondContact OD2-NH2 3.35Å
105	D	95.6	Very high	95	Very high	86 Å²	86	58.9 Å²	58.9	46%	0.46	32%	0.315	S	S	.	.	H	α-helix	trans	-71.7	-38.2	177.5	-167.9	69.4	0	0	0	112.7	L100 N101 E103 A108 S109	L100-D105 HydrophobicContact CB-CB 4.31Å; N101-D105 VanDerWaalsContact O-CB 3.32Å; N101-D105 WeakPolarHBondContact O-CB 3.42Å; N101-D105 PolarHBondContact O-N 3.46Å; E103-D105 VanDerWaalsContact C-N 3.27Å; E103-D105 PolarHBondContact O-N 3.03Å; D105-A108 WeakPolarHBondContact O-CB 3.01Å; D105-A108 PolarHBondContact O-N 3.05Å; D105-S109 WeakPolarHBondContact O-CB 3.41Å; D105-S109 PolarHBondContact O-N 3.41Å; D105-S109 PolarHBondContact O-OG 3.49Å
106	A	96.1	Very high	94.9	Very high	62 Å²	62	60 Å²	60	51%	0.512	32%	0.32	S	S	.	.	H	α-helix	trans	-64.6	-45.7	171.8	0	0	0	0	0	111	A102 E103 S109 H110	A102-A106 WeakPolarHBondContact O-CB 3.48Å; A102-A106 PolarHBondContact O-N 3.36Å; A102-A106 VanDerWaalsContact O-N 3.07Å; E103-A106 PolarHBondContact O-N 3.48Å; A106-S109 PolarHBondContact O-N 3.3Å; A106-H110 PolarHBondContact O-N 3.22Å
107	L	95.3	Very high	94.8	Very high	57 Å²	57	54.4 Å²	54.4	30%	0.298	29%	0.293	S	S	.	.	H	α-helix	trans	-63.3	-41.9	175.8	-176.4	61.9	0	0	0	111.8	E103 S109 H110 L111 I120	E103-L107 WeakPolarHBondContact O-CB 3.47Å; E103-L107 PolarHBondContact O-N 2.79Å; L107-S109 VanDerWaalsContact C-N 3.31Å; L107-S109 PolarHBondContact O-N 2.83Å; L107-H110 PolarHBondContact O-N 2.73Å; L107-L111 HydrophobicContact CD1-CD1 3.76Å; L107-L111 HydrophobicContact CD1-CG 3.97Å; L107-L111 HydrophobicContact CD2-CD1 4.47Å; L107-L111 HydrophobicContact CG-CD1 3.84Å; L107-L111 HydrophobicContact CG-CG 4.34Å; L107-L111 WeakPolarHBondContact O-CB 3.35Å; L107-L111 WeakPolarHBondContact O-CG 3.45Å; L107-L111 PolarHBondContact O-N 3.11Å; L107-I120 HydrophobicContact CB-CG1 4.42Å; L107-I120 HydrophobicContact CD2-CD1 3.68Å; L107-I120 HydrophobicContact CD2-CG1 4.18Å; L107-I120 HydrophobicContact CG-CD1 3.95Å; L107-I120 HydrophobicContact CG-CG1 4.02Å
108	A	95.2	Very high	94.7	Very high	2 Å²	2	53.2 Å²	53.2	2%	0.017	28%	0.282	C	S	.	.	H	α-helix	trans	-57.1	-44.4	174.2	0	0	0	0	0	112.3	L100 D104 D105 F112 N118 I120	L100-A108 HydrophobicContact CD1-CB 3.89Å; D104-A108 WeakPolarHBondContact O-CB 3.26Å; D104-A108 PolarHBondContact O-N 2.8Å; D105-A108 WeakPolarHBondContact O-CB 3.01Å; D105-A108 PolarHBondContact O-N 3.05Å; A108-F112 PolarHBondContact O-N 3.11Å; A108-N118 WeakPolarHBondContact CB-OD1 3.5Å; A108-I120 HydrophobicContact CB-CB 4.04Å; A108-I120 HydrophobicContact CB-CG1 4.18Å
109	S	94.1	Very high	94.7	Very high	64 Å²	64	53.2 Å²	53.2	45%	0.448	28%	0.282	S	S	.	.	H	α-helix	trans	-66.4	-41.2	178.6	-65.4	0	0	0	0	111.6	D105 A106 L107	D105-S109 WeakPolarHBondContact O-CB 3.41Å; D105-S109 PolarHBondContact O-N 3.41Å; D105-S109 PolarHBondContact O-OG 3.49Å; A106-S109 PolarHBondContact O-N 3.3Å; L107-S109 VanDerWaalsContact C-N 3.31Å; L107-S109 PolarHBondContact O-N 2.83Å
110	H	94.2	Very high	94.8	Very high	72 Å²	72	42.7 Å²	42.7	33%	0.333	24%	0.242	S	C	.	.	H	α-helix	trans	-61.5	-48.9	174.3	176.9	58.3	0	0	0	111.8	Y75 E79 A106 L107 F112	Y75-H110 AromaticContact CE1-CE1 3.94Å; Y75-H110 AromaticContact CE1-NE2 3.99Å; Y75-H110 WeakPolarHBondContact CE1-O 3.35Å; Y75-H110 VanDerWaalsContact CZ-O 3.31Å; Y75-H110 PolarHBondContact OH-O 3.18Å; E79-H110 IonicContact OE1-CD2 3.72Å; E79-H110 PolarHBondContact OE1-CD2 2.88Å; E79-H110 IonicContact OE1-CE1 3.93Å; E79-H110 IonicContact OE1-NE2 3.78Å; E79-H110 PolarHBondContact OE1-NE2 3.46Å; A106-H110 PolarHBondContact O-N 3.22Å; L107-H110 PolarHBondContact O-N 2.73Å; H110-F112 PolarHBondContact O-N 2.71Å
111	L	95	Very high	95	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-83	-5	-174.7	-60.1	178.1	0	0	0	114.7	Y75 E79 L107 Q113 I114 I119 I120	Y75-L111 HydrophobicContact CD1-CD2 4.28Å; Y75-L111 HydrophobicContact CE1-CD2 4.16Å; E79-L111 HydrophobicContact CB-CD2 4.43Å; L107-L111 HydrophobicContact CD1-CD1 3.76Å; L107-L111 HydrophobicContact CD1-CG 3.97Å; L107-L111 HydrophobicContact CD2-CD1 4.47Å; L107-L111 HydrophobicContact CG-CD1 3.84Å; L107-L111 HydrophobicContact CG-CG 4.34Å; L107-L111 WeakPolarHBondContact O-CB 3.35Å; L107-L111 WeakPolarHBondContact O-CG 3.45Å; L107-L111 PolarHBondContact O-N 3.11Å; L111-Q113 PolarHBondContact O-N 3.34Å; L111-Q113 VanDerWaalsContact O-N 3.09Å; L111-I114 HydrophobicContact CB-CD1 4.22Å; L111-I114 HydrophobicContact CD2-CD1 3.67Å; L111-I114 HydrophobicContact CG-CD1 4.49Å; L111-I114 WeakPolarHBondContact O-CB 3.41Å; L111-I114 WeakPolarHBondContact O-CG1 3.46Å; L111-I114 PolarHBondContact O-N 3.13Å; L111-I114 VanDerWaalsContact O-N 3.13Å; L111-I119 HydrophobicContact CB-CG2 3.78Å; L111-I119 HydrophobicContact CD1-CG2 4.13Å; L111-I120 HydrophobicContact CD1-CD1 3.89Å; L111-I120 HydrophobicContact CD1-CG1 4.31Å
112	F	93.4	Very high	95.1	Very high	24 Å²	24	36.8 Å²	36.8	11%	0.105	21%	0.211	C	C	.	.	H	α-helix	trans	-53.1	-37.3	-174.1	-171.6	-84	0	0	0	112.9	A108 H110 I114 Q116 F117 D276 R277	A108-F112 PolarHBondContact O-N 3.11Å; H110-F112 PolarHBondContact O-N 2.71Å; F112-I114 VanDerWaalsContact C-N 3.28Å; F112-I114 PolarHBondContact O-N 3.4Å; F112-Q116 WeakPolarHBondContact O-CA 3.36Å; F112-Q116 PolarHBondContact O-N 2.68Å; F112-F117 VanDerWaalsContact CD2-C 3.48Å; F112-F117 VanDerWaalsContact CE2-CA 3.49Å; F112-F117 PolarHBondContact O-N 3.41Å; F112-D276 HydrophobicContact CZ-CB 4.43Å; F112-R277 HydrophobicContact CE2-CG 4.01Å
113	Q	91.4	Very high	95.3	Very high	63 Å²	63	32.7 Å²	32.7	29%	0.294	18%	0.177	S	C	.	.	H	α-helix	trans	-72.4	-20.1	-173.5	-52	-173.3	-1.7	0	0	113.8	S71 Y75 L111 N115 Q116	S71-Q113 PolarHBondContact O-OE1 3.44Å; Y75-Q113 HydrophobicContact CE2-CB 4.12Å; Y75-Q113 VanDerWaalsContact OH-CB 3.29Å; Y75-Q113 WeakPolarHBondContact OH-CB 3.42Å; Y75-Q113 PolarHBondContact OH-N 3.09Å; L111-Q113 PolarHBondContact O-N 3.34Å; L111-Q113 VanDerWaalsContact O-N 3.09Å; Q113-N115 PolarHBondContact O-N 3.45Å; Q113-Q116 PolarHBondContact O-NE2 2.83Å
114	I	92.5	Very high	95.4	Very high	17 Å²	17	26.3 Å²	26.3	9%	0.087	15%	0.146	C	C	.	.	H	α-helix	trans	-59.9	-45.7	-178	-59.9	-178.4	0	0	0	110.9	Y75 L111 F112 R193 P384	Y75-I114 HydrophobicContact CD1-CD1 4.01Å; Y75-I114 HydrophobicContact CD1-CG1 4.16Å; Y75-I114 HydrophobicContact CD2-CD1 4.35Å; Y75-I114 HydrophobicContact CD2-CG1 3.77Å; Y75-I114 HydrophobicContact CE1-CD1 4.12Å; Y75-I114 HydrophobicContact CE1-CG1 3.99Å; Y75-I114 HydrophobicContact CE2-CD1 4.45Å; Y75-I114 HydrophobicContact CE2-CG1 3.56Å; Y75-I114 HydrophobicContact CG-CD1 4.13Å; Y75-I114 HydrophobicContact CG-CG1 4.05Å; L111-I114 HydrophobicContact CB-CD1 4.22Å; L111-I114 HydrophobicContact CD2-CD1 3.67Å; L111-I114 HydrophobicContact CG-CD1 4.49Å; L111-I114 WeakPolarHBondContact O-CB 3.41Å; L111-I114 WeakPolarHBondContact O-CG1 3.46Å; L111-I114 PolarHBondContact O-N 3.13Å; L111-I114 VanDerWaalsContact O-N 3.13Å; F112-I114 VanDerWaalsContact C-N 3.28Å; F112-I114 PolarHBondContact O-N 3.4Å; I114-R193 VanDerWaalsContact CG2-NH1 3.34Å; I114-P384 WeakPolarHBondContact O-CB 3.28Å
115	N	93.8	Very high	95.5	Very high	2 Å²	2	25 Å²	25	1%	0.011	14%	0.139	C	C	.	.	H	α-helix	trans	-121.2	0.9	-179.4	-66.4	90.6	0	0	0	113.7	Q113 F117 N159 A161 R380	Q113-N115 PolarHBondContact O-N 3.45Å; N115-F117 VanDerWaalsContact C-N 3.29Å; N115-F117 HydrophobicContact CB-CD1 4.2Å; N115-F117 HydrophobicContact CB-CD2 4.13Å; N115-F117 HydrophobicContact CB-CE1 3.75Å; N115-F117 HydrophobicContact CB-CE2 3.63Å; N115-F117 HydrophobicContact CB-CG 4.38Å; N115-F117 HydrophobicContact CB-CZ 3.41Å; N115-F117 VanDerWaalsContact CB-CZ 3.41Å; N115-F117 VanDerWaalsContact O-CD1 3.28Å; N115-F117 WeakPolarHBondContact O-CD1 3.45Å; N115-F117 PolarHBondContact O-N 3.06Å; N115-N159 PolarHBondContact ND2-O 2.83Å; N115-A161 PolarHBondContact ND2-N 3.31Å; N115-R380 PolarHBondContact O-NE 3.06Å
116	Q	93.5	Very high	95.6	Very high	26 Å²	26	22.2 Å²	22.2	12%	0.121	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	34.6	-177.2	-60.2	-72.6	-48.1	0	0	113.5	F112 Q113 R380 K382 P384	F112-Q116 WeakPolarHBondContact O-CA 3.36Å; F112-Q116 PolarHBondContact O-N 2.68Å; Q113-Q116 PolarHBondContact O-NE2 2.83Å; Q116-R380 HydrophobicContact CB-CB 4.12Å; Q116-R380 HydrophobicContact CB-CG 4.11Å; Q116-K382 WeakPolarHBondContact CG-O 3.48Å; Q116-P384 HydrophobicContact CG-CB 3.85Å; Q116-P384 HydrophobicContact CG-CG 4.34Å
117	F	95	Very high	95.7	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	-159.4	169.3	170	53.7	-115.2	0	0	0	109.8	F112 N115 I119 E160 A161 T164 D276 F279 I378	F112-F117 VanDerWaalsContact CD2-C 3.48Å; F112-F117 VanDerWaalsContact CE2-CA 3.49Å; F112-F117 PolarHBondContact O-N 3.41Å; N115-F117 VanDerWaalsContact C-N 3.29Å; N115-F117 HydrophobicContact CB-CD1 4.2Å; N115-F117 HydrophobicContact CB-CD2 4.13Å; N115-F117 HydrophobicContact CB-CE1 3.75Å; N115-F117 HydrophobicContact CB-CE2 3.63Å; N115-F117 HydrophobicContact CB-CG 4.38Å; N115-F117 HydrophobicContact CB-CZ 3.41Å; N115-F117 VanDerWaalsContact CB-CZ 3.41Å; N115-F117 VanDerWaalsContact O-CD1 3.28Å; N115-F117 WeakPolarHBondContact O-CD1 3.45Å; N115-F117 PolarHBondContact O-N 3.06Å; F117-I119 HydrophobicContact CE2-CB 4.39Å; F117-I119 PolarHBondContact O-N 3.19Å; F117-E160 WeakPolarHBondContact CZ-OE1 3.47Å; F117-A161 HydrophobicContact CE2-CB 4.07Å; F117-A161 HydrophobicContact CZ-CB 3.93Å; F117-T164 HydrophobicContact CE1-CG2 4.05Å; F117-T164 HydrophobicContact CE2-CG2 3.87Å; F117-T164 HydrophobicContact CZ-CG2 3.5Å; F117-T164 VanDerWaalsContact CZ-CG2 3.5Å; F117-D276 CarbonylContact C-O 3.28Å; F117-D276 WeakPolarHBondContact CA-O 3.36Å; F117-D276 HydrophobicContact CB-CB 4.24Å; F117-D276 WeakPolarHBondContact CB-O 3.29Å; F117-F279 HydrophobicContact CB-CE2 4.37Å; F117-F279 HydrophobicContact CB-CZ 4.29Å; F117-F279 HydrophobicContact CD2-CE2 4.24Å; F117-F279 AromaticContact CD2-CZ 3.71Å; F117-F279 HydrophobicContact CD2-CZ 3.71Å; F117-F279 HydrophobicContact CE2-CZ 4.26Å; F117-F279 HydrophobicContact CG-CZ 4.09Å; F117-I378 HydrophobicContact CB-CG2 4.04Å; F117-I378 HydrophobicContact CD1-CD1 4.11Å; F117-I378 HydrophobicContact CD1-CG2 3.98Å; F117-I378 HydrophobicContact CE1-CD1 4.28Å; F117-I378 HydrophobicContact CG-CD1 4.42Å; F117-I378 HydrophobicContact CG-CG2 4.37Å
118	N	96.5	Very high	95.7	Very high	11 Å²	11	22.6 Å²	22.6	6%	0.059	12%	0.119	C	C	.	.			trans	-72	88.4	177.4	-174.9	-15.2	0	0	0	111.9	A108 I120 A121 S122 D276 R277 F279	A108-N118 WeakPolarHBondContact CB-OD1 3.5Å; N118-I120 VanDerWaalsContact C-N 3.28Å; N118-I120 PolarHBondContact O-N 3.19Å; N118-I120 PolarHBondContact OD1-N 3.07Å; N118-A121 HydrophobicContact CB-CB 4.03Å; N118-A121 VanDerWaalsContact CG-CB 3.42Å; N118-A121 WeakPolarHBondContact ND2-CB 3.46Å; N118-A121 PolarHBondContact O-N 2.83Å; N118-A121 PolarHBondContact OD1-N 3.49Å; N118-S122 PolarHBondContact O-N 2.76Å; N118-S122 VanDerWaalsContact O-N 3.13Å; N118-D276 PolarHBondContact N-O 2.97Å; N118-R277 VanDerWaalsContact CB-O 3.28Å; N118-R277 WeakPolarHBondContact CB-O 3.49Å; N118-R277 PolarHBondContact ND2-O 3.46Å; N118-F279 HydrophobicContact CB-CE2 4.2Å; N118-F279 WeakPolarHBondContact O-CE2 3.34Å
119	I	96.7	Very high	95.8	Very high	13 Å²	13	23 Å²	23	7%	0.067	12%	0.12	C	C	.	.	H	α-helix	trans	-60.4	-36.2	-179.9	-168.6	169.5	0	0	0	112.5	L111 F117 S122 D123 A161	L111-I119 HydrophobicContact CB-CG2 3.78Å; L111-I119 HydrophobicContact CD1-CG2 4.13Å; F117-I119 HydrophobicContact CE2-CB 4.39Å; F117-I119 PolarHBondContact O-N 3.19Å; I119-S122 WeakPolarHBondContact O-CB 3.46Å; I119-S122 PolarHBondContact O-N 3.46Å; I119-D123 WeakPolarHBondContact O-CB 3.46Å; I119-D123 VanDerWaalsContact O-CG 3.26Å; I119-D123 PolarHBondContact O-N 3.3Å; I119-A161 HydrophobicContact CD1-CB 3.79Å; I119-A161 HydrophobicContact CG1-CB 4.08Å
120	I	97.6	Very high	95.9	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-64.2	-46.3	178.7	-58.6	-57.5	0	0	0	110.6	L100 D104 L107 A108 L111 N118 S122 D123 R124	L100-I120 HydrophobicContact CD1-CB 4.21Å; L100-I120 HydrophobicContact CD1-CG2 3.9Å; L100-I120 HydrophobicContact CD2-CG2 4.16Å; D104-I120 HydrophobicContact CB-CG2 3.88Å; L107-I120 HydrophobicContact CB-CG1 4.42Å; L107-I120 HydrophobicContact CD2-CD1 3.68Å; L107-I120 HydrophobicContact CD2-CG1 4.18Å; L107-I120 HydrophobicContact CG-CD1 3.95Å; L107-I120 HydrophobicContact CG-CG1 4.02Å; A108-I120 HydrophobicContact CB-CB 4.04Å; A108-I120 HydrophobicContact CB-CG1 4.18Å; L111-I120 HydrophobicContact CD1-CD1 3.89Å; L111-I120 HydrophobicContact CD1-CG1 4.31Å; N118-I120 VanDerWaalsContact C-N 3.28Å; N118-I120 PolarHBondContact O-N 3.19Å; N118-I120 PolarHBondContact OD1-N 3.07Å; I120-S122 VanDerWaalsContact C-N 3.3Å; I120-S122 PolarHBondContact O-N 3.49Å; I120-D123 PolarHBondContact O-N 3.19Å; I120-R124 VanDerWaalsContact O-CG 3.22Å; I120-R124 WeakPolarHBondContact O-CG 3.3Å; I120-R124 PolarHBondContact O-N 3.16Å; I120-R124 VanDerWaalsContact O-N 3.1Å
121	A	97.7	Very high	96.1	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.008	10%	0.101	C	C	.	.	H	α-helix	trans	-59.8	-40.9	174.5	0	0	0	0	0	112.1	V98 L100 N118 I125 F279	V98-A121 HydrophobicContact CB-CB 4.09Å; V98-A121 HydrophobicContact CG1-CB 3.99Å; V98-A121 HydrophobicContact CG2-CB 4.47Å; L100-A121 HydrophobicContact CD1-CB 4.24Å; N118-A121 HydrophobicContact CB-CB 4.03Å; N118-A121 VanDerWaalsContact CG-CB 3.42Å; N118-A121 WeakPolarHBondContact ND2-CB 3.46Å; N118-A121 PolarHBondContact O-N 2.83Å; N118-A121 PolarHBondContact OD1-N 3.49Å; A121-I125 WeakPolarHBondContact O-CD1 3.29Å; A121-I125 WeakPolarHBondContact O-CG1 3.42Å; A121-F279 HydrophobicContact CB-CD2 3.87Å; A121-F279 HydrophobicContact CB-CE2 4.46Å
122	S	98	Very high	96.1	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-62.3	-43	175.6	-170	0	0	0	0	112.7	N118 I119 I120 R124 I125 S163 R167 F279	N118-S122 PolarHBondContact O-N 2.76Å; N118-S122 VanDerWaalsContact O-N 3.13Å; I119-S122 WeakPolarHBondContact O-CB 3.46Å; I119-S122 PolarHBondContact O-N 3.46Å; I120-S122 VanDerWaalsContact C-N 3.3Å; I120-S122 PolarHBondContact O-N 3.49Å; S122-R124 VanDerWaalsContact C-N 3.29Å; S122-R124 PolarHBondContact O-N 3.43Å; S122-I125 PolarHBondContact O-N 2.65Å; S122-S163 VanDerWaalsContact CB-OG 3.27Å; S122-S163 WeakPolarHBondContact CB-OG 3.46Å; S122-S163 WeakPolarHBondContact OG-CB 3.15Å; S122-S163 PolarHBondContact OG-OG 2.79Å; S122-R167 PolarHBondContact O-NH1 3.34Å; S122-R167 PolarHBondContact OG-NH1 2.85Å; S122-R167 VanDerWaalsContact OG-NH1 3.14Å; S122-R167 PolarHBondContact OG-NH2 2.71Å; S122-F279 VanDerWaalsContact CB-CZ 3.42Å; S122-F279 WeakPolarHBondContact OG-CE1 3.32Å
123	D	98.1	Very high	96.2	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.011	13%	0.127	C	C	.	.	H	α-helix	trans	-71.9	-24	-175.5	-77.2	-5.2	0	0	0	112.8	D86 I119 I120 I125 S163	D86-D123 CarbonylContact C-O 3.2Å; D86-D123 VanDerWaalsContact C-O 3.28Å; D86-D123 PolarHBondContact N-O 3.34Å; D86-D123 VanDerWaalsContact N-O 3.08Å; I119-D123 WeakPolarHBondContact O-CB 3.46Å; I119-D123 VanDerWaalsContact O-CG 3.26Å; I119-D123 PolarHBondContact O-N 3.3Å; I120-D123 PolarHBondContact O-N 3.19Å; D123-I125 VanDerWaalsContact C-N 3.35Å; D123-S163 WeakPolarHBondContact OD1-CB 3.28Å; D123-S163 PolarHBondContact OD1-OG 2.78Å
124	R	97.7	Very high	96.3	Very high	24 Å²	24	21.6 Å²	21.6	9%	0.091	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-13.6	173.7	-60.4	-71.7	178	-96.4	-4.1	112.9	R84 D86 P87 R88 M91 L100 D104 I120 S122	R84-R124 PolarHBondContact O-NH1 2.89Å; D86-R124 IonicContact OD2-CZ 3.8Å; D86-R124 IonicContact OD2-NH1 2.95Å; P87-R124 WeakPolarHBondContact CA-O 3.08Å; R88-R124 PolarHBondContact N-O 3.31Å; M91-R124 WeakPolarHBondContact CB-O 3.37Å; M91-R124 HydrophobicContact CG-CB 4.3Å; L100-R124 HydrophobicContact CD2-CG 4.13Å; D104-R124 IonicContact OD1-CZ 3.66Å; D104-R124 IonicContact OD1-NE 3.81Å; D104-R124 IonicContact OD1-NH2 2.64Å; D104-R124 PolarHBondContact OD1-NH2 3.01Å; D104-R124 IonicContact OD2-CZ 3.42Å; D104-R124 IonicContact OD2-NE 2.7Å; D104-R124 PolarHBondContact OD2-NE 3.1Å; D104-R124 VanDerWaalsContact OD2-NE 3.15Å; D104-R124 IonicContact OD2-NH2 3.35Å; D104-R124 PolarHBondContact OD2-NH2 3.35Å; I120-R124 VanDerWaalsContact O-CG 3.22Å; I120-R124 WeakPolarHBondContact O-CG 3.3Å; I120-R124 PolarHBondContact O-N 3.16Å; I120-R124 VanDerWaalsContact O-N 3.1Å; S122-R124 VanDerWaalsContact C-N 3.29Å; S122-R124 PolarHBondContact O-N 3.43Å
125	I	98.2	Very high	96.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	-85.5	128.3	180	-69.6	164.1	0	0	0	110.5	V98 A121 S122 D123 L127 R129 F279	V98-I125 HydrophobicContact CG2-CD1 3.54Å; V98-I125 HydrophobicContact CG2-CG1 3.56Å; A121-I125 WeakPolarHBondContact O-CD1 3.29Å; A121-I125 WeakPolarHBondContact O-CG1 3.42Å; S122-I125 PolarHBondContact O-N 2.65Å; D123-I125 VanDerWaalsContact C-N 3.35Å; I125-L127 PolarHBondContact O-N 3.18Å; I125-R129 HydrophobicContact CG2-CB 3.92Å; I125-R129 VanDerWaalsContact CG2-CD 3.47Å; I125-R129 HydrophobicContact CG2-CG 3.63Å; I125-F279 HydrophobicContact CD1-CB 3.41Å; I125-F279 VanDerWaalsContact CD1-CB 3.41Å; I125-F279 HydrophobicContact CD1-CD1 4.06Å; I125-F279 HydrophobicContact CD1-CG 3.91Å
126	P	98.1	Very high	96.4	Very high	27 Å²	27	27 Å²	27	18%	0.175	14%	0.139	C	C	.	.			trans	-55.6	134.6	169	-24.4	34.5	0	0	0	112.3	P87 M91 N128 R129	P87-P126 HydrophobicContact CB-CB 4.4Å; P87-P126 HydrophobicContact CB-CG 4.25Å; M91-P126 WeakPolarHBondContact O-CD 3.12Å; P126-N128 PolarHBondContact O-N 3.21Å; P126-R129 WeakPolarHBondContact O-CB 3.4Å; P126-R129 PolarHBondContact O-N 3.05Å
127	L	97.5	Very high	96.5	Very high	15 Å²	15	28.9 Å²	28.9	8%	0.079	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-23.2	-178	-58.2	172.1	0	0	0	113.4	F85 I125 M166 R167 L170 Y203	F85-L127 HydrophobicContact CD2-CD2 4.42Å; F85-L127 HydrophobicContact CE1-CD1 4.14Å; F85-L127 HydrophobicContact CE1-CG 4.28Å; F85-L127 HydrophobicContact CE2-CD1 4.46Å; F85-L127 HydrophobicContact CE2-CD2 3.66Å; F85-L127 HydrophobicContact CE2-CG 3.81Å; F85-L127 HydrophobicContact CZ-CD1 3.83Å; F85-L127 HydrophobicContact CZ-CD2 3.87Å; F85-L127 HydrophobicContact CZ-CG 3.47Å; F85-L127 VanDerWaalsContact CZ-CG 3.47Å; I125-L127 PolarHBondContact O-N 3.18Å; L127-M166 HydrophobicContact CD1-CB 3.82Å; L127-M166 HydrophobicContact CD2-CB 3.84Å; L127-M166 HydrophobicContact CG-CB 4.42Å; L127-R167 HydrophobicContact CD2-CB 4.15Å; L127-L170 HydrophobicContact CB-CD1 3.42Å; L127-L170 VanDerWaalsContact CB-CD1 3.42Å; L127-L170 HydrophobicContact CD1-CD1 3.93Å; L127-L170 HydrophobicContact CG-CD1 4.31Å; L127-Y203 VanDerWaalsContact CD1-OH 3.26Å; L127-Y203 WeakPolarHBondContact CD1-OH 3Å
128	N	95.8	Very high	96.5	Very high	112 Å²	112	30.6 Å²	30.6	60%	0.599	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.3	26.3	177.5	66.2	-18	0	0	0	112.9	P126 S130	P126-N128 PolarHBondContact O-N 3.21Å; N128-S130 PolarHBondContact O-N 2.72Å
129	R	96.9	Very high	96.5	Very high	10 Å²	10	30.2 Å²	30.2	4%	0.038	17%	0.172	C	C	.	.			trans	-52.7	142.8	177.5	65.1	151.9	175.5	-172.2	3	112	G92 I125 P126 R175 E246 F279	G92-R129 WeakPolarHBondContact O-CD 3.32Å; G92-R129 PolarHBondContact O-NH1 2.84Å; I125-R129 HydrophobicContact CG2-CB 3.92Å; I125-R129 VanDerWaalsContact CG2-CD 3.47Å; I125-R129 HydrophobicContact CG2-CG 3.63Å; P126-R129 WeakPolarHBondContact O-CB 3.4Å; P126-R129 PolarHBondContact O-N 3.05Å; R129-R175 PolarHBondContact O-NH2 2.87Å; R129-E246 IonicContact CZ-OE1 3.97Å; R129-E246 IonicContact CZ-OE2 3.8Å; R129-E246 IonicContact NE-OE1 3.87Å; R129-E246 PolarHBondContact NE-OE1 2.78Å; R129-E246 IonicContact NE-OE2 3.74Å; R129-E246 PolarHBondContact NE-OE2 2.52Å; R129-E246 VanDerWaalsContact NH2-CD 3.33Å; R129-E246 IonicContact NH2-OE1 3.58Å; R129-E246 PolarHBondContact NH2-OE1 2.86Å; R129-E246 IonicContact NH2-OE2 2.76Å; R129-E246 PolarHBondContact NH2-OE2 2.65Å; R129-F279 PolarHBondContact NH1-O 2.83Å; R129-F279 PolarHBondContact NH2-O 3.02Å
130	S	96.7	Very high	96.4	Very high	43 Å²	43	36.3 Å²	36.3	30%	0.301	19%	0.194	S	C	.	.			trans	-68	151.2	170.2	53	0	0	0	0	110.8	K93 D94 G95 N128	K93-S130 WeakPolarHBondContact CG-OG 3.48Å; D94-S130 WeakPolarHBondContact CA-O 3.44Å; D94-S130 PolarHBondContact N-O 3.25Å; D94-S130 VanDerWaalsContact N-O 3.1Å; D94-S130 PolarHBondContact N-OG 2.94Å; D94-S130 WeakPolarHBondContact OD1-CB 3.45Å; D94-S130 PolarHBondContact OD1-OG 3.49Å; G95-S130 PolarHBondContact N-O 3.48Å; G95-S130 VanDerWaalsContact N-O 3.15Å; N128-S130 PolarHBondContact O-N 2.72Å
131	L	97.6	Very high	96.3	Very high	16 Å²	16	40.5 Å²	40.5	8%	0.084	22%	0.223	C	C	.	.			trans	-122.2	153.4	174.3	-68.4	-175.5	0	0	0	109.6	R175 E246 Y281	L131-R175 VanDerWaalsContact CD1-NH1 3.27Å; L131-E246 HydrophobicContact CD1-CB 3.93Å; L131-Y281 HydrophobicContact CD1-CD2 3.97Å; L131-Y281 HydrophobicContact CD1-CE2 3.62Å; L131-Y281 HydrophobicContact CD2-CD2 3.63Å; L131-Y281 HydrophobicContact CD2-CE2 4.18Å; L131-Y281 HydrophobicContact CD2-CG 4.05Å; L131-Y281 HydrophobicContact CG-CD2 4.37Å; L131-Y281 HydrophobicContact CG-CE2 4.47Å
132	P	95.7	Very high	96.1	Very high	45 Å²	45	44.6 Å²	44.6	29%	0.292	24%	0.241	S	C	.	.			trans	-71.9	141.7	173.4	29.6	-29.6	0	0	0	110.2	D94 V134 Y281	D94-P132 WeakPolarHBondContact O-CD 3.26Å; P132-V134 HydrophobicContact CB-CG1 4.21Å; P132-V134 HydrophobicContact CG-CG1 3.91Å; P132-V134 PolarHBondContact O-N 2.97Å; P132-V134 VanDerWaalsContact O-N 3.07Å; P132-Y281 HydrophobicContact CG-CD1 4.09Å
133	D	95.5	Very high	95.9	Very high	65 Å²	65	51 Å²	51	35%	0.348	28%	0.28	S	S	.	.			trans	-77.3	93.6	168.1	-171.5	-7.8	0	0	0	109.6	R135 R140	D133-R135 VanDerWaalsContact C-N 3.28Å; D133-R135 PolarHBondContact O-N 3.11Å; D133-R135 VanDerWaalsContact OD1-CB 3.26Å; D133-R135 WeakPolarHBondContact OD1-CB 3.38Å; D133-R135 WeakPolarHBondContact OD1-CG 3.23Å; D133-R135 IonicContact OD1-CZ 2.91Å; D133-R135 PolarHBondContact OD1-N 2.88Å; D133-R135 IonicContact OD1-NE 3.04Å; D133-R135 PolarHBondContact OD1-NE 3.03Å; D133-R135 IonicContact OD1-NH2 3.36Å; D133-R135 IonicContact OD2-CZ 2.75Å; D133-R135 IonicContact OD2-NE 3.41Å; D133-R135 PolarHBondContact OD2-NE 3.29Å; D133-R135 IonicContact OD2-NH2 3.47Å; D133-R135 PolarHBondContact OD2-NH2 2.87Å; D133-R140 WeakPolarHBondContact OD2-CD 3.4Å; D133-R140 WeakPolarHBondContact OD2-CG 3.2Å
134	V	94.1	Very high	95.8	Very high	25 Å²	25	54.3 Å²	54.3	15%	0.152	29%	0.293	C	S	.	.			trans	-83.9	-1.2	-176.7	-62.6	0	0	0	0	113.8	P132 D272 Y281 K283 H374	P132-V134 HydrophobicContact CB-CG1 4.21Å; P132-V134 HydrophobicContact CG-CG1 3.91Å; P132-V134 PolarHBondContact O-N 2.97Å; P132-V134 VanDerWaalsContact O-N 3.07Å; V134-D272 WeakPolarHBondContact CG2-OD2 3.21Å; V134-Y281 HydrophobicContact CG1-CD1 4.42Å; V134-Y281 HydrophobicContact CG1-CE1 4.23Å; V134-Y281 HydrophobicContact CG2-CE1 4.23Å; V134-K283 HydrophobicContact CB-CB 3.9Å; V134-K283 HydrophobicContact CB-CD 4.04Å; V134-K283 HydrophobicContact CB-CG 3.76Å; V134-K283 HydrophobicContact CG1-CB 4Å; V134-K283 HydrophobicContact CG1-CG 4.41Å; V134-K283 HydrophobicContact CG2-CB 4.4Å; V134-K283 HydrophobicContact CG2-CG 4.03Å; V134-K283 WeakPolarHBondContact O-CD 3.39Å; V134-K283 WeakPolarHBondContact O-CE 3.3Å; V134-K283 PolarHBondContact O-NZ 2.95Å; V134-H374 HydrophobicContact CG2-CB 4.32Å; V134-H374 WeakPolarHBondContact CG2-ND1 3.16Å
135	R	94.2	Very high	95.5	Very high	43 Å²	43	56.8 Å²	56.8	16%	0.162	31%	0.314	C	S	.	.	S	Bend	trans	-65.7	147.7	-178.7	-64.1	175.5	-61.4	173.7	0.3	110.8	D133 C139 R140 D249 C372	D133-R135 VanDerWaalsContact C-N 3.28Å; D133-R135 PolarHBondContact O-N 3.11Å; D133-R135 VanDerWaalsContact OD1-CB 3.26Å; D133-R135 WeakPolarHBondContact OD1-CB 3.38Å; D133-R135 WeakPolarHBondContact OD1-CG 3.23Å; D133-R135 IonicContact OD1-CZ 2.91Å; D133-R135 PolarHBondContact OD1-N 2.88Å; D133-R135 IonicContact OD1-NE 3.04Å; D133-R135 PolarHBondContact OD1-NE 3.03Å; D133-R135 IonicContact OD1-NH2 3.36Å; D133-R135 IonicContact OD2-CZ 2.75Å; D133-R135 IonicContact OD2-NE 3.41Å; D133-R135 PolarHBondContact OD2-NE 3.29Å; D133-R135 IonicContact OD2-NH2 3.47Å; D133-R135 PolarHBondContact OD2-NH2 2.87Å; R135-C139 HydrophobicContact CB-CB 3.96Å; R135-R140 HydrophobicContact CB-CG 4Å; R135-R140 PolarHBondContact O-NE 2.74Å; R135-D249 PolarHBondContact NE-O 3.05Å; R135-D249 PolarHBondContact NH1-O 3.3Å; R135-C372 VanDerWaalsContact CD-O 3.3Å; R135-C372 WeakPolarHBondContact CD-O 3.31Å
136	R	93	Very high	95.2	Very high	88 Å²	88	63.1 Å²	63.1	33%	0.332	35%	0.346	S	S	.	.			trans	-60.1	152.7	171.9	-65	-177	177.5	-143.8	2.6	110.2	A138 C139 R140 D286	R136-A138 VanDerWaalsContact C-N 3.25Å; R136-A138 PolarHBondContact O-N 3.29Å; R136-C139 WeakPolarHBondContact O-CB 2.92Å; R136-C139 PolarHBondContact O-N 2.98Å; R136-R140 PolarHBondContact O-N 2.96Å; R136-R140 VanDerWaalsContact O-N 3.17Å; R136-D286 IonicContact CZ-OD1 3.89Å; R136-D286 IonicContact CZ-OD2 2.96Å; R136-D286 IonicContact NE-OD1 2.78Å; R136-D286 IonicContact NE-OD2 2.85Å; R136-D286 PolarHBondContact NE-OD2 3.07Å; R136-D286 IonicContact NH2-OD1 3.03Å; R136-D286 PolarHBondContact NH2-OD1 3.49Å; R136-D286 IonicContact NH2-OD2 3.2Å; R136-D286 PolarHBondContact NH2-OD2 3.43Å
137	A	95.1	Very high	94.9	Very high	67 Å²	67	70.2 Å²	70.2	55%	0.554	38%	0.377	S	S	*	.	H	α-helix	trans	-52.4	-43.9	178.6	0	0	0	0	0	112.5	C139 R140 S141	A137-C139 VanDerWaalsContact C-N 3.28Å; A137-C139 PolarHBondContact O-N 3.05Å; A137-R140 PolarHBondContact O-N 2.85Å; A137-R140 VanDerWaalsContact O-N 3.09Å; A137-S141 PolarHBondContact O-N 2.94Å; A137-S141 VanDerWaalsContact O-N 3.16Å; A137-S141 PolarHBondContact O-OG 3.3Å
138	A	95.3	Very high	95	Very high	36 Å²	36	70.4 Å²	70.4	30%	0.298	38%	0.378	S	S	.	.	H	α-helix	trans	-60.5	-32.5	176.8	0	0	0	0	0	113.9	R136 S141 K142 P315 T316	R136-A138 VanDerWaalsContact C-N 3.25Å; R136-A138 PolarHBondContact O-N 3.29Å; A138-S141 WeakPolarHBondContact CA-OG 3.47Å; A138-S141 PolarHBondContact O-OG 2.69Å; A138-K142 PolarHBondContact O-N 2.78Å; A138-P315 HydrophobicContact CB-CG 3.97Å; A138-T316 HydrophobicContact CB-CG2 3.5Å
139	C	96.4	Very high	95.1	Very high	2 Å²	2	66.4 Å²	66.4	1%	0.014	36%	0.358	C	S	.	.	H	α-helix	trans	-72.9	-36.2	175	-75.2	0	0	0	0	112.1	R135 R136 A137 S141 K142 C372	R135-C139 HydrophobicContact CB-CB 3.96Å; R136-C139 WeakPolarHBondContact O-CB 2.92Å; R136-C139 PolarHBondContact O-N 2.98Å; A137-C139 VanDerWaalsContact C-N 3.28Å; A137-C139 PolarHBondContact O-N 3.05Å; C139-S141 VanDerWaalsContact C-N 3.28Å; C139-S141 PolarHBondContact O-N 3.03Å; C139-K142 PolarHBondContact O-N 2.82Å; C139-C372 WeakPolarHBondContact CA-SG 3.22Å; C139-C372 HydrophobicContact CB-CB 3.57Å; C139-C372 WeakPolarHBondContact CB-SG 3.47Å; C139-C372 WeakPolarHBondContact SG-CA 3.27Å; C139-C372 WeakPolarHBondContact SG-CB 3.14Å; C139-C372 CovalentContact SG-SG 2.04Å; C139-C372 PolarHBondContact SG-SG 3.36Å
140	R	95.6	Very high	95.2	Very high	141 Å²	141	67.5 Å²	67.5	53%	0.532	37%	0.366	S	S	.	.	H	α-helix	trans	-69.2	-27.1	178.2	-66.7	-176.7	-75.4	165.8	-3	112.7	D133 R135 R136 A137	D133-R140 WeakPolarHBondContact OD2-CD 3.4Å; D133-R140 WeakPolarHBondContact OD2-CG 3.2Å; R135-R140 HydrophobicContact CB-CG 4Å; R135-R140 PolarHBondContact O-NE 2.74Å; R136-R140 PolarHBondContact O-N 2.96Å; R136-R140 VanDerWaalsContact O-N 3.17Å; A137-R140 PolarHBondContact O-N 2.85Å; A137-R140 VanDerWaalsContact O-N 3.09Å
141	S	94.9	Very high	95.3	Very high	89 Å²	89	65.5 Å²	65.5	62%	0.622	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-6.2	174.5	50.2	0	0	0	0	114.2	A137 A138 C139	A137-S141 PolarHBondContact O-N 2.94Å; A137-S141 VanDerWaalsContact O-N 3.16Å; A137-S141 PolarHBondContact O-OG 3.3Å; A138-S141 WeakPolarHBondContact CA-OG 3.47Å; A138-S141 PolarHBondContact O-OG 2.69Å; C139-S141 VanDerWaalsContact C-N 3.28Å; C139-S141 PolarHBondContact O-N 3.03Å
142	K	94	Very high	95.4	Very high	87 Å²	87	64.7 Å²	64.7	38%	0.378	35%	0.348	S	S	.	.			trans	-77	135.2	177.9	-87.5	-169	164.5	-175.4	0	110.9	A138 C139 Y144 T316	A138-K142 PolarHBondContact O-N 2.78Å; C139-K142 PolarHBondContact O-N 2.82Å; K142-Y144 HydrophobicContact CB-CE2 4.3Å; K142-T316 HydrophobicContact CD-CG2 4.37Å; K142-T316 WeakPolarHBondContact CE-OG1 3.3Å; K142-T316 PolarHBondContact NZ-OG1 2.92Å
143	T	94.4	Very high	95.5	Very high	134 Å²	134	62.6 Å²	62.6	82%	0.822	33%	0.334	S	S	*	.			trans	-108.9	142	170.3	55.3	0	0	0	0	109.6
144	Y	95.2	Very high	95.7	Very high	72 Å²	72	59.5 Å²	59.5	28%	0.282	32%	0.318	S	S	.	.			trans	-111.3	156.3	177.4	-61.2	-82.4	0	0	0	110	K142 E253 P254 A257	K142-Y144 HydrophobicContact CB-CE2 4.3Å; Y144-E253 HydrophobicContact CD2-CB 3.64Å; Y144-E253 HydrophobicContact CE2-CB 4.26Å; Y144-E253 HydrophobicContact CG-CB 3.81Å; Y144-P254 HydrophobicContact CE1-CB 4.2Å; Y144-P254 HydrophobicContact CE1-CG 4.41Å; Y144-P254 HydrophobicContact CE2-CG 4.01Å; Y144-P254 WeakPolarHBondContact OH-CB 3.36Å; Y144-P254 WeakPolarHBondContact OH-CG 3.32Å; Y144-A257 HydrophobicContact CD1-CB 3.57Å; Y144-A257 HydrophobicContact CE1-CB 4.11Å
145	S	92	Very high	95.9	Very high	75 Å²	75	58.3 Å²	58.3	52%	0.524	31%	0.31	S	S	.	.			trans	-58.7	148.9	173.2	-175.9	0	0	0	0	110.6	E147 L148	S145-E147 VanDerWaalsContact C-N 3.33Å; S145-E147 PolarHBondContact OG-N 2.79Å; S145-L148 WeakPolarHBondContact O-CG 3.5Å
146	I	90.3	Very high	96.1	Very high	134 Å²	134	56.9 Å²	56.9	69%	0.687	31%	0.307	S	S	*	.	S	Bend	trans	-72	-35.2	171.1	-60.3	173.7	0	0	0	110	L148 H179	I146-L148 PolarHBondContact O-N 2.92Å; I146-L148 VanDerWaalsContact O-N 3.16Å; I146-H179 PolarHBondContact O-NE2 3.42Å; I146-H179 VanDerWaalsContact O-NE2 3.15Å
147	E	93.5	Very high	96.3	Very high	176 Å²	176	52.9 Å²	52.9	82%	0.822	29%	0.291	S	S	*	.			trans	-83.6	85.1	178.8	-63.1	-175.3	170	0	0	110.1	S145	S145-E147 VanDerWaalsContact C-N 3.33Å; S145-E147 PolarHBondContact OG-N 2.79Å
148	L	98.2	Very high	96.3	Very high	18 Å²	18	50.4 Å²	50.4	9%	0.094	27%	0.268	C	S	.	.			trans	-117.7	153.4	172.5	-67.8	176.9	0	0	0	109.9	S145 I146 L180 E253 L256 A257	S145-L148 WeakPolarHBondContact O-CG 3.5Å; I146-L148 PolarHBondContact O-N 2.92Å; I146-L148 VanDerWaalsContact O-N 3.16Å; L148-L180 HydrophobicContact CB-CD1 4.13Å; L148-L180 HydrophobicContact CB-CD2 3.71Å; L148-L180 HydrophobicContact CD1-CD1 4.02Å; L148-L180 WeakPolarHBondContact O-CD2 3.48Å; L148-E253 HydrophobicContact CD1-CB 4.29Å; L148-L256 HydrophobicContact CB-CB 4.2Å; L148-L256 HydrophobicContact CD1-CB 4.22Å; L148-A257 HydrophobicContact CD1-CB 4.37Å; L148-A257 HydrophobicContact CD2-CB 3.87Å
149	P	98.5	Very high	96.3	Very high	29 Å²	29	49.7 Å²	49.7	19%	0.188	26%	0.26	C	S	.	.			trans	-60.8	145.5	176.6	26.1	-35.1	0	0	0	111	D236 V237 L256	P149-D236 HydrophobicContact CB-CB 3.78Å; P149-V237 HydrophobicContact CB-CG2 4.02Å; P149-V237 HydrophobicContact CG-CG2 3.94Å; P149-L256 HydrophobicContact CG-CB 4.37Å; P149-L256 WeakPolarHBondContact O-CD1 3.24Å
150	T	98.7	Very high	96.3	Very high	33 Å²	33	49.6 Å²	49.6	20%	0.202	26%	0.259	C	S	.	.			trans	-74.5	154.7	177.4	64.1	0	0	0	0	111.2	L180 D236 V237	T150-L180 CarbonylContact C-O 3.44Å; T150-L180 WeakPolarHBondContact CA-O 3.49Å; T150-D236 PolarHBondContact N-OD2 3.26Å; T150-D236 WeakPolarHBondContact O-CB 3.28Å; T150-D236 PolarHBondContact O-N 2.86Å; T150-D236 PolarHBondContact OG1-N 3.35Å; T150-D236 PolarHBondContact OG1-OD2 3.42Å; T150-V237 PolarHBondContact O-N 2.99Å
151	T	98.9	Very high	96.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	139.1	176.7	-166.4	0	0	0	0	113.7	V153 L180 K182 V237 T239 L252	T151-V153 HydrophobicContact CG2-CG2 4.08Å; T151-L180 PolarHBondContact N-O 3.34Å; T151-K182 VanDerWaalsContact O-CB 3.26Å; T151-K182 WeakPolarHBondContact O-CB 3.34Å; T151-K182 PolarHBondContact O-N 2.92Å; T151-V237 CarbonylContact C-O 3.55Å; T151-V237 WeakPolarHBondContact CA-O 3.46Å; T151-V237 PolarHBondContact OG1-O 3.09Å; T151-T239 WeakPolarHBondContact OG1-CB 3.09Å; T151-T239 PolarHBondContact OG1-OG1 3.05Å; T151-L252 HydrophobicContact CG2-CD1 3.91Å; T151-L252 HydrophobicContact CG2-CD2 3.95Å
152	S	98.9	Very high	96.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	118.6	161	-63.7	0	0	0	0	108.5	E183 T234 G235 V237 T239	S152-E183 WeakPolarHBondContact CA-O 3.35Å; S152-E183 WeakPolarHBondContact OG-CG 3.33Å; S152-E183 PolarHBondContact OG-OE1 2.9Å; S152-T234 PolarHBondContact OG-N 2.85Å; S152-G235 PolarHBondContact OG-N 3.23Å; S152-V237 PolarHBondContact N-O 3.28Å; S152-T239 PolarHBondContact O-N 2.95Å
153	V	98.9	Very high	96.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	117.9	177.5	179.8	0	0	0	0	109.2	T151 I155 V172 L181 E183 I184 I185 T239 L241	T151-V153 HydrophobicContact CG2-CG2 4.08Å; V153-I155 HydrophobicContact CG1-CD1 4.33Å; V153-I155 HydrophobicContact CG1-CG1 4.17Å; V153-V172 HydrophobicContact CB-CG1 4.35Å; V153-V172 HydrophobicContact CG1-CG1 4.28Å; V153-V172 HydrophobicContact CG1-CG2 4.24Å; V153-V172 HydrophobicContact CG2-CG1 3.98Å; V153-L181 HydrophobicContact CB-CD1 4.38Å; V153-L181 HydrophobicContact CG2-CD1 3.62Å; V153-E183 PolarHBondContact N-O 3.48Å; V153-I184 HydrophobicContact CB-CG1 4.42Å; V153-I184 CarbonylContact O-C 3.54Å; V153-I184 WeakPolarHBondContact O-CA 3.5Å; V153-I185 PolarHBondContact O-N 2.62Å; V153-T239 CarbonylContact C-O 3.59Å; V153-T239 WeakPolarHBondContact CA-O 3.5Å; V153-T239 HydrophobicContact CG2-CG2 4.44Å; V153-L241 HydrophobicContact CG1-CD1 3.74Å; V153-L241 HydrophobicContact CG1-CG 4.18Å
154	I	98.9	Very high	97	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	117.5	-176.8	-60.2	158.4	0	0	0	108.5	I185 V187 A230 A233 L238 T239 F240 L241	I154-I185 HydrophobicContact CG1-CB 4.44Å; I154-V187 HydrophobicContact CG2-CG2 4.17Å; I154-A230 HydrophobicContact CD1-CB 4.15Å; I154-A233 HydrophobicContact CD1-CB 4.4Å; I154-L238 HydrophobicContact CD1-CB 4.38Å; I154-L238 HydrophobicContact CD1-CD2 4.16Å; I154-T239 PolarHBondContact N-O 3.28Å; I154-F240 HydrophobicContact CB-CD1 3.96Å; I154-F240 HydrophobicContact CB-CE1 4.15Å; I154-F240 HydrophobicContact CD1-CD1 4.16Å; I154-F240 HydrophobicContact CD1-CE1 3.58Å; I154-F240 HydrophobicContact CD1-CZ 3.86Å; I154-F240 HydrophobicContact CG1-CE1 4.49Å; I154-F240 HydrophobicContact CG2-CD1 4.05Å; I154-F240 HydrophobicContact CG2-CE1 4.11Å; I154-L241 PolarHBondContact O-N 3.09Å
155	I	98.8	Very high	97.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	110.7	178.5	-60.5	164	0	0	0	108.1	V153 L165 T168 V169 I184 I185 L186 V187 L241	V153-I155 HydrophobicContact CG1-CD1 4.33Å; V153-I155 HydrophobicContact CG1-CG1 4.17Å; I155-L165 HydrophobicContact CG2-CD1 4.04Å; I155-T168 HydrophobicContact CD1-CG2 3.9Å; I155-T168 HydrophobicContact CG1-CG2 4.46Å; I155-V169 HydrophobicContact CD1-CG2 4.09Å; I155-I184 HydrophobicContact CD1-CG2 3.97Å; I155-I185 PolarHBondContact N-O 2.77Å; I155-L186 HydrophobicContact CB-CD2 3.85Å; I155-L186 HydrophobicContact CD1-CD2 3.97Å; I155-L186 HydrophobicContact CG1-CD2 4.44Å; I155-L186 HydrophobicContact CG2-CD2 4.31Å; I155-L186 WeakPolarHBondContact O-CA 3.33Å; I155-V187 PolarHBondContact O-N 3.03Å; I155-L241 WeakPolarHBondContact CA-O 3.12Å; I155-L241 HydrophobicContact CG1-CB 4.15Å
156	V	97.7	Very high	97.4	Very high	13 Å²	13	22.1 Å²	22.1	8%	0.079	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	136.4	174.4	174.6	0	0	0	0	109.4	V187 D189 L222 A225 R226 S243	V156-V187 HydrophobicContact CG2-CB 4.09Å; V156-V187 HydrophobicContact CG2-CG2 4.45Å; V156-D189 HydrophobicContact CG1-CB 4.47Å; V156-L222 HydrophobicContact CB-CD1 4.06Å; V156-L222 HydrophobicContact CG1-CD1 4.03Å; V156-A225 HydrophobicContact CB-CB 4.28Å; V156-A225 HydrophobicContact CG1-CB 3.42Å; V156-A225 VanDerWaalsContact CG1-CB 3.42Å; V156-A225 HydrophobicContact CG2-CB 3.82Å; V156-R226 HydrophobicContact CG2-CB 4.39Å; V156-R226 HydrophobicContact CG2-CG 3.61Å; V156-S243 WeakPolarHBondContact O-CB 3.28Å
157	F	97.4	Very high	97.8	Very high	3 Å²	3	15.9 Å²	15.9	1%	0.013	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	151.2	174.6	69.2	-79.5	0	0	0	111.8	E160 L165 L186 V187 D188 D189 L196 L200	F157-E160 HydrophobicContact CB-CB 3.96Å; F157-L165 HydrophobicContact CB-CD1 4.1Å; F157-L165 HydrophobicContact CD1-CD1 4.08Å; F157-L165 HydrophobicContact CD1-CD2 4.31Å; F157-L165 HydrophobicContact CD2-CD2 3.91Å; F157-L165 HydrophobicContact CE1-CD2 4.43Å; F157-L165 HydrophobicContact CE2-CD2 4.02Å; F157-L165 HydrophobicContact CG-CD1 4.05Å; F157-L165 HydrophobicContact CG-CD2 4.04Å; F157-L165 HydrophobicContact CZ-CD2 4.27Å; F157-L186 HydrophobicContact CE1-CB 3.9Å; F157-V187 VanDerWaalsContact CD1-O 3.31Å; F157-V187 WeakPolarHBondContact CD1-O 3.2Å; F157-V187 PolarHBondContact N-O 2.92Å; F157-D188 HydrophobicContact CE1-CB 3.93Å; F157-D188 HydrophobicContact CE2-CB 3.94Å; F157-D188 HydrophobicContact CZ-CB 3.46Å; F157-D188 VanDerWaalsContact CZ-CB 3.46Å; F157-D189 PolarHBondContact O-N 3.33Å; F157-L196 HydrophobicContact CD2-CD1 4.15Å; F157-L196 HydrophobicContact CD2-CD2 4.42Å; F157-L196 HydrophobicContact CE2-CB 4.29Å; F157-L196 HydrophobicContact CE2-CD1 4.07Å; F157-L196 HydrophobicContact CE2-CD2 4.07Å; F157-L196 HydrophobicContact CE2-CG 4.37Å; F157-L200 HydrophobicContact CE2-CD2 4.14Å; F157-L200 HydrophobicContact CZ-CD2 3.64Å
158	H	95.8	Very high	98.1	Very high	16 Å²	16	7.5 Å²	7.5	7%	0.074	4%	0.041	C	C	.	.	S	Bend	trans	-142.2	119.8	168.1	173.8	78.9	0	0	0	108.2	E160 D189 F190 S191 R219 H385 D386	H158-E160 PolarHBondContact O-N 3.15Å; H158-D189 HydrophobicContact CB-CB 4.29Å; H158-D189 PolarHBondContact ND1-O 3.13Å; H158-F190 PolarHBondContact CE1-O 2.78Å; H158-F190 PolarHBondContact ND1-O 3.46Å; H158-S191 WeakPolarHBondContact CA-OG 3.48Å; H158-R219 VanDerWaalsContact CD2-CZ 3.46Å; H158-R219 PolarHBondContact CD2-NH1 2.59Å; H158-R219 PolarHBondContact CE1-NH1 2.85Å; H158-R219 PolarHBondContact NE2-NH1 3.04Å; H158-H385 AromaticContact CD2-ND1 3.75Å; H158-H385 PolarHBondContact O-CE1 3.43Å; H158-H385 PolarHBondContact O-ND1 2.88Å; H158-D386 IonicContact NE2-OD1 3.38Å
159	N	95.4	Very high	98.1	Very high	21 Å²	21	6.7 Å²	6.7	11%	0.112	4%	0.037	C	C	.	.	S	Bend	trans	50	34.3	179.8	-70.8	-16.4	0	0	0	113.7	N115 S191 N192 R193	N115-N159 PolarHBondContact ND2-O 2.83Å; N159-S191 PolarHBondContact N-OG 2.94Å; N159-S191 VanDerWaalsContact OD1-CA 3.24Å; N159-S191 WeakPolarHBondContact OD1-CA 3.49Å; N159-S191 WeakPolarHBondContact OD1-CB 3.35Å; N159-N192 VanDerWaalsContact CG-OD1 3.22Å; N159-N192 PolarHBondContact ND2-OD1 2.98Å; N159-N192 PolarHBondContact OD1-N 2.74Å; N159-N192 PolarHBondContact OD1-OD1 3.42Å; N159-R193 HydrophobicContact CB-CG 4.14Å; N159-R193 PolarHBondContact OD1-N 3.24Å
160	E	97	Very high	98.1	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.033	C	C	.	.			trans	-74	148.9	178.9	-175	61.6	-93.6	0	0	110.9	F117 F157 H158 T164 L165 F195 S243 H244 R380	F117-E160 WeakPolarHBondContact CZ-OE1 3.47Å; F157-E160 HydrophobicContact CB-CB 3.96Å; H158-E160 PolarHBondContact O-N 3.15Å; E160-T164 PolarHBondContact OE1-OG1 3.16Å; E160-T164 VanDerWaalsContact OE1-OG1 3.05Å; E160-L165 HydrophobicContact CG-CB 4.01Å; E160-F195 WeakPolarHBondContact O-CE2 3.49Å; E160-S243 WeakPolarHBondContact CG-OG 3.38Å; E160-S243 PolarHBondContact OE2-OG 2.81Å; E160-H244 IonicContact OE2-CG 2.77Å; E160-H244 IonicContact OE2-ND1 3.75Å; E160-H244 PolarHBondContact OE2-ND1 3.31Å; E160-R380 IonicContact OE1-NH2 2.67Å; E160-R380 PolarHBondContact OE1-NH2 3.01Å; E160-R380 IonicContact OE2-CZ 3.81Å; E160-R380 IonicContact OE2-NH2 3.54Å; E160-R380 PolarHBondContact OE2-NH2 2.75Å
161	A	97.3	Very high	98.1	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	2%	0.024	C	C	.	.			trans	-64	141.6	175.2	0	0	0	0	0	110.9	N115 F117 I119 S163 T164 L165	N115-A161 PolarHBondContact ND2-N 3.31Å; F117-A161 HydrophobicContact CE2-CB 4.07Å; F117-A161 HydrophobicContact CZ-CB 3.93Å; I119-A161 HydrophobicContact CD1-CB 3.79Å; I119-A161 HydrophobicContact CG1-CB 4.08Å; A161-S163 VanDerWaalsContact C-N 3.31Å; A161-S163 PolarHBondContact O-N 2.98Å; A161-T164 PolarHBondContact O-N 3.22Å; A161-T164 PolarHBondContact O-OG1 3.44Å; A161-L165 WeakPolarHBondContact O-CB 3.47Å; A161-L165 PolarHBondContact O-N 3.49Å; A161-L165 VanDerWaalsContact O-N 3.1Å
162	W	98.3	Very high	98.1	Very high	19 Å²	19	4.8 Å²	4.8	7%	0.072	2%	0.024	C	C	.	.	H	α-helix	trans	-54.1	-48	179.7	176.8	-92.9	0	0	0	112.1	F85 T164 L165 M166 F195 L200 Y203	F85-W162 AromaticContact CD1-CD1 3.98Å; F85-W162 AromaticContact CD1-NE1 3.87Å; F85-W162 AromaticContact CG-CD1 3.68Å; W162-T164 PolarHBondContact O-N 3.29Å; W162-L165 PolarHBondContact O-N 2.95Å; W162-M166 HydrophobicContact CD2-CG 3.95Å; W162-M166 HydrophobicContact CE3-CG 4.42Å; W162-M166 HydrophobicContact CG-CG 4.38Å; W162-M166 HydrophobicContact CH2-CG 4.44Å; W162-M166 HydrophobicContact CZ2-CG 3.95Å; W162-M166 HydrophobicContact CZ2-SD 4.45Å; W162-M166 WeakPolarHBondContact O-CB 3.35Å; W162-M166 WeakPolarHBondContact O-CG 3.34Å; W162-M166 PolarHBondContact O-N 3.21Å; W162-F195 HydrophobicContact CB-CD2 4.13Å; W162-F195 HydrophobicContact CB-CE2 4.29Å; W162-F195 HydrophobicContact CE3-CD2 4.22Å; W162-F195 WeakPolarHBondContact CZ3-O 3.31Å; W162-L200 HydrophobicContact CZ3-CB 4.1Å; W162-L200 HydrophobicContact CZ3-CD1 4.18Å; W162-Y203 HydrophobicContact CH2-CD1 4.18Å; W162-Y203 AromaticContact CH2-CG 3.85Å; W162-Y203 HydrophobicContact CH2-CG 3.85Å; W162-Y203 AromaticContact CZ2-CD1 3.92Å; W162-Y203 HydrophobicContact CZ2-CD1 3.92Å; W162-Y203 HydrophobicContact CZ2-CD2 4.02Å; W162-Y203 HydrophobicContact CZ2-CE1 4.46Å; W162-Y203 AromaticContact CZ2-CG 3.67Å; W162-Y203 HydrophobicContact CZ2-CG 3.67Å
163	S	98.3	Very high	98.1	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-65.2	-40.1	-174.9	54.5	0	0	0	0	113.4	S122 D123 A161 R167	S122-S163 VanDerWaalsContact CB-OG 3.27Å; S122-S163 WeakPolarHBondContact CB-OG 3.46Å; S122-S163 WeakPolarHBondContact OG-CB 3.15Å; S122-S163 PolarHBondContact OG-OG 2.79Å; D123-S163 WeakPolarHBondContact OD1-CB 3.28Å; D123-S163 PolarHBondContact OD1-OG 2.78Å; A161-S163 VanDerWaalsContact C-N 3.31Å; A161-S163 PolarHBondContact O-N 2.98Å; S163-R167 WeakPolarHBondContact O-CB 3.24Å; S163-R167 PolarHBondContact O-N 2.8Å; S163-R167 PolarHBondContact O-NH1 3.02Å
164	T	98.3	Very high	98	Very high	1 Å²	1	10.1 Å²	10.1	1%	0.006	5%	0.052	C	C	.	.	H	α-helix	trans	-71.2	-44.7	176.8	46	0	0	0	0	111.8	F117 E160 A161 W162 R167 T168 S243 H244 F279 I378	F117-T164 HydrophobicContact CE1-CG2 4.05Å; F117-T164 HydrophobicContact CE2-CG2 3.87Å; F117-T164 HydrophobicContact CZ-CG2 3.5Å; F117-T164 VanDerWaalsContact CZ-CG2 3.5Å; E160-T164 PolarHBondContact OE1-OG1 3.16Å; E160-T164 VanDerWaalsContact OE1-OG1 3.05Å; A161-T164 PolarHBondContact O-N 3.22Å; A161-T164 PolarHBondContact O-OG1 3.44Å; W162-T164 PolarHBondContact O-N 3.29Å; T164-R167 PolarHBondContact O-N 3.35Å; T164-T168 PolarHBondContact O-N 2.85Å; T164-T168 PolarHBondContact O-OG1 3.09Å; T164-S243 CarbonylContact C-O 3.49Å; T164-S243 VanDerWaalsContact C-O 3.29Å; T164-H244 HydrophobicContact CG2-CB 4.3Å; T164-F279 HydrophobicContact CG2-CE1 4.1Å; T164-F279 HydrophobicContact CG2-CZ 4.4Å; T164-I378 HydrophobicContact CG2-CD1 3.75Å
165	L	98.7	Very high	98	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-61.8	-51.5	179.2	-179.1	62.9	0	0	0	111.1	I155 F157 E160 A161 W162 R167 T168 V169 L196 L200 S243	I155-L165 HydrophobicContact CG2-CD1 4.04Å; F157-L165 HydrophobicContact CB-CD1 4.1Å; F157-L165 HydrophobicContact CD1-CD1 4.08Å; F157-L165 HydrophobicContact CD1-CD2 4.31Å; F157-L165 HydrophobicContact CD2-CD2 3.91Å; F157-L165 HydrophobicContact CE1-CD2 4.43Å; F157-L165 HydrophobicContact CE2-CD2 4.02Å; F157-L165 HydrophobicContact CG-CD1 4.05Å; F157-L165 HydrophobicContact CG-CD2 4.04Å; F157-L165 HydrophobicContact CZ-CD2 4.27Å; E160-L165 HydrophobicContact CG-CB 4.01Å; A161-L165 WeakPolarHBondContact O-CB 3.47Å; A161-L165 PolarHBondContact O-N 3.49Å; A161-L165 VanDerWaalsContact O-N 3.1Å; W162-L165 PolarHBondContact O-N 2.95Å; L165-R167 PolarHBondContact O-N 3.34Å; L165-T168 WeakPolarHBondContact O-CB 3.04Å; L165-T168 PolarHBondContact O-N 3.21Å; L165-V169 WeakPolarHBondContact O-CG2 3.47Å; L165-V169 PolarHBondContact O-N 3.17Å; L165-L196 HydrophobicContact CD2-CD2 3.82Å; L165-L200 HydrophobicContact CD2-CD1 4.3Å; L165-L200 HydrophobicContact CD2-CD2 4.39Å; L165-S243 WeakPolarHBondContact CA-O 3.43Å; L165-S243 PolarHBondContact N-O 3.23Å
166	M	98.6	Very high	98	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-70.4	-31.9	-178	-67	-62.4	94.3	0	0	113	L127 W162 T168 V169 L170 L186 L200 Y203 V204	L127-M166 HydrophobicContact CD1-CB 3.82Å; L127-M166 HydrophobicContact CD2-CB 3.84Å; L127-M166 HydrophobicContact CG-CB 4.42Å; W162-M166 HydrophobicContact CD2-CG 3.95Å; W162-M166 HydrophobicContact CE3-CG 4.42Å; W162-M166 HydrophobicContact CG-CG 4.38Å; W162-M166 HydrophobicContact CH2-CG 4.44Å; W162-M166 HydrophobicContact CZ2-CG 3.95Å; W162-M166 HydrophobicContact CZ2-SD 4.45Å; W162-M166 WeakPolarHBondContact O-CB 3.35Å; W162-M166 WeakPolarHBondContact O-CG 3.34Å; W162-M166 PolarHBondContact O-N 3.21Å; M166-T168 VanDerWaalsContact C-N 3.35Å; M166-V169 HydrophobicContact CE-CB 4.45Å; M166-V169 HydrophobicContact CE-CG2 3.97Å; M166-V169 PolarHBondContact O-N 3.15Å; M166-L170 WeakPolarHBondContact O-CB 3.39Å; M166-L170 PolarHBondContact O-N 2.84Å; M166-L186 HydrophobicContact CE-CD1 4.39Å; M166-L200 HydrophobicContact CE-CD1 3.31Å; M166-L200 HydrophobicContact SD-CD1 3.93Å; M166-Y203 HydrophobicContact CB-CE1 4.37Å; M166-Y203 HydrophobicContact CG-CD1 4.21Å; M166-Y203 HydrophobicContact CG-CE1 4.05Å; M166-Y203 HydrophobicContact SD-CD1 3.35Å; M166-Y203 WeakPolarHBondContact SD-CD1 3.48Å; M166-Y203 HydrophobicContact SD-CE1 3.49Å; M166-Y203 WeakPolarHBondContact SD-CE1 3.38Å; M166-V204 HydrophobicContact CE-CG1 4.42Å; M166-V204 HydrophobicContact SD-CG1 4.48Å
