A0A077ZBP3_TRITR Loading...

mRNA cap guanine-N(7) methyltransferase

AlphaFold DB , UniProt , Accession A0A077ZBP3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 354 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	31.6	Very low	42.4	Very low	226 Å²	226	116.4 Å²	116.4	100%	1.113	59%	0.588	S	S	*	*				0	104.5	0	-79.5	168.5	54.2	0	0	105.6
2	D	36.6	Very low	45	Very low	118 Å²	118	111.8 Å²	111.8	63%	0.631	58%	0.575	S	S	*	*			trans	153.6	-3.5	157	-75.9	-17.9	0	0	0	114.3	D4	D2-D4 VanDerWaalsContact C-N 3.33Å; D2-D4 PolarHBondContact O-N 3.33Å
3	E	33.4	Very low	47.9	Very low	161 Å²	161	110.3 Å²	110.3	75%	0.752	56%	0.564	S	S	*	*	H	α-helix	trans	-71.8	-23.3	174.6	-73.8	-175.4	-178.7	0	0	114.1
4	D	34.4	Very low	50.4	Low	123 Å²	123	103.5 Å²	103.5	66%	0.658	53%	0.53	S	S	*	.	H	α-helix	trans	-83.1	-19	-177.4	-69.7	-33.8	0	0	0	113.7	D2	D2-D4 VanDerWaalsContact C-N 3.33Å; D2-D4 PolarHBondContact O-N 3.33Å
5	K	30.3	Very low	52.7	Low	165 Å²	165	97.4 Å²	97.4	72%	0.717	50%	0.501	S	S	*	.	H	α-helix	trans	-73.4	-34.5	179.3	-81.6	-172	177.2	175.3	0	112.9	K7 G9	K5-K7 VanDerWaalsContact C-N 3.32Å; K5-K7 PolarHBondContact O-N 2.73Å; K5-G9 PolarHBondContact O-N 2.88Å
6	E	39	Very low	54.9	Low	173 Å²	173	96.5 Å²	96.5	81%	0.808	49%	0.494	S	S	*	.	H	α-helix	trans	-69.9	-30.8	177.2	-78.9	-171.5	155.7	0	0	112.4	H8	E6-H8 PolarHBondContact O-N 2.91Å
7	K	42.7	Very low	56.8	Low	112 Å²	112	92.8 Å²	92.8	49%	0.487	47%	0.474	S	S	.	.	H	α-helix	trans	-68.8	-33.8	-178.4	-70.9	-179.3	-175.2	164.3	0	113.7	K5	K5-K7 VanDerWaalsContact C-N 3.32Å; K5-K7 PolarHBondContact O-N 2.73Å
8	H	45.3	Very low	58.3	Low	122 Å²	122	90.8 Å²	90.8	57%	0.565	46%	0.46	S	S	*	.	H	α-helix	trans	-92.7	-18.4	178.4	-76.7	-14.2	0	0	0	114.2	E6 G10 S11	E6-H8 PolarHBondContact O-N 2.91Å; H8-G10 PolarHBondContact O-N 2.79Å; H8-S11 PolarHBondContact O-OG 2.84Å
9	G	47.9	Very low	59.9	Low	41 Å²	41	88.8 Å²	88.8	42%	0.423	45%	0.451	S	S	.	.	H	α-helix	trans	-60.9	-29.3	-176.8	0	0	0	0	0	114.4	K5 H13	K5-G9 PolarHBondContact O-N 2.88Å; G9-H13 WeakPolarHBondContact O-CB 3.49Å; G9-H13 PolarHBondContact O-N 3.38Å
10	G	57.6	Low	61.3	Low	13 Å²	13	91.8 Å²	91.8	13%	0.134	46%	0.46	C	S	.	.	H	α-helix	trans	-64.7	-44.4	-176.1	0	0	0	0	0	114.5	H8 H13 V14	H8-G10 PolarHBondContact O-N 2.79Å; G10-H13 PolarHBondContact O-N 3.48Å; G10-V14 WeakPolarHBondContact O-CG2 3.34Å; G10-V14 PolarHBondContact O-N 2.83Å; G10-V14 VanDerWaalsContact O-N 3.12Å
11	S	67.3	Low	62.4	Low	26 Å²	26	89.3 Å²	89.3	18%	0.182	45%	0.449	C	S	.	.	H	α-helix	trans	-70.7	-43	-174.5	61.6	0	0	0	0	112.4	H8 H13 V14 A15	H8-S11 PolarHBondContact O-OG 2.84Å; S11-H13 VanDerWaalsContact C-N 3.29Å; S11-H13 PolarHBondContact O-N 3.4Å; S11-V14 PolarHBondContact O-N 2.83Å; S11-A15 WeakPolarHBondContact O-CB 3.27Å; S11-A15 PolarHBondContact O-N 2.88Å
12	S	74.2	Confident	64.6	Low	62 Å²	62	82.6 Å²	82.6	43%	0.434	42%	0.422	S	S	.	.	H	α-helix	trans	-58.8	-42.6	174.1	-166.8	0	0	0	0	111.2	V14 A15 E16	S12-V14 PolarHBondContact O-N 2.89Å; S12-A15 PolarHBondContact O-N 3.26Å; S12-E16 WeakPolarHBondContact O-CB 3.16Å; S12-E16 VanDerWaalsContact O-CG 3.29Å; S12-E16 WeakPolarHBondContact O-CG 3.3Å; S12-E16 PolarHBondContact O-N 3.06Å; S12-E16 PolarHBondContact OG-OE1 2.96Å
13	H	82.1	Confident	66.6	Low	92 Å²	92	82.2 Å²	82.2	43%	0.426	42%	0.417	S	S	.	.	H	α-helix	trans	-64.6	-41.3	179.4	-167.8	-83.8	0	0	0	112.8	G9 G10 S11 H17	G9-H13 WeakPolarHBondContact O-CB 3.49Å; G9-H13 PolarHBondContact O-N 3.38Å; G10-H13 PolarHBondContact O-N 3.48Å; S11-H13 VanDerWaalsContact C-N 3.29Å; S11-H13 PolarHBondContact O-N 3.4Å; H13-H17 WeakPolarHBondContact O-CB 3.38Å; H13-H17 PolarHBondContact O-N 3.15Å
14	V	83.4	Confident	69	Low	15 Å²	15	79.2 Å²	79.2	9%	0.091	40%	0.398	C	S	.	.	H	α-helix	trans	-66.3	-45.5	176.1	174.6	0	0	0	0	111	G10 S11 S12 E16 H17 Y18 Y159 C240	G10-V14 WeakPolarHBondContact O-CG2 3.34Å; G10-V14 PolarHBondContact O-N 2.83Å; G10-V14 VanDerWaalsContact O-N 3.12Å; S11-V14 PolarHBondContact O-N 2.83Å; S12-V14 PolarHBondContact O-N 2.89Å; V14-E16 PolarHBondContact O-N 2.98Å; V14-H17 PolarHBondContact O-N 3.21Å; V14-Y18 HydrophobicContact CG1-CD2 3.82Å; V14-Y18 HydrophobicContact CG1-CE2 3.79Å; V14-Y18 VanDerWaalsContact O-CD2 3.29Å; V14-Y18 WeakPolarHBondContact O-CD2 3.38Å; V14-Y18 PolarHBondContact O-N 2.94Å; V14-Y18 VanDerWaalsContact O-N 3.13Å; V14-Y159 HydrophobicContact CG1-CD1 4.39Å; V14-Y159 HydrophobicContact CG1-CD2 4.3Å; V14-Y159 HydrophobicContact CG1-CG 4.26Å; V14-Y159 HydrophobicContact CG2-CD1 3.93Å; V14-Y159 HydrophobicContact CG2-CE1 4.33Å; V14-Y159 HydrophobicContact CG2-CG 4.38Å; V14-C240 HydrophobicContact CG2-CB 4.46Å
15	A	85.5	Confident	71.3	Confident	12 Å²	12	76 Å²	76	10%	0.099	39%	0.385	C	S	.	.	H	α-helix	trans	-60.6	-45.6	178.3	0	0	0	0	0	111.7	S11 S12 Y18 N19 I94	S11-A15 WeakPolarHBondContact O-CB 3.27Å; S11-A15 PolarHBondContact O-N 2.88Å; S12-A15 PolarHBondContact O-N 3.26Å; A15-Y18 PolarHBondContact O-N 3Å; A15-N19 WeakPolarHBondContact O-CB 3.35Å; A15-N19 VanDerWaalsContact O-CG 3.27Å; A15-N19 PolarHBondContact O-N 3.12Å; A15-N19 PolarHBondContact O-ND2 2.69Å; A15-I94 HydrophobicContact CB-CD1 4.23Å; A15-I94 HydrophobicContact CB-CG1 4.1Å; A15-I94 HydrophobicContact CB-CG2 3.85Å
16	E	88	Confident	73.7	Confident	83 Å²	83	75.4 Å²	75.4	39%	0.388	39%	0.389	S	S	.	.	H	α-helix	trans	-61	-45.2	175.7	-78.8	-177.1	-141.5	0	0	112.5	S12 V14 Y18 N19 K20	S12-E16 WeakPolarHBondContact O-CB 3.16Å; S12-E16 VanDerWaalsContact O-CG 3.29Å; S12-E16 WeakPolarHBondContact O-CG 3.3Å; S12-E16 PolarHBondContact O-N 3.06Å; S12-E16 PolarHBondContact OG-OE1 2.96Å; V14-E16 PolarHBondContact O-N 2.98Å; E16-Y18 PolarHBondContact O-N 3.25Å; E16-N19 PolarHBondContact O-N 2.81Å; E16-K20 WeakPolarHBondContact O-CB 3.41Å; E16-K20 WeakPolarHBondContact O-CD 3.3Å; E16-K20 WeakPolarHBondContact O-CG 3.31Å; E16-K20 PolarHBondContact O-N 3.21Å; E16-K20 IonicContact OE2-NZ 3.54Å; E16-K20 PolarHBondContact OE2-NZ 2.81Å
17	H	86.8	Confident	75.9	Confident	33 Å²	33	74 Å²	74	15%	0.153	38%	0.383	C	S	.	.	H	α-helix	trans	-54.6	-51.9	177	176.3	73.9	0	0	0	111	H13 V14 N19 K20 L21 V237 D239	H13-H17 WeakPolarHBondContact O-CB 3.38Å; H13-H17 PolarHBondContact O-N 3.15Å; V14-H17 PolarHBondContact O-N 3.21Å; H17-N19 PolarHBondContact O-N 2.81Å; H17-K20 PolarHBondContact O-N 3.12Å; H17-L21 WeakPolarHBondContact O-CG 3.16Å; H17-L21 PolarHBondContact O-N 2.84Å; H17-L21 VanDerWaalsContact O-N 3.16Å; H17-V237 PolarHBondContact NE2-O 3.4Å; H17-V237 VanDerWaalsContact NE2-O 3.1Å; H17-D239 PolarHBondContact CE1-N 3.13Å
18	Y	83.9	Confident	78	Confident	58 Å²	58	73.4 Å²	73.4	23%	0.227	38%	0.381	C	S	.	.	H	α-helix	trans	-69.9	-34.1	-178.3	-77.4	-70.3	0	0	0	113.9	V14 A15 E16 K20 L21 K74 Y159	V14-Y18 HydrophobicContact CG1-CD2 3.82Å; V14-Y18 HydrophobicContact CG1-CE2 3.79Å; V14-Y18 VanDerWaalsContact O-CD2 3.29Å; V14-Y18 WeakPolarHBondContact O-CD2 3.38Å; V14-Y18 PolarHBondContact O-N 2.94Å; V14-Y18 VanDerWaalsContact O-N 3.13Å; A15-Y18 PolarHBondContact O-N 3Å; E16-Y18 PolarHBondContact O-N 3.25Å; Y18-K20 VanDerWaalsContact C-N 3.35Å; Y18-L21 HydrophobicContact CD1-CD1 3.86Å; Y18-L21 HydrophobicContact CE1-CD1 4.24Å; Y18-L21 PolarHBondContact O-N 3.19Å; Y18-K74 PolarHBondContact O-NZ 3.01Å; Y18-Y159 HydrophobicContact CE2-CE2 4.29Å; Y18-Y159 PolarHBondContact OH-OH 3.11Å; Y18-Y159 VanDerWaalsContact OH-OH 3.05Å
19	N	88.2	Confident	80	Confident	52 Å²	52	70.7 Å²	70.7	28%	0.278	37%	0.366	S	S	.	.	H	α-helix	trans	-65.1	-37.6	172.9	-77.6	-24.1	0	0	0	112	A15 E16 H17 A95 V97	A15-N19 WeakPolarHBondContact O-CB 3.35Å; A15-N19 VanDerWaalsContact O-CG 3.27Å; A15-N19 PolarHBondContact O-N 3.12Å; A15-N19 PolarHBondContact O-ND2 2.69Å; E16-N19 PolarHBondContact O-N 2.81Å; H17-N19 PolarHBondContact O-N 2.81Å; N19-A95 VanDerWaalsContact OD1-CB 3.32Å; N19-A95 WeakPolarHBondContact OD1-CB 3.38Å; N19-V97 HydrophobicContact CB-CB 4.35Å; N19-V97 HydrophobicContact CB-CG2 4.42Å; N19-V97 VanDerWaalsContact OD1-CB 3.32Å; N19-V97 WeakPolarHBondContact OD1-CB 3.16Å; N19-V97 PolarHBondContact OD1-N 2.96Å
20	K	87.8	Confident	81.9	Confident	148 Å²	148	71.7 Å²	71.7	64%	0.643	37%	0.367	S	S	*	.	H	α-helix	trans	-74.9	-23.8	179.9	-73.3	165.5	178.4	163.2	0	113.3	E16 H17 Y18 P22	E16-K20 WeakPolarHBondContact O-CB 3.41Å; E16-K20 WeakPolarHBondContact O-CD 3.3Å; E16-K20 WeakPolarHBondContact O-CG 3.31Å; E16-K20 PolarHBondContact O-N 3.21Å; E16-K20 IonicContact OE2-NZ 3.54Å; E16-K20 PolarHBondContact OE2-NZ 2.81Å; H17-K20 PolarHBondContact O-N 3.12Å; Y18-K20 VanDerWaalsContact C-N 3.35Å; K20-P22 WeakPolarHBondContact O-CD 3.33Å
21	L	83.5	Confident	83.4	Confident	40 Å²	40	78.1 Å²	78.1	21%	0.209	39%	0.393	C	S	.	.	S	Bend	trans	-61.9	123.6	179.3	-76.4	175.3	0	0	0	111.3	H17 Y18 K74	H17-L21 WeakPolarHBondContact O-CG 3.16Å; H17-L21 PolarHBondContact O-N 2.84Å; H17-L21 VanDerWaalsContact O-N 3.16Å; Y18-L21 HydrophobicContact CD1-CD1 3.86Å; Y18-L21 HydrophobicContact CE1-CD1 4.24Å; Y18-L21 PolarHBondContact O-N 3.19Å; L21-K74 PolarHBondContact O-NZ 2.91Å
22	P	79.9	Confident	84.6	Confident	86 Å²	86	77.5 Å²	77.5	56%	0.558	39%	0.389	S	S	*	.			trans	-67	148.8	179.9	26.9	-34	0	0	0	111.6	K20 R24	K20-P22 WeakPolarHBondContact O-CD 3.33Å; P22-R24 PolarHBondContact O-N 2.7Å
23	Q	77.6	Confident	85.5	Confident	110 Å²	110	76 Å²	76	51%	0.514	37%	0.374	S	S	.	.			trans	-77.5	103.5	169.6	-173.4	172.4	104.6	0	0	108.8
24	R	83.7	Confident	86.2	Confident	98 Å²	98	71.6 Å²	71.6	37%	0.37	35%	0.353	S	S	.	.			trans	-84.4	142.8	176.2	-59.7	-174.4	-172.5	179	3	111.1	P22 E28 D236	P22-R24 PolarHBondContact O-N 2.7Å; R24-E28 WeakPolarHBondContact CA-OE2 3.44Å; R24-E28 HydrophobicContact CB-CB 4.09Å; R24-D236 IonicContact CZ-OD1 3.23Å; R24-D236 IonicContact CZ-OD2 3.07Å; R24-D236 VanDerWaalsContact NH1-CG 3.26Å; R24-D236 IonicContact NH1-OD1 2.67Å; R24-D236 IonicContact NH1-OD2 2.99Å; R24-D236 PolarHBondContact NH1-OD2 3.12Å; R24-D236 IonicContact NH2-OD1 3.77Å; R24-D236 PolarHBondContact NH2-OD1 2.83Å; R24-D236 IonicContact NH2-OD2 2.75Å; R24-D236 PolarHBondContact NH2-OD2 3.5Å
25	S	81.8	Confident	86.8	Confident	55 Å²	55	72.1 Å²	72.1	39%	0.385	35%	0.354	S	S	.	.			trans	-64.3	163.9	172.2	68.9	0	0	0	0	111.8	Q27 E28 R29	S25-Q27 PolarHBondContact O-N 2.66Å; S25-E28 PolarHBondContact N-OE2 3.19Å; S25-E28 PolarHBondContact O-N 3.32Å; S25-E28 WeakPolarHBondContact OG-CB 3.3Å; S25-E28 VanDerWaalsContact OG-CG 3.26Å; S25-E28 WeakPolarHBondContact OG-CG 3.38Å; S25-E28 PolarHBondContact OG-N 3Å; S25-E28 VanDerWaalsContact OG-N 3.13Å; S25-E28 PolarHBondContact OG-OE2 2.97Å; S25-R29 WeakPolarHBondContact O-CB 3.49Å; S25-R29 PolarHBondContact O-N 3.38Å
26	L	81.5	Confident	87.3	Confident	152 Å²	152	72.7 Å²	72.7	80%	0.796	35%	0.354	S	S	*	.	H	α-helix	trans	-60.8	-35.4	174.7	-67.8	178	0	0	0	111.9	R29 S30	L26-R29 PolarHBondContact O-N 3.01Å; L26-S30 PolarHBondContact O-N 2.63Å
27	Q	85.1	Confident	87.8	Confident	145 Å²	145	68.8 Å²	68.8	68%	0.678	34%	0.336	S	S	*	.	H	α-helix	trans	-66.9	-49	178.2	-173.5	174.2	6	0	0	111.2	S25 R29 S30 Q31	S25-Q27 PolarHBondContact O-N 2.66Å; Q27-R29 VanDerWaalsContact C-N 3.26Å; Q27-R29 PolarHBondContact O-N 3.09Å; Q27-S30 WeakPolarHBondContact O-CB 3.5Å; Q27-S30 PolarHBondContact O-N 2.98Å; Q27-S30 VanDerWaalsContact O-N 3.09Å; Q27-S30 PolarHBondContact O-OG 3.31Å; Q27-Q31 PolarHBondContact O-N 3.33Å
28	E	87.2	Confident	88.2	Confident	98 Å²	98	70.6 Å²	70.6	46%	0.458	34%	0.342	S	S	.	.	H	α-helix	trans	-60.7	-38.1	175.3	-70.6	166.7	141.9	0	0	111.6	R24 S25 S30 Q31	R24-E28 WeakPolarHBondContact CA-OE2 3.44Å; R24-E28 HydrophobicContact CB-CB 4.09Å; S25-E28 PolarHBondContact N-OE2 3.19Å; S25-E28 PolarHBondContact O-N 3.32Å; S25-E28 WeakPolarHBondContact OG-CB 3.3Å; S25-E28 VanDerWaalsContact OG-CG 3.26Å; S25-E28 WeakPolarHBondContact OG-CG 3.38Å; S25-E28 PolarHBondContact OG-N 3Å; S25-E28 VanDerWaalsContact OG-N 3.13Å; S25-E28 PolarHBondContact OG-OE2 2.97Å; E28-S30 VanDerWaalsContact C-N 3.29Å; E28-S30 PolarHBondContact O-N 2.8Å; E28-Q31 PolarHBondContact O-N 3.38Å
29	R	86.6	Confident	88.9	Confident	66 Å²	66	68.5 Å²	68.5	25%	0.249	33%	0.334	C	S	.	.	H	α-helix	trans	-65.1	-33.4	176.5	-172.3	175.8	175.2	172.8	-1.4	112.4	S25 L26 Q27 Q31 S32 F35 N42	S25-R29 WeakPolarHBondContact O-CB 3.49Å; S25-R29 PolarHBondContact O-N 3.38Å; L26-R29 PolarHBondContact O-N 3.01Å; Q27-R29 VanDerWaalsContact C-N 3.26Å; Q27-R29 PolarHBondContact O-N 3.09Å; R29-Q31 PolarHBondContact O-N 3.04Å; R29-S32 WeakPolarHBondContact O-CB 3.36Å; R29-S32 PolarHBondContact O-N 3.39Å; R29-F35 WeakPolarHBondContact O-CD2 3.36Å; R29-N42 PolarHBondContact NH2-ND2 3.36Å
30	S	87.9	Confident	89.4	Confident	61 Å²	61	66 Å²	66	43%	0.427	32%	0.321	S	S	.	.	H	α-helix	trans	-68	-19	177.7	76.2	0	0	0	0	113.9	L26 Q27 E28	L26-S30 PolarHBondContact O-N 2.63Å; Q27-S30 WeakPolarHBondContact O-CB 3.5Å; Q27-S30 PolarHBondContact O-N 2.98Å; Q27-S30 VanDerWaalsContact O-N 3.09Å; Q27-S30 PolarHBondContact O-OG 3.31Å; E28-S30 VanDerWaalsContact C-N 3.29Å; E28-S30 PolarHBondContact O-N 2.8Å
31	Q	89	Confident	89.8	Confident	148 Å²	148	59.9 Å²	59.9	69%	0.692	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-1.6	179.3	-64.1	175.5	-31.4	0	0	113	Q27 E28 R29	Q27-Q31 PolarHBondContact O-N 3.33Å; E28-Q31 PolarHBondContact O-N 3.38Å; R29-Q31 PolarHBondContact O-N 3.04Å
32	S	92.3	Very high	90.5	Very high	13 Å²	13	59.1 Å²	59.1	9%	0.091	29%	0.291	C	S	.	.	S	Bend	trans	-71.6	140.3	-177.2	-177.3	0	0	0	0	112.4	R29 I34 F35	R29-S32 WeakPolarHBondContact O-CB 3.36Å; R29-S32 PolarHBondContact O-N 3.39Å; S32-I34 PolarHBondContact O-N 3.45Å; S32-I34 WeakPolarHBondContact OG-CG1 3.42Å; S32-I34 PolarHBondContact OG-N 3.16Å; S32-F35 VanDerWaalsContact O-CB 3.25Å; S32-F35 WeakPolarHBondContact O-CB 3.24Å; S32-F35 PolarHBondContact O-N 2.96Å
33	R	94.5	Very high	91.4	Very high	30 Å²	30	55 Å²	55	11%	0.113	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-24.2	173	174.3	59	-175.4	88.6	0.4	113.6	E209 I210 Y235 A302 S335 D337 E338	R33-E209 IonicContact NH2-OE2 3.58Å; R33-I210 HydrophobicContact CG-CG2 3.51Å; R33-Y235 HydrophobicContact CB-CD1 4.06Å; R33-Y235 HydrophobicContact CB-CE1 3.9Å; R33-Y235 HydrophobicContact CB-CE2 4.47Å; R33-Y235 HydrophobicContact CB-CG 4.42Å; R33-A302 WeakPolarHBondContact CD-O 3.17Å; R33-S335 PolarHBondContact NH1-OG 3.18Å; R33-S335 PolarHBondContact NH2-OG 2.9Å; R33-D337 IonicContact NH2-OD2 3.47Å; R33-D337 PolarHBondContact NH2-OD2 3.34Å; R33-E338 IonicContact NH1-OE2 3.89Å
34	I	95.5	Very high	92.4	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.5	23.6	179.6	61.4	164.3	0	0	0	112.5	S32 Y36 L37 R38 I210 L234 Y235 V237	S32-I34 PolarHBondContact O-N 3.45Å; S32-I34 WeakPolarHBondContact OG-CG1 3.42Å; S32-I34 PolarHBondContact OG-N 3.16Å; I34-Y36 PolarHBondContact O-N 3.4Å; I34-L37 HydrophobicContact CB-CB 4.33Å; I34-L37 HydrophobicContact CB-CD2 4.38Å; I34-L37 HydrophobicContact CG2-CD2 4.39Å; I34-L37 PolarHBondContact O-N 3.28Å; I34-R38 HydrophobicContact CD1-CG 3.86Å; I34-R38 HydrophobicContact CG1-CG 4.04Å; I34-R38 WeakPolarHBondContact O-CB 3.38Å; I34-R38 VanDerWaalsContact O-CG 3.26Å; I34-R38 WeakPolarHBondContact O-CG 3.44Å; I34-R38 PolarHBondContact O-N 3.28Å; I34-I210 HydrophobicContact CG2-CB 3.91Å; I34-I210 HydrophobicContact CG2-CD1 3.82Å; I34-I210 HydrophobicContact CG2-CG1 4.41Å; I34-I210 HydrophobicContact CG2-CG2 4.07Å; I34-L234 HydrophobicContact CD1-CD2 4.43Å; I34-L234 HydrophobicContact CD1-CG 4.18Å; I34-Y235 WeakPolarHBondContact CD1-O 3.48Å; I34-V237 HydrophobicContact CD1-CG1 3.94Å; I34-V237 HydrophobicContact CD1-CG2 3.83Å
35	F	95.8	Very high	93.1	Very high	26 Å²	26	46.2 Å²	46.2	11%	0.114	23%	0.227	C	C	.	.	H	α-helix	trans	-54.4	-51.5	-179.1	171.6	-111.8	0	0	0	112.2	R29 S32 R38 N39 Q288	R29-F35 WeakPolarHBondContact O-CD2 3.36Å; S32-F35 VanDerWaalsContact O-CB 3.25Å; S32-F35 WeakPolarHBondContact O-CB 3.24Å; S32-F35 PolarHBondContact O-N 2.96Å; F35-R38 PolarHBondContact O-N 2.84Å; F35-N39 VanDerWaalsContact CE1-ND2 3.32Å; F35-N39 WeakPolarHBondContact CE1-ND2 3.27Å; F35-N39 WeakPolarHBondContact CE2-ND2 3.48Å; F35-N39 WeakPolarHBondContact CZ-ND2 3.38Å; F35-N39 VanDerWaalsContact O-CG 3.23Å; F35-N39 PolarHBondContact O-N 3.2Å; F35-N39 PolarHBondContact O-ND2 3.27Å; F35-Q288 HydrophobicContact CE1-CB 4.08Å; F35-Q288 HydrophobicContact CZ-CB 4.36Å
36	Y	97.4	Very high	93.9	Very high	24 Å²	24	44.5 Å²	44.5	9%	0.094	22%	0.215	C	C	.	.	H	α-helix	trans	-67.3	-44.4	-178.3	-62.9	-73.2	0	0	0	111.4	I34 R38 N39 L40 Q288 E291 K295 A302 L334	I34-Y36 PolarHBondContact O-N 3.4Å; Y36-R38 VanDerWaalsContact C-N 3.34Å; Y36-R38 PolarHBondContact O-N 2.86Å; Y36-N39 CarbonylContact O-C 3.54Å; Y36-N39 PolarHBondContact O-N 2.82Å; Y36-N39 VanDerWaalsContact O-N 3.1Å; Y36-L40 PolarHBondContact O-N 3.27Å; Y36-Q288 VanDerWaalsContact CD1-O 3.25Å; Y36-Q288 WeakPolarHBondContact CD1-O 3.47Å; Y36-Q288 HydrophobicContact CE1-CB 4.38Å; Y36-E291 HydrophobicContact CD1-CB 3.93Å; Y36-E291 HydrophobicContact CD2-CB 3.65Å; Y36-E291 HydrophobicContact CD2-CG 4.05Å; Y36-E291 HydrophobicContact CE1-CB 3.91Å; Y36-E291 HydrophobicContact CE1-CG 4.28Å; Y36-E291 HydrophobicContact CE2-CB 3.58Å; Y36-E291 HydrophobicContact CE2-CG 3.5Å; Y36-E291 VanDerWaalsContact CE2-CG 3.5Å; Y36-E291 WeakPolarHBondContact CE2-OE1 3.45Å; Y36-E291 HydrophobicContact CG-CB 3.82Å; Y36-K295 PolarHBondContact OH-NZ 2.99Å; Y36-K295 VanDerWaalsContact OH-NZ 3.13Å; Y36-A302 HydrophobicContact CD2-CB 3.93Å; Y36-A302 HydrophobicContact CE2-CB 4.06Å; Y36-L334 VanDerWaalsContact CB-CD2 3.46Å
37	L	97.8	Very high	94.6	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-54.8	-46.7	172.4	175.2	61.9	0	0	0	112.5	I34 N39 L40 N41 I210 L234 L334 E338 V341 A342	I34-L37 HydrophobicContact CB-CB 4.33Å; I34-L37 HydrophobicContact CB-CD2 4.38Å; I34-L37 HydrophobicContact CG2-CD2 4.39Å; I34-L37 PolarHBondContact O-N 3.28Å; L37-N39 VanDerWaalsContact C-N 3.28Å; L37-N39 PolarHBondContact O-N 2.96Å; L37-L40 PolarHBondContact O-N 2.85Å; L37-N41 VanDerWaalsContact O-CG 3.25Å; L37-N41 PolarHBondContact O-N 2.85Å; L37-N41 PolarHBondContact O-OD1 2.98Å; L37-I210 HydrophobicContact CD2-CD1 4.15Å; L37-L234 HydrophobicContact CD2-CD1 4.25Å; L37-L334 HydrophobicContact CD1-CD1 4.43Å; L37-E338 HydrophobicContact CB-CB 4.18Å; L37-E338 HydrophobicContact CB-CG 3.89Å; L37-E338 HydrophobicContact CD2-CG 4.47Å; L37-E338 PolarHBondContact N-OE1 2.86Å; L37-E338 VanDerWaalsContact N-OE1 3.08Å; L37-V341 HydrophobicContact CD2-CB 3.99Å; L37-V341 HydrophobicContact CD2-CG1 3.76Å; L37-A342 HydrophobicContact CD1-CB 3.86Å
38	R	96.1	Very high	95.3	Very high	72 Å²	72	31.4 Å²	31.4	27%	0.272	15%	0.15	S	C	.	.	H	α-helix	trans	-64.7	-33.7	178.1	-72.4	-176.6	71	146.2	8.3	112.5	I34 F35 Y36 N42	I34-R38 HydrophobicContact CD1-CG 3.86Å; I34-R38 HydrophobicContact CG1-CG 4.04Å; I34-R38 WeakPolarHBondContact O-CB 3.38Å; I34-R38 VanDerWaalsContact O-CG 3.26Å; I34-R38 WeakPolarHBondContact O-CG 3.44Å; I34-R38 PolarHBondContact O-N 3.28Å; F35-R38 PolarHBondContact O-N 2.84Å; Y36-R38 VanDerWaalsContact C-N 3.34Å; Y36-R38 PolarHBondContact O-N 2.86Å; R38-N42 WeakPolarHBondContact O-CB 3.25Å; R38-N42 PolarHBondContact O-N 2.91Å
39	N	97.6	Very high	95.8	Very high	14 Å²	14	26.9 Å²	26.9	8%	0.075	13%	0.129	C	C	.	.	H	α-helix	trans	-72.9	-37.6	175.7	-68.8	-14.7	0	0	0	111.5	F35 Y36 L37 N42 W43 M287 Q288 A289	F35-N39 VanDerWaalsContact CE1-ND2 3.32Å; F35-N39 WeakPolarHBondContact CE1-ND2 3.27Å; F35-N39 WeakPolarHBondContact CE2-ND2 3.48Å; F35-N39 WeakPolarHBondContact CZ-ND2 3.38Å; F35-N39 VanDerWaalsContact O-CG 3.23Å; F35-N39 PolarHBondContact O-N 3.2Å; F35-N39 PolarHBondContact O-ND2 3.27Å; Y36-N39 CarbonylContact O-C 3.54Å; Y36-N39 PolarHBondContact O-N 2.82Å; Y36-N39 VanDerWaalsContact O-N 3.1Å; L37-N39 VanDerWaalsContact C-N 3.28Å; L37-N39 PolarHBondContact O-N 2.96Å; N39-N42 PolarHBondContact O-N 3.41Å; N39-W43 WeakPolarHBondContact O-CB 3.4Å; N39-W43 PolarHBondContact O-N 2.98Å; N39-M287 WeakPolarHBondContact CB-O 3.2Å; N39-M287 PolarHBondContact ND2-O 3.28Å; N39-Q288 WeakPolarHBondContact CB-O 3.46Å; N39-Q288 PolarHBondContact ND2-O 2.67Å; N39-Q288 VanDerWaalsContact ND2-O 3.09Å; N39-A289 HydrophobicContact CB-CB 4.29Å
40	L	98.2	Very high	96.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-61.3	-48.7	171	-176.5	64.5	0	0	0	111.2	Y36 L37 N42 W43 I44 I271 A289 L334 W339 A342	Y36-L40 PolarHBondContact O-N 3.27Å; L37-L40 PolarHBondContact O-N 2.85Å; L40-N42 VanDerWaalsContact C-N 3.25Å; L40-N42 PolarHBondContact O-N 3.17Å; L40-W43 HydrophobicContact CD1-CE3 4.13Å; L40-W43 WeakPolarHBondContact O-CA 3.18Å; L40-W43 WeakPolarHBondContact O-CB 3.31Å; L40-W43 PolarHBondContact O-N 3.44Å; L40-I44 HydrophobicContact CD1-CD1 4.44Å; L40-I44 HydrophobicContact CD1-CG1 4.45Å; L40-I44 HydrophobicContact CG-CD1 4.16Å; L40-I44 WeakPolarHBondContact O-CG1 3.4Å; L40-I44 PolarHBondContact O-N 2.8Å; L40-I271 HydrophobicContact CD1-CD1 4.05Å; L40-I271 HydrophobicContact CD1-CG1 4.27Å; L40-I271 HydrophobicContact CD2-CD1 4.32Å; L40-A289 HydrophobicContact CB-CB 4.48Å; L40-L334 HydrophobicContact CD2-CD1 3.58Å; L40-W339 HydrophobicContact CD2-CZ3 4.5Å; L40-A342 HydrophobicContact CD2-CB 4.27Å
