A0A087Y3I7_POEFO Loading...

Torsin

AlphaFold DB , UniProt , Accession A0A087Y3I7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 337 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	39.1	Very low	49.7	Very low	246 Å²	246	145.2 Å²	145.2	100%	1.212	70%	0.697	S	S	*	*				0	93.8	0	-80.3	168.1	158.8	0	0	108.1
2	Q	40.1	Very low	50.1	Low	188 Å²	188	147.9 Å²	147.9	88%	0.879	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-86.5	135.7	175.8	-81.6	173.6	-33.9	0	0	108.7	R4	Q2-R4 PolarHBondContact O-N 3.19Å
3	P	45.1	Very low	50.3	Low	117 Å²	117	145.8 Å²	145.8	76%	0.76	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-64.9	133.7	176.2	9.8	-2.4	0	0	0	109.7	R5	P3-R5 PolarHBondContact O-N 2.8Å
4	R	47.3	Very low	50.5	Low	185 Å²	185	142.9 Å²	142.9	70%	0.698	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-54.9	125.5	178.2	-89.7	176	166.6	167.3	-5.5	110.5	Q2 Q6 H7	Q2-R4 PolarHBondContact O-N 3.19Å; R4-Q6 PolarHBondContact O-N 3.25Å; R4-H7 PolarHBondContact O-N 2.91Å
5	R	51.1	Low	50.4	Low	220 Å²	220	144.1 Å²	144.1	83%	0.83	68%	0.682	S	S	*	*	H	α-helix	trans	-44.4	-20.8	171.3	-107.2	177.9	168.7	-178.8	-3.8	115.2	P3 L9	P3-R5 PolarHBondContact O-N 2.8Å; R5-L9 PolarHBondContact O-N 2.77Å
6	Q	51.1	Low	50.5	Low	127 Å²	127	146.8 Å²	146.8	59%	0.593	69%	0.685	S	S	*	*	H	α-helix	trans	-66.4	-32.4	176.6	-75.8	174	-33.7	0	0	113.5	R4 L10	R4-Q6 PolarHBondContact O-N 3.25Å; Q6-L10 PolarHBondContact O-N 3.28Å; Q6-L10 VanDerWaalsContact O-N 3.16Å
7	H	50.6	Low	50.4	Low	118 Å²	118	142.6 Å²	142.6	55%	0.546	68%	0.676	S	S	.	*	H	α-helix	trans	-76.9	-27.4	-179.8	-66.9	-56.9	0	0	0	113.1	R4 L11	R4-H7 PolarHBondContact O-N 2.91Å; H7-L11 WeakPolarHBondContact O-CB 3.34Å; H7-L11 PolarHBondContact O-N 3.35Å
8	V	56.8	Low	50	Low	87 Å²	87	140.1 Å²	140.1	53%	0.527	68%	0.676	S	S	.	*	H	α-helix	trans	-73.3	-37.6	175.4	-178.1	0	0	0	0	111.1	L11 W12	V8-L11 PolarHBondContact O-N 3.23Å; V8-W12 WeakPolarHBondContact O-CB 3.49Å; V8-W12 PolarHBondContact O-N 3.3Å
9	L	55	Low	49.7	Very low	111 Å²	111	140.5 Å²	140.5	58%	0.581	68%	0.679	S	S	*	*	H	α-helix	trans	-66	-40	173.6	-90.9	151.3	0	0	0	112.4	R5 W12 L13	R5-L9 PolarHBondContact O-N 2.77Å; L9-W12 PolarHBondContact O-N 2.74Å; L9-L13 WeakPolarHBondContact O-CB 3.43Å; L9-L13 WeakPolarHBondContact O-CD1 3.26Å; L9-L13 WeakPolarHBondContact O-CG 3.41Å; L9-L13 PolarHBondContact O-N 2.47Å
10	L	54.2	Low	49.6	Very low	95 Å²	95	137.8 Å²	137.8	50%	0.497	68%	0.681	S	S	.	*	H	α-helix	trans	-66.3	-39.6	174.7	-97.6	145.3	0	0	0	112.3	Q6 L13 L14	Q6-L10 PolarHBondContact O-N 3.28Å; Q6-L10 VanDerWaalsContact O-N 3.16Å; L10-L13 PolarHBondContact O-N 3.39Å; L10-L14 WeakPolarHBondContact O-CB 3.42Å; L10-L14 WeakPolarHBondContact O-CD1 3.36Å; L10-L14 WeakPolarHBondContact O-CG 3.11Å; L10-L14 PolarHBondContact O-N 3.08Å
11	L	56	Low	49.7	Very low	103 Å²	103	139.1 Å²	139.1	54%	0.539	69%	0.685	S	S	.	*	H	α-helix	trans	-67.5	-35.4	173.9	-88.8	152.9	0	0	0	112.6	H7 V8 F15	H7-L11 WeakPolarHBondContact O-CB 3.34Å; H7-L11 PolarHBondContact O-N 3.35Å; V8-L11 PolarHBondContact O-N 3.23Å; L11-F15 WeakPolarHBondContact O-CB 3.42Å; L11-F15 PolarHBondContact O-N 3.17Å
12	W	54.6	Low	50.2	Low	178 Å²	178	131.8 Å²	131.8	67%	0.674	66%	0.664	S	S	*	*	H	α-helix	trans	-69.3	-40.3	173.3	-96.2	50.7	0	0	0	113	V8 L9 L14 F15 Y16	V8-W12 WeakPolarHBondContact O-CB 3.49Å; V8-W12 PolarHBondContact O-N 3.3Å; L9-W12 PolarHBondContact O-N 2.74Å; W12-L14 VanDerWaalsContact C-N 3.35Å; W12-F15 PolarHBondContact O-N 2.78Å; W12-Y16 PolarHBondContact O-N 2.75Å
13	L	53.3	Low	50.8	Low	121 Å²	121	129.1 Å²	129.1	63%	0.634	66%	0.655	S	S	*	*	H	α-helix	trans	-66.3	-37	174.5	-77.6	159.9	0	0	0	111.8	L9 L10 Y16 S17	L9-L13 WeakPolarHBondContact O-CB 3.43Å; L9-L13 WeakPolarHBondContact O-CD1 3.26Å; L9-L13 WeakPolarHBondContact O-CG 3.41Å; L9-L13 PolarHBondContact O-N 2.47Å; L10-L13 PolarHBondContact O-N 3.39Å; L13-Y16 PolarHBondContact O-N 2.85Å; L13-S17 PolarHBondContact O-N 2.85Å; L13-S17 VanDerWaalsContact O-N 3.11Å
14	L	53.4	Low	51.2	Low	105 Å²	105	129.6 Å²	129.6	55%	0.55	65%	0.647	S	S	.	*	H	α-helix	trans	-72.5	-36.2	176.2	-72.6	166.8	0	0	0	112.3	L10 W12 S17 S18	L10-L14 WeakPolarHBondContact O-CB 3.42Å; L10-L14 WeakPolarHBondContact O-CD1 3.36Å; L10-L14 WeakPolarHBondContact O-CG 3.11Å; L10-L14 PolarHBondContact O-N 3.08Å; W12-L14 VanDerWaalsContact C-N 3.35Å; L14-S17 WeakPolarHBondContact CA-OG 2.99Å; L14-S17 PolarHBondContact O-N 3.37Å; L14-S17 PolarHBondContact O-OG 2.93Å; L14-S18 PolarHBondContact O-N 3.39Å
15	F	48.8	Very low	51.7	Low	161 Å²	161	125.4 Å²	125.4	71%	0.706	64%	0.644	S	S	*	*	H	α-helix	trans	-66.7	-35.4	172.1	-104.8	-89.5	0	0	0	112.8	L11 W12 S17 S18	L11-F15 WeakPolarHBondContact O-CB 3.42Å; L11-F15 PolarHBondContact O-N 3.17Å; W12-F15 PolarHBondContact O-N 2.78Å; F15-S17 VanDerWaalsContact C-N 3.31Å; F15-S17 PolarHBondContact O-N 3.36Å; F15-S18 PolarHBondContact O-N 3.33Å
16	Y	52.3	Low	52.2	Low	186 Å²	186	120.3 Å²	120.3	73%	0.729	63%	0.632	S	S	*	*	H	α-helix	trans	-69.3	-27.1	172.3	-101.2	-88.6	0	0	0	113.2	W12 L13 S18	W12-Y16 PolarHBondContact O-N 2.75Å; L13-Y16 PolarHBondContact O-N 2.85Å; Y16-S18 VanDerWaalsContact C-N 3.34Å
17	S	47.6	Very low	52.8	Low	77 Å²	77	117 Å²	117	54%	0.538	62%	0.622	S	S	.	*	H	α-helix	trans	-76.6	-17.3	177.2	69.7	0	0	0	0	114.4	L13 L14 F15	L13-S17 PolarHBondContact O-N 2.85Å; L13-S17 VanDerWaalsContact O-N 3.11Å; L14-S17 WeakPolarHBondContact CA-OG 2.99Å; L14-S17 PolarHBondContact O-N 3.37Å; L14-S17 PolarHBondContact O-OG 2.93Å; F15-S17 VanDerWaalsContact C-N 3.31Å; F15-S17 PolarHBondContact O-N 3.36Å
18	S	43.4	Very low	53.5	Low	96 Å²	96	113.7 Å²	113.7	67%	0.671	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-6.1	176.9	-176	0	0	0	0	113.6	L14 F15 Y16	L14-S18 PolarHBondContact O-N 3.39Å; F15-S18 PolarHBondContact O-N 3.33Å; Y16-S18 VanDerWaalsContact C-N 3.34Å
19	M	44	Very low	53.8	Low	149 Å²	149	114.2 Å²	114.2	73%	0.734	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.9	45.6	170.5	-66.4	-99.8	79.9	0	0	109.4	E21	M19-E21 PolarHBondContact O-N 3.15Å
20	A	48.9	Very low	54.2	Low	86 Å²	86	113.4 Å²	113.4	71%	0.711	61%	0.609	S	S	*	*			trans	-76.4	70.7	159.5	0	0	0	0	0	107.8	A22	A20-A22 PolarHBondContact O-N 3.2Å
21	E	50.8	Low	54.6	Low	165 Å²	165	111.5 Å²	111.5	77%	0.771	61%	0.607	S	S	*	*			trans	-56.1	126.7	149.4	-77.7	-162.8	159.4	0	0	105.8	M19 L23	M19-E21 PolarHBondContact O-N 3.15Å; E21-L23 VanDerWaalsContact C-N 3.27Å; E21-L23 PolarHBondContact O-N 3.27Å
22	A	49.8	Very low	55	Low	93 Å²	93	111.5 Å²	111.5	77%	0.769	61%	0.612	S	S	*	*			trans	-56.9	94.9	178.4	0	0	0	0	0	108.5	A20 E24	A20-A22 PolarHBondContact O-N 3.2Å; A22-E24 PolarHBondContact O-N 3.43Å
23	L	53.7	Low	55.4	Low	132 Å²	132	105 Å²	105	69%	0.691	60%	0.599	S	S	*	*			trans	-65.6	94.8	166.6	-80.7	175.1	0	0	0	105.8	E21 T28	E21-L23 VanDerWaalsContact C-N 3.27Å; E21-L23 PolarHBondContact O-N 3.27Å; L23-T28 HydrophobicContact CB-CG2 3.64Å; L23-T28 HydrophobicContact CD1-CG2 3.94Å; L23-T28 HydrophobicContact CD2-CG2 4.11Å; L23-T28 HydrophobicContact CG-CG2 4.11Å
24	E	51.9	Low	55.8	Low	126 Å²	126	104.6 Å²	104.6	59%	0.589	60%	0.596	S	S	*	*			trans	-51.9	133.1	176.4	-72.1	-169.8	155.5	0	0	108.6	A22 I26 S27 T28	A22-E24 PolarHBondContact O-N 3.43Å; E24-I26 PolarHBondContact O-N 3.38Å; E24-S27 PolarHBondContact O-N 3.24Å; E24-S27 PolarHBondContact O-OG 3.12Å; E24-T28 PolarHBondContact O-N 3.22Å; E24-T28 PolarHBondContact O-OG1 3.18Å
25	P	59.1	Low	56.2	Low	98 Å²	98	102.1 Å²	102.1	64%	0.636	59%	0.59	S	S	*	*	H	α-helix	trans	-56	-24.3	-174.9	19.2	-30.9	0	0	0	112.5	T28 T29	P25-T28 PolarHBondContact O-OG1 3.11Å; P25-T29 VanDerWaalsContact O-CB 3.27Å; P25-T29 WeakPolarHBondContact O-CB 3.13Å; P25-T29 PolarHBondContact O-N 3.29Å; P25-T29 PolarHBondContact O-OG1 2.58Å
26	I	60.2	Low	57	Low	113 Å²	113	97.3 Å²	97.3	58%	0.579	58%	0.58	S	S	*	*	H	α-helix	trans	-69.4	-48.3	176.6	-56.1	174.6	0	0	0	111	E24 T29 I30	E24-I26 PolarHBondContact O-N 3.38Å; I26-T29 PolarHBondContact O-N 3.22Å; I26-I30 HydrophobicContact CG2-CD1 3.69Å; I26-I30 HydrophobicContact CG2-CG1 4.47Å; I26-I30 WeakPolarHBondContact O-CB 3.24Å; I26-I30 WeakPolarHBondContact O-CD1 3.22Å; I26-I30 WeakPolarHBondContact O-CG1 3.19Å; I26-I30 PolarHBondContact O-N 2.74Å
27	S	64.6	Low	57.6	Low	56 Å²	56	90.9 Å²	90.9	39%	0.392	57%	0.566	S	S	.	*	H	α-helix	trans	-70.5	-36.2	-175.8	53.9	0	0	0	0	112.1	E24 A31	E24-S27 PolarHBondContact O-N 3.24Å; E24-S27 PolarHBondContact O-OG 3.12Å; S27-A31 WeakPolarHBondContact O-CB 3.3Å; S27-A31 PolarHBondContact O-N 2.92Å
28	T	64.9	Low	58.4	Low	50 Å²	50	92.2 Å²	92.2	31%	0.307	57%	0.566	S	S	.	*	H	α-helix	trans	-67.6	-40.1	172.5	47.3	0	0	0	0	112.8	L23 E24 P25 A31 V32	L23-T28 HydrophobicContact CB-CG2 3.64Å; L23-T28 HydrophobicContact CD1-CG2 3.94Å; L23-T28 HydrophobicContact CD2-CG2 4.11Å; L23-T28 HydrophobicContact CG-CG2 4.11Å; E24-T28 PolarHBondContact O-N 3.22Å; E24-T28 PolarHBondContact O-OG1 3.18Å; P25-T28 PolarHBondContact O-OG1 3.11Å; T28-A31 PolarHBondContact O-N 3.46Å; T28-V32 WeakPolarHBondContact O-CB 3.49Å; T28-V32 VanDerWaalsContact O-CG2 3.3Å; T28-V32 WeakPolarHBondContact O-CG2 2.88Å; T28-V32 PolarHBondContact O-N 2.81Å
29	T	63.8	Low	59.3	Low	98 Å²	98	91.9 Å²	91.9	60%	0.601	56%	0.561	S	S	*	*	H	α-helix	trans	-68.1	-38.7	179.3	-55.7	0	0	0	0	111	P25 I26 G33	P25-T29 VanDerWaalsContact O-CB 3.27Å; P25-T29 WeakPolarHBondContact O-CB 3.13Å; P25-T29 PolarHBondContact O-N 3.29Å; P25-T29 PolarHBondContact O-OG1 2.58Å; I26-T29 PolarHBondContact O-N 3.22Å; T29-G33 PolarHBondContact O-N 3.35Å
30	I	63.7	Low	60.2	Low	93 Å²	93	86.8 Å²	86.8	48%	0.477	55%	0.546	S	S	.	.	H	α-helix	trans	-65.4	-45	173.8	-67.2	166.9	0	0	0	110.7	I26 G33 M34	I26-I30 HydrophobicContact CG2-CD1 3.69Å; I26-I30 HydrophobicContact CG2-CG1 4.47Å; I26-I30 WeakPolarHBondContact O-CB 3.24Å; I26-I30 WeakPolarHBondContact O-CD1 3.22Å; I26-I30 WeakPolarHBondContact O-CG1 3.19Å; I26-I30 PolarHBondContact O-N 2.74Å; I30-G33 PolarHBondContact O-N 2.56Å; I30-M34 HydrophobicContact CG2-CE 4.05Å; I30-M34 HydrophobicContact CG2-CG 4.31Å; I30-M34 WeakPolarHBondContact O-CB 3.33Å; I30-M34 WeakPolarHBondContact O-CG 3.4Å; I30-M34 PolarHBondContact O-N 3.18Å
31	A	61.2	Low	60.9	Low	55 Å²	55	87.9 Å²	87.9	46%	0.455	54%	0.538	S	S	.	.	H	α-helix	trans	-63	-45.4	179.7	0	0	0	0	0	112.4	S27 T28 A35	S27-A31 WeakPolarHBondContact O-CB 3.3Å; S27-A31 PolarHBondContact O-N 2.92Å; T28-A31 PolarHBondContact O-N 3.46Å; A31-A35 WeakPolarHBondContact O-CB 3.4Å; A31-A35 PolarHBondContact O-N 3.28Å
32	V	64.4	Low	61.5	Low	104 Å²	104	85.2 Å²	85.2	63%	0.63	53%	0.529	S	S	*	.	H	α-helix	trans	-67.1	-41.1	176.5	175.7	0	0	0	0	111	T28 A35 A36	T28-V32 WeakPolarHBondContact O-CB 3.49Å; T28-V32 VanDerWaalsContact O-CG2 3.3Å; T28-V32 WeakPolarHBondContact O-CG2 2.88Å; T28-V32 PolarHBondContact O-N 2.81Å; V32-A35 PolarHBondContact O-N 3.14Å; V32-A36 WeakPolarHBondContact O-CB 3.41Å; V32-A36 PolarHBondContact O-N 2.72Å
33	G	63.4	Low	62.1	Low	40 Å²	40	83 Å²	83	41%	0.412	51%	0.511	S	S	.	.	H	α-helix	trans	-62.9	-43	176.3	0	0	0	0	0	113	T29 I30 A36 A37	T29-G33 PolarHBondContact O-N 3.35Å; I30-G33 PolarHBondContact O-N 2.56Å; G33-A36 PolarHBondContact O-N 2.97Å; G33-A37 VanDerWaalsContact O-CB 3.32Å; G33-A37 WeakPolarHBondContact O-CB 3.35Å; G33-A37 PolarHBondContact O-N 3.17Å
34	M	62.3	Low	62.4	Low	113 Å²	113	85.4 Å²	85.4	56%	0.557	51%	0.511	S	S	*	.	H	α-helix	trans	-67	-42	175.4	-74.1	-154.2	-66.8	0	0	111.9	I30 A37 L38	I30-M34 HydrophobicContact CG2-CE 4.05Å; I30-M34 HydrophobicContact CG2-CG 4.31Å; I30-M34 WeakPolarHBondContact O-CB 3.33Å; I30-M34 WeakPolarHBondContact O-CG 3.4Å; I30-M34 PolarHBondContact O-N 3.18Å; M34-A37 PolarHBondContact O-N 3.25Å; M34-L38 VanDerWaalsContact O-CB 3.3Å; M34-L38 WeakPolarHBondContact O-CB 3.46Å; M34-L38 WeakPolarHBondContact O-CD1 3.06Å; M34-L38 PolarHBondContact O-N 3.36Å
35	A	62	Low	62.8	Low	53 Å²	53	87.3 Å²	87.3	44%	0.438	51%	0.514	S	S	.	.	H	α-helix	trans	-62.5	-43.3	175.4	0	0	0	0	0	111.8	A31 V32 L38 T39	A31-A35 WeakPolarHBondContact O-CB 3.4Å; A31-A35 PolarHBondContact O-N 3.28Å; V32-A35 PolarHBondContact O-N 3.14Å; A35-L38 PolarHBondContact O-N 3.09Å; A35-T39 WeakPolarHBondContact O-CB 3.39Å; A35-T39 VanDerWaalsContact O-CG2 3.26Å; A35-T39 WeakPolarHBondContact O-CG2 3.28Å; A35-T39 PolarHBondContact O-N 3.43Å; A35-T39 PolarHBondContact O-OG1 2.91Å
36	A	64.9	Low	62.9	Low	60 Å²	60	88.2 Å²	88.2	50%	0.496	51%	0.509	S	S	.	.	H	α-helix	trans	-64.3	-41.1	175.2	0	0	0	0	0	112.3	V32 G33 T39 G40	V32-A36 WeakPolarHBondContact O-CB 3.41Å; V32-A36 PolarHBondContact O-N 2.72Å; G33-A36 PolarHBondContact O-N 2.97Å; A36-T39 WeakPolarHBondContact CA-OG1 3.02Å; A36-T39 PolarHBondContact O-OG1 3.21Å; A36-G40 PolarHBondContact O-N 2.93Å
37	A	65.8	Low	62.9	Low	52 Å²	52	87.4 Å²	87.4	43%	0.43	51%	0.506	S	S	.	.	H	α-helix	trans	-66.6	-44.6	176.1	0	0	0	0	0	112.1	G33 M34 G40 I41	G33-A37 VanDerWaalsContact O-CB 3.32Å; G33-A37 WeakPolarHBondContact O-CB 3.35Å; G33-A37 PolarHBondContact O-N 3.17Å; M34-A37 PolarHBondContact O-N 3.25Å; A37-G40 PolarHBondContact O-N 2.58Å; A37-I41 WeakPolarHBondContact O-CB 3.09Å; A37-I41 WeakPolarHBondContact O-CD1 3.43Å; A37-I41 WeakPolarHBondContact O-CG1 3.47Å; A37-I41 PolarHBondContact O-N 2.9Å
38	L	63	Low	62.7	Low	104 Å²	104	88.4 Å²	88.4	55%	0.545	51%	0.507	S	S	.	.	H	α-helix	trans	-62.9	-45.7	176.7	-86.5	153.7	0	0	0	111.7	M34 A35 G40 I41 L42	M34-L38 VanDerWaalsContact O-CB 3.3Å; M34-L38 WeakPolarHBondContact O-CB 3.46Å; M34-L38 WeakPolarHBondContact O-CD1 3.06Å; M34-L38 PolarHBondContact O-N 3.36Å; A35-L38 PolarHBondContact O-N 3.09Å; L38-G40 VanDerWaalsContact C-N 3.35Å; L38-I41 PolarHBondContact O-N 3.01Å; L38-L42 WeakPolarHBondContact O-CB 3.35Å; L38-L42 VanDerWaalsContact O-CG 3.23Å; L38-L42 WeakPolarHBondContact O-CG 3.27Å; L38-L42 PolarHBondContact O-N 3.11Å
39	T	62.5	Low	62.5	Low	90 Å²	90	91.4 Å²	91.4	55%	0.552	52%	0.516	S	S	*	.	H	α-helix	trans	-63.6	-40.1	175.1	52	0	0	0	0	111.8	A35 A36 L42 A43	A35-T39 WeakPolarHBondContact O-CB 3.39Å; A35-T39 VanDerWaalsContact O-CG2 3.26Å; A35-T39 WeakPolarHBondContact O-CG2 3.28Å; A35-T39 PolarHBondContact O-N 3.43Å; A35-T39 PolarHBondContact O-OG1 2.91Å; A36-T39 WeakPolarHBondContact CA-OG1 3.02Å; A36-T39 PolarHBondContact O-OG1 3.21Å; T39-L42 PolarHBondContact O-N 2.71Å; T39-A43 WeakPolarHBondContact O-CB 3.35Å; T39-A43 PolarHBondContact O-N 3.28Å
40	G	63.7	Low	62.4	Low	41 Å²	41	90.4 Å²	90.4	42%	0.423	50%	0.501	S	S	.	.	H	α-helix	trans	-63.6	-42	174.1	0	0	0	0	0	113.4	A36 A37 L38 R44	A36-G40 PolarHBondContact O-N 2.93Å; A37-G40 PolarHBondContact O-N 2.58Å; L38-G40 VanDerWaalsContact C-N 3.35Å; G40-R44 WeakPolarHBondContact O-CB 3.32Å; G40-R44 PolarHBondContact O-N 2.87Å
41	I	64.1	Low	62.3	Low	109 Å²	109	94.4 Å²	94.4	56%	0.559	51%	0.511	S	S	*	.	H	α-helix	trans	-67.6	-44.8	176.6	-69.2	164.2	0	0	0	110.7	A37 L38 R44 Y45	A37-I41 WeakPolarHBondContact O-CB 3.09Å; A37-I41 WeakPolarHBondContact O-CD1 3.43Å; A37-I41 WeakPolarHBondContact O-CG1 3.47Å; A37-I41 PolarHBondContact O-N 2.9Å; L38-I41 PolarHBondContact O-N 3.01Å; I41-R44 PolarHBondContact O-N 3.21Å; I41-Y45 WeakPolarHBondContact O-CB 3.28Å; I41-Y45 PolarHBondContact O-N 2.99Å
42	L	63.3	Low	62.6	Low	109 Å²	109	98.8 Å²	98.8	57%	0.571	52%	0.521	S	S	*	.	H	α-helix	trans	-66.1	-41.8	177.9	-70.9	171.5	0	0	0	112	L38 T39 R44 Y45 Q46	L38-L42 WeakPolarHBondContact O-CB 3.35Å; L38-L42 VanDerWaalsContact O-CG 3.23Å; L38-L42 WeakPolarHBondContact O-CG 3.27Å; L38-L42 PolarHBondContact O-N 3.11Å; T39-L42 PolarHBondContact O-N 2.71Å; L42-R44 VanDerWaalsContact C-N 3.33Å; L42-Y45 PolarHBondContact O-N 3.4Å; L42-Q46 PolarHBondContact O-N 3.26Å
43	A	61.3	Low	63.4	Low	47 Å²	47	97.6 Å²	97.6	39%	0.388	51%	0.508	S	S	.	.	H	α-helix	trans	-64	-38.9	174.2	0	0	0	0	0	111.6	T39 N47	T39-A43 WeakPolarHBondContact O-CB 3.35Å; T39-A43 PolarHBondContact O-N 3.28Å; A43-N47 WeakPolarHBondContact O-CB 3.47Å; A43-N47 PolarHBondContact O-N 3.16Å
44	R	60.1	Low	64.5	Low	182 Å²	182	96.3 Å²	96.3	69%	0.687	49%	0.491	S	S	*	.	H	α-helix	trans	-66.1	-41.8	173.9	-173.9	175.9	-177.4	175.8	1.1	111.7	G40 I41 L42 N47 I48	G40-R44 WeakPolarHBondContact O-CB 3.32Å; G40-R44 PolarHBondContact O-N 2.87Å; I41-R44 PolarHBondContact O-N 3.21Å; L42-R44 VanDerWaalsContact C-N 3.33Å; R44-N47 PolarHBondContact O-N 2.89Å; R44-I48 HydrophobicContact CG-CD1 3.92Å; R44-I48 WeakPolarHBondContact O-CB 3.38Å; R44-I48 WeakPolarHBondContact O-CG1 3.45Å; R44-I48 PolarHBondContact O-N 3.01Å
45	Y	61.7	Low	65.9	Low	166 Å²	166	92 Å²	92	65%	0.651	47%	0.472	S	S	*	.	H	α-helix	trans	-66.7	-41.6	178.7	-152.4	-92	0	0	0	111.9	I41 L42 I48 F49	I41-Y45 WeakPolarHBondContact O-CB 3.28Å; I41-Y45 PolarHBondContact O-N 2.99Å; L42-Y45 PolarHBondContact O-N 3.4Å; Y45-I48 PolarHBondContact O-N 2.9Å; Y45-F49 WeakPolarHBondContact O-CB 3.17Å; Y45-F49 PolarHBondContact O-N 3.1Å
46	Q	59.6	Low	67.3	Low	117 Å²	117	92 Å²	92	55%	0.547	47%	0.468	S	S	.	.	H	α-helix	trans	-61.4	-46.2	171.9	-79.1	-176.7	-18	0	0	111.6	L42 I48 F49 Y50	L42-Q46 PolarHBondContact O-N 3.26Å; Q46-I48 VanDerWaalsContact C-N 3.32Å; Q46-I48 PolarHBondContact O-N 3.25Å; Q46-F49 PolarHBondContact O-N 2.67Å; Q46-Y50 HydrophobicContact CB-CD2 4.28Å; Q46-Y50 HydrophobicContact CB-CE2 4.03Å; Q46-Y50 WeakPolarHBondContact O-CB 3.25Å; Q46-Y50 WeakPolarHBondContact O-CD2 3.39Å; Q46-Y50 PolarHBondContact O-N 3.14Å
47	N	59.9	Low	68.5	Low	97 Å²	97	93.6 Å²	93.6	52%	0.519	46%	0.461	S	S	.	.	H	α-helix	trans	-63.6	-35.6	176.5	-85.7	-28	0	0	0	113.1	A43 R44 Y51	A43-N47 WeakPolarHBondContact O-CB 3.47Å; A43-N47 PolarHBondContact O-N 3.16Å; R44-N47 PolarHBondContact O-N 2.89Å; N47-Y51 PolarHBondContact O-N 2.83Å; N47-Y51 VanDerWaalsContact O-N 3.14Å
48	I	61.5	Low	69.6	Low	77 Å²	77	95.7 Å²	95.7	40%	0.395	47%	0.471	S	S	.	.	H	α-helix	trans	-65.4	-45.6	172.8	-71.4	166.6	0	0	0	110.2	R44 Y45 Q46 Y50 Y51 F52	R44-I48 HydrophobicContact CG-CD1 3.92Å; R44-I48 WeakPolarHBondContact O-CB 3.38Å; R44-I48 WeakPolarHBondContact O-CG1 3.45Å; R44-I48 PolarHBondContact O-N 3.01Å; Y45-I48 PolarHBondContact O-N 2.9Å; Q46-I48 VanDerWaalsContact C-N 3.32Å; Q46-I48 PolarHBondContact O-N 3.25Å; I48-Y50 VanDerWaalsContact C-N 3.34Å; I48-Y50 PolarHBondContact O-N 2.94Å; I48-Y51 VanDerWaalsContact O-CB 3.32Å; I48-Y51 WeakPolarHBondContact O-CB 3.39Å; I48-Y51 PolarHBondContact O-N 3.32Å; I48-Y51 VanDerWaalsContact O-N 3.13Å; I48-F52 HydrophobicContact CG2-CD2 4.01Å; I48-F52 HydrophobicContact CG2-CE2 3.82Å; I48-F52 WeakPolarHBondContact O-CD2 3.13Å; I48-F52 PolarHBondContact O-N 3.11Å
49	F	60.4	Low	70.9	Confident	113 Å²	113	97.3 Å²	97.3	50%	0.496	48%	0.475	S	S	.	.	H	α-helix	trans	-62.2	-40.4	178.2	-168.3	-92.3	0	0	0	112.3	Y45 Q46 Y51 F52 H53	Y45-F49 WeakPolarHBondContact O-CB 3.17Å; Y45-F49 PolarHBondContact O-N 3.1Å; Q46-F49 PolarHBondContact O-N 2.67Å; F49-Y51 PolarHBondContact O-N 3.24Å; F49-F52 PolarHBondContact O-N 3.33Å; F49-H53 AromaticContact CD1-CD2 3.87Å; F49-H53 AromaticContact CD2-CD2 3.84Å; F49-H53 HydrophobicContact CE1-CB 4.25Å; F49-H53 AromaticContact CE1-CD2 3.46Å; F49-H53 VanDerWaalsContact CE1-CD2 3.46Å; F49-H53 WeakPolarHBondContact CE1-CD2 3.1Å; F49-H53 AromaticContact CE2-CD2 3.43Å; F49-H53 VanDerWaalsContact CE2-CD2 3.43Å; F49-H53 WeakPolarHBondContact CE2-CD2 3.32Å; F49-H53 AromaticContact CE2-NE2 3.63Å; F49-H53 AromaticContact CZ-CD2 3.22Å; F49-H53 WeakPolarHBondContact CZ-CD2 3.49Å; F49-H53 AromaticContact CZ-NE2 3.63Å; F49-H53 PolarHBondContact O-N 3.12Å
50	Y	62.4	Low	72.3	Confident	77 Å²	77	94.8 Å²	94.8	30%	0.302	46%	0.456	S	S	.	.	H	α-helix	trans	-70.8	-16.2	176	-69	-50.8	0	0	0	114.5	Q46 I48 C55 W60	Q46-Y50 HydrophobicContact CB-CD2 4.28Å; Q46-Y50 HydrophobicContact CB-CE2 4.03Å; Q46-Y50 WeakPolarHBondContact O-CB 3.25Å; Q46-Y50 WeakPolarHBondContact O-CD2 3.39Å; Q46-Y50 PolarHBondContact O-N 3.14Å; I48-Y50 VanDerWaalsContact C-N 3.34Å; I48-Y50 PolarHBondContact O-N 2.94Å; Y50-C55 HydrophobicContact CD1-CB 4.07Å; Y50-C55 WeakPolarHBondContact CD1-SG 3.02Å; Y50-C55 HydrophobicContact CE1-CB 4.5Å; Y50-C55 VanDerWaalsContact CE1-SG 3.52Å; Y50-W60 PolarHBondContact O-NE1 3.45Å
51	Y	60.9	Low	73.8	Confident	176 Å²	176	93.6 Å²	93.6	69%	0.69	44%	0.44	S	S	*	.	H	α-helix	trans	-79	-30.1	171.1	-169.3	-95.7	0	0	0	112	N47 I48 F49 W60	N47-Y51 PolarHBondContact O-N 2.83Å; N47-Y51 VanDerWaalsContact O-N 3.14Å; I48-Y51 VanDerWaalsContact O-CB 3.32Å; I48-Y51 WeakPolarHBondContact O-CB 3.39Å; I48-Y51 PolarHBondContact O-N 3.32Å; I48-Y51 VanDerWaalsContact O-N 3.13Å; F49-Y51 PolarHBondContact O-N 3.24Å; Y51-W60 WeakPolarHBondContact O-CZ2 3.16Å
52	F	68.2	Low	75.3	Confident	147 Å²	147	92.2 Å²	92.2	65%	0.645	44%	0.44	S	S	*	.	H	α-helix	trans	-98.4	-10	-179.6	-67.4	-69.5	0	0	0	114	I48 F49	I48-F52 HydrophobicContact CG2-CD2 4.01Å; I48-F52 HydrophobicContact CG2-CE2 3.82Å; I48-F52 WeakPolarHBondContact O-CD2 3.13Å; I48-F52 PolarHBondContact O-N 3.11Å; F49-F52 PolarHBondContact O-N 3.33Å
53	H	80.1	Confident	76.9	Confident	79 Å²	79	89.1 Å²	89.1	37%	0.366	42%	0.422	S	S	.	.	S	Bend	trans	-130.2	128.1	178.5	-71	-63	0	0	0	112.7	F49 C55	F49-H53 AromaticContact CD1-CD2 3.87Å; F49-H53 AromaticContact CD2-CD2 3.84Å; F49-H53 HydrophobicContact CE1-CB 4.25Å; F49-H53 AromaticContact CE1-CD2 3.46Å; F49-H53 VanDerWaalsContact CE1-CD2 3.46Å; F49-H53 WeakPolarHBondContact CE1-CD2 3.1Å; F49-H53 AromaticContact CE2-CD2 3.43Å; F49-H53 VanDerWaalsContact CE2-CD2 3.43Å; F49-H53 WeakPolarHBondContact CE2-CD2 3.32Å; F49-H53 AromaticContact CE2-NE2 3.63Å; F49-H53 AromaticContact CZ-CD2 3.22Å; F49-H53 WeakPolarHBondContact CZ-CD2 3.49Å; F49-H53 AromaticContact CZ-NE2 3.63Å; F49-H53 PolarHBondContact O-N 3.12Å; H53-C55 PolarHBondContact O-N 2.81Å; H53-C55 PolarHBondContact O-SG 3.44Å; H53-C55 VanDerWaalsContact O-SG 3.38Å
54	E	87.8	Confident	78.6	Confident	14 Å²	14	90.5 Å²	90.5	7%	0.065	42%	0.423	C	S	.	.			trans	-55.6	127.6	178.8	-176.6	-177.5	-155.1	0	0	112.7	W60 S133 R134 F135	E54-W60 HydrophobicContact CB-CD2 4Å; E54-W60 HydrophobicContact CB-CE3 3.82Å; E54-W60 HydrophobicContact CB-CZ3 4.1Å; E54-W60 HydrophobicContact CG-CB 4.14Å; E54-W60 HydrophobicContact CG-CD2 3.97Å; E54-W60 HydrophobicContact CG-CE3 3.83Å; E54-W60 HydrophobicContact CG-CG 4.11Å; E54-S133 WeakPolarHBondContact OE1-CA 3.45Å; E54-S133 WeakPolarHBondContact OE1-CB 3.29Å; E54-S133 PolarHBondContact OE1-OG 3.03Å; E54-S133 WeakPolarHBondContact OE2-CA 3.48Å; E54-R134 HydrophobicContact CG-CG 4.26Å; E54-R134 PolarHBondContact O-NE 3.39Å; E54-R134 PolarHBondContact O-NH1 3.04Å; E54-R134 VanDerWaalsContact OE2-CG 3.27Å; E54-R134 WeakPolarHBondContact OE2-CG 3.36Å; E54-R134 PolarHBondContact OE2-N 3.35Å; E54-R134 IonicContact OE2-NE 3.99Å; E54-F135 HydrophobicContact CG-CD2 4.16Å; E54-F135 HydrophobicContact CG-CE2 3.6Å; E54-F135 HydrophobicContact CG-CZ 4.39Å
55	C	90.1	Very high	80.4	Confident	23 Å²	23	85 Å²	85	16%	0.155	41%	0.406	C	S	.	.			trans	-137.2	159.5	-177.5	-75.9	0	0	0	0	112.1	Y50 H53 R57 W60 F135	Y50-C55 HydrophobicContact CD1-CB 4.07Å; Y50-C55 WeakPolarHBondContact CD1-SG 3.02Å; Y50-C55 HydrophobicContact CE1-CB 4.5Å; Y50-C55 VanDerWaalsContact CE1-SG 3.52Å; H53-C55 PolarHBondContact O-N 2.81Å; H53-C55 PolarHBondContact O-SG 3.44Å; H53-C55 VanDerWaalsContact O-SG 3.38Å; C55-R57 HydrophobicContact CB-CG 4.39Å; C55-R57 PolarHBondContact O-N 2.92Å; C55-W60 WeakPolarHBondContact O-CB 3.47Å; C55-F135 VanDerWaalsContact C-CZ 3.44Å
56	C	93	Very high	82.1	Confident	53 Å²	53	81.7 Å²	81.7	36%	0.358	40%	0.403	S	S	.	.	S	Bend	trans	-74.9	69.4	-179.6	-164.9	0	0	0	0	110.7	F135 C169	C56-F135 HydrophobicContact CB-CE1 4.35Å; C56-F135 HydrophobicContact CB-CZ 4.09Å; C56-C169 HydrophobicContact CB-CB 3.53Å; C56-C169 WeakPolarHBondContact CB-SG 3.36Å; C56-C169 WeakPolarHBondContact SG-CA 3.36Å; C56-C169 WeakPolarHBondContact SG-CB 3.33Å; C56-C169 CovalentContact SG-SG 2.04Å; C56-C169 PolarHBondContact SG-SG 3.36Å
57	R	89.8	Confident	84	Confident	92 Å²	92	80.6 Å²	80.6	35%	0.347	39%	0.394	S	S	.	.	S	Bend	trans	-141.6	159.8	-177.6	-60.9	-171.6	175.5	-174.8	0.6	111	C55 E59 W60 I61	C55-R57 HydrophobicContact CB-CG 4.39Å; C55-R57 PolarHBondContact O-N 2.92Å; R57-E59 WeakPolarHBondContact CB-OE2 3.24Å; R57-E59 PolarHBondContact O-N 2.76Å; R57-E59 VanDerWaalsContact O-N 3.12Å; R57-W60 PolarHBondContact O-N 3.41Å; R57-W60 VanDerWaalsContact O-N 3.07Å; R57-I61 PolarHBondContact O-N 3Å
58	P	89	Confident	85.8	Confident	97 Å²	97	76 Å²	76	63%	0.63	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-23.7	-177.5	-25.6	36.3	0	0	0	115	W60 S62	P58-W60 VanDerWaalsContact C-N 3.25Å; P58-W60 PolarHBondContact O-N 3.3Å; P58-S62 WeakPolarHBondContact O-CB 3.42Å
59	E	89.1	Confident	87.6	Confident	137 Å²	137	77.4 Å²	77.4	64%	0.64	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-31	177.4	-59.4	82.1	179.5	0	0	112.3	R57	R57-E59 WeakPolarHBondContact CB-OE2 3.24Å; R57-E59 PolarHBondContact O-N 2.76Å; R57-E59 VanDerWaalsContact O-N 3.12Å
60	W	92.6	Very high	89.4	Confident	38 Å²	38	74.9 Å²	74.9	14%	0.144	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-26.5	-179	-64.3	96.9	0	0	0	112.9	Y50 Y51 E54 C55 R57 P58 Y127 A128 E129	Y50-W60 PolarHBondContact O-NE1 3.45Å; Y51-W60 WeakPolarHBondContact O-CZ2 3.16Å; E54-W60 HydrophobicContact CB-CD2 4Å; E54-W60 HydrophobicContact CB-CE3 3.82Å; E54-W60 HydrophobicContact CB-CZ3 4.1Å; E54-W60 HydrophobicContact CG-CB 4.14Å; E54-W60 HydrophobicContact CG-CD2 3.97Å; E54-W60 HydrophobicContact CG-CE3 3.83Å; E54-W60 HydrophobicContact CG-CG 4.11Å; C55-W60 WeakPolarHBondContact O-CB 3.47Å; R57-W60 PolarHBondContact O-N 3.41Å; R57-W60 VanDerWaalsContact O-N 3.07Å; P58-W60 VanDerWaalsContact C-N 3.25Å; P58-W60 PolarHBondContact O-N 3.3Å; W60-Y127 WeakPolarHBondContact O-CA 3.36Å; W60-A128 HydrophobicContact CE3-CB 4.17Å; W60-A128 PolarHBondContact O-N 2.94Å; W60-E129 HydrophobicContact CE3-CG 4.39Å; W60-E129 HydrophobicContact CZ3-CG 4.14Å
61	I	95.5	Very high	91.1	Very high	15 Å²	15	72 Å²	72	8%	0.077	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-123	89.7	-178.6	-47	-178.6	0	0	0	108.8	R57 V126 Y127 F135 C169 R171	R57-I61 PolarHBondContact O-N 3Å; I61-V126 CarbonylContact C-O 3.57Å; I61-V126 WeakPolarHBondContact CA-O 3.28Å; I61-V126 HydrophobicContact CG2-CG1 4.02Å; I61-Y127 HydrophobicContact CD1-CD1 4.32Å; I61-Y127 HydrophobicContact CD1-CE1 4.11Å; I61-Y127 HydrophobicContact CG1-CD1 3.95Å; I61-Y127 HydrophobicContact CG1-CE1 4.2Å; I61-Y127 HydrophobicContact CG2-CD1 4.15Å; I61-Y127 HydrophobicContact CG2-CE1 4.01Å; I61-F135 HydrophobicContact CD1-CD2 3.66Å; I61-F135 HydrophobicContact CD1-CE2 3.91Å; I61-F135 HydrophobicContact CD1-CG 4.23Å; I61-F135 HydrophobicContact CG1-CD2 4.12Å; I61-F135 HydrophobicContact CG1-CE2 4.33Å; I61-C169 WeakPolarHBondContact CD1-SG 3.4Å; I61-R171 HydrophobicContact CD1-CB 4.3Å; I61-R171 HydrophobicContact CG2-CB 4.29Å
62	S	94.8	Very high	92.9	Very high	80 Å²	80	63.7 Å²	63.7	56%	0.559	32%	0.324	S	S	*	.			trans	-135	117.5	179.6	-174.5	0	0	0	0	110	P58 N64 V126	P58-S62 WeakPolarHBondContact O-CB 3.42Å; S62-N64 PolarHBondContact O-N 3.45Å; S62-V126 CarbonylContact C-O 3.57Å; S62-V126 PolarHBondContact N-O 3.42Å
63	F	97.3	Very high	94.3	Very high	44 Å²	44	61.3 Å²	61.3	19%	0.193	32%	0.318	C	S	.	.			trans	-73.7	116.7	-179.3	176.8	-125.7	0	0	0	111.5	I65 L68 V90 N91 M94 S125 V126	F63-I65 HydrophobicContact CD1-CB 4.4Å; F63-I65 HydrophobicContact CE1-CB 3.66Å; F63-I65 HydrophobicContact CE1-CG1 4.06Å; F63-I65 HydrophobicContact CZ-CB 3.85Å; F63-I65 HydrophobicContact CZ-CG1 4.05Å; F63-L68 HydrophobicContact CE2-CB 4.26Å; F63-L68 HydrophobicContact CE2-CD2 3.83Å; F63-L68 HydrophobicContact CZ-CD2 4.01Å; F63-V90 HydrophobicContact CD2-CG1 4.4Å; F63-V90 HydrophobicContact CE2-CG1 3.75Å; F63-V90 HydrophobicContact CZ-CG1 4.01Å; F63-N91 HydrophobicContact CE1-CB 4.15Å; F63-N91 HydrophobicContact CZ-CB 4.35Å; F63-M94 HydrophobicContact CB-CB 3.98Å; F63-M94 HydrophobicContact CB-CE 3.77Å; F63-M94 HydrophobicContact CB-CG 4.18Å; F63-M94 HydrophobicContact CD1-CB 3.46Å; F63-M94 VanDerWaalsContact CD1-CB 3.46Å; F63-M94 HydrophobicContact CD1-CG 4.09Å; F63-M94 HydrophobicContact CD2-CB 4.48Å; F63-M94 HydrophobicContact CD2-CG 4.22Å; F63-M94 HydrophobicContact CE1-CB 4.04Å; F63-M94 HydrophobicContact CG-CB 3.71Å; F63-M94 HydrophobicContact CG-CE 4.46Å; F63-M94 HydrophobicContact CG-CG 3.89Å; F63-S125 CarbonylContact C-O 3.52Å; F63-S125 WeakPolarHBondContact CA-O 3.25Å; F63-V126 HydrophobicContact CD2-CG2 3.92Å