167	R	98.3	Very high	97.9	Very high	4 Å²	4	12.7 Å²	12.7	2%	0.015	7%	0.065	C	C	.	.	H	α-helix	trans	-69.4	-34.2	173	-170.9	167.1	58.5	-105.8	-7.2	111.7	S122 L127 S163 T164 L165 S171 E246	S122-R167 PolarHBondContact O-NH1 3.34Å; S122-R167 PolarHBondContact OG-NH1 2.85Å; S122-R167 VanDerWaalsContact OG-NH1 3.14Å; S122-R167 PolarHBondContact OG-NH2 2.71Å; L127-R167 HydrophobicContact CD2-CB 4.15Å; S163-R167 WeakPolarHBondContact O-CB 3.24Å; S163-R167 PolarHBondContact O-N 2.8Å; S163-R167 PolarHBondContact O-NH1 3.02Å; T164-R167 PolarHBondContact O-N 3.35Å; L165-R167 PolarHBondContact O-N 3.34Å; R167-S171 VanDerWaalsContact O-CB 3.23Å; R167-S171 WeakPolarHBondContact O-CB 3.35Å; R167-S171 PolarHBondContact O-N 2.98Å; R167-S171 PolarHBondContact O-OG 3.19Å; R167-E246 VanDerWaalsContact CD-CD 3.42Å; R167-E246 WeakPolarHBondContact CD-OE1 3.23Å; R167-E246 WeakPolarHBondContact CD-OE2 3.43Å; R167-E246 HydrophobicContact CG-CG 3.93Å; R167-E246 IonicContact CZ-OE1 3.45Å; R167-E246 VanDerWaalsContact NE-CD 3.27Å; R167-E246 IonicContact NE-OE1 2.66Å; R167-E246 PolarHBondContact NE-OE1 3.24Å; R167-E246 IonicContact NE-OE2 3.6Å; R167-E246 IonicContact NH2-OE1 3.57Å
168	T	98.8	Very high	97.9	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-59.1	-54.8	169.4	-54.8	0	0	0	0	110.4	I155 T164 L165 M166 L170 S171 V172 S243 H244 C245	I155-T168 HydrophobicContact CD1-CG2 3.9Å; I155-T168 HydrophobicContact CG1-CG2 4.46Å; T164-T168 PolarHBondContact O-N 2.85Å; T164-T168 PolarHBondContact O-OG1 3.09Å; L165-T168 WeakPolarHBondContact O-CB 3.04Å; L165-T168 PolarHBondContact O-N 3.21Å; M166-T168 VanDerWaalsContact C-N 3.35Å; T168-L170 PolarHBondContact O-N 2.84Å; T168-S171 PolarHBondContact O-N 3.05Å; T168-S171 PolarHBondContact O-OG 2.83Å; T168-V172 WeakPolarHBondContact O-CG2 3.3Å; T168-V172 PolarHBondContact O-N 2.97Å; T168-V172 VanDerWaalsContact O-N 3.11Å; T168-S243 VanDerWaalsContact OG1-C 3.25Å; T168-S243 PolarHBondContact OG1-O 2.88Å; T168-S243 VanDerWaalsContact OG1-O 3.05Å; T168-H244 PolarHBondContact OG1-N 2.85Å; T168-C245 WeakPolarHBondContact CA-O 3.49Å; T168-C245 WeakPolarHBondContact CB-O 3.32Å; T168-C245 HydrophobicContact CG2-CB 4.08Å; T168-C245 PolarHBondContact OG1-N 3.46Å; T168-C245 PolarHBondContact OG1-O 3.42Å
169	V	98.8	Very high	98	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-57	-50.2	-180	173.4	0	0	0	0	111.8	I155 L165 M166 S171 V172 I173 I184 L186 L207 I211	I155-V169 HydrophobicContact CD1-CG2 4.09Å; L165-V169 WeakPolarHBondContact O-CG2 3.47Å; L165-V169 PolarHBondContact O-N 3.17Å; M166-V169 HydrophobicContact CE-CB 4.45Å; M166-V169 HydrophobicContact CE-CG2 3.97Å; M166-V169 PolarHBondContact O-N 3.15Å; V169-S171 VanDerWaalsContact C-N 3.34Å; V169-S171 PolarHBondContact O-N 2.95Å; V169-V172 WeakPolarHBondContact O-CB 3.38Å; V169-V172 PolarHBondContact O-N 3.28Å; V169-I173 HydrophobicContact CG1-CD1 3.85Å; V169-I173 WeakPolarHBondContact O-CG1 3.34Å; V169-I173 PolarHBondContact O-N 2.67Å; V169-I184 HydrophobicContact CG1-CD1 4.26Å; V169-L186 HydrophobicContact CG2-CD1 4.22Å; V169-L186 HydrophobicContact CG2-CD2 3.7Å; V169-L207 HydrophobicContact CG1-CD1 3.88Å; V169-I211 HydrophobicContact CG1-CD1 3.94Å
170	L	98.5	Very high	98.1	Very high	20 Å²	20	24.7 Å²	24.7	11%	0.105	12%	0.118	C	C	.	.	H	α-helix	trans	-67.5	-33.3	-179.5	-81.7	171.9	0	0	0	112.8	L127 M166 T168 V172 I173 N174 L207	L127-L170 HydrophobicContact CB-CD1 3.42Å; L127-L170 VanDerWaalsContact CB-CD1 3.42Å; L127-L170 HydrophobicContact CD1-CD1 3.93Å; L127-L170 HydrophobicContact CG-CD1 4.31Å; M166-L170 WeakPolarHBondContact O-CB 3.39Å; M166-L170 PolarHBondContact O-N 2.84Å; T168-L170 PolarHBondContact O-N 2.84Å; L170-V172 VanDerWaalsContact C-N 3.3Å; L170-V172 PolarHBondContact O-N 3.42Å; L170-I173 PolarHBondContact O-N 2.88Å; L170-N174 VanDerWaalsContact O-CB 3.23Å; L170-N174 WeakPolarHBondContact O-CB 3.28Å; L170-N174 PolarHBondContact O-N 2.72Å; L170-N174 PolarHBondContact O-ND2 3.18Å; L170-L207 HydrophobicContact CD2-CD2 3.94Å
171	S	98.6	Very high	98.2	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.014	12%	0.124	C	C	.	.	H	α-helix	trans	-62.8	-38.2	173.5	76.3	0	0	0	0	112	R167 T168 V169 R175 C247	R167-S171 VanDerWaalsContact O-CB 3.23Å; R167-S171 WeakPolarHBondContact O-CB 3.35Å; R167-S171 PolarHBondContact O-N 2.98Å; R167-S171 PolarHBondContact O-OG 3.19Å; T168-S171 PolarHBondContact O-N 3.05Å; T168-S171 PolarHBondContact O-OG 2.83Å; V169-S171 VanDerWaalsContact C-N 3.34Å; V169-S171 PolarHBondContact O-N 2.95Å; S171-R175 VanDerWaalsContact O-CB 3.27Å; S171-R175 WeakPolarHBondContact O-CB 3.19Å; S171-R175 WeakPolarHBondContact O-CG 3.47Å; S171-R175 PolarHBondContact O-N 2.81Å; S171-C247 PolarHBondContact OG-N 2.92Å
172	V	98.8	Very high	98.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-64.8	-49.6	174.7	172.8	0	0	0	0	110.2	V153 T168 V169 L170 S176 L181 I184 L241 W251	V153-V172 HydrophobicContact CB-CG1 4.35Å; V153-V172 HydrophobicContact CG1-CG1 4.28Å; V153-V172 HydrophobicContact CG1-CG2 4.24Å; V153-V172 HydrophobicContact CG2-CG1 3.98Å; T168-V172 WeakPolarHBondContact O-CG2 3.3Å; T168-V172 PolarHBondContact O-N 2.97Å; T168-V172 VanDerWaalsContact O-N 3.11Å; V169-V172 WeakPolarHBondContact O-CB 3.38Å; V169-V172 PolarHBondContact O-N 3.28Å; L170-V172 VanDerWaalsContact C-N 3.3Å; L170-V172 PolarHBondContact O-N 3.42Å; V172-S176 WeakPolarHBondContact O-CB 3.21Å; V172-S176 PolarHBondContact O-N 2.9Å; V172-S176 PolarHBondContact O-OG 3.08Å; V172-L181 HydrophobicContact CG1-CD1 3.98Å; V172-L181 HydrophobicContact CG1-CD2 4.05Å; V172-I184 HydrophobicContact CB-CD1 4.19Å; V172-I184 HydrophobicContact CG1-CD1 3.79Å; V172-I184 HydrophobicContact CG1-CG1 4.15Å; V172-L241 HydrophobicContact CG2-CD1 3.57Å; V172-W251 HydrophobicContact CG1-CZ2 4.37Å; V172-W251 HydrophobicContact CG2-CZ2 4.29Å
173	I	98.5	Very high	98.3	Very high	19 Å²	19	29.7 Å²	29.7	10%	0.097	14%	0.141	C	C	.	.	H	α-helix	trans	-62.9	-46.8	-177.6	-64.1	171.2	0	0	0	111.3	V169 L170 R175 I184 L207 A209 I211	V169-I173 HydrophobicContact CG1-CD1 3.85Å; V169-I173 WeakPolarHBondContact O-CG1 3.34Å; V169-I173 PolarHBondContact O-N 2.67Å; L170-I173 PolarHBondContact O-N 2.88Å; I173-R175 VanDerWaalsContact C-N 3.33Å; I173-R175 PolarHBondContact O-N 3.24Å; I173-I184 HydrophobicContact CD1-CD1 4.16Å; I173-I184 HydrophobicContact CG1-CD1 3.61Å; I173-L207 HydrophobicContact CD1-CB 4.11Å; I173-L207 HydrophobicContact CD1-CD1 4.01Å; I173-A209 HydrophobicContact CD1-CB 3.82Å; I173-A209 HydrophobicContact CG1-CB 3.73Å; I173-A209 HydrophobicContact CG2-CB 4.36Å; I173-I211 HydrophobicContact CD1-CD1 4.03Å
174	N	98	Very high	98.3	Very high	93 Å²	93	29.7 Å²	29.7	50%	0.497	14%	0.141	S	C	.	.	H	α-helix	trans	-75.2	-24	-172	-67.7	-18.3	0	0	0	113	L170	L170-N174 VanDerWaalsContact O-CB 3.23Å; L170-N174 WeakPolarHBondContact O-CB 3.28Å; L170-N174 PolarHBondContact O-N 2.72Å; L170-N174 PolarHBondContact O-ND2 3.18Å
175	R	97.9	Very high	98.3	Very high	31 Å²	31	29.6 Å²	29.6	12%	0.117	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.8	16.7	-169.5	-53.1	177.3	174.9	124.5	10.3	113.7	R129 L131 S171 I173 C247 D249 W251	R129-R175 PolarHBondContact O-NH2 2.87Å; L131-R175 VanDerWaalsContact CD1-NH1 3.27Å; S171-R175 VanDerWaalsContact O-CB 3.27Å; S171-R175 WeakPolarHBondContact O-CB 3.19Å; S171-R175 WeakPolarHBondContact O-CG 3.47Å; S171-R175 PolarHBondContact O-N 2.81Å; I173-R175 VanDerWaalsContact C-N 3.33Å; I173-R175 PolarHBondContact O-N 3.24Å; R175-C247 WeakPolarHBondContact CD-O 3.36Å; R175-C247 PolarHBondContact NE-O 3.06Å; R175-C247 PolarHBondContact NH1-O 3.04Å; R175-D249 VanDerWaalsContact CD-OD1 3.23Å; R175-D249 WeakPolarHBondContact CD-OD1 3.39Å; R175-D249 WeakPolarHBondContact CG-OD1 3.29Å; R175-D249 IonicContact NE-OD1 2.58Å; R175-D249 PolarHBondContact NE-OD1 3.5Å; R175-W251 VanDerWaalsContact O-CD1 3.25Å; R175-W251 PolarHBondContact O-NE1 3.16Å
176	S	98.2	Very high	98.4	Very high	9 Å²	9	29.6 Å²	29.6	6%	0.063	14%	0.141	C	C	.	.	S	Bend	trans	-117.7	137.7	171.7	-52.7	0	0	0	0	109.4	V172 K178 W251	V172-S176 WeakPolarHBondContact O-CB 3.21Å; V172-S176 PolarHBondContact O-N 2.9Å; V172-S176 PolarHBondContact O-OG 3.08Å; S176-K178 PolarHBondContact O-N 2.79Å; S176-W251 PolarHBondContact OG-NE1 3.4Å
177	P	97.4	Very high	98.4	Very high	29 Å²	29	29.6 Å²	29.6	19%	0.188	14%	0.141	C	C	.	.			trans	-59	128.5	171.3	-24.3	34.6	0	0	0	111.1	H179 L180 L181 E253	P177-H179 PolarHBondContact O-N 2.89Å; P177-H179 VanDerWaalsContact O-N 3.16Å; P177-L180 HydrophobicContact CB-CB 4.43Å; P177-L180 HydrophobicContact CB-CD1 4.03Å; P177-L180 HydrophobicContact CB-CG 4.08Å; P177-L180 HydrophobicContact CG-CD1 3.97Å; P177-L180 PolarHBondContact O-N 2.94Å; P177-L181 PolarHBondContact O-N 3.34Å; P177-E253 HydrophobicContact CG-CG 4Å; P177-E253 WeakPolarHBondContact CG-OE1 3.42Å
178	K	97	Very high	98.4	Very high	178 Å²	178	29.4 Å²	29.4	77%	0.774	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-33.5	-172.2	-68.7	-174.2	179.2	-178.7	0	113.6	S176 L180	S176-K178 PolarHBondContact O-N 2.79Å; K178-L180 VanDerWaalsContact C-N 3.31Å
179	H	97	Very high	98.2	Very high	110 Å²	110	29.6 Å²	29.6	51%	0.509	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-17.6	-180	66.2	-70.7	0	0	0	113.4	I146 P177	I146-H179 PolarHBondContact O-NE2 3.42Å; I146-H179 VanDerWaalsContact O-NE2 3.15Å; P177-H179 PolarHBondContact O-N 2.89Å; P177-H179 VanDerWaalsContact O-N 3.16Å
180	L	98.4	Very high	98.1	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.016	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-29.2	177.3	-58.1	-176.9	0	0	0	112.5	L148 T150 T151 P177 K178 K182 L252 E253 L256	L148-L180 HydrophobicContact CB-CD1 4.13Å; L148-L180 HydrophobicContact CB-CD2 3.71Å; L148-L180 HydrophobicContact CD1-CD1 4.02Å; L148-L180 WeakPolarHBondContact O-CD2 3.48Å; T150-L180 CarbonylContact C-O 3.44Å; T150-L180 WeakPolarHBondContact CA-O 3.49Å; T151-L180 PolarHBondContact N-O 3.34Å; P177-L180 HydrophobicContact CB-CB 4.43Å; P177-L180 HydrophobicContact CB-CD1 4.03Å; P177-L180 HydrophobicContact CB-CG 4.08Å; P177-L180 HydrophobicContact CG-CD1 3.97Å; P177-L180 PolarHBondContact O-N 2.94Å; K178-L180 VanDerWaalsContact C-N 3.31Å; L180-K182 PolarHBondContact O-N 2.84Å; L180-L252 HydrophobicContact CB-CD2 4.4Å; L180-E253 HydrophobicContact CD1-CG 4.35Å; L180-L256 HydrophobicContact CB-CD1 3.99Å; L180-L256 HydrophobicContact CD1-CD1 3.99Å; L180-L256 HydrophobicContact CG-CD1 4.45Å
181	L	98.6	Very high	98	Very high	23 Å²	23	34 Å²	34	12%	0.12	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	97.6	177.2	-178.3	61.5	0	0	0	110.5	V153 V172 P177 I184	V153-L181 HydrophobicContact CB-CD1 4.38Å; V153-L181 HydrophobicContact CG2-CD1 3.62Å; V172-L181 HydrophobicContact CG1-CD1 3.98Å; V172-L181 HydrophobicContact CG1-CD2 4.05Å; P177-L181 PolarHBondContact O-N 3.34Å; L181-I184 HydrophobicContact CD1-CG1 4.1Å; L181-I184 HydrophobicContact CD2-CD1 4.25Å; L181-I184 HydrophobicContact CD2-CG1 4.3Å
182	K	98.7	Very high	97.8	Very high	95 Å²	95	38.7 Å²	38.7	41%	0.413	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	-50.6	-180	-175.5	64.1	173.8	-172.3	0	111.6	T151 L180	T151-K182 VanDerWaalsContact O-CB 3.26Å; T151-K182 WeakPolarHBondContact O-CB 3.34Å; T151-K182 PolarHBondContact O-N 2.92Å; L180-K182 PolarHBondContact O-N 2.84Å
183	E	98.7	Very high	97.6	Very high	6 Å²	6	39.8 Å²	39.8	3%	0.028	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.8	162	-178.1	63.3	-161.5	156.5	0	0	111.2	S152 V153 I185 R210 T234	S152-E183 WeakPolarHBondContact CA-O 3.35Å; S152-E183 WeakPolarHBondContact OG-CG 3.33Å; S152-E183 PolarHBondContact OG-OE1 2.9Å; V153-E183 PolarHBondContact N-O 3.48Å; E183-I185 HydrophobicContact CG-CD1 4.37Å; E183-I185 HydrophobicContact CG-CG1 4.14Å; E183-R210 CarbonylContact C-O 3.53Å; E183-R210 VanDerWaalsContact CA-O 3.28Å; E183-R210 WeakPolarHBondContact CA-O 3.27Å; E183-R210 HydrophobicContact CB-CB 4.26Å; E183-R210 HydrophobicContact CB-CG 4Å; E183-R210 WeakPolarHBondContact CB-O 3.43Å; E183-R210 IonicContact OE2-CZ 2.73Å; E183-R210 IonicContact OE2-NE 3.11Å; E183-R210 PolarHBondContact OE2-NE 2.8Å; E183-R210 IonicContact OE2-NH2 2.71Å; E183-T234 WeakPolarHBondContact OE1-CB 3.37Å; E183-T234 PolarHBondContact OE1-N 2.84Å; E183-T234 PolarHBondContact OE1-OG1 3.24Å
184	I	98.9	Very high	97.5	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	130.2	167.9	-56.3	174.5	0	0	0	108	V153 I155 V169 V172 I173 L181 L186 R210 I211 S212	V153-I184 HydrophobicContact CB-CG1 4.42Å; V153-I184 CarbonylContact O-C 3.54Å; V153-I184 WeakPolarHBondContact O-CA 3.5Å; I155-I184 HydrophobicContact CD1-CG2 3.97Å; V169-I184 HydrophobicContact CG1-CD1 4.26Å; V172-I184 HydrophobicContact CB-CD1 4.19Å; V172-I184 HydrophobicContact CG1-CD1 3.79Å; V172-I184 HydrophobicContact CG1-CG1 4.15Å; I173-I184 HydrophobicContact CD1-CD1 4.16Å; I173-I184 HydrophobicContact CG1-CD1 3.61Å; L181-I184 HydrophobicContact CD1-CG1 4.1Å; L181-I184 HydrophobicContact CD2-CD1 4.25Å; L181-I184 HydrophobicContact CD2-CG1 4.3Å; I184-L186 HydrophobicContact CG2-CD2 3.87Å; I184-L186 HydrophobicContact CG2-CG 4.41Å; I184-R210 PolarHBondContact N-O 3.44Å; I184-I211 HydrophobicContact CB-CG1 4.23Å; I184-I211 HydrophobicContact CB-CG2 4.47Å; I184-I211 HydrophobicContact CD1-CG1 4.47Å; I184-I211 WeakPolarHBondContact O-CA 3.38Å; I184-S212 PolarHBondContact O-N 2.86Å
185	I	98.9	Very high	97.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	107.5	178.8	-55.1	178.3	0	0	0	107.8	V153 I154 I155 E183 V187 V214 K232 A233	V153-I185 PolarHBondContact O-N 2.62Å; I154-I185 HydrophobicContact CG1-CB 4.44Å; I155-I185 PolarHBondContact N-O 2.77Å; E183-I185 HydrophobicContact CG-CD1 4.37Å; E183-I185 HydrophobicContact CG-CG1 4.14Å; I185-V187 HydrophobicContact CG2-CG2 4Å; I185-V214 HydrophobicContact CG2-CG2 3.81Å; I185-K232 HydrophobicContact CD1-CB 4.17Å; I185-A233 HydrophobicContact CD1-CB 3.91Å
186	L	98.8	Very high	97.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	110.5	174.3	-59.2	-172.6	0	0	0	108.6	I155 F157 M166 V169 I184 V204 I211 S212 I213 V214	I155-L186 HydrophobicContact CB-CD2 3.85Å; I155-L186 HydrophobicContact CD1-CD2 3.97Å; I155-L186 HydrophobicContact CG1-CD2 4.44Å; I155-L186 HydrophobicContact CG2-CD2 4.31Å; I155-L186 WeakPolarHBondContact O-CA 3.33Å; F157-L186 HydrophobicContact CE1-CB 3.9Å; M166-L186 HydrophobicContact CE-CD1 4.39Å; V169-L186 HydrophobicContact CG2-CD1 4.22Å; V169-L186 HydrophobicContact CG2-CD2 3.7Å; I184-L186 HydrophobicContact CG2-CD2 3.87Å; I184-L186 HydrophobicContact CG2-CG 4.41Å; L186-V204 HydrophobicContact CD1-CG1 3.94Å; L186-I211 HydrophobicContact CD1-CG2 3.92Å; L186-I211 HydrophobicContact CG-CG2 3.92Å; L186-S212 PolarHBondContact N-O 2.85Å; L186-I213 HydrophobicContact CB-CG1 4.23Å; L186-I213 HydrophobicContact CD1-CG1 4.34Å; L186-I213 CarbonylContact O-C 3.56Å; L186-I213 WeakPolarHBondContact O-CA 3.26Å; L186-V214 PolarHBondContact O-N 2.97Å
187	V	98.6	Very high	97.3	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	105.4	178.4	-171	0	0	0	0	109.5	I154 I155 V156 F157 I185 D189 V214 A225 L228	I154-V187 HydrophobicContact CG2-CG2 4.17Å; I155-V187 PolarHBondContact O-N 3.03Å; V156-V187 HydrophobicContact CG2-CB 4.09Å; V156-V187 HydrophobicContact CG2-CG2 4.45Å; F157-V187 VanDerWaalsContact CD1-O 3.31Å; F157-V187 WeakPolarHBondContact CD1-O 3.2Å; F157-V187 PolarHBondContact N-O 2.92Å; I185-V187 HydrophobicContact CG2-CG2 4Å; V187-D189 PolarHBondContact O-N 2.82Å; V187-V214 CarbonylContact C-O 3.44Å; V187-V214 VanDerWaalsContact CA-O 3.31Å; V187-V214 WeakPolarHBondContact CA-O 3.45Å; V187-A225 HydrophobicContact CG1-CB 3.9Å; V187-A225 WeakPolarHBondContact CG1-O 3.44Å; V187-L228 HydrophobicContact CG1-CB 4.48Å; V187-L228 HydrophobicContact CG1-CD2 4.03Å; V187-L228 HydrophobicContact CG1-CG 4.41Å
188	D	98.4	Very high	97.3	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	101.8	173.2	-179.2	10.2	0	0	0	109.2	F157 F190 S191 K197 V214 R215 A216	F157-D188 HydrophobicContact CE1-CB 3.93Å; F157-D188 HydrophobicContact CE2-CB 3.94Å; F157-D188 HydrophobicContact CZ-CB 3.46Å; F157-D188 VanDerWaalsContact CZ-CB 3.46Å; D188-F190 PolarHBondContact O-N 3.03Å; D188-F190 PolarHBondContact OD1-N 3.23Å; D188-S191 WeakPolarHBondContact OD1-CA 3.47Å; D188-S191 WeakPolarHBondContact OD1-CB 3.33Å; D188-S191 PolarHBondContact OD1-N 3.47Å; D188-S191 PolarHBondContact OD1-OG 2.78Å; D188-K197 IonicContact OD2-NZ 3.44Å; D188-K197 PolarHBondContact OD2-NZ 3.19Å; D188-K197 VanDerWaalsContact OD2-NZ 3.13Å; D188-V214 PolarHBondContact N-O 3.11Å; D188-R215 HydrophobicContact CB-CB 4.37Å; D188-R215 HydrophobicContact CB-CG 4.04Å; D188-R215 IonicContact OD2-CZ 3.98Å; D188-R215 IonicContact OD2-NH1 3.88Å; D188-R215 PolarHBondContact OD2-NH1 3Å; D188-A216 PolarHBondContact O-N 2.92Å
189	D	96.4	Very high	97.4	Very high	4 Å²	4	36 Å²	36	2%	0.021	20%	0.196	C	C	.	.			trans	-78.5	61.5	175.3	-178.3	37	0	0	0	110.7	V156 F157 H158 V187 R219 S220 G221 A225	V156-D189 HydrophobicContact CG1-CB 4.47Å; F157-D189 PolarHBondContact O-N 3.33Å; H158-D189 HydrophobicContact CB-CB 4.29Å; H158-D189 PolarHBondContact ND1-O 3.13Å; V187-D189 PolarHBondContact O-N 2.82Å; D189-R219 WeakPolarHBondContact O-CD 3.44Å; D189-R219 WeakPolarHBondContact OD2-CD 3.24Å; D189-R219 IonicContact OD2-CZ 3.46Å; D189-R219 IonicContact OD2-NE 3.68Å; D189-R219 PolarHBondContact OD2-NE 3.1Å; D189-S220 PolarHBondContact OD1-N 2.04Å; D189-G221 VanDerWaalsContact CG-N 3.32Å; D189-G221 PolarHBondContact OD1-N 3.16Å; D189-G221 VanDerWaalsContact OD1-N 3.11Å; D189-G221 WeakPolarHBondContact OD2-CA 3.45Å; D189-G221 PolarHBondContact OD2-N 3.49Å; D189-A225 HydrophobicContact CB-CB 4.02Å
190	F	95.8	Very high	97.4	Very high	107 Å²	107	30.7 Å²	30.7	47%	0.469	17%	0.171	S	C	.	.	S	Bend	trans	62.8	47.1	174.1	-161.5	-109.3	0	0	0	114.7	H158 D188 T217 R219	H158-F190 PolarHBondContact CE1-O 2.78Å; H158-F190 PolarHBondContact ND1-O 3.46Å; D188-F190 PolarHBondContact O-N 3.03Å; D188-F190 PolarHBondContact OD1-N 3.23Å; F190-T217 WeakPolarHBondContact CE2-O 3.45Å; F190-R219 HydrophobicContact CB-CB 4.28Å; F190-R219 HydrophobicContact CD1-CB 4.24Å
191	S	96.4	Very high	97.4	Very high	4 Å²	4	34.7 Å²	34.7	3%	0.028	19%	0.19	C	C	.	.			trans	-63.5	148.2	173.4	-55.7	0	0	0	0	111.7	H158 N159 D188 K197	H158-S191 WeakPolarHBondContact CA-OG 3.48Å; N159-S191 PolarHBondContact N-OG 2.94Å; N159-S191 VanDerWaalsContact OD1-CA 3.24Å; N159-S191 WeakPolarHBondContact OD1-CA 3.49Å; N159-S191 WeakPolarHBondContact OD1-CB 3.35Å; D188-S191 WeakPolarHBondContact OD1-CA 3.47Å; D188-S191 WeakPolarHBondContact OD1-CB 3.33Å; D188-S191 PolarHBondContact OD1-N 3.47Å; D188-S191 PolarHBondContact OD1-OG 2.78Å; S191-K197 WeakPolarHBondContact O-CE 3.49Å; S191-K197 PolarHBondContact O-NZ 2.88Å
192	N	94.2	Very high	97.4	Very high	102 Å²	102	37.4 Å²	37.4	55%	0.545	21%	0.211	S	C	.	.			trans	-112.1	-4.7	174.6	65.5	-8.4	0	0	0	113.9	N159 A194	N159-N192 VanDerWaalsContact CG-OD1 3.22Å; N159-N192 PolarHBondContact ND2-OD1 2.98Å; N159-N192 PolarHBondContact OD1-N 2.74Å; N159-N192 PolarHBondContact OD1-OD1 3.42Å; N192-A194 PolarHBondContact O-N 3.02Å
193	R	95.1	Very high	97.4	Very high	22 Å²	22	36.1 Å²	36.1	8%	0.083	20%	0.204	C	C	.	.			trans	-66.5	128.9	175.9	-54.2	-65.6	172.2	114.2	2.9	111.7	I80 D81 I114 N159 F195 L196	I80-R193 VanDerWaalsContact CG2-NE 3.29Å; I80-R193 PolarHBondContact O-NH1 3.15Å; D81-R193 WeakPolarHBondContact OD1-CA 3.35Å; D81-R193 VanDerWaalsContact OD1-CD 3.27Å; D81-R193 WeakPolarHBondContact OD1-CD 3.48Å; I114-R193 VanDerWaalsContact CG2-NH1 3.34Å; N159-R193 HydrophobicContact CB-CG 4.14Å; N159-R193 PolarHBondContact OD1-N 3.24Å; R193-F195 VanDerWaalsContact C-N 3.31Å; R193-F195 HydrophobicContact CB-CD1 4.05Å; R193-F195 HydrophobicContact CB-CD2 4.43Å; R193-F195 HydrophobicContact CB-CE1 3.64Å; R193-F195 HydrophobicContact CB-CE2 4.03Å; R193-F195 HydrophobicContact CB-CG 4.44Å; R193-F195 HydrophobicContact CB-CZ 3.61Å; R193-F195 HydrophobicContact CG-CE1 4Å; R193-F195 HydrophobicContact CG-CE2 4.42Å; R193-F195 HydrophobicContact CG-CZ 3.73Å; R193-F195 PolarHBondContact O-N 3.31Å; R193-L196 HydrophobicContact CB-CD1 3.98Å; R193-L196 HydrophobicContact CB-CG 4.12Å; R193-L196 HydrophobicContact CG-CD1 4.21Å; R193-L196 PolarHBondContact O-N 3.04Å
194	A	95.7	Very high	97.3	Very high	65 Å²	65	36.4 Å²	36.4	54%	0.537	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-56.7	-41.4	-178.2	0	0	0	0	0	113.3	N192 L196 K197	N192-A194 PolarHBondContact O-N 3.02Å; A194-L196 PolarHBondContact O-N 3.4Å; A194-L196 VanDerWaalsContact O-N 3.15Å; A194-K197 PolarHBondContact O-N 3.03Å; A194-K197 VanDerWaalsContact O-N 3.11Å
195	F	96.5	Very high	97.3	Very high	18 Å²	18	40.4 Å²	40.4	8%	0.079	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-66.7	-14.2	-179.9	59.3	-101.4	0	0	0	114.2	D81 N83 E160 W162 R193 L200	D81-F195 VanDerWaalsContact O-CD1 3.31Å; D81-F195 WeakPolarHBondContact O-CD1 3.37Å; N83-F195 HydrophobicContact CB-CB 3.93Å; N83-F195 HydrophobicContact CB-CD1 3.87Å; N83-F195 HydrophobicContact CB-CG 3.96Å; E160-F195 WeakPolarHBondContact O-CE2 3.49Å; W162-F195 HydrophobicContact CB-CD2 4.13Å; W162-F195 HydrophobicContact CB-CE2 4.29Å; W162-F195 HydrophobicContact CE3-CD2 4.22Å; W162-F195 WeakPolarHBondContact CZ3-O 3.31Å; R193-F195 VanDerWaalsContact C-N 3.31Å; R193-F195 HydrophobicContact CB-CD1 4.05Å; R193-F195 HydrophobicContact CB-CD2 4.43Å; R193-F195 HydrophobicContact CB-CE1 3.64Å; R193-F195 HydrophobicContact CB-CE2 4.03Å; R193-F195 HydrophobicContact CB-CG 4.44Å; R193-F195 HydrophobicContact CB-CZ 3.61Å; R193-F195 HydrophobicContact CG-CE1 4Å; R193-F195 HydrophobicContact CG-CE2 4.42Å; R193-F195 HydrophobicContact CG-CZ 3.73Å; R193-F195 PolarHBondContact O-N 3.31Å; F195-L200 PolarHBondContact O-N 3.15Å
196	L	97.9	Very high	97.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-90.6	1.7	176.2	-63.1	176.4	0	0	0	113.3	F157 L165 R193 A194 L200 R215	F157-L196 HydrophobicContact CD2-CD1 4.15Å; F157-L196 HydrophobicContact CD2-CD2 4.42Å; F157-L196 HydrophobicContact CE2-CB 4.29Å; F157-L196 HydrophobicContact CE2-CD1 4.07Å; F157-L196 HydrophobicContact CE2-CD2 4.07Å; F157-L196 HydrophobicContact CE2-CG 4.37Å; L165-L196 HydrophobicContact CD2-CD2 3.82Å; R193-L196 HydrophobicContact CB-CD1 3.98Å; R193-L196 HydrophobicContact CB-CG 4.12Å; R193-L196 HydrophobicContact CG-CD1 4.21Å; R193-L196 PolarHBondContact O-N 3.04Å; A194-L196 PolarHBondContact O-N 3.4Å; A194-L196 VanDerWaalsContact O-N 3.15Å; L196-L200 HydrophobicContact CD2-CD2 4.47Å; L196-L200 WeakPolarHBondContact O-CD2 3.47Å; L196-R215 PolarHBondContact O-NH1 3.12Å; L196-R215 PolarHBondContact O-NH2 2.88Å; L196-R215 VanDerWaalsContact O-NH2 3.11Å
197	K	97	Very high	97.2	Very high	67 Å²	67	46.8 Å²	46.8	29%	0.291	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-118	179	-56.3	-55.8	179.7	-174.1	0	110.9	D188 S191 A194 A199 L200 E201 R215	D188-K197 IonicContact OD2-NZ 3.44Å; D188-K197 PolarHBondContact OD2-NZ 3.19Å; D188-K197 VanDerWaalsContact OD2-NZ 3.13Å; S191-K197 WeakPolarHBondContact O-CE 3.49Å; S191-K197 PolarHBondContact O-NZ 2.88Å; A194-K197 PolarHBondContact O-N 3.03Å; A194-K197 VanDerWaalsContact O-N 3.11Å; K197-A199 VanDerWaalsContact C-N 3.28Å; K197-A199 PolarHBondContact O-N 2.74Å; K197-L200 WeakPolarHBondContact O-CB 3.31Å; K197-L200 PolarHBondContact O-N 3.1Å; K197-E201 PolarHBondContact O-N 3.39Å; K197-R215 PolarHBondContact O-NH2 2.96Å
198	S	97.4	Very high	97	Very high	79 Å²	79	51.6 Å²	51.6	55%	0.552	31%	0.311	S	S	*	.	H	α-helix	trans	-64.3	-29.9	-174.9	-50.5	0	0	0	0	113.4	E201 S202	S198-E201 PolarHBondContact O-N 2.86Å; S198-S202 WeakPolarHBondContact O-CB 3.1Å; S198-S202 PolarHBondContact O-N 3.4Å; S198-S202 PolarHBondContact O-OG 3.26Å
199	A	97.6	Very high	97	Very high	50 Å²	50	52.7 Å²	52.7	41%	0.413	32%	0.32	S	S	.	.	H	α-helix	trans	-64	-42.4	175.1	0	0	0	0	0	111.7	K197 S202 Y203	K197-A199 VanDerWaalsContact C-N 3.28Å; K197-A199 PolarHBondContact O-N 2.74Å; A199-S202 PolarHBondContact O-N 2.8Å; A199-Y203 WeakPolarHBondContact O-CB 2.98Å; A199-Y203 PolarHBondContact O-N 2.8Å
200	L	98.4	Very high	97.1	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-63.1	-47.3	174.7	178.3	64.3	0	0	0	111.2	F157 W162 L165 M166 F195 L196 K197 S202 Y203 V204 I213	F157-L200 HydrophobicContact CE2-CD2 4.14Å; F157-L200 HydrophobicContact CZ-CD2 3.64Å; W162-L200 HydrophobicContact CZ3-CB 4.1Å; W162-L200 HydrophobicContact CZ3-CD1 4.18Å; L165-L200 HydrophobicContact CD2-CD1 4.3Å; L165-L200 HydrophobicContact CD2-CD2 4.39Å; M166-L200 HydrophobicContact CE-CD1 3.31Å; M166-L200 HydrophobicContact SD-CD1 3.93Å; F195-L200 PolarHBondContact O-N 3.15Å; L196-L200 HydrophobicContact CD2-CD2 4.47Å; L196-L200 WeakPolarHBondContact O-CD2 3.47Å; K197-L200 WeakPolarHBondContact O-CB 3.31Å; K197-L200 PolarHBondContact O-N 3.1Å; L200-S202 VanDerWaalsContact C-N 3.34Å; L200-S202 PolarHBondContact O-N 3.23Å; L200-Y203 PolarHBondContact O-N 2.56Å; L200-V204 HydrophobicContact CD1-CG1 3.91Å; L200-V204 HydrophobicContact CG-CG1 4.42Å; L200-V204 WeakPolarHBondContact O-CG1 3.49Å; L200-V204 WeakPolarHBondContact O-CG2 3.38Å; L200-V204 PolarHBondContact O-N 2.9Å; L200-I213 HydrophobicContact CD2-CD1 4.1Å; L200-I213 HydrophobicContact CG-CD1 3.88Å
201	E	98.2	Very high	97.2	Very high	86 Å²	86	56.8 Å²	56.8	40%	0.402	33%	0.334	S	S	.	.	H	α-helix	trans	-57.3	-47.3	177.3	-75.4	161.2	-167.1	0	0	111.9	K197 S198 Y203 V204 A205 I213 R215	K197-E201 PolarHBondContact O-N 3.39Å; S198-E201 PolarHBondContact O-N 2.86Å; E201-Y203 PolarHBondContact O-N 2.85Å; E201-V204 WeakPolarHBondContact O-CG2 3.21Å; E201-A205 WeakPolarHBondContact O-CB 3.49Å; E201-A205 PolarHBondContact O-N 3.04Å; E201-A205 VanDerWaalsContact O-N 3.17Å; E201-I213 HydrophobicContact CB-CD1 4.41Å; E201-I213 HydrophobicContact CG-CD1 3.71Å; E201-R215 IonicContact OE1-CZ 2.91Å; E201-R215 IonicContact OE1-NE 3.49Å; E201-R215 PolarHBondContact OE1-NE 2.79Å; E201-R215 VanDerWaalsContact OE1-NE 3.11Å; E201-R215 IonicContact OE1-NH2 2.75Å; E201-R215 PolarHBondContact OE1-NH2 2.89Å
202	S	98.1	Very high	97.3	Very high	81 Å²	81	58.6 Å²	58.6	57%	0.566	35%	0.347	S	S	*	.	H	α-helix	trans	-62.1	-44.2	179.2	-58.2	0	0	0	0	111.2	S198 A199 L200 T206	S198-S202 WeakPolarHBondContact O-CB 3.1Å; S198-S202 PolarHBondContact O-N 3.4Å; S198-S202 PolarHBondContact O-OG 3.26Å; A199-S202 PolarHBondContact O-N 2.8Å; L200-S202 VanDerWaalsContact C-N 3.34Å; L200-S202 PolarHBondContact O-N 3.23Å; S202-T206 WeakPolarHBondContact O-CG2 3.41Å
203	Y	98	Very high	97.5	Very high	67 Å²	67	55.7 Å²	55.7	26%	0.263	33%	0.331	S	S	.	.	H	α-helix	trans	-69.1	-47	-178.8	-175.7	-98.1	0	0	0	112.4	L127 W162 M166 A199 L200 E201 A205 T206 L207	L127-Y203 VanDerWaalsContact CD1-OH 3.26Å; L127-Y203 WeakPolarHBondContact CD1-OH 3Å; W162-Y203 HydrophobicContact CH2-CD1 4.18Å; W162-Y203 AromaticContact CH2-CG 3.85Å; W162-Y203 HydrophobicContact CH2-CG 3.85Å; W162-Y203 AromaticContact CZ2-CD1 3.92Å; W162-Y203 HydrophobicContact CZ2-CD1 3.92Å; W162-Y203 HydrophobicContact CZ2-CD2 4.02Å; W162-Y203 HydrophobicContact CZ2-CE1 4.46Å; W162-Y203 AromaticContact CZ2-CG 3.67Å; W162-Y203 HydrophobicContact CZ2-CG 3.67Å; M166-Y203 HydrophobicContact CB-CE1 4.37Å; M166-Y203 HydrophobicContact CG-CD1 4.21Å; M166-Y203 HydrophobicContact CG-CE1 4.05Å; M166-Y203 HydrophobicContact SD-CD1 3.35Å; M166-Y203 WeakPolarHBondContact SD-CD1 3.48Å; M166-Y203 HydrophobicContact SD-CE1 3.49Å; M166-Y203 WeakPolarHBondContact SD-CE1 3.38Å; A199-Y203 WeakPolarHBondContact O-CB 2.98Å; A199-Y203 PolarHBondContact O-N 2.8Å; L200-Y203 PolarHBondContact O-N 2.56Å; E201-Y203 PolarHBondContact O-N 2.85Å; Y203-A205 PolarHBondContact O-N 2.75Å; Y203-T206 WeakPolarHBondContact O-CB 3.41Å; Y203-T206 PolarHBondContact O-N 3.43Å; Y203-T206 PolarHBondContact O-OG1 3.11Å; Y203-L207 HydrophobicContact CD1-CD1 4.42Å; Y203-L207 HydrophobicContact CE1-CD1 4.14Å; Y203-L207 HydrophobicContact CE1-CD2 4.14Å; Y203-L207 HydrophobicContact CE1-CG 4.43Å
204	V	98	Very high	97.6	Very high	12 Å²	12	55.8 Å²	55.8	7%	0.073	33%	0.334	C	S	.	.	H	α-helix	trans	-64.2	-29.6	-179.1	-60.6	0	0	0	0	112.4	M166 L186 L200 E201 T206 L207 I211 I213	M166-V204 HydrophobicContact CE-CG1 4.42Å; M166-V204 HydrophobicContact SD-CG1 4.48Å; L186-V204 HydrophobicContact CD1-CG1 3.94Å; L200-V204 HydrophobicContact CD1-CG1 3.91Å; L200-V204 HydrophobicContact CG-CG1 4.42Å; L200-V204 WeakPolarHBondContact O-CG1 3.49Å; L200-V204 WeakPolarHBondContact O-CG2 3.38Å; L200-V204 PolarHBondContact O-N 2.9Å; E201-V204 WeakPolarHBondContact O-CG2 3.21Å; V204-T206 PolarHBondContact O-N 2.77Å; V204-L207 WeakPolarHBondContact O-CB 3.06Å; V204-L207 PolarHBondContact O-N 3.3Å; V204-L207 VanDerWaalsContact O-N 3.14Å; V204-I211 HydrophobicContact CB-CB 4.37Å; V204-I211 HydrophobicContact CB-CD1 4.13Å; V204-I211 HydrophobicContact CB-CG2 4.11Å; V204-I211 HydrophobicContact CG1-CD1 4.5Å; V204-I211 HydrophobicContact CG1-CG2 4.3Å; V204-I211 HydrophobicContact CG2-CG2 4.47Å; V204-I213 HydrophobicContact CG2-CD1 3.67Å; V204-I213 HydrophobicContact CG2-CG1 4.24Å
205	A	97.6	Very high	97.7	Very high	85 Å²	85	56.1 Å²	56.1	70%	0.702	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-20.2	174.8	0	0	0	0	0	113.2	E201 Y203	E201-A205 WeakPolarHBondContact O-CB 3.49Å; E201-A205 PolarHBondContact O-N 3.04Å; E201-A205 VanDerWaalsContact O-N 3.17Å; Y203-A205 PolarHBondContact O-N 2.75Å
206	T	97.8	Very high	97.7	Very high	103 Å²	103	56 Å²	56	63%	0.632	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-12.3	175.9	72.3	0	0	0	0	113.7	S202 Y203 V204	S202-T206 WeakPolarHBondContact O-CG2 3.41Å; Y203-T206 WeakPolarHBondContact O-CB 3.41Å; Y203-T206 PolarHBondContact O-N 3.43Å; Y203-T206 PolarHBondContact O-OG1 3.11Å; V204-T206 PolarHBondContact O-N 2.77Å
207	L	97.9	Very high	97.6	Very high	30 Å²	30	62.4 Å²	62.4	16%	0.157	36%	0.362	C	S	.	.	S	Bend	trans	-82.8	150.9	-174	-59.5	-178.5	0	0	0	111.7	V169 L170 I173 Y203 V204 A209 I211	V169-L207 HydrophobicContact CG1-CD1 3.88Å; L170-L207 HydrophobicContact CD2-CD2 3.94Å; I173-L207 HydrophobicContact CD1-CB 4.11Å; I173-L207 HydrophobicContact CD1-CD1 4.01Å; Y203-L207 HydrophobicContact CD1-CD1 4.42Å; Y203-L207 HydrophobicContact CE1-CD1 4.14Å; Y203-L207 HydrophobicContact CE1-CD2 4.14Å; Y203-L207 HydrophobicContact CE1-CG 4.43Å; V204-L207 WeakPolarHBondContact O-CB 3.06Å; V204-L207 PolarHBondContact O-N 3.3Å; V204-L207 VanDerWaalsContact O-N 3.14Å; L207-A209 PolarHBondContact O-N 3.39Å; L207-A209 VanDerWaalsContact O-N 3.14Å; L207-I211 HydrophobicContact CB-CD1 3.82Å; L207-I211 HydrophobicContact CD1-CD1 3.56Å; L207-I211 HydrophobicContact CG-CD1 4.26Å
208	S	95.5	Very high	97.4	Very high	101 Å²	101	66 Å²	66	71%	0.706	38%	0.378	S	S	*	.	S	Bend	trans	-77	3.5	-172.9	64.5	0	0	0	0	115.5
209	A	97.3	Very high	97.1	Very high	24 Å²	24	63.9 Å²	63.9	20%	0.198	36%	0.358	C	S	.	.	S	Bend	trans	-113.2	157.1	-176.8	0	0	0	0	0	110.8	I173 L207 I211	I173-A209 HydrophobicContact CD1-CB 3.82Å; I173-A209 HydrophobicContact CG1-CB 3.73Å; I173-A209 HydrophobicContact CG2-CB 4.36Å; L207-A209 PolarHBondContact O-N 3.39Å; L207-A209 VanDerWaalsContact O-N 3.14Å; A209-I211 HydrophobicContact CB-CG1 4.32Å; A209-I211 PolarHBondContact O-N 3.25Å; A209-I211 VanDerWaalsContact O-N 3.12Å
210	R	97.9	Very high	96.7	Very high	165 Å²	165	63.1 Å²	63.1	62%	0.623	35%	0.349	S	S	*	.			trans	-72.3	104.5	171.8	179.4	178.6	168.9	131.9	1.8	109.1	E183 I184	E183-R210 CarbonylContact C-O 3.53Å; E183-R210 VanDerWaalsContact CA-O 3.28Å; E183-R210 WeakPolarHBondContact CA-O 3.27Å; E183-R210 HydrophobicContact CB-CB 4.26Å; E183-R210 HydrophobicContact CB-CG 4Å; E183-R210 WeakPolarHBondContact CB-O 3.43Å; E183-R210 IonicContact OE2-CZ 2.73Å; E183-R210 IonicContact OE2-NE 3.11Å; E183-R210 PolarHBondContact OE2-NE 2.8Å; E183-R210 IonicContact OE2-NH2 2.71Å; I184-R210 PolarHBondContact N-O 3.44Å
211	I	98.6	Very high	96.3	Very high	31 Å²	31	63.1 Å²	63.1	16%	0.159	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	129.6	179.7	-52.3	172.7	0	0	0	108.6	V169 I173 I184 L186 V204 L207 A209	V169-I211 HydrophobicContact CG1-CD1 3.94Å; I173-I211 HydrophobicContact CD1-CD1 4.03Å; I184-I211 HydrophobicContact CB-CG1 4.23Å; I184-I211 HydrophobicContact CB-CG2 4.47Å; I184-I211 HydrophobicContact CD1-CG1 4.47Å; I184-I211 WeakPolarHBondContact O-CA 3.38Å; L186-I211 HydrophobicContact CD1-CG2 3.92Å; L186-I211 HydrophobicContact CG-CG2 3.92Å; V204-I211 HydrophobicContact CB-CB 4.37Å; V204-I211 HydrophobicContact CB-CD1 4.13Å; V204-I211 HydrophobicContact CB-CG2 4.11Å; V204-I211 HydrophobicContact CG1-CD1 4.5Å; V204-I211 HydrophobicContact CG1-CG2 4.3Å; V204-I211 HydrophobicContact CG2-CG2 4.47Å; L207-I211 HydrophobicContact CB-CD1 3.82Å; L207-I211 HydrophobicContact CD1-CD1 3.56Å; L207-I211 HydrophobicContact CG-CD1 4.26Å; A209-I211 HydrophobicContact CB-CG1 4.32Å; A209-I211 PolarHBondContact O-N 3.25Å; A209-I211 VanDerWaalsContact O-N 3.12Å
212	S	98.2	Very high	95.9	Very high	42 Å²	42	60.4 Å²	60.4	29%	0.294	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	141.1	170.4	62.7	0	0	0	0	110	I184 L186	I184-S212 PolarHBondContact O-N 2.86Å; L186-S212 PolarHBondContact N-O 2.85Å
213	I	98.6	Very high	95.6	Very high	42 Å²	42	56.6 Å²	56.6	22%	0.215	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	120.5	173.1	-59.8	169.5	0	0	0	107.6	L186 L200 E201 V204 R215	L186-I213 HydrophobicContact CB-CG1 4.23Å; L186-I213 HydrophobicContact CD1-CG1 4.34Å; L186-I213 CarbonylContact O-C 3.56Å; L186-I213 WeakPolarHBondContact O-CA 3.26Å; L200-I213 HydrophobicContact CD2-CD1 4.1Å; L200-I213 HydrophobicContact CG-CD1 3.88Å; E201-I213 HydrophobicContact CB-CD1 4.41Å; E201-I213 HydrophobicContact CG-CD1 3.71Å; V204-I213 HydrophobicContact CG2-CD1 3.67Å; V204-I213 HydrophobicContact CG2-CG1 4.24Å; I213-R215 HydrophobicContact CG2-CG 3.9Å
214	V	98.2	Very high	95.3	Very high	24 Å²	24	56.4 Å²	56.4	15%	0.145	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	115.7	176.4	-175.4	0	0	0	0	107.7	I185 L186 V187 D188 L228 K232	I185-V214 HydrophobicContact CG2-CG2 3.81Å; L186-V214 PolarHBondContact O-N 2.97Å; V187-V214 CarbonylContact C-O 3.44Å; V187-V214 VanDerWaalsContact CA-O 3.31Å; V187-V214 WeakPolarHBondContact CA-O 3.45Å; D188-V214 PolarHBondContact N-O 3.11Å; V214-L228 HydrophobicContact CG1-CD1 4Å; V214-L228 HydrophobicContact CG1-CD2 3.75Å; V214-L228 HydrophobicContact CG1-CG 3.67Å; V214-K232 HydrophobicContact CG2-CG 4.1Å
215	R	97.9	Very high	95.2	Very high	72 Å²	72	55.9 Å²	55.9	27%	0.272	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	124.2	-176.6	-54.5	-168.8	179.6	-86.2	3.9	110.7	D188 L196 K197 E201 I213	D188-R215 HydrophobicContact CB-CB 4.37Å; D188-R215 HydrophobicContact CB-CG 4.04Å; D188-R215 IonicContact OD2-CZ 3.98Å; D188-R215 IonicContact OD2-NH1 3.88Å; D188-R215 PolarHBondContact OD2-NH1 3Å; L196-R215 PolarHBondContact O-NH1 3.12Å; L196-R215 PolarHBondContact O-NH2 2.88Å; L196-R215 VanDerWaalsContact O-NH2 3.11Å; K197-R215 PolarHBondContact O-NH2 2.96Å; E201-R215 IonicContact OE1-CZ 2.91Å; E201-R215 IonicContact OE1-NE 3.49Å; E201-R215 PolarHBondContact OE1-NE 2.79Å; E201-R215 VanDerWaalsContact OE1-NE 3.11Å; E201-R215 IonicContact OE1-NH2 2.75Å; E201-R215 PolarHBondContact OE1-NH2 2.89Å; I213-R215 HydrophobicContact CG2-CG 3.9Å
216	A	96.3	Very high	95.1	Very high	15 Å²	15	52 Å²	52	12%	0.124	28%	0.277	C	S	.	.			trans	-70.1	144.4	170.9	0	0	0	0	0	110.5	D188 K218 L228	D188-A216 PolarHBondContact O-N 2.92Å; A216-K218 VanDerWaalsContact C-N 3.34Å; A216-L228 HydrophobicContact CB-CD2 4.41Å
217	T	94.1	Very high	95.1	Very high	134 Å²	134	47.3 Å²	47.3	82%	0.822	25%	0.248	S	C	*	.	S	Bend	trans	-82.5	-14.1	179.1	54.6	0	0	0	0	113.4	F190	F190-T217 WeakPolarHBondContact CE2-O 3.45Å
218	K	92.8	Very high	95	Very high	142 Å²	142	48.1 Å²	48.1	62%	0.617	25%	0.252	S	S	*	.	S	Bend	trans	-149.1	156.6	176.5	68.9	-177.4	-178.1	-178.4	0	109.7	A216 S220	A216-K218 VanDerWaalsContact C-N 3.34Å; K218-S220 PolarHBondContact O-N 3.27Å; K218-S220 PolarHBondContact O-OG 3.06Å
219	R	91.5	Very high	95.2	Very high	36 Å²	36	43.3 Å²	43.3	14%	0.136	22%	0.218	C	C	.	.			trans	-65.9	106.6	173.9	-174.4	64	-171.1	-68.5	-14.5	110.5	H158 D189 F190 D386 P388	H158-R219 VanDerWaalsContact CD2-CZ 3.46Å; H158-R219 PolarHBondContact CD2-NH1 2.59Å; H158-R219 PolarHBondContact CE1-NH1 2.85Å; H158-R219 PolarHBondContact NE2-NH1 3.04Å; D189-R219 WeakPolarHBondContact O-CD 3.44Å; D189-R219 WeakPolarHBondContact OD2-CD 3.24Å; D189-R219 IonicContact OD2-CZ 3.46Å; D189-R219 IonicContact OD2-NE 3.68Å; D189-R219 PolarHBondContact OD2-NE 3.1Å; F190-R219 HydrophobicContact CB-CB 4.28Å; F190-R219 HydrophobicContact CD1-CB 4.24Å; R219-D386 IonicContact CZ-OD1 3.67Å; R219-D386 IonicContact NH1-OD1 3.34Å; R219-D386 PolarHBondContact NH1-OD1 3.01Å; R219-D386 IonicContact NH1-OD2 2.83Å; R219-P388 HydrophobicContact CB-CG 3.93Å; R219-P388 HydrophobicContact CG-CG 3.61Å
220	S	89.4	Confident	95.2	Very high	33 Å²	33	42.2 Å²	42.2	23%	0.231	21%	0.209	C	C	.	.			trans	-109.4	-26.5	-173.1	-55.2	0	0	0	0	111.9	D189 K218	D189-S220 PolarHBondContact OD1-N 2.04Å; K218-S220 PolarHBondContact O-N 3.27Å; K218-S220 PolarHBondContact O-OG 3.06Å
221	G	89.3	Confident	95.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.2	C	C	.	.			trans	86.8	176.8	176.4	0	0	0	0	0	114.4	D189 V223 Q224 A225	D189-G221 VanDerWaalsContact CG-N 3.32Å; D189-G221 PolarHBondContact OD1-N 3.16Å; D189-G221 VanDerWaalsContact OD1-N 3.11Å; D189-G221 WeakPolarHBondContact OD2-CA 3.45Å; D189-G221 PolarHBondContact OD2-N 3.49Å; G221-V223 PolarHBondContact O-N 3.13Å; G221-Q224 PolarHBondContact O-N 3.16Å; G221-A225 WeakPolarHBondContact O-CB 2.94Å; G221-A225 PolarHBondContact O-N 3.07Å
222	L	90.2	Very high	95.2	Very high	30 Å²	30	43.3 Å²	43.3	16%	0.157	22%	0.219	C	C	.	.	H	α-helix	trans	-52.4	-50.2	-163.9	-174.8	67.1	0	0	0	113.2	V156 A225 R226 I348	V156-L222 HydrophobicContact CB-CD1 4.06Å; V156-L222 HydrophobicContact CG1-CD1 4.03Å; L222-A225 PolarHBondContact O-N 3.35Å; L222-R226 HydrophobicContact CD1-CG 4.2Å; L222-R226 HydrophobicContact CG-CG 4.4Å; L222-R226 WeakPolarHBondContact O-CB 3.23Å; L222-R226 VanDerWaalsContact O-CG 3.28Å; L222-R226 WeakPolarHBondContact O-CG 3.32Å; L222-R226 PolarHBondContact O-N 3.47Å; L222-I348 WeakPolarHBondContact CA-O 3.27Å; L222-I348 VanDerWaalsContact CB-O 3.23Å; L222-I348 WeakPolarHBondContact CB-O 3.17Å; L222-I348 PolarHBondContact N-O 2.76Å
223	V	91.5	Very high	95.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.2	-51.4	-175.7	177.2	0	0	0	0	111.4	G221 R226 L227 Y342 M346 I348 E352	G221-V223 PolarHBondContact O-N 3.13Å; V223-R226 PolarHBondContact O-N 3.44Å; V223-L227 HydrophobicContact CG1-CD1 4.41Å; V223-L227 WeakPolarHBondContact O-CG 3.41Å; V223-L227 PolarHBondContact O-N 3.17Å; V223-Y342 HydrophobicContact CG1-CD1 4.44Å; V223-Y342 HydrophobicContact CG1-CG 4.09Å; V223-M346 HydrophobicContact CG1-CB 4.39Å; V223-M346 HydrophobicContact CG2-CB 4.26Å; V223-I348 PolarHBondContact N-O 2.85Å; V223-E352 HydrophobicContact CG2-CB 3.95Å; V223-E352 HydrophobicContact CG2-CG 4.02Å
224	Q	93.1	Very high	95.2	Very high	63 Å²	63	42.6 Å²	42.6	29%	0.294	22%	0.215	S	C	.	.	H	α-helix	trans	-67	-39.8	-178.9	-67.1	-59.3	-45.7	0	0	112	G221 L227 L228 R344	G221-Q224 PolarHBondContact O-N 3.16Å; Q224-L227 PolarHBondContact O-N 2.89Å; Q224-L228 WeakPolarHBondContact O-CB 3.49Å; Q224-L228 PolarHBondContact O-N 3.35Å; Q224-R344 PolarHBondContact NE2-O 3.18Å
225	A	95.5	Very high	95.2	Very high	2 Å²	2	41.5 Å²	41.5	2%	0.017	21%	0.208	C	C	.	.	H	α-helix	trans	-65.5	-38.5	176.6	0	0	0	0	0	111.9	V156 V187 D189 G221 L222 L228 G229	V156-A225 HydrophobicContact CB-CB 4.28Å; V156-A225 HydrophobicContact CG1-CB 3.42Å; V156-A225 VanDerWaalsContact CG1-CB 3.42Å; V156-A225 HydrophobicContact CG2-CB 3.82Å; V187-A225 HydrophobicContact CG1-CB 3.9Å; V187-A225 WeakPolarHBondContact CG1-O 3.44Å; D189-A225 HydrophobicContact CB-CB 4.02Å; G221-A225 WeakPolarHBondContact O-CB 2.94Å; G221-A225 PolarHBondContact O-N 3.07Å; L222-A225 PolarHBondContact O-N 3.35Å; A225-L228 PolarHBondContact O-N 3.18Å; A225-G229 PolarHBondContact O-N 3.31Å
226	R	96.4	Very high	95.3	Very high	4 Å²	4	42 Å²	42	2%	0.015	22%	0.217	C	C	.	.	H	α-helix	trans	-64.3	-40.7	173.6	-76	-176.4	176.9	-168	-2	111.9	V156 L222 V223 G229 A230 F240 D242 G326 G327 Y342	V156-R226 HydrophobicContact CG2-CB 4.39Å; V156-R226 HydrophobicContact CG2-CG 3.61Å; L222-R226 HydrophobicContact CD1-CG 4.2Å; L222-R226 HydrophobicContact CG-CG 4.4Å; L222-R226 WeakPolarHBondContact O-CB 3.23Å; L222-R226 VanDerWaalsContact O-CG 3.28Å; L222-R226 WeakPolarHBondContact O-CG 3.32Å; L222-R226 PolarHBondContact O-N 3.47Å; V223-R226 PolarHBondContact O-N 3.44Å; R226-G229 PolarHBondContact O-N 3.29Å; R226-A230 WeakPolarHBondContact O-CB 3.49Å; R226-A230 PolarHBondContact O-N 3.14Å; R226-F240 HydrophobicContact CB-CD1 4.1Å; R226-F240 HydrophobicContact CB-CE1 3.79Å; R226-F240 HydrophobicContact CG-CD1 3.87Å; R226-F240 HydrophobicContact CG-CE1 4.1Å; R226-D242 IonicContact NH2-OD1 2.72Å; R226-D242 PolarHBondContact NH2-OD1 3.21Å; R226-G326 PolarHBondContact NH1-O 2.85Å; R226-G326 PolarHBondContact NH2-O 3.37Å; R226-G326 VanDerWaalsContact NH2-O 3.07Å; R226-G327 PolarHBondContact NH2-O 3.31Å; R226-Y342 HydrophobicContact CB-CD2 4.38Å; R226-Y342 HydrophobicContact CB-CE2 4.02Å; R226-Y342 PolarHBondContact NH1-OH 2.89Å
227	L	96.5	Very high	95.4	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.021	21%	0.211	C	C	.	.	H	α-helix	trans	-62.2	-44.9	174.1	-73.9	172.9	0	0	0	111.8	V223 Q224 G229 A230 E231 F336 Y342 R344	V223-L227 HydrophobicContact CG1-CD1 4.41Å; V223-L227 WeakPolarHBondContact O-CG 3.41Å; V223-L227 PolarHBondContact O-N 3.17Å; Q224-L227 PolarHBondContact O-N 2.89Å; L227-G229 VanDerWaalsContact C-N 3.31Å; L227-G229 PolarHBondContact O-N 3.47Å; L227-A230 PolarHBondContact O-N 2.7Å; L227-A230 VanDerWaalsContact O-N 3.17Å; L227-E231 WeakPolarHBondContact O-CG 3.4Å; L227-E231 PolarHBondContact O-N 3.47Å; L227-F336 HydrophobicContact CD2-CE1 4.4Å; L227-F336 HydrophobicContact CD2-CZ 4.17Å; L227-Y342 HydrophobicContact CD2-CD2 4.29Å; L227-Y342 HydrophobicContact CG-CD2 4.39Å; L227-R344 HydrophobicContact CD1-CG 3.9Å
228	L	97.2	Very high	95.6	Very high	47 Å²	47	35 Å²	35	25%	0.246	17%	0.172	C	C	.	.	H	α-helix	trans	-58.6	-42.4	176.3	179.2	59.9	0	0	0	111.9	V187 V214 A216 Q224 A225 K232	V187-L228 HydrophobicContact CG1-CB 4.48Å; V187-L228 HydrophobicContact CG1-CD2 4.03Å; V187-L228 HydrophobicContact CG1-CG 4.41Å; V214-L228 HydrophobicContact CG1-CD1 4Å; V214-L228 HydrophobicContact CG1-CD2 3.75Å; V214-L228 HydrophobicContact CG1-CG 3.67Å; A216-L228 HydrophobicContact CB-CD2 4.41Å; Q224-L228 WeakPolarHBondContact O-CB 3.49Å; Q224-L228 PolarHBondContact O-N 3.35Å; A225-L228 PolarHBondContact O-N 3.18Å; L228-K232 WeakPolarHBondContact O-CG 3.2Å; L228-K232 PolarHBondContact O-N 3.33Å
229	G	98.2	Very high	95.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-65.5	-44.1	173.8	0	0	0	0	0	113	A225 R226 L227 E231 K232 A233	A225-G229 PolarHBondContact O-N 3.31Å; R226-G229 PolarHBondContact O-N 3.29Å; L227-G229 VanDerWaalsContact C-N 3.31Å; L227-G229 PolarHBondContact O-N 3.47Å; G229-E231 VanDerWaalsContact C-N 3.34Å; G229-E231 PolarHBondContact O-N 3.04Å; G229-K232 PolarHBondContact O-N 2.87Å; G229-A233 PolarHBondContact O-N 3.34Å; G229-A233 VanDerWaalsContact O-N 3.13Å
230	A	98.1	Very high	96.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-62	-39.9	178.6	0	0	0	0	0	112.4	I154 R226 L227 K232 A233 L238 F240 F336 Y337	I154-A230 HydrophobicContact CD1-CB 4.15Å; R226-A230 WeakPolarHBondContact O-CB 3.49Å; R226-A230 PolarHBondContact O-N 3.14Å; L227-A230 PolarHBondContact O-N 2.7Å; L227-A230 VanDerWaalsContact O-N 3.17Å; A230-K232 PolarHBondContact O-N 2.99Å; A230-A233 WeakPolarHBondContact O-CB 3.49Å; A230-A233 PolarHBondContact O-N 3.39Å; A230-L238 HydrophobicContact CB-CD1 3.92Å; A230-F240 HydrophobicContact CB-CZ 4.22Å; A230-F336 HydrophobicContact CB-CE1 3.99Å; A230-F336 HydrophobicContact CB-CZ 4.48Å; A230-Y337 PolarHBondContact O-OH 3.24Å
231	E	97.8	Very high	96.7	Very high	94 Å²	94	25.2 Å²	25.2	44%	0.439	13%	0.126	S	C	.	.	H	α-helix	trans	-63.8	-27.7	177.3	-74.4	176.9	178.7	0	0	112.9	L227 G229 Y337 R344	L227-E231 WeakPolarHBondContact O-CG 3.4Å; L227-E231 PolarHBondContact O-N 3.47Å; G229-E231 VanDerWaalsContact C-N 3.34Å; G229-E231 PolarHBondContact O-N 3.04Å; E231-Y337 WeakPolarHBondContact CA-OH 3.42Å; E231-Y337 PolarHBondContact N-OH 2.93Å; E231-R344 IonicContact OE1-CZ 3.04Å; E231-R344 IonicContact OE1-NH2 3.8Å; E231-R344 PolarHBondContact OE1-NH2 3.38Å
232	K	98.3	Very high	97.1	Very high	126 Å²	126	26.5 Å²	26.5	55%	0.548	13%	0.133	S	C	.	.	H	α-helix	trans	-88.9	-15.7	176.3	-63.3	-60.1	-177.2	-174.6	0	113.9	I185 V214 L228 G229 A230	I185-K232 HydrophobicContact CD1-CB 4.17Å; V214-K232 HydrophobicContact CG2-CG 4.1Å; L228-K232 WeakPolarHBondContact O-CG 3.2Å; L228-K232 PolarHBondContact O-N 3.33Å; G229-K232 PolarHBondContact O-N 2.87Å; A230-K232 PolarHBondContact O-N 2.99Å
233	A	98.6	Very high	97.4	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.008	13%	0.128	C	C	.	.			trans	-66.4	138.1	-178	0	0	0	0	0	112.9	I154 I185 G229 A230 L238 R333	I154-A233 HydrophobicContact CD1-CB 4.4Å; I185-A233 HydrophobicContact CD1-CB 3.91Å; G229-A233 PolarHBondContact O-N 3.34Å; G229-A233 VanDerWaalsContact O-N 3.13Å; A230-A233 WeakPolarHBondContact O-CB 3.49Å; A230-A233 PolarHBondContact O-N 3.39Å; A233-L238 HydrophobicContact CB-CD2 3.37Å; A233-R333 PolarHBondContact O-NE 2.9Å; A233-R333 VanDerWaalsContact O-NE 3.1Å; A233-R333 PolarHBondContact O-NH2 3.32Å
234	T	98.5	Very high	97.7	Very high	68 Å²	68	26.2 Å²	26.2	42%	0.417	13%	0.132	S	C	.	.			trans	-116.3	-9.2	179.7	64.6	0	0	0	0	114.4	S152 E183	S152-T234 PolarHBondContact OG-N 2.85Å; E183-T234 WeakPolarHBondContact OE1-CB 3.37Å; E183-T234 PolarHBondContact OE1-N 2.84Å; E183-T234 PolarHBondContact OE1-OG1 3.24Å
