A0A087XAZ6_POEFO Loading...

CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 4

AlphaFold DB , UniProt , Accession A0A087XAZ6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 339 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	50.2	Low	52.5	Low	230 Å²	230	124.3 Å²	124.3	100%	1.133	66%	0.662	S	S	*	*				0	124.7	0	-79.8	166.1	69.8	0	0	108.4
2	S	45.9	Very low	53	Low	76 Å²	76	130.4 Å²	130.4	53%	0.531	67%	0.669	S	S	.	*			trans	-69.3	141.1	-169	174.4	0	0	0	0	113.4	T4 T5	S2-T4 PolarHBondContact O-N 3.38Å; S2-T4 PolarHBondContact OG-OG1 2.58Å; S2-T5 PolarHBondContact O-N 3.41Å; S2-T5 PolarHBondContact O-OG1 3.38Å
3	Q	53.4	Low	53.7	Low	178 Å²	178	127.3 Å²	127.3	83%	0.832	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.7	-11.9	177.8	-76.9	-177.6	-5.7	0	0	114.9
4	T	53.7	Low	54.9	Low	103 Å²	103	126.2 Å²	126.2	63%	0.632	65%	0.649	S	S	*	*	H	α-helix	trans	-77.8	-18.5	174.4	35.7	0	0	0	0	114.5	S2 T8	S2-T4 PolarHBondContact O-N 3.38Å; S2-T4 PolarHBondContact OG-OG1 2.58Å; T4-T8 PolarHBondContact O-OG1 2.88Å
5	T	52.5	Low	56	Low	74 Å²	74	123.2 Å²	123.2	45%	0.454	64%	0.641	S	S	.	*	H	α-helix	trans	-84.3	-22.4	178.4	46.8	0	0	0	0	114	S2 T8	S2-T5 PolarHBondContact O-N 3.41Å; S2-T5 PolarHBondContact O-OG1 3.38Å; T5-T8 PolarHBondContact O-OG1 3.34Å
6	A	53.2	Low	57.2	Low	67 Å²	67	122.4 Å²	122.4	55%	0.554	64%	0.636	S	S	*	*	H	α-helix	trans	-75.6	-34.2	177.7	0	0	0	0	0	112.9	C10	A6-C10 PolarHBondContact O-N 3.38Å
7	K	51.8	Low	58.3	Low	162 Å²	162	122 Å²	122	70%	0.704	63%	0.634	S	S	*	*	H	α-helix	trans	-70.9	-32.2	-179.8	-75.4	-176.9	176.4	179.3	0	113.1	L11	K7-L11 WeakPolarHBondContact O-CD1 3.33Å
8	T	53.6	Low	59.5	Low	80 Å²	80	119.6 Å²	119.6	49%	0.491	63%	0.626	S	S	.	*	H	α-helix	trans	-76.5	-27.9	179.8	22.5	0	0	0	0	113.2	T4 T5 R12	T4-T8 PolarHBondContact O-OG1 2.88Å; T5-T8 PolarHBondContact O-OG1 3.34Å; T8-R12 WeakPolarHBondContact O-CG 3.23Å
9	W	51.5	Low	60.6	Low	179 Å²	179	121.2 Å²	121.2	68%	0.678	63%	0.627	S	S	*	*	H	α-helix	trans	-76.5	-38.4	173.9	-89.3	81.2	0	0	0	112.9	L11 R12 L13	W9-L11 VanDerWaalsContact C-N 3.35Å; W9-L11 PolarHBondContact O-N 2.76Å; W9-R12 PolarHBondContact O-N 3.43Å; W9-L13 HydrophobicContact CE3-CD1 4.3Å; W9-L13 WeakPolarHBondContact O-CG 3.42Å; W9-L13 PolarHBondContact O-N 3.48Å
10	C	54.6	Low	61.7	Low	85 Å²	85	122.1 Å²	122.1	57%	0.574	63%	0.626	S	S	*	*	H	α-helix	trans	-60.8	-40.3	176.4	-106.9	0	0	0	0	113	A6 R12 L14	A6-C10 PolarHBondContact O-N 3.38Å; C10-R12 VanDerWaalsContact C-N 3.35Å; C10-R12 PolarHBondContact O-N 2.91Å; C10-L14 WeakPolarHBondContact O-CD1 3.19Å; C10-L14 PolarHBondContact O-N 3.21Å
11	L	57.2	Low	62.6	Low	133 Å²	133	120.7 Å²	120.7	70%	0.696	62%	0.619	S	S	*	*	H	α-helix	trans	-72.4	-23.5	179	-91.8	121.3	0	0	0	114	K7 W9	K7-L11 WeakPolarHBondContact O-CD1 3.33Å; W9-L11 VanDerWaalsContact C-N 3.35Å; W9-L11 PolarHBondContact O-N 2.76Å
12	R	58.8	Low	64	Low	198 Å²	198	113.2 Å²	113.2	75%	0.747	59%	0.589	S	S	*	*	H	α-helix	trans	-85.2	-22.6	177.9	-72.3	-175.4	179.3	-168	0.5	113.7	T8 W9 C10	T8-R12 WeakPolarHBondContact O-CG 3.23Å; W9-R12 PolarHBondContact O-N 3.43Å; C10-R12 VanDerWaalsContact C-N 3.35Å; C10-R12 PolarHBondContact O-N 2.91Å
13	L	62.2	Low	65.6	Low	90 Å²	90	115.1 Å²	115.1	47%	0.471	59%	0.588	S	S	.	*	H	α-helix	trans	-88.2	-22.8	179.2	-69.1	170.1	0	0	0	113.3	W9 I16 L17	W9-L13 HydrophobicContact CE3-CD1 4.3Å; W9-L13 WeakPolarHBondContact O-CG 3.42Å; W9-L13 PolarHBondContact O-N 3.48Å; L13-I16 HydrophobicContact CD2-CD1 4.42Å; L13-I16 PolarHBondContact O-N 3.01Å; L13-L17 PolarHBondContact O-N 3.14Å
14	L	69.8	Low	66.7	Low	112 Å²	112	109.2 Å²	109.2	59%	0.586	56%	0.563	S	S	*	*	H	α-helix	trans	-53.6	-49.9	176.7	-116.3	107.6	0	0	0	114.3	C10 I16 L17 V18	C10-L14 WeakPolarHBondContact O-CD1 3.19Å; C10-L14 PolarHBondContact O-N 3.21Å; L14-I16 VanDerWaalsContact C-N 3.29Å; L14-I16 PolarHBondContact O-N 3.25Å; L14-L17 PolarHBondContact O-N 3.43Å; L14-V18 WeakPolarHBondContact O-CG2 3.26Å; L14-V18 PolarHBondContact O-N 3.13Å
15	P	71.6	Confident	67.7	Low	81 Å²	81	108 Å²	108	53%	0.526	56%	0.556	S	S	.	*	H	α-helix	trans	-67.3	-29.4	-179.4	22.7	-31.3	0	0	0	113.1	F19	P15-F19 WeakPolarHBondContact O-CB 3.3Å; P15-F19 PolarHBondContact O-N 2.69Å
16	I	75.3	Confident	68.8	Low	110 Å²	110	111.4 Å²	111.4	56%	0.564	56%	0.561	S	S	*	*	H	α-helix	trans	-70.2	-41.4	176	-60.5	172.9	0	0	0	110.1	L13 L14 F19 F20	L13-I16 HydrophobicContact CD2-CD1 4.42Å; L13-I16 PolarHBondContact O-N 3.01Å; L14-I16 VanDerWaalsContact C-N 3.29Å; L14-I16 PolarHBondContact O-N 3.25Å; I16-F19 PolarHBondContact O-N 3.13Å; I16-F20 WeakPolarHBondContact O-CB 3.43Å; I16-F20 PolarHBondContact O-N 3.22Å
17	L	76.7	Confident	69.8	Low	116 Å²	116	115 Å²	115	61%	0.607	56%	0.562	S	S	*	*	H	α-helix	trans	-63.8	-43	176.4	-151.8	95.1	0	0	0	111.4	L13 L14 F20 I21	L13-L17 PolarHBondContact O-N 3.14Å; L14-L17 PolarHBondContact O-N 3.43Å; L17-F20 PolarHBondContact O-N 2.88Å; L17-I21 HydrophobicContact CD2-CD1 4.11Å; L17-I21 HydrophobicContact CG-CD1 4.3Å; L17-I21 WeakPolarHBondContact O-CD1 3.27Å; L17-I21 VanDerWaalsContact O-CG1 3.23Å; L17-I21 WeakPolarHBondContact O-CG1 3.23Å; L17-I21 PolarHBondContact O-N 3.37Å
18	V	79.3	Confident	70.5	Confident	79 Å²	79	114.7 Å²	114.7	48%	0.479	56%	0.557	S	S	.	*	H	α-helix	trans	-64.1	-43.9	176.7	173.7	0	0	0	0	111	L14 F20 I21 C22	L14-V18 WeakPolarHBondContact O-CG2 3.26Å; L14-V18 PolarHBondContact O-N 3.13Å; V18-F20 VanDerWaalsContact C-N 3.33Å; V18-F20 PolarHBondContact O-N 3.21Å; V18-I21 PolarHBondContact O-N 3.46Å; V18-C22 WeakPolarHBondContact O-CB 3.24Å; V18-C22 PolarHBondContact O-N 3.17Å; V18-C22 PolarHBondContact O-SG 3.04Å; V18-C22 VanDerWaalsContact O-SG 3.39Å
19	F	80.8	Confident	71	Confident	149 Å²	149	115.6 Å²	115.6	65%	0.654	57%	0.567	S	S	*	*	H	α-helix	trans	-61.5	-41.9	176.2	-173.6	-96.7	0	0	0	111.9	P15 I16 C22 F23	P15-F19 WeakPolarHBondContact O-CB 3.3Å; P15-F19 PolarHBondContact O-N 2.69Å; I16-F19 PolarHBondContact O-N 3.13Å; F19-C22 PolarHBondContact O-N 3.04Å; F19-F23 VanDerWaalsContact O-CB 3.31Å; F19-F23 WeakPolarHBondContact O-CB 3.5Å; F19-F23 PolarHBondContact O-N 3.13Å
20	F	81.3	Confident	71.2	Confident	140 Å²	140	115.9 Å²	115.9	61%	0.614	57%	0.569	S	S	*	*	H	α-helix	trans	-65.4	-41.6	177.4	-159.4	-95.3	0	0	0	111.9	I16 L17 V18 F23 V24	I16-F20 WeakPolarHBondContact O-CB 3.43Å; I16-F20 PolarHBondContact O-N 3.22Å; L17-F20 PolarHBondContact O-N 2.88Å; V18-F20 VanDerWaalsContact C-N 3.33Å; V18-F20 PolarHBondContact O-N 3.21Å; F20-F23 PolarHBondContact O-N 3.34Å; F20-V24 HydrophobicContact CD1-CG2 3.93Å; F20-V24 HydrophobicContact CE1-CG2 3.79Å; F20-V24 HydrophobicContact CZ-CG2 4.4Å; F20-V24 WeakPolarHBondContact O-CB 3.5Å; F20-V24 VanDerWaalsContact O-CG2 3.22Å; F20-V24 WeakPolarHBondContact O-CG2 3.35Å; F20-V24 PolarHBondContact O-N 3.35Å
21	I	82.3	Confident	71.1	Confident	92 Å²	92	114.2 Å²	114.2	47%	0.472	56%	0.561	S	S	.	*	H	α-helix	trans	-65.4	-41.9	175.9	-67.1	164.3	0	0	0	111.1	L17 V18 V24 T25	L17-I21 HydrophobicContact CD2-CD1 4.11Å; L17-I21 HydrophobicContact CG-CD1 4.3Å; L17-I21 WeakPolarHBondContact O-CD1 3.27Å; L17-I21 VanDerWaalsContact O-CG1 3.23Å; L17-I21 WeakPolarHBondContact O-CG1 3.23Å; L17-I21 PolarHBondContact O-N 3.37Å; V18-I21 PolarHBondContact O-N 3.46Å; I21-V24 PolarHBondContact O-N 3.3Å; I21-T25 HydrophobicContact CG2-CG2 4.44Å; I21-T25 WeakPolarHBondContact O-CB 3.5Å; I21-T25 VanDerWaalsContact O-CG2 3.31Å; I21-T25 WeakPolarHBondContact O-CG2 3.33Å; I21-T25 PolarHBondContact O-N 2.88Å; I21-T25 PolarHBondContact O-OG1 3.44Å
22	C	79	Confident	70.5	Confident	73 Å²	73	111.7 Å²	111.7	49%	0.493	55%	0.551	S	S	.	*	H	α-helix	trans	-64.7	-40.6	175.2	-74.5	0	0	0	0	112.1	V18 F19 T25 Y26	V18-C22 WeakPolarHBondContact O-CB 3.24Å; V18-C22 PolarHBondContact O-N 3.17Å; V18-C22 PolarHBondContact O-SG 3.04Å; V18-C22 VanDerWaalsContact O-SG 3.39Å; F19-C22 PolarHBondContact O-N 3.04Å; C22-T25 WeakPolarHBondContact CA-OG1 3.41Å; C22-T25 PolarHBondContact O-OG1 2.81Å; C22-Y26 WeakPolarHBondContact O-CB 3.43Å; C22-Y26 PolarHBondContact O-N 3.24Å
23	F	79.1	Confident	69.7	Low	117 Å²	117	107.4 Å²	107.4	51%	0.513	55%	0.549	S	S	.	.	H	α-helix	trans	-67.7	-42.6	177.6	-173.9	-96.3	0	0	0	111.7	F19 F20 Y26 Y27	F19-F23 VanDerWaalsContact O-CB 3.31Å; F19-F23 WeakPolarHBondContact O-CB 3.5Å; F19-F23 PolarHBondContact O-N 3.13Å; F20-F23 PolarHBondContact O-N 3.34Å; F23-Y26 PolarHBondContact O-N 2.65Å; F23-Y27 WeakPolarHBondContact O-CB 3.36Å; F23-Y27 PolarHBondContact O-N 3.15Å
24	V	77.6	Confident	68.5	Low	53 Å²	53	113.5 Å²	113.5	32%	0.321	57%	0.566	S	S	.	*	H	α-helix	trans	-67	-40.6	176.5	172.7	0	0	0	0	111.1	F20 I21 Y27 Y28	F20-V24 HydrophobicContact CD1-CG2 3.93Å; F20-V24 HydrophobicContact CE1-CG2 3.79Å; F20-V24 HydrophobicContact CZ-CG2 4.4Å; F20-V24 WeakPolarHBondContact O-CB 3.5Å; F20-V24 VanDerWaalsContact O-CG2 3.22Å; F20-V24 WeakPolarHBondContact O-CG2 3.35Å; F20-V24 PolarHBondContact O-N 3.35Å; I21-V24 PolarHBondContact O-N 3.3Å; V24-Y27 PolarHBondContact O-N 3.26Å; V24-Y28 HydrophobicContact CG1-CD2 3.76Å; V24-Y28 HydrophobicContact CG1-CE2 4.07Å; V24-Y28 WeakPolarHBondContact O-CB 3.49Å; V24-Y28 WeakPolarHBondContact O-CD2 3.26Å; V24-Y28 PolarHBondContact O-N 3.02Å
25	T	74.3	Confident	66.9	Low	77 Å²	77	113.4 Å²	113.4	47%	0.472	57%	0.574	S	S	.	*	H	α-helix	trans	-69.5	-38.9	176.6	48.8	0	0	0	0	112.4	I21 C22 S29	I21-T25 HydrophobicContact CG2-CG2 4.44Å; I21-T25 WeakPolarHBondContact O-CB 3.5Å; I21-T25 VanDerWaalsContact O-CG2 3.31Å; I21-T25 WeakPolarHBondContact O-CG2 3.33Å; I21-T25 PolarHBondContact O-N 2.88Å; I21-T25 PolarHBondContact O-OG1 3.44Å; C22-T25 WeakPolarHBondContact CA-OG1 3.41Å; C22-T25 PolarHBondContact O-OG1 2.81Å; T25-S29 VanDerWaalsContact O-CB 3.27Å; T25-S29 WeakPolarHBondContact O-CB 3.27Å; T25-S29 PolarHBondContact O-N 3.22Å; T25-S29 PolarHBondContact O-OG 3.47Å
26	Y	76.1	Confident	65.1	Low	146 Å²	146	119.2 Å²	119.2	57%	0.573	59%	0.587	S	S	*	*	H	α-helix	trans	-62.7	-46.9	171.9	178.8	-101.5	0	0	0	111.4	C22 F23 S29 Y30	C22-Y26 WeakPolarHBondContact O-CB 3.43Å; C22-Y26 PolarHBondContact O-N 3.24Å; F23-Y26 PolarHBondContact O-N 2.65Å; Y26-S29 PolarHBondContact O-N 2.83Å; Y26-Y30 HydrophobicContact CE2-CD2 4.11Å; Y26-Y30 HydrophobicContact CE2-CE2 4.33Å; Y26-Y30 PolarHBondContact O-N 2.9Å; Y26-Y30 VanDerWaalsContact O-N 3.08Å
27	Y	73	Confident	63	Low	143 Å²	143	117 Å²	117	56%	0.561	59%	0.592	S	S	*	*	H	α-helix	trans	-64.8	-44.3	178.2	-169.8	-95.6	0	0	0	111.6	F23 V24 S29 Y30 A31	F23-Y27 WeakPolarHBondContact O-CB 3.36Å; F23-Y27 PolarHBondContact O-N 3.15Å; V24-Y27 PolarHBondContact O-N 3.26Å; Y27-S29 VanDerWaalsContact C-N 3.3Å; Y27-S29 PolarHBondContact O-N 2.96Å; Y27-Y30 PolarHBondContact O-N 3.49Å; Y27-A31 HydrophobicContact CD1-CB 3.78Å; Y27-A31 HydrophobicContact CD2-CB 4.33Å; Y27-A31 HydrophobicContact CE1-CB 3.53Å; Y27-A31 HydrophobicContact CE2-CB 4.12Å; Y27-A31 HydrophobicContact CG-CB 4.18Å; Y27-A31 WeakPolarHBondContact O-CA 3.31Å; Y27-A31 WeakPolarHBondContact O-CB 3.48Å; Y27-A31 PolarHBondContact O-N 3.35Å
28	Y	65.9	Low	60.9	Low	156 Å²	156	114 Å²	114	61%	0.612	59%	0.588	S	S	*	*	H	α-helix	trans	-66.7	-29.8	175	-95	-91.4	0	0	0	113	V24 Y30 V32	V24-Y28 HydrophobicContact CG1-CD2 3.76Å; V24-Y28 HydrophobicContact CG1-CE2 4.07Å; V24-Y28 WeakPolarHBondContact O-CB 3.49Å; V24-Y28 WeakPolarHBondContact O-CD2 3.26Å; V24-Y28 PolarHBondContact O-N 3.02Å; Y28-Y30 VanDerWaalsContact C-N 3.3Å; Y28-Y30 PolarHBondContact O-N 3.36Å; Y28-V32 HydrophobicContact CD1-CG2 3.65Å; Y28-V32 HydrophobicContact CE1-CG2 4.32Å; Y28-V32 HydrophobicContact CG-CG2 4.49Å; Y28-V32 VanDerWaalsContact O-CB 3.28Å; Y28-V32 WeakPolarHBondContact O-CB 3.45Å; Y28-V32 WeakPolarHBondContact O-CG2 3.45Å; Y28-V32 PolarHBondContact O-N 3.31Å
29	S	65	Low	58.5	Low	98 Å²	98	116 Å²	116	69%	0.685	60%	0.603	S	S	*	*	H	α-helix	trans	-72.4	-23.8	174.9	-58.4	0	0	0	0	113	T25 Y26 Y27	T25-S29 VanDerWaalsContact O-CB 3.27Å; T25-S29 WeakPolarHBondContact O-CB 3.27Å; T25-S29 PolarHBondContact O-N 3.22Å; T25-S29 PolarHBondContact O-OG 3.47Å; Y26-S29 PolarHBondContact O-N 2.83Å; Y27-S29 VanDerWaalsContact C-N 3.3Å; Y27-S29 PolarHBondContact O-N 2.96Å
30	Y	56.4	Low	56.4	Low	186 Å²	186	114 Å²	114	73%	0.729	61%	0.608	S	S	*	*	H	α-helix	trans	-106.6	-28.4	-178.1	-113.3	-90	0	0	0	114.5	Y26 Y27 Y28	Y26-Y30 HydrophobicContact CE2-CD2 4.11Å; Y26-Y30 HydrophobicContact CE2-CE2 4.33Å; Y26-Y30 PolarHBondContact O-N 2.9Å; Y26-Y30 VanDerWaalsContact O-N 3.08Å; Y27-Y30 PolarHBondContact O-N 3.49Å; Y28-Y30 VanDerWaalsContact C-N 3.3Å; Y28-Y30 PolarHBondContact O-N 3.36Å
31	A	50.9	Low	54.1	Low	50 Å²	50	115.8 Å²	115.8	41%	0.413	62%	0.615	S	S	.	*	H	α-helix	trans	-102.6	-7.4	-174.4	0	0	0	0	0	113.2	Y27 P33	Y27-A31 HydrophobicContact CD1-CB 3.78Å; Y27-A31 HydrophobicContact CD2-CB 4.33Å; Y27-A31 HydrophobicContact CE1-CB 3.53Å; Y27-A31 HydrophobicContact CE2-CB 4.12Å; Y27-A31 HydrophobicContact CG-CB 4.18Å; Y27-A31 WeakPolarHBondContact O-CA 3.31Å; Y27-A31 WeakPolarHBondContact O-CB 3.48Å; Y27-A31 PolarHBondContact O-N 3.35Å; A31-P33 VanDerWaalsContact O-CD 3.32Å; A31-P33 WeakPolarHBondContact O-CD 3.34Å
32	V	46	Very low	51.8	Low	79 Å²	79	117.6 Å²	117.6	48%	0.479	63%	0.631	S	S	.	*	S	Bend	trans	-82.7	112.3	160.3	177.4	0	0	0	0	106.5	Y28 R34	Y28-V32 HydrophobicContact CD1-CG2 3.65Å; Y28-V32 HydrophobicContact CE1-CG2 4.32Å; Y28-V32 HydrophobicContact CG-CG2 4.49Å; Y28-V32 VanDerWaalsContact O-CB 3.28Å; Y28-V32 WeakPolarHBondContact O-CB 3.45Å; Y28-V32 WeakPolarHBondContact O-CG2 3.45Å; Y28-V32 PolarHBondContact O-N 3.31Å; V32-R34 PolarHBondContact O-N 2.86Å; V32-R34 VanDerWaalsContact O-N 3.09Å
33	P	41.5	Very low	49.8	Very low	108 Å²	108	118.9 Å²	118.9	70%	0.701	63%	0.632	S	S	*	*			trans	-56.1	124.5	166.9	-13.4	27.1	0	0	0	106.1	A31 S35	A31-P33 VanDerWaalsContact O-CD 3.32Å; A31-P33 WeakPolarHBondContact O-CD 3.34Å; P33-S35 PolarHBondContact O-N 3.28Å
34	R	36	Very low	48	Very low	219 Å²	219	117.7 Å²	117.7	83%	0.826	64%	0.638	S	S	*	*			trans	-58.7	85.4	164.1	-107	-178.6	176.1	170.2	-0.8	106.9	V32 Y36	V32-R34 PolarHBondContact O-N 2.86Å; V32-R34 VanDerWaalsContact O-N 3.09Å; R34-Y36 HydrophobicContact CB-CD2 4.29Å; R34-Y36 HydrophobicContact CG-CD2 4.16Å; R34-Y36 HydrophobicContact CG-CE2 4.21Å; R34-Y36 PolarHBondContact O-N 2.88Å
35	S	37	Very low	46.6	Very low	110 Å²	110	116.5 Å²	116.5	77%	0.769	63%	0.633	S	S	*	*			trans	-72.2	74.3	164.1	-169.9	0	0	0	0	106.1	P33 G37	P33-S35 PolarHBondContact O-N 3.28Å; S35-G37 PolarHBondContact O-N 3.28Å
36	Y	34	Very low	45.2	Very low	202 Å²	202	116.1 Å²	116.1	79%	0.792	63%	0.633	S	S	*	*			trans	-74.3	66.9	150.2	-86.8	-81.9	0	0	0	106.8	R34 G38	R34-Y36 HydrophobicContact CB-CD2 4.29Å; R34-Y36 HydrophobicContact CG-CD2 4.16Å; R34-Y36 HydrophobicContact CG-CE2 4.21Å; R34-Y36 PolarHBondContact O-N 2.88Å; Y36-G38 PolarHBondContact O-N 3.28Å
37	G	31.8	Very low	43.7	Very low	64 Å²	64	117.6 Å²	117.6	66%	0.66	64%	0.643	S	S	*	*			trans	-71.1	72	161.3	0	0	0	0	0	108.7	S35	S35-G37 PolarHBondContact O-N 3.28Å
38	G	31.3	Very low	43.1	Very low	52 Å²	52	113.3 Å²	113.3	54%	0.536	63%	0.633	S	S	.	*			trans	-57.1	147.4	146.9	0	0	0	0	0	107.2	Y36 S40	Y36-G38 PolarHBondContact O-N 3.28Å; G38-S40 PolarHBondContact O-N 3.28Å
39	P	30.2	Very low	43.2	Very low	122 Å²	122	108.4 Å²	108.4	79%	0.792	62%	0.618	S	S	*	*			trans	-55.8	108.8	-172.8	23.2	-30.8	0	0	0	108	K41	P39-K41 PolarHBondContact O-N 3.5Å
40	S	34.9	Very low	43.4	Very low	107 Å²	107	104.4 Å²	104.4	75%	0.748	59%	0.589	S	S	*	*			trans	-65	87.5	165.7	-177.2	0	0	0	0	104.4	G38 T42	G38-S40 PolarHBondContact O-N 3.28Å; S40-T42 PolarHBondContact O-N 2.92Å
41	K	33.5	Very low	43.5	Very low	177 Å²	177	97.9 Å²	97.9	77%	0.77	58%	0.579	S	S	*	*			trans	-57.1	100.5	155.6	-79.6	-175.5	177.7	179.7	0	103	P39 L43	P39-K41 PolarHBondContact O-N 3.5Å; K41-L43 PolarHBondContact O-N 2.55Å
42	T	33.4	Very low	43.8	Very low	130 Å²	130	97.6 Å²	97.6	80%	0.798	58%	0.58	S	S	*	*			trans	-53.7	86.7	159.2	39.5	0	0	0	0	105.8	S40 S44	S40-T42 PolarHBondContact O-N 2.92Å; T42-S44 VanDerWaalsContact C-N 3.29Å; T42-S44 PolarHBondContact O-N 3.37Å
43	L	38.9	Very low	44	Very low	100 Å²	100	95.8 Å²	95.8	52%	0.524	57%	0.565	S	S	.	*			trans	-71.1	98.4	178	-160.9	78.9	0	0	0	104.1	K41 S45 S48	K41-L43 PolarHBondContact O-N 2.55Å; L43-S45 WeakPolarHBondContact O-CA 3.37Å; L43-S45 WeakPolarHBondContact O-CB 3.49Å; L43-S45 PolarHBondContact O-N 2.67Å; L43-S48 WeakPolarHBondContact CG-OG 3.41Å
44	S	39.6	Very low	44.4	Very low	92 Å²	92	95.9 Å²	95.9	64%	0.643	56%	0.559	S	S	*	*			trans	-56.1	83.2	155.2	156.9	0	0	0	0	106.6	T42 S46	T42-S44 VanDerWaalsContact C-N 3.29Å; T42-S44 PolarHBondContact O-N 3.37Å; S44-S46 PolarHBondContact O-N 3.29Å
45	S	48	Very low	44.9	Very low	29 Å²	29	90.9 Å²	90.9	20%	0.203	55%	0.553	C	S	.	*	H	α-helix	trans	-84.6	-12.8	-147.6	65.6	0	0	0	0	115.9	L43 L49	L43-S45 WeakPolarHBondContact O-CA 3.37Å; L43-S45 WeakPolarHBondContact O-CB 3.49Å; L43-S45 PolarHBondContact O-N 2.67Å; S45-L49 WeakPolarHBondContact O-CD1 3.18Å; S45-L49 WeakPolarHBondContact O-CG 3.32Å
46	S	46.8	Very low	45.6	Very low	69 Å²	69	90.8 Å²	90.8	48%	0.483	54%	0.54	S	S	.	.	H	α-helix	trans	-79.3	-46.2	177.8	67.7	0	0	0	0	111.7	S44 S48	S44-S46 PolarHBondContact O-N 3.29Å; S46-S48 PolarHBondContact O-N 3.35Å
47	K	44.1	Very low	46.4	Very low	177 Å²	177	86.6 Å²	86.6	77%	0.77	53%	0.528	S	S	*	.	H	α-helix	trans	-66.7	-31.7	178.8	-82.2	-173.4	174.8	-177.3	0	113.5	G51	K47-G51 PolarHBondContact O-N 3.38Å
48	S	60.5	Low	47.5	Very low	53 Å²	53	87 Å²	87	37%	0.371	51%	0.512	S	S	.	.	H	α-helix	trans	-75.2	-35.3	-178.4	66.3	0	0	0	0	113.9	L43 S46 G52	L43-S48 WeakPolarHBondContact CG-OG 3.41Å; S46-S48 PolarHBondContact O-N 3.35Å; S48-G52 PolarHBondContact O-N 2.88Å
49	L	66.9	Low	48.5	Very low	53 Å²	53	90 Å²	90	28%	0.277	51%	0.507	S	S	.	.	H	α-helix	trans	-68.6	-44.8	-178.2	-75.3	170.3	0	0	0	111	S45 W53 T124	S45-L49 WeakPolarHBondContact O-CD1 3.18Å; S45-L49 WeakPolarHBondContact O-CG 3.32Å; L49-W53 WeakPolarHBondContact O-CB 3.5Å; L49-W53 PolarHBondContact O-N 3.05Å; L49-T124 HydrophobicContact CB-CG2 4.39Å; L49-T124 HydrophobicContact CD1-CG2 4.45Å
50	C	69.3	Low	49.6	Very low	13 Å²	13	89.1 Å²	89.1	9%	0.088	49%	0.492	C	S	.	.	H	α-helix	trans	-71.4	-39.1	178.7	-60.6	0	0	0	0	112.5	G52 W53 L54 C122	C50-G52 VanDerWaalsContact C-N 3.33Å; C50-G52 PolarHBondContact O-N 3.23Å; C50-W53 PolarHBondContact O-N 3.28Å; C50-L54 HydrophobicContact CB-CD1 4.42Å; C50-L54 WeakPolarHBondContact O-CB 3.31Å; C50-L54 WeakPolarHBondContact O-CD1 3.37Å; C50-L54 PolarHBondContact O-N 3.14Å; C50-C122 HydrophobicContact CB-CB 3.55Å; C50-C122 WeakPolarHBondContact CB-SG 3.47Å; C50-C122 WeakPolarHBondContact SG-CB 2.92Å; C50-C122 CovalentContact SG-SG 2Å; C50-C122 PolarHBondContact SG-SG 2Å
51	G	59.4	Low	50.4	Low	50 Å²	50	88.3 Å²	88.3	52%	0.515	49%	0.486	S	S	.	.	H	α-helix	trans	-65.8	-28.2	-178.3	0	0	0	0	0	115.1	K47 T55	K47-G51 PolarHBondContact O-N 3.38Å; G51-T55 PolarHBondContact O-OG1 2.67Å; G51-T55 VanDerWaalsContact O-OG1 3.08Å
52	G	56.5	Low	51.5	Low	43 Å²	43	81.8 Å²	81.8	44%	0.443	46%	0.46	S	S	.	.	H	α-helix	trans	-90	-18.4	173.3	0	0	0	0	0	114.6	S48 C50 T55	S48-G52 PolarHBondContact O-N 2.88Å; C50-G52 VanDerWaalsContact C-N 3.33Å; C50-G52 PolarHBondContact O-N 3.23Å; G52-T55 PolarHBondContact O-OG1 2.63Å
53	W	51.3	Low	52.7	Low	42 Å²	42	83 Å²	83	16%	0.159	46%	0.461	C	S	.	.	H	α-helix	trans	-93	-37.1	-175.9	-172.1	-92.1	0	0	0	113	L49 C50 T55 Q56 D279 V280 G330 L333	L49-W53 WeakPolarHBondContact O-CB 3.5Å; L49-W53 PolarHBondContact O-N 3.05Å; C50-W53 PolarHBondContact O-N 3.28Å; W53-T55 PolarHBondContact O-N 2.85Å; W53-Q56 PolarHBondContact O-N 2.92Å; W53-D279 PolarHBondContact NE1-O 3.13Å; W53-V280 HydrophobicContact CB-CG2 3.94Å; W53-V280 HydrophobicContact CD2-CG2 4.06Å; W53-V280 HydrophobicContact CG-CG2 3.69Å; W53-G330 WeakPolarHBondContact CH2-O 3.41Å; W53-G330 WeakPolarHBondContact CZ3-O 3.1Å; W53-L333 HydrophobicContact CZ3-CD1 4.39Å
54	L	49.4	Very low	53.7	Low	109 Å²	109	79.4 Å²	79.4	57%	0.571	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-28.1	172.2	-90.6	149.6	0	0	0	112.7	C50 Q56	C50-L54 HydrophobicContact CB-CD1 4.42Å; C50-L54 WeakPolarHBondContact O-CB 3.31Å; C50-L54 WeakPolarHBondContact O-CD1 3.37Å; C50-L54 PolarHBondContact O-N 3.14Å; L54-Q56 VanDerWaalsContact C-N 3.33Å; L54-Q56 PolarHBondContact O-N 3.2Å
55	T	45.3	Very low	54.5	Low	115 Å²	115	83 Å²	83	71%	0.706	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-7.7	-178.6	7.8	0	0	0	0	114.4	G51 G52 W53	G51-T55 PolarHBondContact O-OG1 2.67Å; G51-T55 VanDerWaalsContact O-OG1 3.08Å; G52-T55 PolarHBondContact O-OG1 2.63Å; W53-T55 PolarHBondContact O-N 2.85Å
56	Q	52.7	Low	55	Low	107 Å²	107	83.5 Å²	83.5	50%	0.5	45%	0.454	S	S	.	.	S	Bend	trans	-115.3	-8.3	-166.8	-126.6	165.7	14	0	0	116.7	W53 L54 K58	W53-Q56 PolarHBondContact O-N 2.92Å; L54-Q56 VanDerWaalsContact C-N 3.33Å; L54-Q56 PolarHBondContact O-N 3.2Å; Q56-K58 HydrophobicContact CB-CD 4.07Å; Q56-K58 HydrophobicContact CB-CG 4Å; Q56-K58 HydrophobicContact CG-CD 4.08Å; Q56-K58 HydrophobicContact CG-CG 4.1Å; Q56-K58 WeakPolarHBondContact O-CA 3.5Å; Q56-K58 WeakPolarHBondContact O-CG 3.3Å; Q56-K58 PolarHBondContact O-N 3.1Å
57	Q	51.6	Low	55.4	Low	115 Å²	115	82.5 Å²	82.5	54%	0.537	45%	0.446	S	S	.	.			trans	40.4	33.4	174.1	-81.4	178.6	-46.9	0	0	114.6	W59 E60	Q57-W59 PolarHBondContact O-N 2.99Å; Q57-W59 VanDerWaalsContact O-N 3.08Å; Q57-E60 HydrophobicContact CB-CG 4.37Å; Q57-E60 PolarHBondContact NE2-OE1 3.35Å; Q57-E60 PolarHBondContact O-N 3.07Å
58	K	53.8	Low	56	Low	73 Å²	73	81.2 Å²	81.2	32%	0.317	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-68.7	-17.2	-164.1	-86.5	172.5	165	170.3	0	114.4	Q56 S61	Q56-K58 HydrophobicContact CB-CD 4.07Å; Q56-K58 HydrophobicContact CB-CG 4Å; Q56-K58 HydrophobicContact CG-CD 4.08Å; Q56-K58 HydrophobicContact CG-CG 4.1Å; Q56-K58 WeakPolarHBondContact O-CA 3.5Å; Q56-K58 WeakPolarHBondContact O-CG 3.3Å; Q56-K58 PolarHBondContact O-N 3.1Å; K58-S61 PolarHBondContact O-OG 2.77Å
59	W	53	Low	56.1	Low	115 Å²	115	86.8 Å²	86.8	44%	0.436	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-80.5	-16.5	-179.5	47	-98.2	0	0	0	114.2	Q57 S61 L62 I66	Q57-W59 PolarHBondContact O-N 2.99Å; Q57-W59 VanDerWaalsContact O-N 3.08Å; W59-S61 PolarHBondContact O-N 2.91Å; W59-S61 VanDerWaalsContact O-N 3.15Å; W59-L62 PolarHBondContact O-N 2.93Å; W59-I66 HydrophobicContact CB-CD1 4.46Å
60	E	53	Low	56.2	Low	102 Å²	102	86 Å²	86	48%	0.477	45%	0.454	S	S	.	.	G	3₁₀ helix	trans	-58.6	-31.1	178.9	-68.7	-178.8	-179.2	0	0	111.7	Q57 L62 N63	Q57-E60 HydrophobicContact CB-CG 4.37Å; Q57-E60 PolarHBondContact NE2-OE1 3.35Å; Q57-E60 PolarHBondContact O-N 3.07Å; E60-L62 VanDerWaalsContact C-N 3.28Å; E60-L62 PolarHBondContact O-N 3.25Å; E60-N63 PolarHBondContact O-N 2.76Å
61	S	51.1	Low	57	Low	90 Å²	90	89.4 Å²	89.4	63%	0.629	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-67.2	-22.4	176.7	69.5	0	0	0	0	114.7	K58 W59 N63	K58-S61 PolarHBondContact O-OG 2.77Å; W59-S61 PolarHBondContact O-N 2.91Å; W59-S61 VanDerWaalsContact O-N 3.15Å; S61-N63 VanDerWaalsContact C-N 3.35Å
62	L	56.9	Low	58.5	Low	40 Å²	40	87.3 Å²	87.3	21%	0.209	45%	0.446	C	S	.	.	G	3₁₀ helix	trans	-86.1	-8.2	-176.7	-67.9	174.7	0	0	0	113.2	W59 E60 F64 L326 A331	W59-L62 PolarHBondContact O-N 2.93Å; E60-L62 VanDerWaalsContact C-N 3.28Å; E60-L62 PolarHBondContact O-N 3.25Å; L62-F64 HydrophobicContact CB-CD2 3.54Å; L62-F64 HydrophobicContact CB-CE2 3.71Å; L62-F64 HydrophobicContact CB-CG 4.3Å; L62-F64 HydrophobicContact CD1-CD2 4.15Å; L62-F64 HydrophobicContact CD1-CE2 3.98Å; L62-F64 HydrophobicContact CD2-CE2 4.43Å; L62-F64 HydrophobicContact CG-CD2 4.43Å; L62-F64 HydrophobicContact CG-CE2 4.27Å; L62-F64 PolarHBondContact O-N 2.88Å; L62-L326 HydrophobicContact CD1-CD2 3.72Å; L62-L326 HydrophobicContact CD2-CD2 4.31Å; L62-A331 HydrophobicContact CD1-CB 3.35Å
63	N	58.6	Low	60.3	Low	155 Å²	155	85.5 Å²	85.5	83%	0.829	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	25.4	177.9	-138.8	10.2	0	0	0	113.6	E60 S61	E60-N63 PolarHBondContact O-N 2.76Å; S61-N63 VanDerWaalsContact C-N 3.35Å
64	F	60.8	Low	62.2	Low	26 Å²	26	83.7 Å²	83.7	11%	0.114	42%	0.419	C	S	.	.			trans	-83.3	122.5	168.6	-60.4	-46.9	0	0	0	106.5	L62 I66 K248 L249 Y272 L326	L62-F64 HydrophobicContact CB-CD2 3.54Å; L62-F64 HydrophobicContact CB-CE2 3.71Å; L62-F64 HydrophobicContact CB-CG 4.3Å; L62-F64 HydrophobicContact CD1-CD2 4.15Å; L62-F64 HydrophobicContact CD1-CE2 3.98Å; L62-F64 HydrophobicContact CD2-CE2 4.43Å; L62-F64 HydrophobicContact CG-CD2 4.43Å; L62-F64 HydrophobicContact CG-CE2 4.27Å; L62-F64 PolarHBondContact O-N 2.88Å; F64-I66 HydrophobicContact CB-CD1 3.72Å; F64-I66 HydrophobicContact CB-CG1 3.63Å; F64-I66 HydrophobicContact CD2-CD1 4.33Å; F64-I66 PolarHBondContact O-N 2.91Å; F64-K248 HydrophobicContact CD1-CB 3.95Å; F64-K248 HydrophobicContact CE1-CB 3.65Å; F64-L249 HydrophobicContact CZ-CB 4.37Å; F64-L249 HydrophobicContact CZ-CD1 4.07Å; F64-Y272 HydrophobicContact CD1-CE2 4.19Å; F64-Y272 HydrophobicContact CE1-CE2 4.14Å; F64-Y272 HydrophobicContact CG-CE2 4.48Å; F64-Y272 HydrophobicContact CZ-CE2 4.36Å; F64-L326 HydrophobicContact CE2-CD2 4.23Å
65	N	55.1	Low	64.2	Low	166 Å²	166	79.3 Å²	79.3	89%	0.888	40%	0.396	S	S	*	.			trans	-74.3	69.3	175.9	-150.5	13.8	0	0	0	108.7	S67	N65-S67 PolarHBondContact O-N 3.06Å
66	I	58	Low	66.3	Low	41 Å²	41	76.3 Å²	76.3	21%	0.21	38%	0.375	C	S	.	.			trans	-78.3	113.3	-174.9	-69.1	162.3	0	0	0	108	W59 F64 L275	W59-I66 HydrophobicContact CB-CD1 4.46Å; F64-I66 HydrophobicContact CB-CD1 3.72Å; F64-I66 HydrophobicContact CB-CG1 3.63Å; F64-I66 HydrophobicContact CD2-CD1 4.33Å; F64-I66 PolarHBondContact O-N 2.91Å; I66-L275 WeakPolarHBondContact CG2-O 3.35Å