64	N	97.8	Very high	95	Very high	77 Å²	77	62.8 Å²	62.8	41%	0.412	33%	0.328	S	S	.	.			trans	-101.2	91.4	173.6	-171.1	-24.1	0	0	0	110.5	S62 T66 R67 L68 S125	S62-N64 PolarHBondContact O-N 3.45Å; N64-T66 VanDerWaalsContact C-N 3.28Å; N64-T66 PolarHBondContact O-N 3.45Å; N64-T66 PolarHBondContact OD1-N 3.27Å; N64-R67 HydrophobicContact CB-CB 3.91Å; N64-R67 VanDerWaalsContact CG-CB 3.49Å; N64-R67 PolarHBondContact O-N 3.41Å; N64-R67 PolarHBondContact OD1-N 3.42Å; N64-L68 PolarHBondContact O-N 3.48Å; N64-S125 PolarHBondContact N-O 2.81Å
65	I	97.4	Very high	95.5	Very high	67 Å²	67	66 Å²	66	34%	0.344	34%	0.343	S	S	.	.	H	α-helix	trans	-58.8	-38.9	177.9	-168.3	-173.9	0	0	0	112.5	F63 R67 L68 K69 L87 N91	F63-I65 HydrophobicContact CD1-CB 4.4Å; F63-I65 HydrophobicContact CE1-CB 3.66Å; F63-I65 HydrophobicContact CE1-CG1 4.06Å; F63-I65 HydrophobicContact CZ-CB 3.85Å; F63-I65 HydrophobicContact CZ-CG1 4.05Å; I65-R67 VanDerWaalsContact C-N 3.35Å; I65-R67 PolarHBondContact O-N 3.23Å; I65-L68 PolarHBondContact O-N 2.99Å; I65-K69 WeakPolarHBondContact O-CB 3.5Å; I65-K69 PolarHBondContact O-N 3.35Å; I65-L87 HydrophobicContact CG1-CD1 4.21Å; I65-N91 HydrophobicContact CD1-CB 4.05Å; I65-N91 VanDerWaalsContact CD1-OD1 3.27Å; I65-N91 WeakPolarHBondContact CD1-OD1 3.44Å; I65-N91 HydrophobicContact CG1-CB 4.38Å
66	T	98	Very high	95.9	Very high	95 Å²	95	65.5 Å²	65.5	58%	0.583	34%	0.338	S	S	*	.	H	α-helix	trans	-65.6	-41.2	-178.3	-55.5	0	0	0	0	110.7	N64 T70	N64-T66 VanDerWaalsContact C-N 3.28Å; N64-T66 PolarHBondContact O-N 3.45Å; N64-T66 PolarHBondContact OD1-N 3.27Å; T66-T70 VanDerWaalsContact O-CB 3.27Å; T66-T70 WeakPolarHBondContact O-CB 3.24Å; T66-T70 PolarHBondContact O-N 3.39Å; T66-T70 PolarHBondContact O-OG1 2.98Å
67	R	98	Very high	96.1	Very high	94 Å²	94	65 Å²	65	36%	0.355	33%	0.33	S	S	.	.	H	α-helix	trans	-60.5	-52.6	172.2	179.9	177.9	-179.4	169.3	8.6	110.4	N64 I65 K69 T70 D71 E124	N64-R67 HydrophobicContact CB-CB 3.91Å; N64-R67 VanDerWaalsContact CG-CB 3.49Å; N64-R67 PolarHBondContact O-N 3.41Å; N64-R67 PolarHBondContact OD1-N 3.42Å; I65-R67 VanDerWaalsContact C-N 3.35Å; I65-R67 PolarHBondContact O-N 3.23Å; R67-K69 VanDerWaalsContact C-N 3.33Å; R67-K69 PolarHBondContact O-N 3.49Å; R67-T70 PolarHBondContact O-N 3.19Å; R67-D71 WeakPolarHBondContact CG-OD2 3.38Å; R67-D71 IonicContact NE-OD2 2.63Å; R67-D71 WeakPolarHBondContact O-CB 3.31Å; R67-D71 PolarHBondContact O-N 3.25Å; R67-E124 IonicContact CZ-OE2 2.93Å; R67-E124 PolarHBondContact NE-O 2.92Å; R67-E124 PolarHBondContact NH1-O 2.62Å; R67-E124 IonicContact NH2-OE2 2.66Å; R67-E124 PolarHBondContact NH2-OE2 3.42Å
68	L	98.6	Very high	96.5	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-56.9	-47.1	-178.7	-177.7	59.8	0	0	0	111.8	F63 N64 I65 D71 L72 L87 V90 I122	F63-L68 HydrophobicContact CE2-CB 4.26Å; F63-L68 HydrophobicContact CE2-CD2 3.83Å; F63-L68 HydrophobicContact CZ-CD2 4.01Å; N64-L68 PolarHBondContact O-N 3.48Å; I65-L68 PolarHBondContact O-N 2.99Å; L68-D71 PolarHBondContact O-N 3.19Å; L68-L72 HydrophobicContact CD1-CD1 3.94Å; L68-L72 HydrophobicContact CD1-CG 4.07Å; L68-L72 HydrophobicContact CG-CD1 3.87Å; L68-L72 HydrophobicContact CG-CG 4.41Å; L68-L72 WeakPolarHBondContact O-CB 3.44Å; L68-L72 VanDerWaalsContact O-CG 3.22Å; L68-L72 WeakPolarHBondContact O-CG 3.37Å; L68-L72 PolarHBondContact O-N 3.31Å; L68-L87 HydrophobicContact CD2-CD1 4.38Å; L68-L87 HydrophobicContact CG-CD1 4.4Å; L68-V90 HydrophobicContact CD2-CB 3.97Å; L68-V90 HydrophobicContact CD2-CG1 3.92Å; L68-I122 HydrophobicContact CD1-CG1 4.3Å
69	K	98.4	Very high	97	Very high	108 Å²	108	56.7 Å²	56.7	47%	0.47	29%	0.29	S	S	.	.	H	α-helix	trans	-59.9	-51.4	177.5	-177.7	179.9	177.1	-168.9	0	111.4	I65 R67 D71 L72 D73 L87	I65-K69 WeakPolarHBondContact O-CB 3.5Å; I65-K69 PolarHBondContact O-N 3.35Å; R67-K69 VanDerWaalsContact C-N 3.33Å; R67-K69 PolarHBondContact O-N 3.49Å; K69-D71 VanDerWaalsContact C-N 3.3Å; K69-D71 PolarHBondContact O-N 3Å; K69-L72 PolarHBondContact O-N 3.11Å; K69-D73 WeakPolarHBondContact CG-OD2 3.46Å; K69-D73 WeakPolarHBondContact O-CB 3.38Å; K69-D73 VanDerWaalsContact O-CG 3.23Å; K69-D73 PolarHBondContact O-N 3.11Å; K69-L87 HydrophobicContact CB-CD1 3.92Å; K69-L87 HydrophobicContact CB-CD2 4.17Å; K69-L87 HydrophobicContact CD-CD2 4.29Å; K69-L87 HydrophobicContact CG-CD2 3.92Å
70	T	98.4	Very high	97.4	Very high	60 Å²	60	52.6 Å²	52.6	37%	0.368	27%	0.271	S	S	.	.	H	α-helix	trans	-61.2	-40.3	-178.5	-57.1	0	0	0	0	111.7	T66 R67 N74	T66-T70 VanDerWaalsContact O-CB 3.27Å; T66-T70 WeakPolarHBondContact O-CB 3.24Å; T66-T70 PolarHBondContact O-N 3.39Å; T66-T70 PolarHBondContact O-OG1 2.98Å; R67-T70 PolarHBondContact O-N 3.19Å; T70-N74 VanDerWaalsContact CG2-ND2 3.29Å; T70-N74 WeakPolarHBondContact CG2-ND2 3.18Å; T70-N74 VanDerWaalsContact O-CB 3.26Å; T70-N74 WeakPolarHBondContact O-CB 3.44Å; T70-N74 PolarHBondContact O-N 3.13Å; T70-N74 PolarHBondContact O-ND2 3.39Å
71	D	98.1	Very high	97.6	Very high	15 Å²	15	50.8 Å²	50.8	8%	0.08	26%	0.264	C	S	.	.	H	α-helix	trans	-69.8	-41.9	178.7	-76	-22.2	0	0	0	111.7	R67 L68 K69 K75 L121	R67-D71 WeakPolarHBondContact CG-OD2 3.38Å; R67-D71 IonicContact NE-OD2 2.63Å; R67-D71 WeakPolarHBondContact O-CB 3.31Å; R67-D71 PolarHBondContact O-N 3.25Å; L68-D71 PolarHBondContact O-N 3.19Å; K69-D71 VanDerWaalsContact C-N 3.3Å; K69-D71 PolarHBondContact O-N 3Å; D71-K75 HydrophobicContact CB-CD 4.1Å; D71-K75 VanDerWaalsContact CG-NZ 3.32Å; D71-K75 WeakPolarHBondContact O-CA 3Å; D71-K75 WeakPolarHBondContact O-CB 3.38Å; D71-K75 PolarHBondContact O-N 2.84Å; D71-K75 WeakPolarHBondContact OD1-CE 3.36Å; D71-K75 IonicContact OD1-NZ 2.83Å; D71-K75 PolarHBondContact OD1-NZ 3.03Å; D71-K75 IonicContact OD2-NZ 3.75Å; D71-L121 HydrophobicContact CB-CD1 4.15Å; D71-L121 HydrophobicContact CB-CD2 4Å; D71-L121 HydrophobicContact CB-CG 4.47Å
72	L	98.4	Very high	97.7	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.01	26%	0.26	C	S	.	.	H	α-helix	trans	-63.6	-42	174.2	-71.3	171.2	0	0	0	112	L68 K69 L76 I86 L87 V118 L121	L68-L72 HydrophobicContact CD1-CD1 3.94Å; L68-L72 HydrophobicContact CD1-CG 4.07Å; L68-L72 HydrophobicContact CG-CD1 3.87Å; L68-L72 HydrophobicContact CG-CG 4.41Å; L68-L72 WeakPolarHBondContact O-CB 3.44Å; L68-L72 VanDerWaalsContact O-CG 3.22Å; L68-L72 WeakPolarHBondContact O-CG 3.37Å; L68-L72 PolarHBondContact O-N 3.31Å; K69-L72 PolarHBondContact O-N 3.11Å; L72-L76 HydrophobicContact CD2-CD2 3.98Å; L72-L76 WeakPolarHBondContact O-CB 3.47Å; L72-L76 PolarHBondContact O-N 3.2Å; L72-I86 HydrophobicContact CD1-CB 4.49Å; L72-I86 HydrophobicContact CD1-CG2 4.21Å; L72-L87 HydrophobicContact CD1-CB 3.98Å; L72-V118 HydrophobicContact CD2-CG1 4.1Å; L72-V118 HydrophobicContact CD2-CG2 4.49Å; L72-L121 HydrophobicContact CD2-CD1 4.26Å
73	D	97.3	Very high	97.9	Very high	98 Å²	98	47 Å²	47	52%	0.524	24%	0.239	S	C	.	.	H	α-helix	trans	-70.6	-38.7	-178.1	-69.7	-16.9	0	0	0	111.9	K69	K69-D73 WeakPolarHBondContact CG-OD2 3.46Å; K69-D73 WeakPolarHBondContact O-CB 3.38Å; K69-D73 VanDerWaalsContact O-CG 3.23Å; K69-D73 PolarHBondContact O-N 3.11Å
74	N	96.5	Very high	97.9	Very high	109 Å²	109	50.5 Å²	50.5	58%	0.583	25%	0.251	S	S	*	.	H	α-helix	trans	-101.3	-18.6	-171.5	-63.9	-44.6	0	0	0	114.9	T70 F77	T70-N74 VanDerWaalsContact CG2-ND2 3.29Å; T70-N74 WeakPolarHBondContact CG2-ND2 3.18Å; T70-N74 VanDerWaalsContact O-CB 3.26Å; T70-N74 WeakPolarHBondContact O-CB 3.44Å; T70-N74 PolarHBondContact O-N 3.13Å; T70-N74 PolarHBondContact O-ND2 3.39Å; N74-F77 WeakPolarHBondContact O-CE1 3.46Å
75	K	97.6	Very high	97.9	Very high	83 Å²	83	47.8 Å²	47.8	36%	0.361	24%	0.236	S	C	.	.	H	α-helix	trans	-115.7	-24	-175.3	-52.3	174	172.8	165.6	0	113.5	D71 F77 F117 L121	D71-K75 HydrophobicContact CB-CD 4.1Å; D71-K75 VanDerWaalsContact CG-NZ 3.32Å; D71-K75 WeakPolarHBondContact O-CA 3Å; D71-K75 WeakPolarHBondContact O-CB 3.38Å; D71-K75 PolarHBondContact O-N 2.84Å; D71-K75 WeakPolarHBondContact OD1-CE 3.36Å; D71-K75 IonicContact OD1-NZ 2.83Å; D71-K75 PolarHBondContact OD1-NZ 3.03Å; D71-K75 IonicContact OD2-NZ 3.75Å; K75-F77 PolarHBondContact O-N 3.35Å; K75-F117 HydrophobicContact CB-CE1 3.77Å; K75-F117 HydrophobicContact CB-CZ 3.77Å; K75-F117 HydrophobicContact CD-CZ 4.27Å; K75-F117 WeakPolarHBondContact O-CE1 3.23Å; K75-L121 HydrophobicContact CD-CD2 4.06Å
76	L	98.2	Very high	98	Very high	11 Å²	11	44.6 Å²	44.6	6%	0.058	22%	0.22	C	C	.	.	S	Bend	trans	-97.6	89.9	-177.9	-170.8	67.6	0	0	0	111.9	L72 Q79 S83 F117 V118 F276	L72-L76 HydrophobicContact CD2-CD2 3.98Å; L72-L76 WeakPolarHBondContact O-CB 3.47Å; L72-L76 PolarHBondContact O-N 3.2Å; L76-Q79 HydrophobicContact CD1-CB 4.43Å; L76-Q79 HydrophobicContact CD1-CG 4.06Å; L76-Q79 HydrophobicContact CD2-CB 3.71Å; L76-Q79 HydrophobicContact CD2-CG 4.23Å; L76-Q79 HydrophobicContact CG-CB 3.8Å; L76-Q79 HydrophobicContact CG-CG 3.94Å; L76-S83 WeakPolarHBondContact CD2-OG 3.43Å; L76-F117 HydrophobicContact CD1-CD1 4.24Å; L76-V118 HydrophobicContact CD1-CG2 3.48Å; L76-V118 VanDerWaalsContact CD1-CG2 3.48Å; L76-V118 HydrophobicContact CD2-CG2 3.39Å; L76-V118 HydrophobicContact CG-CG2 4.02Å; L76-F276 HydrophobicContact CD1-CE1 4.38Å
77	F	98.1	Very high	98	Very high	42 Å²	42	41.9 Å²	41.9	18%	0.184	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	133.5	-175	-51.7	-53.7	0	0	0	113.4	N74 K75 Q79 H283 Q286 A290	N74-F77 WeakPolarHBondContact O-CE1 3.46Å; K75-F77 PolarHBondContact O-N 3.35Å; F77-Q79 VanDerWaalsContact C-N 3.3Å; F77-Q79 PolarHBondContact O-N 2.87Å; F77-H283 HydrophobicContact CB-CB 4.3Å; F77-Q286 HydrophobicContact CB-CB 4.43Å; F77-Q286 HydrophobicContact CD1-CB 3.96Å; F77-Q286 HydrophobicContact CD1-CG 4.42Å; F77-Q286 HydrophobicContact CD2-CB 3.67Å; F77-Q286 HydrophobicContact CE1-CB 4.13Å; F77-Q286 HydrophobicContact CE2-CB 3.85Å; F77-Q286 HydrophobicContact CG-CB 3.74Å; F77-Q286 HydrophobicContact CZ-CB 4.08Å; F77-A290 HydrophobicContact CE2-CB 3.96Å; F77-A290 HydrophobicContact CZ-CB 4.18Å
78	G	97.7	Very high	98	Very high	13 Å²	13	44.5 Å²	44.5	13%	0.134	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	17.5	170.6	0	0	0	0	0	115.7	R235 H283	G78-R235 PolarHBondContact O-NE 3.16Å; G78-R235 PolarHBondContact O-NH2 2.98Å; G78-H283 WeakPolarHBondContact CA-CD2 3.38Å; G78-H283 WeakPolarHBondContact CA-NE2 3.24Å; G78-H283 PolarHBondContact N-CD2 3.36Å
79	Q	98.4	Very high	98	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.009	22%	0.218	C	C	.	.			trans	-122.2	51.3	-177.8	-52.8	-59.6	-23.7	0	0	112.6	L76 F77 I81 A82 S83 T113 F276 L277	L76-Q79 HydrophobicContact CD1-CB 4.43Å; L76-Q79 HydrophobicContact CD1-CG 4.06Å; L76-Q79 HydrophobicContact CD2-CB 3.71Å; L76-Q79 HydrophobicContact CD2-CG 4.23Å; L76-Q79 HydrophobicContact CG-CB 3.8Å; L76-Q79 HydrophobicContact CG-CG 3.94Å; F77-Q79 VanDerWaalsContact C-N 3.3Å; F77-Q79 PolarHBondContact O-N 2.87Å; Q79-I81 VanDerWaalsContact C-N 3.27Å; Q79-I81 PolarHBondContact O-N 3.43Å; Q79-A82 HydrophobicContact CB-CB 3.97Å; Q79-A82 PolarHBondContact O-N 3.02Å; Q79-A82 VanDerWaalsContact O-N 3.14Å; Q79-S83 PolarHBondContact O-N 3.46Å; Q79-S83 PolarHBondContact O-OG 3.15Å; Q79-T113 PolarHBondContact NE2-O 3.37Å; Q79-F276 HydrophobicContact CG-CD1 4.02Å; Q79-F276 HydrophobicContact CG-CE1 4.37Å; Q79-F276 VanDerWaalsContact OE1-CA 3.28Å; Q79-L277 PolarHBondContact NE2-O 3.42Å
80	H	98.1	Very high	98	Very high	51 Å²	51	39.7 Å²	39.7	24%	0.236	20%	0.195	C	C	.	.	H	α-helix	trans	-56.5	-37.7	-176.6	63.3	-62.9	0	0	0	113.5	R84 R235 E236 I238	H80-R84 WeakPolarHBondContact O-CB 3.39Å; H80-R84 PolarHBondContact O-N 3.13Å; H80-R235 PolarHBondContact CE1-O 3.08Å; H80-R235 VanDerWaalsContact CE1-O 3.23Å; H80-R235 PolarHBondContact NE2-O 3.36Å; H80-E236 PolarHBondContact NE2-O 3.38Å; H80-I238 PolarHBondContact NE2-O 3.38Å
81	I	97.6	Very high	98	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-66.4	-50	177.1	-55.6	173.1	0	0	0	110.4	Q79 R84 I85 I238 L240 L243 P275 L277	Q79-I81 VanDerWaalsContact C-N 3.27Å; Q79-I81 PolarHBondContact O-N 3.43Å; I81-R84 PolarHBondContact O-N 2.94Å; I81-I85 HydrophobicContact CG2-CD1 3.7Å; I81-I85 HydrophobicContact CG2-CG1 4.49Å; I81-I85 WeakPolarHBondContact O-CG1 3.47Å; I81-I85 PolarHBondContact O-N 2.87Å; I81-I238 HydrophobicContact CD1-CB 4.4Å; I81-I238 HydrophobicContact CD1-CG2 3.92Å; I81-I238 WeakPolarHBondContact CD1-O 3.46Å; I81-L240 HydrophobicContact CG2-CB 4.34Å; I81-L240 HydrophobicContact CG2-CD1 4.24Å; I81-L243 HydrophobicContact CD1-CD1 3.53Å; I81-P275 HydrophobicContact CG2-CG 3.85Å; I81-L277 HydrophobicContact CD1-CD1 4.4Å
82	A	97.9	Very high	98	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62.4	-48.1	-178.5	0	0	0	0	0	111.4	Q79 R84 I85 I86 V274 F276	Q79-A82 HydrophobicContact CB-CB 3.97Å; Q79-A82 PolarHBondContact O-N 3.02Å; Q79-A82 VanDerWaalsContact O-N 3.14Å; A82-R84 VanDerWaalsContact C-N 3.3Å; A82-R84 PolarHBondContact O-N 3.07Å; A82-I85 PolarHBondContact O-N 3.27Å; A82-I86 HydrophobicContact CB-CD1 4.16Å; A82-I86 WeakPolarHBondContact O-CB 3.35Å; A82-I86 VanDerWaalsContact O-CD1 3.3Å; A82-I86 WeakPolarHBondContact O-CD1 3.37Å; A82-I86 WeakPolarHBondContact O-CG1 3.48Å; A82-I86 PolarHBondContact O-N 3.07Å; A82-V274 HydrophobicContact CB-CG1 3.74Å; A82-F276 HydrophobicContact CB-CD2 4.4Å; A82-F276 HydrophobicContact CB-CE1 4.35Å; A82-F276 HydrophobicContact CB-CE2 4.01Å; A82-F276 HydrophobicContact CB-CZ 4Å
83	S	98.1	Very high	98	Very high	15 Å²	15	41.5 Å²	41.5	11%	0.105	21%	0.212	C	C	.	.	H	α-helix	trans	-53.7	-47.4	177.2	-64	0	0	0	0	111.6	L76 Q79 L87	L76-S83 WeakPolarHBondContact CD2-OG 3.43Å; Q79-S83 PolarHBondContact O-N 3.46Å; Q79-S83 PolarHBondContact O-OG 3.15Å; S83-L87 VanDerWaalsContact O-CB 3.27Å; S83-L87 WeakPolarHBondContact O-CB 3.48Å; S83-L87 PolarHBondContact O-N 3.3Å
84	R	97.9	Very high	98	Very high	118 Å²	118	38 Å²	38	45%	0.445	19%	0.192	S	C	.	.	H	α-helix	trans	-65.7	-43	-178.8	-175.5	171.8	66.3	-173.6	-0.5	112.7	H80 I81 A82 K88	H80-R84 WeakPolarHBondContact O-CB 3.39Å; H80-R84 PolarHBondContact O-N 3.13Å; I81-R84 PolarHBondContact O-N 2.94Å; A82-R84 VanDerWaalsContact C-N 3.3Å; A82-R84 PolarHBondContact O-N 3.07Å; R84-K88 WeakPolarHBondContact O-CG 3.21Å; R84-K88 PolarHBondContact O-N 3.38Å
85	I	97.8	Very high	98	Very high	20 Å²	20	36.6 Å²	36.6	10%	0.103	19%	0.191	C	C	.	.	H	α-helix	trans	-67.4	-49.1	-179.8	-65.7	167.7	0	0	0	110	I81 A82 L87 K88 A89 L240 F272 V274	I81-I85 HydrophobicContact CG2-CD1 3.7Å; I81-I85 HydrophobicContact CG2-CG1 4.49Å; I81-I85 WeakPolarHBondContact O-CG1 3.47Å; I81-I85 PolarHBondContact O-N 2.87Å; A82-I85 PolarHBondContact O-N 3.27Å; I85-L87 PolarHBondContact O-N 3Å; I85-K88 PolarHBondContact O-N 3.18Å; I85-A89 VanDerWaalsContact O-CB 3.24Å; I85-A89 WeakPolarHBondContact O-CB 3.35Å; I85-A89 PolarHBondContact O-N 3.46Å; I85-L240 HydrophobicContact CD1-CD1 3.95Å; I85-L240 HydrophobicContact CD1-CD2 3.94Å; I85-L240 HydrophobicContact CD1-CG 4.46Å; I85-F272 HydrophobicContact CG2-CB 4Å; I85-F272 HydrophobicContact CG2-CD1 4.2Å; I85-F272 HydrophobicContact CG2-CG 4.22Å; I85-V274 HydrophobicContact CG2-CG2 3.89Å
86	I	98.6	Very high	97.9	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63.5	-46.6	-175.4	-68.1	161.2	0	0	0	110.8	L72 A82 K88 A89 V90 V118 I122 V274 F276	L72-I86 HydrophobicContact CD1-CB 4.49Å; L72-I86 HydrophobicContact CD1-CG2 4.21Å; A82-I86 HydrophobicContact CB-CD1 4.16Å; A82-I86 WeakPolarHBondContact O-CB 3.35Å; A82-I86 VanDerWaalsContact O-CD1 3.3Å; A82-I86 WeakPolarHBondContact O-CD1 3.37Å; A82-I86 WeakPolarHBondContact O-CG1 3.48Å; A82-I86 PolarHBondContact O-N 3.07Å; I86-K88 VanDerWaalsContact C-N 3.33Å; I86-K88 PolarHBondContact O-N 3.17Å; I86-A89 PolarHBondContact O-N 2.97Å; I86-V90 HydrophobicContact CG2-CG2 4.11Å; I86-V90 WeakPolarHBondContact O-CB 3.24Å; I86-V90 VanDerWaalsContact O-CG2 3.32Å; I86-V90 WeakPolarHBondContact O-CG2 3.25Å; I86-V90 PolarHBondContact O-N 3.26Å; I86-V118 HydrophobicContact CD1-CB 4.32Å; I86-V118 HydrophobicContact CD1-CG1 3.36Å; I86-V118 HydrophobicContact CG1-CG1 4.41Å; I86-V118 HydrophobicContact CG2-CG1 4.1Å; I86-I122 HydrophobicContact CG2-CD1 3.73Å; I86-I122 HydrophobicContact CG2-CG1 3.88Å; I86-V274 HydrophobicContact CD1-CG1 3.88Å; I86-V274 HydrophobicContact CG1-CG1 3.99Å; I86-F276 HydrophobicContact CD1-CZ 4.41Å
87	L	98.6	Very high	97.7	Very high	38 Å²	38	39.4 Å²	39.4	20%	0.199	22%	0.215	C	C	.	.	H	α-helix	trans	-58	-46	177.8	-179.4	61.4	0	0	0	111.5	I65 L68 K69 L72 S83 I85 N91	I65-L87 HydrophobicContact CG1-CD1 4.21Å; L68-L87 HydrophobicContact CD2-CD1 4.38Å; L68-L87 HydrophobicContact CG-CD1 4.4Å; K69-L87 HydrophobicContact CB-CD1 3.92Å; K69-L87 HydrophobicContact CB-CD2 4.17Å; K69-L87 HydrophobicContact CD-CD2 4.29Å; K69-L87 HydrophobicContact CG-CD2 3.92Å; L72-L87 HydrophobicContact CD1-CB 3.98Å; S83-L87 VanDerWaalsContact O-CB 3.27Å; S83-L87 WeakPolarHBondContact O-CB 3.48Å; S83-L87 PolarHBondContact O-N 3.3Å; I85-L87 PolarHBondContact O-N 3Å; L87-N91 WeakPolarHBondContact O-CB 3.45Å; L87-N91 PolarHBondContact O-N 2.87Å; L87-N91 VanDerWaalsContact O-N 3.13Å
88	K	98.3	Very high	97.6	Very high	149 Å²	149	43.5 Å²	43.5	65%	0.648	24%	0.238	S	C	*	.	H	α-helix	trans	-68.1	-46	179.5	-73.6	-177	177.8	-173.5	0	112.3	R84 I85 I86 G92	R84-K88 WeakPolarHBondContact O-CG 3.21Å; R84-K88 PolarHBondContact O-N 3.38Å; I85-K88 PolarHBondContact O-N 3.18Å; I86-K88 VanDerWaalsContact C-N 3.33Å; I86-K88 PolarHBondContact O-N 3.17Å; K88-G92 PolarHBondContact O-N 3.28Å
89	A	98.2	Very high	97.5	Very high	6 Å²	6	43.3 Å²	43.3	5%	0.05	24%	0.235	C	C	.	.	H	α-helix	trans	-65.8	-50.7	-176.3	0	0	0	0	0	111.7	I85 I86 G92 F93 L103 L105 F272	I85-A89 VanDerWaalsContact O-CB 3.24Å; I85-A89 WeakPolarHBondContact O-CB 3.35Å; I85-A89 PolarHBondContact O-N 3.46Å; I86-A89 PolarHBondContact O-N 2.97Å; A89-G92 PolarHBondContact O-N 3.11Å; A89-F93 WeakPolarHBondContact O-CB 3.45Å; A89-F93 PolarHBondContact O-N 3.48Å; A89-L103 HydrophobicContact CB-CD1 4.45Å; A89-L105 HydrophobicContact CB-CD2 4Å; A89-F272 HydrophobicContact CB-CD2 3.53Å; A89-F272 HydrophobicContact CB-CE2 3.51Å; A89-F272 HydrophobicContact CB-CG 4.17Å; A89-F272 HydrophobicContact CB-CZ 4.13Å
90	V	98.5	Very high	97.4	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-65.8	-44	-179.9	178.5	0	0	0	0	110.4	F63 L68 I86 F93 M94 L103 L105 I122	F63-V90 HydrophobicContact CD2-CG1 4.4Å; F63-V90 HydrophobicContact CE2-CG1 3.75Å; F63-V90 HydrophobicContact CZ-CG1 4.01Å; L68-V90 HydrophobicContact CD2-CB 3.97Å; L68-V90 HydrophobicContact CD2-CG1 3.92Å; I86-V90 HydrophobicContact CG2-CG2 4.11Å; I86-V90 WeakPolarHBondContact O-CB 3.24Å; I86-V90 VanDerWaalsContact O-CG2 3.32Å; I86-V90 WeakPolarHBondContact O-CG2 3.25Å; I86-V90 PolarHBondContact O-N 3.26Å; V90-F93 PolarHBondContact O-N 3.49Å; V90-M94 HydrophobicContact CG1-CG 4.05Å; V90-M94 WeakPolarHBondContact O-CB 3.37Å; V90-M94 VanDerWaalsContact O-CG 3.26Å; V90-M94 WeakPolarHBondContact O-CG 3.47Å; V90-M94 PolarHBondContact O-N 2.76Å; V90-L103 HydrophobicContact CG2-CD2 4.21Å; V90-L105 HydrophobicContact CG2-CD1 4.23Å; V90-I122 HydrophobicContact CG1-CG2 4.33Å; V90-I122 HydrophobicContact CG2-CD1 4.27Å; V90-I122 HydrophobicContact CG2-CG1 4.35Å; V90-I122 HydrophobicContact CG2-CG2 4.16Å
91	N	98.3	Very high	97.2	Very high	56 Å²	56	48.9 Å²	48.9	30%	0.299	26%	0.259	S	S	.	.	H	α-helix	trans	-62.9	-47.1	177.3	-179.4	44.8	0	0	0	112.3	F63 I65 L87 F93 M94 S95	F63-N91 HydrophobicContact CE1-CB 4.15Å; F63-N91 HydrophobicContact CZ-CB 4.35Å; I65-N91 HydrophobicContact CD1-CB 4.05Å; I65-N91 VanDerWaalsContact CD1-OD1 3.27Å; I65-N91 WeakPolarHBondContact CD1-OD1 3.44Å; I65-N91 HydrophobicContact CG1-CB 4.38Å; L87-N91 WeakPolarHBondContact O-CB 3.45Å; L87-N91 PolarHBondContact O-N 2.87Å; L87-N91 VanDerWaalsContact O-N 3.13Å; N91-F93 VanDerWaalsContact C-N 3.29Å; N91-F93 PolarHBondContact O-N 2.97Å; N91-M94 PolarHBondContact O-N 3.23Å; N91-S95 VanDerWaalsContact O-CB 3.26Å; N91-S95 WeakPolarHBondContact O-CB 3.41Å; N91-S95 PolarHBondContact O-N 2.9Å; N91-S95 PolarHBondContact O-OG 3.27Å
92	G	97.9	Very high	97.2	Very high	40 Å²	40	48.9 Å²	48.9	41%	0.412	26%	0.259	S	S	.	.	H	α-helix	trans	-59.9	-39.5	178.2	0	0	0	0	0	112.5	K88 A89 S95 N96	K88-G92 PolarHBondContact O-N 3.28Å; A89-G92 PolarHBondContact O-N 3.11Å; G92-S95 PolarHBondContact O-OG 3.15Å; G92-N96 PolarHBondContact O-N 2.8Å
93	F	98.2	Very high	97.2	Very high	20 Å²	20	49.1 Å²	49.1	9%	0.088	26%	0.26	C	S	.	.	H	α-helix	trans	-69.4	-49.3	175.7	-178.8	-106.5	0	0	0	112.8	A89 V90 N91 S95 N96 P99 L103 R206 S208 I209	A89-F93 WeakPolarHBondContact O-CB 3.45Å; A89-F93 PolarHBondContact O-N 3.48Å; V90-F93 PolarHBondContact O-N 3.49Å; N91-F93 VanDerWaalsContact C-N 3.29Å; N91-F93 PolarHBondContact O-N 2.97Å; F93-S95 VanDerWaalsContact C-N 3.33Å; F93-S95 PolarHBondContact O-N 2.9Å; F93-N96 PolarHBondContact O-N 3.42Å; F93-P99 HydrophobicContact CD2-CB 4.02Å; F93-P99 HydrophobicContact CE2-CB 3.64Å; F93-P99 HydrophobicContact CE2-CG 3.9Å; F93-P99 HydrophobicContact CZ-CG 4.35Å; F93-L103 HydrophobicContact CB-CB 4.23Å; F93-L103 HydrophobicContact CB-CD1 4.43Å; F93-L103 HydrophobicContact CB-CD2 3.94Å; F93-L103 HydrophobicContact CB-CG 4.44Å; F93-L103 HydrophobicContact CD1-CB 3.82Å; F93-L103 HydrophobicContact CD1-CD2 4.13Å; F93-L103 HydrophobicContact CD2-CB 3.64Å; F93-L103 HydrophobicContact CE1-CB 3.98Å; F93-L103 HydrophobicContact CE2-CB 3.79Å; F93-L103 VanDerWaalsContact CE2-N 3.33Å; F93-L103 HydrophobicContact CG-CB 3.63Å; F93-L103 HydrophobicContact CG-CD2 4.08Å; F93-L103 HydrophobicContact CG-CG 4.33Å; F93-L103 HydrophobicContact CZ-CB 3.94Å; F93-R206 WeakPolarHBondContact CE2-O 3.42Å; F93-R206 WeakPolarHBondContact CZ-O 3.22Å; F93-S208 WeakPolarHBondContact CZ-O 3.45Å; F93-I209 HydrophobicContact CD1-CD1 4.31Å; F93-I209 HydrophobicContact CD1-CG1 4.11Å; F93-I209 HydrophobicContact CE1-CD1 4.18Å; F93-I209 HydrophobicContact CE1-CG1 3.61Å; F93-I209 HydrophobicContact CZ-CG1 4.46Å
94	M	97.1	Very high	97.2	Very high	23 Å²	23	48.4 Å²	48.4	11%	0.113	26%	0.255	C	S	.	.	H	α-helix	trans	-71	-28.9	-174.4	-68.3	-57.1	-74.1	0	0	113.1	F63 V90 N91 N96 V126 R171 I209	F63-M94 HydrophobicContact CB-CB 3.98Å; F63-M94 HydrophobicContact CB-CE 3.77Å; F63-M94 HydrophobicContact CB-CG 4.18Å; F63-M94 HydrophobicContact CD1-CB 3.46Å; F63-M94 VanDerWaalsContact CD1-CB 3.46Å; F63-M94 HydrophobicContact CD1-CG 4.09Å; F63-M94 HydrophobicContact CD2-CB 4.48Å; F63-M94 HydrophobicContact CD2-CG 4.22Å; F63-M94 HydrophobicContact CE1-CB 4.04Å; F63-M94 HydrophobicContact CG-CB 3.71Å; F63-M94 HydrophobicContact CG-CE 4.46Å; F63-M94 HydrophobicContact CG-CG 3.89Å; V90-M94 HydrophobicContact CG1-CG 4.05Å; V90-M94 WeakPolarHBondContact O-CB 3.37Å; V90-M94 VanDerWaalsContact O-CG 3.26Å; V90-M94 WeakPolarHBondContact O-CG 3.47Å; V90-M94 PolarHBondContact O-N 2.76Å; N91-M94 PolarHBondContact O-N 3.23Å; M94-N96 VanDerWaalsContact C-N 3.33Å; M94-V126 HydrophobicContact CE-CG1 3.87Å; M94-V126 HydrophobicContact CE-CG2 4.29Å; M94-R171 VanDerWaalsContact CE-NH1 3.34Å; M94-R171 PolarHBondContact SD-NH1 2.96Å; M94-I209 HydrophobicContact SD-CD1 4.14Å
95	S	96.4	Very high	97.2	Very high	80 Å²	80	42.8 Å²	42.8	56%	0.559	23%	0.234	S	C	*	.	H	α-helix	trans	-78	-15.4	174.7	58.9	0	0	0	0	113.6	N91 G92 F93 P97	N91-S95 VanDerWaalsContact O-CB 3.26Å; N91-S95 WeakPolarHBondContact O-CB 3.41Å; N91-S95 PolarHBondContact O-N 2.9Å; N91-S95 PolarHBondContact O-OG 3.27Å; G92-S95 PolarHBondContact O-OG 3.15Å; F93-S95 VanDerWaalsContact C-N 3.33Å; F93-S95 PolarHBondContact O-N 2.9Å; S95-P97 WeakPolarHBondContact O-CD 3.46Å
96	N	96.9	Very high	97	Very high	66 Å²	66	41.9 Å²	41.9	35%	0.353	23%	0.229	S	C	.	.			trans	-85.3	115.3	176	-175	-4.9	0	0	0	110.3	G92 F93 M94 N98 P99	G92-N96 PolarHBondContact O-N 2.8Å; F93-N96 PolarHBondContact O-N 3.42Å; M94-N96 VanDerWaalsContact C-N 3.33Å; N96-N98 VanDerWaalsContact C-N 3.25Å; N96-N98 PolarHBondContact O-N 2.77Å; N96-N98 VanDerWaalsContact OD1-C 3.23Å; N96-N98 PolarHBondContact OD1-N 2.79Å; N96-N98 PolarHBondContact OD1-O 2.94Å; N96-P99 WeakPolarHBondContact O-CD 3.46Å
97	P	93.6	Very high	96.9	Very high	87 Å²	87	41.9 Å²	41.9	57%	0.565	23%	0.229	S	C	*	.	S	Bend	trans	-68.8	-25	178.5	27.9	-34.5	0	0	0	113	S95 K207	S95-P97 WeakPolarHBondContact O-CD 3.46Å; P97-K207 WeakPolarHBondContact O-CE 3.22Å
98	N	95.4	Very high	96.6	Very high	128 Å²	128	40 Å²	40	68%	0.684	22%	0.219	S	C	*	.	S	Bend	trans	-131.8	68.1	-174.7	-69.9	-30.8	0	0	0	111.4	N96	N96-N98 VanDerWaalsContact C-N 3.25Å; N96-N98 PolarHBondContact O-N 2.77Å; N96-N98 VanDerWaalsContact OD1-C 3.23Å; N96-N98 PolarHBondContact OD1-N 2.79Å; N96-N98 PolarHBondContact OD1-O 2.94Å
99	P	96.4	Very high	96.4	Very high	10 Å²	10	33 Å²	33	7%	0.065	19%	0.189	C	C	.	.			trans	-61.1	148	171.9	27.7	-35.2	0	0	0	111.1	F93 N96 R206 K207	F93-P99 HydrophobicContact CD2-CB 4.02Å; F93-P99 HydrophobicContact CE2-CB 3.64Å; F93-P99 HydrophobicContact CE2-CG 3.9Å; F93-P99 HydrophobicContact CZ-CG 4.35Å; N96-P99 WeakPolarHBondContact O-CD 3.46Å; P99-R206 WeakPolarHBondContact CB-O 3.47Å; P99-R206 HydrophobicContact CG-CB 4.36Å; P99-R206 WeakPolarHBondContact CG-O 3.29Å; P99-R206 WeakPolarHBondContact O-CB 3.34Å; P99-R206 WeakPolarHBondContact O-CD 3.29Å; P99-K207 HydrophobicContact CG-CG 3.71Å
100	K	94.9	Very high	96.2	Very high	157 Å²	157	36 Å²	36	68%	0.683	20%	0.199	S	C	*	.	S	Bend	trans	-88.3	-15.7	-178.1	-66.3	-174.8	178.1	-179	0	113.9	Y196 R206	K100-Y196 HydrophobicContact CB-CD1 4.36Å; K100-R206 PolarHBondContact O-NE 3Å
101	K	95.3	Very high	96	Very high	13 Å²	13	38.3 Å²	38.3	6%	0.057	21%	0.213	C	C	.	.	S	Bend	trans	-154.3	160.8	176.9	63	168.2	-79.1	-163.5	0	108.3	Y196 R206 N268 L269 D271	K101-Y196 HydrophobicContact CB-CD1 3.83Å; K101-Y196 HydrophobicContact CB-CE1 4.06Å; K101-Y196 HydrophobicContact CB-CG 4.19Å; K101-Y196 HydrophobicContact CD-CD1 4.02Å; K101-Y196 HydrophobicContact CD-CD2 4.29Å; K101-Y196 HydrophobicContact CD-CE1 3.41Å; K101-Y196 VanDerWaalsContact CD-CE1 3.41Å; K101-Y196 HydrophobicContact CD-CE2 3.73Å; K101-Y196 HydrophobicContact CD-CG 4.43Å; K101-Y196 WeakPolarHBondContact CD-OH 3.34Å; K101-Y196 HydrophobicContact CG-CD1 4.01Å; K101-Y196 HydrophobicContact CG-CE1 3.69Å; K101-R206 CarbonylContact C-O 3.53Å; K101-N268 PolarHBondContact NZ-O 3.35Å; K101-L269 PolarHBondContact NZ-O 2.98Å; K101-D271 WeakPolarHBondContact CD-OD1 3.35Å; K101-D271 WeakPolarHBondContact CE-OD1 3.44Å; K101-D271 WeakPolarHBondContact CE-OD2 3.48Å; K101-D271 VanDerWaalsContact NZ-CG 3.32Å; K101-D271 IonicContact NZ-OD1 2.56Å; K101-D271 PolarHBondContact NZ-OD1 2.98Å; K101-D271 IonicContact NZ-OD2 2.82Å
102	P	97.5	Very high	95.9	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.006	21%	0.21	C	C	.	.			trans	-57.4	157.3	169.2	25.5	-37.2	0	0	0	112	V104 Y193 Y205 R206 S208 F210	P102-V104 HydrophobicContact CG-CG2 4.29Å; P102-Y193 WeakPolarHBondContact CG-O 3.32Å; P102-Y205 WeakPolarHBondContact CB-O 3.2Å; P102-R206 WeakPolarHBondContact CA-O 3.35Å; P102-S208 WeakPolarHBondContact CA-O 3.49Å; P102-S208 WeakPolarHBondContact CB-O 3.43Å; P102-F210 HydrophobicContact CB-CD2 3.77Å; P102-F210 HydrophobicContact CB-CE2 3.87Å; P102-F210 HydrophobicContact CG-CD2 4.22Å; P102-F210 HydrophobicContact CG-CE2 4.19Å
103	L	98.2	Very high	95.8	Very high	5 Å²	5	35 Å²	35	3%	0.026	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	124.1	167.7	177.7	63.2	0	0	0	109.5	A89 V90 F93 L105 S208 I209 F210 D271 F272	A89-L103 HydrophobicContact CB-CD1 4.45Å; V90-L103 HydrophobicContact CG2-CD2 4.21Å; F93-L103 HydrophobicContact CB-CB 4.23Å; F93-L103 HydrophobicContact CB-CD1 4.43Å; F93-L103 HydrophobicContact CB-CD2 3.94Å; F93-L103 HydrophobicContact CB-CG 4.44Å; F93-L103 HydrophobicContact CD1-CB 3.82Å; F93-L103 HydrophobicContact CD1-CD2 4.13Å; F93-L103 HydrophobicContact CD2-CB 3.64Å; F93-L103 HydrophobicContact CE1-CB 3.98Å; F93-L103 HydrophobicContact CE2-CB 3.79Å; F93-L103 VanDerWaalsContact CE2-N 3.33Å; F93-L103 HydrophobicContact CG-CB 3.63Å; F93-L103 HydrophobicContact CG-CD2 4.08Å; F93-L103 HydrophobicContact CG-CG 4.33Å; F93-L103 HydrophobicContact CZ-CB 3.94Å; L103-L105 HydrophobicContact CD1-CD2 3.92Å; L103-L105 HydrophobicContact CD1-CG 4.36Å; L103-L105 HydrophobicContact CD2-CD1 4.28Å; L103-L105 HydrophobicContact CD2-CD2 4.42Å; L103-L105 HydrophobicContact CD2-CG 4.24Å; L103-L105 HydrophobicContact CG-CD2 4.19Å; L103-L105 HydrophobicContact CG-CG 4.08Å; L103-S208 PolarHBondContact N-O 2.88Å; L103-S208 VanDerWaalsContact N-O 3.16Å; L103-I209 HydrophobicContact CB-CG1 4.43Å; L103-I209 HydrophobicContact CB-CG2 4.49Å; L103-I209 HydrophobicContact CD2-CG2 4.26Å; L103-F210 PolarHBondContact O-N 3.21Å; L103-D271 HydrophobicContact CD1-CB 4.48Å; L103-F272 HydrophobicContact CD1-CD2 4.18Å; L103-F272 HydrophobicContact CD1-CE2 4.2Å