235	G	98.6	Very high	98	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.01	12%	0.118	C	C	.	.	S	Bend	trans	-72.1	163.5	175.6	0	0	0	0	0	113.2	S152 V237 R333	S152-G235 PolarHBondContact OG-N 3.23Å; G235-V237 VanDerWaalsContact C-N 3.33Å; G235-R333 WeakPolarHBondContact O-CD 3.48Å
236	D	98.8	Very high	98.1	Very high	83 Å²	83	23.3 Å²	23.3	44%	0.444	12%	0.118	S	C	.	.	S	Bend	trans	-70	-33.4	179.2	-52.7	-63	0	0	0	111.8	P149 T150 R333	P149-D236 HydrophobicContact CB-CB 3.78Å; T150-D236 PolarHBondContact N-OD2 3.26Å; T150-D236 WeakPolarHBondContact O-CB 3.28Å; T150-D236 PolarHBondContact O-N 2.86Å; T150-D236 PolarHBondContact OG1-N 3.35Å; T150-D236 PolarHBondContact OG1-OD2 3.42Å; D236-R333 VanDerWaalsContact O-CB 3.24Å; D236-R333 WeakPolarHBondContact O-CB 3.39Å; D236-R333 PolarHBondContact O-N 2.83Å
237	V	98.9	Very high	98.2	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.006	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	133.4	180	174.5	0	0	0	0	110.6	P149 T150 T151 S152 G235 L256 I259 I331	P149-V237 HydrophobicContact CB-CG2 4.02Å; P149-V237 HydrophobicContact CG-CG2 3.94Å; T150-V237 PolarHBondContact O-N 2.99Å; T151-V237 CarbonylContact C-O 3.55Å; T151-V237 WeakPolarHBondContact CA-O 3.46Å; T151-V237 PolarHBondContact OG1-O 3.09Å; S152-V237 PolarHBondContact N-O 3.28Å; G235-V237 VanDerWaalsContact C-N 3.33Å; V237-L256 HydrophobicContact CB-CD2 3.9Å; V237-L256 HydrophobicContact CG1-CD2 3.84Å; V237-L256 HydrophobicContact CG2-CD2 3.95Å; V237-I259 HydrophobicContact CG1-CD1 3.63Å; V237-I259 HydrophobicContact CG2-CD1 4.14Å; V237-I259 HydrophobicContact CG2-CG2 3.91Å; V237-I331 WeakPolarHBondContact CA-O 3.49Å; V237-I331 WeakPolarHBondContact CG1-O 3.38Å
238	L	98.9	Very high	98.3	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	122.7	168.1	-54.1	-179.4	0	0	0	108.7	I154 A230 A233 F240 S330 I331 R333 F336	I154-L238 HydrophobicContact CD1-CB 4.38Å; I154-L238 HydrophobicContact CD1-CD2 4.16Å; A230-L238 HydrophobicContact CB-CD1 3.92Å; A233-L238 HydrophobicContact CB-CD2 3.37Å; L238-F240 HydrophobicContact CB-CE2 3.82Å; L238-F240 HydrophobicContact CB-CZ 4.24Å; L238-F240 HydrophobicContact CD1-CE2 4.38Å; L238-F240 HydrophobicContact CD1-CZ 4.25Å; L238-S330 CarbonylContact O-C 3.59Å; L238-S330 VanDerWaalsContact O-CA 3.26Å; L238-S330 WeakPolarHBondContact O-CA 3.36Å; L238-I331 HydrophobicContact CB-CG2 4.07Å; L238-I331 PolarHBondContact N-O 3.39Å; L238-I331 PolarHBondContact O-N 3.2Å; L238-R333 HydrophobicContact CD1-CB 4.46Å; L238-R333 HydrophobicContact CD1-CG 4.24Å; L238-R333 HydrophobicContact CD2-CB 4.14Å; L238-R333 HydrophobicContact CD2-CG 3.91Å; L238-R333 HydrophobicContact CG-CB 3.92Å; L238-R333 HydrophobicContact CG-CG 4.02Å; L238-F336 HydrophobicContact CD1-CB 4.11Å; L238-F336 HydrophobicContact CD1-CD1 3.59Å; L238-F336 HydrophobicContact CD1-CD2 4.5Å; L238-F336 HydrophobicContact CD1-CE1 4.07Å; L238-F336 HydrophobicContact CD1-CG 3.83Å
239	T	98.9	Very high	98.3	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.006	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	114.9	173.4	-64	0	0	0	0	109.2	T151 S152 V153 I154 L241 W251 F329 S330	T151-T239 WeakPolarHBondContact OG1-CB 3.09Å; T151-T239 PolarHBondContact OG1-OG1 3.05Å; S152-T239 PolarHBondContact O-N 2.95Å; V153-T239 CarbonylContact C-O 3.59Å; V153-T239 WeakPolarHBondContact CA-O 3.5Å; V153-T239 HydrophobicContact CG2-CG2 4.44Å; I154-T239 PolarHBondContact N-O 3.28Å; T239-L241 HydrophobicContact CG2-CG 4.39Å; T239-W251 HydrophobicContact CG2-CH2 3.9Å; T239-W251 HydrophobicContact CG2-CZ3 4.01Å; T239-F329 WeakPolarHBondContact CA-O 3.37Å; T239-S330 WeakPolarHBondContact CG2-OG 3.41Å; T239-S330 PolarHBondContact OG1-OG 2.81Å
240	F	98.7	Very high	98.2	Very high	1 Å²	1	25.5 Å²	25.5	0%	0.004	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	130.7	178.3	-63.2	-86.6	0	0	0	109.8	I154 R226 A230 L238 L328 F329 I331 F336	I154-F240 HydrophobicContact CB-CD1 3.96Å; I154-F240 HydrophobicContact CB-CE1 4.15Å; I154-F240 HydrophobicContact CD1-CD1 4.16Å; I154-F240 HydrophobicContact CD1-CE1 3.58Å; I154-F240 HydrophobicContact CD1-CZ 3.86Å; I154-F240 HydrophobicContact CG1-CE1 4.49Å; I154-F240 HydrophobicContact CG2-CD1 4.05Å; I154-F240 HydrophobicContact CG2-CE1 4.11Å; R226-F240 HydrophobicContact CB-CD1 4.1Å; R226-F240 HydrophobicContact CB-CE1 3.79Å; R226-F240 HydrophobicContact CG-CD1 3.87Å; R226-F240 HydrophobicContact CG-CE1 4.1Å; A230-F240 HydrophobicContact CB-CZ 4.22Å; L238-F240 HydrophobicContact CB-CE2 3.82Å; L238-F240 HydrophobicContact CB-CZ 4.24Å; L238-F240 HydrophobicContact CD1-CE2 4.38Å; L238-F240 HydrophobicContact CD1-CZ 4.25Å; F240-L328 WeakPolarHBondContact O-CA 3.43Å; F240-F329 HydrophobicContact CB-CD1 4.16Å; F240-F329 HydrophobicContact CB-CE1 3.85Å; F240-F329 HydrophobicContact CB-CZ 4.33Å; F240-F329 HydrophobicContact CD2-CD1 4.33Å; F240-F329 HydrophobicContact CD2-CD2 4.23Å; F240-F329 AromaticContact CD2-CE1 3.64Å; F240-F329 HydrophobicContact CD2-CE1 3.64Å; F240-F329 AromaticContact CD2-CE2 3.56Å; F240-F329 HydrophobicContact CD2-CE2 3.56Å; F240-F329 AromaticContact CD2-CZ 3.21Å; F240-F329 HydrophobicContact CD2-CZ 3.21Å; F240-F329 HydrophobicContact CE2-CE1 4.46Å; F240-F329 AromaticContact CE2-CE2 3.88Å; F240-F329 HydrophobicContact CE2-CE2 3.88Å; F240-F329 AromaticContact CE2-CZ 3.65Å; F240-F329 HydrophobicContact CE2-CZ 3.65Å; F240-F329 AromaticContact CG-CE1 3.92Å; F240-F329 HydrophobicContact CG-CE1 3.92Å; F240-F329 AromaticContact CG-CZ 3.92Å; F240-F329 HydrophobicContact CG-CZ 3.92Å; F240-F329 PolarHBondContact N-O 2.92Å; F240-F329 PolarHBondContact O-N 3.29Å; F240-I331 HydrophobicContact CE2-CG2 4.29Å; F240-F336 HydrophobicContact CE2-CE2 4.38Å; F240-F336 HydrophobicContact CZ-CE2 4.34Å; F240-F336 HydrophobicContact CZ-CZ 4.32Å
241	L	98.7	Very high	98.2	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.021	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	142.8	172.4	-63.4	177.6	0	0	0	110.2	V153 I154 I155 V172 T239 W251 L328 V375	V153-L241 HydrophobicContact CG1-CD1 3.74Å; V153-L241 HydrophobicContact CG1-CG 4.18Å; I154-L241 PolarHBondContact O-N 3.09Å; I155-L241 WeakPolarHBondContact CA-O 3.12Å; I155-L241 HydrophobicContact CG1-CB 4.15Å; V172-L241 HydrophobicContact CG2-CD1 3.57Å; T239-L241 HydrophobicContact CG2-CG 4.39Å; L241-W251 HydrophobicContact CD1-CH2 3.92Å; L241-W251 HydrophobicContact CD1-CZ3 4.38Å; L241-W251 HydrophobicContact CD2-CH2 4.5Å; L241-W251 HydrophobicContact CD2-CZ3 4.19Å; L241-L328 HydrophobicContact CB-CD2 4.33Å; L241-L328 HydrophobicContact CD2-CB 4.32Å; L241-L328 HydrophobicContact CD2-CD2 3.8Å; L241-V375 HydrophobicContact CD2-CG1 4.39Å
242	D	97.4	Very high	98.2	Very high	26 Å²	26	21 Å²	21	14%	0.139	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	155	167.5	-68.8	-17	0	0	0	110.4	R226 H244 C245 G327 L328 H377	R226-D242 IonicContact NH2-OD1 2.72Å; R226-D242 PolarHBondContact NH2-OD1 3.21Å; D242-H244 PolarHBondContact O-N 2.99Å; D242-C245 PolarHBondContact O-SG 3.21Å; D242-G327 WeakPolarHBondContact OD2-CA 3.38Å; D242-L328 HydrophobicContact CB-CD2 4.36Å; D242-H377 IonicContact OD2-CD2 2.76Å; D242-H377 IonicContact OD2-CE1 3.54Å; D242-H377 IonicContact OD2-NE2 3.63Å; D242-H377 PolarHBondContact OD2-NE2 2.91Å
243	S	97.9	Very high	98.2	Very high	7 Å²	7	16.9 Å²	16.9	5%	0.049	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	4.2	-173.7	55.2	0	0	0	0	116.2	V156 E160 T164 L165 T168	V156-S243 WeakPolarHBondContact O-CB 3.28Å; E160-S243 WeakPolarHBondContact CG-OG 3.38Å; E160-S243 PolarHBondContact OE2-OG 2.81Å; T164-S243 CarbonylContact C-O 3.49Å; T164-S243 VanDerWaalsContact C-O 3.29Å; L165-S243 WeakPolarHBondContact CA-O 3.43Å; L165-S243 PolarHBondContact N-O 3.23Å; T168-S243 VanDerWaalsContact OG1-C 3.25Å; T168-S243 PolarHBondContact OG1-O 2.88Å; T168-S243 VanDerWaalsContact OG1-O 3.05Å
244	H	97.6	Very high	98.2	Very high	18 Å²	18	17.2 Å²	17.2	8%	0.083	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.5	50.2	-177.6	43.9	-91.4	0	0	0	110.8	E160 T164 T168 D242 H377 I378	E160-H244 IonicContact OE2-CG 2.77Å; E160-H244 IonicContact OE2-ND1 3.75Å; E160-H244 PolarHBondContact OE2-ND1 3.31Å; T164-H244 HydrophobicContact CG2-CB 4.3Å; T168-H244 PolarHBondContact OG1-N 2.85Å; D242-H244 PolarHBondContact O-N 2.99Å; H244-H377 AromaticContact CD2-CE1 3.7Å; H244-H377 AromaticContact CD2-NE2 3.66Å; H244-H377 AromaticContact NE2-CE1 3.42Å; H244-H377 PolarHBondContact NE2-CE1 3.41Å; H244-H377 AromaticContact NE2-NE2 3.34Å; H244-H377 PolarHBondContact NE2-NE2 3.07Å; H244-I378 HydrophobicContact CB-CB 4.39Å; H244-I378 HydrophobicContact CB-CD1 4Å; H244-I378 HydrophobicContact CB-CG1 4.33Å; H244-I378 PolarHBondContact CD2-O 2.61Å; H244-I378 PolarHBondContact O-N 3.14Å
245	C	98.3	Very high	98.2	Very high	1 Å²	1	14 Å²	14	1%	0.007	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	162.9	179.3	-59	0	0	0	0	112.4	T168 D242 L328 V375 G376 H377	T168-C245 WeakPolarHBondContact CA-O 3.49Å; T168-C245 WeakPolarHBondContact CB-O 3.32Å; T168-C245 HydrophobicContact CG2-CB 4.08Å; T168-C245 PolarHBondContact OG1-N 3.46Å; T168-C245 PolarHBondContact OG1-O 3.42Å; D242-C245 PolarHBondContact O-SG 3.21Å; C245-L328 WeakPolarHBondContact SG-CD2 3.45Å; C245-V375 HydrophobicContact CB-CG1 3.88Å; C245-G376 CarbonylContact C-O 3.29Å; C245-G376 WeakPolarHBondContact CA-O 3.38Å; C245-G376 WeakPolarHBondContact CB-O 3.24Å; C245-H377 VanDerWaalsContact SG-CD2 3.56Å
246	E	98.5	Very high	98.3	Very high	2 Å²	2	14 Å²	14	1%	0.009	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	107.8	166.6	-59.5	-176.9	-134.1	0	0	109.5	R129 L131 R167 I274 G376	R129-E246 IonicContact CZ-OE1 3.97Å; R129-E246 IonicContact CZ-OE2 3.8Å; R129-E246 IonicContact NE-OE1 3.87Å; R129-E246 PolarHBondContact NE-OE1 2.78Å; R129-E246 IonicContact NE-OE2 3.74Å; R129-E246 PolarHBondContact NE-OE2 2.52Å; R129-E246 VanDerWaalsContact NH2-CD 3.33Å; R129-E246 IonicContact NH2-OE1 3.58Å; R129-E246 PolarHBondContact NH2-OE1 2.86Å; R129-E246 IonicContact NH2-OE2 2.76Å; R129-E246 PolarHBondContact NH2-OE2 2.65Å; L131-E246 HydrophobicContact CD1-CB 3.93Å; R167-E246 VanDerWaalsContact CD-CD 3.42Å; R167-E246 WeakPolarHBondContact CD-OE1 3.23Å; R167-E246 WeakPolarHBondContact CD-OE2 3.43Å; R167-E246 HydrophobicContact CG-CG 3.93Å; R167-E246 IonicContact CZ-OE1 3.45Å; R167-E246 VanDerWaalsContact NE-CD 3.27Å; R167-E246 IonicContact NE-OE1 2.66Å; R167-E246 PolarHBondContact NE-OE1 3.24Å; R167-E246 IonicContact NE-OE2 3.6Å; R167-E246 IonicContact NH2-OE1 3.57Å; E246-I274 HydrophobicContact CB-CD1 4.02Å; E246-I274 HydrophobicContact CG-CD1 3.75Å; E246-G376 PolarHBondContact N-O 2.85Å; E246-G376 PolarHBondContact O-N 3.1Å
247	C	98.7	Very high	98.2	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	140.3	178.2	-56.6	0	0	0	0	110	S171 R175 W251	S171-C247 PolarHBondContact OG-N 2.92Å; R175-C247 WeakPolarHBondContact CD-O 3.36Å; R175-C247 PolarHBondContact NE-O 3.06Å; R175-C247 PolarHBondContact NH1-O 3.04Å; C247-W251 HydrophobicContact CB-CD2 3.74Å; C247-W251 HydrophobicContact CB-CG 3.7Å; C247-W251 HydrophobicContact CB-CZ2 4.35Å
248	A	97.6	Very high	98.2	Very high	3 Å²	3	11.8 Å²	11.8	3%	0.025	7%	0.065	C	C	.	.	P	Polyproline II helix	trans	-89.1	170	174	0	0	0	0	0	111.7	G250 W251 H374	A248-G250 PolarHBondContact O-N 3.28Å; A248-W251 VanDerWaalsContact O-CB 3.31Å; A248-W251 WeakPolarHBondContact O-CB 3.17Å; A248-W251 PolarHBondContact O-N 3.26Å; A248-H374 HydrophobicContact CB-CB 3.87Å; A248-H374 VanDerWaalsContact CB-O 3.3Å; A248-H374 WeakPolarHBondContact CB-O 3.46Å; A248-H374 PolarHBondContact N-O 3.5Å
249	D	96.8	Very high	98.2	Very high	82 Å²	82	11.9 Å²	11.9	44%	0.439	7%	0.066	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	132	177.4	-64.7	-22.3	0	0	0	110.9	R135 R175 W251	R135-D249 PolarHBondContact NE-O 3.05Å; R135-D249 PolarHBondContact NH1-O 3.3Å; R175-D249 VanDerWaalsContact CD-OD1 3.23Å; R175-D249 WeakPolarHBondContact CD-OD1 3.39Å; R175-D249 WeakPolarHBondContact CG-OD1 3.29Å; R175-D249 IonicContact NE-OD1 2.58Å; R175-D249 PolarHBondContact NE-OD1 3.5Å; D249-W251 VanDerWaalsContact C-N 3.32Å; D249-W251 PolarHBondContact O-N 2.79Å
250	G	96.6	Very high	98.2	Very high	16 Å²	16	14.7 Å²	14.7	17%	0.165	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	24.8	-178.4	0	0	0	0	0	114.4	A248 E253 P254	A248-G250 PolarHBondContact O-N 3.28Å; G250-E253 VanDerWaalsContact C-OE2 3.29Å; G250-E253 VanDerWaalsContact CA-OE2 3.28Å; G250-E253 WeakPolarHBondContact CA-OE2 2.96Å; G250-P254 WeakPolarHBondContact O-CD 3.29Å; G250-P254 WeakPolarHBondContact O-CG 2.99Å
251	W	98.3	Very high	98.1	Very high	1 Å²	1	21.7 Å²	21.7	0%	0.004	12%	0.118	C	C	.	.			trans	-70.5	-30.5	179.9	74.7	-72.4	0	0	0	113.2	V172 R175 S176 T239 L241 C247 A248 D249 L255 S373 H374 V375	V172-W251 HydrophobicContact CG1-CZ2 4.37Å; V172-W251 HydrophobicContact CG2-CZ2 4.29Å; R175-W251 VanDerWaalsContact O-CD1 3.25Å; R175-W251 PolarHBondContact O-NE1 3.16Å; S176-W251 PolarHBondContact OG-NE1 3.4Å; T239-W251 HydrophobicContact CG2-CH2 3.9Å; T239-W251 HydrophobicContact CG2-CZ3 4.01Å; L241-W251 HydrophobicContact CD1-CH2 3.92Å; L241-W251 HydrophobicContact CD1-CZ3 4.38Å; L241-W251 HydrophobicContact CD2-CH2 4.5Å; L241-W251 HydrophobicContact CD2-CZ3 4.19Å; C247-W251 HydrophobicContact CB-CD2 3.74Å; C247-W251 HydrophobicContact CB-CG 3.7Å; C247-W251 HydrophobicContact CB-CZ2 4.35Å; A248-W251 VanDerWaalsContact O-CB 3.31Å; A248-W251 WeakPolarHBondContact O-CB 3.17Å; A248-W251 PolarHBondContact O-N 3.26Å; D249-W251 VanDerWaalsContact C-N 3.32Å; D249-W251 PolarHBondContact O-N 2.79Å; W251-L255 HydrophobicContact CE3-CD1 3.99Å; W251-L255 HydrophobicContact CZ3-CD1 4.03Å; W251-S373 VanDerWaalsContact O-CB 3.23Å; W251-S373 WeakPolarHBondContact O-CB 3.41Å; W251-S373 PolarHBondContact O-OG 3.07Å; W251-H374 WeakPolarHBondContact CB-O 3.37Å; W251-V375 HydrophobicContact CB-CG2 4.35Å; W251-V375 HydrophobicContact CD2-CG2 4.18Å; W251-V375 HydrophobicContact CE3-CG2 3.57Å; W251-V375 HydrophobicContact CZ3-CG2 4.25Å
252	L	98.6	Very high	98.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.127	C	C	.	.	S	Bend	trans	-87.3	-43	-165.4	180	59.3	0	0	0	112.4	T151 L180 P254 L255 L256	T151-L252 HydrophobicContact CG2-CD1 3.91Å; T151-L252 HydrophobicContact CG2-CD2 3.95Å; L180-L252 HydrophobicContact CB-CD2 4.4Å; L252-P254 VanDerWaalsContact C-CD 3.45Å; L252-L255 WeakPolarHBondContact O-CB 3.41Å; L252-L255 PolarHBondContact O-N 2.91Å; L252-L256 HydrophobicContact CD1-CD1 3.9Å; L252-L256 HydrophobicContact CD1-CD2 4.23Å; L252-L256 HydrophobicContact CD1-CG 3.87Å; L252-L256 HydrophobicContact CD2-CD1 3.96Å; L252-L256 HydrophobicContact CG-CD1 3.61Å; L252-L256 HydrophobicContact CG-CG 4.02Å; L252-L256 PolarHBondContact O-N 3.5Å; L252-L256 VanDerWaalsContact O-N 3.12Å
253	E	98.3	Very high	98.2	Very high	39 Å²	39	28 Å²	28	18%	0.182	15%	0.146	C	C	.	.	H	α-helix	trans	-56.8	-42.9	-174.8	-57.2	91.7	140.8	0	0	113.4	Y144 L148 P177 L180 G250 L255 L256 A257	Y144-E253 HydrophobicContact CD2-CB 3.64Å; Y144-E253 HydrophobicContact CE2-CB 4.26Å; Y144-E253 HydrophobicContact CG-CB 3.81Å; L148-E253 HydrophobicContact CD1-CB 4.29Å; P177-E253 HydrophobicContact CG-CG 4Å; P177-E253 WeakPolarHBondContact CG-OE1 3.42Å; L180-E253 HydrophobicContact CD1-CG 4.35Å; G250-E253 VanDerWaalsContact C-OE2 3.29Å; G250-E253 VanDerWaalsContact CA-OE2 3.28Å; G250-E253 WeakPolarHBondContact CA-OE2 2.96Å; E253-L255 VanDerWaalsContact C-N 3.26Å; E253-L255 PolarHBondContact O-N 3.42Å; E253-L256 PolarHBondContact O-N 3.18Å; E253-A257 WeakPolarHBondContact O-CB 3.44Å; E253-A257 PolarHBondContact O-N 2.83Å
254	P	98.4	Very high	98.2	Very high	7 Å²	7	29.9 Å²	29.9	5%	0.045	16%	0.157	C	C	.	.	H	α-helix	trans	-61.1	-34.2	176.1	-16.6	26.7	0	0	0	113.1	Y144 G250 L252 R258 M370 C372	Y144-P254 HydrophobicContact CE1-CB 4.2Å; Y144-P254 HydrophobicContact CE1-CG 4.41Å; Y144-P254 HydrophobicContact CE2-CG 4.01Å; Y144-P254 WeakPolarHBondContact OH-CB 3.36Å; Y144-P254 WeakPolarHBondContact OH-CG 3.32Å; G250-P254 WeakPolarHBondContact O-CD 3.29Å; G250-P254 WeakPolarHBondContact O-CG 2.99Å; L252-P254 VanDerWaalsContact C-CD 3.45Å; P254-R258 WeakPolarHBondContact O-CB 3.48Å; P254-R258 PolarHBondContact O-N 3.45Å; P254-M370 HydrophobicContact CB-CB 4.32Å; P254-C372 HydrophobicContact CB-CB 4.32Å; P254-C372 HydrophobicContact CG-CB 4.04Å
255	L	98.7	Very high	98.3	Very high	1 Å²	1	29 Å²	29	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-70.6	-50.6	179.6	-56	174.2	0	0	0	110.2	W251 L252 E253 R258 I259 V267 M370	W251-L255 HydrophobicContact CE3-CD1 3.99Å; W251-L255 HydrophobicContact CZ3-CD1 4.03Å; L252-L255 WeakPolarHBondContact O-CB 3.41Å; L252-L255 PolarHBondContact O-N 2.91Å; E253-L255 VanDerWaalsContact C-N 3.26Å; E253-L255 PolarHBondContact O-N 3.42Å; L255-R258 PolarHBondContact O-N 2.97Å; L255-I259 PolarHBondContact O-N 3.31Å; L255-I259 VanDerWaalsContact O-N 3.15Å; L255-V267 HydrophobicContact CB-CG2 3.81Å; L255-V267 HydrophobicContact CD2-CB 4.1Å; L255-V267 HydrophobicContact CD2-CG2 3.81Å; L255-V267 HydrophobicContact CG-CG2 4.4Å; L255-M370 HydrophobicContact CD2-CB 4.1Å; L255-M370 HydrophobicContact CD2-CG 3.78Å
256	L	98.8	Very high	98.3	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-67	-40.1	-178.5	-60	179.5	0	0	0	112.3	L148 P149 L180 V237 L252 E253 R258 I259 S260	L148-L256 HydrophobicContact CB-CB 4.2Å; L148-L256 HydrophobicContact CD1-CB 4.22Å; P149-L256 HydrophobicContact CG-CB 4.37Å; P149-L256 WeakPolarHBondContact O-CD1 3.24Å; L180-L256 HydrophobicContact CB-CD1 3.99Å; L180-L256 HydrophobicContact CD1-CD1 3.99Å; L180-L256 HydrophobicContact CG-CD1 4.45Å; V237-L256 HydrophobicContact CB-CD2 3.9Å; V237-L256 HydrophobicContact CG1-CD2 3.84Å; V237-L256 HydrophobicContact CG2-CD2 3.95Å; L252-L256 HydrophobicContact CD1-CD1 3.9Å; L252-L256 HydrophobicContact CD1-CD2 4.23Å; L252-L256 HydrophobicContact CD1-CG 3.87Å; L252-L256 HydrophobicContact CD2-CD1 3.96Å; L252-L256 HydrophobicContact CG-CD1 3.61Å; L252-L256 HydrophobicContact CG-CG 4.02Å; L252-L256 PolarHBondContact O-N 3.5Å; L252-L256 VanDerWaalsContact O-N 3.12Å; E253-L256 PolarHBondContact O-N 3.18Å; L256-R258 PolarHBondContact O-N 3.29Å; L256-I259 PolarHBondContact O-N 3.15Å; L256-S260 WeakPolarHBondContact O-CB 3.15Å; L256-S260 PolarHBondContact O-N 3.27Å
257	A	98.5	Very high	98.3	Very high	9 Å²	9	28.9 Å²	28.9	7%	0.074	15%	0.152	C	C	.	.	H	α-helix	trans	-63	-32.3	176.3	0	0	0	0	0	112.6	Y144 L148 E253 S260 Q261	Y144-A257 HydrophobicContact CD1-CB 3.57Å; Y144-A257 HydrophobicContact CE1-CB 4.11Å; L148-A257 HydrophobicContact CD1-CB 4.37Å; L148-A257 HydrophobicContact CD2-CB 3.87Å; E253-A257 WeakPolarHBondContact O-CB 3.44Å; E253-A257 PolarHBondContact O-N 2.83Å; A257-S260 PolarHBondContact O-OG 2.91Å; A257-Q261 VanDerWaalsContact O-CG 3.31Å; A257-Q261 WeakPolarHBondContact O-CG 3.25Å
258	R	98.4	Very high	98.3	Very high	29 Å²	29	29.2 Å²	29.2	11%	0.109	16%	0.155	C	C	.	.	H	α-helix	trans	-74.9	-40.8	176.9	-178.9	63.1	-170.7	88.3	-0.4	111.8	P254 L255 L256 S260 Q261 D262 V265 V267 E368 M370	P254-R258 WeakPolarHBondContact O-CB 3.48Å; P254-R258 PolarHBondContact O-N 3.45Å; L255-R258 PolarHBondContact O-N 2.97Å; L256-R258 PolarHBondContact O-N 3.29Å; R258-S260 VanDerWaalsContact C-N 3.34Å; R258-Q261 PolarHBondContact O-N 2.72Å; R258-D262 PolarHBondContact O-N 2.8Å; R258-V265 HydrophobicContact CG-CG1 4.34Å; R258-V267 HydrophobicContact CB-CG1 3.95Å; R258-V267 HydrophobicContact CG-CG1 3.54Å; R258-E368 IonicContact CZ-OE1 3.68Å; R258-E368 IonicContact CZ-OE2 3.83Å; R258-E368 IonicContact NE-OE1 3.02Å; R258-E368 IonicContact NE-OE2 3.34Å; R258-E368 PolarHBondContact NE-OE2 3.09Å; R258-E368 IonicContact NH2-OE1 2.85Å; R258-E368 PolarHBondContact NH2-OE1 2.89Å; R258-E368 IonicContact NH2-OE2 3.46Å; R258-E368 PolarHBondContact NH2-OE2 3.26Å; R258-M370 HydrophobicContact CB-SD 3.8Å; R258-M370 HydrophobicContact CG-CE 3.94Å; R258-M370 HydrophobicContact CG-SD 3.82Å
259	I	98.7	Very high	98.3	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.01	15%	0.154	C	C	.	.	H	α-helix	trans	-67.1	-36.7	176.7	-67.1	169.9	0	0	0	111.1	V237 L255 L256 Q261 D262 K263 V267 D332	V237-I259 HydrophobicContact CG1-CD1 3.63Å; V237-I259 HydrophobicContact CG2-CD1 4.14Å; V237-I259 HydrophobicContact CG2-CG2 3.91Å; L255-I259 PolarHBondContact O-N 3.31Å; L255-I259 VanDerWaalsContact O-N 3.15Å; L256-I259 PolarHBondContact O-N 3.15Å; I259-Q261 PolarHBondContact O-N 3.31Å; I259-D262 CarbonylContact O-C 3.35Å; I259-D262 PolarHBondContact O-N 3.19Å; I259-K263 PolarHBondContact O-N 3.36Å; I259-V267 HydrophobicContact CD1-CG2 3.77Å; I259-V267 HydrophobicContact CG1-CG1 4.45Å; I259-V267 HydrophobicContact CG1-CG2 3.89Å; I259-D332 HydrophobicContact CG2-CB 3.93Å
260	S	98.2	Very high	98.3	Very high	60 Å²	60	25.6 Å²	25.6	42%	0.42	14%	0.135	S	C	.	.	H	α-helix	trans	-62.5	-28.5	178.1	73.4	0	0	0	0	112.7	L256 A257 R258	L256-S260 WeakPolarHBondContact O-CB 3.15Å; L256-S260 PolarHBondContact O-N 3.27Å; A257-S260 PolarHBondContact O-OG 2.91Å; R258-S260 VanDerWaalsContact C-N 3.34Å
261	Q	97.9	Very high	98.2	Very high	149 Å²	149	25.8 Å²	25.8	70%	0.696	13%	0.132	S	C	*	.	H	α-helix	trans	-78.7	-35.2	176.6	-67.6	167.5	9.9	0	0	113.2	A257 R258 I259	A257-Q261 VanDerWaalsContact O-CG 3.31Å; A257-Q261 WeakPolarHBondContact O-CG 3.25Å; R258-Q261 PolarHBondContact O-N 2.72Å; I259-Q261 PolarHBondContact O-N 3.31Å
262	D	98.4	Very high	98.1	Very high	39 Å²	39	25.7 Å²	25.7	21%	0.209	13%	0.132	C	C	.	.			trans	-153.6	104.1	-180	178.5	-3.8	0	0	0	108.7	R258 I259 T264 V265 K366	R258-D262 PolarHBondContact O-N 2.8Å; I259-D262 CarbonylContact O-C 3.35Å; I259-D262 PolarHBondContact O-N 3.19Å; D262-T264 PolarHBondContact O-N 2.57Å; D262-T264 VanDerWaalsContact O-N 3.11Å; D262-T264 WeakPolarHBondContact OD1-CB 3.3Å; D262-T264 PolarHBondContact OD1-N 2.97Å; D262-T264 PolarHBondContact OD1-OG1 2.85Å; D262-V265 HydrophobicContact CB-CG2 3.9Å; D262-V265 PolarHBondContact O-N 2.94Å; D262-V265 VanDerWaalsContact O-N 3.15Å; D262-V265 WeakPolarHBondContact OD2-CG2 3.49Å; D262-K366 IonicContact OD2-NZ 3.81Å; D262-K366 PolarHBondContact OD2-NZ 3.44Å
263	K	98.5	Very high	97.8	Very high	123 Å²	123	26.1 Å²	26.1	54%	0.535	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-13.8	-176.9	-66.1	-177.9	173.6	-170.8	0	113.6	I259 V265 D332 Y335	I259-K263 PolarHBondContact O-N 3.36Å; K263-V265 VanDerWaalsContact C-N 3.28Å; K263-D332 HydrophobicContact CB-CB 4.03Å; K263-D332 WeakPolarHBondContact CD-OD2 3.49Å; K263-D332 HydrophobicContact CG-CB 4.45Å; K263-D332 WeakPolarHBondContact O-CB 3.46Å; K263-Y335 WeakPolarHBondContact O-CB 3.35Å
264	T	98.6	Very high	97.7	Very high	46 Å²	46	24.3 Å²	24.3	28%	0.282	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-2.5	178.8	73.4	0	0	0	0	113.1	D262 Y335 G365 K366	D262-T264 PolarHBondContact O-N 2.57Å; D262-T264 VanDerWaalsContact O-N 3.11Å; D262-T264 WeakPolarHBondContact OD1-CB 3.3Å; D262-T264 PolarHBondContact OD1-N 2.97Å; D262-T264 PolarHBondContact OD1-OG1 2.85Å; T264-Y335 HydrophobicContact CG2-CD2 4.23Å; T264-Y335 HydrophobicContact CG2-CE2 4.02Å; T264-Y335 VanDerWaalsContact O-CE1 3.22Å; T264-Y335 WeakPolarHBondContact O-CE1 3.45Å; T264-G365 WeakPolarHBondContact O-CA 3.44Å; T264-K366 PolarHBondContact O-N 3.09Å
265	V	98.7	Very high	97.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	127.5	-178.2	-179.4	0	0	0	0	110.4	R258 D262 K263 V267 K366 E368	R258-V265 HydrophobicContact CG-CG1 4.34Å; D262-V265 HydrophobicContact CB-CG2 3.9Å; D262-V265 PolarHBondContact O-N 2.94Å; D262-V265 VanDerWaalsContact O-N 3.15Å; D262-V265 WeakPolarHBondContact OD2-CG2 3.49Å; K263-V265 VanDerWaalsContact C-N 3.28Å; V265-V267 HydrophobicContact CG1-CG1 3.7Å; V265-K366 WeakPolarHBondContact CA-O 3.24Å; V265-K366 HydrophobicContact CG1-CB 4.37Å; V265-K366 HydrophobicContact CG2-CB 3.92Å; V265-K366 HydrophobicContact CG2-CD 4.14Å; V265-K366 HydrophobicContact CG2-CG 4.32Å; V265-E368 HydrophobicContact CG1-CB 4.25Å; V265-E368 HydrophobicContact CG1-CG 4.03Å
266	V	98.8	Very high	97.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	128.4	169.2	-175.1	0	0	0	0	107.8	M324 F329 I331 Y335 V360 K366 L367 E368	V266-M324 HydrophobicContact CG1-SD 4.42Å; V266-F329 HydrophobicContact CG1-CB 4.33Å; V266-F329 HydrophobicContact CG1-CD2 3.64Å; V266-F329 HydrophobicContact CG1-CE2 4.37Å; V266-F329 HydrophobicContact CG1-CG 4.32Å; V266-I331 HydrophobicContact CG1-CB 4.46Å; V266-I331 HydrophobicContact CG2-CB 4.37Å; V266-I331 HydrophobicContact CG2-CD1 3.5Å; V266-I331 HydrophobicContact CG2-CG1 3.85Å; V266-Y335 HydrophobicContact CG2-CE1 4.32Å; V266-V360 HydrophobicContact CB-CG1 4.48Å; V266-V360 HydrophobicContact CG2-CB 4.47Å; V266-V360 HydrophobicContact CG2-CG1 3.95Å; V266-V360 HydrophobicContact CG2-CG2 3.62Å; V266-K366 PolarHBondContact N-O 3.42Å; V266-L367 HydrophobicContact CB-CD1 3.61Å; V266-L367 HydrophobicContact CG1-CD1 3.59Å; V266-L367 WeakPolarHBondContact O-CA 3.27Å; V266-E368 PolarHBondContact O-N 3.36Å
267	V	98.6	Very high	97.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	138.2	-172.7	-62.7	0	0	0	0	112	L255 R258 I259 V265 F329 S330 E368 M370	L255-V267 HydrophobicContact CB-CG2 3.81Å; L255-V267 HydrophobicContact CD2-CB 4.1Å; L255-V267 HydrophobicContact CD2-CG2 3.81Å; L255-V267 HydrophobicContact CG-CG2 4.4Å; R258-V267 HydrophobicContact CB-CG1 3.95Å; R258-V267 HydrophobicContact CG-CG1 3.54Å; I259-V267 HydrophobicContact CD1-CG2 3.77Å; I259-V267 HydrophobicContact CG1-CG1 4.45Å; I259-V267 HydrophobicContact CG1-CG2 3.89Å; V265-V267 HydrophobicContact CG1-CG1 3.7Å; V267-F329 CarbonylContact O-C 3.55Å; V267-F329 VanDerWaalsContact O-CA 3.24Å; V267-F329 WeakPolarHBondContact O-CA 3.35Å; V267-F329 WeakPolarHBondContact O-CB 3.46Å; V267-S330 PolarHBondContact N-O 2.82Å; V267-S330 PolarHBondContact O-N 2.86Å; V267-E368 CarbonylContact C-O 3.53Å; V267-E368 VanDerWaalsContact CA-O 3.29Å; V267-E368 WeakPolarHBondContact CA-O 3.34Å; V267-M370 HydrophobicContact CB-CE 4.25Å; V267-M370 HydrophobicContact CB-CG 4.19Å; V267-M370 HydrophobicContact CG1-CE 3.8Å; V267-M370 HydrophobicContact CG1-CG 4.45Å; V267-M370 HydrophobicContact CG1-SD 4.42Å
268	C	98.3	Very high	97	Very high	7 Å²	7	32.5 Å²	32.5	5%	0.047	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	145.2	175.4	-66	0	0	0	0	110.5	L328 E368 I369 M370	C268-L328 PolarHBondContact SG-O 2.87Å; C268-E368 PolarHBondContact N-O 3.5Å; C268-I369 HydrophobicContact CB-CG1 4.23Å; C268-I369 CarbonylContact O-C 3.55Å; C268-I369 WeakPolarHBondContact O-CA 3.41Å; C268-M370 PolarHBondContact O-N 3.38Å
269	P	97.7	Very high	96.9	Very high	3 Å²	3	31.1 Å²	31.1	2%	0.019	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	162.9	164.4	33.1	-35.7	0	0	0	110.6	I271 L328 S373 V375	P269-I271 PolarHBondContact O-N 2.91Å; P269-L328 HydrophobicContact CG-CB 3.87Å; P269-L328 HydrophobicContact CG-CD1 4.36Å; P269-S373 WeakPolarHBondContact CB-OG 3.07Å; P269-V375 HydrophobicContact CB-CB 4.22Å; P269-V375 HydrophobicContact CB-CG2 3.76Å; P269-V375 HydrophobicContact CG-CB 4.04Å; P269-V375 HydrophobicContact CG-CG2 3.79Å
270	V	96.2	Very high	96.8	Very high	6 Å²	6	32.9 Å²	32.9	4%	0.036	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	125.9	155.7	178.8	0	0	0	0	107.6	D272 D286 I369 S373 H374 V375	V270-D272 PolarHBondContact O-N 2.97Å; V270-D286 HydrophobicContact CG1-CB 4.35Å; V270-D286 HydrophobicContact CG2-CB 4.05Å; V270-I369 HydrophobicContact CG2-CG2 4.05Å; V270-S373 WeakPolarHBondContact CB-O 3.42Å; V270-S373 PolarHBondContact N-O 3.45Å; V270-H374 WeakPolarHBondContact O-CA 3.37Å; V270-V375 PolarHBondContact O-N 2.75Å
271	I	94.9	Very high	96.8	Very high	20 Å²	20	30.3 Å²	30.3	10%	0.103	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	105.2	179.5	-47.5	-172.5	0	0	0	108.3	P269 W300 A325 L328 V375 H377 F379	P269-I271 PolarHBondContact O-N 2.91Å; I271-W300 HydrophobicContact CD1-CH2 4.5Å; I271-W300 HydrophobicContact CD1-CZ2 4.09Å; I271-A325 HydrophobicContact CD1-CB 4.13Å; I271-L328 HydrophobicContact CD1-CD1 4.23Å; I271-L328 HydrophobicContact CD1-CG 4.45Å; I271-L328 HydrophobicContact CG1-CD1 4.14Å; I271-L328 HydrophobicContact CG2-CD1 4.03Å; I271-V375 WeakPolarHBondContact CA-O 3.46Å; I271-H377 HydrophobicContact CG2-CB 3.49Å; I271-H377 VanDerWaalsContact CG2-CB 3.49Å; I271-F379 HydrophobicContact CB-CZ 4.29Å; I271-F379 HydrophobicContact CG2-CE1 4.46Å; I271-F379 HydrophobicContact CG2-CE2 4.03Å; I271-F379 HydrophobicContact CG2-CZ 3.52Å
272	D	95.7	Very high	96.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	156.3	173.4	-66.6	-32.1	0	0	0	110.1	V134 V270 Y281 Q282 K283 G284 H374 V375 G376 H377	V134-D272 WeakPolarHBondContact CG2-OD2 3.21Å; V270-D272 PolarHBondContact O-N 2.97Å; D272-Y281 HydrophobicContact CB-CE1 3.69Å; D272-Y281 HydrophobicContact CB-CE2 4.43Å; D272-Y281 WeakPolarHBondContact OD2-CE1 3.24Å; D272-Y281 PolarHBondContact OD2-OH 2.83Å; D272-Q282 WeakPolarHBondContact CB-O 3.26Å; D272-K283 WeakPolarHBondContact OD1-CA 3.18Å; D272-G284 PolarHBondContact OD1-N 2.94Å; D272-H374 VanDerWaalsContact CG-ND1 3.31Å; D272-H374 IonicContact OD1-CE1 3.9Å; D272-H374 IonicContact OD1-ND1 3.35Å; D272-H374 PolarHBondContact OD1-ND1 3.23Å; D272-H374 WeakPolarHBondContact OD2-CB 3.17Å; D272-H374 IonicContact OD2-CG 3.86Å; D272-H374 IonicContact OD2-ND1 2.8Å; D272-H374 PolarHBondContact OD2-ND1 2.66Å; D272-V375 PolarHBondContact N-O 2.83Å; D272-G376 CarbonylContact O-C 3.54Å; D272-G376 WeakPolarHBondContact O-CA 3.21Å; D272-H377 PolarHBondContact O-N 3.02Å
273	V	93.9	Very high	96.2	Very high	9 Å²	9	24.7 Å²	24.7	6%	0.055	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	126.2	-176.3	177.4	0	0	0	0	109.5	I58 Q282 F379	I58-V273 HydrophobicContact CB-CG1 4.27Å; I58-V273 HydrophobicContact CB-CG2 4.34Å; I58-V273 HydrophobicContact CD1-CG1 3.79Å; I58-V273 HydrophobicContact CG1-CG1 4.09Å; V273-Q282 HydrophobicContact CB-CB 4.28Å; V273-Q282 PolarHBondContact N-O 3.41Å; V273-Q282 PolarHBondContact O-N 2.78Å; V273-F379 HydrophobicContact CG1-CD2 4.37Å; V273-F379 HydrophobicContact CG2-CD2 4.06Å; V273-F379 HydrophobicContact CG2-CE2 3.81Å
274	I	95.8	Very high	95.4	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	113.8	162.3	-60	167	0	0	0	106.8	E246 D276 F279 Q280 Y281 H377 I378	E246-I274 HydrophobicContact CB-CD1 4.02Å; E246-I274 HydrophobicContact CG-CD1 3.75Å; I274-D276 PolarHBondContact O-N 2.86Å; I274-F279 HydrophobicContact CG2-CB 4.36Å; I274-F279 HydrophobicContact CG2-CD1 3.89Å; I274-F279 HydrophobicContact CG2-CE1 4.46Å; I274-F279 HydrophobicContact CG2-CG 4.3Å; I274-Q280 WeakPolarHBondContact CA-O 3.45Å; I274-Y281 HydrophobicContact CG1-CD2 4.05Å; I274-Y281 HydrophobicContact CG1-CE2 4.49Å; I274-H377 PolarHBondContact N-O 3.34Å; I274-I378 HydrophobicContact CB-CG1 3.82Å; I274-I378 HydrophobicContact CD1-CG1 4.36Å; I274-I378 HydrophobicContact CG2-CD1 4.42Å; I274-I378 HydrophobicContact CG2-CG1 3.83Å
275	N	94.3	Very high	94.5	Very high	15 Å²	15	19.3 Å²	19.3	8%	0.08	9%	0.093	C	C	.	.			trans	-61.1	127.5	-176.4	176	-88.7	0	0	0	111.1	E56 R277 T278 F279 Q280	E56-N275 PolarHBondContact OE2-ND2 3.33Å; N275-R277 PolarHBondContact O-N 3.07Å; N275-R277 VanDerWaalsContact O-N 3.1Å; N275-R277 PolarHBondContact OD1-N 2.69Å; N275-T278 WeakPolarHBondContact CB-OG1 3.24Å; N275-T278 VanDerWaalsContact CG-OG1 3.29Å; N275-T278 PolarHBondContact OD1-N 3.03Å; N275-T278 PolarHBondContact OD1-OG1 2.9Å; N275-F279 VanDerWaalsContact O-CA 3.26Å; N275-F279 WeakPolarHBondContact O-CA 3.49Å; N275-F279 PolarHBondContact O-N 3.25Å; N275-Q280 HydrophobicContact CB-CB 4.37Å; N275-Q280 PolarHBondContact N-O 3.03Å
276	D	94.4	Very high	93.6	Very high	3 Å²	3	20 Å²	20	2%	0.016	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-14.3	-173.2	66.7	-13.3	0	0	0	114.4	F112 F117 N118 I274 I378 K381	F112-D276 HydrophobicContact CZ-CB 4.43Å; F117-D276 CarbonylContact C-O 3.28Å; F117-D276 WeakPolarHBondContact CA-O 3.36Å; F117-D276 HydrophobicContact CB-CB 4.24Å; F117-D276 WeakPolarHBondContact CB-O 3.29Å; N118-D276 PolarHBondContact N-O 2.97Å; I274-D276 PolarHBondContact O-N 2.86Å; D276-I378 HydrophobicContact CB-CG2 4.22Å; D276-K381 IonicContact OD1-NZ 2.71Å; D276-K381 IonicContact OD2-NZ 3.39Å; D276-K381 PolarHBondContact OD2-NZ 2.96Å
277	R	94.4	Very high	92.8	Very high	127 Å²	127	22.4 Å²	22.4	48%	0.479	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-38.3	179.5	-71.3	-174.2	177.3	-82.6	-3.5	114.2	F112 N118 N275	F112-R277 HydrophobicContact CE2-CG 4.01Å; N118-R277 VanDerWaalsContact CB-O 3.28Å; N118-R277 WeakPolarHBondContact CB-O 3.49Å; N118-R277 PolarHBondContact ND2-O 3.46Å; N275-R277 PolarHBondContact O-N 3.07Å; N275-R277 VanDerWaalsContact O-N 3.1Å; N275-R277 PolarHBondContact OD1-N 2.69Å
278	T	95.6	Very high	92.4	Very high	44 Å²	44	24.4 Å²	24.4	27%	0.27	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-9.9	-171.6	63.8	0	0	0	0	113.2	V98 N275 Q280	V98-T278 WeakPolarHBondContact CB-O 3.5Å; V98-T278 PolarHBondContact N-O 3.41Å; N275-T278 WeakPolarHBondContact CB-OG1 3.24Å; N275-T278 VanDerWaalsContact CG-OG1 3.29Å; N275-T278 PolarHBondContact OD1-N 3.03Å; N275-T278 PolarHBondContact OD1-OG1 2.9Å; T278-Q280 PolarHBondContact O-N 2.78Å; T278-Q280 PolarHBondContact OG1-N 2.75Å
279	F	97	Very high	92	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.118	C	C	.	.			trans	56.7	18.5	-175.2	-80	-105.6	0	0	0	114.6	V98 F117 N118 A121 S122 I125 R129 T164 I274 N275 Y281 I378	V98-F279 HydrophobicContact CG2-CB 4.46Å; F117-F279 HydrophobicContact CB-CE2 4.37Å; F117-F279 HydrophobicContact CB-CZ 4.29Å; F117-F279 HydrophobicContact CD2-CE2 4.24Å; F117-F279 AromaticContact CD2-CZ 3.71Å; F117-F279 HydrophobicContact CD2-CZ 3.71Å; F117-F279 HydrophobicContact CE2-CZ 4.26Å; F117-F279 HydrophobicContact CG-CZ 4.09Å; N118-F279 HydrophobicContact CB-CE2 4.2Å; N118-F279 WeakPolarHBondContact O-CE2 3.34Å; A121-F279 HydrophobicContact CB-CD2 3.87Å; A121-F279 HydrophobicContact CB-CE2 4.46Å; S122-F279 VanDerWaalsContact CB-CZ 3.42Å; S122-F279 WeakPolarHBondContact OG-CE1 3.32Å; I125-F279 HydrophobicContact CD1-CB 3.41Å; I125-F279 VanDerWaalsContact CD1-CB 3.41Å; I125-F279 HydrophobicContact CD1-CD1 4.06Å; I125-F279 HydrophobicContact CD1-CG 3.91Å; R129-F279 PolarHBondContact NH1-O 2.83Å; R129-F279 PolarHBondContact NH2-O 3.02Å; T164-F279 HydrophobicContact CG2-CE1 4.1Å; T164-F279 HydrophobicContact CG2-CZ 4.4Å; I274-F279 HydrophobicContact CG2-CB 4.36Å; I274-F279 HydrophobicContact CG2-CD1 3.89Å; I274-F279 HydrophobicContact CG2-CE1 4.46Å; I274-F279 HydrophobicContact CG2-CG 4.3Å; N275-F279 VanDerWaalsContact O-CA 3.26Å; N275-F279 WeakPolarHBondContact O-CA 3.49Å; N275-F279 PolarHBondContact O-N 3.25Å; F279-Y281 PolarHBondContact O-N 3.04Å; F279-I378 HydrophobicContact CD1-CD1 4.36Å; F279-I378 HydrophobicContact CE1-CD1 3.41Å; F279-I378 VanDerWaalsContact CE1-CD1 3.41Å; F279-I378 HydrophobicContact CE1-CG1 4.47Å; F279-I378 HydrophobicContact CZ-CD1 3.67Å
280	Q	97.4	Very high	91.8	Very high	38 Å²	38	24.4 Å²	24.4	18%	0.178	12%	0.117	C	C	.	.			trans	-62.4	131.6	171	-171.3	177.3	38.6	0	0	109.8	G95 A97 I274 N275 T278 Q282	G95-Q280 WeakPolarHBondContact O-CA 3.23Å; G95-Q280 WeakPolarHBondContact O-CG 3.43Å; A97-Q280 HydrophobicContact CB-CB 3.94Å; A97-Q280 HydrophobicContact CB-CG 4.3Å; I274-Q280 WeakPolarHBondContact CA-O 3.45Å; N275-Q280 HydrophobicContact CB-CB 4.37Å; N275-Q280 PolarHBondContact N-O 3.03Å; T278-Q280 PolarHBondContact O-N 2.78Å; T278-Q280 PolarHBondContact OG1-N 2.75Å; Q280-Q282 HydrophobicContact CG-CG 4.13Å
281	Y	96.9	Very high	91.8	Very high	6 Å²	6	24.1 Å²	24.1	2%	0.024	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	124	172.3	-163.2	-82.5	0	0	0	109.6	G95 L131 P132 V134 D272 I274 F279 G376	G95-Y281 PolarHBondContact O-N 3.29Å; L131-Y281 HydrophobicContact CD1-CD2 3.97Å; L131-Y281 HydrophobicContact CD1-CE2 3.62Å; L131-Y281 HydrophobicContact CD2-CD2 3.63Å; L131-Y281 HydrophobicContact CD2-CE2 4.18Å; L131-Y281 HydrophobicContact CD2-CG 4.05Å; L131-Y281 HydrophobicContact CG-CD2 4.37Å; L131-Y281 HydrophobicContact CG-CE2 4.47Å; P132-Y281 HydrophobicContact CG-CD1 4.09Å; V134-Y281 HydrophobicContact CG1-CD1 4.42Å; V134-Y281 HydrophobicContact CG1-CE1 4.23Å; V134-Y281 HydrophobicContact CG2-CE1 4.23Å; D272-Y281 HydrophobicContact CB-CE1 3.69Å; D272-Y281 HydrophobicContact CB-CE2 4.43Å; D272-Y281 WeakPolarHBondContact OD2-CE1 3.24Å; D272-Y281 PolarHBondContact OD2-OH 2.83Å; I274-Y281 HydrophobicContact CG1-CD2 4.05Å; I274-Y281 HydrophobicContact CG1-CE2 4.49Å; F279-Y281 PolarHBondContact O-N 3.04Å; Y281-G376 PolarHBondContact OH-N 3.13Å
282	Q	93.6	Very high	91.7	Very high	9 Å²	9	23.3 Å²	23.3	4%	0.042	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	127.4	-176.6	-60.2	-175.9	-23	0	0	109.2	R54 D272 V273 Q280 G284	R54-Q282 PolarHBondContact O-NE2 3.31Å; D272-Q282 WeakPolarHBondContact CB-O 3.26Å; V273-Q282 HydrophobicContact CB-CB 4.28Å; V273-Q282 PolarHBondContact N-O 3.41Å; V273-Q282 PolarHBondContact O-N 2.78Å; Q280-Q282 HydrophobicContact CG-CG 4.13Å; Q282-G284 PolarHBondContact O-N 2.74Å
283	K	90.3	Very high	91.6	Very high	62 Å²	62	23.3 Å²	23.3	27%	0.27	11%	0.111	S	C	.	.			trans	-58.2	127.2	177.3	-170.9	-170.4	173.6	176.4	0	110.2	V134 D272 D286	V134-K283 HydrophobicContact CB-CB 3.9Å; V134-K283 HydrophobicContact CB-CD 4.04Å; V134-K283 HydrophobicContact CB-CG 3.76Å; V134-K283 HydrophobicContact CG1-CB 4Å; V134-K283 HydrophobicContact CG1-CG 4.41Å; V134-K283 HydrophobicContact CG2-CB 4.4Å; V134-K283 HydrophobicContact CG2-CG 4.03Å; V134-K283 WeakPolarHBondContact O-CD 3.39Å; V134-K283 WeakPolarHBondContact O-CE 3.3Å; V134-K283 PolarHBondContact O-NZ 2.95Å; D272-K283 WeakPolarHBondContact OD1-CA 3.18Å; K283-D286 WeakPolarHBondContact CE-OD2 3.42Å; K283-D286 IonicContact NZ-OD2 3.74Å; K283-D286 PolarHBondContact NZ-OD2 2.81Å
284	G	83	Confident	91.6	Very high	10 Å²	10	23 Å²	23	10%	0.103	11%	0.109	C	C	.	.			trans	-69.1	166.7	170.8	0	0	0	0	0	112.2	D272 Q282 D286	D272-G284 PolarHBondContact OD1-N 2.94Å; Q282-G284 PolarHBondContact O-N 2.74Å; G284-D286 PolarHBondContact O-N 2.81Å
285	I	78.9	Confident	91.2	Very high	45 Å²	45	23.8 Å²	23.8	23%	0.231	11%	0.113	C	C	.	.			trans	-82.6	106.1	179.2	-60.7	177.8	0	0	0	108.9	V57 I287 F288	V57-I285 HydrophobicContact CB-CD1 4.3Å; V57-I285 HydrophobicContact CG1-CD1 3.4Å; V57-I285 HydrophobicContact CG1-CG1 4.3Å; V57-I285 HydrophobicContact CG2-CD1 3.87Å; I285-I287 HydrophobicContact CG2-CD1 4.4Å; I285-I287 HydrophobicContact CG2-CG1 3.44Å; I285-I287 VanDerWaalsContact CG2-CG1 3.44Å; I285-I287 PolarHBondContact O-N 3.45Å; I285-I287 VanDerWaalsContact O-N 3.09Å; I285-F288 HydrophobicContact CB-CB 4.49Å; I285-F288 HydrophobicContact CB-CD1 4.27Å; I285-F288 HydrophobicContact CB-CD2 3.98Å; I285-F288 HydrophobicContact CB-CE2 4.3Å; I285-F288 HydrophobicContact CB-CG 3.97Å; I285-F288 HydrophobicContact CD1-CD2 4.06Å; I285-F288 HydrophobicContact CD1-CE1 4.25Å; I285-F288 HydrophobicContact CD1-CE2 3.51Å; I285-F288 HydrophobicContact CD1-CZ 3.62Å; I285-F288 HydrophobicContact CG1-CE2 4.46Å; I285-F288 HydrophobicContact CG2-CB 4.34Å; I285-F288 HydrophobicContact CG2-CD1 3.5Å; I285-F288 VanDerWaalsContact CG2-CD1 3.5Å; I285-F288 HydrophobicContact CG2-CD2 4.11Å; I285-F288 HydrophobicContact CG2-CE1 3.77Å; I285-F288 HydrophobicContact CG2-CE2 4.35Å; I285-F288 HydrophobicContact CG2-CG 3.7Å; I285-F288 HydrophobicContact CG2-CZ 4.19Å; I285-F288 PolarHBondContact O-N 2.87Å
286	D	79	Confident	91.1	Very high	14 Å²	14	23.3 Å²	23.3	8%	0.075	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	18.7	-178.5	64.1	8.5	0	0	0	114.3	R136 V270 K283 G284 I319	R136-D286 IonicContact CZ-OD1 3.89Å; R136-D286 IonicContact CZ-OD2 2.96Å; R136-D286 IonicContact NE-OD1 2.78Å; R136-D286 IonicContact NE-OD2 2.85Å; R136-D286 PolarHBondContact NE-OD2 3.07Å; R136-D286 IonicContact NH2-OD1 3.03Å; R136-D286 PolarHBondContact NH2-OD1 3.49Å; R136-D286 IonicContact NH2-OD2 3.2Å; R136-D286 PolarHBondContact NH2-OD2 3.43Å; V270-D286 HydrophobicContact CG1-CB 4.35Å; V270-D286 HydrophobicContact CG2-CB 4.05Å; K283-D286 WeakPolarHBondContact CE-OD2 3.42Å; K283-D286 IonicContact NZ-OD2 3.74Å; K283-D286 PolarHBondContact NZ-OD2 2.81Å; G284-D286 PolarHBondContact O-N 2.81Å; D286-I319 WeakPolarHBondContact O-CD1 3.4Å
287	I	83.9	Confident	90.9	Very high	51 Å²	51	25.1 Å²	25.1	26%	0.262	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.2	11.7	173.6	62.3	165.8	0	0	0	112.2	I285 T303	I285-I287 HydrophobicContact CG2-CD1 4.4Å; I285-I287 HydrophobicContact CG2-CG1 3.44Å; I285-I287 VanDerWaalsContact CG2-CG1 3.44Å; I285-I287 PolarHBondContact O-N 3.45Å; I285-I287 VanDerWaalsContact O-N 3.09Å; I287-T303 VanDerWaalsContact C-OG1 3.3Å; I287-T303 WeakPolarHBondContact O-CB 3.42Å; I287-T303 PolarHBondContact O-N 3.41Å; I287-T303 PolarHBondContact O-OG1 2.61Å
288	F	88.2	Confident	90.7	Very high	42 Å²	42	20.4 Å²	20.4	18%	0.184	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	153.1	173.4	-77.9	4.5	0	0	0	110.6	V57 V59 I285 W300 Y301 S302 I369	V57-F288 HydrophobicContact CG1-CE2 4.48Å; V59-F288 HydrophobicContact CG2-CE2 4.36Å; I285-F288 HydrophobicContact CB-CB 4.49Å; I285-F288 HydrophobicContact CB-CD1 4.27Å; I285-F288 HydrophobicContact CB-CD2 3.98Å; I285-F288 HydrophobicContact CB-CE2 4.3Å; I285-F288 HydrophobicContact CB-CG 3.97Å; I285-F288 HydrophobicContact CD1-CD2 4.06Å; I285-F288 HydrophobicContact CD1-CE1 4.25Å; I285-F288 HydrophobicContact CD1-CE2 3.51Å; I285-F288 HydrophobicContact CD1-CZ 3.62Å; I285-F288 HydrophobicContact CG1-CE2 4.46Å; I285-F288 HydrophobicContact CG2-CB 4.34Å; I285-F288 HydrophobicContact CG2-CD1 3.5Å; I285-F288 VanDerWaalsContact CG2-CD1 3.5Å; I285-F288 HydrophobicContact CG2-CD2 4.11Å; I285-F288 HydrophobicContact CG2-CE1 3.77Å; I285-F288 HydrophobicContact CG2-CE2 4.35Å; I285-F288 HydrophobicContact CG2-CG 3.7Å; I285-F288 HydrophobicContact CG2-CZ 4.19Å; I285-F288 PolarHBondContact O-N 2.87Å; F288-W300 HydrophobicContact CB-CB 4.38Å; F288-W300 HydrophobicContact CB-CE3 4.09Å; F288-W300 HydrophobicContact CD2-CB 3.85Å; F288-W300 HydrophobicContact CG-CB 4.49Å; F288-Y301 WeakPolarHBondContact CA-O 3.43Å; F288-S302 WeakPolarHBondContact CE1-OG 3.26Å; F288-I369 WeakPolarHBondContact O-CD1 3.32Å
289	R	91.4	Very high	90.4	Very high	10 Å²	10	18.7 Å²	18.7	4%	0.038	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	157.6	174.1	66.4	-175.5	178.9	139	20.2	109.8	W300 Y301 I319 I369 E461	R289-W300 VanDerWaalsContact C-CE3 3.5Å; R289-Y301 PolarHBondContact N-O 2.88Å; R289-Y301 PolarHBondContact O-N 2.86Å; R289-I319 HydrophobicContact CB-CG2 4.16Å; R289-I369 HydrophobicContact CB-CD1 4.36Å; R289-E461 IonicContact CZ-OE1 3.2Å; R289-E461 IonicContact NH1-OE1 3.19Å; R289-E461 PolarHBondContact NH1-OE1 2.72Å; R289-E461 IonicContact NH2-OE1 2.69Å; R289-E461 PolarHBondContact NH2-OE1 3.49Å
290	G	93.4	Very high	90.1	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.01	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	136.7	179.6	0	0	0	0	0	112.2	R299 T321 P322 T323	G290-R299 WeakPolarHBondContact CA-O 3.35Å; G290-T321 PolarHBondContact N-OG1 3.34Å; G290-T321 PolarHBondContact O-OG1 2.85Å; G290-P322 WeakPolarHBondContact O-CB 3.36Å; G290-P322 WeakPolarHBondContact O-CD 3.24Å; G290-P322 WeakPolarHBondContact O-CG 3.41Å; G290-T323 WeakPolarHBondContact CA-O 3.24Å; G290-T323 PolarHBondContact O-N 3.16Å; G290-T323 VanDerWaalsContact O-N 3.11Å; G290-T323 PolarHBondContact O-OG1 3.19Å
291	G	94.8	Very high	89.7	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	-158.3	162.5	0	0	0	0	0	109.9	R299 T323	G291-R299 PolarHBondContact N-O 3.47Å; G291-R299 PolarHBondContact O-N 3.12Å; G291-T323 WeakPolarHBondContact CA-OG1 3.46Å; G291-T323 PolarHBondContact N-OG1 3.3Å; G291-T323 PolarHBondContact O-OG1 3.48Å; G291-T323 VanDerWaalsContact O-OG1 3.13Å
292	F	94.7	Very high	89.3	Confident	2 Å²	2	21.1 Å²	21.1	1%	0.009	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	165.6	177	53.8	-79.3	0	0	0	110.6	L296 Q297 Y301 T323 L354 F358 F451 Y454 W459 F463 L464	F292-L296 HydrophobicContact CD2-CD2 3.73Å; F292-L296 HydrophobicContact CE2-CD2 4.03Å; F292-L296 HydrophobicContact CG-CD2 4.43Å; F292-Q297 CarbonylContact C-O 3.51Å; F292-Q297 WeakPolarHBondContact CA-O 3.23Å; F292-Y301 PolarHBondContact O-OH 3.42Å; F292-Y301 VanDerWaalsContact O-OH 3.05Å; F292-T323 HydrophobicContact CD1-CG2 3.72Å; F292-T323 HydrophobicContact CE1-CG2 4.17Å; F292-L354 HydrophobicContact CB-CD1 4.23Å; F292-L354 HydrophobicContact CB-CD2 4.04Å; F292-L354 HydrophobicContact CD1-CD2 4.41Å; F292-L354 HydrophobicContact CG-CD2 4.48Å; F292-F358 HydrophobicContact CD1-CE1 4.03Å; F292-F358 HydrophobicContact CD1-CZ 4.09Å; F292-F358 AromaticContact CE1-CE1 3.48Å; F292-F358 HydrophobicContact CE1-CE1 3.48Å; F292-F358 VanDerWaalsContact CE1-CE1 3.48Å; F292-F358 AromaticContact CE1-CZ 3.69Å; F292-F358 HydrophobicContact CE1-CZ 3.69Å; F292-F358 HydrophobicContact CE2-CZ 4.2Å; F292-F358 AromaticContact CZ-CE1 3.91Å; F292-F358 HydrophobicContact CZ-CE1 3.91Å; F292-F358 AromaticContact CZ-CZ 3.75Å; F292-F358 HydrophobicContact CZ-CZ 3.75Å; F292-F451 HydrophobicContact CE2-CZ 4.36Å; F292-F451 AromaticContact CZ-CZ 3.83Å; F292-F451 HydrophobicContact CZ-CZ 3.83Å; F292-Y454 HydrophobicContact CE1-CE1 4.15Å; F292-Y454 HydrophobicContact CZ-CE1 4.41Å; F292-W459 HydrophobicContact CD1-CE3 4.18Å; F292-W459 HydrophobicContact CD1-CH2 4.3Å; F292-W459 AromaticContact CD1-CZ3 3.67Å; F292-W459 HydrophobicContact CD1-CZ3 3.67Å; F292-W459 HydrophobicContact CD2-CZ3 4.19Å; F292-W459 AromaticContact CE1-CE3 3.49Å; F292-W459 HydrophobicContact CE1-CE3 3.49Å; F292-W459 VanDerWaalsContact CE1-CE3 3.49Å; F292-W459 HydrophobicContact CE1-CH2 4.33Å; F292-W459 AromaticContact CE1-CZ3 3.3Å; F292-W459 HydrophobicContact CE1-CZ3 3.3Å; F292-W459 AromaticContact CE2-CZ3 3.89Å; F292-W459 HydrophobicContact CE2-CZ3 3.89Å; F292-W459 HydrophobicContact CG-CZ3 4.09Å; F292-W459 AromaticContact CZ-CE3 3.77Å; F292-W459 HydrophobicContact CZ-CE3 3.77Å; F292-W459 AromaticContact CZ-CZ3 3.42Å; F292-W459 HydrophobicContact CZ-CZ3 3.42Å; F292-W459 VanDerWaalsContact CZ-CZ3 3.42Å; F292-W459 WeakPolarHBondContact O-CH2 3.23Å; F292-F463 WeakPolarHBondContact O-CZ 3.47Å; F292-L464 HydrophobicContact CE2-CD1 4Å; F292-L464 HydrophobicContact CZ-CD1 4.18Å