67	S	55.2	Low	67.9	Low	47 Å²	47	76.5 Å²	76.5	33%	0.329	37%	0.374	S	S	.	.			trans	-106.6	134	172.2	176.1	0	0	0	0	110.7	N65 Q69 T70	N65-S67 PolarHBondContact O-N 3.06Å; S67-Q69 PolarHBondContact O-N 2.95Å; S67-Q69 VanDerWaalsContact O-N 3.12Å; S67-Q69 PolarHBondContact OG-N 2.89Å; S67-T70 WeakPolarHBondContact O-CB 3.49Å; S67-T70 PolarHBondContact O-N 3.15Å; S67-T70 PolarHBondContact O-OG1 3.4Å
68	R	56.7	Low	69.5	Low	150 Å²	150	71.5 Å²	71.5	57%	0.566	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-14.5	172.2	-68.1	-169.9	-171.4	-147.8	-0	113.5	T70 E121 D279	R68-T70 VanDerWaalsContact C-N 3.32Å; R68-E121 PolarHBondContact NH1-O 3.45Å; R68-D279 IonicContact CZ-OD1 2.76Å; R68-D279 IonicContact NE-OD1 3.71Å; R68-D279 IonicContact NH1-OD1 3.54Å; R68-D279 PolarHBondContact NH1-OD1 3.36Å; R68-D279 IonicContact NH1-OD2 3.25Å; R68-D279 IonicContact NH2-OD1 3.61Å; R68-D279 PolarHBondContact NH2-OD1 3.22Å
69	Q	62.5	Low	70.9	Confident	171 Å²	171	69.6 Å²	69.6	80%	0.799	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	9	-178.3	-63.6	148.9	-4.4	0	0	112.2	S67 Q71	S67-Q69 PolarHBondContact O-N 2.95Å; S67-Q69 VanDerWaalsContact O-N 3.12Å; S67-Q69 PolarHBondContact OG-N 2.89Å; Q69-Q71 PolarHBondContact O-N 3.37Å; Q69-Q71 VanDerWaalsContact O-N 3.12Å
70	T	70.3	Confident	72.2	Confident	35 Å²	35	70.8 Å²	70.8	22%	0.215	35%	0.351	C	S	.	.			trans	-68.3	115.3	-174.5	-48.2	0	0	0	0	110.2	S67 R68 L72 F241	S67-T70 WeakPolarHBondContact O-CB 3.49Å; S67-T70 PolarHBondContact O-N 3.15Å; S67-T70 PolarHBondContact O-OG1 3.4Å; R68-T70 VanDerWaalsContact C-N 3.32Å; T70-L72 PolarHBondContact O-N 3.11Å; T70-F241 HydrophobicContact CG2-CE1 3.98Å; T70-F241 HydrophobicContact CG2-CE2 4.3Å; T70-F241 HydrophobicContact CG2-CZ 3.39Å
71	Q	85.9	Confident	73.3	Confident	86 Å²	86	75.9 Å²	75.9	40%	0.402	37%	0.366	S	S	.	.			trans	-72	111	176.6	-65	-175.4	-4.2	0	0	109.4	Q69 F73	Q69-Q71 PolarHBondContact O-N 3.37Å; Q69-Q71 VanDerWaalsContact O-N 3.12Å; Q71-F73 VanDerWaalsContact C-N 3.34Å; Q71-F73 PolarHBondContact O-N 2.82Å
72	L	91.6	Very high	74.5	Confident	6 Å²	6	75.6 Å²	75.6	3%	0.031	35%	0.352	C	S	.	.			trans	-67.3	-35.8	-176.5	-60.5	-170.1	0	0	0	113.2	T70 V113 L237 D238 F241 V273 Y277	T70-L72 PolarHBondContact O-N 3.11Å; L72-V113 HydrophobicContact CD1-CG2 4.46Å; L72-L237 WeakPolarHBondContact O-CD1 3.35Å; L72-D238 PolarHBondContact O-N 2.94Å; L72-F241 HydrophobicContact CD2-CE1 3.94Å; L72-F241 HydrophobicContact CD2-CE2 4.03Å; L72-F241 HydrophobicContact CD2-CZ 3.42Å; L72-F241 VanDerWaalsContact CD2-CZ 3.42Å; L72-V273 HydrophobicContact CD1-CG1 4.05Å; L72-V273 HydrophobicContact CD2-CG1 3.98Å; L72-Y277 HydrophobicContact CD1-CD1 4.25Å; L72-Y277 HydrophobicContact CD1-CD2 3.59Å; L72-Y277 HydrophobicContact CD1-CE2 3.96Å; L72-Y277 HydrophobicContact CD1-CG 3.77Å; L72-Y277 HydrophobicContact CD2-CD2 4.06Å; L72-Y277 HydrophobicContact CD2-CG 4.42Å; L72-Y277 HydrophobicContact CG-CD2 3.86Å; L72-Y277 HydrophobicContact CG-CE2 4.31Å; L72-Y277 HydrophobicContact CG-CG 4.42Å
73	F	93.4	Very high	74.6	Confident	5 Å²	5	82.1 Å²	82.1	2%	0.022	38%	0.381	C	S	.	.	B	Isolated β-bridge	trans	-114.6	143.5	-164.3	-50	-50.1	0	0	0	111.8	Q71 Y111 V113 M170 L191 V193 R235 V236 L237	Q71-F73 VanDerWaalsContact C-N 3.34Å; Q71-F73 PolarHBondContact O-N 2.82Å; F73-Y111 WeakPolarHBondContact CD2-O 3.44Å; F73-V113 HydrophobicContact CD2-CG2 4.28Å; F73-V113 HydrophobicContact CE2-CG2 3.5Å; F73-V113 HydrophobicContact CZ-CG2 4.21Å; F73-M170 HydrophobicContact CZ-SD 4.33Å; F73-L191 HydrophobicContact CE2-CD1 4.2Å; F73-L191 HydrophobicContact CZ-CD1 4.38Å; F73-V193 HydrophobicContact CD1-CG1 4.48Å; F73-V193 HydrophobicContact CE1-CB 4.48Å; F73-V193 HydrophobicContact CE1-CG1 3.82Å; F73-V193 HydrophobicContact CE1-CG2 3.84Å; F73-V193 HydrophobicContact CZ-CG2 3.97Å; F73-R235 HydrophobicContact CB-CB 4.31Å; F73-R235 HydrophobicContact CD1-CB 3.6Å; F73-R235 HydrophobicContact CD1-CG 4.39Å; F73-R235 HydrophobicContact CD2-CB 3.8Å; F73-R235 HydrophobicContact CD2-CG 3.69Å; F73-R235 HydrophobicContact CE1-CB 3.74Å; F73-R235 HydrophobicContact CE1-CG 4.37Å; F73-R235 HydrophobicContact CE2-CB 3.89Å; F73-R235 HydrophobicContact CE2-CG 3.62Å; F73-R235 HydrophobicContact CG-CB 3.64Å; F73-R235 HydrophobicContact CG-CG 4.07Å; F73-R235 HydrophobicContact CZ-CB 3.88Å; F73-R235 HydrophobicContact CZ-CG 3.99Å; F73-V236 CarbonylContact C-O 3.56Å; F73-V236 VanDerWaalsContact CA-O 3.23Å; F73-V236 WeakPolarHBondContact CA-O 3.29Å; F73-L237 HydrophobicContact CD1-CD1 4.43Å; F73-L237 HydrophobicContact CE1-CD1 4.4Å
74	L	92.1	Very high	74.8	Confident	4 Å²	4	82.7 Å²	82.7	2%	0.021	38%	0.378	C	S	.	.			trans	-65.2	137	169.7	-65	177.6	0	0	0	110	I94 L101 L105 V236 D238	L74-I94 HydrophobicContact CD1-CG2 4.19Å; L74-L101 HydrophobicContact CD1-CD1 4.13Å; L74-L101 HydrophobicContact CD1-CD2 3.85Å; L74-L105 HydrophobicContact CB-CD1 4.05Å; L74-L105 HydrophobicContact CB-CD2 4.46Å; L74-L105 WeakPolarHBondContact O-CD2 3.49Å; L74-V236 HydrophobicContact CD1-CG1 4.12Å; L74-V236 PolarHBondContact N-O 2.84Å; L74-D238 HydrophobicContact CD2-CB 4Å; L74-D238 WeakPolarHBondContact CD2-OD2 3.33Å; L74-D238 HydrophobicContact CG-CB 4.28Å
75	K	90.7	Very high	75.5	Confident	17 Å²	17	84.4 Å²	84.4	7%	0.074	39%	0.388	C	S	.	.			trans	-115.9	150.9	177.2	-51.2	-174.1	176.5	-175.1	0	109.1	K77 D78 Y111 D112	K75-K77 HydrophobicContact CB-CG 3.93Å; K75-K77 PolarHBondContact O-N 3.44Å; K75-D78 WeakPolarHBondContact CB-OD2 3.37Å; K75-D78 PolarHBondContact N-OD2 2.91Å; K75-D78 VanDerWaalsContact O-CB 3.26Å; K75-D78 WeakPolarHBondContact O-CB 3.23Å; K75-D78 PolarHBondContact O-N 3.48Å; K75-Y111 HydrophobicContact CB-CG 4.28Å; K75-Y111 HydrophobicContact CG-CG 4.34Å; K75-D112 WeakPolarHBondContact CE-OD1 3.11Å; K75-D112 IonicContact NZ-OD1 2.88Å; K75-D112 PolarHBondContact NZ-OD1 3.36Å
76	L	88.4	Confident	76.7	Confident	51 Å²	51	78.9 Å²	78.9	27%	0.267	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-39	176.1	-173.9	63.9	0	0	0	111.8	D78 F79 F80 L102 L105 Y111	L76-D78 PolarHBondContact O-N 2.98Å; L76-F79 PolarHBondContact O-N 3.43Å; L76-F80 HydrophobicContact CD1-CE2 4.43Å; L76-F80 HydrophobicContact CG-CE2 4.18Å; L76-F80 WeakPolarHBondContact O-CD2 3.48Å; L76-L102 HydrophobicContact CD1-CD2 3.6Å; L76-L105 HydrophobicContact CB-CB 4.47Å; L76-L105 HydrophobicContact CD1-CB 4.32Å; L76-Y111 HydrophobicContact CB-CE1 4.46Å; L76-Y111 HydrophobicContact CB-CE2 4.39Å
77	K	86.3	Confident	78.1	Confident	112 Å²	112	85.6 Å²	85.6	49%	0.487	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-24	177.9	74.3	177.1	-179.2	178	0	114	K75 F79 F80 W81	K75-K77 HydrophobicContact CB-CG 3.93Å; K75-K77 PolarHBondContact O-N 3.44Å; K77-F79 PolarHBondContact O-N 3.26Å; K77-F80 PolarHBondContact O-N 2.94Å; K77-F80 VanDerWaalsContact O-N 3.13Å; K77-W81 PolarHBondContact O-N 3.25Å; K77-W81 VanDerWaalsContact O-N 3.13Å
78	D	85.2	Confident	79.8	Confident	10 Å²	10	86.8 Å²	86.8	5%	0.053	39%	0.393	C	S	.	.	H	α-helix	trans	-63.3	-29.4	-179.1	-67.6	-37.2	0	0	0	112.2	K75 L76 F80 R82	K75-D78 WeakPolarHBondContact CB-OD2 3.37Å; K75-D78 PolarHBondContact N-OD2 2.91Å; K75-D78 VanDerWaalsContact O-CB 3.26Å; K75-D78 WeakPolarHBondContact O-CB 3.23Å; K75-D78 PolarHBondContact O-N 3.48Å; L76-D78 PolarHBondContact O-N 2.98Å; D78-F80 VanDerWaalsContact C-N 3.28Å; D78-F80 PolarHBondContact O-N 3.22Å; D78-R82 HydrophobicContact CB-CG 4.02Å; D78-R82 VanDerWaalsContact O-CB 3.24Å; D78-R82 WeakPolarHBondContact O-CB 3.18Å; D78-R82 WeakPolarHBondContact O-CG 3.46Å; D78-R82 PolarHBondContact O-N 3.27Å; D78-R82 VanDerWaalsContact O-N 3.14Å; D78-R82 IonicContact OD1-CZ 2.55Å; D78-R82 IonicContact OD1-NE 2.93Å; D78-R82 PolarHBondContact OD1-NE 2.84Å; D78-R82 IonicContact OD1-NH2 2.63Å; D78-R82 PolarHBondContact OD1-NH2 3.2Å; D78-R82 IonicContact OD2-CZ 2.58Å; D78-R82 IonicContact OD2-NE 3.62Å; D78-R82 IonicContact OD2-NH2 3.78Å; D78-R82 PolarHBondContact OD2-NH2 3.38Å
79	F	83.5	Confident	81.5	Confident	33 Å²	33	83.3 Å²	83.3	15%	0.145	39%	0.39	C	S	.	.	H	α-helix	trans	-75.3	-16.4	179.6	-71.4	-94.1	0	0	0	113.8	L76 K77 L85 I94 E98 L101 L102 L105	L76-F79 PolarHBondContact O-N 3.43Å; K77-F79 PolarHBondContact O-N 3.26Å; F79-L85 HydrophobicContact CD1-CD1 4.4Å; F79-I94 HydrophobicContact CE1-CD1 3.82Å; F79-I94 HydrophobicContact CZ-CD1 4.07Å; F79-E98 HydrophobicContact CD1-CB 4.28Å; F79-E98 HydrophobicContact CE1-CB 3.89Å; F79-E98 HydrophobicContact CE1-CG 4.16Å; F79-L101 HydrophobicContact CE1-CB 4.18Å; F79-L101 HydrophobicContact CE1-CD1 4.42Å; F79-L101 HydrophobicContact CE2-CB 4.26Å; F79-L101 HydrophobicContact CZ-CB 3.52Å; F79-L101 HydrophobicContact CZ-CD1 3.84Å; F79-L101 HydrophobicContact CZ-CG 4.27Å; F79-L102 HydrophobicContact CB-CD2 3.69Å; F79-L102 HydrophobicContact CD1-CD2 4.04Å; F79-L102 HydrophobicContact CD1-CG 4.14Å; F79-L102 HydrophobicContact CD2-CD2 3.93Å; F79-L102 HydrophobicContact CG-CD2 3.59Å; F79-L102 HydrophobicContact CG-CG 4.2Å; F79-L105 HydrophobicContact CD2-CD1 4.26Å; F79-L105 HydrophobicContact CE2-CD1 3.55Å; F79-L105 HydrophobicContact CZ-CD1 4.39Å
80	F	80.3	Confident	83	Confident	139 Å²	139	76.1 Å²	76.1	61%	0.61	36%	0.357	S	S	*	.	H	α-helix	trans	-102.6	-31.1	-179.6	-59.5	-78.8	0	0	0	112.2	L76 K77 D78	L76-F80 HydrophobicContact CD1-CE2 4.43Å; L76-F80 HydrophobicContact CG-CE2 4.18Å; L76-F80 WeakPolarHBondContact O-CD2 3.48Å; K77-F80 PolarHBondContact O-N 2.94Å; K77-F80 VanDerWaalsContact O-N 3.13Å; D78-F80 VanDerWaalsContact C-N 3.28Å; D78-F80 PolarHBondContact O-N 3.22Å
81	W	76.4	Confident	84.1	Confident	209 Å²	209	75 Å²	75	79%	0.792	35%	0.349	S	S	*	.	H	α-helix	trans	-121	-9.7	-167.3	-50.4	111.7	0	0	0	115.3	K77 E83	K77-W81 PolarHBondContact O-N 3.25Å; K77-W81 VanDerWaalsContact O-N 3.13Å; W81-E83 PolarHBondContact O-N 3.46Å
82	R	75.6	Confident	84.4	Confident	85 Å²	85	71.8 Å²	71.8	32%	0.321	33%	0.334	S	S	.	.			trans	-79.9	114.2	172.6	-69.4	-173	-174.7	-175.6	3.7	109.4	D78 H84 L85 D238	D78-R82 HydrophobicContact CB-CG 4.02Å; D78-R82 VanDerWaalsContact O-CB 3.24Å; D78-R82 WeakPolarHBondContact O-CB 3.18Å; D78-R82 WeakPolarHBondContact O-CG 3.46Å; D78-R82 PolarHBondContact O-N 3.27Å; D78-R82 VanDerWaalsContact O-N 3.14Å; D78-R82 IonicContact OD1-CZ 2.55Å; D78-R82 IonicContact OD1-NE 2.93Å; D78-R82 PolarHBondContact OD1-NE 2.84Å; D78-R82 IonicContact OD1-NH2 2.63Å; D78-R82 PolarHBondContact OD1-NH2 3.2Å; D78-R82 IonicContact OD2-CZ 2.58Å; D78-R82 IonicContact OD2-NE 3.62Å; D78-R82 IonicContact OD2-NH2 3.78Å; D78-R82 PolarHBondContact OD2-NH2 3.38Å; R82-H84 PolarHBondContact O-N 3.42Å; R82-H84 VanDerWaalsContact O-N 3.17Å; R82-L85 HydrophobicContact CB-CD2 3.98Å; R82-D238 IonicContact CZ-OD2 2.67Å; R82-D238 IonicContact NH1-OD2 3.43Å; R82-D238 PolarHBondContact NH1-OD2 2.66Å; R82-D238 IonicContact NH2-OD2 3.42Å
83	E	59.2	Low	84.4	Confident	176 Å²	176	71.6 Å²	71.6	82%	0.822	33%	0.334	S	S	*	.	S	Bend	trans	-59.7	-27.2	-179.1	-66.7	-174.1	161.2	0	0	113.5	W81	W81-E83 PolarHBondContact O-N 3.46Å
84	H	63.8	Low	84.4	Confident	167 Å²	167	71.8 Å²	71.8	77%	0.773	34%	0.335	S	S	*	.			trans	-134.6	85.2	-176.1	-59.5	-37.2	0	0	0	112	R82	R82-H84 PolarHBondContact O-N 3.42Å; R82-H84 VanDerWaalsContact O-N 3.17Å
85	L	75.4	Confident	84.4	Confident	62 Å²	62	77.5 Å²	77.5	33%	0.325	36%	0.359	S	S	.	.			trans	-64.8	144.4	167.3	-63.4	178.9	0	0	0	110.6	F79 R82 K87 I94	F79-L85 HydrophobicContact CD1-CD1 4.4Å; R82-L85 HydrophobicContact CB-CD2 3.98Å; L85-K87 PolarHBondContact O-N 3.17Å; L85-I94 HydrophobicContact CB-CD1 4.08Å; L85-I94 HydrophobicContact CD1-CD1 4.09Å; L85-I94 HydrophobicContact CD2-CD1 3.82Å; L85-I94 HydrophobicContact CG-CD1 4.19Å
86	S	80	Confident	84.5	Confident	51 Å²	51	79.1 Å²	79.1	36%	0.357	38%	0.38	S	S	.	.			trans	-57.2	129.2	-179.4	178.6	0	0	0	0	111.2	L88 G93	S86-L88 PolarHBondContact O-N 3.26Å; S86-L88 PolarHBondContact OG-N 3.46Å; S86-G93 WeakPolarHBondContact OG-CA 3.5Å
87	K	87.3	Confident	84.8	Confident	182 Å²	182	76.8 Å²	76.8	79%	0.791	37%	0.368	S	S	*	.	S	Bend	trans	-78.4	-3.8	177.8	-63.1	-179.4	-179.6	176.6	0	113.1	L85 K95	L85-K87 PolarHBondContact O-N 3.17Å; K87-K95 WeakPolarHBondContact O-CD 3.25Å
88	L	90.7	Very high	85.1	Confident	72 Å²	72	74.4 Å²	74.4	38%	0.377	36%	0.359	S	S	.	.	S	Bend	trans	-88.5	145.6	178	-61.5	176.7	0	0	0	110.5	S86 G93 I94 K95	S86-L88 PolarHBondContact O-N 3.26Å; S86-L88 PolarHBondContact OG-N 3.46Å; L88-G93 CarbonylContact O-C 3.16Å; L88-G93 WeakPolarHBondContact O-CA 3.45Å; L88-I94 PolarHBondContact O-N 2.62Å; L88-K95 VanDerWaalsContact O-CB 3.3Å; L88-K95 WeakPolarHBondContact O-CB 3.47Å; L88-K95 PolarHBondContact O-N 3.12Å
89	P	93	Very high	85.4	Confident	77 Å²	77	79.4 Å²	79.4	50%	0.5	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-72.5	171.6	168.6	33.1	-35.2	0	0	0	110.9	Y92 G93	P89-Y92 PolarHBondContact O-N 3.19Å; P89-Y92 VanDerWaalsContact O-N 3.08Å; P89-G93 CarbonylContact C-O 3.58Å; P89-G93 PolarHBondContact O-N 2.82Å
90	L	93.4	Very high	86	Confident	20 Å²	20	79.2 Å²	79.2	11%	0.105	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	142.2	165.2	-69.4	172.2	0	0	0	110	G93 S97 P196 L202 P239	L90-G93 WeakPolarHBondContact CA-O 3.19Å; L90-G93 VanDerWaalsContact CD2-O 3.25Å; L90-G93 WeakPolarHBondContact CD2-O 3.47Å; L90-G93 PolarHBondContact N-O 2.69Å; L90-S97 WeakPolarHBondContact CD1-OG 3.47Å; L90-P196 HydrophobicContact CD1-CB 4.22Å; L90-P196 HydrophobicContact CD2-CB 3.86Å; L90-P196 HydrophobicContact CD2-CG 3.85Å; L90-P196 WeakPolarHBondContact CD2-O 3.39Å; L90-L202 HydrophobicContact CD1-CD1 3.77Å; L90-L202 HydrophobicContact CD1-CG 4.35Å; L90-P239 HydrophobicContact CD2-CB 4.49Å; L90-P239 HydrophobicContact CD2-CG 3.83Å
91	P	93.3	Very high	86.6	Confident	10 Å²	10	72.6 Å²	72.6	7%	0.065	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	cis	-94.9	7.3	11.8	42.6	-42.5	0	0	0	114.2	F197 L242	P91-F197 HydrophobicContact CB-CB 4.44Å; P91-F197 HydrophobicContact CB-CD1 4.18Å; P91-F197 WeakPolarHBondContact CB-O 3.41Å; P91-L242 HydrophobicContact CB-CD2 3.42Å; P91-L242 VanDerWaalsContact CB-CD2 3.42Å; P91-L242 HydrophobicContact CG-CD2 3.79Å; P91-L242 WeakPolarHBondContact O-CD2 3.37Å
92	Y	92.5	Very high	87.4	Confident	20 Å²	20	65.1 Å²	65.1	8%	0.078	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-4.6	-170.6	-61	-47.9	0	0	0	114.7	P89 L242 H243 A246 L253 I260 V262 H263	P89-Y92 PolarHBondContact O-N 3.19Å; P89-Y92 VanDerWaalsContact O-N 3.08Å; Y92-L242 HydrophobicContact CD1-CD2 4.22Å; Y92-L242 HydrophobicContact CD1-CG 4.33Å; Y92-L242 HydrophobicContact CE1-CD2 4.08Å; Y92-L242 HydrophobicContact CE1-CG 4.14Å; Y92-H243 HydrophobicContact CD1-CB 4.12Å; Y92-H243 HydrophobicContact CG-CB 4.47Å; Y92-A246 HydrophobicContact CE1-CB 3.69Å; Y92-L253 HydrophobicContact CD2-CD2 4.38Å; Y92-L253 HydrophobicContact CE1-CD2 4.47Å; Y92-L253 HydrophobicContact CE2-CD2 3.73Å; Y92-I260 HydrophobicContact CE2-CG2 4.1Å; Y92-V262 PolarHBondContact OH-O 2.85Å; Y92-H263 AromaticContact CE2-ND1 3.9Å; Y92-H263 AromaticContact CZ-ND1 3.53Å; Y92-H263 PolarHBondContact OH-ND1 3.25Å
93	G	91.8	Very high	88.2	Confident	2 Å²	2	65 Å²	65	2%	0.021	33%	0.334	C	S	.	.	S	Bend	trans	-163.1	-162	174.8	0	0	0	0	0	109.5	S86 L88 P89 L90	S86-G93 WeakPolarHBondContact OG-CA 3.5Å; L88-G93 CarbonylContact O-C 3.16Å; L88-G93 WeakPolarHBondContact O-CA 3.45Å; P89-G93 CarbonylContact C-O 3.58Å; P89-G93 PolarHBondContact O-N 2.82Å; L90-G93 WeakPolarHBondContact CA-O 3.19Å; L90-G93 VanDerWaalsContact CD2-O 3.25Å; L90-G93 WeakPolarHBondContact CD2-O 3.47Å; L90-G93 PolarHBondContact N-O 2.69Å
94	I	92.6	Very high	89.9	Confident	9 Å²	9	56.9 Å²	56.9	5%	0.046	30%	0.296	C	S	.	.			trans	-119.8	0.6	-173.1	62.4	169.9	0	0	0	113.7	L74 F79 L85 L88 G96 S97 E98 L101 P239	L74-I94 HydrophobicContact CD1-CG2 4.19Å; F79-I94 HydrophobicContact CE1-CD1 3.82Å; F79-I94 HydrophobicContact CZ-CD1 4.07Å; L85-I94 HydrophobicContact CB-CD1 4.08Å; L85-I94 HydrophobicContact CD1-CD1 4.09Å; L85-I94 HydrophobicContact CD2-CD1 3.82Å; L85-I94 HydrophobicContact CG-CD1 4.19Å; L88-I94 PolarHBondContact O-N 2.62Å; I94-G96 PolarHBondContact O-N 3.08Å; I94-S97 WeakPolarHBondContact O-CB 3.46Å; I94-S97 PolarHBondContact O-N 3.2Å; I94-E98 HydrophobicContact CD1-CG 4.44Å; I94-L101 HydrophobicContact CB-CD1 3.67Å; I94-L101 HydrophobicContact CG2-CD1 3.5Å; I94-P239 HydrophobicContact CG2-CG 3.91Å
95	K	92.1	Very high	91.2	Very high	124 Å²	124	49.1 Å²	49.1	54%	0.539	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	126.4	-174.6	-175.4	177	174.8	-177.7	0	111.4	K87 L88 S97 E98	K87-K95 WeakPolarHBondContact O-CD 3.25Å; L88-K95 VanDerWaalsContact O-CB 3.3Å; L88-K95 WeakPolarHBondContact O-CB 3.47Å; L88-K95 PolarHBondContact O-N 3.12Å; K95-S97 PolarHBondContact O-N 3.12Å; K95-E98 VanDerWaalsContact CA-OE1 3.31Å; K95-E98 WeakPolarHBondContact CA-OE1 3.42Å
96	G	92.8	Very high	91.9	Very high	50 Å²	50	49 Å²	49	52%	0.515	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	78	-0.4	-179.4	0	0	0	0	0	115	I94 E98 Q199	I94-G96 PolarHBondContact O-N 3.08Å; G96-E98 WeakPolarHBondContact CA-OE2 3.23Å; G96-E98 VanDerWaalsContact N-CD 3.3Å; G96-E98 PolarHBondContact N-OE1 2.85Å; G96-E98 VanDerWaalsContact N-OE1 3.11Å; G96-E98 PolarHBondContact N-OE2 2.99Å; G96-Q199 PolarHBondContact O-NE2 2.82Å
97	S	94.8	Very high	92	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.014	27%	0.267	C	S	.	.			trans	-113.4	2.7	-179.8	-49.8	0	0	0	0	113	L90 I94 K95 L99 L100 L101 Q199	L90-S97 WeakPolarHBondContact CD1-OG 3.47Å; I94-S97 WeakPolarHBondContact O-CB 3.46Å; I94-S97 PolarHBondContact O-N 3.2Å; K95-S97 PolarHBondContact O-N 3.12Å; S97-L99 PolarHBondContact O-N 3.19Å; S97-L100 PolarHBondContact O-N 3.48Å; S97-L100 VanDerWaalsContact O-N 3.15Å; S97-L101 WeakPolarHBondContact O-CG 3.48Å; S97-L101 PolarHBondContact O-N 3.14Å; S97-Q199 WeakPolarHBondContact OG-CG 3.3Å
98	E	93	Very high	91.3	Very high	62 Å²	62	41 Å²	41	29%	0.29	23%	0.233	S	C	.	.	H	α-helix	trans	-60.1	-46	-170.1	-57.7	87	163.8	0	0	111.5	F79 I94 K95 G96 L100 L101 L102	F79-E98 HydrophobicContact CD1-CB 4.28Å; F79-E98 HydrophobicContact CE1-CB 3.89Å; F79-E98 HydrophobicContact CE1-CG 4.16Å; I94-E98 HydrophobicContact CD1-CG 4.44Å; K95-E98 VanDerWaalsContact CA-OE1 3.31Å; K95-E98 WeakPolarHBondContact CA-OE1 3.42Å; G96-E98 WeakPolarHBondContact CA-OE2 3.23Å; G96-E98 VanDerWaalsContact N-CD 3.3Å; G96-E98 PolarHBondContact N-OE1 2.85Å; G96-E98 VanDerWaalsContact N-OE1 3.11Å; G96-E98 PolarHBondContact N-OE2 2.99Å; E98-L100 VanDerWaalsContact C-N 3.31Å; E98-L100 PolarHBondContact O-N 2.71Å; E98-L101 PolarHBondContact O-N 2.94Å; E98-L102 WeakPolarHBondContact O-CB 3.43Å; E98-L102 WeakPolarHBondContact O-CG 3.21Å; E98-L102 PolarHBondContact O-N 2.95Å
99	L	92.7	Very high	90.1	Very high	115 Å²	115	42.6 Å²	42.6	60%	0.602	25%	0.25	S	C	*	.	H	α-helix	trans	-63.9	-36	179.2	-176.5	63	0	0	0	112.6	S97 K103	S97-L99 PolarHBondContact O-N 3.19Å; L99-K103 WeakPolarHBondContact O-CG 3.38Å; L99-K103 PolarHBondContact O-N 2.84Å
100	L	94.8	Very high	89.4	Confident	29 Å²	29	42.2 Å²	42.2	15%	0.152	24%	0.243	C	C	.	.	H	α-helix	trans	-70.6	-42.3	175.8	-71.8	172.8	0	0	0	110.8	S97 E98 K103 V104 Q199 L202 K206	S97-L100 PolarHBondContact O-N 3.48Å; S97-L100 VanDerWaalsContact O-N 3.15Å; E98-L100 VanDerWaalsContact C-N 3.31Å; E98-L100 PolarHBondContact O-N 2.71Å; L100-K103 PolarHBondContact O-N 3.46Å; L100-V104 WeakPolarHBondContact O-CG2 3.43Å; L100-V104 PolarHBondContact O-N 3.34Å; L100-Q199 HydrophobicContact CD1-CB 4.23Å; L100-L202 HydrophobicContact CB-CB 3.92Å; L100-L202 HydrophobicContact CB-CD1 4.14Å; L100-L202 HydrophobicContact CD1-CB 4.33Å; L100-K206 HydrophobicContact CD2-CD 3.92Å
101	L	94.1	Very high	88.6	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.4	-46.2	175.2	-74.6	165.2	0	0	0	111.4	L74 F79 I94 S97 E98 K103 V104 L105 L202 V236	L74-L101 HydrophobicContact CD1-CD1 4.13Å; L74-L101 HydrophobicContact CD1-CD2 3.85Å; F79-L101 HydrophobicContact CE1-CB 4.18Å; F79-L101 HydrophobicContact CE1-CD1 4.42Å; F79-L101 HydrophobicContact CE2-CB 4.26Å; F79-L101 HydrophobicContact CZ-CB 3.52Å; F79-L101 HydrophobicContact CZ-CD1 3.84Å; F79-L101 HydrophobicContact CZ-CG 4.27Å; I94-L101 HydrophobicContact CB-CD1 3.67Å; I94-L101 HydrophobicContact CG2-CD1 3.5Å; S97-L101 WeakPolarHBondContact O-CG 3.48Å; S97-L101 PolarHBondContact O-N 3.14Å; E98-L101 PolarHBondContact O-N 2.94Å; L101-K103 VanDerWaalsContact C-N 3.32Å; L101-K103 PolarHBondContact O-N 2.92Å; L101-V104 PolarHBondContact O-N 3.48Å; L101-L105 HydrophobicContact CB-CD1 4.49Å; L101-L105 VanDerWaalsContact O-CB 3.27Å; L101-L105 WeakPolarHBondContact O-CB 3.47Å; L101-L105 WeakPolarHBondContact O-CG 3.3Å; L101-L105 PolarHBondContact O-N 3.07Å; L101-L202 HydrophobicContact CD1-CD1 4.4Å; L101-L202 HydrophobicContact CD2-CD1 3.73Å; L101-L202 HydrophobicContact CD2-CD2 3.61Å; L101-L202 HydrophobicContact CD2-CG 4.32Å; L101-L202 HydrophobicContact CG-CD1 3.63Å; L101-L202 HydrophobicContact CG-CD2 4.4Å; L101-V236 HydrophobicContact CD2-CG1 3.99Å
102	L	92.8	Very high	88.2	Confident	52 Å²	52	46.5 Å²	46.5	27%	0.272	26%	0.263	S	S	.	.	H	α-helix	trans	-55.8	-45.8	176	-75.3	174.4	0	0	0	111.7	L76 F79 E98 L105 A106	L76-L102 HydrophobicContact CD1-CD2 3.6Å; F79-L102 HydrophobicContact CB-CD2 3.69Å; F79-L102 HydrophobicContact CD1-CD2 4.04Å; F79-L102 HydrophobicContact CD1-CG 4.14Å; F79-L102 HydrophobicContact CD2-CD2 3.93Å; F79-L102 HydrophobicContact CG-CD2 3.59Å; F79-L102 HydrophobicContact CG-CG 4.2Å; E98-L102 WeakPolarHBondContact O-CB 3.43Å; E98-L102 WeakPolarHBondContact O-CG 3.21Å; E98-L102 PolarHBondContact O-N 2.95Å; L102-L105 PolarHBondContact O-N 2.82Å; L102-A106 VanDerWaalsContact O-CB 3.23Å; L102-A106 WeakPolarHBondContact O-CB 3.47Å; L102-A106 PolarHBondContact O-N 2.77Å
103	K	93.1	Very high	88	Confident	84 Å²	84	46 Å²	46	37%	0.365	26%	0.262	S	S	.	.	H	α-helix	trans	-64.7	-44.2	178	-70.7	-179.1	-178	-169.9	0	112.4	L99 L100 L101 K206 Y210	L99-K103 WeakPolarHBondContact O-CG 3.38Å; L99-K103 PolarHBondContact O-N 2.84Å; L100-K103 PolarHBondContact O-N 3.46Å; L101-K103 VanDerWaalsContact C-N 3.32Å; L101-K103 PolarHBondContact O-N 2.92Å; K103-K206 HydrophobicContact CB-CD 4.24Å; K103-K206 HydrophobicContact CB-CG 4.26Å; K103-K206 HydrophobicContact CD-CD 3.77Å; K103-Y210 HydrophobicContact CB-CE2 4.17Å; K103-Y210 WeakPolarHBondContact O-CE2 3.36Å; K103-Y210 PolarHBondContact O-OH 2.94Å
104	V	93.1	Very high	87.7	Confident	5 Å²	5	47.7 Å²	47.7	3%	0.03	27%	0.272	C	S	.	.	H	α-helix	trans	-63.6	-44.4	177.1	167.2	0	0	0	0	110.9	L100 L101 L205 K206 V236	L100-V104 WeakPolarHBondContact O-CG2 3.43Å; L100-V104 PolarHBondContact O-N 3.34Å; L101-V104 PolarHBondContact O-N 3.48Å; V104-L205 HydrophobicContact CG1-CD2 3.54Å; V104-L205 HydrophobicContact CG1-CG 4.29Å; V104-L205 HydrophobicContact CG2-CB 4.45Å; V104-L205 HydrophobicContact CG2-CD2 4.43Å; V104-L205 HydrophobicContact CG2-CG 4.43Å; V104-K206 HydrophobicContact CG2-CB 4.17Å; V104-V236 HydrophobicContact CG1-CG2 3.86Å
105	L	91.8	Very high	87.5	Confident	4 Å²	4	50.2 Å²	50.2	2%	0.021	30%	0.295	C	S	.	.	H	α-helix	trans	-73.2	-30.1	-177	-67.5	171.8	0	0	0	112.5	L74 L76 F79 L101 L102 V107 S108 Y111 V236	L74-L105 HydrophobicContact CB-CD1 4.05Å; L74-L105 HydrophobicContact CB-CD2 4.46Å; L74-L105 WeakPolarHBondContact O-CD2 3.49Å; L76-L105 HydrophobicContact CB-CB 4.47Å; L76-L105 HydrophobicContact CD1-CB 4.32Å; F79-L105 HydrophobicContact CD2-CD1 4.26Å; F79-L105 HydrophobicContact CE2-CD1 3.55Å; F79-L105 HydrophobicContact CZ-CD1 4.39Å; L101-L105 HydrophobicContact CB-CD1 4.49Å; L101-L105 VanDerWaalsContact O-CB 3.27Å; L101-L105 WeakPolarHBondContact O-CB 3.47Å; L101-L105 WeakPolarHBondContact O-CG 3.3Å; L101-L105 PolarHBondContact O-N 3.07Å; L102-L105 PolarHBondContact O-N 2.82Å; L105-V107 PolarHBondContact O-N 3.47Å; L105-V107 VanDerWaalsContact O-N 3.15Å; L105-S108 PolarHBondContact O-N 2.97Å; L105-S108 VanDerWaalsContact O-N 3.13Å; L105-Y111 HydrophobicContact CB-CE1 4.01Å; L105-Y111 HydrophobicContact CD2-CD1 4.04Å; L105-Y111 HydrophobicContact CD2-CE1 3.96Å; L105-Y111 VanDerWaalsContact O-CE1 3.23Å; L105-Y111 WeakPolarHBondContact O-CE1 3.44Å; L105-Y111 PolarHBondContact O-OH 3.25Å; L105-V236 HydrophobicContact CD2-CB 4.28Å; L105-V236 HydrophobicContact CD2-CG2 3.98Å
106	A	89.3	Confident	87.3	Confident	58 Å²	58	50.6 Å²	50.6	48%	0.479	30%	0.296	S	S	.	.	H	α-helix	trans	-61.1	-23.2	-179.4	0	0	0	0	0	114.1	L102	L102-A106 VanDerWaalsContact O-CB 3.23Å; L102-A106 WeakPolarHBondContact O-CB 3.47Å; L102-A106 PolarHBondContact O-N 2.77Å
107	V	82.1	Confident	87.1	Confident	55 Å²	55	48.6 Å²	48.6	33%	0.333	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-15.2	-179.6	-171.7	0	0	0	0	112.4	L105 S109 I209 Y210	L105-V107 PolarHBondContact O-N 3.47Å; L105-V107 VanDerWaalsContact O-N 3.15Å; V107-S109 PolarHBondContact O-N 3.37Å; V107-I209 HydrophobicContact CB-CG2 3.73Å; V107-I209 HydrophobicContact CG1-CG2 3.53Å; V107-I209 HydrophobicContact CG2-CG2 3.64Å; V107-Y210 HydrophobicContact CG2-CE1 4.27Å; V107-Y210 HydrophobicContact CG2-CE2 3.98Å; V107-Y210 WeakPolarHBondContact CG2-OH 3.25Å
108	S	73	Confident	86.7	Confident	12 Å²	12	52.2 Å²	52.2	8%	0.084	29%	0.29	C	S	.	.			trans	-77.4	119.6	176	-164.2	0	0	0	0	110	L105 N110 Y111 I234	L105-S108 PolarHBondContact O-N 2.97Å; L105-S108 VanDerWaalsContact O-N 3.13Å; S108-N110 VanDerWaalsContact C-N 3.26Å; S108-N110 PolarHBondContact O-N 3.18Å; S108-N110 PolarHBondContact OG-O 3.34Å; S108-Y111 PolarHBondContact O-OH 3Å; S108-Y111 VanDerWaalsContact O-OH 3.04Å; S108-I234 PolarHBondContact OG-O 3.3Å
109	S	66.9	Low	86.4	Confident	104 Å²	104	55.5 Å²	55.5	73%	0.727	31%	0.31	S	S	*	.	S	Bend	trans	-77.9	-11.5	176.8	51.1	0	0	0	0	113.4	V107	V107-S109 PolarHBondContact O-N 3.37Å