104	V	97.3	Very high	95.8	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	107.2	177.5	-171.7	0	0	0	0	110.1	P102 L194 F210 F212 L269 V270 D271 F272	P102-V104 HydrophobicContact CG-CG2 4.29Å; V104-L194 HydrophobicContact CG2-CB 4.22Å; V104-L194 HydrophobicContact CG2-CD2 3.92Å; V104-F210 WeakPolarHBondContact CA-O 3.47Å; V104-F210 HydrophobicContact CG1-CB 4.42Å; V104-F210 HydrophobicContact CG2-CB 4.34Å; V104-F212 HydrophobicContact CG1-CD2 4.12Å; V104-F212 HydrophobicContact CG1-CE2 3.52Å; V104-F212 HydrophobicContact CG1-CZ 4.04Å; V104-L269 VanDerWaalsContact CB-O 3.3Å; V104-L269 WeakPolarHBondContact CB-O 3.46Å; V104-L269 VanDerWaalsContact CG2-O 3.32Å; V104-L269 WeakPolarHBondContact CG2-O 3.47Å; V104-V270 HydrophobicContact CG1-CB 4.47Å; V104-V270 HydrophobicContact CG1-CG2 4.21Å; V104-D271 PolarHBondContact N-OD2 2.63Å; V104-D271 PolarHBondContact O-N 2.66Å; V104-F272 PolarHBondContact O-N 3.08Å
105	L	96.9	Very high	95.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	130.6	176.3	-58	179.3	0	0	0	110	A89 V90 L103 L107 I122 F210 I211 F212 F272	A89-L105 HydrophobicContact CB-CD2 4Å; V90-L105 HydrophobicContact CG2-CD1 4.23Å; L103-L105 HydrophobicContact CD1-CD2 3.92Å; L103-L105 HydrophobicContact CD1-CG 4.36Å; L103-L105 HydrophobicContact CD2-CD1 4.28Å; L103-L105 HydrophobicContact CD2-CD2 4.42Å; L103-L105 HydrophobicContact CD2-CG 4.24Å; L103-L105 HydrophobicContact CG-CD2 4.19Å; L103-L105 HydrophobicContact CG-CG 4.08Å; L105-L107 HydrophobicContact CB-CD1 3.69Å; L105-I122 HydrophobicContact CD1-CD1 4.13Å; L105-F210 PolarHBondContact N-O 2.92Å; L105-I211 CarbonylContact O-C 3.52Å; L105-I211 WeakPolarHBondContact O-CA 2.95Å; L105-F212 PolarHBondContact O-N 3.25Å; L105-F272 HydrophobicContact CD2-CB 3.95Å; L105-F272 HydrophobicContact CD2-CD2 3.87Å; L105-F272 HydrophobicContact CD2-CG 4.34Å
106	S	94.6	Very high	95.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	108.6	173.6	-157.9	0	0	0	0	110	H108 F259 F272 F273 V274	S106-H108 WeakPolarHBondContact CB-NE2 3.36Å; S106-H108 PolarHBondContact O-CD2 3.04Å; S106-H108 VanDerWaalsContact O-CD2 3.28Å; S106-H108 PolarHBondContact OG-NE2 2.98Å; S106-F259 WeakPolarHBondContact OG-CZ 3.29Å; S106-F272 PolarHBondContact N-O 2.94Å; S106-F273 WeakPolarHBondContact O-CA 3.32Å; S106-V274 PolarHBondContact O-N 3.48Å
107	L	96.2	Very high	95.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	120.8	-174.7	-72.3	64.1	0	0	0	109.5	L105 K115 I211 F212 L213 S214 V274 F276	L105-L107 HydrophobicContact CB-CD1 3.69Å; L107-K115 HydrophobicContact CB-CD 4.36Å; L107-K115 HydrophobicContact CB-CG 4.38Å; L107-I211 HydrophobicContact CD1-CG2 3.74Å; L107-I211 HydrophobicContact CD2-CG2 4.42Å; L107-F212 PolarHBondContact N-O 3.06Å; L107-L213 HydrophobicContact CB-CD2 3.94Å; L107-L213 HydrophobicContact CD1-CD2 4.5Å; L107-L213 HydrophobicContact CD2-CD2 3.79Å; L107-L213 HydrophobicContact CG-CD2 4.28Å; L107-S214 PolarHBondContact O-N 3.22Å; L107-V274 WeakPolarHBondContact CA-O 3.09Å; L107-V274 HydrophobicContact CD1-CB 4.35Å; L107-V274 HydrophobicContact CD1-CG2 4.31Å; L107-V274 HydrophobicContact CG-CB 4.06Å; L107-V274 HydrophobicContact CG-CG1 4.42Å; L107-F276 HydrophobicContact CB-CD2 4.32Å; L107-F276 HydrophobicContact CB-CE2 3.85Å; L107-F276 HydrophobicContact CD2-CE2 3.66Å; L107-F276 HydrophobicContact CD2-CZ 3.82Å; L107-F276 HydrophobicContact CG-CE2 3.71Å; L107-F276 HydrophobicContact CG-CZ 4.38Å
108	H	93.4	Very high	96.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	138.5	-172.5	-67.5	-90	0	0	0	111.4	S106 S214 A216 I221 L247 F273 V274 P275 F276	S106-H108 WeakPolarHBondContact CB-NE2 3.36Å; S106-H108 PolarHBondContact O-CD2 3.04Å; S106-H108 VanDerWaalsContact O-CD2 3.28Å; S106-H108 PolarHBondContact OG-NE2 2.98Å; H108-S214 WeakPolarHBondContact CA-O 3.38Å; H108-A216 PolarHBondContact ND1-O 2.86Å; H108-A216 VanDerWaalsContact ND1-O 3.15Å; H108-I221 HydrophobicContact CB-CD1 4.47Å; H108-L247 HydrophobicContact CB-CD2 3.99Å; H108-F273 AromaticContact CD2-CD1 3.96Å; H108-F273 AromaticContact NE2-CD1 3.72Å; H108-V274 PolarHBondContact N-O 3.42Å; H108-P275 CarbonylContact O-C 3.31Å; H108-P275 WeakPolarHBondContact O-CA 3.47Å; H108-F276 PolarHBondContact O-N 3.2Å
109	G	93.3	Very high	96.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.1	-173.7	173	0	0	0	0	0	112.9	K115 S214 N215 F276	G109-K115 PolarHBondContact O-NZ 3.42Å; G109-S214 PolarHBondContact N-O 2.95Å; G109-N215 WeakPolarHBondContact O-CA 3.22Å; G109-N215 PolarHBondContact O-OD1 3.41Å; G109-F276 WeakPolarHBondContact CA-O 3.46Å
110	W	93.5	Very high	96.4	Very high	71 Å²	71	27.9 Å²	27.9	27%	0.269	14%	0.141	S	C	.	.			trans	-65.9	166	-177.2	-158.4	-113.8	0	0	0	113.2	T113 K115 D219 I222 V323	W110-T113 HydrophobicContact CB-CG2 3.95Å; W110-T113 PolarHBondContact O-OG1 2.93Å; W110-K115 PolarHBondContact O-NZ 3.13Å; W110-D219 WeakPolarHBondContact CZ3-OD1 3.46Å; W110-I222 HydrophobicContact CB-CD1 4.14Å; W110-I222 HydrophobicContact CD2-CD1 3.5Å; W110-I222 HydrophobicContact CE3-CD1 3.34Å; W110-I222 HydrophobicContact CG-CD1 3.87Å; W110-I222 HydrophobicContact CZ3-CD1 3.9Å; W110-V323 PolarHBondContact NE1-O 3.03Å
111	T	94.1	Very high	96.6	Very high	47 Å²	47	20.5 Å²	20.5	29%	0.288	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	144.8	175.7	178	0	0	0	0	111.4	T113	T111-T113 VanDerWaalsContact C-N 3.29Å; T111-T113 PolarHBondContact O-N 2.83Å
112	G	95.8	Very high	96.7	Very high	23 Å²	23	19.9 Å²	19.9	24%	0.237	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	16.2	173.3	0	0	0	0	0	115.5	L279 G325 C326	G112-L279 WeakPolarHBondContact O-CD1 3.27Å; G112-G325 WeakPolarHBondContact O-CA 3.48Å; G112-C326 PolarHBondContact O-N 3.39Å
113	T	97.5	Very high	96.8	Very high	5 Å²	5	19.8 Å²	19.8	3%	0.031	11%	0.106	C	C	.	.	S	Bend	trans	-92.4	-5.4	179.6	55.7	0	0	0	0	114.2	Q79 W110 T111 F276 L277 L279	Q79-T113 PolarHBondContact NE2-O 3.37Å; W110-T113 HydrophobicContact CB-CG2 3.95Å; W110-T113 PolarHBondContact O-OG1 2.93Å; T111-T113 VanDerWaalsContact C-N 3.29Å; T111-T113 PolarHBondContact O-N 2.83Å; T113-F276 WeakPolarHBondContact OG1-CB 3.26Å; T113-L277 VanDerWaalsContact CG2-O 3.27Å; T113-L277 WeakPolarHBondContact CG2-O 3.33Å; T113-L279 HydrophobicContact CG2-CG 4.31Å
114	G	97.4	Very high	96.8	Very high	18 Å²	18	21.4 Å²	21.4	19%	0.186	11%	0.114	C	C	.	.	S	Bend	trans	114.3	8.1	173.6	0	0	0	0	0	116.7	N116 F117 V118	G114-N116 PolarHBondContact O-N 2.9Å; G114-F117 WeakPolarHBondContact O-CB 3.39Å; G114-F117 PolarHBondContact O-N 3.25Å; G114-F117 VanDerWaalsContact O-N 3.16Å; G114-V118 WeakPolarHBondContact O-CG2 3.16Å; G114-V118 PolarHBondContact O-N 3.06Å
115	K	97.6	Very high	96.8	Very high	13 Å²	13	21.5 Å²	21.5	6%	0.057	11%	0.114	C	C	.	.	H	α-helix	trans	-51.5	-56.9	-179.8	-64.6	-169.2	-64.8	-84.1	0	113.7	L107 G109 W110 F117 V118 S119 L213 S214 N215 F276	L107-K115 HydrophobicContact CB-CD 4.36Å; L107-K115 HydrophobicContact CB-CG 4.38Å; G109-K115 PolarHBondContact O-NZ 3.42Å; W110-K115 PolarHBondContact O-NZ 3.13Å; K115-F117 VanDerWaalsContact C-N 3.31Å; K115-F117 PolarHBondContact O-N 3.24Å; K115-V118 PolarHBondContact O-N 3.16Å; K115-S119 PolarHBondContact O-N 3.06Å; K115-L213 HydrophobicContact CB-CD2 4.32Å; K115-S214 WeakPolarHBondContact CD-O 3.47Å; K115-S214 WeakPolarHBondContact CE-O 3.15Å; K115-N215 PolarHBondContact NZ-OD1 2.82Å; K115-F276 HydrophobicContact CG-CB 4.31Å; K115-F276 HydrophobicContact CG-CD1 4.09Å; K115-F276 HydrophobicContact CG-CD2 3.82Å; K115-F276 HydrophobicContact CG-CE1 4.37Å; K115-F276 HydrophobicContact CG-CE2 4.14Å; K115-F276 HydrophobicContact CG-CG 3.8Å; K115-F276 HydrophobicContact CG-CZ 4.4Å
116	N	97.6	Very high	96.9	Very high	79 Å²	79	21.6 Å²	21.6	42%	0.422	12%	0.115	S	C	.	.	H	α-helix	trans	-66.2	-36.6	178.1	-59.7	38.8	0	0	0	111.4	G114 V118 S119 Q120 D177 L213	G114-N116 PolarHBondContact O-N 2.9Å; N116-V118 VanDerWaalsContact C-N 3.32Å; N116-V118 PolarHBondContact O-N 2.93Å; N116-S119 WeakPolarHBondContact CA-OG 3.43Å; N116-S119 PolarHBondContact O-N 2.03Å; N116-S119 PolarHBondContact O-OG 3.49Å; N116-Q120 PolarHBondContact O-N 3.05Å; N116-Q120 VanDerWaalsContact O-N 3.08Å; N116-D177 PolarHBondContact ND2-OD2 3.49Å; N116-L213 HydrophobicContact CB-CD1 4.31Å; N116-L213 WeakPolarHBondContact OD1-CD1 3.32Å
117	F	98.1	Very high	97.1	Very high	74 Å²	74	21.8 Å²	21.8	33%	0.325	12%	0.115	S	C	.	.	H	α-helix	trans	-60.4	-42.3	177.8	-177.3	-118.5	0	0	0	111.5	K75 L76 G114 K115 S119 Q120 L121	K75-F117 HydrophobicContact CB-CE1 3.77Å; K75-F117 HydrophobicContact CB-CZ 3.77Å; K75-F117 HydrophobicContact CD-CZ 4.27Å; K75-F117 WeakPolarHBondContact O-CE1 3.23Å; L76-F117 HydrophobicContact CD1-CD1 4.24Å; G114-F117 WeakPolarHBondContact O-CB 3.39Å; G114-F117 PolarHBondContact O-N 3.25Å; G114-F117 VanDerWaalsContact O-N 3.16Å; K115-F117 VanDerWaalsContact C-N 3.31Å; K115-F117 PolarHBondContact O-N 3.24Å; F117-S119 PolarHBondContact O-N 2.95Å; F117-Q120 WeakPolarHBondContact O-CB 2.97Å; F117-Q120 PolarHBondContact O-N 3.07Å; F117-L121 HydrophobicContact CD1-CD1 4.26Å; F117-L121 HydrophobicContact CE1-CD1 3.89Å; F117-L121 HydrophobicContact CE1-CD2 4.37Å; F117-L121 HydrophobicContact CE1-CG 4.27Å; F117-L121 HydrophobicContact CE2-CD2 4.26Å; F117-L121 HydrophobicContact CZ-CD1 4.35Å; F117-L121 HydrophobicContact CZ-CD2 3.99Å; F117-L121 HydrophobicContact CZ-CG 4.36Å; F117-L121 WeakPolarHBondContact O-CG 2.88Å; F117-L121 PolarHBondContact O-N 2.84Å
118	V	98.4	Very high	97	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-68.5	-36.4	176.5	-179.5	0	0	0	0	112.3	L72 L76 I86 G114 K115 N116 Q120 L121 I122 F276	L72-V118 HydrophobicContact CD2-CG1 4.1Å; L72-V118 HydrophobicContact CD2-CG2 4.49Å; L76-V118 HydrophobicContact CD1-CG2 3.48Å; L76-V118 VanDerWaalsContact CD1-CG2 3.48Å; L76-V118 HydrophobicContact CD2-CG2 3.39Å; L76-V118 HydrophobicContact CG-CG2 4.02Å; I86-V118 HydrophobicContact CD1-CB 4.32Å; I86-V118 HydrophobicContact CD1-CG1 3.36Å; I86-V118 HydrophobicContact CG1-CG1 4.41Å; I86-V118 HydrophobicContact CG2-CG1 4.1Å; G114-V118 WeakPolarHBondContact O-CG2 3.16Å; G114-V118 PolarHBondContact O-N 3.06Å; K115-V118 PolarHBondContact O-N 3.16Å; N116-V118 VanDerWaalsContact C-N 3.32Å; N116-V118 PolarHBondContact O-N 2.93Å; V118-Q120 PolarHBondContact O-N 3.3Å; V118-L121 PolarHBondContact O-N 2.93Å; V118-L121 VanDerWaalsContact O-N 3.11Å; V118-I122 HydrophobicContact CG1-CD1 4.04Å; V118-I122 HydrophobicContact CG1-CG1 4.2Å; V118-I122 VanDerWaalsContact O-CG1 3.32Å; V118-I122 WeakPolarHBondContact O-CG1 3.17Å; V118-I122 PolarHBondContact O-N 3.42Å; V118-F276 HydrophobicContact CB-CZ 4.2Å; V118-F276 HydrophobicContact CG2-CE1 3.88Å; V118-F276 HydrophobicContact CG2-CZ 3.83Å
119	S	98.4	Very high	97.2	Very high	4 Å²	4	29.3 Å²	29.3	3%	0.028	16%	0.161	C	C	.	.	H	α-helix	trans	-59.5	-36.2	172.9	60.4	0	0	0	0	112.2	K115 N116 F117 I122 A123	K115-S119 PolarHBondContact O-N 3.06Å; N116-S119 WeakPolarHBondContact CA-OG 3.43Å; N116-S119 PolarHBondContact O-N 2.03Å; N116-S119 PolarHBondContact O-OG 3.49Å; F117-S119 PolarHBondContact O-N 2.95Å; S119-I122 PolarHBondContact O-N 2.88Å; S119-A123 WeakPolarHBondContact O-CB 3.18Å; S119-A123 PolarHBondContact O-N 3.35Å
120	Q	98.4	Very high	97.4	Very high	76 Å²	76	29.5 Å²	29.5	36%	0.355	16%	0.163	S	C	.	.	H	α-helix	trans	-64.1	-46.4	171.6	171.4	-178.6	-0.2	0	0	111.9	N116 F117 V118 I122 A123 E124 M131	N116-Q120 PolarHBondContact O-N 3.05Å; N116-Q120 VanDerWaalsContact O-N 3.08Å; F117-Q120 WeakPolarHBondContact O-CB 2.97Å; F117-Q120 PolarHBondContact O-N 3.07Å; V118-Q120 PolarHBondContact O-N 3.3Å; Q120-I122 VanDerWaalsContact C-N 3.29Å; Q120-I122 PolarHBondContact O-N 3.43Å; Q120-A123 PolarHBondContact O-N 3.3Å; Q120-E124 HydrophobicContact CG-CG 4.3Å; Q120-E124 WeakPolarHBondContact CG-OE1 3.03Å; Q120-E124 PolarHBondContact NE2-OE1 3.29Å; Q120-E124 WeakPolarHBondContact O-CB 3.21Å; Q120-E124 WeakPolarHBondContact O-CG 3.09Å; Q120-E124 PolarHBondContact O-N 2.92Å; Q120-M131 HydrophobicContact CB-CG 3.89Å; Q120-M131 HydrophobicContact CB-SD 4.24Å; Q120-M131 HydrophobicContact CG-CG 3.83Å
121	L	98.6	Very high	97.6	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-60	-39.4	177.1	-61.3	-175.5	0	0	0	112.3	D71 L72 K75 F117 V118 S125	D71-L121 HydrophobicContact CB-CD1 4.15Å; D71-L121 HydrophobicContact CB-CD2 4Å; D71-L121 HydrophobicContact CB-CG 4.47Å; L72-L121 HydrophobicContact CD2-CD1 4.26Å; K75-L121 HydrophobicContact CD-CD2 4.06Å; F117-L121 HydrophobicContact CD1-CD1 4.26Å; F117-L121 HydrophobicContact CE1-CD1 3.89Å; F117-L121 HydrophobicContact CE1-CD2 4.37Å; F117-L121 HydrophobicContact CE1-CG 4.27Å; F117-L121 HydrophobicContact CE2-CD2 4.26Å; F117-L121 HydrophobicContact CZ-CD1 4.35Å; F117-L121 HydrophobicContact CZ-CD2 3.99Å; F117-L121 HydrophobicContact CZ-CG 4.36Å; F117-L121 WeakPolarHBondContact O-CG 2.88Å; F117-L121 PolarHBondContact O-N 2.84Å; V118-L121 PolarHBondContact O-N 2.93Å; V118-L121 VanDerWaalsContact O-N 3.11Å; L121-S125 WeakPolarHBondContact O-CB 3.12Å; L121-S125 PolarHBondContact O-N 3.21Å; L121-S125 PolarHBondContact O-OG 3.45Å
122	I	98.8	Very high	97.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-64.3	-50.1	175.4	-61.9	166.3	0	0	0	109.6	L68 I86 V90 L105 V118 S119 Q120 E124 S125 V126 M173 I211	L68-I122 HydrophobicContact CD1-CG1 4.3Å; I86-I122 HydrophobicContact CG2-CD1 3.73Å; I86-I122 HydrophobicContact CG2-CG1 3.88Å; V90-I122 HydrophobicContact CG1-CG2 4.33Å; V90-I122 HydrophobicContact CG2-CD1 4.27Å; V90-I122 HydrophobicContact CG2-CG1 4.35Å; V90-I122 HydrophobicContact CG2-CG2 4.16Å; L105-I122 HydrophobicContact CD1-CD1 4.13Å; V118-I122 HydrophobicContact CG1-CD1 4.04Å; V118-I122 HydrophobicContact CG1-CG1 4.2Å; V118-I122 VanDerWaalsContact O-CG1 3.32Å; V118-I122 WeakPolarHBondContact O-CG1 3.17Å; V118-I122 PolarHBondContact O-N 3.42Å; S119-I122 PolarHBondContact O-N 2.88Å; Q120-I122 VanDerWaalsContact C-N 3.29Å; Q120-I122 PolarHBondContact O-N 3.43Å; I122-E124 PolarHBondContact O-N 2.82Å; I122-S125 PolarHBondContact O-N 2.96Å; I122-S125 VanDerWaalsContact O-N 3.1Å; I122-S125 PolarHBondContact O-OG 3.38Å; I122-V126 WeakPolarHBondContact O-CG2 3.48Å; I122-V126 PolarHBondContact O-N 3.17Å; I122-M173 HydrophobicContact CB-CE 4.47Å; I122-M173 HydrophobicContact CG2-CE 3.6Å; I122-I211 HydrophobicContact CD1-CD1 3.98Å
123	A	98.6	Very high	97.8	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-57.9	-47.7	179.2	0	0	0	0	0	111.9	S119 Q120 S125 V126 Y127 M131 V136 M173	S119-A123 WeakPolarHBondContact O-CB 3.18Å; S119-A123 PolarHBondContact O-N 3.35Å; Q120-A123 PolarHBondContact O-N 3.3Å; A123-S125 PolarHBondContact O-N 3.34Å; A123-V126 PolarHBondContact O-N 3.39Å; A123-Y127 HydrophobicContact CB-CD2 4.37Å; A123-Y127 WeakPolarHBondContact O-CD2 3.07Å; A123-Y127 PolarHBondContact O-N 2.79Å; A123-M131 HydrophobicContact CB-CG 4.27Å; A123-M131 HydrophobicContact CB-SD 3.56Å; A123-M131 VanDerWaalsContact CB-SD 3.56Å; A123-V136 HydrophobicContact CB-CG2 4.19Å; A123-M173 HydrophobicContact CB-SD 4.22Å
124	E	98.3	Very high	97.7	Very high	39 Å²	39	39.9 Å²	39.9	18%	0.182	20%	0.2	C	C	.	.	H	α-helix	trans	-62.3	-25.4	176.7	-79	-176.6	-157.6	0	0	114.2	R67 Q120 I122	R67-E124 IonicContact CZ-OE2 2.93Å; R67-E124 PolarHBondContact NE-O 2.92Å; R67-E124 PolarHBondContact NH1-O 2.62Å; R67-E124 IonicContact NH2-OE2 2.66Å; R67-E124 PolarHBondContact NH2-OE2 3.42Å; Q120-E124 HydrophobicContact CG-CG 4.3Å; Q120-E124 WeakPolarHBondContact CG-OE1 3.03Å; Q120-E124 PolarHBondContact NE2-OE1 3.29Å; Q120-E124 WeakPolarHBondContact O-CB 3.21Å; Q120-E124 WeakPolarHBondContact O-CG 3.09Å; Q120-E124 PolarHBondContact O-N 2.92Å; I122-E124 PolarHBondContact O-N 2.82Å
125	S	98.3	Very high	97.7	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.014	19%	0.194	C	C	.	.	H	α-helix	trans	-83.4	-15.8	174.9	76.9	0	0	0	0	113.8	F63 N64 L121 I122 A123	F63-S125 CarbonylContact C-O 3.52Å; F63-S125 WeakPolarHBondContact CA-O 3.25Å; N64-S125 PolarHBondContact N-O 2.81Å; L121-S125 WeakPolarHBondContact O-CB 3.12Å; L121-S125 PolarHBondContact O-N 3.21Å; L121-S125 PolarHBondContact O-OG 3.45Å; I122-S125 PolarHBondContact O-N 2.96Å; I122-S125 VanDerWaalsContact O-N 3.1Å; I122-S125 PolarHBondContact O-OG 3.38Å; A123-S125 PolarHBondContact O-N 3.34Å
126	V	98.1	Very high	97.8	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.006	20%	0.195	C	C	.	.	H	α-helix	trans	-110.5	-41.1	-174.1	174.1	0	0	0	0	112.3	I61 S62 F63 M94 I122 A123	I61-V126 CarbonylContact C-O 3.57Å; I61-V126 WeakPolarHBondContact CA-O 3.28Å; I61-V126 HydrophobicContact CG2-CG1 4.02Å; S62-V126 CarbonylContact C-O 3.57Å; S62-V126 PolarHBondContact N-O 3.42Å; F63-V126 HydrophobicContact CD2-CG2 3.92Å; M94-V126 HydrophobicContact CE-CG1 3.87Å; M94-V126 HydrophobicContact CE-CG2 4.29Å; I122-V126 WeakPolarHBondContact O-CG2 3.48Å; I122-V126 PolarHBondContact O-N 3.17Å; A123-V126 PolarHBondContact O-N 3.39Å
127	Y	98.1	Very high	97.8	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.016	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-112.3	136.2	-175.4	-52.3	-82.3	0	0	0	110.1	W60 I61 A123 E129 G130 F135 V136 R171 M173	W60-Y127 WeakPolarHBondContact O-CA 3.36Å; I61-Y127 HydrophobicContact CD1-CD1 4.32Å; I61-Y127 HydrophobicContact CD1-CE1 4.11Å; I61-Y127 HydrophobicContact CG1-CD1 3.95Å; I61-Y127 HydrophobicContact CG1-CE1 4.2Å; I61-Y127 HydrophobicContact CG2-CD1 4.15Å; I61-Y127 HydrophobicContact CG2-CE1 4.01Å; A123-Y127 HydrophobicContact CB-CD2 4.37Å; A123-Y127 WeakPolarHBondContact O-CD2 3.07Å; A123-Y127 PolarHBondContact O-N 2.79Å; Y127-E129 PolarHBondContact O-N 2.56Å; Y127-G130 PolarHBondContact O-N 2.78Å; Y127-F135 HydrophobicContact CD1-CB 4.11Å; Y127-F135 HydrophobicContact CD1-CD2 4.39Å; Y127-F135 HydrophobicContact CE1-CB 3.69Å; Y127-V136 HydrophobicContact CD2-CG2 3.31Å; Y127-V136 HydrophobicContact CE2-CG2 3.37Å; Y127-V136 HydrophobicContact CG-CG2 3.96Å; Y127-R171 WeakPolarHBondContact CE1-O 3.45Å; Y127-R171 PolarHBondContact OH-O 2.85Å; Y127-M173 HydrophobicContact CE2-CB 3.94Å; Y127-M173 HydrophobicContact CE2-CE 3.77Å; Y127-M173 HydrophobicContact CE2-SD 4.3Å; Y127-M173 VanDerWaalsContact OH-CB 3.32Å; Y127-M173 WeakPolarHBondContact OH-CB 3.36Å; Y127-M173 PolarHBondContact OH-N 3.34Å
128	A	95.8	Very high	97.8	Very high	63 Å²	63	36 Å²	36	52%	0.521	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-40.3	178.7	0	0	0	0	0	112.2	W60 G130	W60-A128 HydrophobicContact CE3-CB 4.17Å; W60-A128 PolarHBondContact O-N 2.94Å; A128-G130 VanDerWaalsContact C-N 3.3Å; A128-G130 PolarHBondContact O-N 2.83Å
129	E	96.4	Very high	97.8	Very high	95 Å²	95	37 Å²	37	44%	0.444	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	3.4	178.5	-63.2	-59.7	149.4	0	0	113.5	W60 Y127 M131 H132	W60-E129 HydrophobicContact CE3-CG 4.39Å; W60-E129 HydrophobicContact CZ3-CG 4.14Å; Y127-E129 PolarHBondContact O-N 2.56Å; E129-M131 PolarHBondContact O-N 2.77Å; E129-H132 PolarHBondContact O-N 3.47Å
130	G	97.3	Very high	97.7	Very high	4 Å²	4	38.4 Å²	38.4	4%	0.041	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	52.3	-125.2	-178.4	0	0	0	0	0	112.6	Y127 A128 H132 S133	Y127-G130 PolarHBondContact O-N 2.78Å; A128-G130 VanDerWaalsContact C-N 3.3Å; A128-G130 PolarHBondContact O-N 2.83Å; G130-H132 PolarHBondContact O-N 2.73Å; G130-S133 WeakPolarHBondContact O-CB 3.39Å; G130-S133 PolarHBondContact O-N 3.23Å
131	M	97.4	Very high	97.4	Very high	59 Å²	59	35 Å²	35	29%	0.291	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-68.8	-17.5	179.3	-68.9	-61.3	-62.5	0	0	114.4	Q120 A123 E129 S133 V136 V138 I175	Q120-M131 HydrophobicContact CB-CG 3.89Å; Q120-M131 HydrophobicContact CB-SD 4.24Å; Q120-M131 HydrophobicContact CG-CG 3.83Å; A123-M131 HydrophobicContact CB-CG 4.27Å; A123-M131 HydrophobicContact CB-SD 3.56Å; A123-M131 VanDerWaalsContact CB-SD 3.56Å; E129-M131 PolarHBondContact O-N 2.77Å; M131-S133 VanDerWaalsContact C-N 3.31Å; M131-V136 HydrophobicContact CE-CG1 4.14Å; M131-V136 HydrophobicContact SD-CG1 4.03Å; M131-V138 HydrophobicContact CE-CG2 3.47Å; M131-V138 VanDerWaalsContact CE-CG2 3.47Å; M131-I175 HydrophobicContact CE-CD1 3.84Å; M131-I175 HydrophobicContact SD-CD1 4.08Å
132	H	96.9	Very high	97	Very high	171 Å²	171	38.3 Å²	38.3	79%	0.792	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-88.1	-2.6	177.3	-59.4	97.3	0	0	0	112.7	E129 G130	E129-H132 PolarHBondContact O-N 3.47Å; G130-H132 PolarHBondContact O-N 2.73Å
133	S	97.4	Very high	96.8	Very high	4 Å²	4	44 Å²	44	3%	0.028	23%	0.228	C	C	.	.			trans	-58.3	136.4	174.6	174.3	0	0	0	0	111.3	E54 G130 M131 F135 V136	E54-S133 WeakPolarHBondContact OE1-CA 3.45Å; E54-S133 WeakPolarHBondContact OE1-CB 3.29Å; E54-S133 PolarHBondContact OE1-OG 3.03Å; E54-S133 WeakPolarHBondContact OE2-CA 3.48Å; G130-S133 WeakPolarHBondContact O-CB 3.39Å; G130-S133 PolarHBondContact O-N 3.23Å; M131-S133 VanDerWaalsContact C-N 3.31Å; S133-F135 PolarHBondContact O-N 3.24Å; S133-F135 PolarHBondContact OG-N 3.42Å; S133-F135 VanDerWaalsContact OG-N 3.12Å; S133-V136 PolarHBondContact O-N 3.29Å
134	R	96.1	Very high	96.6	Very high	130 Å²	130	47.8 Å²	47.8	49%	0.491	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-12.2	172.4	75	-174.9	48.9	-169.8	-15.3	113.4	E54 H137	E54-R134 HydrophobicContact CG-CG 4.26Å; E54-R134 PolarHBondContact O-NE 3.39Å; E54-R134 PolarHBondContact O-NH1 3.04Å; E54-R134 VanDerWaalsContact OE2-CG 3.27Å; E54-R134 WeakPolarHBondContact OE2-CG 3.36Å; E54-R134 PolarHBondContact OE2-N 3.35Å; E54-R134 IonicContact OE2-NE 3.99Å; R134-H137 PolarHBondContact O-CE1 2.71Å
135	F	98	Very high	96.4	Very high	12 Å²	12	47.1 Å²	47.1	5%	0.053	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-1.6	179.1	-51.9	-57.9	0	0	0	112.9	E54 C55 C56 I61 Y127 S133 C169 S172 M173	E54-F135 HydrophobicContact CG-CD2 4.16Å; E54-F135 HydrophobicContact CG-CE2 3.6Å; E54-F135 HydrophobicContact CG-CZ 4.39Å; C55-F135 VanDerWaalsContact C-CZ 3.44Å; C56-F135 HydrophobicContact CB-CE1 4.35Å; C56-F135 HydrophobicContact CB-CZ 4.09Å; I61-F135 HydrophobicContact CD1-CD2 3.66Å; I61-F135 HydrophobicContact CD1-CE2 3.91Å; I61-F135 HydrophobicContact CD1-CG 4.23Å; I61-F135 HydrophobicContact CG1-CD2 4.12Å; I61-F135 HydrophobicContact CG1-CE2 4.33Å; Y127-F135 HydrophobicContact CD1-CB 4.11Å; Y127-F135 HydrophobicContact CD1-CD2 4.39Å; Y127-F135 HydrophobicContact CE1-CB 3.69Å; S133-F135 PolarHBondContact O-N 3.24Å; S133-F135 PolarHBondContact OG-N 3.42Å; S133-F135 VanDerWaalsContact OG-N 3.12Å; F135-C169 HydrophobicContact CD1-CB 3.43Å; F135-C169 VanDerWaalsContact CD1-CB 3.43Å; F135-C169 HydrophobicContact CE1-CB 3.47Å; F135-C169 VanDerWaalsContact CE1-CB 3.47Å; F135-C169 HydrophobicContact CG-CB 4.28Å; F135-C169 HydrophobicContact CZ-CB 4.33Å; F135-S172 CarbonylContact O-C 3.57Å; F135-S172 WeakPolarHBondContact O-CA 3.42Å; F135-M173 PolarHBondContact O-N 2.85Å
136	V	98.6	Very high	96.1	Very high	13 Å²	13	50.1 Å²	50.1	8%	0.079	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	123.7	174.1	179.4	0	0	0	0	108.8	A123 Y127 M131 S133 M173 I175	A123-V136 HydrophobicContact CB-CG2 4.19Å; Y127-V136 HydrophobicContact CD2-CG2 3.31Å; Y127-V136 HydrophobicContact CE2-CG2 3.37Å; Y127-V136 HydrophobicContact CG-CG2 3.96Å; M131-V136 HydrophobicContact CE-CG1 4.14Å; M131-V136 HydrophobicContact SD-CG1 4.03Å; S133-V136 PolarHBondContact O-N 3.29Å; V136-M173 HydrophobicContact CG1-SD 4.49Å; V136-M173 HydrophobicContact CG2-CB 4.37Å; V136-I175 HydrophobicContact CG1-CD1 4.01Å
137	H	98.4	Very high	95.8	Very high	16 Å²	16	55.1 Å²	55.1	7%	0.074	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	121.3	-175.4	-52	-71.1	0	0	0	110.2	R134 F139 W161 N165 M173 F174 I175	R134-H137 PolarHBondContact O-CE1 2.71Å; H137-F139 HydrophobicContact CB-CE2 4.14Å; H137-W161 AromaticContact CE1-NE1 3.95Å; H137-W161 AromaticContact CG-NE1 3.65Å; H137-W161 AromaticContact ND1-NE1 3.39Å; H137-W161 PolarHBondContact ND1-NE1 3.2Å; H137-N165 PolarHBondContact CE1-OD1 3.06Å; H137-N165 WeakPolarHBondContact NE2-CB 3.48Å; H137-N165 PolarHBondContact NE2-OD1 3.28Å; H137-M173 PolarHBondContact N-O 3.16Å; H137-F174 HydrophobicContact CB-CD1 3.74Å; H137-F174 HydrophobicContact CB-CE1 4.09Å; H137-F174 AromaticContact CD2-CD1 3.72Å; H137-F174 AromaticContact CD2-CE1 3.31Å; H137-F174 WeakPolarHBondContact CD2-CE1 3.26Å; H137-F174 AromaticContact CD2-CZ 3.87Å; H137-F174 AromaticContact CG-CE1 3.88Å; H137-F174 CarbonylContact O-C 3.12Å; H137-F174 WeakPolarHBondContact O-CA 3.41Å; H137-I175 PolarHBondContact O-N 3.38Å
138	V	98.2	Very high	95.3	Very high	61 Å²	61	58.2 Å²	58.2	37%	0.37	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	127.9	-179.3	-174.4	0	0	0	0	110.1	M131 I175	M131-V138 HydrophobicContact CE-CG2 3.47Å; M131-V138 VanDerWaalsContact CE-CG2 3.47Å; V138-I175 CarbonylContact C-O 3.55Å; V138-I175 WeakPolarHBondContact CA-O 3.28Å; V138-I175 HydrophobicContact CG2-CB 4.29Å; V138-I175 HydrophobicContact CG2-CD1 4.09Å
139	F	97.6	Very high	95.1	Very high	23 Å²	23	63.8 Å²	63.8	10%	0.101	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	105.3	175.9	-62.6	-73.2	0	0	0	110.4	H137 F145 L158 W161 F174 I175 F176 D177	H137-F139 HydrophobicContact CB-CE2 4.14Å; F139-F145 HydrophobicContact CB-CE2 4.2Å; F139-F145 HydrophobicContact CD1-CZ 4.1Å; F139-L158 HydrophobicContact CD2-CD1 4.31Å; F139-L158 HydrophobicContact CE1-CD1 4.26Å; F139-L158 HydrophobicContact CE2-CD1 3.95Å; F139-L158 HydrophobicContact CZ-CD1 3.92Å; F139-W161 AromaticContact CZ-CD1 3.51Å; F139-W161 HydrophobicContact CZ-CG 4.03Å; F139-W161 AromaticContact CZ-NE1 3.76Å; F139-F174 HydrophobicContact CE2-CD1 4.05Å; F139-I175 PolarHBondContact N-O 3.43Å; F139-F176 HydrophobicContact CB-CD1 3.95Å; F139-F176 HydrophobicContact CB-CE1 4.23Å; F139-F176 HydrophobicContact CD2-CD1 4.14Å; F139-F176 AromaticContact CD2-CE1 3.7Å; F139-F176 HydrophobicContact CD2-CE1 3.7Å; F139-F176 AromaticContact CD2-CZ 3.93Å; F139-F176 HydrophobicContact CD2-CZ 3.93Å; F139-F176 HydrophobicContact CE2-CE1 4.39Å; F139-F176 HydrophobicContact CE2-CZ 4.32Å; F139-F176 HydrophobicContact CG-CD1 4.4Å; F139-F176 HydrophobicContact CG-CE1 4.2Å; F139-F176 CarbonylContact O-C 3.57Å; F139-F176 WeakPolarHBondContact O-CA 3.36Å; F139-D177 PolarHBondContact O-N 2.89Å
140	T	96.3	Very high	95	Very high	32 Å²	32	63.5 Å²	63.5	20%	0.196	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	120.7	168.3	-53.5	0	0	0	0	110.6	T142 L143 H144 E178	T140-T142 PolarHBondContact O-N 2.61Å; T140-L143 HydrophobicContact CG2-CB 4.19Å; T140-L143 PolarHBondContact O-N 2.91Å; T140-H144 PolarHBondContact N-ND1 2.85Å; T140-H144 PolarHBondContact O-N 3.28Å; T140-H144 PolarHBondContact O-ND1 2.93Å; T140-H144 VanDerWaalsContact O-ND1 3.13Å; T140-E178 HydrophobicContact CG2-CG 4.4Å
141	S	91.6	Very high	94.8	Very high	4 Å²	4	64.2 Å²	64.2	3%	0.028	33%	0.327	C	S	.	.	H	α-helix	trans	-58.4	-45.1	-172.6	-60.7	0	0	0	0	113.5	L143 F145 D177 E178 M182	S141-L143 VanDerWaalsContact C-N 3.3Å; S141-L143 PolarHBondContact O-N 2.88Å; S141-F145 CarbonylContact O-C 3.58Å; S141-F145 VanDerWaalsContact O-C 3.31Å; S141-F145 WeakPolarHBondContact O-CA 3.34Å; S141-F145 WeakPolarHBondContact O-CB 3.22Å; S141-F145 PolarHBondContact O-N 2.71Å; S141-D177 PolarHBondContact N-O 3.05Å; S141-D177 PolarHBondContact OG-O 3.36Å; S141-E178 PolarHBondContact OG-O 3.23Å; S141-M182 WeakPolarHBondContact OG-CB 3.43Å
142	T	91.1	Very high	94.6	Very high	71 Å²	71	65.2 Å²	65.2	44%	0.436	35%	0.345	S	S	.	.	H	α-helix	trans	-73.5	-19.5	-179.1	50.8	0	0	0	0	114.2	T140 E178 K181	T140-T142 PolarHBondContact O-N 2.61Å; T142-E178 WeakPolarHBondContact CB-OE2 3.27Å; T142-E178 WeakPolarHBondContact CG2-OE2 3.43Å; T142-E178 PolarHBondContact OG1-OE2 3.43Å; T142-K181 HydrophobicContact CG2-CB 4.3Å; T142-K181 HydrophobicContact CG2-CD 3.49Å; T142-K181 VanDerWaalsContact CG2-CD 3.49Å