293	N	92.8	Very high	89.1	Confident	1 Å²	1	21.2 Å²	21.2	1%	0.005	11%	0.106	C	C	.	.			trans	-101.1	178.6	170.2	74.5	-19.1	0	0	0	110.1	N295 L296 Q297 R299 F463 D524	N293-N295 PolarHBondContact ND2-OD1 2.61Å; N293-N295 PolarHBondContact O-N 2.93Å; N293-N295 VanDerWaalsContact O-N 3.15Å; N293-N295 PolarHBondContact OD1-OD1 2.83Å; N293-L296 PolarHBondContact O-N 3.49Å; N293-L296 PolarHBondContact OD1-N 3.45Å; N293-Q297 PolarHBondContact N-O 3.46Å; N293-Q297 WeakPolarHBondContact OD1-CA 3.45Å; N293-Q297 VanDerWaalsContact OD1-CB 3.27Å; N293-Q297 WeakPolarHBondContact OD1-CB 3.34Å; N293-Q297 PolarHBondContact OD1-N 3.43Å; N293-Q297 PolarHBondContact OD1-O 2.78Å; N293-R299 HydrophobicContact CB-CG 4.4Å; N293-R299 PolarHBondContact ND2-NH2 3.48Å; N293-F463 HydrophobicContact CB-CZ 4.5Å; N293-D524 VanDerWaalsContact CB-OD1 3.27Å; N293-D524 WeakPolarHBondContact CB-OD1 3.37Å
294	W	92.8	Very high	89	Confident	2 Å²	2	18.9 Å²	18.9	1%	0.008	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-30.3	-173.4	-66.9	-17.2	0	0	0	114.3	L296 V414 F415 T418 F463 L464 F471 Y509 F512 V514 D524	W294-L296 VanDerWaalsContact C-N 3.28Å; W294-L296 PolarHBondContact O-N 3.42Å; W294-V414 HydrophobicContact CB-CG1 4.28Å; W294-V414 HydrophobicContact CG-CG1 4.19Å; W294-F415 WeakPolarHBondContact O-CA 3.44Å; W294-T418 VanDerWaalsContact C-OG1 3.32Å; W294-T418 HydrophobicContact CB-CG2 3.81Å; W294-T418 WeakPolarHBondContact CB-OG1 3.42Å; W294-T418 HydrophobicContact CD2-CG2 4.28Å; W294-T418 HydrophobicContact CE3-CG2 3.78Å; W294-T418 HydrophobicContact CG-CG2 4.36Å; W294-T418 PolarHBondContact O-OG1 3.41Å; W294-F463 AromaticContact CD1-CD2 3.78Å; W294-F463 AromaticContact CD1-CE2 3.65Å; W294-F463 AromaticContact CE2-CD2 3.92Å; W294-F463 HydrophobicContact CG-CE2 4.44Å; W294-F463 HydrophobicContact CZ2-CD2 4.39Å; W294-F463 AromaticContact NE1-CD2 3.24Å; W294-F463 AromaticContact NE1-CE2 3.62Å; W294-F463 PolarHBondContact NE1-O 3.46Å; W294-L464 HydrophobicContact CG-CD2 4.46Å; W294-F471 HydrophobicContact CH2-CE2 4.27Å; W294-F471 HydrophobicContact CZ2-CE2 4.41Å; W294-Y509 HydrophobicContact CE3-CD2 4.17Å; W294-F512 HydrophobicContact CH2-CB 4.09Å; W294-F512 WeakPolarHBondContact CH2-O 3.33Å; W294-F512 HydrophobicContact CZ3-CB 3.75Å; W294-V514 HydrophobicContact CZ2-CG2 3.89Å; W294-D524 HydrophobicContact CD2-CB 3.92Å; W294-D524 HydrophobicContact CE3-CB 3.73Å; W294-D524 HydrophobicContact CG-CB 4.45Å; W294-D524 HydrophobicContact CH2-CB 4.46Å; W294-D524 HydrophobicContact CZ3-CB 3.99Å; W294-D524 PolarHBondContact N-OD1 2.69Å
295	N	88.8	Confident	89.3	Confident	18 Å²	18	22 Å²	22	10%	0.096	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	22.2	177.1	66.4	25.3	0	0	0	114.2	N293 Q297	N293-N295 PolarHBondContact ND2-OD1 2.61Å; N293-N295 PolarHBondContact O-N 2.93Å; N293-N295 VanDerWaalsContact O-N 3.15Å; N293-N295 PolarHBondContact OD1-OD1 2.83Å; N295-Q297 VanDerWaalsContact C-N 3.29Å; N295-Q297 PolarHBondContact O-N 3.11Å; N295-Q297 VanDerWaalsContact OD1-CD 3.23Å; N295-Q297 WeakPolarHBondContact OD1-CG 3.47Å
296	L	92.2	Very high	89.8	Confident	5 Å²	5	23 Å²	23	3%	0.026	13%	0.126	C	C	.	.			trans	58.2	35.2	176	-63.5	176.2	0	0	0	114.4	F292 N293 W294 L354 F358 L400 A404 M408 F415	F292-L296 HydrophobicContact CD2-CD2 3.73Å; F292-L296 HydrophobicContact CE2-CD2 4.03Å; F292-L296 HydrophobicContact CG-CD2 4.43Å; N293-L296 PolarHBondContact O-N 3.49Å; N293-L296 PolarHBondContact OD1-N 3.45Å; W294-L296 VanDerWaalsContact C-N 3.28Å; W294-L296 PolarHBondContact O-N 3.42Å; L296-L354 HydrophobicContact CB-CD1 3.77Å; L296-L354 HydrophobicContact CD2-CD1 4.08Å; L296-L354 WeakPolarHBondContact O-CD1 3.4Å; L296-F358 HydrophobicContact CD2-CE2 4.29Å; L296-F358 HydrophobicContact CD2-CZ 4.21Å; L296-L400 HydrophobicContact CB-CD2 3.82Å; L296-L400 HydrophobicContact CD1-CB 4.48Å; L296-L400 HydrophobicContact CD1-CD2 4.44Å; L296-A404 HydrophobicContact CD1-CB 4.12Å; L296-M408 HydrophobicContact CD1-SD 3.69Å; L296-M408 HydrophobicContact CD2-CE 3.98Å; L296-M408 HydrophobicContact CD2-SD 3.62Å; L296-M408 HydrophobicContact CG-SD 4.08Å; L296-F415 HydrophobicContact CB-CD2 3.99Å; L296-F415 HydrophobicContact CB-CE2 4.08Å; L296-F415 HydrophobicContact CD1-CB 4.35Å; L296-F415 HydrophobicContact CD1-CD1 4.26Å; L296-F415 HydrophobicContact CD1-CD2 3.52Å; L296-F415 HydrophobicContact CD1-CE1 4.49Å; L296-F415 HydrophobicContact CD1-CE2 3.81Å; L296-F415 HydrophobicContact CD1-CG 3.77Å; L296-F415 HydrophobicContact CD1-CZ 4.29Å; L296-F415 HydrophobicContact CG-CB 4.43Å; L296-F415 HydrophobicContact CG-CD2 3.55Å; L296-F415 HydrophobicContact CG-CE2 4.06Å; L296-F415 HydrophobicContact CG-CG 4.11Å
297	Q	88.8	Confident	90.4	Very high	40 Å²	40	23 Å²	23	19%	0.187	13%	0.126	C	C	.	.			trans	-90.1	132.6	164.5	-63.3	172.7	-7.9	0	0	109.8	F292 N293 N295	F292-Q297 CarbonylContact C-O 3.51Å; F292-Q297 WeakPolarHBondContact CA-O 3.23Å; N293-Q297 PolarHBondContact N-O 3.46Å; N293-Q297 WeakPolarHBondContact OD1-CA 3.45Å; N293-Q297 VanDerWaalsContact OD1-CB 3.27Å; N293-Q297 WeakPolarHBondContact OD1-CB 3.34Å; N293-Q297 PolarHBondContact OD1-N 3.43Å; N293-Q297 PolarHBondContact OD1-O 2.78Å; N295-Q297 VanDerWaalsContact C-N 3.29Å; N295-Q297 PolarHBondContact O-N 3.11Å; N295-Q297 VanDerWaalsContact OD1-CD 3.23Å; N295-Q297 WeakPolarHBondContact OD1-CG 3.47Å
298	F	91.5	Very high	90.6	Very high	28 Å²	28	23.6 Å²	23.6	12%	0.123	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	141.4	173.7	179.2	-91.4	0	0	0	111.5	W300 T323 M324 A325	F298-W300 AromaticContact CE1-CD1 3.85Å; F298-W300 AromaticContact CE1-CD2 3.86Å; F298-W300 HydrophobicContact CE1-CD2 3.86Å; F298-W300 AromaticContact CE1-CE2 3.53Å; F298-W300 HydrophobicContact CE1-CG 4.06Å; F298-W300 AromaticContact CE1-CZ2 3.96Å; F298-W300 HydrophobicContact CE1-CZ2 3.96Å; F298-W300 AromaticContact CE1-NE1 3.55Å; F298-W300 AromaticContact CZ-CD2 3.87Å; F298-W300 HydrophobicContact CZ-CD2 3.87Å; F298-W300 AromaticContact CZ-CE2 3.7Å; F298-W300 HydrophobicContact CZ-CE3 4.11Å; F298-W300 HydrophobicContact CZ-CG 4.46Å; F298-W300 HydrophobicContact CZ-CH2 4.05Å; F298-W300 AromaticContact CZ-CZ2 3.8Å; F298-W300 HydrophobicContact CZ-CZ2 3.8Å; F298-W300 HydrophobicContact CZ-CZ3 4.2Å; F298-T323 WeakPolarHBondContact CD2-OG1 3.36Å; F298-T323 WeakPolarHBondContact CE2-OG1 3.25Å; F298-M324 WeakPolarHBondContact CD2-O 3.24Å; F298-M324 WeakPolarHBondContact CE2-O 3.05Å; F298-A325 HydrophobicContact CD1-CB 4.5Å; F298-A325 HydrophobicContact CE1-CB 3.98Å; F298-A325 HydrophobicContact CE2-CB 4.4Å; F298-A325 HydrophobicContact CZ-CB 3.93Å
299	R	89.1	Confident	90.8	Very high	9 Å²	9	30.2 Å²	30.2	3%	0.034	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	147.6	176	-67.2	-62.7	-176	-98	-4.9	110.4	G290 G291 N293 Y301 E525	G290-R299 WeakPolarHBondContact CA-O 3.35Å; G291-R299 PolarHBondContact N-O 3.47Å; G291-R299 PolarHBondContact O-N 3.12Å; N293-R299 HydrophobicContact CB-CG 4.4Å; N293-R299 PolarHBondContact ND2-NH2 3.48Å; R299-Y301 HydrophobicContact CB-CD2 4.36Å; R299-Y301 HydrophobicContact CB-CE1 3.97Å; R299-Y301 HydrophobicContact CB-CE2 3.71Å; R299-Y301 VanDerWaalsContact CB-CZ 3.47Å; R299-E525 WeakPolarHBondContact CD-OE2 3.22Å; R299-E525 IonicContact CZ-OE1 3.6Å; R299-E525 IonicContact CZ-OE2 3.91Å; R299-E525 IonicContact NE-OE1 2.92Å; R299-E525 PolarHBondContact NE-OE1 2.8Å; R299-E525 IonicContact NE-OE2 2.79Å; R299-E525 PolarHBondContact NE-OE2 3.21Å; R299-E525 IonicContact NH2-OE1 2.8Å; R299-E525 PolarHBondContact NH2-OE1 3.35Å; R299-E525 IonicContact NH2-OE2 3.19Å
300	W	89.8	Confident	91	Very high	42 Å²	42	34.5 Å²	34.5	16%	0.159	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	127.6	164.6	-65.6	106	0	0	0	108.8	V59 I271 F288 R289 F298 A325 I369	V59-W300 HydrophobicContact CG1-CB 3.97Å; V59-W300 HydrophobicContact CG1-CG 4.24Å; V59-W300 HydrophobicContact CG2-CB 4.39Å; I271-W300 HydrophobicContact CD1-CH2 4.5Å; I271-W300 HydrophobicContact CD1-CZ2 4.09Å; F288-W300 HydrophobicContact CB-CB 4.38Å; F288-W300 HydrophobicContact CB-CE3 4.09Å; F288-W300 HydrophobicContact CD2-CB 3.85Å; F288-W300 HydrophobicContact CG-CB 4.49Å; R289-W300 VanDerWaalsContact C-CE3 3.5Å; F298-W300 AromaticContact CE1-CD1 3.85Å; F298-W300 AromaticContact CE1-CD2 3.86Å; F298-W300 HydrophobicContact CE1-CD2 3.86Å; F298-W300 AromaticContact CE1-CE2 3.53Å; F298-W300 HydrophobicContact CE1-CG 4.06Å; F298-W300 AromaticContact CE1-CZ2 3.96Å; F298-W300 HydrophobicContact CE1-CZ2 3.96Å; F298-W300 AromaticContact CE1-NE1 3.55Å; F298-W300 AromaticContact CZ-CD2 3.87Å; F298-W300 HydrophobicContact CZ-CD2 3.87Å; F298-W300 AromaticContact CZ-CE2 3.7Å; F298-W300 HydrophobicContact CZ-CE3 4.11Å; F298-W300 HydrophobicContact CZ-CG 4.46Å; F298-W300 HydrophobicContact CZ-CH2 4.05Å; F298-W300 AromaticContact CZ-CZ2 3.8Å; F298-W300 HydrophobicContact CZ-CZ2 3.8Å; F298-W300 HydrophobicContact CZ-CZ3 4.2Å; W300-A325 HydrophobicContact CZ2-CB 4.09Å; W300-I369 HydrophobicContact CH2-CD1 4.35Å; W300-I369 HydrophobicContact CZ3-CD1 3.8Å
301	Y	90.1	Very high	90.9	Very high	10 Å²	10	35.5 Å²	35.5	4%	0.039	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	156.5	173.8	-61.5	-62.3	0	0	0	110.4	F288 R289 F292 R299 W459 F463 H526	F288-Y301 WeakPolarHBondContact CA-O 3.43Å; R289-Y301 PolarHBondContact N-O 2.88Å; R289-Y301 PolarHBondContact O-N 2.86Å; F292-Y301 PolarHBondContact O-OH 3.42Å; F292-Y301 VanDerWaalsContact O-OH 3.05Å; R299-Y301 HydrophobicContact CB-CD2 4.36Å; R299-Y301 HydrophobicContact CB-CE1 3.97Å; R299-Y301 HydrophobicContact CB-CE2 3.71Å; R299-Y301 VanDerWaalsContact CB-CZ 3.47Å; Y301-W459 AromaticContact CD2-CZ2 3.97Å; Y301-W459 HydrophobicContact CD2-CZ2 3.97Å; Y301-W459 HydrophobicContact CE2-CH2 4.16Å; Y301-W459 AromaticContact CE2-CZ2 3.67Å; Y301-W459 HydrophobicContact CE2-CZ2 3.67Å; Y301-F463 HydrophobicContact CE2-CE1 4.2Å; Y301-F463 AromaticContact CZ-CE1 3.88Å; Y301-F463 VanDerWaalsContact OH-CZ 3.27Å; Y301-F463 WeakPolarHBondContact OH-CZ 3.09Å; Y301-H526 HydrophobicContact CD1-CB 3.81Å; Y301-H526 HydrophobicContact CE1-CB 3.46Å; Y301-H526 VanDerWaalsContact CE1-CB 3.46Å
302	S	88.9	Confident	90.7	Very high	43 Å²	43	37.8 Å²	37.8	30%	0.301	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	146.3	172.7	-62.1	0	0	0	0	110.7	F288 E545	F288-S302 WeakPolarHBondContact CE1-OG 3.26Å; S302-E545 WeakPolarHBondContact CB-OE1 3.16Å; S302-E545 PolarHBondContact N-OE1 2.91Å; S302-E545 PolarHBondContact OG-OE1 2.9Å; S302-E545 PolarHBondContact OG-OE2 3.32Å
303	T	89.1	Confident	90.5	Very high	11 Å²	11	45.8 Å²	45.8	7%	0.067	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-69.1	127.3	172.9	-64.5	0	0	0	0	109.4	I287 E307 L308	I287-T303 VanDerWaalsContact C-OG1 3.3Å; I287-T303 WeakPolarHBondContact O-CB 3.42Å; I287-T303 PolarHBondContact O-N 3.41Å; I287-T303 PolarHBondContact O-OG1 2.61Å; T303-E307 HydrophobicContact CG2-CB 3.55Å; T303-E307 HydrophobicContact CG2-CG 3.35Å; T303-L308 HydrophobicContact CG2-CD2 3.74Å; T303-L308 HydrophobicContact CG2-CG 3.89Å
304	P	88.2	Confident	90.5	Very high	12 Å²	12	48.9 Å²	48.9	8%	0.078	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-70.6	158	-176.8	29.3	-36.7	0	0	0	111.1	S306 E307 L308 E461	P304-S306 PolarHBondContact O-N 3.48Å; P304-S306 VanDerWaalsContact O-N 3.14Å; P304-E307 HydrophobicContact CG-CB 3.92Å; P304-E307 PolarHBondContact O-N 3.19Å; P304-L308 PolarHBondContact O-N 3.18Å; P304-L308 VanDerWaalsContact O-N 3.07Å; P304-E461 HydrophobicContact CB-CG 4.34Å; P304-E461 HydrophobicContact CG-CG 4.34Å
305	P	88.5	Confident	90.4	Very high	76 Å²	76	50.6 Å²	50.6	49%	0.494	27%	0.272	S	S	.	.	H	α-helix	trans	-54.2	-35.1	179.2	-27.1	35.3	0	0	0	113.9	L308 K309	P305-L308 PolarHBondContact O-N 3.47Å; P305-K309 VanDerWaalsContact O-CB 3.31Å; P305-K309 WeakPolarHBondContact O-CB 3.06Å; P305-K309 PolarHBondContact O-N 2.89Å
306	S	89.1	Confident	90.7	Very high	66 Å²	66	50.1 Å²	50.1	46%	0.462	27%	0.27	S	S	.	.	H	α-helix	trans	-60.5	-44	177.2	56.2	0	0	0	0	112.8	P304 K309 R310	P304-S306 PolarHBondContact O-N 3.48Å; P304-S306 VanDerWaalsContact O-N 3.14Å; S306-K309 PolarHBondContact O-N 3.18Å; S306-R310 PolarHBondContact O-N 3.35Å
307	E	91.3	Very high	90.9	Very high	14 Å²	14	50.4 Å²	50.4	7%	0.065	27%	0.273	C	S	.	.	H	α-helix	trans	-75.7	-35.4	179.5	175.8	61.9	-173.1	0	0	111.7	T303 P304 R310 R311 I319 R320	T303-E307 HydrophobicContact CG2-CB 3.55Å; T303-E307 HydrophobicContact CG2-CG 3.35Å; P304-E307 HydrophobicContact CG-CB 3.92Å; P304-E307 PolarHBondContact O-N 3.19Å; E307-R310 PolarHBondContact O-N 2.7Å; E307-R310 IonicContact OE1-CZ 3.24Å; E307-R310 IonicContact OE1-NE 3.88Å; E307-R310 PolarHBondContact OE1-NE 2.95Å; E307-R310 IonicContact OE1-NH2 2.89Å; E307-R310 PolarHBondContact OE1-NH2 3.38Å; E307-R310 IonicContact OE2-CZ 3.86Å; E307-R310 IonicContact OE2-NE 3.92Å; E307-R310 PolarHBondContact OE2-NE 3.23Å; E307-R310 IonicContact OE2-NH2 3.73Å; E307-R311 WeakPolarHBondContact O-CG 3.47Å; E307-R311 PolarHBondContact O-N 3.07Å; E307-I319 HydrophobicContact CG-CG2 4.49Å; E307-R320 PolarHBondContact OE1-N 2.66Å
308	L	90	Very high	91.2	Very high	63 Å²	63	50.1 Å²	50.1	33%	0.33	28%	0.275	S	S	.	.	H	α-helix	trans	-60.9	-45.3	169.7	-65.1	178	0	0	0	110.9	T303 P304 P305 R310 R311 G312	T303-L308 HydrophobicContact CG2-CD2 3.74Å; T303-L308 HydrophobicContact CG2-CG 3.89Å; P304-L308 PolarHBondContact O-N 3.18Å; P304-L308 VanDerWaalsContact O-N 3.07Å; P305-L308 PolarHBondContact O-N 3.47Å; L308-R310 VanDerWaalsContact C-N 3.34Å; L308-R310 PolarHBondContact O-N 2.81Å; L308-R311 PolarHBondContact O-N 3.43Å; L308-G312 PolarHBondContact O-N 3.25Å
309	K	92.2	Very high	91.5	Very high	181 Å²	181	48.8 Å²	48.8	79%	0.787	27%	0.269	S	S	*	.	H	α-helix	trans	-61.6	-39.4	176.4	-175.2	178.3	-179.7	178.7	0	112.4	P305 S306 R311 G312	P305-K309 VanDerWaalsContact O-CB 3.31Å; P305-K309 WeakPolarHBondContact O-CB 3.06Å; P305-K309 PolarHBondContact O-N 2.89Å; S306-K309 PolarHBondContact O-N 3.18Å; K309-R311 VanDerWaalsContact C-N 3.26Å; K309-R311 PolarHBondContact O-N 2.74Å; K309-G312 PolarHBondContact O-N 3.36Å; K309-G312 VanDerWaalsContact O-N 3.07Å
310	R	93.9	Very high	91.9	Very high	100 Å²	100	53.5 Å²	53.5	38%	0.377	29%	0.287	S	S	.	.	H	α-helix	trans	-60	-36.8	176	-172	-168.4	66	73.8	-1.7	112.3	S306 E307 L308 G312 P318	S306-R310 PolarHBondContact O-N 3.35Å; E307-R310 PolarHBondContact O-N 2.7Å; E307-R310 IonicContact OE1-CZ 3.24Å; E307-R310 IonicContact OE1-NE 3.88Å; E307-R310 PolarHBondContact OE1-NE 2.95Å; E307-R310 IonicContact OE1-NH2 2.89Å; E307-R310 PolarHBondContact OE1-NH2 3.38Å; E307-R310 IonicContact OE2-CZ 3.86Å; E307-R310 IonicContact OE2-NE 3.92Å; E307-R310 PolarHBondContact OE2-NE 3.23Å; E307-R310 IonicContact OE2-NH2 3.73Å; L308-R310 VanDerWaalsContact C-N 3.34Å; L308-R310 PolarHBondContact O-N 2.81Å; R310-G312 VanDerWaalsContact C-N 3.27Å; R310-P318 PolarHBondContact NH2-O 3.48Å
311	R	93.1	Very high	92.2	Very high	22 Å²	22	51.5 Å²	51.5	8%	0.083	28%	0.279	C	S	.	.	H	α-helix	trans	-76	-18.5	177.5	-66.2	170.2	65.1	-160.1	2.1	112.4	E307 L308 K309 D314 P315 A317	E307-R311 WeakPolarHBondContact O-CG 3.47Å; E307-R311 PolarHBondContact O-N 3.07Å; L308-R311 PolarHBondContact O-N 3.43Å; K309-R311 VanDerWaalsContact C-N 3.26Å; K309-R311 PolarHBondContact O-N 2.74Å; R311-D314 PolarHBondContact O-N 3.31Å; R311-P315 PolarHBondContact NH2-O 3.15Å; R311-A317 HydrophobicContact CB-CB 4.18Å; R311-A317 HydrophobicContact CG-CB 4.08Å; R311-A317 PolarHBondContact NE-O 3.4Å; R311-A317 PolarHBondContact NH2-O 2.83Å
312	G	90.6	Very high	92.6	Very high	48 Å²	48	51.1 Å²	51.1	50%	0.495	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	-137.5	-176	0	0	0	0	0	110.8	L308 K309 R310 D314	L308-G312 PolarHBondContact O-N 3.25Å; K309-G312 PolarHBondContact O-N 3.36Å; K309-G312 VanDerWaalsContact O-N 3.07Å; R310-G312 VanDerWaalsContact C-N 3.27Å; G312-D314 VanDerWaalsContact C-N 3.3Å; G312-D314 PolarHBondContact O-N 2.83Å
313	D	89	Confident	93	Very high	170 Å²	170	49 Å²	49	91%	0.909	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	7.6	178.6	-62	-37	0	0	0	113.6	P315	D313-P315 WeakPolarHBondContact O-CD 3.27Å
314	D	93.6	Very high	93.3	Very high	67 Å²	67	48.7 Å²	48.7	36%	0.358	26%	0.261	S	S	.	.			trans	-89.9	97.4	178.1	-176.7	6.5	0	0	0	111.4	R311 G312 T316 A317	R311-D314 PolarHBondContact O-N 3.31Å; G312-D314 VanDerWaalsContact C-N 3.3Å; G312-D314 PolarHBondContact O-N 2.83Å; D314-T316 VanDerWaalsContact CG-OG1 3.27Å; D314-T316 PolarHBondContact O-N 3.11Å; D314-T316 VanDerWaalsContact O-N 3.1Å; D314-T316 WeakPolarHBondContact OD1-CA 3.3Å; D314-T316 VanDerWaalsContact OD1-CB 3.29Å; D314-T316 WeakPolarHBondContact OD1-CB 3.3Å; D314-T316 PolarHBondContact OD1-N 2.86Å; D314-T316 PolarHBondContact OD1-OG1 3Å; D314-T316 PolarHBondContact OD2-OG1 3.42Å; D314-A317 HydrophobicContact CB-CB 4.08Å; D314-A317 WeakPolarHBondContact O-CB 3.18Å; D314-A317 PolarHBondContact O-N 3.11Å; D314-A317 PolarHBondContact OD1-N 2.92Å; D314-A317 PolarHBondContact OD2-N 2.8Å
315	P	91.2	Very high	93.5	Very high	37 Å²	37	49.7 Å²	49.7	24%	0.24	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-10.4	178.7	33.3	-39.7	0	0	0	112.9	A138 R311 D313 P371	A138-P315 HydrophobicContact CB-CG 3.97Å; R311-P315 PolarHBondContact NH2-O 3.15Å; D313-P315 WeakPolarHBondContact O-CD 3.27Å; P315-P371 WeakPolarHBondContact O-CB 3.31Å
316	T	94.8	Very high	93.6	Very high	8 Å²	8	46.2 Å²	46.2	5%	0.049	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-8.9	-179.1	76.1	0	0	0	0	112.7	A138 K142 D314 C372	A138-T316 HydrophobicContact CB-CG2 3.5Å; K142-T316 HydrophobicContact CD-CG2 4.37Å; K142-T316 WeakPolarHBondContact CE-OG1 3.3Å; K142-T316 PolarHBondContact NZ-OG1 2.92Å; D314-T316 VanDerWaalsContact CG-OG1 3.27Å; D314-T316 PolarHBondContact O-N 3.11Å; D314-T316 VanDerWaalsContact O-N 3.1Å; D314-T316 WeakPolarHBondContact OD1-CA 3.3Å; D314-T316 VanDerWaalsContact OD1-CB 3.29Å; D314-T316 WeakPolarHBondContact OD1-CB 3.3Å; D314-T316 PolarHBondContact OD1-N 2.86Å; D314-T316 PolarHBondContact OD1-OG1 3Å; D314-T316 PolarHBondContact OD2-OG1 3.42Å; T316-C372 VanDerWaalsContact CB-SG 3.52Å
317	A	95.6	Very high	93.7	Very high	12 Å²	12	43.5 Å²	43.5	10%	0.099	23%	0.23	C	C	.	.	S	Bend	trans	-63.1	138.8	177.7	0	0	0	0	0	110.6	R311 D314 P371	R311-A317 HydrophobicContact CB-CB 4.18Å; R311-A317 HydrophobicContact CG-CB 4.08Å; R311-A317 PolarHBondContact NE-O 3.4Å; R311-A317 PolarHBondContact NH2-O 2.83Å; D314-A317 HydrophobicContact CB-CB 4.08Å; D314-A317 WeakPolarHBondContact O-CB 3.18Å; D314-A317 PolarHBondContact O-N 3.11Å; D314-A317 PolarHBondContact OD1-N 2.92Å; D314-A317 PolarHBondContact OD2-N 2.8Å; A317-P371 WeakPolarHBondContact O-CG 3.33Å
318	P	96.7	Very high	94	Very high	34 Å²	34	42.9 Å²	42.9	22%	0.221	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-49.8	142.8	175.5	-31.2	37.2	0	0	0	113.6	R310 E368 M370	R310-P318 PolarHBondContact NH2-O 3.48Å; P318-E368 HydrophobicContact CB-CB 4.17Å; P318-E368 HydrophobicContact CB-CG 4.39Å; P318-E368 VanDerWaalsContact CB-OE2 3.24Å; P318-E368 WeakPolarHBondContact CB-OE2 3.38Å; P318-M370 HydrophobicContact CB-CE 3.56Å; P318-M370 HydrophobicContact CB-SD 4.22Å; P318-M370 HydrophobicContact CG-CE 3.84Å; P318-M370 HydrophobicContact CG-SD 3.88Å
319	I	96.1	Very high	94.4	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	119.3	173.3	-59	169.3	0	0	0	108.2	D286 R289 E307 T321 E368 I369 P371	D286-I319 WeakPolarHBondContact O-CD1 3.4Å; R289-I319 HydrophobicContact CB-CG2 4.16Å; E307-I319 HydrophobicContact CG-CG2 4.49Å; I319-T321 PolarHBondContact O-N 2.79Å; I319-E368 CarbonylContact O-C 3.46Å; I319-E368 VanDerWaalsContact O-CA 3.24Å; I319-E368 WeakPolarHBondContact O-CA 3.48Å; I319-I369 HydrophobicContact CB-CB 4.31Å; I319-I369 PolarHBondContact N-O 2.91Å; I319-I369 PolarHBondContact O-N 3.42Å; I319-P371 HydrophobicContact CD1-CG 4.15Å; I319-P371 HydrophobicContact CG1-CG 4.15Å
320	R	97.3	Very high	94.7	Very high	107 Å²	107	31.4 Å²	31.4	40%	0.404	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	128.4	172.9	-68.9	175.6	179.1	177.5	1	109	E307 W361 E368	E307-R320 PolarHBondContact OE1-N 2.66Å; R320-W361 HydrophobicContact CB-CH2 4.43Å; R320-W361 HydrophobicContact CB-CZ2 4.41Å; R320-W361 HydrophobicContact CG-CH2 4.36Å; R320-E368 HydrophobicContact CG-CG 4.48Å
321	T	97.5	Very high	95	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.006	16%	0.157	C	C	.	.			trans	-121.6	126.4	-177.2	-172.7	0	0	0	0	110.9	G290 I319 T323 W361 L367 I369	G290-T321 PolarHBondContact N-OG1 3.34Å; G290-T321 PolarHBondContact O-OG1 2.85Å; I319-T321 PolarHBondContact O-N 2.79Å; T321-T323 WeakPolarHBondContact CG2-O 3.31Å; T321-T323 PolarHBondContact O-N 2.97Å; T321-T323 PolarHBondContact OG1-O 2.85Å; T321-W361 PolarHBondContact O-NE1 2.91Å; T321-L367 HydrophobicContact CG2-CB 4.11Å; T321-L367 HydrophobicContact CG2-CD2 3.8Å; T321-L367 HydrophobicContact CG2-CG 3.53Å; T321-L367 PolarHBondContact N-O 2.92Å; T321-I369 HydrophobicContact CG2-CD1 4.24Å; T321-I369 HydrophobicContact CG2-CG1 3.95Å
322	P	97.9	Very high	95.2	Very high	1 Å²	1	26 Å²	26	1%	0.006	16%	0.156	C	C	.	.	S	Bend	trans	-55.2	-40.2	175.2	-26.4	30.2	0	0	0	113.2	G290 Y454 V458 W459	G290-P322 WeakPolarHBondContact O-CB 3.36Å; G290-P322 WeakPolarHBondContact O-CD 3.24Å; G290-P322 WeakPolarHBondContact O-CG 3.41Å; P322-Y454 VanDerWaalsContact C-OH 3.27Å; P322-Y454 WeakPolarHBondContact CB-OH 3.24Å; P322-Y454 PolarHBondContact O-OH 3.15Å; P322-V458 HydrophobicContact CB-CG1 4.4Å; P322-W459 HydrophobicContact CB-CB 3.96Å; P322-W459 HydrophobicContact CB-CD2 4.23Å; P322-W459 HydrophobicContact CB-CG 3.82Å; P322-W459 HydrophobicContact CG-CB 3.85Å; P322-W459 HydrophobicContact CG-CD2 4.25Å; P322-W459 HydrophobicContact CG-CG 3.54Å
323	T	97.5	Very high	95.6	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-139.8	167.8	178.5	69.3	0	0	0	0	112.6	G290 G291 F292 F298 T321 L354 S357 F358 L367	G290-T323 WeakPolarHBondContact CA-O 3.24Å; G290-T323 PolarHBondContact O-N 3.16Å; G290-T323 VanDerWaalsContact O-N 3.11Å; G290-T323 PolarHBondContact O-OG1 3.19Å; G291-T323 WeakPolarHBondContact CA-OG1 3.46Å; G291-T323 PolarHBondContact N-OG1 3.3Å; G291-T323 PolarHBondContact O-OG1 3.48Å; G291-T323 VanDerWaalsContact O-OG1 3.13Å; F292-T323 HydrophobicContact CD1-CG2 3.72Å; F292-T323 HydrophobicContact CE1-CG2 4.17Å; F298-T323 WeakPolarHBondContact CD2-OG1 3.36Å; F298-T323 WeakPolarHBondContact CE2-OG1 3.25Å; T321-T323 WeakPolarHBondContact CG2-O 3.31Å; T321-T323 PolarHBondContact O-N 2.97Å; T321-T323 PolarHBondContact OG1-O 2.85Å; T323-L354 HydrophobicContact CG2-CD2 3.64Å; T323-S357 VanDerWaalsContact CA-OG 3.29Å; T323-S357 WeakPolarHBondContact CA-OG 3.33Å; T323-F358 HydrophobicContact CG2-CE1 4.07Å; T323-L367 VanDerWaalsContact C-CD2 3.4Å
324	M	95.6	Very high	96.1	Very high	3 Å²	3	24.6 Å²	24.6	2%	0.015	13%	0.131	C	C	.	.			trans	-118.3	156.5	171.7	57.5	173.2	-177.6	0	0	111.4	V266 F298 G326 F329 N353 M356 S357 L367	V266-M324 HydrophobicContact CG1-SD 4.42Å; F298-M324 WeakPolarHBondContact CD2-O 3.24Å; F298-M324 WeakPolarHBondContact CE2-O 3.05Å; M324-G326 PolarHBondContact O-N 3.39Å; M324-F329 HydrophobicContact CE-CD1 4.21Å; M324-F329 HydrophobicContact CE-CE1 4.23Å; M324-F329 HydrophobicContact CE-CG 4.35Å; M324-F329 HydrophobicContact CE-CZ 4.37Å; M324-F329 HydrophobicContact SD-CB 4.02Å; M324-F329 HydrophobicContact SD-CD1 4Å; M324-F329 HydrophobicContact SD-CD2 4.41Å; M324-F329 HydrophobicContact SD-CG 3.89Å; M324-N353 WeakPolarHBondContact O-CB 3.39Å; M324-N353 PolarHBondContact O-ND2 3.27Å; M324-M356 HydrophobicContact CE-CB 3.84Å; M324-M356 HydrophobicContact CE-CG 3.51Å; M324-S357 PolarHBondContact N-OG 3.5Å; M324-L367 HydrophobicContact CB-CD1 4.24Å; M324-L367 HydrophobicContact CB-CD2 3.85Å; M324-L367 HydrophobicContact CB-CG 4.43Å; M324-L367 HydrophobicContact CG-CD1 4.2Å; M324-L367 HydrophobicContact CG-CD2 3.97Å; M324-L367 HydrophobicContact SD-CD1 3.95Å
325	A	91.4	Very high	96.3	Very high	34 Å²	34	22.4 Å²	22.4	28%	0.281	12%	0.118	S	C	.	.			trans	-66.3	-22.9	173.6	0	0	0	0	0	112.4	I271 F298 W300 G327	I271-A325 HydrophobicContact CD1-CB 4.13Å; F298-A325 HydrophobicContact CD1-CB 4.5Å; F298-A325 HydrophobicContact CE1-CB 3.98Å; F298-A325 HydrophobicContact CE2-CB 4.4Å; F298-A325 HydrophobicContact CZ-CB 3.93Å; W300-A325 HydrophobicContact CZ2-CB 4.09Å; A325-G327 VanDerWaalsContact C-N 3.29Å; A325-G327 PolarHBondContact O-N 3.32Å
326	G	90.7	Very high	96.7	Very high	2 Å²	2	20.6 Å²	20.6	2%	0.021	11%	0.106	C	C	.	.	S	Bend	trans	87.3	-21.7	176.7	0	0	0	0	0	114.7	R226 M324	R226-G326 PolarHBondContact NH1-O 2.85Å; R226-G326 PolarHBondContact NH2-O 3.37Å; R226-G326 VanDerWaalsContact NH2-O 3.07Å; M324-G326 PolarHBondContact O-N 3.39Å
327	G	92.1	Very high	96.8	Very high	9 Å²	9	24 Å²	24	9%	0.093	12%	0.119	C	C	.	.	S	Bend	trans	-61	-48.2	178.9	0	0	0	0	0	113.3	R226 D242 A325	R226-G327 PolarHBondContact NH2-O 3.31Å; D242-G327 WeakPolarHBondContact OD2-CA 3.38Å; A325-G327 VanDerWaalsContact C-N 3.29Å; A325-G327 PolarHBondContact O-N 3.32Å
328	L	97.4	Very high	97	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.01	14%	0.142	C	C	.	.	S	Bend	trans	-131.3	113.1	-166.4	-42.1	178.5	0	0	0	110.6	F240 L241 D242 C245 C268 P269 I271 V375 H377	F240-L328 WeakPolarHBondContact O-CA 3.43Å; L241-L328 HydrophobicContact CB-CD2 4.33Å; L241-L328 HydrophobicContact CD2-CB 4.32Å; L241-L328 HydrophobicContact CD2-CD2 3.8Å; D242-L328 HydrophobicContact CB-CD2 4.36Å; C245-L328 WeakPolarHBondContact SG-CD2 3.45Å; C268-L328 PolarHBondContact SG-O 2.87Å; P269-L328 HydrophobicContact CG-CB 3.87Å; P269-L328 HydrophobicContact CG-CD1 4.36Å; I271-L328 HydrophobicContact CD1-CD1 4.23Å; I271-L328 HydrophobicContact CD1-CG 4.45Å; I271-L328 HydrophobicContact CG1-CD1 4.14Å; I271-L328 HydrophobicContact CG2-CD1 4.03Å; L328-V375 HydrophobicContact CD1-CB 3.98Å; L328-V375 HydrophobicContact CD1-CG1 3.75Å; L328-H377 HydrophobicContact CD1-CB 4.35Å
329	F	98.6	Very high	97	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.009	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163	160.5	175.4	70.4	-79.8	0	0	0	112.1	T239 F240 V266 V267 M324 I331 Y342	T239-F329 WeakPolarHBondContact CA-O 3.37Å; F240-F329 HydrophobicContact CB-CD1 4.16Å; F240-F329 HydrophobicContact CB-CE1 3.85Å; F240-F329 HydrophobicContact CB-CZ 4.33Å; F240-F329 HydrophobicContact CD2-CD1 4.33Å; F240-F329 HydrophobicContact CD2-CD2 4.23Å; F240-F329 AromaticContact CD2-CE1 3.64Å; F240-F329 HydrophobicContact CD2-CE1 3.64Å; F240-F329 AromaticContact CD2-CE2 3.56Å; F240-F329 HydrophobicContact CD2-CE2 3.56Å; F240-F329 AromaticContact CD2-CZ 3.21Å; F240-F329 HydrophobicContact CD2-CZ 3.21Å; F240-F329 HydrophobicContact CE2-CE1 4.46Å; F240-F329 AromaticContact CE2-CE2 3.88Å; F240-F329 HydrophobicContact CE2-CE2 3.88Å; F240-F329 AromaticContact CE2-CZ 3.65Å; F240-F329 HydrophobicContact CE2-CZ 3.65Å; F240-F329 AromaticContact CG-CE1 3.92Å; F240-F329 HydrophobicContact CG-CE1 3.92Å; F240-F329 AromaticContact CG-CZ 3.92Å; F240-F329 HydrophobicContact CG-CZ 3.92Å; F240-F329 PolarHBondContact N-O 2.92Å; F240-F329 PolarHBondContact O-N 3.29Å; V266-F329 HydrophobicContact CG1-CB 4.33Å; V266-F329 HydrophobicContact CG1-CD2 3.64Å; V266-F329 HydrophobicContact CG1-CE2 4.37Å; V266-F329 HydrophobicContact CG1-CG 4.32Å; V267-F329 CarbonylContact O-C 3.55Å; V267-F329 VanDerWaalsContact O-CA 3.24Å; V267-F329 WeakPolarHBondContact O-CA 3.35Å; V267-F329 WeakPolarHBondContact O-CB 3.46Å; M324-F329 HydrophobicContact CE-CD1 4.21Å; M324-F329 HydrophobicContact CE-CE1 4.23Å; M324-F329 HydrophobicContact CE-CG 4.35Å; M324-F329 HydrophobicContact CE-CZ 4.37Å; M324-F329 HydrophobicContact SD-CB 4.02Å; M324-F329 HydrophobicContact SD-CD1 4Å; M324-F329 HydrophobicContact SD-CD2 4.41Å; M324-F329 HydrophobicContact SD-CG 3.89Å; F329-I331 HydrophobicContact CD2-CB 4.38Å; F329-I331 HydrophobicContact CD2-CG2 4.33Å; F329-I331 HydrophobicContact CE2-CB 4.3Å; F329-I331 HydrophobicContact CE2-CG2 3.86Å; F329-Y342 VanDerWaalsContact CE1-OH 3.24Å; F329-Y342 WeakPolarHBondContact CE1-OH 3.5Å; F329-Y342 VanDerWaalsContact CZ-OH 3.26Å; F329-Y342 WeakPolarHBondContact CZ-OH 3.48Å
330	S	98.9	Very high	97.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	144.6	171.8	-56.7	0	0	0	0	110.8	L238 T239 V267	L238-S330 CarbonylContact O-C 3.59Å; L238-S330 VanDerWaalsContact O-CA 3.26Å; L238-S330 WeakPolarHBondContact O-CA 3.36Å; T239-S330 WeakPolarHBondContact CG2-OG 3.41Å; T239-S330 PolarHBondContact OG1-OG 2.81Å; V267-S330 PolarHBondContact N-O 2.82Å; V267-S330 PolarHBondContact O-N 2.86Å
331	I	98.8	Very high	97	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	141.6	-179.3	-172.6	168.7	0	0	0	110.3	V237 L238 F240 V266 F329 R333 Y335 F336 I339	V237-I331 WeakPolarHBondContact CA-O 3.49Å; V237-I331 WeakPolarHBondContact CG1-O 3.38Å; L238-I331 HydrophobicContact CB-CG2 4.07Å; L238-I331 PolarHBondContact N-O 3.39Å; L238-I331 PolarHBondContact O-N 3.2Å; F240-I331 HydrophobicContact CE2-CG2 4.29Å; V266-I331 HydrophobicContact CG1-CB 4.46Å; V266-I331 HydrophobicContact CG2-CB 4.37Å; V266-I331 HydrophobicContact CG2-CD1 3.5Å; V266-I331 HydrophobicContact CG2-CG1 3.85Å; F329-I331 HydrophobicContact CD2-CB 4.38Å; F329-I331 HydrophobicContact CD2-CG2 4.33Å; F329-I331 HydrophobicContact CE2-CB 4.3Å; F329-I331 HydrophobicContact CE2-CG2 3.86Å; I331-R333 PolarHBondContact O-N 3.13Å; I331-Y335 HydrophobicContact CD1-CD1 3.89Å; I331-Y335 HydrophobicContact CD1-CE1 4.34Å; I331-Y335 HydrophobicContact CG1-CD1 3.95Å; I331-F336 HydrophobicContact CD1-CB 3.92Å; I331-F336 HydrophobicContact CD1-CD2 4.13Å; I331-F336 HydrophobicContact CG1-CB 4.17Å; I331-F336 HydrophobicContact CG2-CB 3.96Å; I331-F336 HydrophobicContact CG2-CD2 3.97Å; I331-F336 HydrophobicContact CG2-CG 4.28Å; I331-I339 HydrophobicContact CD1-CD1 4.34Å
332	D	98.8	Very high	96.9	Very high	10 Å²	10	23.8 Å²	23.8	5%	0.053	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	130.7	170.1	176.1	-79	0	0	0	109.7	I259 K263 N334 Y335 F336	I259-D332 HydrophobicContact CG2-CB 3.93Å; K263-D332 HydrophobicContact CB-CB 4.03Å; K263-D332 WeakPolarHBondContact CD-OD2 3.49Å; K263-D332 HydrophobicContact CG-CB 4.45Å; K263-D332 WeakPolarHBondContact O-CB 3.46Å; D332-N334 VanDerWaalsContact C-N 3.34Å; D332-N334 PolarHBondContact O-N 3.11Å; D332-N334 WeakPolarHBondContact OD1-CA 3.24Å; D332-N334 WeakPolarHBondContact OD1-CB 3.15Å; D332-N334 PolarHBondContact OD1-N 3.04Å; D332-Y335 PolarHBondContact O-N 3.5Å; D332-Y335 PolarHBondContact OD1-N 2.62Å; D332-F336 WeakPolarHBondContact O-CB 3.48Å; D332-F336 PolarHBondContact O-N 3.05Å
333	R	98.8	Very high	96.8	Very high	77 Å²	77	23.8 Å²	23.8	29%	0.291	12%	0.121	S	C	.	.	H	α-helix	trans	-62.2	-41.1	-173.3	179.7	174.4	173.7	-118	0.3	112.1	A233 G235 D236 L238 I331 F336 Y337	A233-R333 PolarHBondContact O-NE 2.9Å; A233-R333 VanDerWaalsContact O-NE 3.1Å; A233-R333 PolarHBondContact O-NH2 3.32Å; G235-R333 WeakPolarHBondContact O-CD 3.48Å; D236-R333 VanDerWaalsContact O-CB 3.24Å; D236-R333 WeakPolarHBondContact O-CB 3.39Å; D236-R333 PolarHBondContact O-N 2.83Å; L238-R333 HydrophobicContact CD1-CB 4.46Å; L238-R333 HydrophobicContact CD1-CG 4.24Å; L238-R333 HydrophobicContact CD2-CB 4.14Å; L238-R333 HydrophobicContact CD2-CG 3.91Å; L238-R333 HydrophobicContact CG-CB 3.92Å; L238-R333 HydrophobicContact CG-CG 4.02Å; I331-R333 PolarHBondContact O-N 3.13Å; R333-F336 PolarHBondContact O-N 3.05Å; R333-Y337 HydrophobicContact CG-CD2 4.24Å; R333-Y337 HydrophobicContact CG-CE2 3.95Å; R333-Y337 WeakPolarHBondContact O-CD2 3.49Å; R333-Y337 PolarHBondContact O-N 3.39Å
334	N	98.6	Very high	96.5	Very high	111 Å²	111	29.4 Å²	29.4	59%	0.594	14%	0.143	S	C	*	.	H	α-helix	trans	-70.6	-41.1	179.5	-65.5	-40.6	0	0	0	110.5	D332 Y337 H338	D332-N334 VanDerWaalsContact C-N 3.34Å; D332-N334 PolarHBondContact O-N 3.11Å; D332-N334 WeakPolarHBondContact OD1-CA 3.24Å; D332-N334 WeakPolarHBondContact OD1-CB 3.15Å; D332-N334 PolarHBondContact OD1-N 3.04Å; N334-Y337 PolarHBondContact O-N 3.13Å; N334-H338 VanDerWaalsContact O-CB 3.24Å; N334-H338 WeakPolarHBondContact O-CB 3.39Å; N334-H338 PolarHBondContact O-N 3.18Å
335	Y	98.7	Very high	96.3	Very high	20 Å²	20	34.2 Å²	34.2	8%	0.078	17%	0.165	C	C	.	.	H	α-helix	trans	-60.2	-45.7	174.6	-175.5	-115.8	0	0	0	111.3	K263 T264 V266 I331 D332 Y337 H338 I339 G365	K263-Y335 WeakPolarHBondContact O-CB 3.35Å; T264-Y335 HydrophobicContact CG2-CD2 4.23Å; T264-Y335 HydrophobicContact CG2-CE2 4.02Å; T264-Y335 VanDerWaalsContact O-CE1 3.22Å; T264-Y335 WeakPolarHBondContact O-CE1 3.45Å; V266-Y335 HydrophobicContact CG2-CE1 4.32Å; I331-Y335 HydrophobicContact CD1-CD1 3.89Å; I331-Y335 HydrophobicContact CD1-CE1 4.34Å; I331-Y335 HydrophobicContact CG1-CD1 3.95Å; D332-Y335 PolarHBondContact O-N 3.5Å; D332-Y335 PolarHBondContact OD1-N 2.62Å; Y335-Y337 VanDerWaalsContact C-N 3.32Å; Y335-Y337 PolarHBondContact O-N 3.08Å; Y335-H338 WeakPolarHBondContact O-CB 3.4Å; Y335-H338 PolarHBondContact O-N 2.82Å; Y335-H338 VanDerWaalsContact O-N 3.08Å; Y335-I339 HydrophobicContact CD1-CD1 4.38Å; Y335-I339 HydrophobicContact CD2-CG2 4.01Å; Y335-I339 HydrophobicContact CE1-CD1 3.83Å; Y335-I339 HydrophobicContact CE1-CG1 4.49Å; Y335-I339 HydrophobicContact CE1-CG2 4.25Å; Y335-I339 HydrophobicContact CE2-CG2 3.41Å; Y335-I339 VanDerWaalsContact CE2-CG2 3.41Å; Y335-I339 WeakPolarHBondContact O-CG1 3.4Å; Y335-I339 PolarHBondContact O-N 3.14Å; Y335-G365 VanDerWaalsContact OH-CA 3.24Å; Y335-G365 WeakPolarHBondContact OH-CA 3Å; Y335-G365 PolarHBondContact OH-N 3.19Å
336	F	98.6	Very high	96.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-50.7	-48.5	176.5	175.3	-100.6	0	0	0	112.4	L227 A230 L238 F240 I331 D332 R333 S341 Y342 M356	L227-F336 HydrophobicContact CD2-CE1 4.4Å; L227-F336 HydrophobicContact CD2-CZ 4.17Å; A230-F336 HydrophobicContact CB-CE1 3.99Å; A230-F336 HydrophobicContact CB-CZ 4.48Å; L238-F336 HydrophobicContact CD1-CB 4.11Å; L238-F336 HydrophobicContact CD1-CD1 3.59Å; L238-F336 HydrophobicContact CD1-CD2 4.5Å; L238-F336 HydrophobicContact CD1-CE1 4.07Å; L238-F336 HydrophobicContact CD1-CG 3.83Å; F240-F336 HydrophobicContact CE2-CE2 4.38Å; F240-F336 HydrophobicContact CZ-CE2 4.34Å; F240-F336 HydrophobicContact CZ-CZ 4.32Å; I331-F336 HydrophobicContact CD1-CB 3.92Å; I331-F336 HydrophobicContact CD1-CD2 4.13Å; I331-F336 HydrophobicContact CG1-CB 4.17Å; I331-F336 HydrophobicContact CG2-CB 3.96Å; I331-F336 HydrophobicContact CG2-CD2 3.97Å; I331-F336 HydrophobicContact CG2-CG 4.28Å; D332-F336 WeakPolarHBondContact O-CB 3.48Å; D332-F336 PolarHBondContact O-N 3.05Å; R333-F336 PolarHBondContact O-N 3.05Å; F336-S341 VanDerWaalsContact O-CA 3.26Å; F336-S341 WeakPolarHBondContact O-CA 3.29Å; F336-S341 PolarHBondContact O-N 3Å; F336-Y342 HydrophobicContact CE2-CD2 4.04Å; F336-Y342 HydrophobicContact CE2-CE2 4.13Å; F336-Y342 AromaticContact CZ-CD2 3.89Å; F336-Y342 HydrophobicContact CZ-CD2 3.89Å; F336-Y342 HydrophobicContact CZ-CE2 4.29Å; F336-M356 HydrophobicContact CD2-CE 4.44Å; F336-M356 HydrophobicContact CE2-CE 3.95Å
337	Y	98.3	Very high	96	Very high	79 Å²	79	38.9 Å²	38.9	31%	0.31	18%	0.179	S	C	.	.	H	α-helix	trans	-74.2	-36.5	177.1	-70	-66.1	0	0	0	113.1	A230 E231 R333 N334 Y335 I339 G340	A230-Y337 PolarHBondContact O-OH 3.24Å; E231-Y337 WeakPolarHBondContact CA-OH 3.42Å; E231-Y337 PolarHBondContact N-OH 2.93Å; R333-Y337 HydrophobicContact CG-CD2 4.24Å; R333-Y337 HydrophobicContact CG-CE2 3.95Å; R333-Y337 WeakPolarHBondContact O-CD2 3.49Å; R333-Y337 PolarHBondContact O-N 3.39Å; N334-Y337 PolarHBondContact O-N 3.13Å; Y335-Y337 VanDerWaalsContact C-N 3.32Å; Y335-Y337 PolarHBondContact O-N 3.08Å; Y337-I339 VanDerWaalsContact C-N 3.29Å; Y337-I339 PolarHBondContact O-N 3.04Å; Y337-G340 PolarHBondContact O-N 3.43Å
338	H	97.9	Very high	95.5	Very high	126 Å²	126	39.2 Å²	39.2	58%	0.583	18%	0.178	S	C	*	.	H	α-helix	trans	-57.5	-42.6	177.4	175.3	73.8	0	0	0	111.9	N334 Y335 G340	N334-H338 VanDerWaalsContact O-CB 3.24Å; N334-H338 WeakPolarHBondContact O-CB 3.39Å; N334-H338 PolarHBondContact O-N 3.18Å; Y335-H338 WeakPolarHBondContact O-CB 3.4Å; Y335-H338 PolarHBondContact O-N 2.82Å; Y335-H338 VanDerWaalsContact O-N 3.08Å; H338-G340 PolarHBondContact O-N 2.95Å
339	I	97.8	Very high	94.8	Very high	1 Å²	1	43 Å²	43	1%	0.005	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	13.7	175.7	66.7	166.8	0	0	0	113.4	I331 Y335 Y337 M356 R359 V360 L446	I331-I339 HydrophobicContact CD1-CD1 4.34Å; Y335-I339 HydrophobicContact CD1-CD1 4.38Å; Y335-I339 HydrophobicContact CD2-CG2 4.01Å; Y335-I339 HydrophobicContact CE1-CD1 3.83Å; Y335-I339 HydrophobicContact CE1-CG1 4.49Å; Y335-I339 HydrophobicContact CE1-CG2 4.25Å; Y335-I339 HydrophobicContact CE2-CG2 3.41Å; Y335-I339 VanDerWaalsContact CE2-CG2 3.41Å; Y335-I339 WeakPolarHBondContact O-CG1 3.4Å; Y335-I339 PolarHBondContact O-N 3.14Å; Y337-I339 VanDerWaalsContact C-N 3.29Å; Y337-I339 PolarHBondContact O-N 3.04Å; I339-M356 HydrophobicContact CD1-SD 4.28Å; I339-R359 VanDerWaalsContact CG1-NH1 3.34Å; I339-R359 VanDerWaalsContact O-CD 3.27Å; I339-R359 WeakPolarHBondContact O-CD 3.36Å; I339-R359 PolarHBondContact O-NH1 3.46Å; I339-V360 HydrophobicContact CD1-CG2 3.78Å; I339-L446 HydrophobicContact CB-CD1 4.44Å
340	G	97.2	Very high	94	Very high	14 Å²	14	43 Å²	43	14%	0.144	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	21.4	172.7	0	0	0	0	0	116.4	Y337 H338 R439	Y337-G340 PolarHBondContact O-N 3.43Å; H338-G340 PolarHBondContact O-N 2.95Å; G340-R439 PolarHBondContact O-NH1 3.11Å; G340-R439 PolarHBondContact O-NH2 3.21Å
341	S	96.6	Very high	93.6	Very high	8 Å²	8	43.2 Å²	43.2	6%	0.056	20%	0.195	C	C	.	.			trans	53.8	-139.6	173.2	70	0	0	0	0	113.4	F336 M356 R359	F336-S341 VanDerWaalsContact O-CA 3.26Å; F336-S341 WeakPolarHBondContact O-CA 3.29Å; F336-S341 PolarHBondContact O-N 3Å; S341-M356 WeakPolarHBondContact O-CE 3.27Å; S341-R359 PolarHBondContact O-NH1 3.34Å; S341-R359 VanDerWaalsContact O-NH1 3.1Å; S341-R359 PolarHBondContact O-NH2 3.23Å
342	Y	95.8	Very high	93.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.196	C	C	.	.	S	Bend	trans	-87	159	164.4	-77.8	-73.3	0	0	0	111.4	V223 R226 L227 F329 F336 R344 E352 M356 R439	V223-Y342 HydrophobicContact CG1-CD1 4.44Å; V223-Y342 HydrophobicContact CG1-CG 4.09Å; R226-Y342 HydrophobicContact CB-CD2 4.38Å; R226-Y342 HydrophobicContact CB-CE2 4.02Å; R226-Y342 PolarHBondContact NH1-OH 2.89Å; L227-Y342 HydrophobicContact CD2-CD2 4.29Å; L227-Y342 HydrophobicContact CG-CD2 4.39Å; F329-Y342 VanDerWaalsContact CE1-OH 3.24Å; F329-Y342 WeakPolarHBondContact CE1-OH 3.5Å; F329-Y342 VanDerWaalsContact CZ-OH 3.26Å; F329-Y342 WeakPolarHBondContact CZ-OH 3.48Å; F336-Y342 HydrophobicContact CE2-CD2 4.04Å; F336-Y342 HydrophobicContact CE2-CE2 4.13Å; F336-Y342 AromaticContact CZ-CD2 3.89Å; F336-Y342 HydrophobicContact CZ-CD2 3.89Å; F336-Y342 HydrophobicContact CZ-CE2 4.29Å; Y342-R344 PolarHBondContact O-N 2.76Å; Y342-E352 HydrophobicContact CD1-CB 4.08Å; Y342-E352 HydrophobicContact CD1-CG 4.33Å; Y342-E352 HydrophobicContact CE1-CB 4.03Å; Y342-E352 HydrophobicContact CE1-CG 3.84Å; Y342-M356 HydrophobicContact CD1-CE 3.63Å; Y342-M356 HydrophobicContact CD2-CE 4.32Å; Y342-M356 HydrophobicContact CE1-CE 3.58Å; Y342-M356 HydrophobicContact CE2-CE 4.27Å; Y342-M356 HydrophobicContact CG-CE 4.01Å; Y342-R439 PolarHBondContact O-NH2 2.77Å
343	D	94.7	Very high	93.2	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	20%	0.198	C	C	.	.			trans	-66.3	110.2	166.5	-168.7	-4.9	0	0	0	111.6	E345 M346 R402 R439	D343-E345 PolarHBondContact O-N 2.91Å; D343-E345 PolarHBondContact OD1-N 3.03Å; D343-E345 VanDerWaalsContact OD1-N 3.1Å; D343-M346 HydrophobicContact CB-CB 4.26Å; D343-M346 HydrophobicContact CB-CE 4.36Å; D343-M346 HydrophobicContact CB-CG 3.77Å; D343-M346 HydrophobicContact CB-SD 3.96Å; D343-M346 WeakPolarHBondContact O-CB 3.27Å; D343-M346 PolarHBondContact O-N 3.22Å; D343-R402 VanDerWaalsContact CG-NH2 3.35Å; D343-R402 IonicContact OD1-CZ 2.7Å; D343-R402 IonicContact OD1-NE 2.62Å; D343-R402 IonicContact OD1-NH2 3.41Å; D343-R402 PolarHBondContact OD1-NH2 3.26Å; D343-R402 IonicContact OD2-CZ 3.96Å; D343-R402 IonicContact OD2-NE 2.95Å; D343-R402 PolarHBondContact OD2-NE 2.8Å; D343-R402 IonicContact OD2-NH2 3.31Å; D343-R402 PolarHBondContact OD2-NH2 2.83Å; D343-R439 IonicContact OD1-NE 3.49Å; D343-R439 PolarHBondContact OD1-NE 2.93Å; D343-R439 WeakPolarHBondContact OD2-CG 3.48Å; D343-R439 IonicContact OD2-NE 3.01Å
344	R	92.1	Very high	93.1	Very high	118 Å²	118	40.1 Å²	40.1	45%	0.445	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-21	-178.5	-67.8	-179.1	174.9	-130.3	-13	112.3	Q224 L227 E231 Y342	Q224-R344 PolarHBondContact NE2-O 3.18Å; L227-R344 HydrophobicContact CD1-CG 3.9Å; E231-R344 IonicContact OE1-CZ 3.04Å; E231-R344 IonicContact OE1-NH2 3.8Å; E231-R344 PolarHBondContact OE1-NH2 3.38Å; Y342-R344 PolarHBondContact O-N 2.76Å
345	E	91	Very high	93	Very high	105 Å²	105	34.9 Å²	34.9	49%	0.491	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-5.5	176.8	-64.1	-56.3	124.1	0	0	113	D343 K347 R402	D343-E345 PolarHBondContact O-N 2.91Å; D343-E345 PolarHBondContact OD1-N 3.03Å; D343-E345 VanDerWaalsContact OD1-N 3.1Å; E345-K347 PolarHBondContact O-N 3.47Å; E345-R402 VanDerWaalsContact CB-CZ 3.45Å
346	M	90.2	Very high	93	Very high	0 Å²	0	34 Å²	34	0%	0	15%	0.152	C	C	.	.			trans	-73.2	124.3	168.7	-77.4	-177.2	176.4	0	0	110.1	V223 D343 E352 E355 N399 R402 T403	V223-M346 HydrophobicContact CG1-CB 4.39Å; V223-M346 HydrophobicContact CG2-CB 4.26Å; D343-M346 HydrophobicContact CB-CB 4.26Å; D343-M346 HydrophobicContact CB-CE 4.36Å; D343-M346 HydrophobicContact CB-CG 3.77Å; D343-M346 HydrophobicContact CB-SD 3.96Å; D343-M346 WeakPolarHBondContact O-CB 3.27Å; D343-M346 PolarHBondContact O-N 3.22Å; M346-E352 HydrophobicContact SD-CB 3.87Å; M346-E355 HydrophobicContact CE-CB 3.72Å; M346-E355 HydrophobicContact CE-CG 3.67Å; M346-E355 HydrophobicContact SD-CB 4.45Å; M346-N399 WeakPolarHBondContact CA-OD1 3.08Å; M346-N399 WeakPolarHBondContact CE-O 3.38Å; M346-N399 HydrophobicContact CG-CB 4.15Å; M346-R402 HydrophobicContact CE-CB 4.25Å; M346-T403 WeakPolarHBondContact CE-OG1 3.26Å
347	K	85.3	Confident	93	Very high	134 Å²	134	34 Å²	34	58%	0.583	15%	0.152	S	C	*	.			trans	-98.7	138.5	-174.8	-65.2	-176.7	-177.2	178.7	0	110.4	E345 W349 T395 N399	E345-K347 PolarHBondContact O-N 3.47Å; K347-W349 PolarHBondContact O-N 3.31Å; K347-T395 HydrophobicContact CB-CG2 4Å; K347-T395 WeakPolarHBondContact O-CG2 3.31Å; K347-N399 PolarHBondContact N-OD1 2.79Å; K347-N399 PolarHBondContact O-ND2 2.74Å
348	I	81	Confident	93	Very high	16 Å²	16	30.2 Å²	30.2	8%	0.082	14%	0.137	C	C	.	.	S	Bend	trans	57.1	-86.9	171.7	-50.2	167.7	0	0	0	114.1	L222 V223 F387 T395	L222-I348 WeakPolarHBondContact CA-O 3.27Å; L222-I348 VanDerWaalsContact CB-O 3.23Å; L222-I348 WeakPolarHBondContact CB-O 3.17Å; L222-I348 PolarHBondContact N-O 2.76Å; V223-I348 PolarHBondContact N-O 2.85Å; I348-F387 HydrophobicContact CB-CD1 4.38Å; I348-F387 HydrophobicContact CB-CE1 4.42Å; I348-F387 HydrophobicContact CD1-CB 4.22Å; I348-F387 HydrophobicContact CD1-CD1 3.73Å; I348-F387 HydrophobicContact CD1-CG 4.31Å; I348-F387 HydrophobicContact CG2-CD1 4.11Å; I348-F387 HydrophobicContact CG2-CE1 4Å; I348-T395 HydrophobicContact CB-CG2 4.18Å; I348-T395 HydrophobicContact CD1-CG2 4.45Å
349	W	82.2	Confident	93.1	Very high	82 Å²	82	24.2 Å²	24.2	31%	0.311	11%	0.11	S	C	.	.	S	Bend	trans	-159.6	143.2	-167.9	179.4	84.9	0	0	0	111.1	F62 K347 L396	F62-W349 HydrophobicContact CB-CH2 4.21Å; F62-W349 AromaticContact CD1-CH2 3.74Å; F62-W349 HydrophobicContact CD1-CH2 3.74Å; F62-W349 HydrophobicContact CD1-CZ3 4.04Å; F62-W349 AromaticContact CD2-CH2 3.16Å; F62-W349 HydrophobicContact CD2-CH2 3.16Å; F62-W349 AromaticContact CD2-CZ2 4Å; F62-W349 HydrophobicContact CD2-CZ2 4Å; F62-W349 AromaticContact CD2-CZ3 3.71Å; F62-W349 HydrophobicContact CD2-CZ3 3.71Å; F62-W349 AromaticContact CE1-CH2 3.84Å; F62-W349 HydrophobicContact CE1-CH2 3.84Å; F62-W349 AromaticContact CE1-CZ3 3.63Å; F62-W349 HydrophobicContact CE1-CZ3 3.63Å; F62-W349 HydrophobicContact CE2-CE3 4.27Å; F62-W349 AromaticContact CE2-CH2 3.27Å; F62-W349 HydrophobicContact CE2-CH2 3.27Å; F62-W349 HydrophobicContact CE2-CZ2 4.27Å; F62-W349 AromaticContact CE2-CZ3 3.26Å; F62-W349 HydrophobicContact CE2-CZ3 3.26Å; F62-W349 AromaticContact CG-CH2 3.41Å; F62-W349 HydrophobicContact CG-CH2 3.41Å; F62-W349 VanDerWaalsContact CG-CH2 3.41Å; F62-W349 HydrophobicContact CG-CZ2 4.38Å; F62-W349 HydrophobicContact CG-CZ3 4.08Å; F62-W349 HydrophobicContact CZ-CE3 4.3Å; F62-W349 AromaticContact CZ-CH2 3.63Å; F62-W349 HydrophobicContact CZ-CH2 3.63Å; F62-W349 AromaticContact CZ-CZ3 3.23Å; F62-W349 HydrophobicContact CZ-CZ3 3.23Å; K347-W349 PolarHBondContact O-N 3.31Å; W349-L396 HydrophobicContact CZ3-CD1 4.48Å
350	G	83.6	Confident	93.1	Very high	2 Å²	2	24.2 Å²	24.2	2%	0.021	11%	0.11	C	C	.	.	S	Bend	trans	110.7	133.3	171.5	0	0	0	0	0	112.4	E352 N399	G350-E352 VanDerWaalsContact C-N 3.27Å; G350-E352 VanDerWaalsContact CA-OE2 3.23Å; G350-E352 WeakPolarHBondContact CA-OE2 3.46Å; G350-E352 PolarHBondContact N-OE2 3.21Å; G350-E352 PolarHBondContact O-N 2.98Å; G350-N399 WeakPolarHBondContact O-CB 3.05Å; G350-N399 PolarHBondContact O-ND2 3.34Å