110	N	77.6	Confident	86.1	Confident	69 Å²	69	52.7 Å²	52.7	37%	0.369	30%	0.295	S	S	.	.			trans	-148.1	135.6	-179.8	-173.4	-14.6	0	0	0	109.6	S108 D112 R235	S108-N110 VanDerWaalsContact C-N 3.26Å; S108-N110 PolarHBondContact O-N 3.18Å; S108-N110 PolarHBondContact OG-O 3.34Å; N110-D112 PolarHBondContact OD1-N 3.4Å; N110-R235 PolarHBondContact O-NE 3.35Å; N110-R235 PolarHBondContact O-NH1 3.23Å; N110-R235 PolarHBondContact O-NH2 3.34Å; N110-R235 PolarHBondContact OD1-NH2 3.23Å
111	Y	77.4	Confident	85.6	Confident	44 Å²	44	60.1 Å²	60.1	17%	0.173	33%	0.329	C	S	.	.			trans	-115.2	-4	-179.8	-50.1	-81.9	0	0	0	112.7	F73 K75 L76 L105 S108 R235	F73-Y111 WeakPolarHBondContact CD2-O 3.44Å; K75-Y111 HydrophobicContact CB-CG 4.28Å; K75-Y111 HydrophobicContact CG-CG 4.34Å; L76-Y111 HydrophobicContact CB-CE1 4.46Å; L76-Y111 HydrophobicContact CB-CE2 4.39Å; L105-Y111 HydrophobicContact CB-CE1 4.01Å; L105-Y111 HydrophobicContact CD2-CD1 4.04Å; L105-Y111 HydrophobicContact CD2-CE1 3.96Å; L105-Y111 VanDerWaalsContact O-CE1 3.23Å; L105-Y111 WeakPolarHBondContact O-CE1 3.44Å; L105-Y111 PolarHBondContact O-OH 3.25Å; S108-Y111 PolarHBondContact O-OH 3Å; S108-Y111 VanDerWaalsContact O-OH 3.04Å; Y111-R235 VanDerWaalsContact C-NE 3.3Å; Y111-R235 WeakPolarHBondContact O-CD 3.42Å
112	D	84.8	Confident	85.2	Confident	77 Å²	77	61 Å²	61	41%	0.412	34%	0.336	S	S	.	.	S	Bend	trans	-98.1	158.5	-172.5	-65.1	-57.1	0	0	0	110.9	K75 N110 R235	K75-D112 WeakPolarHBondContact CE-OD1 3.11Å; K75-D112 IonicContact NZ-OD1 2.88Å; K75-D112 PolarHBondContact NZ-OD1 3.36Å; N110-D112 PolarHBondContact OD1-N 3.4Å; D112-R235 PolarHBondContact O-NE 2.92Å; D112-R235 PolarHBondContact O-NH2 2.92Å
113	V	86.4	Confident	85	Confident	10 Å²	10	59.3 Å²	59.3	6%	0.061	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-70.3	144.3	164.7	-171.4	0	0	0	0	107.8	L72 F73 A115 I117 E118 M170 L191 Y277	L72-V113 HydrophobicContact CD1-CG2 4.46Å; F73-V113 HydrophobicContact CD2-CG2 4.28Å; F73-V113 HydrophobicContact CE2-CG2 3.5Å; F73-V113 HydrophobicContact CZ-CG2 4.21Å; V113-A115 PolarHBondContact O-N 3.03Å; V113-I117 HydrophobicContact CG1-CB 4.01Å; V113-I117 HydrophobicContact CG1-CD1 3.99Å; V113-I117 HydrophobicContact CG1-CG2 4.12Å; V113-E118 HydrophobicContact CB-CG 4.08Å; V113-E118 VanDerWaalsContact CB-OE1 3.31Å; V113-E118 WeakPolarHBondContact CB-OE1 3.41Å; V113-M170 HydrophobicContact CB-CE 4.49Å; V113-M170 HydrophobicContact CG1-CE 3.69Å; V113-M170 HydrophobicContact CG2-CE 3.89Å; V113-L191 HydrophobicContact CG1-CD1 4.26Å; V113-Y277 WeakPolarHBondContact CB-OH 3.26Å; V113-Y277 WeakPolarHBondContact CG1-OH 3.36Å; V113-Y277 HydrophobicContact CG2-CE2 4.18Å
114	P	87.4	Confident	85	Confident	36 Å²	36	55.4 Å²	55.4	23%	0.234	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-50.5	135.2	177.8	-32	36.4	0	0	0	113.4	K116 I117 E118	P114-K116 HydrophobicContact CB-CG 4.05Å; P114-K116 PolarHBondContact O-N 3.13Å; P114-I117 PolarHBondContact O-N 3.42Å; P114-E118 PolarHBondContact O-N 2.94Å; P114-E118 VanDerWaalsContact O-N 3.14Å
115	A	86.6	Confident	85.2	Confident	62 Å²	62	55.2 Å²	55.2	51%	0.512	31%	0.307	S	S	.	.	H	α-helix	trans	-53.8	-31.8	-179	0	0	0	0	0	113.4	V113 I117 E118 N119	V113-A115 PolarHBondContact O-N 3.03Å; A115-I117 PolarHBondContact O-N 3.45Å; A115-E118 PolarHBondContact O-N 3.3Å; A115-N119 VanDerWaalsContact O-CB 3.26Å; A115-N119 WeakPolarHBondContact O-CB 3.46Å; A115-N119 PolarHBondContact O-N 2.84Å; A115-N119 PolarHBondContact O-ND2 2.88Å
116	K	88.6	Confident	85.5	Confident	133 Å²	133	55 Å²	55	58%	0.578	31%	0.306	S	S	*	.	H	α-helix	trans	-58.9	-27.2	175.3	73.7	179.5	-179.1	175.4	0	113.8	P114 L120 D189	P114-K116 HydrophobicContact CB-CG 4.05Å; P114-K116 PolarHBondContact O-N 3.13Å; K116-L120 WeakPolarHBondContact O-CG 3.26Å; K116-D189 IonicContact NZ-OD2 2.61Å; K116-D189 PolarHBondContact NZ-OD2 3.41Å
117	I	88.6	Confident	85.9	Confident	8 Å²	8	52.2 Å²	52.2	4%	0.041	28%	0.283	C	S	.	.	H	α-helix	trans	-93.8	-42	177.3	-58.2	172.4	0	0	0	109.6	V113 P114 A115 N119 L120 R123 V148 T169 Y277	V113-I117 HydrophobicContact CG1-CB 4.01Å; V113-I117 HydrophobicContact CG1-CD1 3.99Å; V113-I117 HydrophobicContact CG1-CG2 4.12Å; P114-I117 PolarHBondContact O-N 3.42Å; A115-I117 PolarHBondContact O-N 3.45Å; I117-N119 VanDerWaalsContact C-N 3.28Å; I117-N119 PolarHBondContact O-N 3.15Å; I117-L120 HydrophobicContact CG2-CD1 4.43Å; I117-L120 WeakPolarHBondContact O-CB 3.37Å; I117-L120 WeakPolarHBondContact O-CG 3.33Å; I117-L120 PolarHBondContact O-N 3.29Å; I117-R123 PolarHBondContact O-NE 3.08Å; I117-R123 PolarHBondContact O-NH2 3.39Å; I117-V148 HydrophobicContact CG2-CG2 3.6Å; I117-T169 HydrophobicContact CD1-CG2 3.34Å; I117-Y277 HydrophobicContact CG2-CE1 4.11Å; I117-Y277 WeakPolarHBondContact CG2-OH 3.3Å
118	E	85.8	Confident	86.7	Confident	77 Å²	77	49.8 Å²	49.8	36%	0.36	27%	0.268	S	S	.	.	H	α-helix	trans	-58.6	-39.8	178.3	-74.9	-60.3	146	0	0	112.4	V113 P114 A115 L120 R123 Y277	V113-E118 HydrophobicContact CB-CG 4.08Å; V113-E118 VanDerWaalsContact CB-OE1 3.31Å; V113-E118 WeakPolarHBondContact CB-OE1 3.41Å; P114-E118 PolarHBondContact O-N 2.94Å; P114-E118 VanDerWaalsContact O-N 3.14Å; A115-E118 PolarHBondContact O-N 3.3Å; E118-L120 VanDerWaalsContact C-N 3.28Å; E118-L120 PolarHBondContact O-N 2.84Å; E118-R123 VanDerWaalsContact CA-NH2 3.28Å; E118-R123 PolarHBondContact O-NH2 3.27Å; E118-R123 IonicContact OE2-NH2 2.94Å; E118-Y277 VanDerWaalsContact OE1-CE2 3.27Å; E118-Y277 WeakPolarHBondContact OE1-CE2 3.4Å; E118-Y277 PolarHBondContact OE1-OH 2.93Å
119	N	87.3	Confident	87.9	Confident	131 Å²	131	49.3 Å²	49.3	70%	0.701	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	6.5	-175.9	-61.5	-12.8	0	0	0	114	A115 I117 E121	A115-N119 VanDerWaalsContact O-CB 3.26Å; A115-N119 WeakPolarHBondContact O-CB 3.46Å; A115-N119 PolarHBondContact O-N 2.84Å; A115-N119 PolarHBondContact O-ND2 2.88Å; I117-N119 VanDerWaalsContact C-N 3.28Å; I117-N119 PolarHBondContact O-N 3.15Å; N119-E121 PolarHBondContact O-N 3Å
120	L	86.6	Confident	89.3	Confident	57 Å²	57	45.1 Å²	45.1	30%	0.298	24%	0.235	S	C	.	.			trans	-69	128.9	175	-68.2	172.3	0	0	0	110	K116 I117 E118 C122 R123 D147	K116-L120 WeakPolarHBondContact O-CG 3.26Å; I117-L120 HydrophobicContact CG2-CD1 4.43Å; I117-L120 WeakPolarHBondContact O-CB 3.37Å; I117-L120 WeakPolarHBondContact O-CG 3.33Å; I117-L120 PolarHBondContact O-N 3.29Å; E118-L120 VanDerWaalsContact C-N 3.28Å; E118-L120 PolarHBondContact O-N 2.84Å; L120-C122 PolarHBondContact O-N 3.41Å; L120-R123 HydrophobicContact CD1-CG 4.43Å; L120-D147 HydrophobicContact CD1-CB 3.67Å
121	E	83.3	Confident	90.2	Very high	184 Å²	184	42.2 Å²	42.2	86%	0.86	22%	0.221	S	C	*	.	S	Bend	trans	-62.6	-34.6	174.2	-65.3	-176.2	165.7	0	0	112	R68 N119	R68-E121 PolarHBondContact NH1-O 3.45Å; N119-E121 PolarHBondContact O-N 3Å
122	C	85.8	Confident	91	Very high	20 Å²	20	42.3 Å²	42.3	14%	0.135	22%	0.223	C	C	.	.	S	Bend	trans	-139.2	129.9	172.8	178.4	0	0	0	0	110.1	C50 L120 D279	C50-C122 HydrophobicContact CB-CB 3.55Å; C50-C122 WeakPolarHBondContact CB-SG 3.47Å; C50-C122 WeakPolarHBondContact SG-CB 2.92Å; C50-C122 CovalentContact SG-SG 2Å; C50-C122 PolarHBondContact SG-SG 2Å; L120-C122 PolarHBondContact O-N 3.41Å; C122-D279 VanDerWaalsContact CA-OD2 3.31Å; C122-D279 WeakPolarHBondContact CA-OD2 2.95Å
123	R	89.5	Confident	91.4	Very high	15 Å²	15	39.9 Å²	39.9	6%	0.057	21%	0.211	C	C	.	.			trans	-110.4	108.6	-176.8	-170.7	178.3	-61.4	138.1	2.7	110.3	I117 E118 L120 V148 Y277 D279 V280	I117-R123 PolarHBondContact O-NE 3.08Å; I117-R123 PolarHBondContact O-NH2 3.39Å; E118-R123 VanDerWaalsContact CA-NH2 3.28Å; E118-R123 PolarHBondContact O-NH2 3.27Å; E118-R123 IonicContact OE2-NH2 2.94Å; L120-R123 HydrophobicContact CD1-CG 4.43Å; R123-V148 HydrophobicContact CG-CG2 3.85Å; R123-Y277 WeakPolarHBondContact CD-O 3.45Å; R123-Y277 VanDerWaalsContact CZ-CZ 3.42Å; R123-Y277 PolarHBondContact NH1-O 3.25Å; R123-D279 PolarHBondContact N-OD2 2.61Å; R123-D279 PolarHBondContact O-N 2.65Å; R123-V280 PolarHBondContact O-N 2.87Å
124	T	93.3	Very high	91.8	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.018	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	128.9	171.9	63.5	0	0	0	0	110.4	L49 D147 V148 V280	L49-T124 HydrophobicContact CB-CG2 4.39Å; L49-T124 HydrophobicContact CD1-CG2 4.45Å; T124-D147 WeakPolarHBondContact CB-OD2 3.47Å; T124-D147 PolarHBondContact N-OD2 2.96Å; T124-D147 WeakPolarHBondContact O-CB 3.13Å; T124-D147 PolarHBondContact O-N 3.34Å; T124-D147 VanDerWaalsContact O-N 3.1Å; T124-D147 PolarHBondContact OG1-N 2.92Å; T124-D147 VanDerWaalsContact OG1-N 3.08Å; T124-D147 PolarHBondContact OG1-OD2 2.91Å; T124-V148 PolarHBondContact O-N 2.76Å; T124-V280 HydrophobicContact CG2-CB 4.18Å; T124-V280 HydrophobicContact CG2-CG2 4.35Å
125	C	96.1	Very high	92.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	135.1	-177.4	-68.5	0	0	0	0	112	Y146 V148 C278 V280 H282	C125-Y146 VanDerWaalsContact C-CD1 3.48Å; C125-V148 VanDerWaalsContact CA-O 3.3Å; C125-V148 WeakPolarHBondContact CA-O 3.31Å; C125-V148 VanDerWaalsContact SG-CB 3.59Å; C125-C278 HydrophobicContact CB-CB 3.54Å; C125-C278 WeakPolarHBondContact CB-SG 3.46Å; C125-C278 WeakPolarHBondContact SG-CB 3.43Å; C125-C278 CovalentContact SG-SG 1.99Å; C125-C278 PolarHBondContact SG-SG 2.66Å; C125-V280 PolarHBondContact N-O 3.25Å; C125-H282 PolarHBondContact O-N 2.76Å
126	A	98.4	Very high	92.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	121.3	166.5	0	0	0	0	0	109.7	I128 Y146 V148 V149 I150 H282	A126-I128 HydrophobicContact CB-CD1 4.05Å; A126-Y146 HydrophobicContact CB-CD1 3.92Å; A126-Y146 HydrophobicContact CB-CD2 3.77Å; A126-Y146 HydrophobicContact CB-CE1 4.38Å; A126-Y146 HydrophobicContact CB-CE2 4.24Å; A126-Y146 HydrophobicContact CB-CG 3.62Å; A126-V148 PolarHBondContact N-O 2.65Å; A126-V149 WeakPolarHBondContact O-CA 3.37Å; A126-I150 PolarHBondContact O-N 2.86Å; A126-H282 CarbonylContact C-O 3.56Å; A126-H282 VanDerWaalsContact CA-O 3.3Å; A126-H282 WeakPolarHBondContact CA-O 3.41Å
127	V	98.8	Very high	92.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	118.7	170.7	-168.9	0	0	0	0	108.6	I150 A270 V271 A274 V281 H282 I283 A284 F286	V127-I150 HydrophobicContact CG1-CB 4.46Å; V127-I150 HydrophobicContact CG2-CB 4.45Å; V127-I150 HydrophobicContact CG2-CD1 4.38Å; V127-A270 HydrophobicContact CG1-CB 3.81Å; V127-V271 HydrophobicContact CB-CG2 4.42Å; V127-V271 HydrophobicContact CG1-CG2 4.24Å; V127-A274 HydrophobicContact CG2-CB 3.61Å; V127-V281 HydrophobicContact CG2-CG1 4.42Å; V127-H282 PolarHBondContact N-O 3.3Å; V127-I283 HydrophobicContact CB-CG2 4.04Å; V127-I283 HydrophobicContact CG2-CG2 4.41Å; V127-I283 WeakPolarHBondContact O-CA 3.42Å; V127-A284 PolarHBondContact O-N 2.94Å; V127-F286 HydrophobicContact CB-CE2 4.22Å; V127-F286 HydrophobicContact CB-CZ 4.42Å; V127-F286 HydrophobicContact CG1-CE2 3.95Å; V127-F286 HydrophobicContact CG1-CZ 3.76Å; V127-F286 WeakPolarHBondContact O-CE2 3.49Å
128	I	98.6	Very high	93.3	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.015	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	105	-176.6	-46.7	-55.8	0	0	0	108.8	A126 I134 I143 V149 I150 R151 V164 A284	A126-I128 HydrophobicContact CB-CD1 4.05Å; I128-I134 HydrophobicContact CG2-CD1 3.91Å; I128-I143 HydrophobicContact CD1-CD1 3.73Å; I128-I143 HydrophobicContact CD1-CG1 3.85Å; I128-I143 HydrophobicContact CD1-CG2 3.85Å; I128-I143 HydrophobicContact CG1-CG2 4.11Å; I128-V149 HydrophobicContact CG1-CG1 3.86Å; I128-I150 PolarHBondContact N-O 2.87Å; I128-R151 HydrophobicContact CB-CG 4.38Å; I128-V164 HydrophobicContact CG2-CB 4.5Å; I128-A284 HydrophobicContact CD1-CB 4.1Å
129	G	97.9	Very high	93.8	Very high	3 Å²	3	40.1 Å²	40.1	3%	0.031	21%	0.213	C	C	.	.			trans	-72.6	168.3	170.2	0	0	0	0	0	112.3	A284 G285	G129-A284 PolarHBondContact N-O 3.45Å; G129-G285 CarbonylContact C-O 3.58Å; G129-G285 VanDerWaalsContact CA-O 3.31Å; G129-G285 WeakPolarHBondContact CA-O 2.97Å
130	N	97.4	Very high	94.4	Very high	15 Å²	15	33.9 Å²	33.9	8%	0.08	18%	0.181	C	C	.	.			trans	-91.7	-3.5	-174.2	-64.6	2.7	0	0	0	113.2	A155 G285 H299 Y300 Y301	N130-A155 VanDerWaalsContact OD1-CB 3.28Å; N130-A155 WeakPolarHBondContact OD1-CB 3.31Å; N130-G285 PolarHBondContact N-O 3.08Å; N130-H299 CarbonylContact O-C 3.52Å; N130-H299 WeakPolarHBondContact O-CA 2.95Å; N130-H299 WeakPolarHBondContact O-CB 3.21Å; N130-Y300 VanDerWaalsContact O-CD1 3.23Å; N130-Y300 WeakPolarHBondContact O-CD1 3.47Å; N130-Y300 PolarHBondContact O-N 3.24Å; N130-Y301 HydrophobicContact CB-CE1 4.06Å; N130-Y301 PolarHBondContact ND2-OH 3.02Å
131	G	95.6	Very high	94.9	Very high	8 Å²	8	35 Å²	35	8%	0.082	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-61	144.8	-169.1	0	0	0	0	0	113.6	V133 I134 G285 I298	G131-V133 PolarHBondContact O-N 3.1Å; G131-V133 VanDerWaalsContact O-N 3.1Å; G131-I134 WeakPolarHBondContact O-CG2 3.44Å; G131-I134 PolarHBondContact O-N 1.99Å; G131-G285 VanDerWaalsContact CA-O 3.29Å; G131-G285 WeakPolarHBondContact CA-O 3.15Å; G131-G285 PolarHBondContact N-O 3.1Å; G131-I298 CarbonylContact C-O 3.59Å; G131-I298 VanDerWaalsContact CA-O 3.31Å; G131-I298 WeakPolarHBondContact CA-O 3.33Å
132	F	94.9	Very high	95.6	Very high	46 Å²	46	29.5 Å²	29.5	20%	0.202	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-57.5	-25.1	179	-178.2	-85.7	0	0	0	114	I134 K135 Q296 P297 I298 H299	F132-I134 PolarHBondContact O-N 3.32Å; F132-K135 HydrophobicContact CD2-CD 4.1Å; F132-K135 HydrophobicContact CE2-CD 3.5Å; F132-K135 VanDerWaalsContact CE2-CD 3.5Å; F132-K135 HydrophobicContact CZ-CD 3.81Å; F132-K135 WeakPolarHBondContact O-CB 3.41Å; F132-K135 PolarHBondContact O-N 2.79Å; F132-Q296 HydrophobicContact CD1-CG 3.81Å; F132-Q296 HydrophobicContact CE1-CG 4.02Å; F132-Q296 HydrophobicContact CG-CG 4.12Å; F132-Q296 HydrophobicContact CZ-CG 4.46Å; F132-P297 WeakPolarHBondContact CB-O 3.5Å; F132-P297 HydrophobicContact CD2-CB 3.87Å; F132-P297 HydrophobicContact CD2-CG 4.05Å; F132-P297 HydrophobicContact CE2-CB 4.37Å; F132-P297 HydrophobicContact CE2-CG 4.04Å; F132-I298 PolarHBondContact N-O 3.48Å; F132-H299 WeakPolarHBondContact CD2-O 3.25Å
133	V	93.2	Very high	96.2	Very high	26 Å²	26	28.6 Å²	28.6	16%	0.158	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-53.9	-25.5	-179.1	63.7	0	0	0	0	114.4	G131 K135 H336 L339	G131-V133 PolarHBondContact O-N 3.1Å; G131-V133 VanDerWaalsContact O-N 3.1Å; V133-K135 VanDerWaalsContact C-N 3.3Å; V133-K135 PolarHBondContact O-N 3.14Å; V133-H336 VanDerWaalsContact CG2-CE1 3.42Å; V133-H336 WeakPolarHBondContact CG2-CE1 3.41Å; V133-L339 HydrophobicContact CB-CD1 4.12Å; V133-L339 HydrophobicContact CG2-CB 4.45Å; V133-L339 HydrophobicContact CG2-CD1 3.62Å; V133-L339 HydrophobicContact CG2-CG 3.78Å
134	I	94.9	Very high	96.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-79.8	-10.9	178.3	-158.6	168.3	0	0	0	113.4	I128 G131 F132 S137 L139 I143 D163 V164 A284 Y300	I128-I134 HydrophobicContact CG2-CD1 3.91Å; G131-I134 WeakPolarHBondContact O-CG2 3.44Å; G131-I134 PolarHBondContact O-N 1.99Å; F132-I134 PolarHBondContact O-N 3.32Å; I134-S137 WeakPolarHBondContact O-CB 3.35Å; I134-S137 PolarHBondContact O-N 2.97Å; I134-S137 PolarHBondContact O-OG 3.26Å; I134-L139 HydrophobicContact CG1-CD1 4.35Å; I134-I143 HydrophobicContact CD1-CD1 4.18Å; I134-D163 WeakPolarHBondContact O-CB 3.41Å; I134-V164 HydrophobicContact CD1-CG1 4.14Å; I134-V164 HydrophobicContact CG1-CG1 4.49Å; I134-V164 HydrophobicContact CG2-CG1 3.98Å; I134-A284 HydrophobicContact CD1-CB 3.62Å; I134-A284 HydrophobicContact CG1-CB 4.41Å; I134-Y300 HydrophobicContact CG2-CD1 3.56Å; I134-Y300 HydrophobicContact CG2-CE1 4.39Å; I134-Y300 HydrophobicContact CG2-CG 3.88Å
135	K	94.3	Very high	96.8	Very high	84 Å²	84	36.1 Å²	36.1	37%	0.365	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	137.4	-178.6	-170.9	172.7	-173.4	165.6	0	111.2	F132 V133 S137 D163	F132-K135 HydrophobicContact CD2-CD 4.1Å; F132-K135 HydrophobicContact CE2-CD 3.5Å; F132-K135 VanDerWaalsContact CE2-CD 3.5Å; F132-K135 HydrophobicContact CZ-CD 3.81Å; F132-K135 WeakPolarHBondContact O-CB 3.41Å; F132-K135 PolarHBondContact O-N 2.79Å; V133-K135 VanDerWaalsContact C-N 3.3Å; V133-K135 PolarHBondContact O-N 3.14Å; K135-S137 PolarHBondContact O-N 3.42Å; K135-D163 WeakPolarHBondContact CA-OD2 3.39Å
136	N	94.6	Very high	96.8	Very high	137 Å²	137	36.8 Å²	36.8	73%	0.733	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	33.1	-174.8	-52.3	-27.7	0	0	0	113.4	D163	N136-D163 WeakPolarHBondContact CA-OD1 3.47Å; N136-D163 PolarHBondContact N-OD1 3.08Å; N136-D163 VanDerWaalsContact N-OD1 3.08Å; N136-D163 PolarHBondContact N-OD2 3.36Å
137	S	95.8	Very high	96.7	Very high	34 Å²	34	38.8 Å²	38.8	24%	0.238	21%	0.211	C	C	.	.			trans	-94.3	-17.1	178.2	68.5	0	0	0	0	113.2	I134 K135 L139 D163	I134-S137 WeakPolarHBondContact O-CB 3.35Å; I134-S137 PolarHBondContact O-N 2.97Å; I134-S137 PolarHBondContact O-OG 3.26Å; K135-S137 PolarHBondContact O-N 3.42Å; S137-L139 PolarHBondContact O-N 2.92Å; S137-L139 VanDerWaalsContact O-N 3.08Å; S137-L139 WeakPolarHBondContact OG-CG 3.46Å; S137-D163 PolarHBondContact N-OD1 3.31Å
138	S	96.9	Very high	96.6	Very high	63 Å²	63	38.8 Å²	38.8	44%	0.441	21%	0.211	S	C	.	.			trans	53.1	25.7	-175.5	-50.3	0	0	0	0	114	G140 E162 D163	S138-G140 VanDerWaalsContact C-N 3.25Å; S138-G140 PolarHBondContact O-N 2.8Å; S138-E162 CarbonylContact C-O 3.09Å; S138-E162 VanDerWaalsContact CA-O 3.23Å; S138-E162 WeakPolarHBondContact CA-O 3.28Å; S138-E162 PolarHBondContact OG-OE1 2.87Å; S138-E162 VanDerWaalsContact OG-OE1 3.11Å; S138-D163 PolarHBondContact N-OD1 2.75Å
139	L	97.8	Very high	96.6	Very high	13 Å²	13	38.6 Å²	38.6	7%	0.068	21%	0.21	C	C	.	.			trans	-75.4	-8.4	-177.3	-72.8	178.6	0	0	0	114	I134 S137 S141 I142 I143 E162 D163 A284 L335 H336	I134-L139 HydrophobicContact CG1-CD1 4.35Å; S137-L139 PolarHBondContact O-N 2.92Å; S137-L139 VanDerWaalsContact O-N 3.08Å; S137-L139 WeakPolarHBondContact OG-CG 3.46Å; L139-S141 VanDerWaalsContact C-N 3.33Å; L139-S141 PolarHBondContact O-N 3.15Å; L139-I142 HydrophobicContact CD2-CD1 3.96Å; L139-I142 WeakPolarHBondContact O-CA 3.36Å; L139-I142 WeakPolarHBondContact O-CB 3.39Å; L139-I142 PolarHBondContact O-N 2.84Å; L139-I143 HydrophobicContact CB-CD1 3.88Å; L139-I143 HydrophobicContact CB-CG1 4.3Å; L139-I143 WeakPolarHBondContact O-CG1 3.43Å; L139-I143 PolarHBondContact O-N 2.98Å; L139-E162 PolarHBondContact N-O 2.71Å; L139-D163 WeakPolarHBondContact CB-O 3.47Å; L139-A284 HydrophobicContact CD1-CB 4.23Å; L139-L335 HydrophobicContact CD1-CB 3.82Å; L139-L335 HydrophobicContact CD2-CB 4.28Å; L139-L335 WeakPolarHBondContact CD2-O 3.49Å; L139-H336 HydrophobicContact CD1-CB 4.02Å
140	G	98.2	Very high	96.7	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.01	21%	0.209	C	C	.	.	H	α-helix	trans	-59.6	-40.3	-168.5	0	0	0	0	0	114.3	S138 I142 I143 N144 E161 E162 D163	S138-G140 VanDerWaalsContact C-N 3.25Å; S138-G140 PolarHBondContact O-N 2.8Å; G140-I142 VanDerWaalsContact C-N 3.26Å; G140-I142 PolarHBondContact O-N 3.46Å; G140-I143 PolarHBondContact O-N 3.26Å; G140-N144 WeakPolarHBondContact O-CB 3.49Å; G140-N144 PolarHBondContact O-N 2.9Å; G140-N144 PolarHBondContact O-ND2 2.84Å; G140-E161 WeakPolarHBondContact CA-O 3.25Å; G140-E162 WeakPolarHBondContact CA-O 3.41Å; G140-E162 PolarHBondContact N-O 3.08Å; G140-D163 PolarHBondContact N-O 3.24Å
141	S	98.1	Very high	96.7	Very high	79 Å²	79	38 Å²	38	55%	0.552	21%	0.206	S	C	*	.	H	α-helix	trans	-66.1	-27.8	175.4	69.7	0	0	0	0	113.2	L139 K145	L139-S141 VanDerWaalsContact C-N 3.33Å; L139-S141 PolarHBondContact O-N 3.15Å; S141-K145 WeakPolarHBondContact O-CG 3.31Å
142	I	97.8	Very high	96.8	Very high	70 Å²	70	37.9 Å²	37.9	36%	0.359	20%	0.203	S	C	.	.	H	α-helix	trans	-78.2	-46.2	176.6	-62.6	172.6	0	0	0	109.6	L139 G140 N144 K145 Y146	L139-I142 HydrophobicContact CD2-CD1 3.96Å; L139-I142 WeakPolarHBondContact O-CA 3.36Å; L139-I142 WeakPolarHBondContact O-CB 3.39Å; L139-I142 PolarHBondContact O-N 2.84Å; G140-I142 VanDerWaalsContact C-N 3.26Å; G140-I142 PolarHBondContact O-N 3.46Å; I142-N144 VanDerWaalsContact C-N 3.26Å; I142-N144 PolarHBondContact O-N 3.19Å; I142-K145 WeakPolarHBondContact O-CB 3.31Å; I142-K145 PolarHBondContact O-N 3.42Å; I142-K145 VanDerWaalsContact O-N 3.1Å; I142-Y146 HydrophobicContact CG2-CE2 4.33Å; I142-Y146 WeakPolarHBondContact O-CD2 3.48Å; I142-Y146 WeakPolarHBondContact O-CE2 3.39Å
143	I	98.5	Very high	97	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-58.4	-39.1	178.6	-68.4	163.8	0	0	0	111.2	I128 I134 L139 G140 K145 Y146 V149 L335	I128-I143 HydrophobicContact CD1-CD1 3.73Å; I128-I143 HydrophobicContact CD1-CG1 3.85Å; I128-I143 HydrophobicContact CD1-CG2 3.85Å; I128-I143 HydrophobicContact CG1-CG2 4.11Å; I134-I143 HydrophobicContact CD1-CD1 4.18Å; L139-I143 HydrophobicContact CB-CD1 3.88Å; L139-I143 HydrophobicContact CB-CG1 4.3Å; L139-I143 WeakPolarHBondContact O-CG1 3.43Å; L139-I143 PolarHBondContact O-N 2.98Å; G140-I143 PolarHBondContact O-N 3.26Å; I143-K145 PolarHBondContact O-N 3.43Å; I143-K145 VanDerWaalsContact O-N 3.11Å; I143-Y146 WeakPolarHBondContact O-CD2 3.33Å; I143-Y146 PolarHBondContact O-N 3.21Å; I143-V149 HydrophobicContact CG2-CG1 3.91Å; I143-V149 HydrophobicContact CG2-CG2 4.08Å; I143-V149 WeakPolarHBondContact O-CG2 3.31Å; I143-L335 HydrophobicContact CG1-CD1 4.06Å
144	N	98.3	Very high	97.1	Very high	50 Å²	50	38.1 Å²	38.1	27%	0.267	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-15.8	179.9	-74.6	-11.2	0	0	0	114.4	G140 I142 G165 N166 K167	G140-N144 WeakPolarHBondContact O-CB 3.49Å; G140-N144 PolarHBondContact O-N 2.9Å; G140-N144 PolarHBondContact O-ND2 2.84Å; I142-N144 VanDerWaalsContact C-N 3.26Å; I142-N144 PolarHBondContact O-N 3.19Å; N144-G165 WeakPolarHBondContact OD1-CA 3.33Å; N144-N166 VanDerWaalsContact CG-OD1 3.28Å; N144-N166 PolarHBondContact ND2-OD1 2.77Å; N144-N166 PolarHBondContact OD1-N 3.25Å; N144-N166 PolarHBondContact OD1-OD1 2.67Å; N144-K167 WeakPolarHBondContact OD1-CB 3.37Å; N144-K167 PolarHBondContact OD1-N 2.94Å
145	K	96.9	Very high	97.2	Very high	127 Å²	127	38.1 Å²	38.1	55%	0.552	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-14.8	-179.4	-64.1	175	-176	178.1	0	114.1	S141 I142 I143	S141-K145 WeakPolarHBondContact O-CG 3.31Å; I142-K145 WeakPolarHBondContact O-CB 3.31Å; I142-K145 PolarHBondContact O-N 3.42Å; I142-K145 VanDerWaalsContact O-N 3.1Å; I143-K145 PolarHBondContact O-N 3.43Å; I143-K145 VanDerWaalsContact O-N 3.11Å
146	Y	96.7	Very high	97.4	Very high	13 Å²	13	35 Å²	35	5%	0.051	19%	0.194	C	C	.	.	S	Bend	trans	-73	148.4	179.7	-71.3	-99	0	0	0	110.6	C125 A126 I142 I143 V148 K167 H282 L335	C125-Y146 VanDerWaalsContact C-CD1 3.48Å; A126-Y146 HydrophobicContact CB-CD1 3.92Å; A126-Y146 HydrophobicContact CB-CD2 3.77Å; A126-Y146 HydrophobicContact CB-CE1 4.38Å; A126-Y146 HydrophobicContact CB-CE2 4.24Å; A126-Y146 HydrophobicContact CB-CG 3.62Å; I142-Y146 HydrophobicContact CG2-CE2 4.33Å; I142-Y146 WeakPolarHBondContact O-CD2 3.48Å; I142-Y146 WeakPolarHBondContact O-CE2 3.39Å; I143-Y146 WeakPolarHBondContact O-CD2 3.33Å; I143-Y146 PolarHBondContact O-N 3.21Å; Y146-V148 VanDerWaalsContact C-N 3.35Å; Y146-K167 WeakPolarHBondContact O-CE 3.39Å; Y146-K167 PolarHBondContact O-NZ 3.34Å; Y146-H282 HydrophobicContact CE1-CB 3.97Å; Y146-H282 AromaticContact CE1-CG 3.92Å; Y146-H282 AromaticContact CE1-ND1 3.58Å; Y146-H282 AromaticContact CZ-ND1 3.5Å; Y146-H282 PolarHBondContact OH-ND1 3.41Å; Y146-L335 HydrophobicContact CE2-CD1 4.2Å; Y146-L335 VanDerWaalsContact OH-CD2 3.28Å; Y146-L335 WeakPolarHBondContact OH-CD2 3.42Å
147	D	95.5	Very high	97.6	Very high	42 Å²	42	28.8 Å²	28.8	23%	0.225	16%	0.161	C	C	.	.	S	Bend	trans	-63.9	-44	178.1	-57.6	-58.4	0	0	0	111	L120 T124 K167	L120-D147 HydrophobicContact CD1-CB 3.67Å; T124-D147 WeakPolarHBondContact CB-OD2 3.47Å; T124-D147 PolarHBondContact N-OD2 2.96Å; T124-D147 WeakPolarHBondContact O-CB 3.13Å; T124-D147 PolarHBondContact O-N 3.34Å; T124-D147 VanDerWaalsContact O-N 3.1Å; T124-D147 PolarHBondContact OG1-N 2.92Å; T124-D147 VanDerWaalsContact OG1-N 3.08Å; T124-D147 PolarHBondContact OG1-OD2 2.91Å; D147-K167 WeakPolarHBondContact O-CE 3.4Å; D147-K167 PolarHBondContact O-NZ 2.76Å
148	V	97.2	Very high	97.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	125.8	-180	-177.2	0	0	0	0	110	I117 R123 T124 C125 A126 Y146 I150 T169	I117-V148 HydrophobicContact CG2-CG2 3.6Å; R123-V148 HydrophobicContact CG-CG2 3.85Å; T124-V148 PolarHBondContact O-N 2.76Å; C125-V148 VanDerWaalsContact CA-O 3.3Å; C125-V148 WeakPolarHBondContact CA-O 3.31Å; C125-V148 VanDerWaalsContact SG-CB 3.59Å; A126-V148 PolarHBondContact N-O 2.65Å; Y146-V148 VanDerWaalsContact C-N 3.35Å; V148-I150 HydrophobicContact CG1-CD1 4.48Å; V148-I150 HydrophobicContact CG1-CG1 3.94Å; V148-T169 HydrophobicContact CB-CG2 4.42Å; V148-T169 HydrophobicContact CG1-CG2 3.95Å; V148-T169 HydrophobicContact CG2-CG2 4.43Å
149	V	98.7	Very high	97.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	116.6	170.5	-177.3	0	0	0	0	109	A126 I128 I143 R151 K167 T169 M170	A126-V149 WeakPolarHBondContact O-CA 3.37Å; I128-V149 HydrophobicContact CG1-CG1 3.86Å; I143-V149 HydrophobicContact CG2-CG1 3.91Å; I143-V149 HydrophobicContact CG2-CG2 4.08Å; I143-V149 WeakPolarHBondContact O-CG2 3.31Å; V149-R151 HydrophobicContact CG1-CG 4.27Å; V149-K167 HydrophobicContact CB-CG 4.4Å; V149-K167 VanDerWaalsContact CG1-O 3.31Å; V149-K167 WeakPolarHBondContact CG1-O 3.42Å; V149-K167 HydrophobicContact CG2-CB 4.18Å; V149-K167 HydrophobicContact CG2-CD 4.01Å; V149-K167 HydrophobicContact CG2-CG 3.94Å; V149-T169 PolarHBondContact N-OG1 3.1Å; V149-T169 VanDerWaalsContact N-OG1 3.08Å; V149-T169 PolarHBondContact O-N 2.76Å; V149-M170 PolarHBondContact O-N 3.11Å; V149-M170 VanDerWaalsContact O-N 3.15Å