143	L	93.9	Very high	94.6	Very high	120 Å²	120	60.5 Å²	60.5	63%	0.628	33%	0.328	S	S	*	.	H	α-helix	trans	-91.6	-48.9	178.9	-178.3	63.6	0	0	0	111.6	T140 S141	T140-L143 HydrophobicContact CG2-CB 4.19Å; T140-L143 PolarHBondContact O-N 2.91Å; S141-L143 VanDerWaalsContact C-N 3.3Å; S141-L143 PolarHBondContact O-N 2.88Å
144	H	94.8	Very high	94.5	Very high	80 Å²	80	61.6 Å²	61.6	37%	0.37	33%	0.332	S	S	.	.	H	α-helix	trans	-89.5	-26.2	-173.1	-60.1	104.9	0	0	0	113.1	T140	T140-H144 PolarHBondContact N-ND1 2.85Å; T140-H144 PolarHBondContact O-N 3.28Å; T140-H144 PolarHBondContact O-ND1 2.93Å; T140-H144 VanDerWaalsContact O-ND1 3.13Å
145	F	93.8	Very high	94.5	Very high	25 Å²	25	58.8 Å²	58.8	11%	0.11	32%	0.323	C	S	.	.	S	Bend	trans	-127.3	48.5	-176.4	-44.8	-55.8	0	0	0	113.2	F139 S141 H147 Y154 L158 M182 L186	F139-F145 HydrophobicContact CB-CE2 4.2Å; F139-F145 HydrophobicContact CD1-CZ 4.1Å; S141-F145 CarbonylContact O-C 3.58Å; S141-F145 VanDerWaalsContact O-C 3.31Å; S141-F145 WeakPolarHBondContact O-CA 3.34Å; S141-F145 WeakPolarHBondContact O-CB 3.22Å; S141-F145 PolarHBondContact O-N 2.71Å; F145-H147 PolarHBondContact O-N 2.81Å; F145-Y154 HydrophobicContact CB-CD2 4.02Å; F145-Y154 HydrophobicContact CB-CE2 4.27Å; F145-Y154 HydrophobicContact CD1-CD1 4.24Å; F145-Y154 AromaticContact CD1-CD2 3.98Å; F145-Y154 HydrophobicContact CD1-CD2 3.98Å; F145-Y154 AromaticContact CD1-CG 3.76Å; F145-Y154 HydrophobicContact CD1-CG 3.76Å; F145-Y154 HydrophobicContact CG-CD2 4.47Å; F145-L158 HydrophobicContact CZ-CD1 4.43Å; F145-L158 HydrophobicContact CZ-CD2 4.32Å; F145-M182 HydrophobicContact CD2-CE 4.44Å; F145-M182 HydrophobicContact CE2-CE 4.21Å; F145-L186 HydrophobicContact CB-CD1 3.65Å; F145-L186 HydrophobicContact CD1-CD1 4.09Å; F145-L186 HydrophobicContact CD2-CD1 3.99Å; F145-L186 HydrophobicContact CG-CD1 3.63Å
146	P	92.9	Very high	94.4	Very high	65 Å²	65	61.8 Å²	61.8	42%	0.422	35%	0.346	S	S	.	.			trans	-70.6	-29.7	-170.3	27.6	-35.5	0	0	0	114.4
147	H	92.1	Very high	94.3	Very high	106 Å²	106	66.6 Å²	66.6	49%	0.491	37%	0.368	S	S	.	.			trans	-114.7	120.1	-168.2	-57.8	-55.5	0	0	0	112.6	F145 E149 H150 M151 Y154	F145-H147 PolarHBondContact O-N 2.81Å; H147-E149 PolarHBondContact O-N 2.83Å; H147-H150 PolarHBondContact O-N 2.98Å; H147-M151 WeakPolarHBondContact O-CE 3.41Å; H147-Y154 VanDerWaalsContact O-CE2 3.28Å; H147-Y154 WeakPolarHBondContact O-CE2 3.49Å
148	A	87.4	Confident	94.2	Very high	68 Å²	68	66 Å²	66	56%	0.562	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-62	-24.3	179.2	0	0	0	0	0	113.7	H150 M151	A148-H150 PolarHBondContact O-N 2.81Å; A148-M151 WeakPolarHBondContact O-CB 3.43Å; A148-M151 WeakPolarHBondContact O-CG 3.41Å; A148-M151 PolarHBondContact O-N 3.47Å
149	E	91.6	Very high	94.1	Very high	181 Å²	181	66.4 Å²	66.4	85%	0.846	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-66.3	-26.5	179	-61.8	177.9	-174.2	0	0	112.8	H147	H147-E149 PolarHBondContact O-N 2.83Å
150	H	93.6	Very high	94	Very high	88 Å²	88	71.1 Å²	71.1	41%	0.407	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-97.3	12.7	-177.9	-60.9	-41	0	0	0	113.4	H147 A148 A152 T153 Y154	H147-H150 PolarHBondContact O-N 2.98Å; A148-H150 PolarHBondContact O-N 2.81Å; H150-A152 VanDerWaalsContact C-N 3.27Å; H150-A152 PolarHBondContact O-N 3.41Å; H150-A152 VanDerWaalsContact O-N 3.17Å; H150-T153 WeakPolarHBondContact O-CB 3.17Å; H150-T153 PolarHBondContact O-N 2.81Å; H150-Y154 HydrophobicContact CB-CD1 4.3Å; H150-Y154 HydrophobicContact CB-CD2 4.19Å; H150-Y154 HydrophobicContact CB-CE1 3.79Å; H150-Y154 HydrophobicContact CB-CE2 3.67Å; H150-Y154 HydrophobicContact CB-CG 4.48Å; H150-Y154 VanDerWaalsContact CB-CZ 3.44Å; H150-Y154 PolarHBondContact O-N 3.16Å
151	M	92.6	Very high	94.1	Very high	19 Å²	19	75.8 Å²	75.8	9%	0.094	40%	0.399	C	S	.	.	H	α-helix	trans	-55.5	-37.7	-174.5	-78.3	-61.5	119.6	0	0	113.9	H147 A148 Y154 K155 H183 L186	H147-M151 WeakPolarHBondContact O-CE 3.41Å; A148-M151 WeakPolarHBondContact O-CB 3.43Å; A148-M151 WeakPolarHBondContact O-CG 3.41Å; A148-M151 PolarHBondContact O-N 3.47Å; M151-Y154 HydrophobicContact CE-CD2 3.45Å; M151-Y154 VanDerWaalsContact CE-CD2 3.45Å; M151-Y154 HydrophobicContact CE-CE2 3.82Å; M151-Y154 PolarHBondContact O-N 2.98Å; M151-Y154 HydrophobicContact SD-CD2 4.39Å; M151-K155 WeakPolarHBondContact O-CB 3.43Å; M151-K155 WeakPolarHBondContact O-CG 3.37Å; M151-K155 PolarHBondContact O-N 2.99Å; M151-H183 HydrophobicContact CE-CB 4.2Å; M151-H183 HydrophobicContact SD-CB 3.57Å; M151-H183 VanDerWaalsContact SD-CB 3.57Å; M151-L186 HydrophobicContact CE-CD1 3.93Å; M151-L186 HydrophobicContact SD-CD1 3.59Å; M151-L186 VanDerWaalsContact SD-CD1 3.59Å; M151-L186 HydrophobicContact SD-CG 3.71Å
152	A	94.4	Very high	94.4	Very high	81 Å²	81	75.6 Å²	75.6	67%	0.669	40%	0.398	S	S	*	.	H	α-helix	trans	-61.7	-45.1	177.7	0	0	0	0	0	111.8	H150 S156	H150-A152 VanDerWaalsContact C-N 3.27Å; H150-A152 PolarHBondContact O-N 3.41Å; H150-A152 VanDerWaalsContact O-N 3.17Å; A152-S156 PolarHBondContact O-N 2.91Å
153	T	96.1	Very high	94.6	Very high	72 Å²	72	76.8 Å²	76.8	44%	0.442	39%	0.394	S	S	.	.	H	α-helix	trans	-64.8	-47	177.4	-54.8	0	0	0	0	111.1	H150 K155 S156 Q157	H150-T153 WeakPolarHBondContact O-CB 3.17Å; H150-T153 PolarHBondContact O-N 2.81Å; T153-K155 VanDerWaalsContact C-N 3.35Å; T153-K155 PolarHBondContact O-N 2.82Å; T153-S156 PolarHBondContact O-N 2.79Å; T153-Q157 HydrophobicContact CG2-CG 4.28Å; T153-Q157 WeakPolarHBondContact O-CB 3.36Å; T153-Q157 WeakPolarHBondContact O-CG 3.46Å; T153-Q157 PolarHBondContact O-N 2.86Å
154	Y	96.1	Very high	94.8	Very high	27 Å²	27	72.3 Å²	72.3	11%	0.106	38%	0.377	C	S	.	.	H	α-helix	trans	-62	-41	-180	-62.1	-24	0	0	0	112.5	F145 H147 H150 M151 Q157 L158	F145-Y154 HydrophobicContact CB-CD2 4.02Å; F145-Y154 HydrophobicContact CB-CE2 4.27Å; F145-Y154 HydrophobicContact CD1-CD1 4.24Å; F145-Y154 AromaticContact CD1-CD2 3.98Å; F145-Y154 HydrophobicContact CD1-CD2 3.98Å; F145-Y154 AromaticContact CD1-CG 3.76Å; F145-Y154 HydrophobicContact CD1-CG 3.76Å; F145-Y154 HydrophobicContact CG-CD2 4.47Å; H147-Y154 VanDerWaalsContact O-CE2 3.28Å; H147-Y154 WeakPolarHBondContact O-CE2 3.49Å; H150-Y154 HydrophobicContact CB-CD1 4.3Å; H150-Y154 HydrophobicContact CB-CD2 4.19Å; H150-Y154 HydrophobicContact CB-CE1 3.79Å; H150-Y154 HydrophobicContact CB-CE2 3.67Å; H150-Y154 HydrophobicContact CB-CG 4.48Å; H150-Y154 VanDerWaalsContact CB-CZ 3.44Å; H150-Y154 PolarHBondContact O-N 3.16Å; M151-Y154 HydrophobicContact CE-CD2 3.45Å; M151-Y154 VanDerWaalsContact CE-CD2 3.45Å; M151-Y154 HydrophobicContact CE-CE2 3.82Å; M151-Y154 PolarHBondContact O-N 2.98Å; M151-Y154 HydrophobicContact SD-CD2 4.39Å; Y154-Q157 PolarHBondContact O-N 3.31Å; Y154-L158 WeakPolarHBondContact O-CB 3.43Å; Y154-L158 PolarHBondContact O-N 3.35Å
155	K	95.5	Very high	94.9	Very high	70 Å²	70	70 Å²	70	30%	0.304	37%	0.367	S	S	.	.	H	α-helix	trans	-58.1	-50.4	174	-73.8	176.2	-169.7	-151.5	0	110.9	M151 T153 L158 Q159 G185 L186	M151-K155 WeakPolarHBondContact O-CB 3.43Å; M151-K155 WeakPolarHBondContact O-CG 3.37Å; M151-K155 PolarHBondContact O-N 2.99Å; T153-K155 VanDerWaalsContact C-N 3.35Å; T153-K155 PolarHBondContact O-N 2.82Å; K155-L158 PolarHBondContact O-N 3.44Å; K155-Q159 WeakPolarHBondContact O-CB 3.41Å; K155-Q159 VanDerWaalsContact O-CG 3.25Å; K155-Q159 WeakPolarHBondContact O-CG 3.39Å; K155-Q159 PolarHBondContact O-N 3.36Å; K155-G185 WeakPolarHBondContact CE-O 3.39Å; K155-G185 PolarHBondContact NZ-O 3.33Å; K155-G185 VanDerWaalsContact NZ-O 3.13Å; K155-L186 HydrophobicContact CB-CD2 4.32Å; K155-L186 HydrophobicContact CG-CD2 3.67Å; K155-L186 HydrophobicContact CG-CG 4.4Å
156	S	96.1	Very high	95.1	Very high	76 Å²	76	69 Å²	69	53%	0.531	36%	0.363	S	S	.	.	H	α-helix	trans	-62.2	-45.7	-179	-179.2	0	0	0	0	112.2	A152 T153 Q160	A152-S156 PolarHBondContact O-N 2.91Å; T153-S156 PolarHBondContact O-N 2.79Å; S156-Q160 WeakPolarHBondContact O-CB 3.37Å; S156-Q160 PolarHBondContact O-N 3.42Å
157	Q	96	Very high	95.3	Very high	114 Å²	114	69.9 Å²	69.9	53%	0.533	37%	0.368	S	S	.	.	H	α-helix	trans	-62.7	-45.1	178.1	-73.9	175.6	-18.6	0	0	111.9	T153 Y154 Q160 W161	T153-Q157 HydrophobicContact CG2-CG 4.28Å; T153-Q157 WeakPolarHBondContact O-CB 3.36Å; T153-Q157 WeakPolarHBondContact O-CG 3.46Å; T153-Q157 PolarHBondContact O-N 2.86Å; Y154-Q157 PolarHBondContact O-N 3.31Å; Q157-Q160 PolarHBondContact O-N 3.4Å; Q157-W161 VanDerWaalsContact O-CB 3.28Å; Q157-W161 WeakPolarHBondContact O-CB 3.38Å; Q157-W161 PolarHBondContact O-N 2.92Å
158	L	96.6	Very high	95.4	Very high	3 Å²	3	70.7 Å²	70.7	2%	0.016	38%	0.376	C	S	.	.	H	α-helix	trans	-64.1	-45.7	179.9	180	57.5	0	0	0	111.7	F139 F145 Y154 K155 Q160 W161 V162 F176 M182 L186 I190	F139-L158 HydrophobicContact CD2-CD1 4.31Å; F139-L158 HydrophobicContact CE1-CD1 4.26Å; F139-L158 HydrophobicContact CE2-CD1 3.95Å; F139-L158 HydrophobicContact CZ-CD1 3.92Å; F145-L158 HydrophobicContact CZ-CD1 4.43Å; F145-L158 HydrophobicContact CZ-CD2 4.32Å; Y154-L158 WeakPolarHBondContact O-CB 3.43Å; Y154-L158 PolarHBondContact O-N 3.35Å; K155-L158 PolarHBondContact O-N 3.44Å; L158-Q160 PolarHBondContact O-N 2.99Å; L158-W161 PolarHBondContact O-N 3.01Å; L158-V162 HydrophobicContact CD1-CG2 4.11Å; L158-V162 WeakPolarHBondContact O-CG2 3.46Å; L158-V162 PolarHBondContact O-N 3.46Å; L158-F176 HydrophobicContact CD1-CE1 3.9Å; L158-F176 HydrophobicContact CD1-CZ 4.18Å; L158-F176 HydrophobicContact CD2-CE1 4.12Å; L158-M182 HydrophobicContact CD2-CE 3.93Å; L158-L186 HydrophobicContact CD2-CD2 4.44Å; L158-I190 HydrophobicContact CD2-CG2 3.48Å; L158-I190 VanDerWaalsContact CD2-CG2 3.48Å; L158-I190 HydrophobicContact CG-CG2 3.82Å
159	Q	95.9	Very high	95.9	Very high	70 Å²	70	67.5 Å²	67.5	33%	0.327	35%	0.349	S	S	.	.	H	α-helix	trans	-61	-45.6	176.7	-73.9	178.7	-36	0	0	111.8	K155 W161 R163 S189 Y193	K155-Q159 WeakPolarHBondContact O-CB 3.41Å; K155-Q159 VanDerWaalsContact O-CG 3.25Å; K155-Q159 WeakPolarHBondContact O-CG 3.39Å; K155-Q159 PolarHBondContact O-N 3.36Å; Q159-W161 VanDerWaalsContact C-N 3.33Å; Q159-W161 PolarHBondContact O-N 3.32Å; Q159-R163 VanDerWaalsContact O-CB 3.26Å; Q159-R163 WeakPolarHBondContact O-CB 3.35Å; Q159-R163 PolarHBondContact O-N 2.92Å; Q159-S189 PolarHBondContact NE2-O 3.48Å; Q159-S189 VanDerWaalsContact NE2-O 3.1Å; Q159-Y193 WeakPolarHBondContact CB-OH 3.49Å; Q159-Y193 HydrophobicContact CG-CE2 4.19Å
160	Q	96.3	Very high	96.1	Very high	121 Å²	121	62.5 Å²	62.5	57%	0.565	33%	0.326	S	S	*	.	H	α-helix	trans	-64.4	-39.6	177.7	-174.8	60.6	23.1	0	0	111.6	S156 Q157 L158 G164	S156-Q160 WeakPolarHBondContact O-CB 3.37Å; S156-Q160 PolarHBondContact O-N 3.42Å; Q157-Q160 PolarHBondContact O-N 3.4Å; L158-Q160 PolarHBondContact O-N 2.99Å; Q160-G164 PolarHBondContact O-N 3.47Å
161	W	97.6	Very high	96.2	Very high	131 Å²	131	61 Å²	61	50%	0.496	32%	0.317	S	S	.	.	H	α-helix	trans	-64.4	-49.8	178.3	-171.2	-80.8	0	0	0	112	H137 F139 Q157 L158 Q159 G164 N165	H137-W161 AromaticContact CE1-NE1 3.95Å; H137-W161 AromaticContact CG-NE1 3.65Å; H137-W161 AromaticContact ND1-NE1 3.39Å; H137-W161 PolarHBondContact ND1-NE1 3.2Å; F139-W161 AromaticContact CZ-CD1 3.51Å; F139-W161 HydrophobicContact CZ-CG 4.03Å; F139-W161 AromaticContact CZ-NE1 3.76Å; Q157-W161 VanDerWaalsContact O-CB 3.28Å; Q157-W161 WeakPolarHBondContact O-CB 3.38Å; Q157-W161 PolarHBondContact O-N 2.92Å; L158-W161 PolarHBondContact O-N 3.01Å; Q159-W161 VanDerWaalsContact C-N 3.33Å; Q159-W161 PolarHBondContact O-N 3.32Å; W161-G164 PolarHBondContact O-N 3.31Å; W161-N165 PolarHBondContact NE1-ND2 2.88Å; W161-N165 WeakPolarHBondContact O-CB 3.47Å; W161-N165 PolarHBondContact O-N 3.16Å; W161-N165 PolarHBondContact O-ND2 3.48Å
162	V	97.4	Very high	96.5	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-61.3	-50.7	179.1	171.1	0	0	0	0	109.9	L158 G164 N165 V166 F174 Y193 Y205 F210	L158-V162 HydrophobicContact CD1-CG2 4.11Å; L158-V162 WeakPolarHBondContact O-CG2 3.46Å; L158-V162 PolarHBondContact O-N 3.46Å; V162-G164 PolarHBondContact O-N 3.14Å; V162-N165 PolarHBondContact O-N 3.06Å; V162-V166 HydrophobicContact CG1-CG2 4.47Å; V162-V166 WeakPolarHBondContact O-CB 3.37Å; V162-V166 VanDerWaalsContact O-CG2 3.29Å; V162-V166 WeakPolarHBondContact O-CG2 3.48Å; V162-V166 PolarHBondContact O-N 3.36Å; V162-F174 HydrophobicContact CB-CE1 4.4Å; V162-F174 HydrophobicContact CB-CZ 4.36Å; V162-F174 HydrophobicContact CG1-CE2 4.28Å; V162-F174 HydrophobicContact CG1-CZ 4.16Å; V162-F174 HydrophobicContact CG2-CD1 4.15Å; V162-F174 HydrophobicContact CG2-CE1 3.97Å; V162-F174 HydrophobicContact CG2-CZ 4.35Å; V162-Y193 HydrophobicContact CB-CD2 4.41Å; V162-Y193 HydrophobicContact CB-CE2 4.33Å; V162-Y193 HydrophobicContact CG1-CD1 4.34Å; V162-Y193 HydrophobicContact CG1-CD2 3.8Å; V162-Y193 HydrophobicContact CG1-CE2 4.13Å; V162-Y193 HydrophobicContact CG1-CG 3.93Å; V162-Y205 HydrophobicContact CG1-CD1 4.36Å; V162-Y205 HydrophobicContact CG1-CE1 3.92Å; V162-F210 HydrophobicContact CG1-CZ 4.36Å
163	R	96.8	Very high	96.7	Very high	96 Å²	96	56.3 Å²	56.3	36%	0.362	28%	0.281	S	S	.	.	H	α-helix	trans	-57.9	-47.9	177.9	-179	-177.9	177.5	-165.9	3.2	112	Q159 T167 V203	Q159-R163 VanDerWaalsContact O-CB 3.26Å; Q159-R163 WeakPolarHBondContact O-CB 3.35Å; Q159-R163 PolarHBondContact O-N 2.92Å; R163-T167 WeakPolarHBondContact O-CB 3.32Å; R163-T167 PolarHBondContact O-N 3.31Å; R163-T167 PolarHBondContact O-OG1 2.92Å; R163-V203 HydrophobicContact CG-CG2 4.49Å
164	G	96.8	Very high	96.8	Very high	26 Å²	26	52.9 Å²	52.9	27%	0.268	26%	0.26	S	S	.	.	H	α-helix	trans	-61.9	-46.9	-178	0	0	0	0	0	112.5	Q160 W161 V162 T167 N168	Q160-G164 PolarHBondContact O-N 3.47Å; W161-G164 PolarHBondContact O-N 3.31Å; V162-G164 PolarHBondContact O-N 3.14Å; G164-T167 WeakPolarHBondContact O-CB 3.4Å; G164-T167 PolarHBondContact O-N 3.17Å; G164-N168 PolarHBondContact O-N 3Å; G164-N168 VanDerWaalsContact O-N 3.12Å; G164-N168 PolarHBondContact O-ND2 3.34Å
165	N	97.8	Very high	96.9	Very high	30 Å²	30	51.7 Å²	51.7	16%	0.16	26%	0.255	C	S	.	.	H	α-helix	trans	-70.2	-39.8	-179	-76	-73	0	0	0	112.6	H137 W161 V162 T167 N168 C169 F174	H137-N165 PolarHBondContact CE1-OD1 3.06Å; H137-N165 WeakPolarHBondContact NE2-CB 3.48Å; H137-N165 PolarHBondContact NE2-OD1 3.28Å; W161-N165 PolarHBondContact NE1-ND2 2.88Å; W161-N165 WeakPolarHBondContact O-CB 3.47Å; W161-N165 PolarHBondContact O-N 3.16Å; W161-N165 PolarHBondContact O-ND2 3.48Å; V162-N165 PolarHBondContact O-N 3.06Å; N165-T167 VanDerWaalsContact C-N 3.3Å; N165-T167 PolarHBondContact O-N 3.32Å; N165-N168 WeakPolarHBondContact O-CB 3.36Å; N165-N168 PolarHBondContact O-N 3.1Å; N165-N168 VanDerWaalsContact O-N 3.13Å; N165-C169 PolarHBondContact O-N 3.26Å; N165-F174 HydrophobicContact CB-CE1 4.44Å; N165-F174 HydrophobicContact CB-CZ 4.18Å
166	V	97.4	Very high	97	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.024	24%	0.241	C	C	.	.	H	α-helix	trans	-67.7	-32.7	175.4	178.7	0	0	0	0	111.7	V162 N168 C169 E170 F174 V203 S204 Y205	V162-V166 HydrophobicContact CG1-CG2 4.47Å; V162-V166 WeakPolarHBondContact O-CB 3.37Å; V162-V166 VanDerWaalsContact O-CG2 3.29Å; V162-V166 WeakPolarHBondContact O-CG2 3.48Å; V162-V166 PolarHBondContact O-N 3.36Å; V166-N168 VanDerWaalsContact C-N 3.29Å; V166-N168 PolarHBondContact O-N 2.91Å; V166-C169 WeakPolarHBondContact CA-O 3.39Å; V166-C169 CarbonylContact O-C 3.57Å; V166-C169 PolarHBondContact O-N 3Å; V166-E170 PolarHBondContact O-N 3.34Å; V166-F174 HydrophobicContact CG2-CE2 3.57Å; V166-F174 HydrophobicContact CG2-CZ 3.75Å; V166-V203 HydrophobicContact CB-CG1 4.16Å; V166-V203 HydrophobicContact CG1-CG1 3.63Å; V166-S204 VanDerWaalsContact CG1-O 3.3Å; V166-S204 WeakPolarHBondContact CG1-O 3.4Å; V166-Y205 HydrophobicContact CB-CD1 3.99Å; V166-Y205 HydrophobicContact CB-CE1 3.8Å; V166-Y205 HydrophobicContact CG1-CD1 3.73Å; V166-Y205 HydrophobicContact CG1-CE1 3.9Å; V166-Y205 HydrophobicContact CG1-CG 4.26Å; V166-Y205 HydrophobicContact CG2-CD1 3.77Å; V166-Y205 HydrophobicContact CG2-CE1 3.85Å
167	T	96.5	Very high	97.1	Very high	85 Å²	85	46 Å²	46	52%	0.521	22%	0.222	S	C	.	.	H	α-helix	trans	-62.2	-38.8	171.9	-57	0	0	0	0	111.3	R163 G164 N165 V203	R163-T167 WeakPolarHBondContact O-CB 3.32Å; R163-T167 PolarHBondContact O-N 3.31Å; R163-T167 PolarHBondContact O-OG1 2.92Å; G164-T167 WeakPolarHBondContact O-CB 3.4Å; G164-T167 PolarHBondContact O-N 3.17Å; N165-T167 VanDerWaalsContact C-N 3.3Å; N165-T167 PolarHBondContact O-N 3.32Å; T167-V203 WeakPolarHBondContact OG1-CG2 3.35Å
168	N	95	Very high	96.9	Very high	122 Å²	122	42.5 Å²	42.5	65%	0.652	21%	0.206	S	C	*	.	H	α-helix	trans	-74.6	-36.6	176.8	-67.5	-24.8	0	0	0	112.4	G164 N165 V166	G164-N168 PolarHBondContact O-N 3Å; G164-N168 VanDerWaalsContact O-N 3.12Å; G164-N168 PolarHBondContact O-ND2 3.34Å; N165-N168 WeakPolarHBondContact O-CB 3.36Å; N165-N168 PolarHBondContact O-N 3.1Å; N165-N168 VanDerWaalsContact O-N 3.13Å; V166-N168 VanDerWaalsContact C-N 3.29Å; V166-N168 PolarHBondContact O-N 2.91Å
169	C	97	Very high	96.6	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.014	21%	0.205	C	C	.	.			trans	-151.6	114.2	177.3	-168.2	0	0	0	0	112.3	C56 I61 F135 N165 V166 R171 S172	C56-C169 HydrophobicContact CB-CB 3.53Å; C56-C169 WeakPolarHBondContact CB-SG 3.36Å; C56-C169 WeakPolarHBondContact SG-CA 3.36Å; C56-C169 WeakPolarHBondContact SG-CB 3.33Å; C56-C169 CovalentContact SG-SG 2.04Å; C56-C169 PolarHBondContact SG-SG 3.36Å; I61-C169 WeakPolarHBondContact CD1-SG 3.4Å; F135-C169 HydrophobicContact CD1-CB 3.43Å; F135-C169 VanDerWaalsContact CD1-CB 3.43Å; F135-C169 HydrophobicContact CE1-CB 3.47Å; F135-C169 VanDerWaalsContact CE1-CB 3.47Å; F135-C169 HydrophobicContact CG-CB 4.28Å; F135-C169 HydrophobicContact CZ-CB 4.33Å; N165-C169 PolarHBondContact O-N 3.26Å; V166-C169 WeakPolarHBondContact CA-O 3.39Å; V166-C169 CarbonylContact O-C 3.57Å; V166-C169 PolarHBondContact O-N 3Å; C169-R171 PolarHBondContact O-N 2.89Å; C169-R171 VanDerWaalsContact O-N 3.08Å; C169-S172 PolarHBondContact O-N 3.21Å; C169-S172 VanDerWaalsContact O-N 3.14Å; C169-S172 PolarHBondContact O-OG 3.23Å
170	E	95.7	Very high	96.2	Very high	75 Å²	75	40.6 Å²	40.6	35%	0.35	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-22.2	179.5	60.8	177	-171.1	0	0	113.4	V166 S172 K207 S208	V166-E170 PolarHBondContact O-N 3.34Å; E170-S172 VanDerWaalsContact C-N 3.35Å; E170-K207 HydrophobicContact CB-CB 4.36Å; E170-K207 VanDerWaalsContact CD-NZ 3.34Å; E170-K207 HydrophobicContact CG-CB 4.24Å; E170-K207 HydrophobicContact CG-CD 3.96Å; E170-K207 CarbonylContact O-C 3.57Å; E170-K207 WeakPolarHBondContact OE1-CD 3.32Å; E170-K207 WeakPolarHBondContact OE1-CE 3.25Å; E170-K207 IonicContact OE1-NZ 2.67Å; E170-K207 PolarHBondContact OE1-NZ 3.45Å; E170-K207 VanDerWaalsContact OE2-CD 3.32Å; E170-K207 WeakPolarHBondContact OE2-CD 3.27Å; E170-K207 IonicContact OE2-NZ 3.3Å; E170-K207 PolarHBondContact OE2-NZ 3.48Å; E170-S208 WeakPolarHBondContact O-CA 3.38Å; E170-S208 PolarHBondContact O-N 2.92Å; E170-S208 VanDerWaalsContact O-N 3.08Å; E170-S208 PolarHBondContact O-OG 2.93Å
171	R	97.1	Very high	95.9	Very high	58 Å²	58	40.1 Å²	40.1	22%	0.219	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	31.4	177.7	-68.2	-170.2	177.4	-90.6	5.3	113	I61 M94 Y127 C169 K207	I61-R171 HydrophobicContact CD1-CB 4.3Å; I61-R171 HydrophobicContact CG2-CB 4.29Å; M94-R171 VanDerWaalsContact CE-NH1 3.34Å; M94-R171 PolarHBondContact SD-NH1 2.96Å; Y127-R171 WeakPolarHBondContact CE1-O 3.45Å; Y127-R171 PolarHBondContact OH-O 2.85Å; C169-R171 PolarHBondContact O-N 2.89Å; C169-R171 VanDerWaalsContact O-N 3.08Å; R171-K207 HydrophobicContact CG-CB 4.16Å
172	S	98.3	Very high	95.5	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.171	C	C	.	.			trans	-69.2	146.9	169.4	-74.4	0	0	0	0	112.4	F135 C169 E170 S208 I209	F135-S172 CarbonylContact O-C 3.57Å; F135-S172 WeakPolarHBondContact O-CA 3.42Å; C169-S172 PolarHBondContact O-N 3.21Å; C169-S172 VanDerWaalsContact O-N 3.14Å; C169-S172 PolarHBondContact O-OG 3.23Å; E170-S172 VanDerWaalsContact C-N 3.35Å; S172-S208 VanDerWaalsContact O-CA 3.28Å; S172-S208 WeakPolarHBondContact O-CA 3.39Å; S172-S208 WeakPolarHBondContact O-CB 3.47Å; S172-I209 PolarHBondContact O-N 2.79Å
173	M	98.8	Very high	95	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	132.9	174.1	179.6	-175.5	-68.7	0	0	110.2	I122 A123 Y127 F135 V136 H137 I175 I209 I211	I122-M173 HydrophobicContact CB-CE 4.47Å; I122-M173 HydrophobicContact CG2-CE 3.6Å; A123-M173 HydrophobicContact CB-SD 4.22Å; Y127-M173 HydrophobicContact CE2-CB 3.94Å; Y127-M173 HydrophobicContact CE2-CE 3.77Å; Y127-M173 HydrophobicContact CE2-SD 4.3Å; Y127-M173 VanDerWaalsContact OH-CB 3.32Å; Y127-M173 WeakPolarHBondContact OH-CB 3.36Å; Y127-M173 PolarHBondContact OH-N 3.34Å; F135-M173 PolarHBondContact O-N 2.85Å; V136-M173 HydrophobicContact CG1-SD 4.49Å; V136-M173 HydrophobicContact CG2-CB 4.37Å; H137-M173 PolarHBondContact N-O 3.16Å; M173-I175 HydrophobicContact CG-CG1 4.23Å; M173-I175 HydrophobicContact SD-CD1 4.11Å; M173-I175 HydrophobicContact SD-CG1 4.27Å; M173-I209 CarbonylContact C-O 3.44Å; M173-I209 VanDerWaalsContact CA-O 3.29Å; M173-I209 WeakPolarHBondContact CA-O 3.42Å; M173-I209 HydrophobicContact CB-CB 4.34Å; M173-I209 HydrophobicContact CE-CB 4.36Å; M173-I209 HydrophobicContact CE-CD1 3.94Å; M173-I209 HydrophobicContact CE-CG2 4.25Å; M173-I209 HydrophobicContact CG-CB 4.16Å; M173-I209 HydrophobicContact CG-CG2 4.3Å; M173-I211 HydrophobicContact CE-CD1 4.44Å; M173-I211 HydrophobicContact CG-CD1 4.43Å; M173-I211 HydrophobicContact SD-CD1 3.97Å
174	F	98.7	Very high	94.5	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	120	177.9	-58.1	-83.1	0	0	0	109.9	H137 F139 V162 N165 V166 F176 I209 F210 I211	H137-F174 HydrophobicContact CB-CD1 3.74Å; H137-F174 HydrophobicContact CB-CE1 4.09Å; H137-F174 AromaticContact CD2-CD1 3.72Å; H137-F174 AromaticContact CD2-CE1 3.31Å; H137-F174 WeakPolarHBondContact CD2-CE1 3.26Å; H137-F174 AromaticContact CD2-CZ 3.87Å; H137-F174 AromaticContact CG-CE1 3.88Å; H137-F174 CarbonylContact O-C 3.12Å; H137-F174 WeakPolarHBondContact O-CA 3.41Å; F139-F174 HydrophobicContact CE2-CD1 4.05Å; V162-F174 HydrophobicContact CB-CE1 4.4Å; V162-F174 HydrophobicContact CB-CZ 4.36Å; V162-F174 HydrophobicContact CG1-CE2 4.28Å; V162-F174 HydrophobicContact CG1-CZ 4.16Å; V162-F174 HydrophobicContact CG2-CD1 4.15Å; V162-F174 HydrophobicContact CG2-CE1 3.97Å; V162-F174 HydrophobicContact CG2-CZ 4.35Å; N165-F174 HydrophobicContact CB-CE1 4.44Å; N165-F174 HydrophobicContact CB-CZ 4.18Å; V166-F174 HydrophobicContact CG2-CE2 3.57Å; V166-F174 HydrophobicContact CG2-CZ 3.75Å; F174-F176 HydrophobicContact CB-CD2 4.42Å; F174-F176 HydrophobicContact CB-CE2 3.67Å; F174-F176 HydrophobicContact CB-CZ 4.35Å; F174-I209 PolarHBondContact N-O 2.88Å; F174-F210 HydrophobicContact CB-CD1 3.86Å; F174-F210 HydrophobicContact CB-CE1 4.01Å; F174-F210 HydrophobicContact CD2-CD1 4.14Å; F174-F210 AromaticContact CD2-CE1 3.6Å; F174-F210 HydrophobicContact CD2-CE1 3.6Å; F174-F210 HydrophobicContact CD2-CE2 4.33Å; F174-F210 AromaticContact CD2-CZ 3.72Å; F174-F210 HydrophobicContact CD2-CZ 3.72Å; F174-F210 HydrophobicContact CE2-CE1 4.39Å; F174-F210 HydrophobicContact CE2-CZ 4.17Å; F174-F210 HydrophobicContact CG-CD1 4.33Å; F174-F210 AromaticContact CG-CE1 3.99Å; F174-F210 HydrophobicContact CG-CE1 3.99Å; F174-F210 CarbonylContact O-C 3.19Å; F174-F210 WeakPolarHBondContact O-CA 3.4Å; F174-I211 PolarHBondContact O-N 3.3Å
175	I	98.7	Very high	94	Very high	2 Å²	2	34 Å²	34	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	118.1	179.5	-58.9	163	0	0	0	107.7	M131 V136 H137 V138 F139 M173 I211 L213	M131-I175 HydrophobicContact CE-CD1 3.84Å; M131-I175 HydrophobicContact SD-CD1 4.08Å; V136-I175 HydrophobicContact CG1-CD1 4.01Å; H137-I175 PolarHBondContact O-N 3.38Å; V138-I175 CarbonylContact C-O 3.55Å; V138-I175 WeakPolarHBondContact CA-O 3.28Å; V138-I175 HydrophobicContact CG2-CB 4.29Å; V138-I175 HydrophobicContact CG2-CD1 4.09Å; F139-I175 PolarHBondContact N-O 3.43Å; M173-I175 HydrophobicContact CG-CG1 4.23Å; M173-I175 HydrophobicContact SD-CD1 4.11Å; M173-I175 HydrophobicContact SD-CG1 4.27Å; I175-I211 CarbonylContact C-O 3.43Å; I175-I211 WeakPolarHBondContact CA-O 3.35Å; I175-I211 HydrophobicContact CG1-CB 4.23Å; I175-I211 HydrophobicContact CG1-CD1 4.35Å; I175-L213 HydrophobicContact CG2-CD1 3.79Å; I175-L213 HydrophobicContact CG2-CG 4.17Å
176	F	97.5	Very high	93.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	108.5	175.7	-62.8	-97.1	0	0	0	109.2	F139 L158 F174 M179 M182 I190 F210 I211 F212 L213	F139-F176 HydrophobicContact CB-CD1 3.95Å; F139-F176 HydrophobicContact CB-CE1 4.23Å; F139-F176 HydrophobicContact CD2-CD1 4.14Å; F139-F176 AromaticContact CD2-CE1 3.7Å; F139-F176 HydrophobicContact CD2-CE1 3.7Å; F139-F176 AromaticContact CD2-CZ 3.93Å; F139-F176 HydrophobicContact CD2-CZ 3.93Å; F139-F176 HydrophobicContact CE2-CE1 4.39Å; F139-F176 HydrophobicContact CE2-CZ 4.32Å; F139-F176 HydrophobicContact CG-CD1 4.4Å; F139-F176 HydrophobicContact CG-CE1 4.2Å; F139-F176 CarbonylContact O-C 3.57Å; F139-F176 WeakPolarHBondContact O-CA 3.36Å; L158-F176 HydrophobicContact CD1-CE1 3.9Å; L158-F176 HydrophobicContact CD1-CZ 4.18Å; L158-F176 HydrophobicContact CD2-CE1 4.12Å; F174-F176 HydrophobicContact CB-CD2 4.42Å; F174-F176 HydrophobicContact CB-CE2 3.67Å; F174-F176 HydrophobicContact CB-CZ 4.35Å; F176-M179 HydrophobicContact CB-SD 3.93Å; F176-M182 HydrophobicContact CD1-CE 4.08Å; F176-M182 HydrophobicContact CD1-SD 4.19Å; F176-M182 HydrophobicContact CE1-CE 4.24Å; F176-I190 HydrophobicContact CE1-CD1 4.27Å; F176-I190 HydrophobicContact CE2-CD1 4.29Å; F176-I190 HydrophobicContact CZ-CD1 4.08Å; F176-I190 HydrophobicContact CZ-CG2 4.4Å; F176-F210 AromaticContact CE2-CD1 3.99Å; F176-F210 HydrophobicContact CE2-CD1 3.99Å; F176-F210 HydrophobicContact CE2-CE1 4.47Å; F176-I211 PolarHBondContact N-O 2.79Å; F176-F212 HydrophobicContact CB-CD1 3.94Å; F176-F212 HydrophobicContact CB-CE1 4.5Å; F176-F212 AromaticContact CD2-CD1 3.75Å; F176-F212 HydrophobicContact CD2-CD1 3.75Å; F176-F212 AromaticContact CD2-CE1 3.56Å; F176-F212 HydrophobicContact CD2-CE1 3.56Å; F176-F212 HydrophobicContact CE2-CE1 4.1Å; F176-F212 HydrophobicContact CG-CD1 4.15Å; F176-F212 HydrophobicContact CG-CE1 4.22Å; F176-L213 PolarHBondContact O-N 3.32Å
177	D	96.4	Very high	93.2	Very high	27 Å²	27	32.4 Å²	32.4	14%	0.144	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	149.6	179.8	-163.1	11.8	0	0	0	111.7	N116 F139 S141 M179 L213	N116-D177 PolarHBondContact ND2-OD2 3.49Å; F139-D177 PolarHBondContact O-N 2.89Å; S141-D177 PolarHBondContact N-O 3.05Å; S141-D177 PolarHBondContact OG-O 3.36Å; D177-M179 VanDerWaalsContact C-N 3.28Å; D177-M179 PolarHBondContact O-N 3.14Å; D177-L213 HydrophobicContact CB-CD1 4.25Å
178	E	93	Very high	92.7	Very high	41 Å²	41	31.8 Å²	31.8	19%	0.192	16%	0.157	C	C	.	.	S	Bend	trans	53.2	44.4	-173.9	-52.1	-164	130.6	0	0	113.1	T140 S141 T142 D180 K181 M182 L213	T140-E178 HydrophobicContact CG2-CG 4.4Å; S141-E178 PolarHBondContact OG-O 3.23Å; T142-E178 WeakPolarHBondContact CB-OE2 3.27Å; T142-E178 WeakPolarHBondContact CG2-OE2 3.43Å; T142-E178 PolarHBondContact OG1-OE2 3.43Å; E178-D180 PolarHBondContact O-N 3.2Å; E178-D180 VanDerWaalsContact O-N 3.15Å; E178-K181 HydrophobicContact CB-CD 4.12Å; E178-K181 HydrophobicContact CB-CG 4.43Å; E178-K181 WeakPolarHBondContact O-CB 3.4Å; E178-K181 PolarHBondContact O-N 2.77Å; E178-K181 IonicContact OE1-NZ 2.74Å; E178-K181 PolarHBondContact OE1-NZ 3.14Å; E178-K181 IonicContact OE2-NZ 3.22Å; E178-K181 PolarHBondContact OE2-NZ 3.22Å; E178-M182 PolarHBondContact O-N 2.93Å; E178-L213 PolarHBondContact N-O 3.36Å