41	N	97.9	Very high	96.8	Very high	19 Å²	19	24.4 Å²	24.4	10%	0.102	11%	0.114	C	C	.	.	H	α-helix	trans	-55.8	-44.3	175.7	-68	0	0	0	0	110.7	L37 I44 K45 F155 F267	L37-N41 VanDerWaalsContact O-CG 3.25Å; L37-N41 PolarHBondContact O-N 2.85Å; L37-N41 PolarHBondContact O-OD1 2.98Å; N41-I44 PolarHBondContact O-N 3.18Å; N41-K45 WeakPolarHBondContact O-CG 3.25Å; N41-K45 PolarHBondContact O-N 2.92Å; N41-F155 HydrophobicContact CB-CE2 4.17Å; N41-F155 HydrophobicContact CB-CZ 3.84Å; N41-F267 WeakPolarHBondContact OD1-CE2 3.3Å
42	N	97.4	Very high	97.2	Very high	23 Å²	23	17.3 Å²	17.3	12%	0.123	8%	0.081	C	C	.	.	H	α-helix	trans	-65.8	-36.6	175.9	-88.7	-32.8	0	0	0	113.1	R29 R38 N39 L40 K45 S46 K80 M287	R29-N42 PolarHBondContact NH2-ND2 3.36Å; R38-N42 WeakPolarHBondContact O-CB 3.25Å; R38-N42 PolarHBondContact O-N 2.91Å; N39-N42 PolarHBondContact O-N 3.41Å; L40-N42 VanDerWaalsContact C-N 3.25Å; L40-N42 PolarHBondContact O-N 3.17Å; N42-K45 WeakPolarHBondContact OD1-CE 3.5Å; N42-S46 PolarHBondContact O-N 2.97Å; N42-S46 PolarHBondContact O-OG 3.01Å; N42-K80 WeakPolarHBondContact O-CE 3.47Å; N42-K80 PolarHBondContact OD1-NZ 3.23Å; N42-M287 HydrophobicContact CB-CE 3.44Å; N42-M287 VanDerWaalsContact CB-CE 3.44Å
43	W	98.2	Very high	97.4	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-66.2	-45.1	176.1	177.8	85.1	0	0	0	111.2	N39 L40 K45 S46 M47 V270 I271 F274 A275 G280 M284 M287 A289	N39-W43 WeakPolarHBondContact O-CB 3.4Å; N39-W43 PolarHBondContact O-N 2.98Å; L40-W43 HydrophobicContact CD1-CE3 4.13Å; L40-W43 WeakPolarHBondContact O-CA 3.18Å; L40-W43 WeakPolarHBondContact O-CB 3.31Å; L40-W43 PolarHBondContact O-N 3.44Å; W43-K45 VanDerWaalsContact C-N 3.33Å; W43-K45 PolarHBondContact O-N 2.87Å; W43-S46 WeakPolarHBondContact O-CA 3.27Å; W43-S46 WeakPolarHBondContact O-CB 3.28Å; W43-S46 PolarHBondContact O-N 3.09Å; W43-S46 VanDerWaalsContact O-N 3.07Å; W43-M47 HydrophobicContact CD2-CG 3.91Å; W43-M47 VanDerWaalsContact CE2-CG 3.49Å; W43-M47 HydrophobicContact CE3-CG 4.23Å; W43-M47 HydrophobicContact CH2-CG 3.82Å; W43-M47 HydrophobicContact CZ2-CG 3.46Å; W43-M47 VanDerWaalsContact CZ2-CG 3.46Å; W43-M47 HydrophobicContact CZ2-SD 3.82Å; W43-M47 HydrophobicContact CZ3-CG 4.19Å; W43-M47 WeakPolarHBondContact O-CG 3.31Å; W43-M47 PolarHBondContact O-N 2.75Å; W43-V270 HydrophobicContact CZ3-CG1 4.27Å; W43-I271 HydrophobicContact CZ3-CB 4.45Å; W43-I271 HydrophobicContact CZ3-CG1 3.86Å; W43-F274 HydrophobicContact CH2-CB 3.91Å; W43-F274 HydrophobicContact CZ2-CB 4.21Å; W43-A275 HydrophobicContact CH2-CB 4.18Å; W43-A275 HydrophobicContact CZ2-CB 4.26Å; W43-G280 PolarHBondContact NE1-O 3.21Å; W43-M284 VanDerWaalsContact CD1-CA 3.41Å; W43-M284 HydrophobicContact CD2-CB 4.45Å; W43-M284 HydrophobicContact CD2-CE 3.71Å; W43-M284 HydrophobicContact CD2-CG 4.45Å; W43-M284 VanDerWaalsContact CE2-CE 3.47Å; W43-M284 HydrophobicContact CE3-CE 3.74Å; W43-M284 HydrophobicContact CG-CB 4.32Å; W43-M284 HydrophobicContact CG-CG 4.43Å; W43-M284 HydrophobicContact CH2-CE 3.4Å; W43-M284 VanDerWaalsContact CH2-CE 3.4Å; W43-M284 HydrophobicContact CZ2-CE 3.33Å; W43-M284 HydrophobicContact CZ3-CE 3.61Å; W43-M287 HydrophobicContact CB-CE 4.31Å; W43-M287 HydrophobicContact CB-SD 4.16Å; W43-A289 HydrophobicContact CB-CB 4Å; W43-A289 HydrophobicContact CG-CB 4.45Å
44	I	98.6	Very high	97.5	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-57.8	-46.3	175.5	-72.3	-179.7	0	0	0	111	L40 N41 S46 M47 T48 F267 V270 T347	L40-I44 HydrophobicContact CD1-CD1 4.44Å; L40-I44 HydrophobicContact CD1-CG1 4.45Å; L40-I44 HydrophobicContact CG-CD1 4.16Å; L40-I44 WeakPolarHBondContact O-CG1 3.4Å; L40-I44 PolarHBondContact O-N 2.8Å; N41-I44 PolarHBondContact O-N 3.18Å; I44-S46 VanDerWaalsContact C-N 3.35Å; I44-S46 PolarHBondContact O-N 2.77Å; I44-M47 PolarHBondContact O-N 2.94Å; I44-T48 WeakPolarHBondContact O-CB 3.42Å; I44-T48 PolarHBondContact O-N 3.38Å; I44-T48 PolarHBondContact O-OG1 3.42Å; I44-F267 HydrophobicContact CD1-CB 3.63Å; I44-F267 HydrophobicContact CD1-CD1 3.5Å; I44-F267 HydrophobicContact CD1-CD2 3.26Å; I44-F267 HydrophobicContact CD1-CE1 3.84Å; I44-F267 HydrophobicContact CD1-CE2 3.65Å; I44-F267 HydrophobicContact CD1-CG 3.18Å; I44-F267 HydrophobicContact CD1-CZ 3.91Å; I44-F267 HydrophobicContact CG2-CD1 4.3Å; I44-F267 HydrophobicContact CG2-CE1 3.91Å; I44-F267 HydrophobicContact CG2-CZ 4.28Å; I44-V270 HydrophobicContact CB-CG1 4.36Å; I44-V270 HydrophobicContact CG1-CG1 3.99Å; I44-V270 HydrophobicContact CG2-CG1 4.09Å; I44-T347 WeakPolarHBondContact CG2-OG1 3.4Å
45	K	98.4	Very high	97.5	Very high	23 Å²	23	20.5 Å²	20.5	10%	0.1	10%	0.096	C	C	.	.	H	α-helix	trans	-58	-46.3	173.2	-72.6	-166.9	-60.4	168.8	0	111.8	N41 N42 W43 M47 T48 I49 D77 K80 Q154 F155	N41-K45 WeakPolarHBondContact O-CG 3.25Å; N41-K45 PolarHBondContact O-N 2.92Å; N42-K45 WeakPolarHBondContact OD1-CE 3.5Å; W43-K45 VanDerWaalsContact C-N 3.33Å; W43-K45 PolarHBondContact O-N 2.87Å; K45-M47 PolarHBondContact O-N 3.48Å; K45-T48 PolarHBondContact O-N 2.88Å; K45-I49 VanDerWaalsContact O-CB 3.32Å; K45-I49 WeakPolarHBondContact O-CB 3.3Å; K45-I49 VanDerWaalsContact O-CG1 3.29Å; K45-I49 WeakPolarHBondContact O-CG1 3.23Å; K45-I49 PolarHBondContact O-N 3.03Å; K45-D77 VanDerWaalsContact CE-OD1 3.22Å; K45-D77 WeakPolarHBondContact CE-OD1 3.07Å; K45-D77 IonicContact NZ-OD1 3.29Å; K45-D77 PolarHBondContact NZ-OD1 2.68Å; K45-D77 IonicContact NZ-OD2 2.82Å; K45-D77 PolarHBondContact NZ-OD2 3.46Å; K45-K80 HydrophobicContact CB-CD 4.06Å; K45-Q154 HydrophobicContact CD-CB 3.63Å; K45-Q154 HydrophobicContact CD-CG 3.76Å; K45-Q154 HydrophobicContact CG-CB 4.38Å; K45-Q154 HydrophobicContact CG-CG 4.18Å; K45-F155 HydrophobicContact CD-CD2 4.26Å; K45-F155 HydrophobicContact CD-CE2 4.02Å; K45-F155 HydrophobicContact CG-CE2 4.2Å
46	S	98.1	Very high	97.5	Very high	19 Å²	19	20 Å²	20	13%	0.133	9%	0.094	C	C	.	.	H	α-helix	trans	-59.3	-45.2	178	-62.4	0	0	0	0	112.5	N42 W43 I44 Q50 K80	N42-S46 PolarHBondContact O-N 2.97Å; N42-S46 PolarHBondContact O-OG 3.01Å; W43-S46 WeakPolarHBondContact O-CA 3.27Å; W43-S46 WeakPolarHBondContact O-CB 3.28Å; W43-S46 PolarHBondContact O-N 3.09Å; W43-S46 VanDerWaalsContact O-N 3.07Å; I44-S46 VanDerWaalsContact C-N 3.35Å; I44-S46 PolarHBondContact O-N 2.77Å; S46-Q50 VanDerWaalsContact O-CB 3.25Å; S46-Q50 WeakPolarHBondContact O-CB 3.25Å; S46-Q50 PolarHBondContact O-N 3.1Å; S46-K80 WeakPolarHBondContact OG-CE 3.44Å
47	M	97.9	Very high	97.4	Very high	23 Å²	23	22.8 Å²	22.8	11%	0.113	11%	0.105	C	C	.	.	H	α-helix	trans	-66.2	-41.9	179.9	-62.7	-59.6	81.9	0	0	112	W43 I44 K45 Q50 D51 F274 G280 L283	W43-M47 HydrophobicContact CD2-CG 3.91Å; W43-M47 VanDerWaalsContact CE2-CG 3.49Å; W43-M47 HydrophobicContact CE3-CG 4.23Å; W43-M47 HydrophobicContact CH2-CG 3.82Å; W43-M47 HydrophobicContact CZ2-CG 3.46Å; W43-M47 VanDerWaalsContact CZ2-CG 3.46Å; W43-M47 HydrophobicContact CZ2-SD 3.82Å; W43-M47 HydrophobicContact CZ3-CG 4.19Å; W43-M47 WeakPolarHBondContact O-CG 3.31Å; W43-M47 PolarHBondContact O-N 2.75Å; I44-M47 PolarHBondContact O-N 2.94Å; K45-M47 PolarHBondContact O-N 3.48Å; M47-Q50 PolarHBondContact O-N 3.39Å; M47-D51 PolarHBondContact O-N 3.24Å; M47-F274 HydrophobicContact CB-CB 3.87Å; M47-F274 HydrophobicContact CB-CD1 4.42Å; M47-F274 HydrophobicContact CB-CD2 3.8Å; M47-F274 HydrophobicContact CB-CE2 4.38Å; M47-F274 HydrophobicContact CB-CG 3.8Å; M47-F274 HydrophobicContact CG-CB 3.75Å; M47-F274 HydrophobicContact CG-CG 4.26Å; M47-F274 HydrophobicContact SD-CB 4.02Å; M47-G280 WeakPolarHBondContact SD-CA 3.47Å; M47-L283 HydrophobicContact CE-CD2 3.45Å; M47-L283 VanDerWaalsContact CE-CD2 3.45Å
48	T	98.5	Very high	97.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-65.2	-46.4	179	-56	0	0	0	0	111.8	I44 K45 Q50 D51 A52 I185 T347	I44-T48 WeakPolarHBondContact O-CB 3.42Å; I44-T48 PolarHBondContact O-N 3.38Å; I44-T48 PolarHBondContact O-OG1 3.42Å; K45-T48 PolarHBondContact O-N 2.88Å; T48-Q50 VanDerWaalsContact C-N 3.34Å; T48-D51 PolarHBondContact O-N 3.04Å; T48-A52 PolarHBondContact O-N 3.35Å; T48-I185 HydrophobicContact CG2-CB 3.97Å; T48-I185 HydrophobicContact CG2-CD1 4.04Å; T48-I185 HydrophobicContact CG2-CG2 4.13Å; T48-T347 HydrophobicContact CG2-CG2 3.52Å; T48-T347 WeakPolarHBondContact OG1-CG2 3.2Å
49	I	98.6	Very high	96.8	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.01	15%	0.145	C	C	.	.	H	α-helix	trans	-61.4	-45	175.8	-74.8	167	0	0	0	110.5	K45 A52 I53 K80 W81 I185	K45-I49 VanDerWaalsContact O-CB 3.32Å; K45-I49 WeakPolarHBondContact O-CB 3.3Å; K45-I49 VanDerWaalsContact O-CG1 3.29Å; K45-I49 WeakPolarHBondContact O-CG1 3.23Å; K45-I49 PolarHBondContact O-N 3.03Å; I49-A52 PolarHBondContact O-N 3.3Å; I49-I53 HydrophobicContact CG2-CD1 3.75Å; I49-I53 WeakPolarHBondContact O-CG1 3.34Å; I49-I53 PolarHBondContact O-N 3.46Å; I49-K80 HydrophobicContact CD1-CB 3.96Å; I49-K80 HydrophobicContact CD1-CD 3.7Å; I49-K80 HydrophobicContact CD1-CG 4.48Å; I49-K80 HydrophobicContact CG2-CB 4.42Å; I49-W81 HydrophobicContact CB-CH2 4.49Å; I49-W81 HydrophobicContact CB-CZ3 4.14Å; I49-W81 HydrophobicContact CD1-CE3 4.43Å; I49-W81 HydrophobicContact CD1-CH2 3.43Å; I49-W81 VanDerWaalsContact CD1-CH2 3.43Å; I49-W81 HydrophobicContact CD1-CZ2 3.86Å; I49-W81 HydrophobicContact CD1-CZ3 3.77Å; I49-W81 HydrophobicContact CG1-CH2 3.57Å; I49-W81 HydrophobicContact CG1-CZ2 4.47Å; I49-W81 HydrophobicContact CG1-CZ3 3.7Å; I49-W81 HydrophobicContact CG2-CE3 3.79Å; I49-W81 HydrophobicContact CG2-CH2 4.15Å; I49-W81 HydrophobicContact CG2-CZ3 3.36Å; I49-I185 HydrophobicContact CB-CD1 4.42Å; I49-I185 HydrophobicContact CG1-CD1 3.66Å
50	Q	96.7	Very high	95.8	Very high	58 Å²	58	33 Å²	33	27%	0.271	16%	0.156	S	C	.	.	H	α-helix	trans	-66.1	-39.8	179.9	-169.1	63.8	52.8	0	0	111.9	S46 M47 T48 I53 N54	S46-Q50 VanDerWaalsContact O-CB 3.25Å; S46-Q50 WeakPolarHBondContact O-CB 3.25Å; S46-Q50 PolarHBondContact O-N 3.1Å; M47-Q50 PolarHBondContact O-N 3.39Å; T48-Q50 VanDerWaalsContact C-N 3.34Å; Q50-I53 PolarHBondContact O-N 2.79Å; Q50-N54 PolarHBondContact NE2-OD1 3.39Å; Q50-N54 VanDerWaalsContact O-CB 3.23Å; Q50-N54 WeakPolarHBondContact O-CB 3.33Å; Q50-N54 PolarHBondContact O-N 3.25Å; Q50-N54 PolarHBondContact O-ND2 3.36Å; Q50-N54 PolarHBondContact O-OD1 3.34Å
51	D	97.6	Very high	94.3	Very high	17 Å²	17	41.7 Å²	41.7	9%	0.091	20%	0.202	C	C	.	.	H	α-helix	trans	-61.9	-45.9	175	-171.1	42.2	0	0	0	110.9	M47 T48 I53 N54 R55 R58 F274 M349	M47-D51 PolarHBondContact O-N 3.24Å; T48-D51 PolarHBondContact O-N 3.04Å; D51-I53 PolarHBondContact O-N 2.85Å; D51-N54 PolarHBondContact O-N 3.48Å; D51-R55 VanDerWaalsContact O-CG 3.25Å; D51-R55 WeakPolarHBondContact O-CG 3.39Å; D51-R55 PolarHBondContact O-N 2.8Å; D51-R55 IonicContact OD1-NE 2.7Å; D51-R55 PolarHBondContact OD1-NE 3.21Å; D51-R55 IonicContact OD1-NH2 3.64Å; D51-R55 IonicContact OD2-CZ 3.21Å; D51-R55 IonicContact OD2-NE 3.71Å; D51-R55 PolarHBondContact OD2-NE 3.24Å; D51-R55 IonicContact OD2-NH2 3.99Å; D51-R55 PolarHBondContact OD2-NH2 3.22Å; D51-R58 IonicContact OD1-NH2 2.81Å; D51-F274 HydrophobicContact CB-CE1 3.89Å; D51-F274 HydrophobicContact CB-CZ 3.87Å; D51-M349 HydrophobicContact CB-CE 4.25Å
52	A	98.1	Very high	93.2	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-58.4	-49.8	177.2	0	0	0	0	0	111.9	T48 I49 N54 R55 I56 L150 I185 M349	T48-A52 PolarHBondContact O-N 3.35Å; I49-A52 PolarHBondContact O-N 3.3Å; A52-N54 VanDerWaalsContact C-N 3.34Å; A52-N54 PolarHBondContact O-N 3.02Å; A52-R55 WeakPolarHBondContact O-CB 3.42Å; A52-R55 PolarHBondContact O-N 2.8Å; A52-R55 VanDerWaalsContact O-N 3.17Å; A52-I56 WeakPolarHBondContact O-CG1 3.39Å; A52-I56 PolarHBondContact O-N 3.23Å; A52-L150 HydrophobicContact CB-CD1 3.7Å; A52-L150 HydrophobicContact CB-CD2 4.17Å; A52-I185 HydrophobicContact CB-CD1 4.29Å; A52-I185 HydrophobicContact CB-CG2 4.05Å; A52-M349 HydrophobicContact CB-CE 3.76Å
53	I	97.1	Very high	92.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.1	-41.6	178.9	-71.3	172.3	0	0	0	111.2	I49 Q50 D51 R55 I56 R57 I65 I86 L150	I49-I53 HydrophobicContact CG2-CD1 3.75Å; I49-I53 WeakPolarHBondContact O-CG1 3.34Å; I49-I53 PolarHBondContact O-N 3.46Å; Q50-I53 PolarHBondContact O-N 2.79Å; D51-I53 PolarHBondContact O-N 2.85Å; I53-R55 VanDerWaalsContact C-N 3.27Å; I53-R55 PolarHBondContact O-N 2.94Å; I53-I56 PolarHBondContact O-N 2.97Å; I53-R57 WeakPolarHBondContact O-CG 3.45Å; I53-R57 PolarHBondContact O-N 3.23Å; I53-I65 HydrophobicContact CG2-CD1 3.77Å; I53-I86 HydrophobicContact CD1-CG2 3.85Å; I53-L150 HydrophobicContact CG1-CD2 4.06Å
54	N	95.2	Very high	92.2	Very high	62 Å²	62	53 Å²	53	33%	0.332	27%	0.27	S	S	.	.	H	α-helix	trans	-65.2	-32.5	177.3	-73.9	-9.9	0	0	0	111.9	Q50 D51 A52 R58	Q50-N54 PolarHBondContact NE2-OD1 3.39Å; Q50-N54 VanDerWaalsContact O-CB 3.23Å; Q50-N54 WeakPolarHBondContact O-CB 3.33Å; Q50-N54 PolarHBondContact O-N 3.25Å; Q50-N54 PolarHBondContact O-ND2 3.36Å; Q50-N54 PolarHBondContact O-OD1 3.34Å; D51-N54 PolarHBondContact O-N 3.48Å; A52-N54 VanDerWaalsContact C-N 3.34Å; A52-N54 PolarHBondContact O-N 3.02Å; N54-R58 WeakPolarHBondContact O-CB 3.35Å; N54-R58 VanDerWaalsContact O-CG 3.24Å; N54-R58 WeakPolarHBondContact O-CG 3.23Å; N54-R58 PolarHBondContact O-N 2.82Å; N54-R58 PolarHBondContact O-NE 2.81Å
55	R	96	Very high	92.1	Very high	48 Å²	48	53 Å²	53	18%	0.181	27%	0.27	C	S	.	.	H	α-helix	trans	-68.9	-49.1	173.7	-71.7	167.5	-179.2	-79.1	-4.5	111.3	D51 A52 I53 R57 R58 E59 Y183 M349	D51-R55 VanDerWaalsContact O-CG 3.25Å; D51-R55 WeakPolarHBondContact O-CG 3.39Å; D51-R55 PolarHBondContact O-N 2.8Å; D51-R55 IonicContact OD1-NE 2.7Å; D51-R55 PolarHBondContact OD1-NE 3.21Å; D51-R55 IonicContact OD1-NH2 3.64Å; D51-R55 IonicContact OD2-CZ 3.21Å; D51-R55 IonicContact OD2-NE 3.71Å; D51-R55 PolarHBondContact OD2-NE 3.24Å; D51-R55 IonicContact OD2-NH2 3.99Å; D51-R55 PolarHBondContact OD2-NH2 3.22Å; A52-R55 WeakPolarHBondContact O-CB 3.42Å; A52-R55 PolarHBondContact O-N 2.8Å; A52-R55 VanDerWaalsContact O-N 3.17Å; I53-R55 VanDerWaalsContact C-N 3.27Å; I53-R55 PolarHBondContact O-N 2.94Å; R55-R57 VanDerWaalsContact C-N 3.25Å; R55-R57 PolarHBondContact O-N 3.28Å; R55-R58 VanDerWaalsContact CG-NH2 3.34Å; R55-R58 PolarHBondContact O-N 3.12Å; R55-E59 WeakPolarHBondContact O-CB 3.48Å; R55-E59 WeakPolarHBondContact O-CG 3.45Å; R55-E59 PolarHBondContact O-N 2.87Å; R55-Y183 HydrophobicContact CB-CE1 4.33Å; R55-Y183 HydrophobicContact CB-CE2 3.7Å; R55-Y183 WeakPolarHBondContact CB-OH 3.31Å; R55-M349 VanDerWaalsContact CD-SD 3.57Å
56	I	96.8	Very high	92.1	Very high	14 Å²	14	52.3 Å²	52.3	7%	0.072	27%	0.268	C	S	.	.	H	α-helix	trans	-54	-43.9	177.1	-67.3	163	0	0	0	110.9	A52 I53 G60 I65 D149 L150 Y183	A52-I56 WeakPolarHBondContact O-CG1 3.39Å; A52-I56 PolarHBondContact O-N 3.23Å; I53-I56 PolarHBondContact O-N 2.97Å; I56-G60 WeakPolarHBondContact O-CA 3.38Å; I56-G60 PolarHBondContact O-N 2.94Å; I56-I65 HydrophobicContact CB-CD1 4.47Å; I56-I65 HydrophobicContact CD1-CG2 4.45Å; I56-I65 HydrophobicContact CG2-CD1 4.04Å; I56-I65 HydrophobicContact CG2-CG1 4.06Å; I56-D149 HydrophobicContact CD1-CB 4.11Å; I56-D149 VanDerWaalsContact CD1-O 3.27Å; I56-D149 WeakPolarHBondContact CD1-O 3.33Å; I56-D149 HydrophobicContact CG2-CB 4.06Å; I56-L150 HydrophobicContact CD1-CB 3.83Å; I56-Y183 HydrophobicContact CD1-CD2 4.15Å; I56-Y183 HydrophobicContact CG1-CD2 3.57Å; I56-Y183 HydrophobicContact CG1-CE2 3.94Å
57	R	94.9	Very high	92.2	Very high	84 Å²	84	51.4 Å²	51.4	32%	0.317	26%	0.262	S	S	.	.	H	α-helix	trans	-71.6	-27.6	178.3	-72.5	-178.9	170.2	137.9	7.2	115.1	I53 R55 G60 I65 G84 R85	I53-R57 WeakPolarHBondContact O-CG 3.45Å; I53-R57 PolarHBondContact O-N 3.23Å; R55-R57 VanDerWaalsContact C-N 3.25Å; R55-R57 PolarHBondContact O-N 3.28Å; R57-G60 CarbonylContact C-O 3.56Å; R57-G60 VanDerWaalsContact O-O 3.06Å; R57-I65 HydrophobicContact CG-CD1 4Å; R57-G84 VanDerWaalsContact CZ-O 3.25Å; R57-G84 PolarHBondContact NH1-O 2.79Å; R57-G84 VanDerWaalsContact NH1-O 3.09Å; R57-G84 PolarHBondContact NH2-O 2.84Å; R57-R85 PolarHBondContact NH2-O 2.91Å
58	R	92.4	Very high	92.2	Very high	165 Å²	165	50.3 Å²	50.3	62%	0.623	26%	0.256	S	S	*	.	H	α-helix	trans	-78.4	-36.4	177.8	-81.1	179.2	-73.4	162.1	-9.2	111.2	D51 N54 R55	D51-R58 IonicContact OD1-NH2 2.81Å; N54-R58 WeakPolarHBondContact O-CB 3.35Å; N54-R58 VanDerWaalsContact O-CG 3.24Å; N54-R58 WeakPolarHBondContact O-CG 3.23Å; N54-R58 PolarHBondContact O-N 2.82Å; N54-R58 PolarHBondContact O-NE 2.81Å; R55-R58 VanDerWaalsContact CG-NH2 3.34Å; R55-R58 PolarHBondContact O-N 3.12Å
59	E	88.2	Confident	92.2	Very high	108 Å²	108	50.5 Å²	50.5	51%	0.505	26%	0.257	S	S	.	.	H	α-helix	trans	-91	-31.1	-175.6	-66.1	173.1	177.1	0	0	112.2	R55 Y183 Q351	R55-E59 WeakPolarHBondContact O-CB 3.48Å; R55-E59 WeakPolarHBondContact O-CG 3.45Å; R55-E59 PolarHBondContact O-N 2.87Å; E59-Y183 PolarHBondContact OE1-OH 2.8Å; E59-Y183 PolarHBondContact OE2-OH 2.83Å; E59-Q351 PolarHBondContact OE2-NE2 3Å
60	G	77.9	Confident	92.2	Very high	29 Å²	29	50.4 Å²	50.4	30%	0.299	26%	0.257	S	S	.	.			trans	-110	144.9	178.2	0	0	0	0	0	112.6	I56 R57 S62	I56-G60 WeakPolarHBondContact O-CA 3.38Å; I56-G60 PolarHBondContact O-N 2.94Å; R57-G60 CarbonylContact C-O 3.56Å; R57-G60 VanDerWaalsContact O-O 3.06Å; G60-S62 PolarHBondContact O-N 2.97Å
61	N	65.4	Low	92.3	Very high	182 Å²	182	48.8 Å²	48.8	97%	0.973	25%	0.251	S	S	*	.			trans	-83.8	14.1	173.9	-71.3	-28.9	0	0	0	113.3
62	S	74.7	Confident	92.3	Very high	58 Å²	58	48.5 Å²	48.5	41%	0.406	25%	0.251	S	S	.	.			trans	-94.4	123	-179.4	-172.6	0	0	0	0	111.9	G60 F64	G60-S62 PolarHBondContact O-N 2.97Å; S62-F64 VanDerWaalsContact C-N 3.28Å; S62-F64 PolarHBondContact OG-N 3.29Å; S62-F64 VanDerWaalsContact OG-N 3.12Å; S62-F64 PolarHBondContact OG-O 2.89Å
63	S	82.3	Confident	92.1	Very high	106 Å²	106	49.3 Å²	49.3	74%	0.741	26%	0.259	S	S	*	.	S	Bend	trans	-75	-21.4	166.3	57.6	0	0	0	0	112.4
64	F	93.4	Very high	92.1	Very high	115 Å²	115	51 Å²	51	50%	0.504	27%	0.267	S	S	.	.			trans	-92.4	107.7	179.9	-168	-87.3	0	0	0	110.1	S62 G87	S62-F64 VanDerWaalsContact C-N 3.28Å; S62-F64 PolarHBondContact OG-N 3.29Å; S62-F64 VanDerWaalsContact OG-N 3.12Å; S62-F64 PolarHBondContact OG-O 2.89Å; F64-G87 VanDerWaalsContact CE2-CA 3.47Å
65	I	97.2	Very high	92.1	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.253	C	S	.	.			trans	-105.6	124.5	179.7	-61.1	177.4	0	0	0	108.7	I53 I56 R57 V67 I86 G87 Y88 D149	I53-I65 HydrophobicContact CG2-CD1 3.77Å; I56-I65 HydrophobicContact CB-CD1 4.47Å; I56-I65 HydrophobicContact CD1-CG2 4.45Å; I56-I65 HydrophobicContact CG2-CD1 4.04Å; I56-I65 HydrophobicContact CG2-CG1 4.06Å; R57-I65 HydrophobicContact CG-CD1 4Å; I65-V67 HydrophobicContact CG2-CG2 3.93Å; I65-I86 HydrophobicContact CB-CB 4.28Å; I65-I86 HydrophobicContact CB-CG2 4.27Å; I65-I86 HydrophobicContact CG2-CB 4.49Å; I65-I86 HydrophobicContact CG2-CG2 4.14Å; I65-G87 PolarHBondContact O-N 3.41Å; I65-Y88 PolarHBondContact O-N 3.09Å; I65-D149 HydrophobicContact CG2-CB 4.05Å
66	C	98.3	Very high	92	Very high	9 Å²	9	48 Å²	48	6%	0.061	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	127.4	173.3	-171.8	0	0	0	0	109.9	Q147 F148 D149 L150	C66-Q147 VanDerWaalsContact CB-O 3.3Å; C66-Q147 WeakPolarHBondContact CB-O 3.43Å; C66-Q147 PolarHBondContact SG-O 2.79Å; C66-F148 HydrophobicContact CB-CD1 4.48Å; C66-F148 WeakPolarHBondContact SG-CD1 3.36Å; C66-D149 PolarHBondContact N-OD2 3.35Å; C66-D149 PolarHBondContact O-N 2.97Å; C66-L150 PolarHBondContact O-N 3.39Å
67	V	98.8	Very high	92.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	136.5	-175.3	-176.6	0	0	0	0	111.2	I65 W81 I86 Y88 L89 V90 L150	I65-V67 HydrophobicContact CG2-CG2 3.93Å; V67-W81 HydrophobicContact CG1-CD2 4.44Å; V67-W81 HydrophobicContact CG1-CE3 4.16Å; V67-W81 HydrophobicContact CG1-CH2 4Å; V67-W81 HydrophobicContact CG1-CZ2 4.25Å; V67-W81 HydrophobicContact CG1-CZ3 3.93Å; V67-I86 HydrophobicContact CB-CD1 3.92Å; V67-I86 HydrophobicContact CG2-CB 4.07Å; V67-I86 HydrophobicContact CG2-CD1 3.63Å; V67-I86 HydrophobicContact CG2-CG1 4.47Å; V67-I86 HydrophobicContact CG2-CG2 3.73Å; V67-Y88 PolarHBondContact N-O 3.3Å; V67-L89 HydrophobicContact CB-CD1 3.84Å; V67-L89 HydrophobicContact CG1-CD1 3.84Å; V67-L89 CarbonylContact O-C 3.52Å; V67-L89 WeakPolarHBondContact O-CA 3.3Å; V67-V90 PolarHBondContact O-N 3.48Å; V67-L150 CarbonylContact C-O 3.58Å; V67-L150 VanDerWaalsContact CA-O 3.27Å; V67-L150 WeakPolarHBondContact CA-O 3.2Å; V67-L150 HydrophobicContact CG1-CB 4.38Å; V67-L150 HydrophobicContact CG1-CD2 4.37Å; V67-L150 HydrophobicContact CG1-CG 4.3Å; V67-L150 HydrophobicContact CG2-CB 4.13Å; V67-L150 HydrophobicContact CG2-CD2 4.34Å