150	I	98.8	Very high	97.7	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	119.9	178.6	-56.5	174.8	0	0	0	108.5	A126 V127 I128 V148 M170 F172 A270 A274	A126-I150 PolarHBondContact O-N 2.86Å; V127-I150 HydrophobicContact CG1-CB 4.46Å; V127-I150 HydrophobicContact CG2-CB 4.45Å; V127-I150 HydrophobicContact CG2-CD1 4.38Å; I128-I150 PolarHBondContact N-O 2.87Å; V148-I150 HydrophobicContact CG1-CD1 4.48Å; V148-I150 HydrophobicContact CG1-CG1 3.94Å; I150-M170 WeakPolarHBondContact CA-O 3.35Å; I150-M170 HydrophobicContact CG1-CB 4.39Å; I150-F172 HydrophobicContact CG2-CD1 3.71Å; I150-F172 HydrophobicContact CG2-CE1 3.75Å; I150-F172 HydrophobicContact CG2-CG 4.41Å; I150-F172 HydrophobicContact CG2-CZ 4.45Å; I150-A270 HydrophobicContact CG2-CB 4.06Å; I150-A274 HydrophobicContact CD1-CB 4.1Å
151	R	98.7	Very high	97.7	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.015	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	163.5	175.2	-63	-172.5	-169	-84.4	-3.7	111.2	I128 V149 V164 G165 K167 T168 M170 R171 F172	I128-R151 HydrophobicContact CB-CG 4.38Å; V149-R151 HydrophobicContact CG1-CG 4.27Å; R151-V164 VanDerWaalsContact CZ-O 3.23Å; R151-V164 PolarHBondContact NH1-O 3.21Å; R151-V164 PolarHBondContact NH2-O 3.47Å; R151-G165 PolarHBondContact NH2-O 2.92Å; R151-K167 PolarHBondContact NE-O 2.97Å; R151-K167 PolarHBondContact NH2-O 3.22Å; R151-T168 HydrophobicContact CB-CG2 4.09Å; R151-T168 VanDerWaalsContact CD-OG1 3.25Å; R151-T168 WeakPolarHBondContact CD-OG1 3.21Å; R151-T168 HydrophobicContact CG-CG2 3.93Å; R151-T168 PolarHBondContact NE-OG1 2.65Å; R151-M170 PolarHBondContact N-O 2.9Å; R151-R171 CarbonylContact O-C 3.15Å; R151-R171 VanDerWaalsContact O-CA 3.31Å; R151-R171 WeakPolarHBondContact O-CA 3.49Å; R151-F172 PolarHBondContact O-N 2.81Å
152	L	97.9	Very high	97.7	Very high	5 Å²	5	44.2 Å²	44.2	3%	0.026	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	146.6	-171.4	-45	173.4	0	0	0	110.9	A155 R171 F172 T266 A270	L152-A155 WeakPolarHBondContact O-CB 3.34Å; L152-A155 PolarHBondContact O-N 3.08Å; L152-R171 PolarHBondContact O-NH1 3.38Å; L152-F172 CarbonylContact C-O 3.59Å; L152-F172 WeakPolarHBondContact CA-O 3.47Å; L152-F172 HydrophobicContact CD2-CB 4.11Å; L152-T266 HydrophobicContact CD2-CG2 4.21Å; L152-A270 HydrophobicContact CD2-CB 3.46Å; L152-A270 VanDerWaalsContact CD2-CB 3.46Å
153	N	97.6	Very high	97.7	Very high	29 Å²	29	41.6 Å²	41.6	16%	0.155	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	-149.3	166.3	-56.9	-35.1	0	0	0	112.6	A155 R171 F172 Y174 S177	N153-A155 VanDerWaalsContact C-N 3.26Å; N153-A155 PolarHBondContact O-N 3.32Å; N153-R171 WeakPolarHBondContact O-CD 3.4Å; N153-R171 PolarHBondContact O-NH1 3.32Å; N153-F172 PolarHBondContact N-O 2.87Å; N153-Y174 WeakPolarHBondContact OD1-CE1 3.39Å; N153-S177 CarbonylContact C-O 3.18Å; N153-S177 WeakPolarHBondContact CA-O 3.31Å; N153-S177 PolarHBondContact OD1-OG 2.92Å; N153-S177 VanDerWaalsContact OD1-OG 3.06Å
154	D	96.2	Very high	97.7	Very high	48 Å²	48	41.6 Å²	41.6	26%	0.257	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	17.4	179.7	57.4	-0.7	0	0	0	112.8	S177 K221 Y301	D154-S177 WeakPolarHBondContact CB-O 3.46Å; D154-S177 PolarHBondContact N-O 2.96Å; D154-K221 IonicContact OD2-NZ 3.24Å; D154-K221 PolarHBondContact OD2-NZ 3.35Å; D154-Y301 PolarHBondContact OD1-OH 3.33Å
155	A	97.8	Very high	97.7	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.008	19%	0.194	C	C	.	.			trans	-60.5	120.3	-175.3	0	0	0	0	0	111.6	N130 L152 N153 R171 Y300 Y301	N130-A155 VanDerWaalsContact OD1-CB 3.28Å; N130-A155 WeakPolarHBondContact OD1-CB 3.31Å; L152-A155 WeakPolarHBondContact O-CB 3.34Å; L152-A155 PolarHBondContact O-N 3.08Å; N153-A155 VanDerWaalsContact C-N 3.26Å; N153-A155 PolarHBondContact O-N 3.32Å; A155-R171 PolarHBondContact O-NH1 3.33Å; A155-R171 PolarHBondContact O-NH2 2.95Å; A155-Y300 HydrophobicContact CB-CE1 4.44Å; A155-Y300 VanDerWaalsContact CB-OH 3.3Å; A155-Y300 WeakPolarHBondContact CB-OH 3.42Å; A155-Y301 HydrophobicContact CB-CE1 3.69Å
156	P	97.7	Very high	97.8	Very high	18 Å²	18	37.6 Å²	37.6	12%	0.117	19%	0.191	C	C	.	.			trans	-71.4	146.1	-177.4	30.3	-34.6	0	0	0	110.6	Y160 Y300 Y301	P156-Y160 HydrophobicContact CB-CD2 4.23Å; P156-Y160 HydrophobicContact CB-CE2 4.23Å; P156-Y160 HydrophobicContact CG-CD2 3.93Å; P156-Y160 HydrophobicContact CG-CE2 3.69Å; P156-Y300 HydrophobicContact CG-CE2 4.34Å; P156-Y300 WeakPolarHBondContact O-CE2 3.41Å; P156-Y300 PolarHBondContact O-OH 2.79Å; P156-Y301 HydrophobicContact CG-CD1 4.16Å; P156-Y301 HydrophobicContact CG-CD2 4.05Å; P156-Y301 HydrophobicContact CG-CG 3.71Å
157	V	98.1	Very high	97.9	Very high	7 Å²	7	39.8 Å²	39.8	4%	0.042	20%	0.201	C	C	.	.			trans	-103.4	-42.5	169.8	162.9	0	0	0	0	109.9	G159 Y160 E161 V164 G165 N166 H185	V157-G159 PolarHBondContact O-N 3.05Å; V157-Y160 CarbonylContact O-C 3.58Å; V157-Y160 PolarHBondContact O-N 3.27Å; V157-E161 HydrophobicContact CG1-CG 4.22Å; V157-E161 PolarHBondContact O-N 3.26Å; V157-V164 HydrophobicContact CG2-CG2 4.37Å; V157-G165 VanDerWaalsContact CG1-O 3.27Å; V157-G165 WeakPolarHBondContact CG1-O 3.39Å; V157-N166 HydrophobicContact CG1-CB 4.35Å; V157-H185 HydrophobicContact CB-CB 4.26Å; V157-H185 WeakPolarHBondContact CG2-O 3.39Å
158	R	97.2	Very high	98	Very high	175 Å²	175	37.9 Å²	37.9	66%	0.66	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.7	126.8	-179.2	-171.4	176	178.1	177	-0.5	111.1	Y160 E161	R158-Y160 VanDerWaalsContact C-N 3.34Å; R158-E161 VanDerWaalsContact CA-OE1 3.3Å; R158-E161 WeakPolarHBondContact CA-OE1 3.33Å
159	G	97.6	Very high	98	Very high	60 Å²	60	38.6 Å²	38.6	62%	0.619	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.2	1.8	-174	0	0	0	0	0	114.6	V157 E161	V157-G159 PolarHBondContact O-N 3.05Å; G159-E161 VanDerWaalsContact CA-OE2 3.27Å; G159-E161 WeakPolarHBondContact CA-OE2 3.44Å; G159-E161 VanDerWaalsContact N-CD 3.34Å; G159-E161 PolarHBondContact N-OE1 3.18Å; G159-E161 PolarHBondContact N-OE2 3.11Å
160	Y	98.4	Very high	98	Very high	65 Å²	65	38.6 Å²	38.6	26%	0.255	20%	0.195	S	C	.	.			trans	-132.5	9.7	179.7	-60.7	-88.7	0	0	0	112.1	P156 V157 R158 E162 D163 V164 Y300	P156-Y160 HydrophobicContact CB-CD2 4.23Å; P156-Y160 HydrophobicContact CB-CE2 4.23Å; P156-Y160 HydrophobicContact CG-CD2 3.93Å; P156-Y160 HydrophobicContact CG-CE2 3.69Å; V157-Y160 CarbonylContact O-C 3.58Å; V157-Y160 PolarHBondContact O-N 3.27Å; R158-Y160 VanDerWaalsContact C-N 3.34Å; Y160-E162 PolarHBondContact O-N 2.95Å; Y160-E162 VanDerWaalsContact O-N 3.15Å; Y160-D163 PolarHBondContact O-N 3.2Å; Y160-V164 WeakPolarHBondContact O-CG2 3.35Å; Y160-V164 PolarHBondContact O-N 3.39Å; Y160-Y300 AromaticContact CD1-CD2 3.66Å; Y160-Y300 HydrophobicContact CD1-CD2 3.66Å; Y160-Y300 HydrophobicContact CD1-CE2 4.11Å; Y160-Y300 HydrophobicContact CD2-CE2 4.28Å; Y160-Y300 HydrophobicContact CE1-CD2 4.03Å; Y160-Y300 VanDerWaalsContact CE1-O 3.29Å; Y160-Y300 WeakPolarHBondContact CE1-O 3.33Å; Y160-Y300 AromaticContact CG-CD2 3.96Å; Y160-Y300 HydrophobicContact CG-CD2 3.96Å; Y160-Y300 AromaticContact CG-CE2 3.92Å; Y160-Y300 HydrophobicContact CG-CE2 3.92Å
161	E	98.4	Very high	98	Very high	77 Å²	77	39 Å²	39	36%	0.36	20%	0.196	S	C	.	.	H	α-helix	trans	-60.3	-30.4	-169.7	-61.6	89.7	154.4	0	0	112.8	G140 V157 R158 G159 D163 G165 N166	G140-E161 WeakPolarHBondContact CA-O 3.25Å; V157-E161 HydrophobicContact CG1-CG 4.22Å; V157-E161 PolarHBondContact O-N 3.26Å; R158-E161 VanDerWaalsContact CA-OE1 3.3Å; R158-E161 WeakPolarHBondContact CA-OE1 3.33Å; G159-E161 VanDerWaalsContact CA-OE2 3.27Å; G159-E161 WeakPolarHBondContact CA-OE2 3.44Å; G159-E161 VanDerWaalsContact N-CD 3.34Å; G159-E161 PolarHBondContact N-OE1 3.18Å; G159-E161 PolarHBondContact N-OE2 3.11Å; E161-D163 VanDerWaalsContact C-N 3.28Å; E161-D163 PolarHBondContact O-N 2.95Å; E161-G165 WeakPolarHBondContact O-CA 3.45Å; E161-G165 PolarHBondContact O-N 2.87Å; E161-N166 HydrophobicContact CG-CB 4.06Å
162	E	98.4	Very high	98	Very high	137 Å²	137	38.8 Å²	38.8	64%	0.64	20%	0.196	S	C	*	.	H	α-helix	trans	-59.4	-41	176.1	-173.1	-179.4	167.5	0	0	111.5	S138 L139 G140 Y160	S138-E162 CarbonylContact C-O 3.09Å; S138-E162 VanDerWaalsContact CA-O 3.23Å; S138-E162 WeakPolarHBondContact CA-O 3.28Å; S138-E162 PolarHBondContact OG-OE1 2.87Å; S138-E162 VanDerWaalsContact OG-OE1 3.11Å; L139-E162 PolarHBondContact N-O 2.71Å; G140-E162 WeakPolarHBondContact CA-O 3.41Å; G140-E162 PolarHBondContact N-O 3.08Å; Y160-E162 PolarHBondContact O-N 2.95Å; Y160-E162 VanDerWaalsContact O-N 3.15Å
163	D	98.3	Very high	98	Very high	15 Å²	15	38.6 Å²	38.6	8%	0.08	20%	0.195	C	C	.	.	H	α-helix	trans	-89.7	-45.6	-177.4	-71.8	-33.3	0	0	0	112.3	I134 K135 N136 S137 S138 L139 G140 Y160 E161	I134-D163 WeakPolarHBondContact O-CB 3.41Å; K135-D163 WeakPolarHBondContact CA-OD2 3.39Å; N136-D163 WeakPolarHBondContact CA-OD1 3.47Å; N136-D163 PolarHBondContact N-OD1 3.08Å; N136-D163 VanDerWaalsContact N-OD1 3.08Å; N136-D163 PolarHBondContact N-OD2 3.36Å; S137-D163 PolarHBondContact N-OD1 3.31Å; S138-D163 PolarHBondContact N-OD1 2.75Å; L139-D163 WeakPolarHBondContact CB-O 3.47Å; G140-D163 PolarHBondContact N-O 3.24Å; Y160-D163 PolarHBondContact O-N 3.2Å; E161-D163 VanDerWaalsContact C-N 3.28Å; E161-D163 PolarHBondContact O-N 2.95Å
164	V	98.3	Very high	98	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-104.1	-6.4	-168.4	-47.8	0	0	0	0	113.3	I128 I134 R151 V157 Y160 Y300	I128-V164 HydrophobicContact CG2-CB 4.5Å; I134-V164 HydrophobicContact CD1-CG1 4.14Å; I134-V164 HydrophobicContact CG1-CG1 4.49Å; I134-V164 HydrophobicContact CG2-CG1 3.98Å; R151-V164 VanDerWaalsContact CZ-O 3.23Å; R151-V164 PolarHBondContact NH1-O 3.21Å; R151-V164 PolarHBondContact NH2-O 3.47Å; V157-V164 HydrophobicContact CG2-CG2 4.37Å; Y160-V164 WeakPolarHBondContact O-CG2 3.35Å; Y160-V164 PolarHBondContact O-N 3.39Å; V164-Y300 HydrophobicContact CG1-CD1 4.28Å; V164-Y300 HydrophobicContact CG1-CD2 4.26Å; V164-Y300 HydrophobicContact CG1-CE1 4.05Å; V164-Y300 HydrophobicContact CG1-CE2 4.04Å; V164-Y300 HydrophobicContact CG1-CG 4.38Å
165	G	98.3	Very high	98	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.181	C	C	.	.			trans	75.9	174.9	-175.6	0	0	0	0	0	112.1	N144 R151 V157 E161	N144-G165 WeakPolarHBondContact OD1-CA 3.33Å; R151-G165 PolarHBondContact NH2-O 2.92Å; V157-G165 VanDerWaalsContact CG1-O 3.27Å; V157-G165 WeakPolarHBondContact CG1-O 3.39Å; E161-G165 WeakPolarHBondContact O-CA 3.45Å; E161-G165 PolarHBondContact O-N 2.87Å
166	N	97.8	Very high	97.9	Very high	92 Å²	92	36.5 Å²	36.5	49%	0.492	18%	0.181	S	C	.	.	S	Bend	trans	-114.9	-10.4	179.7	67.1	-2.4	0	0	0	114.2	N144 V157 E161	N144-N166 VanDerWaalsContact CG-OD1 3.28Å; N144-N166 PolarHBondContact ND2-OD1 2.77Å; N144-N166 PolarHBondContact OD1-N 3.25Å; N144-N166 PolarHBondContact OD1-OD1 2.67Å; V157-N166 HydrophobicContact CG1-CB 4.35Å; E161-N166 HydrophobicContact CG-CB 4.06Å
167	K	98.2	Very high	97.8	Very high	59 Å²	59	35.9 Å²	35.9	26%	0.257	18%	0.177	S	C	.	.			trans	-77.1	133.8	175.3	-177.3	174	178.5	175.6	0	111.4	N144 Y146 D147 V149 R151 D187	N144-K167 WeakPolarHBondContact OD1-CB 3.37Å; N144-K167 PolarHBondContact OD1-N 2.94Å; Y146-K167 WeakPolarHBondContact O-CE 3.39Å; Y146-K167 PolarHBondContact O-NZ 3.34Å; D147-K167 WeakPolarHBondContact O-CE 3.4Å; D147-K167 PolarHBondContact O-NZ 2.76Å; V149-K167 HydrophobicContact CB-CG 4.4Å; V149-K167 VanDerWaalsContact CG1-O 3.31Å; V149-K167 WeakPolarHBondContact CG1-O 3.42Å; V149-K167 HydrophobicContact CG2-CB 4.18Å; V149-K167 HydrophobicContact CG2-CD 4.01Å; V149-K167 HydrophobicContact CG2-CG 3.94Å; R151-K167 PolarHBondContact NE-O 2.97Å; R151-K167 PolarHBondContact NH2-O 3.22Å; K167-D187 WeakPolarHBondContact CA-OD2 3.39Å
168	T	98.4	Very high	97.6	Very high	2 Å²	2	36 Å²	36	1%	0.012	18%	0.179	C	C	.	.			trans	-137.8	127.7	168.7	-48.8	0	0	0	0	109.2	R151 R171 D187 T190	R151-T168 HydrophobicContact CB-CG2 4.09Å; R151-T168 VanDerWaalsContact CD-OG1 3.25Å; R151-T168 WeakPolarHBondContact CD-OG1 3.21Å; R151-T168 HydrophobicContact CG-CG2 3.93Å; R151-T168 PolarHBondContact NE-OG1 2.65Å; T168-R171 HydrophobicContact CG2-CB 4.38Å; T168-D187 PolarHBondContact N-OD2 2.71Å; T168-T190 HydrophobicContact CG2-CG2 3.72Å; T168-T190 PolarHBondContact O-OG1 3.36Å
169	T	98	Very high	97.6	Very high	15 Å²	15	29 Å²	29	9%	0.092	16%	0.156	C	C	.	.	S	Bend	trans	-106.7	-40.7	179	-51.4	0	0	0	0	111.1	I117 V148 V149 L191	I117-T169 HydrophobicContact CD1-CG2 3.34Å; V148-T169 HydrophobicContact CB-CG2 4.42Å; V148-T169 HydrophobicContact CG1-CG2 3.95Å; V148-T169 HydrophobicContact CG2-CG2 4.43Å; V149-T169 PolarHBondContact N-OG1 3.1Å; V149-T169 VanDerWaalsContact N-OG1 3.08Å; V149-T169 PolarHBondContact O-N 2.76Å; T169-L191 PolarHBondContact O-N 3.04Å
170	M	98.1	Very high	97.5	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	137.3	174.4	-55.9	-175.3	-174.2	0	0	109.1	F73 V113 V149 I150 R151 F172 L191 V193 Y277	F73-M170 HydrophobicContact CZ-SD 4.33Å; V113-M170 HydrophobicContact CB-CE 4.49Å; V113-M170 HydrophobicContact CG1-CE 3.69Å; V113-M170 HydrophobicContact CG2-CE 3.89Å; V149-M170 PolarHBondContact O-N 3.11Å; V149-M170 VanDerWaalsContact O-N 3.15Å; I150-M170 WeakPolarHBondContact CA-O 3.35Å; I150-M170 HydrophobicContact CG1-CB 4.39Å; R151-M170 PolarHBondContact N-O 2.9Å; M170-F172 HydrophobicContact CB-CD1 4.34Å; M170-F172 HydrophobicContact CB-CE1 4.02Å; M170-F172 HydrophobicContact SD-CE1 4.31Å; M170-L191 CarbonylContact C-O 3.59Å; M170-L191 WeakPolarHBondContact CA-O 3.45Å; M170-L191 HydrophobicContact CE-CD1 4.24Å; M170-L191 HydrophobicContact CG-CB 4.29Å; M170-L191 HydrophobicContact CG-CD1 4.32Å; M170-V193 HydrophobicContact CB-CG2 4.11Å; M170-Y277 HydrophobicContact CE-CD1 4.45Å; M170-Y277 HydrophobicContact CE-CE1 3.84Å
171	R	98.6	Very high	97.4	Very high	8 Å²	8	30.7 Å²	30.7	3%	0.03	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	116.2	170.3	-176.9	171.7	-75.1	-103.1	7.4	110.3	R151 L152 N153 A155 T168 H185 N186 T190 L191 M192 V193	R151-R171 CarbonylContact O-C 3.15Å; R151-R171 VanDerWaalsContact O-CA 3.31Å; R151-R171 WeakPolarHBondContact O-CA 3.49Å; L152-R171 PolarHBondContact O-NH1 3.38Å; N153-R171 WeakPolarHBondContact O-CD 3.4Å; N153-R171 PolarHBondContact O-NH1 3.32Å; A155-R171 PolarHBondContact O-NH1 3.33Å; A155-R171 PolarHBondContact O-NH2 2.95Å; T168-R171 HydrophobicContact CG2-CB 4.38Å; R171-H185 PolarHBondContact NH2-O 2.84Å; R171-N186 PolarHBondContact NE-ND2 3.47Å; R171-N186 PolarHBondContact NE-OD1 3.45Å; R171-N186 PolarHBondContact NH2-OD1 3.34Å; R171-T190 HydrophobicContact CB-CG2 4.18Å; R171-L191 PolarHBondContact N-O 3.14Å; R171-M192 HydrophobicContact CB-CE 4.36Å; R171-M192 HydrophobicContact CB-SD 4.13Å; R171-M192 HydrophobicContact CG-CE 4.4Å; R171-V193 PolarHBondContact O-N 3.46Å
172	F	98.7	Very high	97.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	126.8	179.5	-76.7	42.9	0	0	0	108.6	I150 R151 L152 N153 M170 V193 V195 L237 T266 A270 V273	I150-F172 HydrophobicContact CG2-CD1 3.71Å; I150-F172 HydrophobicContact CG2-CE1 3.75Å; I150-F172 HydrophobicContact CG2-CG 4.41Å; I150-F172 HydrophobicContact CG2-CZ 4.45Å; R151-F172 PolarHBondContact O-N 2.81Å; L152-F172 CarbonylContact C-O 3.59Å; L152-F172 WeakPolarHBondContact CA-O 3.47Å; L152-F172 HydrophobicContact CD2-CB 4.11Å; N153-F172 PolarHBondContact N-O 2.87Å; M170-F172 HydrophobicContact CB-CD1 4.34Å; M170-F172 HydrophobicContact CB-CE1 4.02Å; M170-F172 HydrophobicContact SD-CE1 4.31Å; F172-V193 CarbonylContact C-O 3.48Å; F172-V193 WeakPolarHBondContact CA-O 3.45Å; F172-V193 HydrophobicContact CD1-CB 3.7Å; F172-V193 HydrophobicContact CD1-CG1 3.98Å; F172-V193 HydrophobicContact CD1-CG2 4.03Å; F172-V193 HydrophobicContact CD2-CG1 4.31Å; F172-V193 HydrophobicContact CE1-CB 3.89Å; F172-V193 HydrophobicContact CE1-CG1 3.9Å; F172-V193 HydrophobicContact CE1-CG2 3.86Å; F172-V193 HydrophobicContact CE2-CG1 4.24Å; F172-V193 HydrophobicContact CG-CB 4.17Å; F172-V193 HydrophobicContact CG-CG1 4.18Å; F172-V193 HydrophobicContact CZ-CG1 4.03Å; F172-V195 HydrophobicContact CB-CG2 4.3Å; F172-V195 HydrophobicContact CD2-CG2 3.95Å; F172-V195 HydrophobicContact CG-CG2 4.47Å; F172-L237 HydrophobicContact CD2-CD2 4.49Å; F172-L237 HydrophobicContact CE2-CD1 4.34Å; F172-L237 HydrophobicContact CE2-CD2 3.99Å; F172-L237 HydrophobicContact CZ-CD1 4.49Å; F172-T266 HydrophobicContact CB-CG2 3.78Å; F172-A270 HydrophobicContact CD2-CB 4.25Å; F172-A270 HydrophobicContact CE2-CB 4.41Å; F172-V273 HydrophobicContact CE2-CB 4.31Å; F172-V273 HydrophobicContact CE2-CG1 4.39Å; F172-V273 HydrophobicContact CE2-CG2 4.14Å; F172-V273 HydrophobicContact CZ-CB 4.3Å; F172-V273 HydrophobicContact CZ-CG1 3.93Å; F172-V273 HydrophobicContact CZ-CG2 4.49Å
173	F	97.9	Very high	97.2	Very high	1 Å²	1	24.3 Å²	24.3	0%	0.004	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	165.6	-176	78.4	-73.4	0	0	0	111.8	A178 M192 V193 L194 V195 W204 W227	F173-A178 HydrophobicContact CD2-CB 3.75Å; F173-A178 HydrophobicContact CE2-CB 4.2Å; F173-M192 HydrophobicContact CD1-CB 4.46Å; F173-M192 HydrophobicContact CD1-CE 3.85Å; F173-M192 HydrophobicContact CE1-CB 3.76Å; F173-M192 HydrophobicContact CE1-CE 3.99Å; F173-M192 HydrophobicContact CG-CE 4.31Å; F173-M192 HydrophobicContact CZ-CB 4.45Å; F173-V193 VanDerWaalsContact CD1-O 3.31Å; F173-V193 WeakPolarHBondContact CD1-O 3.27Å; F173-V193 PolarHBondContact N-O 2.93Å; F173-L194 HydrophobicContact CE1-CB 4.3Å; F173-L194 HydrophobicContact CE2-CD1 4.27Å; F173-L194 HydrophobicContact CZ-CB 4.37Å; F173-L194 HydrophobicContact CZ-CD1 4.32Å; F173-L194 WeakPolarHBondContact O-CA 3.18Å; F173-V195 PolarHBondContact O-N 2.85Å; F173-W204 HydrophobicContact CE2-CH2 4.14Å; F173-W204 AromaticContact CE2-CZ3 3.99Å; F173-W204 HydrophobicContact CE2-CZ3 3.99Å; F173-W227 HydrophobicContact CE1-CZ2 4.47Å; F173-W227 AromaticContact CE2-CZ2 3.97Å; F173-W227 HydrophobicContact CE2-CZ2 3.97Å; F173-W227 AromaticContact CZ-CH2 3.95Å; F173-W227 HydrophobicContact CZ-CH2 3.95Å; F173-W227 AromaticContact CZ-CZ2 3.72Å; F173-W227 HydrophobicContact CZ-CZ2 3.72Å
174	Y	97.4	Very high	97.1	Very high	33 Å²	33	27 Å²	27	13%	0.129	14%	0.144	C	C	.	.			trans	-141	165.3	168.8	59.4	-83.8	0	0	0	107.7	N153 E176 S177 A178 F197 W220	N153-Y174 WeakPolarHBondContact OD1-CE1 3.39Å; Y174-E176 VanDerWaalsContact C-N 3.33Å; Y174-E176 HydrophobicContact CD2-CB 4.16Å; Y174-E176 WeakPolarHBondContact CD2-OE2 3.5Å; Y174-E176 HydrophobicContact CE2-CB 3.88Å; Y174-E176 PolarHBondContact O-N 3.38Å; Y174-S177 WeakPolarHBondContact CD1-OG 3.3Å; Y174-S177 WeakPolarHBondContact CE1-OG 3.33Å; Y174-S177 PolarHBondContact N-OG 3.4Å; Y174-S177 CarbonylContact O-C 3.54Å; Y174-S177 PolarHBondContact O-N 3.28Å; Y174-S177 PolarHBondContact O-OG 2.96Å; Y174-A178 PolarHBondContact O-N 3.47Å; Y174-F197 HydrophobicContact CD1-CD2 4.2Å; Y174-F197 AromaticContact CD1-CE2 3.57Å; Y174-F197 HydrophobicContact CD1-CE2 3.57Å; Y174-F197 HydrophobicContact CD2-CD2 4.36Å; Y174-F197 HydrophobicContact CD2-CE2 4.5Å; Y174-F197 HydrophobicContact CE1-CE2 4.17Å; Y174-F197 AromaticContact CG-CD2 3.92Å; Y174-F197 HydrophobicContact CG-CD2 3.92Å; Y174-F197 AromaticContact CG-CE2 3.77Å; Y174-F197 HydrophobicContact CG-CE2 3.77Å; Y174-W220 AromaticContact CE2-CZ2 3.96Å; Y174-W220 HydrophobicContact CE2-CZ2 3.96Å; Y174-W220 AromaticContact CE2-NE1 3.91Å
175	P	97.1	Very high	97	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-53.4	-44.6	-166.7	-23.9	28.2	0	0	0	114.5	S177 A178 D201 W204 F219 P223 P224	P175-S177 PolarHBondContact O-N 3.2Å; P175-A178 WeakPolarHBondContact O-CB 3.28Å; P175-A178 PolarHBondContact O-N 3.24Å; P175-D201 HydrophobicContact CG-CB 3.78Å; P175-W204 HydrophobicContact CB-CB 4.31Å; P175-W204 HydrophobicContact CB-CD2 3.65Å; P175-W204 HydrophobicContact CB-CE3 3.84Å; P175-W204 HydrophobicContact CB-CG 3.86Å; P175-W204 HydrophobicContact CB-CZ3 4.45Å; P175-W204 HydrophobicContact CG-CB 4.11Å; P175-W204 HydrophobicContact CG-CD2 3.87Å; P175-W204 HydrophobicContact CG-CE3 3.65Å; P175-W204 HydrophobicContact CG-CG 4.08Å; P175-W204 HydrophobicContact CG-CZ3 4.39Å; P175-F219 HydrophobicContact CB-CD1 4.44Å; P175-F219 HydrophobicContact CB-CE1 3.99Å; P175-F219 HydrophobicContact CG-CE1 4.04Å; P175-P223 HydrophobicContact CB-CB 3.56Å; P175-P223 HydrophobicContact CB-CG 4.26Å; P175-P223 VanDerWaalsContact O-CB 3.31Å; P175-P223 WeakPolarHBondContact O-CB 3.36Å; P175-P224 WeakPolarHBondContact O-CD 3.35Å
176	E	95.2	Very high	96.9	Very high	2 Å²	2	30 Å²	30	1%	0.009	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-70.6	-14.6	-178.2	-59.3	103.2	129	0	0	114	Y174 K198 F219 W220 K221	Y174-E176 VanDerWaalsContact C-N 3.33Å; Y174-E176 HydrophobicContact CD2-CB 4.16Å; Y174-E176 WeakPolarHBondContact CD2-OE2 3.5Å; Y174-E176 HydrophobicContact CE2-CB 3.88Å; Y174-E176 PolarHBondContact O-N 3.38Å; E176-K198 VanDerWaalsContact CD-NZ 3.28Å; E176-K198 VanDerWaalsContact OE1-CE 3.28Å; E176-K198 WeakPolarHBondContact OE1-CE 3.5Å; E176-K198 IonicContact OE1-NZ 2.69Å; E176-K198 PolarHBondContact OE1-NZ 3.07Å; E176-K198 IonicContact OE2-NZ 3.11Å; E176-K198 PolarHBondContact OE2-NZ 2.98Å; E176-K198 VanDerWaalsContact OE2-NZ 3.11Å; E176-F219 VanDerWaalsContact CD-CD1 3.42Å; E176-F219 HydrophobicContact CG-CB 3.79Å; E176-F219 HydrophobicContact CG-CD1 3.89Å; E176-F219 HydrophobicContact CG-CG 4.24Å; E176-F219 WeakPolarHBondContact OE1-CD1 3.48Å; E176-W220 HydrophobicContact CB-CD2 4.35Å; E176-W220 HydrophobicContact CB-CH2 4.36Å; E176-W220 HydrophobicContact CB-CZ2 3.52Å; E176-W220 HydrophobicContact CG-CD2 4.44Å; E176-W220 HydrophobicContact CG-CG 4.42Å; E176-W220 HydrophobicContact CG-CZ2 4.42Å; E176-W220 PolarHBondContact OE1-NE1 3.22Å; E176-K221 HydrophobicContact CB-CB 4.21Å; E176-K221 WeakPolarHBondContact CG-O 3.39Å; E176-K221 WeakPolarHBondContact O-CD 3.3Å; E176-K221 WeakPolarHBondContact O-CE 3.44Å; E176-K221 PolarHBondContact O-NZ 2.92Å
177	S	94.6	Very high	96.9	Very high	5 Å²	5	28.2 Å²	28.2	4%	0.035	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-115.9	16.3	176.8	75.3	0	0	0	0	112.9	N153 D154 Y174 P175	N153-S177 CarbonylContact C-O 3.18Å; N153-S177 WeakPolarHBondContact CA-O 3.31Å; N153-S177 PolarHBondContact OD1-OG 2.92Å; N153-S177 VanDerWaalsContact OD1-OG 3.06Å; D154-S177 WeakPolarHBondContact CB-O 3.46Å; D154-S177 PolarHBondContact N-O 2.96Å; Y174-S177 WeakPolarHBondContact CD1-OG 3.3Å; Y174-S177 WeakPolarHBondContact CE1-OG 3.33Å; Y174-S177 PolarHBondContact N-OG 3.4Å; Y174-S177 CarbonylContact O-C 3.54Å; Y174-S177 PolarHBondContact O-N 3.28Å; Y174-S177 PolarHBondContact O-OG 2.96Å; P175-S177 PolarHBondContact O-N 3.2Å
178	A	95.8	Very high	96.7	Very high	10 Å²	10	31.4 Å²	31.4	8%	0.083	18%	0.176	C	C	.	.			trans	-83.9	131.2	178.1	0	0	0	0	0	111.3	F173 Y174 P175 W204 P224	F173-A178 HydrophobicContact CD2-CB 3.75Å; F173-A178 HydrophobicContact CE2-CB 4.2Å; Y174-A178 PolarHBondContact O-N 3.47Å; P175-A178 WeakPolarHBondContact O-CB 3.28Å; P175-A178 PolarHBondContact O-N 3.24Å; A178-W204 HydrophobicContact CB-CH2 4.2Å; A178-W204 HydrophobicContact CB-CZ2 4.5Å; A178-P224 HydrophobicContact CB-CG 4.14Å; A178-P224 VanDerWaalsContact O-CG 3.31Å; A178-P224 WeakPolarHBondContact O-CG 3.44Å
179	S	95.2	Very high	96.4	Very high	26 Å²	26	34.3 Å²	34.3	18%	0.182	19%	0.192	C	C	.	.			trans	-69.4	138.7	163.1	174.8	0	0	0	0	109.9	N181 W227	S179-N181 PolarHBondContact O-N 2.89Å; S179-N181 PolarHBondContact OG-N 3.06Å; S179-N181 PolarHBondContact OG-O 3.24Å; S179-W227 PolarHBondContact O-NE1 3.43Å
180	Y	95.6	Very high	96.4	Very high	131 Å²	131	33.9 Å²	33.9	51%	0.514	19%	0.189	S	C	.	.	S	Bend	trans	-62.1	-33.2	176.3	89	-86.4	0	0	0	112.3	L228	Y180-L228 HydrophobicContact CD2-CD1 4.35Å; Y180-L228 HydrophobicContact CE2-CD1 4.15Å; Y180-L228 PolarHBondContact O-N 3.39Å
181	N	96.8	Very high	96.3	Very high	31 Å²	31	34 Å²	34	17%	0.166	19%	0.189	C	C	.	.			trans	-129.8	84.9	178.5	-175.2	-3.9	0	0	0	109.4	S179 A183 L184 L228	S179-N181 PolarHBondContact O-N 2.89Å; S179-N181 PolarHBondContact OG-N 3.06Å; S179-N181 PolarHBondContact OG-O 3.24Å; N181-A183 PolarHBondContact O-N 2.87Å; N181-A183 PolarHBondContact OD1-N 2.97Å; N181-L184 HydrophobicContact CB-CD1 4.02Å; N181-L184 HydrophobicContact CB-CG 4.19Å; N181-L184 PolarHBondContact O-N 3.45Å; N181-L228 HydrophobicContact CB-CB 4.45Å; N181-L228 HydrophobicContact CB-CD1 4.28Å
182	P	95.9	Very high	96.2	Very high	7 Å²	7	34.1 Å²	34.1	5%	0.045	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-63.5	-23.8	-176.9	24.8	-33	0	0	0	113.2	L184 H185 N186 M192 W227	P182-L184 PolarHBondContact O-N 3.46Å; P182-H185 PolarHBondContact O-N 2.82Å; P182-N186 WeakPolarHBondContact O-CB 3.32Å; P182-N186 PolarHBondContact O-N 3.46Å; P182-N186 PolarHBondContact O-ND2 2.78Å; P182-M192 HydrophobicContact CB-CE 3.75Å; P182-M192 HydrophobicContact CB-SD 3.97Å; P182-M192 HydrophobicContact CG-CE 4.31Å; P182-W227 HydrophobicContact CG-CZ2 4.22Å
183	A	96.1	Very high	96.1	Very high	72 Å²	72	34.1 Å²	34.1	60%	0.595	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-65.1	-18	-179.4	0	0	0	0	0	113.8	N181 H185	N181-A183 PolarHBondContact O-N 2.87Å; N181-A183 PolarHBondContact OD1-N 2.97Å; A183-H185 PolarHBondContact O-N 3.16Å
184	L	96.2	Very high	96.1	Very high	73 Å²	73	34.1 Å²	34.1	38%	0.382	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-69.7	-18.8	176.6	-65.9	176.2	0	0	0	113.9	N181 P182	N181-L184 HydrophobicContact CB-CD1 4.02Å; N181-L184 HydrophobicContact CB-CG 4.19Å; N181-L184 PolarHBondContact O-N 3.45Å; P182-L184 PolarHBondContact O-N 3.46Å
185	H	96.3	Very high	96.1	Very high	41 Å²	41	32.7 Å²	32.7	19%	0.19	19%	0.185	C	C	.	.	S	Bend	trans	-133.3	12.5	-170.3	-59.7	-42	0	0	0	113.3	V157 R171 P182 A183	V157-H185 HydrophobicContact CB-CB 4.26Å; V157-H185 WeakPolarHBondContact CG2-O 3.39Å; R171-H185 PolarHBondContact NH2-O 2.84Å; P182-H185 PolarHBondContact O-N 2.82Å; A183-H185 PolarHBondContact O-N 3.16Å