179	M	90.3	Very high	92.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-59.9	-26.5	-175.8	-168.5	70.7	175.1	0	0	113.1	F176 D177 K181 M182 I187 I190 F212 L213 F259 L264	F176-M179 HydrophobicContact CB-SD 3.93Å; D177-M179 VanDerWaalsContact C-N 3.28Å; D177-M179 PolarHBondContact O-N 3.14Å; M179-K181 PolarHBondContact O-N 2.82Å; M179-M182 HydrophobicContact CE-SD 3.95Å; M179-M182 WeakPolarHBondContact O-CB 3.47Å; M179-M182 PolarHBondContact O-N 3.2Å; M179-M182 VanDerWaalsContact O-N 3.11Å; M179-M182 HydrophobicContact SD-CB 4.12Å; M179-M182 HydrophobicContact SD-CG 4.39Å; M179-M182 HydrophobicContact SD-SD 3.35Å; M179-I187 HydrophobicContact CE-CB 4.14Å; M179-I187 HydrophobicContact CE-CD1 3.77Å; M179-I187 HydrophobicContact CE-CG1 3.54Å; M179-I187 HydrophobicContact CE-CG2 3.66Å; M179-I187 HydrophobicContact SD-CG1 4.44Å; M179-I190 HydrophobicContact CE-CD1 4.4Å; M179-F212 HydrophobicContact CE-CD1 4.34Å; M179-F212 HydrophobicContact CE-CE1 4.45Å; M179-F212 HydrophobicContact CE-CG 4.43Å; M179-F212 HydrophobicContact CG-CB 4.24Å; M179-F212 HydrophobicContact SD-CD1 4.39Å; M179-L213 WeakPolarHBondContact CB-O 3.31Å; M179-L213 PolarHBondContact N-O 3.32Å; M179-F259 HydrophobicContact CB-CD2 4.47Å; M179-F259 HydrophobicContact CE-CD2 4.12Å; M179-F259 HydrophobicContact CE-CE2 3.83Å; M179-F259 HydrophobicContact CG-CD2 3.46Å; M179-F259 VanDerWaalsContact CG-CD2 3.46Å; M179-F259 HydrophobicContact CG-CE2 3.5Å; M179-F259 VanDerWaalsContact CG-CE2 3.5Å; M179-L264 HydrophobicContact CE-CD1 4.32Å
180	D	86.7	Confident	92.2	Very high	32 Å²	32	26.2 Å²	26.2	17%	0.171	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-61.7	-24.3	172.4	40.9	-63.5	0	0	0	113.6	E178 S214 N215 A216 G258	E178-D180 PolarHBondContact O-N 3.2Å; E178-D180 VanDerWaalsContact O-N 3.15Å; D180-S214 VanDerWaalsContact CB-OG 3.24Å; D180-S214 WeakPolarHBondContact CB-OG 3.2Å; D180-S214 PolarHBondContact N-OG 2.66Å; D180-S214 VanDerWaalsContact OD1-CA 3.25Å; D180-S214 WeakPolarHBondContact OD1-CA 3.35Å; D180-S214 PolarHBondContact OD1-OG 3Å; D180-N215 PolarHBondContact OD1-N 3.1Å; D180-A216 HydrophobicContact CB-CB 4.18Å; D180-G258 PolarHBondContact O-N 2.87Å; D180-G258 VanDerWaalsContact O-N 3.08Å
181	K	89.7	Confident	92	Very high	111 Å²	111	23.7 Å²	23.7	48%	0.483	12%	0.116	S	C	.	.	G	3₁₀ helix	trans	-97.9	-4.3	177.9	-53.9	179.1	-170.4	167.1	0	112.5	T142 E178 M179	T142-K181 HydrophobicContact CG2-CB 4.3Å; T142-K181 HydrophobicContact CG2-CD 3.49Å; T142-K181 VanDerWaalsContact CG2-CD 3.49Å; E178-K181 HydrophobicContact CB-CD 4.12Å; E178-K181 HydrophobicContact CB-CG 4.43Å; E178-K181 WeakPolarHBondContact O-CB 3.4Å; E178-K181 PolarHBondContact O-N 2.77Å; E178-K181 IonicContact OE1-NZ 2.74Å; E178-K181 PolarHBondContact OE1-NZ 3.14Å; E178-K181 IonicContact OE2-NZ 3.22Å; E178-K181 PolarHBondContact OE2-NZ 3.22Å; M179-K181 PolarHBondContact O-N 2.82Å
182	M	89.1	Confident	91.7	Very high	3 Å²	3	23.2 Å²	23.2	2%	0.015	12%	0.12	C	C	.	.	S	Bend	trans	-72.9	134.2	-179.6	-167	168	-179	0	0	110.4	S141 F145 L158 F176 E178 M179 L186 I187	S141-M182 WeakPolarHBondContact OG-CB 3.43Å; F145-M182 HydrophobicContact CD2-CE 4.44Å; F145-M182 HydrophobicContact CE2-CE 4.21Å; L158-M182 HydrophobicContact CD2-CE 3.93Å; F176-M182 HydrophobicContact CD1-CE 4.08Å; F176-M182 HydrophobicContact CD1-SD 4.19Å; F176-M182 HydrophobicContact CE1-CE 4.24Å; E178-M182 PolarHBondContact O-N 2.93Å; M179-M182 HydrophobicContact CE-SD 3.95Å; M179-M182 WeakPolarHBondContact O-CB 3.47Å; M179-M182 PolarHBondContact O-N 3.2Å; M179-M182 VanDerWaalsContact O-N 3.11Å; M179-M182 HydrophobicContact SD-CB 4.12Å; M179-M182 HydrophobicContact SD-CG 4.39Å; M179-M182 HydrophobicContact SD-SD 3.35Å; M182-L186 HydrophobicContact CE-CB 3.52Å; M182-L186 HydrophobicContact CE-CD1 4.41Å; M182-L186 HydrophobicContact CE-CG 4.5Å; M182-L186 HydrophobicContact CG-CB 4.22Å; M182-I187 HydrophobicContact CB-CD1 4.16Å; M182-I187 HydrophobicContact CB-CG1 4.14Å; M182-I187 HydrophobicContact CG-CD1 4.43Å; M182-I187 HydrophobicContact CG-CG1 3.87Å; M182-I187 HydrophobicContact SD-CG1 3.96Å
183	H	88.3	Confident	91.5	Very high	85 Å²	85	23.8 Å²	23.8	39%	0.394	12%	0.122	S	C	.	.			trans	-63.3	131.6	179.2	-171.9	-78	0	0	0	110.6	M151 G185 L186 I187	M151-H183 HydrophobicContact CE-CB 4.2Å; M151-H183 HydrophobicContact SD-CB 3.57Å; M151-H183 VanDerWaalsContact SD-CB 3.57Å; H183-G185 VanDerWaalsContact C-N 3.25Å; H183-G185 PolarHBondContact ND1-N 2.86Å; H183-G185 VanDerWaalsContact ND1-N 3.11Å; H183-G185 PolarHBondContact O-N 3.29Å; H183-G185 VanDerWaalsContact O-N 3.11Å; H183-L186 HydrophobicContact CB-CD1 4.39Å; H183-L186 WeakPolarHBondContact O-CB 3.33Å; H183-L186 PolarHBondContact O-N 3.5Å; H183-I187 PolarHBondContact O-N 3.41Å
184	P	85.3	Confident	91.3	Very high	31 Å²	31	23.8 Å²	23.8	20%	0.201	12%	0.122	C	C	.	.	H	α-helix	trans	-52.7	-40.7	-176	-28.7	34.2	0	0	0	113.8	L186 I187 D188 H261 T262	P184-L186 PolarHBondContact O-N 2.94Å; P184-I187 CarbonylContact O-C 3.41Å; P184-I187 WeakPolarHBondContact O-CA 3.44Å; P184-I187 WeakPolarHBondContact O-CB 3.49Å; P184-I187 PolarHBondContact O-N 2.98Å; P184-D188 VanDerWaalsContact O-CG 3.31Å; P184-D188 PolarHBondContact O-N 3.48Å; P184-H261 HydrophobicContact CB-CB 3.93Å; P184-H261 HydrophobicContact CG-CB 3.88Å; P184-T262 HydrophobicContact CB-CG2 4.18Å
185	G	86.5	Confident	90.9	Very high	6 Å²	6	25.4 Å²	25.4	6%	0.062	13%	0.131	C	C	.	.	H	α-helix	trans	-61.5	-25.5	177.2	0	0	0	0	0	115.2	K155 H183 S189	K155-G185 WeakPolarHBondContact CE-O 3.39Å; K155-G185 PolarHBondContact NZ-O 3.33Å; K155-G185 VanDerWaalsContact NZ-O 3.13Å; H183-G185 VanDerWaalsContact C-N 3.25Å; H183-G185 PolarHBondContact ND1-N 2.86Å; H183-G185 VanDerWaalsContact ND1-N 3.11Å; H183-G185 PolarHBondContact O-N 3.29Å; H183-G185 VanDerWaalsContact O-N 3.11Å; G185-S189 PolarHBondContact O-N 3.39Å
186	L	90.1	Very high	90.5	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-77	-40.4	172	-77.6	168.4	0	0	0	110.8	F145 M151 K155 L158 M182 H183 P184 D188 S189 I190	F145-L186 HydrophobicContact CB-CD1 3.65Å; F145-L186 HydrophobicContact CD1-CD1 4.09Å; F145-L186 HydrophobicContact CD2-CD1 3.99Å; F145-L186 HydrophobicContact CG-CD1 3.63Å; M151-L186 HydrophobicContact CE-CD1 3.93Å; M151-L186 HydrophobicContact SD-CD1 3.59Å; M151-L186 VanDerWaalsContact SD-CD1 3.59Å; M151-L186 HydrophobicContact SD-CG 3.71Å; K155-L186 HydrophobicContact CB-CD2 4.32Å; K155-L186 HydrophobicContact CG-CD2 3.67Å; K155-L186 HydrophobicContact CG-CG 4.4Å; L158-L186 HydrophobicContact CD2-CD2 4.44Å; M182-L186 HydrophobicContact CE-CB 3.52Å; M182-L186 HydrophobicContact CE-CD1 4.41Å; M182-L186 HydrophobicContact CE-CG 4.5Å; M182-L186 HydrophobicContact CG-CB 4.22Å; H183-L186 HydrophobicContact CB-CD1 4.39Å; H183-L186 WeakPolarHBondContact O-CB 3.33Å; H183-L186 PolarHBondContact O-N 3.5Å; P184-L186 PolarHBondContact O-N 2.94Å; L186-D188 VanDerWaalsContact C-N 3.27Å; L186-D188 PolarHBondContact O-N 3.47Å; L186-S189 WeakPolarHBondContact O-CB 3.34Å; L186-S189 PolarHBondContact O-N 3.1Å; L186-S189 PolarHBondContact O-OG 3.18Å; L186-I190 PolarHBondContact O-N 2.8Å
187	I	88.3	Confident	90.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-59.5	-43.8	174.2	-53.2	176.1	0	0	0	109.7	M179 M182 H183 P184 S189 I190 K191 G258 T262 L264	M179-I187 HydrophobicContact CE-CB 4.14Å; M179-I187 HydrophobicContact CE-CD1 3.77Å; M179-I187 HydrophobicContact CE-CG1 3.54Å; M179-I187 HydrophobicContact CE-CG2 3.66Å; M179-I187 HydrophobicContact SD-CG1 4.44Å; M182-I187 HydrophobicContact CB-CD1 4.16Å; M182-I187 HydrophobicContact CB-CG1 4.14Å; M182-I187 HydrophobicContact CG-CD1 4.43Å; M182-I187 HydrophobicContact CG-CG1 3.87Å; M182-I187 HydrophobicContact SD-CG1 3.96Å; H183-I187 PolarHBondContact O-N 3.41Å; P184-I187 CarbonylContact O-C 3.41Å; P184-I187 WeakPolarHBondContact O-CA 3.44Å; P184-I187 WeakPolarHBondContact O-CB 3.49Å; P184-I187 PolarHBondContact O-N 2.98Å; I187-S189 PolarHBondContact O-N 2.86Å; I187-I190 WeakPolarHBondContact O-CG1 3.4Å; I187-I190 PolarHBondContact O-N 2.85Å; I187-I190 VanDerWaalsContact O-N 3.16Å; I187-K191 WeakPolarHBondContact O-CG 3.41Å; I187-K191 PolarHBondContact O-N 3.27Å; I187-G258 WeakPolarHBondContact CD1-O 3.48Å; I187-T262 HydrophobicContact CB-CG2 3.56Å; I187-T262 HydrophobicContact CD1-CG2 3.74Å; I187-T262 HydrophobicContact CG1-CG2 4.2Å; I187-T262 HydrophobicContact CG2-CG2 3.53Å; I187-L264 HydrophobicContact CG2-CD1 3.25Å; I187-L264 HydrophobicContact CG2-CD2 4.44Å; I187-L264 HydrophobicContact CG2-CG 3.78Å
188	D	85.9	Confident	89.8	Confident	71 Å²	71	40.6 Å²	40.6	38%	0.38	20%	0.196	S	C	.	.	H	α-helix	trans	-54.7	-37.3	173.3	-67.7	-26.5	0	0	0	113.1	P184 L186 I190 K191	P184-D188 VanDerWaalsContact O-CG 3.31Å; P184-D188 PolarHBondContact O-N 3.48Å; L186-D188 VanDerWaalsContact C-N 3.27Å; L186-D188 PolarHBondContact O-N 3.47Å; D188-I190 VanDerWaalsContact C-N 3.28Å; D188-I190 PolarHBondContact O-N 3.36Å; D188-K191 PolarHBondContact O-N 2.87Å; D188-K191 WeakPolarHBondContact OD1-CE 3.46Å; D188-K191 IonicContact OD1-NZ 3.41Å; D188-K191 PolarHBondContact OD1-NZ 3.08Å
189	S	90.9	Very high	89.8	Confident	8 Å²	8	45.5 Å²	45.5	6%	0.056	22%	0.216	C	C	.	.	H	α-helix	trans	-69.7	-23.8	-177.5	78.5	0	0	0	0	113.7	Q159 G185 L186 I187	Q159-S189 PolarHBondContact NE2-O 3.48Å; Q159-S189 VanDerWaalsContact NE2-O 3.1Å; G185-S189 PolarHBondContact O-N 3.39Å; L186-S189 WeakPolarHBondContact O-CB 3.34Å; L186-S189 PolarHBondContact O-N 3.1Å; L186-S189 PolarHBondContact O-OG 3.18Å; I187-S189 PolarHBondContact O-N 2.86Å
190	I	91.6	Very high	89.8	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-96.1	-15.3	178.7	61.8	167.2	0	0	0	113.6	L158 F176 M179 L186 I187 D188 P192 Y193 F212	L158-I190 HydrophobicContact CD2-CG2 3.48Å; L158-I190 VanDerWaalsContact CD2-CG2 3.48Å; L158-I190 HydrophobicContact CG-CG2 3.82Å; F176-I190 HydrophobicContact CE1-CD1 4.27Å; F176-I190 HydrophobicContact CE2-CD1 4.29Å; F176-I190 HydrophobicContact CZ-CD1 4.08Å; F176-I190 HydrophobicContact CZ-CG2 4.4Å; M179-I190 HydrophobicContact CE-CD1 4.4Å; L186-I190 PolarHBondContact O-N 2.8Å; I187-I190 WeakPolarHBondContact O-CG1 3.4Å; I187-I190 PolarHBondContact O-N 2.85Å; I187-I190 VanDerWaalsContact O-N 3.16Å; D188-I190 VanDerWaalsContact C-N 3.28Å; D188-I190 PolarHBondContact O-N 3.36Å; I190-P192 VanDerWaalsContact C-N 3.34Å; I190-Y193 HydrophobicContact CB-CD2 4.22Å; I190-Y193 WeakPolarHBondContact O-CB 3.2Å; I190-Y193 WeakPolarHBondContact O-CD2 3.18Å; I190-Y193 PolarHBondContact O-N 2.65Å; I190-F212 HydrophobicContact CD1-CE1 4.13Å; I190-F212 HydrophobicContact CD1-CZ 4.21Å
191	K	90	Very high	89.9	Confident	22 Å²	22	50.9 Å²	50.9	10%	0.096	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-48.9	-44.7	-179.2	-64	-174.3	174.6	163.9	0	114.6	I187 D188 Y193 L194 S263 L264 L269	I187-K191 WeakPolarHBondContact O-CG 3.41Å; I187-K191 PolarHBondContact O-N 3.27Å; D188-K191 PolarHBondContact O-N 2.87Å; D188-K191 WeakPolarHBondContact OD1-CE 3.46Å; D188-K191 IonicContact OD1-NZ 3.41Å; D188-K191 PolarHBondContact OD1-NZ 3.08Å; K191-Y193 PolarHBondContact O-N 3.49Å; K191-Y193 VanDerWaalsContact O-N 3.12Å; K191-L194 PolarHBondContact O-N 3.19Å; K191-S263 PolarHBondContact NZ-OG 3.31Å; K191-L264 HydrophobicContact CB-CD2 4.5Å; K191-L264 HydrophobicContact CD-CD2 4.39Å; K191-L264 HydrophobicContact CG-CD2 3.7Å; K191-L264 HydrophobicContact CG-CG 4.31Å; K191-L269 HydrophobicContact CB-CD1 4.11Å; K191-L269 HydrophobicContact CG-CD1 4.4Å
192	P	92.1	Very high	90.1	Very high	47 Å²	47	48.3 Å²	48.3	31%	0.305	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-59.7	-26.6	-177.5	-24.4	35.9	0	0	0	113.4	I190 L194 L200	I190-P192 VanDerWaalsContact C-N 3.34Å; P192-L194 VanDerWaalsContact C-N 3.3Å; P192-L200 HydrophobicContact CB-CD1 3.9Å; P192-L200 HydrophobicContact CB-CD2 4.01Å
193	Y	94.1	Very high	90.4	Very high	13 Å²	13	49 Å²	49	5%	0.051	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-77.9	-15.2	179.5	-50.4	-56.8	0	0	0	113.3	P102 Q159 V162 I190 K191 L200 Y205	P102-Y193 WeakPolarHBondContact CG-O 3.32Å; Q159-Y193 WeakPolarHBondContact CB-OH 3.49Å; Q159-Y193 HydrophobicContact CG-CE2 4.19Å; V162-Y193 HydrophobicContact CB-CD2 4.41Å; V162-Y193 HydrophobicContact CB-CE2 4.33Å; V162-Y193 HydrophobicContact CG1-CD1 4.34Å; V162-Y193 HydrophobicContact CG1-CD2 3.8Å; V162-Y193 HydrophobicContact CG1-CE2 4.13Å; V162-Y193 HydrophobicContact CG1-CG 3.93Å; I190-Y193 HydrophobicContact CB-CD2 4.22Å; I190-Y193 WeakPolarHBondContact O-CB 3.2Å; I190-Y193 WeakPolarHBondContact O-CD2 3.18Å; I190-Y193 PolarHBondContact O-N 2.65Å; K191-Y193 PolarHBondContact O-N 3.49Å; K191-Y193 VanDerWaalsContact O-N 3.12Å; Y193-L200 HydrophobicContact CD1-CD2 3.61Å; Y193-L200 HydrophobicContact CE1-CD2 3.37Å; Y193-Y205 AromaticContact CD1-CD1 3.86Å; Y193-Y205 HydrophobicContact CD1-CD1 3.86Å; Y193-Y205 HydrophobicContact CD1-CD2 4.19Å; Y193-Y205 AromaticContact CD1-CE1 3.42Å; Y193-Y205 HydrophobicContact CD1-CE1 3.42Å; Y193-Y205 VanDerWaalsContact CD1-CE1 3.42Å; Y193-Y205 AromaticContact CD1-CE2 3.81Å; Y193-Y205 HydrophobicContact CD1-CE2 3.81Å; Y193-Y205 HydrophobicContact CD1-CG 4.24Å; Y193-Y205 AromaticContact CD1-CZ 3.38Å; Y193-Y205 AromaticContact CE1-CE1 3.96Å; Y193-Y205 HydrophobicContact CE1-CE1 3.96Å; Y193-Y205 HydrophobicContact CE1-CE2 4.27Å; Y193-Y205 AromaticContact CE1-CZ 3.65Å; Y193-Y205 WeakPolarHBondContact CE1-OH 3.3Å; Y193-Y205 HydrophobicContact CG-CD1 4.22Å; Y193-Y205 HydrophobicContact CG-CE1 4.09Å
194	L	93.9	Very high	90.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-96.9	-10.6	-176.4	-51.5	175.3	0	0	0	113	V104 K191 P192 F210 F212 L264 L269	V104-L194 HydrophobicContact CG2-CB 4.22Å; V104-L194 HydrophobicContact CG2-CD2 3.92Å; K191-L194 PolarHBondContact O-N 3.19Å; P192-L194 VanDerWaalsContact C-N 3.3Å; L194-F210 HydrophobicContact CD2-CB 3.82Å; L194-F210 HydrophobicContact CD2-CD1 3.52Å; L194-F210 HydrophobicContact CD2-CD2 3.6Å; L194-F210 HydrophobicContact CD2-CE1 3.92Å; L194-F210 HydrophobicContact CD2-CE2 3.97Å; L194-F210 HydrophobicContact CD2-CG 3.35Å; L194-F210 HydrophobicContact CD2-CZ 4.13Å; L194-F212 HydrophobicContact CD1-CE2 4.12Å; L194-F212 HydrophobicContact CD1-CZ 3.69Å; L194-F212 HydrophobicContact CD2-CZ 4.13Å; L194-L264 HydrophobicContact CD1-CD2 3.37Å; L194-L269 HydrophobicContact CB-CB 4.19Å; L194-L269 HydrophobicContact CB-CD1 4.48Å; L194-L269 HydrophobicContact CB-CD2 4.48Å
195	D	90.5	Very high	91.3	Very high	33 Å²	33	45.7 Å²	45.7	18%	0.176	24%	0.24	C	C	.	.	S	Bend	trans	-82.4	176.5	-173.1	-147.4	-31.2	0	0	0	112.1	Y197 L269	D195-Y197 HydrophobicContact CB-CD2 3.72Å; D195-Y197 HydrophobicContact CB-CE2 3.72Å; D195-Y197 PolarHBondContact O-N 3Å; D195-L269 HydrophobicContact CB-CD2 3.87Å
196	Y	90.4	Very high	91.8	Very high	117 Å²	117	47.8 Å²	47.8	46%	0.459	25%	0.246	S	C	.	.	S	Bend	trans	-80.8	12.9	-175.3	-70.7	-93.5	0	0	0	114.6	K100 K101 D198 R206	K100-Y196 HydrophobicContact CB-CD1 4.36Å; K101-Y196 HydrophobicContact CB-CD1 3.83Å; K101-Y196 HydrophobicContact CB-CE1 4.06Å; K101-Y196 HydrophobicContact CB-CG 4.19Å; K101-Y196 HydrophobicContact CD-CD1 4.02Å; K101-Y196 HydrophobicContact CD-CD2 4.29Å; K101-Y196 HydrophobicContact CD-CE1 3.41Å; K101-Y196 VanDerWaalsContact CD-CE1 3.41Å; K101-Y196 HydrophobicContact CD-CE2 3.73Å; K101-Y196 HydrophobicContact CD-CG 4.43Å; K101-Y196 WeakPolarHBondContact CD-OH 3.34Å; K101-Y196 HydrophobicContact CG-CD1 4.01Å; K101-Y196 HydrophobicContact CG-CE1 3.69Å; Y196-D198 PolarHBondContact O-N 3.41Å; Y196-R206 PolarHBondContact O-NH2 3.35Å
197	Y	89.8	Confident	92.2	Very high	119 Å²	119	49.8 Å²	49.8	47%	0.467	26%	0.255	S	S	.	.			trans	-58.5	138.8	-179.2	-64.4	-60.2	0	0	0	111.9	D195 L200 R206	D195-Y197 HydrophobicContact CB-CD2 3.72Å; D195-Y197 HydrophobicContact CB-CE2 3.72Å; D195-Y197 PolarHBondContact O-N 3Å; Y197-L200 HydrophobicContact CD2-CD1 4.05Å; Y197-L200 HydrophobicContact CE2-CD1 4.28Å; Y197-R206 PolarHBondContact O-NE 2.8Å; Y197-R206 VanDerWaalsContact O-NE 3.08Å
198	D	89.7	Confident	92.7	Very high	112 Å²	112	49.8 Å²	49.8	60%	0.599	26%	0.255	S	S	*	.	S	Bend	trans	-64	-47.3	170.6	-69.6	-59	0	0	0	110.7	Y196 S204 R206	Y196-D198 PolarHBondContact O-N 3.41Å; D198-S204 PolarHBondContact O-OG 3.47Å; D198-R206 VanDerWaalsContact CA-CZ 3.43Å; D198-R206 VanDerWaalsContact CG-NH2 3.28Å; D198-R206 IonicContact OD1-CZ 2.68Å; D198-R206 IonicContact OD1-NH1 2.7Å; D198-R206 PolarHBondContact OD1-NH1 2.7Å; D198-R206 IonicContact OD1-NH2 3.51Å; D198-R206 PolarHBondContact OD1-NH2 2.95Å
199	K	92.3	Very high	93.3	Very high	144 Å²	144	46.6 Å²	46.6	63%	0.626	24%	0.238	S	C	*	.			trans	-146.7	143.7	176.4	-65.4	-176.8	177.5	-173	0	109.3	V203	K199-V203 CarbonylContact C-O 3.59Å; K199-V203 VanDerWaalsContact CA-O 3.26Å; K199-V203 WeakPolarHBondContact CA-O 3.45Å
200	L	90.8	Very high	93.6	Very high	33 Å²	33	46.2 Å²	46.2	17%	0.173	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-120.8	121.8	168.8	-172.2	101.4	0	0	0	107.1	P192 Y193 Y197 G202 V203 Y205	P192-L200 HydrophobicContact CB-CD1 3.9Å; P192-L200 HydrophobicContact CB-CD2 4.01Å; Y193-L200 HydrophobicContact CD1-CD2 3.61Å; Y193-L200 HydrophobicContact CE1-CD2 3.37Å; Y197-L200 HydrophobicContact CD2-CD1 4.05Å; Y197-L200 HydrophobicContact CE2-CD1 4.28Å; L200-G202 PolarHBondContact O-N 3.4Å; L200-G202 VanDerWaalsContact O-N 3.15Å; L200-V203 PolarHBondContact N-O 2.68Å; L200-V203 PolarHBondContact O-N 2.8Å; L200-Y205 HydrophobicContact CB-CD2 4.24Å; L200-Y205 HydrophobicContact CB-CE2 3.84Å; L200-Y205 HydrophobicContact CD2-CE2 4.28Å
201	D	89.3	Confident	94	Very high	113 Å²	113	46.2 Å²	46.2	60%	0.604	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.2	37.3	-173.3	-57.3	-35.1	0	0	0	114	V203	D201-V203 VanDerWaalsContact C-N 3.31Å; D201-V203 PolarHBondContact O-N 3.42Å
202	G	92.4	Very high	94.3	Very high	57 Å²	57	45.1 Å²	45.1	59%	0.588	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.2	-4.8	-180	0	0	0	0	0	115.5	L200	L200-G202 PolarHBondContact O-N 3.4Å; L200-G202 VanDerWaalsContact O-N 3.15Å
203	V	95.9	Very high	94.5	Very high	18 Å²	18	43 Å²	43	11%	0.109	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-105.7	136.3	-177.5	-176.8	0	0	0	0	110.3	R163 V166 T167 K199 L200 D201 Y205	R163-V203 HydrophobicContact CG-CG2 4.49Å; V166-V203 HydrophobicContact CB-CG1 4.16Å; V166-V203 HydrophobicContact CG1-CG1 3.63Å; T167-V203 WeakPolarHBondContact OG1-CG2 3.35Å; K199-V203 CarbonylContact C-O 3.59Å; K199-V203 VanDerWaalsContact CA-O 3.26Å; K199-V203 WeakPolarHBondContact CA-O 3.45Å; L200-V203 PolarHBondContact N-O 2.68Å; L200-V203 PolarHBondContact O-N 2.8Å; D201-V203 VanDerWaalsContact C-N 3.31Å; D201-V203 PolarHBondContact O-N 3.42Å; V203-Y205 HydrophobicContact CB-CE2 3.86Å; V203-Y205 HydrophobicContact CG1-CE1 4.38Å; V203-Y205 HydrophobicContact CG1-CE2 3.93Å; V203-Y205 WeakPolarHBondContact O-CD2 3.34Å; V203-Y205 WeakPolarHBondContact O-CE2 3.41Å
204	S	96.1	Very high	94.4	Very high	35 Å²	35	42.4 Å²	42.4	25%	0.245	21%	0.214	C	C	.	.			trans	-96.6	127.2	174.3	176.3	0	0	0	0	110.1	V166 D198 R206	V166-S204 VanDerWaalsContact CG1-O 3.3Å; V166-S204 WeakPolarHBondContact CG1-O 3.4Å; D198-S204 PolarHBondContact O-OG 3.47Å; S204-R206 PolarHBondContact OG-N 3.12Å
205	Y	97.3	Very high	94.3	Very high	10 Å²	10	45 Å²	45	4%	0.039	23%	0.228	C	C	.	.			trans	-99.6	-0.2	178.3	-61.4	-94	0	0	0	112	P102 V162 V166 Y193 L200 V203 K207 S208	P102-Y205 WeakPolarHBondContact CB-O 3.2Å; V162-Y205 HydrophobicContact CG1-CD1 4.36Å; V162-Y205 HydrophobicContact CG1-CE1 3.92Å; V166-Y205 HydrophobicContact CB-CD1 3.99Å; V166-Y205 HydrophobicContact CB-CE1 3.8Å; V166-Y205 HydrophobicContact CG1-CD1 3.73Å; V166-Y205 HydrophobicContact CG1-CE1 3.9Å; V166-Y205 HydrophobicContact CG1-CG 4.26Å; V166-Y205 HydrophobicContact CG2-CD1 3.77Å; V166-Y205 HydrophobicContact CG2-CE1 3.85Å; Y193-Y205 AromaticContact CD1-CD1 3.86Å; Y193-Y205 HydrophobicContact CD1-CD1 3.86Å; Y193-Y205 HydrophobicContact CD1-CD2 4.19Å; Y193-Y205 AromaticContact CD1-CE1 3.42Å; Y193-Y205 HydrophobicContact CD1-CE1 3.42Å; Y193-Y205 VanDerWaalsContact CD1-CE1 3.42Å; Y193-Y205 AromaticContact CD1-CE2 3.81Å; Y193-Y205 HydrophobicContact CD1-CE2 3.81Å; Y193-Y205 HydrophobicContact CD1-CG 4.24Å; Y193-Y205 AromaticContact CD1-CZ 3.38Å; Y193-Y205 AromaticContact CE1-CE1 3.96Å; Y193-Y205 HydrophobicContact CE1-CE1 3.96Å; Y193-Y205 HydrophobicContact CE1-CE2 4.27Å; Y193-Y205 AromaticContact CE1-CZ 3.65Å; Y193-Y205 WeakPolarHBondContact CE1-OH 3.3Å; Y193-Y205 HydrophobicContact CG-CD1 4.22Å; Y193-Y205 HydrophobicContact CG-CE1 4.09Å; L200-Y205 HydrophobicContact CB-CD2 4.24Å; L200-Y205 HydrophobicContact CB-CE2 3.84Å; L200-Y205 HydrophobicContact CD2-CE2 4.28Å; V203-Y205 HydrophobicContact CB-CE2 3.86Å; V203-Y205 HydrophobicContact CG1-CE1 4.38Å; V203-Y205 HydrophobicContact CG1-CE2 3.93Å; V203-Y205 WeakPolarHBondContact O-CD2 3.34Å; V203-Y205 WeakPolarHBondContact O-CE2 3.41Å; Y205-K207 PolarHBondContact O-N 3.24Å; Y205-K207 VanDerWaalsContact O-N 3.08Å; Y205-S208 WeakPolarHBondContact O-CB 3.3Å; Y205-S208 PolarHBondContact O-N 3.39Å; Y205-S208 PolarHBondContact O-OG 3.03Å
206	R	97	Very high	94.1	Very high	50 Å²	50	44 Å²	44	19%	0.189	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-24.5	-167.4	-70.3	177.8	159.1	-177.3	0.4	114.9	F93 P99 K100 K101 P102 Y196 Y197 D198 S204	F93-R206 WeakPolarHBondContact CE2-O 3.42Å; F93-R206 WeakPolarHBondContact CZ-O 3.22Å; P99-R206 WeakPolarHBondContact CB-O 3.47Å; P99-R206 HydrophobicContact CG-CB 4.36Å; P99-R206 WeakPolarHBondContact CG-O 3.29Å; P99-R206 WeakPolarHBondContact O-CB 3.34Å; P99-R206 WeakPolarHBondContact O-CD 3.29Å; K100-R206 PolarHBondContact O-NE 3Å; K101-R206 CarbonylContact C-O 3.53Å; P102-R206 WeakPolarHBondContact CA-O 3.35Å; Y196-R206 PolarHBondContact O-NH2 3.35Å; Y197-R206 PolarHBondContact O-NE 2.8Å; Y197-R206 VanDerWaalsContact O-NE 3.08Å; D198-R206 VanDerWaalsContact CA-CZ 3.43Å; D198-R206 VanDerWaalsContact CG-NH2 3.28Å; D198-R206 IonicContact OD1-CZ 2.68Å; D198-R206 IonicContact OD1-NH1 2.7Å; D198-R206 PolarHBondContact OD1-NH1 2.7Å; D198-R206 IonicContact OD1-NH2 3.51Å; D198-R206 PolarHBondContact OD1-NH2 2.95Å; S204-R206 PolarHBondContact OG-N 3.12Å
207	K	97.7	Very high	93.8	Very high	44 Å²	44	38.9 Å²	38.9	19%	0.191	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	3	179.8	-75.1	167.6	174.4	170.8	0	113.4	P97 P99 E170 R171 Y205	P97-K207 WeakPolarHBondContact O-CE 3.22Å; P99-K207 HydrophobicContact CG-CG 3.71Å; E170-K207 HydrophobicContact CB-CB 4.36Å; E170-K207 VanDerWaalsContact CD-NZ 3.34Å; E170-K207 HydrophobicContact CG-CB 4.24Å; E170-K207 HydrophobicContact CG-CD 3.96Å; E170-K207 CarbonylContact O-C 3.57Å; E170-K207 WeakPolarHBondContact OE1-CD 3.32Å; E170-K207 WeakPolarHBondContact OE1-CE 3.25Å; E170-K207 IonicContact OE1-NZ 2.67Å; E170-K207 PolarHBondContact OE1-NZ 3.45Å; E170-K207 VanDerWaalsContact OE2-CD 3.32Å; E170-K207 WeakPolarHBondContact OE2-CD 3.27Å; E170-K207 IonicContact OE2-NZ 3.3Å; E170-K207 PolarHBondContact OE2-NZ 3.48Å; R171-K207 HydrophobicContact CG-CB 4.16Å; Y205-K207 PolarHBondContact O-N 3.24Å; Y205-K207 VanDerWaalsContact O-N 3.08Å
208	S	98.3	Very high	93.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.185	C	C	.	.			trans	-82.2	156.6	176.9	-52	0	0	0	0	110.9	F93 P102 L103 E170 S172 Y205	F93-S208 WeakPolarHBondContact CZ-O 3.45Å; P102-S208 WeakPolarHBondContact CA-O 3.49Å; P102-S208 WeakPolarHBondContact CB-O 3.43Å; L103-S208 PolarHBondContact N-O 2.88Å; L103-S208 VanDerWaalsContact N-O 3.16Å; E170-S208 WeakPolarHBondContact O-CA 3.38Å; E170-S208 PolarHBondContact O-N 2.92Å; E170-S208 VanDerWaalsContact O-N 3.08Å; E170-S208 PolarHBondContact O-OG 2.93Å; S172-S208 VanDerWaalsContact O-CA 3.28Å; S172-S208 WeakPolarHBondContact O-CA 3.39Å; S172-S208 WeakPolarHBondContact O-CB 3.47Å; Y205-S208 WeakPolarHBondContact O-CB 3.3Å; Y205-S208 PolarHBondContact O-N 3.39Å; Y205-S208 PolarHBondContact O-OG 3.03Å
209	I	98.7	Very high	93.8	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.015	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	129.5	177.6	-57.2	176.7	0	0	0	108.5	F93 M94 L103 S172 M173 F174 I211	F93-I209 HydrophobicContact CD1-CD1 4.31Å; F93-I209 HydrophobicContact CD1-CG1 4.11Å; F93-I209 HydrophobicContact CE1-CD1 4.18Å; F93-I209 HydrophobicContact CE1-CG1 3.61Å; F93-I209 HydrophobicContact CZ-CG1 4.46Å; M94-I209 HydrophobicContact SD-CD1 4.14Å; L103-I209 HydrophobicContact CB-CG1 4.43Å; L103-I209 HydrophobicContact CB-CG2 4.49Å; L103-I209 HydrophobicContact CD2-CG2 4.26Å; S172-I209 PolarHBondContact O-N 2.79Å; M173-I209 CarbonylContact C-O 3.44Å; M173-I209 VanDerWaalsContact CA-O 3.29Å; M173-I209 WeakPolarHBondContact CA-O 3.42Å; M173-I209 HydrophobicContact CB-CB 4.34Å; M173-I209 HydrophobicContact CE-CB 4.36Å; M173-I209 HydrophobicContact CE-CD1 3.94Å; M173-I209 HydrophobicContact CE-CG2 4.25Å; M173-I209 HydrophobicContact CG-CB 4.16Å; M173-I209 HydrophobicContact CG-CG2 4.3Å; F174-I209 PolarHBondContact N-O 2.88Å; I209-I211 HydrophobicContact CG2-CD1 4.3Å; I209-I211 HydrophobicContact CG2-CG1 3.94Å
210	F	98.5	Very high	93.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	127.3	173.8	-67.1	-98.3	0	0	0	109	P102 L103 V104 L105 V162 F174 F176 L194 F212	P102-F210 HydrophobicContact CB-CD2 3.77Å; P102-F210 HydrophobicContact CB-CE2 3.87Å; P102-F210 HydrophobicContact CG-CD2 4.22Å; P102-F210 HydrophobicContact CG-CE2 4.19Å; L103-F210 PolarHBondContact O-N 3.21Å; V104-F210 WeakPolarHBondContact CA-O 3.47Å; V104-F210 HydrophobicContact CG1-CB 4.42Å; V104-F210 HydrophobicContact CG2-CB 4.34Å; L105-F210 PolarHBondContact N-O 2.92Å; V162-F210 HydrophobicContact CG1-CZ 4.36Å; F174-F210 HydrophobicContact CB-CD1 3.86Å; F174-F210 HydrophobicContact CB-CE1 4.01Å; F174-F210 HydrophobicContact CD2-CD1 4.14Å; F174-F210 AromaticContact CD2-CE1 3.6Å; F174-F210 HydrophobicContact CD2-CE1 3.6Å; F174-F210 HydrophobicContact CD2-CE2 4.33Å; F174-F210 AromaticContact CD2-CZ 3.72Å; F174-F210 HydrophobicContact CD2-CZ 3.72Å; F174-F210 HydrophobicContact CE2-CE1 4.39Å; F174-F210 HydrophobicContact CE2-CZ 4.17Å; F174-F210 HydrophobicContact CG-CD1 4.33Å; F174-F210 AromaticContact CG-CE1 3.99Å; F174-F210 HydrophobicContact CG-CE1 3.99Å; F174-F210 CarbonylContact O-C 3.19Å; F174-F210 WeakPolarHBondContact O-CA 3.4Å; F176-F210 AromaticContact CE2-CD1 3.99Å; F176-F210 HydrophobicContact CE2-CD1 3.99Å; F176-F210 HydrophobicContact CE2-CE1 4.47Å; L194-F210 HydrophobicContact CD2-CB 3.82Å; L194-F210 HydrophobicContact CD2-CD1 3.52Å; L194-F210 HydrophobicContact CD2-CD2 3.6Å; L194-F210 HydrophobicContact CD2-CE1 3.92Å; L194-F210 HydrophobicContact CD2-CE2 3.97Å; L194-F210 HydrophobicContact CD2-CG 3.35Å; L194-F210 HydrophobicContact CD2-CZ 4.13Å; F210-F212 HydrophobicContact CB-CE1 4.23Å; F210-F212 HydrophobicContact CB-CZ 4.31Å
211	I	98.5	Very high	93.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	119.4	179.3	-53.3	-176.9	0	0	0	108.1	L105 L107 I122 M173 F174 I175 F176 I209 L213	L105-I211 CarbonylContact O-C 3.52Å; L105-I211 WeakPolarHBondContact O-CA 2.95Å; L107-I211 HydrophobicContact CD1-CG2 3.74Å; L107-I211 HydrophobicContact CD2-CG2 4.42Å; I122-I211 HydrophobicContact CD1-CD1 3.98Å; M173-I211 HydrophobicContact CE-CD1 4.44Å; M173-I211 HydrophobicContact CG-CD1 4.43Å; M173-I211 HydrophobicContact SD-CD1 3.97Å; F174-I211 PolarHBondContact O-N 3.3Å; I175-I211 CarbonylContact C-O 3.43Å; I175-I211 WeakPolarHBondContact CA-O 3.35Å; I175-I211 HydrophobicContact CG1-CB 4.23Å; I175-I211 HydrophobicContact CG1-CD1 4.35Å; F176-I211 PolarHBondContact N-O 2.79Å; I209-I211 HydrophobicContact CG2-CD1 4.3Å; I209-I211 HydrophobicContact CG2-CG1 3.94Å; I211-L213 HydrophobicContact CG2-CD2 3.64Å
212	F	96.7	Very high	94.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	128.2	175.5	-54	-33	0	0	0	109.3	V104 L105 L107 F176 M179 I190 L194 F210 F259 L264	V104-F212 HydrophobicContact CG1-CD2 4.12Å; V104-F212 HydrophobicContact CG1-CE2 3.52Å; V104-F212 HydrophobicContact CG1-CZ 4.04Å; L105-F212 PolarHBondContact O-N 3.25Å; L107-F212 PolarHBondContact N-O 3.06Å; F176-F212 HydrophobicContact CB-CD1 3.94Å; F176-F212 HydrophobicContact CB-CE1 4.5Å; F176-F212 AromaticContact CD2-CD1 3.75Å; F176-F212 HydrophobicContact CD2-CD1 3.75Å; F176-F212 AromaticContact CD2-CE1 3.56Å; F176-F212 HydrophobicContact CD2-CE1 3.56Å; F176-F212 HydrophobicContact CE2-CE1 4.1Å; F176-F212 HydrophobicContact CG-CD1 4.15Å; F176-F212 HydrophobicContact CG-CE1 4.22Å; M179-F212 HydrophobicContact CE-CD1 4.34Å; M179-F212 HydrophobicContact CE-CE1 4.45Å; M179-F212 HydrophobicContact CE-CG 4.43Å; M179-F212 HydrophobicContact CG-CB 4.24Å; M179-F212 HydrophobicContact SD-CD1 4.39Å; I190-F212 HydrophobicContact CD1-CE1 4.13Å; I190-F212 HydrophobicContact CD1-CZ 4.21Å; L194-F212 HydrophobicContact CD1-CE2 4.12Å; L194-F212 HydrophobicContact CD1-CZ 3.69Å; L194-F212 HydrophobicContact CD2-CZ 4.13Å; F210-F212 HydrophobicContact CB-CE1 4.23Å; F210-F212 HydrophobicContact CB-CZ 4.31Å; F212-F259 HydrophobicContact CB-CE2 4.44Å; F212-F259 HydrophobicContact CD2-CE2 4.04Å; F212-F259 AromaticContact CD2-CZ 4Å; F212-F259 HydrophobicContact CD2-CZ 4Å; F212-F259 HydrophobicContact CG-CE2 4.45Å; F212-L264 HydrophobicContact CE2-CD1 4.21Å