351	G	89.3	Confident	93.2	Very high	4 Å²	4	24.6 Å²	24.6	4%	0.041	11%	0.107	C	C	.	.	S	Bend	trans	85.5	-23.3	177	0	0	0	0	0	115	N353 L354 E355	G351-N353 PolarHBondContact O-N 3.02Å; G351-L354 PolarHBondContact O-N 2.92Å; G351-L354 VanDerWaalsContact O-N 3.11Å; G351-E355 PolarHBondContact O-N 3.27Å
352	E	93.9	Very high	93.3	Very high	4 Å²	4	24.3 Å²	24.3	2%	0.019	11%	0.105	C	C	.	.	H	α-helix	trans	-63	-29.6	-177.4	78.8	-68.7	165.6	0	0	112.8	V223 Y342 M346 G350 M356	V223-E352 HydrophobicContact CG2-CB 3.95Å; V223-E352 HydrophobicContact CG2-CG 4.02Å; Y342-E352 HydrophobicContact CD1-CB 4.08Å; Y342-E352 HydrophobicContact CD1-CG 4.33Å; Y342-E352 HydrophobicContact CE1-CB 4.03Å; Y342-E352 HydrophobicContact CE1-CG 3.84Å; M346-E352 HydrophobicContact SD-CB 3.87Å; G350-E352 VanDerWaalsContact C-N 3.27Å; G350-E352 VanDerWaalsContact CA-OE2 3.23Å; G350-E352 WeakPolarHBondContact CA-OE2 3.46Å; G350-E352 PolarHBondContact N-OE2 3.21Å; G350-E352 PolarHBondContact O-N 2.98Å; E352-M356 VanDerWaalsContact O-CB 3.27Å; E352-M356 WeakPolarHBondContact O-CB 3.27Å; E352-M356 PolarHBondContact O-N 3.02Å
353	N	95.2	Very high	93.4	Very high	17 Å²	17	25.4 Å²	25.4	9%	0.091	11%	0.112	C	C	.	.	H	α-helix	trans	-69.6	-39.2	177.9	69.5	-58.1	0	0	0	111.5	M324 G351 S357	M324-N353 WeakPolarHBondContact O-CB 3.39Å; M324-N353 PolarHBondContact O-ND2 3.27Å; G351-N353 PolarHBondContact O-N 3.02Å; N353-S357 WeakPolarHBondContact O-CB 3.17Å; N353-S357 PolarHBondContact O-N 3.42Å; N353-S357 PolarHBondContact O-OG 3.39Å
354	L	97.2	Very high	93.5	Very high	1 Å²	1	28 Å²	28	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-74.3	-45.2	175.9	-63.2	-177.8	0	0	0	111.3	F292 L296 T323 G351 M356 S357 F358 T403	F292-L354 HydrophobicContact CB-CD1 4.23Å; F292-L354 HydrophobicContact CB-CD2 4.04Å; F292-L354 HydrophobicContact CD1-CD2 4.41Å; F292-L354 HydrophobicContact CG-CD2 4.48Å; L296-L354 HydrophobicContact CB-CD1 3.77Å; L296-L354 HydrophobicContact CD2-CD1 4.08Å; L296-L354 WeakPolarHBondContact O-CD1 3.4Å; T323-L354 HydrophobicContact CG2-CD2 3.64Å; G351-L354 PolarHBondContact O-N 2.92Å; G351-L354 VanDerWaalsContact O-N 3.11Å; L354-M356 PolarHBondContact O-N 2.56Å; L354-S357 WeakPolarHBondContact O-CB 2.99Å; L354-S357 PolarHBondContact O-N 2.9Å; L354-S357 VanDerWaalsContact O-N 3.13Å; L354-F358 HydrophobicContact CB-CE2 4.34Å; L354-F358 HydrophobicContact CB-CZ 4.31Å; L354-F358 WeakPolarHBondContact O-CB 3.47Å; L354-F358 WeakPolarHBondContact O-CG 3.41Å; L354-F358 PolarHBondContact O-N 3.04Å; L354-T403 HydrophobicContact CB-CG2 4.21Å
355	E	97.5	Very high	93.8	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-53.9	-52.4	175.9	-171	-75.2	149	0	0	111.7	M346 G351 S357 F358 R359 T403 W407	M346-E355 HydrophobicContact CE-CB 3.72Å; M346-E355 HydrophobicContact CE-CG 3.67Å; M346-E355 HydrophobicContact SD-CB 4.45Å; G351-E355 PolarHBondContact O-N 3.27Å; E355-S357 VanDerWaalsContact C-N 3.3Å; E355-S357 PolarHBondContact O-N 3.27Å; E355-F358 PolarHBondContact O-N 2.91Å; E355-R359 WeakPolarHBondContact O-CB 3.3Å; E355-R359 PolarHBondContact O-N 3.46Å; E355-R359 IonicContact OE1-CZ 2.62Å; E355-R359 IonicContact OE1-NE 3.57Å; E355-R359 PolarHBondContact OE1-NE 3.42Å; E355-R359 IonicContact OE1-NH2 3.93Å; E355-R359 IonicContact OE2-CZ 3.71Å; E355-R359 IonicContact OE2-NE 2.77Å; E355-R359 PolarHBondContact OE2-NE 3.01Å; E355-R359 IonicContact OE2-NH2 3.44Å; E355-R359 PolarHBondContact OE2-NH2 3.19Å; E355-T403 HydrophobicContact CB-CG2 4.05Å; E355-W407 PolarHBondContact OE1-NE1 2.96Å
356	M	98	Very high	94.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.5	-41.4	178.5	-177	78.5	67	0	0	110.8	M324 F336 I339 S341 Y342 E352 L354 R359 V360	M324-M356 HydrophobicContact CE-CB 3.84Å; M324-M356 HydrophobicContact CE-CG 3.51Å; F336-M356 HydrophobicContact CD2-CE 4.44Å; F336-M356 HydrophobicContact CE2-CE 3.95Å; I339-M356 HydrophobicContact CD1-SD 4.28Å; S341-M356 WeakPolarHBondContact O-CE 3.27Å; Y342-M356 HydrophobicContact CD1-CE 3.63Å; Y342-M356 HydrophobicContact CD2-CE 4.32Å; Y342-M356 HydrophobicContact CE1-CE 3.58Å; Y342-M356 HydrophobicContact CE2-CE 4.27Å; Y342-M356 HydrophobicContact CG-CE 4.01Å; E352-M356 VanDerWaalsContact O-CB 3.27Å; E352-M356 WeakPolarHBondContact O-CB 3.27Å; E352-M356 PolarHBondContact O-N 3.02Å; L354-M356 PolarHBondContact O-N 2.56Å; M356-R359 PolarHBondContact O-N 2.93Å; M356-R359 PolarHBondContact SD-NH1 3.11Å; M356-R359 PolarHBondContact SD-NH2 3.47Å; M356-V360 HydrophobicContact CG-CG2 4.22Å; M356-V360 WeakPolarHBondContact O-CB 3.46Å; M356-V360 WeakPolarHBondContact O-CG2 3.39Å; M356-V360 PolarHBondContact O-N 3Å; M356-V360 HydrophobicContact SD-CG2 4.39Å
357	S	98.6	Very high	94.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-62	-46.7	179.1	-61.1	0	0	0	0	112.1	T323 M324 N353 L354 E355 W361 L367	T323-S357 VanDerWaalsContact CA-OG 3.29Å; T323-S357 WeakPolarHBondContact CA-OG 3.33Å; M324-S357 PolarHBondContact N-OG 3.5Å; N353-S357 WeakPolarHBondContact O-CB 3.17Å; N353-S357 PolarHBondContact O-N 3.42Å; N353-S357 PolarHBondContact O-OG 3.39Å; L354-S357 WeakPolarHBondContact O-CB 2.99Å; L354-S357 PolarHBondContact O-N 2.9Å; L354-S357 VanDerWaalsContact O-N 3.13Å; E355-S357 VanDerWaalsContact C-N 3.3Å; E355-S357 PolarHBondContact O-N 3.27Å; S357-W361 PolarHBondContact O-N 2.93Å; S357-L367 WeakPolarHBondContact OG-CD2 3.32Å
358	F	98.7	Very high	95.2	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-61.7	-45.8	177.3	-66.4	-12.7	0	0	0	111	F292 L296 T323 L354 E355 Q362 T403 W407 M408 F451 Y454	F292-F358 HydrophobicContact CD1-CE1 4.03Å; F292-F358 HydrophobicContact CD1-CZ 4.09Å; F292-F358 AromaticContact CE1-CE1 3.48Å; F292-F358 HydrophobicContact CE1-CE1 3.48Å; F292-F358 VanDerWaalsContact CE1-CE1 3.48Å; F292-F358 AromaticContact CE1-CZ 3.69Å; F292-F358 HydrophobicContact CE1-CZ 3.69Å; F292-F358 HydrophobicContact CE2-CZ 4.2Å; F292-F358 AromaticContact CZ-CE1 3.91Å; F292-F358 HydrophobicContact CZ-CE1 3.91Å; F292-F358 AromaticContact CZ-CZ 3.75Å; F292-F358 HydrophobicContact CZ-CZ 3.75Å; L296-F358 HydrophobicContact CD2-CE2 4.29Å; L296-F358 HydrophobicContact CD2-CZ 4.21Å; T323-F358 HydrophobicContact CG2-CE1 4.07Å; L354-F358 HydrophobicContact CB-CE2 4.34Å; L354-F358 HydrophobicContact CB-CZ 4.31Å; L354-F358 WeakPolarHBondContact O-CB 3.47Å; L354-F358 WeakPolarHBondContact O-CG 3.41Å; L354-F358 PolarHBondContact O-N 3.04Å; E355-F358 PolarHBondContact O-N 2.91Å; F358-Q362 WeakPolarHBondContact O-CB 3.43Å; F358-Q362 VanDerWaalsContact O-CG 3.27Å; F358-Q362 WeakPolarHBondContact O-CG 3.38Å; F358-Q362 PolarHBondContact O-N 2.93Å; F358-Q362 PolarHBondContact O-NE2 3.34Å; F358-T403 HydrophobicContact CD2-CG2 3.82Å; F358-T403 HydrophobicContact CE2-CG2 3.79Å; F358-W407 HydrophobicContact CB-CB 3.94Å; F358-W407 HydrophobicContact CB-CD2 4.49Å; F358-W407 HydrophobicContact CB-CG 4.15Å; F358-W407 HydrophobicContact CD2-CB 3.84Å; F358-W407 HydrophobicContact CG-CB 4.35Å; F358-M408 HydrophobicContact CE2-CG 4.04Å; F358-M408 HydrophobicContact CE2-SD 4.37Å; F358-F451 HydrophobicContact CD1-CE2 4.31Å; F358-F451 HydrophobicContact CD2-CE2 4.36Å; F358-F451 HydrophobicContact CE1-CE2 4.13Å; F358-F451 HydrophobicContact CE2-CE2 4.16Å; F358-F451 HydrophobicContact CG-CE2 4.44Å; F358-F451 HydrophobicContact CZ-CE2 4.05Å; F358-F451 HydrophobicContact CZ-CZ 4.39Å; F358-Y454 HydrophobicContact CD1-CE1 4.15Å; F358-Y454 HydrophobicContact CD1-CE2 4.14Å; F358-Y454 AromaticContact CD1-CZ 3.79Å; F358-Y454 HydrophobicContact CE1-CE1 4.03Å; F358-Y454 AromaticContact CE1-CZ 3.91Å
359	R	98.5	Very high	96	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-63.6	-48.6	178.8	177.2	159.7	44.3	79	10	112.5	I339 S341 E355 M356 W361 Q362 C363 W407	I339-R359 VanDerWaalsContact CG1-NH1 3.34Å; I339-R359 VanDerWaalsContact O-CD 3.27Å; I339-R359 WeakPolarHBondContact O-CD 3.36Å; I339-R359 PolarHBondContact O-NH1 3.46Å; S341-R359 PolarHBondContact O-NH1 3.34Å; S341-R359 VanDerWaalsContact O-NH1 3.1Å; S341-R359 PolarHBondContact O-NH2 3.23Å; E355-R359 WeakPolarHBondContact O-CB 3.3Å; E355-R359 PolarHBondContact O-N 3.46Å; E355-R359 IonicContact OE1-CZ 2.62Å; E355-R359 IonicContact OE1-NE 3.57Å; E355-R359 PolarHBondContact OE1-NE 3.42Å; E355-R359 IonicContact OE1-NH2 3.93Å; E355-R359 IonicContact OE2-CZ 3.71Å; E355-R359 IonicContact OE2-NE 2.77Å; E355-R359 PolarHBondContact OE2-NE 3.01Å; E355-R359 IonicContact OE2-NH2 3.44Å; E355-R359 PolarHBondContact OE2-NH2 3.19Å; M356-R359 PolarHBondContact O-N 2.93Å; M356-R359 PolarHBondContact SD-NH1 3.11Å; M356-R359 PolarHBondContact SD-NH2 3.47Å; R359-W361 VanDerWaalsContact C-N 3.33Å; R359-W361 PolarHBondContact O-N 2.75Å; R359-Q362 PolarHBondContact O-N 3.4Å; R359-C363 WeakPolarHBondContact O-CB 3.16Å; R359-C363 PolarHBondContact O-N 2.99Å; R359-C363 PolarHBondContact O-SG 2.95Å; R359-W407 HydrophobicContact CB-CD2 4.4Å; R359-W407 HydrophobicContact CB-CE3 4.37Å; R359-W407 HydrophobicContact CB-CH2 3.63Å; R359-W407 HydrophobicContact CB-CZ2 3.66Å; R359-W407 HydrophobicContact CB-CZ3 3.98Å; R359-W407 VanDerWaalsContact CD-CZ2 3.44Å; R359-W407 HydrophobicContact CG-CH2 3.48Å; R359-W407 VanDerWaalsContact CG-CH2 3.48Å; R359-W407 HydrophobicContact CG-CZ2 3.75Å; R359-W407 HydrophobicContact CG-CZ3 4.15Å
360	V	98.7	Very high	96.8	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.006	7%	0.068	C	C	.	.	H	α-helix	trans	-53.9	-51.7	178.4	166.5	0	0	0	0	110.2	V266 I339 M356 G364 G365 K366	V266-V360 HydrophobicContact CB-CG1 4.48Å; V266-V360 HydrophobicContact CG2-CB 4.47Å; V266-V360 HydrophobicContact CG2-CG1 3.95Å; V266-V360 HydrophobicContact CG2-CG2 3.62Å; I339-V360 HydrophobicContact CD1-CG2 3.78Å; M356-V360 HydrophobicContact CG-CG2 4.22Å; M356-V360 WeakPolarHBondContact O-CB 3.46Å; M356-V360 WeakPolarHBondContact O-CG2 3.39Å; M356-V360 PolarHBondContact O-N 3Å; M356-V360 HydrophobicContact SD-CG2 4.39Å; V360-G364 PolarHBondContact O-N 3.31Å; V360-G365 CarbonylContact O-C 3.53Å; V360-G365 WeakPolarHBondContact O-CA 3.31Å; V360-G365 PolarHBondContact O-N 3.1Å; V360-K366 WeakPolarHBondContact CG1-O 3.48Å
361	W	98.8	Very high	97.4	Very high	22 Å²	22	10.7 Å²	10.7	8%	0.083	7%	0.068	C	C	.	.	H	α-helix	trans	-68.2	-49.2	-179.4	-81.6	114.7	0	0	0	113.6	R320 T321 S357 R359 C363 G364 K366 L367 W453 Y454 V458	R320-W361 HydrophobicContact CB-CH2 4.43Å; R320-W361 HydrophobicContact CB-CZ2 4.41Å; R320-W361 HydrophobicContact CG-CH2 4.36Å; T321-W361 PolarHBondContact O-NE1 2.91Å; S357-W361 PolarHBondContact O-N 2.93Å; R359-W361 VanDerWaalsContact C-N 3.33Å; R359-W361 PolarHBondContact O-N 2.75Å; W361-C363 PolarHBondContact O-N 3.2Å; W361-G364 PolarHBondContact O-N 3.31Å; W361-K366 HydrophobicContact CH2-CB 3.9Å; W361-K366 HydrophobicContact CH2-CG 4.15Å; W361-K366 HydrophobicContact CZ2-CB 4.41Å; W361-K366 HydrophobicContact CZ3-CB 4.02Å; W361-K366 HydrophobicContact CZ3-CG 3.88Å; W361-L367 HydrophobicContact CZ2-CB 4.38Å; W361-L367 WeakPolarHBondContact CZ2-O 3.38Å; W361-W453 WeakPolarHBondContact O-CZ3 3.47Å; W361-Y454 HydrophobicContact CB-CD2 3.75Å; W361-Y454 HydrophobicContact CB-CE2 3.91Å; W361-Y454 AromaticContact CD1-CE2 3.83Å; W361-Y454 HydrophobicContact CG-CD2 4.27Å; W361-Y454 HydrophobicContact CG-CE2 4.03Å; W361-V458 HydrophobicContact CB-CG2 4.05Å; W361-V458 HydrophobicContact CD2-CB 4.26Å; W361-V458 HydrophobicContact CD2-CG1 3.55Å; W361-V458 HydrophobicContact CD2-CG2 3.63Å; W361-V458 VanDerWaalsContact CE2-CG1 3.43Å; W361-V458 HydrophobicContact CE3-CG1 4.17Å; W361-V458 HydrophobicContact CE3-CG2 3.56Å; W361-V458 HydrophobicContact CG-CB 4.44Å; W361-V458 HydrophobicContact CG-CG1 3.75Å; W361-V458 HydrophobicContact CG-CG2 3.88Å; W361-V458 HydrophobicContact CZ2-CG1 3.97Å; W361-V458 HydrophobicContact CZ3-CG2 4.2Å
362	Q	98.7	Very high	97.7	Very high	2 Å²	2	10.6 Å²	10.6	1%	0.009	7%	0.067	C	C	.	.	H	α-helix	trans	-66.5	-28.8	-176.9	-72.5	179.7	76.2	0	0	111.9	F358 R359 W407 C448 K449	F358-Q362 WeakPolarHBondContact O-CB 3.43Å; F358-Q362 VanDerWaalsContact O-CG 3.27Å; F358-Q362 WeakPolarHBondContact O-CG 3.38Å; F358-Q362 PolarHBondContact O-N 2.93Å; F358-Q362 PolarHBondContact O-NE2 3.34Å; R359-Q362 PolarHBondContact O-N 3.4Å; Q362-W407 HydrophobicContact CB-CZ3 4.45Å; Q362-W407 PolarHBondContact NE2-O 2.86Å; Q362-W407 VanDerWaalsContact NE2-O 3.12Å; Q362-W407 PolarHBondContact OE1-O 3.44Å; Q362-C448 HydrophobicContact CB-CB 4.15Å; Q362-C448 CarbonylContact O-C 3.54Å; Q362-C448 VanDerWaalsContact O-CA 3.29Å; Q362-C448 WeakPolarHBondContact O-CA 3.29Å; Q362-K449 PolarHBondContact O-N 3.02Å; Q362-K449 PolarHBondContact OE1-O 3.33Å
363	C	98.4	Very high	97.9	Very high	24 Å²	24	10.4 Å²	10.4	16%	0.162	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	23.6	-178.4	-48.8	0	0	0	0	113.3	R359 W361 L446 C448	R359-C363 WeakPolarHBondContact O-CB 3.16Å; R359-C363 PolarHBondContact O-N 2.99Å; R359-C363 PolarHBondContact O-SG 2.95Å; W361-C363 PolarHBondContact O-N 3.2Å; C363-L446 HydrophobicContact CB-CB 4.49Å; C363-L446 HydrophobicContact CB-CD1 4.36Å; C363-C448 HydrophobicContact CB-CB 4.07Å; C363-C448 WeakPolarHBondContact CB-SG 3.43Å; C363-C448 WeakPolarHBondContact SG-CB 3.42Å; C363-C448 CovalentContact SG-SG 2.03Å; C363-C448 PolarHBondContact SG-SG 3.32Å
364	G	97.6	Very high	98.1	Very high	54 Å²	54	9.7 Å²	9.7	56%	0.557	6%	0.062	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.3	0.5	166.3	0	0	0	0	0	116.6	V360 W361	V360-G364 PolarHBondContact O-N 3.31Å; W361-G364 PolarHBondContact O-N 3.31Å
365	G	98.5	Very high	98.1	Very high	3 Å²	3	9.6 Å²	9.6	3%	0.031	6%	0.061	C	C	.	.			trans	-84.8	-173.2	169.6	0	0	0	0	0	113.1	T264 Y335 V360	T264-G365 WeakPolarHBondContact O-CA 3.44Å; Y335-G365 VanDerWaalsContact OH-CA 3.24Å; Y335-G365 WeakPolarHBondContact OH-CA 3Å; Y335-G365 PolarHBondContact OH-N 3.19Å; V360-G365 CarbonylContact O-C 3.53Å; V360-G365 WeakPolarHBondContact O-CA 3.31Å; V360-G365 PolarHBondContact O-N 3.1Å
366	K	98.5	Very high	98.1	Very high	63 Å²	63	9.6 Å²	9.6	27%	0.274	6%	0.061	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	150.6	176.6	-54.9	173.9	-164.9	126.9	0	109.8	D262 T264 V265 V266 V360 W361 E368	D262-K366 IonicContact OD2-NZ 3.81Å; D262-K366 PolarHBondContact OD2-NZ 3.44Å; T264-K366 PolarHBondContact O-N 3.09Å; V265-K366 WeakPolarHBondContact CA-O 3.24Å; V265-K366 HydrophobicContact CG1-CB 4.37Å; V265-K366 HydrophobicContact CG2-CB 3.92Å; V265-K366 HydrophobicContact CG2-CD 4.14Å; V265-K366 HydrophobicContact CG2-CG 4.32Å; V266-K366 PolarHBondContact N-O 3.42Å; V360-K366 WeakPolarHBondContact CG1-O 3.48Å; W361-K366 HydrophobicContact CH2-CB 3.9Å; W361-K366 HydrophobicContact CH2-CG 4.15Å; W361-K366 HydrophobicContact CZ2-CB 4.41Å; W361-K366 HydrophobicContact CZ3-CB 4.02Å; W361-K366 HydrophobicContact CZ3-CG 3.88Å; K366-E368 HydrophobicContact CB-CG 4.49Å
367	L	98.6	Very high	98.1	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	123.4	173.8	-169.8	67.3	0	0	0	109.1	V266 T321 T323 M324 S357 W361	V266-L367 HydrophobicContact CB-CD1 3.61Å; V266-L367 HydrophobicContact CG1-CD1 3.59Å; V266-L367 WeakPolarHBondContact O-CA 3.27Å; T321-L367 HydrophobicContact CG2-CB 4.11Å; T321-L367 HydrophobicContact CG2-CD2 3.8Å; T321-L367 HydrophobicContact CG2-CG 3.53Å; T321-L367 PolarHBondContact N-O 2.92Å; T323-L367 VanDerWaalsContact C-CD2 3.4Å; M324-L367 HydrophobicContact CB-CD1 4.24Å; M324-L367 HydrophobicContact CB-CD2 3.85Å; M324-L367 HydrophobicContact CB-CG 4.43Å; M324-L367 HydrophobicContact CG-CD1 4.2Å; M324-L367 HydrophobicContact CG-CD2 3.97Å; M324-L367 HydrophobicContact SD-CD1 3.95Å; S357-L367 WeakPolarHBondContact OG-CD2 3.32Å; W361-L367 HydrophobicContact CZ2-CB 4.38Å; W361-L367 WeakPolarHBondContact CZ2-O 3.38Å
368	E	98.3	Very high	97.9	Very high	9 Å²	9	10.4 Å²	10.4	4%	0.042	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	141.2	-171.7	-62.9	178.3	-175.1	0	0	112.2	R258 V265 V266 V267 C268 P318 I319 R320 K366 M370	R258-E368 IonicContact CZ-OE1 3.68Å; R258-E368 IonicContact CZ-OE2 3.83Å; R258-E368 IonicContact NE-OE1 3.02Å; R258-E368 IonicContact NE-OE2 3.34Å; R258-E368 PolarHBondContact NE-OE2 3.09Å; R258-E368 IonicContact NH2-OE1 2.85Å; R258-E368 PolarHBondContact NH2-OE1 2.89Å; R258-E368 IonicContact NH2-OE2 3.46Å; R258-E368 PolarHBondContact NH2-OE2 3.26Å; V265-E368 HydrophobicContact CG1-CB 4.25Å; V265-E368 HydrophobicContact CG1-CG 4.03Å; V266-E368 PolarHBondContact O-N 3.36Å; V267-E368 CarbonylContact C-O 3.53Å; V267-E368 VanDerWaalsContact CA-O 3.29Å; V267-E368 WeakPolarHBondContact CA-O 3.34Å; C268-E368 PolarHBondContact N-O 3.5Å; P318-E368 HydrophobicContact CB-CB 4.17Å; P318-E368 HydrophobicContact CB-CG 4.39Å; P318-E368 VanDerWaalsContact CB-OE2 3.24Å; P318-E368 WeakPolarHBondContact CB-OE2 3.38Å; I319-E368 CarbonylContact O-C 3.46Å; I319-E368 VanDerWaalsContact O-CA 3.24Å; I319-E368 WeakPolarHBondContact O-CA 3.48Å; R320-E368 HydrophobicContact CG-CG 4.48Å; K366-E368 HydrophobicContact CB-CG 4.49Å; E368-M370 HydrophobicContact CB-CE 3.33Å; E368-M370 HydrophobicContact CG-CE 4.5Å
369	I	97.7	Very high	97.4	Very high	8 Å²	8	11.8 Å²	11.8	4%	0.041	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	129.1	171.2	-60.1	165.5	0	0	0	108.2	C268 V270 F288 R289 W300 I319 T321 P371	C268-I369 HydrophobicContact CB-CG1 4.23Å; C268-I369 CarbonylContact O-C 3.55Å; C268-I369 WeakPolarHBondContact O-CA 3.41Å; V270-I369 HydrophobicContact CG2-CG2 4.05Å; F288-I369 WeakPolarHBondContact O-CD1 3.32Å; R289-I369 HydrophobicContact CB-CD1 4.36Å; W300-I369 HydrophobicContact CH2-CD1 4.35Å; W300-I369 HydrophobicContact CZ3-CD1 3.8Å; I319-I369 HydrophobicContact CB-CB 4.31Å; I319-I369 PolarHBondContact N-O 2.91Å; I319-I369 PolarHBondContact O-N 3.42Å; T321-I369 HydrophobicContact CG2-CD1 4.24Å; T321-I369 HydrophobicContact CG2-CG1 3.95Å; I369-P371 VanDerWaalsContact O-CD 3.3Å; I369-P371 WeakPolarHBondContact O-CD 3.21Å
370	M	97.5	Very high	96.8	Very high	10 Å²	10	13.7 Å²	13.7	5%	0.049	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	107.4	179.1	-62.9	-54.1	106.5	0	0	110.5	P254 L255 R258 V267 C268 P318 E368 C372 S373	P254-M370 HydrophobicContact CB-CB 4.32Å; L255-M370 HydrophobicContact CD2-CB 4.1Å; L255-M370 HydrophobicContact CD2-CG 3.78Å; R258-M370 HydrophobicContact CB-SD 3.8Å; R258-M370 HydrophobicContact CG-CE 3.94Å; R258-M370 HydrophobicContact CG-SD 3.82Å; V267-M370 HydrophobicContact CB-CE 4.25Å; V267-M370 HydrophobicContact CB-CG 4.19Å; V267-M370 HydrophobicContact CG1-CE 3.8Å; V267-M370 HydrophobicContact CG1-CG 4.45Å; V267-M370 HydrophobicContact CG1-SD 4.42Å; C268-M370 PolarHBondContact O-N 3.38Å; P318-M370 HydrophobicContact CB-CE 3.56Å; P318-M370 HydrophobicContact CB-SD 4.22Å; P318-M370 HydrophobicContact CG-CE 3.84Å; P318-M370 HydrophobicContact CG-SD 3.88Å; E368-M370 HydrophobicContact CB-CE 3.33Å; E368-M370 HydrophobicContact CG-CE 4.5Å; M370-C372 PolarHBondContact O-N 3.43Å; M370-S373 PolarHBondContact O-N 3Å
371	P	96.3	Very high	95.8	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.006	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	-13.8	-175.5	-23	35.6	0	0	0	115.2	P315 A317 I319 I369 H374	P315-P371 WeakPolarHBondContact O-CB 3.31Å; A317-P371 WeakPolarHBondContact O-CG 3.33Å; I319-P371 HydrophobicContact CD1-CG 4.15Å; I319-P371 HydrophobicContact CG1-CG 4.15Å; I369-P371 VanDerWaalsContact O-CD 3.3Å; I369-P371 WeakPolarHBondContact O-CD 3.21Å; P371-H374 PolarHBondContact O-NE2 2.87Å
372	C	97.2	Very high	94.7	Very high	3 Å²	3	20.8 Å²	20.8	2%	0.02	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-8.4	177.4	-57.9	0	0	0	0	113.8	R135 C139 P254 T316 M370	R135-C372 VanDerWaalsContact CD-O 3.3Å; R135-C372 WeakPolarHBondContact CD-O 3.31Å; C139-C372 WeakPolarHBondContact CA-SG 3.22Å; C139-C372 HydrophobicContact CB-CB 3.57Å; C139-C372 WeakPolarHBondContact CB-SG 3.47Å; C139-C372 WeakPolarHBondContact SG-CA 3.27Å; C139-C372 WeakPolarHBondContact SG-CB 3.14Å; C139-C372 CovalentContact SG-SG 2.04Å; C139-C372 PolarHBondContact SG-SG 3.36Å; P254-C372 HydrophobicContact CB-CB 4.32Å; P254-C372 HydrophobicContact CG-CB 4.04Å; T316-C372 VanDerWaalsContact CB-SG 3.52Å; M370-C372 PolarHBondContact O-N 3.43Å
373	S	97.9	Very high	93.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	127.7	175.6	178.3	0	0	0	0	109	W251 P269 V270 M370	W251-S373 VanDerWaalsContact O-CB 3.23Å; W251-S373 WeakPolarHBondContact O-CB 3.41Å; W251-S373 PolarHBondContact O-OG 3.07Å; P269-S373 WeakPolarHBondContact CB-OG 3.07Å; V270-S373 WeakPolarHBondContact CB-O 3.42Å; V270-S373 PolarHBondContact N-O 3.45Å; M370-S373 PolarHBondContact O-N 3Å
374	H	97.8	Very high	92.7	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	127.7	-175.1	-83	-96.5	0	0	0	110.3	V134 A248 W251 V270 D272 P371	V134-H374 HydrophobicContact CG2-CB 4.32Å; V134-H374 WeakPolarHBondContact CG2-ND1 3.16Å; A248-H374 HydrophobicContact CB-CB 3.87Å; A248-H374 VanDerWaalsContact CB-O 3.3Å; A248-H374 WeakPolarHBondContact CB-O 3.46Å; A248-H374 PolarHBondContact N-O 3.5Å; W251-H374 WeakPolarHBondContact CB-O 3.37Å; V270-H374 WeakPolarHBondContact O-CA 3.37Å; D272-H374 VanDerWaalsContact CG-ND1 3.31Å; D272-H374 IonicContact OD1-CE1 3.9Å; D272-H374 IonicContact OD1-ND1 3.35Å; D272-H374 PolarHBondContact OD1-ND1 3.23Å; D272-H374 WeakPolarHBondContact OD2-CB 3.17Å; D272-H374 IonicContact OD2-CG 3.86Å; D272-H374 IonicContact OD2-ND1 2.8Å; D272-H374 PolarHBondContact OD2-ND1 2.66Å; P371-H374 PolarHBondContact O-NE2 2.87Å
375	V	98.2	Very high	91.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	121.8	175.8	-178.6	0	0	0	0	108.2	L241 C245 W251 P269 V270 I271 D272 L328	L241-V375 HydrophobicContact CD2-CG1 4.39Å; C245-V375 HydrophobicContact CB-CG1 3.88Å; W251-V375 HydrophobicContact CB-CG2 4.35Å; W251-V375 HydrophobicContact CD2-CG2 4.18Å; W251-V375 HydrophobicContact CE3-CG2 3.57Å; W251-V375 HydrophobicContact CZ3-CG2 4.25Å; P269-V375 HydrophobicContact CB-CB 4.22Å; P269-V375 HydrophobicContact CB-CG2 3.76Å; P269-V375 HydrophobicContact CG-CB 4.04Å; P269-V375 HydrophobicContact CG-CG2 3.79Å; V270-V375 PolarHBondContact O-N 2.75Å; I271-V375 WeakPolarHBondContact CA-O 3.46Å; D272-V375 PolarHBondContact N-O 2.83Å; L328-V375 HydrophobicContact CD1-CB 3.98Å; L328-V375 HydrophobicContact CD1-CG1 3.75Å
376	G	97.5	Very high	90.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	141.4	174.6	0	0	0	0	0	111	C245 E246 D272 Y281	C245-G376 CarbonylContact C-O 3.29Å; C245-G376 WeakPolarHBondContact CA-O 3.38Å; C245-G376 WeakPolarHBondContact CB-O 3.24Å; E246-G376 PolarHBondContact N-O 2.85Å; E246-G376 PolarHBondContact O-N 3.1Å; D272-G376 CarbonylContact O-C 3.54Å; D272-G376 WeakPolarHBondContact O-CA 3.21Å; Y281-G376 PolarHBondContact OH-N 3.13Å
377	H	97.1	Very high	89.1	Confident	17 Å²	17	24.7 Å²	24.7	8%	0.079	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	142.3	-179	-174.1	-81.1	0	0	0	111.1	D242 H244 C245 I271 D272 I274 L328 F379	D242-H377 IonicContact OD2-CD2 2.76Å; D242-H377 IonicContact OD2-CE1 3.54Å; D242-H377 IonicContact OD2-NE2 3.63Å; D242-H377 PolarHBondContact OD2-NE2 2.91Å; H244-H377 AromaticContact CD2-CE1 3.7Å; H244-H377 AromaticContact CD2-NE2 3.66Å; H244-H377 AromaticContact NE2-CE1 3.42Å; H244-H377 PolarHBondContact NE2-CE1 3.41Å; H244-H377 AromaticContact NE2-NE2 3.34Å; H244-H377 PolarHBondContact NE2-NE2 3.07Å; C245-H377 VanDerWaalsContact SG-CD2 3.56Å; I271-H377 HydrophobicContact CG2-CB 3.49Å; I271-H377 VanDerWaalsContact CG2-CB 3.49Å; D272-H377 PolarHBondContact O-N 3.02Å; I274-H377 PolarHBondContact N-O 3.34Å; L328-H377 HydrophobicContact CD1-CB 4.35Å; H377-F379 HydrophobicContact CB-CE2 4.4Å; H377-F379 AromaticContact ND1-CD1 3.96Å
378	I	95.2	Very high	87.5	Confident	1 Å²	1	27.6 Å²	27.6	1%	0.005	14%	0.139	C	C	.	.			trans	-88.3	105.2	171.8	-53.1	175.7	0	0	0	109.8	F117 T164 H244 I274 D276 F279 R380	F117-I378 HydrophobicContact CB-CG2 4.04Å; F117-I378 HydrophobicContact CD1-CD1 4.11Å; F117-I378 HydrophobicContact CD1-CG2 3.98Å; F117-I378 HydrophobicContact CE1-CD1 4.28Å; F117-I378 HydrophobicContact CG-CD1 4.42Å; F117-I378 HydrophobicContact CG-CG2 4.37Å; T164-I378 HydrophobicContact CG2-CD1 3.75Å; H244-I378 HydrophobicContact CB-CB 4.39Å; H244-I378 HydrophobicContact CB-CD1 4Å; H244-I378 HydrophobicContact CB-CG1 4.33Å; H244-I378 PolarHBondContact CD2-O 2.61Å; H244-I378 PolarHBondContact O-N 3.14Å; I274-I378 HydrophobicContact CB-CG1 3.82Å; I274-I378 HydrophobicContact CD1-CG1 4.36Å; I274-I378 HydrophobicContact CG2-CD1 4.42Å; I274-I378 HydrophobicContact CG2-CG1 3.83Å; D276-I378 HydrophobicContact CB-CG2 4.22Å; F279-I378 HydrophobicContact CD1-CD1 4.36Å; F279-I378 HydrophobicContact CE1-CD1 3.41Å; F279-I378 VanDerWaalsContact CE1-CD1 3.41Å; F279-I378 HydrophobicContact CE1-CG1 4.47Å; F279-I378 HydrophobicContact CZ-CD1 3.67Å; I378-R380 PolarHBondContact O-N 3.31Å; I378-R380 VanDerWaalsContact O-N 3.08Å
379	F	89	Confident	85.9	Confident	28 Å²	28	31.4 Å²	31.4	12%	0.123	18%	0.18	C	C	.	.			trans	-77	96.7	174.7	-67.1	-80.5	0	0	0	111.3	I58 I271 V273 H377	I58-F379 HydrophobicContact CB-CD2 4.38Å; I58-F379 HydrophobicContact CG2-CB 3.64Å; I58-F379 HydrophobicContact CG2-CD2 4.27Å; I58-F379 HydrophobicContact CG2-CG 4.03Å; I271-F379 HydrophobicContact CB-CZ 4.29Å; I271-F379 HydrophobicContact CG2-CE1 4.46Å; I271-F379 HydrophobicContact CG2-CE2 4.03Å; I271-F379 HydrophobicContact CG2-CZ 3.52Å; V273-F379 HydrophobicContact CG1-CD2 4.37Å; V273-F379 HydrophobicContact CG2-CD2 4.06Å; V273-F379 HydrophobicContact CG2-CE2 3.81Å; H377-F379 HydrophobicContact CB-CE2 4.4Å; H377-F379 AromaticContact ND1-CD1 3.96Å
380	R	85	Confident	84.2	Confident	41 Å²	41	33.9 Å²	33.9	16%	0.155	21%	0.208	C	C	.	.			trans	-69.5	135.4	174.3	-61.5	175.2	172.8	157.2	1.1	110.6	N115 Q116 E160 I378 K382 H385	N115-R380 PolarHBondContact O-NE 3.06Å; Q116-R380 HydrophobicContact CB-CB 4.12Å; Q116-R380 HydrophobicContact CB-CG 4.11Å; E160-R380 IonicContact OE1-NH2 2.67Å; E160-R380 PolarHBondContact OE1-NH2 3.01Å; E160-R380 IonicContact OE2-CZ 3.81Å; E160-R380 IonicContact OE2-NH2 3.54Å; E160-R380 PolarHBondContact OE2-NH2 2.75Å; I378-R380 PolarHBondContact O-N 3.31Å; I378-R380 VanDerWaalsContact O-N 3.08Å; R380-K382 VanDerWaalsContact C-N 3.29Å; R380-K382 WeakPolarHBondContact CB-O 3.35Å; R380-K382 PolarHBondContact O-N 2.8Å; R380-H385 PolarHBondContact NH1-NE2 3.37Å
381	K	78.3	Confident	82.9	Confident	116 Å²	116	35 Å²	35	50%	0.504	22%	0.217	S	C	.	.	S	Bend	trans	-73.3	-22.2	177	-69.3	169.4	-180	123.3	0	113.3	D276	D276-K381 IonicContact OD1-NZ 2.71Å; D276-K381 IonicContact OD2-NZ 3.39Å; D276-K381 PolarHBondContact OD2-NZ 2.96Å
382	K	74.4	Confident	81.9	Confident	56 Å²	56	36 Å²	36	24%	0.243	22%	0.224	C	C	.	.	S	Bend	trans	-146.4	150.6	179	170.2	171.7	168.3	162.5	0	108.8	I66 S70 Q116 R380	I66-K382 HydrophobicContact CD1-CG 4.01Å; I66-K382 HydrophobicContact CG1-CG 4.17Å; I66-K382 HydrophobicContact CG2-CD 3.69Å; I66-K382 HydrophobicContact CG2-CG 4.19Å; S70-K382 PolarHBondContact OG-NZ 2.74Å; Q116-K382 WeakPolarHBondContact CG-O 3.48Å; R380-K382 VanDerWaalsContact C-N 3.29Å; R380-K382 WeakPolarHBondContact CB-O 3.35Å; R380-K382 PolarHBondContact O-N 2.8Å
383	S	77.6	Confident	80.9	Confident	31 Å²	31	36.6 Å²	36.6	22%	0.217	23%	0.228	C	C	.	.			trans	-70.3	128.3	170.7	-178.8	0	0	0	0	110.2	H385	S383-H385 PolarHBondContact OG-N 3.14Å
384	P	77.5	Confident	79.9	Confident	36 Å²	36	43.5 Å²	43.5	23%	0.234	26%	0.258	C	S	.	.			trans	-76.4	-12.1	171.9	28.7	-30.5	0	0	0	112.4	I114 Q116	I114-P384 WeakPolarHBondContact O-CB 3.28Å; Q116-P384 HydrophobicContact CG-CB 3.85Å; Q116-P384 HydrophobicContact CG-CG 4.34Å
385	H	78.3	Confident	79.2	Confident	45 Å²	45	44.4 Å²	44.4	21%	0.208	26%	0.264	C	S	.	.	S	Bend	trans	-91.4	146.5	-169.3	-49	-60.7	0	0	0	112.2	H158 R380 S383	H158-H385 AromaticContact CD2-ND1 3.75Å; H158-H385 PolarHBondContact O-CE1 3.43Å; H158-H385 PolarHBondContact O-ND1 2.88Å; R380-H385 PolarHBondContact NH1-NE2 3.37Å; S383-H385 PolarHBondContact OG-N 3.14Å
386	D	72.3	Confident	78.5	Confident	84 Å²	84	45.3 Å²	45.3	45%	0.449	27%	0.268	S	S	.	.			trans	-66.5	153.4	170	59.5	-50.6	0	0	0	112.3	H158 R219 P388	H158-D386 IonicContact NE2-OD1 3.38Å; R219-D386 IonicContact CZ-OD1 3.67Å; R219-D386 IonicContact NH1-OD1 3.34Å; R219-D386 PolarHBondContact NH1-OD1 3.01Å; R219-D386 IonicContact NH1-OD2 2.83Å; D386-P388 WeakPolarHBondContact O-CD 3.43Å
387	F	69.5	Low	77.8	Confident	31 Å²	31	45.5 Å²	45.5	14%	0.136	27%	0.27	C	S	.	.			trans	-112.2	97	170.6	-75.7	-102.6	0	0	0	108.6	I348 G389 G390 S392 T395	I348-F387 HydrophobicContact CB-CD1 4.38Å; I348-F387 HydrophobicContact CB-CE1 4.42Å; I348-F387 HydrophobicContact CD1-CB 4.22Å; I348-F387 HydrophobicContact CD1-CD1 3.73Å; I348-F387 HydrophobicContact CD1-CG 4.31Å; I348-F387 HydrophobicContact CG2-CD1 4.11Å; I348-F387 HydrophobicContact CG2-CE1 4Å; F387-G389 PolarHBondContact O-N 3Å; F387-G390 PolarHBondContact O-N 3.36Å; F387-S392 VanDerWaalsContact CD2-CB 3.47Å; F387-S392 VanDerWaalsContact CZ-CB 3.46Å; F387-T395 HydrophobicContact CD1-CG2 4.41Å; F387-T395 HydrophobicContact CE1-CG2 4.44Å
388	P	65.3	Low	77.2	Confident	61 Å²	61	46 Å²	46	40%	0.396	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	125.5	174.7	-26	32.2	0	0	0	110.9	R219 D386	R219-P388 HydrophobicContact CB-CG 3.93Å; R219-P388 HydrophobicContact CG-CG 3.61Å; D386-P388 WeakPolarHBondContact O-CD 3.43Å
389	G	64.4	Low	77	Confident	89 Å²	89	46 Å²	46	92%	0.918	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.3	3.9	-175.2	0	0	0	0	0	115.7	F387	F387-G389 PolarHBondContact O-N 3Å
390	G	61.6	Low	77	Confident	60 Å²	60	45 Å²	45	62%	0.619	27%	0.27	S	S	*	.	S	Bend	trans	101	-13.7	149.5	0	0	0	0	0	117.9	F387	F387-G390 PolarHBondContact O-N 3.36Å
391	S	70	Confident	77.2	Confident	33 Å²	33	43.3 Å²	43.3	23%	0.231	27%	0.265	C	S	.	.			trans	-143.9	111.9	178.6	-173.9	0	0	0	0	113.8	S393 K394 T395	S391-S393 PolarHBondContact O-N 2.71Å; S391-S393 PolarHBondContact OG-N 3.2Å; S391-K394 PolarHBondContact O-N 2.95Å; S391-K394 PolarHBondContact OG-N 3.29Å; S391-T395 PolarHBondContact O-N 3.08Å; S391-T395 VanDerWaalsContact O-N 3.11Å; S391-T395 PolarHBondContact O-OG1 2.92Å
392	S	75.6	Confident	77.9	Confident	22 Å²	22	38.1 Å²	38.1	15%	0.154	24%	0.242	C	C	.	.	H	α-helix	trans	-57.5	-38.8	168.3	60.8	0	0	0	0	112	F387 T395 L396	F387-S392 VanDerWaalsContact CD2-CB 3.47Å; F387-S392 VanDerWaalsContact CZ-CB 3.46Å; S392-T395 PolarHBondContact O-N 3.33Å; S392-L396 VanDerWaalsContact O-CB 3.25Å; S392-L396 WeakPolarHBondContact O-CB 3.11Å; S392-L396 PolarHBondContact O-N 2.58Å
393	S	75.6	Confident	78.8	Confident	17 Å²	17	35.4 Å²	35.4	12%	0.119	23%	0.23	C	C	.	.	H	α-helix	trans	-59.8	-50.1	176.1	-173.2	0	0	0	0	111.2	S391 L396 S397 T422	S391-S393 PolarHBondContact O-N 2.71Å; S391-S393 PolarHBondContact OG-N 3.2Å; S393-L396 PolarHBondContact O-N 3.37Å; S393-S397 VanDerWaalsContact O-CB 3.22Å; S393-S397 WeakPolarHBondContact O-CB 3.44Å; S393-S397 PolarHBondContact O-N 2.8Å; S393-S397 PolarHBondContact O-OG 3.49Å; S393-T422 PolarHBondContact OG-OG1 3.4Å
394	K	78.5	Confident	79.5	Confident	145 Å²	145	34 Å²	34	63%	0.63	22%	0.22	S	C	*	.	H	α-helix	trans	-62	-47.2	179.1	-173.1	176.4	179.6	177	0	112	S391 S397 T398	S391-K394 PolarHBondContact O-N 2.95Å; S391-K394 PolarHBondContact OG-N 3.29Å; K394-S397 WeakPolarHBondContact O-CB 3.43Å; K394-S397 PolarHBondContact O-N 3.36Å; K394-T398 PolarHBondContact O-N 2.78Å; K394-T398 PolarHBondContact O-OG1 3.35Å; K394-T398 VanDerWaalsContact O-OG1 3.1Å
395	T	82.7	Confident	80.2	Confident	20 Å²	20	33.1 Å²	33.1	12%	0.123	21%	0.213	C	C	.	.	H	α-helix	trans	-59.8	-49.1	178.3	-66.2	0	0	0	0	111.7	K347 I348 F387 S391 S392 S397 T398 N399	K347-T395 HydrophobicContact CB-CG2 4Å; K347-T395 WeakPolarHBondContact O-CG2 3.31Å; I348-T395 HydrophobicContact CB-CG2 4.18Å; I348-T395 HydrophobicContact CD1-CG2 4.45Å; F387-T395 HydrophobicContact CD1-CG2 4.41Å; F387-T395 HydrophobicContact CE1-CG2 4.44Å; S391-T395 PolarHBondContact O-N 3.08Å; S391-T395 VanDerWaalsContact O-N 3.11Å; S391-T395 PolarHBondContact O-OG1 2.92Å; S392-T395 PolarHBondContact O-N 3.33Å; T395-S397 VanDerWaalsContact C-N 3.34Å; T395-S397 PolarHBondContact O-N 2.94Å; T395-T398 PolarHBondContact O-N 3.02Å; T395-N399 PolarHBondContact O-N 2.03Å
396	L	83.3	Confident	81	Confident	18 Å²	18	31.1 Å²	31.1	9%	0.094	20%	0.204	C	C	.	.	H	α-helix	trans	-60.4	-45.2	176.9	178.2	63.4	0	0	0	111.2	F62 W349 S392 S393 T398 N399 L400	F62-L396 HydrophobicContact CE1-CD2 3.7Å; F62-L396 HydrophobicContact CZ-CD2 4.44Å; W349-L396 HydrophobicContact CZ3-CD1 4.48Å; S392-L396 VanDerWaalsContact O-CB 3.25Å; S392-L396 WeakPolarHBondContact O-CB 3.11Å; S392-L396 PolarHBondContact O-N 2.58Å; S393-L396 PolarHBondContact O-N 3.37Å; L396-T398 VanDerWaalsContact C-N 3.34Å; L396-T398 PolarHBondContact O-N 2.86Å; L396-N399 PolarHBondContact O-N 2.98Å; L396-L400 HydrophobicContact CD1-CD1 3.89Å; L396-L400 HydrophobicContact CD1-CD2 4.47Å; L396-L400 HydrophobicContact CD1-CG 3.93Å; L396-L400 HydrophobicContact CG-CD1 3.86Å; L396-L400 HydrophobicContact CG-CG 4.27Å; L396-L400 WeakPolarHBondContact O-CB 3.41Å; L396-L400 VanDerWaalsContact O-CG 3.31Å; L396-L400 WeakPolarHBondContact O-CG 3Å; L396-L400 PolarHBondContact O-N 3.45Å
397	S	82	Confident	82.2	Confident	4 Å²	4	27.1 Å²	27.1	3%	0.028	18%	0.182	C	C	.	.	H	α-helix	trans	-57.3	-46.5	178.1	-59	0	0	0	0	111.9	S393 K394 T395 A401 L423	S393-S397 VanDerWaalsContact O-CB 3.22Å; S393-S397 WeakPolarHBondContact O-CB 3.44Å; S393-S397 PolarHBondContact O-N 2.8Å; S393-S397 PolarHBondContact O-OG 3.49Å; K394-S397 WeakPolarHBondContact O-CB 3.43Å; K394-S397 PolarHBondContact O-N 3.36Å; T395-S397 VanDerWaalsContact C-N 3.34Å; T395-S397 PolarHBondContact O-N 2.94Å; S397-A401 VanDerWaalsContact O-CB 3.29Å; S397-A401 WeakPolarHBondContact O-CB 3.17Å; S397-A401 PolarHBondContact O-N 3.18Å; S397-L423 VanDerWaalsContact CA-CD2 3.46Å; S397-L423 WeakPolarHBondContact OG-CD2 3.43Å; S397-L423 WeakPolarHBondContact OG-CG 3.15Å
398	T	85.7	Confident	83.5	Confident	28 Å²	28	25.7 Å²	25.7	17%	0.172	18%	0.176	C	C	.	.	H	α-helix	trans	-62.7	-47.2	177.5	-61.1	0	0	0	0	111.5	K394 T395 L396 L400 A401 R402 L430 V434	K394-T398 PolarHBondContact O-N 2.78Å; K394-T398 PolarHBondContact O-OG1 3.35Å; K394-T398 VanDerWaalsContact O-OG1 3.1Å; T395-T398 PolarHBondContact O-N 3.02Å; L396-T398 VanDerWaalsContact C-N 3.34Å; L396-T398 PolarHBondContact O-N 2.86Å; T398-L400 PolarHBondContact O-N 2.84Å; T398-A401 PolarHBondContact O-N 2.92Å; T398-R402 WeakPolarHBondContact O-CG 3.4Å; T398-R402 PolarHBondContact O-N 2.87Å; T398-L430 HydrophobicContact CG2-CD2 4.39Å; T398-V434 HydrophobicContact CG2-CG2 4.36Å
399	N	89.9	Confident	85	Confident	1 Å²	1	25.3 Å²	25.3	1%	0.005	17%	0.171	C	C	.	.	H	α-helix	trans	-66.2	-39.6	-179.4	-65	-9.6	0	0	0	112.2	M346 K347 G350 T395 L396 R402 T403	M346-N399 WeakPolarHBondContact CA-OD1 3.08Å; M346-N399 WeakPolarHBondContact CE-O 3.38Å; M346-N399 HydrophobicContact CG-CB 4.15Å; K347-N399 PolarHBondContact N-OD1 2.79Å; K347-N399 PolarHBondContact O-ND2 2.74Å; G350-N399 WeakPolarHBondContact O-CB 3.05Å; G350-N399 PolarHBondContact O-ND2 3.34Å; T395-N399 PolarHBondContact O-N 2.03Å; L396-N399 PolarHBondContact O-N 2.98Å; N399-R402 PolarHBondContact O-N 3Å; N399-T403 PolarHBondContact O-N 3.16Å; N399-T403 PolarHBondContact O-OG1 3.35Å
400	L	90.6	Very high	86.4	Confident	8 Å²	8	23.8 Å²	23.8	4%	0.042	14%	0.14	C	C	.	.	H	α-helix	trans	-66.6	-39.8	175.4	-68.5	179	0	0	0	111.8	L296 L396 T398 R402 T403 A404 F415	L296-L400 HydrophobicContact CB-CD2 3.82Å; L296-L400 HydrophobicContact CD1-CB 4.48Å; L296-L400 HydrophobicContact CD1-CD2 4.44Å; L396-L400 HydrophobicContact CD1-CD1 3.89Å; L396-L400 HydrophobicContact CD1-CD2 4.47Å; L396-L400 HydrophobicContact CD1-CG 3.93Å; L396-L400 HydrophobicContact CG-CD1 3.86Å; L396-L400 HydrophobicContact CG-CG 4.27Å; L396-L400 WeakPolarHBondContact O-CB 3.41Å; L396-L400 VanDerWaalsContact O-CG 3.31Å; L396-L400 WeakPolarHBondContact O-CG 3Å; L396-L400 PolarHBondContact O-N 3.45Å; T398-L400 PolarHBondContact O-N 2.84Å; L400-R402 PolarHBondContact O-N 3.38Å; L400-T403 WeakPolarHBondContact O-CB 3.27Å; L400-T403 PolarHBondContact O-N 2.87Å; L400-A404 PolarHBondContact O-N 2.95Å; L400-F415 HydrophobicContact CB-CE1 4.47Å; L400-F415 HydrophobicContact CB-CE2 4.07Å; L400-F415 HydrophobicContact CB-CZ 3.63Å; L400-F415 HydrophobicContact CD1-CE2 4.24Å; L400-F415 HydrophobicContact CD1-CZ 4.43Å
401	A	88.7	Confident	88	Confident	4 Å²	4	21.3 Å²	21.3	3%	0.033	11%	0.112	C	C	.	.	H	α-helix	trans	-60	-44.7	173.6	0	0	0	0	0	111.6	S397 T398 T403 A404 E405 A427 L430	S397-A401 VanDerWaalsContact O-CB 3.29Å; S397-A401 WeakPolarHBondContact O-CB 3.17Å; S397-A401 PolarHBondContact O-N 3.18Å; T398-A401 PolarHBondContact O-N 2.92Å; A401-T403 VanDerWaalsContact C-N 3.29Å; A401-T403 PolarHBondContact O-N 3.44Å; A401-A404 PolarHBondContact O-N 3.37Å; A401-E405 VanDerWaalsContact O-CB 3.32Å; A401-E405 WeakPolarHBondContact O-CB 3.37Å; A401-E405 VanDerWaalsContact O-CG 3.32Å; A401-E405 WeakPolarHBondContact O-CG 3.18Å; A401-E405 PolarHBondContact O-N 3.33Å; A401-A427 HydrophobicContact CB-CB 3.98Å; A401-L430 HydrophobicContact CB-CB 4.45Å
402	R	91.8	Very high	89.1	Confident	7 Å²	7	21.8 Å²	21.8	3%	0.026	11%	0.11	C	C	.	.	H	α-helix	trans	-58.1	-43.2	174	-68.3	179.8	70.8	79.3	3.5	112	D343 E345 M346 T398 N399 L400 V406 V434 D435 M436	D343-R402 VanDerWaalsContact CG-NH2 3.35Å; D343-R402 IonicContact OD1-CZ 2.7Å; D343-R402 IonicContact OD1-NE 2.62Å; D343-R402 IonicContact OD1-NH2 3.41Å; D343-R402 PolarHBondContact OD1-NH2 3.26Å; D343-R402 IonicContact OD2-CZ 3.96Å; D343-R402 IonicContact OD2-NE 2.95Å; D343-R402 PolarHBondContact OD2-NE 2.8Å; D343-R402 IonicContact OD2-NH2 3.31Å; D343-R402 PolarHBondContact OD2-NH2 2.83Å; E345-R402 VanDerWaalsContact CB-CZ 3.45Å; M346-R402 HydrophobicContact CE-CB 4.25Å; T398-R402 WeakPolarHBondContact O-CG 3.4Å; T398-R402 PolarHBondContact O-N 2.87Å; N399-R402 PolarHBondContact O-N 3Å; L400-R402 PolarHBondContact O-N 3.38Å; R402-V406 WeakPolarHBondContact O-CB 3.13Å; R402-V406 VanDerWaalsContact O-CG2 3.23Å; R402-V406 WeakPolarHBondContact O-CG2 3.33Å; R402-V406 PolarHBondContact O-N 3.1Å; R402-V406 VanDerWaalsContact O-N 3.14Å; R402-V434 HydrophobicContact CG-CG1 4.14Å; R402-D435 PolarHBondContact NH1-O 2.79Å; R402-M436 HydrophobicContact CB-SD 4.42Å; R402-M436 HydrophobicContact CG-CG 4.21Å; R402-M436 HydrophobicContact CG-SD 4.25Å
403	T	94.3	Very high	89.8	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-59.9	-49.6	176.6	-56	0	0	0	0	110.9	M346 L354 E355 F358 N399 L400 A401 W407	M346-T403 WeakPolarHBondContact CE-OG1 3.26Å; L354-T403 HydrophobicContact CB-CG2 4.21Å; E355-T403 HydrophobicContact CB-CG2 4.05Å; F358-T403 HydrophobicContact CD2-CG2 3.82Å; F358-T403 HydrophobicContact CE2-CG2 3.79Å; N399-T403 PolarHBondContact O-N 3.16Å; N399-T403 PolarHBondContact O-OG1 3.35Å; L400-T403 WeakPolarHBondContact O-CB 3.27Å; L400-T403 PolarHBondContact O-N 2.87Å; A401-T403 VanDerWaalsContact C-N 3.29Å; A401-T403 PolarHBondContact O-N 3.44Å; T403-W407 WeakPolarHBondContact O-CB 3.26Å; T403-W407 PolarHBondContact O-N 3.3Å; T403-W407 VanDerWaalsContact O-N 3.07Å
404	A	93	Very high	90.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-64.6	-49.5	-178.4	0	0	0	0	0	112.3	L296 L400 A401 V406 W407 M408 K412 F415	L296-A404 HydrophobicContact CD1-CB 4.12Å; L400-A404 PolarHBondContact O-N 2.95Å; A401-A404 PolarHBondContact O-N 3.37Å; A404-V406 VanDerWaalsContact C-N 3.32Å; A404-V406 PolarHBondContact O-N 2.83Å; A404-W407 PolarHBondContact O-N 3.21Å; A404-M408 HydrophobicContact CB-SD 3.77Å; A404-M408 WeakPolarHBondContact O-CB 3.34Å; A404-M408 PolarHBondContact O-N 2.97Å; A404-K412 HydrophobicContact CB-CB 3.89Å; A404-F415 HydrophobicContact CB-CD1 3.7Å; A404-F415 HydrophobicContact CB-CE1 4.2Å; A404-F415 HydrophobicContact CB-CG 4.32Å
405	E	91.7	Very high	91.1	Very high	18 Å²	18	14.7 Å²	14.7	8%	0.084	8%	0.075	C	C	.	.	H	α-helix	trans	-64.8	-32.2	-177.1	-76.2	-66.6	150.4	0	0	114.1	A401 K412 Y416 S431 M436	A401-E405 VanDerWaalsContact O-CB 3.32Å; A401-E405 WeakPolarHBondContact O-CB 3.37Å; A401-E405 VanDerWaalsContact O-CG 3.32Å; A401-E405 WeakPolarHBondContact O-CG 3.18Å; A401-E405 PolarHBondContact O-N 3.33Å; E405-K412 VanDerWaalsContact CD-NZ 3.29Å; E405-K412 WeakPolarHBondContact OE1-CD 3.41Å; E405-K412 IonicContact OE1-NZ 3.53Å; E405-K412 PolarHBondContact OE1-NZ 2.9Å; E405-K412 VanDerWaalsContact OE1-NZ 3.12Å; E405-K412 IonicContact OE2-NZ 3.04Å; E405-K412 PolarHBondContact OE2-NZ 3.39Å; E405-Y416 WeakPolarHBondContact CG-OH 3.42Å; E405-Y416 WeakPolarHBondContact OE1-CE2 3.42Å; E405-Y416 PolarHBondContact OE1-OH 2.8Å; E405-S431 WeakPolarHBondContact OE1-CB 3.48Å; E405-M436 HydrophobicContact CB-CE 3.74Å; E405-M436 HydrophobicContact CB-SD 3.38Å; E405-M436 WeakPolarHBondContact CB-SD 3.34Å; E405-M436 HydrophobicContact CG-CE 3.82Å; E405-M436 HydrophobicContact CG-SD 3.96Å
406	V	95	Very high	91.3	Very high	3 Å²	3	14.1 Å²	14.1	2%	0.018	7%	0.07	C	C	.	.	H	α-helix	trans	-86.6	-37.9	-179.4	178.9	0	0	0	0	111.2	R402 A404 M436 R439 K440 R443	R402-V406 WeakPolarHBondContact O-CB 3.13Å; R402-V406 VanDerWaalsContact O-CG2 3.23Å; R402-V406 WeakPolarHBondContact O-CG2 3.33Å; R402-V406 PolarHBondContact O-N 3.1Å; R402-V406 VanDerWaalsContact O-N 3.14Å; A404-V406 VanDerWaalsContact C-N 3.32Å; A404-V406 PolarHBondContact O-N 2.83Å; V406-M436 HydrophobicContact CG2-CB 4.11Å; V406-M436 HydrophobicContact CG2-CG 4.47Å; V406-M436 HydrophobicContact CG2-SD 4.34Å; V406-R439 HydrophobicContact CB-CB 4.47Å; V406-R439 HydrophobicContact CG1-CB 3.93Å; V406-R439 HydrophobicContact CG2-CB 3.71Å; V406-K440 HydrophobicContact CG2-CG 4.31Å; V406-R443 WeakPolarHBondContact O-CD 3.26Å; V406-R443 PolarHBondContact O-NE 3.4Å; V406-R443 PolarHBondContact O-NH1 2.9Å
407	W	97.6	Very high	91.4	Very high	1 Å²	1	14 Å²	14	0%	0.004	7%	0.07	C	C	.	.	H	α-helix	trans	-120.3	-12.2	-161.9	-61.3	105.4	0	0	0	116.2	E355 F358 R359 Q362 T403 A404 R443 C448 F451	E355-W407 PolarHBondContact OE1-NE1 2.96Å; F358-W407 HydrophobicContact CB-CB 3.94Å; F358-W407 HydrophobicContact CB-CD2 4.49Å; F358-W407 HydrophobicContact CB-CG 4.15Å; F358-W407 HydrophobicContact CD2-CB 3.84Å; F358-W407 HydrophobicContact CG-CB 4.35Å; R359-W407 HydrophobicContact CB-CD2 4.4Å; R359-W407 HydrophobicContact CB-CE3 4.37Å; R359-W407 HydrophobicContact CB-CH2 3.63Å; R359-W407 HydrophobicContact CB-CZ2 3.66Å; R359-W407 HydrophobicContact CB-CZ3 3.98Å; R359-W407 VanDerWaalsContact CD-CZ2 3.44Å; R359-W407 HydrophobicContact CG-CH2 3.48Å; R359-W407 VanDerWaalsContact CG-CH2 3.48Å; R359-W407 HydrophobicContact CG-CZ2 3.75Å; R359-W407 HydrophobicContact CG-CZ3 4.15Å; Q362-W407 HydrophobicContact CB-CZ3 4.45Å; Q362-W407 PolarHBondContact NE2-O 2.86Å; Q362-W407 VanDerWaalsContact NE2-O 3.12Å; Q362-W407 PolarHBondContact OE1-O 3.44Å; T403-W407 WeakPolarHBondContact O-CB 3.26Å; T403-W407 PolarHBondContact O-N 3.3Å; T403-W407 VanDerWaalsContact O-N 3.07Å; A404-W407 PolarHBondContact O-N 3.21Å; W407-R443 HydrophobicContact CE3-CG 4.24Å; W407-R443 HydrophobicContact CH2-CB 3.95Å; W407-R443 HydrophobicContact CH2-CG 4Å; W407-R443 HydrophobicContact CZ3-CB 4.15Å; W407-R443 HydrophobicContact CZ3-CG 3.66Å; W407-C448 HydrophobicContact CZ3-CB 4.25Å; W407-F451 WeakPolarHBondContact O-CB 3.19Å; W407-F451 WeakPolarHBondContact O-CD2 3.32Å
408	M	96.8	Very high	91.6	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.005	7%	0.068	C	C	.	.			trans	-104.4	-1.9	-173.7	-64.2	-179.9	69.7	0	0	114.9	L296 F358 A404 E410 W411 K412 F415 F451	L296-M408 HydrophobicContact CD1-SD 3.69Å; L296-M408 HydrophobicContact CD2-CE 3.98Å; L296-M408 HydrophobicContact CD2-SD 3.62Å; L296-M408 HydrophobicContact CG-SD 4.08Å; F358-M408 HydrophobicContact CE2-CG 4.04Å; F358-M408 HydrophobicContact CE2-SD 4.37Å; A404-M408 HydrophobicContact CB-SD 3.77Å; A404-M408 WeakPolarHBondContact O-CB 3.34Å; A404-M408 PolarHBondContact O-N 2.97Å; M408-E410 PolarHBondContact O-N 2.94Å; M408-W411 HydrophobicContact CB-CB 4.32Å; M408-W411 HydrophobicContact CE-CB 4.03Å; M408-W411 WeakPolarHBondContact O-CB 3.49Å; M408-W411 PolarHBondContact O-N 3.15Å; M408-K412 HydrophobicContact CB-CB 4.35Å; M408-F415 HydrophobicContact CE-CB 4.41Å; M408-F451 HydrophobicContact CB-CD1 4.38Å; M408-F451 HydrophobicContact CB-CE1 4.42Å; M408-F451 HydrophobicContact CB-CG 4.4Å; M408-F451 HydrophobicContact CB-CZ 4.49Å; M408-F451 HydrophobicContact CE-CE1 4.15Å; M408-F451 HydrophobicContact CE-CZ 4.06Å; M408-F451 HydrophobicContact CG-CD2 4.3Å; M408-F451 HydrophobicContact CG-CE1 4.35Å; M408-F451 HydrophobicContact CG-CE2 3.95Å; M408-F451 HydrophobicContact CG-CZ 3.95Å
409	D	95.6	Very high	91.3	Very high	53 Å²	53	12.7 Å²	12.7	28%	0.283	6%	0.061	S	C	.	.	G	3₁₀ helix	trans	50.2	-123.3	-179.2	-55.9	-41.4	0	0	0	111.2	K412 R443 N450 F451	D409-K412 VanDerWaalsContact O-CD 3.27Å; D409-K412 WeakPolarHBondContact O-CD 3.22Å; D409-K412 WeakPolarHBondContact O-CG 3.16Å; D409-R443 IonicContact OD1-CZ 3.28Å; D409-R443 VanDerWaalsContact OD1-CZ 3.31Å; D409-R443 IonicContact OD1-NH1 3.25Å; D409-R443 PolarHBondContact OD1-NH1 3.36Å; D409-R443 IonicContact OD1-NH2 2.75Å; D409-R443 PolarHBondContact OD1-NH2 3.29Å; D409-R443 IonicContact OD2-CZ 2.78Å; D409-R443 IonicContact OD2-NH2 2.9Å; D409-R443 PolarHBondContact OD2-NH2 2.92Å; D409-N450 WeakPolarHBondContact OD2-CA 3.45Å; D409-N450 WeakPolarHBondContact OD2-CB 3.33Å; D409-F451 HydrophobicContact CB-CB 4.39Å; D409-F451 WeakPolarHBondContact OD2-CB 2.99Å; D409-F451 PolarHBondContact OD2-N 2.87Å