186	N	97.4	Very high	96.1	Very high	21 Å²	21	32.9 Å²	32.9	11%	0.112	19%	0.186	C	C	.	.	S	Bend	trans	-140.1	150.1	-173.9	-71.6	-30.7	0	0	0	110.2	R171 P182 T190	R171-N186 PolarHBondContact NE-ND2 3.47Å; R171-N186 PolarHBondContact NE-OD1 3.45Å; R171-N186 PolarHBondContact NH2-OD1 3.34Å; P182-N186 WeakPolarHBondContact O-CB 3.32Å; P182-N186 PolarHBondContact O-N 3.46Å; P182-N186 PolarHBondContact O-ND2 2.78Å; N186-T190 HydrophobicContact CB-CG2 4.04Å; N186-T190 WeakPolarHBondContact CB-OG1 3.3Å
187	D	96.6	Very high	96.1	Very high	55 Å²	55	34.4 Å²	34.4	29%	0.294	19%	0.193	S	C	.	.			trans	-64.2	151.6	167.3	-63.6	-95.3	0	0	0	111	K167 T168 D189 T190	K167-D187 WeakPolarHBondContact CA-OD2 3.39Å; T168-D187 PolarHBondContact N-OD2 2.71Å; D187-D189 WeakPolarHBondContact CB-OD1 3.36Å; D187-D189 PolarHBondContact O-N 2.86Å; D187-T190 PolarHBondContact N-OG1 2.91Å; D187-T190 VanDerWaalsContact N-OG1 3.14Å; D187-T190 VanDerWaalsContact O-CB 3.25Å; D187-T190 WeakPolarHBondContact O-CB 3.45Å; D187-T190 PolarHBondContact O-N 3.42Å; D187-T190 PolarHBondContact O-OG1 3.32Å
188	P	94.2	Very high	96.1	Very high	125 Å²	125	36.5 Å²	36.5	81%	0.812	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-25.6	-179.3	-27.1	35.3	0	0	0	115.3
189	D	93.4	Very high	96	Very high	64 Å²	64	39.6 Å²	39.6	34%	0.342	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	6.2	-179.9	69.3	-30.8	0	0	0	114	K116 D187 L191	K116-D189 IonicContact NZ-OD2 2.61Å; K116-D189 PolarHBondContact NZ-OD2 3.41Å; D187-D189 WeakPolarHBondContact CB-OD1 3.36Å; D187-D189 PolarHBondContact O-N 2.86Å; D189-L191 PolarHBondContact O-N 2.87Å
190	T	96.6	Very high	96.1	Very high	5 Å²	5	41.3 Å²	41.3	3%	0.031	22%	0.219	C	C	.	.			trans	-57.6	128.1	177.8	-63	0	0	0	0	111.1	T168 R171 N186 D187 M192 K233	T168-T190 HydrophobicContact CG2-CG2 3.72Å; T168-T190 PolarHBondContact O-OG1 3.36Å; R171-T190 HydrophobicContact CB-CG2 4.18Å; N186-T190 HydrophobicContact CB-CG2 4.04Å; N186-T190 WeakPolarHBondContact CB-OG1 3.3Å; D187-T190 PolarHBondContact N-OG1 2.91Å; D187-T190 VanDerWaalsContact N-OG1 3.14Å; D187-T190 VanDerWaalsContact O-CB 3.25Å; D187-T190 WeakPolarHBondContact O-CB 3.45Å; D187-T190 PolarHBondContact O-N 3.42Å; D187-T190 PolarHBondContact O-OG1 3.32Å; T190-M192 HydrophobicContact CG2-SD 4.34Å; T190-K233 WeakPolarHBondContact O-CB 3.43Å
191	L	96.4	Very high	96.1	Very high	4 Å²	4	35.1 Å²	35.1	2%	0.021	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	128.9	169.7	-58.4	-177	0	0	0	110.4	F73 V113 T169 M170 R171 D189 V193 R235	F73-L191 HydrophobicContact CE2-CD1 4.2Å; F73-L191 HydrophobicContact CZ-CD1 4.38Å; V113-L191 HydrophobicContact CG1-CD1 4.26Å; T169-L191 PolarHBondContact O-N 3.04Å; M170-L191 CarbonylContact C-O 3.59Å; M170-L191 WeakPolarHBondContact CA-O 3.45Å; M170-L191 HydrophobicContact CE-CD1 4.24Å; M170-L191 HydrophobicContact CG-CB 4.29Å; M170-L191 HydrophobicContact CG-CD1 4.32Å; R171-L191 PolarHBondContact N-O 3.14Å; D189-L191 PolarHBondContact O-N 2.87Å; L191-V193 HydrophobicContact CB-CG2 4.34Å; L191-V193 PolarHBondContact O-N 2.95Å; L191-R235 HydrophobicContact CD1-CG 4.37Å
192	M	96.8	Very high	96.1	Very high	11 Å²	11	33.6 Å²	33.6	5%	0.054	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	98.8	174.1	-64.6	-55.3	-60.5	0	0	108.6	R171 F173 P182 T190 L194 W227 K233 I234 R235	R171-M192 HydrophobicContact CB-CE 4.36Å; R171-M192 HydrophobicContact CB-SD 4.13Å; R171-M192 HydrophobicContact CG-CE 4.4Å; F173-M192 HydrophobicContact CD1-CB 4.46Å; F173-M192 HydrophobicContact CD1-CE 3.85Å; F173-M192 HydrophobicContact CE1-CB 3.76Å; F173-M192 HydrophobicContact CE1-CE 3.99Å; F173-M192 HydrophobicContact CG-CE 4.31Å; F173-M192 HydrophobicContact CZ-CB 4.45Å; P182-M192 HydrophobicContact CB-CE 3.75Å; P182-M192 HydrophobicContact CB-SD 3.97Å; P182-M192 HydrophobicContact CG-CE 4.31Å; T190-M192 HydrophobicContact CG2-SD 4.34Å; M192-L194 PolarHBondContact O-N 2.69Å; M192-W227 HydrophobicContact CB-CH2 4.36Å; M192-W227 HydrophobicContact CE-CZ2 4.08Å; M192-W227 HydrophobicContact CG-CH2 4.48Å; M192-W227 HydrophobicContact CG-CZ2 4.45Å; M192-K233 PolarHBondContact N-O 2.57Å; M192-I234 CarbonylContact O-C 3.56Å; M192-I234 WeakPolarHBondContact O-CA 3.5Å; M192-R235 PolarHBondContact O-N 2.81Å
193	V	97.6	Very high	96.1	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	103.5	-174.9	-177.8	0	0	0	0	110	F73 M170 R171 F172 F173 L191 R235 L237	F73-V193 HydrophobicContact CD1-CG1 4.48Å; F73-V193 HydrophobicContact CE1-CB 4.48Å; F73-V193 HydrophobicContact CE1-CG1 3.82Å; F73-V193 HydrophobicContact CE1-CG2 3.84Å; F73-V193 HydrophobicContact CZ-CG2 3.97Å; M170-V193 HydrophobicContact CB-CG2 4.11Å; R171-V193 PolarHBondContact O-N 3.46Å; F172-V193 CarbonylContact C-O 3.48Å; F172-V193 WeakPolarHBondContact CA-O 3.45Å; F172-V193 HydrophobicContact CD1-CB 3.7Å; F172-V193 HydrophobicContact CD1-CG1 3.98Å; F172-V193 HydrophobicContact CD1-CG2 4.03Å; F172-V193 HydrophobicContact CD2-CG1 4.31Å; F172-V193 HydrophobicContact CE1-CB 3.89Å; F172-V193 HydrophobicContact CE1-CG1 3.9Å; F172-V193 HydrophobicContact CE1-CG2 3.86Å; F172-V193 HydrophobicContact CE2-CG1 4.24Å; F172-V193 HydrophobicContact CG-CB 4.17Å; F172-V193 HydrophobicContact CG-CG1 4.18Å; F172-V193 HydrophobicContact CZ-CG1 4.03Å; F173-V193 VanDerWaalsContact CD1-O 3.31Å; F173-V193 WeakPolarHBondContact CD1-O 3.27Å; F173-V193 PolarHBondContact N-O 2.93Å; L191-V193 HydrophobicContact CB-CG2 4.34Å; L191-V193 PolarHBondContact O-N 2.95Å; V193-R235 CarbonylContact C-O 3.56Å; V193-R235 WeakPolarHBondContact CA-O 3.49Å; V193-R235 HydrophobicContact CG2-CB 4.44Å; V193-L237 HydrophobicContact CG1-CB 3.95Å; V193-L237 HydrophobicContact CG1-CD1 4.42Å
194	L	97.6	Very high	96.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	126.5	173.1	179.5	69.8	0	0	0	110	F173 M192 P196 L202 L205 R235 V236 L237	F173-L194 HydrophobicContact CE1-CB 4.3Å; F173-L194 HydrophobicContact CE2-CD1 4.27Å; F173-L194 HydrophobicContact CZ-CB 4.37Å; F173-L194 HydrophobicContact CZ-CD1 4.32Å; F173-L194 WeakPolarHBondContact O-CA 3.18Å; M192-L194 PolarHBondContact O-N 2.69Å; L194-P196 WeakPolarHBondContact O-CD 3.44Å; L194-L202 HydrophobicContact CD2-CD2 4.02Å; L194-L205 HydrophobicContact CD2-CB 4.42Å; L194-L205 HydrophobicContact CD2-CD2 3.67Å; L194-R235 PolarHBondContact N-O 3.44Å; L194-V236 HydrophobicContact CD2-CG2 4.43Å; L194-L237 PolarHBondContact O-N 3.32Å
195	V	98	Very high	96.1	Very high	3 Å²	3	31.1 Å²	31.1	2%	0.018	16%	0.156	C	C	.	.			trans	-102.6	104.7	169.6	-175.7	0	0	0	0	108.7	F172 F173 F197 L237 T266 L269	F172-V195 HydrophobicContact CB-CG2 4.3Å; F172-V195 HydrophobicContact CD2-CG2 3.95Å; F172-V195 HydrophobicContact CG-CG2 4.47Å; F173-V195 PolarHBondContact O-N 2.85Å; V195-F197 HydrophobicContact CB-CE2 3.91Å; V195-F197 HydrophobicContact CB-CZ 4.25Å; V195-F197 HydrophobicContact CG1-CD2 4.21Å; V195-F197 HydrophobicContact CG1-CE1 4.05Å; V195-F197 HydrophobicContact CG1-CE2 3.55Å; V195-F197 HydrophobicContact CG1-CZ 3.47Å; V195-F197 VanDerWaalsContact CG1-CZ 3.47Å; V195-F197 WeakPolarHBondContact O-CD2 3.33Å; V195-F197 PolarHBondContact O-N 3.44Å; V195-L237 HydrophobicContact CG2-CD2 4.2Å; V195-T266 HydrophobicContact CG2-CG2 4.48Å; V195-L269 HydrophobicContact CB-CD2 4.43Å; V195-L269 HydrophobicContact CG1-CD2 3.54Å; V195-L269 HydrophobicContact CG2-CD2 3.97Å
196	P	95.8	Very high	96.1	Very high	4 Å²	4	30.1 Å²	30.1	3%	0.026	15%	0.151	C	C	.	.			trans	-82.1	109.2	-176.8	32	-33.5	0	0	0	110.7	L90 L194 L202 V236 P239	L90-P196 HydrophobicContact CD1-CB 4.22Å; L90-P196 HydrophobicContact CD2-CB 3.86Å; L90-P196 HydrophobicContact CD2-CG 3.85Å; L90-P196 WeakPolarHBondContact CD2-O 3.39Å; L194-P196 WeakPolarHBondContact O-CD 3.44Å; P196-L202 HydrophobicContact CB-CD2 3.89Å; P196-L202 HydrophobicContact CB-CG 4.19Å; P196-V236 HydrophobicContact CG-CG1 4.11Å; P196-P239 HydrophobicContact CG-CG 4.3Å
197	F	94.9	Very high	96	Very high	34 Å²	34	29.7 Å²	29.7	15%	0.149	15%	0.149	C	C	.	.			trans	-90.3	-29.5	175.7	-66.7	-80	0	0	0	112.4	P91 Y174 V195 D201 L242	P91-F197 HydrophobicContact CB-CB 4.44Å; P91-F197 HydrophobicContact CB-CD1 4.18Å; P91-F197 WeakPolarHBondContact CB-O 3.41Å; Y174-F197 HydrophobicContact CD1-CD2 4.2Å; Y174-F197 AromaticContact CD1-CE2 3.57Å; Y174-F197 HydrophobicContact CD1-CE2 3.57Å; Y174-F197 HydrophobicContact CD2-CD2 4.36Å; Y174-F197 HydrophobicContact CD2-CE2 4.5Å; Y174-F197 HydrophobicContact CE1-CE2 4.17Å; Y174-F197 AromaticContact CG-CD2 3.92Å; Y174-F197 HydrophobicContact CG-CD2 3.92Å; Y174-F197 AromaticContact CG-CE2 3.77Å; Y174-F197 HydrophobicContact CG-CE2 3.77Å; V195-F197 HydrophobicContact CB-CE2 3.91Å; V195-F197 HydrophobicContact CB-CZ 4.25Å; V195-F197 HydrophobicContact CG1-CD2 4.21Å; V195-F197 HydrophobicContact CG1-CE1 4.05Å; V195-F197 HydrophobicContact CG1-CE2 3.55Å; V195-F197 HydrophobicContact CG1-CZ 3.47Å; V195-F197 VanDerWaalsContact CG1-CZ 3.47Å; V195-F197 WeakPolarHBondContact O-CD2 3.33Å; V195-F197 PolarHBondContact O-N 3.44Å; F197-D201 WeakPolarHBondContact CA-OD2 3.37Å; F197-D201 WeakPolarHBondContact CB-OD2 3.35Å; F197-D201 PolarHBondContact N-OD2 3.23Å; F197-L242 HydrophobicContact CD1-CD2 4.14Å; F197-L242 HydrophobicContact CE1-CD1 4.28Å; F197-L242 HydrophobicContact CE1-CD2 4.04Å
198	K	94.3	Very high	95.9	Very high	50 Å²	50	27.9 Å²	27.9	22%	0.217	14%	0.139	C	C	.	.	S	Bend	trans	-150.6	161.4	-176.1	55.3	-172.7	-180	-54	0	111.1	E176 Q200 D201 G218	E176-K198 VanDerWaalsContact CD-NZ 3.28Å; E176-K198 VanDerWaalsContact OE1-CE 3.28Å; E176-K198 WeakPolarHBondContact OE1-CE 3.5Å; E176-K198 IonicContact OE1-NZ 2.69Å; E176-K198 PolarHBondContact OE1-NZ 3.07Å; E176-K198 IonicContact OE2-NZ 3.11Å; E176-K198 PolarHBondContact OE2-NZ 2.98Å; E176-K198 VanDerWaalsContact OE2-NZ 3.11Å; K198-Q200 HydrophobicContact CD-CB 4.34Å; K198-Q200 HydrophobicContact CG-CB 4.19Å; K198-Q200 PolarHBondContact O-N 3.01Å; K198-Q200 VanDerWaalsContact O-N 3.15Å; K198-D201 WeakPolarHBondContact CE-OD1 3.4Å; K198-D201 WeakPolarHBondContact CG-OD1 3.3Å; K198-D201 WeakPolarHBondContact CG-OD2 3.09Å; K198-D201 PolarHBondContact N-OD2 2.69Å; K198-D201 IonicContact NZ-OD1 2.71Å; K198-D201 PolarHBondContact NZ-OD1 2.98Å; K198-D201 IonicContact NZ-OD2 3.71Å; K198-D201 WeakPolarHBondContact O-CB 3.28Å; K198-D201 PolarHBondContact O-N 2.76Å; K198-G218 WeakPolarHBondContact CE-O 3.37Å
199	Q	95.1	Very high	95.9	Very high	74 Å²	74	23.6 Å²	23.6	35%	0.346	11%	0.109	S	C	.	.	H	α-helix	trans	-57.9	-31.3	-179.8	-72.5	-171.6	0.6	0	0	113.3	G96 S97 L100 D201 L202 R203	G96-Q199 PolarHBondContact O-NE2 2.82Å; S97-Q199 WeakPolarHBondContact OG-CG 3.3Å; L100-Q199 HydrophobicContact CD1-CB 4.23Å; Q199-D201 PolarHBondContact O-N 3.33Å; Q199-L202 PolarHBondContact O-N 2.82Å; Q199-R203 WeakPolarHBondContact O-CB 3.27Å; Q199-R203 PolarHBondContact O-N 2.85Å
200	Q	95.9	Very high	95.9	Very high	63 Å²	63	25.2 Å²	25.2	29%	0.294	11%	0.111	S	C	.	.	H	α-helix	trans	-59.9	-29.5	176.5	-67.7	77.1	1.5	0	0	111.3	K198 R203 W204 F219	K198-Q200 HydrophobicContact CD-CB 4.34Å; K198-Q200 HydrophobicContact CG-CB 4.19Å; K198-Q200 PolarHBondContact O-N 3.01Å; K198-Q200 VanDerWaalsContact O-N 3.15Å; Q200-R203 PolarHBondContact O-N 3.49Å; Q200-W204 WeakPolarHBondContact O-CB 3.33Å; Q200-W204 PolarHBondContact O-N 2.92Å; Q200-F219 HydrophobicContact CB-CE1 3.81Å; Q200-F219 HydrophobicContact CB-CZ 3.76Å; Q200-F219 WeakPolarHBondContact O-CZ 3.35Å
201	D	97	Very high	95.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-69.2	-44.7	179.8	-54	-23.1	0	0	0	111.6	P175 F197 K198 Q199 R203 W204 L205	P175-D201 HydrophobicContact CG-CB 3.78Å; F197-D201 WeakPolarHBondContact CA-OD2 3.37Å; F197-D201 WeakPolarHBondContact CB-OD2 3.35Å; F197-D201 PolarHBondContact N-OD2 3.23Å; K198-D201 WeakPolarHBondContact CE-OD1 3.4Å; K198-D201 WeakPolarHBondContact CG-OD1 3.3Å; K198-D201 WeakPolarHBondContact CG-OD2 3.09Å; K198-D201 PolarHBondContact N-OD2 2.69Å; K198-D201 IonicContact NZ-OD1 2.71Å; K198-D201 PolarHBondContact NZ-OD1 2.98Å; K198-D201 IonicContact NZ-OD2 3.71Å; K198-D201 WeakPolarHBondContact O-CB 3.28Å; K198-D201 PolarHBondContact O-N 2.76Å; Q199-D201 PolarHBondContact O-N 3.33Å; D201-R203 VanDerWaalsContact C-N 3.33Å; D201-W204 PolarHBondContact O-N 3.36Å; D201-L205 PolarHBondContact O-N 2.93Å; D201-L205 VanDerWaalsContact O-N 3.13Å
202	L	96.5	Very high	95.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-67.3	-38	174.7	-60.4	175.9	0	0	0	111.5	L90 L100 L101 L194 P196 Q199 L205 K206	L90-L202 HydrophobicContact CD1-CD1 3.77Å; L90-L202 HydrophobicContact CD1-CG 4.35Å; L100-L202 HydrophobicContact CB-CB 3.92Å; L100-L202 HydrophobicContact CB-CD1 4.14Å; L100-L202 HydrophobicContact CD1-CB 4.33Å; L101-L202 HydrophobicContact CD1-CD1 4.4Å; L101-L202 HydrophobicContact CD2-CD1 3.73Å; L101-L202 HydrophobicContact CD2-CD2 3.61Å; L101-L202 HydrophobicContact CD2-CG 4.32Å; L101-L202 HydrophobicContact CG-CD1 3.63Å; L101-L202 HydrophobicContact CG-CD2 4.4Å; L194-L202 HydrophobicContact CD2-CD2 4.02Å; P196-L202 HydrophobicContact CB-CD2 3.89Å; P196-L202 HydrophobicContact CB-CG 4.19Å; Q199-L202 PolarHBondContact O-N 2.82Å; L202-L205 PolarHBondContact O-N 3.46Å; L202-K206 WeakPolarHBondContact O-CB 3.08Å; L202-K206 PolarHBondContact O-N 3.22Å
203	R	96.4	Very high	95.5	Very high	99 Å²	99	42.7 Å²	42.7	37%	0.374	19%	0.193	S	C	.	.	H	α-helix	trans	-62.6	-47.3	175.8	-175.2	-177.3	-59.4	171.8	2.2	111.2	Q199 Q200 D201 L205 K206 E207	Q199-R203 WeakPolarHBondContact O-CB 3.27Å; Q199-R203 PolarHBondContact O-N 2.85Å; Q200-R203 PolarHBondContact O-N 3.49Å; D201-R203 VanDerWaalsContact C-N 3.33Å; R203-L205 VanDerWaalsContact C-N 3.32Å; R203-L205 PolarHBondContact O-N 3.06Å; R203-K206 WeakPolarHBondContact O-CB 3.48Å; R203-K206 PolarHBondContact O-N 3.22Å; R203-E207 WeakPolarHBondContact CD-OE1 3.44Å; R203-E207 HydrophobicContact CG-CG 4.3Å; R203-E207 VanDerWaalsContact CG-OE1 3.23Å; R203-E207 WeakPolarHBondContact CG-OE1 3.32Å; R203-E207 WeakPolarHBondContact O-CB 3.47Å; R203-E207 VanDerWaalsContact O-CG 3.29Å; R203-E207 WeakPolarHBondContact O-CG 3.42Å; R203-E207 PolarHBondContact O-N 2.79Å
204	W	96.9	Very high	95.3	Very high	1 Å²	1	45.7 Å²	45.7	0%	0.004	20%	0.204	C	C	.	.	H	α-helix	trans	-56	-48.4	176.5	168.4	83.3	0	0	0	110.9	F173 P175 A178 Q200 D201 K206 E207 I208 F219 P223 P224 W227	F173-W204 HydrophobicContact CE2-CH2 4.14Å; F173-W204 AromaticContact CE2-CZ3 3.99Å; F173-W204 HydrophobicContact CE2-CZ3 3.99Å; P175-W204 HydrophobicContact CB-CB 4.31Å; P175-W204 HydrophobicContact CB-CD2 3.65Å; P175-W204 HydrophobicContact CB-CE3 3.84Å; P175-W204 HydrophobicContact CB-CG 3.86Å; P175-W204 HydrophobicContact CB-CZ3 4.45Å; P175-W204 HydrophobicContact CG-CB 4.11Å; P175-W204 HydrophobicContact CG-CD2 3.87Å; P175-W204 HydrophobicContact CG-CE3 3.65Å; P175-W204 HydrophobicContact CG-CG 4.08Å; P175-W204 HydrophobicContact CG-CZ3 4.39Å; A178-W204 HydrophobicContact CB-CH2 4.2Å; A178-W204 HydrophobicContact CB-CZ2 4.5Å; Q200-W204 WeakPolarHBondContact O-CB 3.33Å; Q200-W204 PolarHBondContact O-N 2.92Å; D201-W204 PolarHBondContact O-N 3.36Å; W204-K206 PolarHBondContact O-N 2.69Å; W204-E207 PolarHBondContact O-N 3.44Å; W204-I208 HydrophobicContact CD2-CG1 4.32Å; W204-I208 HydrophobicContact CZ2-CG1 4.09Å; W204-I208 WeakPolarHBondContact O-CG1 3.45Å; W204-I208 PolarHBondContact O-N 3.23Å; W204-F219 HydrophobicContact CB-CZ 3.86Å; W204-P223 HydrophobicContact CG-CG 4.48Å; W204-P224 PolarHBondContact NE1-O 3.15Å; W204-W227 HydrophobicContact CH2-CB 4.41Å; W204-W227 HydrophobicContact CH2-CD2 4.06Å; W204-W227 AromaticContact CH2-CG 4Å; W204-W227 HydrophobicContact CH2-CG 4Å; W204-W227 HydrophobicContact CZ2-CB 4.14Å; W204-W227 HydrophobicContact CZ2-CG 4.14Å
205	L	95.5	Very high	94.9	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-64.8	-42	-179.2	-179.8	58.2	0	0	0	111.8	V104 L194 D201 L202 R203 E207 I208 I209 W227 I234	V104-L205 HydrophobicContact CG1-CD2 3.54Å; V104-L205 HydrophobicContact CG1-CG 4.29Å; V104-L205 HydrophobicContact CG2-CB 4.45Å; V104-L205 HydrophobicContact CG2-CD2 4.43Å; V104-L205 HydrophobicContact CG2-CG 4.43Å; L194-L205 HydrophobicContact CD2-CB 4.42Å; L194-L205 HydrophobicContact CD2-CD2 3.67Å; D201-L205 PolarHBondContact O-N 2.93Å; D201-L205 VanDerWaalsContact O-N 3.13Å; L202-L205 PolarHBondContact O-N 3.46Å; R203-L205 VanDerWaalsContact C-N 3.32Å; R203-L205 PolarHBondContact O-N 3.06Å; L205-E207 PolarHBondContact O-N 3.26Å; L205-I208 WeakPolarHBondContact O-CB 3.36Å; L205-I208 PolarHBondContact O-N 3.24Å; L205-I209 HydrophobicContact CD1-CD1 3.72Å; L205-I209 HydrophobicContact CD1-CG1 3.88Å; L205-I209 HydrophobicContact CD2-CD1 4.15Å; L205-I209 HydrophobicContact CG-CD1 3.62Å; L205-I209 HydrophobicContact CG-CG1 4.22Å; L205-I209 VanDerWaalsContact O-CG1 3.3Å; L205-I209 WeakPolarHBondContact O-CG1 3.44Å; L205-I209 PolarHBondContact O-N 3.03Å; L205-W227 HydrophobicContact CD1-CZ3 4.32Å; L205-I234 HydrophobicContact CD1-CD1 3.73Å; L205-I234 HydrophobicContact CD2-CD1 4.18Å; L205-I234 HydrophobicContact CD2-CG2 3.98Å
206	K	95.6	Very high	94.4	Very high	19 Å²	19	55.7 Å²	55.7	8%	0.083	25%	0.248	C	C	.	.	H	α-helix	trans	-58.2	-47.2	173.3	-175.6	-161.5	76.2	89.8	0	111.4	L100 K103 V104 L202 R203 W204 I208 I209 Y210 E212	L100-K206 HydrophobicContact CD2-CD 3.92Å; K103-K206 HydrophobicContact CB-CD 4.24Å; K103-K206 HydrophobicContact CB-CG 4.26Å; K103-K206 HydrophobicContact CD-CD 3.77Å; V104-K206 HydrophobicContact CG2-CB 4.17Å; L202-K206 WeakPolarHBondContact O-CB 3.08Å; L202-K206 PolarHBondContact O-N 3.22Å; R203-K206 WeakPolarHBondContact O-CB 3.48Å; R203-K206 PolarHBondContact O-N 3.22Å; W204-K206 PolarHBondContact O-N 2.69Å; K206-I208 VanDerWaalsContact C-N 3.26Å; K206-I208 PolarHBondContact O-N 2.84Å; K206-I209 PolarHBondContact O-N 3.19Å; K206-Y210 HydrophobicContact CB-CD2 4.48Å; K206-Y210 HydrophobicContact CG-CD2 3.58Å; K206-Y210 HydrophobicContact CG-CE2 3.94Å; K206-Y210 WeakPolarHBondContact O-CB 3.49Å; K206-Y210 WeakPolarHBondContact O-CD2 2.94Å; K206-Y210 PolarHBondContact O-N 3.34Å; K206-E212 IonicContact NZ-OE1 3.17Å; K206-E212 PolarHBondContact NZ-OE1 2.8Å; K206-E212 IonicContact NZ-OE2 3.78Å; K206-E212 PolarHBondContact NZ-OE2 3.38Å
207	E	95.5	Very high	94.1	Very high	12 Å²	12	64.3 Å²	64.3	6%	0.056	29%	0.285	C	S	.	.	H	α-helix	trans	-60.4	-36.8	178.7	-72.1	168	-176.4	0	0	111.8	R203 W204 L205 N211 E212 R214 V215	R203-E207 WeakPolarHBondContact CD-OE1 3.44Å; R203-E207 HydrophobicContact CG-CG 4.3Å; R203-E207 VanDerWaalsContact CG-OE1 3.23Å; R203-E207 WeakPolarHBondContact CG-OE1 3.32Å; R203-E207 WeakPolarHBondContact O-CB 3.47Å; R203-E207 VanDerWaalsContact O-CG 3.29Å; R203-E207 WeakPolarHBondContact O-CG 3.42Å; R203-E207 PolarHBondContact O-N 2.79Å; W204-E207 PolarHBondContact O-N 3.44Å; L205-E207 PolarHBondContact O-N 3.26Å; E207-N211 CarbonylContact O-C 3.59Å; E207-N211 WeakPolarHBondContact O-CA 3.35Å; E207-N211 PolarHBondContact O-N 3.15Å; E207-E212 HydrophobicContact CB-CB 4.45Å; E207-E212 HydrophobicContact CG-CB 4.37Å; E207-E212 PolarHBondContact O-N 3.22Å; E207-R214 HydrophobicContact CB-CG 4.25Å; E207-R214 PolarHBondContact O-NE 3.3Å; E207-R214 PolarHBondContact O-NH2 3.38Å; E207-R214 WeakPolarHBondContact OE2-CA 3.13Å; E207-V215 PolarHBondContact OE2-N 3.08Å
208	I	94.5	Very high	93.8	Very high	18 Å²	18	65 Å²	65	9%	0.092	30%	0.301	C	S	.	.	H	α-helix	trans	-65.1	-55	172.9	-68	-66.5	0	0	0	111.2	W204 L205 K206 Y210 N211 R214 Q225 W227	W204-I208 HydrophobicContact CD2-CG1 4.32Å; W204-I208 HydrophobicContact CZ2-CG1 4.09Å; W204-I208 WeakPolarHBondContact O-CG1 3.45Å; W204-I208 PolarHBondContact O-N 3.23Å; L205-I208 WeakPolarHBondContact O-CB 3.36Å; L205-I208 PolarHBondContact O-N 3.24Å; K206-I208 VanDerWaalsContact C-N 3.26Å; K206-I208 PolarHBondContact O-N 2.84Å; I208-Y210 PolarHBondContact O-N 2.98Å; I208-N211 PolarHBondContact O-N 3.36Å; I208-R214 HydrophobicContact CD1-CG 4.32Å; I208-R214 PolarHBondContact O-NH2 3.25Å; I208-Q225 WeakPolarHBondContact CD1-O 3.48Å; I208-W227 HydrophobicContact CD1-CB 4.1Å; I208-W227 HydrophobicContact CG1-CB 4.4Å; I208-W227 HydrophobicContact CG2-CB 4.08Å; I208-W227 HydrophobicContact CG2-CE3 4.13Å
209	I	93.4	Very high	93.7	Very high	34 Å²	34	64 Å²	64	17%	0.174	30%	0.297	C	S	.	.	H	α-helix	trans	-64.5	-42.6	-173.1	-68.3	172	0	0	0	111.8	V107 L205 K206 N211 V231 I234	V107-I209 HydrophobicContact CB-CG2 3.73Å; V107-I209 HydrophobicContact CG1-CG2 3.53Å; V107-I209 HydrophobicContact CG2-CG2 3.64Å; L205-I209 HydrophobicContact CD1-CD1 3.72Å; L205-I209 HydrophobicContact CD1-CG1 3.88Å; L205-I209 HydrophobicContact CD2-CD1 4.15Å; L205-I209 HydrophobicContact CG-CD1 3.62Å; L205-I209 HydrophobicContact CG-CG1 4.22Å; L205-I209 VanDerWaalsContact O-CG1 3.3Å; L205-I209 WeakPolarHBondContact O-CG1 3.44Å; L205-I209 PolarHBondContact O-N 3.03Å; K206-I209 PolarHBondContact O-N 3.19Å; I209-N211 VanDerWaalsContact C-N 3.28Å; I209-N211 PolarHBondContact O-N 3.44Å; I209-V231 HydrophobicContact CG1-CG1 4.22Å; I209-I234 HydrophobicContact CD1-CD1 4.23Å
210	Y	94.3	Very high	93.4	Very high	99 Å²	99	68.6 Å²	68.6	39%	0.388	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	5.7	-178.1	-72.2	-85	0	0	0	113.6	K103 V107 K206 I208 E212	K103-Y210 HydrophobicContact CB-CE2 4.17Å; K103-Y210 WeakPolarHBondContact O-CE2 3.36Å; K103-Y210 PolarHBondContact O-OH 2.94Å; V107-Y210 HydrophobicContact CG2-CE1 4.27Å; V107-Y210 HydrophobicContact CG2-CE2 3.98Å; V107-Y210 WeakPolarHBondContact CG2-OH 3.25Å; K206-Y210 HydrophobicContact CB-CD2 4.48Å; K206-Y210 HydrophobicContact CG-CD2 3.58Å; K206-Y210 HydrophobicContact CG-CE2 3.94Å; K206-Y210 WeakPolarHBondContact O-CB 3.49Å; K206-Y210 WeakPolarHBondContact O-CD2 2.94Å; K206-Y210 PolarHBondContact O-N 3.34Å; I208-Y210 PolarHBondContact O-N 2.98Å; Y210-E212 VanDerWaalsContact C-N 3.26Å; Y210-E212 PolarHBondContact O-N 3.3Å
211	N	93.3	Very high	93.1	Very high	124 Å²	124	69.4 Å²	69.4	66%	0.663	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	38	-176.6	-162.6	29.9	0	0	0	115.2	E207 I208 I209 R214	E207-N211 CarbonylContact O-C 3.59Å; E207-N211 WeakPolarHBondContact O-CA 3.35Å; E207-N211 PolarHBondContact O-N 3.15Å; I208-N211 PolarHBondContact O-N 3.36Å; I209-N211 VanDerWaalsContact C-N 3.28Å; I209-N211 PolarHBondContact O-N 3.44Å; N211-R214 VanDerWaalsContact C-NH1 3.26Å; N211-R214 PolarHBondContact O-NH1 2.9Å; N211-R214 PolarHBondContact OD1-NH1 2.7Å; N211-R214 PolarHBondContact OD1-NH2 2.85Å
212	E	94.7	Very high	92.9	Very high	75 Å²	75	73.6 Å²	73.6	35%	0.35	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-87.9	171.9	-178.8	-60.6	179.4	-164.1	0	0	112.8	K206 E207 Y210 R214	K206-E212 IonicContact NZ-OE1 3.17Å; K206-E212 PolarHBondContact NZ-OE1 2.8Å; K206-E212 IonicContact NZ-OE2 3.78Å; K206-E212 PolarHBondContact NZ-OE2 3.38Å; E207-E212 HydrophobicContact CB-CB 4.45Å; E207-E212 HydrophobicContact CG-CB 4.37Å; E207-E212 PolarHBondContact O-N 3.22Å; Y210-E212 VanDerWaalsContact C-N 3.26Å; Y210-E212 PolarHBondContact O-N 3.3Å; E212-R214 WeakPolarHBondContact O-CD 3.41Å; E212-R214 PolarHBondContact O-N 3.34Å; E212-R214 PolarHBondContact O-NE 3.08Å; E212-R214 PolarHBondContact O-NH1 3.05Å
213	K	93.6	Very high	92.9	Very high	187 Å²	187	73.8 Å²	73.8	81%	0.813	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-61.3	122.9	176.1	-175.7	176.8	-179.7	176.7	0	111
214	R	91.7	Very high	92.8	Very high	63 Å²	63	70.1 Å²	70.1	24%	0.238	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-81.5	135.8	-178.1	-70.5	84.6	-173.9	164.4	-16.7	111.7	E207 I208 N211 E212	E207-R214 HydrophobicContact CB-CG 4.25Å; E207-R214 PolarHBondContact O-NE 3.3Å; E207-R214 PolarHBondContact O-NH2 3.38Å; E207-R214 WeakPolarHBondContact OE2-CA 3.13Å; I208-R214 HydrophobicContact CD1-CG 4.32Å; I208-R214 PolarHBondContact O-NH2 3.25Å; N211-R214 VanDerWaalsContact C-NH1 3.26Å; N211-R214 PolarHBondContact O-NH1 2.9Å; N211-R214 PolarHBondContact OD1-NH1 2.7Å; N211-R214 PolarHBondContact OD1-NH2 2.85Å; E212-R214 WeakPolarHBondContact O-CD 3.41Å; E212-R214 PolarHBondContact O-N 3.34Å; E212-R214 PolarHBondContact O-NE 3.08Å; E212-R214 PolarHBondContact O-NH1 3.05Å
215	V	89.1	Confident	92.6	Very high	58 Å²	58	72.2 Å²	72.2	35%	0.352	34%	0.341	S	S	.	.			trans	-109.4	132.2	178.4	-179.6	0	0	0	0	110.5	E207 K217 F219	E207-V215 PolarHBondContact OE2-N 3.08Å; V215-K217 HydrophobicContact CG1-CB 4.03Å; V215-F219 WeakPolarHBondContact O-CE2 3.44Å
216	R	87.9	Confident	92.5	Very high	155 Å²	155	78 Å²	78	59%	0.585	37%	0.371	S	S	*	.			trans	-96.9	-12.3	177.3	-63.6	-176	-175.1	-172.2	0.1	114.2	F219 Q225	R216-F219 WeakPolarHBondContact O-CD2 3.28Å; R216-Q225 VanDerWaalsContact NE-CD 3.33Å
217	K	90.5	Very high	92.5	Very high	186 Å²	186	77.9 Å²	77.9	81%	0.809	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	133.8	-176.9	-173.7	178.2	-179.9	179	0	110.5	V215	V215-K217 HydrophobicContact CG1-CB 4.03Å
218	G	88.7	Confident	92.5	Very high	47 Å²	47	82 Å²	82	49%	0.485	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	97	9.4	176.2	0	0	0	0	0	115	K198	K198-G218 WeakPolarHBondContact CE-O 3.37Å