68	L	98.9	Very high	92.2	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	121.6	163.6	177.9	62.4	0	0	0	109.3	L70 V90 I137 F148 L150 C151 S152 N173	L68-L70 HydrophobicContact CD1-CD2 4.15Å; L68-L70 HydrophobicContact CD1-CG 4.49Å; L68-L70 HydrophobicContact CD2-CD1 4.29Å; L68-L70 HydrophobicContact CD2-CD2 3.89Å; L68-L70 HydrophobicContact CD2-CG 3.86Å; L68-L70 HydrophobicContact CG-CD2 4.05Å; L68-L70 HydrophobicContact CG-CG 3.91Å; L68-V90 HydrophobicContact CD1-CB 3.82Å; L68-V90 HydrophobicContact CD1-CG1 3.67Å; L68-I137 HydrophobicContact CD1-CD1 4.1Å; L68-I137 HydrophobicContact CD2-CD1 4.31Å; L68-F148 HydrophobicContact CB-CD1 3.68Å; L68-F148 HydrophobicContact CB-CD2 3.91Å; L68-F148 HydrophobicContact CB-CE1 3.77Å; L68-F148 HydrophobicContact CB-CE2 3.99Å; L68-F148 HydrophobicContact CB-CG 3.75Å; L68-F148 HydrophobicContact CB-CZ 3.92Å; L68-F148 HydrophobicContact CD1-CE2 4.47Å; L68-F148 HydrophobicContact CD1-CZ 4.13Å; L68-F148 HydrophobicContact CD2-CD2 4.19Å; L68-F148 HydrophobicContact CD2-CE2 3.98Å; L68-F148 HydrophobicContact CD2-CZ 4.44Å; L68-F148 HydrophobicContact CG-CE2 4.37Å; L68-F148 HydrophobicContact CG-CZ 4.38Å; L68-L150 PolarHBondContact N-O 2.78Å; L68-C151 HydrophobicContact CB-CB 4.42Å; L68-C151 CarbonylContact O-C 3.52Å; L68-C151 WeakPolarHBondContact O-CA 3.47Å; L68-S152 PolarHBondContact O-N 3.28Å; L68-N173 WeakPolarHBondContact CD2-O 3.43Å
69	D	98.9	Very high	92.4	Very high	3 Å²	3	41.3 Å²	41.3	2%	0.016	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	92.2	173.2	-161.5	6.7	0	0	0	108.4	C72 W81 L89 V90 A92	D69-C72 HydrophobicContact CB-CB 4.13Å; D69-W81 HydrophobicContact CB-CZ2 4.29Å; D69-W81 PolarHBondContact OD2-NE1 3.4Å; D69-L89 HydrophobicContact CB-CD1 4.03Å; D69-V90 PolarHBondContact N-O 3.42Å; D69-A92 PolarHBondContact O-N 2.88Å; D69-A92 VanDerWaalsContact O-N 3.11Å
70	L	98.5	Very high	92.8	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	132.3	179.3	-76.2	-180	0	0	0	110.7	L68 A92 C132 I137 S152 C153 L170 N173 A174	L68-L70 HydrophobicContact CD1-CD2 4.15Å; L68-L70 HydrophobicContact CD1-CG 4.49Å; L68-L70 HydrophobicContact CD2-CD1 4.29Å; L68-L70 HydrophobicContact CD2-CD2 3.89Å; L68-L70 HydrophobicContact CD2-CG 3.86Å; L68-L70 HydrophobicContact CG-CD2 4.05Å; L68-L70 HydrophobicContact CG-CG 3.91Å; L70-A92 HydrophobicContact CD2-CB 4.39Å; L70-C132 HydrophobicContact CD2-CB 4.4Å; L70-I137 HydrophobicContact CD2-CD1 3.52Å; L70-S152 PolarHBondContact N-O 3.13Å; L70-C153 HydrophobicContact CB-CB 4.07Å; L70-L170 HydrophobicContact CD1-CD1 4.41Å; L70-N173 HydrophobicContact CD2-CB 4.48Å; L70-A174 HydrophobicContact CD1-CB 3.63Å
71	C	97.5	Very high	93.8	Very high	23 Å²	23	35.8 Å²	35.8	16%	0.155	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	51	-173.9	-47.1	0	0	0	0	110.8	G73 A92 D93 S156	C71-G73 PolarHBondContact O-N 3.04Å; C71-G73 VanDerWaalsContact O-N 3.13Å; C71-A92 WeakPolarHBondContact CA-O 3.34Å; C71-A92 PolarHBondContact N-O 2.97Å; C71-D93 WeakPolarHBondContact CA-OD2 3.38Å; C71-S156 WeakPolarHBondContact CB-OG 3.1Å
72	C	98	Very high	95.2	Very high	12 Å²	12	30.9 Å²	30.9	8%	0.081	18%	0.184	C	C	.	.			trans	-65.8	-14.4	-171.4	66.9	0	0	0	0	114.1	D69 K74 G75 C91 A92 D93	D69-C72 HydrophobicContact CB-CB 4.13Å; C72-K74 PolarHBondContact O-N 3.47Å; C72-G75 PolarHBondContact O-N 3.36Å; C72-G75 VanDerWaalsContact O-N 3.15Å; C72-C91 HydrophobicContact CB-CB 4.09Å; C72-C91 VanDerWaalsContact SG-CB 3.59Å; C72-A92 PolarHBondContact N-O 2.83Å; C72-A92 VanDerWaalsContact N-O 3.12Å; C72-D93 PolarHBondContact N-OD2 3.02Å
73	G	94.9	Very high	96	Very high	17 Å²	17	32 Å²	32	18%	0.175	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	-133.6	-171	0	0	0	0	0	111.5	C71 G75 D93	C71-G73 PolarHBondContact O-N 3.04Å; C71-G73 VanDerWaalsContact O-N 3.13Å; G73-G75 PolarHBondContact O-N 3.4Å; G73-G75 VanDerWaalsContact O-N 3.07Å; G73-D93 VanDerWaalsContact CA-OD2 3.3Å; G73-D93 WeakPolarHBondContact CA-OD2 3.27Å; G73-D93 PolarHBondContact N-OD2 3.46Å
74	K	95.3	Very high	96.6	Very high	35 Å²	35	27 Å²	27	15%	0.152	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	24.7	-178	-60.9	167.4	176.7	170.1	0	113.4	Y18 L21 C72 G76 Q101 R105	Y18-K74 PolarHBondContact O-NZ 3.01Å; L21-K74 PolarHBondContact O-NZ 2.91Å; C72-K74 PolarHBondContact O-N 3.47Å; K74-G76 PolarHBondContact O-N 2.83Å; K74-Q101 HydrophobicContact CB-CB 4.4Å; K74-Q101 HydrophobicContact CG-CB 4.26Å; K74-R105 WeakPolarHBondContact O-CD 3.48Å; K74-R105 PolarHBondContact O-NE 2.79Å; K74-R105 PolarHBondContact O-NH1 3.21Å
75	G	95.9	Very high	96.6	Very high	4 Å²	4	29.6 Å²	29.6	4%	0.041	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	37	178.9	0	0	0	0	0	114.5	C72 G73 D77 L78 C102	C72-G75 PolarHBondContact O-N 3.36Å; C72-G75 VanDerWaalsContact O-N 3.15Å; G73-G75 PolarHBondContact O-N 3.4Å; G73-G75 VanDerWaalsContact O-N 3.07Å; G75-D77 PolarHBondContact O-N 3.47Å; G75-D77 VanDerWaalsContact O-N 3.11Å; G75-L78 WeakPolarHBondContact O-CD1 3.39Å; G75-L78 VanDerWaalsContact O-CG 3.29Å; G75-L78 WeakPolarHBondContact O-CG 3.39Å; G75-L78 PolarHBondContact O-N 2.82Å; G75-C102 WeakPolarHBondContact CA-SG 3.33Å
76	G	94.5	Very high	96.5	Very high	44 Å²	44	30.1 Å²	30.1	45%	0.454	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-13.8	-179.2	0	0	0	0	0	114.6	K74 K80	K74-G76 PolarHBondContact O-N 2.83Å; G76-K80 PolarHBondContact O-NZ 3.47Å
77	D	98.1	Very high	96.4	Very high	9 Å²	9	30.3 Å²	30.3	5%	0.048	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	0.1	-176.9	-65.2	-32.9	0	0	0	113.8	K45 G75 L79 K80 W81	K45-D77 VanDerWaalsContact CE-OD1 3.22Å; K45-D77 WeakPolarHBondContact CE-OD1 3.07Å; K45-D77 IonicContact NZ-OD1 3.29Å; K45-D77 PolarHBondContact NZ-OD1 2.68Å; K45-D77 IonicContact NZ-OD2 2.82Å; K45-D77 PolarHBondContact NZ-OD2 3.46Å; G75-D77 PolarHBondContact O-N 3.47Å; G75-D77 VanDerWaalsContact O-N 3.11Å; D77-L79 VanDerWaalsContact C-N 3.27Å; D77-L79 PolarHBondContact O-N 3.27Å; D77-L79 VanDerWaalsContact O-N 3.13Å; D77-K80 HydrophobicContact CB-CD 4.24Å; D77-K80 WeakPolarHBondContact O-CA 3.29Å; D77-K80 VanDerWaalsContact O-CB 3.23Å; D77-K80 WeakPolarHBondContact O-CB 3.26Å; D77-K80 PolarHBondContact O-N 3.02Å; D77-K80 WeakPolarHBondContact OD1-CD 3.41Å; D77-K80 VanDerWaalsContact OD1-CE 3.31Å; D77-K80 WeakPolarHBondContact OD1-CE 3.49Å; D77-K80 IonicContact OD1-NZ 3.86Å; D77-K80 PolarHBondContact OD1-NZ 2.91Å; D77-W81 HydrophobicContact CB-CZ2 4.3Å; D77-W81 PolarHBondContact O-N 3.2Å
78	L	98.1	Very high	96.4	Very high	4 Å²	4	31.8 Å²	31.8	2%	0.021	18%	0.175	C	C	.	.	H	α-helix	trans	-52.1	-39.8	178.1	-70.3	169.5	0	0	0	113.9	G75 K80 W81 K82 L89 R105 F106 L109 F123	G75-L78 WeakPolarHBondContact O-CD1 3.39Å; G75-L78 VanDerWaalsContact O-CG 3.29Å; G75-L78 WeakPolarHBondContact O-CG 3.39Å; G75-L78 PolarHBondContact O-N 2.82Å; L78-K80 VanDerWaalsContact C-N 3.29Å; L78-K80 PolarHBondContact O-N 3.28Å; L78-W81 PolarHBondContact O-N 3.3Å; L78-K82 PolarHBondContact O-N 3.02Å; L78-L89 HydrophobicContact CD2-CD2 3.77Å; L78-R105 HydrophobicContact CD1-CB 3.71Å; L78-F106 HydrophobicContact CD1-CB 4.21Å; L78-F106 HydrophobicContact CD2-CB 4.34Å; L78-F106 HydrophobicContact CD2-CD2 4.33Å; L78-L109 HydrophobicContact CB-CD1 3.64Å; L78-L109 HydrophobicContact CD1-CD1 4.26Å; L78-F123 HydrophobicContact CD2-CE2 4.47Å; L78-F123 HydrophobicContact CD2-CZ 4.28Å
79	L	95.4	Very high	96.4	Very high	109 Å²	109	31.8 Å²	31.8	57%	0.571	18%	0.175	S	C	*	.	H	α-helix	trans	-68.9	-27.7	176.3	-71.3	178.6	0	0	0	113.1	D77 S83 L109	D77-L79 VanDerWaalsContact C-N 3.27Å; D77-L79 PolarHBondContact O-N 3.27Å; D77-L79 VanDerWaalsContact O-N 3.13Å; L79-S83 WeakPolarHBondContact O-CB 3.37Å; L79-S83 PolarHBondContact O-N 3.14Å; L79-S83 PolarHBondContact O-OG 3.39Å; L79-L109 HydrophobicContact CD2-CD1 4.4Å; L79-L109 HydrophobicContact CD2-CD2 3.61Å
80	K	97	Very high	96.4	Very high	21 Å²	21	31.7 Å²	31.7	9%	0.091	17%	0.174	C	C	.	.	H	α-helix	trans	-72.3	-42.5	175.2	-54.2	-177	179.3	70.1	0	109.6	N42 K45 S46 I49 G76 D77 L78 S83 G84	N42-K80 WeakPolarHBondContact O-CE 3.47Å; N42-K80 PolarHBondContact OD1-NZ 3.23Å; K45-K80 HydrophobicContact CB-CD 4.06Å; S46-K80 WeakPolarHBondContact OG-CE 3.44Å; I49-K80 HydrophobicContact CD1-CB 3.96Å; I49-K80 HydrophobicContact CD1-CD 3.7Å; I49-K80 HydrophobicContact CD1-CG 4.48Å; I49-K80 HydrophobicContact CG2-CB 4.42Å; G76-K80 PolarHBondContact O-NZ 3.47Å; D77-K80 HydrophobicContact CB-CD 4.24Å; D77-K80 WeakPolarHBondContact O-CA 3.29Å; D77-K80 VanDerWaalsContact O-CB 3.23Å; D77-K80 WeakPolarHBondContact O-CB 3.26Å; D77-K80 PolarHBondContact O-N 3.02Å; D77-K80 WeakPolarHBondContact OD1-CD 3.41Å; D77-K80 VanDerWaalsContact OD1-CE 3.31Å; D77-K80 WeakPolarHBondContact OD1-CE 3.49Å; D77-K80 IonicContact OD1-NZ 3.86Å; D77-K80 PolarHBondContact OD1-NZ 2.91Å; L78-K80 VanDerWaalsContact C-N 3.29Å; L78-K80 PolarHBondContact O-N 3.28Å; K80-S83 PolarHBondContact O-N 3.37Å; K80-G84 PolarHBondContact O-N 2.99Å
81	W	97.9	Very high	96.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61.2	-43.2	172.7	-54.9	141.1	0	0	0	112.7	I49 V67 D69 D77 L78 G84 R85 I86 L89 F123 L150	I49-W81 HydrophobicContact CB-CH2 4.49Å; I49-W81 HydrophobicContact CB-CZ3 4.14Å; I49-W81 HydrophobicContact CD1-CE3 4.43Å; I49-W81 HydrophobicContact CD1-CH2 3.43Å; I49-W81 VanDerWaalsContact CD1-CH2 3.43Å; I49-W81 HydrophobicContact CD1-CZ2 3.86Å; I49-W81 HydrophobicContact CD1-CZ3 3.77Å; I49-W81 HydrophobicContact CG1-CH2 3.57Å; I49-W81 HydrophobicContact CG1-CZ2 4.47Å; I49-W81 HydrophobicContact CG1-CZ3 3.7Å; I49-W81 HydrophobicContact CG2-CE3 3.79Å; I49-W81 HydrophobicContact CG2-CH2 4.15Å; I49-W81 HydrophobicContact CG2-CZ3 3.36Å; V67-W81 HydrophobicContact CG1-CD2 4.44Å; V67-W81 HydrophobicContact CG1-CE3 4.16Å; V67-W81 HydrophobicContact CG1-CH2 4Å; V67-W81 HydrophobicContact CG1-CZ2 4.25Å; V67-W81 HydrophobicContact CG1-CZ3 3.93Å; D69-W81 HydrophobicContact CB-CZ2 4.29Å; D69-W81 PolarHBondContact OD2-NE1 3.4Å; D77-W81 HydrophobicContact CB-CZ2 4.3Å; D77-W81 PolarHBondContact O-N 3.2Å; L78-W81 PolarHBondContact O-N 3.3Å; W81-G84 PolarHBondContact O-N 3.34Å; W81-R85 PolarHBondContact O-N 2.86Å; W81-I86 HydrophobicContact CB-CD1 3.7Å; W81-I86 HydrophobicContact CB-CG1 4.24Å; W81-I86 HydrophobicContact CG-CD1 4.19Å; W81-L89 VanDerWaalsContact CD1-CD2 3.47Å; W81-L89 HydrophobicContact CD2-CD1 4.38Å; W81-L89 HydrophobicContact CG-CD1 4.14Å; W81-L89 HydrophobicContact CG-CD2 4.18Å; W81-F123 HydrophobicContact CB-CE1 3.86Å; W81-F123 HydrophobicContact CB-CZ 3.89Å; W81-L150 HydrophobicContact CH2-CD2 4.36Å; W81-L150 HydrophobicContact CZ3-CD2 3.83Å
82	K	95.2	Very high	96.5	Very high	78 Å²	78	30.5 Å²	30.5	34%	0.339	17%	0.167	S	C	.	.	H	α-helix	trans	-60.8	-47.9	173.2	-179.8	176.4	177.8	176.9	0	111.8	L78 G84 R85 L109 L122 F123	L78-K82 PolarHBondContact O-N 3.02Å; K82-G84 PolarHBondContact O-N 3.44Å; K82-R85 PolarHBondContact O-N 3.46Å; K82-L109 HydrophobicContact CD-CD2 4.25Å; K82-L122 HydrophobicContact CB-CD1 4.14Å; K82-L122 HydrophobicContact CD-CD1 3.96Å; K82-L122 HydrophobicContact CG-CD1 3.77Å; K82-F123 HydrophobicContact CB-CE1 4.13Å
83	S	92.7	Very high	96.5	Very high	83 Å²	83	30.6 Å²	30.6	58%	0.58	17%	0.166	S	C	*	.	H	α-helix	trans	-62	-36.9	178	-58.4	0	0	0	0	111.6	L79 K80 R85	L79-S83 WeakPolarHBondContact O-CB 3.37Å; L79-S83 PolarHBondContact O-N 3.14Å; L79-S83 PolarHBondContact O-OG 3.39Å; K80-S83 PolarHBondContact O-N 3.37Å; S83-R85 PolarHBondContact O-N 3.35Å
84	G	93.9	Very high	96.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-66.1	-14.9	174.2	0	0	0	0	0	114.3	R57 K80 W81 K82 I86	R57-G84 VanDerWaalsContact CZ-O 3.25Å; R57-G84 PolarHBondContact NH1-O 2.79Å; R57-G84 VanDerWaalsContact NH1-O 3.09Å; R57-G84 PolarHBondContact NH2-O 2.84Å; K80-G84 PolarHBondContact O-N 2.99Å; W81-G84 PolarHBondContact O-N 3.34Å; K82-G84 PolarHBondContact O-N 3.44Å; G84-I86 VanDerWaalsContact C-N 3.34Å; G84-I86 PolarHBondContact O-N 3.32Å
85	R	93.5	Very high	96.5	Very high	170 Å²	170	30.5 Å²	30.5	64%	0.642	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.9	50.3	-176.3	-54.9	178.8	-176.6	179.3	0.7	112.3	R57 W81 K82 S83	R57-R85 PolarHBondContact NH2-O 2.91Å; W81-R85 PolarHBondContact O-N 2.86Å; K82-R85 PolarHBondContact O-N 3.46Å; S83-R85 PolarHBondContact O-N 3.35Å
86	I	96.2	Very high	96.4	Very high	11 Å²	11	31.5 Å²	31.5	6%	0.056	17%	0.173	C	C	.	.			trans	-73.8	171.9	174	70	169.7	0	0	0	110.4	I53 I65 V67 W81 G84 L89 F123	I53-I86 HydrophobicContact CD1-CG2 3.85Å; I65-I86 HydrophobicContact CB-CB 4.28Å; I65-I86 HydrophobicContact CB-CG2 4.27Å; I65-I86 HydrophobicContact CG2-CB 4.49Å; I65-I86 HydrophobicContact CG2-CG2 4.14Å; V67-I86 HydrophobicContact CB-CD1 3.92Å; V67-I86 HydrophobicContact CG2-CB 4.07Å; V67-I86 HydrophobicContact CG2-CD1 3.63Å; V67-I86 HydrophobicContact CG2-CG1 4.47Å; V67-I86 HydrophobicContact CG2-CG2 3.73Å; W81-I86 HydrophobicContact CB-CD1 3.7Å; W81-I86 HydrophobicContact CB-CG1 4.24Å; W81-I86 HydrophobicContact CG-CD1 4.19Å; G84-I86 VanDerWaalsContact C-N 3.34Å; G84-I86 PolarHBondContact O-N 3.32Å; I86-L89 HydrophobicContact CD1-CB 3.99Å; I86-L89 HydrophobicContact CD1-CD1 4.11Å; I86-F123 HydrophobicContact CD1-CB 4.47Å; I86-F123 HydrophobicContact CD1-CD1 4.26Å; I86-F123 HydrophobicContact CD1-CD2 4.32Å; I86-F123 HydrophobicContact CD1-CG 4.1Å; I86-F123 HydrophobicContact CG1-CB 3.82Å; I86-F123 HydrophobicContact CG1-CD1 3.7Å; I86-F123 HydrophobicContact CG1-CD2 4.43Å; I86-F123 HydrophobicContact CG1-CE1 4.4Å; I86-F123 HydrophobicContact CG1-CG 3.73Å; I86-F123 WeakPolarHBondContact O-CB 3.27Å
87	G	95.8	Very high	96.4	Very high	12 Å²	12	32.9 Å²	32.9	12%	0.124	17%	0.173	C	C	.	.	S	Bend	trans	-105.8	-36.4	179.6	0	0	0	0	0	114.3	F64 I65 F123 K124	F64-G87 VanDerWaalsContact CE2-CA 3.47Å; I65-G87 PolarHBondContact O-N 3.41Å; G87-F123 WeakPolarHBondContact O-CA 3.26Å; G87-F123 WeakPolarHBondContact O-CB 3.46Å; G87-K124 PolarHBondContact O-N 3.14Å
88	Y	98.2	Very high	96.3	Very high	32 Å²	32	32.6 Å²	32.6	13%	0.125	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	142.2	-178.4	-162.5	-108	0	0	0	111.4	I65 V67 V90 K124 E126 T146	I65-Y88 PolarHBondContact O-N 3.09Å; V67-Y88 PolarHBondContact N-O 3.3Å; Y88-V90 HydrophobicContact CD1-CG2 4.05Å; Y88-V90 HydrophobicContact CE1-CG2 3.61Å; Y88-K124 CarbonylContact C-O 3.59Å; Y88-K124 WeakPolarHBondContact CA-O 3.31Å; Y88-K124 HydrophobicContact CD2-CB 3.78Å; Y88-K124 HydrophobicContact CE2-CB 3.91Å; Y88-E126 HydrophobicContact CE1-CG 4.13Å; Y88-E126 WeakPolarHBondContact CE1-OE1 3.36Å; Y88-E126 WeakPolarHBondContact OH-CG 3.49Å; Y88-E126 PolarHBondContact OH-OE1 3.03Å; Y88-T146 HydrophobicContact CE1-CG2 4.46Å
89	L	98.8	Very high	96.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	125.3	178.8	-176.4	66.6	0	0	0	111.1	V67 D69 L78 W81 I86 C91 F123 K124 A125 E126	V67-L89 HydrophobicContact CB-CD1 3.84Å; V67-L89 HydrophobicContact CG1-CD1 3.84Å; V67-L89 CarbonylContact O-C 3.52Å; V67-L89 WeakPolarHBondContact O-CA 3.3Å; D69-L89 HydrophobicContact CB-CD1 4.03Å; L78-L89 HydrophobicContact CD2-CD2 3.77Å; W81-L89 VanDerWaalsContact CD1-CD2 3.47Å; W81-L89 HydrophobicContact CD2-CD1 4.38Å; W81-L89 HydrophobicContact CG-CD1 4.14Å; W81-L89 HydrophobicContact CG-CD2 4.18Å; I86-L89 HydrophobicContact CD1-CB 3.99Å; I86-L89 HydrophobicContact CD1-CD1 4.11Å; L89-C91 VanDerWaalsContact CD2-SG 3.55Å; L89-F123 HydrophobicContact CB-CD2 3.66Å; L89-F123 HydrophobicContact CB-CE2 3.74Å; L89-F123 HydrophobicContact CD2-CD2 4.32Å; L89-F123 HydrophobicContact CD2-CE2 3.52Å; L89-F123 HydrophobicContact CD2-CZ 4.08Å; L89-F123 HydrophobicContact CG-CE2 4.29Å; L89-K124 PolarHBondContact N-O 3.13Å; L89-A125 HydrophobicContact CB-CB 4.17Å; L89-A125 CarbonylContact O-C 3.53Å; L89-A125 WeakPolarHBondContact O-CA 3.38Å; L89-E126 PolarHBondContact O-N 3.42Å
90	V	98.9	Very high	96.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	119.8	166.4	179.9	0	0	0	0	108	V67 L68 D69 Y88 E126 I128 F141 T146 F148	V67-V90 PolarHBondContact O-N 3.48Å; L68-V90 HydrophobicContact CD1-CB 3.82Å; L68-V90 HydrophobicContact CD1-CG1 3.67Å; D69-V90 PolarHBondContact N-O 3.42Å; Y88-V90 HydrophobicContact CD1-CG2 4.05Å; Y88-V90 HydrophobicContact CE1-CG2 3.61Å; V90-E126 HydrophobicContact CB-CG 4.22Å; V90-E126 HydrophobicContact CG1-CG 4.15Å; V90-E126 HydrophobicContact CG2-CG 3.69Å; V90-E126 VanDerWaalsContact CG2-OE1 3.3Å; V90-E126 WeakPolarHBondContact CG2-OE1 3.42Å; V90-I128 HydrophobicContact CG1-CD1 3.75Å; V90-F141 HydrophobicContact CG1-CD1 4.29Å; V90-F141 HydrophobicContact CG1-CE1 3.98Å; V90-T146 HydrophobicContact CG2-CG2 4.47Å; V90-F148 HydrophobicContact CB-CE1 3.88Å; V90-F148 HydrophobicContact CB-CZ 4.06Å; V90-F148 HydrophobicContact CG2-CE1 3.5Å; V90-F148 HydrophobicContact CG2-CZ 3.76Å
91	C	98.9	Very high	96.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	120.4	175.6	-77.5	0	0	0	0	109	C72 L89 E126 F127 I128	C72-C91 HydrophobicContact CB-CB 4.09Å; C72-C91 VanDerWaalsContact SG-CB 3.59Å; L89-C91 VanDerWaalsContact CD2-SG 3.55Å; C91-E126 PolarHBondContact N-O 3.46Å; C91-F127 HydrophobicContact CB-CD1 3.72Å; C91-F127 HydrophobicContact CB-CE1 4.11Å; C91-F127 CarbonylContact O-C 3.56Å; C91-F127 WeakPolarHBondContact O-CA 3.43Å; C91-I128 PolarHBondContact O-N 3.31Å
92	A	98.7	Very high	96.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	133	176.7	0	0	0	0	0	111	D69 L70 C71 C72 I128 I137	D69-A92 PolarHBondContact O-N 2.88Å; D69-A92 VanDerWaalsContact O-N 3.11Å; L70-A92 HydrophobicContact CD2-CB 4.39Å; C71-A92 WeakPolarHBondContact CA-O 3.34Å; C71-A92 PolarHBondContact N-O 2.97Å; C72-A92 PolarHBondContact N-O 2.83Å; C72-A92 VanDerWaalsContact N-O 3.12Å; A92-I128 WeakPolarHBondContact CA-O 3.38Å; A92-I128 HydrophobicContact CB-CB 4.27Å; A92-I137 HydrophobicContact CB-CD1 4.05Å
93	D	98	Very high	96.4	Very high	13 Å²	13	33.9 Å²	33.9	7%	0.07	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	151.7	175.1	-158.6	-77.6	0	0	0	111.1	C71 C72 G73 A95 V99 I128 T129 A130	C71-D93 WeakPolarHBondContact CA-OD2 3.38Å; C72-D93 PolarHBondContact N-OD2 3.02Å; G73-D93 VanDerWaalsContact CA-OD2 3.3Å; G73-D93 WeakPolarHBondContact CA-OD2 3.27Å; G73-D93 PolarHBondContact N-OD2 3.46Å; D93-A95 VanDerWaalsContact C-N 3.33Å; D93-A95 VanDerWaalsContact OD1-CB 3.29Å; D93-A95 WeakPolarHBondContact OD1-CB 3.22Å; D93-A95 PolarHBondContact OD1-N 3.35Å; D93-V99 HydrophobicContact CB-CG2 3.65Å; D93-I128 PolarHBondContact N-O 3.29Å; D93-I128 VanDerWaalsContact N-O 3.11Å; D93-T129 VanDerWaalsContact O-CA 3.29Å; D93-T129 WeakPolarHBondContact O-CA 3.32Å; D93-A130 CarbonylContact C-O 3.51Å; D93-A130 PolarHBondContact O-N 3.09Å
94	I	96	Very high	96.7	Very high	51 Å²	51	31.4 Å²	31.4	26%	0.262	16%	0.162	S	C	.	.	S	Bend	trans	-73.7	-27.9	177.4	-167.6	174.2	0	0	0	111.9	A15 G96 A130 D131	A15-I94 HydrophobicContact CB-CD1 4.23Å; A15-I94 HydrophobicContact CB-CG1 4.1Å; A15-I94 HydrophobicContact CB-CG2 3.85Å; I94-G96 PolarHBondContact O-N 2.98Å; I94-G96 VanDerWaalsContact O-N 3.17Å; I94-A130 VanDerWaalsContact CA-O 3.29Å; I94-A130 WeakPolarHBondContact CA-O 3.29Å; I94-A130 PolarHBondContact N-O 2.66Å; I94-D131 HydrophobicContact CD1-CB 3.72Å; I94-D131 HydrophobicContact CG1-CB 4.07Å
95	A	94.3	Very high	96.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.176	C	C	.	.			trans	-87	88.2	-172.9	0	0	0	0	0	110.3	N19 D93 V97 S98 V99	N19-A95 VanDerWaalsContact OD1-CB 3.32Å; N19-A95 WeakPolarHBondContact OD1-CB 3.38Å; D93-A95 VanDerWaalsContact C-N 3.33Å; D93-A95 VanDerWaalsContact OD1-CB 3.29Å; D93-A95 WeakPolarHBondContact OD1-CB 3.22Å; D93-A95 PolarHBondContact OD1-N 3.35Å; A95-V97 VanDerWaalsContact C-N 3.29Å; A95-V97 PolarHBondContact O-N 2.94Å; A95-V97 VanDerWaalsContact O-N 3.12Å; A95-S98 VanDerWaalsContact O-CA 3.3Å; A95-S98 WeakPolarHBondContact O-CA 3.37Å; A95-S98 WeakPolarHBondContact O-CB 3.4Å; A95-S98 PolarHBondContact O-N 2.86Å; A95-V99 PolarHBondContact O-N 3.26Å
96	G	94.6	Very high	97	Very high	24 Å²	24	27.9 Å²	27.9	25%	0.247	15%	0.149	C	C	.	.	H	α-helix	trans	-52.5	-36.7	-173.7	0	0	0	0	0	115.7	I94 S98 V99 E100	I94-G96 PolarHBondContact O-N 2.98Å; I94-G96 VanDerWaalsContact O-N 3.17Å; G96-S98 VanDerWaalsContact C-N 3.29Å; G96-S98 PolarHBondContact O-N 3.07Å; G96-V99 PolarHBondContact O-N 3.05Å; G96-E100 PolarHBondContact O-N 2.93Å
97	V	95.2	Very high	97	Very high	74 Å²	74	31.3 Å²	31.3	45%	0.448	17%	0.167	S	C	.	.	H	α-helix	trans	-65.4	-36.6	174.2	179.3	0	0	0	0	110.9	N19 A95 Q101	N19-V97 HydrophobicContact CB-CB 4.35Å; N19-V97 HydrophobicContact CB-CG2 4.42Å; N19-V97 VanDerWaalsContact OD1-CB 3.32Å; N19-V97 WeakPolarHBondContact OD1-CB 3.16Å; N19-V97 PolarHBondContact OD1-N 2.96Å; A95-V97 VanDerWaalsContact C-N 3.29Å; A95-V97 PolarHBondContact O-N 2.94Å; A95-V97 VanDerWaalsContact O-N 3.12Å; V97-Q101 VanDerWaalsContact O-CG 3.3Å; V97-Q101 WeakPolarHBondContact O-CG 3.33Å; V97-Q101 PolarHBondContact O-N 2.92Å
98	S	94.2	Very high	96.9	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.014	18%	0.18	C	C	.	.	H	α-helix	trans	-66.5	-38.1	174.4	-60.9	0	0	0	0	111.9	A95 G96 Q101 C102	A95-S98 VanDerWaalsContact O-CA 3.3Å; A95-S98 WeakPolarHBondContact O-CA 3.37Å; A95-S98 WeakPolarHBondContact O-CB 3.4Å; A95-S98 PolarHBondContact O-N 2.86Å; G96-S98 VanDerWaalsContact C-N 3.29Å; G96-S98 PolarHBondContact O-N 3.07Å; S98-Q101 PolarHBondContact O-N 2.8Å; S98-C102 WeakPolarHBondContact O-CB 3.39Å; S98-C102 PolarHBondContact O-N 3.03Å