410	E	94.5	Very high	90	Very high	57 Å²	57	16.5 Å²	16.5	27%	0.266	9%	0.088	S	C	.	.	G	3₁₀ helix	trans	-72.2	-22.2	178.1	55.4	-174.7	169.1	0	0	114.3	M408 K412 H413 W607 K608	M408-E410 PolarHBondContact O-N 2.94Å; E410-K412 PolarHBondContact O-N 2.91Å; E410-K412 VanDerWaalsContact O-N 3.14Å; E410-H413 PolarHBondContact O-CD2 3.4Å; E410-H413 VanDerWaalsContact O-CD2 3.28Å; E410-H413 PolarHBondContact O-N 2.86Å; E410-W607 HydrophobicContact CB-CZ3 4.38Å; E410-W607 HydrophobicContact CG-CH2 4.06Å; E410-W607 HydrophobicContact CG-CZ3 3.83Å; E410-K608 VanDerWaalsContact CD-NZ 3.32Å; E410-K608 IonicContact OE1-NZ 2.72Å; E410-K608 PolarHBondContact OE1-NZ 3Å; E410-K608 WeakPolarHBondContact OE2-CD 3.39Å; E410-K608 WeakPolarHBondContact OE2-CE 3.45Å; E410-K608 IonicContact OE2-NZ 2.78Å; E410-K608 PolarHBondContact OE2-NZ 3.24Å
411	W	95.5	Very high	88.3	Confident	7 Å²	7	18.9 Å²	18.9	3%	0.027	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-69.9	-11.3	179.5	-72.5	-91.8	0	0	0	113.7	M408 H413 V414 F415 F451 L455 P465 W607	M408-W411 HydrophobicContact CB-CB 4.32Å; M408-W411 HydrophobicContact CE-CB 4.03Å; M408-W411 WeakPolarHBondContact O-CB 3.49Å; M408-W411 PolarHBondContact O-N 3.15Å; W411-H413 PolarHBondContact O-N 3.27Å; W411-V414 WeakPolarHBondContact O-CB 3.29Å; W411-V414 PolarHBondContact O-N 3.23Å; W411-V414 VanDerWaalsContact O-N 3.13Å; W411-F415 PolarHBondContact O-N 2.88Å; W411-F451 HydrophobicContact CB-CD1 3.75Å; W411-F451 HydrophobicContact CB-CE1 3.7Å; W411-F451 AromaticContact CD2-CD1 3.62Å; W411-F451 HydrophobicContact CD2-CD1 3.62Å; W411-F451 HydrophobicContact CD2-CE1 4.18Å; W411-F451 HydrophobicContact CE3-CB 4.09Å; W411-F451 AromaticContact CE3-CD1 3.59Å; W411-F451 HydrophobicContact CE3-CD1 3.59Å; W411-F451 HydrophobicContact CE3-CG 4.34Å; W411-F451 AromaticContact CG-CD1 3.71Å; W411-F451 HydrophobicContact CG-CD1 3.71Å; W411-F451 AromaticContact CG-CE1 3.8Å; W411-F451 HydrophobicContact CG-CE1 3.8Å; W411-F451 HydrophobicContact CZ3-CB 4.44Å; W411-F451 HydrophobicContact CZ3-CD1 4.47Å; W411-L455 HydrophobicContact CD2-CD1 4.1Å; W411-L455 HydrophobicContact CG-CD1 4.37Å; W411-L455 HydrophobicContact CZ2-CD1 4Å; W411-P465 PolarHBondContact NE1-O 2.9Å; W411-W607 AromaticContact CD1-CZ3 3.9Å; W411-W607 HydrophobicContact CD2-CH2 4.39Å; W411-W607 HydrophobicContact CD2-CZ3 4.04Å; W411-W607 AromaticContact CE2-CH2 3.81Å; W411-W607 AromaticContact CE2-CZ3 3.83Å; W411-W607 HydrophobicContact CG-CZ3 4.11Å; W411-W607 HydrophobicContact CH2-CH2 4.44Å; W411-W607 AromaticContact CZ2-CH2 3.85Å; W411-W607 HydrophobicContact CZ2-CH2 3.85Å; W411-W607 HydrophobicContact CZ2-CZ3 4.33Å; W411-W607 AromaticContact NE1-CH2 3.9Å; W411-W607 AromaticContact NE1-CZ3 3.73Å
412	K	92	Very high	86.2	Confident	44 Å²	44	22.9 Å²	22.9	19%	0.191	14%	0.139	C	C	.	.	H	α-helix	trans	-57.2	-29.8	171.6	72.5	-172.7	-173.7	165.2	0	112.4	A404 E405 M408 D409 E410 F415 Y416	A404-K412 HydrophobicContact CB-CB 3.89Å; E405-K412 VanDerWaalsContact CD-NZ 3.29Å; E405-K412 WeakPolarHBondContact OE1-CD 3.41Å; E405-K412 IonicContact OE1-NZ 3.53Å; E405-K412 PolarHBondContact OE1-NZ 2.9Å; E405-K412 VanDerWaalsContact OE1-NZ 3.12Å; E405-K412 IonicContact OE2-NZ 3.04Å; E405-K412 PolarHBondContact OE2-NZ 3.39Å; M408-K412 HydrophobicContact CB-CB 4.35Å; D409-K412 VanDerWaalsContact O-CD 3.27Å; D409-K412 WeakPolarHBondContact O-CD 3.22Å; D409-K412 WeakPolarHBondContact O-CG 3.16Å; E410-K412 PolarHBondContact O-N 2.91Å; E410-K412 VanDerWaalsContact O-N 3.14Å; K412-F415 WeakPolarHBondContact O-CB 3.49Å; K412-F415 PolarHBondContact O-N 3.29Å; K412-Y416 HydrophobicContact CB-CE2 4.12Å; K412-Y416 HydrophobicContact CD-CE2 4.27Å; K412-Y416 HydrophobicContact CG-CD2 4.43Å; K412-Y416 HydrophobicContact CG-CE2 3.97Å; K412-Y416 WeakPolarHBondContact O-CD2 3.49Å; K412-Y416 PolarHBondContact O-N 3.04Å
413	H	90.2	Very high	84.3	Confident	34 Å²	34	23.4 Å²	23.4	16%	0.157	14%	0.142	C	C	.	.	H	α-helix	trans	-68.5	-35.2	178.5	-67.4	-69.6	0	0	0	112	E410 W411 F415 Y416 M417 W607 K608 N610	E410-H413 PolarHBondContact O-CD2 3.4Å; E410-H413 VanDerWaalsContact O-CD2 3.28Å; E410-H413 PolarHBondContact O-N 2.86Å; W411-H413 PolarHBondContact O-N 3.27Å; H413-F415 VanDerWaalsContact C-N 3.35Å; H413-Y416 PolarHBondContact O-N 3.33Å; H413-M417 WeakPolarHBondContact O-CB 3.49Å; H413-M417 VanDerWaalsContact O-CG 3.28Å; H413-M417 WeakPolarHBondContact O-CG 3.44Å; H413-M417 PolarHBondContact O-N 3.02Å; H413-W607 WeakPolarHBondContact CB-O 3.19Å; H413-K608 PolarHBondContact CD2-O 3.17Å; H413-K608 PolarHBondContact NE2-O 2.85Å; H413-N610 VanDerWaalsContact ND1-CG 3.33Å; H413-N610 PolarHBondContact ND1-OD1 3.14Å
414	V	92.1	Very high	82.3	Confident	1 Å²	1	25.2 Å²	25.2	1%	0.006	15%	0.153	C	C	.	.	H	α-helix	trans	-61.5	-45.5	169.5	-179.1	0	0	0	0	110.4	W294 W411 Y416 M417 T418 L464 P465 W607	W294-V414 HydrophobicContact CB-CG1 4.28Å; W294-V414 HydrophobicContact CG-CG1 4.19Å; W411-V414 WeakPolarHBondContact O-CB 3.29Å; W411-V414 PolarHBondContact O-N 3.23Å; W411-V414 VanDerWaalsContact O-N 3.13Å; V414-Y416 VanDerWaalsContact C-N 3.34Å; V414-Y416 PolarHBondContact O-N 2.91Å; V414-M417 HydrophobicContact CG2-CE 4.47Å; V414-M417 PolarHBondContact O-N 2.72Å; V414-T418 HydrophobicContact CG1-CG2 4.21Å; V414-T418 WeakPolarHBondContact O-CB 3.34Å; V414-T418 WeakPolarHBondContact O-CG2 3.23Å; V414-T418 PolarHBondContact O-N 3.37Å; V414-T418 PolarHBondContact O-OG1 3.12Å; V414-L464 HydrophobicContact CG1-CD2 4.01Å; V414-P465 HydrophobicContact CG2-CG 3.63Å; V414-W607 HydrophobicContact CG2-CB 4.02Å; V414-W607 HydrophobicContact CG2-CE3 3.98Å
415	F	90.7	Very high	80.2	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-57.8	-46.2	175.2	162.4	-106.3	0	0	0	111.8	W294 L296 L400 A404 M408 W411 K412 H413 T418 S419 L423 A427	W294-F415 WeakPolarHBondContact O-CA 3.44Å; L296-F415 HydrophobicContact CB-CD2 3.99Å; L296-F415 HydrophobicContact CB-CE2 4.08Å; L296-F415 HydrophobicContact CD1-CB 4.35Å; L296-F415 HydrophobicContact CD1-CD1 4.26Å; L296-F415 HydrophobicContact CD1-CD2 3.52Å; L296-F415 HydrophobicContact CD1-CE1 4.49Å; L296-F415 HydrophobicContact CD1-CE2 3.81Å; L296-F415 HydrophobicContact CD1-CG 3.77Å; L296-F415 HydrophobicContact CD1-CZ 4.29Å; L296-F415 HydrophobicContact CG-CB 4.43Å; L296-F415 HydrophobicContact CG-CD2 3.55Å; L296-F415 HydrophobicContact CG-CE2 4.06Å; L296-F415 HydrophobicContact CG-CG 4.11Å; L400-F415 HydrophobicContact CB-CE1 4.47Å; L400-F415 HydrophobicContact CB-CE2 4.07Å; L400-F415 HydrophobicContact CB-CZ 3.63Å; L400-F415 HydrophobicContact CD1-CE2 4.24Å; L400-F415 HydrophobicContact CD1-CZ 4.43Å; A404-F415 HydrophobicContact CB-CD1 3.7Å; A404-F415 HydrophobicContact CB-CE1 4.2Å; A404-F415 HydrophobicContact CB-CG 4.32Å; M408-F415 HydrophobicContact CE-CB 4.41Å; W411-F415 PolarHBondContact O-N 2.88Å; K412-F415 WeakPolarHBondContact O-CB 3.49Å; K412-F415 PolarHBondContact O-N 3.29Å; H413-F415 VanDerWaalsContact C-N 3.35Å; F415-T418 PolarHBondContact O-N 3.1Å; F415-T418 PolarHBondContact O-OG1 2.94Å; F415-S419 WeakPolarHBondContact CD2-OG 3.4Å; F415-S419 WeakPolarHBondContact CE2-OG 3.5Å; F415-S419 VanDerWaalsContact O-CB 3.28Å; F415-S419 WeakPolarHBondContact O-CB 3.43Å; F415-S419 PolarHBondContact O-N 3.02Å; F415-S419 VanDerWaalsContact O-N 3.12Å; F415-S419 PolarHBondContact O-OG 2.95Å; F415-L423 HydrophobicContact CZ-CD2 4.34Å; F415-A427 HydrophobicContact CE1-CB 4.47Å
416	Y	86.8	Confident	78.3	Confident	7 Å²	7	31.9 Å²	31.9	3%	0.027	20%	0.195	C	C	.	.	H	α-helix	trans	-64.2	-45.6	178.9	-64.8	-43.6	0	0	0	112.6	E405 K412 H413 V414 T418 S419 T424 A427	E405-Y416 WeakPolarHBondContact CG-OH 3.42Å; E405-Y416 WeakPolarHBondContact OE1-CE2 3.42Å; E405-Y416 PolarHBondContact OE1-OH 2.8Å; K412-Y416 HydrophobicContact CB-CE2 4.12Å; K412-Y416 HydrophobicContact CD-CE2 4.27Å; K412-Y416 HydrophobicContact CG-CD2 4.43Å; K412-Y416 HydrophobicContact CG-CE2 3.97Å; K412-Y416 WeakPolarHBondContact O-CD2 3.49Å; K412-Y416 PolarHBondContact O-N 3.04Å; H413-Y416 PolarHBondContact O-N 3.33Å; V414-Y416 VanDerWaalsContact C-N 3.34Å; V414-Y416 PolarHBondContact O-N 2.91Å; Y416-T418 VanDerWaalsContact C-N 3.27Å; Y416-T418 PolarHBondContact O-N 2.92Å; Y416-S419 PolarHBondContact O-N 3.07Å; Y416-T424 WeakPolarHBondContact O-CG2 3.48Å; Y416-A427 HydrophobicContact CD1-CB 3.66Å; Y416-A427 HydrophobicContact CE1-CB 3.36Å
417	M	85.5	Confident	76.3	Confident	17 Å²	17	31.8 Å²	31.8	8%	0.084	19%	0.194	C	C	.	.	H	α-helix	trans	-65.4	-28.8	179.3	-69.1	-175.2	-60.4	0	0	113.6	H413 V414 F471 I605 W607	H413-M417 WeakPolarHBondContact O-CB 3.49Å; H413-M417 VanDerWaalsContact O-CG 3.28Å; H413-M417 WeakPolarHBondContact O-CG 3.44Å; H413-M417 PolarHBondContact O-N 3.02Å; V414-M417 HydrophobicContact CG2-CE 4.47Å; V414-M417 PolarHBondContact O-N 2.72Å; M417-F471 HydrophobicContact CE-CE1 3.76Å; M417-F471 HydrophobicContact CE-CZ 4.37Å; M417-I605 HydrophobicContact SD-CG2 3.99Å; M417-W607 HydrophobicContact CE-CB 3.98Å
418	T	86.5	Confident	74.4	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-97.8	-4.4	-174.4	61.5	0	0	0	0	113.8	W294 V414 F415 Y416 Y509 F512	W294-T418 VanDerWaalsContact C-OG1 3.32Å; W294-T418 HydrophobicContact CB-CG2 3.81Å; W294-T418 WeakPolarHBondContact CB-OG1 3.42Å; W294-T418 HydrophobicContact CD2-CG2 4.28Å; W294-T418 HydrophobicContact CE3-CG2 3.78Å; W294-T418 HydrophobicContact CG-CG2 4.36Å; W294-T418 PolarHBondContact O-OG1 3.41Å; V414-T418 HydrophobicContact CG1-CG2 4.21Å; V414-T418 WeakPolarHBondContact O-CB 3.34Å; V414-T418 WeakPolarHBondContact O-CG2 3.23Å; V414-T418 PolarHBondContact O-N 3.37Å; V414-T418 PolarHBondContact O-OG1 3.12Å; F415-T418 PolarHBondContact O-N 3.1Å; F415-T418 PolarHBondContact O-OG1 2.94Å; Y416-T418 VanDerWaalsContact C-N 3.27Å; Y416-T418 PolarHBondContact O-N 2.92Å; T418-Y509 HydrophobicContact CG2-CD2 4.4Å; T418-Y509 HydrophobicContact CG2-CG 4.28Å; T418-Y509 WeakPolarHBondContact O-CD1 3.34Å; T418-Y509 WeakPolarHBondContact O-CE1 3.22Å; T418-F512 HydrophobicContact CG2-CD2 4.37Å
419	S	79.5	Confident	72.7	Confident	3 Å²	3	38.3 Å²	38.3	2%	0.021	23%	0.233	C	C	.	.	S	Bend	trans	-92.3	126.7	178.2	-64.8	0	0	0	0	111.1	F415 Y416 T424	F415-S419 WeakPolarHBondContact CD2-OG 3.4Å; F415-S419 WeakPolarHBondContact CE2-OG 3.5Å; F415-S419 VanDerWaalsContact O-CB 3.28Å; F415-S419 WeakPolarHBondContact O-CB 3.43Å; F415-S419 PolarHBondContact O-N 3.02Å; F415-S419 VanDerWaalsContact O-N 3.12Å; F415-S419 PolarHBondContact O-OG 2.95Å; Y416-S419 PolarHBondContact O-N 3.07Å; S419-T424 VanDerWaalsContact O-CG2 3.28Å; S419-T424 WeakPolarHBondContact O-CG2 3.46Å
420	S	61.1	Low	71	Confident	82 Å²	82	36.9 Å²	36.9	57%	0.573	23%	0.226	S	C	*	.			trans	-75.2	144	-171.8	58.2	0	0	0	0	114.9	T422 L423	S420-T422 PolarHBondContact O-N 3.5Å; S420-L423 PolarHBondContact O-N 3.12Å
421	G	55.6	Low	69.4	Low	58 Å²	58	36.4 Å²	36.4	60%	0.598	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.4	-93.7	154.7	0	0	0	0	0	115.5	T424	G421-T424 PolarHBondContact O-OG1 2.75Å
422	T	45.5	Very low	68	Low	88 Å²	88	40.7 Å²	40.7	54%	0.54	26%	0.26	S	S	.	.	H	α-helix	trans	-75.9	-25.4	-179.5	47.5	0	0	0	0	112.7	S393 S420 A426	S393-T422 PolarHBondContact OG-OG1 3.4Å; S420-T422 PolarHBondContact O-N 3.5Å; T422-A426 WeakPolarHBondContact O-CB 3.33Å; T422-A426 PolarHBondContact O-N 2.69Å; T422-A426 VanDerWaalsContact O-N 3.16Å
423	L	51.3	Low	67	Low	17 Å²	17	43.6 Å²	43.6	9%	0.089	28%	0.281	C	S	.	.	H	α-helix	trans	-73.8	-41.5	-177	-79.5	154.4	0	0	0	112.8	S397 F415 S420 A427	S397-L423 VanDerWaalsContact CA-CD2 3.46Å; S397-L423 WeakPolarHBondContact OG-CD2 3.43Å; S397-L423 WeakPolarHBondContact OG-CG 3.15Å; F415-L423 HydrophobicContact CZ-CD2 4.34Å; S420-L423 PolarHBondContact O-N 3.12Å; L423-A427 WeakPolarHBondContact O-CA 3.42Å; L423-A427 WeakPolarHBondContact O-CB 3.45Å; L423-A427 PolarHBondContact O-N 2.99Å
424	T	51	Low	66.4	Low	39 Å²	39	43.4 Å²	43.4	24%	0.239	28%	0.283	C	S	.	.	H	α-helix	trans	-59.9	-57.4	-179.9	35.9	0	0	0	0	112.1	Y416 S419 G421 A428	Y416-T424 WeakPolarHBondContact O-CG2 3.48Å; S419-T424 VanDerWaalsContact O-CG2 3.28Å; S419-T424 WeakPolarHBondContact O-CG2 3.46Å; G421-T424 PolarHBondContact O-OG1 2.75Å; T424-A428 VanDerWaalsContact O-CB 3.26Å; T424-A428 WeakPolarHBondContact O-CB 3.38Å; T424-A428 PolarHBondContact O-N 3.34Å; T424-A428 VanDerWaalsContact O-N 3.09Å
425	N	50.4	Low	66.1	Low	119 Å²	119	48.7 Å²	48.7	64%	0.636	31%	0.311	S	S	*	.	H	α-helix	trans	-73.1	-36.4	-175.2	-70.5	-13.8	0	0	0	112.3	N429	N425-N429 WeakPolarHBondContact O-CB 3.46Å; N425-N429 PolarHBondContact O-ND2 3.35Å
426	A	51.6	Low	66.1	Low	39 Å²	39	49.1 Å²	49.1	32%	0.322	31%	0.313	S	S	.	.	H	α-helix	trans	-72.2	-48.8	175.2	0	0	0	0	0	110.3	T422 N429 L430	T422-A426 WeakPolarHBondContact O-CB 3.33Å; T422-A426 PolarHBondContact O-N 2.69Å; T422-A426 VanDerWaalsContact O-N 3.16Å; A426-N429 CarbonylContact O-C 3.57Å; A426-N429 PolarHBondContact O-N 3.39Å; A426-L430 HydrophobicContact CB-CD1 3.95Å; A426-L430 WeakPolarHBondContact O-CA 3.38Å; A426-L430 WeakPolarHBondContact O-CB 3.32Å; A426-L430 VanDerWaalsContact O-CD1 3.26Å; A426-L430 WeakPolarHBondContact O-CD1 3.35Å; A426-L430 WeakPolarHBondContact O-CG 3.32Å; A426-L430 PolarHBondContact O-N 3.48Å
427	A	53.5	Low	66.3	Low	0 Å²	0	53.3 Å²	53.3	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-72.7	-37.5	-169.7	0	0	0	0	0	113.2	A401 F415 Y416 L423 L430 S431	A401-A427 HydrophobicContact CB-CB 3.98Å; F415-A427 HydrophobicContact CE1-CB 4.47Å; Y416-A427 HydrophobicContact CD1-CB 3.66Å; Y416-A427 HydrophobicContact CE1-CB 3.36Å; L423-A427 WeakPolarHBondContact O-CA 3.42Å; L423-A427 WeakPolarHBondContact O-CB 3.45Å; L423-A427 PolarHBondContact O-N 2.99Å; A427-L430 HydrophobicContact CB-CD1 4.48Å; A427-L430 PolarHBondContact O-N 2.86Å; A427-S431 PolarHBondContact O-N 3.35Å
428	A	57.7	Low	66.8	Low	33 Å²	33	57.4 Å²	57.4	27%	0.273	36%	0.358	S	S	.	.	H	α-helix	trans	-61.4	-44.3	171.1	0	0	0	0	0	111.7	T424 S431	T424-A428 VanDerWaalsContact O-CB 3.26Å; T424-A428 WeakPolarHBondContact O-CB 3.38Å; T424-A428 PolarHBondContact O-N 3.34Å; T424-A428 VanDerWaalsContact O-N 3.09Å; A428-S431 PolarHBondContact O-OG 2.81Å
429	N	59.5	Low	67.2	Low	106 Å²	106	57.5 Å²	57.5	57%	0.567	36%	0.359	S	S	*	.	H	α-helix	trans	-74.4	-21.1	174.2	-71.4	-28.6	0	0	0	113.6	N425 A426 S431 S432 T433	N425-N429 WeakPolarHBondContact O-CB 3.46Å; N425-N429 PolarHBondContact O-ND2 3.35Å; A426-N429 CarbonylContact O-C 3.57Å; A426-N429 PolarHBondContact O-N 3.39Å; N429-S431 VanDerWaalsContact C-N 3.29Å; N429-S432 PolarHBondContact O-N 3.31Å; N429-S432 PolarHBondContact O-OG 3.11Å; N429-T433 WeakPolarHBondContact O-CG2 3.16Å; N429-T433 PolarHBondContact O-N 2.73Å; N429-T433 PolarHBondContact O-OG1 3.15Å
430	L	60.5	Low	68	Low	23 Å²	23	62.1 Å²	62.1	12%	0.12	38%	0.378	C	S	.	.	H	α-helix	trans	-70.1	-31.5	177.5	-80.4	155.9	0	0	0	110.1	T398 A401 A426 A427 S432 T433 V434	T398-L430 HydrophobicContact CG2-CD2 4.39Å; A401-L430 HydrophobicContact CB-CB 4.45Å; A426-L430 HydrophobicContact CB-CD1 3.95Å; A426-L430 WeakPolarHBondContact O-CA 3.38Å; A426-L430 WeakPolarHBondContact O-CB 3.32Å; A426-L430 VanDerWaalsContact O-CD1 3.26Å; A426-L430 WeakPolarHBondContact O-CD1 3.35Å; A426-L430 WeakPolarHBondContact O-CG 3.32Å; A426-L430 PolarHBondContact O-N 3.48Å; A427-L430 HydrophobicContact CB-CD1 4.48Å; A427-L430 PolarHBondContact O-N 2.86Å; L430-S432 PolarHBondContact O-N 2.7Å; L430-T433 VanDerWaalsContact CA-OG1 3.3Å; L430-T433 WeakPolarHBondContact CA-OG1 3.28Å; L430-T433 PolarHBondContact O-N 2.87Å; L430-T433 VanDerWaalsContact O-N 3.11Å; L430-V434 HydrophobicContact CB-CG2 4.01Å; L430-V434 HydrophobicContact CD2-CG2 3.28Å; L430-V434 HydrophobicContact CG-CG2 4.25Å; L430-V434 WeakPolarHBondContact O-CB 3.22Å; L430-V434 WeakPolarHBondContact O-CG2 3.21Å; L430-V434 PolarHBondContact O-N 3.3Å
431	S	61.6	Low	69.8	Low	47 Å²	47	62.1 Å²	62.1	33%	0.329	37%	0.369	S	S	.	.	H	α-helix	trans	-57	-33.1	176.5	74.2	0	0	0	0	113.3	E405 A427 A428 N429	E405-S431 WeakPolarHBondContact OE1-CB 3.48Å; A427-S431 PolarHBondContact O-N 3.35Å; A428-S431 PolarHBondContact O-OG 2.81Å; N429-S431 VanDerWaalsContact C-N 3.29Å
432	S	65.6	Low	71.8	Confident	97 Å²	97	60.6 Å²	60.6	68%	0.678	35%	0.347	S	S	*	.	H	α-helix	trans	-92.1	-14.8	178.1	58.4	0	0	0	0	114.1	N429 L430	N429-S432 PolarHBondContact O-N 3.31Å; N429-S432 PolarHBondContact O-OG 3.11Å; L430-S432 PolarHBondContact O-N 2.7Å
433	T	70	Confident	74.3	Confident	105 Å²	105	58.1 Å²	58.1	64%	0.644	33%	0.328	S	S	*	.	H	α-helix	trans	-110.2	-18	-175.6	54.9	0	0	0	0	114.3	N429 L430	N429-T433 WeakPolarHBondContact O-CG2 3.16Å; N429-T433 PolarHBondContact O-N 2.73Å; N429-T433 PolarHBondContact O-OG1 3.15Å; L430-T433 VanDerWaalsContact CA-OG1 3.3Å; L430-T433 WeakPolarHBondContact CA-OG1 3.28Å; L430-T433 PolarHBondContact O-N 2.87Å; L430-T433 VanDerWaalsContact O-N 3.11Å
434	V	78.4	Confident	76.5	Confident	31 Å²	31	65.1 Å²	65.1	19%	0.188	35%	0.353	C	S	.	.	S	Bend	trans	-104.9	120.1	-179	-179.3	0	0	0	0	110.2	T398 R402 L430 M436	T398-V434 HydrophobicContact CG2-CG2 4.36Å; R402-V434 HydrophobicContact CG-CG1 4.14Å; L430-V434 HydrophobicContact CB-CG2 4.01Å; L430-V434 HydrophobicContact CD2-CG2 3.28Å; L430-V434 HydrophobicContact CG-CG2 4.25Å; L430-V434 WeakPolarHBondContact O-CB 3.22Å; L430-V434 WeakPolarHBondContact O-CG2 3.21Å; L430-V434 PolarHBondContact O-N 3.3Å; V434-M436 HydrophobicContact CG1-CG 4.3Å; V434-M436 WeakPolarHBondContact O-CE 3.13Å; V434-M436 PolarHBondContact O-N 2.76Å
435	D	86.3	Confident	78.8	Confident	111 Å²	111	70.6 Å²	70.6	59%	0.594	37%	0.374	S	S	*	.			trans	-68.6	119.4	175.7	-175.3	11.9	0	0	0	111.2	R402 T437	R402-D435 PolarHBondContact NH1-O 2.79Å; D435-T437 WeakPolarHBondContact OD1-CB 3.24Å; D435-T437 PolarHBondContact OD1-N 3.22Å; D435-T437 PolarHBondContact OD1-OG1 3.01Å
436	M	89.8	Confident	81	Confident	9 Å²	9	66.8 Å²	66.8	4%	0.044	35%	0.353	C	S	.	.			trans	-121.5	14.8	176.8	-64.1	171	-80.1	0	0	111.5	R402 E405 V406 V434 E438 R439 K440	R402-M436 HydrophobicContact CB-SD 4.42Å; R402-M436 HydrophobicContact CG-CG 4.21Å; R402-M436 HydrophobicContact CG-SD 4.25Å; E405-M436 HydrophobicContact CB-CE 3.74Å; E405-M436 HydrophobicContact CB-SD 3.38Å; E405-M436 WeakPolarHBondContact CB-SD 3.34Å; E405-M436 HydrophobicContact CG-CE 3.82Å; E405-M436 HydrophobicContact CG-SD 3.96Å; V406-M436 HydrophobicContact CG2-CB 4.11Å; V406-M436 HydrophobicContact CG2-CG 4.47Å; V406-M436 HydrophobicContact CG2-SD 4.34Å; V434-M436 HydrophobicContact CG1-CG 4.3Å; V434-M436 WeakPolarHBondContact O-CE 3.13Å; V434-M436 PolarHBondContact O-N 2.76Å; M436-E438 PolarHBondContact O-N 2.67Å; M436-R439 PolarHBondContact O-N 2.92Å; M436-K440 WeakPolarHBondContact O-CG 2.98Å; M436-K440 PolarHBondContact O-N 3.5Å
437	T	92.5	Very high	83.3	Confident	96 Å²	96	73.8 Å²	73.8	59%	0.589	38%	0.377	S	S	*	.	H	α-helix	trans	-58.4	-46.3	-174.1	-55.4	0	0	0	0	111.2	D435 R439 K440 E441	D435-T437 WeakPolarHBondContact OD1-CB 3.24Å; D435-T437 PolarHBondContact OD1-N 3.22Å; D435-T437 PolarHBondContact OD1-OG1 3.01Å; T437-R439 VanDerWaalsContact C-N 3.32Å; T437-R439 PolarHBondContact O-N 3.37Å; T437-K440 PolarHBondContact O-N 3Å; T437-E441 VanDerWaalsContact O-CB 3.22Å; T437-E441 WeakPolarHBondContact O-CB 3.28Å; T437-E441 PolarHBondContact O-N 3.16Å
438	E	94.9	Very high	85.4	Confident	103 Å²	103	74.8 Å²	74.8	48%	0.481	38%	0.383	S	S	.	.	H	α-helix	trans	-56.3	-45.1	177.9	-171.5	-161.8	140.8	0	0	111.9	M436 E441 L442	M436-E438 PolarHBondContact O-N 2.67Å; E438-E441 PolarHBondContact O-N 3.32Å; E438-L442 WeakPolarHBondContact O-CB 3.35Å; E438-L442 PolarHBondContact O-N 3.27Å
439	R	96.2	Very high	87.4	Confident	2 Å²	2	77.8 Å²	77.8	1%	0.008	39%	0.39	C	S	.	.	H	α-helix	trans	-72.4	-39.8	-177.3	-68.8	-72.3	146.1	-171	-13.8	112.2	G340 Y342 D343 V406 M436 T437 L442 R443	G340-R439 PolarHBondContact O-NH1 3.11Å; G340-R439 PolarHBondContact O-NH2 3.21Å; Y342-R439 PolarHBondContact O-NH2 2.77Å; D343-R439 IonicContact OD1-NE 3.49Å; D343-R439 PolarHBondContact OD1-NE 2.93Å; D343-R439 WeakPolarHBondContact OD2-CG 3.48Å; D343-R439 IonicContact OD2-NE 3.01Å; V406-R439 HydrophobicContact CB-CB 4.47Å; V406-R439 HydrophobicContact CG1-CB 3.93Å; V406-R439 HydrophobicContact CG2-CB 3.71Å; M436-R439 PolarHBondContact O-N 2.92Å; T437-R439 VanDerWaalsContact C-N 3.32Å; T437-R439 PolarHBondContact O-N 3.37Å; R439-L442 PolarHBondContact O-N 3.47Å; R439-R443 PolarHBondContact O-N 2.93Å
440	K	96.1	Very high	89.2	Confident	99 Å²	99	76.7 Å²	76.7	43%	0.43	38%	0.384	S	S	.	.	H	α-helix	trans	-64.8	-41.4	174.4	-70.9	-178.9	176.3	-179.6	0	111.3	V406 M436 T437 R443 R444	V406-K440 HydrophobicContact CG2-CG 4.31Å; M436-K440 WeakPolarHBondContact O-CG 2.98Å; M436-K440 PolarHBondContact O-N 3.5Å; T437-K440 PolarHBondContact O-N 3Å; K440-R443 PolarHBondContact O-N 3.37Å; K440-R444 PolarHBondContact O-N 2.97Å
441	E	97.4	Very high	91	Very high	82 Å²	82	75.6 Å²	75.6	38%	0.383	38%	0.378	S	S	.	.	H	α-helix	trans	-66.4	-41.3	176.7	177.6	51	-149.9	0	0	111.9	T437 E438 R443 R444 K445	T437-E441 VanDerWaalsContact O-CB 3.22Å; T437-E441 WeakPolarHBondContact O-CB 3.28Å; T437-E441 PolarHBondContact O-N 3.16Å; E438-E441 PolarHBondContact O-N 3.32Å; E441-R443 PolarHBondContact O-N 3.48Å; E441-R444 VanDerWaalsContact CD-NH2 3.26Å; E441-R444 PolarHBondContact O-N 3.4Å; E441-R444 IonicContact OE1-CZ 2.73Å; E441-R444 IonicContact OE1-NE 3.22Å; E441-R444 IonicContact OE1-NH2 3.44Å; E441-R444 PolarHBondContact OE1-NH2 2.95Å; E441-R444 IonicContact OE2-CZ 3.13Å; E441-R444 IonicContact OE2-NE 3.95Å; E441-R444 PolarHBondContact OE2-NE 3.29Å; E441-R444 IonicContact OE2-NH2 3.46Å; E441-R444 PolarHBondContact OE2-NH2 3.48Å; E441-R444 VanDerWaalsContact OE2-NH2 3.12Å; E441-K445 VanDerWaalsContact O-CB 3.32Å; E441-K445 WeakPolarHBondContact O-CB 2.87Å; E441-K445 PolarHBondContact O-N 3.17Å
442	L	98.1	Very high	92.8	Very high	27 Å²	27	75.6 Å²	75.6	14%	0.141	38%	0.378	C	S	.	.	H	α-helix	trans	-57.2	-49	171.9	178.2	68.9	0	0	0	111.5	E438 R439 R444 K445 L446	E438-L442 WeakPolarHBondContact O-CB 3.35Å; E438-L442 PolarHBondContact O-N 3.27Å; R439-L442 PolarHBondContact O-N 3.47Å; L442-R444 VanDerWaalsContact C-N 3.29Å; L442-R444 PolarHBondContact O-N 3.06Å; L442-K445 PolarHBondContact O-N 2.92Å; L442-L446 HydrophobicContact CD1-CD1 3.78Å; L442-L446 HydrophobicContact CD1-CG 4.12Å; L442-L446 HydrophobicContact CG-CD1 3.98Å; L442-L446 WeakPolarHBondContact O-CB 2.98Å; L442-L446 WeakPolarHBondContact O-CG 3.2Å; L442-L446 PolarHBondContact O-N 3.08Å
443	R	98.2	Very high	94.3	Very high	35 Å²	35	73.9 Å²	73.9	13%	0.132	36%	0.357	C	S	.	.	H	α-helix	trans	-57.2	-42.6	177.6	-173.5	177.7	-178.7	-151.9	-1.5	111.5	V406 W407 D409 R439 K440 E441 K447 C448 K449	V406-R443 WeakPolarHBondContact O-CD 3.26Å; V406-R443 PolarHBondContact O-NE 3.4Å; V406-R443 PolarHBondContact O-NH1 2.9Å; W407-R443 HydrophobicContact CE3-CG 4.24Å; W407-R443 HydrophobicContact CH2-CB 3.95Å; W407-R443 HydrophobicContact CH2-CG 4Å; W407-R443 HydrophobicContact CZ3-CB 4.15Å; W407-R443 HydrophobicContact CZ3-CG 3.66Å; D409-R443 IonicContact OD1-CZ 3.28Å; D409-R443 VanDerWaalsContact OD1-CZ 3.31Å; D409-R443 IonicContact OD1-NH1 3.25Å; D409-R443 PolarHBondContact OD1-NH1 3.36Å; D409-R443 IonicContact OD1-NH2 2.75Å; D409-R443 PolarHBondContact OD1-NH2 3.29Å; D409-R443 IonicContact OD2-CZ 2.78Å; D409-R443 IonicContact OD2-NH2 2.9Å; D409-R443 PolarHBondContact OD2-NH2 2.92Å; R439-R443 PolarHBondContact O-N 2.93Å; K440-R443 PolarHBondContact O-N 3.37Å; E441-R443 PolarHBondContact O-N 3.48Å; R443-K447 PolarHBondContact O-N 3.22Å; R443-C448 HydrophobicContact CG-CB 3.83Å; R443-C448 PolarHBondContact O-N 3.29Å; R443-C448 VanDerWaalsContact O-N 3.11Å; R443-C448 PolarHBondContact O-SG 2.83Å; R443-K449 PolarHBondContact NH2-O 3.36Å
444	R	98	Very high	95.7	Very high	164 Å²	164	68.9 Å²	68.9	62%	0.619	33%	0.326	S	S	*	.	H	α-helix	trans	-65.8	-48.8	176.4	-170.6	-170	70.8	81.2	-2.7	112.1	K440 E441 L442 L446 K447	K440-R444 PolarHBondContact O-N 2.97Å; E441-R444 VanDerWaalsContact CD-NH2 3.26Å; E441-R444 PolarHBondContact O-N 3.4Å; E441-R444 IonicContact OE1-CZ 2.73Å; E441-R444 IonicContact OE1-NE 3.22Å; E441-R444 IonicContact OE1-NH2 3.44Å; E441-R444 PolarHBondContact OE1-NH2 2.95Å; E441-R444 IonicContact OE2-CZ 3.13Å; E441-R444 IonicContact OE2-NE 3.95Å; E441-R444 PolarHBondContact OE2-NE 3.29Å; E441-R444 IonicContact OE2-NH2 3.46Å; E441-R444 PolarHBondContact OE2-NH2 3.48Å; E441-R444 VanDerWaalsContact OE2-NH2 3.12Å; L442-R444 VanDerWaalsContact C-N 3.29Å; L442-R444 PolarHBondContact O-N 3.06Å; R444-L446 VanDerWaalsContact C-N 3.33Å; R444-L446 PolarHBondContact O-N 3.22Å; R444-K447 PolarHBondContact O-N 3.21Å
445	K	98.1	Very high	96.6	Very high	155 Å²	155	67.5 Å²	67.5	67%	0.674	32%	0.318	S	S	*	.	H	α-helix	trans	-59.4	-42.4	-179.2	179.2	-179.3	176.4	-178.6	0	112.1	E441 L442 K447	E441-K445 VanDerWaalsContact O-CB 3.32Å; E441-K445 WeakPolarHBondContact O-CB 2.87Å; E441-K445 PolarHBondContact O-N 3.17Å; L442-K445 PolarHBondContact O-N 2.92Å; K445-K447 PolarHBondContact O-N 3.49Å
446	L	98.2	Very high	97.1	Very high	39 Å²	39	65.9 Å²	65.9	20%	0.204	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-2.9	177.8	-66.6	177.4	0	0	0	113.3	I339 C363 L442 R444 C448	I339-L446 HydrophobicContact CB-CD1 4.44Å; C363-L446 HydrophobicContact CB-CB 4.49Å; C363-L446 HydrophobicContact CB-CD1 4.36Å; L442-L446 HydrophobicContact CD1-CD1 3.78Å; L442-L446 HydrophobicContact CD1-CG 4.12Å; L442-L446 HydrophobicContact CG-CD1 3.98Å; L442-L446 WeakPolarHBondContact O-CB 2.98Å; L442-L446 WeakPolarHBondContact O-CG 3.2Å; L442-L446 PolarHBondContact O-N 3.08Å; R444-L446 VanDerWaalsContact C-N 3.33Å; R444-L446 PolarHBondContact O-N 3.22Å; L446-C448 WeakPolarHBondContact CB-SG 3.3Å; L446-C448 PolarHBondContact O-N 3.42Å
447	K	98.2	Very high	97.5	Very high	186 Å²	186	70 Å²	70	81%	0.809	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	42.8	-177.3	-56.2	-180	-178.8	-179.9	0	111.9	R443 R444 K445	R443-K447 PolarHBondContact O-N 3.22Å; R444-K447 PolarHBondContact O-N 3.21Å; K445-K447 PolarHBondContact O-N 3.49Å
448	C	98.6	Very high	97.7	Very high	20 Å²	20	66.1 Å²	66.1	14%	0.135	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-66.1	146.9	-177.5	-49.4	0	0	0	0	110.5	Q362 C363 W407 R443 L446	Q362-C448 HydrophobicContact CB-CB 4.15Å; Q362-C448 CarbonylContact O-C 3.54Å; Q362-C448 VanDerWaalsContact O-CA 3.29Å; Q362-C448 WeakPolarHBondContact O-CA 3.29Å; C363-C448 HydrophobicContact CB-CB 4.07Å; C363-C448 WeakPolarHBondContact CB-SG 3.43Å; C363-C448 WeakPolarHBondContact SG-CB 3.42Å; C363-C448 CovalentContact SG-SG 2.03Å; C363-C448 PolarHBondContact SG-SG 3.32Å; W407-C448 HydrophobicContact CZ3-CB 4.25Å; R443-C448 HydrophobicContact CG-CB 3.83Å; R443-C448 PolarHBondContact O-N 3.29Å; R443-C448 VanDerWaalsContact O-N 3.11Å; R443-C448 PolarHBondContact O-SG 2.83Å; L446-C448 WeakPolarHBondContact CB-SG 3.3Å; L446-C448 PolarHBondContact O-N 3.42Å
449	K	98.7	Very high	97.8	Very high	97 Å²	97	61.3 Å²	61.3	42%	0.422	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-68.9	163.1	176.9	-56.7	-173.9	179.1	-160.3	0	110.4	Q362 R443 W453	Q362-K449 PolarHBondContact O-N 3.02Å; Q362-K449 PolarHBondContact OE1-O 3.33Å; R443-K449 PolarHBondContact NH2-O 3.36Å; K449-W453 HydrophobicContact CB-CB 4.06Å; K449-W453 HydrophobicContact CB-CD2 3.78Å; K449-W453 HydrophobicContact CB-CE3 3.67Å; K449-W453 HydrophobicContact CB-CG 3.91Å; K449-W453 HydrophobicContact CB-CZ3 4.43Å; K449-W453 HydrophobicContact CD-CD2 3.16Å; K449-W453 HydrophobicContact CD-CE3 3.53Å; K449-W453 HydrophobicContact CD-CG 3.63Å; K449-W453 HydrophobicContact CD-CH2 3.89Å; K449-W453 HydrophobicContact CD-CZ2 3.57Å; K449-W453 HydrophobicContact CD-CZ3 3.88Å; K449-W453 HydrophobicContact CG-CD2 4.1Å; K449-W453 HydrophobicContact CG-CE3 4.2Å; K449-W453 HydrophobicContact CG-CG 4.37Å; K449-W453 VanDerWaalsContact NZ-CE2 3.32Å
450	N	98.4	Very high	97.7	Very high	83 Å²	83	64.7 Å²	64.7	44%	0.444	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-80.4	169.4	178.2	65.9	14.2	0	0	0	112	D409 S452 W453 Y454	D409-N450 WeakPolarHBondContact OD2-CA 3.45Å; D409-N450 WeakPolarHBondContact OD2-CB 3.33Å; N450-S452 VanDerWaalsContact C-N 3.33Å; N450-S452 PolarHBondContact O-N 3.18Å; N450-W453 WeakPolarHBondContact O-CB 3.45Å; N450-W453 PolarHBondContact O-N 3.04Å; N450-W453 VanDerWaalsContact OD1-CB 3.28Å; N450-W453 WeakPolarHBondContact OD1-CB 3.35Å; N450-W453 PolarHBondContact OD1-N 2.82Å; N450-Y454 PolarHBondContact O-N 3.3Å
451	F	98.3	Very high	97.5	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-68.8	-32.5	-179.1	-163.7	-113	0	0	0	112.4	F292 F358 W407 M408 D409 W411 W453 Y454 L455 L464	F292-F451 HydrophobicContact CE2-CZ 4.36Å; F292-F451 AromaticContact CZ-CZ 3.83Å; F292-F451 HydrophobicContact CZ-CZ 3.83Å; F358-F451 HydrophobicContact CD1-CE2 4.31Å; F358-F451 HydrophobicContact CD2-CE2 4.36Å; F358-F451 HydrophobicContact CE1-CE2 4.13Å; F358-F451 HydrophobicContact CE2-CE2 4.16Å; F358-F451 HydrophobicContact CG-CE2 4.44Å; F358-F451 HydrophobicContact CZ-CE2 4.05Å; F358-F451 HydrophobicContact CZ-CZ 4.39Å; W407-F451 WeakPolarHBondContact O-CB 3.19Å; W407-F451 WeakPolarHBondContact O-CD2 3.32Å; M408-F451 HydrophobicContact CB-CD1 4.38Å; M408-F451 HydrophobicContact CB-CE1 4.42Å; M408-F451 HydrophobicContact CB-CG 4.4Å; M408-F451 HydrophobicContact CB-CZ 4.49Å; M408-F451 HydrophobicContact CE-CE1 4.15Å; M408-F451 HydrophobicContact CE-CZ 4.06Å; M408-F451 HydrophobicContact CG-CD2 4.3Å; M408-F451 HydrophobicContact CG-CE1 4.35Å; M408-F451 HydrophobicContact CG-CE2 3.95Å; M408-F451 HydrophobicContact CG-CZ 3.95Å; D409-F451 HydrophobicContact CB-CB 4.39Å; D409-F451 WeakPolarHBondContact OD2-CB 2.99Å; D409-F451 PolarHBondContact OD2-N 2.87Å; W411-F451 HydrophobicContact CB-CD1 3.75Å; W411-F451 HydrophobicContact CB-CE1 3.7Å; W411-F451 AromaticContact CD2-CD1 3.62Å; W411-F451 HydrophobicContact CD2-CD1 3.62Å; W411-F451 HydrophobicContact CD2-CE1 4.18Å; W411-F451 HydrophobicContact CE3-CB 4.09Å; W411-F451 AromaticContact CE3-CD1 3.59Å; W411-F451 HydrophobicContact CE3-CD1 3.59Å; W411-F451 HydrophobicContact CE3-CG 4.34Å; W411-F451 AromaticContact CG-CD1 3.71Å; W411-F451 HydrophobicContact CG-CD1 3.71Å; W411-F451 AromaticContact CG-CE1 3.8Å; W411-F451 HydrophobicContact CG-CE1 3.8Å; W411-F451 HydrophobicContact CZ3-CB 4.44Å; W411-F451 HydrophobicContact CZ3-CD1 4.47Å; F451-W453 VanDerWaalsContact C-N 3.29Å; F451-W453 PolarHBondContact O-N 2.76Å; F451-Y454 AromaticContact CD2-CD1 3.98Å; F451-Y454 HydrophobicContact CD2-CD1 3.98Å; F451-Y454 HydrophobicContact CD2-CG 4.4Å; F451-Y454 AromaticContact CE2-CD1 3.69Å; F451-Y454 HydrophobicContact CE2-CD1 3.69Å; F451-Y454 HydrophobicContact CE2-CE1 4.04Å; F451-Y454 HydrophobicContact CE2-CG 4.46Å; F451-Y454 HydrophobicContact CZ-CD1 4.26Å; F451-Y454 HydrophobicContact CZ-CE1 4.46Å; F451-Y454 WeakPolarHBondContact O-CA 3.49Å; F451-Y454 WeakPolarHBondContact O-CB 3.42Å; F451-Y454 PolarHBondContact O-N 3.11Å; F451-L455 HydrophobicContact CD1-CD1 3.93Å; F451-L455 HydrophobicContact CD1-CG 4.06Å; F451-L455 HydrophobicContact CE1-CD1 3.83Å; F451-L455 HydrophobicContact CE1-CD2 3.95Å; F451-L455 HydrophobicContact CE1-CG 3.94Å; F451-L455 HydrophobicContact CZ-CD2 4.13Å; F451-L455 HydrophobicContact CZ-CG 4.49Å; F451-L455 WeakPolarHBondContact O-CG 3.3Å; F451-L455 PolarHBondContact O-N 2.94Å; F451-L464 HydrophobicContact CE1-CD1 4.09Å; F451-L464 HydrophobicContact CZ-CD1 4.44Å
452	S	98.1	Very high	97.3	Very high	47 Å²	47	57 Å²	57	33%	0.329	28%	0.279	S	S	.	.	H	α-helix	trans	-55.5	-44.6	171.2	-179.7	0	0	0	0	111.9	N450 L455 S456	N450-S452 VanDerWaalsContact C-N 3.33Å; N450-S452 PolarHBondContact O-N 3.18Å; S452-L455 PolarHBondContact O-N 3.41Å; S452-S456 WeakPolarHBondContact O-CB 3.31Å; S452-S456 PolarHBondContact O-N 2.9Å; S452-S456 PolarHBondContact O-OG 3.41Å
453	W	98.4	Very high	97.2	Very high	60 Å²	60	55.8 Å²	55.8	23%	0.227	27%	0.272	C	S	.	.	H	α-helix	trans	-62.4	-42.8	173.9	177.4	89.4	0	0	0	111.5	W361 K449 N450 F451 S456 N457 V458	W361-W453 WeakPolarHBondContact O-CZ3 3.47Å; K449-W453 HydrophobicContact CB-CB 4.06Å; K449-W453 HydrophobicContact CB-CD2 3.78Å; K449-W453 HydrophobicContact CB-CE3 3.67Å; K449-W453 HydrophobicContact CB-CG 3.91Å; K449-W453 HydrophobicContact CB-CZ3 4.43Å; K449-W453 HydrophobicContact CD-CD2 3.16Å; K449-W453 HydrophobicContact CD-CE3 3.53Å; K449-W453 HydrophobicContact CD-CG 3.63Å; K449-W453 HydrophobicContact CD-CH2 3.89Å; K449-W453 HydrophobicContact CD-CZ2 3.57Å; K449-W453 HydrophobicContact CD-CZ3 3.88Å; K449-W453 HydrophobicContact CG-CD2 4.1Å; K449-W453 HydrophobicContact CG-CE3 4.2Å; K449-W453 HydrophobicContact CG-CG 4.37Å; K449-W453 VanDerWaalsContact NZ-CE2 3.32Å; N450-W453 WeakPolarHBondContact O-CB 3.45Å; N450-W453 PolarHBondContact O-N 3.04Å; N450-W453 VanDerWaalsContact OD1-CB 3.28Å; N450-W453 WeakPolarHBondContact OD1-CB 3.35Å; N450-W453 PolarHBondContact OD1-N 2.82Å; F451-W453 VanDerWaalsContact C-N 3.29Å; F451-W453 PolarHBondContact O-N 2.76Å; W453-S456 PolarHBondContact O-N 3.1Å; W453-N457 HydrophobicContact CD2-CB 4.22Å; W453-N457 HydrophobicContact CH2-CB 4.4Å; W453-N457 HydrophobicContact CZ2-CB 3.84Å; W453-N457 VanDerWaalsContact NE1-CG 3.29Å; W453-N457 PolarHBondContact NE1-ND2 3.43Å; W453-N457 VanDerWaalsContact NE1-ND2 3.18Å; W453-N457 PolarHBondContact NE1-OD1 3.02Å; W453-N457 VanDerWaalsContact O-CB 3.3Å; W453-N457 WeakPolarHBondContact O-CB 3.41Å; W453-N457 PolarHBondContact O-N 2.8Å; W453-N457 PolarHBondContact O-ND2 2.03Å; W453-V458 HydrophobicContact CH2-CG2 4.3Å; W453-V458 HydrophobicContact CZ3-CG2 4.08Å
454	Y	98.7	Very high	97.1	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-57.7	-50.4	176.6	169.9	-92.2	0	0	0	111.2	F292 P322 F358 W361 N450 F451 S456 N457 V458 W459	F292-Y454 HydrophobicContact CE1-CE1 4.15Å; F292-Y454 HydrophobicContact CZ-CE1 4.41Å; P322-Y454 VanDerWaalsContact C-OH 3.27Å; P322-Y454 WeakPolarHBondContact CB-OH 3.24Å; P322-Y454 PolarHBondContact O-OH 3.15Å; F358-Y454 HydrophobicContact CD1-CE1 4.15Å; F358-Y454 HydrophobicContact CD1-CE2 4.14Å; F358-Y454 AromaticContact CD1-CZ 3.79Å; F358-Y454 HydrophobicContact CE1-CE1 4.03Å; F358-Y454 AromaticContact CE1-CZ 3.91Å; W361-Y454 HydrophobicContact CB-CD2 3.75Å; W361-Y454 HydrophobicContact CB-CE2 3.91Å; W361-Y454 AromaticContact CD1-CE2 3.83Å; W361-Y454 HydrophobicContact CG-CD2 4.27Å; W361-Y454 HydrophobicContact CG-CE2 4.03Å; N450-Y454 PolarHBondContact O-N 3.3Å; F451-Y454 AromaticContact CD2-CD1 3.98Å; F451-Y454 HydrophobicContact CD2-CD1 3.98Å; F451-Y454 HydrophobicContact CD2-CG 4.4Å; F451-Y454 AromaticContact CE2-CD1 3.69Å; F451-Y454 HydrophobicContact CE2-CD1 3.69Å; F451-Y454 HydrophobicContact CE2-CE1 4.04Å; F451-Y454 HydrophobicContact CE2-CG 4.46Å; F451-Y454 HydrophobicContact CZ-CD1 4.26Å; F451-Y454 HydrophobicContact CZ-CE1 4.46Å; F451-Y454 WeakPolarHBondContact O-CA 3.49Å; F451-Y454 WeakPolarHBondContact O-CB 3.42Å; F451-Y454 PolarHBondContact O-N 3.11Å; Y454-S456 VanDerWaalsContact C-N 3.34Å; Y454-S456 PolarHBondContact O-N 3.08Å; Y454-N457 PolarHBondContact O-N 2.87Å; Y454-V458 HydrophobicContact CD2-CB 3.87Å; Y454-V458 HydrophobicContact CD2-CG1 4.13Å; Y454-V458 HydrophobicContact CD2-CG2 3.89Å; Y454-V458 HydrophobicContact CE2-CB 3.96Å; Y454-V458 HydrophobicContact CE2-CG1 3.72Å; Y454-V458 HydrophobicContact CE2-CG2 4.33Å; Y454-V458 HydrophobicContact CG-CB 4.42Å; Y454-V458 WeakPolarHBondContact O-CA 3.49Å; Y454-V458 WeakPolarHBondContact O-CB 3.31Å; Y454-V458 PolarHBondContact O-N 2.77Å; Y454-W459 PolarHBondContact O-N 3.34Å
455	L	97.7	Very high	97.1	Very high	3 Å²	3	46.4 Å²	46.4	2%	0.016	24%	0.237	C	C	.	.	H	α-helix	trans	-60.4	-43.9	177.7	-64.3	-179.3	0	0	0	111.6	W411 F451 S452 N457 W459 P460 H462 L464	W411-L455 HydrophobicContact CD2-CD1 4.1Å; W411-L455 HydrophobicContact CG-CD1 4.37Å; W411-L455 HydrophobicContact CZ2-CD1 4Å; F451-L455 HydrophobicContact CD1-CD1 3.93Å; F451-L455 HydrophobicContact CD1-CG 4.06Å; F451-L455 HydrophobicContact CE1-CD1 3.83Å; F451-L455 HydrophobicContact CE1-CD2 3.95Å; F451-L455 HydrophobicContact CE1-CG 3.94Å; F451-L455 HydrophobicContact CZ-CD2 4.13Å; F451-L455 HydrophobicContact CZ-CG 4.49Å; F451-L455 WeakPolarHBondContact O-CG 3.3Å; F451-L455 PolarHBondContact O-N 2.94Å; S452-L455 PolarHBondContact O-N 3.41Å; L455-N457 PolarHBondContact O-N 3.48Å; L455-W459 HydrophobicContact CD2-CE3 4.37Å; L455-W459 CarbonylContact O-C 3.51Å; L455-W459 PolarHBondContact O-N 2.83Å; L455-P460 VanDerWaalsContact O-CA 3.23Å; L455-P460 WeakPolarHBondContact O-CA 3.21Å; L455-H462 HydrophobicContact CD2-CB 4.18Å; L455-L464 HydrophobicContact CD1-CB 4.39Å; L455-L464 HydrophobicContact CD1-CD1 4.07Å; L455-L464 HydrophobicContact CD2-CD1 3.77Å
456	S	96.7	Very high	96.9	Very high	77 Å²	77	40.4 Å²	40.4	54%	0.538	21%	0.214	S	C	.	.	H	α-helix	trans	-71.3	-28.1	-177.2	-57	0	0	0	0	114.4	S452 W453 Y454	S452-S456 WeakPolarHBondContact O-CB 3.31Å; S452-S456 PolarHBondContact O-N 2.9Å; S452-S456 PolarHBondContact O-OG 3.41Å; W453-S456 PolarHBondContact O-N 3.1Å; Y454-S456 VanDerWaalsContact C-N 3.34Å; Y454-S456 PolarHBondContact O-N 3.08Å
457	N	97.3	Very high	96.7	Very high	96 Å²	96	44.4 Å²	44.4	51%	0.513	24%	0.235	S	C	.	.	H	α-helix	trans	-115.2	-23.4	-169.2	-66.6	-102.4	0	0	0	113.9	W453 Y454 L455	W453-N457 HydrophobicContact CD2-CB 4.22Å; W453-N457 HydrophobicContact CH2-CB 4.4Å; W453-N457 HydrophobicContact CZ2-CB 3.84Å; W453-N457 VanDerWaalsContact NE1-CG 3.29Å; W453-N457 PolarHBondContact NE1-ND2 3.43Å; W453-N457 VanDerWaalsContact NE1-ND2 3.18Å; W453-N457 PolarHBondContact NE1-OD1 3.02Å; W453-N457 VanDerWaalsContact O-CB 3.3Å; W453-N457 WeakPolarHBondContact O-CB 3.41Å; W453-N457 PolarHBondContact O-N 2.8Å; W453-N457 PolarHBondContact O-ND2 2.03Å; Y454-N457 PolarHBondContact O-N 2.87Å; L455-N457 PolarHBondContact O-N 3.48Å
458	V	97.7	Very high	96.6	Very high	14 Å²	14	40.8 Å²	40.8	9%	0.085	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-38.3	-175.7	-176.8	0	0	0	0	111.1	P322 W361 W453 Y454	P322-V458 HydrophobicContact CB-CG1 4.4Å; W361-V458 HydrophobicContact CB-CG2 4.05Å; W361-V458 HydrophobicContact CD2-CB 4.26Å; W361-V458 HydrophobicContact CD2-CG1 3.55Å; W361-V458 HydrophobicContact CD2-CG2 3.63Å; W361-V458 VanDerWaalsContact CE2-CG1 3.43Å; W361-V458 HydrophobicContact CE3-CG1 4.17Å; W361-V458 HydrophobicContact CE3-CG2 3.56Å; W361-V458 HydrophobicContact CG-CB 4.44Å; W361-V458 HydrophobicContact CG-CG1 3.75Å; W361-V458 HydrophobicContact CG-CG2 3.88Å; W361-V458 HydrophobicContact CZ2-CG1 3.97Å; W361-V458 HydrophobicContact CZ3-CG2 4.2Å; W453-V458 HydrophobicContact CH2-CG2 4.3Å; W453-V458 HydrophobicContact CZ3-CG2 4.08Å; Y454-V458 HydrophobicContact CD2-CB 3.87Å; Y454-V458 HydrophobicContact CD2-CG1 4.13Å; Y454-V458 HydrophobicContact CD2-CG2 3.89Å; Y454-V458 HydrophobicContact CE2-CB 3.96Å; Y454-V458 HydrophobicContact CE2-CG1 3.72Å; Y454-V458 HydrophobicContact CE2-CG2 4.33Å; Y454-V458 HydrophobicContact CG-CB 4.42Å; Y454-V458 WeakPolarHBondContact O-CA 3.49Å; Y454-V458 WeakPolarHBondContact O-CB 3.31Å; Y454-V458 PolarHBondContact O-N 2.77Å
459	W	96.3	Very high	96.4	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.008	22%	0.223	C	C	.	.			trans	-136.6	55.7	-175.1	-161.4	33.8	0	0	0	113.5	F292 Y301 P322 Y454 L455 E461 H462 F463	F292-W459 HydrophobicContact CD1-CE3 4.18Å; F292-W459 HydrophobicContact CD1-CH2 4.3Å; F292-W459 AromaticContact CD1-CZ3 3.67Å; F292-W459 HydrophobicContact CD1-CZ3 3.67Å; F292-W459 HydrophobicContact CD2-CZ3 4.19Å; F292-W459 AromaticContact CE1-CE3 3.49Å; F292-W459 HydrophobicContact CE1-CE3 3.49Å; F292-W459 VanDerWaalsContact CE1-CE3 3.49Å; F292-W459 HydrophobicContact CE1-CH2 4.33Å; F292-W459 AromaticContact CE1-CZ3 3.3Å; F292-W459 HydrophobicContact CE1-CZ3 3.3Å; F292-W459 AromaticContact CE2-CZ3 3.89Å; F292-W459 HydrophobicContact CE2-CZ3 3.89Å; F292-W459 HydrophobicContact CG-CZ3 4.09Å; F292-W459 AromaticContact CZ-CE3 3.77Å; F292-W459 HydrophobicContact CZ-CE3 3.77Å; F292-W459 AromaticContact CZ-CZ3 3.42Å; F292-W459 HydrophobicContact CZ-CZ3 3.42Å; F292-W459 VanDerWaalsContact CZ-CZ3 3.42Å; F292-W459 WeakPolarHBondContact O-CH2 3.23Å; Y301-W459 AromaticContact CD2-CZ2 3.97Å; Y301-W459 HydrophobicContact CD2-CZ2 3.97Å; Y301-W459 HydrophobicContact CE2-CH2 4.16Å; Y301-W459 AromaticContact CE2-CZ2 3.67Å; Y301-W459 HydrophobicContact CE2-CZ2 3.67Å; P322-W459 HydrophobicContact CB-CB 3.96Å; P322-W459 HydrophobicContact CB-CD2 4.23Å; P322-W459 HydrophobicContact CB-CG 3.82Å; P322-W459 HydrophobicContact CG-CB 3.85Å; P322-W459 HydrophobicContact CG-CD2 4.25Å; P322-W459 HydrophobicContact CG-CG 3.54Å; Y454-W459 PolarHBondContact O-N 3.34Å; L455-W459 HydrophobicContact CD2-CE3 4.37Å; L455-W459 CarbonylContact O-C 3.51Å; L455-W459 PolarHBondContact O-N 2.83Å; W459-E461 PolarHBondContact O-N 2.67Å; W459-H462 HydrophobicContact CD2-CB 3.76Å; W459-H462 HydrophobicContact CE3-CB 3.69Å; W459-H462 HydrophobicContact CG-CB 4.21Å; W459-H462 HydrophobicContact CH2-CB 4.45Å; W459-H462 HydrophobicContact CZ3-CB 4.05Å; W459-H462 WeakPolarHBondContact O-CB 3.41Å; W459-H462 PolarHBondContact O-CD2 3.35Å; W459-H462 PolarHBondContact O-N 3.12Å; W459-F463 HydrophobicContact CH2-CD1 4.16Å; W459-F463 AromaticContact CH2-CE1 3.54Å; W459-F463 HydrophobicContact CH2-CE1 3.54Å; W459-F463 HydrophobicContact CH2-CZ 4.12Å; W459-F463 HydrophobicContact CZ2-CD1 4.25Å; W459-F463 AromaticContact CZ2-CE1 3.74Å; W459-F463 HydrophobicContact CZ2-CE1 3.74Å
460	P	93.8	Very high	96.3	Very high	73 Å²	73	37.8 Å²	37.8	47%	0.474	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-25.8	-171.6	24.3	-32	0	0	0	114.1	L455 H462	L455-P460 VanDerWaalsContact O-CA 3.23Å; L455-P460 WeakPolarHBondContact O-CA 3.21Å; P460-H462 PolarHBondContact O-CD2 3.26Å; P460-H462 PolarHBondContact O-N 2.81Å
461	E	92.1	Very high	96.2	Very high	7 Å²	7	34.1 Å²	34.1	3%	0.033	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	2.9	172	57.9	-71.8	155.9	0	0	114.5	R289 P304 W459 K522 H526	R289-E461 IonicContact CZ-OE1 3.2Å; R289-E461 IonicContact NH1-OE1 3.19Å; R289-E461 PolarHBondContact NH1-OE1 2.72Å; R289-E461 IonicContact NH2-OE1 2.69Å; R289-E461 PolarHBondContact NH2-OE1 3.49Å; P304-E461 HydrophobicContact CB-CG 4.34Å; P304-E461 HydrophobicContact CG-CG 4.34Å; W459-E461 PolarHBondContact O-N 2.67Å; E461-K522 PolarHBondContact O-NZ 3.27Å; E461-K522 VanDerWaalsContact O-NZ 3.1Å; E461-H526 PolarHBondContact O-CE1 3.43Å
462	H	94.5	Very high	96.1	Very high	11 Å²	11	34.1 Å²	34.1	5%	0.051	19%	0.191	C	C	.	.			trans	-50.3	166.3	175.7	73.4	98.8	0	0	0	113.2	L455 W459 P460 L464 Y516 K522	L455-H462 HydrophobicContact CD2-CB 4.18Å; W459-H462 HydrophobicContact CD2-CB 3.76Å; W459-H462 HydrophobicContact CE3-CB 3.69Å; W459-H462 HydrophobicContact CG-CB 4.21Å; W459-H462 HydrophobicContact CH2-CB 4.45Å; W459-H462 HydrophobicContact CZ3-CB 4.05Å; W459-H462 WeakPolarHBondContact O-CB 3.41Å; W459-H462 PolarHBondContact O-CD2 3.35Å; W459-H462 PolarHBondContact O-N 3.12Å; P460-H462 PolarHBondContact O-CD2 3.26Å; P460-H462 PolarHBondContact O-N 2.81Å; H462-L464 PolarHBondContact CE1-O 3.37Å; H462-L464 WeakPolarHBondContact ND1-CB 3.37Å; H462-L464 PolarHBondContact ND1-N 3.03Å; H462-L464 VanDerWaalsContact ND1-N 3.11Å; H462-L464 PolarHBondContact ND1-O 3.27Å; H462-Y516 PolarHBondContact O-OH 3.48Å; H462-K522 PolarHBondContact O-NZ 3.31Å
463	F	95.2	Very high	96	Very high	2 Å²	2	35 Å²	35	1%	0.009	19%	0.187	C	C	.	.			trans	-125.1	37.2	-178.8	52.3	-83.4	0	0	0	110.6	F292 N293 W294 Y301 W459 Y516 K522 G523 D524 H526	F292-F463 WeakPolarHBondContact O-CZ 3.47Å; N293-F463 HydrophobicContact CB-CZ 4.5Å; W294-F463 AromaticContact CD1-CD2 3.78Å; W294-F463 AromaticContact CD1-CE2 3.65Å; W294-F463 AromaticContact CE2-CD2 3.92Å; W294-F463 HydrophobicContact CG-CE2 4.44Å; W294-F463 HydrophobicContact CZ2-CD2 4.39Å; W294-F463 AromaticContact NE1-CD2 3.24Å; W294-F463 AromaticContact NE1-CE2 3.62Å; W294-F463 PolarHBondContact NE1-O 3.46Å; Y301-F463 HydrophobicContact CE2-CE1 4.2Å; Y301-F463 AromaticContact CZ-CE1 3.88Å; Y301-F463 VanDerWaalsContact OH-CZ 3.27Å; Y301-F463 WeakPolarHBondContact OH-CZ 3.09Å; W459-F463 HydrophobicContact CH2-CD1 4.16Å; W459-F463 AromaticContact CH2-CE1 3.54Å; W459-F463 HydrophobicContact CH2-CE1 3.54Å; W459-F463 HydrophobicContact CH2-CZ 4.12Å; W459-F463 HydrophobicContact CZ2-CD1 4.25Å; W459-F463 AromaticContact CZ2-CE1 3.74Å; W459-F463 HydrophobicContact CZ2-CE1 3.74Å; F463-Y516 WeakPolarHBondContact CA-OH 3.5Å; F463-K522 HydrophobicContact CB-CB 3.81Å; F463-K522 HydrophobicContact CB-CD 3.77Å; F463-K522 HydrophobicContact CB-CG 4.45Å; F463-G523 VanDerWaalsContact CD2-O 3.26Å; F463-G523 WeakPolarHBondContact CD2-O 3.44Å; F463-D524 WeakPolarHBondContact CE2-OD1 3.44Å; F463-H526 HydrophobicContact CD1-CB 3.7Å; F463-H526 AromaticContact CD1-CG 3.93Å; F463-H526 AromaticContact CD1-ND1 3.51Å; F463-H526 HydrophobicContact CE1-CB 3.6Å; F463-H526 HydrophobicContact CZ-CB 4.41Å
464	L	96.8	Very high	95.9	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.016	18%	0.177	C	C	.	.	S	Bend	trans	-102.9	148.3	175.2	-68.1	160.7	0	0	0	109.5	F292 W294 V414 F451 L455 H462 Y516	F292-L464 HydrophobicContact CE2-CD1 4Å; F292-L464 HydrophobicContact CZ-CD1 4.18Å; W294-L464 HydrophobicContact CG-CD2 4.46Å; V414-L464 HydrophobicContact CG1-CD2 4.01Å; F451-L464 HydrophobicContact CE1-CD1 4.09Å; F451-L464 HydrophobicContact CZ-CD1 4.44Å; L455-L464 HydrophobicContact CD1-CB 4.39Å; L455-L464 HydrophobicContact CD1-CD1 4.07Å; L455-L464 HydrophobicContact CD2-CD1 3.77Å; H462-L464 PolarHBondContact CE1-O 3.37Å; H462-L464 WeakPolarHBondContact ND1-CB 3.37Å; H462-L464 PolarHBondContact ND1-N 3.03Å; H462-L464 VanDerWaalsContact ND1-N 3.11Å; H462-L464 PolarHBondContact ND1-O 3.27Å; L464-Y516 PolarHBondContact N-OH 3.47Å; L464-Y516 PolarHBondContact O-OH 3.18Å