219	F	92.4	Very high	92.5	Very high	29 Å²	29	81.7 Å²	81.7	13%	0.127	39%	0.393	C	S	.	.			trans	-110.8	139.7	172.7	-59.7	-71.6	0	0	0	109.9	P175 E176 Q200 W204 V215 R216 K221 P223	P175-F219 HydrophobicContact CB-CD1 4.44Å; P175-F219 HydrophobicContact CB-CE1 3.99Å; P175-F219 HydrophobicContact CG-CE1 4.04Å; E176-F219 VanDerWaalsContact CD-CD1 3.42Å; E176-F219 HydrophobicContact CG-CB 3.79Å; E176-F219 HydrophobicContact CG-CD1 3.89Å; E176-F219 HydrophobicContact CG-CG 4.24Å; E176-F219 WeakPolarHBondContact OE1-CD1 3.48Å; Q200-F219 HydrophobicContact CB-CE1 3.81Å; Q200-F219 HydrophobicContact CB-CZ 3.76Å; Q200-F219 WeakPolarHBondContact O-CZ 3.35Å; W204-F219 HydrophobicContact CB-CZ 3.86Å; V215-F219 WeakPolarHBondContact O-CE2 3.44Å; R216-F219 WeakPolarHBondContact O-CD2 3.28Å; F219-K221 VanDerWaalsContact C-N 3.32Å; F219-K221 WeakPolarHBondContact CB-O 3.16Å; F219-P223 HydrophobicContact CD1-CG 4.32Å; F219-P223 HydrophobicContact CD2-CG 3.65Å; F219-P223 HydrophobicContact CE1-CG 4.43Å; F219-P223 HydrophobicContact CE2-CG 3.81Å; F219-P223 HydrophobicContact CG-CG 3.93Å; F219-P223 HydrophobicContact CZ-CG 4.19Å
220	W	88.5	Confident	92.4	Very high	172 Å²	172	84 Å²	84	65%	0.652	41%	0.406	S	S	*	.	S	Bend	trans	-75.5	-24.3	178.7	60.3	-92.2	0	0	0	112.4	Y174 E176	Y174-W220 AromaticContact CE2-CZ2 3.96Å; Y174-W220 HydrophobicContact CE2-CZ2 3.96Å; Y174-W220 AromaticContact CE2-NE1 3.91Å; E176-W220 HydrophobicContact CB-CD2 4.35Å; E176-W220 HydrophobicContact CB-CH2 4.36Å; E176-W220 HydrophobicContact CB-CZ2 3.52Å; E176-W220 HydrophobicContact CG-CD2 4.44Å; E176-W220 HydrophobicContact CG-CG 4.42Å; E176-W220 HydrophobicContact CG-CZ2 4.42Å; E176-W220 PolarHBondContact OE1-NE1 3.22Å
221	K	90.1	Very high	92.3	Very high	79 Å²	79	82 Å²	82	34%	0.343	40%	0.404	S	S	.	.	S	Bend	trans	-131.9	136.7	168.7	165.4	-178.5	167.7	-158.1	0	107.8	D154 E176 F219 P223	D154-K221 IonicContact OD2-NZ 3.24Å; D154-K221 PolarHBondContact OD2-NZ 3.35Å; E176-K221 HydrophobicContact CB-CB 4.21Å; E176-K221 WeakPolarHBondContact CG-O 3.39Å; E176-K221 WeakPolarHBondContact O-CD 3.3Å; E176-K221 WeakPolarHBondContact O-CE 3.44Å; E176-K221 PolarHBondContact O-NZ 2.92Å; F219-K221 VanDerWaalsContact C-N 3.32Å; F219-K221 WeakPolarHBondContact CB-O 3.16Å; K221-P223 WeakPolarHBondContact O-CD 3.24Å
222	P	92.1	Very high	92.1	Very high	88 Å²	88	77.9 Å²	77.9	57%	0.571	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-59.1	123.5	-179.7	-24.1	33.8	0	0	0	111.7
223	P	95.4	Very high	92.1	Very high	4 Å²	4	77.2 Å²	77.2	3%	0.026	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-77.2	161.5	175.5	33.6	-37	0	0	0	111	P175 W204 F219 K221 Q225	P175-P223 HydrophobicContact CB-CB 3.56Å; P175-P223 HydrophobicContact CB-CG 4.26Å; P175-P223 VanDerWaalsContact O-CB 3.31Å; P175-P223 WeakPolarHBondContact O-CB 3.36Å; W204-P223 HydrophobicContact CG-CG 4.48Å; F219-P223 HydrophobicContact CD1-CG 4.32Å; F219-P223 HydrophobicContact CD2-CG 3.65Å; F219-P223 HydrophobicContact CE1-CG 4.43Å; F219-P223 HydrophobicContact CE2-CG 3.81Å; F219-P223 HydrophobicContact CG-CG 3.93Å; F219-P223 HydrophobicContact CZ-CG 4.19Å; K221-P223 WeakPolarHBondContact O-CD 3.24Å; P223-Q225 PolarHBondContact O-N 2.77Å; P223-Q225 PolarHBondContact O-NE2 3.01Å; P223-Q225 VanDerWaalsContact O-NE2 3.08Å
224	P	94.6	Very high	92.1	Very high	23 Å²	23	68.7 Å²	68.7	15%	0.149	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-53.9	130.2	175.2	-23.7	32.9	0	0	0	111.3	P175 A178 W204 I226	P175-P224 WeakPolarHBondContact O-CD 3.35Å; A178-P224 HydrophobicContact CB-CG 4.14Å; A178-P224 VanDerWaalsContact O-CG 3.31Å; A178-P224 WeakPolarHBondContact O-CG 3.44Å; W204-P224 PolarHBondContact NE1-O 3.15Å; P224-I226 VanDerWaalsContact CB-O 3.26Å; P224-I226 WeakPolarHBondContact CB-O 3.23Å
225	Q	93.6	Very high	92.2	Very high	44 Å²	44	66.1 Å²	66.1	21%	0.206	33%	0.334	C	S	.	.	S	Bend	trans	-81.7	-26.1	174.9	-60	-59.7	-86.7	0	0	112.1	I208 R216 P223	I208-Q225 WeakPolarHBondContact CD1-O 3.48Å; R216-Q225 VanDerWaalsContact NE-CD 3.33Å; P223-Q225 PolarHBondContact O-N 2.77Å; P223-Q225 PolarHBondContact O-NE2 3.01Å; P223-Q225 VanDerWaalsContact O-NE2 3.08Å
226	I	93.1	Very high	92.5	Very high	123 Å²	123	63.4 Å²	63.4	63%	0.631	32%	0.318	S	S	*	.	S	Bend	trans	-119.1	131.9	170.2	-60.1	171.6	0	0	0	105.4	P224 L228	P224-I226 VanDerWaalsContact CB-O 3.26Å; P224-I226 WeakPolarHBondContact CB-O 3.23Å; I226-L228 HydrophobicContact CG2-CD2 3.89Å; I226-L228 HydrophobicContact CG2-CG 4.48Å
227	W	95.5	Very high	92.9	Very high	16 Å²	16	56.2 Å²	56.2	6%	0.061	29%	0.291	C	S	.	.			trans	-131.9	117	178.2	-173.2	65.1	0	0	0	108.7	F173 S179 P182 M192 W204 L205 I208 G229 I234	F173-W227 HydrophobicContact CE1-CZ2 4.47Å; F173-W227 AromaticContact CE2-CZ2 3.97Å; F173-W227 HydrophobicContact CE2-CZ2 3.97Å; F173-W227 AromaticContact CZ-CH2 3.95Å; F173-W227 HydrophobicContact CZ-CH2 3.95Å; F173-W227 AromaticContact CZ-CZ2 3.72Å; F173-W227 HydrophobicContact CZ-CZ2 3.72Å; S179-W227 PolarHBondContact O-NE1 3.43Å; P182-W227 HydrophobicContact CG-CZ2 4.22Å; M192-W227 HydrophobicContact CB-CH2 4.36Å; M192-W227 HydrophobicContact CE-CZ2 4.08Å; M192-W227 HydrophobicContact CG-CH2 4.48Å; M192-W227 HydrophobicContact CG-CZ2 4.45Å; W204-W227 HydrophobicContact CH2-CB 4.41Å; W204-W227 HydrophobicContact CH2-CD2 4.06Å; W204-W227 AromaticContact CH2-CG 4Å; W204-W227 HydrophobicContact CH2-CG 4Å; W204-W227 HydrophobicContact CZ2-CB 4.14Å; W204-W227 HydrophobicContact CZ2-CG 4.14Å; L205-W227 HydrophobicContact CD1-CZ3 4.32Å; I208-W227 HydrophobicContact CD1-CB 4.1Å; I208-W227 HydrophobicContact CG1-CB 4.4Å; I208-W227 HydrophobicContact CG2-CB 4.08Å; I208-W227 HydrophobicContact CG2-CE3 4.13Å; W227-G229 PolarHBondContact O-N 3.09Å; W227-I234 HydrophobicContact CH2-CD1 3.92Å; W227-I234 HydrophobicContact CH2-CG1 3.98Å; W227-I234 HydrophobicContact CZ3-CD1 3.61Å; W227-I234 HydrophobicContact CZ3-CG1 4.14Å
228	L	95.9	Very high	93.1	Very high	97 Å²	97	48.2 Å²	48.2	51%	0.508	26%	0.257	S	S	.	.			trans	-91.3	26.5	-175.5	-55.3	-178.7	0	0	0	111.9	Y180 N181 I226	Y180-L228 HydrophobicContact CD2-CD1 4.35Å; Y180-L228 HydrophobicContact CE2-CD1 4.15Å; Y180-L228 PolarHBondContact O-N 3.39Å; N181-L228 HydrophobicContact CB-CB 4.45Å; N181-L228 HydrophobicContact CB-CD1 4.28Å; I226-L228 HydrophobicContact CG2-CD2 3.89Å; I226-L228 HydrophobicContact CG2-CG 4.48Å
229	G	93.8	Very high	93.4	Very high	12 Å²	12	46.1 Å²	46.1	12%	0.124	24%	0.235	C	C	.	.			trans	-75.3	143.7	174.8	0	0	0	0	0	111.7	W227 V231	W227-G229 PolarHBondContact O-N 3.09Å; G229-V231 PolarHBondContact O-N 3.42Å
230	D	92.6	Very high	93.3	Very high	82 Å²	82	50.1 Å²	50.1	44%	0.439	25%	0.25	S	S	.	.			trans	-71.4	113.5	172.6	179.8	-7.8	0	0	0	109.8	S232 K233	D230-S232 PolarHBondContact O-N 2.92Å; D230-S232 VanDerWaalsContact OD1-CB 3.3Å; D230-S232 WeakPolarHBondContact OD1-CB 3.45Å; D230-S232 PolarHBondContact OD1-N 3.21Å; D230-S232 PolarHBondContact OD1-OG 3.31Å; D230-S232 PolarHBondContact OD2-OG 3.45Å; D230-S232 VanDerWaalsContact OD2-OG 3.04Å; D230-K233 HydrophobicContact CB-CB 4.46Å; D230-K233 HydrophobicContact CB-CG 3.83Å; D230-K233 PolarHBondContact O-N 3.2Å; D230-K233 WeakPolarHBondContact OD2-CE 3.33Å
231	V	90.8	Very high	93.5	Very high	59 Å²	59	42 Å²	42	36%	0.358	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-61	-27.3	-178	-55.8	0	0	0	0	112.8	I209 G229 K233 I234	I209-V231 HydrophobicContact CG1-CG1 4.22Å; G229-V231 PolarHBondContact O-N 3.42Å; V231-K233 PolarHBondContact O-N 2.9Å; V231-I234 HydrophobicContact CB-CD1 4.37Å; V231-I234 WeakPolarHBondContact O-CG1 3.44Å; V231-I234 PolarHBondContact O-N 2.95Å
232	S	90.6	Very high	93.7	Very high	36 Å²	36	38.4 Å²	38.4	25%	0.252	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-71.3	-18.9	178.6	76.3	0	0	0	0	113.2	D230 R235	D230-S232 PolarHBondContact O-N 2.92Å; D230-S232 VanDerWaalsContact OD1-CB 3.3Å; D230-S232 WeakPolarHBondContact OD1-CB 3.45Å; D230-S232 PolarHBondContact OD1-N 3.21Å; D230-S232 PolarHBondContact OD1-OG 3.31Å; D230-S232 PolarHBondContact OD2-OG 3.45Å; D230-S232 VanDerWaalsContact OD2-OG 3.04Å; S232-R235 PolarHBondContact O-NH1 2.74Å; S232-R235 VanDerWaalsContact O-NH1 3.1Å
233	K	92.9	Very high	93.7	Very high	61 Å²	61	36.3 Å²	36.3	27%	0.265	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-92.3	-3.5	179.3	-53.9	-57.8	-179.3	-175.7	0	113.2	T190 M192 D230 V231	T190-K233 WeakPolarHBondContact O-CB 3.43Å; M192-K233 PolarHBondContact N-O 2.57Å; D230-K233 HydrophobicContact CB-CB 4.46Å; D230-K233 HydrophobicContact CB-CG 3.83Å; D230-K233 PolarHBondContact O-N 3.2Å; D230-K233 WeakPolarHBondContact OD2-CE 3.33Å; V231-K233 PolarHBondContact O-N 2.9Å
234	I	93.8	Very high	93.5	Very high	8 Å²	8	37.1 Å²	37.1	4%	0.041	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	137.1	-178.2	-58.2	178.7	0	0	0	110.1	S108 M192 L205 I209 W227 V231	S108-I234 PolarHBondContact OG-O 3.3Å; M192-I234 CarbonylContact O-C 3.56Å; M192-I234 WeakPolarHBondContact O-CA 3.5Å; L205-I234 HydrophobicContact CD1-CD1 3.73Å; L205-I234 HydrophobicContact CD2-CD1 4.18Å; L205-I234 HydrophobicContact CD2-CG2 3.98Å; I209-I234 HydrophobicContact CD1-CD1 4.23Å; W227-I234 HydrophobicContact CH2-CD1 3.92Å; W227-I234 HydrophobicContact CH2-CG1 3.98Å; W227-I234 HydrophobicContact CZ3-CD1 3.61Å; W227-I234 HydrophobicContact CZ3-CG1 4.14Å; V231-I234 HydrophobicContact CB-CD1 4.37Å; V231-I234 WeakPolarHBondContact O-CG1 3.44Å; V231-I234 PolarHBondContact O-N 2.95Å
235	R	95	Very high	93.5	Very high	9 Å²	9	36 Å²	36	3%	0.034	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	140.4	167	-61.6	-64.7	-179.5	-83.5	0.4	108.7	F73 N110 Y111 D112 L191 M192 V193 L194 S232	F73-R235 HydrophobicContact CB-CB 4.31Å; F73-R235 HydrophobicContact CD1-CB 3.6Å; F73-R235 HydrophobicContact CD1-CG 4.39Å; F73-R235 HydrophobicContact CD2-CB 3.8Å; F73-R235 HydrophobicContact CD2-CG 3.69Å; F73-R235 HydrophobicContact CE1-CB 3.74Å; F73-R235 HydrophobicContact CE1-CG 4.37Å; F73-R235 HydrophobicContact CE2-CB 3.89Å; F73-R235 HydrophobicContact CE2-CG 3.62Å; F73-R235 HydrophobicContact CG-CB 3.64Å; F73-R235 HydrophobicContact CG-CG 4.07Å; F73-R235 HydrophobicContact CZ-CB 3.88Å; F73-R235 HydrophobicContact CZ-CG 3.99Å; N110-R235 PolarHBondContact O-NE 3.35Å; N110-R235 PolarHBondContact O-NH1 3.23Å; N110-R235 PolarHBondContact O-NH2 3.34Å; N110-R235 PolarHBondContact OD1-NH2 3.23Å; Y111-R235 VanDerWaalsContact C-NE 3.3Å; Y111-R235 WeakPolarHBondContact O-CD 3.42Å; D112-R235 PolarHBondContact O-NE 2.92Å; D112-R235 PolarHBondContact O-NH2 2.92Å; L191-R235 HydrophobicContact CD1-CG 4.37Å; M192-R235 PolarHBondContact O-N 2.81Å; V193-R235 CarbonylContact C-O 3.56Å; V193-R235 WeakPolarHBondContact CA-O 3.49Å; V193-R235 HydrophobicContact CG2-CB 4.44Å; L194-R235 PolarHBondContact N-O 3.44Å; S232-R235 PolarHBondContact O-NH1 2.74Å; S232-R235 VanDerWaalsContact O-NH1 3.1Å
236	V	95.8	Very high	93.4	Very high	2 Å²	2	34 Å²	34	1%	0.012	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	116.3	173.6	-176.2	0	0	0	0	107.5	F73 L74 L101 V104 L105 L194 P196	F73-V236 CarbonylContact C-O 3.56Å; F73-V236 VanDerWaalsContact CA-O 3.23Å; F73-V236 WeakPolarHBondContact CA-O 3.29Å; L74-V236 HydrophobicContact CD1-CG1 4.12Å; L74-V236 PolarHBondContact N-O 2.84Å; L101-V236 HydrophobicContact CD2-CG1 3.99Å; V104-V236 HydrophobicContact CG1-CG2 3.86Å; L105-V236 HydrophobicContact CD2-CB 4.28Å; L105-V236 HydrophobicContact CD2-CG2 3.98Å; L194-V236 HydrophobicContact CD2-CG2 4.43Å; P196-V236 HydrophobicContact CG-CG1 4.11Å
237	L	96	Very high	93.2	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.016	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-63.8	135.1	177.2	-171.8	72.7	0	0	0	110.1	L72 F73 F172 V193 L194 V195 P239 F241 L269 V273	L72-L237 WeakPolarHBondContact O-CD1 3.35Å; F73-L237 HydrophobicContact CD1-CD1 4.43Å; F73-L237 HydrophobicContact CE1-CD1 4.4Å; F172-L237 HydrophobicContact CD2-CD2 4.49Å; F172-L237 HydrophobicContact CE2-CD1 4.34Å; F172-L237 HydrophobicContact CE2-CD2 3.99Å; F172-L237 HydrophobicContact CZ-CD1 4.49Å; V193-L237 HydrophobicContact CG1-CB 3.95Å; V193-L237 HydrophobicContact CG1-CD1 4.42Å; L194-L237 PolarHBondContact O-N 3.32Å; V195-L237 HydrophobicContact CG2-CD2 4.2Å; L237-P239 VanDerWaalsContact O-CD 3.3Å; L237-P239 WeakPolarHBondContact O-CD 3.21Å; L237-F241 HydrophobicContact CD1-CD2 4.19Å; L237-F241 HydrophobicContact CD2-CB 4.43Å; L237-F241 HydrophobicContact CG-CD2 4.49Å; L237-L269 HydrophobicContact CD2-CD1 4.05Å; L237-L269 HydrophobicContact CD2-CD2 3.7Å; L237-L269 HydrophobicContact CD2-CG 4.07Å; L237-V273 HydrophobicContact CD1-CG2 4.08Å; L237-V273 HydrophobicContact CD2-CG2 4.2Å
238	D	94.1	Very high	92.9	Very high	18 Å²	18	33.7 Å²	33.7	10%	0.096	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-63.6	120.8	174.8	-166.3	-36.1	0	0	0	110	L72 L74 R82 Y240 F241	L72-D238 PolarHBondContact O-N 2.94Å; L74-D238 HydrophobicContact CD2-CB 4Å; L74-D238 WeakPolarHBondContact CD2-OD2 3.33Å; L74-D238 HydrophobicContact CG-CB 4.28Å; R82-D238 IonicContact CZ-OD2 2.67Å; R82-D238 IonicContact NH1-OD2 3.43Å; R82-D238 PolarHBondContact NH1-OD2 2.66Å; R82-D238 IonicContact NH2-OD2 3.42Å; D238-Y240 PolarHBondContact O-N 3.38Å; D238-Y240 WeakPolarHBondContact OD1-CB 3.43Å; D238-Y240 PolarHBondContact OD1-N 3.4Å; D238-F241 HydrophobicContact CB-CD2 4.12Å; D238-F241 HydrophobicContact CB-CE2 4.28Å; D238-F241 PolarHBondContact O-N 3.23Å
239	P	94.3	Very high	92.6	Very high	4 Å²	4	30.2 Å²	30.2	3%	0.026	15%	0.151	C	C	.	.	H	α-helix	trans	-53.7	-18.7	176.8	-29.8	38.3	0	0	0	114.4	L90 I94 P196 L237 F241 L242 H243	L90-P239 HydrophobicContact CD2-CB 4.49Å; L90-P239 HydrophobicContact CD2-CG 3.83Å; I94-P239 HydrophobicContact CG2-CG 3.91Å; P196-P239 HydrophobicContact CG-CG 4.3Å; L237-P239 VanDerWaalsContact O-CD 3.3Å; L237-P239 WeakPolarHBondContact O-CD 3.21Å; P239-F241 PolarHBondContact O-N 2.75Å; P239-L242 PolarHBondContact O-N 2.77Å; P239-H243 PolarHBondContact O-N 2.84Å
240	Y	91.2	Very high	92.5	Very high	113 Å²	113	29.9 Å²	29.9	44%	0.443	15%	0.146	S	C	.	.	H	α-helix	trans	-46.6	-45.1	168.1	175.1	-98.6	0	0	0	112.6	D238 L242 H243 Q244	D238-Y240 PolarHBondContact O-N 3.38Å; D238-Y240 WeakPolarHBondContact OD1-CB 3.43Å; D238-Y240 PolarHBondContact OD1-N 3.4Å; Y240-L242 PolarHBondContact O-N 3.48Å; Y240-H243 WeakPolarHBondContact O-CB 3.31Å; Y240-H243 PolarHBondContact O-N 3.34Å; Y240-Q244 HydrophobicContact CD1-CG 4.01Å; Y240-Q244 HydrophobicContact CD2-CG 4.19Å; Y240-Q244 HydrophobicContact CE1-CG 3.51Å; Y240-Q244 HydrophobicContact CE2-CG 3.73Å; Y240-Q244 HydrophobicContact CG-CG 4.32Å; Y240-Q244 WeakPolarHBondContact O-CG 3.41Å; Y240-Q244 PolarHBondContact O-N 2.73Å
241	F	93.4	Very high	92.3	Very high	1 Å²	1	32.7 Å²	32.7	0%	0.004	16%	0.155	C	C	.	.	H	α-helix	trans	-66.6	-38.4	-177.5	-72.8	-84.1	0	0	0	112.8	T70 L72 L237 D238 P239 Q244 T245 L269 Y272 V273 N276	T70-F241 HydrophobicContact CG2-CE1 3.98Å; T70-F241 HydrophobicContact CG2-CE2 4.3Å; T70-F241 HydrophobicContact CG2-CZ 3.39Å; L72-F241 HydrophobicContact CD2-CE1 3.94Å; L72-F241 HydrophobicContact CD2-CE2 4.03Å; L72-F241 HydrophobicContact CD2-CZ 3.42Å; L72-F241 VanDerWaalsContact CD2-CZ 3.42Å; L237-F241 HydrophobicContact CD1-CD2 4.19Å; L237-F241 HydrophobicContact CD2-CB 4.43Å; L237-F241 HydrophobicContact CG-CD2 4.49Å; D238-F241 HydrophobicContact CB-CD2 4.12Å; D238-F241 HydrophobicContact CB-CE2 4.28Å; D238-F241 PolarHBondContact O-N 3.23Å; P239-F241 PolarHBondContact O-N 2.75Å; F241-Q244 PolarHBondContact O-N 2.88Å; F241-T245 WeakPolarHBondContact O-CB 3.32Å; F241-T245 PolarHBondContact O-N 2.9Å; F241-T245 PolarHBondContact O-OG1 3.17Å; F241-L269 HydrophobicContact CB-CD1 4.03Å; F241-Y272 HydrophobicContact CD1-CD1 4.36Å; F241-Y272 HydrophobicContact CD1-CE1 4.43Å; F241-V273 HydrophobicContact CB-CG2 3.91Å; F241-V273 HydrophobicContact CD1-CG2 3.86Å; F241-V273 HydrophobicContact CG-CG2 3.93Å; F241-N276 HydrophobicContact CE1-CB 3.95Å
242	L	94.2	Very high	92	Very high	4 Å²	4	31 Å²	31	2%	0.021	14%	0.143	C	C	.	.	H	α-helix	trans	-68.6	-39.9	175.5	-168.7	78	0	0	0	111	P91 Y92 F197 P239 Y240 T245 A246 P264 L269	P91-L242 HydrophobicContact CB-CD2 3.42Å; P91-L242 VanDerWaalsContact CB-CD2 3.42Å; P91-L242 HydrophobicContact CG-CD2 3.79Å; P91-L242 WeakPolarHBondContact O-CD2 3.37Å; Y92-L242 HydrophobicContact CD1-CD2 4.22Å; Y92-L242 HydrophobicContact CD1-CG 4.33Å; Y92-L242 HydrophobicContact CE1-CD2 4.08Å; Y92-L242 HydrophobicContact CE1-CG 4.14Å; F197-L242 HydrophobicContact CD1-CD2 4.14Å; F197-L242 HydrophobicContact CE1-CD1 4.28Å; F197-L242 HydrophobicContact CE1-CD2 4.04Å; P239-L242 PolarHBondContact O-N 2.77Å; Y240-L242 PolarHBondContact O-N 3.48Å; L242-T245 PolarHBondContact O-N 3.07Å; L242-A246 WeakPolarHBondContact O-CB 3.38Å; L242-A246 PolarHBondContact O-N 2.91Å; L242-P264 HydrophobicContact CD1-CB 3.87Å; L242-P264 HydrophobicContact CD1-CG 3.76Å; L242-P264 HydrophobicContact CG-CG 4.23Å; L242-L269 HydrophobicContact CB-CD1 4.19Å; L242-L269 HydrophobicContact CD1-CB 4.22Å; L242-L269 HydrophobicContact CD1-CD1 4.03Å; L242-L269 HydrophobicContact CD1-CD2 3.88Å; L242-L269 HydrophobicContact CD1-CG 4.26Å
243	H	92.2	Very high	91.4	Very high	43 Å²	43	31.2 Å²	31.2	20%	0.199	14%	0.141	C	C	.	.	H	α-helix	trans	-59.9	-47.6	173.4	179	-91.1	0	0	0	111.6	Y92 P239 Y240 T245 A246 D247 L253	Y92-H243 HydrophobicContact CD1-CB 4.12Å; Y92-H243 HydrophobicContact CG-CB 4.47Å; P239-H243 PolarHBondContact O-N 2.84Å; Y240-H243 WeakPolarHBondContact O-CB 3.31Å; Y240-H243 PolarHBondContact O-N 3.34Å; H243-T245 VanDerWaalsContact C-N 3.34Å; H243-T245 PolarHBondContact O-N 3.46Å; H243-A246 PolarHBondContact O-N 3.35Å; H243-D247 WeakPolarHBondContact O-CB 3.34Å; H243-D247 PolarHBondContact O-N 3.29Å; H243-L253 WeakPolarHBondContact CD2-CD1 3.49Å; H243-L253 WeakPolarHBondContact NE2-CD1 3.29Å
244	Q	91.1	Very high	90	Very high	22 Å²	22	32 Å²	32	10%	0.103	16%	0.155	C	C	.	.	H	α-helix	trans	-64.9	-36.9	176.8	-66.1	-49.2	-52.2	0	0	112.5	Y240 F241 A246 D247 K248 L249 Y272	Y240-Q244 HydrophobicContact CD1-CG 4.01Å; Y240-Q244 HydrophobicContact CD2-CG 4.19Å; Y240-Q244 HydrophobicContact CE1-CG 3.51Å; Y240-Q244 HydrophobicContact CE2-CG 3.73Å; Y240-Q244 HydrophobicContact CG-CG 4.32Å; Y240-Q244 WeakPolarHBondContact O-CG 3.41Å; Y240-Q244 PolarHBondContact O-N 2.73Å; F241-Q244 PolarHBondContact O-N 2.88Å; Q244-A246 VanDerWaalsContact C-N 3.32Å; Q244-A246 PolarHBondContact O-N 2.99Å; Q244-D247 PolarHBondContact O-N 3.09Å; Q244-K248 WeakPolarHBondContact O-CA 3.23Å; Q244-K248 VanDerWaalsContact O-CB 3.3Å; Q244-K248 WeakPolarHBondContact O-CB 3.14Å; Q244-K248 PolarHBondContact O-N 2.89Å; Q244-L249 PolarHBondContact O-N 3.24Å; Q244-Y272 HydrophobicContact CB-CD1 4.44Å; Q244-Y272 HydrophobicContact CB-CE1 3.46Å; Q244-Y272 VanDerWaalsContact CB-CE1 3.46Å; Q244-Y272 WeakPolarHBondContact CB-OH 3.42Å; Q244-Y272 HydrophobicContact CG-CE1 4.44Å
245	T	93.3	Very high	88.4	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.179	C	C	.	.	I	π-helix	trans	-59.8	-46.7	173.5	-56.4	0	0	0	0	110.2	F241 L242 H243 L249 L250 P264 I268 Y272	F241-T245 WeakPolarHBondContact O-CB 3.32Å; F241-T245 PolarHBondContact O-N 2.9Å; F241-T245 PolarHBondContact O-OG1 3.17Å; L242-T245 PolarHBondContact O-N 3.07Å; H243-T245 VanDerWaalsContact C-N 3.34Å; H243-T245 PolarHBondContact O-N 3.46Å; T245-L249 HydrophobicContact CG2-CD2 4.36Å; T245-L249 WeakPolarHBondContact O-CB 3.38Å; T245-L249 PolarHBondContact O-N 2.97Å; T245-L250 PolarHBondContact O-N 2.93Å; T245-P264 HydrophobicContact CG2-CB 3.67Å; T245-P264 HydrophobicContact CG2-CG 3.83Å; T245-I268 HydrophobicContact CG2-CG1 4.41Å; T245-I268 HydrophobicContact CG2-CG2 4.06Å; T245-Y272 VanDerWaalsContact OG1-CB 3.32Å; T245-Y272 WeakPolarHBondContact OG1-CB 3.49Å; T245-Y272 WeakPolarHBondContact OG1-CD1 3.21Å
246	A	92.3	Very high	86	Confident	0 Å²	0	47 Å²	47	0%	0	22%	0.222	C	C	.	.	I	π-helix	trans	-68.8	-39.7	179.5	0	0	0	0	0	113.2	Y92 L242 H243 Q244 L250 K251 I252 L253 P264	Y92-A246 HydrophobicContact CE1-CB 3.69Å; L242-A246 WeakPolarHBondContact O-CB 3.38Å; L242-A246 PolarHBondContact O-N 2.91Å; H243-A246 PolarHBondContact O-N 3.35Å; Q244-A246 VanDerWaalsContact C-N 3.32Å; Q244-A246 PolarHBondContact O-N 2.99Å; A246-L250 CarbonylContact O-C 3.44Å; A246-K251 WeakPolarHBondContact O-CA 3.28Å; A246-K251 PolarHBondContact O-N 3.11Å; A246-I252 HydrophobicContact CB-CD1 3.98Å; A246-I252 HydrophobicContact CB-CG1 3.83Å; A246-I252 WeakPolarHBondContact O-CG1 3.36Å; A246-I252 PolarHBondContact O-N 2.98Å; A246-L253 HydrophobicContact CB-CD1 3.95Å; A246-L253 HydrophobicContact CB-CD2 4.13Å; A246-L253 HydrophobicContact CB-CG 3.76Å; A246-P264 HydrophobicContact CB-CG 3.83Å
247	D	89.5	Confident	83.9	Confident	34 Å²	34	51 Å²	51	18%	0.182	26%	0.263	C	S	.	.	I	π-helix	trans	-82	-55	-177.2	-172.3	50.6	0	0	0	112.7	H243 Q244 K251 L253	H243-D247 WeakPolarHBondContact O-CB 3.34Å; H243-D247 PolarHBondContact O-N 3.29Å; Q244-D247 PolarHBondContact O-N 3.09Å; D247-K251 WeakPolarHBondContact O-CA 3.48Å; D247-K251 PolarHBondContact O-N 2.65Å; D247-L253 HydrophobicContact CB-CD1 4.15Å
248	K	88.3	Confident	81.7	Confident	100 Å²	100	58.9 Å²	58.9	44%	0.435	30%	0.297	S	S	.	.	I	π-helix	trans	-85.6	-47.7	-169.5	-55.9	-58.2	-173.6	-145.4	0	112.3	F64 Q244	F64-K248 HydrophobicContact CD1-CB 3.95Å; F64-K248 HydrophobicContact CE1-CB 3.65Å; Q244-K248 WeakPolarHBondContact O-CA 3.23Å; Q244-K248 VanDerWaalsContact O-CB 3.3Å; Q244-K248 WeakPolarHBondContact O-CB 3.14Å; Q244-K248 PolarHBondContact O-N 2.89Å
249	L	90	Very high	79.6	Confident	24 Å²	24	66.8 Å²	66.8	13%	0.126	33%	0.334	C	S	.	.	I	π-helix	trans	-81	-48.7	-176.9	-179.6	60.2	0	0	0	111.5	F64 Q244 T245 I268 Y272 A322 L326	F64-L249 HydrophobicContact CZ-CB 4.37Å; F64-L249 HydrophobicContact CZ-CD1 4.07Å; Q244-L249 PolarHBondContact O-N 3.24Å; T245-L249 HydrophobicContact CG2-CD2 4.36Å; T245-L249 WeakPolarHBondContact O-CB 3.38Å; T245-L249 PolarHBondContact O-N 2.97Å; L249-I268 HydrophobicContact CD2-CD1 3.84Å; L249-I268 HydrophobicContact CD2-CG1 3.77Å; L249-Y272 HydrophobicContact CB-CD2 3.98Å; L249-Y272 HydrophobicContact CB-CE2 4.28Å; L249-Y272 HydrophobicContact CD2-CD2 4.04Å; L249-A322 HydrophobicContact CD1-CB 4.14Å; L249-A322 HydrophobicContact CG-CB 4.25Å; L249-L326 HydrophobicContact CD1-CD1 3.9Å; L249-L326 HydrophobicContact CD1-CD2 4.19Å; L249-L326 HydrophobicContact CD1-CG 4.13Å; L249-L326 HydrophobicContact CD2-CD1 4.26Å
250	L	90.8	Very high	77.8	Confident	4 Å²	4	70.6 Å²	70.6	2%	0.021	35%	0.353	C	S	.	.	S	Bend	trans	-95.8	-18.8	-176.1	-59.3	-175.4	0	0	0	113.8	T245 A246 I252 P264 I268 H318 E319 A322	T245-L250 PolarHBondContact O-N 2.93Å; A246-L250 CarbonylContact O-C 3.44Å; L250-I252 HydrophobicContact CB-CG1 4.2Å; L250-I252 HydrophobicContact CB-CG2 3.97Å; L250-I252 HydrophobicContact CD1-CD1 4.48Å; L250-I252 PolarHBondContact O-N 3.39Å; L250-I252 VanDerWaalsContact O-N 3.07Å; L250-P264 HydrophobicContact CD1-CB 3.87Å; L250-P264 HydrophobicContact CD1-CG 3.99Å; L250-I268 HydrophobicContact CD1-CG2 4.31Å; L250-I268 HydrophobicContact CD2-CG1 4.31Å; L250-H318 PolarHBondContact O-NE2 2.89Å; L250-E319 HydrophobicContact CD1-CG 4.03Å; L250-E319 HydrophobicContact CD2-CG 4.11Å; L250-A322 HydrophobicContact CD2-CB 3.68Å
251	K	88.5	Confident	76.2	Confident	142 Å²	142	68.8 Å²	68.8	62%	0.617	36%	0.356	S	S	*	.			trans	51.8	31.2	-178.3	-54.7	-174.6	177.8	-174	0	113.9	A246 D247	A246-K251 WeakPolarHBondContact O-CA 3.28Å; A246-K251 PolarHBondContact O-N 3.11Å; D247-K251 WeakPolarHBondContact O-CA 3.48Å; D247-K251 PolarHBondContact O-N 2.65Å
252	I	85.4	Confident	74.9	Confident	22 Å²	22	70.7 Å²	70.7	11%	0.113	37%	0.368	C	S	.	.			trans	-85.8	-23.1	-179.4	58.2	170	0	0	0	112.1	A246 L250 V262	A246-I252 HydrophobicContact CB-CD1 3.98Å; A246-I252 HydrophobicContact CB-CG1 3.83Å; A246-I252 WeakPolarHBondContact O-CG1 3.36Å; A246-I252 PolarHBondContact O-N 2.98Å; L250-I252 HydrophobicContact CB-CG1 4.2Å; L250-I252 HydrophobicContact CB-CG2 3.97Å; L250-I252 HydrophobicContact CD1-CD1 4.48Å; L250-I252 PolarHBondContact O-N 3.39Å; L250-I252 VanDerWaalsContact O-N 3.07Å; I252-V262 HydrophobicContact CD1-CG1 4.37Å
253	L	78.4	Confident	74.3	Confident	41 Å²	41	73.1 Å²	73.1	22%	0.215	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-23.5	176.7	-59.6	-171.5	0	0	0	113.1	Y92 H243 A246 D247 Q255 I260	Y92-L253 HydrophobicContact CD2-CD2 4.38Å; Y92-L253 HydrophobicContact CE1-CD2 4.47Å; Y92-L253 HydrophobicContact CE2-CD2 3.73Å; H243-L253 WeakPolarHBondContact CD2-CD1 3.49Å; H243-L253 WeakPolarHBondContact NE2-CD1 3.29Å; A246-L253 HydrophobicContact CB-CD1 3.95Å; A246-L253 HydrophobicContact CB-CD2 4.13Å; A246-L253 HydrophobicContact CB-CG 3.76Å; D247-L253 HydrophobicContact CB-CD1 4.15Å; L253-Q255 PolarHBondContact O-N 3.43Å; L253-I260 HydrophobicContact CD2-CD1 3.76Å; L253-I260 HydrophobicContact CD2-CG1 4.41Å; L253-I260 HydrophobicContact CD2-CG2 4.19Å
254	S	63.4	Low	74.3	Confident	78 Å²	78	71.1 Å²	71.1	55%	0.545	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-3.2	-179.6	-38.9	0	0	0	0	113.6	K256	S254-K256 PolarHBondContact O-N 2.8Å; S254-K256 VanDerWaalsContact O-N 3.15Å
255	Q	60	Low	74.4	Confident	119 Å²	119	71 Å²	71	56%	0.556	37%	0.371	S	S	*	.			trans	-81	92.7	179.2	-62.1	-172.3	6.4	0	0	110.3	L253 G257	L253-Q255 PolarHBondContact O-N 3.43Å; Q255-G257 PolarHBondContact O-N 2.77Å
256	K	44.2	Very low	74.5	Confident	214 Å²	214	71.3 Å²	71.3	93%	0.93	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	133.6	176.8	-72.8	-175.1	177	-179.6	0	111.3	S254	S254-K256 PolarHBondContact O-N 2.8Å; S254-K256 VanDerWaalsContact O-N 3.15Å
257	G	51.5	Low	74.7	Confident	85 Å²	85	71.7 Å²	71.7	88%	0.876	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.6	-1.1	162.7	0	0	0	0	0	117.5	Q255	Q255-G257 PolarHBondContact O-N 2.77Å
258	K	48.9	Very low	75.1	Confident	169 Å²	169	70.1 Å²	70.1	74%	0.735	37%	0.369	S	S	*	.	S	Bend	trans	-113.5	137	170.9	-76.4	-177	178.7	177.4	0	110.8	I260	K258-I260 PolarHBondContact O-N 3.08Å
259	Q	50.5	Low	75.5	Confident	184 Å²	184	65.4 Å²	65.4	86%	0.86	35%	0.348	S	S	*	.			trans	-53.9	125.2	165.5	-169.1	149.2	-0.4	0	0	107.8	S261	Q259-S261 PolarHBondContact O-N 3.41Å