213	L	96.5	Very high	94.2	Very high	1 Å²	1	23 Å²	23	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	125.1	178.8	-45.3	178.9	0	0	0	108.5	L107 K115 N116 I175 F176 D177 E178 M179 I211	L107-L213 HydrophobicContact CB-CD2 3.94Å; L107-L213 HydrophobicContact CD1-CD2 4.5Å; L107-L213 HydrophobicContact CD2-CD2 3.79Å; L107-L213 HydrophobicContact CG-CD2 4.28Å; K115-L213 HydrophobicContact CB-CD2 4.32Å; N116-L213 HydrophobicContact CB-CD1 4.31Å; N116-L213 WeakPolarHBondContact OD1-CD1 3.32Å; I175-L213 HydrophobicContact CG2-CD1 3.79Å; I175-L213 HydrophobicContact CG2-CG 4.17Å; F176-L213 PolarHBondContact O-N 3.32Å; D177-L213 HydrophobicContact CB-CD1 4.25Å; E178-L213 PolarHBondContact N-O 3.36Å; M179-L213 WeakPolarHBondContact CB-O 3.31Å; M179-L213 PolarHBondContact N-O 3.32Å; I211-L213 HydrophobicContact CG2-CD2 3.64Å
214	S	92.4	Very high	94.1	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.007	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	150.6	-177.4	-173	0	0	0	0	113.4	L107 H108 G109 K115 D180 A216	L107-S214 PolarHBondContact O-N 3.22Å; H108-S214 WeakPolarHBondContact CA-O 3.38Å; G109-S214 PolarHBondContact N-O 2.95Å; K115-S214 WeakPolarHBondContact CD-O 3.47Å; K115-S214 WeakPolarHBondContact CE-O 3.15Å; D180-S214 VanDerWaalsContact CB-OG 3.24Å; D180-S214 WeakPolarHBondContact CB-OG 3.2Å; D180-S214 PolarHBondContact N-OG 2.66Å; D180-S214 VanDerWaalsContact OD1-CA 3.25Å; D180-S214 WeakPolarHBondContact OD1-CA 3.35Å; D180-S214 PolarHBondContact OD1-OG 3Å; S214-A216 WeakPolarHBondContact OG-CB 3.37Å; S214-A216 PolarHBondContact OG-N 3.03Å
215	N	91.6	Very high	94.2	Very high	55 Å²	55	21 Å²	21	29%	0.294	11%	0.111	S	C	.	.			trans	-91.6	-5.1	167.6	-59.7	-46.3	0	0	0	113	G109 K115 D180 G217 G218	G109-N215 WeakPolarHBondContact O-CA 3.22Å; G109-N215 PolarHBondContact O-OD1 3.41Å; K115-N215 PolarHBondContact NZ-OD1 2.82Å; D180-N215 PolarHBondContact OD1-N 3.1Å; N215-G217 PolarHBondContact O-N 3.12Å; N215-G218 PolarHBondContact O-N 3.44Å; N215-G218 VanDerWaalsContact O-N 3.07Å
216	A	85.6	Confident	94.1	Very high	13 Å²	13	21.1 Å²	21.1	11%	0.107	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	136.7	175.7	0	0	0	0	0	110.9	H108 D180 S214 G218	H108-A216 PolarHBondContact ND1-O 2.86Å; H108-A216 VanDerWaalsContact ND1-O 3.15Å; D180-A216 HydrophobicContact CB-CB 4.18Å; S214-A216 WeakPolarHBondContact OG-CB 3.37Å; S214-A216 PolarHBondContact OG-N 3.03Å; A216-G218 PolarHBondContact O-N 3Å
217	G	85.1	Confident	94.1	Very high	8 Å²	8	23.6 Å²	23.6	8%	0.082	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.3	-2	-175.3	0	0	0	0	0	115.2	N215 D219 G220 I221	N215-G217 PolarHBondContact O-N 3.12Å; G217-D219 PolarHBondContact O-N 3.37Å; G217-G220 PolarHBondContact O-N 2.81Å; G217-I221 WeakPolarHBondContact O-CG1 3.34Å; G217-I221 PolarHBondContact O-N 3.45Å; G217-I221 VanDerWaalsContact O-N 3.13Å
218	G	89.6	Confident	94	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.01	12%	0.122	C	C	.	.	H	α-helix	trans	-56.5	-43.8	179.7	0	0	0	0	0	114	N215 A216 G220 I221 I222	N215-G218 PolarHBondContact O-N 3.44Å; N215-G218 VanDerWaalsContact O-N 3.07Å; A216-G218 PolarHBondContact O-N 3Å; G218-G220 VanDerWaalsContact C-N 3.33Å; G218-G220 PolarHBondContact O-N 3.33Å; G218-I221 PolarHBondContact O-N 2.91Å; G218-I222 WeakPolarHBondContact O-CB 3.33Å; G218-I222 WeakPolarHBondContact O-CG1 3.09Å; G218-I222 PolarHBondContact O-N 3.36Å
219	D	89.6	Confident	94	Very high	117 Å²	117	28.2 Å²	28.2	63%	0.626	14%	0.142	S	C	*	.	H	α-helix	trans	-61.7	-41.1	-179.2	-65.8	-35.4	0	0	0	112.4	W110 G217 I222 Q223	W110-D219 WeakPolarHBondContact CZ3-OD1 3.46Å; G217-D219 PolarHBondContact O-N 3.37Å; D219-I222 WeakPolarHBondContact O-CB 3.27Å; D219-I222 PolarHBondContact O-N 3.43Å; D219-Q223 WeakPolarHBondContact O-CB 3.39Å; D219-Q223 PolarHBondContact O-N 3.44Å
220	G	90.4	Very high	93.9	Very high	13 Å²	13	33.9 Å²	33.9	13%	0.134	17%	0.167	C	C	.	.	H	α-helix	trans	-70.6	-39.4	178.6	0	0	0	0	0	112.7	G217 G218 I222 Q223 T224 T246	G217-G220 PolarHBondContact O-N 2.81Å; G218-G220 VanDerWaalsContact C-N 3.33Å; G218-G220 PolarHBondContact O-N 3.33Å; G220-I222 VanDerWaalsContact C-N 3.29Å; G220-I222 PolarHBondContact O-N 2.97Å; G220-Q223 PolarHBondContact O-N 3.2Å; G220-T224 PolarHBondContact O-N 2.9Å; G220-T224 PolarHBondContact O-OG1 3.03Å; G220-T246 WeakPolarHBondContact O-CG2 3.3Å
221	I	94.1	Very high	93.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-59.6	-44.1	173	-66	164.4	0	0	0	110.1	H108 G217 G218 T224 A225 L243 L247 P275 L277	H108-I221 HydrophobicContact CB-CD1 4.47Å; G217-I221 WeakPolarHBondContact O-CG1 3.34Å; G217-I221 PolarHBondContact O-N 3.45Å; G217-I221 VanDerWaalsContact O-N 3.13Å; G218-I221 PolarHBondContact O-N 2.91Å; I221-T224 PolarHBondContact O-N 3.3Å; I221-A225 WeakPolarHBondContact O-CB 3.46Å; I221-A225 PolarHBondContact O-N 3.36Å; I221-L243 HydrophobicContact CG1-CD2 4.46Å; I221-L243 HydrophobicContact CG2-CD2 4.23Å; I221-L247 HydrophobicContact CD1-CD2 3.89Å; I221-L247 HydrophobicContact CG1-CD2 4.24Å; I221-P275 HydrophobicContact CD1-CB 4.05Å; I221-P275 HydrophobicContact CG1-CB 4.49Å; I221-L277 HydrophobicContact CG2-CD2 3.78Å
222	I	94.8	Very high	93.8	Very high	18 Å²	18	40.4 Å²	40.4	9%	0.092	23%	0.228	C	C	.	.	H	α-helix	trans	-57.8	-48	174.9	-79.8	163.6	0	0	0	111.3	W110 G218 D219 G220 T224 A225 L226 P278 F314	W110-I222 HydrophobicContact CB-CD1 4.14Å; W110-I222 HydrophobicContact CD2-CD1 3.5Å; W110-I222 HydrophobicContact CE3-CD1 3.34Å; W110-I222 HydrophobicContact CG-CD1 3.87Å; W110-I222 HydrophobicContact CZ3-CD1 3.9Å; G218-I222 WeakPolarHBondContact O-CB 3.33Å; G218-I222 WeakPolarHBondContact O-CG1 3.09Å; G218-I222 PolarHBondContact O-N 3.36Å; D219-I222 WeakPolarHBondContact O-CB 3.27Å; D219-I222 PolarHBondContact O-N 3.43Å; G220-I222 VanDerWaalsContact C-N 3.29Å; G220-I222 PolarHBondContact O-N 2.97Å; I222-T224 VanDerWaalsContact C-N 3.33Å; I222-T224 PolarHBondContact O-N 2.93Å; I222-A225 PolarHBondContact O-N 3.45Å; I222-L226 WeakPolarHBondContact O-CB 3.4Å; I222-L226 PolarHBondContact O-N 3.06Å; I222-P278 HydrophobicContact CG1-CB 3.94Å; I222-P278 HydrophobicContact CG1-CG 3.88Å; I222-F314 HydrophobicContact CD1-CE2 3.82Å; I222-F314 HydrophobicContact CD1-CZ 3.65Å; I222-F314 HydrophobicContact CG1-CE2 4.1Å; I222-F314 HydrophobicContact CG1-CZ 4.04Å; I222-F314 HydrophobicContact CG2-CE2 3.63Å; I222-F314 HydrophobicContact CG2-CZ 4.41Å
223	Q	93.9	Very high	93.8	Very high	95 Å²	95	45.2 Å²	45.2	44%	0.444	25%	0.249	S	C	.	.	H	α-helix	trans	-60.6	-45.1	-178.2	-179.7	57.8	33.9	0	0	111.1	D219 G220 A225 L226 E227	D219-Q223 WeakPolarHBondContact O-CB 3.39Å; D219-Q223 PolarHBondContact O-N 3.44Å; G220-Q223 PolarHBondContact O-N 3.2Å; Q223-A225 PolarHBondContact O-N 3.11Å; Q223-L226 PolarHBondContact O-N 2.88Å; Q223-E227 WeakPolarHBondContact CG-OE1 3.49Å; Q223-E227 PolarHBondContact NE2-OE1 3.25Å; Q223-E227 WeakPolarHBondContact O-CG 3.39Å; Q223-E227 PolarHBondContact O-N 3.06Å
224	T	94.8	Very high	93.8	Very high	9 Å²	9	50.1 Å²	50.1	6%	0.055	28%	0.275	C	S	.	.	H	α-helix	trans	-62.1	-45.2	177.4	-48.9	0	0	0	0	111.1	G220 I221 I222 L226 E227 F228 D242 L243 T246	G220-T224 PolarHBondContact O-N 2.9Å; G220-T224 PolarHBondContact O-OG1 3.03Å; I221-T224 PolarHBondContact O-N 3.3Å; I222-T224 VanDerWaalsContact C-N 3.33Å; I222-T224 PolarHBondContact O-N 2.93Å; T224-L226 VanDerWaalsContact C-N 3.32Å; T224-L226 PolarHBondContact O-N 2.99Å; T224-E227 PolarHBondContact O-N 2.78Å; T224-F228 HydrophobicContact CG2-CD2 4.44Å; T224-F228 HydrophobicContact CG2-CE2 4.33Å; T224-F228 WeakPolarHBondContact O-CD2 3.46Å; T224-F228 PolarHBondContact O-N 3.15Å; T224-D242 HydrophobicContact CG2-CB 4.31Å; T224-L243 HydrophobicContact CG2-CD2 3.83Å; T224-T246 PolarHBondContact OG1-OG1 3.06Å
225	A	96.4	Very high	94	Very high	4 Å²	4	50.8 Å²	50.8	3%	0.033	28%	0.277	C	S	.	.	H	α-helix	trans	-62.4	-39.3	177	0	0	0	0	0	112.3	I221 I222 Q223 F228 W229 I238 L277 P278 F321	I221-A225 WeakPolarHBondContact O-CB 3.46Å; I221-A225 PolarHBondContact O-N 3.36Å; I222-A225 PolarHBondContact O-N 3.45Å; Q223-A225 PolarHBondContact O-N 3.11Å; A225-F228 PolarHBondContact O-N 3.33Å; A225-W229 WeakPolarHBondContact O-CB 3.15Å; A225-W229 PolarHBondContact O-N 3.12Å; A225-I238 HydrophobicContact CB-CD1 4.24Å; A225-L277 HydrophobicContact CB-CD2 4.36Å; A225-P278 HydrophobicContact CB-CG 4.02Å; A225-F321 HydrophobicContact CB-CE2 4.44Å; A225-F321 HydrophobicContact CB-CZ 3.89Å
226	L	96.4	Very high	94.3	Very high	11 Å²	11	53.7 Å²	53.7	6%	0.058	29%	0.289	C	S	.	.	H	α-helix	trans	-65.6	-38.3	177	-174.5	61.4	0	0	0	112	I222 Q223 T224 W229 K230 P315 F321	I222-L226 WeakPolarHBondContact O-CB 3.4Å; I222-L226 PolarHBondContact O-N 3.06Å; Q223-L226 PolarHBondContact O-N 2.88Å; T224-L226 VanDerWaalsContact C-N 3.32Å; T224-L226 PolarHBondContact O-N 2.99Å; L226-W229 PolarHBondContact O-N 2.86Å; L226-K230 HydrophobicContact CD1-CG 4.44Å; L226-K230 HydrophobicContact CG-CD 4.21Å; L226-K230 HydrophobicContact CG-CG 4.47Å; L226-K230 WeakPolarHBondContact O-CB 3.26Å; L226-K230 VanDerWaalsContact O-CG 3.3Å; L226-K230 WeakPolarHBondContact O-CG 3.33Å; L226-K230 PolarHBondContact O-N 2.71Å; L226-P315 HydrophobicContact CD1-CG 4.02Å; L226-P315 HydrophobicContact CD2-CG 3.61Å; L226-P315 HydrophobicContact CG-CG 4.49Å; L226-F321 HydrophobicContact CB-CE2 4.06Å; L226-F321 HydrophobicContact CD1-CE2 4.18Å
227	E	95.7	Very high	94.9	Very high	102 Å²	102	57.5 Å²	57.5	48%	0.477	31%	0.305	S	S	.	.	H	α-helix	trans	-64	-43.8	177.5	-75.5	168.3	-167.1	0	0	112.1	Q223 T224 K230 A231	Q223-E227 WeakPolarHBondContact CG-OE1 3.49Å; Q223-E227 PolarHBondContact NE2-OE1 3.25Å; Q223-E227 WeakPolarHBondContact O-CG 3.39Å; Q223-E227 PolarHBondContact O-N 3.06Å; T224-E227 PolarHBondContact O-N 2.78Å; E227-K230 PolarHBondContact O-N 2.51Å; E227-A231 WeakPolarHBondContact O-CB 3.21Å; E227-A231 PolarHBondContact O-N 3.49Å
228	F	97.1	Very high	95.4	Very high	28 Å²	28	57.2 Å²	57.2	12%	0.123	30%	0.301	C	S	.	.	H	α-helix	trans	-61.4	-45.5	173.9	-88.7	-114.4	0	0	0	111.5	T224 A225 K230 A231 G232 K233 E237 I238 D242	T224-F228 HydrophobicContact CG2-CD2 4.44Å; T224-F228 HydrophobicContact CG2-CE2 4.33Å; T224-F228 WeakPolarHBondContact O-CD2 3.46Å; T224-F228 PolarHBondContact O-N 3.15Å; A225-F228 PolarHBondContact O-N 3.33Å; F228-K230 PolarHBondContact O-N 3.25Å; F228-A231 PolarHBondContact O-N 3.21Å; F228-G232 PolarHBondContact O-N 2.98Å; F228-K233 HydrophobicContact CB-CB 4.38Å; F228-K233 HydrophobicContact CD1-CB 3.91Å; F228-K233 HydrophobicContact CD1-CD 3.72Å; F228-K233 HydrophobicContact CD1-CG 4.49Å; F228-K233 HydrophobicContact CE1-CD 3.96Å; F228-K233 HydrophobicContact CG-CD 4.33Å; F228-K233 PolarHBondContact O-N 2.91Å; F228-E237 HydrophobicContact CD1-CB 4.5Å; F228-E237 HydrophobicContact CE1-CB 4.29Å; F228-I238 HydrophobicContact CB-CD1 4.2Å; F228-I238 HydrophobicContact CB-CG1 4.05Å; F228-I238 HydrophobicContact CD1-CG1 3.51Å; F228-I238 HydrophobicContact CD2-CG1 4.16Å; F228-I238 HydrophobicContact CE1-CB 4.47Å; F228-I238 HydrophobicContact CE1-CG1 3.89Å; F228-I238 HydrophobicContact CE2-CG1 4.49Å; F228-I238 HydrophobicContact CG-CD1 4.29Å; F228-I238 HydrophobicContact CG-CG1 3.64Å; F228-I238 HydrophobicContact CZ-CG1 4.36Å; F228-D242 HydrophobicContact CE2-CB 4.39Å; F228-D242 HydrophobicContact CZ-CB 4.38Å
229	W	97.1	Very high	95.6	Very high	113 Å²	113	61 Å²	61	43%	0.428	32%	0.319	S	S	.	.	H	α-helix	trans	-60.8	-45.1	177.7	-173.4	90.4	0	0	0	111.9	A225 L226 A231 G232 E318 V320	A225-W229 WeakPolarHBondContact O-CB 3.15Å; A225-W229 PolarHBondContact O-N 3.12Å; L226-W229 PolarHBondContact O-N 2.86Å; W229-A231 VanDerWaalsContact C-N 3.27Å; W229-A231 PolarHBondContact O-N 2.82Å; W229-G232 PolarHBondContact O-N 3.15Å; W229-E318 HydrophobicContact CH2-CB 4.04Å; W229-E318 HydrophobicContact CH2-CG 4.37Å; W229-E318 HydrophobicContact CZ3-CB 3.84Å; W229-E318 HydrophobicContact CZ3-CG 3.8Å; W229-V320 HydrophobicContact CD2-CG1 4.02Å; W229-V320 HydrophobicContact CD2-CG2 3.71Å; W229-V320 HydrophobicContact CE3-CG2 3.84Å; W229-V320 HydrophobicContact CG-CG1 3.92Å; W229-V320 HydrophobicContact CG-CG2 4.42Å; W229-V320 HydrophobicContact CH2-CG2 3.78Å; W229-V320 HydrophobicContact CZ2-CG1 4.48Å; W229-V320 HydrophobicContact CZ2-CG2 3.64Å; W229-V320 HydrophobicContact CZ3-CG2 3.88Å
230	K	96.9	Very high	95.7	Very high	122 Å²	122	57.7 Å²	57.7	53%	0.53	30%	0.301	S	S	.	.	H	α-helix	trans	-64.1	-31.1	176.8	-76.4	-179	177.5	-167.6	0	113.1	L226 E227 F228 G232 E318	L226-K230 HydrophobicContact CD1-CG 4.44Å; L226-K230 HydrophobicContact CG-CD 4.21Å; L226-K230 HydrophobicContact CG-CG 4.47Å; L226-K230 WeakPolarHBondContact O-CB 3.26Å; L226-K230 VanDerWaalsContact O-CG 3.3Å; L226-K230 WeakPolarHBondContact O-CG 3.33Å; L226-K230 PolarHBondContact O-N 2.71Å; E227-K230 PolarHBondContact O-N 2.51Å; F228-K230 PolarHBondContact O-N 3.25Å; K230-G232 PolarHBondContact O-N 2.85Å; K230-E318 WeakPolarHBondContact CE-OE1 3.38Å; K230-E318 IonicContact NZ-OE1 2.75Å; K230-E318 PolarHBondContact NZ-OE1 2.98Å
231	A	97.4	Very high	95.7	Very high	69 Å²	69	62.9 Å²	62.9	57%	0.57	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	0.3	174.6	0	0	0	0	0	113.3	E227 F228 W229 K233	E227-A231 WeakPolarHBondContact O-CB 3.21Å; E227-A231 PolarHBondContact O-N 3.49Å; F228-A231 PolarHBondContact O-N 3.21Å; W229-A231 VanDerWaalsContact C-N 3.27Å; W229-A231 PolarHBondContact O-N 2.82Å; A231-K233 HydrophobicContact CB-CD 4.41Å; A231-K233 HydrophobicContact CB-CG 4.12Å; A231-K233 PolarHBondContact O-N 3.44Å
232	G	96.9	Very high	95.6	Very high	69 Å²	69	65.1 Å²	65.1	71%	0.711	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	19.7	-177.4	0	0	0	0	0	113.6	F228 W229 K230	F228-G232 PolarHBondContact O-N 2.98Å; W229-G232 PolarHBondContact O-N 3.15Å; K230-G232 PolarHBondContact O-N 2.85Å
233	K	97.8	Very high	95.3	Very high	101 Å²	101	64.3 Å²	64.3	44%	0.439	33%	0.327	S	S	.	.			trans	-83.7	150.6	177.1	-64.5	-176.1	178.3	-178	0	110.4	F228 A231	F228-K233 HydrophobicContact CB-CB 4.38Å; F228-K233 HydrophobicContact CD1-CB 3.91Å; F228-K233 HydrophobicContact CD1-CD 3.72Å; F228-K233 HydrophobicContact CD1-CG 4.49Å; F228-K233 HydrophobicContact CE1-CD 3.96Å; F228-K233 HydrophobicContact CG-CD 4.33Å; F228-K233 PolarHBondContact O-N 2.91Å; A231-K233 HydrophobicContact CB-CD 4.41Å; A231-K233 HydrophobicContact CB-CG 4.12Å; A231-K233 PolarHBondContact O-N 3.44Å
234	N	96.8	Very high	94.6	Very high	103 Å²	103	64.3 Å²	64.3	55%	0.551	33%	0.327	S	S	*	.			trans	-69.9	148.1	173.7	-57.4	-68.6	0	0	0	110.2	E236 E237	N234-E236 PolarHBondContact O-N 3.46Å; N234-E237 HydrophobicContact CB-CG 4.15Å; N234-E237 WeakPolarHBondContact CB-OE1 3.47Å; N234-E237 PolarHBondContact N-OE1 3.47Å; N234-E237 PolarHBondContact ND2-OE1 3.28Å; N234-E237 WeakPolarHBondContact O-CB 3.4Å; N234-E237 PolarHBondContact O-N 2.83Å; N234-E237 VanDerWaalsContact O-N 3.14Å
235	R	96.7	Very high	93.4	Very high	15 Å²	15	68.2 Å²	68.2	6%	0.057	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-58.5	-38.5	176.7	-178.8	-170.2	-174.7	85	-6.6	111.9	G78 H80 E237 I238 L277 P278 E280	G78-R235 PolarHBondContact O-NE 3.16Å; G78-R235 PolarHBondContact O-NH2 2.98Å; H80-R235 PolarHBondContact CE1-O 3.08Å; H80-R235 VanDerWaalsContact CE1-O 3.23Å; H80-R235 PolarHBondContact NE2-O 3.36Å; R235-E237 PolarHBondContact O-N 3Å; R235-I238 HydrophobicContact CG-CD1 4.45Å; R235-I238 WeakPolarHBondContact O-CB 3.37Å; R235-I238 VanDerWaalsContact O-CG1 3.29Å; R235-I238 WeakPolarHBondContact O-CG1 3.35Å; R235-I238 PolarHBondContact O-N 3.31Å; R235-L277 HydrophobicContact CG-CD1 4.27Å; R235-P278 VanDerWaalsContact CZ-O 3.3Å; R235-P278 PolarHBondContact NH1-O 3.49Å; R235-P278 PolarHBondContact NH2-O 3.31Å; R235-E280 WeakPolarHBondContact CD-OE1 3.35Å; R235-E280 IonicContact CZ-OE1 3.25Å; R235-E280 IonicContact NE-OE1 3.65Å; R235-E280 IonicContact NH1-OE1 2.67Å; R235-E280 PolarHBondContact NH1-OE1 2.92Å
236	E	97.1	Very high	92.1	Very high	116 Å²	116	69.4 Å²	69.4	54%	0.542	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-66.7	-15.8	-177.9	-68.7	65.3	-143.9	0	0	112.6	H80 N234 I238	H80-E236 PolarHBondContact NE2-O 3.38Å; N234-E236 PolarHBondContact O-N 3.46Å; E236-I238 VanDerWaalsContact C-N 3.29Å
237	E	97.4	Very high	90.8	Very high	93 Å²	93	69.2 Å²	69.2	44%	0.435	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-76.6	-15.4	173.5	-63.5	173.1	-127.6	0	0	112.9	F228 N234 R235 E239	F228-E237 HydrophobicContact CD1-CB 4.5Å; F228-E237 HydrophobicContact CE1-CB 4.29Å; N234-E237 HydrophobicContact CB-CG 4.15Å; N234-E237 WeakPolarHBondContact CB-OE1 3.47Å; N234-E237 PolarHBondContact N-OE1 3.47Å; N234-E237 PolarHBondContact ND2-OE1 3.28Å; N234-E237 WeakPolarHBondContact O-CB 3.4Å; N234-E237 PolarHBondContact O-N 2.83Å; N234-E237 VanDerWaalsContact O-N 3.14Å; R235-E237 PolarHBondContact O-N 3Å; E237-E239 PolarHBondContact O-N 3.49Å
238	I	96.6	Very high	89.3	Confident	3 Å²	3	66.3 Å²	66.3	2%	0.015	35%	0.348	C	S	.	.			trans	-67.3	122.7	174.3	-56.4	168.5	0	0	0	108.1	H80 I81 A225 F228 R235 E236 L243 L277	H80-I238 PolarHBondContact NE2-O 3.38Å; I81-I238 HydrophobicContact CD1-CB 4.4Å; I81-I238 HydrophobicContact CD1-CG2 3.92Å; I81-I238 WeakPolarHBondContact CD1-O 3.46Å; A225-I238 HydrophobicContact CB-CD1 4.24Å; F228-I238 HydrophobicContact CB-CD1 4.2Å; F228-I238 HydrophobicContact CB-CG1 4.05Å; F228-I238 HydrophobicContact CD1-CG1 3.51Å; F228-I238 HydrophobicContact CD2-CG1 4.16Å; F228-I238 HydrophobicContact CE1-CB 4.47Å; F228-I238 HydrophobicContact CE1-CG1 3.89Å; F228-I238 HydrophobicContact CE2-CG1 4.49Å; F228-I238 HydrophobicContact CG-CD1 4.29Å; F228-I238 HydrophobicContact CG-CG1 3.64Å; F228-I238 HydrophobicContact CZ-CG1 4.36Å; R235-I238 HydrophobicContact CG-CD1 4.45Å; R235-I238 WeakPolarHBondContact O-CB 3.37Å; R235-I238 VanDerWaalsContact O-CG1 3.29Å; R235-I238 WeakPolarHBondContact O-CG1 3.35Å; R235-I238 PolarHBondContact O-N 3.31Å; E236-I238 VanDerWaalsContact C-N 3.29Å; I238-L243 HydrophobicContact CG2-CD1 4.1Å; I238-L243 HydrophobicContact CG2-CD2 4.35Å; I238-L243 HydrophobicContact CG2-CG 4.11Å; I238-L277 HydrophobicContact CD1-CD1 4.28Å; I238-L277 HydrophobicContact CD1-CD2 4.33Å; I238-L277 HydrophobicContact CG2-CD2 4.48Å
239	E	94.4	Very high	87.6	Confident	81 Å²	81	69.7 Å²	69.7	38%	0.379	37%	0.367	S	S	.	.			trans	-107.7	168.4	176.6	-64.3	-167.9	147.3	0	0	111.7	E237 K241 D242	E237-E239 PolarHBondContact O-N 3.49Å; E239-K241 VanDerWaalsContact C-N 3.28Å; E239-K241 HydrophobicContact CB-CG 4.2Å; E239-K241 PolarHBondContact O-N 2.82Å; E239-K241 WeakPolarHBondContact OE2-CE 3.36Å; E239-K241 IonicContact OE2-NZ 3.71Å; E239-K241 PolarHBondContact OE2-NZ 3.04Å; E239-D242 PolarHBondContact N-OD2 2.82Å; E239-D242 PolarHBondContact O-N 3.13Å
240	L	91.4	Very high	85.9	Confident	47 Å²	47	65.5 Å²	65.5	25%	0.246	36%	0.355	C	S	.	.	H	α-helix	trans	-59.7	-39.7	179.7	-177.3	60.6	0	0	0	111.8	I81 I85 D242 L243 E244 P275	I81-L240 HydrophobicContact CG2-CB 4.34Å; I81-L240 HydrophobicContact CG2-CD1 4.24Å; I85-L240 HydrophobicContact CD1-CD1 3.95Å; I85-L240 HydrophobicContact CD1-CD2 3.94Å; I85-L240 HydrophobicContact CD1-CG 4.46Å; L240-D242 PolarHBondContact O-N 3.37Å; L240-L243 CarbonylContact O-C 3.53Å; L240-L243 WeakPolarHBondContact O-CA 3.24Å; L240-L243 PolarHBondContact O-N 3.46Å; L240-E244 HydrophobicContact CD1-CG 4.49Å; L240-E244 HydrophobicContact CG-CG 4.06Å; L240-E244 WeakPolarHBondContact CG-OE1 3.35Å; L240-E244 WeakPolarHBondContact O-CG 3.37Å; L240-E244 PolarHBondContact O-N 3.13Å; L240-P275 HydrophobicContact CD1-CG 3.87Å
241	K	90.3	Very high	84.1	Confident	121 Å²	121	59.8 Å²	59.8	53%	0.526	33%	0.33	S	S	.	.	H	α-helix	trans	-58.1	-31.8	179.6	73.8	-167.5	-174.8	-156.1	0	113.5	E239 L243	E239-K241 VanDerWaalsContact C-N 3.28Å; E239-K241 HydrophobicContact CB-CG 4.2Å; E239-K241 PolarHBondContact O-N 2.82Å; E239-K241 WeakPolarHBondContact OE2-CE 3.36Å; E239-K241 IonicContact OE2-NZ 3.71Å; E239-K241 PolarHBondContact OE2-NZ 3.04Å; K241-L243 PolarHBondContact O-N 3.08Å
242	D	91.3	Very high	82.2	Confident	48 Å²	48	60 Å²	60	26%	0.257	32%	0.318	S	S	.	.	H	α-helix	trans	-72	-27	179.7	-53.3	-48.1	0	0	0	110.7	T224 F228 E239 L240	T224-D242 HydrophobicContact CG2-CB 4.31Å; F228-D242 HydrophobicContact CE2-CB 4.39Å; F228-D242 HydrophobicContact CZ-CB 4.38Å; E239-D242 PolarHBondContact N-OD2 2.82Å; E239-D242 PolarHBondContact O-N 3.13Å; L240-D242 PolarHBondContact O-N 3.37Å
243	L	89.9	Confident	80.1	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-96.4	-22.6	179.9	-59.1	173	0	0	0	112.4	I81 I221 T224 I238 L240 K241 T245 T246 L247 P275 L277	I81-L243 HydrophobicContact CD1-CD1 3.53Å; I221-L243 HydrophobicContact CG1-CD2 4.46Å; I221-L243 HydrophobicContact CG2-CD2 4.23Å; T224-L243 HydrophobicContact CG2-CD2 3.83Å; I238-L243 HydrophobicContact CG2-CD1 4.1Å; I238-L243 HydrophobicContact CG2-CD2 4.35Å; I238-L243 HydrophobicContact CG2-CG 4.11Å; L240-L243 CarbonylContact O-C 3.53Å; L240-L243 WeakPolarHBondContact O-CA 3.24Å; L240-L243 PolarHBondContact O-N 3.46Å; K241-L243 PolarHBondContact O-N 3.08Å; L243-T245 PolarHBondContact O-N 3.34Å; L243-T246 PolarHBondContact O-N 3.14Å; L243-L247 HydrophobicContact CB-CD1 4.29Å; L243-L247 VanDerWaalsContact O-CB 3.28Å; L243-L247 WeakPolarHBondContact O-CB 3.38Å; L243-L247 VanDerWaalsContact O-CG 3.25Å; L243-L247 WeakPolarHBondContact O-CG 3.43Å; L243-L247 PolarHBondContact O-N 2.04Å; L243-P275 HydrophobicContact CB-CG 4.44Å; L243-P275 HydrophobicContact CD1-CB 3.68Å; L243-P275 HydrophobicContact CD1-CG 3.56Å; L243-L277 HydrophobicContact CD1-CD2 4.03Å; L243-L277 HydrophobicContact CD2-CD2 4.43Å
244	E	77.2	Confident	77.9	Confident	95 Å²	95	60.7 Å²	60.7	44%	0.444	31%	0.311	S	S	.	.	H	α-helix	trans	-58.1	-45.4	-178.6	-85.4	170.3	-173.8	0	0	112.1	L240 T246 S248	L240-E244 HydrophobicContact CD1-CG 4.49Å; L240-E244 HydrophobicContact CG-CG 4.06Å; L240-E244 WeakPolarHBondContact CG-OE1 3.35Å; L240-E244 WeakPolarHBondContact O-CG 3.37Å; L240-E244 PolarHBondContact O-N 3.13Å; E244-T246 VanDerWaalsContact C-N 3.27Å; E244-T246 PolarHBondContact O-N 3.08Å; E244-S248 WeakPolarHBondContact O-CB 3.28Å; E244-S248 PolarHBondContact O-N 3.44Å; E244-S248 PolarHBondContact O-OG 3.04Å
245	T	70.8	Confident	75.5	Confident	91 Å²	91	61.3 Å²	61.3	56%	0.558	31%	0.314	S	S	*	.	H	α-helix	trans	-62.2	-40.7	178.6	-54.4	0	0	0	0	110.8	L243 S248 L249	L243-T245 PolarHBondContact O-N 3.34Å; T245-S248 PolarHBondContact O-N 3.16Å; T245-L249 HydrophobicContact CG2-CD1 4.18Å; T245-L249 VanDerWaalsContact O-CG 3.31Å; T245-L249 WeakPolarHBondContact O-CG 3.32Å; T245-L249 PolarHBondContact O-N 2.72Å
246	T	68.9	Low	73.2	Confident	30 Å²	30	70.3 Å²	70.3	18%	0.184	35%	0.354	C	S	.	.	H	α-helix	trans	-75.6	-41.5	-176.6	-57.3	0	0	0	0	112.8	G220 T224 L243 E244 S248 S250	G220-T246 WeakPolarHBondContact O-CG2 3.3Å; T224-T246 PolarHBondContact OG1-OG1 3.06Å; L243-T246 PolarHBondContact O-N 3.14Å; E244-T246 VanDerWaalsContact C-N 3.27Å; E244-T246 PolarHBondContact O-N 3.08Å; T246-S248 VanDerWaalsContact C-N 3.27Å; T246-S250 WeakPolarHBondContact O-CB 3.36Å; T246-S250 PolarHBondContact O-N 2.81Å; T246-S250 PolarHBondContact O-OG 3.43Å
247	L	68.6	Low	71.1	Confident	7 Å²	7	65.3 Å²	65.3	4%	0.037	33%	0.332	C	S	.	.	H	α-helix	trans	-59.9	-43.1	169.4	-75.6	170.7	0	0	0	109.8	H108 I221 L243 S250 V251 P275	H108-L247 HydrophobicContact CB-CD2 3.99Å; I221-L247 HydrophobicContact CD1-CD2 3.89Å; I221-L247 HydrophobicContact CG1-CD2 4.24Å; L243-L247 HydrophobicContact CB-CD1 4.29Å; L243-L247 VanDerWaalsContact O-CB 3.28Å; L243-L247 WeakPolarHBondContact O-CB 3.38Å; L243-L247 VanDerWaalsContact O-CG 3.25Å; L243-L247 WeakPolarHBondContact O-CG 3.43Å; L243-L247 PolarHBondContact O-N 2.04Å; L247-S250 PolarHBondContact O-N 3.1Å; L247-V251 HydrophobicContact CD2-CG2 4.39Å; L247-V251 WeakPolarHBondContact O-CA 3.05Å; L247-V251 WeakPolarHBondContact O-CB 3.48Å; L247-V251 WeakPolarHBondContact O-CG2 3.42Å; L247-V251 PolarHBondContact O-N 3.33Å; L247-P275 HydrophobicContact CD1-CB 4.16Å; L247-P275 HydrophobicContact CD1-CG 4.34Å
248	S	64.8	Low	68.9	Low	41 Å²	41	61.3 Å²	61.3	29%	0.287	32%	0.316	S	S	.	.	H	α-helix	trans	-62.3	-52.2	179.2	-62.2	0	0	0	0	111.3	E244 T245 T246 S250 F252	E244-S248 WeakPolarHBondContact O-CB 3.28Å; E244-S248 PolarHBondContact O-N 3.44Å; E244-S248 PolarHBondContact O-OG 3.04Å; T245-S248 PolarHBondContact O-N 3.16Å; T246-S248 VanDerWaalsContact C-N 3.27Å; S248-S250 PolarHBondContact O-N 2.56Å; S248-F252 VanDerWaalsContact C-CD2 3.42Å; S248-F252 VanDerWaalsContact O-CA 3.23Å; S248-F252 WeakPolarHBondContact O-CA 3.48Å; S248-F252 WeakPolarHBondContact O-CB 3.03Å; S248-F252 WeakPolarHBondContact O-CD2 3.03Å; S248-F252 WeakPolarHBondContact O-CG 3.43Å; S248-F252 PolarHBondContact O-N 3.19Å; S248-F252 WeakPolarHBondContact OG-CE2 3.33Å
249	L	61.1	Low	66.8	Low	98 Å²	98	61.2 Å²	61.2	51%	0.513	32%	0.315	S	S	.	.	H	α-helix	trans	-66.2	-38.6	179.7	-64.8	171.5	0	0	0	112.3	T245 N253	T245-L249 HydrophobicContact CG2-CD1 4.18Å; T245-L249 VanDerWaalsContact O-CG 3.31Å; T245-L249 WeakPolarHBondContact O-CG 3.32Å; T245-L249 PolarHBondContact O-N 2.72Å; L249-N253 WeakPolarHBondContact CD2-ND2 3.37Å; L249-N253 WeakPolarHBondContact O-CA 3.44Å; L249-N253 WeakPolarHBondContact O-CB 3.39Å; L249-N253 PolarHBondContact O-N 2.89Å
250	S	60.7	Low	64.7	Low	26 Å²	26	60 Å²	60	18%	0.182	31%	0.308	C	S	.	.	H	α-helix	trans	-86.2	-27.1	-172.2	-50	0	0	0	0	114.1	T246 L247 S248 N254	T246-S250 WeakPolarHBondContact O-CB 3.36Å; T246-S250 PolarHBondContact O-N 2.81Å; T246-S250 PolarHBondContact O-OG 3.43Å; L247-S250 PolarHBondContact O-N 3.1Å; S248-S250 PolarHBondContact O-N 2.56Å; S250-N254 VanDerWaalsContact O-CB 3.22Å; S250-N254 WeakPolarHBondContact O-CB 3.33Å
251	V	59.3	Low	62.6	Low	1 Å²	1	63.1 Å²	63.1	1%	0.006	32%	0.322	C	S	.	.	H	α-helix	trans	-91.9	-33.2	174.5	-175.3	0	0	0	0	110	L247 F259 I265 F273	L247-V251 HydrophobicContact CD2-CG2 4.39Å; L247-V251 WeakPolarHBondContact O-CA 3.05Å; L247-V251 WeakPolarHBondContact O-CB 3.48Å; L247-V251 WeakPolarHBondContact O-CG2 3.42Å; L247-V251 PolarHBondContact O-N 3.33Å; V251-F259 HydrophobicContact CG1-CD1 3.71Å; V251-F259 HydrophobicContact CG1-CE1 4.24Å; V251-I265 HydrophobicContact CG1-CD1 3.94Å; V251-F273 HydrophobicContact CG1-CE1 4.5Å
252	F	57.8	Low	60.7	Low	73 Å²	73	57.5 Å²	57.5	32%	0.32	30%	0.298	S	S	.	.	H	α-helix	trans	-97.2	-12.3	-177.5	-40.9	-38.5	0	0	0	115.9	S248 F260 I265 F273	S248-F252 VanDerWaalsContact C-CD2 3.42Å; S248-F252 VanDerWaalsContact O-CA 3.23Å; S248-F252 WeakPolarHBondContact O-CA 3.48Å; S248-F252 WeakPolarHBondContact O-CB 3.03Å; S248-F252 WeakPolarHBondContact O-CD2 3.03Å; S248-F252 WeakPolarHBondContact O-CG 3.43Å; S248-F252 PolarHBondContact O-N 3.19Å; S248-F252 WeakPolarHBondContact OG-CE2 3.33Å; F252-F260 VanDerWaalsContact C-CD2 3.48Å; F252-F260 VanDerWaalsContact O-CD2 3.24Å; F252-F260 WeakPolarHBondContact O-CD2 3.43Å; F252-F260 WeakPolarHBondContact O-CE2 3.38Å; F252-I265 HydrophobicContact CD1-CB 4.39Å; F252-I265 HydrophobicContact CD1-CD1 3.46Å; F252-I265 VanDerWaalsContact CD1-CD1 3.46Å; F252-I265 HydrophobicContact CD1-CG1 4.3Å; F252-I265 HydrophobicContact CD1-CG2 3.55Å; F252-I265 HydrophobicContact CE1-CB 4.24Å; F252-I265 HydrophobicContact CE1-CD1 3.58Å; F252-I265 HydrophobicContact CE1-CG1 4.05Å; F252-I265 HydrophobicContact CE1-CG2 3.27Å; F252-I265 HydrophobicContact CG-CG2 4.42Å; F252-I265 HydrophobicContact CZ-CG2 3.93Å; F252-F273 HydrophobicContact CE1-CZ 4.15Å; F252-F273 HydrophobicContact CZ-CZ 4.48Å