465	P	96.6	Very high	95.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.181	C	C	.	.			trans	-62.4	148.6	-179.6	28.3	-36.5	0	0	0	112.5	W411 V414 S469 F471 V514 W607	W411-P465 PolarHBondContact NE1-O 2.9Å; V414-P465 HydrophobicContact CG2-CG 3.63Å; P465-S469 WeakPolarHBondContact CA-OG 3.43Å; P465-F471 HydrophobicContact CB-CB 3.94Å; P465-F471 HydrophobicContact CB-CD2 4.05Å; P465-F471 HydrophobicContact CB-CG 4.17Å; P465-F471 HydrophobicContact CG-CD2 4.03Å; P465-F471 HydrophobicContact CG-CE2 4.45Å; P465-F471 HydrophobicContact CG-CG 4.28Å; P465-V514 HydrophobicContact CB-CG2 4.37Å; P465-W607 HydrophobicContact CB-CD2 3.85Å; P465-W607 HydrophobicContact CB-CG 3.86Å; P465-W607 HydrophobicContact CB-CZ2 4.41Å; P465-W607 HydrophobicContact CG-CB 4.01Å; P465-W607 HydrophobicContact CG-CD2 3.51Å; P465-W607 HydrophobicContact CG-CE3 3.8Å; P465-W607 HydrophobicContact CG-CG 3.61Å; P465-W607 HydrophobicContact CG-CZ3 4.45Å
466	T	95.4	Very high	95.6	Very high	29 Å²	29	33 Å²	33	18%	0.178	18%	0.181	C	C	.	.			trans	-120.8	167.6	171.3	56	0	0	0	0	109.6	D468 S469 Y516	T466-D468 VanDerWaalsContact CB-OD1 3.27Å; T466-D468 WeakPolarHBondContact CB-OD1 3.36Å; T466-D468 PolarHBondContact O-N 3.34Å; T466-D468 PolarHBondContact OG1-OD1 2.88Å; T466-S469 PolarHBondContact N-OG 2.87Å; T466-S469 PolarHBondContact O-N 2.81Å; T466-S469 PolarHBondContact O-OG 2.79Å; T466-S469 WeakPolarHBondContact OG1-CB 3.2Å; T466-S469 PolarHBondContact OG1-OG 3.21Å; T466-Y516 HydrophobicContact CG2-CE1 4.14Å
467	D	93.8	Very high	95.2	Very high	122 Å²	122	32.5 Å²	32.5	65%	0.652	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-28.6	-177.7	-67.7	-10.9	0	0	0	114.1	K608	D467-K608 WeakPolarHBondContact OD1-CE 3.49Å; D467-K608 IonicContact OD1-NZ 3.12Å; D467-K608 PolarHBondContact OD1-NZ 3.46Å; D467-K608 IonicContact OD2-NZ 3.78Å
468	D	94.7	Very high	94.9	Very high	110 Å²	110	31.7 Å²	31.7	59%	0.588	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-3.2	179.3	62.5	-20.1	0	0	0	113.4	T466 P517	T466-D468 VanDerWaalsContact CB-OD1 3.27Å; T466-D468 WeakPolarHBondContact CB-OD1 3.36Å; T466-D468 PolarHBondContact O-N 3.34Å; T466-D468 PolarHBondContact OG1-OD1 2.88Å; D468-P517 HydrophobicContact CB-CG 4Å; D468-P517 WeakPolarHBondContact O-CG 3.14Å; D468-P517 WeakPolarHBondContact OD2-CG 3.21Å
469	S	96.1	Very high	94.5	Very high	14 Å²	14	35.6 Å²	35.6	10%	0.098	18%	0.183	C	C	.	.	S	Bend	trans	-92.7	148.5	177.1	74.2	0	0	0	0	111.6	P465 T466 I515	P465-S469 WeakPolarHBondContact CA-OG 3.43Å; T466-S469 PolarHBondContact N-OG 2.87Å; T466-S469 PolarHBondContact O-N 2.81Å; T466-S469 PolarHBondContact O-OG 2.79Å; T466-S469 WeakPolarHBondContact OG1-CB 3.2Å; T466-S469 PolarHBondContact OG1-OG 3.21Å; S469-I515 VanDerWaalsContact CA-O 3.32Å; S469-I515 WeakPolarHBondContact CA-O 3.34Å; S469-I515 WeakPolarHBondContact CB-O 3.28Å
470	F	96.7	Very high	94.3	Very high	41 Å²	41	40.7 Å²	40.7	18%	0.18	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	138.9	162.1	162.9	-83.2	0	0	0	109.6	V514 I515 L602 E603 P604	F470-V514 CarbonylContact O-C 3.5Å; F470-V514 VanDerWaalsContact O-CA 3.31Å; F470-V514 WeakPolarHBondContact O-CA 3.19Å; F470-I515 HydrophobicContact CB-CB 4.13Å; F470-I515 HydrophobicContact CD1-CB 4.14Å; F470-I515 HydrophobicContact CD1-CD1 3.51Å; F470-I515 HydrophobicContact CD1-CG1 3.83Å; F470-I515 HydrophobicContact CE1-CD1 3.95Å; F470-I515 HydrophobicContact CG-CD1 4.26Å; F470-I515 PolarHBondContact N-O 3.3Å; F470-I515 PolarHBondContact O-N 3.39Å; F470-L602 HydrophobicContact CD2-CB 4.14Å; F470-L602 HydrophobicContact CD2-CD1 4.42Å; F470-L602 HydrophobicContact CE1-CB 4.4Å; F470-L602 HydrophobicContact CE1-CD2 4.42Å; F470-L602 HydrophobicContact CE2-CB 3.58Å; F470-L602 HydrophobicContact CG-CD1 4.42Å; F470-L602 HydrophobicContact CZ-CB 3.72Å; F470-L602 HydrophobicContact CZ-CD2 4.47Å; F470-E603 WeakPolarHBondContact CZ-O 3.16Å; F470-P604 HydrophobicContact CD2-CB 4.38Å; F470-P604 HydrophobicContact CE2-CB 3.98Å
471	F	96.3	Very high	94.3	Very high	5 Å²	5	38.6 Å²	38.6	2%	0.022	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	127.2	167.8	-175.6	-105.8	0	0	0	109.3	W294 M417 P465 F512 W513 V514 P604 I605 W607	W294-F471 HydrophobicContact CH2-CE2 4.27Å; W294-F471 HydrophobicContact CZ2-CE2 4.41Å; M417-F471 HydrophobicContact CE-CE1 3.76Å; M417-F471 HydrophobicContact CE-CZ 4.37Å; P465-F471 HydrophobicContact CB-CB 3.94Å; P465-F471 HydrophobicContact CB-CD2 4.05Å; P465-F471 HydrophobicContact CB-CG 4.17Å; P465-F471 HydrophobicContact CG-CD2 4.03Å; P465-F471 HydrophobicContact CG-CE2 4.45Å; P465-F471 HydrophobicContact CG-CG 4.28Å; F471-F512 HydrophobicContact CE1-CD2 4.14Å; F471-F512 HydrophobicContact CE2-CB 4.13Å; F471-F512 HydrophobicContact CZ-CB 4.02Å; F471-F512 AromaticContact CZ-CD2 3.7Å; F471-F512 HydrophobicContact CZ-CD2 3.7Å; F471-F512 HydrophobicContact CZ-CG 4.17Å; F471-W513 WeakPolarHBondContact CA-O 3.33Å; F471-V514 HydrophobicContact CD2-CG2 3.78Å; F471-V514 HydrophobicContact CE2-CG2 4.22Å; F471-P604 WeakPolarHBondContact O-CA 3.48Å; F471-I605 HydrophobicContact CD1-CB 4.02Å; F471-I605 HydrophobicContact CD1-CG2 4.26Å; F471-I605 HydrophobicContact CE1-CB 4.31Å; F471-I605 HydrophobicContact CE1-CG2 4.17Å; F471-I605 PolarHBondContact O-N 3.34Å; F471-W607 HydrophobicContact CB-CB 4.43Å; F471-W607 HydrophobicContact CB-CG 4.38Å; F471-W607 HydrophobicContact CD1-CB 3.59Å; F471-W607 HydrophobicContact CD1-CG 4.4Å; F471-W607 HydrophobicContact CE1-CB 4Å; F471-W607 HydrophobicContact CG-CB 4.08Å; F471-W607 HydrophobicContact CG-CG 4.48Å
472	G	95.7	Very high	94.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.9	-157.8	-179.6	0	0	0	0	0	114	F512 W513 E603	G472-F512 CarbonylContact O-C 3.49Å; G472-F512 WeakPolarHBondContact O-CA 3.33Å; G472-W513 PolarHBondContact N-O 3.08Å; G472-W513 VanDerWaalsContact N-O 3.13Å; G472-W513 PolarHBondContact O-N 3.37Å; G472-E603 CarbonylContact C-O 3.58Å; G472-E603 WeakPolarHBondContact CA-O 3.45Å
473	R	95.9	Very high	94.5	Very high	66 Å²	66	37.8 Å²	37.8	25%	0.249	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	152	-178.1	-62.2	176.4	-62.3	-147.9	-4.6	111.5	T506 Q511 F512 E603 I605	R473-T506 PolarHBondContact NH1-O 3.09Å; R473-T506 VanDerWaalsContact NH1-O 3.1Å; R473-Q511 HydrophobicContact CG-CB 4.28Å; R473-F512 HydrophobicContact CG-CD1 3.98Å; R473-F512 HydrophobicContact CG-CE1 4.25Å; R473-E603 HydrophobicContact CB-CB 4.32Å; R473-E603 IonicContact CZ-OE2 3.25Å; R473-E603 PolarHBondContact N-O 2.91Å; R473-E603 IonicContact NE-OE2 3.35Å; R473-E603 PolarHBondContact NE-OE2 2.99Å; R473-E603 IonicContact NH2-OE2 2.76Å; R473-E603 PolarHBondContact NH2-OE2 2.72Å; R473-E603 PolarHBondContact O-N 3.13Å; R473-I605 HydrophobicContact CG-CD1 4.34Å
474	I	96.6	Very high	94.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	101.9	172.5	-54.6	173.9	0	0	0	107.4	C482 L483 W513 I515 F521 L562 W600 L602	I474-C482 CarbonylContact O-C 3.59Å; I474-C482 WeakPolarHBondContact O-CA 3.11Å; I474-L483 HydrophobicContact CB-CB 3.97Å; I474-L483 HydrophobicContact CD1-CD2 4.01Å; I474-L483 HydrophobicContact CG2-CB 4.43Å; I474-L483 PolarHBondContact O-N 2.86Å; I474-W513 HydrophobicContact CD1-CB 3.97Å; I474-W513 HydrophobicContact CD1-CD2 3.89Å; I474-W513 HydrophobicContact CD1-CG 3.57Å; I474-W513 HydrophobicContact CG1-CB 4.24Å; I474-W513 HydrophobicContact CG1-CG 3.97Å; I474-I515 HydrophobicContact CD1-CD1 4.37Å; I474-F521 HydrophobicContact CD1-CD1 3.62Å; I474-F521 HydrophobicContact CD1-CE1 3.79Å; I474-L562 HydrophobicContact CG2-CD1 3.83Å; I474-W600 HydrophobicContact CG2-CB 4.1Å; I474-W600 HydrophobicContact CG2-CD2 4.45Å; I474-W600 HydrophobicContact CG2-CE3 3.88Å; I474-L602 HydrophobicContact CB-CD2 4.44Å; I474-L602 HydrophobicContact CG1-CD2 3.86Å; I474-L602 HydrophobicContact CG2-CD2 4.26Å
475	H	95.8	Very high	94.3	Very high	22 Å²	22	39 Å²	39	10%	0.102	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	120.6	-170.8	172.7	-164.2	0	0	0	111.7	T477 N480 W600 L601 E603	H475-T477 PolarHBondContact O-N 3.14Å; H475-N480 PolarHBondContact CE1-OD1 3.49Å; H475-N480 WeakPolarHBondContact NE2-CA 3.2Å; H475-N480 PolarHBondContact NE2-OD1 3.07Å; H475-N480 VanDerWaalsContact NE2-OD1 3.15Å; H475-W600 CarbonylContact O-C 3.51Å; H475-W600 WeakPolarHBondContact O-CA 3.27Å; H475-L601 PolarHBondContact N-O 3.15Å; H475-L601 PolarHBondContact O-N 2.99Å; H475-E603 HydrophobicContact CB-CG 4.07Å; H475-E603 IonicContact CE1-OE1 2.76Å; H475-E603 IonicContact CG-OE1 2.64Å; H475-E603 IonicContact ND1-OE1 2.95Å; H475-E603 PolarHBondContact ND1-OE1 3.36Å
476	H	94	Very high	94.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	105.3	170.4	-168.4	-101.4	0	0	0	112.5	L478 Y479 N480 K481 G597 W600	H476-L478 PolarHBondContact O-N 3.34Å; H476-Y479 AromaticContact CE1-CD2 3.26Å; H476-Y479 WeakPolarHBondContact CE1-CD2 3.29Å; H476-Y479 AromaticContact CE1-CE2 3.85Å; H476-Y479 AromaticContact ND1-CD2 3.38Å; H476-Y479 WeakPolarHBondContact ND1-CD2 3.27Å; H476-Y479 AromaticContact ND1-CG 3.99Å; H476-Y479 PolarHBondContact O-N 2.97Å; H476-N480 PolarHBondContact O-N 3.33Å; H476-K481 WeakPolarHBondContact CA-O 3.34Å; H476-K481 VanDerWaalsContact CB-O 3.28Å; H476-K481 WeakPolarHBondContact CB-O 3.47Å; H476-K481 PolarHBondContact N-O 3.36Å; H476-K481 PolarHBondContact O-N 3.18Å; H476-G597 PolarHBondContact NE2-O 3.25Å; H476-W600 HydrophobicContact CB-CD2 4.35Å; H476-W600 HydrophobicContact CB-CE3 3.71Å; H476-W600 HydrophobicContact CB-CH2 3.99Å; H476-W600 HydrophobicContact CB-CZ3 3.55Å; H476-W600 AromaticContact CD2-CD2 3.82Å; H476-W600 AromaticContact CD2-CE2 3.56Å; H476-W600 AromaticContact CD2-CH2 3.86Å; H476-W600 AromaticContact CD2-CZ2 3.58Å
477	T	88.5	Confident	93.7	Very high	65 Å²	65	44.4 Å²	44.4	40%	0.399	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-36.1	-170.2	56.8	0	0	0	0	115.2	H475 Q599 L601	H475-T477 PolarHBondContact O-N 3.14Å; T477-Q599 PolarHBondContact N-O 3.07Å; T477-Q599 WeakPolarHBondContact OG1-CB 3.44Å; T477-Q599 PolarHBondContact OG1-O 2.96Å; T477-L601 HydrophobicContact CG2-CB 4.06Å
478	L	90.1	Very high	93.1	Very high	80 Å²	80	39.6 Å²	39.6	42%	0.419	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-34	-176	174.5	65.5	0	0	0	113.2	H476 K596	H476-L478 PolarHBondContact O-N 3.34Å; L478-K596 HydrophobicContact CB-CB 4.35Å; L478-K596 HydrophobicContact CD1-CB 4.26Å; L478-K596 HydrophobicContact CD1-CD 4.29Å; L478-K596 HydrophobicContact CD2-CB 4.06Å; L478-K596 HydrophobicContact CG-CB 4.47Å
479	Y	90.2	Very high	92.1	Very high	96 Å²	96	41.2 Å²	41.2	38%	0.376	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112	0.1	-173.6	-66	-65	0	0	0	113.3	H476 K481 M577	H476-Y479 AromaticContact CE1-CD2 3.26Å; H476-Y479 WeakPolarHBondContact CE1-CD2 3.29Å; H476-Y479 AromaticContact CE1-CE2 3.85Å; H476-Y479 AromaticContact ND1-CD2 3.38Å; H476-Y479 WeakPolarHBondContact ND1-CD2 3.27Å; H476-Y479 AromaticContact ND1-CG 3.99Å; H476-Y479 PolarHBondContact O-N 2.97Å; Y479-K481 VanDerWaalsContact C-N 3.25Å; Y479-K481 PolarHBondContact O-N 3.49Å; Y479-M577 HydrophobicContact CD1-CB 4.42Å; Y479-M577 HydrophobicContact CD1-CG 3.87Å; Y479-M577 HydrophobicContact CD2-CB 4.42Å; Y479-M577 HydrophobicContact CD2-CE 3.3Å; Y479-M577 HydrophobicContact CD2-CG 3.77Å; Y479-M577 HydrophobicContact CD2-SD 4.18Å; Y479-M577 HydrophobicContact CE1-CB 4.24Å; Y479-M577 HydrophobicContact CE1-CG 4.2Å; Y479-M577 HydrophobicContact CE2-CB 4.29Å; Y479-M577 HydrophobicContact CE2-CE 3.6Å; Y479-M577 HydrophobicContact CE2-CG 4.14Å; Y479-M577 HydrophobicContact CG-CE 4.09Å; Y479-M577 HydrophobicContact CG-CG 3.66Å; Y479-M577 HydrophobicContact CG-SD 4.41Å
480	N	91.4	Very high	90.5	Very high	109 Å²	109	41.4 Å²	41.4	58%	0.583	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.3	43.7	-176.4	-164.2	44.1	0	0	0	113	H475 H476	H475-N480 PolarHBondContact CE1-OD1 3.49Å; H475-N480 WeakPolarHBondContact NE2-CA 3.2Å; H475-N480 PolarHBondContact NE2-OD1 3.07Å; H475-N480 VanDerWaalsContact NE2-OD1 3.15Å; H476-N480 PolarHBondContact O-N 3.33Å
481	K	93.7	Very high	88.6	Confident	29 Å²	29	42.7 Å²	42.7	13%	0.126	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	147.1	-179.5	-67.9	-159.1	-168.9	178.6	0	110.4	H476 Y479 A502 E503 M577 H584	H476-K481 WeakPolarHBondContact CA-O 3.34Å; H476-K481 VanDerWaalsContact CB-O 3.28Å; H476-K481 WeakPolarHBondContact CB-O 3.47Å; H476-K481 PolarHBondContact N-O 3.36Å; H476-K481 PolarHBondContact O-N 3.18Å; Y479-K481 VanDerWaalsContact C-N 3.25Å; Y479-K481 PolarHBondContact O-N 3.49Å; K481-A502 HydrophobicContact CB-CB 4.18Å; K481-A502 HydrophobicContact CD-CB 4.31Å; K481-A502 VanDerWaalsContact CD-O 3.22Å; K481-A502 WeakPolarHBondContact CD-O 3.37Å; K481-E503 CarbonylContact C-O 3.59Å; K481-E503 WeakPolarHBondContact CA-O 3.35Å; K481-E503 WeakPolarHBondContact CB-O 3.29Å; K481-M577 HydrophobicContact CD-CG 4.42Å; K481-M577 HydrophobicContact CD-SD 3.85Å; K481-M577 PolarHBondContact NZ-O 3.46Å; K481-H584 PolarHBondContact NZ-CD2 2.92Å; K481-H584 PolarHBondContact NZ-NE2 2.89Å
482	C	95.4	Very high	86.5	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	146.4	179.9	-74.8	0	0	0	0	110.5	I474 Q484 E503 C505 Q511	I474-C482 CarbonylContact O-C 3.59Å; I474-C482 WeakPolarHBondContact O-CA 3.11Å; C482-Q484 PolarHBondContact O-N 2.91Å; C482-E503 PolarHBondContact N-O 3.32Å; C482-E503 PolarHBondContact O-N 3.4Å; C482-C505 HydrophobicContact CB-CB 4.01Å; C482-C505 WeakPolarHBondContact CB-SG 3.34Å; C482-C505 PolarHBondContact N-SG 3.31Å; C482-C505 WeakPolarHBondContact SG-CB 3.22Å; C482-C505 CovalentContact SG-SG 2.05Å; C482-C505 PolarHBondContact SG-SG 3.1Å; C482-Q511 HydrophobicContact CB-CB 4.49Å; C482-Q511 HydrophobicContact CB-CG 4.46Å
483	L	95.5	Very high	84.2	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	122.5	175.2	-159.2	70.2	0	0	0	109.7	I474 V500 W513 L529 P586 W600	I474-L483 HydrophobicContact CB-CB 3.97Å; I474-L483 HydrophobicContact CD1-CD2 4.01Å; I474-L483 HydrophobicContact CG2-CB 4.43Å; I474-L483 PolarHBondContact O-N 2.86Å; L483-V500 HydrophobicContact CD1-CG2 3.26Å; L483-V500 HydrophobicContact CD2-CG2 3.92Å; L483-V500 HydrophobicContact CG-CG2 3.4Å; L483-V500 VanDerWaalsContact CG-CG2 3.4Å; L483-W513 HydrophobicContact CB-CZ2 4.25Å; L483-W513 HydrophobicContact CD2-CH2 4.09Å; L483-W513 HydrophobicContact CD2-CZ2 3.54Å; L483-W513 HydrophobicContact CG-CZ2 3.68Å; L483-W513 PolarHBondContact O-NE1 3.27Å; L483-L529 HydrophobicContact CD2-CD1 4.42Å; L483-L529 HydrophobicContact CD2-CD2 3.79Å; L483-P586 HydrophobicContact CD1-CG 3.7Å; L483-W600 HydrophobicContact CD1-CH2 4.33Å; L483-W600 HydrophobicContact CD1-CZ3 4.24Å
484	Q	95	Very high	81.9	Confident	22 Å²	22	59.7 Å²	59.7	10%	0.103	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	142.6	-173.2	-169.2	174.2	-68.8	0	0	112	C482 V486 V500 S501 E503 Q510 Q511	C482-Q484 PolarHBondContact O-N 2.91Å; Q484-V486 HydrophobicContact CB-CG1 4.44Å; Q484-V486 HydrophobicContact CG-CG1 4.29Å; Q484-V486 PolarHBondContact O-N 2.91Å; Q484-V500 WeakPolarHBondContact O-CA 3.17Å; Q484-S501 PolarHBondContact N-O 3.39Å; Q484-S501 PolarHBondContact O-N 3.26Å; Q484-E503 HydrophobicContact CB-CB 4.01Å; Q484-E503 HydrophobicContact CB-CG 3.77Å; Q484-E503 HydrophobicContact CG-CG 4.33Å; Q484-Q510 WeakPolarHBondContact CA-O 3.46Å; Q484-Q510 HydrophobicContact CG-CB 3.89Å; Q484-Q511 HydrophobicContact CB-CG 3.92Å; Q484-Q511 HydrophobicContact CG-CG 3.75Å; Q484-Q511 VanDerWaalsContact OE1-CG 3.24Å
485	L	93.8	Very high	80.2	Confident	8 Å²	8	67.1 Å²	67.1	4%	0.042	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	114	163.9	-77.6	67.8	0	0	0	109.2	I498 Q510 W513 D524 Q527 L543	L485-I498 HydrophobicContact CB-CG2 4.08Å; L485-I498 HydrophobicContact CD2-CG2 4.29Å; L485-I498 HydrophobicContact CG-CG2 4.2Å; L485-Q510 HydrophobicContact CB-CB 4.37Å; L485-Q510 PolarHBondContact N-O 2.82Å; L485-W513 HydrophobicContact CD1-CH2 3.59Å; L485-W513 HydrophobicContact CD1-CZ2 3.47Å; L485-W513 VanDerWaalsContact CD1-CZ2 3.47Å; L485-W513 HydrophobicContact CD1-CZ3 4.22Å; L485-D524 WeakPolarHBondContact CD2-O 3.13Å; L485-Q527 HydrophobicContact CD2-CB 4.06Å; L485-Q527 HydrophobicContact CD2-CG 4.16Å; L485-L543 HydrophobicContact CD1-CD1 4.24Å; L485-L543 HydrophobicContact CG-CD1 3.74Å
486	V	91.4	Very high	78.9	Confident	17 Å²	17	69.6 Å²	69.6	10%	0.103	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	138.3	177.7	-63.2	0	0	0	0	111.1	Q484 V488 I498 R499 E503 V583	Q484-V486 HydrophobicContact CB-CG1 4.44Å; Q484-V486 HydrophobicContact CG-CG1 4.29Å; Q484-V486 PolarHBondContact O-N 2.91Å; V486-V488 HydrophobicContact CG2-CG1 4.3Å; V486-I498 CarbonylContact O-C 3.02Å; V486-I498 WeakPolarHBondContact O-CA 3.42Å; V486-R499 HydrophobicContact CG2-CB 4.14Å; V486-R499 WeakPolarHBondContact CG2-O 3.45Å; V486-R499 PolarHBondContact N-O 2.61Å; V486-R499 PolarHBondContact O-N 3.12Å; V486-E503 HydrophobicContact CG1-CG 4Å; V486-V583 HydrophobicContact CG2-CG1 4.18Å
487	R	86.4	Confident	78.2	Confident	126 Å²	126	73.8 Å²	73.8	48%	0.475	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	121.4	174.3	-76.1	-177.5	-173.2	-102.5	1.4	109.3	T496 E497 I498 E525	R487-T496 HydrophobicContact CB-CG2 3.62Å; R487-T496 HydrophobicContact CG-CG2 4.06Å; R487-E497 WeakPolarHBondContact CA-O 3.46Å; R487-I498 HydrophobicContact CG-CG1 4.26Å; R487-E525 IonicContact NH2-OE1 3.13Å; R487-E525 PolarHBondContact NH2-OE1 3.33Å; R487-E525 VanDerWaalsContact NH2-OE1 3.13Å
488	V	82.2	Confident	78.2	Confident	22 Å²	22	71.9 Å²	71.9	13%	0.133	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	142.8	178.1	-59.8	0	0	0	0	110.8	V486 A490 T496 E497 R499 V583	V486-V488 HydrophobicContact CG2-CG1 4.3Å; V488-A490 PolarHBondContact O-N 3.3Å; V488-T496 CarbonylContact O-C 3.56Å; V488-T496 VanDerWaalsContact O-CA 3.32Å; V488-T496 WeakPolarHBondContact O-CA 3.11Å; V488-E497 HydrophobicContact CG2-CB 4.01Å; V488-E497 PolarHBondContact N-O 3.05Å; V488-E497 PolarHBondContact O-N 3.43Å; V488-R499 HydrophobicContact CG2-CG 3.85Å; V488-V583 HydrophobicContact CG1-CG2 3.62Å
489	N	73.2	Confident	78.2	Confident	143 Å²	143	73 Å²	73	77%	0.765	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.2	119.3	168.3	-68.5	-31.1	0	0	0	108.3
490	A	62.6	Low	78.3	Confident	19 Å²	19	68.4 Å²	68.4	16%	0.157	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-64.9	146.5	176.1	0	0	0	0	0	110.5	V488 K494 R495	V488-A490 PolarHBondContact O-N 3.3Å; A490-K494 HydrophobicContact CB-CB 3.61Å; A490-R495 WeakPolarHBondContact CB-O 3.42Å; A490-R495 PolarHBondContact N-O 3.2Å
491	A	56.4	Low	78.4	Confident	67 Å²	67	63.2 Å²	63.2	55%	0.554	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	145	176.7	0	0	0	0	0	111.4
492	F	53.9	Low	78.4	Confident	204 Å²	204	61.9 Å²	61.9	90%	0.895	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	33.5	177.4	-48.5	-81.6	0	0	0	116.6	K494	F492-K494 PolarHBondContact O-N 2.92Å
493	G	45.9	Very low	78.3	Confident	85 Å²	85	64 Å²	64	88%	0.876	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	24.3	176.5	0	0	0	0	0	113.3
494	K	48.7	Very low	78.1	Confident	140 Å²	140	67.8 Å²	67.8	61%	0.609	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-80.6	164.7	172.6	-73.9	-176.4	178	-174.2	0	110.4	A490 F492	A490-K494 HydrophobicContact CB-CB 3.61Å; F492-K494 PolarHBondContact O-N 2.92Å
495	R	59.5	Low	78	Confident	155 Å²	155	68.6 Å²	68.6	59%	0.585	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-46.8	151.1	178.6	-70	176.5	175.8	-172.1	-8.8	112.6	V57 A490 E497	V57-R495 VanDerWaalsContact C-NH2 3.32Å; V57-R495 VanDerWaalsContact N-NH2 3.15Å; V57-R495 PolarHBondContact O-NH2 2.91Å; A490-R495 WeakPolarHBondContact CB-O 3.42Å; A490-R495 PolarHBondContact N-O 3.2Å; R495-E497 PolarHBondContact O-N 3.4Å
496	T	68.8	Low	77.9	Confident	75 Å²	75	71.2 Å²	71.2	46%	0.46	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	125.9	167.4	-48.5	0	0	0	0	109.9	R487 V488	R487-T496 HydrophobicContact CB-CG2 3.62Å; R487-T496 HydrophobicContact CG-CG2 4.06Å; V488-T496 CarbonylContact O-C 3.56Å; V488-T496 VanDerWaalsContact O-CA 3.32Å; V488-T496 WeakPolarHBondContact O-CA 3.11Å
497	E	80.7	Confident	77.6	Confident	87 Å²	87	74.8 Å²	74.8	41%	0.407	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	146.2	176	-178.9	-178.8	-151.6	0	0	109.3	R487 V488 R495 R499	R487-E497 WeakPolarHBondContact CA-O 3.46Å; V488-E497 HydrophobicContact CG2-CB 4.01Å; V488-E497 PolarHBondContact N-O 3.05Å; V488-E497 PolarHBondContact O-N 3.43Å; R495-E497 PolarHBondContact O-N 3.4Å; E497-R499 HydrophobicContact CG-CG 4.26Å; E497-R499 IonicContact OE2-CZ 3.92Å; E497-R499 VanDerWaalsContact OE2-CZ 3.28Å; E497-R499 IonicContact OE2-NE 3.29Å; E497-R499 PolarHBondContact OE2-NE 2.63Å; E497-R499 IonicContact OE2-NH2 3.77Å; E497-R499 PolarHBondContact OE2-NH2 2.84Å
498	I	87.5	Confident	77.7	Confident	26 Å²	26	71.1 Å²	71.1	13%	0.133	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	126.4	172.1	-57.5	175.4	0	0	0	107.9	L485 V486 R487 E525 Q527 L543	L485-I498 HydrophobicContact CB-CG2 4.08Å; L485-I498 HydrophobicContact CD2-CG2 4.29Å; L485-I498 HydrophobicContact CG-CG2 4.2Å; V486-I498 CarbonylContact O-C 3.02Å; V486-I498 WeakPolarHBondContact O-CA 3.42Å; R487-I498 HydrophobicContact CG-CG1 4.26Å; I498-E525 HydrophobicContact CD1-CB 4.05Å; I498-E525 HydrophobicContact CD1-CG 4.21Å; I498-Q527 HydrophobicContact CB-CG 4.5Å; I498-Q527 HydrophobicContact CD1-CG 4.1Å; I498-Q527 HydrophobicContact CG2-CG 4.17Å; I498-L543 HydrophobicContact CG2-CD1 4.12Å
499	R	90.1	Very high	78.1	Confident	102 Å²	102	72.3 Å²	72.3	39%	0.385	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	163.5	176.8	-66.9	-170.7	-176.5	173	2.4	110.5	V486 V488 E497	V486-R499 HydrophobicContact CG2-CB 4.14Å; V486-R499 WeakPolarHBondContact CG2-O 3.45Å; V486-R499 PolarHBondContact N-O 2.61Å; V486-R499 PolarHBondContact O-N 3.12Å; V488-R499 HydrophobicContact CG2-CG 3.85Å; E497-R499 HydrophobicContact CG-CG 4.26Å; E497-R499 IonicContact OE2-CZ 3.92Å; E497-R499 VanDerWaalsContact OE2-CZ 3.28Å; E497-R499 IonicContact OE2-NE 3.29Å; E497-R499 PolarHBondContact OE2-NE 2.63Å; E497-R499 IonicContact OE2-NH2 3.77Å; E497-R499 PolarHBondContact OE2-NH2 2.84Å
500	V	92.8	Very high	79	Confident	1 Å²	1	67.7 Å²	67.7	1%	0.006	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	136.9	172.3	64.8	0	0	0	0	109.7	L483 Q484 W513 L529 V541 L543 L585	L483-V500 HydrophobicContact CD1-CG2 3.26Å; L483-V500 HydrophobicContact CD2-CG2 3.92Å; L483-V500 HydrophobicContact CG-CG2 3.4Å; L483-V500 VanDerWaalsContact CG-CG2 3.4Å; Q484-V500 WeakPolarHBondContact O-CA 3.17Å; V500-W513 HydrophobicContact CG2-CH2 4.41Å; V500-W513 HydrophobicContact CG2-CZ2 4.26Å; V500-L529 HydrophobicContact CB-CD1 4.29Å; V500-L529 HydrophobicContact CG1-CD1 4.05Å; V500-L529 HydrophobicContact CG2-CD1 4.15Å; V500-V541 HydrophobicContact CG1-CG1 3.9Å; V500-L543 HydrophobicContact CB-CD1 3.76Å; V500-L543 HydrophobicContact CB-CG 3.92Å; V500-L585 HydrophobicContact CG1-CD1 3.57Å; V500-L585 WeakPolarHBondContact O-CD1 3.41Å
501	S	93.5	Very high	80.6	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	147.6	177.2	-165.1	0	0	0	0	110.3	Q484 E503 H584	Q484-S501 PolarHBondContact N-O 3.39Å; Q484-S501 PolarHBondContact O-N 3.26Å; S501-E503 WeakPolarHBondContact CB-OE1 3.48Å; S501-E503 PolarHBondContact OG-OE1 3.49Å; S501-H584 WeakPolarHBondContact CA-O 3.46Å; S501-H584 PolarHBondContact OG-N 2.77Å
502	A	93.3	Very high	82.4	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	109.1	164.7	0	0	0	0	0	109.2	K481 P574 M577 H584	K481-A502 HydrophobicContact CB-CB 4.18Å; K481-A502 HydrophobicContact CD-CB 4.31Å; K481-A502 VanDerWaalsContact CD-O 3.22Å; K481-A502 WeakPolarHBondContact CD-O 3.37Å; A502-P574 HydrophobicContact CB-CG 4.18Å; A502-M577 HydrophobicContact CB-SD 4.23Å; A502-H584 HydrophobicContact CB-CB 4.21Å; A502-H584 PolarHBondContact N-O 2.8Å; A502-H584 WeakPolarHBondContact O-CB 3.39Å; A502-H584 PolarHBondContact O-CD2 2.87Å
503	E	93.1	Very high	84.5	Confident	46 Å²	46	54.1 Å²	54.1	22%	0.215	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	159.3	-176.2	-64.4	-58.2	151.6	0	0	111.1	K481 C482 Q484 V486 S501 C505	K481-E503 CarbonylContact C-O 3.59Å; K481-E503 WeakPolarHBondContact CA-O 3.35Å; K481-E503 WeakPolarHBondContact CB-O 3.29Å; C482-E503 PolarHBondContact N-O 3.32Å; C482-E503 PolarHBondContact O-N 3.4Å; Q484-E503 HydrophobicContact CB-CB 4.01Å; Q484-E503 HydrophobicContact CB-CG 3.77Å; Q484-E503 HydrophobicContact CG-CG 4.33Å; V486-E503 HydrophobicContact CG1-CG 4Å; S501-E503 WeakPolarHBondContact CB-OE1 3.48Å; S501-E503 PolarHBondContact OG-OE1 3.49Å; E503-C505 PolarHBondContact O-N 3.01Å
504	P	92.5	Very high	86.9	Confident	79 Å²	79	50 Å²	50	51%	0.513	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.3	133.9	171.2	-25.8	35.1	0	0	0	111.4	T506 Q511	P504-T506 PolarHBondContact O-N 2.05Å; P504-Q511 PolarHBondContact O-NE2 3.2Å
505	C	92.9	Very high	89.2	Confident	39 Å²	39	44.2 Å²	44.2	26%	0.264	23%	0.227	S	C	.	.			trans	-64.3	128.6	179.7	-68.3	0	0	0	0	110.9	C482 E503	C482-C505 HydrophobicContact CB-CB 4.01Å; C482-C505 WeakPolarHBondContact CB-SG 3.34Å; C482-C505 PolarHBondContact N-SG 3.31Å; C482-C505 WeakPolarHBondContact SG-CB 3.22Å; C482-C505 CovalentContact SG-SG 2.05Å; C482-C505 PolarHBondContact SG-SG 3.1Å; E503-C505 PolarHBondContact O-N 3.01Å
506	T	91.3	Very high	91	Very high	63 Å²	63	38.1 Å²	38.1	39%	0.387	20%	0.204	S	C	.	.			trans	-139.1	-174	-179.9	65.5	0	0	0	0	110.6	R473 P504 N508 Q511	R473-T506 PolarHBondContact NH1-O 3.09Å; R473-T506 VanDerWaalsContact NH1-O 3.1Å; P504-T506 PolarHBondContact O-N 2.05Å; T506-N508 VanDerWaalsContact C-N 3.3Å; T506-N508 VanDerWaalsContact OG1-CB 3.24Å; T506-N508 WeakPolarHBondContact OG1-CB 3.32Å; T506-N508 PolarHBondContact OG1-N 3.44Å; T506-N508 VanDerWaalsContact OG1-N 3.15Å; T506-Q511 PolarHBondContact O-OE1 3.16Å; T506-Q511 PolarHBondContact OG1-NE2 3.33Å; T506-Q511 VanDerWaalsContact OG1-NE2 3.11Å
507	S	84.1	Confident	92.2	Very high	91 Å²	91	38.8 Å²	38.8	64%	0.636	21%	0.21	S	C	*	.	S	Bend	trans	-89.1	10.1	168.2	54.7	0	0	0	0	113.3	Y509	S507-Y509 PolarHBondContact O-N 3.2Å
508	N	88.5	Confident	92.9	Very high	50 Å²	50	38.3 Å²	38.3	27%	0.267	21%	0.21	S	C	.	.			trans	-65.1	122.8	176.9	-178	-1.5	0	0	0	110.3	T506 Q510 Q511	T506-N508 VanDerWaalsContact C-N 3.3Å; T506-N508 VanDerWaalsContact OG1-CB 3.24Å; T506-N508 WeakPolarHBondContact OG1-CB 3.32Å; T506-N508 PolarHBondContact OG1-N 3.44Å; T506-N508 VanDerWaalsContact OG1-N 3.15Å; N508-Q510 PolarHBondContact ND2-OE1 3.11Å; N508-Q510 VanDerWaalsContact ND2-OE1 3.11Å; N508-Q510 PolarHBondContact O-N 3.26Å; N508-Q510 WeakPolarHBondContact OD1-CB 3.26Å; N508-Q510 WeakPolarHBondContact OD1-CG 3.38Å; N508-Q510 PolarHBondContact OD1-N 3.19Å; N508-Q511 WeakPolarHBondContact O-CB 3.28Å; N508-Q511 PolarHBondContact O-N 2.98Å
509	Y	90.4	Very high	93.3	Very high	47 Å²	47	37.5 Å²	37.5	18%	0.184	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-61	-18.8	179.5	74.5	-90	0	0	0	114.2	W294 T418 S507 Q511 F512 D524	W294-Y509 HydrophobicContact CE3-CD2 4.17Å; T418-Y509 HydrophobicContact CG2-CD2 4.4Å; T418-Y509 HydrophobicContact CG2-CG 4.28Å; T418-Y509 WeakPolarHBondContact O-CD1 3.34Å; T418-Y509 WeakPolarHBondContact O-CE1 3.22Å; S507-Y509 PolarHBondContact O-N 3.2Å; Y509-Q511 PolarHBondContact O-N 3.36Å; Y509-Q511 VanDerWaalsContact O-N 3.12Å; Y509-F512 WeakPolarHBondContact O-CB 3.44Å; Y509-F512 PolarHBondContact O-N 2.77Å; Y509-D524 HydrophobicContact CE2-CB 4.43Å
510	Q	93.2	Very high	93.6	Very high	46 Å²	46	32.6 Å²	32.6	22%	0.215	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-64.1	-10.2	171.5	-66	178.5	-32.3	0	0	113.3	Q484 L485 N508	Q484-Q510 WeakPolarHBondContact CA-O 3.46Å; Q484-Q510 HydrophobicContact CG-CB 3.89Å; L485-Q510 HydrophobicContact CB-CB 4.37Å; L485-Q510 PolarHBondContact N-O 2.82Å; N508-Q510 PolarHBondContact ND2-OE1 3.11Å; N508-Q510 VanDerWaalsContact ND2-OE1 3.11Å; N508-Q510 PolarHBondContact O-N 3.26Å; N508-Q510 WeakPolarHBondContact OD1-CB 3.26Å; N508-Q510 WeakPolarHBondContact OD1-CG 3.38Å; N508-Q510 PolarHBondContact OD1-N 3.19Å
511	Q	94.9	Very high	93.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-94.5	-3.6	172.3	-57.4	-172.9	-2.1	0	0	113	R473 C482 Q484 P504 T506 N508 Y509	R473-Q511 HydrophobicContact CG-CB 4.28Å; C482-Q511 HydrophobicContact CB-CB 4.49Å; C482-Q511 HydrophobicContact CB-CG 4.46Å; Q484-Q511 HydrophobicContact CB-CG 3.92Å; Q484-Q511 HydrophobicContact CG-CG 3.75Å; Q484-Q511 VanDerWaalsContact OE1-CG 3.24Å; P504-Q511 PolarHBondContact O-NE2 3.2Å; T506-Q511 PolarHBondContact O-OE1 3.16Å; T506-Q511 PolarHBondContact OG1-NE2 3.33Å; T506-Q511 VanDerWaalsContact OG1-NE2 3.11Å; N508-Q511 WeakPolarHBondContact O-CB 3.28Å; N508-Q511 PolarHBondContact O-N 2.98Å; Y509-Q511 PolarHBondContact O-N 3.36Å; Y509-Q511 VanDerWaalsContact O-N 3.12Å
512	F	95.4	Very high	93.9	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.018	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	143.2	177.7	-55.3	-16.1	0	0	0	110.2	W294 T418 F471 G472 R473 Y509 I605	W294-F512 HydrophobicContact CH2-CB 4.09Å; W294-F512 WeakPolarHBondContact CH2-O 3.33Å; W294-F512 HydrophobicContact CZ3-CB 3.75Å; T418-F512 HydrophobicContact CG2-CD2 4.37Å; F471-F512 HydrophobicContact CE1-CD2 4.14Å; F471-F512 HydrophobicContact CE2-CB 4.13Å; F471-F512 HydrophobicContact CZ-CB 4.02Å; F471-F512 AromaticContact CZ-CD2 3.7Å; F471-F512 HydrophobicContact CZ-CD2 3.7Å; F471-F512 HydrophobicContact CZ-CG 4.17Å; G472-F512 CarbonylContact O-C 3.49Å; G472-F512 WeakPolarHBondContact O-CA 3.33Å; R473-F512 HydrophobicContact CG-CD1 3.98Å; R473-F512 HydrophobicContact CG-CE1 4.25Å; Y509-F512 WeakPolarHBondContact O-CB 3.44Å; Y509-F512 PolarHBondContact O-N 2.77Å; F512-I605 HydrophobicContact CD1-CD1 3.59Å; F512-I605 HydrophobicContact CE1-CD1 3.27Å; F512-I605 HydrophobicContact CE2-CD1 4.4Å; F512-I605 HydrophobicContact CG-CD1 4.31Å; F512-I605 HydrophobicContact CZ-CD1 3.73Å
513	W	97.2	Very high	94	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	140	-179.6	-65.6	85.7	0	0	0	109.4	F471 G472 I474 L483 L485 V500 F521 L529 L543	F471-W513 WeakPolarHBondContact CA-O 3.33Å; G472-W513 PolarHBondContact N-O 3.08Å; G472-W513 VanDerWaalsContact N-O 3.13Å; G472-W513 PolarHBondContact O-N 3.37Å; I474-W513 HydrophobicContact CD1-CB 3.97Å; I474-W513 HydrophobicContact CD1-CD2 3.89Å; I474-W513 HydrophobicContact CD1-CG 3.57Å; I474-W513 HydrophobicContact CG1-CB 4.24Å; I474-W513 HydrophobicContact CG1-CG 3.97Å; L483-W513 HydrophobicContact CB-CZ2 4.25Å; L483-W513 HydrophobicContact CD2-CH2 4.09Å; L483-W513 HydrophobicContact CD2-CZ2 3.54Å; L483-W513 HydrophobicContact CG-CZ2 3.68Å; L483-W513 PolarHBondContact O-NE1 3.27Å; L485-W513 HydrophobicContact CD1-CH2 3.59Å; L485-W513 HydrophobicContact CD1-CZ2 3.47Å; L485-W513 VanDerWaalsContact CD1-CZ2 3.47Å; L485-W513 HydrophobicContact CD1-CZ3 4.22Å; V500-W513 HydrophobicContact CG2-CH2 4.41Å; V500-W513 HydrophobicContact CG2-CZ2 4.26Å; W513-F521 HydrophobicContact CE3-CB 4.38Å; W513-L529 HydrophobicContact CH2-CB 4.16Å; W513-L529 HydrophobicContact CH2-CD1 4.42Å; W513-L529 HydrophobicContact CZ3-CB 3.77Å; W513-L543 HydrophobicContact CH2-CD1 4.38Å; W513-L543 HydrophobicContact CH2-CD2 3.7Å; W513-L543 HydrophobicContact CZ3-CD2 3.98Å
514	V	97.5	Very high	94	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	119.5	165.2	-175.8	0	0	0	0	107.6	W294 P465 F470 F471 Y516 K522	W294-V514 HydrophobicContact CZ2-CG2 3.89Å; P465-V514 HydrophobicContact CB-CG2 4.37Å; F470-V514 CarbonylContact O-C 3.5Å; F470-V514 VanDerWaalsContact O-CA 3.31Å; F470-V514 WeakPolarHBondContact O-CA 3.19Å; F471-V514 HydrophobicContact CD2-CG2 3.78Å; F471-V514 HydrophobicContact CE2-CG2 4.22Å; V514-Y516 HydrophobicContact CB-CE2 4.06Å; V514-Y516 HydrophobicContact CG1-CD2 3.92Å; V514-Y516 HydrophobicContact CG1-CE1 4.15Å; V514-Y516 HydrophobicContact CG1-CE2 3.41Å; V514-Y516 VanDerWaalsContact CG1-CE2 3.41Å; V514-Y516 HydrophobicContact CG1-CG 4.48Å; V514-K522 PolarHBondContact N-O 3.19Å; V514-K522 PolarHBondContact O-N 3.03Å
515	I	96.9	Very high	93.8	Very high	18 Å²	18	28.8 Å²	28.8	9%	0.092	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	109.9	175.3	-56.6	168.5	0	0	0	108.1	S469 F470 I474 A520 F521 L602	S469-I515 VanDerWaalsContact CA-O 3.32Å; S469-I515 WeakPolarHBondContact CA-O 3.34Å; S469-I515 WeakPolarHBondContact CB-O 3.28Å; F470-I515 HydrophobicContact CB-CB 4.13Å; F470-I515 HydrophobicContact CD1-CB 4.14Å; F470-I515 HydrophobicContact CD1-CD1 3.51Å; F470-I515 HydrophobicContact CD1-CG1 3.83Å; F470-I515 HydrophobicContact CE1-CD1 3.95Å; F470-I515 HydrophobicContact CG-CD1 4.26Å; F470-I515 PolarHBondContact N-O 3.3Å; F470-I515 PolarHBondContact O-N 3.39Å; I474-I515 HydrophobicContact CD1-CD1 4.37Å; I515-A520 WeakPolarHBondContact CA-O 3.38Å; I515-F521 HydrophobicContact CB-CD2 4.42Å; I515-F521 HydrophobicContact CB-CE2 4.29Å; I515-F521 HydrophobicContact CB-CZ 4.45Å; I515-F521 HydrophobicContact CD1-CD1 3.83Å; I515-F521 HydrophobicContact CD1-CE1 3.32Å; I515-F521 HydrophobicContact CD1-CE2 4.22Å; I515-F521 HydrophobicContact CD1-CG 4.46Å; I515-F521 HydrophobicContact CD1-CZ 3.54Å; I515-F521 HydrophobicContact CG1-CD1 3.71Å; I515-F521 HydrophobicContact CG1-CD2 4.09Å; I515-F521 HydrophobicContact CG1-CE1 3.7Å; I515-F521 HydrophobicContact CG1-CE2 4.06Å; I515-F521 HydrophobicContact CG1-CG 3.9Å; I515-F521 HydrophobicContact CG1-CZ 3.87Å; I515-F521 HydrophobicContact CG2-CD2 3.78Å; I515-F521 HydrophobicContact CG2-CE1 4.45Å; I515-F521 HydrophobicContact CG2-CE2 3.36Å; I515-F521 HydrophobicContact CG2-CG 4.47Å; I515-F521 HydrophobicContact CG2-CZ 3.74Å; I515-L602 HydrophobicContact CD1-CD1 3.75Å; I515-L602 HydrophobicContact CD1-CD2 3.63Å; I515-L602 HydrophobicContact CD1-CG 4.36Å
516	Y	96.1	Very high	93.7	Very high	26 Å²	26	27.3 Å²	27.3	10%	0.102	15%	0.154	C	C	.	.			trans	-82.1	154.5	178.8	-68.6	-87.6	0	0	0	111.4	H462 F463 L464 T466 V514 N518 G519 A520 K522	H462-Y516 PolarHBondContact O-OH 3.48Å; F463-Y516 WeakPolarHBondContact CA-OH 3.5Å; L464-Y516 PolarHBondContact N-OH 3.47Å; L464-Y516 PolarHBondContact O-OH 3.18Å; T466-Y516 HydrophobicContact CG2-CE1 4.14Å; V514-Y516 HydrophobicContact CB-CE2 4.06Å; V514-Y516 HydrophobicContact CG1-CD2 3.92Å; V514-Y516 HydrophobicContact CG1-CE1 4.15Å; V514-Y516 HydrophobicContact CG1-CE2 3.41Å; V514-Y516 VanDerWaalsContact CG1-CE2 3.41Å; V514-Y516 HydrophobicContact CG1-CG 4.48Å; Y516-N518 VanDerWaalsContact CB-OD1 3.31Å; Y516-N518 WeakPolarHBondContact CB-OD1 3.45Å; Y516-N518 PolarHBondContact O-N 3.06Å; Y516-G519 PolarHBondContact O-N 3.02Å; Y516-A520 HydrophobicContact CD2-CB 4.37Å; Y516-A520 PolarHBondContact N-O 3.35Å; Y516-K522 HydrophobicContact CD2-CD 4.14Å; Y516-K522 HydrophobicContact CD2-CG 4.04Å; Y516-K522 HydrophobicContact CE2-CB 4.27Å; Y516-K522 HydrophobicContact CE2-CD 3.54Å; Y516-K522 HydrophobicContact CE2-CG 3.76Å
517	P	95.1	Very high	93.8	Very high	89 Å²	89	25.6 Å²	25.6	58%	0.578	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-25.1	178.9	-28.1	35.5	0	0	0	114.9	D468 G519	D468-P517 HydrophobicContact CB-CG 4Å; D468-P517 WeakPolarHBondContact O-CG 3.14Å; D468-P517 WeakPolarHBondContact OD2-CG 3.21Å; P517-G519 PolarHBondContact O-N 3.43Å
518	N	94	Very high	94.3	Very high	78 Å²	78	21.3 Å²	21.3	42%	0.417	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-3.4	175.3	67.8	4.2	0	0	0	113.6	Y516 A520 R553 R565	Y516-N518 VanDerWaalsContact CB-OD1 3.31Å; Y516-N518 WeakPolarHBondContact CB-OD1 3.45Å; Y516-N518 PolarHBondContact O-N 3.06Å; N518-A520 WeakPolarHBondContact OD1-CB 3.43Å; N518-A520 PolarHBondContact OD1-N 3.05Å; N518-R553 WeakPolarHBondContact O-CD 3.37Å; N518-R565 PolarHBondContact O-NH1 2.7Å
519	G	96.2	Very high	94.7	Very high	8 Å²	8	19 Å²	19	8%	0.082	10%	0.099	C	C	.	.	S	Bend	trans	87.7	11	-178.8	0	0	0	0	0	114.3	Y516 P517 F521 R553 W554	Y516-G519 PolarHBondContact O-N 3.02Å; P517-G519 PolarHBondContact O-N 3.43Å; G519-F521 WeakPolarHBondContact O-CD2 3.35Å; G519-R553 CarbonylContact O-C 3.6Å; G519-R553 WeakPolarHBondContact O-CA 3.36Å; G519-W554 VanDerWaalsContact CA-O 3.24Å; G519-W554 WeakPolarHBondContact CA-O 3.31Å; G519-W554 PolarHBondContact O-N 3.46Å
520	A	96.2	Very high	94.9	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.091	C	C	.	.	B	Isolated β-bridge	trans	-78.6	126.3	174.3	0	0	0	0	0	110.8	I515 Y516 N518 K522	I515-A520 WeakPolarHBondContact CA-O 3.38Å; Y516-A520 HydrophobicContact CD2-CB 4.37Å; Y516-A520 PolarHBondContact N-O 3.35Å; N518-A520 WeakPolarHBondContact OD1-CB 3.43Å; N518-A520 PolarHBondContact OD1-N 3.05Å; A520-K522 HydrophobicContact CB-CG 4.48Å
521	F	97.1	Very high	95	Very high	2 Å²	2	14.6 Å²	14.6	1%	0.009	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	104.2	178.2	-79.5	-129.3	0	0	0	107.4	I474 W513 I515 G519 C528 L529 W554 L562	I474-F521 HydrophobicContact CD1-CD1 3.62Å; I474-F521 HydrophobicContact CD1-CE1 3.79Å; W513-F521 HydrophobicContact CE3-CB 4.38Å; I515-F521 HydrophobicContact CB-CD2 4.42Å; I515-F521 HydrophobicContact CB-CE2 4.29Å; I515-F521 HydrophobicContact CB-CZ 4.45Å; I515-F521 HydrophobicContact CD1-CD1 3.83Å; I515-F521 HydrophobicContact CD1-CE1 3.32Å; I515-F521 HydrophobicContact CD1-CE2 4.22Å; I515-F521 HydrophobicContact CD1-CG 4.46Å; I515-F521 HydrophobicContact CD1-CZ 3.54Å; I515-F521 HydrophobicContact CG1-CD1 3.71Å; I515-F521 HydrophobicContact CG1-CD2 4.09Å; I515-F521 HydrophobicContact CG1-CE1 3.7Å; I515-F521 HydrophobicContact CG1-CE2 4.06Å; I515-F521 HydrophobicContact CG1-CG 3.9Å; I515-F521 HydrophobicContact CG1-CZ 3.87Å; I515-F521 HydrophobicContact CG2-CD2 3.78Å; I515-F521 HydrophobicContact CG2-CE1 4.45Å; I515-F521 HydrophobicContact CG2-CE2 3.36Å; I515-F521 HydrophobicContact CG2-CG 4.47Å; I515-F521 HydrophobicContact CG2-CZ 3.74Å; G519-F521 WeakPolarHBondContact O-CD2 3.35Å; F521-C528 WeakPolarHBondContact O-CA 3.13Å; F521-L529 HydrophobicContact CB-CB 3.88Å; F521-L529 HydrophobicContact CB-CD2 4.36Å; F521-L529 HydrophobicContact CD1-CD2 4.23Å; F521-L529 PolarHBondContact O-N 3.18Å; F521-W554 HydrophobicContact CD2-CB 3.87Å; F521-W554 AromaticContact CD2-CD1 3.79Å; F521-W554 HydrophobicContact CD2-CG 4.08Å; F521-W554 HydrophobicContact CE2-CB 3.54Å; F521-W554 HydrophobicContact CE2-CG 4.19Å; F521-W554 HydrophobicContact CZ-CB 4.07Å; F521-L562 HydrophobicContact CE1-CD1 4.18Å; F521-L562 HydrophobicContact CE1-CD2 4.02Å; F521-L562 HydrophobicContact CZ-CD2 3.85Å
522	K	96.3	Very high	94.9	Very high	20 Å²	20	16.2 Å²	16.2	9%	0.087	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	132.8	-175.9	-50.6	-161.9	-169.2	172.6	0	110.7	E461 H462 F463 V514 Y516 A520 Q527	E461-K522 PolarHBondContact O-NZ 3.27Å; E461-K522 VanDerWaalsContact O-NZ 3.1Å; H462-K522 PolarHBondContact O-NZ 3.31Å; F463-K522 HydrophobicContact CB-CB 3.81Å; F463-K522 HydrophobicContact CB-CD 3.77Å; F463-K522 HydrophobicContact CB-CG 4.45Å; V514-K522 PolarHBondContact N-O 3.19Å; V514-K522 PolarHBondContact O-N 3.03Å; Y516-K522 HydrophobicContact CD2-CD 4.14Å; Y516-K522 HydrophobicContact CD2-CG 4.04Å; Y516-K522 HydrophobicContact CE2-CB 4.27Å; Y516-K522 HydrophobicContact CE2-CD 3.54Å; Y516-K522 HydrophobicContact CE2-CG 3.76Å; A520-K522 HydrophobicContact CB-CG 4.48Å; K522-Q527 CarbonylContact C-O 3.54Å; K522-Q527 WeakPolarHBondContact CA-O 3.46Å
523	G	95.2	Very high	94.8	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.114	C	C	.	.			trans	-100	-172.9	165.1	0	0	0	0	0	111.4	F463 Q527	F463-G523 VanDerWaalsContact CD2-O 3.26Å; F463-G523 WeakPolarHBondContact CD2-O 3.44Å; G523-Q527 PolarHBondContact N-O 2.92Å
524	D	92.2	Very high	94.2	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.021	14%	0.141	C	C	.	.	S	Bend	trans	-60.2	168	170.2	-164.6	31.9	0	0	0	111.8	N293 W294 F463 L485 Y509 H526 Q527	N293-D524 VanDerWaalsContact CB-OD1 3.27Å; N293-D524 WeakPolarHBondContact CB-OD1 3.37Å; W294-D524 HydrophobicContact CD2-CB 3.92Å; W294-D524 HydrophobicContact CE3-CB 3.73Å; W294-D524 HydrophobicContact CG-CB 4.45Å; W294-D524 HydrophobicContact CH2-CB 4.46Å; W294-D524 HydrophobicContact CZ3-CB 3.99Å; W294-D524 PolarHBondContact N-OD1 2.69Å; F463-D524 WeakPolarHBondContact CE2-OD1 3.44Å; L485-D524 WeakPolarHBondContact CD2-O 3.13Å; Y509-D524 HydrophobicContact CE2-CB 4.43Å; D524-H526 PolarHBondContact O-N 3.19Å; D524-Q527 PolarHBondContact O-N 3.39Å
525	E	88.5	Confident	93.7	Very high	19 Å²	19	29.6 Å²	29.6	9%	0.089	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	28	178.9	-55.7	-79.9	-175.8	0	0	113.5	R299 R487 I498 Q527	R299-E525 WeakPolarHBondContact CD-OE2 3.22Å; R299-E525 IonicContact CZ-OE1 3.6Å; R299-E525 IonicContact CZ-OE2 3.91Å; R299-E525 IonicContact NE-OE1 2.92Å; R299-E525 PolarHBondContact NE-OE1 2.8Å; R299-E525 IonicContact NE-OE2 2.79Å; R299-E525 PolarHBondContact NE-OE2 3.21Å; R299-E525 IonicContact NH2-OE1 2.8Å; R299-E525 PolarHBondContact NH2-OE1 3.35Å; R299-E525 IonicContact NH2-OE2 3.19Å; R487-E525 IonicContact NH2-OE1 3.13Å; R487-E525 PolarHBondContact NH2-OE1 3.33Å; R487-E525 VanDerWaalsContact NH2-OE1 3.13Å; I498-E525 HydrophobicContact CD1-CB 4.05Å; I498-E525 HydrophobicContact CD1-CG 4.21Å; E525-Q527 HydrophobicContact CB-CG 4.21Å; E525-Q527 PolarHBondContact O-N 3.02Å; E525-Q527 PolarHBondContact O-NE2 3.47Å; E525-Q527 VanDerWaalsContact O-NE2 3.14Å
526	H	91	Very high	93	Very high	9 Å²	9	34.5 Å²	34.5	4%	0.042	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	30.3	-178.7	-159.7	39.9	0	0	0	114.2	Y301 E461 F463 D524 E545 C546	Y301-H526 HydrophobicContact CD1-CB 3.81Å; Y301-H526 HydrophobicContact CE1-CB 3.46Å; Y301-H526 VanDerWaalsContact CE1-CB 3.46Å; E461-H526 PolarHBondContact O-CE1 3.43Å; F463-H526 HydrophobicContact CD1-CB 3.7Å; F463-H526 AromaticContact CD1-CG 3.93Å; F463-H526 AromaticContact CD1-ND1 3.51Å; F463-H526 HydrophobicContact CE1-CB 3.6Å; F463-H526 HydrophobicContact CZ-CB 4.41Å; D524-H526 PolarHBondContact O-N 3.19Å; H526-E545 IonicContact CD2-OE1 3.12Å; H526-E545 WeakPolarHBondContact O-CA 3.48Å; H526-C546 PolarHBondContact O-N 3.2Å; H526-C546 PolarHBondContact O-SG 2.86Å; H526-C546 VanDerWaalsContact O-SG 3.35Å
527	Q	92.9	Very high	92.2	Very high	27 Å²	27	35.8 Å²	35.8	13%	0.126	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	121.7	-180	-61.8	-59.3	-53.6	0	0	111.4	L485 I498 K522 G523 D524 E525 L543 K544	L485-Q527 HydrophobicContact CD2-CB 4.06Å; L485-Q527 HydrophobicContact CD2-CG 4.16Å; I498-Q527 HydrophobicContact CB-CG 4.5Å; I498-Q527 HydrophobicContact CD1-CG 4.1Å; I498-Q527 HydrophobicContact CG2-CG 4.17Å; K522-Q527 CarbonylContact C-O 3.54Å; K522-Q527 WeakPolarHBondContact CA-O 3.46Å; G523-Q527 PolarHBondContact N-O 2.92Å; D524-Q527 PolarHBondContact O-N 3.39Å; E525-Q527 HydrophobicContact CB-CG 4.21Å; E525-Q527 PolarHBondContact O-N 3.02Å; E525-Q527 PolarHBondContact O-NE2 3.47Å; E525-Q527 VanDerWaalsContact O-NE2 3.14Å; Q527-L543 HydrophobicContact CB-CB 4.43Å; Q527-L543 HydrophobicContact CB-CD2 4.04Å; Q527-K544 CarbonylContact C-O 3.58Å; Q527-K544 WeakPolarHBondContact CA-O 3.5Å
528	C	94.7	Very high	91.9	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.007	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	131.2	173.3	-86.8	0	0	0	0	111.2	F521 G530 K544 C546 E552	F521-C528 WeakPolarHBondContact O-CA 3.13Å; C528-G530 PolarHBondContact O-N 3.3Å; C528-K544 PolarHBondContact N-O 3.05Å; C528-K544 PolarHBondContact O-N 2.97Å; C528-C546 HydrophobicContact CB-CB 3.92Å; C528-C546 WeakPolarHBondContact CB-SG 3.06Å; C528-C546 WeakPolarHBondContact SG-CB 3.23Å; C528-C546 CovalentContact SG-SG 2.03Å; C528-C546 PolarHBondContact SG-SG 3.26Å; C528-E552 HydrophobicContact CB-CB 4.35Å; C528-E552 HydrophobicContact CB-CG 4.48Å
529	L	96.8	Very high	91.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	122.3	170	-176.9	70.2	0	0	0	109	L483 V500 W513 F521 V541 L543 W554	L483-L529 HydrophobicContact CD2-CD1 4.42Å; L483-L529 HydrophobicContact CD2-CD2 3.79Å; V500-L529 HydrophobicContact CB-CD1 4.29Å; V500-L529 HydrophobicContact CG1-CD1 4.05Å; V500-L529 HydrophobicContact CG2-CD1 4.15Å; W513-L529 HydrophobicContact CH2-CB 4.16Å; W513-L529 HydrophobicContact CH2-CD1 4.42Å; W513-L529 HydrophobicContact CZ3-CB 3.77Å; F521-L529 HydrophobicContact CB-CB 3.88Å; F521-L529 HydrophobicContact CB-CD2 4.36Å; F521-L529 HydrophobicContact CD1-CD2 4.23Å; F521-L529 PolarHBondContact O-N 3.18Å; L529-V541 HydrophobicContact CD1-CG1 3.59Å; L529-L543 HydrophobicContact CB-CD2 4.18Å; L529-L543 HydrophobicContact CD1-CD2 4.39Å; L529-W554 HydrophobicContact CD2-CZ2 4.14Å; L529-W554 HydrophobicContact CG-CZ2 3.91Å; L529-W554 PolarHBondContact O-NE1 2.84Å
530	G	95.9	Very high	91.8	Very high	2 Å²	2	38.8 Å²	38.8	2%	0.021	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	-174.3	176.2	0	0	0	0	0	112.2	C528 V541 Q542 S551	C528-G530 PolarHBondContact O-N 3.3Å; G530-V541 WeakPolarHBondContact O-CA 3.43Å; G530-Q542 PolarHBondContact N-O 2.82Å; G530-Q542 PolarHBondContact O-N 2.85Å; G530-Q542 VanDerWaalsContact O-O 3.11Å; G530-S551 CarbonylContact C-O 3.5Å; G530-S551 WeakPolarHBondContact CA-O 3.26Å
531	A	95.7	Very high	91.7	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	145.7	171.5	0	0	0	0	0	111.5	W539 I540 S551 L588	A531-W539 HydrophobicContact CB-CE3 4.21Å; A531-I540 CarbonylContact C-O 3.52Å; A531-I540 WeakPolarHBondContact CA-O 3.43Å; A531-I540 VanDerWaalsContact CB-O 3.31Å; A531-I540 WeakPolarHBondContact CB-O 3.4Å; A531-S551 PolarHBondContact N-O 3.27Å; A531-L588 HydrophobicContact CB-CD1 3.44Å; A531-L588 VanDerWaalsContact CB-CD1 3.44Å
532	S	92.6	Very high	91.5	Very high	34 Å²	34	40.9 Å²	40.9	24%	0.238	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	148.9	173.2	52.6	0	0	0	0	111.7	W539 I540 Q542	S532-W539 VanDerWaalsContact C-CE3 3.48Å; S532-W539 WeakPolarHBondContact O-CA 3.38Å; S532-I540 PolarHBondContact N-O 3.05Å; S532-I540 PolarHBondContact O-N 3.24Å; S532-Q542 VanDerWaalsContact CB-NE2 3.26Å; S532-Q542 PolarHBondContact OG-NE2 3.12Å; S532-Q542 PolarHBondContact OG-OE1 2.89Å