260	I	56.1	Low	75.9	Confident	84 Å²	84	64.2 Å²	64.2	43%	0.431	34%	0.342	S	S	.	.			trans	-68.6	83.3	-177.9	-57.4	160.2	0	0	0	107.5	Y92 L253 K258 V262	Y92-I260 HydrophobicContact CE2-CG2 4.1Å; L253-I260 HydrophobicContact CD2-CD1 3.76Å; L253-I260 HydrophobicContact CD2-CG1 4.41Å; L253-I260 HydrophobicContact CD2-CG2 4.19Å; K258-I260 PolarHBondContact O-N 3.08Å; I260-V262 VanDerWaalsContact C-N 3.27Å; I260-V262 VanDerWaalsContact CG2-O 3.28Å; I260-V262 WeakPolarHBondContact CG2-O 3.37Å
261	S	58.8	Low	76.2	Confident	74 Å²	74	64 Å²	64	52%	0.517	34%	0.341	S	S	.	.			trans	-87.1	-1.9	176.6	62.3	0	0	0	0	112.2	Q259	Q259-S261 PolarHBondContact O-N 3.41Å
262	V	66.5	Low	76.5	Confident	42 Å²	42	57.7 Å²	57.7	26%	0.255	31%	0.313	S	S	.	.			trans	-118.9	128.3	-177.2	-177.4	0	0	0	0	109.8	Y92 I252 I260 Y313 D315	Y92-V262 PolarHBondContact OH-O 2.85Å; I252-V262 HydrophobicContact CD1-CG1 4.37Å; I260-V262 VanDerWaalsContact C-N 3.27Å; I260-V262 VanDerWaalsContact CG2-O 3.28Å; I260-V262 WeakPolarHBondContact CG2-O 3.37Å; V262-Y313 WeakPolarHBondContact CA-O 3.5Å; V262-Y313 WeakPolarHBondContact CB-O 3.43Å; V262-Y313 WeakPolarHBondContact CG1-O 3.41Å; V262-Y313 WeakPolarHBondContact CG2-O 3.16Å; V262-D315 HydrophobicContact CG1-CB 4.32Å
263	H	80.5	Confident	76.9	Confident	55 Å²	55	56.6 Å²	56.6	26%	0.255	31%	0.308	S	S	.	.			trans	-121.6	153	172.2	-53.4	-42.6	0	0	0	108.8	Y92 H314	Y92-H263 AromaticContact CE2-ND1 3.9Å; Y92-H263 AromaticContact CZ-ND1 3.53Å; Y92-H263 PolarHBondContact OH-ND1 3.25Å; H263-H314 PolarHBondContact O-CE1 3.5Å; H263-H314 PolarHBondContact O-ND1 3.38Å
264	P	91.7	Very high	77.7	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.297	C	S	.	.			trans	-57.9	143.3	174.3	-17.5	27.2	0	0	0	111.8	L242 T245 A246 L250 I268	L242-P264 HydrophobicContact CD1-CB 3.87Å; L242-P264 HydrophobicContact CD1-CG 3.76Å; L242-P264 HydrophobicContact CG-CG 4.23Å; T245-P264 HydrophobicContact CG2-CB 3.67Å; T245-P264 HydrophobicContact CG2-CG 3.83Å; A246-P264 HydrophobicContact CB-CG 3.83Å; L250-P264 HydrophobicContact CD1-CB 3.87Å; L250-P264 HydrophobicContact CD1-CG 3.99Å; P264-I268 HydrophobicContact CB-CG2 3.53Å
265	T	93.8	Very high	79.1	Confident	19 Å²	19	51.7 Å²	51.7	12%	0.117	28%	0.275	C	S	.	.			trans	-62.7	158.3	168.8	66.3	0	0	0	0	111.4	G267 I268 L269 H314 L316 E319	T265-G267 PolarHBondContact O-N 3.39Å; T265-G267 PolarHBondContact OG1-N 2.8Å; T265-I268 WeakPolarHBondContact O-CG2 3.41Å; T265-I268 PolarHBondContact O-N 3.39Å; T265-I268 PolarHBondContact OG1-N 3.41Å; T265-L269 WeakPolarHBondContact O-CB 3.18Å; T265-L269 PolarHBondContact O-N 3.03Å; T265-L269 VanDerWaalsContact O-N 3.09Å; T265-H314 HydrophobicContact CG2-CB 3.79Å; T265-H314 VanDerWaalsContact CG2-CG 3.48Å; T265-L316 HydrophobicContact CG2-CD2 4.14Å; T265-E319 WeakPolarHBondContact CB-OE2 3.36Å; T265-E319 WeakPolarHBondContact CG2-OE1 3.49Å; T265-E319 WeakPolarHBondContact CG2-OE2 3.43Å; T265-E319 PolarHBondContact N-OE1 2.91Å; T265-E319 PolarHBondContact OG1-OE2 3.03Å
266	T	96	Very high	80.4	Confident	8 Å²	8	46.4 Å²	46.4	5%	0.049	25%	0.251	C	S	.	.	H	α-helix	trans	-57.7	-30.5	171.4	-45.3	0	0	0	0	111.9	L152 F172 V195 A270	L152-T266 HydrophobicContact CD2-CG2 4.21Å; F172-T266 HydrophobicContact CB-CG2 3.78Å; V195-T266 HydrophobicContact CG2-CG2 4.48Å; T266-A270 WeakPolarHBondContact O-CB 3.42Å; T266-A270 PolarHBondContact O-N 3.07Å
267	G	96.9	Very high	82.5	Confident	8 Å²	8	36.8 Å²	36.8	8%	0.082	21%	0.209	C	C	.	.	H	α-helix	trans	-68	-53.4	178.9	0	0	0	0	0	113	T265 L269 A270 V271	T265-G267 PolarHBondContact O-N 3.39Å; T265-G267 PolarHBondContact OG1-N 2.8Å; G267-L269 VanDerWaalsContact C-N 3.27Å; G267-L269 PolarHBondContact O-N 2.68Å; G267-A270 PolarHBondContact O-N 3.15Å; G267-A270 VanDerWaalsContact O-N 3.14Å; G267-V271 WeakPolarHBondContact O-CG2 3.41Å; G267-V271 PolarHBondContact O-N 2.98Å
268	I	96.3	Very high	84.4	Confident	1 Å²	1	33.5 Å²	33.5	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-65.5	-34.2	178.9	-164.5	65	0	0	0	111.7	T245 L249 L250 P264 T265 V271 Y272 E319 L323	T245-I268 HydrophobicContact CG2-CG1 4.41Å; T245-I268 HydrophobicContact CG2-CG2 4.06Å; L249-I268 HydrophobicContact CD2-CD1 3.84Å; L249-I268 HydrophobicContact CD2-CG1 3.77Å; L250-I268 HydrophobicContact CD1-CG2 4.31Å; L250-I268 HydrophobicContact CD2-CG1 4.31Å; P264-I268 HydrophobicContact CB-CG2 3.53Å; T265-I268 WeakPolarHBondContact O-CG2 3.41Å; T265-I268 PolarHBondContact O-N 3.39Å; T265-I268 PolarHBondContact OG1-N 3.41Å; I268-V271 PolarHBondContact O-N 3.16Å; I268-Y272 PolarHBondContact O-N 3.17Å; I268-E319 HydrophobicContact CB-CG 4.33Å; I268-E319 HydrophobicContact CG1-CG 4.44Å; I268-E319 HydrophobicContact CG2-CG 4.12Å; I268-L323 HydrophobicContact CD1-CD1 4.46Å; I268-L323 HydrophobicContact CD1-CD2 3.52Å; I268-L323 HydrophobicContact CD1-CG 3.72Å
269	L	97.3	Very high	86.1	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-59.4	-47.5	171	171.9	64.3	0	0	0	111.5	V195 L237 F241 L242 T265 G267 V271 Y272 V273	V195-L269 HydrophobicContact CB-CD2 4.43Å; V195-L269 HydrophobicContact CG1-CD2 3.54Å; V195-L269 HydrophobicContact CG2-CD2 3.97Å; L237-L269 HydrophobicContact CD2-CD1 4.05Å; L237-L269 HydrophobicContact CD2-CD2 3.7Å; L237-L269 HydrophobicContact CD2-CG 4.07Å; F241-L269 HydrophobicContact CB-CD1 4.03Å; L242-L269 HydrophobicContact CB-CD1 4.19Å; L242-L269 HydrophobicContact CD1-CB 4.22Å; L242-L269 HydrophobicContact CD1-CD1 4.03Å; L242-L269 HydrophobicContact CD1-CD2 3.88Å; L242-L269 HydrophobicContact CD1-CG 4.26Å; T265-L269 WeakPolarHBondContact O-CB 3.18Å; T265-L269 PolarHBondContact O-N 3.03Å; T265-L269 VanDerWaalsContact O-N 3.09Å; G267-L269 VanDerWaalsContact C-N 3.27Å; G267-L269 PolarHBondContact O-N 2.68Å; L269-V271 VanDerWaalsContact C-N 3.29Å; L269-V271 PolarHBondContact O-N 3.29Å; L269-Y272 PolarHBondContact O-N 3.14Å; L269-Y272 VanDerWaalsContact O-N 3.16Å; L269-V273 HydrophobicContact CD1-CG2 4.13Å; L269-V273 HydrophobicContact CG-CG2 4.47Å; L269-V273 WeakPolarHBondContact O-CG2 3.29Å; L269-V273 PolarHBondContact O-N 3.36Å
270	A	98.2	Very high	88	Confident	0 Å²	0	18 Å²	18	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-63.5	-36.2	179.7	0	0	0	0	0	112.1	V127 I150 L152 F172 T266 G267 V273 A274	V127-A270 HydrophobicContact CG1-CB 3.81Å; I150-A270 HydrophobicContact CG2-CB 4.06Å; L152-A270 HydrophobicContact CD2-CB 3.46Å; L152-A270 VanDerWaalsContact CD2-CB 3.46Å; F172-A270 HydrophobicContact CD2-CB 4.25Å; F172-A270 HydrophobicContact CE2-CB 4.41Å; T266-A270 WeakPolarHBondContact O-CB 3.42Å; T266-A270 PolarHBondContact O-N 3.07Å; G267-A270 PolarHBondContact O-N 3.15Å; G267-A270 VanDerWaalsContact O-N 3.14Å; A270-V273 PolarHBondContact O-N 3.01Å; A270-A274 WeakPolarHBondContact O-CB 3.19Å; A270-A274 PolarHBondContact O-N 2.87Å
271	V	97.1	Very high	89.8	Confident	0 Å²	0	14 Å²	14	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63.1	-46.3	171.7	175.9	0	0	0	0	110.9	V127 G267 I268 L269 V273 A274 L275 I283 F286 L323 L326 I332	V127-V271 HydrophobicContact CB-CG2 4.42Å; V127-V271 HydrophobicContact CG1-CG2 4.24Å; G267-V271 WeakPolarHBondContact O-CG2 3.41Å; G267-V271 PolarHBondContact O-N 2.98Å; I268-V271 PolarHBondContact O-N 3.16Å; L269-V271 VanDerWaalsContact C-N 3.29Å; L269-V271 PolarHBondContact O-N 3.29Å; V271-V273 VanDerWaalsContact C-N 3.34Å; V271-V273 PolarHBondContact O-N 3.45Å; V271-A274 PolarHBondContact O-N 2.96Å; V271-L275 HydrophobicContact CG1-CD1 4.2Å; V271-L275 WeakPolarHBondContact O-CG 3.31Å; V271-L275 PolarHBondContact O-N 2.86Å; V271-I283 HydrophobicContact CG2-CG2 3.99Å; V271-F286 HydrophobicContact CG2-CE1 3.8Å; V271-F286 HydrophobicContact CG2-CE2 4.24Å; V271-F286 HydrophobicContact CG2-CZ 3.52Å; V271-L323 HydrophobicContact CB-CD2 4.43Å; V271-L323 HydrophobicContact CG1-CD2 4.11Å; V271-L323 HydrophobicContact CG2-CD2 4.11Å; V271-L326 HydrophobicContact CG1-CD1 4.07Å; V271-I332 HydrophobicContact CG1-CG2 4.16Å
272	Y	94.7	Very high	91.6	Very high	8 Å²	8	11.1 Å²	11.1	3%	0.031	6%	0.061	C	C	.	.	H	α-helix	trans	-62.5	-41.1	177.6	-169.6	-95.1	0	0	0	112.3	F64 F241 Q244 T245 L249 I268 L269 L275 N276	F64-Y272 HydrophobicContact CD1-CE2 4.19Å; F64-Y272 HydrophobicContact CE1-CE2 4.14Å; F64-Y272 HydrophobicContact CG-CE2 4.48Å; F64-Y272 HydrophobicContact CZ-CE2 4.36Å; F241-Y272 HydrophobicContact CD1-CD1 4.36Å; F241-Y272 HydrophobicContact CD1-CE1 4.43Å; Q244-Y272 HydrophobicContact CB-CD1 4.44Å; Q244-Y272 HydrophobicContact CB-CE1 3.46Å; Q244-Y272 VanDerWaalsContact CB-CE1 3.46Å; Q244-Y272 WeakPolarHBondContact CB-OH 3.42Å; Q244-Y272 HydrophobicContact CG-CE1 4.44Å; T245-Y272 VanDerWaalsContact OG1-CB 3.32Å; T245-Y272 WeakPolarHBondContact OG1-CB 3.49Å; T245-Y272 WeakPolarHBondContact OG1-CD1 3.21Å; L249-Y272 HydrophobicContact CB-CD2 3.98Å; L249-Y272 HydrophobicContact CB-CE2 4.28Å; L249-Y272 HydrophobicContact CD2-CD2 4.04Å; I268-Y272 PolarHBondContact O-N 3.17Å; L269-Y272 PolarHBondContact O-N 3.14Å; L269-Y272 VanDerWaalsContact O-N 3.16Å; Y272-L275 PolarHBondContact O-N 2.94Å; Y272-N276 VanDerWaalsContact CE1-ND2 3.28Å; Y272-N276 WeakPolarHBondContact CE1-ND2 3.41Å; Y272-N276 PolarHBondContact O-N 2.66Å; Y272-N276 PolarHBondContact O-ND2 3.49Å
273	V	95	Very high	93.1	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-63.5	-44.5	174.3	171.3	0	0	0	0	110.9	L72 F172 L237 F241 L269 A270 V271 L275 N276 Y277	L72-V273 HydrophobicContact CD1-CG1 4.05Å; L72-V273 HydrophobicContact CD2-CG1 3.98Å; F172-V273 HydrophobicContact CE2-CB 4.31Å; F172-V273 HydrophobicContact CE2-CG1 4.39Å; F172-V273 HydrophobicContact CE2-CG2 4.14Å; F172-V273 HydrophobicContact CZ-CB 4.3Å; F172-V273 HydrophobicContact CZ-CG1 3.93Å; F172-V273 HydrophobicContact CZ-CG2 4.49Å; L237-V273 HydrophobicContact CD1-CG2 4.08Å; L237-V273 HydrophobicContact CD2-CG2 4.2Å; F241-V273 HydrophobicContact CB-CG2 3.91Å; F241-V273 HydrophobicContact CD1-CG2 3.86Å; F241-V273 HydrophobicContact CG-CG2 3.93Å; L269-V273 HydrophobicContact CD1-CG2 4.13Å; L269-V273 HydrophobicContact CG-CG2 4.47Å; L269-V273 WeakPolarHBondContact O-CG2 3.29Å; L269-V273 PolarHBondContact O-N 3.36Å; A270-V273 PolarHBondContact O-N 3.01Å; V271-V273 VanDerWaalsContact C-N 3.34Å; V271-V273 PolarHBondContact O-N 3.45Å; V273-L275 VanDerWaalsContact C-N 3.32Å; V273-L275 PolarHBondContact O-N 3.09Å; V273-N276 CarbonylContact O-C 3.38Å; V273-N276 PolarHBondContact O-N 2.84Å; V273-N276 VanDerWaalsContact O-N 3.07Å; V273-Y277 VanDerWaalsContact O-CB 3.25Å; V273-Y277 WeakPolarHBondContact O-CB 3.07Å; V273-Y277 PolarHBondContact O-N 2.84Å
274	A	94.8	Very high	94	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-59.8	-41.9	176.8	0	0	0	0	0	111.7	V127 I150 A270 V271 N276 Y277 C278 V281	V127-A274 HydrophobicContact CG2-CB 3.61Å; I150-A274 HydrophobicContact CD1-CB 4.1Å; A270-A274 WeakPolarHBondContact O-CB 3.19Å; A270-A274 PolarHBondContact O-N 2.87Å; V271-A274 PolarHBondContact O-N 2.96Å; A274-N276 PolarHBondContact O-N 3Å; A274-Y277 PolarHBondContact O-N 2.73Å; A274-Y277 VanDerWaalsContact O-N 3.14Å; A274-C278 WeakPolarHBondContact O-CA 3.45Å; A274-C278 WeakPolarHBondContact O-CB 3.34Å; A274-C278 PolarHBondContact O-N 3.5Å; A274-C278 PolarHBondContact O-SG 2.84Å; A274-C278 VanDerWaalsContact O-SG 3.32Å; A274-V281 HydrophobicContact CB-CG1 3.82Å; A274-V281 HydrophobicContact CB-CG2 3.95Å; A274-V281 WeakPolarHBondContact O-CG2 3.17Å
275	L	91.8	Very high	94.2	Very high	15 Å²	15	6.6 Å²	6.6	8%	0.079	4%	0.038	C	C	.	.	H	α-helix	trans	-62.5	-28.4	175.8	-73.9	168.9	0	0	0	113.4	I66 V271 Y272 V273 V281 L326 A331 I332	I66-L275 WeakPolarHBondContact CG2-O 3.35Å; V271-L275 HydrophobicContact CG1-CD1 4.2Å; V271-L275 WeakPolarHBondContact O-CG 3.31Å; V271-L275 PolarHBondContact O-N 2.86Å; Y272-L275 PolarHBondContact O-N 2.94Å; V273-L275 VanDerWaalsContact C-N 3.32Å; V273-L275 PolarHBondContact O-N 3.09Å; L275-V281 HydrophobicContact CD2-CB 4.28Å; L275-V281 HydrophobicContact CD2-CG2 4.11Å; L275-V281 HydrophobicContact CG-CG2 4.45Å; L275-L326 HydrophobicContact CD1-CD1 3.91Å; L275-L326 HydrophobicContact CD1-CD2 3.9Å; L275-A331 HydrophobicContact CD2-CB 4.26Å; L275-A331 WeakPolarHBondContact CD2-O 3.2Å; L275-I332 HydrophobicContact CD1-CG2 4.43Å; L275-I332 HydrophobicContact CD2-CG2 3.88Å; L275-I332 HydrophobicContact CG-CG2 4.33Å
276	N	88.3	Confident	94.2	Very high	8 Å²	8	6.8 Å²	6.8	4%	0.043	4%	0.037	C	C	.	.	H	α-helix	trans	-90.9	-11.8	177.3	-75.8	-93	0	0	0	113.5	F241 Y272 V273 A274	F241-N276 HydrophobicContact CE1-CB 3.95Å; Y272-N276 VanDerWaalsContact CE1-ND2 3.28Å; Y272-N276 WeakPolarHBondContact CE1-ND2 3.41Å; Y272-N276 PolarHBondContact O-N 2.66Å; Y272-N276 PolarHBondContact O-ND2 3.49Å; V273-N276 CarbonylContact O-C 3.38Å; V273-N276 PolarHBondContact O-N 2.84Å; V273-N276 VanDerWaalsContact O-N 3.07Å; A274-N276 PolarHBondContact O-N 3Å
277	Y	88.9	Confident	93.8	Very high	13 Å²	13	8.1 Å²	8.1	5%	0.051	5%	0.053	C	C	.	.	H	α-helix	trans	-113.3	-27.3	-173.6	-170.7	-115.4	0	0	0	113.3	L72 V113 I117 E118 R123 M170 V273 A274	L72-Y277 HydrophobicContact CD1-CD1 4.25Å; L72-Y277 HydrophobicContact CD1-CD2 3.59Å; L72-Y277 HydrophobicContact CD1-CE2 3.96Å; L72-Y277 HydrophobicContact CD1-CG 3.77Å; L72-Y277 HydrophobicContact CD2-CD2 4.06Å; L72-Y277 HydrophobicContact CD2-CG 4.42Å; L72-Y277 HydrophobicContact CG-CD2 3.86Å; L72-Y277 HydrophobicContact CG-CE2 4.31Å; L72-Y277 HydrophobicContact CG-CG 4.42Å; V113-Y277 WeakPolarHBondContact CB-OH 3.26Å; V113-Y277 WeakPolarHBondContact CG1-OH 3.36Å; V113-Y277 HydrophobicContact CG2-CE2 4.18Å; I117-Y277 HydrophobicContact CG2-CE1 4.11Å; I117-Y277 WeakPolarHBondContact CG2-OH 3.3Å; E118-Y277 VanDerWaalsContact OE1-CE2 3.27Å; E118-Y277 WeakPolarHBondContact OE1-CE2 3.4Å; E118-Y277 PolarHBondContact OE1-OH 2.93Å; R123-Y277 WeakPolarHBondContact CD-O 3.45Å; R123-Y277 VanDerWaalsContact CZ-CZ 3.42Å; R123-Y277 PolarHBondContact NH1-O 3.25Å; M170-Y277 HydrophobicContact CE-CD1 4.45Å; M170-Y277 HydrophobicContact CE-CE1 3.84Å; V273-Y277 VanDerWaalsContact O-CB 3.25Å; V273-Y277 WeakPolarHBondContact O-CB 3.07Å; V273-Y277 PolarHBondContact O-N 2.84Å; A274-Y277 PolarHBondContact O-N 2.73Å; A274-Y277 VanDerWaalsContact O-N 3.14Å
278	C	89.7	Confident	93.3	Very high	15 Å²	15	12.4 Å²	12.4	10%	0.101	7%	0.067	C	C	.	.			trans	-117.4	155.1	-167.8	-48.4	0	0	0	0	111.2	C125 A274 V281	C125-C278 HydrophobicContact CB-CB 3.54Å; C125-C278 WeakPolarHBondContact CB-SG 3.46Å; C125-C278 WeakPolarHBondContact SG-CB 3.43Å; C125-C278 CovalentContact SG-SG 1.99Å; C125-C278 PolarHBondContact SG-SG 2.66Å; A274-C278 WeakPolarHBondContact O-CA 3.45Å; A274-C278 WeakPolarHBondContact O-CB 3.34Å; A274-C278 PolarHBondContact O-N 3.5Å; A274-C278 PolarHBondContact O-SG 2.84Å; A274-C278 VanDerWaalsContact O-SG 3.32Å; C278-V281 HydrophobicContact CB-CG2 3.89Å
279	D	86.4	Confident	92.6	Very high	26 Å²	26	13.2 Å²	13.2	14%	0.139	7%	0.072	C	C	.	.	S	Bend	trans	-76.2	-51.7	172.1	-67.2	-83.3	0	0	0	110.1	W53 R68 C122 R123	W53-D279 PolarHBondContact NE1-O 3.13Å; R68-D279 IonicContact CZ-OD1 2.76Å; R68-D279 IonicContact NE-OD1 3.71Å; R68-D279 IonicContact NH1-OD1 3.54Å; R68-D279 PolarHBondContact NH1-OD1 3.36Å; R68-D279 IonicContact NH1-OD2 3.25Å; R68-D279 IonicContact NH2-OD1 3.61Å; R68-D279 PolarHBondContact NH2-OD1 3.22Å; C122-D279 VanDerWaalsContact CA-OD2 3.31Å; C122-D279 WeakPolarHBondContact CA-OD2 2.95Å; R123-D279 PolarHBondContact N-OD2 2.61Å; R123-D279 PolarHBondContact O-N 2.65Å
280	V	89.9	Confident	91.7	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.006	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	126.6	-178	-179.1	0	0	0	0	108.6	W53 R123 T124 C125 H282	W53-V280 HydrophobicContact CB-CG2 3.94Å; W53-V280 HydrophobicContact CD2-CG2 4.06Å; W53-V280 HydrophobicContact CG-CG2 3.69Å; R123-V280 PolarHBondContact O-N 2.87Å; T124-V280 HydrophobicContact CG2-CB 4.18Å; T124-V280 HydrophobicContact CG2-CG2 4.35Å; C125-V280 PolarHBondContact N-O 3.25Å; V280-H282 VanDerWaalsContact CG1-NE2 3.35Å; V280-H282 WeakPolarHBondContact CG1-NE2 3.21Å
281	V	93.6	Very high	90.8	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.012	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	111.5	179.9	-179.1	0	0	0	0	109.9	V127 A274 L275 C278 I283 I332 L333	V127-V281 HydrophobicContact CG2-CG1 4.42Å; A274-V281 HydrophobicContact CB-CG1 3.82Å; A274-V281 HydrophobicContact CB-CG2 3.95Å; A274-V281 WeakPolarHBondContact O-CG2 3.17Å; L275-V281 HydrophobicContact CD2-CB 4.28Å; L275-V281 HydrophobicContact CD2-CG2 4.11Å; L275-V281 HydrophobicContact CG-CG2 4.45Å; C278-V281 HydrophobicContact CB-CG2 3.89Å; V281-I283 HydrophobicContact CG1-CG2 4.31Å; V281-I332 HydrophobicContact CB-CG2 4.16Å; V281-I332 HydrophobicContact CG1-CG2 3.85Å; V281-I332 VanDerWaalsContact O-CA 3.24Å; V281-I332 WeakPolarHBondContact O-CA 3.45Å; V281-L333 PolarHBondContact O-N 3.04Å
282	H	96.8	Very high	90.1	Very high	13 Å²	13	28.5 Å²	28.5	6%	0.06	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	153.6	169.2	-62.2	175.2	0	0	0	110.6	C125 A126 V127 Y146 V280 L333 L335	C125-H282 PolarHBondContact O-N 2.76Å; A126-H282 CarbonylContact C-O 3.56Å; A126-H282 VanDerWaalsContact CA-O 3.3Å; A126-H282 WeakPolarHBondContact CA-O 3.41Å; V127-H282 PolarHBondContact N-O 3.3Å; Y146-H282 HydrophobicContact CE1-CB 3.97Å; Y146-H282 AromaticContact CE1-CG 3.92Å; Y146-H282 AromaticContact CE1-ND1 3.58Å; Y146-H282 AromaticContact CZ-ND1 3.5Å; Y146-H282 PolarHBondContact OH-ND1 3.41Å; V280-H282 VanDerWaalsContact CG1-NE2 3.35Å; V280-H282 WeakPolarHBondContact CG1-NE2 3.21Å; H282-L333 CarbonylContact C-O 3.51Å; H282-L333 WeakPolarHBondContact CA-O 3.4Å; H282-L333 WeakPolarHBondContact CB-O 3.32Å; H282-L335 HydrophobicContact CB-CD1 4.43Å; H282-L335 HydrophobicContact CB-CD2 3.68Å; H282-L335 HydrophobicContact CB-CG 4Å
283	I	98.1	Very high	89.6	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	151.4	-177.6	69.3	164.3	0	0	0	111.6	V127 V271 V281 F286 L323 I332 L333 Y334 L335	V127-I283 HydrophobicContact CB-CG2 4.04Å; V127-I283 HydrophobicContact CG2-CG2 4.41Å; V127-I283 WeakPolarHBondContact O-CA 3.42Å; V271-I283 HydrophobicContact CG2-CG2 3.99Å; V281-I283 HydrophobicContact CG1-CG2 4.31Å; I283-F286 HydrophobicContact CB-CD2 3.82Å; I283-F286 HydrophobicContact CB-CE2 3.89Å; I283-F286 HydrophobicContact CD1-CB 4.15Å; I283-F286 HydrophobicContact CD1-CD2 3.88Å; I283-F286 HydrophobicContact CD1-CE2 4.45Å; I283-F286 HydrophobicContact CD1-CG 3.98Å; I283-F286 HydrophobicContact CG1-CD2 4.26Å; I283-F286 HydrophobicContact CG2-CE2 4.32Å; I283-L323 HydrophobicContact CD1-CD2 4.11Å; I283-I332 HydrophobicContact CD1-CD1 3.63Å; I283-I332 HydrophobicContact CG1-CD1 4.2Å; I283-L333 PolarHBondContact N-O 2.78Å; I283-Y334 HydrophobicContact CD1-CD1 4.18Å; I283-Y334 HydrophobicContact CD1-CD2 3.96Å; I283-Y334 HydrophobicContact CD1-CE1 3.7Å; I283-Y334 HydrophobicContact CD1-CE2 3.42Å; I283-Y334 VanDerWaalsContact CD1-CE2 3.42Å; I283-Y334 HydrophobicContact CD1-CG 4.31Å; I283-Y334 HydrophobicContact CG1-CD1 4Å; I283-Y334 HydrophobicContact CG1-CD2 3.92Å; I283-Y334 HydrophobicContact CG1-CE1 4.03Å; I283-Y334 HydrophobicContact CG1-CE2 3.93Å; I283-Y334 HydrophobicContact CG1-CG 3.96Å; I283-Y334 CarbonylContact O-C 3.51Å; I283-Y334 WeakPolarHBondContact O-CA 3.47Å; I283-L335 PolarHBondContact O-N 2.94Å
284	A	97.9	Very high	89	Confident	0 Å²	0	36 Å²	36	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	154.8	174.4	0	0	0	0	0	110	V127 I128 G129 I134 L139 F286 L335	V127-A284 PolarHBondContact O-N 2.94Å; I128-A284 HydrophobicContact CD1-CB 4.1Å; G129-A284 PolarHBondContact N-O 3.45Å; I134-A284 HydrophobicContact CD1-CB 3.62Å; I134-A284 HydrophobicContact CG1-CB 4.41Å; L139-A284 HydrophobicContact CD1-CB 4.23Å; A284-F286 VanDerWaalsContact C-N 3.29Å; A284-F286 WeakPolarHBondContact O-CD2 3.31Å; A284-F286 PolarHBondContact O-N 3.02Å; A284-L335 HydrophobicContact CB-CB 4.15Å; A284-L335 HydrophobicContact CB-CD1 4.26Å; A284-L335 HydrophobicContact CB-CG 4.49Å
285	G	96.1	Very high	88.7	Confident	2 Å²	2	46.6 Å²	46.6	2%	0.021	25%	0.253	C	S	.	.	S	Bend	trans	71.4	23.7	179.4	0	0	0	0	0	113.6	G129 N130 G131 H336	G129-G285 CarbonylContact C-O 3.58Å; G129-G285 VanDerWaalsContact CA-O 3.31Å; G129-G285 WeakPolarHBondContact CA-O 2.97Å; N130-G285 PolarHBondContact N-O 3.08Å; G131-G285 VanDerWaalsContact CA-O 3.29Å; G131-G285 WeakPolarHBondContact CA-O 3.15Å; G131-G285 PolarHBondContact N-O 3.1Å; G285-H336 PolarHBondContact N-NE2 3.15Å
286	F	94.9	Very high	88.7	Confident	22 Å²	22	47.7 Å²	47.7	10%	0.096	26%	0.258	C	S	.	.			trans	-102.4	129.9	172.2	-76	-98.4	0	0	0	109.9	V127 V271 I283 A284 L323 Y334	V127-F286 HydrophobicContact CB-CE2 4.22Å; V127-F286 HydrophobicContact CB-CZ 4.42Å; V127-F286 HydrophobicContact CG1-CE2 3.95Å; V127-F286 HydrophobicContact CG1-CZ 3.76Å; V127-F286 WeakPolarHBondContact O-CE2 3.49Å; V271-F286 HydrophobicContact CG2-CE1 3.8Å; V271-F286 HydrophobicContact CG2-CE2 4.24Å; V271-F286 HydrophobicContact CG2-CZ 3.52Å; I283-F286 HydrophobicContact CB-CD2 3.82Å; I283-F286 HydrophobicContact CB-CE2 3.89Å; I283-F286 HydrophobicContact CD1-CB 4.15Å; I283-F286 HydrophobicContact CD1-CD2 3.88Å; I283-F286 HydrophobicContact CD1-CE2 4.45Å; I283-F286 HydrophobicContact CD1-CG 3.98Å; I283-F286 HydrophobicContact CG1-CD2 4.26Å; I283-F286 HydrophobicContact CG2-CE2 4.32Å; A284-F286 VanDerWaalsContact C-N 3.29Å; A284-F286 WeakPolarHBondContact O-CD2 3.31Å; A284-F286 PolarHBondContact O-N 3.02Å; F286-L323 HydrophobicContact CB-CD1 4.16Å; F286-L323 HydrophobicContact CD1-CD1 3.63Å; F286-L323 HydrophobicContact CE1-CD1 4.42Å; F286-L323 HydrophobicContact CG-CD1 4.2Å; F286-Y334 HydrophobicContact CB-CE1 3.87Å
287	G	87.7	Confident	89	Confident	37 Å²	37	48.6 Å²	48.6	38%	0.381	26%	0.264	S	S	.	.			trans	136.4	159.9	-178.2	0	0	0	0	0	111.5
288	Y	84.9	Confident	89.1	Confident	98 Å²	98	48.1 Å²	48.1	38%	0.384	26%	0.263	S	S	.	.			trans	-121.2	152.1	177.7	-68.8	-81.5	0	0	0	109.9	I298 M306 L316	Y288-I298 HydrophobicContact CD1-CG2 4.49Å; Y288-M306 HydrophobicContact CD1-CE 4.49Å; Y288-M306 HydrophobicContact CD1-SD 3.77Å; Y288-M306 HydrophobicContact CG-SD 4.25Å; Y288-L316 HydrophobicContact CD1-CD1 4.21Å; Y288-L316 HydrophobicContact CD2-CB 4.2Å; Y288-L316 HydrophobicContact CD2-CD1 4.14Å; Y288-L316 HydrophobicContact CE1-CD1 3.83Å; Y288-L316 HydrophobicContact CE2-CB 3.86Å; Y288-L316 HydrophobicContact CE2-CD1 3.75Å; Y288-L316 HydrophobicContact CE2-CD2 3.73Å; Y288-L316 HydrophobicContact CE2-CG 3.97Å; Y288-L316 HydrophobicContact CG-CD1 4.36Å; Y288-L316 VanDerWaalsContact OH-CD2 3.26Å; Y288-L316 WeakPolarHBondContact OH-CD2 3.28Å
289	P	82.8	Confident	89.4	Confident	17 Å²	17	49.5 Å²	49.5	11%	0.11	27%	0.268	C	S	.	.			trans	-50	140.8	170.9	-30.4	38	0	0	0	112.7	Q296 P297 I298	P289-Q296 HydrophobicContact CB-CB 3.93Å; P289-Q296 HydrophobicContact CB-CG 4.23Å; P289-Q296 VanDerWaalsContact CB-OE1 3.31Å; P289-Q296 HydrophobicContact CG-CB 4Å; P289-Q296 HydrophobicContact CG-CG 3.97Å; P289-P297 WeakPolarHBondContact CG-O 3.44Å; P289-I298 HydrophobicContact CG-CG2 4.34Å
290	S	79.1	Confident	89.9	Confident	70 Å²	70	48.5 Å²	48.5	49%	0.49	26%	0.262	S	S	.	.			trans	-58	148.3	170.2	174.8	0	0	0	0	110.8	N292 N293	S290-N292 PolarHBondContact O-N 2.95Å; S290-N292 PolarHBondContact OG-N 3.06Å; S290-N293 PolarHBondContact O-N 3.36Å
291	S	78.5	Confident	90.2	Very high	106 Å²	106	50.1 Å²	50.1	74%	0.741	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-24.3	174.1	54.4	0	0	0	0	113	N293	S291-N293 PolarHBondContact O-N 2.99Å
292	N	82	Confident	90.2	Very high	146 Å²	146	51.8 Å²	51.8	78%	0.781	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-8.6	179.8	-61.2	-11.5	0	0	0	113	S290 P294	S290-N292 PolarHBondContact O-N 2.95Å; S290-N292 PolarHBondContact OG-N 3.06Å; N292-P294 VanDerWaalsContact C-CD 3.49Å
293	N	84.4	Confident	90.1	Very high	78 Å²	78	59.3 Å²	59.3	42%	0.417	32%	0.321	S	S	.	.			trans	-127.9	65.3	177.2	-161.7	-5.7	0	0	0	112.2	S290 S291 R295 Q296	S290-N293 PolarHBondContact O-N 3.36Å; S291-N293 PolarHBondContact O-N 2.99Å; N293-R295 PolarHBondContact O-N 3.3Å; N293-R295 VanDerWaalsContact O-N 3.08Å; N293-Q296 HydrophobicContact CB-CB 4.3Å; N293-Q296 WeakPolarHBondContact O-CB 3.39Å; N293-Q296 PolarHBondContact O-N 3.33Å; N293-Q296 VanDerWaalsContact O-N 3.08Å
294	P	82.6	Confident	89.8	Confident	88 Å²	88	63.3 Å²	63.3	57%	0.571	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-12.5	-172.2	29.2	-37.1	0	0	0	114.3	N292	N292-P294 VanDerWaalsContact C-CD 3.49Å
295	R	88.8	Confident	89.5	Confident	221 Å²	221	64.7 Å²	64.7	83%	0.834	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-11.3	177.1	-64.9	-173.3	-173.5	178.8	2.8	113	N293	N293-R295 PolarHBondContact O-N 3.3Å; N293-R295 VanDerWaalsContact O-N 3.08Å
296	Q	90.8	Very high	89	Confident	38 Å²	38	67.9 Å²	67.9	18%	0.178	37%	0.366	C	S	.	.	S	Bend	trans	-64.3	133.4	176.2	-172.7	172.8	33.6	0	0	109.4	F132 P289 N293	F132-Q296 HydrophobicContact CD1-CG 3.81Å; F132-Q296 HydrophobicContact CE1-CG 4.02Å; F132-Q296 HydrophobicContact CG-CG 4.12Å; F132-Q296 HydrophobicContact CZ-CG 4.46Å; P289-Q296 HydrophobicContact CB-CB 3.93Å; P289-Q296 HydrophobicContact CB-CG 4.23Å; P289-Q296 VanDerWaalsContact CB-OE1 3.31Å; P289-Q296 HydrophobicContact CG-CB 4Å; P289-Q296 HydrophobicContact CG-CG 3.97Å; N293-Q296 HydrophobicContact CB-CB 4.3Å; N293-Q296 WeakPolarHBondContact O-CB 3.39Å; N293-Q296 PolarHBondContact O-N 3.33Å; N293-Q296 VanDerWaalsContact O-N 3.08Å