253	N	52.3	Low	58.9	Low	102 Å²	102	57.1 Å²	57.1	55%	0.545	30%	0.299	S	S	.	.	S	Bend	trans	-119.7	2.3	178.5	-64.6	-34.4	0	0	0	115.5	L249 N255 F260	L249-N253 WeakPolarHBondContact CD2-ND2 3.37Å; L249-N253 WeakPolarHBondContact O-CA 3.44Å; L249-N253 WeakPolarHBondContact O-CB 3.39Å; L249-N253 PolarHBondContact O-N 2.89Å; N253-N255 PolarHBondContact O-N 3.46Å; N253-F260 VanDerWaalsContact C-CE2 3.45Å; N253-F260 VanDerWaalsContact CA-CE2 3.47Å
254	N	52.2	Low	57.3	Low	84 Å²	84	57.1 Å²	57.1	45%	0.449	30%	0.299	S	S	.	.			trans	-95.4	95.4	-170.5	-140.5	-5.6	0	0	0	111.8	S250 K256 S257 F260	S250-N254 VanDerWaalsContact O-CB 3.22Å; S250-N254 WeakPolarHBondContact O-CB 3.33Å; N254-K256 PolarHBondContact O-N 3.29Å; N254-S257 PolarHBondContact O-N 3.06Å; N254-S257 VanDerWaalsContact O-N 3.17Å; N254-F260 WeakPolarHBondContact O-CB 3.26Å; N254-F260 VanDerWaalsContact O-CG 3.24Å; N254-F260 WeakPolarHBondContact O-CG 3.4Å
255	N	47.3	Very low	56.4	Low	116 Å²	116	53.9 Å²	53.9	62%	0.62	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-1.4	-177.9	-62.2	-13.3	0	0	0	116.8	N253 F260	N253-N255 PolarHBondContact O-N 3.46Å; N255-F260 HydrophobicContact CB-CE1 4.26Å; N255-F260 WeakPolarHBondContact OD1-CE1 3.44Å; N255-F260 WeakPolarHBondContact OD1-CZ 3.42Å
256	K	47.7	Very low	55.7	Low	203 Å²	203	56 Å²	56	88%	0.883	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.2	-9.4	-176.5	-67.6	-174	179.6	179.8	0	114.5	N254	N254-K256 PolarHBondContact O-N 3.29Å
257	S	53.7	Low	55.2	Low	12 Å²	12	60.3 Å²	60.3	8%	0.084	31%	0.308	C	S	.	.	S	Bend	trans	-91.1	135.7	177.1	81.8	0	0	0	0	110.4	N254 F259 F260	N254-S257 PolarHBondContact O-N 3.06Å; N254-S257 VanDerWaalsContact O-N 3.17Å; S257-F259 PolarHBondContact O-N 2.83Å; S257-F259 VanDerWaalsContact O-N 3.12Å; S257-F260 WeakPolarHBondContact O-CB 3.22Å; S257-F260 PolarHBondContact O-N 3.2Å; S257-F260 VanDerWaalsContact O-N 3.11Å; S257-F260 WeakPolarHBondContact OG-CB 3.46Å; S257-F260 PolarHBondContact OG-N 3.38Å
258	G	50.3	Low	55.3	Low	9 Å²	9	65.7 Å²	65.7	9%	0.093	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-25.7	178	0	0	0	0	0	113.2	D180 I187 T262	D180-G258 PolarHBondContact O-N 2.87Å; D180-G258 VanDerWaalsContact O-N 3.08Å; I187-G258 WeakPolarHBondContact CD1-O 3.48Å; G258-T262 WeakPolarHBondContact O-CG2 3.4Å
259	F	52	Low	56.3	Low	0 Å²	0	63.8 Å²	63.8	0%	0	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-36.8	177.8	-143.3	-106.1	0	0	0	113	S106 M179 F212 V251 S257 H261 T262 L264 I265 V270 F273	S106-F259 WeakPolarHBondContact OG-CZ 3.29Å; M179-F259 HydrophobicContact CB-CD2 4.47Å; M179-F259 HydrophobicContact CE-CD2 4.12Å; M179-F259 HydrophobicContact CE-CE2 3.83Å; M179-F259 HydrophobicContact CG-CD2 3.46Å; M179-F259 VanDerWaalsContact CG-CD2 3.46Å; M179-F259 HydrophobicContact CG-CE2 3.5Å; M179-F259 VanDerWaalsContact CG-CE2 3.5Å; F212-F259 HydrophobicContact CB-CE2 4.44Å; F212-F259 HydrophobicContact CD2-CE2 4.04Å; F212-F259 AromaticContact CD2-CZ 4Å; F212-F259 HydrophobicContact CD2-CZ 4Å; F212-F259 HydrophobicContact CG-CE2 4.45Å; V251-F259 HydrophobicContact CG1-CD1 3.71Å; V251-F259 HydrophobicContact CG1-CE1 4.24Å; S257-F259 PolarHBondContact O-N 2.83Å; S257-F259 VanDerWaalsContact O-N 3.12Å; F259-H261 VanDerWaalsContact C-N 3.29Å; F259-H261 PolarHBondContact O-N 2.97Å; F259-T262 PolarHBondContact O-N 3.3Å; F259-T262 PolarHBondContact O-OG1 2.83Å; F259-L264 HydrophobicContact CE2-CD1 3.99Å; F259-L264 HydrophobicContact CZ-CD1 4.13Å; F259-I265 HydrophobicContact CD1-CD1 3.98Å; F259-I265 HydrophobicContact CE1-CD1 4.11Å; F259-I265 HydrophobicContact CE1-CG1 4.42Å; F259-V270 HydrophobicContact CZ-CG2 4.38Å; F259-F273 HydrophobicContact CE1-CE1 4.32Å
260	F	50.7	Low	57.6	Low	55 Å²	55	59.6 Å²	59.6	24%	0.241	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-33	-178.8	168.2	-97.9	0	0	0	113.1	F252 N253 N254 N255 S257 T262	F252-F260 VanDerWaalsContact C-CD2 3.48Å; F252-F260 VanDerWaalsContact O-CD2 3.24Å; F252-F260 WeakPolarHBondContact O-CD2 3.43Å; F252-F260 WeakPolarHBondContact O-CE2 3.38Å; N253-F260 VanDerWaalsContact C-CE2 3.45Å; N253-F260 VanDerWaalsContact CA-CE2 3.47Å; N254-F260 WeakPolarHBondContact O-CB 3.26Å; N254-F260 VanDerWaalsContact O-CG 3.24Å; N254-F260 WeakPolarHBondContact O-CG 3.4Å; N255-F260 HydrophobicContact CB-CE1 4.26Å; N255-F260 WeakPolarHBondContact OD1-CE1 3.44Å; N255-F260 WeakPolarHBondContact OD1-CZ 3.42Å; S257-F260 WeakPolarHBondContact O-CB 3.22Å; S257-F260 PolarHBondContact O-N 3.2Å; S257-F260 VanDerWaalsContact O-N 3.11Å; S257-F260 WeakPolarHBondContact OG-CB 3.46Å; S257-F260 PolarHBondContact OG-N 3.38Å; F260-T262 PolarHBondContact O-N 3.05Å
261	H	48.2	Very low	59.1	Low	114 Å²	114	60.8 Å²	60.8	53%	0.528	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	7.1	-178.1	-77.9	-62.9	0	0	0	114.5	P184 F259	P184-H261 HydrophobicContact CB-CB 3.93Å; P184-H261 HydrophobicContact CG-CB 3.88Å; F259-H261 VanDerWaalsContact C-N 3.29Å; F259-H261 PolarHBondContact O-N 2.97Å
262	T	50.9	Low	60.6	Low	3 Å²	3	65 Å²	65	2%	0.018	33%	0.325	C	S	.	.			trans	-115	122.6	-170.1	70.4	0	0	0	0	110.9	P184 I187 G258 F259 F260 L264	P184-T262 HydrophobicContact CB-CG2 4.18Å; I187-T262 HydrophobicContact CB-CG2 3.56Å; I187-T262 HydrophobicContact CD1-CG2 3.74Å; I187-T262 HydrophobicContact CG1-CG2 4.2Å; I187-T262 HydrophobicContact CG2-CG2 3.53Å; G258-T262 WeakPolarHBondContact O-CG2 3.4Å; F259-T262 PolarHBondContact O-N 3.3Å; F259-T262 PolarHBondContact O-OG1 2.83Å; F260-T262 PolarHBondContact O-N 3.05Å; T262-L264 PolarHBondContact O-N 2.98Å
263	S	52.3	Low	62.2	Low	40 Å²	40	63.9 Å²	63.9	28%	0.28	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	17.1	164.9	60.4	0	0	0	0	115.8	K191 I265 K267	K191-S263 PolarHBondContact NZ-OG 3.31Å; S263-I265 PolarHBondContact O-N 2.99Å; S263-K267 WeakPolarHBondContact O-CB 3.46Å; S263-K267 PolarHBondContact O-N 3.45Å
264	L	57.3	Low	64.3	Low	0 Å²	0	59 Å²	59	0%	0	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-38.6	164.3	-75.4	-176.6	0	0	0	111.2	M179 I187 K191 L194 F212 F259 T262 L269	M179-L264 HydrophobicContact CE-CD1 4.32Å; I187-L264 HydrophobicContact CG2-CD1 3.25Å; I187-L264 HydrophobicContact CG2-CD2 4.44Å; I187-L264 HydrophobicContact CG2-CG 3.78Å; K191-L264 HydrophobicContact CB-CD2 4.5Å; K191-L264 HydrophobicContact CD-CD2 4.39Å; K191-L264 HydrophobicContact CG-CD2 3.7Å; K191-L264 HydrophobicContact CG-CG 4.31Å; L194-L264 HydrophobicContact CD1-CD2 3.37Å; F212-L264 HydrophobicContact CE2-CD1 4.21Å; F259-L264 HydrophobicContact CE2-CD1 3.99Å; F259-L264 HydrophobicContact CZ-CD1 4.13Å; T262-L264 PolarHBondContact O-N 2.98Å; L264-L269 HydrophobicContact CD2-CB 4.16Å; L264-L269 HydrophobicContact CD2-CD1 3.86Å; L264-L269 VanDerWaalsContact O-CB 3.32Å; L264-L269 WeakPolarHBondContact O-CB 3.04Å; L264-L269 PolarHBondContact O-N 3.25Å
265	I	57	Low	66.3	Low	26 Å²	26	55 Å²	55	13%	0.133	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-45.1	-176.2	-60.3	168.2	0	0	0	109.8	V251 F252 F259 S263 K267 N268 F273	V251-I265 HydrophobicContact CG1-CD1 3.94Å; F252-I265 HydrophobicContact CD1-CB 4.39Å; F252-I265 HydrophobicContact CD1-CD1 3.46Å; F252-I265 VanDerWaalsContact CD1-CD1 3.46Å; F252-I265 HydrophobicContact CD1-CG1 4.3Å; F252-I265 HydrophobicContact CD1-CG2 3.55Å; F252-I265 HydrophobicContact CE1-CB 4.24Å; F252-I265 HydrophobicContact CE1-CD1 3.58Å; F252-I265 HydrophobicContact CE1-CG1 4.05Å; F252-I265 HydrophobicContact CE1-CG2 3.27Å; F252-I265 HydrophobicContact CG-CG2 4.42Å; F252-I265 HydrophobicContact CZ-CG2 3.93Å; F259-I265 HydrophobicContact CD1-CD1 3.98Å; F259-I265 HydrophobicContact CE1-CD1 4.11Å; F259-I265 HydrophobicContact CE1-CG1 4.42Å; S263-I265 PolarHBondContact O-N 2.99Å; I265-K267 PolarHBondContact O-N 2.83Å; I265-N268 PolarHBondContact O-N 2.85Å; I265-F273 HydrophobicContact CG1-CZ 4.19Å
266	D	55.7	Low	68.7	Low	137 Å²	137	49.5 Å²	49.5	73%	0.733	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-23.2	179.1	-59.2	-26.2	0	0	0	113.8
267	K	60.2	Low	71.1	Confident	119 Å²	119	39.9 Å²	39.9	52%	0.517	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	8.1	178.1	-70.7	-170.7	173	-166.5	0	114.4	S263 I265 L269	S263-K267 WeakPolarHBondContact O-CB 3.46Å; S263-K267 PolarHBondContact O-N 3.45Å; I265-K267 PolarHBondContact O-N 2.83Å; K267-L269 HydrophobicContact CB-CD1 4.26Å; K267-L269 HydrophobicContact CB-CD2 4.28Å; K267-L269 HydrophobicContact CB-CG 3.83Å; K267-L269 PolarHBondContact O-N 3.49Å
268	N	70.7	Confident	73.2	Confident	121 Å²	121	39.4 Å²	39.4	65%	0.647	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.6	40.9	-174.4	-65	-37.5	0	0	0	112.8	K101 I265 V270	K101-N268 PolarHBondContact NZ-O 3.35Å; I265-N268 PolarHBondContact O-N 2.85Å; N268-V270 VanDerWaalsContact C-N 3.33Å
269	L	84.8	Confident	75.5	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.195	C	C	.	.			trans	-74.5	-26.6	179.3	-63.8	179	0	0	0	111.7	K101 V104 K191 L194 D195 L264 K267	K101-L269 PolarHBondContact NZ-O 2.98Å; V104-L269 VanDerWaalsContact CB-O 3.3Å; V104-L269 WeakPolarHBondContact CB-O 3.46Å; V104-L269 VanDerWaalsContact CG2-O 3.32Å; V104-L269 WeakPolarHBondContact CG2-O 3.47Å; K191-L269 HydrophobicContact CB-CD1 4.11Å; K191-L269 HydrophobicContact CG-CD1 4.4Å; L194-L269 HydrophobicContact CB-CB 4.19Å; L194-L269 HydrophobicContact CB-CD1 4.48Å; L194-L269 HydrophobicContact CB-CD2 4.48Å; D195-L269 HydrophobicContact CB-CD2 3.87Å; L264-L269 HydrophobicContact CD2-CB 4.16Å; L264-L269 HydrophobicContact CD2-CD1 3.86Å; L264-L269 VanDerWaalsContact O-CB 3.32Å; L264-L269 WeakPolarHBondContact O-CB 3.04Å; L264-L269 PolarHBondContact O-N 3.25Å; K267-L269 HydrophobicContact CB-CD1 4.26Å; K267-L269 HydrophobicContact CB-CD2 4.28Å; K267-L269 HydrophobicContact CB-CG 3.83Å; K267-L269 PolarHBondContact O-N 3.49Å
270	V	89.3	Confident	77.7	Confident	10 Å²	10	41.1 Å²	41.1	6%	0.061	20%	0.203	C	C	.	.			trans	-81.6	126.3	169.8	178.9	0	0	0	0	109.5	V104 F259 N268 F273	V104-V270 HydrophobicContact CG1-CB 4.47Å; V104-V270 HydrophobicContact CG1-CG2 4.21Å; F259-V270 HydrophobicContact CZ-CG2 4.38Å; N268-V270 VanDerWaalsContact C-N 3.33Å; V270-F273 HydrophobicContact CB-CE1 4.41Å; V270-F273 HydrophobicContact CB-CE2 4.01Å; V270-F273 HydrophobicContact CB-CZ 3.82Å; V270-F273 HydrophobicContact CG1-CD1 4.29Å; V270-F273 HydrophobicContact CG1-CD2 4.11Å; V270-F273 HydrophobicContact CG1-CE1 4.03Å; V270-F273 HydrophobicContact CG1-CE2 3.83Å; V270-F273 HydrophobicContact CG1-CG 4.33Å; V270-F273 HydrophobicContact CG1-CZ 3.79Å; V270-F273 HydrophobicContact CG2-CE1 4.48Å; V270-F273 HydrophobicContact CG2-CZ 4.14Å
271	D	91	Very high	79.9	Confident	52 Å²	52	41.7 Å²	41.7	28%	0.278	20%	0.204	S	C	.	.	S	Bend	trans	-80.9	-42.3	177.9	-63.5	-55.3	0	0	0	111.9	K101 L103 V104	K101-D271 WeakPolarHBondContact CD-OD1 3.35Å; K101-D271 WeakPolarHBondContact CE-OD1 3.44Å; K101-D271 WeakPolarHBondContact CE-OD2 3.48Å; K101-D271 VanDerWaalsContact NZ-CG 3.32Å; K101-D271 IonicContact NZ-OD1 2.56Å; K101-D271 PolarHBondContact NZ-OD1 2.98Å; K101-D271 IonicContact NZ-OD2 2.82Å; L103-D271 HydrophobicContact CD1-CB 4.48Å; V104-D271 PolarHBondContact N-OD2 2.63Å; V104-D271 PolarHBondContact O-N 2.66Å
272	F	92.1	Very high	82.2	Confident	90 Å²	90	42.9 Å²	42.9	40%	0.395	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	126	-176.8	-58.6	-79.7	0	0	0	111.7	I85 A89 L103 V104 L105 S106 V274	I85-F272 HydrophobicContact CG2-CB 4Å; I85-F272 HydrophobicContact CG2-CD1 4.2Å; I85-F272 HydrophobicContact CG2-CG 4.22Å; A89-F272 HydrophobicContact CB-CD2 3.53Å; A89-F272 HydrophobicContact CB-CE2 3.51Å; A89-F272 HydrophobicContact CB-CG 4.17Å; A89-F272 HydrophobicContact CB-CZ 4.13Å; L103-F272 HydrophobicContact CD1-CD2 4.18Å; L103-F272 HydrophobicContact CD1-CE2 4.2Å; V104-F272 PolarHBondContact O-N 3.08Å; L105-F272 HydrophobicContact CD2-CB 3.95Å; L105-F272 HydrophobicContact CD2-CD2 3.87Å; L105-F272 HydrophobicContact CD2-CG 4.34Å; S106-F272 PolarHBondContact N-O 2.94Å; F272-V274 HydrophobicContact CB-CG2 4.3Å
273	F	90.8	Very high	84.5	Confident	49 Å²	49	43.4 Å²	43.4	22%	0.215	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	122.6	164.4	-67.5	-86	0	0	0	109.2	S106 H108 V251 F252 F259 I265 V270 P275	S106-F273 WeakPolarHBondContact O-CA 3.32Å; H108-F273 AromaticContact CD2-CD1 3.96Å; H108-F273 AromaticContact NE2-CD1 3.72Å; V251-F273 HydrophobicContact CG1-CE1 4.5Å; F252-F273 HydrophobicContact CE1-CZ 4.15Å; F252-F273 HydrophobicContact CZ-CZ 4.48Å; F259-F273 HydrophobicContact CE1-CE1 4.32Å; I265-F273 HydrophobicContact CG1-CZ 4.19Å; V270-F273 HydrophobicContact CB-CE1 4.41Å; V270-F273 HydrophobicContact CB-CE2 4.01Å; V270-F273 HydrophobicContact CB-CZ 3.82Å; V270-F273 HydrophobicContact CG1-CD1 4.29Å; V270-F273 HydrophobicContact CG1-CD2 4.11Å; V270-F273 HydrophobicContact CG1-CE1 4.03Å; V270-F273 HydrophobicContact CG1-CE2 3.83Å; V270-F273 HydrophobicContact CG1-CG 4.33Å; V270-F273 HydrophobicContact CG1-CZ 3.79Å; V270-F273 HydrophobicContact CG2-CE1 4.48Å; V270-F273 HydrophobicContact CG2-CZ 4.14Å; F273-P275 WeakPolarHBondContact O-CD 3.1Å
274	V	95.3	Very high	86.7	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	100.5	-171.1	-171	0	0	0	0	109.2	A82 I85 I86 S106 L107 H108 F272 F276	A82-V274 HydrophobicContact CB-CG1 3.74Å; I85-V274 HydrophobicContact CG2-CG2 3.89Å; I86-V274 HydrophobicContact CD1-CG1 3.88Å; I86-V274 HydrophobicContact CG1-CG1 3.99Å; S106-V274 PolarHBondContact O-N 3.48Å; L107-V274 WeakPolarHBondContact CA-O 3.09Å; L107-V274 HydrophobicContact CD1-CB 4.35Å; L107-V274 HydrophobicContact CD1-CG2 4.31Å; L107-V274 HydrophobicContact CG-CB 4.06Å; L107-V274 HydrophobicContact CG-CG1 4.42Å; H108-V274 PolarHBondContact N-O 3.42Å; F272-V274 HydrophobicContact CB-CG2 4.3Å; V274-F276 HydrophobicContact CG1-CE2 3.94Å
275	P	95.9	Very high	88.6	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	142.2	179.7	28	-31.8	0	0	0	112.3	I81 H108 I221 L240 L243 L247 F273	I81-P275 HydrophobicContact CG2-CG 3.85Å; H108-P275 CarbonylContact O-C 3.31Å; H108-P275 WeakPolarHBondContact O-CA 3.47Å; I221-P275 HydrophobicContact CD1-CB 4.05Å; I221-P275 HydrophobicContact CG1-CB 4.49Å; L240-P275 HydrophobicContact CD1-CG 3.87Å; L243-P275 HydrophobicContact CB-CG 4.44Å; L243-P275 HydrophobicContact CD1-CB 3.68Å; L243-P275 HydrophobicContact CD1-CG 3.56Å; L247-P275 HydrophobicContact CD1-CB 4.16Å; L247-P275 HydrophobicContact CD1-CG 4.34Å; F273-P275 WeakPolarHBondContact O-CD 3.1Å
276	F	97.6	Very high	90.5	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	113.5	172.4	-79	-107.8	0	0	0	109.5	L76 Q79 A82 I86 L107 H108 G109 T113 K115 V118 V274	L76-F276 HydrophobicContact CD1-CE1 4.38Å; Q79-F276 HydrophobicContact CG-CD1 4.02Å; Q79-F276 HydrophobicContact CG-CE1 4.37Å; Q79-F276 VanDerWaalsContact OE1-CA 3.28Å; A82-F276 HydrophobicContact CB-CD2 4.4Å; A82-F276 HydrophobicContact CB-CE1 4.35Å; A82-F276 HydrophobicContact CB-CE2 4.01Å; A82-F276 HydrophobicContact CB-CZ 4Å; I86-F276 HydrophobicContact CD1-CZ 4.41Å; L107-F276 HydrophobicContact CB-CD2 4.32Å; L107-F276 HydrophobicContact CB-CE2 3.85Å; L107-F276 HydrophobicContact CD2-CE2 3.66Å; L107-F276 HydrophobicContact CD2-CZ 3.82Å; L107-F276 HydrophobicContact CG-CE2 3.71Å; L107-F276 HydrophobicContact CG-CZ 4.38Å; H108-F276 PolarHBondContact O-N 3.2Å; G109-F276 WeakPolarHBondContact CA-O 3.46Å; T113-F276 WeakPolarHBondContact OG1-CB 3.26Å; K115-F276 HydrophobicContact CG-CB 4.31Å; K115-F276 HydrophobicContact CG-CD1 4.09Å; K115-F276 HydrophobicContact CG-CD2 3.82Å; K115-F276 HydrophobicContact CG-CE1 4.37Å; K115-F276 HydrophobicContact CG-CE2 4.14Å; K115-F276 HydrophobicContact CG-CG 3.8Å; K115-F276 HydrophobicContact CG-CZ 4.4Å; V118-F276 HydrophobicContact CB-CZ 4.2Å; V118-F276 HydrophobicContact CG2-CE1 3.88Å; V118-F276 HydrophobicContact CG2-CZ 3.83Å; V274-F276 HydrophobicContact CG1-CE2 3.94Å
277	L	97.9	Very high	92.5	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-72.3	149.2	-179.1	-65.9	175.2	0	0	0	110.9	Q79 I81 T113 I221 A225 R235 I238 L243	Q79-L277 PolarHBondContact NE2-O 3.42Å; I81-L277 HydrophobicContact CD1-CD1 4.4Å; T113-L277 VanDerWaalsContact CG2-O 3.27Å; T113-L277 WeakPolarHBondContact CG2-O 3.33Å; I221-L277 HydrophobicContact CG2-CD2 3.78Å; A225-L277 HydrophobicContact CB-CD2 4.36Å; R235-L277 HydrophobicContact CG-CD1 4.27Å; I238-L277 HydrophobicContact CD1-CD1 4.28Å; I238-L277 HydrophobicContact CD1-CD2 4.33Å; I238-L277 HydrophobicContact CG2-CD2 4.48Å; L243-L277 HydrophobicContact CD1-CD2 4.03Å; L243-L277 HydrophobicContact CD2-CD2 4.43Å
278	P	97.8	Very high	94.3	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.006	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-63.1	145.7	173.7	30	-37.5	0	0	0	111.2	I222 A225 R235 F314 F321	I222-P278 HydrophobicContact CG1-CB 3.94Å; I222-P278 HydrophobicContact CG1-CG 3.88Å; A225-P278 HydrophobicContact CB-CG 4.02Å; R235-P278 VanDerWaalsContact CZ-O 3.3Å; R235-P278 PolarHBondContact NH1-O 3.49Å; R235-P278 PolarHBondContact NH2-O 3.31Å; P278-F314 HydrophobicContact CB-CZ 4.3Å; P278-F321 HydrophobicContact CB-CB 3.93Å; P278-F321 HydrophobicContact CB-CD1 3.91Å; P278-F321 HydrophobicContact CB-CD2 4.23Å; P278-F321 HydrophobicContact CB-CG 3.76Å; P278-F321 HydrophobicContact CG-CD1 3.74Å; P278-F321 HydrophobicContact CG-CD2 3.93Å; P278-F321 HydrophobicContact CG-CE1 3.87Å; P278-F321 HydrophobicContact CG-CE2 4.03Å; P278-F321 HydrophobicContact CG-CG 3.79Å; P278-F321 HydrophobicContact CG-CZ 4.02Å
279	L	98.3	Very high	95.6	Very high	6 Å²	6	30.5 Å²	30.5	3%	0.031	15%	0.145	C	C	.	.	P	Polyproline II helix	trans	-86.9	126.7	-175.5	-63.6	-175.4	0	0	0	111.8	G112 T113 H283 F321 S322 C326	G112-L279 WeakPolarHBondContact O-CD1 3.27Å; T113-L279 HydrophobicContact CG2-CG 4.31Å; L279-H283 HydrophobicContact CB-CB 4.18Å; L279-H283 HydrophobicContact CD2-CB 4.06Å; L279-F321 CarbonylContact O-C 3.59Å; L279-F321 WeakPolarHBondContact O-CA 3.47Å; L279-S322 PolarHBondContact O-N 3.34Å; L279-C326 HydrophobicContact CD1-CB 4.29Å; L279-C326 WeakPolarHBondContact CD1-SG 3.26Å
280	E	97.8	Very high	96.2	Very high	39 Å²	39	32.4 Å²	32.4	18%	0.182	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-78.6	167.4	171.2	-62.5	164.3	-138.7	0	0	112.3	R235 Q282 H283 V284 V320 F321	R235-E280 WeakPolarHBondContact CD-OE1 3.35Å; R235-E280 IonicContact CZ-OE1 3.25Å; R235-E280 IonicContact NE-OE1 3.65Å; R235-E280 IonicContact NH1-OE1 2.67Å; R235-E280 PolarHBondContact NH1-OE1 2.92Å; E280-Q282 VanDerWaalsContact C-N 3.31Å; E280-Q282 PolarHBondContact O-N 3.37Å; E280-H283 PolarHBondContact N-ND1 3.37Å; E280-H283 VanDerWaalsContact N-ND1 3.16Å; E280-H283 WeakPolarHBondContact O-CB 3.27Å; E280-H283 PolarHBondContact O-N 2.9Å; E280-V284 PolarHBondContact O-N 3.3Å; E280-V320 WeakPolarHBondContact CA-O 3.48Å; E280-V320 HydrophobicContact CG-CG1 4.18Å; E280-F321 HydrophobicContact CG-CD1 3.79Å; E280-F321 HydrophobicContact CG-CE1 3.73Å
281	Y	97.3	Very high	96.5	Very high	67 Å²	67	34.1 Å²	34.1	26%	0.263	17%	0.169	S	C	.	.	H	α-helix	trans	-47.6	-48.2	179.2	-176.1	-90.3	0	0	0	113.7	H283 V284 V285 D305 A308 R309 Y313	Y281-H283 VanDerWaalsContact C-N 3.28Å; Y281-H283 PolarHBondContact O-N 2.67Å; Y281-V284 WeakPolarHBondContact O-CB 3.46Å; Y281-V284 PolarHBondContact O-N 3.22Å; Y281-V285 HydrophobicContact CD1-CG2 3.99Å; Y281-V285 HydrophobicContact CE1-CG2 3.61Å; Y281-V285 PolarHBondContact O-N 2.94Å; Y281-D305 VanDerWaalsContact OH-CG 3.24Å; Y281-D305 PolarHBondContact OH-O 3.49Å; Y281-D305 PolarHBondContact OH-OD1 3.37Å; Y281-A308 HydrophobicContact CD2-CB 4.23Å; Y281-A308 HydrophobicContact CE1-CB 4.45Å; Y281-A308 HydrophobicContact CE2-CB 3.7Å; Y281-R309 HydrophobicContact CE2-CG 4.14Å; Y281-R309 WeakPolarHBondContact OH-CG 3.39Å; Y281-Y313 HydrophobicContact CD2-CE1 4.21Å; Y281-Y313 HydrophobicContact CD2-CE2 4.26Å; Y281-Y313 AromaticContact CD2-CZ 3.68Å; Y281-Y313 VanDerWaalsContact CD2-OH 3.28Å; Y281-Y313 WeakPolarHBondContact CD2-OH 3.33Å
282	Q	96.9	Very high	96.8	Very high	140 Å²	140	31.8 Å²	31.8	65%	0.654	16%	0.156	S	C	*	.	H	α-helix	trans	-61.1	-36.9	-178	-66.6	-178.8	-7.8	0	0	112.4	E280 V284 V285 Q286	E280-Q282 VanDerWaalsContact C-N 3.31Å; E280-Q282 PolarHBondContact O-N 3.37Å; Q282-V284 VanDerWaalsContact C-N 3.33Å; Q282-V284 PolarHBondContact O-N 3.5Å; Q282-V285 PolarHBondContact O-N 3.12Å; Q282-Q286 WeakPolarHBondContact O-CG 3.37Å; Q282-Q286 PolarHBondContact O-N 2.86Å
283	H	98.2	Very high	96.9	Very high	13 Å²	13	34.9 Å²	34.9	6%	0.06	17%	0.169	C	C	.	.	H	α-helix	trans	-68	-34.3	176.3	-52.4	111.5	0	0	0	112.1	F77 G78 L279 E280 Y281 Q286 C287	F77-H283 HydrophobicContact CB-CB 4.3Å; G78-H283 WeakPolarHBondContact CA-CD2 3.38Å; G78-H283 WeakPolarHBondContact CA-NE2 3.24Å; G78-H283 PolarHBondContact N-CD2 3.36Å; L279-H283 HydrophobicContact CB-CB 4.18Å; L279-H283 HydrophobicContact CD2-CB 4.06Å; E280-H283 PolarHBondContact N-ND1 3.37Å; E280-H283 VanDerWaalsContact N-ND1 3.16Å; E280-H283 WeakPolarHBondContact O-CB 3.27Å; E280-H283 PolarHBondContact O-N 2.9Å; Y281-H283 VanDerWaalsContact C-N 3.28Å; Y281-H283 PolarHBondContact O-N 2.67Å; H283-Q286 WeakPolarHBondContact O-CB 3.14Å; H283-Q286 PolarHBondContact O-N 2.94Å; H283-C287 PolarHBondContact O-N 3.3Å; H283-C287 PolarHBondContact O-SG 2.9Å
284	V	98	Very high	97.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.8	-43.5	174.1	174.2	0	0	0	0	110.5	E280 Y281 Q282 Q286 C287 A288 A308 L311 I329	E280-V284 PolarHBondContact O-N 3.3Å; Y281-V284 WeakPolarHBondContact O-CB 3.46Å; Y281-V284 PolarHBondContact O-N 3.22Å; Q282-V284 VanDerWaalsContact C-N 3.33Å; Q282-V284 PolarHBondContact O-N 3.5Å; V284-Q286 VanDerWaalsContact C-N 3.31Å; V284-Q286 PolarHBondContact O-N 3.29Å; V284-C287 WeakPolarHBondContact O-CB 3.42Å; V284-C287 PolarHBondContact O-N 2.71Å; V284-A288 PolarHBondContact O-N 2.76Å; V284-A308 HydrophobicContact CB-CB 4.24Å; V284-A308 HydrophobicContact CG1-CB 3.66Å; V284-L311 HydrophobicContact CB-CD1 4.38Å; V284-L311 HydrophobicContact CG1-CD1 3.36Å; V284-L311 HydrophobicContact CG1-CG 4.21Å; V284-L311 HydrophobicContact CG2-CD1 4.08Å; V284-I329 HydrophobicContact CG1-CD1 3.9Å; V284-I329 HydrophobicContact CG1-CG1 4.45Å
285	V	98.1	Very high	97	Very high	22 Å²	22	39.6 Å²	39.6	13%	0.133	20%	0.202	C	C	.	.	H	α-helix	trans	-59.3	-44.5	174.7	179.3	0	0	0	0	110.4	Y281 Q282 C287 A288 M289 A304 A308	Y281-V285 HydrophobicContact CD1-CG2 3.99Å; Y281-V285 HydrophobicContact CE1-CG2 3.61Å; Y281-V285 PolarHBondContact O-N 2.94Å; Q282-V285 PolarHBondContact O-N 3.12Å; V285-C287 PolarHBondContact O-N 3.07Å; V285-A288 PolarHBondContact O-N 3.38Å; V285-M289 HydrophobicContact CG1-CE 4.16Å; V285-M289 WeakPolarHBondContact O-CG 3Å; V285-M289 PolarHBondContact O-N 3.05Å; V285-A304 HydrophobicContact CG1-CB 3.93Å; V285-A308 HydrophobicContact CG2-CB 3.59Å
286	Q	98.1	Very high	97	Very high	71 Å²	71	45.2 Å²	45.2	33%	0.332	24%	0.241	S	C	.	.	H	α-helix	trans	-59.2	-44.4	174.9	-70.5	172.6	-37.4	0	0	112.6	F77 Q282 H283 V284 A288 M289 A290	F77-Q286 HydrophobicContact CB-CB 4.43Å; F77-Q286 HydrophobicContact CD1-CB 3.96Å; F77-Q286 HydrophobicContact CD1-CG 4.42Å; F77-Q286 HydrophobicContact CD2-CB 3.67Å; F77-Q286 HydrophobicContact CE1-CB 4.13Å; F77-Q286 HydrophobicContact CE2-CB 3.85Å; F77-Q286 HydrophobicContact CG-CB 3.74Å; F77-Q286 HydrophobicContact CZ-CB 4.08Å; Q282-Q286 WeakPolarHBondContact O-CG 3.37Å; Q282-Q286 PolarHBondContact O-N 2.86Å; H283-Q286 WeakPolarHBondContact O-CB 3.14Å; H283-Q286 PolarHBondContact O-N 2.94Å; V284-Q286 VanDerWaalsContact C-N 3.31Å; V284-Q286 PolarHBondContact O-N 3.29Å; Q286-A288 PolarHBondContact O-N 3.34Å; Q286-M289 HydrophobicContact CB-CE 4.47Å; Q286-M289 HydrophobicContact CG-CE 4.16Å; Q286-M289 PolarHBondContact O-N 3Å; Q286-A290 WeakPolarHBondContact O-CB 2.91Å; Q286-A290 PolarHBondContact O-N 3.18Å
287	C	97.7	Very high	96.8	Very high	23 Å²	23	48.3 Å²	48.3	16%	0.155	26%	0.258	C	S	.	.	H	α-helix	trans	-61.7	-40.7	175	-70.1	0	0	0	0	112.5	H283 V284 V285 A290 E291 C326 I329	H283-C287 PolarHBondContact O-N 3.3Å; H283-C287 PolarHBondContact O-SG 2.9Å; V284-C287 WeakPolarHBondContact O-CB 3.42Å; V284-C287 PolarHBondContact O-N 2.71Å; V285-C287 PolarHBondContact O-N 3.07Å; C287-A290 PolarHBondContact O-N 3.34Å; C287-E291 WeakPolarHBondContact O-CB 3.15Å; C287-E291 PolarHBondContact O-N 2.89Å; C287-C326 HydrophobicContact CB-CB 3.65Å; C287-C326 WeakPolarHBondContact CB-SG 3.41Å; C287-C326 WeakPolarHBondContact SG-CB 3.35Å; C287-C326 CovalentContact SG-SG 2.03Å; C287-C326 PolarHBondContact SG-SG 2.93Å; C287-I329 HydrophobicContact CB-CD1 3.26Å
288	A	97.6	Very high	96.6	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-65.4	-42.4	177.8	0	0	0	0	0	112.1	V284 V285 Q286 A290 E291 M292 A304 V307 I329	V284-A288 PolarHBondContact O-N 2.76Å; V285-A288 PolarHBondContact O-N 3.38Å; Q286-A288 PolarHBondContact O-N 3.34Å; A288-A290 VanDerWaalsContact C-N 3.33Å; A288-A290 PolarHBondContact O-N 3.36Å; A288-E291 PolarHBondContact O-N 3.42Å; A288-M292 WeakPolarHBondContact O-CG 3.39Å; A288-M292 PolarHBondContact O-N 2.67Å; A288-A304 HydrophobicContact CB-CB 3.78Å; A288-V307 HydrophobicContact CB-CG1 4.37Å; A288-I329 HydrophobicContact CB-CG2 3.91Å
289	M	97.5	Very high	96.5	Very high	56 Å²	56	59.5 Å²	59.5	28%	0.276	32%	0.315	S	S	.	.	H	α-helix	trans	-63.1	-39.5	173.2	-67.4	-174.5	-64.1	0	0	112.2	V285 Q286 K293 P299 A304	V285-M289 HydrophobicContact CG1-CE 4.16Å; V285-M289 WeakPolarHBondContact O-CG 3Å; V285-M289 PolarHBondContact O-N 3.05Å; Q286-M289 HydrophobicContact CB-CE 4.47Å; Q286-M289 HydrophobicContact CG-CE 4.16Å; Q286-M289 PolarHBondContact O-N 3Å; M289-K293 PolarHBondContact O-N 3.4Å; M289-K293 VanDerWaalsContact O-N 3.17Å; M289-P299 HydrophobicContact CB-CB 4.37Å; M289-A304 HydrophobicContact CG-CB 3.59Å
290	A	96.7	Very high	96.4	Very high	41 Å²	41	62.3 Å²	62.3	34%	0.339	33%	0.33	S	S	.	.	H	α-helix	trans	-66.1	-39.2	176.6	0	0	0	0	0	111.9	F77 Q286 C287 A288 K293 A294	F77-A290 HydrophobicContact CE2-CB 3.96Å; F77-A290 HydrophobicContact CZ-CB 4.18Å; Q286-A290 WeakPolarHBondContact O-CB 2.91Å; Q286-A290 PolarHBondContact O-N 3.18Å; C287-A290 PolarHBondContact O-N 3.34Å; A288-A290 VanDerWaalsContact C-N 3.33Å; A288-A290 PolarHBondContact O-N 3.36Å; A290-K293 WeakPolarHBondContact O-CB 3.48Å; A290-K293 PolarHBondContact O-N 3.14Å; A290-A294 PolarHBondContact O-N 3.13Å
291	E	96.3	Very high	96.3	Very high	46 Å²	46	64.2 Å²	64.2	22%	0.215	35%	0.346	C	S	.	.	H	α-helix	trans	-65.3	-43.5	176.5	-177.8	57.4	-151.8	0	0	111.9	C287 A288 K293 A294 R295 I329 L333	C287-E291 WeakPolarHBondContact O-CB 3.15Å; C287-E291 PolarHBondContact O-N 2.89Å; A288-E291 PolarHBondContact O-N 3.42Å; E291-K293 VanDerWaalsContact C-N 3.29Å; E291-K293 PolarHBondContact O-N 2.91Å; E291-A294 WeakPolarHBondContact O-CB 3.21Å; E291-A294 PolarHBondContact O-N 3.37Å; E291-A294 VanDerWaalsContact O-N 3.14Å; E291-R295 WeakPolarHBondContact O-CG 3.32Å; E291-R295 PolarHBondContact O-N 2.93Å; E291-R295 IonicContact OE1-CZ 2.71Å; E291-R295 IonicContact OE1-NE 3.63Å; E291-R295 PolarHBondContact OE1-NE 3.36Å; E291-R295 IonicContact OE1-NH2 3.55Å; E291-I329 HydrophobicContact CB-CG2 4.15Å; E291-I329 HydrophobicContact CG-CG2 4.39Å; E291-L333 HydrophobicContact CB-CD2 4.34Å; E291-L333 HydrophobicContact CG-CD2 3.85Å
292	M	96.8	Very high	96.3	Very high	2 Å²	2	67 Å²	67	1%	0.01	37%	0.365	C	S	.	.	H	α-helix	trans	-54.3	-48.2	172.2	-70.2	168.4	-176.3	0	0	111	A288 A294 R295 S296 L297 N300 V303 A304 L333	A288-M292 WeakPolarHBondContact O-CG 3.39Å; A288-M292 PolarHBondContact O-N 2.67Å; M292-A294 VanDerWaalsContact C-N 3.33Å; M292-A294 PolarHBondContact O-N 2.99Å; M292-R295 CarbonylContact O-C 3.54Å; M292-R295 PolarHBondContact O-N 3.35Å; M292-R295 VanDerWaalsContact O-N 3.1Å; M292-S296 PolarHBondContact O-N 3.42Å; M292-L297 CarbonylContact C-O 3.59Å; M292-L297 HydrophobicContact CB-CB 4.15Å; M292-L297 WeakPolarHBondContact O-CB 3.45Å; M292-L297 PolarHBondContact O-N 3.34Å; M292-N300 HydrophobicContact SD-CB 4.42Å; M292-N300 PolarHBondContact SD-N 2.86Å; M292-V303 HydrophobicContact CE-CB 3.6Å; M292-V303 HydrophobicContact CE-CG1 3.41Å; M292-V303 VanDerWaalsContact CE-CG1 3.41Å; M292-A304 HydrophobicContact CE-CB 4.13Å; M292-L333 HydrophobicContact CE-CD1 3.48Å; M292-L333 VanDerWaalsContact CE-CD1 3.48Å; M292-L333 HydrophobicContact CG-CD1 3.98Å; M292-L333 HydrophobicContact CG-CD2 3.7Å; M292-L333 HydrophobicContact CG-CG 4.47Å