533	Q	91.7	Very high	91.2	Very high	103 Å²	103	40.5 Å²	40.5	48%	0.481	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	125.4	174.2	-169.8	169.1	54.4	0	0	110.3	T535 G537 Q538 W539	Q533-T535 WeakPolarHBondContact CG-O 3.32Å; Q533-G537 VanDerWaalsContact NE2-N 3.13Å; Q533-Q538 WeakPolarHBondContact CA-O 3.31Å; Q533-W539 HydrophobicContact CB-CD2 4.06Å; Q533-W539 HydrophobicContact CB-CE3 4.2Å; Q533-W539 HydrophobicContact CB-CH2 4.18Å; Q533-W539 HydrophobicContact CB-CZ2 4.05Å; Q533-W539 HydrophobicContact CB-CZ3 4.25Å
534	I	86.3	Confident	90.9	Very high	111 Å²	111	45 Å²	45	57%	0.569	25%	0.248	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.4	-50.1	176	-56.1	176.3	0	0	0	110	Q538 I540	I534-Q538 PolarHBondContact N-O 2.91Å; I534-I540 HydrophobicContact CD1-CB 3.65Å; I534-I540 HydrophobicContact CD1-CD1 3.96Å; I534-I540 HydrophobicContact CD1-CG1 4.4Å; I534-I540 HydrophobicContact CD1-CG2 3.62Å; I534-I540 HydrophobicContact CG1-CB 4.12Å; I534-I540 HydrophobicContact CG1-CG2 3.66Å
535	T	85.9	Confident	90.7	Very high	70 Å²	70	47.4 Å²	47.4	43%	0.429	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	167.5	174	63.1	0	0	0	0	109	Q533 G537 Q538	Q533-T535 WeakPolarHBondContact CG-O 3.32Å; T535-G537 PolarHBondContact O-N 2.85Å; T535-Q538 PolarHBondContact O-N 2.83Å; T535-Q538 WeakPolarHBondContact OG1-CB 3.28Å; T535-Q538 PolarHBondContact OG1-OE1 2.87Å; T535-Q538 VanDerWaalsContact OG1-OE1 3.11Å
536	S	82.1	Confident	90.8	Very high	122 Å²	122	47.3 Å²	47.3	85%	0.853	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	116.9	177.8	-170	0	0	0	0	110.9	Q538	S536-Q538 VanDerWaalsContact C-N 3.33Å; S536-Q538 PolarHBondContact O-N 2.96Å
537	G	80.8	Confident	90.5	Very high	53 Å²	53	51 Å²	51	55%	0.546	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	-13.6	-179.5	0	0	0	0	0	117	Q533 T535	Q533-G537 VanDerWaalsContact NE2-N 3.13Å; T535-G537 PolarHBondContact O-N 2.85Å
538	Q	88.4	Confident	90	Very high	127 Å²	127	54.5 Å²	54.5	59%	0.593	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.8	123.8	178.3	-65.7	-172.5	-24.4	0	0	112	Q533 I534 T535 S536	Q533-Q538 WeakPolarHBondContact CA-O 3.31Å; I534-Q538 PolarHBondContact N-O 2.91Å; T535-Q538 PolarHBondContact O-N 2.83Å; T535-Q538 WeakPolarHBondContact OG1-CB 3.28Å; T535-Q538 PolarHBondContact OG1-OE1 2.87Å; T535-Q538 VanDerWaalsContact OG1-OE1 3.11Å; S536-Q538 VanDerWaalsContact C-N 3.33Å; S536-Q538 PolarHBondContact O-N 2.96Å
539	W	94	Very high	89.7	Confident	50 Å²	50	56.5 Å²	56.5	19%	0.189	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	141.3	-179.3	-66.5	79.3	0	0	0	110.8	A531 S532 Q533 H564 Q566 L569 L588	A531-W539 HydrophobicContact CB-CE3 4.21Å; S532-W539 VanDerWaalsContact C-CE3 3.48Å; S532-W539 WeakPolarHBondContact O-CA 3.38Å; Q533-W539 HydrophobicContact CB-CD2 4.06Å; Q533-W539 HydrophobicContact CB-CE3 4.2Å; Q533-W539 HydrophobicContact CB-CH2 4.18Å; Q533-W539 HydrophobicContact CB-CZ2 4.05Å; Q533-W539 HydrophobicContact CB-CZ3 4.25Å; W539-H564 AromaticContact CE3-CE1 3.84Å; W539-H564 AromaticContact CZ3-CE1 3.65Å; W539-Q566 HydrophobicContact CH2-CB 4.37Å; W539-Q566 HydrophobicContact CH2-CG 3.94Å; W539-L569 HydrophobicContact CB-CD1 4.46Å; W539-L569 HydrophobicContact CG-CD1 4.3Å; W539-L588 HydrophobicContact CB-CB 4.45Å; W539-L588 HydrophobicContact CB-CD1 3.63Å; W539-L588 HydrophobicContact CG-CD1 4.42Å
540	I	93.1	Very high	89.4	Confident	61 Å²	61	60.9 Å²	60.9	31%	0.313	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	132.6	174.6	-167.4	163.5	0	0	0	110	A531 S532 I534 L585	A531-I540 CarbonylContact C-O 3.52Å; A531-I540 WeakPolarHBondContact CA-O 3.43Å; A531-I540 VanDerWaalsContact CB-O 3.31Å; A531-I540 WeakPolarHBondContact CB-O 3.4Å; S532-I540 PolarHBondContact N-O 3.05Å; S532-I540 PolarHBondContact O-N 3.24Å; I534-I540 HydrophobicContact CD1-CB 3.65Å; I534-I540 HydrophobicContact CD1-CD1 3.96Å; I534-I540 HydrophobicContact CD1-CG1 4.4Å; I534-I540 HydrophobicContact CD1-CG2 3.62Å; I534-I540 HydrophobicContact CG1-CB 4.12Å; I534-I540 HydrophobicContact CG1-CG2 3.66Å; I540-L585 HydrophobicContact CD1-CD2 4.06Å; I540-L585 HydrophobicContact CG1-CD2 4Å
541	V	94.6	Very high	89.3	Confident	3 Å²	3	62 Å²	62	2%	0.018	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	138.7	171	-174.8	0	0	0	0	108.5	V500 L529 G530 L571 L585 P586 L588	V500-V541 HydrophobicContact CG1-CG1 3.9Å; L529-V541 HydrophobicContact CD1-CG1 3.59Å; G530-V541 WeakPolarHBondContact O-CA 3.43Å; V541-L571 HydrophobicContact CG1-CD1 4.24Å; V541-L571 HydrophobicContact CG2-CD1 3.69Å; V541-L585 HydrophobicContact CB-CD1 4.48Å; V541-P586 WeakPolarHBondContact CG2-O 3.3Å; V541-L588 HydrophobicContact CG2-CD1 4.42Å; V541-L588 HydrophobicContact CG2-CD2 4.35Å; V541-L588 HydrophobicContact CG2-CG 3.86Å
542	Q	92	Very high	89.2	Confident	43 Å²	43	62.3 Å²	62.3	20%	0.201	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	160.2	-179.7	66	-167.3	-13.7	0	0	111.2	G530 S532 K544	G530-Q542 PolarHBondContact N-O 2.82Å; G530-Q542 PolarHBondContact O-N 2.85Å; G530-Q542 VanDerWaalsContact O-O 3.11Å; S532-Q542 VanDerWaalsContact CB-NE2 3.26Å; S532-Q542 PolarHBondContact OG-NE2 3.12Å; S532-Q542 PolarHBondContact OG-OE1 2.89Å; Q542-K544 VanDerWaalsContact CD-NZ 3.27Å; Q542-K544 HydrophobicContact CG-CD 4.3Å; Q542-K544 HydrophobicContact CG-CG 4.28Å
543	L	91.5	Very high	89.4	Confident	11 Å²	11	61.8 Å²	61.8	6%	0.058	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	134	163.2	-77	170.1	0	0	0	109	L485 I498 V500 W513 Q527 L529	L485-L543 HydrophobicContact CD1-CD1 4.24Å; L485-L543 HydrophobicContact CG-CD1 3.74Å; I498-L543 HydrophobicContact CG2-CD1 4.12Å; V500-L543 HydrophobicContact CB-CD1 3.76Å; V500-L543 HydrophobicContact CB-CG 3.92Å; W513-L543 HydrophobicContact CH2-CD1 4.38Å; W513-L543 HydrophobicContact CH2-CD2 3.7Å; W513-L543 HydrophobicContact CZ3-CD2 3.98Å; Q527-L543 HydrophobicContact CB-CB 4.43Å; Q527-L543 HydrophobicContact CB-CD2 4.04Å; L529-L543 HydrophobicContact CB-CD2 4.18Å; L529-L543 HydrophobicContact CD1-CD2 4.39Å
544	K	88.9	Confident	89.7	Confident	96 Å²	96	57.1 Å²	57.1	42%	0.417	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	163.4	174.5	-73.8	-178.3	171.8	162.7	0	109.6	Q527 C528 Q542 C546	Q527-K544 CarbonylContact C-O 3.58Å; Q527-K544 WeakPolarHBondContact CA-O 3.5Å; C528-K544 PolarHBondContact N-O 3.05Å; C528-K544 PolarHBondContact O-N 2.97Å; Q542-K544 VanDerWaalsContact CD-NZ 3.27Å; Q542-K544 HydrophobicContact CG-CD 4.3Å; Q542-K544 HydrophobicContact CG-CG 4.28Å; K544-C546 PolarHBondContact O-N 3.38Å
545	E	87.9	Confident	90.2	Very high	53 Å²	53	55.9 Å²	55.9	25%	0.248	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	131.4	164.6	-172.1	176	-165.5	0	0	108.9	S302 H526 V547	S302-E545 WeakPolarHBondContact CB-OE1 3.16Å; S302-E545 PolarHBondContact N-OE1 2.91Å; S302-E545 PolarHBondContact OG-OE1 2.9Å; S302-E545 PolarHBondContact OG-OE2 3.32Å; H526-E545 IonicContact CD2-OE1 3.12Å; H526-E545 WeakPolarHBondContact O-CA 3.48Å; E545-V547 PolarHBondContact O-N 3.49Å
546	C	89.4	Confident	90.5	Very high	18 Å²	18	56.5 Å²	56.5	12%	0.122	31%	0.305	C	S	.	.			trans	-59	125.8	-176.2	-62.8	0	0	0	0	112.2	H526 C528 K544	H526-C546 PolarHBondContact O-N 3.2Å; H526-C546 PolarHBondContact O-SG 2.86Å; H526-C546 VanDerWaalsContact O-SG 3.35Å; C528-C546 HydrophobicContact CB-CB 3.92Å; C528-C546 WeakPolarHBondContact CB-SG 3.06Å; C528-C546 WeakPolarHBondContact SG-CB 3.23Å; C528-C546 CovalentContact SG-SG 2.03Å; C528-C546 PolarHBondContact SG-SG 3.26Å; K544-C546 PolarHBondContact O-N 3.38Å
547	V	85.3	Confident	90.9	Very high	86 Å²	86	54.6 Å²	54.6	52%	0.521	28%	0.283	S	S	.	.			trans	-115.7	6.2	178.8	-63.4	0	0	0	0	113.8	E545 S549 E552	E545-V547 PolarHBondContact O-N 3.49Å; V547-S549 VanDerWaalsContact C-N 3.28Å; V547-S549 PolarHBondContact O-N 3.47Å; V547-E552 PolarHBondContact N-OE2 2.98Å
548	E	82.8	Confident	91.2	Very high	101 Å²	101	61.1 Å²	61.1	47%	0.472	30%	0.299	S	S	.	.			trans	63.2	28.2	-179.8	-54.3	-175.9	155.7	0	0	114.8	E552	E548-E552 PolarHBondContact N-OE2 3.36Å
549	S	88.8	Confident	91.1	Very high	43 Å²	43	57.2 Å²	57.2	30%	0.301	29%	0.286	S	S	.	.			trans	-88.7	153.9	179	172.1	0	0	0	0	112.7	V547 S551 E552	V547-S549 VanDerWaalsContact C-N 3.28Å; V547-S549 PolarHBondContact O-N 3.47Å; S549-S551 WeakPolarHBondContact CB-OG 3.24Å; S549-S551 PolarHBondContact O-N 3.37Å; S549-S551 PolarHBondContact OG-N 2.79Å; S549-S551 VanDerWaalsContact OG-N 3.14Å; S549-S551 PolarHBondContact OG-OG 3.01Å; S549-E552 PolarHBondContact O-N 3.33Å; S549-E552 VanDerWaalsContact O-N 3.08Å
550	E	90.7	Very high	91	Very high	92 Å²	92	57 Å²	57	43%	0.43	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-59.6	-23.7	169.6	-71.1	-63.3	126.9	0	0	113.3	E552 R553 R565	E550-E552 PolarHBondContact O-N 3.41Å; E550-E552 VanDerWaalsContact O-N 3.17Å; E550-R553 PolarHBondContact O-N 3.11Å; E550-R565 VanDerWaalsContact CD-NH2 3.32Å; E550-R565 IonicContact OE1-CZ 2.74Å; E550-R565 IonicContact OE1-NH2 3.74Å; E550-R565 PolarHBondContact OE1-NH2 3.3Å; E550-R565 IonicContact OE2-CZ 2.74Å; E550-R565 IonicContact OE2-NE 3.04Å; E550-R565 PolarHBondContact OE2-NE 3.01Å; E550-R565 IonicContact OE2-NH2 3.58Å; E550-R565 PolarHBondContact OE2-NH2 2.71Å
551	S	93.3	Very high	91.1	Very high	24 Å²	24	54.6 Å²	54.6	17%	0.168	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-67	-7.7	174	63.6	0	0	0	0	114.1	G530 A531 S549 H564 Q566	G530-S551 CarbonylContact C-O 3.5Å; G530-S551 WeakPolarHBondContact CA-O 3.26Å; A531-S551 PolarHBondContact N-O 3.27Å; S549-S551 WeakPolarHBondContact CB-OG 3.24Å; S549-S551 PolarHBondContact O-N 3.37Å; S549-S551 PolarHBondContact OG-N 2.79Å; S549-S551 VanDerWaalsContact OG-N 3.14Å; S549-S551 PolarHBondContact OG-OG 3.01Å; S551-H564 PolarHBondContact O-NE2 2.78Å; S551-Q566 VanDerWaalsContact CA-OE1 3.26Å
552	E	94.1	Very high	91.2	Very high	8 Å²	8	54.5 Å²	54.5	4%	0.037	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-118.5	18.7	-179.7	-55	179.4	149.3	0	0	111.1	C528 V547 E548 S549 E550	C528-E552 HydrophobicContact CB-CB 4.35Å; C528-E552 HydrophobicContact CB-CG 4.48Å; V547-E552 PolarHBondContact N-OE2 2.98Å; E548-E552 PolarHBondContact N-OE2 3.36Å; S549-E552 PolarHBondContact O-N 3.33Å; S549-E552 VanDerWaalsContact O-N 3.08Å; E550-E552 PolarHBondContact O-N 3.41Å; E550-E552 VanDerWaalsContact O-N 3.17Å
553	R	96.7	Very high	91.5	Very high	22 Å²	22	54 Å²	54	8%	0.083	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-114	139.8	-177.9	-54.9	-63.9	-172.3	-100.5	0.6	111.3	N518 G519 E550 R565	N518-R553 WeakPolarHBondContact O-CD 3.37Å; G519-R553 CarbonylContact O-C 3.6Å; G519-R553 WeakPolarHBondContact O-CA 3.36Å; E550-R553 PolarHBondContact O-N 3.11Å; R553-R565 HydrophobicContact CB-CB 4.16Å; R553-R565 HydrophobicContact CB-CG 4.22Å; R553-R565 WeakPolarHBondContact O-CB 3.44Å; R553-R565 PolarHBondContact O-N 2.75Å
554	W	97.3	Very high	91.8	Very high	5 Å²	5	53.5 Å²	53.5	2%	0.019	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	150	-177.8	-56.3	81.2	0	0	0	110.3	G519 F521 L529 L562 I563 H564 L571 L588	G519-W554 VanDerWaalsContact CA-O 3.24Å; G519-W554 WeakPolarHBondContact CA-O 3.31Å; G519-W554 PolarHBondContact O-N 3.46Å; F521-W554 HydrophobicContact CD2-CB 3.87Å; F521-W554 AromaticContact CD2-CD1 3.79Å; F521-W554 HydrophobicContact CD2-CG 4.08Å; F521-W554 HydrophobicContact CE2-CB 3.54Å; F521-W554 HydrophobicContact CE2-CG 4.19Å; F521-W554 HydrophobicContact CZ-CB 4.07Å; L529-W554 HydrophobicContact CD2-CZ2 4.14Å; L529-W554 HydrophobicContact CG-CZ2 3.91Å; L529-W554 PolarHBondContact O-NE1 2.84Å; W554-L562 HydrophobicContact CE3-CB 4.34Å; W554-I563 CarbonylContact C-O 3.51Å; W554-I563 VanDerWaalsContact CA-O 3.23Å; W554-I563 WeakPolarHBondContact CA-O 3.28Å; W554-H564 HydrophobicContact CD2-CB 4.36Å; W554-H564 HydrophobicContact CE3-CB 3.79Å; W554-H564 HydrophobicContact CH2-CB 3.88Å; W554-H564 HydrophobicContact CZ2-CB 4.43Å; W554-H564 HydrophobicContact CZ3-CB 3.54Å; W554-L571 HydrophobicContact CH2-CD1 3.9Å; W554-L571 HydrophobicContact CZ3-CB 4Å; W554-L571 HydrophobicContact CZ3-CD1 4.13Å; W554-L588 HydrophobicContact CH2-CD2 3.88Å; W554-L588 HydrophobicContact CZ3-CD2 3.86Å
555	I	96.6	Very high	92.1	Very high	86 Å²	86	53.7 Å²	53.7	44%	0.441	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	123.1	168.9	-64.2	159.7	0	0	0	106.9	I563 R565	I555-I563 HydrophobicContact CB-CB 4.28Å; I555-I563 PolarHBondContact N-O 2.82Å; I555-I563 PolarHBondContact O-N 2.83Å; I555-R565 HydrophobicContact CD1-CG 3.75Å; I555-R565 HydrophobicContact CG1-CG 3.6Å
556	H	92.6	Very high	92.4	Very high	83 Å²	83	56.2 Å²	56.2	38%	0.384	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	109.7	167.5	179.3	-135.6	0	0	0	108.6	L562 L602	H556-L562 HydrophobicContact CB-CD2 4.19Å; H556-L602 VanDerWaalsContact CE1-CD1 3.45Å; H556-L602 WeakPolarHBondContact CE1-CD1 3.49Å; H556-L602 WeakPolarHBondContact ND1-CD1 3.05Å
557	H	90.9	Very high	92.7	Very high	82 Å²	82	56.7 Å²	56.7	38%	0.38	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	149.7	178.8	-170.3	-96	0	0	0	110.6	S559 N560 L561 I563	H557-S559 PolarHBondContact CE1-OG 2.04Å; H557-S559 PolarHBondContact ND1-N 2.94Å; H557-S559 PolarHBondContact ND1-OG 2.82Å; H557-S559 PolarHBondContact O-N 3.34Å; H557-N560 PolarHBondContact O-N 2.98Å; H557-L561 HydrophobicContact CB-CB 4.07Å; H557-L561 PolarHBondContact N-O 3.45Å; H557-I563 HydrophobicContact CB-CD1 4.23Å
558	E	85.4	Confident	93.2	Very high	189 Å²	189	54.8 Å²	54.8	88%	0.883	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-22	179.6	-62.8	179.5	175.5	0	0	114.2	N560	E558-N560 VanDerWaalsContact C-N 3.26Å; E558-N560 PolarHBondContact O-N 2.87Å
559	S	86.4	Confident	93.8	Very high	45 Å²	45	51.9 Å²	51.9	32%	0.315	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	24.8	176.7	-43.7	0	0	0	0	113.9	H557 L561 Q599	H557-S559 PolarHBondContact CE1-OG 2.04Å; H557-S559 PolarHBondContact ND1-N 2.94Å; H557-S559 PolarHBondContact ND1-OG 2.82Å; H557-S559 PolarHBondContact O-N 3.34Å; S559-L561 PolarHBondContact O-N 2.88Å; S559-L561 VanDerWaalsContact O-N 3.15Å; S559-Q599 PolarHBondContact O-NE2 3.2Å; S559-Q599 PolarHBondContact O-OE1 2.9Å
560	N	93.2	Very high	94.2	Very high	47 Å²	47	49.9 Å²	49.9	25%	0.251	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	28.2	-176.2	-59.4	-44.3	0	0	0	113.9	H557 E558 W600	H557-N560 PolarHBondContact O-N 2.98Å; E558-N560 VanDerWaalsContact C-N 3.26Å; E558-N560 PolarHBondContact O-N 2.87Å; N560-W600 WeakPolarHBondContact CB-O 3.34Å; N560-W600 PolarHBondContact O-N 2.96Å
561	L	95.7	Very high	94.5	Very high	10 Å²	10	45.5 Å²	45.5	5%	0.052	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	134.8	174.9	-57	176.6	0	0	0	109.1	H557 S559 I563 Q598	H557-L561 HydrophobicContact CB-CB 4.07Å; H557-L561 PolarHBondContact N-O 3.45Å; S559-L561 PolarHBondContact O-N 2.88Å; S559-L561 VanDerWaalsContact O-N 3.15Å; L561-I563 HydrophobicContact CB-CG1 4.44Å; L561-Q598 HydrophobicContact CD2-CB 3.79Å; L561-Q598 WeakPolarHBondContact CD2-O 3.37Å
562	L	96.9	Very high	94.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	104.5	171.8	-61	179.5	0	0	0	109.1	I474 F521 W554 H556 C570 L571 W600	I474-L562 HydrophobicContact CG2-CD1 3.83Å; F521-L562 HydrophobicContact CE1-CD1 4.18Å; F521-L562 HydrophobicContact CE1-CD2 4.02Å; F521-L562 HydrophobicContact CZ-CD2 3.85Å; W554-L562 HydrophobicContact CE3-CB 4.34Å; H556-L562 HydrophobicContact CB-CD2 4.19Å; L562-C570 CarbonylContact O-C 3.56Å; L562-C570 WeakPolarHBondContact O-CA 3.4Å; L562-L571 HydrophobicContact CB-CB 4.01Å; L562-L571 HydrophobicContact CD1-CD2 3.95Å; L562-L571 PolarHBondContact O-N 3.28Å; L562-W600 HydrophobicContact CD1-CB 3.72Å; L562-W600 HydrophobicContact CD1-CG 3.94Å; L562-W600 HydrophobicContact CG-CB 4Å; L562-W600 HydrophobicContact CG-CG 4.36Å
563	I	97	Very high	94.4	Very high	34 Å²	34	44.8 Å²	44.8	17%	0.174	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	119	-174.4	-49.6	171.8	0	0	0	109	W554 I555 H557 L561 R565	W554-I563 CarbonylContact C-O 3.51Å; W554-I563 VanDerWaalsContact CA-O 3.23Å; W554-I563 WeakPolarHBondContact CA-O 3.28Å; I555-I563 HydrophobicContact CB-CB 4.28Å; I555-I563 PolarHBondContact N-O 2.82Å; I555-I563 PolarHBondContact O-N 2.83Å; H557-I563 HydrophobicContact CB-CD1 4.23Å; L561-I563 HydrophobicContact CB-CG1 4.44Å; I563-R565 PolarHBondContact O-N 2.95Å
564	H	97.2	Very high	93.9	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	115.5	173.8	177.2	-126.9	0	0	0	110.1	W539 S551 W554 Q566 S567 G568 L569 L588	W539-H564 AromaticContact CE3-CE1 3.84Å; W539-H564 AromaticContact CZ3-CE1 3.65Å; S551-H564 PolarHBondContact O-NE2 2.78Å; W554-H564 HydrophobicContact CD2-CB 4.36Å; W554-H564 HydrophobicContact CE3-CB 3.79Å; W554-H564 HydrophobicContact CH2-CB 3.88Å; W554-H564 HydrophobicContact CZ2-CB 4.43Å; W554-H564 HydrophobicContact CZ3-CB 3.54Å; H564-Q566 PolarHBondContact O-N 3.49Å; H564-S567 WeakPolarHBondContact CB-OG 3.47Å; H564-S567 WeakPolarHBondContact ND1-CB 3.44Å; H564-S567 PolarHBondContact ND1-N 3.26Å; H564-S567 PolarHBondContact ND1-OG 2.62Å; H564-S567 PolarHBondContact O-N 2.82Å; H564-G568 WeakPolarHBondContact O-CA 3.12Å; H564-G568 PolarHBondContact O-N 2.9Å; H564-L569 PolarHBondContact N-O 3.13Å; H564-L588 HydrophobicContact CB-CD1 4.28Å; H564-L588 HydrophobicContact CB-CD2 4.11Å
565	R	95.5	Very high	93.2	Very high	99 Å²	99	50.1 Å²	50.1	37%	0.374	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-46.1	-168.5	-82.6	177.5	44.7	172.4	7.8	113.5	N518 E550 R553 I555 I563	N518-R565 PolarHBondContact O-NH1 2.7Å; E550-R565 VanDerWaalsContact CD-NH2 3.32Å; E550-R565 IonicContact OE1-CZ 2.74Å; E550-R565 IonicContact OE1-NH2 3.74Å; E550-R565 PolarHBondContact OE1-NH2 3.3Å; E550-R565 IonicContact OE2-CZ 2.74Å; E550-R565 IonicContact OE2-NE 3.04Å; E550-R565 PolarHBondContact OE2-NE 3.01Å; E550-R565 IonicContact OE2-NH2 3.58Å; E550-R565 PolarHBondContact OE2-NH2 2.71Å; R553-R565 HydrophobicContact CB-CB 4.16Å; R553-R565 HydrophobicContact CB-CG 4.22Å; R553-R565 WeakPolarHBondContact O-CB 3.44Å; R553-R565 PolarHBondContact O-N 2.75Å; I555-R565 HydrophobicContact CD1-CG 3.75Å; I555-R565 HydrophobicContact CG1-CG 3.6Å; I563-R565 PolarHBondContact O-N 2.95Å
566	Q	95.3	Very high	92.3	Very high	107 Å²	107	51.3 Å²	51.3	50%	0.5	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-35.2	-175.4	-168	178.8	15.8	0	0	113.2	W539 S551 H564	W539-Q566 HydrophobicContact CH2-CB 4.37Å; W539-Q566 HydrophobicContact CH2-CG 3.94Å; S551-Q566 VanDerWaalsContact CA-OE1 3.26Å; H564-Q566 PolarHBondContact O-N 3.49Å
567	S	95.1	Very high	91.5	Very high	28 Å²	28	47.8 Å²	47.8	20%	0.196	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-21.5	-177	70.8	0	0	0	0	114.3	H564 L569	H564-S567 WeakPolarHBondContact CB-OG 3.47Å; H564-S567 WeakPolarHBondContact ND1-CB 3.44Å; H564-S567 PolarHBondContact ND1-N 3.26Å; H564-S567 PolarHBondContact ND1-OG 2.62Å; H564-S567 PolarHBondContact O-N 2.82Å; S567-L569 PolarHBondContact O-N 3.03Å; S567-L569 WeakPolarHBondContact OG-CB 3.37Å; S567-L569 PolarHBondContact OG-N 3.39Å
568	G	95	Very high	90.7	Very high	45 Å²	45	50.9 Å²	50.9	46%	0.464	27%	0.271	S	S	.	.			trans	67.7	8.1	-169.5	0	0	0	0	0	114.7	H564	H564-G568 WeakPolarHBondContact O-CA 3.12Å; H564-G568 PolarHBondContact O-N 2.9Å
569	L	96.4	Very high	90.3	Very high	41 Å²	41	44.5 Å²	44.5	22%	0.215	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-89.6	152.2	178.2	-58.1	176.9	0	0	0	111.1	W539 H564 S567 L588 K589	W539-L569 HydrophobicContact CB-CD1 4.46Å; W539-L569 HydrophobicContact CG-CD1 4.3Å; H564-L569 PolarHBondContact N-O 3.13Å; S567-L569 PolarHBondContact O-N 3.03Å; S567-L569 WeakPolarHBondContact OG-CB 3.37Å; S567-L569 PolarHBondContact OG-N 3.39Å; L569-L588 HydrophobicContact CB-CB 3.85Å; L569-L588 HydrophobicContact CB-CD2 4.25Å; L569-L588 HydrophobicContact CB-CG 4.44Å; L569-L588 HydrophobicContact CD1-CB 3.89Å; L569-K589 WeakPolarHBondContact CA-O 2.98Å; L569-K589 WeakPolarHBondContact CB-O 3.44Å
570	C	97	Very high	89.6	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	143.4	177.8	-79.6	0	0	0	0	111.4	L562 D572 L588 K589 C591 Q598	L562-C570 CarbonylContact O-C 3.56Å; L562-C570 WeakPolarHBondContact O-CA 3.4Å; C570-D572 PolarHBondContact O-N 3.23Å; C570-L588 WeakPolarHBondContact O-CA 3.47Å; C570-K589 PolarHBondContact N-O 2.76Å; C570-K589 PolarHBondContact O-N 3.45Å; C570-C591 HydrophobicContact CB-CB 4Å; C570-C591 WeakPolarHBondContact CB-SG 3.25Å; C570-C591 PolarHBondContact N-SG 3.19Å; C570-C591 WeakPolarHBondContact SG-CA 3.48Å; C570-C591 WeakPolarHBondContact SG-CB 3.32Å; C570-C591 CovalentContact SG-SG 2.04Å; C570-C591 PolarHBondContact SG-SG 3.22Å; C570-Q598 HydrophobicContact CB-CG 4.43Å
571	L	96.5	Very high	88.6	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	121.7	168.8	-164.2	69.1	0	0	0	109.4	V541 W554 L562 P586 L588 W600	V541-L571 HydrophobicContact CG1-CD1 4.24Å; V541-L571 HydrophobicContact CG2-CD1 3.69Å; W554-L571 HydrophobicContact CH2-CD1 3.9Å; W554-L571 HydrophobicContact CZ3-CB 4Å; W554-L571 HydrophobicContact CZ3-CD1 4.13Å; L562-L571 HydrophobicContact CB-CB 4.01Å; L562-L571 HydrophobicContact CD1-CD2 3.95Å; L562-L571 PolarHBondContact O-N 3.28Å; L571-P586 HydrophobicContact CD1-CB 3.67Å; L571-P586 HydrophobicContact CG-CB 4.08Å; L571-L588 HydrophobicContact CD1-CD2 4.49Å; L571-W600 HydrophobicContact CD2-CD2 4.12Å; L571-W600 HydrophobicContact CD2-CH2 4.43Å; L571-W600 HydrophobicContact CD2-CZ2 3.92Å; L571-W600 HydrophobicContact CG-CZ2 3.98Å; L571-W600 PolarHBondContact O-NE1 2.94Å
572	D	95.1	Very high	87.8	Confident	4 Å²	4	53.9 Å²	53.9	2%	0.021	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	154.5	-177.6	-157.1	-49	0	0	0	109.8	C570 P586 V587 K589 G597 Q598	C570-D572 PolarHBondContact O-N 3.23Å; D572-P586 WeakPolarHBondContact O-CA 3.27Å; D572-P586 WeakPolarHBondContact O-CB 3.2Å; D572-V587 HydrophobicContact CB-CG2 4.1Å; D572-V587 PolarHBondContact N-O 2.73Å; D572-V587 PolarHBondContact O-N 3.15Å; D572-K589 HydrophobicContact CB-CB 4.19Å; D572-K589 HydrophobicContact CB-CD 4.28Å; D572-K589 HydrophobicContact CB-CG 4.02Å; D572-K589 IonicContact OD1-NZ 3.58Å; D572-K589 PolarHBondContact OD1-NZ 2.95Å; D572-K589 VanDerWaalsContact OD2-CD 3.29Å; D572-K589 WeakPolarHBondContact OD2-CD 3.21Å; D572-K589 IonicContact OD2-NZ 2.78Å; D572-K589 PolarHBondContact OD2-NZ 2.85Å; D572-G597 CarbonylContact C-O 3.6Å; D572-G597 WeakPolarHBondContact CA-O 3.31Å; D572-Q598 HydrophobicContact CB-CG 3.84Å; D572-Q598 VanDerWaalsContact CG-CG 3.49Å; D572-Q598 VanDerWaalsContact OD2-CG 3.22Å; D572-Q598 WeakPolarHBondContact OD2-CG 3.43Å; D572-Q598 PolarHBondContact OD2-NE2 3.2Å
573	S	90.8	Very high	87	Confident	13 Å²	13	56.3 Å²	56.3	9%	0.091	32%	0.318	C	S	.	.			trans	-49.7	138.8	175.9	56.9	0	0	0	0	113.1	V587 G597	S573-V587 WeakPolarHBondContact O-CG2 3.37Å; S573-G597 PolarHBondContact N-O 3.22Å
574	P	86.4	Confident	86.5	Confident	6 Å²	6	55.1 Å²	55.1	4%	0.039	31%	0.311	C	S	.	.			trans	-46.4	141.4	167	-25.7	23.5	0	0	0	113	A502 N576 M577 H584 L585 P586	A502-P574 HydrophobicContact CB-CG 4.18Å; P574-N576 VanDerWaalsContact C-N 3.29Å; P574-N576 PolarHBondContact O-N 3.23Å; P574-M577 HydrophobicContact CB-CE 3.91Å; P574-M577 HydrophobicContact CB-SD 4.35Å; P574-M577 HydrophobicContact CG-CE 3.61Å; P574-M577 HydrophobicContact CG-SD 4.03Å; P574-H584 HydrophobicContact CB-CB 4.11Å; P574-H584 VanDerWaalsContact CG-C 3.43Å; P574-H584 HydrophobicContact CG-CB 3.81Å; P574-H584 WeakPolarHBondContact CG-O 3.45Å; P574-L585 WeakPolarHBondContact CB-O 3.38Å; P574-P586 HydrophobicContact CG-CG 4.45Å
575	L	81.8	Confident	86.2	Confident	132 Å²	132	57.7 Å²	57.7	69%	0.691	33%	0.325	S	S	*	.	S	Bend	trans	-63.2	-33.2	-179	-64.5	173.8	0	0	0	113.1	V587	L575-V587 HydrophobicContact CG-CG1 4.45Å
576	N	77.5	Confident	86	Confident	112 Å²	112	53 Å²	53	60%	0.599	31%	0.307	S	S	*	.			trans	-120.7	77.2	-177.5	-68.5	-17.6	0	0	0	110.8	P574 H584	P574-N576 VanDerWaalsContact C-N 3.29Å; P574-N576 PolarHBondContact O-N 3.23Å; N576-H584 PolarHBondContact O-CE1 2.95Å; N576-H584 PolarHBondContact O-ND1 2.84Å
577	M	77.1	Confident	86	Confident	9 Å²	9	49.8 Å²	49.8	4%	0.044	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-21.2	-175	-162.1	67.7	67.8	0	0	114.7	Y479 K481 A502 P574 H584	Y479-M577 HydrophobicContact CD1-CB 4.42Å; Y479-M577 HydrophobicContact CD1-CG 3.87Å; Y479-M577 HydrophobicContact CD2-CB 4.42Å; Y479-M577 HydrophobicContact CD2-CE 3.3Å; Y479-M577 HydrophobicContact CD2-CG 3.77Å; Y479-M577 HydrophobicContact CD2-SD 4.18Å; Y479-M577 HydrophobicContact CE1-CB 4.24Å; Y479-M577 HydrophobicContact CE1-CG 4.2Å; Y479-M577 HydrophobicContact CE2-CB 4.29Å; Y479-M577 HydrophobicContact CE2-CE 3.6Å; Y479-M577 HydrophobicContact CE2-CG 4.14Å; Y479-M577 HydrophobicContact CG-CE 4.09Å; Y479-M577 HydrophobicContact CG-CG 3.66Å; Y479-M577 HydrophobicContact CG-SD 4.41Å; K481-M577 HydrophobicContact CD-CG 4.42Å; K481-M577 HydrophobicContact CD-SD 3.85Å; K481-M577 PolarHBondContact NZ-O 3.46Å; A502-M577 HydrophobicContact CB-SD 4.23Å; P574-M577 HydrophobicContact CB-CE 3.91Å; P574-M577 HydrophobicContact CB-SD 4.35Å; P574-M577 HydrophobicContact CG-CE 3.61Å; P574-M577 HydrophobicContact CG-SD 4.03Å; M577-H584 VanDerWaalsContact C-CE1 3.42Å; M577-H584 PolarHBondContact O-CE1 3.36Å; M577-H584 PolarHBondContact O-NE2 2.74Å; M577-H584 HydrophobicContact SD-CB 4.33Å
578	N	74.1	Confident	86	Confident	146 Å²	146	49.4 Å²	49.4	78%	0.781	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-4.9	-169.8	-66.1	-11.6	0	0	0	113.9	P580	N578-P580 VanDerWaalsContact O-CD 3.27Å; N578-P580 WeakPolarHBondContact O-CD 3.34Å
579	D	77.2	Confident	86	Confident	56 Å²	56	51.1 Å²	51.1	30%	0.299	29%	0.285	S	S	.	.			trans	-90.3	106.1	179.8	179.6	-4.4	0	0	0	110.2	T581 V582 H584	D579-T581 PolarHBondContact O-N 3.01Å; D579-T581 VanDerWaalsContact O-N 3.16Å; D579-T581 WeakPolarHBondContact OD1-CB 3.14Å; D579-T581 PolarHBondContact OD1-N 3.05Å; D579-T581 PolarHBondContact OD1-OG1 3.16Å; D579-T581 PolarHBondContact OD2-OG1 3.21Å; D579-V582 HydrophobicContact CB-CG2 3.76Å; D579-V582 VanDerWaalsContact O-CG2 3.3Å; D579-V582 WeakPolarHBondContact O-CG2 3.44Å; D579-V582 PolarHBondContact O-N 2.73Å; D579-V582 WeakPolarHBondContact OD2-CG1 3.32Å; D579-H584 PolarHBondContact O-CE1 2.81Å; D579-H584 PolarHBondContact O-NE2 3.33Å
580	P	70.7	Confident	85.9	Confident	118 Å²	118	59.6 Å²	59.6	77%	0.766	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-7.9	-177.5	32.6	-36.9	0	0	0	113.1	N578	N578-P580 VanDerWaalsContact O-CD 3.27Å; N578-P580 WeakPolarHBondContact O-CD 3.34Å
581	T	71.9	Confident	85.9	Confident	121 Å²	121	61.8 Å²	61.8	74%	0.742	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	-7	-177.6	72.3	0	0	0	0	113.2	D579	D579-T581 PolarHBondContact O-N 3.01Å; D579-T581 VanDerWaalsContact O-N 3.16Å; D579-T581 WeakPolarHBondContact OD1-CB 3.14Å; D579-T581 PolarHBondContact OD1-N 3.05Å; D579-T581 PolarHBondContact OD1-OG1 3.16Å; D579-T581 PolarHBondContact OD2-OG1 3.21Å
582	V	79.6	Confident	85.8	Confident	59 Å²	59	64 Å²	64	36%	0.358	34%	0.344	S	S	.	.	S	Bend	trans	-117.2	149.6	-176.2	-62.2	0	0	0	0	112.4	D579 H584	D579-V582 HydrophobicContact CB-CG2 3.76Å; D579-V582 VanDerWaalsContact O-CG2 3.3Å; D579-V582 WeakPolarHBondContact O-CG2 3.44Å; D579-V582 PolarHBondContact O-N 2.73Å; D579-V582 WeakPolarHBondContact OD2-CG1 3.32Å; V582-H584 PolarHBondContact O-N 3.39Å
583	V	80.4	Confident	85.5	Confident	51 Å²	51	70 Å²	70	31%	0.309	37%	0.37	S	S	.	.			trans	-65.4	119.9	165.6	177.7	0	0	0	0	108.2	V486 V488 L585	V486-V583 HydrophobicContact CG2-CG1 4.18Å; V488-V583 HydrophobicContact CG1-CG2 3.62Å; V583-L585 PolarHBondContact O-N 3.3Å
584	H	86.7	Confident	85.4	Confident	9 Å²	9	78.2 Å²	78.2	4%	0.042	40%	0.401	C	S	.	.			trans	-80.8	72.2	178	-59.7	-66	0	0	0	110	K481 S501 A502 P574 N576 M577 D579 V582 P586	K481-H584 PolarHBondContact NZ-CD2 2.92Å; K481-H584 PolarHBondContact NZ-NE2 2.89Å; S501-H584 WeakPolarHBondContact CA-O 3.46Å; S501-H584 PolarHBondContact OG-N 2.77Å; A502-H584 HydrophobicContact CB-CB 4.21Å; A502-H584 PolarHBondContact N-O 2.8Å; A502-H584 WeakPolarHBondContact O-CB 3.39Å; A502-H584 PolarHBondContact O-CD2 2.87Å; P574-H584 HydrophobicContact CB-CB 4.11Å; P574-H584 VanDerWaalsContact CG-C 3.43Å; P574-H584 HydrophobicContact CG-CB 3.81Å; P574-H584 WeakPolarHBondContact CG-O 3.45Å; N576-H584 PolarHBondContact O-CE1 2.95Å; N576-H584 PolarHBondContact O-ND1 2.84Å; M577-H584 VanDerWaalsContact C-CE1 3.42Å; M577-H584 PolarHBondContact O-CE1 3.36Å; M577-H584 PolarHBondContact O-NE2 2.74Å; M577-H584 HydrophobicContact SD-CB 4.33Å; D579-H584 PolarHBondContact O-CE1 2.81Å; D579-H584 PolarHBondContact O-NE2 3.33Å; V582-H584 PolarHBondContact O-N 3.39Å; H584-P586 VanDerWaalsContact O-CD 3.29Å; H584-P586 WeakPolarHBondContact O-CD 3.46Å
585	L	89.9	Confident	85.7	Confident	55 Å²	55	79.5 Å²	79.5	29%	0.288	41%	0.41	S	S	.	.			trans	-70.7	119.4	-179.7	-177.9	64.1	0	0	0	110.7	V500 I540 V541 P574 V583	V500-L585 HydrophobicContact CG1-CD1 3.57Å; V500-L585 WeakPolarHBondContact O-CD1 3.41Å; I540-L585 HydrophobicContact CD1-CD2 4.06Å; I540-L585 HydrophobicContact CG1-CD2 4Å; V541-L585 HydrophobicContact CB-CD1 4.48Å; P574-L585 WeakPolarHBondContact CB-O 3.38Å; V583-L585 PolarHBondContact O-N 3.3Å
586	P	92.2	Very high	86.1	Confident	1 Å²	1	80.2 Å²	80.2	1%	0.006	41%	0.408	C	S	.	.			trans	-61.8	151.2	173.4	-23.4	36	0	0	0	112	L483 V541 L571 D572 P574 H584 W600	L483-P586 HydrophobicContact CD1-CG 3.7Å; V541-P586 WeakPolarHBondContact CG2-O 3.3Å; L571-P586 HydrophobicContact CD1-CB 3.67Å; L571-P586 HydrophobicContact CG-CB 4.08Å; D572-P586 WeakPolarHBondContact O-CA 3.27Å; D572-P586 WeakPolarHBondContact O-CB 3.2Å; P574-P586 HydrophobicContact CG-CG 4.45Å; H584-P586 VanDerWaalsContact O-CD 3.29Å; H584-P586 WeakPolarHBondContact O-CD 3.46Å; P586-W600 HydrophobicContact CB-CH2 4.46Å; P586-W600 HydrophobicContact CB-CZ2 4.32Å; P586-W600 HydrophobicContact CG-CH2 4.11Å; P586-W600 HydrophobicContact CG-CZ2 4.46Å
587	V	93.9	Very high	86.8	Confident	39 Å²	39	75.2 Å²	75.2	24%	0.236	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	165.5	-178.7	-59.1	0	0	0	0	110.3	D572 S573 L575 K589	D572-V587 HydrophobicContact CB-CG2 4.1Å; D572-V587 PolarHBondContact N-O 2.73Å; D572-V587 PolarHBondContact O-N 3.15Å; S573-V587 WeakPolarHBondContact O-CG2 3.37Å; L575-V587 HydrophobicContact CG-CG1 4.45Å; V587-K589 HydrophobicContact CG2-CG 4.24Å
588	L	95.5	Very high	87.6	Confident	19 Å²	19	75 Å²	75	10%	0.099	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	128.9	172.6	-73.2	175.7	0	0	0	110.1	A531 W539 V541 W554 H564 L569 C570 L571	A531-L588 HydrophobicContact CB-CD1 3.44Å; A531-L588 VanDerWaalsContact CB-CD1 3.44Å; W539-L588 HydrophobicContact CB-CB 4.45Å; W539-L588 HydrophobicContact CB-CD1 3.63Å; W539-L588 HydrophobicContact CG-CD1 4.42Å; V541-L588 HydrophobicContact CG2-CD1 4.42Å; V541-L588 HydrophobicContact CG2-CD2 4.35Å; V541-L588 HydrophobicContact CG2-CG 3.86Å; W554-L588 HydrophobicContact CH2-CD2 3.88Å; W554-L588 HydrophobicContact CZ3-CD2 3.86Å; H564-L588 HydrophobicContact CB-CD1 4.28Å; H564-L588 HydrophobicContact CB-CD2 4.11Å; L569-L588 HydrophobicContact CB-CB 3.85Å; L569-L588 HydrophobicContact CB-CD2 4.25Å; L569-L588 HydrophobicContact CB-CG 4.44Å; L569-L588 HydrophobicContact CD1-CB 3.89Å; C570-L588 WeakPolarHBondContact O-CA 3.47Å; L571-L588 HydrophobicContact CD1-CD2 4.49Å
589	K	94.9	Very high	88.6	Confident	81 Å²	81	69.9 Å²	69.9	35%	0.352	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	167.7	174.1	-63.2	-166.7	-157.4	140.1	0	111.1	L569 C570 D572 V587 C591	L569-K589 WeakPolarHBondContact CA-O 2.98Å; L569-K589 WeakPolarHBondContact CB-O 3.44Å; C570-K589 PolarHBondContact N-O 2.76Å; C570-K589 PolarHBondContact O-N 3.45Å; D572-K589 HydrophobicContact CB-CB 4.19Å; D572-K589 HydrophobicContact CB-CD 4.28Å; D572-K589 HydrophobicContact CB-CG 4.02Å; D572-K589 IonicContact OD1-NZ 3.58Å; D572-K589 PolarHBondContact OD1-NZ 2.95Å; D572-K589 VanDerWaalsContact OD2-CD 3.29Å; D572-K589 WeakPolarHBondContact OD2-CD 3.21Å; D572-K589 IonicContact OD2-NZ 2.78Å; D572-K589 PolarHBondContact OD2-NZ 2.85Å; V587-K589 HydrophobicContact CG2-CG 4.24Å; K589-C591 PolarHBondContact O-N 3.38Å
590	R	95.4	Very high	89.5	Confident	219 Å²	219	67.2 Å²	67.2	83%	0.826	34%	0.338	S	S	*	.			trans	-57.3	134.5	172	-178	-179.8	-88.8	-147.1	-2.6	109.2	S592 Q598	R590-S592 PolarHBondContact O-N 3.35Å; R590-Q598 PolarHBondContact O-NE2 3.22Å
591	C	95.9	Very high	90.7	Very high	46 Å²	46	64.8 Å²	64.8	31%	0.311	32%	0.319	S	S	.	.			trans	-62	131.4	-179.6	-67.2	0	0	0	0	112.2	C570 K589	C570-C591 HydrophobicContact CB-CB 4Å; C570-C591 WeakPolarHBondContact CB-SG 3.25Å; C570-C591 PolarHBondContact N-SG 3.19Å; C570-C591 WeakPolarHBondContact SG-CA 3.48Å; C570-C591 WeakPolarHBondContact SG-CB 3.32Å; C570-C591 CovalentContact SG-SG 2.04Å; C570-C591 PolarHBondContact SG-SG 3.22Å; K589-C591 PolarHBondContact O-N 3.38Å
592	S	94.3	Very high	91.8	Very high	47 Å²	47	60.4 Å²	60.4	33%	0.329	29%	0.29	S	S	.	.			trans	-144.4	115.7	173.4	176.2	0	0	0	0	109.6	R590 Y594 S595 Q598	R590-S592 PolarHBondContact O-N 3.35Å; S592-Y594 PolarHBondContact O-N 2.56Å; S592-Y594 VanDerWaalsContact O-N 3.07Å; S592-Y594 PolarHBondContact OG-N 2.93Å; S592-S595 WeakPolarHBondContact O-CB 3.13Å; S592-S595 PolarHBondContact O-N 3.06Å; S592-Q598 PolarHBondContact O-OE1 2.99Å
593	K	88.5	Confident	92.5	Very high	130 Å²	130	59.5 Å²	59.5	57%	0.565	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-17.6	175.4	67.6	-177.9	-175.6	178.9	0	113.9
594	Y	89.3	Confident	93.2	Very high	186 Å²	186	62.1 Å²	62.1	73%	0.729	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-10.9	178.2	-55.4	-72.7	0	0	0	113	S592 K596	S592-Y594 PolarHBondContact O-N 2.56Å; S592-Y594 VanDerWaalsContact O-N 3.07Å; S592-Y594 PolarHBondContact OG-N 2.93Å; Y594-K596 PolarHBondContact O-N 3.21Å
595	S	92.2	Very high	93.5	Very high	33 Å²	33	62.7 Å²	62.7	23%	0.231	30%	0.304	C	S	.	.			trans	-77.3	107.2	178.7	-174.9	0	0	0	0	110.1	S592 G597 Q598	S592-S595 WeakPolarHBondContact O-CB 3.13Å; S592-S595 PolarHBondContact O-N 3.06Å; S595-G597 PolarHBondContact O-N 2.64Å; S595-Q598 PolarHBondContact O-N 2.76Å
596	K	90.5	Very high	93.5	Very high	148 Å²	148	63.8 Å²	63.8	64%	0.643	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-59.8	-26.2	173.3	-65.9	-172.6	178.7	-176.3	0	112.8	L478 Y594 Q598 Q599	L478-K596 HydrophobicContact CB-CB 4.35Å; L478-K596 HydrophobicContact CD1-CB 4.26Å; L478-K596 HydrophobicContact CD1-CD 4.29Å; L478-K596 HydrophobicContact CD2-CB 4.06Å; L478-K596 HydrophobicContact CG-CB 4.47Å; Y594-K596 PolarHBondContact O-N 3.21Å; K596-Q598 PolarHBondContact O-N 3.12Å; K596-Q599 PolarHBondContact O-N 3.44Å
597	G	92.3	Very high	93.5	Very high	7 Å²	7	64.6 Å²	64.6	7%	0.072	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-72.7	-6.9	175.1	0	0	0	0	0	114.5	H476 D572 S573 S595	H476-G597 PolarHBondContact NE2-O 3.25Å; D572-G597 CarbonylContact C-O 3.6Å; D572-G597 WeakPolarHBondContact CA-O 3.31Å; S573-G597 PolarHBondContact N-O 3.22Å; S595-G597 PolarHBondContact O-N 2.64Å
598	Q	95.1	Very high	93.3	Very high	4 Å²	4	65 Å²	65	2%	0.019	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-109	8.1	178	-64.1	-179.8	-0.6	0	0	112.8	L561 C570 D572 R590 S592 S595 K596	L561-Q598 HydrophobicContact CD2-CB 3.79Å; L561-Q598 WeakPolarHBondContact CD2-O 3.37Å; C570-Q598 HydrophobicContact CB-CG 4.43Å; D572-Q598 HydrophobicContact CB-CG 3.84Å; D572-Q598 VanDerWaalsContact CG-CG 3.49Å; D572-Q598 VanDerWaalsContact OD2-CG 3.22Å; D572-Q598 WeakPolarHBondContact OD2-CG 3.43Å; D572-Q598 PolarHBondContact OD2-NE2 3.2Å; R590-Q598 PolarHBondContact O-NE2 3.22Å; S592-Q598 PolarHBondContact O-OE1 2.99Å; S595-Q598 PolarHBondContact O-N 2.76Å; K596-Q598 PolarHBondContact O-N 3.12Å
599	Q	94.7	Very high	92.5	Very high	38 Å²	38	70.7 Å²	70.7	18%	0.178	34%	0.337	C	S	.	.			trans	-93.2	103.9	-175.9	-67.5	-65.9	-60.2	0	0	110.7	T477 S559 K596	T477-Q599 PolarHBondContact N-O 3.07Å; T477-Q599 WeakPolarHBondContact OG1-CB 3.44Å; T477-Q599 PolarHBondContact OG1-O 2.96Å; S559-Q599 PolarHBondContact O-NE2 3.2Å; S559-Q599 PolarHBondContact O-OE1 2.9Å; K596-Q599 PolarHBondContact O-N 3.44Å
600	W	95.2	Very high	91.1	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	106.8	-179.1	-60.7	90.4	0	0	0	110.4	I474 H475 H476 L483 N560 L562 L571 P586	I474-W600 HydrophobicContact CG2-CB 4.1Å; I474-W600 HydrophobicContact CG2-CD2 4.45Å; I474-W600 HydrophobicContact CG2-CE3 3.88Å; H475-W600 CarbonylContact O-C 3.51Å; H475-W600 WeakPolarHBondContact O-CA 3.27Å; H476-W600 HydrophobicContact CB-CD2 4.35Å; H476-W600 HydrophobicContact CB-CE3 3.71Å; H476-W600 HydrophobicContact CB-CH2 3.99Å; H476-W600 HydrophobicContact CB-CZ3 3.55Å; H476-W600 AromaticContact CD2-CD2 3.82Å; H476-W600 AromaticContact CD2-CE2 3.56Å; H476-W600 AromaticContact CD2-CH2 3.86Å; H476-W600 AromaticContact CD2-CZ2 3.58Å; L483-W600 HydrophobicContact CD1-CH2 4.33Å; L483-W600 HydrophobicContact CD1-CZ3 4.24Å; N560-W600 WeakPolarHBondContact CB-O 3.34Å; N560-W600 PolarHBondContact O-N 2.96Å; L562-W600 HydrophobicContact CD1-CB 3.72Å; L562-W600 HydrophobicContact CD1-CG 3.94Å; L562-W600 HydrophobicContact CG-CB 4Å; L562-W600 HydrophobicContact CG-CG 4.36Å; L571-W600 HydrophobicContact CD2-CD2 4.12Å; L571-W600 HydrophobicContact CD2-CH2 4.43Å; L571-W600 HydrophobicContact CD2-CZ2 3.92Å; L571-W600 HydrophobicContact CG-CZ2 3.98Å; L571-W600 PolarHBondContact O-NE1 2.94Å; P586-W600 HydrophobicContact CB-CH2 4.46Å; P586-W600 HydrophobicContact CB-CZ2 4.32Å; P586-W600 HydrophobicContact CG-CH2 4.11Å; P586-W600 HydrophobicContact CG-CZ2 4.46Å
601	L	95.6	Very high	88.9	Confident	68 Å²	68	60.3 Å²	60.3	36%	0.356	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	133	177.8	-177.1	66.2	0	0	0	110.4	H475 T477 E603	H475-L601 PolarHBondContact N-O 3.15Å; H475-L601 PolarHBondContact O-N 2.99Å; T477-L601 HydrophobicContact CG2-CB 4.06Å; L601-E603 HydrophobicContact CD2-CG 4.41Å
602	L	95.6	Very high	86.4	Confident	28 Å²	28	63.2 Å²	63.2	15%	0.147	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	114.2	170.8	-60	-171	0	0	0	109.6	F470 I474 I515 H556 P604	F470-L602 HydrophobicContact CD2-CB 4.14Å; F470-L602 HydrophobicContact CD2-CD1 4.42Å; F470-L602 HydrophobicContact CE1-CB 4.4Å; F470-L602 HydrophobicContact CE1-CD2 4.42Å; F470-L602 HydrophobicContact CE2-CB 3.58Å; F470-L602 HydrophobicContact CG-CD1 4.42Å; F470-L602 HydrophobicContact CZ-CB 3.72Å; F470-L602 HydrophobicContact CZ-CD2 4.47Å; I474-L602 HydrophobicContact CB-CD2 4.44Å; I474-L602 HydrophobicContact CG1-CD2 3.86Å; I474-L602 HydrophobicContact CG2-CD2 4.26Å; I515-L602 HydrophobicContact CD1-CD1 3.75Å; I515-L602 HydrophobicContact CD1-CD2 3.63Å; I515-L602 HydrophobicContact CD1-CG 4.36Å; H556-L602 VanDerWaalsContact CE1-CD1 3.45Å; H556-L602 WeakPolarHBondContact CE1-CD1 3.49Å; H556-L602 WeakPolarHBondContact ND1-CD1 3.05Å; L602-P604 WeakPolarHBondContact O-CD 3.42Å
603	E	95.1	Very high	83.4	Confident	41 Å²	41	67.2 Å²	67.2	19%	0.192	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	104.3	178.5	-65.1	-175.4	171.1	0	0	110.3	F470 G472 R473 H475 L601	F470-E603 WeakPolarHBondContact CZ-O 3.16Å; G472-E603 CarbonylContact C-O 3.58Å; G472-E603 WeakPolarHBondContact CA-O 3.45Å; R473-E603 HydrophobicContact CB-CB 4.32Å; R473-E603 IonicContact CZ-OE2 3.25Å; R473-E603 PolarHBondContact N-O 2.91Å; R473-E603 IonicContact NE-OE2 3.35Å; R473-E603 PolarHBondContact NE-OE2 2.99Å; R473-E603 IonicContact NH2-OE2 2.76Å; R473-E603 PolarHBondContact NH2-OE2 2.72Å; R473-E603 PolarHBondContact O-N 3.13Å; H475-E603 HydrophobicContact CB-CG 4.07Å; H475-E603 IonicContact CE1-OE1 2.76Å; H475-E603 IonicContact CG-OE1 2.64Å; H475-E603 IonicContact ND1-OE1 2.95Å; H475-E603 PolarHBondContact ND1-OE1 3.36Å; L601-E603 HydrophobicContact CD2-CG 4.41Å
604	P	94.5	Very high	80.6	Confident	106 Å²	106	69.9 Å²	69.9	69%	0.688	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.9	146.3	-175.1	29.1	-34.9	0	0	0	112.1	F470 F471 L602	F470-P604 HydrophobicContact CD2-CB 4.38Å; F470-P604 HydrophobicContact CE2-CB 3.98Å; F471-P604 WeakPolarHBondContact O-CA 3.48Å; L602-P604 WeakPolarHBondContact O-CD 3.42Å
605	I	92.4	Very high	80.2	Confident	21 Å²	21	64.1 Å²	64.1	11%	0.108	36%	0.359	C	S	.	.			trans	-123.2	128.4	171.6	-63.3	175.6	0	0	0	107.4	M417 F471 R473 F512 W607	M417-I605 HydrophobicContact SD-CG2 3.99Å; F471-I605 HydrophobicContact CD1-CB 4.02Å; F471-I605 HydrophobicContact CD1-CG2 4.26Å; F471-I605 HydrophobicContact CE1-CB 4.31Å; F471-I605 HydrophobicContact CE1-CG2 4.17Å; F471-I605 PolarHBondContact O-N 3.34Å; R473-I605 HydrophobicContact CG-CD1 4.34Å; F512-I605 HydrophobicContact CD1-CD1 3.59Å; F512-I605 HydrophobicContact CE1-CD1 3.27Å; F512-I605 HydrophobicContact CE2-CD1 4.4Å; F512-I605 HydrophobicContact CG-CD1 4.31Å; F512-I605 HydrophobicContact CZ-CD1 3.73Å; I605-W607 PolarHBondContact O-N 3.07Å
606	D	91.4	Very high	79.6	Confident	77 Å²	77	65.7 Å²	65.7	41%	0.412	37%	0.365	S	S	.	.			trans	-69.5	107.4	174.7	-177	-3.2	0	0	0	110	K608 H609 G611	D606-K608 PolarHBondContact OD1-N 3.49Å; D606-H609 PolarHBondContact OD1-N 3.42Å; D606-H609 IonicContact OD1-ND1 3.49Å; D606-H609 PolarHBondContact OD1-ND1 2.84Å; D606-H609 WeakPolarHBondContact OD2-CB 3.13Å; D606-H609 IonicContact OD2-CG 3.56Å; D606-H609 IonicContact OD2-ND1 3.12Å; D606-H609 PolarHBondContact OD2-ND1 3.36Å; D606-H609 VanDerWaalsContact OD2-ND1 3.12Å; D606-G611 VanDerWaalsContact O-CA 3.25Å; D606-G611 WeakPolarHBondContact O-CA 3.08Å; D606-G611 PolarHBondContact O-N 3.12Å
607	W	91.5	Very high	79	Confident	18 Å²	18	61.2 Å²	61.2	7%	0.068	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-10.1	-178.7	67.2	-92.8	0	0	0	114.4	E410 W411 H413 V414 M417 P465 F471 I605	E410-W607 HydrophobicContact CB-CZ3 4.38Å; E410-W607 HydrophobicContact CG-CH2 4.06Å; E410-W607 HydrophobicContact CG-CZ3 3.83Å; W411-W607 AromaticContact CD1-CZ3 3.9Å; W411-W607 HydrophobicContact CD2-CH2 4.39Å; W411-W607 HydrophobicContact CD2-CZ3 4.04Å; W411-W607 AromaticContact CE2-CH2 3.81Å; W411-W607 AromaticContact CE2-CZ3 3.83Å; W411-W607 HydrophobicContact CG-CZ3 4.11Å; W411-W607 HydrophobicContact CH2-CH2 4.44Å; W411-W607 AromaticContact CZ2-CH2 3.85Å; W411-W607 HydrophobicContact CZ2-CH2 3.85Å; W411-W607 HydrophobicContact CZ2-CZ3 4.33Å; W411-W607 AromaticContact NE1-CH2 3.9Å; W411-W607 AromaticContact NE1-CZ3 3.73Å; H413-W607 WeakPolarHBondContact CB-O 3.19Å; V414-W607 HydrophobicContact CG2-CB 4.02Å; V414-W607 HydrophobicContact CG2-CE3 3.98Å; M417-W607 HydrophobicContact CE-CB 3.98Å; P465-W607 HydrophobicContact CB-CD2 3.85Å; P465-W607 HydrophobicContact CB-CG 3.86Å; P465-W607 HydrophobicContact CB-CZ2 4.41Å; P465-W607 HydrophobicContact CG-CB 4.01Å; P465-W607 HydrophobicContact CG-CD2 3.51Å; P465-W607 HydrophobicContact CG-CE3 3.8Å; P465-W607 HydrophobicContact CG-CG 3.61Å; P465-W607 HydrophobicContact CG-CZ3 4.45Å; F471-W607 HydrophobicContact CB-CB 4.43Å; F471-W607 HydrophobicContact CB-CG 4.38Å; F471-W607 HydrophobicContact CD1-CB 3.59Å; F471-W607 HydrophobicContact CD1-CG 4.4Å; F471-W607 HydrophobicContact CE1-CB 4Å; F471-W607 HydrophobicContact CG-CB 4.08Å; F471-W607 HydrophobicContact CG-CG 4.48Å; I605-W607 PolarHBondContact O-N 3.07Å
608	K	89.7	Confident	78.2	Confident	49 Å²	49	64.4 Å²	64.4	21%	0.213	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-23	-175.9	-68.2	-174.6	177.1	-137.2	0	114	E410 H413 D467 D606	E410-K608 VanDerWaalsContact CD-NZ 3.32Å; E410-K608 IonicContact OE1-NZ 2.72Å; E410-K608 PolarHBondContact OE1-NZ 3Å; E410-K608 WeakPolarHBondContact OE2-CD 3.39Å; E410-K608 WeakPolarHBondContact OE2-CE 3.45Å; E410-K608 IonicContact OE2-NZ 2.78Å; E410-K608 PolarHBondContact OE2-NZ 3.24Å; H413-K608 PolarHBondContact CD2-O 3.17Å; H413-K608 PolarHBondContact NE2-O 2.85Å; D467-K608 WeakPolarHBondContact OD1-CE 3.49Å; D467-K608 IonicContact OD1-NZ 3.12Å; D467-K608 PolarHBondContact OD1-NZ 3.46Å; D467-K608 IonicContact OD2-NZ 3.78Å; D606-K608 PolarHBondContact OD1-N 3.49Å
609	H	79.4	Confident	77.1	Confident	137 Å²	137	68.1 Å²	68.1	63%	0.634	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.9	22.3	-170.3	-56.1	76	0	0	0	114.8	D606	D606-H609 PolarHBondContact OD1-N 3.42Å; D606-H609 IonicContact OD1-ND1 3.49Å; D606-H609 PolarHBondContact OD1-ND1 2.84Å; D606-H609 WeakPolarHBondContact OD2-CB 3.13Å; D606-H609 IonicContact OD2-CG 3.56Å; D606-H609 IonicContact OD2-ND1 3.12Å; D606-H609 PolarHBondContact OD2-ND1 3.36Å; D606-H609 VanDerWaalsContact OD2-ND1 3.12Å
610	N	65.6	Low	76	Confident	62 Å²	62	70.1 Å²	70.1	33%	0.332	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	76.2	-166.6	-70.6	-20.6	0	0	0	111.5	H413 L612	H413-N610 VanDerWaalsContact ND1-CG 3.33Å; H413-N610 PolarHBondContact ND1-OD1 3.14Å; N610-L612 PolarHBondContact O-N 3.19Å
611	G	47.8	Very low	74.6	Confident	21 Å²	21	75.1 Å²	75.1	22%	0.216	43%	0.431	C	S	.	.			trans	-69.8	28	-177.9	0	0	0	0	0	117.1	D606	D606-G611 VanDerWaalsContact O-CA 3.25Å; D606-G611 WeakPolarHBondContact O-CA 3.08Å; D606-G611 PolarHBondContact O-N 3.12Å
612	L	43.9	Very low	73	Confident	107 Å²	107	75.7 Å²	75.7	56%	0.56	44%	0.436	S	S	*	.			trans	-102.3	56.5	168.2	-66	175.8	0	0	0	110.2	N610 S614	N610-L612 PolarHBondContact O-N 3.19Å; L612-S614 PolarHBondContact O-N 2.93Å
613	T	32.2	Very low	71.1	Confident	131 Å²	131	79.7 Å²	79.7	80%	0.804	46%	0.461	S	S	*	.			trans	-73.1	106.8	147.5	49.8	0	0	0	0	106
614	S	29.7	Very low	68.9	Low	186 Å²	186	83.2 Å²	83.2	100%	1.301	49%	0.485	S	S	*	.			trans	-51.1	0	179.7	58.6	0	0	0	0	113.6	L612	L612-S614 PolarHBondContact O-N 2.93Å

Retrieved 614 of 614 residues in 569 ms (Link to these results)

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