297	P	94.3	Very high	88.6	Confident	27 Å²	27	75.5 Å²	75.5	18%	0.175	40%	0.399	C	S	.	.			trans	-59.2	145.8	173.3	-22.9	33.4	0	0	0	111	F132 P289 H299 D304	F132-P297 WeakPolarHBondContact CB-O 3.5Å; F132-P297 HydrophobicContact CD2-CB 3.87Å; F132-P297 HydrophobicContact CD2-CG 4.05Å; F132-P297 HydrophobicContact CE2-CB 4.37Å; F132-P297 HydrophobicContact CE2-CG 4.04Å; P289-P297 WeakPolarHBondContact CG-O 3.44Å; P297-H299 VanDerWaalsContact C-N 3.34Å; P297-D304 CarbonylContact C-O 3.44Å; P297-D304 WeakPolarHBondContact CA-O 3.49Å
298	I	92.8	Very high	88.4	Confident	3 Å²	3	77.1 Å²	77.1	2%	0.015	40%	0.404	C	S	.	.	S	Bend	trans	-76	-28.2	174.2	55.8	171.2	0	0	0	111.5	G131 F132 Y288 P289 D304 T305 M306 M309	G131-I298 CarbonylContact C-O 3.59Å; G131-I298 VanDerWaalsContact CA-O 3.31Å; G131-I298 WeakPolarHBondContact CA-O 3.33Å; F132-I298 PolarHBondContact N-O 3.48Å; Y288-I298 HydrophobicContact CD1-CG2 4.49Å; P289-I298 HydrophobicContact CG-CG2 4.34Å; I298-D304 HydrophobicContact CD1-CB 4.07Å; I298-D304 HydrophobicContact CG1-CB 3.95Å; I298-D304 WeakPolarHBondContact CG1-O 3.32Å; I298-D304 PolarHBondContact N-O 2.82Å; I298-T305 VanDerWaalsContact CG2-C 3.46Å; I298-M306 HydrophobicContact CG2-CG 3.93Å; I298-M306 HydrophobicContact CG2-SD 3.5Å; I298-M306 WeakPolarHBondContact CG2-SD 3.42Å; I298-M309 HydrophobicContact CD1-CG 3.76Å; I298-M309 HydrophobicContact CD1-SD 4.08Å
299	H	96.1	Very high	88.1	Confident	45 Å²	45	74.6 Å²	74.6	21%	0.208	40%	0.397	C	S	.	.	B	Isolated β-bridge	trans	-109.7	155.2	-179	-58.2	137.6	0	0	0	111.8	N130 F132 P297 Y301	N130-H299 CarbonylContact O-C 3.52Å; N130-H299 WeakPolarHBondContact O-CA 2.95Å; N130-H299 WeakPolarHBondContact O-CB 3.21Å; F132-H299 WeakPolarHBondContact CD2-O 3.25Å; P297-H299 VanDerWaalsContact C-N 3.34Å; H299-Y301 HydrophobicContact CB-CD1 3.82Å; H299-Y301 HydrophobicContact CB-CE1 3.79Å; H299-Y301 HydrophobicContact CB-CG 4.28Å; H299-Y301 WeakPolarHBondContact CB-O 3.47Å; H299-Y301 PolarHBondContact O-N 3.15Å
300	Y	96.4	Very high	87.5	Confident	4 Å²	4	82.2 Å²	82.2	2%	0.016	43%	0.428	C	S	.	.	S	Bend	trans	-65.2	-15.6	173.4	64.1	-104.6	0	0	0	113	N130 I134 A155 P156 Y160 V164	N130-Y300 VanDerWaalsContact O-CD1 3.23Å; N130-Y300 WeakPolarHBondContact O-CD1 3.47Å; N130-Y300 PolarHBondContact O-N 3.24Å; I134-Y300 HydrophobicContact CG2-CD1 3.56Å; I134-Y300 HydrophobicContact CG2-CE1 4.39Å; I134-Y300 HydrophobicContact CG2-CG 3.88Å; A155-Y300 HydrophobicContact CB-CE1 4.44Å; A155-Y300 VanDerWaalsContact CB-OH 3.3Å; A155-Y300 WeakPolarHBondContact CB-OH 3.42Å; P156-Y300 HydrophobicContact CG-CE2 4.34Å; P156-Y300 WeakPolarHBondContact O-CE2 3.41Å; P156-Y300 PolarHBondContact O-OH 2.79Å; Y160-Y300 AromaticContact CD1-CD2 3.66Å; Y160-Y300 HydrophobicContact CD1-CD2 3.66Å; Y160-Y300 HydrophobicContact CD1-CE2 4.11Å; Y160-Y300 HydrophobicContact CD2-CE2 4.28Å; Y160-Y300 HydrophobicContact CE1-CD2 4.03Å; Y160-Y300 VanDerWaalsContact CE1-O 3.29Å; Y160-Y300 WeakPolarHBondContact CE1-O 3.33Å; Y160-Y300 AromaticContact CG-CD2 3.96Å; Y160-Y300 HydrophobicContact CG-CD2 3.96Å; Y160-Y300 AromaticContact CG-CE2 3.92Å; Y160-Y300 HydrophobicContact CG-CE2 3.92Å; V164-Y300 HydrophobicContact CG1-CD1 4.28Å; V164-Y300 HydrophobicContact CG1-CD2 4.26Å; V164-Y300 HydrophobicContact CG1-CE1 4.05Å; V164-Y300 HydrophobicContact CG1-CE2 4.04Å; V164-Y300 HydrophobicContact CG1-CG 4.38Å
301	Y	95.9	Very high	87	Confident	35 Å²	35	85.7 Å²	85.7	14%	0.137	44%	0.441	C	S	.	.	S	Bend	trans	-119.1	159.4	177.4	63.5	-83.1	0	0	0	111.4	N130 D154 A155 P156 H299	N130-Y301 HydrophobicContact CB-CE1 4.06Å; N130-Y301 PolarHBondContact ND2-OH 3.02Å; D154-Y301 PolarHBondContact OD1-OH 3.33Å; A155-Y301 HydrophobicContact CB-CE1 3.69Å; P156-Y301 HydrophobicContact CG-CD1 4.16Å; P156-Y301 HydrophobicContact CG-CD2 4.05Å; P156-Y301 HydrophobicContact CG-CG 3.71Å; H299-Y301 HydrophobicContact CB-CD1 3.82Å; H299-Y301 HydrophobicContact CB-CE1 3.79Å; H299-Y301 HydrophobicContact CB-CG 4.28Å; H299-Y301 WeakPolarHBondContact CB-O 3.47Å; H299-Y301 PolarHBondContact O-N 3.15Å
302	G	94.1	Very high	86.7	Confident	38 Å²	38	82.6 Å²	82.6	39%	0.392	42%	0.42	S	S	.	.	S	Bend	trans	65.4	-160.9	178.3	0	0	0	0	0	113.5
303	H	93.6	Very high	86.2	Confident	171 Å²	171	83.8 Å²	83.8	79%	0.792	41%	0.414	S	S	*	.			trans	-134.5	8.9	-170.1	-56	-61.6	0	0	0	113.8
304	D	91.5	Very high	85.7	Confident	84 Å²	84	82.9 Å²	82.9	45%	0.449	41%	0.407	S	S	.	.			trans	-60.6	140.1	174.9	-78.4	-51.4	0	0	0	110.6	P297 I298 S308	P297-D304 CarbonylContact C-O 3.44Å; P297-D304 WeakPolarHBondContact CA-O 3.49Å; I298-D304 HydrophobicContact CD1-CB 4.07Å; I298-D304 HydrophobicContact CG1-CB 3.95Å; I298-D304 WeakPolarHBondContact CG1-O 3.32Å; I298-D304 PolarHBondContact N-O 2.82Å; D304-S308 PolarHBondContact OD1-OG 3.43Å
305	T	91.4	Very high	85.6	Confident	29 Å²	29	82.2 Å²	82.2	18%	0.178	40%	0.399	C	S	.	.			trans	-120.9	-179.6	177.7	66.5	0	0	0	0	110.2	I298 K307 S308	I298-T305 VanDerWaalsContact CG2-C 3.46Å; T305-K307 PolarHBondContact O-N 3.29Å; T305-K307 PolarHBondContact OG1-N 2.9Å; T305-S308 WeakPolarHBondContact O-CB 3.1Å; T305-S308 PolarHBondContact O-N 3.09Å
306	M	86.6	Confident	85.3	Confident	69 Å²	69	72.8 Å²	72.8	34%	0.34	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-56.3	-18.9	176.4	-70.5	-58.5	-65	0	0	113.4	Y288 I298 S308 M309 L316	Y288-M306 HydrophobicContact CD1-CE 4.49Å; Y288-M306 HydrophobicContact CD1-SD 3.77Å; Y288-M306 HydrophobicContact CG-SD 4.25Å; I298-M306 HydrophobicContact CG2-CG 3.93Å; I298-M306 HydrophobicContact CG2-SD 3.5Å; I298-M306 WeakPolarHBondContact CG2-SD 3.42Å; M306-S308 VanDerWaalsContact C-N 3.3Å; M306-S308 PolarHBondContact O-N 3.34Å; M306-M309 PolarHBondContact O-N 3.5Å; M306-M309 VanDerWaalsContact O-N 3.15Å; M306-L316 HydrophobicContact CE-CD1 4.35Å
307	K	85.8	Confident	85	Confident	181 Å²	181	76.9 Å²	76.9	79%	0.787	39%	0.388	S	S	*	.	G	3₁₀ helix	trans	-58.8	-39.2	170.3	-98.9	-176.8	174.7	179.3	0	112.8	T305 M309 K310	T305-K307 PolarHBondContact O-N 3.29Å; T305-K307 PolarHBondContact OG1-N 2.9Å; K307-M309 PolarHBondContact O-N 2.69Å; K307-K310 WeakPolarHBondContact O-CB 3.38Å; K307-K310 PolarHBondContact O-N 2.96Å
308	S	83.8	Confident	84.7	Confident	71 Å²	71	78.4 Å²	78.4	50%	0.497	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-66.4	-19.4	179.4	-54.7	0	0	0	0	112	D304 T305 M306	D304-S308 PolarHBondContact OD1-OG 3.43Å; T305-S308 WeakPolarHBondContact O-CB 3.1Å; T305-S308 PolarHBondContact O-N 3.09Å; M306-S308 VanDerWaalsContact C-N 3.3Å; M306-S308 PolarHBondContact O-N 3.34Å
309	M	78.2	Confident	84.7	Confident	46 Å²	46	78.9 Å²	78.9	23%	0.227	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-98.8	1.6	-178.8	-60.8	-61.6	-69.9	0	0	114	I298 M306 K307 N311 S312 L316	I298-M309 HydrophobicContact CD1-CG 3.76Å; I298-M309 HydrophobicContact CD1-SD 4.08Å; M306-M309 PolarHBondContact O-N 3.5Å; M306-M309 VanDerWaalsContact O-N 3.15Å; K307-M309 PolarHBondContact O-N 2.69Å; M309-N311 PolarHBondContact O-N 3.18Å; M309-N311 VanDerWaalsContact O-N 3.09Å; M309-S312 WeakPolarHBondContact O-CB 3.13Å; M309-S312 PolarHBondContact O-N 3.08Å; M309-L316 HydrophobicContact CE-CD1 4.23Å
310	K	71.9	Confident	84.5	Confident	177 Å²	177	79.3 Å²	79.3	77%	0.77	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-30.3	-171.7	-172.4	177.8	177.5	-176.6	0	114.3	K307	K307-K310 WeakPolarHBondContact O-CB 3.38Å; K307-K310 PolarHBondContact O-N 2.96Å
311	N	68.3	Low	84.3	Confident	143 Å²	143	85.5 Å²	85.5	77%	0.765	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.7	24.6	179.1	-60.6	-25.1	0	0	0	112.1	M309	M309-N311 PolarHBondContact O-N 3.18Å; M309-N311 VanDerWaalsContact O-N 3.09Å
312	S	71.6	Confident	84.1	Confident	41 Å²	41	84.2 Å²	84.2	29%	0.287	43%	0.43	S	S	.	.			trans	-61.8	139.6	178.4	-179.6	0	0	0	0	110.8	M309 H314	M309-S312 WeakPolarHBondContact O-CB 3.13Å; M309-S312 PolarHBondContact O-N 3.08Å; S312-H314 PolarHBondContact O-N 3.39Å; S312-H314 PolarHBondContact OG-CD2 3.02Å; S312-H314 PolarHBondContact OG-N 2.8Å; S312-H314 VanDerWaalsContact OG-N 3.14Å
313	Y	70.6	Confident	84.1	Confident	171 Å²	171	83 Å²	83	67%	0.671	41%	0.414	S	S	*	.	S	Bend	trans	-77.6	0.8	172.3	-63.4	-79.8	0	0	0	112.5	V262	V262-Y313 WeakPolarHBondContact CA-O 3.5Å; V262-Y313 WeakPolarHBondContact CB-O 3.43Å; V262-Y313 WeakPolarHBondContact CG1-O 3.41Å; V262-Y313 WeakPolarHBondContact CG2-O 3.16Å
314	H	75.7	Confident	84.1	Confident	58 Å²	58	79.1 Å²	79.1	27%	0.269	40%	0.395	S	S	.	.	S	Bend	trans	-101.2	141.1	-176.2	-56.1	-67.2	0	0	0	112.7	H263 T265 S312 L316	H263-H314 PolarHBondContact O-CE1 3.5Å; H263-H314 PolarHBondContact O-ND1 3.38Å; T265-H314 HydrophobicContact CG2-CB 3.79Å; T265-H314 VanDerWaalsContact CG2-CG 3.48Å; S312-H314 PolarHBondContact O-N 3.39Å; S312-H314 PolarHBondContact OG-CD2 3.02Å; S312-H314 PolarHBondContact OG-N 2.8Å; S312-H314 VanDerWaalsContact OG-N 3.14Å; H314-L316 HydrophobicContact CB-CD2 3.87Å; H314-L316 PolarHBondContact O-N 3.08Å
315	D	79.4	Confident	84.1	Confident	74 Å²	74	82.1 Å²	82.1	40%	0.396	40%	0.404	S	S	.	.			trans	-90.9	84.4	169.1	-170.4	-19	0	0	0	110.3	V262 N317 H318 E319	V262-D315 HydrophobicContact CG1-CB 4.32Å; D315-N317 PolarHBondContact O-N 2.92Å; D315-N317 PolarHBondContact OD1-N 3.37Å; D315-H318 HydrophobicContact CB-CB 3.91Å; D315-H318 PolarHBondContact O-N 3.08Å; D315-H318 VanDerWaalsContact O-N 3.16Å; D315-H318 WeakPolarHBondContact OD1-CB 3.36Å; D315-H318 PolarHBondContact OD1-N 2.87Å; D315-H318 WeakPolarHBondContact OD2-CB 3.19Å; D315-E319 PolarHBondContact O-N 3.45Å
316	L	82.3	Confident	84.1	Confident	23 Å²	23	80.9 Å²	80.9	12%	0.12	40%	0.396	C	S	.	.	H	α-helix	trans	-61.4	-32.3	-176.4	-56.1	-178.9	0	0	0	112.7	T265 Y288 M306 M309 H314 A320	T265-L316 HydrophobicContact CG2-CD2 4.14Å; Y288-L316 HydrophobicContact CD1-CD1 4.21Å; Y288-L316 HydrophobicContact CD2-CB 4.2Å; Y288-L316 HydrophobicContact CD2-CD1 4.14Å; Y288-L316 HydrophobicContact CE1-CD1 3.83Å; Y288-L316 HydrophobicContact CE2-CB 3.86Å; Y288-L316 HydrophobicContact CE2-CD1 3.75Å; Y288-L316 HydrophobicContact CE2-CD2 3.73Å; Y288-L316 HydrophobicContact CE2-CG 3.97Å; Y288-L316 HydrophobicContact CG-CD1 4.36Å; Y288-L316 VanDerWaalsContact OH-CD2 3.26Å; Y288-L316 WeakPolarHBondContact OH-CD2 3.28Å; M306-L316 HydrophobicContact CE-CD1 4.35Å; M309-L316 HydrophobicContact CE-CD1 4.23Å; H314-L316 HydrophobicContact CB-CD2 3.87Å; H314-L316 PolarHBondContact O-N 3.08Å; L316-A320 WeakPolarHBondContact O-CB 3.05Å; L316-A320 PolarHBondContact O-N 2.82Å
317	N	85.1	Confident	84.3	Confident	125 Å²	125	79.3 Å²	79.3	67%	0.668	39%	0.388	S	S	*	.	H	α-helix	trans	-70	-40	178.4	-71.7	-27.1	0	0	0	110.9	D315 K321	D315-N317 PolarHBondContact O-N 2.92Å; D315-N317 PolarHBondContact OD1-N 3.37Å; N317-K321 WeakPolarHBondContact O-CG 3.38Å; N317-K321 PolarHBondContact O-N 2.68Å
318	H	87.9	Confident	84.5	Confident	59 Å²	59	75.8 Å²	75.8	27%	0.273	38%	0.378	S	S	.	.	H	α-helix	trans	-69.1	-39.7	177.4	-167.1	67.1	0	0	0	112.3	L250 D315 K321 A322	L250-H318 PolarHBondContact O-NE2 2.89Å; D315-H318 HydrophobicContact CB-CB 3.91Å; D315-H318 PolarHBondContact O-N 3.08Å; D315-H318 VanDerWaalsContact O-N 3.16Å; D315-H318 WeakPolarHBondContact OD1-CB 3.36Å; D315-H318 PolarHBondContact OD1-N 2.87Å; D315-H318 WeakPolarHBondContact OD2-CB 3.19Å; H318-K321 PolarHBondContact O-N 3.25Å; H318-A322 PolarHBondContact O-N 2.93Å
319	E	92.3	Very high	84.7	Confident	13 Å²	13	73.9 Å²	73.9	6%	0.061	37%	0.365	C	S	.	.	H	α-helix	trans	-64.2	-42.5	172.9	-69	-173.7	-169.6	0	0	112.3	L250 T265 I268 D315 K321 A322 L323	L250-E319 HydrophobicContact CD1-CG 4.03Å; L250-E319 HydrophobicContact CD2-CG 4.11Å; T265-E319 WeakPolarHBondContact CB-OE2 3.36Å; T265-E319 WeakPolarHBondContact CG2-OE1 3.49Å; T265-E319 WeakPolarHBondContact CG2-OE2 3.43Å; T265-E319 PolarHBondContact N-OE1 2.91Å; T265-E319 PolarHBondContact OG1-OE2 3.03Å; I268-E319 HydrophobicContact CB-CG 4.33Å; I268-E319 HydrophobicContact CG1-CG 4.44Å; I268-E319 HydrophobicContact CG2-CG 4.12Å; D315-E319 PolarHBondContact O-N 3.45Å; E319-K321 VanDerWaalsContact C-N 3.32Å; E319-K321 PolarHBondContact O-N 3.49Å; E319-A322 WeakPolarHBondContact O-CB 3.39Å; E319-A322 PolarHBondContact O-N 2.88Å; E319-A322 VanDerWaalsContact O-N 3.08Å; E319-L323 PolarHBondContact O-N 3.43Å
320	A	91.4	Very high	85.1	Confident	53 Å²	53	72.2 Å²	72.2	44%	0.438	36%	0.359	S	S	.	.	H	α-helix	trans	-60.2	-41.2	175.2	0	0	0	0	0	112	L316 A322 L323 K324	L316-A320 WeakPolarHBondContact O-CB 3.05Å; L316-A320 PolarHBondContact O-N 2.82Å; A320-A322 VanDerWaalsContact C-N 3.31Å; A320-A322 PolarHBondContact O-N 3.49Å; A320-L323 PolarHBondContact O-N 3.27Å; A320-K324 WeakPolarHBondContact O-CB 3.22Å; A320-K324 PolarHBondContact O-N 3Å
321	K	92.2	Very high	85.8	Confident	135 Å²	135	63.9 Å²	63.9	59%	0.587	32%	0.323	S	S	*	.	H	α-helix	trans	-63.1	-36.7	173.3	-73.3	172.3	-176.3	176.9	0	112.3	N317 H318 E319 K325	N317-K321 WeakPolarHBondContact O-CG 3.38Å; N317-K321 PolarHBondContact O-N 2.68Å; H318-K321 PolarHBondContact O-N 3.25Å; E319-K321 VanDerWaalsContact C-N 3.32Å; E319-K321 PolarHBondContact O-N 3.49Å; K321-K325 WeakPolarHBondContact O-CG 3.39Å; K321-K325 PolarHBondContact O-N 2.95Å; K321-K325 VanDerWaalsContact O-N 3.13Å
322	A	92.9	Very high	86.9	Confident	7 Å²	7	57.1 Å²	57.1	6%	0.058	29%	0.287	C	S	.	.	H	α-helix	trans	-67	-45.5	176.7	0	0	0	0	0	111.4	L249 L250 H318 E319 A320 K324 K325 L326	L249-A322 HydrophobicContact CD1-CB 4.14Å; L249-A322 HydrophobicContact CG-CB 4.25Å; L250-A322 HydrophobicContact CD2-CB 3.68Å; H318-A322 PolarHBondContact O-N 2.93Å; E319-A322 WeakPolarHBondContact O-CB 3.39Å; E319-A322 PolarHBondContact O-N 2.88Å; E319-A322 VanDerWaalsContact O-N 3.08Å; A320-A322 VanDerWaalsContact C-N 3.31Å; A320-A322 PolarHBondContact O-N 3.49Å; A322-K324 VanDerWaalsContact C-N 3.31Å; A322-K324 PolarHBondContact O-N 3.36Å; A322-K325 PolarHBondContact O-N 3.4Å; A322-L326 WeakPolarHBondContact O-CG 3.31Å; A322-L326 PolarHBondContact O-N 2.94Å
323	L	94.1	Very high	88	Confident	12 Å²	12	58.7 Å²	58.7	6%	0.063	29%	0.292	C	S	.	.	H	α-helix	trans	-59.4	-42.3	174	-69.7	173.6	0	0	0	111.8	I268 V271 I283 F286 E319 A320 K325 L326 E327 I332	I268-L323 HydrophobicContact CD1-CD1 4.46Å; I268-L323 HydrophobicContact CD1-CD2 3.52Å; I268-L323 HydrophobicContact CD1-CG 3.72Å; V271-L323 HydrophobicContact CB-CD2 4.43Å; V271-L323 HydrophobicContact CG1-CD2 4.11Å; V271-L323 HydrophobicContact CG2-CD2 4.11Å; I283-L323 HydrophobicContact CD1-CD2 4.11Å; F286-L323 HydrophobicContact CB-CD1 4.16Å; F286-L323 HydrophobicContact CD1-CD1 3.63Å; F286-L323 HydrophobicContact CE1-CD1 4.42Å; F286-L323 HydrophobicContact CG-CD1 4.2Å; E319-L323 PolarHBondContact O-N 3.43Å; A320-L323 PolarHBondContact O-N 3.27Å; L323-K325 VanDerWaalsContact C-N 3.34Å; L323-K325 PolarHBondContact O-N 3.31Å; L323-L326 HydrophobicContact CD2-CD1 4.5Å; L323-L326 WeakPolarHBondContact O-CB 3.27Å; L323-L326 PolarHBondContact O-N 3.44Å; L323-L326 VanDerWaalsContact O-N 3.17Å; L323-E327 PolarHBondContact O-N 2.97Å; L323-I332 HydrophobicContact CD2-CD1 4.01Å
324	K	92.7	Very high	89.1	Confident	91 Å²	91	52.4 Å²	52.4	40%	0.396	27%	0.267	S	S	.	.	H	α-helix	trans	-60.5	-42.6	177.4	-175	51	178.2	152.4	0	112.3	A320 A322 L326 E327 D328	A320-K324 WeakPolarHBondContact O-CB 3.22Å; A320-K324 PolarHBondContact O-N 3Å; A322-K324 VanDerWaalsContact C-N 3.31Å; A322-K324 PolarHBondContact O-N 3.36Å; K324-L326 VanDerWaalsContact C-N 3.35Å; K324-L326 PolarHBondContact O-N 3.35Å; K324-E327 WeakPolarHBondContact CD-OE2 3.23Å; K324-E327 IonicContact NZ-OE2 2.84Å; K324-E327 PolarHBondContact NZ-OE2 2.86Å; K324-E327 PolarHBondContact O-N 3.39Å; K324-D328 WeakPolarHBondContact CE-OD1 3.43Å; K324-D328 IonicContact NZ-OD1 2.66Å; K324-D328 PolarHBondContact NZ-OD1 3.41Å; K324-D328 IonicContact NZ-OD2 3.97Å; K324-D328 WeakPolarHBondContact O-CB 3.31Å; K324-D328 PolarHBondContact O-N 3.26Å
325	K	91.6	Very high	90	Very high	147 Å²	147	51.3 Å²	51.3	64%	0.639	26%	0.263	S	S	*	.	H	α-helix	trans	-63.3	-38.5	174.7	-71.5	173.8	-179.8	-179	0	113.1	K321 A322 L323 E327 S329	K321-K325 WeakPolarHBondContact O-CG 3.39Å; K321-K325 PolarHBondContact O-N 2.95Å; K321-K325 VanDerWaalsContact O-N 3.13Å; A322-K325 PolarHBondContact O-N 3.4Å; L323-K325 VanDerWaalsContact C-N 3.34Å; L323-K325 PolarHBondContact O-N 3.31Å; K325-E327 VanDerWaalsContact C-N 3.33Å; K325-S329 WeakPolarHBondContact O-CB 3.43Å; K325-S329 PolarHBondContact O-N 3.37Å; K325-S329 VanDerWaalsContact O-N 3.09Å; K325-S329 PolarHBondContact O-OG 3.01Å
326	L	91.5	Very high	90.4	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-66.1	-38.1	175.6	-68.6	172.2	0	0	0	111.4	L62 F64 L249 V271 L275 A322 L323 K324 S329 G330 A331 I332	L62-L326 HydrophobicContact CD1-CD2 3.72Å; L62-L326 HydrophobicContact CD2-CD2 4.31Å; F64-L326 HydrophobicContact CE2-CD2 4.23Å; L249-L326 HydrophobicContact CD1-CD1 3.9Å; L249-L326 HydrophobicContact CD1-CD2 4.19Å; L249-L326 HydrophobicContact CD1-CG 4.13Å; L249-L326 HydrophobicContact CD2-CD1 4.26Å; V271-L326 HydrophobicContact CG1-CD1 4.07Å; L275-L326 HydrophobicContact CD1-CD1 3.91Å; L275-L326 HydrophobicContact CD1-CD2 3.9Å; A322-L326 WeakPolarHBondContact O-CG 3.31Å; A322-L326 PolarHBondContact O-N 2.94Å; L323-L326 HydrophobicContact CD2-CD1 4.5Å; L323-L326 WeakPolarHBondContact O-CB 3.27Å; L323-L326 PolarHBondContact O-N 3.44Å; L323-L326 VanDerWaalsContact O-N 3.17Å; K324-L326 VanDerWaalsContact C-N 3.35Å; K324-L326 PolarHBondContact O-N 3.35Å; L326-S329 PolarHBondContact O-OG 3.43Å; L326-G330 PolarHBondContact O-N 3.25Å; L326-A331 HydrophobicContact CD2-CB 4.34Å; L326-A331 PolarHBondContact O-N 3.33Å; L326-I332 HydrophobicContact CB-CD1 3.71Å; L326-I332 HydrophobicContact CB-CG1 3.79Å; L326-I332 HydrophobicContact CB-CG2 4.35Å; L326-I332 HydrophobicContact CD1-CD1 4.38Å; L326-I332 PolarHBondContact O-N 2.93Å
327	E	91.6	Very high	90.2	Very high	36 Å²	36	52.8 Å²	52.8	17%	0.168	28%	0.276	C	S	.	.	H	α-helix	trans	-67.9	-47.3	174.4	-177.7	-172.7	-131.7	0	0	111.8	L323 K324 K325 S329 G330 I332 Y334 H338	L323-E327 PolarHBondContact O-N 2.97Å; K324-E327 WeakPolarHBondContact CD-OE2 3.23Å; K324-E327 IonicContact NZ-OE2 2.84Å; K324-E327 PolarHBondContact NZ-OE2 2.86Å; K324-E327 PolarHBondContact O-N 3.39Å; K325-E327 VanDerWaalsContact C-N 3.33Å; E327-S329 PolarHBondContact O-N 2.89Å; E327-G330 WeakPolarHBondContact O-CA 3.35Å; E327-G330 PolarHBondContact O-N 3.33Å; E327-I332 HydrophobicContact CB-CG1 4.28Å; E327-Y334 HydrophobicContact CG-CD2 4.35Å; E327-Y334 VanDerWaalsContact OE1-CD2 3.31Å; E327-Y334 WeakPolarHBondContact OE1-CD2 3.48Å; E327-H338 IonicContact OE1-CD2 3.81Å; E327-H338 IonicContact OE1-CE1 3.5Å; E327-H338 PolarHBondContact OE1-CE1 3.04Å; E327-H338 IonicContact OE1-NE2 2.73Å; E327-H338 PolarHBondContact OE1-NE2 2.76Å; E327-H338 IonicContact OE2-CD2 3.9Å; E327-H338 IonicContact OE2-CE1 3.49Å; E327-H338 PolarHBondContact OE2-CE1 3.4Å; E327-H338 IonicContact OE2-NE2 2.84Å; E327-H338 PolarHBondContact OE2-NE2 3.26Å
328	D	89.9	Confident	89.4	Confident	108 Å²	108	51.6 Å²	51.6	58%	0.578	27%	0.267	S	S	*	.	H	α-helix	trans	-62.5	-32.3	-178.5	-70.5	-23.6	0	0	0	112.5	K324 G330	K324-D328 WeakPolarHBondContact CE-OD1 3.43Å; K324-D328 IonicContact NZ-OD1 2.66Å; K324-D328 PolarHBondContact NZ-OD1 3.41Å; K324-D328 IonicContact NZ-OD2 3.97Å; K324-D328 WeakPolarHBondContact O-CB 3.31Å; K324-D328 PolarHBondContact O-N 3.26Å; D328-G330 VanDerWaalsContact C-N 3.25Å
329	S	87.1	Confident	87.5	Confident	31 Å²	31	57.9 Å²	57.9	22%	0.217	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-9.4	172.2	55.2	0	0	0	0	113.5	K325 L326 E327 A331	K325-S329 WeakPolarHBondContact O-CB 3.43Å; K325-S329 PolarHBondContact O-N 3.37Å; K325-S329 VanDerWaalsContact O-N 3.09Å; K325-S329 PolarHBondContact O-OG 3.01Å; L326-S329 PolarHBondContact O-OG 3.43Å; E327-S329 PolarHBondContact O-N 2.89Å; S329-A331 VanDerWaalsContact C-N 3.27Å; S329-A331 PolarHBondContact O-N 3.47Å
330	G	86.5	Confident	87.3	Confident	10 Å²	10	60.2 Å²	60.2	10%	0.103	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	70	21.5	-175.5	0	0	0	0	0	113.5	W53 L326 E327 D328	W53-G330 WeakPolarHBondContact CH2-O 3.41Å; W53-G330 WeakPolarHBondContact CZ3-O 3.1Å; L326-G330 PolarHBondContact O-N 3.25Å; E327-G330 WeakPolarHBondContact O-CA 3.35Å; E327-G330 PolarHBondContact O-N 3.33Å; D328-G330 VanDerWaalsContact C-N 3.25Å
331	A	87.8	Confident	87.1	Confident	3 Å²	3	60.5 Å²	60.5	3%	0.025	31%	0.307	C	S	.	.	S	Bend	trans	-78.2	-25.2	175	0	0	0	0	0	112.6	L62 L275 L326 S329	L62-A331 HydrophobicContact CD1-CB 3.35Å; L275-A331 HydrophobicContact CD2-CB 4.26Å; L275-A331 WeakPolarHBondContact CD2-O 3.2Å; L326-A331 HydrophobicContact CD2-CB 4.34Å; L326-A331 PolarHBondContact O-N 3.33Å; S329-A331 VanDerWaalsContact C-N 3.27Å; S329-A331 PolarHBondContact O-N 3.47Å
332	I	92.1	Very high	86.8	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.291	C	S	.	.	S	Bend	trans	-130.5	159.8	167.9	68.5	-179.4	0	0	0	110.2	V271 L275 V281 I283 L323 L326 E327	V271-I332 HydrophobicContact CG1-CG2 4.16Å; L275-I332 HydrophobicContact CD1-CG2 4.43Å; L275-I332 HydrophobicContact CD2-CG2 3.88Å; L275-I332 HydrophobicContact CG-CG2 4.33Å; V281-I332 HydrophobicContact CB-CG2 4.16Å; V281-I332 HydrophobicContact CG1-CG2 3.85Å; V281-I332 VanDerWaalsContact O-CA 3.24Å; V281-I332 WeakPolarHBondContact O-CA 3.45Å; I283-I332 HydrophobicContact CD1-CD1 3.63Å; I283-I332 HydrophobicContact CG1-CD1 4.2Å; L323-I332 HydrophobicContact CD2-CD1 4.01Å; L326-I332 HydrophobicContact CB-CD1 3.71Å; L326-I332 HydrophobicContact CB-CG1 3.79Å; L326-I332 HydrophobicContact CB-CG2 4.35Å; L326-I332 HydrophobicContact CD1-CD1 4.38Å; L326-I332 PolarHBondContact O-N 2.93Å; E327-I332 HydrophobicContact CB-CG1 4.28Å
333	L	92.9	Very high	86.4	Confident	75 Å²	75	59.3 Å²	59.3	39%	0.393	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	138.3	169	-63.1	172.1	0	0	0	111	W53 V281 H282 I283	W53-L333 HydrophobicContact CZ3-CD1 4.39Å; V281-L333 PolarHBondContact O-N 3.04Å; H282-L333 CarbonylContact C-O 3.51Å; H282-L333 WeakPolarHBondContact CA-O 3.4Å; H282-L333 WeakPolarHBondContact CB-O 3.32Å; I283-L333 PolarHBondContact N-O 2.78Å
334	Y	94.8	Very high	86	Confident	39 Å²	39	62.3 Å²	62.3	15%	0.153	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	137.6	170.9	-82.8	-103.9	0	0	0	111	I283 F286 E327 H336 H338	I283-Y334 HydrophobicContact CD1-CD1 4.18Å; I283-Y334 HydrophobicContact CD1-CD2 3.96Å; I283-Y334 HydrophobicContact CD1-CE1 3.7Å; I283-Y334 HydrophobicContact CD1-CE2 3.42Å; I283-Y334 VanDerWaalsContact CD1-CE2 3.42Å; I283-Y334 HydrophobicContact CD1-CG 4.31Å; I283-Y334 HydrophobicContact CG1-CD1 4Å; I283-Y334 HydrophobicContact CG1-CD2 3.92Å; I283-Y334 HydrophobicContact CG1-CE1 4.03Å; I283-Y334 HydrophobicContact CG1-CE2 3.93Å; I283-Y334 HydrophobicContact CG1-CG 3.96Å; I283-Y334 CarbonylContact O-C 3.51Å; I283-Y334 WeakPolarHBondContact O-CA 3.47Å; F286-Y334 HydrophobicContact CB-CE1 3.87Å; E327-Y334 HydrophobicContact CG-CD2 4.35Å; E327-Y334 VanDerWaalsContact OE1-CD2 3.31Å; E327-Y334 WeakPolarHBondContact OE1-CD2 3.48Å; Y334-H336 VanDerWaalsContact C-N 3.32Å; Y334-H336 WeakPolarHBondContact CB-O 3.35Å; Y334-H336 AromaticContact CD1-CE1 3.76Å; Y334-H336 AromaticContact CD1-NE2 3.96Å; Y334-H338 AromaticContact CD2-CE1 3.62Å; Y334-H338 AromaticContact CE2-CE1 3.55Å; Y334-H338 AromaticContact CG-CE1 3.92Å; Y334-H338 AromaticContact CZ-CE1 3.77Å
335	L	93.9	Very high	85.5	Confident	35 Å²	35	60.3 Å²	60.3	18%	0.183	32%	0.315	C	S	.	.	S	Bend	trans	-82	-12.9	175.2	-60.1	-179.4	0	0	0	113.3	L139 I143 Y146 H282 I283 A284	L139-L335 HydrophobicContact CD1-CB 3.82Å; L139-L335 HydrophobicContact CD2-CB 4.28Å; L139-L335 WeakPolarHBondContact CD2-O 3.49Å; I143-L335 HydrophobicContact CG1-CD1 4.06Å; Y146-L335 HydrophobicContact CE2-CD1 4.2Å; Y146-L335 VanDerWaalsContact OH-CD2 3.28Å; Y146-L335 WeakPolarHBondContact OH-CD2 3.42Å; H282-L335 HydrophobicContact CB-CD1 4.43Å; H282-L335 HydrophobicContact CB-CD2 3.68Å; H282-L335 HydrophobicContact CB-CG 4Å; I283-L335 PolarHBondContact O-N 2.94Å; A284-L335 HydrophobicContact CB-CB 4.15Å; A284-L335 HydrophobicContact CB-CD1 4.26Å; A284-L335 HydrophobicContact CB-CG 4.49Å
336	H	88.3	Confident	85.1	Confident	17 Å²	17	54.1 Å²	54.1	8%	0.079	29%	0.292	C	S	.	.	S	Bend	trans	-127.4	156.3	175.1	59.5	78.8	0	0	0	110.1	V133 L139 G285 Y334	V133-H336 VanDerWaalsContact CG2-CE1 3.42Å; V133-H336 WeakPolarHBondContact CG2-CE1 3.41Å; L139-H336 HydrophobicContact CD1-CB 4.02Å; G285-H336 PolarHBondContact N-NE2 3.15Å; Y334-H336 VanDerWaalsContact C-N 3.32Å; Y334-H336 WeakPolarHBondContact CB-O 3.35Å; Y334-H336 AromaticContact CD1-CE1 3.76Å; Y334-H336 AromaticContact CD1-NE2 3.96Å
337	P	77.8	Confident	84.6	Confident	110 Å²	110	58.2 Å²	58.2	71%	0.714	31%	0.314	S	S	*	.			trans	-58	152.3	169.8	-21.9	33.5	0	0	0	112.2
338	H	68.3	Low	84	Confident	100 Å²	100	60 Å²	60	46%	0.463	33%	0.326	S	S	.	.			trans	-64.9	138.1	163.3	-61.5	-71.3	0	0	0	109.2	E327 Y334	E327-H338 IonicContact OE1-CD2 3.81Å; E327-H338 IonicContact OE1-CE1 3.5Å; E327-H338 PolarHBondContact OE1-CE1 3.04Å; E327-H338 IonicContact OE1-NE2 2.73Å; E327-H338 PolarHBondContact OE1-NE2 2.76Å; E327-H338 IonicContact OE2-CD2 3.9Å; E327-H338 IonicContact OE2-CE1 3.49Å; E327-H338 PolarHBondContact OE2-CE1 3.4Å; E327-H338 IonicContact OE2-NE2 2.84Å; E327-H338 PolarHBondContact OE2-NE2 3.26Å; Y334-H338 AromaticContact CD2-CE1 3.62Å; Y334-H338 AromaticContact CE2-CE1 3.55Å; Y334-H338 AromaticContact CG-CE1 3.92Å; Y334-H338 AromaticContact CZ-CE1 3.77Å
339	L	48.8	Very low	83.5	Confident	192 Å²	192	55.6 Å²	55.6	100%	1.005	30%	0.303	S	S	*	.			trans	-87.6	0	171	-75.2	177.8	0	0	0	111.5	V133	V133-L339 HydrophobicContact CB-CD1 4.12Å; V133-L339 HydrophobicContact CG2-CB 4.45Å; V133-L339 HydrophobicContact CG2-CD1 3.62Å; V133-L339 HydrophobicContact CG2-CG 3.78Å

Retrieved 339 of 339 residues in 605.6 ms (Link to these results)

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