293	K	95.7	Very high	96.3	Very high	155 Å²	155	61.5 Å²	61.5	67%	0.674	34%	0.341	S	S	*	.	H	α-helix	trans	-62	-40.5	178	-171.8	176.5	-178.8	176.4	0	112.2	M289 A290 E291 R295 S296 P299	M289-K293 PolarHBondContact O-N 3.4Å; M289-K293 VanDerWaalsContact O-N 3.17Å; A290-K293 WeakPolarHBondContact O-CB 3.48Å; A290-K293 PolarHBondContact O-N 3.14Å; E291-K293 VanDerWaalsContact C-N 3.29Å; E291-K293 PolarHBondContact O-N 2.91Å; K293-R295 PolarHBondContact O-N 3.22Å; K293-S296 PolarHBondContact O-N 2.91Å; K293-P299 HydrophobicContact CB-CG 4.24Å
294	A	93.7	Very high	96.2	Very high	78 Å²	78	60.9 Å²	60.9	65%	0.645	34%	0.338	S	S	*	.	H	α-helix	trans	-61.8	-30.7	176.9	0	0	0	0	0	112.1	A290 E291 M292 S296	A290-A294 PolarHBondContact O-N 3.13Å; E291-A294 WeakPolarHBondContact O-CB 3.21Å; E291-A294 PolarHBondContact O-N 3.37Å; E291-A294 VanDerWaalsContact O-N 3.14Å; M292-A294 VanDerWaalsContact C-N 3.33Å; M292-A294 PolarHBondContact O-N 2.99Å; A294-S296 VanDerWaalsContact C-N 3.3Å; A294-S296 PolarHBondContact O-N 2.89Å
295	R	93.9	Very high	96.2	Very high	71 Å²	71	62.7 Å²	62.7	27%	0.268	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	9.3	175.4	-63.9	174.3	176.7	-148.2	-7.5	114.4	E291 M292 K293 L297 E330 D334	E291-R295 WeakPolarHBondContact O-CG 3.32Å; E291-R295 PolarHBondContact O-N 2.93Å; E291-R295 IonicContact OE1-CZ 2.71Å; E291-R295 IonicContact OE1-NE 3.63Å; E291-R295 PolarHBondContact OE1-NE 3.36Å; E291-R295 IonicContact OE1-NH2 3.55Å; M292-R295 CarbonylContact O-C 3.54Å; M292-R295 PolarHBondContact O-N 3.35Å; M292-R295 VanDerWaalsContact O-N 3.1Å; K293-R295 PolarHBondContact O-N 3.22Å; R295-L297 HydrophobicContact CB-CD1 4.16Å; R295-L297 HydrophobicContact CB-CG 4.03Å; R295-L297 PolarHBondContact O-N 2.87Å; R295-E330 PolarHBondContact NH2-O 3.48Å; R295-D334 IonicContact CZ-OD1 3.88Å; R295-D334 IonicContact NH1-OD1 3.59Å; R295-D334 PolarHBondContact NH1-OD1 3.17Å; R295-D334 IonicContact NH2-OD1 2.91Å; R295-D334 PolarHBondContact NH2-OD1 3.47Å
296	S	94.8	Very high	96.1	Very high	117 Å²	117	66.4 Å²	66.4	82%	0.818	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	27.3	-174.5	-49	0	0	0	0	113.7	M292 K293 A294	M292-S296 PolarHBondContact O-N 3.42Å; K293-S296 PolarHBondContact O-N 2.91Å; A294-S296 VanDerWaalsContact C-N 3.3Å; A294-S296 PolarHBondContact O-N 2.89Å
297	L	94.1	Very high	95.9	Very high	66 Å²	66	63 Å²	63	35%	0.346	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-92.4	148.6	170.2	-56.3	174.8	0	0	0	109.6	M292 R295 P299 T337	M292-L297 CarbonylContact C-O 3.59Å; M292-L297 HydrophobicContact CB-CB 4.15Å; M292-L297 WeakPolarHBondContact O-CB 3.45Å; M292-L297 PolarHBondContact O-N 3.34Å; R295-L297 HydrophobicContact CB-CD1 4.16Å; R295-L297 HydrophobicContact CB-CG 4.03Å; R295-L297 PolarHBondContact O-N 2.87Å; L297-P299 WeakPolarHBondContact O-CD 3.43Å; L297-T337 HydrophobicContact CD1-CG2 3.95Å
298	E	94.5	Very high	95.9	Very high	176 Å²	176	61.9 Å²	61.9	82%	0.822	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-66.8	123.5	171.1	-72.8	-62.2	149.7	0	0	109.7	N300	E298-N300 PolarHBondContact O-N 3.5Å; E298-N300 VanDerWaalsContact O-N 3.16Å
299	P	95.4	Very high	95.8	Very high	60 Å²	60	69.2 Å²	69.2	39%	0.39	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-60.7	119.6	179.5	-24.9	35.3	0	0	0	111.6	M289 K293 L297	M289-P299 HydrophobicContact CB-CB 4.37Å; K293-P299 HydrophobicContact CB-CG 4.24Å; L297-P299 WeakPolarHBondContact O-CD 3.43Å
300	N	96	Very high	95.6	Very high	66 Å²	66	70.4 Å²	70.4	35%	0.353	38%	0.376	S	S	.	.			trans	-111.5	110.7	178	-174.5	-31.4	0	0	0	110.1	M292 E298 D302 V303 A304	M292-N300 HydrophobicContact SD-CB 4.42Å; M292-N300 PolarHBondContact SD-N 2.86Å; E298-N300 PolarHBondContact O-N 3.5Å; E298-N300 VanDerWaalsContact O-N 3.16Å; N300-D302 VanDerWaalsContact C-N 3.29Å; N300-D302 PolarHBondContact O-N 3.35Å; N300-D302 WeakPolarHBondContact OD1-CB 3.15Å; N300-D302 PolarHBondContact OD1-N 2.82Å; N300-V303 HydrophobicContact CB-CB 4.12Å; N300-V303 HydrophobicContact CB-CG2 4.05Å; N300-V303 PolarHBondContact O-N 3.31Å; N300-V303 PolarHBondContact OD1-N 2.92Å; N300-A304 WeakPolarHBondContact O-CB 3.23Å; N300-A304 PolarHBondContact O-N 2.85Å
301	P	96.2	Very high	95.5	Very high	78 Å²	78	68.9 Å²	68.9	51%	0.506	36%	0.362	S	S	.	.	H	α-helix	trans	-59.3	-35.8	179.5	-25.4	35.1	0	0	0	114	A304 D305	P301-A304 PolarHBondContact O-N 3.3Å; P301-D305 WeakPolarHBondContact O-CB 3.34Å; P301-D305 PolarHBondContact O-N 2.95Å
302	D	96.6	Very high	95.5	Very high	126 Å²	126	71.7 Å²	71.7	67%	0.674	38%	0.382	S	S	*	.	H	α-helix	trans	-69.7	-41.4	-178.2	-62.2	-36.3	0	0	0	111	N300 Q306	N300-D302 VanDerWaalsContact C-N 3.29Å; N300-D302 PolarHBondContact O-N 3.35Å; N300-D302 WeakPolarHBondContact OD1-CB 3.15Å; N300-D302 PolarHBondContact OD1-N 2.82Å; D302-Q306 WeakPolarHBondContact O-CB 3.36Å; D302-Q306 PolarHBondContact O-N 3.32Å
303	V	96	Very high	95.5	Very high	25 Å²	25	72.5 Å²	72.5	15%	0.152	39%	0.385	C	S	.	.	H	α-helix	trans	-68.1	-42.4	174.9	177.9	0	0	0	0	110.6	M292 N300 D305 Q306 V307 L333 Y336	M292-V303 HydrophobicContact CE-CB 3.6Å; M292-V303 HydrophobicContact CE-CG1 3.41Å; M292-V303 VanDerWaalsContact CE-CG1 3.41Å; N300-V303 HydrophobicContact CB-CB 4.12Å; N300-V303 HydrophobicContact CB-CG2 4.05Å; N300-V303 PolarHBondContact O-N 3.31Å; N300-V303 PolarHBondContact OD1-N 2.92Å; V303-D305 VanDerWaalsContact C-N 3.3Å; V303-D305 PolarHBondContact O-N 2.83Å; V303-Q306 PolarHBondContact O-N 2.91Å; V303-V307 HydrophobicContact CG1-CG2 4.44Å; V303-V307 VanDerWaalsContact O-CG2 3.32Å; V303-V307 WeakPolarHBondContact O-CG2 3.26Å; V303-V307 PolarHBondContact O-N 2.91Å; V303-L333 HydrophobicContact CG1-CD1 4.24Å; V303-Y336 HydrophobicContact CG1-CG 4.36Å
304	A	97.2	Very high	95.5	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-62	-40.3	178.3	0	0	0	0	0	111.8	V285 A288 M289 M292 N300 P301 A308	V285-A304 HydrophobicContact CG1-CB 3.93Å; A288-A304 HydrophobicContact CB-CB 3.78Å; M289-A304 HydrophobicContact CG-CB 3.59Å; M292-A304 HydrophobicContact CE-CB 4.13Å; N300-A304 WeakPolarHBondContact O-CB 3.23Å; N300-A304 PolarHBondContact O-N 2.85Å; P301-A304 PolarHBondContact O-N 3.3Å; A304-A308 WeakPolarHBondContact O-CB 3.41Å; A304-A308 PolarHBondContact O-N 2.83Å
305	D	97.3	Very high	95.5	Very high	38 Å²	38	64.8 Å²	64.8	20%	0.203	34%	0.34	C	S	.	.	H	α-helix	trans	-64.2	-45.6	172.9	170.5	88.1	0	0	0	111.6	Y281 P301 V303 V307 A308 R309	Y281-D305 VanDerWaalsContact OH-CG 3.24Å; Y281-D305 PolarHBondContact OH-O 3.49Å; Y281-D305 PolarHBondContact OH-OD1 3.37Å; P301-D305 WeakPolarHBondContact O-CB 3.34Å; P301-D305 PolarHBondContact O-N 2.95Å; V303-D305 VanDerWaalsContact C-N 3.3Å; V303-D305 PolarHBondContact O-N 2.83Å; D305-V307 PolarHBondContact O-N 3.49Å; D305-A308 WeakPolarHBondContact O-CB 3.3Å; D305-A308 PolarHBondContact O-N 2.84Å; D305-A308 VanDerWaalsContact O-N 3.09Å; D305-R309 VanDerWaalsContact CG-CZ 3.49Å; D305-R309 WeakPolarHBondContact O-CG 3.19Å; D305-R309 PolarHBondContact O-N 2.9Å; D305-R309 IonicContact OD1-CZ 3.35Å; D305-R309 IonicContact OD1-NE 3.74Å; D305-R309 IonicContact OD1-NH1 3.85Å; D305-R309 IonicContact OD1-NH2 3.11Å; D305-R309 PolarHBondContact OD1-NH2 3.47Å; D305-R309 VanDerWaalsContact OD1-NH2 3.11Å; D305-R309 IonicContact OD2-CZ 2.89Å; D305-R309 IonicContact OD2-NE 2.71Å; D305-R309 PolarHBondContact OD2-NE 3.34Å; D305-R309 IonicContact OD2-NH2 2.58Å; D305-R309 PolarHBondContact OD2-NH2 2.82Å
306	Q	95.7	Very high	95.3	Very high	99 Å²	99	71 Å²	71	46%	0.463	37%	0.369	S	S	.	.	H	α-helix	trans	-59.1	-46.2	175.8	-167.8	178.8	-1.4	0	0	112.3	D302 V303 A308 R309 D310 Y336	D302-Q306 WeakPolarHBondContact O-CB 3.36Å; D302-Q306 PolarHBondContact O-N 3.32Å; V303-Q306 PolarHBondContact O-N 2.91Å; Q306-A308 VanDerWaalsContact C-N 3.27Å; Q306-A308 PolarHBondContact O-N 3.4Å; Q306-R309 PolarHBondContact O-N 2.89Å; Q306-D310 PolarHBondContact O-N 3.33Å; Q306-Y336 HydrophobicContact CB-CD1 4.47Å; Q306-Y336 HydrophobicContact CB-CE1 4.35Å; Q306-Y336 VanDerWaalsContact CD-CE1 3.46Å; Q306-Y336 HydrophobicContact CG-CD1 3.99Å; Q306-Y336 HydrophobicContact CG-CE1 3.58Å
307	V	95.5	Very high	95.1	Very high	0 Å²	0	70.2 Å²	70.2	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-57.3	-42.7	174.2	170.6	0	0	0	0	110.9	A288 V303 D305 D310 K332 L333 Y336	A288-V307 HydrophobicContact CB-CG1 4.37Å; V303-V307 HydrophobicContact CG1-CG2 4.44Å; V303-V307 VanDerWaalsContact O-CG2 3.32Å; V303-V307 WeakPolarHBondContact O-CG2 3.26Å; V303-V307 PolarHBondContact O-N 2.91Å; D305-V307 PolarHBondContact O-N 3.49Å; V307-D310 PolarHBondContact O-N 3.4Å; V307-K332 HydrophobicContact CG1-CB 4.14Å; V307-L333 HydrophobicContact CG2-CD1 4.1Å; V307-Y336 HydrophobicContact CG2-CD2 3.44Å; V307-Y336 VanDerWaalsContact CG2-CD2 3.44Å; V307-Y336 HydrophobicContact CG2-CE2 3.62Å; V307-Y336 HydrophobicContact CG2-CG 4.01Å
308	A	96.4	Very high	95	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-67.5	-38.4	179.8	0	0	0	0	0	112.7	Y281 V284 V285 A304 D305 Q306 D310 L311 Y313	Y281-A308 HydrophobicContact CD2-CB 4.23Å; Y281-A308 HydrophobicContact CE1-CB 4.45Å; Y281-A308 HydrophobicContact CE2-CB 3.7Å; V284-A308 HydrophobicContact CB-CB 4.24Å; V284-A308 HydrophobicContact CG1-CB 3.66Å; V285-A308 HydrophobicContact CG2-CB 3.59Å; A304-A308 WeakPolarHBondContact O-CB 3.41Å; A304-A308 PolarHBondContact O-N 2.83Å; D305-A308 WeakPolarHBondContact O-CB 3.3Å; D305-A308 PolarHBondContact O-N 2.84Å; D305-A308 VanDerWaalsContact O-N 3.09Å; Q306-A308 VanDerWaalsContact C-N 3.27Å; Q306-A308 PolarHBondContact O-N 3.4Å; A308-D310 PolarHBondContact O-N 2.98Å; A308-L311 PolarHBondContact O-N 2.97Å; A308-Y313 VanDerWaalsContact O-CE2 3.25Å; A308-Y313 WeakPolarHBondContact O-CE2 3.32Å; A308-Y313 PolarHBondContact O-OH 2.88Å
309	R	95.1	Very high	95	Very high	153 Å²	153	68.5 Å²	68.5	58%	0.577	35%	0.347	S	S	*	.	H	α-helix	trans	-61.1	-33.7	175.8	-67.3	-177.2	-153.1	-82.5	8.9	112.5	Y281 D305 Q306 L311	Y281-R309 HydrophobicContact CE2-CG 4.14Å; Y281-R309 WeakPolarHBondContact OH-CG 3.39Å; D305-R309 VanDerWaalsContact CG-CZ 3.49Å; D305-R309 WeakPolarHBondContact O-CG 3.19Å; D305-R309 PolarHBondContact O-N 2.9Å; D305-R309 IonicContact OD1-CZ 3.35Å; D305-R309 IonicContact OD1-NE 3.74Å; D305-R309 IonicContact OD1-NH1 3.85Å; D305-R309 IonicContact OD1-NH2 3.11Å; D305-R309 PolarHBondContact OD1-NH2 3.47Å; D305-R309 VanDerWaalsContact OD1-NH2 3.11Å; D305-R309 IonicContact OD2-CZ 2.89Å; D305-R309 IonicContact OD2-NE 2.71Å; D305-R309 PolarHBondContact OD2-NE 3.34Å; D305-R309 IonicContact OD2-NH2 2.58Å; D305-R309 PolarHBondContact OD2-NH2 2.82Å; Q306-R309 PolarHBondContact O-N 2.89Å; R309-L311 PolarHBondContact O-N 3.37Å
310	D	94.3	Very high	95	Very high	81 Å²	81	66.2 Å²	66.2	43%	0.433	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	4.2	-177.6	-70.1	-16.2	0	0	0	113.3	Q306 V307 A308 K332 Y336	Q306-D310 PolarHBondContact O-N 3.33Å; V307-D310 PolarHBondContact O-N 3.4Å; A308-D310 PolarHBondContact O-N 2.98Å; D310-K332 PolarHBondContact O-NZ 3.11Å; D310-Y336 PolarHBondContact OD2-OH 3.44Å
311	L	94.9	Very high	95.1	Very high	10 Å²	10	63.1 Å²	63.1	5%	0.052	32%	0.316	C	S	.	.	S	Bend	trans	-83.2	159.1	168.9	-63	-162.7	0	0	0	112.6	V284 A308 R309 Y313 K332	V284-L311 HydrophobicContact CB-CD1 4.38Å; V284-L311 HydrophobicContact CG1-CD1 3.36Å; V284-L311 HydrophobicContact CG1-CG 4.21Å; V284-L311 HydrophobicContact CG2-CD1 4.08Å; A308-L311 PolarHBondContact O-N 2.97Å; R309-L311 PolarHBondContact O-N 3.37Å; L311-Y313 HydrophobicContact CB-CD2 4.47Å; L311-Y313 HydrophobicContact CB-CE2 3.73Å; L311-Y313 VanDerWaalsContact O-CD2 3.27Å; L311-Y313 WeakPolarHBondContact O-CD2 3.47Å; L311-Y313 WeakPolarHBondContact O-CE2 3.48Å; L311-K332 HydrophobicContact CD2-CD 3.3Å; L311-K332 VanDerWaalsContact CD2-CE 3.46Å
312	V	96	Very high	95.2	Very high	104 Å²	104	59.5 Å²	59.5	63%	0.63	29%	0.292	S	S	*	.			trans	-91.8	132.4	173.9	-176	0	0	0	0	109.2	V323	V312-V323 HydrophobicContact CB-CB 4.43Å; V312-V323 HydrophobicContact CB-CG2 4.13Å; V312-V323 HydrophobicContact CG1-CG2 3.76Å; V312-V323 WeakPolarHBondContact O-CG2 3.2Å; V312-V323 PolarHBondContact O-N 2.95Å
313	Y	96.9	Very high	95.1	Very high	19 Å²	19	55.9 Å²	55.9	8%	0.075	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	153.2	-178.8	-64.3	-97.5	0	0	0	112.2	Y281 A308 L311 R319 F321	Y281-Y313 HydrophobicContact CD2-CE1 4.21Å; Y281-Y313 HydrophobicContact CD2-CE2 4.26Å; Y281-Y313 AromaticContact CD2-CZ 3.68Å; Y281-Y313 VanDerWaalsContact CD2-OH 3.28Å; Y281-Y313 WeakPolarHBondContact CD2-OH 3.33Å; A308-Y313 VanDerWaalsContact O-CE2 3.25Å; A308-Y313 WeakPolarHBondContact O-CE2 3.32Å; A308-Y313 PolarHBondContact O-OH 2.88Å; L311-Y313 HydrophobicContact CB-CD2 4.47Å; L311-Y313 HydrophobicContact CB-CE2 3.73Å; L311-Y313 VanDerWaalsContact O-CD2 3.27Å; L311-Y313 WeakPolarHBondContact O-CD2 3.47Å; L311-Y313 WeakPolarHBondContact O-CE2 3.48Å; Y313-R319 WeakPolarHBondContact CB-O 3.2Å; Y313-F321 CarbonylContact C-O 3.55Å; Y313-F321 WeakPolarHBondContact CA-O 3.42Å; Y313-F321 VanDerWaalsContact CD1-C 3.5Å
314	F	96	Very high	95.1	Very high	38 Å²	38	60.2 Å²	60.2	17%	0.167	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	157.7	179.7	73.8	-86.7	0	0	0	111.3	I222 P278 V320 F321 S322 V323	I222-F314 HydrophobicContact CD1-CE2 3.82Å; I222-F314 HydrophobicContact CD1-CZ 3.65Å; I222-F314 HydrophobicContact CG1-CE2 4.1Å; I222-F314 HydrophobicContact CG1-CZ 4.04Å; I222-F314 HydrophobicContact CG2-CE2 3.63Å; I222-F314 HydrophobicContact CG2-CZ 4.41Å; P278-F314 HydrophobicContact CB-CZ 4.3Å; F314-V320 PolarHBondContact O-N 2.9Å; F314-V320 VanDerWaalsContact O-N 3.15Å; F314-F321 HydrophobicContact CD1-CB 4.02Å; F314-F321 WeakPolarHBondContact CD1-O 3.38Å; F314-F321 HydrophobicContact CD2-CB 4.41Å; F314-F321 HydrophobicContact CE1-CB 3.61Å; F314-F321 HydrophobicContact CE2-CB 4Å; F314-F321 HydrophobicContact CE2-CD2 4.01Å; F314-F321 HydrophobicContact CE2-CG 4.49Å; F314-F321 HydrophobicContact CG-CB 4.42Å; F314-F321 HydrophobicContact CZ-CB 3.6Å; F314-F321 HydrophobicContact CZ-CD2 4.31Å; F314-F321 HydrophobicContact CZ-CG 4.37Å; F314-F321 PolarHBondContact N-O 3.36Å; F314-F321 PolarHBondContact O-N 2.96Å; F314-S322 WeakPolarHBondContact CE1-O 3.34Å; F314-V323 HydrophobicContact CB-CG2 4.19Å; F314-V323 HydrophobicContact CD1-CB 4.31Å; F314-V323 HydrophobicContact CD1-CG2 3.68Å; F314-V323 HydrophobicContact CG-CG2 4.37Å
315	P	93.9	Very high	95.1	Very high	34 Å²	34	60.2 Å²	60.2	22%	0.221	29%	0.291	C	S	.	.	S	Bend	cis	-64.8	168.7	-7.6	-9.4	23.9	0	0	0	112.1	L226 S317 E318 R319	L226-P315 HydrophobicContact CD1-CG 4.02Å; L226-P315 HydrophobicContact CD2-CG 3.61Å; L226-P315 HydrophobicContact CG-CG 4.49Å; P315-S317 PolarHBondContact O-N 2.95Å; P315-E318 WeakPolarHBondContact CB-OE2 3.34Å; P315-E318 WeakPolarHBondContact CG-OE2 3.49Å; P315-R319 VanDerWaalsContact O-CA 3.26Å; P315-R319 WeakPolarHBondContact O-CA 3.38Å; P315-R319 PolarHBondContact O-N 3.3Å
316	K	89.4	Confident	95.1	Very high	201 Å²	201	59.7 Å²	59.7	87%	0.874	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-33.1	-175.6	-71.3	-175.9	179	179.5	0	113.6	R319	K316-R319 WeakPolarHBondContact O-CG 3.3Å
317	S	89.4	Confident	95	Very high	100 Å²	100	62.2 Å²	62.2	70%	0.699	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-52.4	-178.5	25.9	0	0	0	0	112.3	P315	P315-S317 PolarHBondContact O-N 2.95Å
318	E	92.4	Very high	94.9	Very high	54 Å²	54	63.5 Å²	63.5	25%	0.252	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-23.4	-172	-56.4	87.8	162.7	0	0	112.8	W229 K230 P315 V320	W229-E318 HydrophobicContact CH2-CB 4.04Å; W229-E318 HydrophobicContact CH2-CG 4.37Å; W229-E318 HydrophobicContact CZ3-CB 3.84Å; W229-E318 HydrophobicContact CZ3-CG 3.8Å; K230-E318 WeakPolarHBondContact CE-OE1 3.38Å; K230-E318 IonicContact NZ-OE1 2.75Å; K230-E318 PolarHBondContact NZ-OE1 2.98Å; P315-E318 WeakPolarHBondContact CB-OE2 3.34Å; P315-E318 WeakPolarHBondContact CG-OE2 3.49Å; E318-V320 VanDerWaalsContact C-N 3.3Å; E318-V320 HydrophobicContact CB-CG2 3.48Å; E318-V320 VanDerWaalsContact CB-CG2 3.48Å; E318-V320 PolarHBondContact O-N 2.93Å
319	R	94.8	Very high	94.8	Very high	152 Å²	152	63.7 Å²	63.7	57%	0.574	31%	0.309	S	S	*	.			trans	49.1	45.4	178.5	-64.3	-174.8	66.8	178.6	-0.6	113.7	Y313 P315 K316	Y313-R319 WeakPolarHBondContact CB-O 3.2Å; P315-R319 VanDerWaalsContact O-CA 3.26Å; P315-R319 WeakPolarHBondContact O-CA 3.38Å; P315-R319 PolarHBondContact O-N 3.3Å; K316-R319 WeakPolarHBondContact O-CG 3.3Å
320	V	95.3	Very high	94.6	Very high	12 Å²	12	62.1 Å²	62.1	7%	0.073	31%	0.308	C	S	.	.			trans	-84.9	-43.5	-170.7	-172.4	0	0	0	0	112.7	W229 E280 F314 E318	W229-V320 HydrophobicContact CD2-CG1 4.02Å; W229-V320 HydrophobicContact CD2-CG2 3.71Å; W229-V320 HydrophobicContact CE3-CG2 3.84Å; W229-V320 HydrophobicContact CG-CG1 3.92Å; W229-V320 HydrophobicContact CG-CG2 4.42Å; W229-V320 HydrophobicContact CH2-CG2 3.78Å; W229-V320 HydrophobicContact CZ2-CG1 4.48Å; W229-V320 HydrophobicContact CZ2-CG2 3.64Å; W229-V320 HydrophobicContact CZ3-CG2 3.88Å; E280-V320 WeakPolarHBondContact CA-O 3.48Å; E280-V320 HydrophobicContact CG-CG1 4.18Å; F314-V320 PolarHBondContact O-N 2.9Å; F314-V320 VanDerWaalsContact O-N 3.15Å; E318-V320 VanDerWaalsContact C-N 3.3Å; E318-V320 HydrophobicContact CB-CG2 3.48Å; E318-V320 VanDerWaalsContact CB-CG2 3.48Å; E318-V320 PolarHBondContact O-N 2.93Å
321	F	97.9	Very high	94.5	Very high	1 Å²	1	61.2 Å²	61.2	0%	0.004	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	138	-167.8	-57.4	-50.8	0	0	0	112.3	A225 L226 P278 L279 E280 Y313 F314 V323	A225-F321 HydrophobicContact CB-CE2 4.44Å; A225-F321 HydrophobicContact CB-CZ 3.89Å; L226-F321 HydrophobicContact CB-CE2 4.06Å; L226-F321 HydrophobicContact CD1-CE2 4.18Å; P278-F321 HydrophobicContact CB-CB 3.93Å; P278-F321 HydrophobicContact CB-CD1 3.91Å; P278-F321 HydrophobicContact CB-CD2 4.23Å; P278-F321 HydrophobicContact CB-CG 3.76Å; P278-F321 HydrophobicContact CG-CD1 3.74Å; P278-F321 HydrophobicContact CG-CD2 3.93Å; P278-F321 HydrophobicContact CG-CE1 3.87Å; P278-F321 HydrophobicContact CG-CE2 4.03Å; P278-F321 HydrophobicContact CG-CG 3.79Å; P278-F321 HydrophobicContact CG-CZ 4.02Å; L279-F321 CarbonylContact O-C 3.59Å; L279-F321 WeakPolarHBondContact O-CA 3.47Å; E280-F321 HydrophobicContact CG-CD1 3.79Å; E280-F321 HydrophobicContact CG-CE1 3.73Å; Y313-F321 CarbonylContact C-O 3.55Å; Y313-F321 WeakPolarHBondContact CA-O 3.42Å; Y313-F321 VanDerWaalsContact CD1-C 3.5Å; F314-F321 HydrophobicContact CD1-CB 4.02Å; F314-F321 WeakPolarHBondContact CD1-O 3.38Å; F314-F321 HydrophobicContact CD2-CB 4.41Å; F314-F321 HydrophobicContact CE1-CB 3.61Å; F314-F321 HydrophobicContact CE2-CB 4Å; F314-F321 HydrophobicContact CE2-CD2 4.01Å; F314-F321 HydrophobicContact CE2-CG 4.49Å; F314-F321 HydrophobicContact CG-CB 4.42Å; F314-F321 HydrophobicContact CZ-CB 3.6Å; F314-F321 HydrophobicContact CZ-CD2 4.31Å; F314-F321 HydrophobicContact CZ-CG 4.37Å; F314-F321 PolarHBondContact N-O 3.36Å; F314-F321 PolarHBondContact O-N 2.96Å; F321-V323 PolarHBondContact O-N 3.42Å
322	S	97.4	Very high	94.3	Very high	2 Å²	2	63.1 Å²	63.1	1%	0.014	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	126.8	176.7	171.1	0	0	0	0	111.2	L279 F314 K324 G325	L279-S322 PolarHBondContact O-N 3.34Å; F314-S322 WeakPolarHBondContact CE1-O 3.34Å; S322-K324 PolarHBondContact O-N 3.02Å; S322-G325 PolarHBondContact O-N 3.16Å; S322-G325 WeakPolarHBondContact OG-CA 3.44Å; S322-G325 PolarHBondContact OG-N 2.91Å; S322-G325 VanDerWaalsContact OG-N 3.12Å; S322-G325 PolarHBondContact OG-O 3.18Å
323	V	96.1	Very high	94.1	Very high	50 Å²	50	58.2 Å²	58.2	30%	0.303	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-35.4	180	171.2	0	0	0	0	112.1	W110 V312 F314 F321	W110-V323 PolarHBondContact NE1-O 3.03Å; V312-V323 HydrophobicContact CB-CB 4.43Å; V312-V323 HydrophobicContact CB-CG2 4.13Å; V312-V323 HydrophobicContact CG1-CG2 3.76Å; V312-V323 WeakPolarHBondContact O-CG2 3.2Å; V312-V323 PolarHBondContact O-N 2.95Å; F314-V323 HydrophobicContact CB-CG2 4.19Å; F314-V323 HydrophobicContact CD1-CB 4.31Å; F314-V323 HydrophobicContact CD1-CG2 3.68Å; F314-V323 HydrophobicContact CG-CG2 4.37Å; F321-V323 PolarHBondContact O-N 3.42Å
324	K	95.6	Very high	93.8	Very high	116 Å²	116	61.6 Å²	61.6	50%	0.504	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	9.7	-177.4	-63.9	-173.1	-179.7	179.4	0	113.1	S322 C326 K327 T328	S322-K324 PolarHBondContact O-N 3.02Å; K324-C326 PolarHBondContact O-N 2.87Å; K324-K327 VanDerWaalsContact O-CB 3.32Å; K324-K327 WeakPolarHBondContact O-CB 3.47Å; K324-K327 PolarHBondContact O-N 3.05Å; K324-K327 VanDerWaalsContact O-N 3.11Å; K324-T328 HydrophobicContact CB-CG2 4.44Å; K324-T328 HydrophobicContact CD-CG2 3.5Å
325	G	96.3	Very high	93.6	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	52	-127.3	-169.7	0	0	0	0	0	110.8	G112 S322	G112-G325 WeakPolarHBondContact O-CA 3.48Å; S322-G325 PolarHBondContact O-N 3.16Å; S322-G325 WeakPolarHBondContact OG-CA 3.44Å; S322-G325 PolarHBondContact OG-N 2.91Å; S322-G325 VanDerWaalsContact OG-N 3.12Å; S322-G325 PolarHBondContact OG-O 3.18Å
326	C	97.1	Very high	93.2	Very high	28 Å²	28	68.9 Å²	68.9	19%	0.189	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	4.6	178.6	-64.7	0	0	0	0	114.7	G112 L279 C287 K324 T328 I329	G112-C326 PolarHBondContact O-N 3.39Å; L279-C326 HydrophobicContact CD1-CB 4.29Å; L279-C326 WeakPolarHBondContact CD1-SG 3.26Å; C287-C326 HydrophobicContact CB-CB 3.65Å; C287-C326 WeakPolarHBondContact CB-SG 3.41Å; C287-C326 WeakPolarHBondContact SG-CB 3.35Å; C287-C326 CovalentContact SG-SG 2.03Å; C287-C326 PolarHBondContact SG-SG 2.93Å; K324-C326 PolarHBondContact O-N 2.87Å; C326-T328 VanDerWaalsContact C-N 3.29Å; C326-T328 PolarHBondContact O-N 2.94Å; C326-T328 VanDerWaalsContact O-N 3.17Å; C326-I329 HydrophobicContact CB-CD1 3.6Å; C326-I329 HydrophobicContact CB-CG1 4.41Å; C326-I329 PolarHBondContact O-N 3.45Å
327	K	94.4	Very high	92.5	Very high	152 Å²	152	64.2 Å²	64.2	66%	0.661	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-28.4	-168.4	-170.8	170.6	-177.7	172.9	0	115.1	K324	K324-K327 VanDerWaalsContact O-CB 3.32Å; K324-K327 WeakPolarHBondContact O-CB 3.47Å; K324-K327 PolarHBondContact O-N 3.05Å; K324-K327 VanDerWaalsContact O-N 3.11Å
328	T	93.5	Very high	92.6	Very high	27 Å²	27	62.5 Å²	62.5	17%	0.166	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	8.3	-175.4	57.2	0	0	0	0	113.5	K324 C326 S331 K332	K324-T328 HydrophobicContact CB-CG2 4.44Å; K324-T328 HydrophobicContact CD-CG2 3.5Å; C326-T328 VanDerWaalsContact C-N 3.29Å; C326-T328 PolarHBondContact O-N 2.94Å; C326-T328 VanDerWaalsContact O-N 3.17Å; T328-S331 PolarHBondContact O-OG 3.46Å; T328-K332 WeakPolarHBondContact O-CB 3.41Å; T328-K332 WeakPolarHBondContact O-CG 3.44Å; T328-K332 PolarHBondContact O-N 3.03Å; T328-K332 VanDerWaalsContact O-N 3.14Å
329	I	93.7	Very high	92.6	Very high	3 Å²	3	62.9 Å²	62.9	2%	0.015	31%	0.305	C	S	.	.	H	α-helix	trans	-66.3	-46.2	-176.2	-70.9	178	0	0	0	110.4	V284 C287 A288 E291 C326 S331 K332 L333	V284-I329 HydrophobicContact CG1-CD1 3.9Å; V284-I329 HydrophobicContact CG1-CG1 4.45Å; C287-I329 HydrophobicContact CB-CD1 3.26Å; A288-I329 HydrophobicContact CB-CG2 3.91Å; E291-I329 HydrophobicContact CB-CG2 4.15Å; E291-I329 HydrophobicContact CG-CG2 4.39Å; C326-I329 HydrophobicContact CB-CD1 3.6Å; C326-I329 HydrophobicContact CB-CG1 4.41Å; C326-I329 PolarHBondContact O-N 3.45Å; I329-S331 PolarHBondContact O-N 3.44Å; I329-K332 PolarHBondContact O-N 3.49Å; I329-L333 PolarHBondContact O-N 3Å
330	E	91.9	Very high	92.5	Very high	120 Å²	120	57.9 Å²	57.9	56%	0.561	29%	0.29	S	S	*	.	H	α-helix	trans	-48.4	-59.1	176.6	-175.2	-175.1	176.3	0	0	111.3	R295 K332 L333	R295-E330 PolarHBondContact NH2-O 3.48Å; E330-K332 PolarHBondContact O-N 3.39Å; E330-L333 PolarHBondContact O-N 3.27Å
331	S	91.4	Very high	92.4	Very high	62 Å²	62	60.6 Å²	60.6	43%	0.434	30%	0.303	S	S	.	.	H	α-helix	trans	-64.8	-23.2	179	58.6	0	0	0	0	114.7	T328 I329 F335	T328-S331 PolarHBondContact O-OG 3.46Å; I329-S331 PolarHBondContact O-N 3.44Å; S331-F335 WeakPolarHBondContact O-CE2 3.21Å
332	K	91.8	Very high	92	Very high	51 Å²	51	64.4 Å²	64.4	22%	0.222	32%	0.322	C	S	.	.	H	α-helix	trans	-83.2	-34.4	179.9	-89	179.5	165.9	-94	0	111.5	V307 D310 L311 T328 I329 E330 D334 F335 Y336	V307-K332 HydrophobicContact CG1-CB 4.14Å; D310-K332 PolarHBondContact O-NZ 3.11Å; L311-K332 HydrophobicContact CD2-CD 3.3Å; L311-K332 VanDerWaalsContact CD2-CE 3.46Å; T328-K332 WeakPolarHBondContact O-CB 3.41Å; T328-K332 WeakPolarHBondContact O-CG 3.44Å; T328-K332 PolarHBondContact O-N 3.03Å; T328-K332 VanDerWaalsContact O-N 3.14Å; I329-K332 PolarHBondContact O-N 3.49Å; E330-K332 PolarHBondContact O-N 3.39Å; K332-D334 PolarHBondContact O-N 2.7Å; K332-F335 WeakPolarHBondContact O-CD2 3.46Å; K332-F335 PolarHBondContact O-N 3.23Å; K332-F335 VanDerWaalsContact O-N 3.1Å; K332-Y336 WeakPolarHBondContact O-CD2 3.33Å; K332-Y336 WeakPolarHBondContact O-CE2 3.27Å
333	L	91.9	Very high	91.6	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-60.2	-32.8	-178.7	-169.5	62.6	0	0	0	111.6	E291 M292 V303 V307 I329 E330 F335 Y336 T337	E291-L333 HydrophobicContact CB-CD2 4.34Å; E291-L333 HydrophobicContact CG-CD2 3.85Å; M292-L333 HydrophobicContact CE-CD1 3.48Å; M292-L333 VanDerWaalsContact CE-CD1 3.48Å; M292-L333 HydrophobicContact CG-CD1 3.98Å; M292-L333 HydrophobicContact CG-CD2 3.7Å; M292-L333 HydrophobicContact CG-CG 4.47Å; V303-L333 HydrophobicContact CG1-CD1 4.24Å; V307-L333 HydrophobicContact CG2-CD1 4.1Å; I329-L333 PolarHBondContact O-N 3Å; E330-L333 PolarHBondContact O-N 3.27Å; L333-F335 PolarHBondContact O-N 2.86Å; L333-Y336 PolarHBondContact O-N 2.9Å; L333-T337 HydrophobicContact CD1-CG2 3.79Å; L333-T337 HydrophobicContact CG-CG2 3.93Å; L333-T337 PolarHBondContact O-N 2.61Å; L333-T337 VanDerWaalsContact O-N 3.16Å; L333-T337 PolarHBondContact O-OG1 2.73Å; L333-T337 VanDerWaalsContact O-OG1 3.14Å
334	D	90.6	Very high	91.3	Very high	90 Å²	90	69.9 Å²	69.9	48%	0.481	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-20.7	175.3	-58.8	-23.1	0	0	0	114.3	R295 K332	R295-D334 IonicContact CZ-OD1 3.88Å; R295-D334 IonicContact NH1-OD1 3.59Å; R295-D334 PolarHBondContact NH1-OD1 3.17Å; R295-D334 IonicContact NH2-OD1 2.91Å; R295-D334 PolarHBondContact NH2-OD1 3.47Å; K332-D334 PolarHBondContact O-N 2.7Å
335	F	90.8	Very high	91	Very high	167 Å²	167	66.3 Å²	66.3	73%	0.732	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-8.6	176.8	-61.2	-71.3	0	0	0	113.8	S331 K332 L333	S331-F335 WeakPolarHBondContact O-CE2 3.21Å; K332-F335 WeakPolarHBondContact O-CD2 3.46Å; K332-F335 PolarHBondContact O-N 3.23Å; K332-F335 VanDerWaalsContact O-N 3.1Å; L333-F335 PolarHBondContact O-N 2.86Å
336	Y	86	Confident	90.6	Very high	58 Å²	58	71.8 Å²	71.8	23%	0.227	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.9	-8.8	-174.5	-49.1	-96.9	0	0	0	113.8	V303 Q306 V307 D310 K332 L333	V303-Y336 HydrophobicContact CG1-CG 4.36Å; Q306-Y336 HydrophobicContact CB-CD1 4.47Å; Q306-Y336 HydrophobicContact CB-CE1 4.35Å; Q306-Y336 VanDerWaalsContact CD-CE1 3.46Å; Q306-Y336 HydrophobicContact CG-CD1 3.99Å; Q306-Y336 HydrophobicContact CG-CE1 3.58Å; V307-Y336 HydrophobicContact CG2-CD2 3.44Å; V307-Y336 VanDerWaalsContact CG2-CD2 3.44Å; V307-Y336 HydrophobicContact CG2-CE2 3.62Å; V307-Y336 HydrophobicContact CG2-CG 4.01Å; D310-Y336 PolarHBondContact OD2-OH 3.44Å; K332-Y336 WeakPolarHBondContact O-CD2 3.33Å; K332-Y336 WeakPolarHBondContact O-CE2 3.27Å; L333-Y336 PolarHBondContact O-N 2.9Å
337	T	73.8	Confident	90	Very high	104 Å²	104	75.8 Å²	75.8	64%	0.638	38%	0.376	S	S	*	.			trans	-127.8	0	-178.7	62	0	0	0	0	110.9	L297 L333	L297-T337 HydrophobicContact CD1-CG2 3.95Å; L333-T337 HydrophobicContact CD1-CG2 3.79Å; L333-T337 HydrophobicContact CG-CG2 3.93Å; L333-T337 PolarHBondContact O-N 2.61Å; L333-T337 VanDerWaalsContact O-N 3.16Å; L333-T337 PolarHBondContact O-OG1 2.73Å; L333-T337 VanDerWaalsContact O-OG1 3.14Å

Retrieved 337 of 337 residues in 574.2 ms (Link to these results)

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