99	V	97	Very high	96.7	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.006	18%	0.178	C	C	.	.	H	α-helix	trans	-63.3	-46.7	175.4	179.6	0	0	0	0	111.3	D93 A95 G96 Q101 C102 K103 F127	D93-V99 HydrophobicContact CB-CG2 3.65Å; A95-V99 PolarHBondContact O-N 3.26Å; G96-V99 PolarHBondContact O-N 3.05Å; V99-Q101 VanDerWaalsContact C-N 3.3Å; V99-Q101 PolarHBondContact O-N 2.83Å; V99-C102 WeakPolarHBondContact O-CA 3.43Å; V99-C102 VanDerWaalsContact O-CB 3.23Å; V99-C102 WeakPolarHBondContact O-CB 3.31Å; V99-C102 PolarHBondContact O-N 2.82Å; V99-C102 VanDerWaalsContact O-N 3.07Å; V99-K103 PolarHBondContact O-N 2.95Å; V99-F127 HydrophobicContact CG1-CB 3.75Å
100	E	97.4	Very high	96.4	Very high	110 Å²	110	36.4 Å²	36.4	51%	0.514	20%	0.196	S	C	.	.	H	α-helix	trans	-62.9	-37	175.9	-72.4	-56.2	134.5	0	0	112.1	G96 K103 G104	G96-E100 PolarHBondContact O-N 2.93Å; E100-K103 PolarHBondContact O-N 3.24Å; E100-G104 PolarHBondContact O-N 2.92Å
101	Q	95.9	Very high	96	Very high	45 Å²	45	41.3 Å²	41.3	21%	0.21	22%	0.219	C	C	.	.	H	α-helix	trans	-66.6	-35.7	172.2	-71.9	-179.9	21.8	0	0	112.9	K74 V97 S98 V99 R105	K74-Q101 HydrophobicContact CB-CB 4.4Å; K74-Q101 HydrophobicContact CG-CB 4.26Å; V97-Q101 VanDerWaalsContact O-CG 3.3Å; V97-Q101 WeakPolarHBondContact O-CG 3.33Å; V97-Q101 PolarHBondContact O-N 2.92Å; S98-Q101 PolarHBondContact O-N 2.8Å; V99-Q101 VanDerWaalsContact C-N 3.3Å; V99-Q101 PolarHBondContact O-N 2.83Å; Q101-R105 WeakPolarHBondContact O-CG 3.25Å; Q101-R105 PolarHBondContact O-N 3.11Å
102	C	97.8	Very high	95.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-60.8	-48.2	173	-172.4	0	0	0	0	110.4	G75 S98 V99 R105 F106 F127	G75-C102 WeakPolarHBondContact CA-SG 3.33Å; S98-C102 WeakPolarHBondContact O-CB 3.39Å; S98-C102 PolarHBondContact O-N 3.03Å; V99-C102 WeakPolarHBondContact O-CA 3.43Å; V99-C102 VanDerWaalsContact O-CB 3.23Å; V99-C102 WeakPolarHBondContact O-CB 3.31Å; V99-C102 PolarHBondContact O-N 2.82Å; V99-C102 VanDerWaalsContact O-N 3.07Å; C102-R105 PolarHBondContact O-N 3.11Å; C102-F106 PolarHBondContact O-N 2.87Å; C102-F127 HydrophobicContact CB-CD1 4.28Å; C102-F127 HydrophobicContact CB-CE1 4.26Å
103	K	98.5	Very high	94.9	Very high	84 Å²	84	50.4 Å²	50.4	37%	0.365	26%	0.256	S	S	.	.	H	α-helix	trans	-60.1	-45.5	176.2	-176.4	178.2	177.8	-174.8	0	112.6	V99 E100 R105 F106 N107 F127	V99-K103 PolarHBondContact O-N 2.95Å; E100-K103 PolarHBondContact O-N 3.24Å; K103-R105 PolarHBondContact O-N 3.12Å; K103-F106 WeakPolarHBondContact O-CB 3.31Å; K103-F106 PolarHBondContact O-N 3Å; K103-N107 PolarHBondContact O-N 2.75Å; K103-F127 HydrophobicContact CB-CD1 4.03Å; K103-F127 HydrophobicContact CB-CD2 3.88Å; K103-F127 HydrophobicContact CB-CE1 4.14Å; K103-F127 HydrophobicContact CB-CE2 3.99Å; K103-F127 HydrophobicContact CB-CG 3.92Å; K103-F127 HydrophobicContact CB-CZ 4.13Å; K103-F127 HydrophobicContact CD-CD2 4.1Å; K103-F127 HydrophobicContact CG-CD2 3.76Å; K103-F127 HydrophobicContact CG-CE2 3.81Å; K103-F127 HydrophobicContact CG-CG 4.29Å; K103-F127 HydrophobicContact CG-CZ 4.37Å
104	G	97.9	Very high	94.3	Very high	30 Å²	30	53.8 Å²	53.8	31%	0.309	28%	0.281	S	S	.	.	H	α-helix	trans	-57.1	-48.7	174.7	0	0	0	0	0	112.5	E100 F106 N107 D108	E100-G104 PolarHBondContact O-N 2.92Å; G104-F106 VanDerWaalsContact C-N 3.28Å; G104-F106 PolarHBondContact O-N 3.38Å; G104-N107 PolarHBondContact O-N 2.92Å; G104-N107 VanDerWaalsContact O-N 3.14Å; G104-D108 PolarHBondContact O-N 2.92Å
105	R	96.3	Very high	93.6	Very high	80 Å²	80	59.7 Å²	59.7	30%	0.302	30%	0.301	S	S	.	.	H	α-helix	trans	-63.5	-32.5	177.4	-72.4	171	178.6	-164.8	-2.2	113.4	K74 L78 Q101 C102 K103 L109	K74-R105 WeakPolarHBondContact O-CD 3.48Å; K74-R105 PolarHBondContact O-NE 2.79Å; K74-R105 PolarHBondContact O-NH1 3.21Å; L78-R105 HydrophobicContact CD1-CB 3.71Å; Q101-R105 WeakPolarHBondContact O-CG 3.25Å; Q101-R105 PolarHBondContact O-N 3.11Å; C102-R105 PolarHBondContact O-N 3.11Å; K103-R105 PolarHBondContact O-N 3.12Å; R105-L109 WeakPolarHBondContact O-CG 3.29Å; R105-L109 PolarHBondContact O-N 2.84Å; R105-L109 VanDerWaalsContact O-N 3.16Å
106	F	98	Very high	92.8	Very high	16 Å²	16	63.6 Å²	63.6	7%	0.07	32%	0.322	C	S	.	.	H	α-helix	trans	-69	-43.6	173.7	174.1	-103.1	0	0	0	111.3	L78 C102 K103 G104 D108 L109 V110 L122 F123 A125 F127	L78-F106 HydrophobicContact CD1-CB 4.21Å; L78-F106 HydrophobicContact CD2-CB 4.34Å; L78-F106 HydrophobicContact CD2-CD2 4.33Å; C102-F106 PolarHBondContact O-N 2.87Å; K103-F106 WeakPolarHBondContact O-CB 3.31Å; K103-F106 PolarHBondContact O-N 3Å; G104-F106 VanDerWaalsContact C-N 3.28Å; G104-F106 PolarHBondContact O-N 3.38Å; F106-D108 VanDerWaalsContact C-N 3.33Å; F106-D108 PolarHBondContact O-N 3.39Å; F106-L109 CarbonylContact O-C 3.51Å; F106-L109 WeakPolarHBondContact O-CA 3.5Å; F106-L109 WeakPolarHBondContact O-CB 3.27Å; F106-L109 PolarHBondContact O-N 2.95Å; F106-V110 HydrophobicContact CD1-CG2 4.11Å; F106-V110 HydrophobicContact CD2-CG2 4.5Å; F106-V110 HydrophobicContact CE1-CG2 3.61Å; F106-V110 HydrophobicContact CE2-CG2 4.04Å; F106-V110 HydrophobicContact CZ-CG2 3.57Å; F106-V110 WeakPolarHBondContact O-CG2 3.3Å; F106-V110 PolarHBondContact O-N 3.06Å; F106-L122 HydrophobicContact CE2-CD2 3.97Å; F106-L122 HydrophobicContact CE2-CG 4.41Å; F106-F123 AromaticContact CD2-CE2 3.77Å; F106-F123 HydrophobicContact CD2-CE2 3.77Å; F106-F123 HydrophobicContact CD2-CZ 4.17Å; F106-F123 AromaticContact CE2-CD2 3.79Å; F106-F123 HydrophobicContact CE2-CD2 3.79Å; F106-F123 AromaticContact CE2-CE2 3.43Å; F106-F123 HydrophobicContact CE2-CE2 3.43Å; F106-F123 VanDerWaalsContact CE2-CE2 3.43Å; F106-F123 HydrophobicContact CE2-CZ 4.04Å; F106-F123 WeakPolarHBondContact CE2-O 3.38Å; F106-F123 VanDerWaalsContact CZ-O 3.25Å; F106-F123 WeakPolarHBondContact CZ-O 3.4Å; F106-A125 HydrophobicContact CD1-CB 4.05Å; F106-A125 HydrophobicContact CD2-CB 3.99Å; F106-A125 HydrophobicContact CE1-CB 3.81Å; F106-A125 HydrophobicContact CE2-CB 3.75Å; F106-A125 HydrophobicContact CG-CB 4.13Å; F106-A125 HydrophobicContact CZ-CB 3.65Å; F106-F127 HydrophobicContact CB-CE1 4.33Å; F106-F127 HydrophobicContact CB-CZ 3.62Å; F106-F127 HydrophobicContact CD1-CE2 4Å; F106-F127 AromaticContact CD1-CZ 3.78Å; F106-F127 HydrophobicContact CD1-CZ 3.78Å; F106-F127 HydrophobicContact CG-CE2 4.46Å; F106-F127 AromaticContact CG-CZ 3.77Å; F106-F127 HydrophobicContact CG-CZ 3.77Å
107	N	96.8	Very high	91.6	Very high	83 Å²	83	74.4 Å²	74.4	44%	0.444	36%	0.356	S	S	.	.	H	α-helix	trans	-60.3	-42.7	175.5	-67.6	-18	0	0	0	111.6	K103 G104 L109 V110 E111	K103-N107 PolarHBondContact O-N 2.75Å; G104-N107 PolarHBondContact O-N 2.92Å; G104-N107 VanDerWaalsContact O-N 3.14Å; N107-L109 PolarHBondContact O-N 3.46Å; N107-V110 WeakPolarHBondContact O-CB 3.29Å; N107-V110 PolarHBondContact O-N 2.8Å; N107-V110 VanDerWaalsContact O-N 3.14Å; N107-E111 WeakPolarHBondContact O-CB 3.48Å; N107-E111 PolarHBondContact O-N 3.33Å
108	D	94.4	Very high	90.2	Very high	73 Å²	73	82 Å²	82	39%	0.39	38%	0.376	S	S	.	.	H	α-helix	trans	-59	-37.5	173.3	-64.9	-13.2	0	0	0	111.8	G104 F106 R112	G104-D108 PolarHBondContact O-N 2.92Å; F106-D108 VanDerWaalsContact C-N 3.33Å; F106-D108 PolarHBondContact O-N 3.39Å; D108-R112 WeakPolarHBondContact O-CB 3.48Å; D108-R112 WeakPolarHBondContact O-CD 3.35Å; D108-R112 WeakPolarHBondContact O-CG 2.98Å; D108-R112 PolarHBondContact O-N 2.73Å
109	L	93	Very high	88.9	Confident	16 Å²	16	83.7 Å²	83.7	8%	0.084	39%	0.39	C	S	.	.	H	α-helix	trans	-69	-39.7	176.4	-81.7	168.2	0	0	0	112.3	L78 L79 K82 R105 F106 N107 A113 L122	L78-L109 HydrophobicContact CB-CD1 3.64Å; L78-L109 HydrophobicContact CD1-CD1 4.26Å; L79-L109 HydrophobicContact CD2-CD1 4.4Å; L79-L109 HydrophobicContact CD2-CD2 3.61Å; K82-L109 HydrophobicContact CD-CD2 4.25Å; R105-L109 WeakPolarHBondContact O-CG 3.29Å; R105-L109 PolarHBondContact O-N 2.84Å; R105-L109 VanDerWaalsContact O-N 3.16Å; F106-L109 CarbonylContact O-C 3.51Å; F106-L109 WeakPolarHBondContact O-CA 3.5Å; F106-L109 WeakPolarHBondContact O-CB 3.27Å; F106-L109 PolarHBondContact O-N 2.95Å; N107-L109 PolarHBondContact O-N 3.46Å; L109-A113 VanDerWaalsContact O-CB 3.28Å; L109-A113 WeakPolarHBondContact O-CB 3.19Å; L109-A113 PolarHBondContact O-N 3.13Å; L109-L122 HydrophobicContact CB-CD2 4.04Å
110	V	92.3	Very high	87.3	Confident	62 Å²	62	89 Å²	89	38%	0.376	42%	0.419	S	S	.	.	H	α-helix	trans	-63.4	-49.6	174.9	172.5	0	0	0	0	110	F106 N107 R112 A113 S114 L122	F106-V110 HydrophobicContact CD1-CG2 4.11Å; F106-V110 HydrophobicContact CD2-CG2 4.5Å; F106-V110 HydrophobicContact CE1-CG2 3.61Å; F106-V110 HydrophobicContact CE2-CG2 4.04Å; F106-V110 HydrophobicContact CZ-CG2 3.57Å; F106-V110 WeakPolarHBondContact O-CG2 3.3Å; F106-V110 PolarHBondContact O-N 3.06Å; N107-V110 WeakPolarHBondContact O-CB 3.29Å; N107-V110 PolarHBondContact O-N 2.8Å; N107-V110 VanDerWaalsContact O-N 3.14Å; V110-R112 PolarHBondContact O-N 2.93Å; V110-A113 PolarHBondContact O-N 3.36Å; V110-A113 VanDerWaalsContact O-N 3.13Å; V110-S114 PolarHBondContact O-N 3.28Å; V110-L122 HydrophobicContact CB-CD2 4.37Å; V110-L122 HydrophobicContact CG2-CD2 3.7Å
111	E	91.2	Very high	86.1	Confident	104 Å²	104	89.7 Å²	89.7	49%	0.486	44%	0.435	S	S	.	.	H	α-helix	trans	-58.2	-50	179.4	179.7	177.2	-162.9	0	0	110.8	N107 A113 S114 Y115	N107-E111 WeakPolarHBondContact O-CB 3.48Å; N107-E111 PolarHBondContact O-N 3.33Å; E111-A113 VanDerWaalsContact C-N 3.28Å; E111-A113 PolarHBondContact O-N 3.14Å; E111-S114 WeakPolarHBondContact O-CB 3.45Å; E111-S114 PolarHBondContact O-N 2.96Å; E111-S114 VanDerWaalsContact O-N 3.09Å; E111-S114 PolarHBondContact O-OG 3.44Å; E111-Y115 HydrophobicContact CG-CE2 3.74Å; E111-Y115 WeakPolarHBondContact O-CD2 3.34Å
112	R	88	Confident	85.9	Confident	175 Å²	175	89 Å²	89	66%	0.66	43%	0.433	S	S	*	.	H	α-helix	trans	-60.9	-36.2	176.2	-70.8	171	-168.1	-172.7	6.3	112.9	D108 V110	D108-R112 WeakPolarHBondContact O-CB 3.48Å; D108-R112 WeakPolarHBondContact O-CD 3.35Å; D108-R112 WeakPolarHBondContact O-CG 2.98Å; D108-R112 PolarHBondContact O-N 2.73Å; V110-R112 PolarHBondContact O-N 2.93Å
113	A	87	Confident	85.8	Confident	15 Å²	15	89.3 Å²	89.3	12%	0.124	43%	0.434	C	S	.	.	H	α-helix	trans	-71	-30.8	176.9	0	0	0	0	0	112.3	L109 V110 E111 Y115 D116	L109-A113 VanDerWaalsContact O-CB 3.28Å; L109-A113 WeakPolarHBondContact O-CB 3.19Å; L109-A113 PolarHBondContact O-N 3.13Å; V110-A113 PolarHBondContact O-N 3.36Å; V110-A113 VanDerWaalsContact O-N 3.13Å; E111-A113 VanDerWaalsContact C-N 3.28Å; E111-A113 PolarHBondContact O-N 3.14Å; A113-Y115 VanDerWaalsContact C-N 3.27Å; A113-Y115 PolarHBondContact O-N 2.89Å; A113-D116 PolarHBondContact O-N 3.31Å; A113-D116 VanDerWaalsContact O-N 3.14Å
114	S	83.8	Confident	85.7	Confident	85 Å²	85	92.9 Å²	92.9	59%	0.594	45%	0.45	S	S	*	.	H	α-helix	trans	-65.4	-29	178.9	78.8	0	0	0	0	113.4	V110 E111	V110-S114 PolarHBondContact O-N 3.28Å; E111-S114 WeakPolarHBondContact O-CB 3.45Å; E111-S114 PolarHBondContact O-N 2.96Å; E111-S114 VanDerWaalsContact O-N 3.09Å; E111-S114 PolarHBondContact O-OG 3.44Å
115	Y	81.7	Confident	85.7	Confident	174 Å²	174	92.3 Å²	92.3	68%	0.682	44%	0.443	S	S	*	.	H	α-helix	trans	-78.5	-21.7	175.1	-63.1	-63.6	0	0	0	113.2	E111 A113 R117	E111-Y115 HydrophobicContact CG-CE2 3.74Å; E111-Y115 WeakPolarHBondContact O-CD2 3.34Å; A113-Y115 VanDerWaalsContact C-N 3.27Å; A113-Y115 PolarHBondContact O-N 2.89Å; Y115-R117 PolarHBondContact O-N 3.14Å
116	D	78.7	Confident	85.8	Confident	83 Å²	83	88.7 Å²	88.7	44%	0.444	43%	0.429	S	S	.	.			trans	-90.5	93	179.1	-173.8	-2.2	0	0	0	110.3	A113 R118 A119	A113-D116 PolarHBondContact O-N 3.31Å; A113-D116 VanDerWaalsContact O-N 3.14Å; D116-R118 PolarHBondContact O-N 2.85Å; D116-R118 WeakPolarHBondContact OD1-CB 3.36Å; D116-R118 PolarHBondContact OD1-N 3.04Å; D116-A119 HydrophobicContact CB-CB 3.75Å; D116-A119 WeakPolarHBondContact O-CB 3.41Å; D116-A119 PolarHBondContact O-N 3.07Å; D116-A119 PolarHBondContact OD1-N 3Å
117	R	67.6	Low	85.8	Confident	250 Å²	250	90.1 Å²	90.1	94%	0.943	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-15.6	177.4	-62.6	-175.9	-176	178.7	1.1	113.8	Y115	Y115-R117 PolarHBondContact O-N 3.14Å
118	R	67.2	Low	85.9	Confident	235 Å²	235	86.7 Å²	86.7	89%	0.887	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-10.6	176	-62.1	-178.7	180	172.1	0.4	112.4	D116 N120	D116-R118 PolarHBondContact O-N 2.85Å; D116-R118 WeakPolarHBondContact OD1-CB 3.36Å; D116-R118 PolarHBondContact OD1-N 3.04Å; R118-N120 PolarHBondContact O-N 3.43Å
119	A	65.4	Low	86.1	Confident	37 Å²	37	86.8 Å²	86.8	31%	0.306	42%	0.42	S	S	.	.	S	Bend	trans	-69.8	131.3	176.6	0	0	0	0	0	109.7	D116	D116-A119 HydrophobicContact CB-CB 3.75Å; D116-A119 WeakPolarHBondContact O-CB 3.41Å; D116-A119 PolarHBondContact O-N 3.07Å; D116-A119 PolarHBondContact OD1-N 3Å
120	N	64.1	Low	86.3	Confident	113 Å²	113	86.2 Å²	86.2	60%	0.604	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-56.6	149.2	163.3	-70.1	-25.4	0	0	0	109.2	R118 L122	R118-N120 PolarHBondContact O-N 3.43Å; N120-L122 PolarHBondContact O-N 3.31Å
121	S	73.3	Confident	86.5	Confident	123 Å²	123	84.2 Å²	84.2	86%	0.86	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-47.2	128.1	171.9	-174.6	0	0	0	0	110.1
122	L	90.5	Very high	86.8	Confident	30 Å²	30	79.5 Å²	79.5	16%	0.157	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-69.8	150.8	175.7	-167.2	65.6	0	0	0	109.2	K82 F106 L109 V110 N120	K82-L122 HydrophobicContact CB-CD1 4.14Å; K82-L122 HydrophobicContact CD-CD1 3.96Å; K82-L122 HydrophobicContact CG-CD1 3.77Å; F106-L122 HydrophobicContact CE2-CD2 3.97Å; F106-L122 HydrophobicContact CE2-CG 4.41Å; L109-L122 HydrophobicContact CB-CD2 4.04Å; V110-L122 HydrophobicContact CB-CD2 4.37Å; V110-L122 HydrophobicContact CG2-CD2 3.7Å; N120-L122 PolarHBondContact O-N 3.31Å
123	F	95.2	Very high	87.3	Confident	7 Å²	7	71.2 Å²	71.2	3%	0.031	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-58.1	150.9	172.3	57.2	-90.9	0	0	0	111.1	L78 W81 K82 I86 G87 L89 F106 A125	L78-F123 HydrophobicContact CD2-CE2 4.47Å; L78-F123 HydrophobicContact CD2-CZ 4.28Å; W81-F123 HydrophobicContact CB-CE1 3.86Å; W81-F123 HydrophobicContact CB-CZ 3.89Å; K82-F123 HydrophobicContact CB-CE1 4.13Å; I86-F123 HydrophobicContact CD1-CB 4.47Å; I86-F123 HydrophobicContact CD1-CD1 4.26Å; I86-F123 HydrophobicContact CD1-CD2 4.32Å; I86-F123 HydrophobicContact CD1-CG 4.1Å; I86-F123 HydrophobicContact CG1-CB 3.82Å; I86-F123 HydrophobicContact CG1-CD1 3.7Å; I86-F123 HydrophobicContact CG1-CD2 4.43Å; I86-F123 HydrophobicContact CG1-CE1 4.4Å; I86-F123 HydrophobicContact CG1-CG 3.73Å; I86-F123 WeakPolarHBondContact O-CB 3.27Å; G87-F123 WeakPolarHBondContact O-CA 3.26Å; G87-F123 WeakPolarHBondContact O-CB 3.46Å; L89-F123 HydrophobicContact CB-CD2 3.66Å; L89-F123 HydrophobicContact CB-CE2 3.74Å; L89-F123 HydrophobicContact CD2-CD2 4.32Å; L89-F123 HydrophobicContact CD2-CE2 3.52Å; L89-F123 HydrophobicContact CD2-CZ 4.08Å; L89-F123 HydrophobicContact CG-CE2 4.29Å; F106-F123 AromaticContact CD2-CE2 3.77Å; F106-F123 HydrophobicContact CD2-CE2 3.77Å; F106-F123 HydrophobicContact CD2-CZ 4.17Å; F106-F123 AromaticContact CE2-CD2 3.79Å; F106-F123 HydrophobicContact CE2-CD2 3.79Å; F106-F123 AromaticContact CE2-CE2 3.43Å; F106-F123 HydrophobicContact CE2-CE2 3.43Å; F106-F123 VanDerWaalsContact CE2-CE2 3.43Å; F106-F123 HydrophobicContact CE2-CZ 4.04Å; F106-F123 WeakPolarHBondContact CE2-O 3.38Å; F106-F123 VanDerWaalsContact CZ-O 3.25Å; F106-F123 WeakPolarHBondContact CZ-O 3.4Å; F123-A125 HydrophobicContact CD2-CB 4.37Å; F123-A125 HydrophobicContact CE2-CB 4.27Å
124	K	96.7	Very high	87.7	Confident	159 Å²	159	74.8 Å²	74.8	69%	0.691	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.8	151.5	167.1	-62.4	180	-178.5	-179.2	0	109.2	G87 Y88 L89	G87-K124 PolarHBondContact O-N 3.14Å; Y88-K124 CarbonylContact C-O 3.59Å; Y88-K124 WeakPolarHBondContact CA-O 3.31Å; Y88-K124 HydrophobicContact CD2-CB 3.78Å; Y88-K124 HydrophobicContact CE2-CB 3.91Å; L89-K124 PolarHBondContact N-O 3.13Å
125	A	98.4	Very high	88.4	Confident	19 Å²	19	75.1 Å²	75.1	16%	0.157	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	146.4	177.9	0	0	0	0	0	112.4	L89 F106 F123 F127	L89-A125 HydrophobicContact CB-CB 4.17Å; L89-A125 CarbonylContact O-C 3.53Å; L89-A125 WeakPolarHBondContact O-CA 3.38Å; F106-A125 HydrophobicContact CD1-CB 4.05Å; F106-A125 HydrophobicContact CD2-CB 3.99Å; F106-A125 HydrophobicContact CE1-CB 3.81Å; F106-A125 HydrophobicContact CE2-CB 3.75Å; F106-A125 HydrophobicContact CG-CB 4.13Å; F106-A125 HydrophobicContact CZ-CB 3.65Å; F123-A125 HydrophobicContact CD2-CB 4.37Å; F123-A125 HydrophobicContact CE2-CB 4.27Å; A125-F127 HydrophobicContact CB-CE2 3.93Å; A125-F127 HydrophobicContact CB-CZ 3.71Å
126	E	98.4	Very high	89.2	Confident	4 Å²	4	69.3 Å²	69.3	2%	0.019	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	156	165.7	64.7	175.9	144.3	0	0	110.7	Y88 L89 V90 C91 Q142	Y88-E126 HydrophobicContact CE1-CG 4.13Å; Y88-E126 WeakPolarHBondContact CE1-OE1 3.36Å; Y88-E126 WeakPolarHBondContact OH-CG 3.49Å; Y88-E126 PolarHBondContact OH-OE1 3.03Å; L89-E126 PolarHBondContact O-N 3.42Å; V90-E126 HydrophobicContact CB-CG 4.22Å; V90-E126 HydrophobicContact CG1-CG 4.15Å; V90-E126 HydrophobicContact CG2-CG 3.69Å; V90-E126 VanDerWaalsContact CG2-OE1 3.3Å; V90-E126 WeakPolarHBondContact CG2-OE1 3.42Å; C91-E126 PolarHBondContact N-O 3.46Å; E126-Q142 HydrophobicContact CB-CG 4.4Å; E126-Q142 WeakPolarHBondContact OE2-CB 3.38Å; E126-Q142 VanDerWaalsContact OE2-CG 3.22Å; E126-Q142 WeakPolarHBondContact OE2-CG 3.19Å; E126-Q142 PolarHBondContact OE2-N 3.27Å
127	F	98.8	Very high	90.1	Very high	45 Å²	45	65.4 Å²	65.4	20%	0.197	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	123.2	-167.8	-57.4	-86.7	0	0	0	109.7	C91 V99 C102 K103 F106 A125	C91-F127 HydrophobicContact CB-CD1 3.72Å; C91-F127 HydrophobicContact CB-CE1 4.11Å; C91-F127 CarbonylContact O-C 3.56Å; C91-F127 WeakPolarHBondContact O-CA 3.43Å; V99-F127 HydrophobicContact CG1-CB 3.75Å; C102-F127 HydrophobicContact CB-CD1 4.28Å; C102-F127 HydrophobicContact CB-CE1 4.26Å; K103-F127 HydrophobicContact CB-CD1 4.03Å; K103-F127 HydrophobicContact CB-CD2 3.88Å; K103-F127 HydrophobicContact CB-CE1 4.14Å; K103-F127 HydrophobicContact CB-CE2 3.99Å; K103-F127 HydrophobicContact CB-CG 3.92Å; K103-F127 HydrophobicContact CB-CZ 4.13Å; K103-F127 HydrophobicContact CD-CD2 4.1Å; K103-F127 HydrophobicContact CG-CD2 3.76Å; K103-F127 HydrophobicContact CG-CE2 3.81Å; K103-F127 HydrophobicContact CG-CG 4.29Å; K103-F127 HydrophobicContact CG-CZ 4.37Å; F106-F127 HydrophobicContact CB-CE1 4.33Å; F106-F127 HydrophobicContact CB-CZ 3.62Å; F106-F127 HydrophobicContact CD1-CE2 4Å; F106-F127 AromaticContact CD1-CZ 3.78Å; F106-F127 HydrophobicContact CD1-CZ 3.78Å; F106-F127 HydrophobicContact CG-CE2 4.46Å; F106-F127 AromaticContact CG-CZ 3.77Å; F106-F127 HydrophobicContact CG-CZ 3.77Å; A125-F127 HydrophobicContact CB-CE2 3.93Å; A125-F127 HydrophobicContact CB-CZ 3.71Å
128	I	98.7	Very high	91.6	Very high	11 Å²	11	54 Å²	54	6%	0.056	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	126.7	-173.3	-60.1	169.4	0	0	0	108.3	V90 C91 A92 D93 A130 F141	V90-I128 HydrophobicContact CG1-CD1 3.75Å; C91-I128 PolarHBondContact O-N 3.31Å; A92-I128 WeakPolarHBondContact CA-O 3.38Å; A92-I128 HydrophobicContact CB-CB 4.27Å; D93-I128 PolarHBondContact N-O 3.29Å; D93-I128 VanDerWaalsContact N-O 3.11Å; I128-A130 HydrophobicContact CG2-CB 3.97Å; I128-F141 HydrophobicContact CD1-CD1 3.56Å; I128-F141 HydrophobicContact CD1-CE1 3.86Å
129	T	97.8	Very high	93	Very high	76 Å²	76	49.7 Å²	49.7	47%	0.466	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	110.4	168.9	-58.6	0	0	0	0	108.2	D93	D93-T129 VanDerWaalsContact O-CA 3.29Å; D93-T129 WeakPolarHBondContact O-CA 3.32Å
130	A	97.5	Very high	94.6	Very high	3 Å²	3	50.9 Å²	50.9	3%	0.025	28%	0.277	C	S	.	.	S	Bend	trans	-159.1	147.7	-178.2	0	0	0	0	0	111.2	D93 I94 I128 C132 E135 I137	D93-A130 CarbonylContact C-O 3.51Å; D93-A130 PolarHBondContact O-N 3.09Å; I94-A130 VanDerWaalsContact CA-O 3.29Å; I94-A130 WeakPolarHBondContact CA-O 3.29Å; I94-A130 PolarHBondContact N-O 2.66Å; I128-A130 HydrophobicContact CG2-CB 3.97Å; A130-C132 PolarHBondContact O-N 3.37Å; A130-E135 VanDerWaalsContact CA-OE1 3.27Å; A130-E135 WeakPolarHBondContact CA-OE1 3.25Å; A130-E135 HydrophobicContact CB-CB 4.37Å; A130-E135 WeakPolarHBondContact CB-OE1 3.36Å; A130-I137 HydrophobicContact CB-CG2 3.89Å
131	D	96.9	Very high	96.2	Very high	21 Å²	21	46.3 Å²	46.3	11%	0.112	25%	0.251	C	S	.	.			trans	-71.6	98	163.9	-172.1	-15.8	0	0	0	108.4	I94 A133 E134 E135 R166	I94-D131 HydrophobicContact CD1-CB 3.72Å; I94-D131 HydrophobicContact CG1-CB 4.07Å; D131-A133 PolarHBondContact O-N 3.38Å; D131-A133 WeakPolarHBondContact OD1-CB 3.23Å; D131-A133 PolarHBondContact OD1-N 3.32Å; D131-E134 HydrophobicContact CB-CB 4.19Å; D131-E134 HydrophobicContact CB-CG 4.34Å; D131-E134 PolarHBondContact O-N 3.13Å; D131-E134 WeakPolarHBondContact OD2-CG 3.5Å; D131-E135 PolarHBondContact N-OE1 2.9Å; D131-E135 PolarHBondContact O-N 2.85Å; D131-R166 IonicContact OD1-CZ 3.04Å; D131-R166 IonicContact OD1-NH1 3.81Å; D131-R166 IonicContact OD1-NH2 2.75Å; D131-R166 PolarHBondContact OD1-NH2 2.98Å; D131-R166 IonicContact OD2-CZ 3.99Å; D131-R166 IonicContact OD2-NH1 3.55Å; D131-R166 PolarHBondContact OD2-NH1 3.39Å; D131-R166 IonicContact OD2-NH2 2.77Å; D131-R166 PolarHBondContact OD2-NH2 2.97Å
132	C	97.6	Very high	97.4	Very high	4 Å²	4	47.8 Å²	47.8	3%	0.027	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-7.7	-178.6	-62	0	0	0	0	113.7	L70 A130 L170 N173	L70-C132 HydrophobicContact CD2-CB 4.4Å; A130-C132 PolarHBondContact O-N 3.37Å; C132-L170 HydrophobicContact CB-CD1 3.78Å; C132-L170 VanDerWaalsContact O-CA 3.31Å; C132-L170 WeakPolarHBondContact O-CA 3.29Å; C132-N173 PolarHBondContact O-ND2 2.98Å
133	A	97.2	Very high	97.7	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.008	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106	0.7	174.5	0	0	0	0	0	114.1	D131 C160 R166 R169 L170	D131-A133 PolarHBondContact O-N 3.38Å; D131-A133 WeakPolarHBondContact OD1-CB 3.23Å; D131-A133 PolarHBondContact OD1-N 3.32Å; A133-C160 HydrophobicContact CB-CB 3.77Å; A133-R166 HydrophobicContact CB-CB 4.01Å; A133-R166 HydrophobicContact CB-CG 4.34Å; A133-R166 VanDerWaalsContact O-CA 3.31Å; A133-R166 WeakPolarHBondContact O-CA 3.28Å; A133-R169 WeakPolarHBondContact O-CB 3.35Å; A133-L170 HydrophobicContact CB-CB 4.4Å
134	E	97.2	Very high	97.7	Very high	90 Å²	90	53 Å²	53	42%	0.421	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.3	-37.4	172.6	-63.6	-67.9	167.4	0	0	111.3	D131 R166	D131-E134 HydrophobicContact CB-CB 4.19Å; D131-E134 HydrophobicContact CB-CG 4.34Å; D131-E134 PolarHBondContact O-N 3.13Å; D131-E134 WeakPolarHBondContact OD2-CG 3.5Å; E134-R166 WeakPolarHBondContact OE1-CD 3.35Å; E134-R166 WeakPolarHBondContact OE1-CG 3.31Å; E134-R166 IonicContact OE1-CZ 2.66Å; E134-R166 IonicContact OE1-NE 3.18Å; E134-R166 IonicContact OE1-NH1 3.76Å; E134-R166 PolarHBondContact OE1-NH1 2.95Å
135	E	98.1	Very high	97.7	Very high	92 Å²	92	51.6 Å²	51.6	43%	0.43	28%	0.281	S	S	.	.	S	Bend	trans	-96.2	142.9	-172.2	-61.5	178.9	-98.3	0	0	111.9	A130 D131 I137 R169 N173	A130-E135 VanDerWaalsContact CA-OE1 3.27Å; A130-E135 WeakPolarHBondContact CA-OE1 3.25Å; A130-E135 HydrophobicContact CB-CB 4.37Å; A130-E135 WeakPolarHBondContact CB-OE1 3.36Å; D131-E135 PolarHBondContact N-OE1 2.9Å; D131-E135 PolarHBondContact O-N 2.85Å; E135-I137 PolarHBondContact O-N 3.4Å; E135-R169 WeakPolarHBondContact O-CD 3.3Å; E135-N173 PolarHBondContact O-ND2 3.33Å
136	D	98.2	Very high	97.6	Very high	52 Å²	52	51.3 Å²	51.3	28%	0.278	28%	0.278	S	S	.	.			trans	-78.7	96.6	164	-176.1	-14.4	0	0	0	108.8	S138 L139 R169	D136-S138 PolarHBondContact O-N 2.71Å; D136-S138 VanDerWaalsContact O-N 3.12Å; D136-S138 VanDerWaalsContact OD1-CB 3.25Å; D136-S138 WeakPolarHBondContact OD1-CB 3.33Å; D136-S138 PolarHBondContact OD1-N 2.97Å; D136-S138 PolarHBondContact OD1-OG 3.35Å; D136-L139 HydrophobicContact CB-CD1 4.17Å; D136-L139 HydrophobicContact CB-CG 4.22Å; D136-L139 WeakPolarHBondContact O-CB 3.47Å; D136-L139 PolarHBondContact O-N 2.83Å; D136-R169 IonicContact OD2-NH1 3.99Å
137	I	98.2	Very high	97.6	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.005	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-66.9	-14.6	-175.9	68	176.6	0	0	0	112.6	L68 L70 A92 A130 E135 L139 S140 F141 N173	L68-I137 HydrophobicContact CD1-CD1 4.1Å; L68-I137 HydrophobicContact CD2-CD1 4.31Å; L70-I137 HydrophobicContact CD2-CD1 3.52Å; A92-I137 HydrophobicContact CB-CD1 4.05Å; A130-I137 HydrophobicContact CB-CG2 3.89Å; E135-I137 PolarHBondContact O-N 3.4Å; I137-L139 PolarHBondContact O-N 3.11Å; I137-S140 PolarHBondContact O-N 3.25Å; I137-F141 HydrophobicContact CB-CE1 4.48Å; I137-F141 HydrophobicContact CD1-CE1 4.34Å; I137-F141 HydrophobicContact CG1-CE1 4Å; I137-F141 HydrophobicContact CG1-CZ 4.17Å; I137-F141 VanDerWaalsContact O-CD1 3.26Å; I137-F141 WeakPolarHBondContact O-CD1 3.44Å; I137-F141 VanDerWaalsContact O-CE1 3.27Å; I137-F141 WeakPolarHBondContact O-CE1 3.4Å; I137-N173 HydrophobicContact CD1-CB 4.09Å; I137-N173 HydrophobicContact CG1-CB 4.15Å; I137-N173 PolarHBondContact N-OD1 3.06Å
138	S	97.7	Very high	97.6	Very high	11 Å²	11	54.1 Å²	54.1	8%	0.077	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-67.5	-20.8	177.9	78.1	0	0	0	0	112.8	D136 S140	D136-S138 PolarHBondContact O-N 2.71Å; D136-S138 VanDerWaalsContact O-N 3.12Å; D136-S138 VanDerWaalsContact OD1-CB 3.25Å; D136-S138 WeakPolarHBondContact OD1-CB 3.33Å; D136-S138 PolarHBondContact OD1-N 2.97Å; D136-S138 PolarHBondContact OD1-OG 3.35Å; S138-S140 PolarHBondContact O-N 3.38Å
139	L	97.8	Very high	97.6	Very high	144 Å²	144	54.4 Å²	54.4	75%	0.754	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-71.8	-15.1	172.1	-57.5	179.4	0	0	0	112.8	D136 I137	D136-L139 HydrophobicContact CB-CD1 4.17Å; D136-L139 HydrophobicContact CB-CG 4.22Å; D136-L139 WeakPolarHBondContact O-CB 3.47Å; D136-L139 PolarHBondContact O-N 2.83Å; I137-L139 PolarHBondContact O-N 3.11Å
140	S	97.8	Very high	97.6	Very high	62 Å²	62	50.8 Å²	50.8	43%	0.434	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-103.9	0.7	-179.3	-54.4	0	0	0	0	113.8	I137 S138	I137-S140 PolarHBondContact O-N 3.25Å; S138-S140 PolarHBondContact O-N 3.38Å
141	F	98.3	Very high	97.7	Very high	17 Å²	17	50.7 Å²	50.7	8%	0.075	27%	0.27	C	S	.	.			trans	-68.1	138.7	177.3	-62.4	-14.7	0	0	0	110.7	V90 I128 I137 N143 F148 R177	V90-F141 HydrophobicContact CG1-CD1 4.29Å; V90-F141 HydrophobicContact CG1-CE1 3.98Å; I128-F141 HydrophobicContact CD1-CD1 3.56Å; I128-F141 HydrophobicContact CD1-CE1 3.86Å; I137-F141 HydrophobicContact CB-CE1 4.48Å; I137-F141 HydrophobicContact CD1-CE1 4.34Å; I137-F141 HydrophobicContact CG1-CE1 4Å; I137-F141 HydrophobicContact CG1-CZ 4.17Å; I137-F141 VanDerWaalsContact O-CD1 3.26Å; I137-F141 WeakPolarHBondContact O-CD1 3.44Å; I137-F141 VanDerWaalsContact O-CE1 3.27Å; I137-F141 WeakPolarHBondContact O-CE1 3.4Å; F141-N143 VanDerWaalsContact CB-O 3.3Å; F141-N143 WeakPolarHBondContact CB-O 3.45Å; F141-N143 PolarHBondContact O-N 3.07Å; F141-F148 HydrophobicContact CE1-CZ 4.3Å; F141-F148 AromaticContact CE2-CE2 3.75Å; F141-F148 HydrophobicContact CE2-CE2 3.75Å; F141-F148 AromaticContact CE2-CZ 3.86Å; F141-F148 HydrophobicContact CE2-CZ 3.86Å; F141-F148 AromaticContact CZ-CE2 3.66Å; F141-F148 HydrophobicContact CZ-CE2 3.66Å; F141-F148 AromaticContact CZ-CZ 3.66Å; F141-F148 HydrophobicContact CZ-CZ 3.66Å; F141-R177 HydrophobicContact CE2-CG 4.19Å
142	Q	97.5	Very high	97.8	Very high	155 Å²	155	49.7 Å²	49.7	72%	0.724	27%	0.265	S	S	*	.	S	Bend	trans	-56.7	-32.2	172	-77.4	175.4	4	0	0	112.2	E126	E126-Q142 HydrophobicContact CB-CG 4.4Å; E126-Q142 WeakPolarHBondContact OE2-CB 3.38Å; E126-Q142 VanDerWaalsContact OE2-CG 3.22Å; E126-Q142 WeakPolarHBondContact OE2-CG 3.19Å; E126-Q142 PolarHBondContact OE2-N 3.27Å
143	N	97.4	Very high	97.9	Very high	85 Å²	85	49.5 Å²	49.5	46%	0.455	26%	0.264	S	S	.	.	S	Bend	trans	-123	116.7	170.8	-179.6	-1.4	0	0	0	109.5	F141 D145 T146	F141-N143 VanDerWaalsContact CB-O 3.3Å; F141-N143 WeakPolarHBondContact CB-O 3.45Å; F141-N143 PolarHBondContact O-N 3.07Å; N143-D145 PolarHBondContact O-N 3.15Å; N143-D145 VanDerWaalsContact O-N 3.15Å; N143-D145 WeakPolarHBondContact OD1-CB 3.15Å; N143-D145 PolarHBondContact OD1-N 2.85Å; N143-T146 WeakPolarHBondContact O-CB 3.28Å; N143-T146 PolarHBondContact O-N 3.17Å; N143-T146 PolarHBondContact O-OG1 3.23Å
144	A	95.1	Very high	97.9	Very high	60 Å²	60	50 Å²	50	50%	0.496	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-18.2	-179.9	0	0	0	0	0	113.7	R177	A144-R177 PolarHBondContact O-NH1 3.19Å; A144-R177 PolarHBondContact O-NH2 3.42Å
145	D	96.4	Very high	97.9	Very high	130 Å²	130	47.4 Å²	47.4	70%	0.695	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	3.3	177.6	-62.7	-37.7	0	0	0	113.2	N143 Q147	N143-D145 PolarHBondContact O-N 3.15Å; N143-D145 VanDerWaalsContact O-N 3.15Å; N143-D145 WeakPolarHBondContact OD1-CB 3.15Å; N143-D145 PolarHBondContact OD1-N 2.85Å; D145-Q147 PolarHBondContact O-N 2.72Å
146	T	98.1	Very high	97.9	Very high	14 Å²	14	43.9 Å²	43.9	9%	0.086	24%	0.239	C	C	.	.			trans	-57.3	128.1	179.1	-64.8	0	0	0	0	111.1	Y88 V90 N143 F148	Y88-T146 HydrophobicContact CE1-CG2 4.46Å; V90-T146 HydrophobicContact CG2-CG2 4.47Å; N143-T146 WeakPolarHBondContact O-CB 3.28Å; N143-T146 PolarHBondContact O-N 3.17Å; N143-T146 PolarHBondContact O-OG1 3.23Å; T146-F148 HydrophobicContact CG2-CD1 4.42Å; T146-F148 HydrophobicContact CG2-CE1 3.69Å; T146-F148 HydrophobicContact CG2-CE2 4.42Å; T146-F148 HydrophobicContact CG2-CZ 3.69Å
147	Q	97.9	Very high	97.8	Very high	105 Å²	105	41.4 Å²	41.4	49%	0.491	23%	0.225	S	C	.	.			trans	-126.7	151	173.6	-68.2	-175.5	-18.7	0	0	110	C66 D145 R177 K179	C66-Q147 VanDerWaalsContact CB-O 3.3Å; C66-Q147 WeakPolarHBondContact CB-O 3.43Å; C66-Q147 PolarHBondContact SG-O 2.79Å; D145-Q147 PolarHBondContact O-N 2.72Å; Q147-R177 CarbonylContact C-O 3.56Å; Q147-R177 VanDerWaalsContact CA-O 3.31Å; Q147-R177 WeakPolarHBondContact CA-O 3.29Å; Q147-K179 HydrophobicContact CB-CD 4.37Å; Q147-K179 HydrophobicContact CB-CG 3.87Å
148	F	98.6	Very high	97.8	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.009	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	144	-172.8	-55.2	-71.2	0	0	0	111.8	C66 L68 V90 F141 T146 R177 L178 K179	C66-F148 HydrophobicContact CB-CD1 4.48Å; C66-F148 WeakPolarHBondContact SG-CD1 3.36Å; L68-F148 HydrophobicContact CB-CD1 3.68Å; L68-F148 HydrophobicContact CB-CD2 3.91Å; L68-F148 HydrophobicContact CB-CE1 3.77Å; L68-F148 HydrophobicContact CB-CE2 3.99Å; L68-F148 HydrophobicContact CB-CG 3.75Å; L68-F148 HydrophobicContact CB-CZ 3.92Å; L68-F148 HydrophobicContact CD1-CE2 4.47Å; L68-F148 HydrophobicContact CD1-CZ 4.13Å; L68-F148 HydrophobicContact CD2-CD2 4.19Å; L68-F148 HydrophobicContact CD2-CE2 3.98Å; L68-F148 HydrophobicContact CD2-CZ 4.44Å; L68-F148 HydrophobicContact CG-CE2 4.37Å; L68-F148 HydrophobicContact CG-CZ 4.38Å; V90-F148 HydrophobicContact CB-CE1 3.88Å; V90-F148 HydrophobicContact CB-CZ 4.06Å; V90-F148 HydrophobicContact CG2-CE1 3.5Å; V90-F148 HydrophobicContact CG2-CZ 3.76Å; F141-F148 HydrophobicContact CE1-CZ 4.3Å; F141-F148 AromaticContact CE2-CE2 3.75Å; F141-F148 HydrophobicContact CE2-CE2 3.75Å; F141-F148 AromaticContact CE2-CZ 3.86Å; F141-F148 HydrophobicContact CE2-CZ 3.86Å; F141-F148 AromaticContact CZ-CE2 3.66Å; F141-F148 HydrophobicContact CZ-CE2 3.66Å; F141-F148 AromaticContact CZ-CZ 3.66Å; F141-F148 HydrophobicContact CZ-CZ 3.66Å; T146-F148 HydrophobicContact CG2-CD1 4.42Å; T146-F148 HydrophobicContact CG2-CE1 3.69Å; T146-F148 HydrophobicContact CG2-CE2 4.42Å; T146-F148 HydrophobicContact CG2-CZ 3.69Å; F148-R177 HydrophobicContact CD2-CB 3.75Å; F148-R177 HydrophobicContact CE2-CB 3.85Å; F148-R177 PolarHBondContact N-O 3.42Å; F148-L178 HydrophobicContact CB-CD1 4.13Å; F148-K179 WeakPolarHBondContact O-CG 3.23Å; F148-K179 PolarHBondContact O-N 2.85Å
149	D	98.4	Very high	97.7	Very high	18 Å²	18	42 Å²	42	10%	0.096	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-25.2	167.6	-52.2	-73.8	0	0	0	110.4	I56 I65 C66 K179 G182 Y183	I56-D149 HydrophobicContact CD1-CB 4.11Å; I56-D149 VanDerWaalsContact CD1-O 3.27Å; I56-D149 WeakPolarHBondContact CD1-O 3.33Å; I56-D149 HydrophobicContact CG2-CB 4.06Å; I65-D149 HydrophobicContact CG2-CB 4.05Å; C66-D149 PolarHBondContact N-OD2 3.35Å; C66-D149 PolarHBondContact O-N 2.97Å; D149-K179 VanDerWaalsContact CG-NZ 3.35Å; D149-K179 WeakPolarHBondContact OD1-CD 3.47Å; D149-K179 IonicContact OD1-NZ 3.89Å; D149-K179 PolarHBondContact OD1-NZ 2.87Å; D149-K179 IonicContact OD2-NZ 3.55Å; D149-K179 PolarHBondContact OD2-NZ 3.35Å; D149-G182 CarbonylContact O-C 3.59Å; D149-G182 WeakPolarHBondContact O-CA 3.36Å; D149-Y183 PolarHBondContact O-N 2.83Å
150	L	98.8	Very high	97.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	130.4	179.2	179.5	59	0	0	0	110.9	A52 I53 I56 C66 V67 L68 W81 Y183 I185	A52-L150 HydrophobicContact CB-CD1 3.7Å; A52-L150 HydrophobicContact CB-CD2 4.17Å; I53-L150 HydrophobicContact CG1-CD2 4.06Å; I56-L150 HydrophobicContact CD1-CB 3.83Å; C66-L150 PolarHBondContact O-N 3.39Å; V67-L150 CarbonylContact C-O 3.58Å; V67-L150 VanDerWaalsContact CA-O 3.27Å; V67-L150 WeakPolarHBondContact CA-O 3.2Å; V67-L150 HydrophobicContact CG1-CB 4.38Å; V67-L150 HydrophobicContact CG1-CD2 4.37Å; V67-L150 HydrophobicContact CG1-CG 4.3Å; V67-L150 HydrophobicContact CG2-CB 4.13Å; V67-L150 HydrophobicContact CG2-CD2 4.34Å; L68-L150 PolarHBondContact N-O 2.78Å; W81-L150 HydrophobicContact CH2-CD2 4.36Å; W81-L150 HydrophobicContact CZ3-CD2 3.83Å; L150-Y183 CarbonylContact C-O 3.57Å; L150-Y183 WeakPolarHBondContact CA-O 3.42Å; L150-Y183 WeakPolarHBondContact CD1-O 3.08Å; L150-I185 HydrophobicContact CD1-CD1 4.02Å; L150-I185 HydrophobicContact CD1-CG1 3.94Å; L150-I185 HydrophobicContact CD1-CG2 4.32Å; L150-I185 HydrophobicContact CD2-CD1 4.44Å
151	C	98.9	Very high	97.7	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.007	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	136.7	162.3	-177.8	0	0	0	0	109.4	L68 A174 L178 Y183 F184 I185	L68-C151 HydrophobicContact CB-CB 4.42Å; L68-C151 CarbonylContact O-C 3.52Å; L68-C151 WeakPolarHBondContact O-CA 3.47Å; C151-A174 WeakPolarHBondContact CB-O 3.36Å; C151-L178 HydrophobicContact CB-CD1 4.32Å; C151-Y183 PolarHBondContact N-O 3.47Å; C151-F184 HydrophobicContact CB-CD2 3.87Å; C151-F184 WeakPolarHBondContact O-CA 3.18Å; C151-I185 PolarHBondContact O-N 3.49Å
152	S	98.9	Very high	97.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	134.6	176.9	176.1	0	0	0	0	110.3	L68 L70 Q154 I185	L68-S152 PolarHBondContact O-N 3.28Å; L70-S152 PolarHBondContact N-O 3.13Å; S152-Q154 WeakPolarHBondContact OG-CG 3.3Å; S152-Q154 PolarHBondContact OG-NE2 3.21Å; S152-I185 CarbonylContact C-O 3.57Å; S152-I185 WeakPolarHBondContact CA-O 3.39Å
153	C	98.8	Very high	97.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	101.8	171.1	-171.6	0	0	0	0	109.9	L70 F184 I185 G186 T187	L70-C153 HydrophobicContact CB-CB 4.07Å; C153-F184 HydrophobicContact CB-CE2 3.88Å; C153-F184 HydrophobicContact CB-CZ 4.22Å; C153-I185 PolarHBondContact N-O 3.25Å; C153-G186 WeakPolarHBondContact O-CA 3.45Å; C153-T187 PolarHBondContact O-N 2.87Å
154	Q	98.5	Very high	97.7	Very high	11 Å²	11	27.3 Å²	27.3	5%	0.051	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	117.7	-168	-56.4	-65.8	-25	0	0	111.6	K45 S152 S156 T187	K45-Q154 HydrophobicContact CD-CB 3.63Å; K45-Q154 HydrophobicContact CD-CG 3.76Å; K45-Q154 HydrophobicContact CG-CB 4.38Å; K45-Q154 HydrophobicContact CG-CG 4.18Å; S152-Q154 WeakPolarHBondContact OG-CG 3.3Å; S152-Q154 PolarHBondContact OG-NE2 3.21Å; Q154-S156 VanDerWaalsContact C-N 3.26Å; Q154-S156 PolarHBondContact O-N 3.04Å; Q154-S156 PolarHBondContact O-OG 3.43Å; Q154-T187 VanDerWaalsContact OE1-CB 3.29Å; Q154-T187 PolarHBondContact OE1-OG1 3.41Å
155	F	96.8	Very high	97.8	Very high	36 Å²	36	27.7 Å²	27.7	16%	0.158	15%	0.153	C	C	.	.	S	Bend	trans	60.3	30	179.1	-57.6	-87	0	0	0	114.5	N41 K45 H158 T187 F267 Y345	N41-F155 HydrophobicContact CB-CE2 4.17Å; N41-F155 HydrophobicContact CB-CZ 3.84Å; K45-F155 HydrophobicContact CD-CD2 4.26Å; K45-F155 HydrophobicContact CD-CE2 4.02Å; K45-F155 HydrophobicContact CG-CE2 4.2Å; F155-H158 PolarHBondContact O-CE1 3.46Å; F155-H158 VanDerWaalsContact O-CE1 3.31Å; F155-T187 WeakPolarHBondContact CA-O 3Å; F155-T187 HydrophobicContact CD1-CG2 4.02Å; F155-T187 HydrophobicContact CD2-CG2 4.35Å; F155-T187 HydrophobicContact CE1-CG2 3.56Å; F155-T187 HydrophobicContact CE2-CG2 3.92Å; F155-T187 HydrophobicContact CG-CG2 4.41Å; F155-T187 HydrophobicContact CZ-CG2 3.51Å; F155-T187 PolarHBondContact N-O 3.2Å; F155-F267 HydrophobicContact CE1-CZ 4.16Å; F155-F267 HydrophobicContact CZ-CE2 4.47Å; F155-F267 AromaticContact CZ-CZ 3.86Å; F155-F267 HydrophobicContact CZ-CZ 3.86Å; F155-Y345 AromaticContact CD1-CD1 3.74Å; F155-Y345 HydrophobicContact CD1-CD1 3.74Å; F155-Y345 AromaticContact CD1-CE1 3.52Å; F155-Y345 HydrophobicContact CD1-CE1 3.52Å; F155-Y345 HydrophobicContact CD1-CG 4.49Å; F155-Y345 AromaticContact CE1-CD1 3.55Å; F155-Y345 HydrophobicContact CE1-CD1 3.55Å; F155-Y345 HydrophobicContact CE1-CD2 4.27Å; F155-Y345 AromaticContact CE1-CE1 3.7Å; F155-Y345 HydrophobicContact CE1-CE1 3.7Å; F155-Y345 HydrophobicContact CE1-CE2 4.38Å; F155-Y345 AromaticContact CE1-CG 3.87Å; F155-Y345 HydrophobicContact CE1-CG 3.87Å
156	S	97.2	Very high	97.9	Very high	17 Å²	17	22.1 Å²	22.1	12%	0.119	12%	0.122	C	C	.	.			trans	-136.4	-26.2	-176.6	-55.5	0	0	0	0	114.8	C71 Q154 H158 Y159	C71-S156 WeakPolarHBondContact CB-OG 3.1Å; Q154-S156 VanDerWaalsContact C-N 3.26Å; Q154-S156 PolarHBondContact O-N 3.04Å; Q154-S156 PolarHBondContact O-OG 3.43Å; S156-H158 PolarHBondContact O-N 2.96Å; S156-H158 VanDerWaalsContact O-N 3.15Å; S156-Y159 WeakPolarHBondContact O-CB 3.3Å; S156-Y159 WeakPolarHBondContact O-CD2 3.22Å; S156-Y159 PolarHBondContact O-N 2.97Å; S156-Y159 VanDerWaalsContact O-N 3.1Å
157	L	97.8	Very high	97.9	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-57.4	-36.3	-172.8	-179.9	151.1	0	0	0	113.3	Y159 C160 F161 L170 L171 F184 I188 V245 F250 F348	L157-Y159 PolarHBondContact O-N 2.99Å; L157-C160 PolarHBondContact O-N 2.83Å; L157-C160 VanDerWaalsContact O-N 3.11Å; L157-F161 HydrophobicContact CD2-CD2 3.84Å; L157-F161 HydrophobicContact CD2-CE2 3.27Å; L157-F161 HydrophobicContact CD2-CZ 4.03Å; L157-F161 HydrophobicContact CG-CE2 4.15Å; L157-L170 HydrophobicContact CB-CD2 4.17Å; L157-L170 HydrophobicContact CD1-CD2 4.29Å; L157-L170 HydrophobicContact CG-CD2 3.75Å; L157-L171 HydrophobicContact CD1-CD2 4.26Å; L157-F184 HydrophobicContact CD1-CE1 4.19Å; L157-F184 HydrophobicContact CD1-CZ 3.84Å; L157-I188 HydrophobicContact CB-CG2 3.78Å; L157-I188 HydrophobicContact CD2-CG2 4.05Å; L157-I188 HydrophobicContact CG-CG2 4.41Å; L157-V245 HydrophobicContact CD2-CG1 4.34Å; L157-V245 HydrophobicContact CD2-CG2 4.14Å; L157-F250 HydrophobicContact CD1-CE2 3.78Å; L157-F250 HydrophobicContact CD1-CZ 3.79Å; L157-F250 HydrophobicContact CD2-CE2 4.32Å; L157-F348 HydrophobicContact CD1-CZ 4.01Å
158	H	97.5	Very high	98	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.005	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-65.1	-22.7	-178.1	56.4	-80.6	0	0	0	113.6	F155 S156 C160 F161 P189 E242 Y243 V245	F155-H158 PolarHBondContact O-CE1 3.46Å; F155-H158 VanDerWaalsContact O-CE1 3.31Å; S156-H158 PolarHBondContact O-N 2.96Å; S156-H158 VanDerWaalsContact O-N 3.15Å; H158-C160 PolarHBondContact O-N 2.74Å; H158-F161 PolarHBondContact O-N 3.41Å; H158-P189 WeakPolarHBondContact ND1-CD 3.42Å; H158-E242 IonicContact CD2-OE1 3.41Å; H158-E242 IonicContact CD2-OE2 2.89Å; H158-E242 IonicContact CE1-OE1 3.96Å; H158-E242 IonicContact NE2-OE1 3.63Å; H158-E242 PolarHBondContact NE2-OE1 3.21Å; H158-E242 IonicContact NE2-OE2 3.44Å; H158-Y243 WeakPolarHBondContact O-CB 3.37Å; H158-Y243 WeakPolarHBondContact O-CD2 3.48Å; H158-V245 HydrophobicContact CB-CG2 3.72Å
159	Y	96.3	Very high	98	Very high	24 Å²	24	22.2 Å²	22.2	9%	0.094	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-66.8	-18.7	174.2	-60.3	-60.7	0	0	0	113.2	V14 Y18 S156 L157 C240 E242 Y243	V14-Y159 HydrophobicContact CG1-CD1 4.39Å; V14-Y159 HydrophobicContact CG1-CD2 4.3Å; V14-Y159 HydrophobicContact CG1-CG 4.26Å; V14-Y159 HydrophobicContact CG2-CD1 3.93Å; V14-Y159 HydrophobicContact CG2-CE1 4.33Å; V14-Y159 HydrophobicContact CG2-CG 4.38Å; Y18-Y159 HydrophobicContact CE2-CE2 4.29Å; Y18-Y159 PolarHBondContact OH-OH 3.11Å; Y18-Y159 VanDerWaalsContact OH-OH 3.05Å; S156-Y159 WeakPolarHBondContact O-CB 3.3Å; S156-Y159 WeakPolarHBondContact O-CD2 3.22Å; S156-Y159 PolarHBondContact O-N 2.97Å; S156-Y159 VanDerWaalsContact O-N 3.1Å; L157-Y159 PolarHBondContact O-N 2.99Å; Y159-C240 VanDerWaalsContact CE1-SG 3.51Å; Y159-E242 HydrophobicContact CD1-CG 4.18Å; Y159-E242 HydrophobicContact CE1-CG 3.6Å; Y159-E242 PolarHBondContact OH-OE1 2.71Å; Y159-Y243 WeakPolarHBondContact O-CE2 3.25Å
160	C	97	Very high	98	Very high	8 Å²	8	21.4 Å²	21.4	5%	0.054	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-92.8	-0.4	-176.7	-54.5	0	0	0	0	113.2	A133 L157 H158 S162 R166 A167 L170	A133-C160 HydrophobicContact CB-CB 3.77Å; L157-C160 PolarHBondContact O-N 2.83Å; L157-C160 VanDerWaalsContact O-N 3.11Å; H158-C160 PolarHBondContact O-N 2.74Å; C160-S162 VanDerWaalsContact C-N 3.3Å; C160-S162 PolarHBondContact O-N 3.33Å; C160-R166 CarbonylContact O-C 3.43Å; C160-R166 VanDerWaalsContact O-CB 3.3Å; C160-R166 WeakPolarHBondContact O-CB 3.38Å; C160-A167 PolarHBondContact O-N 3.23Å; C160-A167 VanDerWaalsContact O-N 3.09Å; C160-L170 HydrophobicContact CB-CB 4.13Å; C160-L170 HydrophobicContact CB-CD2 3.8Å; C160-L170 HydrophobicContact CB-CG 4.42Å
161	F	97.5	Very high	98	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	18.6	-175.6	-88.8	-110.6	0	0	0	114.1	L157 H158 T163 A167 F226 G227 V245 F250 M253	L157-F161 HydrophobicContact CD2-CD2 3.84Å; L157-F161 HydrophobicContact CD2-CE2 3.27Å; L157-F161 HydrophobicContact CD2-CZ 4.03Å; L157-F161 HydrophobicContact CG-CE2 4.15Å; H158-F161 PolarHBondContact O-N 3.41Å; F161-T163 VanDerWaalsContact C-N 3.34Å; F161-A167 HydrophobicContact CD1-CB 4.32Å; F161-A167 HydrophobicContact CD2-CB 4.08Å; F161-A167 HydrophobicContact CE1-CB 4.23Å; F161-A167 HydrophobicContact CE2-CB 3.95Å; F161-A167 HydrophobicContact CG-CB 4.25Å; F161-A167 HydrophobicContact CZ-CB 4.06Å; F161-F226 HydrophobicContact CD1-CD1 4.03Å; F161-F226 HydrophobicContact CD1-CE1 4.08Å; F161-F226 HydrophobicContact CE1-CE1 4.13Å; F161-F226 WeakPolarHBondContact O-CA 3.4Å; F161-G227 PolarHBondContact O-N 3.15Å; F161-V245 HydrophobicContact CB-CG2 4.25Å; F161-V245 HydrophobicContact CD1-CB 4.44Å; F161-V245 HydrophobicContact CD1-CG1 4.19Å; F161-V245 HydrophobicContact CD1-CG2 4.08Å; F161-V245 HydrophobicContact CD2-CG2 3.92Å; F161-V245 HydrophobicContact CE1-CG1 3.82Å; F161-V245 HydrophobicContact CE1-CG2 4.46Å; F161-V245 HydrophobicContact CE2-CG1 4.4Å; F161-V245 HydrophobicContact CE2-CG2 4.34Å; F161-V245 HydrophobicContact CG-CG2 3.8Å; F161-V245 HydrophobicContact CZ-CG1 3.93Å; F161-F250 HydrophobicContact CZ-CB 4.42Å; F161-F250 HydrophobicContact CZ-CD2 4Å; F161-M253 HydrophobicContact CE1-SD 4.42Å
162	S	96.1	Very high	98	Very high	18 Å²	18	21.7 Å²	21.7	13%	0.126	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-36.9	175	59.6	0	0	0	0	112.9	C160 R166 G227	C160-S162 VanDerWaalsContact C-N 3.3Å; C160-S162 PolarHBondContact O-N 3.33Å; S162-R166 VanDerWaalsContact OG-CD 3.3Å; S162-R166 WeakPolarHBondContact OG-CD 3.2Å; S162-G227 WeakPolarHBondContact O-CA 3.29Å; S162-G227 PolarHBondContact O-N 2.86Å; S162-G227 VanDerWaalsContact O-N 3.13Å
163	T	98	Very high	98	Very high	40 Å²	40	22 Å²	22	25%	0.245	12%	0.116	C	C	.	.	S	Bend	trans	-139.2	158.7	176.3	69.7	0	0	0	0	110.3	F161 A165 R166 A167	F161-T163 VanDerWaalsContact C-N 3.34Å; T163-A165 VanDerWaalsContact C-N 3.31Å; T163-A165 PolarHBondContact O-N 3.36Å; T163-R166 PolarHBondContact O-N 3.38Å; T163-R166 PolarHBondContact OG1-N 3.07Å; T163-A167 PolarHBondContact O-N 2.97Å; T163-A167 VanDerWaalsContact O-N 3.14Å
164	E	98.3	Very high	98	Very high	88 Å²	88	22 Å²	22	41%	0.411	12%	0.117	S	C	.	.	H	α-helix	trans	-59.9	-41.9	175.4	-177.4	171.4	178.9	0	0	112	R166 A167 R168 F226	E164-R166 PolarHBondContact O-N 2.92Å; E164-A167 PolarHBondContact O-N 3.28Å; E164-R168 HydrophobicContact CG-CG 4.2Å; E164-R168 WeakPolarHBondContact O-CB 3.37Å; E164-R168 VanDerWaalsContact O-CG 3.3Å; E164-R168 WeakPolarHBondContact O-CG 3.21Å; E164-R168 PolarHBondContact O-N 3.46Å; E164-R168 IonicContact OE1-CZ 3.13Å; E164-R168 IonicContact OE1-NE 3.34Å; E164-R168 PolarHBondContact OE1-NE 3.07Å; E164-R168 IonicContact OE1-NH2 3.51Å; E164-R168 PolarHBondContact OE1-NH2 2.9Å; E164-F226 HydrophobicContact CB-CD1 4.43Å; E164-F226 HydrophobicContact CB-CD2 3.76Å; E164-F226 HydrophobicContact CB-CE1 4.27Å; E164-F226 HydrophobicContact CB-CE2 3.57Å; E164-F226 HydrophobicContact CB-CG 4.19Å; E164-F226 HydrophobicContact CB-CZ 3.84Å; E164-F226 HydrophobicContact CG-CD2 4.43Å; E164-F226 HydrophobicContact CG-CE1 4.46Å; E164-F226 HydrophobicContact CG-CE2 3.74Å; E164-F226 HydrophobicContact CG-CZ 3.74Å
165	A	98.6	Very high	98	Very high	69 Å²	69	21.5 Å²	21.5	57%	0.57	11%	0.114	S	C	*	.	H	α-helix	trans	-58.3	-46.4	-179.8	0	0	0	0	0	111.9	T163 R168 R169	T163-A165 VanDerWaalsContact C-N 3.31Å; T163-A165 PolarHBondContact O-N 3.36Å; A165-R168 PolarHBondContact O-N 3.07Å; A165-R169 PolarHBondContact O-N 3.42Å
166	R	98.1	Very high	98.1	Very high	12 Å²	12	24.7 Å²	24.7	5%	0.045	13%	0.13	C	C	.	.	H	α-helix	trans	-65.2	-45	178.9	-76.9	-178.3	66.2	83.3	8.7	112.7	D131 A133 E134 C160 S162 T163 E164 R168 R169 L170	D131-R166 IonicContact OD1-CZ 3.04Å; D131-R166 IonicContact OD1-NH1 3.81Å; D131-R166 IonicContact OD1-NH2 2.75Å; D131-R166 PolarHBondContact OD1-NH2 2.98Å; D131-R166 IonicContact OD2-CZ 3.99Å; D131-R166 IonicContact OD2-NH1 3.55Å; D131-R166 PolarHBondContact OD2-NH1 3.39Å; D131-R166 IonicContact OD2-NH2 2.77Å; D131-R166 PolarHBondContact OD2-NH2 2.97Å; A133-R166 HydrophobicContact CB-CB 4.01Å; A133-R166 HydrophobicContact CB-CG 4.34Å; A133-R166 VanDerWaalsContact O-CA 3.31Å; A133-R166 WeakPolarHBondContact O-CA 3.28Å; E134-R166 WeakPolarHBondContact OE1-CD 3.35Å; E134-R166 WeakPolarHBondContact OE1-CG 3.31Å; E134-R166 IonicContact OE1-CZ 2.66Å; E134-R166 IonicContact OE1-NE 3.18Å; E134-R166 IonicContact OE1-NH1 3.76Å; E134-R166 PolarHBondContact OE1-NH1 2.95Å; C160-R166 CarbonylContact O-C 3.43Å; C160-R166 VanDerWaalsContact O-CB 3.3Å; C160-R166 WeakPolarHBondContact O-CB 3.38Å; S162-R166 VanDerWaalsContact OG-CD 3.3Å; S162-R166 WeakPolarHBondContact OG-CD 3.2Å; T163-R166 PolarHBondContact O-N 3.38Å; T163-R166 PolarHBondContact OG1-N 3.07Å; E164-R166 PolarHBondContact O-N 2.92Å; R166-R168 VanDerWaalsContact C-N 3.33Å; R166-R168 PolarHBondContact O-N 3Å; R166-R169 PolarHBondContact O-N 3.04Å; R166-L170 PolarHBondContact O-N 3.35Å; R166-L170 VanDerWaalsContact O-N 3.07Å
167	A	98.7	Very high	98.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-59.3	-46.9	175.2	0	0	0	0	0	110.4	C160 F161 T163 E164 R169 L170 L171 F226 M253	C160-A167 PolarHBondContact O-N 3.23Å; C160-A167 VanDerWaalsContact O-N 3.09Å; F161-A167 HydrophobicContact CD1-CB 4.32Å; F161-A167 HydrophobicContact CD2-CB 4.08Å; F161-A167 HydrophobicContact CE1-CB 4.23Å; F161-A167 HydrophobicContact CE2-CB 3.95Å; F161-A167 HydrophobicContact CG-CB 4.25Å; F161-A167 HydrophobicContact CZ-CB 4.06Å; T163-A167 PolarHBondContact O-N 2.97Å; T163-A167 VanDerWaalsContact O-N 3.14Å; E164-A167 PolarHBondContact O-N 3.28Å; A167-R169 PolarHBondContact O-N 3.47Å; A167-L170 PolarHBondContact O-N 3.49Å; A167-L171 VanDerWaalsContact O-CG 3.29Å; A167-L171 WeakPolarHBondContact O-CG 3.44Å; A167-L171 PolarHBondContact O-N 2.86Å; A167-F226 HydrophobicContact CB-CD1 4.12Å; A167-F226 HydrophobicContact CB-CE1 3.7Å; A167-M253 HydrophobicContact CB-CE 3.92Å
168	R	98.6	Very high	98.1	Very high	78 Å²	78	27.7 Å²	27.7	29%	0.294	14%	0.139	S	C	.	.	H	α-helix	trans	-61.8	-43.5	179	-74.9	-176.3	178.9	-71.7	-3.2	112.9	E164 A165 R166 L171 A172 M253 E256	E164-R168 HydrophobicContact CG-CG 4.2Å; E164-R168 WeakPolarHBondContact O-CB 3.37Å; E164-R168 VanDerWaalsContact O-CG 3.3Å; E164-R168 WeakPolarHBondContact O-CG 3.21Å; E164-R168 PolarHBondContact O-N 3.46Å; E164-R168 IonicContact OE1-CZ 3.13Å; E164-R168 IonicContact OE1-NE 3.34Å; E164-R168 PolarHBondContact OE1-NE 3.07Å; E164-R168 IonicContact OE1-NH2 3.51Å; E164-R168 PolarHBondContact OE1-NH2 2.9Å; A165-R168 PolarHBondContact O-N 3.07Å; R166-R168 VanDerWaalsContact C-N 3.33Å; R166-R168 PolarHBondContact O-N 3Å; R168-L171 PolarHBondContact O-N 3Å; R168-A172 VanDerWaalsContact O-CB 3.26Å; R168-A172 WeakPolarHBondContact O-CB 3.49Å; R168-A172 PolarHBondContact O-N 3.2Å; R168-M253 HydrophobicContact CG-CE 3.64Å; R168-E256 IonicContact CZ-OE2 3.35Å; R168-E256 IonicContact NH1-OE2 3.28Å; R168-E256 PolarHBondContact NH1-OE2 3.4Å; R168-E256 IonicContact NH2-OE1 3.26Å; R168-E256 IonicContact NH2-OE2 2.85Å
169	R	98.5	Very high	98.1	Very high	46 Å²	46	31 Å²	31	17%	0.174	15%	0.153	C	C	.	.	H	α-helix	trans	-63	-43.4	177.1	179.2	61	-84.5	168.9	-0.5	112	A133 E135 D136 A165 R166 A167 L171 A172 N173 E176	A133-R169 WeakPolarHBondContact O-CB 3.35Å; E135-R169 WeakPolarHBondContact O-CD 3.3Å; D136-R169 IonicContact OD2-NH1 3.99Å; A165-R169 PolarHBondContact O-N 3.42Å; R166-R169 PolarHBondContact O-N 3.04Å; A167-R169 PolarHBondContact O-N 3.47Å; R169-L171 PolarHBondContact O-N 2.66Å; R169-A172 VanDerWaalsContact NH2-C 3.27Å; R169-A172 PolarHBondContact O-N 3.44Å; R169-N173 PolarHBondContact NE-ND2 3.31Å; R169-N173 PolarHBondContact NE-OD1 2.94Å; R169-N173 PolarHBondContact NH2-OD1 2.87Å; R169-N173 PolarHBondContact O-N 3.43Å; R169-N173 PolarHBondContact O-ND2 3.47Å; R169-E176 IonicContact CZ-OE2 3.52Å; R169-E176 IonicContact NH2-OE2 3.71Å; R169-E176 PolarHBondContact NH2-OE2 3.12Å
170	L	98.7	Very high	98.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.1	-46	175.1	-175.8	80.3	0	0	0	111.4	L70 C132 A133 L157 C160 R166 A167 A172 N173 A174	L70-L170 HydrophobicContact CD1-CD1 4.41Å; C132-L170 HydrophobicContact CB-CD1 3.78Å; C132-L170 VanDerWaalsContact O-CA 3.31Å; C132-L170 WeakPolarHBondContact O-CA 3.29Å; A133-L170 HydrophobicContact CB-CB 4.4Å; L157-L170 HydrophobicContact CB-CD2 4.17Å; L157-L170 HydrophobicContact CD1-CD2 4.29Å; L157-L170 HydrophobicContact CG-CD2 3.75Å; C160-L170 HydrophobicContact CB-CB 4.13Å; C160-L170 HydrophobicContact CB-CD2 3.8Å; C160-L170 HydrophobicContact CB-CG 4.42Å; R166-L170 PolarHBondContact O-N 3.35Å; R166-L170 VanDerWaalsContact O-N 3.07Å; A167-L170 PolarHBondContact O-N 3.49Å; L170-A172 VanDerWaalsContact C-N 3.34Å; L170-A172 PolarHBondContact O-N 3.3Å; L170-N173 WeakPolarHBondContact O-CB 3.35Å; L170-N173 PolarHBondContact O-N 3.21Å; L170-A174 PolarHBondContact O-N 2.88Å
171	L	98.9	Very high	98.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-67.1	-35.9	-179.8	-62.1	-173.1	0	0	0	112.6	L157 A167 R168 R169 A174 C175 F184 F250 M253 L254 F257	L157-L171 HydrophobicContact CD1-CD2 4.26Å; A167-L171 VanDerWaalsContact O-CG 3.29Å; A167-L171 WeakPolarHBondContact O-CG 3.44Å; A167-L171 PolarHBondContact O-N 2.86Å; R168-L171 PolarHBondContact O-N 3Å; R169-L171 PolarHBondContact O-N 2.66Å; L171-A174 PolarHBondContact O-N 3.41Å; L171-C175 VanDerWaalsContact O-CB 3.28Å; L171-C175 WeakPolarHBondContact O-CB 3.37Å; L171-C175 PolarHBondContact O-N 2.84Å; L171-C175 PolarHBondContact O-SG 3.06Å; L171-F184 HydrophobicContact CD2-CE1 4.25Å; L171-F250 HydrophobicContact CD1-CD2 4.28Å; L171-F250 HydrophobicContact CD1-CE2 4.4Å; L171-F250 HydrophobicContact CD2-CD2 4.27Å; L171-F250 HydrophobicContact CD2-CE2 3.66Å; L171-M253 HydrophobicContact CD1-CB 3.63Å; L171-M253 HydrophobicContact CD1-CE 4.02Å; L171-M253 HydrophobicContact CD1-SD 4.28Å; L171-L254 HydrophobicContact CD1-CD2 4.46Å; L171-L254 HydrophobicContact CD1-CG 4.42Å; L171-L254 HydrophobicContact CD2-CD2 4.15Å; L171-F257 HydrophobicContact CB-CD2 4.33Å; L171-F257 HydrophobicContact CB-CE2 3.82Å; L171-F257 HydrophobicContact CB-CZ 4.4Å
172	A	98.8	Very high	98.1	Very high	7 Å²	7	35.3 Å²	35.3	6%	0.058	19%	0.187	C	C	.	.	H	α-helix	trans	-61.6	-46.7	172.7	0	0	0	0	0	110.8	R168 R169 L170 A174 C175 E176 F257	R168-A172 VanDerWaalsContact O-CB 3.26Å; R168-A172 WeakPolarHBondContact O-CB 3.49Å; R168-A172 PolarHBondContact O-N 3.2Å; R169-A172 VanDerWaalsContact NH2-C 3.27Å; R169-A172 PolarHBondContact O-N 3.44Å; L170-A172 VanDerWaalsContact C-N 3.34Å; L170-A172 PolarHBondContact O-N 3.3Å; A172-A174 VanDerWaalsContact C-N 3.26Å; A172-A174 PolarHBondContact O-N 3.11Å; A172-C175 PolarHBondContact O-N 3.16Å; A172-C175 VanDerWaalsContact O-N 3.16Å; A172-E176 HydrophobicContact CB-CG 4.18Å; A172-E176 VanDerWaalsContact O-CB 3.31Å; A172-E176 WeakPolarHBondContact O-CB 3.48Å; A172-E176 VanDerWaalsContact O-CG 3.31Å; A172-E176 WeakPolarHBondContact O-CG 3.22Å; A172-E176 PolarHBondContact O-N 3.28Å; A172-F257 HydrophobicContact CB-CE1 3.84Å; A172-F257 HydrophobicContact CB-CZ 3.85Å
173	N	98.8	Very high	98.3	Very high	7 Å²	7	34.5 Å²	34.5	4%	0.037	18%	0.181	C	C	.	.	H	α-helix	trans	-58.9	-36.8	173.8	-76.2	-26.8	0	0	0	112.4	L68 L70 C132 E135 I137 R169 L170	L68-N173 WeakPolarHBondContact CD2-O 3.43Å; L70-N173 HydrophobicContact CD2-CB 4.48Å; C132-N173 PolarHBondContact O-ND2 2.98Å; E135-N173 PolarHBondContact O-ND2 3.33Å; I137-N173 HydrophobicContact CD1-CB 4.09Å; I137-N173 HydrophobicContact CG1-CB 4.15Å; I137-N173 PolarHBondContact N-OD1 3.06Å; R169-N173 PolarHBondContact NE-ND2 3.31Å; R169-N173 PolarHBondContact NE-OD1 2.94Å; R169-N173 PolarHBondContact NH2-OD1 2.87Å; R169-N173 PolarHBondContact O-N 3.43Å; R169-N173 PolarHBondContact O-ND2 3.47Å; L170-N173 WeakPolarHBondContact O-CB 3.35Å; L170-N173 PolarHBondContact O-N 3.21Å
174	A	98.8	Very high	98.3	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.008	17%	0.17	C	C	.	.	H	α-helix	trans	-72.8	-32	178.4	0	0	0	0	0	113.8	L70 C151 L170 L171 A172 F184	L70-A174 HydrophobicContact CD1-CB 3.63Å; C151-A174 WeakPolarHBondContact CB-O 3.36Å; L170-A174 PolarHBondContact O-N 2.88Å; L171-A174 PolarHBondContact O-N 3.41Å; A172-A174 VanDerWaalsContact C-N 3.26Å; A172-A174 PolarHBondContact O-N 3.11Å; A174-F184 HydrophobicContact CB-CD1 4.44Å; A174-F184 HydrophobicContact CB-CD2 4.15Å; A174-F184 HydrophobicContact CB-CE1 4.16Å; A174-F184 HydrophobicContact CB-CE2 3.87Å; A174-F184 HydrophobicContact CB-CG 4.44Å; A174-F184 HydrophobicContact CB-CZ 3.85Å
175	C	98.8	Very high	98.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-120.3	-22.9	-161.5	-56.6	0	0	0	0	115.6	L171 A172 L178 L254 F257 M259 K352	L171-C175 VanDerWaalsContact O-CB 3.28Å; L171-C175 WeakPolarHBondContact O-CB 3.37Å; L171-C175 PolarHBondContact O-N 2.84Å; L171-C175 PolarHBondContact O-SG 3.06Å; A172-C175 PolarHBondContact O-N 3.16Å; A172-C175 VanDerWaalsContact O-N 3.16Å; C175-L178 PolarHBondContact O-N 2.98Å; C175-L254 VanDerWaalsContact SG-CD2 3.5Å; C175-F257 HydrophobicContact CB-CB 3.66Å; C175-F257 HydrophobicContact CB-CD1 4.06Å; C175-F257 HydrophobicContact CB-CG 3.87Å; C175-M259 HydrophobicContact CB-CG 4.42Å; C175-M259 HydrophobicContact CB-SD 4.43Å; C175-K352 PolarHBondContact O-NZ 3.35Å
176	E	98.2	Very high	98.3	Very high	103 Å²	103	25.1 Å²	25.1	48%	0.481	12%	0.123	S	C	.	.	S	Bend	trans	-69.1	-39.9	-175.6	-74.3	175	153.1	0	0	112.1	R169 A172 F257	R169-E176 IonicContact CZ-OE2 3.52Å; R169-E176 IonicContact NH2-OE2 3.71Å; R169-E176 PolarHBondContact NH2-OE2 3.12Å; A172-E176 HydrophobicContact CB-CG 4.18Å; A172-E176 VanDerWaalsContact O-CB 3.31Å; A172-E176 WeakPolarHBondContact O-CB 3.48Å; A172-E176 VanDerWaalsContact O-CG 3.31Å; A172-E176 WeakPolarHBondContact O-CG 3.22Å; A172-E176 PolarHBondContact O-N 3.28Å; E176-F257 HydrophobicContact CG-CD1 4.35Å; E176-F257 HydrophobicContact CG-CE1 4.16Å
177	R	98	Very high	98.4	Very high	73 Å²	73	24.5 Å²	24.5	28%	0.275	12%	0.121	S	C	.	.	S	Bend	trans	-93.1	3.8	178.6	-60.6	-64.7	-173.7	144.7	5.6	113.3	F141 A144 Q147 F148	F141-R177 HydrophobicContact CE2-CG 4.19Å; A144-R177 PolarHBondContact O-NH1 3.19Å; A144-R177 PolarHBondContact O-NH2 3.42Å; Q147-R177 CarbonylContact C-O 3.56Å; Q147-R177 VanDerWaalsContact CA-O 3.31Å; Q147-R177 WeakPolarHBondContact CA-O 3.29Å; F148-R177 HydrophobicContact CD2-CB 3.75Å; F148-R177 HydrophobicContact CE2-CB 3.85Å; F148-R177 PolarHBondContact N-O 3.42Å
178	L	98.5	Very high	98.4	Very high	7 Å²	7	24.5 Å²	24.5	4%	0.037	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	123.4	176.7	-168	70.5	0	0	0	109.6	F148 C151 C175 F184 M259 K352	F148-L178 HydrophobicContact CB-CD1 4.13Å; C151-L178 HydrophobicContact CB-CD1 4.32Å; C175-L178 PolarHBondContact O-N 2.98Å; L178-F184 HydrophobicContact CD2-CB 4.32Å; L178-M259 HydrophobicContact CD2-CE 3.59Å; L178-M259 HydrophobicContact CD2-SD 3.99Å; L178-K352 HydrophobicContact CD2-CB 4.13Å; L178-K352 HydrophobicContact CG-CB 4.42Å
179	K	97.3	Very high	98.4	Very high	69 Å²	69	21.1 Å²	21.1	30%	0.3	11%	0.109	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	152.3	179.4	-61.3	176.6	-159.6	158.9	0	110.9	Q147 F148 D149 G181 G182 K352	Q147-K179 HydrophobicContact CB-CD 4.37Å; Q147-K179 HydrophobicContact CB-CG 3.87Å; F148-K179 WeakPolarHBondContact O-CG 3.23Å; F148-K179 PolarHBondContact O-N 2.85Å; D149-K179 VanDerWaalsContact CG-NZ 3.35Å; D149-K179 WeakPolarHBondContact OD1-CD 3.47Å; D149-K179 IonicContact OD1-NZ 3.89Å; D149-K179 PolarHBondContact OD1-NZ 2.87Å; D149-K179 IonicContact OD2-NZ 3.55Å; D149-K179 PolarHBondContact OD2-NZ 3.35Å; K179-G181 PolarHBondContact O-N 2.92Å; K179-G182 WeakPolarHBondContact O-CA 3.48Å; K179-G182 PolarHBondContact O-N 3.42Å; K179-K352 WeakPolarHBondContact O-CB 3.38Å
180	V	96.9	Very high	98.4	Very high	94 Å²	94	19.3 Å²	19.3	57%	0.57	10%	0.102	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-57.7	133.5	166.3	178.8	0	0	0	0	109.2	G182 K352	V180-G182 VanDerWaalsContact C-N 3.26Å; V180-K352 HydrophobicContact CG2-CG 4.46Å
181	G	96.5	Very high	98.3	Very high	26 Å²	26	19.8 Å²	19.8	27%	0.268	11%	0.106	S	C	.	.	E	Extended strand (participates in β ladder)	trans	85.3	-12	-169.5	0	0	0	0	0	114.3	K179 Y183 K352	K179-G181 PolarHBondContact O-N 2.92Å; G181-Y183 WeakPolarHBondContact O-CD2 3.44Å; G181-Y183 WeakPolarHBondContact O-CE2 3.49Å; G181-K352 PolarHBondContact N-O 3.09Å
182	G	97.8	Very high	98.2	Very high	3 Å²	3	24.3 Å²	24.3	3%	0.031	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	165.9	174.7	0	0	0	0	0	113.2	D149 K179 V180 Q351 K352	D149-G182 CarbonylContact O-C 3.59Å; D149-G182 WeakPolarHBondContact O-CA 3.36Å; K179-G182 WeakPolarHBondContact O-CA 3.48Å; K179-G182 PolarHBondContact O-N 3.42Å; V180-G182 VanDerWaalsContact C-N 3.26Å; G182-Q351 CarbonylContact O-C 3.36Å; G182-Q351 WeakPolarHBondContact O-CA 3.42Å; G182-K352 PolarHBondContact O-N 3.48Å
183	Y	98.8	Very high	98.2	Very high	1 Å²	1	25.9 Å²	25.9	0%	0.004	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	143.1	-173	-68.6	-92.8	0	0	0	112.7	R55 I56 E59 D149 L150 C151 G181 V262 M349 F350 Q351	R55-Y183 HydrophobicContact CB-CE1 4.33Å; R55-Y183 HydrophobicContact CB-CE2 3.7Å; R55-Y183 WeakPolarHBondContact CB-OH 3.31Å; I56-Y183 HydrophobicContact CD1-CD2 4.15Å; I56-Y183 HydrophobicContact CG1-CD2 3.57Å; I56-Y183 HydrophobicContact CG1-CE2 3.94Å; E59-Y183 PolarHBondContact OE1-OH 2.8Å; E59-Y183 PolarHBondContact OE2-OH 2.83Å; D149-Y183 PolarHBondContact O-N 2.83Å; L150-Y183 CarbonylContact C-O 3.57Å; L150-Y183 WeakPolarHBondContact CA-O 3.42Å; L150-Y183 WeakPolarHBondContact CD1-O 3.08Å; C151-Y183 PolarHBondContact N-O 3.47Å; G181-Y183 WeakPolarHBondContact O-CD2 3.44Å; G181-Y183 WeakPolarHBondContact O-CE2 3.49Å; Y183-V262 HydrophobicContact CD1-CG2 4.41Å; Y183-V262 HydrophobicContact CE1-CG2 4.07Å; Y183-M349 HydrophobicContact CD1-CG 3.69Å; Y183-M349 HydrophobicContact CD1-SD 3.64Å; Y183-M349 HydrophobicContact CE1-CG 4.36Å; Y183-M349 HydrophobicContact CE1-SD 3.88Å; Y183-F350 CarbonylContact C-O 3.56Å; Y183-F350 VanDerWaalsContact CA-O 3.25Å; Y183-F350 WeakPolarHBondContact CA-O 3.26Å; Y183-Q351 HydrophobicContact CD1-CB 4Å; Y183-Q351 HydrophobicContact CD1-CG 4.3Å; Y183-Q351 HydrophobicContact CE1-CB 3.76Å; Y183-Q351 HydrophobicContact CE1-CG 3.84Å; Y183-Q351 HydrophobicContact CE2-CG 4.47Å; Y183-Q351 PolarHBondContact OH-NE2 2.91Å; Y183-Q351 VanDerWaalsContact OH-NE2 3.12Å
184	F	98.9	Very high	98.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	119.2	165.8	178.4	-142.8	0	0	0	109.4	C151 C153 L157 L171 A174 L178 F250 L254 M259 F348 M349 F350	C151-F184 HydrophobicContact CB-CD2 3.87Å; C151-F184 WeakPolarHBondContact O-CA 3.18Å; C153-F184 HydrophobicContact CB-CE2 3.88Å; C153-F184 HydrophobicContact CB-CZ 4.22Å; L157-F184 HydrophobicContact CD1-CE1 4.19Å; L157-F184 HydrophobicContact CD1-CZ 3.84Å; L171-F184 HydrophobicContact CD2-CE1 4.25Å; A174-F184 HydrophobicContact CB-CD1 4.44Å; A174-F184 HydrophobicContact CB-CD2 4.15Å; A174-F184 HydrophobicContact CB-CE1 4.16Å; A174-F184 HydrophobicContact CB-CE2 3.87Å; A174-F184 HydrophobicContact CB-CG 4.44Å; A174-F184 HydrophobicContact CB-CZ 3.85Å; L178-F184 HydrophobicContact CD2-CB 4.32Å; F184-F250 HydrophobicContact CE1-CE2 4.42Å; F184-F250 HydrophobicContact CE1-CZ 4.2Å; F184-L254 HydrophobicContact CD1-CD1 4.13Å; F184-L254 HydrophobicContact CD1-CD2 3.81Å; F184-L254 HydrophobicContact CE1-CD1 4.29Å; F184-L254 HydrophobicContact CE1-CD2 4.02Å; F184-M259 HydrophobicContact CB-CE 3.6Å; F184-F348 HydrophobicContact CD1-CE2 4.08Å; F184-F348 AromaticContact CE1-CE2 3.94Å; F184-F348 HydrophobicContact CE1-CE2 3.94Å; F184-F348 HydrophobicContact CE1-CZ 4.21Å; F184-F348 HydrophobicContact CG-CE2 4.48Å; F184-F348 HydrophobicContact CZ-CE2 4.21Å; F184-F348 HydrophobicContact CZ-CZ 4.22Å; F184-M349 WeakPolarHBondContact O-CA 3.45Å; F184-F350 PolarHBondContact N-O 3.23Å; F184-F350 PolarHBondContact O-N 3.36Å
185	I	98.9	Very high	98	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	150.4	179.6	61.6	173.7	0	0	0	111.2	T48 I49 A52 L150 C151 S152 C153 F348 M349	T48-I185 HydrophobicContact CG2-CB 3.97Å; T48-I185 HydrophobicContact CG2-CD1 4.04Å; T48-I185 HydrophobicContact CG2-CG2 4.13Å; I49-I185 HydrophobicContact CB-CD1 4.42Å; I49-I185 HydrophobicContact CG1-CD1 3.66Å; A52-I185 HydrophobicContact CB-CD1 4.29Å; A52-I185 HydrophobicContact CB-CG2 4.05Å; L150-I185 HydrophobicContact CD1-CD1 4.02Å; L150-I185 HydrophobicContact CD1-CG1 3.94Å; L150-I185 HydrophobicContact CD1-CG2 4.32Å; L150-I185 HydrophobicContact CD2-CD1 4.44Å; C151-I185 PolarHBondContact O-N 3.49Å; S152-I185 CarbonylContact C-O 3.57Å; S152-I185 WeakPolarHBondContact CA-O 3.39Å; C153-I185 PolarHBondContact N-O 3.25Å; I185-F348 WeakPolarHBondContact CA-O 3.46Å; I185-M349 HydrophobicContact CG2-CB 4.03Å; I185-M349 HydrophobicContact CG2-CE 3.83Å; I185-M349 HydrophobicContact CG2-CG 3.87Å
186	G	98.8	Very high	98	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.3	169.5	175.7	0	0	0	0	0	113.5	C153 T347 F348	C153-G186 WeakPolarHBondContact O-CA 3.45Å; G186-T347 WeakPolarHBondContact O-CA 3.29Å; G186-T347 WeakPolarHBondContact O-CG2 3.33Å; G186-F348 VanDerWaalsContact CA-CZ 3.46Å; G186-F348 VanDerWaalsContact N-CE2 3.35Å; G186-F348 PolarHBondContact N-O 3.23Å; G186-F348 PolarHBondContact O-N 3.25Å
187	T	98.9	Very high	97.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	127.2	177.3	-60.8	0	0	0	0	108.5	C153 Q154 F155 F267 Y345 I346 T347	C153-T187 PolarHBondContact O-N 2.87Å; Q154-T187 VanDerWaalsContact OE1-CB 3.29Å; Q154-T187 PolarHBondContact OE1-OG1 3.41Å; F155-T187 WeakPolarHBondContact CA-O 3Å; F155-T187 HydrophobicContact CD1-CG2 4.02Å; F155-T187 HydrophobicContact CD2-CG2 4.35Å; F155-T187 HydrophobicContact CE1-CG2 3.56Å; F155-T187 HydrophobicContact CE2-CG2 3.92Å; F155-T187 HydrophobicContact CG-CG2 4.41Å; F155-T187 HydrophobicContact CZ-CG2 3.51Å; F155-T187 PolarHBondContact N-O 3.2Å; T187-F267 HydrophobicContact CG2-CE1 3.68Å; T187-F267 HydrophobicContact CG2-CZ 3.68Å; T187-Y345 HydrophobicContact CG2-CD1 4.32Å; T187-I346 VanDerWaalsContact CA-O 3.31Å; T187-I346 WeakPolarHBondContact CA-O 3.17Å; T187-T347 PolarHBondContact OG1-OG1 2.69Å; T187-T347 VanDerWaalsContact OG1-OG1 3.11Å
188	I	98.6	Very high	97.8	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	157.8	-176.3	57.6	175	0	0	0	111.1	L157 V245 F247 F250 Y345 I346 F348	L157-I188 HydrophobicContact CB-CG2 3.78Å; L157-I188 HydrophobicContact CD2-CG2 4.05Å; L157-I188 HydrophobicContact CG-CG2 4.41Å; I188-V245 HydrophobicContact CD1-CB 4.13Å; I188-V245 HydrophobicContact CD1-CG1 3.9Å; I188-F247 HydrophobicContact CD1-CD2 4.28Å; I188-F250 HydrophobicContact CD1-CD1 4.43Å; I188-F250 HydrophobicContact CD1-CE1 4.42Å; I188-Y345 WeakPolarHBondContact O-CA 3.2Å; I188-I346 HydrophobicContact CD1-CD1 4.18Å; I188-I346 HydrophobicContact CG1-CD1 3.96Å; I188-I346 HydrophobicContact CG1-CG1 3.77Å; I188-I346 PolarHBondContact N-O 3.5Å; I188-I346 WeakPolarHBondContact O-CG1 3.4Å; I188-I346 PolarHBondContact O-N 2.67Å; I188-F348 HydrophobicContact CD1-CD1 4.27Å; I188-F348 HydrophobicContact CD1-CE1 4.11Å; I188-F348 HydrophobicContact CG1-CD1 4.23Å; I188-F348 HydrophobicContact CG1-CE1 4.12Å; I188-F348 HydrophobicContact CG2-CE1 4.08Å
189	P	98.4	Very high	97.6	Very high	6 Å²	6	31.7 Å²	31.7	4%	0.039	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	138.8	168.4	-24.8	34.9	0	0	0	112.2	H158 A191 I194 Y230 M344 Y345	H158-P189 WeakPolarHBondContact ND1-CD 3.42Å; P189-A191 PolarHBondContact O-N 3.05Å; P189-A191 VanDerWaalsContact O-N 3.16Å; P189-I194 HydrophobicContact CB-CG1 4.37Å; P189-Y230 WeakPolarHBondContact CB-OH 3.49Å; P189-Y230 WeakPolarHBondContact CG-OH 3.48Å; P189-M344 CarbonylContact C-O 3.58Å; P189-M344 VanDerWaalsContact CA-O 3.29Å; P189-M344 WeakPolarHBondContact CA-O 3.31Å; P189-Y345 HydrophobicContact CB-CE1 4.44Å; P189-Y345 HydrophobicContact CG-CD1 4.27Å; P189-Y345 HydrophobicContact CG-CE1 3.75Å
190	D	98.6	Very high	97.5	Very high	8 Å²	8	33.7 Å²	33.7	4%	0.043	17%	0.172	C	C	.	.			trans	-77.8	94.2	171.2	-172.2	-9.7	0	0	0	109	N192 L193 I194 M344 I346	D190-N192 PolarHBondContact O-N 3.1Å; D190-N192 PolarHBondContact OD1-N 3.12Å; D190-L193 HydrophobicContact CB-CB 4.16Å; D190-L193 PolarHBondContact O-N 3.41Å; D190-I194 WeakPolarHBondContact O-CG1 3.21Å; D190-I194 PolarHBondContact O-N 3.19Å; D190-M344 PolarHBondContact N-O 3.07Å; D190-I346 HydrophobicContact CB-CG2 3.99Å
191	A	97.9	Very high	97.2	Very high	10 Å²	10	30.7 Å²	30.7	8%	0.083	16%	0.155	C	C	.	.	H	α-helix	trans	-51	-34.6	-179.1	0	0	0	0	0	113.2	P189 I194 V195 L244 V245	P189-A191 PolarHBondContact O-N 3.05Å; P189-A191 VanDerWaalsContact O-N 3.16Å; A191-I194 PolarHBondContact O-N 2.91Å; A191-V195 WeakPolarHBondContact O-CB 3.37Å; A191-V195 WeakPolarHBondContact O-CG2 3.43Å; A191-V195 PolarHBondContact O-N 3.47Å; A191-L244 HydrophobicContact CB-CB 4.14Å; A191-L244 HydrophobicContact CB-CD2 3.96Å; A191-V245 VanDerWaalsContact CB-O 3.29Å; A191-V245 WeakPolarHBondContact CB-O 3.46Å
192	N	96.8	Very high	96.8	Very high	96 Å²	96	35.5 Å²	35.5	51%	0.513	18%	0.182	S	C	.	.	H	α-helix	trans	-68.1	-39.9	179.1	-70.5	-21.3	0	0	0	111.8	D190 R196	D190-N192 PolarHBondContact O-N 3.1Å; D190-N192 PolarHBondContact OD1-N 3.12Å; N192-R196 WeakPolarHBondContact O-CB 3.16Å; N192-R196 PolarHBondContact O-N 3.39Å
193	L	97.6	Very high	96.5	Very high	39 Å²	39	40.1 Å²	40.1	20%	0.204	21%	0.206	C	C	.	.	H	α-helix	trans	-70.8	-42.2	176.7	-177.2	57.6	0	0	0	110.9	D190 V195 R196 L197 C343 M344	D190-L193 HydrophobicContact CB-CB 4.16Å; D190-L193 PolarHBondContact O-N 3.41Å; L193-V195 PolarHBondContact O-N 3.3Å; L193-R196 WeakPolarHBondContact O-CB 3.39Å; L193-R196 PolarHBondContact O-N 2.99Å; L193-L197 HydrophobicContact CD1-CD1 4.47Å; L193-L197 HydrophobicContact CD1-CG 4.23Å; L193-L197 HydrophobicContact CG-CD1 4.17Å; L193-L197 HydrophobicContact CG-CG 4.4Å; L193-L197 WeakPolarHBondContact O-CG 3.38Å; L193-L197 PolarHBondContact O-N 2.72Å; L193-C343 HydrophobicContact CD2-CB 4.17Å; L193-C343 WeakPolarHBondContact CD2-O 3.37Å; L193-M344 HydrophobicContact CD2-CG 4.45Å
194	I	97.6	Very high	96.3	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-58.4	-50.1	176.4	-61.9	-59.7	0	0	0	110.8	P189 D190 A191 R196 L197 L198 L213 Y230 L244 M344	P189-I194 HydrophobicContact CB-CG1 4.37Å; D190-I194 WeakPolarHBondContact O-CG1 3.21Å; D190-I194 PolarHBondContact O-N 3.19Å; A191-I194 PolarHBondContact O-N 2.91Å; I194-R196 VanDerWaalsContact C-N 3.29Å; I194-R196 PolarHBondContact O-N 3.16Å; I194-L197 PolarHBondContact O-N 2.57Å; I194-L198 HydrophobicContact CG2-CD1 3.73Å; I194-L198 HydrophobicContact CG2-CG 4.33Å; I194-L198 WeakPolarHBondContact O-CB 3.42Å; I194-L198 VanDerWaalsContact O-CG 3.25Å; I194-L198 WeakPolarHBondContact O-CG 3.47Å; I194-L198 PolarHBondContact O-N 2.98Å; I194-L213 HydrophobicContact CD1-CD1 3.58Å; I194-L213 HydrophobicContact CD1-CD2 3.91Å; I194-L213 HydrophobicContact CD1-CG 4.41Å; I194-L213 HydrophobicContact CG2-CD1 4.43Å; I194-L213 HydrophobicContact CG2-CD2 4.35Å; I194-Y230 HydrophobicContact CG2-CD1 4.37Å; I194-Y230 HydrophobicContact CG2-CD2 4.29Å; I194-Y230 HydrophobicContact CG2-CE1 4.42Å; I194-Y230 HydrophobicContact CG2-CE2 4.34Å; I194-Y230 HydrophobicContact CG2-CG 4.3Å; I194-L244 HydrophobicContact CB-CD2 4Å; I194-L244 HydrophobicContact CG2-CD2 3.75Å; I194-M344 HydrophobicContact CD1-CB 4.03Å; I194-M344 HydrophobicContact CD1-CG 3.95Å; I194-M344 HydrophobicContact CD1-SD 3.87Å
195	V	97.1	Very high	96.1	Very high	13 Å²	13	45.5 Å²	45.5	8%	0.079	23%	0.23	C	C	.	.	H	α-helix	trans	-60.8	-39.8	177.9	171.2	0	0	0	0	111.5	A191 L193 L198 R199 L223 L244	A191-V195 WeakPolarHBondContact O-CB 3.37Å; A191-V195 WeakPolarHBondContact O-CG2 3.43Å; A191-V195 PolarHBondContact O-N 3.47Å; L193-V195 PolarHBondContact O-N 3.3Å; V195-L198 PolarHBondContact O-N 3.39Å; V195-R199 HydrophobicContact CG1-CG 4.35Å; V195-R199 WeakPolarHBondContact O-CB 3.17Å; V195-R199 WeakPolarHBondContact O-CG 3.35Å; V195-R199 PolarHBondContact O-N 2.95Å; V195-L223 HydrophobicContact CB-CD1 4.42Å; V195-L223 HydrophobicContact CG1-CD1 3.98Å; V195-L223 HydrophobicContact CG2-CD1 3.49Å; V195-L223 VanDerWaalsContact CG2-CD1 3.49Å; V195-L244 HydrophobicContact CG2-CD1 3.46Å; V195-L244 VanDerWaalsContact CG2-CD1 3.46Å; V195-L244 HydrophobicContact CG2-CD2 4.15Å; V195-L244 HydrophobicContact CG2-CG 4.47Å
196	R	96.9	Very high	96	Very high	161 Å²	161	47.1 Å²	47.1	61%	0.608	24%	0.237	S	C	*	.	H	α-helix	trans	-60.5	-52.1	175	177.9	-179	173	175.8	0.8	111.4	N192 L193 I194 L198 R199 D200	N192-R196 WeakPolarHBondContact O-CB 3.16Å; N192-R196 PolarHBondContact O-N 3.39Å; L193-R196 WeakPolarHBondContact O-CB 3.39Å; L193-R196 PolarHBondContact O-N 2.99Å; I194-R196 VanDerWaalsContact C-N 3.29Å; I194-R196 PolarHBondContact O-N 3.16Å; R196-L198 VanDerWaalsContact C-N 3.27Å; R196-L198 PolarHBondContact O-N 3.45Å; R196-R199 PolarHBondContact O-N 3.05Å; R196-R199 VanDerWaalsContact O-N 3.08Å; R196-D200 IonicContact NE-OD2 2.95Å; R196-D200 WeakPolarHBondContact O-CB 3.39Å; R196-D200 PolarHBondContact O-N 3.43Å
197	L	96.6	Very high	95.9	Very high	34 Å²	34	50.4 Å²	50.4	18%	0.178	27%	0.265	C	S	.	.	H	α-helix	trans	-57.9	-41.8	179.7	-69.3	172.3	0	0	0	111.7	L193 I194 D200 F206 L213 M344	L193-L197 HydrophobicContact CD1-CD1 4.47Å; L193-L197 HydrophobicContact CD1-CG 4.23Å; L193-L197 HydrophobicContact CG-CD1 4.17Å; L193-L197 HydrophobicContact CG-CG 4.4Å; L193-L197 WeakPolarHBondContact O-CG 3.38Å; L193-L197 PolarHBondContact O-N 2.72Å; I194-L197 PolarHBondContact O-N 2.57Å; L197-D200 PolarHBondContact O-N 2.97Å; L197-F206 HydrophobicContact CB-CB 4.13Å; L197-F206 HydrophobicContact CB-CD2 4.44Å; L197-F206 HydrophobicContact CB-CG 4.36Å; L197-F206 HydrophobicContact CD1-CD2 4.44Å; L197-F206 HydrophobicContact CD1-CG 4.38Å; L197-F206 HydrophobicContact CD2-CD2 3.92Å; L197-F206 HydrophobicContact CD2-CE2 4.18Å; L197-L213 HydrophobicContact CD1-CD1 4.1Å; L197-M344 HydrophobicContact CD1-CE 3.6Å; L197-M344 HydrophobicContact CD1-CG 4.3Å; L197-M344 HydrophobicContact CD1-SD 4.45Å
198	L	96.2	Very high	95.8	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-68.9	-33.1	176.8	-66.8	171.3	0	0	0	112.5	I194 V195 R196 R204 L213 F215 I220	I194-L198 HydrophobicContact CG2-CD1 3.73Å; I194-L198 HydrophobicContact CG2-CG 4.33Å; I194-L198 WeakPolarHBondContact O-CB 3.42Å; I194-L198 VanDerWaalsContact O-CG 3.25Å; I194-L198 WeakPolarHBondContact O-CG 3.47Å; I194-L198 PolarHBondContact O-N 2.98Å; V195-L198 PolarHBondContact O-N 3.39Å; R196-L198 VanDerWaalsContact C-N 3.27Å; R196-L198 PolarHBondContact O-N 3.45Å; L198-R204 WeakPolarHBondContact CD2-O 3.38Å; L198-R204 VanDerWaalsContact O-CA 3.28Å; L198-R204 WeakPolarHBondContact O-CA 3.42Å; L198-R204 WeakPolarHBondContact O-CD 3.46Å; L198-L213 HydrophobicContact CD2-CB 3.9Å; L198-F215 HydrophobicContact CD1-CB 4.24Å; L198-F215 HydrophobicContact CD1-CD2 4.34Å; L198-F215 HydrophobicContact CD2-CB 4.34Å; L198-I220 HydrophobicContact CB-CD1 3.41Å; L198-I220 VanDerWaalsContact CB-CD1 3.41Å; L198-I220 HydrophobicContact CD1-CD1 4.47Å
199	R	95.3	Very high	95.6	Very high	103 Å²	103	57.5 Å²	57.5	39%	0.389	30%	0.299	S	S	.	.	H	α-helix	trans	-74.5	-30.3	175.6	-78.7	-178.9	175	145.8	9.6	113.1	V195 R196 S201 R204 I220 D221	V195-R199 HydrophobicContact CG1-CG 4.35Å; V195-R199 WeakPolarHBondContact O-CB 3.17Å; V195-R199 WeakPolarHBondContact O-CG 3.35Å; V195-R199 PolarHBondContact O-N 2.95Å; R196-R199 PolarHBondContact O-N 3.05Å; R196-R199 VanDerWaalsContact O-N 3.08Å; R199-S201 PolarHBondContact O-N 2.84Å; R199-R204 PolarHBondContact O-NH1 3.31Å; R199-I220 HydrophobicContact CG-CD1 3.79Å; R199-I220 HydrophobicContact CG-CG1 4.07Å; R199-I220 HydrophobicContact CG-CG2 4.22Å; R199-I220 PolarHBondContact NH2-O 3.33Å; R199-D221 IonicContact CZ-OD1 3.58Å; R199-D221 IonicContact NE-OD1 3.86Å; R199-D221 PolarHBondContact NE-OD1 2.9Å; R199-D221 IonicContact NH2-OD1 3.81Å; R199-D221 PolarHBondContact NH2-OD1 3.31Å
200	D	94.5	Very high	95.5	Very high	111 Å²	111	57.4 Å²	57.4	59%	0.594	30%	0.298	S	S	*	.	S	Bend	trans	-69.8	-12.2	-177.1	-72.7	-10.2	0	0	0	112.8	R196 L197	R196-D200 IonicContact NE-OD2 2.95Å; R196-D200 WeakPolarHBondContact O-CB 3.39Å; R196-D200 PolarHBondContact O-N 3.43Å; L197-D200 PolarHBondContact O-N 2.97Å
201	S	91.2	Very high	95.5	Very high	32 Å²	32	57.1 Å²	57.1	22%	0.224	30%	0.297	C	S	.	.	S	Bend	trans	-112.3	140.3	174.3	-167.9	0	0	0	0	113.1	R199 D203 R204 S205	R199-S201 PolarHBondContact O-N 2.84Å; S201-D203 VanDerWaalsContact C-N 3.29Å; S201-D203 VanDerWaalsContact CB-OD1 3.32Å; S201-D203 WeakPolarHBondContact CB-OD1 3.19Å; S201-D203 PolarHBondContact O-N 3.28Å; S201-D203 PolarHBondContact OG-OD1 3.32Å; S201-R204 PolarHBondContact O-N 3.41Å; S201-R204 PolarHBondContact O-NH1 3.12Å; S201-S205 WeakPolarHBondContact CB-O 3.49Å
202	P	88.2	Confident	95.5	Very high	126 Å²	126	58.1 Å²	58.1	82%	0.818	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-34.9	176.3	-24.3	33.9	0	0	0	114.3	R204	P202-R204 PolarHBondContact O-N 2.79Å
203	D	91.4	Very high	95.5	Very high	100 Å²	100	53.7 Å²	53.7	54%	0.535	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	6.5	-179.1	73.1	-24.4	0	0	0	113.4	S201 S205	S201-D203 VanDerWaalsContact C-N 3.29Å; S201-D203 VanDerWaalsContact CB-OD1 3.32Å; S201-D203 WeakPolarHBondContact CB-OD1 3.19Å; S201-D203 PolarHBondContact O-N 3.28Å; S201-D203 PolarHBondContact OG-OD1 3.32Å; D203-S205 VanDerWaalsContact C-N 3.28Å; D203-S205 PolarHBondContact O-N 2.92Å; D203-S205 PolarHBondContact OD1-N 3.26Å; D203-S205 PolarHBondContact OD1-OG 3.23Å; D203-S205 WeakPolarHBondContact OD2-CB 3.42Å; D203-S205 PolarHBondContact OD2-OG 3.05Å
204	R	93	Very high	95.4	Very high	88 Å²	88	60.1 Å²	60.1	33%	0.332	30%	0.301	S	S	.	.	S	Bend	trans	54.5	44.4	-177.6	-48.3	-54.2	-175.8	-160.7	7.1	112.8	L198 R199 S201 P202 F215	L198-R204 WeakPolarHBondContact CD2-O 3.38Å; L198-R204 VanDerWaalsContact O-CA 3.28Å; L198-R204 WeakPolarHBondContact O-CA 3.42Å; L198-R204 WeakPolarHBondContact O-CD 3.46Å; R199-R204 PolarHBondContact O-NH1 3.31Å; S201-R204 PolarHBondContact O-N 3.41Å; S201-R204 PolarHBondContact O-NH1 3.12Å; P202-R204 PolarHBondContact O-N 2.79Å; R204-F215 HydrophobicContact CB-CB 3.85Å; R204-F215 PolarHBondContact O-N 3.34Å
205	S	95.2	Very high	95.3	Very high	27 Å²	27	61.3 Å²	61.3	19%	0.189	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	161.1	178	88.9	0	0	0	0	112.4	S201 D203 L213	S201-S205 WeakPolarHBondContact CB-O 3.49Å; D203-S205 VanDerWaalsContact C-N 3.28Å; D203-S205 PolarHBondContact O-N 2.92Å; D203-S205 PolarHBondContact OD1-N 3.26Å; D203-S205 PolarHBondContact OD1-OG 3.23Å; D203-S205 WeakPolarHBondContact OD2-CB 3.42Å; D203-S205 PolarHBondContact OD2-OG 3.05Å; S205-L213 CarbonylContact C-O 3.55Å; S205-L213 WeakPolarHBondContact CA-O 3.37Å; S205-L213 WeakPolarHBondContact CB-O 3.34Å
206	F	96.9	Very high	95	Very high	33 Å²	33	63.8 Å²	63.8	15%	0.145	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	140	166	164.5	-86.3	0	0	0	107.4	L197 N208 S212 L213 E340 M344	L197-F206 HydrophobicContact CB-CB 4.13Å; L197-F206 HydrophobicContact CB-CD2 4.44Å; L197-F206 HydrophobicContact CB-CG 4.36Å; L197-F206 HydrophobicContact CD1-CD2 4.44Å; L197-F206 HydrophobicContact CD1-CG 4.38Å; L197-F206 HydrophobicContact CD2-CD2 3.92Å; L197-F206 HydrophobicContact CD2-CE2 4.18Å; F206-N208 HydrophobicContact CZ-CB 4.42Å; F206-S212 CarbonylContact O-C 3.5Å; F206-S212 VanDerWaalsContact O-CA 3.25Å; F206-S212 WeakPolarHBondContact O-CA 3.41Å; F206-L213 HydrophobicContact CB-CB 4.23Å; F206-L213 HydrophobicContact CB-CD1 4.2Å; F206-L213 HydrophobicContact CD1-CD1 3.99Å; F206-L213 HydrophobicContact CD1-CG 4.41Å; F206-L213 HydrophobicContact CG-CD1 4.39Å; F206-L213 PolarHBondContact N-O 3.13Å; F206-L213 PolarHBondContact O-N 3.49Å; F206-E340 HydrophobicContact CZ-CB 4.16Å; F206-M344 HydrophobicContact CD1-CE 3.75Å; F206-M344 HydrophobicContact CE1-CE 3.35Å; F206-M344 HydrophobicContact CZ-CE 3.96Å
207	A	97	Very high	94.5	Very high	70 Å²	70	57.9 Å²	57.9	58%	0.579	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.8	144.2	174.4	0	0	0	0	0	111.6	S211	A207-S211 WeakPolarHBondContact CA-O 3.47Å
208	N	96	Very high	93.9	Very high	30 Å²	30	66.1 Å²	66.1	16%	0.16	36%	0.355	C	S	.	.			trans	-134.6	-171.5	163.7	67.9	24.1	0	0	0	109.1	F206 I210 S211 D337 E340	F206-N208 HydrophobicContact CZ-CB 4.42Å; N208-I210 PolarHBondContact O-N 3Å; N208-I210 WeakPolarHBondContact OD1-CG1 3.43Å; N208-I210 PolarHBondContact OD1-N 3.29Å; N208-S211 PolarHBondContact N-O 2.87Å; N208-S211 PolarHBondContact OD1-N 3.05Å; N208-S211 PolarHBondContact OD1-O 3.03Å; N208-D337 HydrophobicContact CB-CB 4.18Å; N208-D337 WeakPolarHBondContact ND2-CA 3.46Å; N208-D337 PolarHBondContact ND2-O 2.81Å; N208-E340 PolarHBondContact ND2-OE2 3.12Å
209	E	95.8	Very high	93.6	Very high	118 Å²	118	68.9 Å²	68.9	55%	0.551	37%	0.369	S	S	*	.	S	Bend	trans	-65.7	-21.8	-173.6	-60.6	-178.9	174.4	0	0	114	R33 D337	R33-E209 IonicContact NH2-OE2 3.58Å; E209-D337 WeakPolarHBondContact CB-OD2 3.07Å; E209-D337 WeakPolarHBondContact CG-OD2 3.32Å
210	I	96.5	Very high	93.3	Very high	4 Å²	4	64.3 Å²	64.3	2%	0.021	35%	0.352	C	S	.	.	S	Bend	trans	-114.1	-12.8	-173.5	71	171.8	0	0	0	113.3	R33 I34 L37 N208 L234 Y235 D337 E338 V341	R33-I210 HydrophobicContact CG-CG2 3.51Å; I34-I210 HydrophobicContact CG2-CB 3.91Å; I34-I210 HydrophobicContact CG2-CD1 3.82Å; I34-I210 HydrophobicContact CG2-CG1 4.41Å; I34-I210 HydrophobicContact CG2-CG2 4.07Å; L37-I210 HydrophobicContact CD2-CD1 4.15Å; N208-I210 PolarHBondContact O-N 3Å; N208-I210 WeakPolarHBondContact OD1-CG1 3.43Å; N208-I210 PolarHBondContact OD1-N 3.29Å; I210-L234 WeakPolarHBondContact O-CA 3.29Å; I210-Y235 WeakPolarHBondContact O-CB 3.34Å; I210-Y235 PolarHBondContact O-N 3.31Å; I210-D337 HydrophobicContact CD1-CB 4.18Å; I210-D337 HydrophobicContact CG1-CB 4.04Å; I210-E338 HydrophobicContact CD1-CB 4.21Å; I210-E338 HydrophobicContact CD1-CG 3.71Å; I210-V341 HydrophobicContact CD1-CB 4.48Å; I210-V341 HydrophobicContact CD1-CG2 3.87Å; I210-V341 HydrophobicContact CG1-CG2 4Å
211	S	97.4	Very high	93.1	Very high	3 Å²	3	63.7 Å²	63.7	2%	0.021	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	148.5	-172.9	-175.3	0	0	0	0	112.9	A207 N208 F232 R233 V341	A207-S211 WeakPolarHBondContact CA-O 3.47Å; N208-S211 PolarHBondContact N-O 2.87Å; N208-S211 PolarHBondContact OD1-N 3.05Å; N208-S211 PolarHBondContact OD1-O 3.03Å; S211-F232 WeakPolarHBondContact OG-CE2 3.39Å; S211-R233 WeakPolarHBondContact CA-O 3.45Å; S211-R233 WeakPolarHBondContact CB-O 3.31Å; S211-R233 PolarHBondContact OG-O 2.89Å; S211-V341 VanDerWaalsContact CB-CG2 3.45Å
212	S	97.7	Very high	93.2	Very high	31 Å²	31	69.7 Å²	69.7	22%	0.217	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	146.7	168.3	64.1	0	0	0	0	112.1	F206 F232 R233	F206-S212 CarbonylContact O-C 3.5Å; F206-S212 VanDerWaalsContact O-CA 3.25Å; F206-S212 WeakPolarHBondContact O-CA 3.41Å; S212-F232 WeakPolarHBondContact O-CA 3.13Å; S212-R233 PolarHBondContact N-O 2.78Å; S212-R233 PolarHBondContact O-N 3.23Å; S212-R233 WeakPolarHBondContact OG-CB 3.41Å
213	L	96.9	Very high	93.6	Very high	2 Å²	2	66.2 Å²	66.2	1%	0.01	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	134.6	173.1	-65.1	164	0	0	0	107.7	I194 L197 L198 S205 F206 Y230 H231 F232 M344	I194-L213 HydrophobicContact CD1-CD1 3.58Å; I194-L213 HydrophobicContact CD1-CD2 3.91Å; I194-L213 HydrophobicContact CD1-CG 4.41Å; I194-L213 HydrophobicContact CG2-CD1 4.43Å; I194-L213 HydrophobicContact CG2-CD2 4.35Å; L197-L213 HydrophobicContact CD1-CD1 4.1Å; L198-L213 HydrophobicContact CD2-CB 3.9Å; S205-L213 CarbonylContact C-O 3.55Å; S205-L213 WeakPolarHBondContact CA-O 3.37Å; S205-L213 WeakPolarHBondContact CB-O 3.34Å; F206-L213 HydrophobicContact CB-CB 4.23Å; F206-L213 HydrophobicContact CB-CD1 4.2Å; F206-L213 HydrophobicContact CD1-CD1 3.99Å; F206-L213 HydrophobicContact CD1-CG 4.41Å; F206-L213 HydrophobicContact CG-CD1 4.39Å; F206-L213 PolarHBondContact N-O 3.13Å; F206-L213 PolarHBondContact O-N 3.49Å; L213-Y230 HydrophobicContact CD2-CD2 3.61Å; L213-Y230 HydrophobicContact CD2-CE2 3.73Å; L213-H231 WeakPolarHBondContact CA-O 3.4Å; L213-F232 HydrophobicContact CD2-CB 4.28Å; L213-F232 HydrophobicContact CD2-CD2 3.43Å; L213-F232 VanDerWaalsContact CD2-CD2 3.43Å; L213-F232 HydrophobicContact CD2-CE2 4.15Å; L213-F232 HydrophobicContact CD2-CG 4.25Å; L213-F232 HydrophobicContact CG-CD2 4.17Å; L213-M344 HydrophobicContact CD1-CE 3.95Å; L213-M344 HydrophobicContact CD1-SD 3.91Å
214	R	96.4	Very high	93.8	Very high	175 Å²	175	65 Å²	65	66%	0.66	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.8	127.7	170.2	-174.6	178.8	-180	-170.7	-0.4	109.5	A216 Y230 H231	R214-A216 PolarHBondContact O-N 3.22Å; R214-Y230 CarbonylContact O-C 3.58Å; R214-Y230 WeakPolarHBondContact O-CA 3.44Å; R214-H231 HydrophobicContact CB-CB 4.46Å; R214-H231 PolarHBondContact N-O 2.91Å; R214-H231 PolarHBondContact O-N 3.24Å
215	F	94.5	Very high	94	Very high	26 Å²	26	65.1 Å²	65.1	11%	0.114	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	134.6	174.9	-172	-121.1	0	0	0	110.2	L198 R204 G217 I220 L223	L198-F215 HydrophobicContact CD1-CB 4.24Å; L198-F215 HydrophobicContact CD1-CD2 4.34Å; L198-F215 HydrophobicContact CD2-CB 4.34Å; R204-F215 HydrophobicContact CB-CB 3.85Å; R204-F215 PolarHBondContact O-N 3.34Å; F215-G217 WeakPolarHBondContact CD1-O 3.36Å; F215-G217 VanDerWaalsContact CE1-CA 3.48Å; F215-G217 WeakPolarHBondContact CE1-O 3.19Å; F215-I220 HydrophobicContact CD1-CB 4.1Å; F215-I220 HydrophobicContact CE1-CB 3.89Å; F215-I220 HydrophobicContact CG-CD1 4.42Å; F215-I220 HydrophobicContact CZ-CB 4.19Å; F215-L223 HydrophobicContact CE2-CD2 3.6Å; F215-L223 HydrophobicContact CZ-CD2 3.71Å
216	A	92.2	Very high	94.1	Very high	65 Å²	65	65.5 Å²	65.5	54%	0.537	35%	0.348	S	S	.	.			trans	-115.1	3.1	-178.9	0	0	0	0	0	113.1	R214 T229	R214-A216 PolarHBondContact O-N 3.22Å; A216-T229 HydrophobicContact CB-CG2 4.03Å; A216-T229 PolarHBondContact N-O 2.89Å
217	G	85.7	Confident	94.1	Very high	37 Å²	37	65.2 Å²	65.2	38%	0.381	35%	0.354	S	S	.	.	S	Bend	trans	-91.8	175.7	173.7	0	0	0	0	0	113.2	F215	F215-G217 WeakPolarHBondContact CD1-O 3.36Å; F215-G217 VanDerWaalsContact CE1-CA 3.48Å; F215-G217 WeakPolarHBondContact CE1-O 3.19Å
218	E	83.6	Confident	94.1	Very high	208 Å²	208	62 Å²	62	97%	0.972	33%	0.328	S	S	*	.	S	Bend	trans	-77.6	-47.5	-179.1	-61.1	-176.5	165.3	0	0	113
219	D	89.7	Confident	94.1	Very high	58 Å²	58	62.1 Å²	62.1	31%	0.31	33%	0.33	S	S	.	.			trans	-134.5	108.8	-172.9	-173.2	-12.5	0	0	0	110.5	D221 K222	D219-D221 PolarHBondContact O-N 3.38Å; D219-D221 WeakPolarHBondContact OD1-CA 3.48Å; D219-D221 WeakPolarHBondContact OD1-CB 3.2Å; D219-D221 PolarHBondContact OD1-N 3.17Å; D219-K222 HydrophobicContact CB-CB 4.18Å; D219-K222 CarbonylContact O-C 3.46Å; D219-K222 PolarHBondContact O-N 3.22Å; D219-K222 VanDerWaalsContact O-N 3.13Å; D219-K222 VanDerWaalsContact OD2-CD 3.24Å; D219-K222 WeakPolarHBondContact OD2-CD 3.32Å; D219-K222 VanDerWaalsContact OD2-CE 3.31Å; D219-K222 WeakPolarHBondContact OD2-CE 3.32Å; D219-K222 WeakPolarHBondContact OD2-CG 3.3Å; D219-K222 IonicContact OD2-NZ 2.71Å; D219-K222 PolarHBondContact OD2-NZ 3.26Å
220	I	90.5	Very high	94.1	Very high	6 Å²	6	56.6 Å²	56.6	3%	0.031	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-15.6	179.7	-164.7	165.9	0	0	0	112.9	L198 R199 F215 L223	L198-I220 HydrophobicContact CB-CD1 3.41Å; L198-I220 VanDerWaalsContact CB-CD1 3.41Å; L198-I220 HydrophobicContact CD1-CD1 4.47Å; R199-I220 HydrophobicContact CG-CD1 3.79Å; R199-I220 HydrophobicContact CG-CG1 4.07Å; R199-I220 HydrophobicContact CG-CG2 4.22Å; R199-I220 PolarHBondContact NH2-O 3.33Å; F215-I220 HydrophobicContact CD1-CB 4.1Å; F215-I220 HydrophobicContact CE1-CB 3.89Å; F215-I220 HydrophobicContact CG-CD1 4.42Å; F215-I220 HydrophobicContact CZ-CB 4.19Å; I220-L223 HydrophobicContact CG1-CD2 4.43Å; I220-L223 WeakPolarHBondContact O-CG 3.45Å
221	D	90.2	Very high	94.1	Very high	99 Å²	99	59.5 Å²	59.5	53%	0.529	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-6.6	177.8	-61.3	-41	0	0	0	112	R199 D219	R199-D221 IonicContact CZ-OD1 3.58Å; R199-D221 IonicContact NE-OD1 3.86Å; R199-D221 PolarHBondContact NE-OD1 2.9Å; R199-D221 IonicContact NH2-OD1 3.81Å; R199-D221 PolarHBondContact NH2-OD1 3.31Å; D219-D221 PolarHBondContact O-N 3.38Å; D219-D221 WeakPolarHBondContact OD1-CA 3.48Å; D219-D221 WeakPolarHBondContact OD1-CB 3.2Å; D219-D221 PolarHBondContact OD1-N 3.17Å
222	K	93.2	Very high	94	Very high	157 Å²	157	59.4 Å²	59.4	68%	0.683	32%	0.317	S	S	*	.	S	Bend	trans	-126.8	63	174.1	-62.1	179	-165.2	146.7	0	111.5	D219	D219-K222 HydrophobicContact CB-CB 4.18Å; D219-K222 CarbonylContact O-C 3.46Å; D219-K222 PolarHBondContact O-N 3.22Å; D219-K222 VanDerWaalsContact O-N 3.13Å; D219-K222 VanDerWaalsContact OD2-CD 3.24Å; D219-K222 WeakPolarHBondContact OD2-CD 3.32Å; D219-K222 VanDerWaalsContact OD2-CE 3.31Å; D219-K222 WeakPolarHBondContact OD2-CE 3.32Å; D219-K222 WeakPolarHBondContact OD2-CG 3.3Å; D219-K222 IonicContact OD2-NZ 2.71Å; D219-K222 PolarHBondContact OD2-NZ 3.26Å
223	L	95.5	Very high	93.9	Very high	54 Å²	54	63.8 Å²	63.8	28%	0.283	33%	0.329	S	S	.	.			trans	-72.3	125.3	-179.2	-61	169.8	0	0	0	111.2	V195 F215 I220 A228 L244	V195-L223 HydrophobicContact CB-CD1 4.42Å; V195-L223 HydrophobicContact CG1-CD1 3.98Å; V195-L223 HydrophobicContact CG2-CD1 3.49Å; V195-L223 VanDerWaalsContact CG2-CD1 3.49Å; F215-L223 HydrophobicContact CE2-CD2 3.6Å; F215-L223 HydrophobicContact CZ-CD2 3.71Å; I220-L223 HydrophobicContact CG1-CD2 4.43Å; I220-L223 WeakPolarHBondContact O-CG 3.45Å; L223-A228 HydrophobicContact CD2-CB 4.46Å; L223-L244 HydrophobicContact CD1-CD1 3.96Å; L223-L244 HydrophobicContact CD2-CD1 4.1Å
224	P	96.4	Very high	93.9	Very high	73 Å²	73	64.2 Å²	64.2	47%	0.474	33%	0.331	S	S	.	.			trans	-69.8	155.3	171.1	31.5	-35.8	0	0	0	110.6	F226 A228	P224-F226 WeakPolarHBondContact CB-O 3.35Å; P224-F226 WeakPolarHBondContact CG-O 3.3Å; P224-F226 PolarHBondContact O-N 2.85Å; P224-A228 HydrophobicContact CG-CB 4.01Å; P224-A228 WeakPolarHBondContact O-CB 3.12Å
225	L	97.4	Very high	93.7	Very high	92 Å²	92	60.8 Å²	60.8	48%	0.482	32%	0.319	S	S	.	.	S	Bend	trans	-67.9	-25.2	178.9	-72.9	-177.8	0	0	0	113.5	Y246 L249	L225-Y246 HydrophobicContact CD2-CD1 4.03Å; L225-L249 HydrophobicContact CB-CD2 3.75Å; L225-L249 HydrophobicContact CD1-CD2 4.27Å; L225-L249 HydrophobicContact CD2-CD2 4.14Å; L225-L249 HydrophobicContact CG-CD2 4.25Å
226	F	97.9	Very high	93.4	Very high	34 Å²	34	62.8 Å²	62.8	15%	0.149	33%	0.331	C	S	.	.	S	Bend	trans	-133.9	149.6	174.8	-57.9	-81.6	0	0	0	108.5	F161 E164 A167 P224 A228 L249 M253	F161-F226 HydrophobicContact CD1-CD1 4.03Å; F161-F226 HydrophobicContact CD1-CE1 4.08Å; F161-F226 HydrophobicContact CE1-CE1 4.13Å; F161-F226 WeakPolarHBondContact O-CA 3.4Å; E164-F226 HydrophobicContact CB-CD1 4.43Å; E164-F226 HydrophobicContact CB-CD2 3.76Å; E164-F226 HydrophobicContact CB-CE1 4.27Å; E164-F226 HydrophobicContact CB-CE2 3.57Å; E164-F226 HydrophobicContact CB-CG 4.19Å; E164-F226 HydrophobicContact CB-CZ 3.84Å; E164-F226 HydrophobicContact CG-CD2 4.43Å; E164-F226 HydrophobicContact CG-CE1 4.46Å; E164-F226 HydrophobicContact CG-CE2 3.74Å; E164-F226 HydrophobicContact CG-CZ 3.74Å; A167-F226 HydrophobicContact CB-CD1 4.12Å; A167-F226 HydrophobicContact CB-CE1 3.7Å; P224-F226 WeakPolarHBondContact CB-O 3.35Å; P224-F226 WeakPolarHBondContact CG-O 3.3Å; P224-F226 PolarHBondContact O-N 2.85Å; F226-A228 VanDerWaalsContact C-N 3.26Å; F226-A228 PolarHBondContact O-N 3.28Å; F226-L249 HydrophobicContact CE1-CD2 4.14Å; F226-L249 HydrophobicContact CE2-CD2 3.97Å; F226-L249 HydrophobicContact CZ-CD2 3.69Å; F226-L249 HydrophobicContact CZ-CG 4.44Å; F226-M253 HydrophobicContact CE1-CE 4.05Å; F226-M253 HydrophobicContact CE1-SD 3.97Å; F226-M253 HydrophobicContact CZ-CE 3.96Å; F226-M253 HydrophobicContact CZ-SD 3.83Å
227	G	96.1	Very high	93.1	Very high	27 Å²	27	60.8 Å²	60.8	28%	0.278	31%	0.311	S	S	.	.			trans	78.1	4.7	178.4	0	0	0	0	0	115	F161 S162 T229	F161-G227 PolarHBondContact O-N 3.15Å; S162-G227 WeakPolarHBondContact O-CA 3.29Å; S162-G227 PolarHBondContact O-N 2.86Å; S162-G227 VanDerWaalsContact O-N 3.13Å; G227-T229 PolarHBondContact O-N 3.13Å; G227-T229 PolarHBondContact O-OG1 2.89Å
228	A	96.4	Very high	93.3	Very high	4 Å²	4	59.8 Å²	59.8	3%	0.033	30%	0.298	C	S	.	.			trans	-69	95.2	173.9	0	0	0	0	0	110.3	L223 P224 F226 Y243 L244	L223-A228 HydrophobicContact CD2-CB 4.46Å; P224-A228 HydrophobicContact CG-CB 4.01Å; P224-A228 WeakPolarHBondContact O-CB 3.12Å; F226-A228 VanDerWaalsContact C-N 3.26Å; F226-A228 PolarHBondContact O-N 3.28Å; A228-Y243 WeakPolarHBondContact O-CA 3.46Å; A228-L244 HydrophobicContact CB-CB 4.07Å; A228-L244 HydrophobicContact CB-CD1 4.05Å; A228-L244 HydrophobicContact CB-CG 4.35Å; A228-L244 PolarHBondContact O-N 3.24Å
229	T	96	Very high	93.6	Very high	32 Å²	32	52.5 Å²	52.5	20%	0.196	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	138.3	-164	-52.9	0	0	0	0	112.1	A216 G227 P241 E242 Y243	A216-T229 HydrophobicContact CB-CG2 4.03Å; A216-T229 PolarHBondContact N-O 2.89Å; G227-T229 PolarHBondContact O-N 3.13Å; G227-T229 PolarHBondContact O-OG1 2.89Å; T229-P241 HydrophobicContact CG2-CB 3.93Å; T229-E242 WeakPolarHBondContact CA-O 3.3Å; T229-Y243 HydrophobicContact CG2-CD1 4.44Å; T229-Y243 HydrophobicContact CG2-CE1 4.17Å; T229-Y243 WeakPolarHBondContact OG1-CD1 3.45Å; T229-Y243 WeakPolarHBondContact OG1-CE1 3.46Å
230	Y	95.9	Very high	93.6	Very high	1 Å²	1	49.8 Å²	49.8	0%	0.004	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	149	166	62.6	-81	0	0	0	109.5	P189 I194 L213 R214 F232 E242 L244	P189-Y230 WeakPolarHBondContact CB-OH 3.49Å; P189-Y230 WeakPolarHBondContact CG-OH 3.48Å; I194-Y230 HydrophobicContact CG2-CD1 4.37Å; I194-Y230 HydrophobicContact CG2-CD2 4.29Å; I194-Y230 HydrophobicContact CG2-CE1 4.42Å; I194-Y230 HydrophobicContact CG2-CE2 4.34Å; I194-Y230 HydrophobicContact CG2-CG 4.3Å; L213-Y230 HydrophobicContact CD2-CD2 3.61Å; L213-Y230 HydrophobicContact CD2-CE2 3.73Å; R214-Y230 CarbonylContact O-C 3.58Å; R214-Y230 WeakPolarHBondContact O-CA 3.44Å; Y230-F232 HydrophobicContact CD2-CB 4.16Å; Y230-F232 HydrophobicContact CE2-CB 3.9Å; Y230-E242 HydrophobicContact CD1-CB 4.37Å; Y230-E242 HydrophobicContact CD2-CB 4.22Å; Y230-E242 HydrophobicContact CE1-CB 3.79Å; Y230-E242 HydrophobicContact CE2-CB 3.62Å; Y230-E242 HydrophobicContact CE2-CG 4.32Å; Y230-E242 WeakPolarHBondContact CE2-OE2 3.44Å; Y230-E242 PolarHBondContact N-O 2.94Å; Y230-E242 PolarHBondContact O-N 3.04Å; Y230-E242 WeakPolarHBondContact OH-CB 3.34Å; Y230-E242 PolarHBondContact OH-OE2 3.27Å; Y230-L244 HydrophobicContact CD1-CD2 3.72Å; Y230-L244 HydrophobicContact CD1-CG 3.85Å; Y230-L244 HydrophobicContact CE1-CD2 3.58Å; Y230-L244 HydrophobicContact CE1-CG 3.97Å
231	H	95.8	Very high	93.8	Very high	65 Å²	65	51 Å²	51	30%	0.301	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	125.1	172.9	-166.7	-90.6	0	0	0	109.1	L213 R214 D239	L213-H231 WeakPolarHBondContact CA-O 3.4Å; R214-H231 HydrophobicContact CB-CB 4.46Å; R214-H231 PolarHBondContact N-O 2.91Å; R214-H231 PolarHBondContact O-N 3.24Å; H231-D239 IonicContact CE1-OD1 3.84Å; H231-D239 PolarHBondContact CE1-OD1 3.36Å; H231-D239 IonicContact NE2-OD1 3.87Å
232	F	95.9	Very high	94	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.009	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	129.5	177.1	-179.6	-120.8	0	0	0	110.7	S211 S212 L213 Y230 L234 V238 D239 C240 E242 Y345	S211-F232 WeakPolarHBondContact OG-CE2 3.39Å; S212-F232 WeakPolarHBondContact O-CA 3.13Å; L213-F232 HydrophobicContact CD2-CB 4.28Å; L213-F232 HydrophobicContact CD2-CD2 3.43Å; L213-F232 VanDerWaalsContact CD2-CD2 3.43Å; L213-F232 HydrophobicContact CD2-CE2 4.15Å; L213-F232 HydrophobicContact CD2-CG 4.25Å; L213-F232 HydrophobicContact CG-CD2 4.17Å; Y230-F232 HydrophobicContact CD2-CB 4.16Å; Y230-F232 HydrophobicContact CE2-CB 3.9Å; F232-L234 HydrophobicContact CE1-CB 3.74Å; F232-L234 HydrophobicContact CE1-CD2 4.46Å; F232-L234 HydrophobicContact CZ-CB 3.81Å; F232-L234 HydrophobicContact CZ-CD2 4.44Å; F232-V238 HydrophobicContact CD1-CB 4.27Å; F232-V238 HydrophobicContact CD1-CG1 3.78Å; F232-V238 HydrophobicContact CE1-CB 4.39Å; F232-V238 HydrophobicContact CE1-CG1 4.35Å; F232-D239 WeakPolarHBondContact O-CA 3.36Å; F232-C240 PolarHBondContact N-O 3.47Å; F232-C240 VanDerWaalsContact N-O 3.12Å; F232-C240 PolarHBondContact O-N 3.36Å; F232-E242 HydrophobicContact CB-CG 4.13Å; F232-E242 WeakPolarHBondContact CD1-OE1 3.3Å; F232-Y345 VanDerWaalsContact CE1-OH 3.26Å; F232-Y345 WeakPolarHBondContact CE1-OH 3.42Å; F232-Y345 WeakPolarHBondContact CZ-OH 3.43Å
233	R	96.5	Very high	94.2	Very high	123 Å²	123	40.1 Å²	40.1	46%	0.464	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	135.1	168.4	-175.7	178.5	-72.2	164.5	-7.7	109.3	S211 S212 V238 D239	S211-R233 WeakPolarHBondContact CA-O 3.45Å; S211-R233 WeakPolarHBondContact CB-O 3.31Å; S211-R233 PolarHBondContact OG-O 2.89Å; S212-R233 PolarHBondContact N-O 2.78Å; S212-R233 PolarHBondContact O-N 3.23Å; S212-R233 WeakPolarHBondContact OG-CB 3.41Å; R233-V238 CarbonylContact C-O 3.55Å; R233-V238 VanDerWaalsContact CA-O 3.29Å; R233-V238 WeakPolarHBondContact CA-O 3.43Å; R233-D239 WeakPolarHBondContact CB-OD1 3.12Å; R233-D239 IonicContact CZ-OD1 3.25Å; R233-D239 IonicContact CZ-OD2 2.83Å; R233-D239 VanDerWaalsContact NE-CG 3.33Å; R233-D239 IonicContact NE-OD1 3.37Å; R233-D239 PolarHBondContact NE-OD1 3.3Å; R233-D239 IonicContact NE-OD2 2.66Å; R233-D239 PolarHBondContact NE-OD2 3.46Å; R233-D239 IonicContact NH2-OD1 3.84Å; R233-D239 PolarHBondContact NH2-OD1 2.91Å; R233-D239 IonicContact NH2-OD2 2.74Å; R233-D239 PolarHBondContact NH2-OD2 3.49Å
234	L	96.1	Very high	94.4	Very high	11 Å²	11	38.1 Å²	38.1	6%	0.058	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	129.2	166.4	-178.6	62.6	0	0	0	109	I34 L37 I210 F232 D236 V237 V238 V341	I34-L234 HydrophobicContact CD1-CD2 4.43Å; I34-L234 HydrophobicContact CD1-CG 4.18Å; L37-L234 HydrophobicContact CD2-CD1 4.25Å; I210-L234 WeakPolarHBondContact O-CA 3.29Å; F232-L234 HydrophobicContact CE1-CB 3.74Å; F232-L234 HydrophobicContact CE1-CD2 4.46Å; F232-L234 HydrophobicContact CZ-CB 3.81Å; F232-L234 HydrophobicContact CZ-CD2 4.44Å; L234-D236 PolarHBondContact O-N 2.95Å; L234-V237 HydrophobicContact CB-CG2 3.71Å; L234-V237 HydrophobicContact CD2-CG2 3.49Å; L234-V237 VanDerWaalsContact CD2-CG2 3.49Å; L234-V237 HydrophobicContact CG-CG2 3.44Å; L234-V237 VanDerWaalsContact CG-CG2 3.44Å; L234-V237 WeakPolarHBondContact O-CG2 3.24Å; L234-V237 PolarHBondContact O-N 2.98Å; L234-V238 HydrophobicContact CB-CB 4.14Å; L234-V238 PolarHBondContact N-O 3.45Å; L234-V238 PolarHBondContact O-N 2.82Å; L234-V238 VanDerWaalsContact O-N 3.07Å; L234-V341 HydrophobicContact CD1-CG1 3.98Å; L234-V341 HydrophobicContact CD1-CG2 4.26Å
235	Y	92.4	Very high	94.5	Very high	103 Å²	103	34.9 Å²	34.9	40%	0.404	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-39.5	120.2	-174.2	-168.8	-82.8	0	0	0	112.5	R33 I34 I210 V237	R33-Y235 HydrophobicContact CB-CD1 4.06Å; R33-Y235 HydrophobicContact CB-CE1 3.9Å; R33-Y235 HydrophobicContact CB-CE2 4.47Å; R33-Y235 HydrophobicContact CB-CG 4.42Å; I34-Y235 WeakPolarHBondContact CD1-O 3.48Å; I210-Y235 WeakPolarHBondContact O-CB 3.34Å; I210-Y235 PolarHBondContact O-N 3.31Å; Y235-V237 WeakPolarHBondContact O-CG2 3.49Å; Y235-V237 PolarHBondContact O-N 2.91Å
236	D	87.8	Confident	94.5	Very high	68 Å²	68	35.9 Å²	35.9	36%	0.364	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	63	-0	177.5	-83.9	-30.3	0	0	0	117.6	R24 L234	R24-D236 IonicContact CZ-OD1 3.23Å; R24-D236 IonicContact CZ-OD2 3.07Å; R24-D236 VanDerWaalsContact NH1-CG 3.26Å; R24-D236 IonicContact NH1-OD1 2.67Å; R24-D236 IonicContact NH1-OD2 2.99Å; R24-D236 PolarHBondContact NH1-OD2 3.12Å; R24-D236 IonicContact NH2-OD1 3.77Å; R24-D236 PolarHBondContact NH2-OD1 2.83Å; R24-D236 IonicContact NH2-OD2 2.75Å; R24-D236 PolarHBondContact NH2-OD2 3.5Å; L234-D236 PolarHBondContact O-N 2.95Å
237	V	86.9	Confident	94.6	Very high	22 Å²	22	35 Å²	35	13%	0.133	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.2	-34.6	-167.3	-62.6	0	0	0	0	115.5	H17 I34 L234 Y235	H17-V237 PolarHBondContact NE2-O 3.4Å; H17-V237 VanDerWaalsContact NE2-O 3.1Å; I34-V237 HydrophobicContact CD1-CG1 3.94Å; I34-V237 HydrophobicContact CD1-CG2 3.83Å; L234-V237 HydrophobicContact CB-CG2 3.71Å; L234-V237 HydrophobicContact CD2-CG2 3.49Å; L234-V237 VanDerWaalsContact CD2-CG2 3.49Å; L234-V237 HydrophobicContact CG-CG2 3.44Å; L234-V237 VanDerWaalsContact CG-CG2 3.44Å; L234-V237 WeakPolarHBondContact O-CG2 3.24Å; L234-V237 PolarHBondContact O-N 2.98Å; Y235-V237 WeakPolarHBondContact O-CG2 3.49Å; Y235-V237 PolarHBondContact O-N 2.91Å
238	V	89.1	Confident	94.7	Very high	16 Å²	16	36.8 Å²	36.8	10%	0.097	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	132.3	-176	-177.5	0	0	0	0	108.7	F232 R233 L234 C240	F232-V238 HydrophobicContact CD1-CB 4.27Å; F232-V238 HydrophobicContact CD1-CG1 3.78Å; F232-V238 HydrophobicContact CE1-CB 4.39Å; F232-V238 HydrophobicContact CE1-CG1 4.35Å; R233-V238 CarbonylContact C-O 3.55Å; R233-V238 VanDerWaalsContact CA-O 3.29Å; R233-V238 WeakPolarHBondContact CA-O 3.43Å; L234-V238 HydrophobicContact CB-CB 4.14Å; L234-V238 PolarHBondContact N-O 3.45Å; L234-V238 PolarHBondContact O-N 2.82Å; L234-V238 VanDerWaalsContact O-N 3.07Å; V238-C240 VanDerWaalsContact CG1-SG 3.54Å
239	D	90.6	Very high	94.8	Very high	56 Å²	56	38 Å²	38	30%	0.299	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	71.7	171	-156	24.5	0	0	0	108.3	H17 H231 F232 R233	H17-D239 PolarHBondContact CE1-N 3.13Å; H231-D239 IonicContact CE1-OD1 3.84Å; H231-D239 PolarHBondContact CE1-OD1 3.36Å; H231-D239 IonicContact NE2-OD1 3.87Å; F232-D239 WeakPolarHBondContact O-CA 3.36Å; R233-D239 WeakPolarHBondContact CB-OD1 3.12Å; R233-D239 IonicContact CZ-OD1 3.25Å; R233-D239 IonicContact CZ-OD2 2.83Å; R233-D239 VanDerWaalsContact NE-CG 3.33Å; R233-D239 IonicContact NE-OD1 3.37Å; R233-D239 PolarHBondContact NE-OD1 3.3Å; R233-D239 IonicContact NE-OD2 2.66Å; R233-D239 PolarHBondContact NE-OD2 3.46Å; R233-D239 IonicContact NH2-OD1 3.84Å; R233-D239 PolarHBondContact NH2-OD1 2.91Å; R233-D239 IonicContact NH2-OD2 2.74Å; R233-D239 PolarHBondContact NH2-OD2 3.49Å
240	C	89.9	Confident	94.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	161.2	-173.8	57.7	0	0	0	0	112.7	V14 Y159 F232 V238	V14-C240 HydrophobicContact CG2-CB 4.46Å; Y159-C240 VanDerWaalsContact CE1-SG 3.51Å; F232-C240 PolarHBondContact N-O 3.47Å; F232-C240 VanDerWaalsContact N-O 3.12Å; F232-C240 PolarHBondContact O-N 3.36Å; V238-C240 VanDerWaalsContact CG1-SG 3.54Å
241	P	93.3	Very high	95.1	Very high	32 Å²	32	39.9 Å²	39.9	21%	0.208	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	137.4	168.7	27.4	-34.3	0	0	0	111.3	T229	T229-P241 HydrophobicContact CG2-CB 3.93Å
242	E	95.7	Very high	95.2	Very high	3 Å²	3	43 Å²	43	1%	0.014	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	159.9	174.6	-70.4	-168.6	165.4	0	0	109.9	H158 Y159 T229 Y230 F232	H158-E242 IonicContact CD2-OE1 3.41Å; H158-E242 IonicContact CD2-OE2 2.89Å; H158-E242 IonicContact CE1-OE1 3.96Å; H158-E242 IonicContact NE2-OE1 3.63Å; H158-E242 PolarHBondContact NE2-OE1 3.21Å; H158-E242 IonicContact NE2-OE2 3.44Å; Y159-E242 HydrophobicContact CD1-CG 4.18Å; Y159-E242 HydrophobicContact CE1-CG 3.6Å; Y159-E242 PolarHBondContact OH-OE1 2.71Å; T229-E242 WeakPolarHBondContact CA-O 3.3Å; Y230-E242 HydrophobicContact CD1-CB 4.37Å; Y230-E242 HydrophobicContact CD2-CB 4.22Å; Y230-E242 HydrophobicContact CE1-CB 3.79Å; Y230-E242 HydrophobicContact CE2-CB 3.62Å; Y230-E242 HydrophobicContact CE2-CG 4.32Å; Y230-E242 WeakPolarHBondContact CE2-OE2 3.44Å; Y230-E242 PolarHBondContact N-O 2.94Å; Y230-E242 PolarHBondContact O-N 3.04Å; Y230-E242 WeakPolarHBondContact OH-CB 3.34Å; Y230-E242 PolarHBondContact OH-OE2 3.27Å; F232-E242 HydrophobicContact CB-CG 4.13Å; F232-E242 WeakPolarHBondContact CD1-OE1 3.3Å
243	Y	97.3	Very high	95.4	Very high	25 Å²	25	43 Å²	43	10%	0.098	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	136.8	178.8	-52.1	-80	0	0	0	110.9	H158 Y159 A228 T229 V245	H158-Y243 WeakPolarHBondContact O-CB 3.37Å; H158-Y243 WeakPolarHBondContact O-CD2 3.48Å; Y159-Y243 WeakPolarHBondContact O-CE2 3.25Å; A228-Y243 WeakPolarHBondContact O-CA 3.46Å; T229-Y243 HydrophobicContact CG2-CD1 4.44Å; T229-Y243 HydrophobicContact CG2-CE1 4.17Å; T229-Y243 WeakPolarHBondContact OG1-CD1 3.45Å; T229-Y243 WeakPolarHBondContact OG1-CE1 3.46Å; Y243-V245 PolarHBondContact O-N 2.97Å
244	L	98.3	Very high	95.5	Very high	12 Å²	12	37.1 Å²	37.1	6%	0.063	18%	0.178	C	C	.	.			trans	-65.3	126.4	175.9	-66.1	173.4	0	0	0	110.1	A191 I194 V195 L223 A228 Y230	A191-L244 HydrophobicContact CB-CB 4.14Å; A191-L244 HydrophobicContact CB-CD2 3.96Å; I194-L244 HydrophobicContact CB-CD2 4Å; I194-L244 HydrophobicContact CG2-CD2 3.75Å; V195-L244 HydrophobicContact CG2-CD1 3.46Å; V195-L244 VanDerWaalsContact CG2-CD1 3.46Å; V195-L244 HydrophobicContact CG2-CD2 4.15Å; V195-L244 HydrophobicContact CG2-CG 4.47Å; L223-L244 HydrophobicContact CD1-CD1 3.96Å; L223-L244 HydrophobicContact CD2-CD1 4.1Å; A228-L244 HydrophobicContact CB-CB 4.07Å; A228-L244 HydrophobicContact CB-CD1 4.05Å; A228-L244 HydrophobicContact CB-CG 4.35Å; A228-L244 PolarHBondContact O-N 3.24Å; Y230-L244 HydrophobicContact CD1-CD2 3.72Å; Y230-L244 HydrophobicContact CD1-CG 3.85Å; Y230-L244 HydrophobicContact CE1-CD2 3.58Å; Y230-L244 HydrophobicContact CE1-CG 3.97Å
245	V	98.6	Very high	95.6	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.024	19%	0.193	C	C	.	.			trans	-98.6	101.1	173.6	-177.5	0	0	0	0	109.1	L157 H158 F161 I188 A191 Y243 F247 F250	L157-V245 HydrophobicContact CD2-CG1 4.34Å; L157-V245 HydrophobicContact CD2-CG2 4.14Å; H158-V245 HydrophobicContact CB-CG2 3.72Å; F161-V245 HydrophobicContact CB-CG2 4.25Å; F161-V245 HydrophobicContact CD1-CB 4.44Å; F161-V245 HydrophobicContact CD1-CG1 4.19Å; F161-V245 HydrophobicContact CD1-CG2 4.08Å; F161-V245 HydrophobicContact CD2-CG2 3.92Å; F161-V245 HydrophobicContact CE1-CG1 3.82Å; F161-V245 HydrophobicContact CE1-CG2 4.46Å; F161-V245 HydrophobicContact CE2-CG1 4.4Å; F161-V245 HydrophobicContact CE2-CG2 4.34Å; F161-V245 HydrophobicContact CG-CG2 3.8Å; F161-V245 HydrophobicContact CZ-CG1 3.93Å; I188-V245 HydrophobicContact CD1-CB 4.13Å; I188-V245 HydrophobicContact CD1-CG1 3.9Å; A191-V245 VanDerWaalsContact CB-O 3.29Å; A191-V245 WeakPolarHBondContact CB-O 3.46Å; Y243-V245 PolarHBondContact O-N 2.97Å; V245-F247 PolarHBondContact O-N 3.32Å; V245-F250 HydrophobicContact CG1-CB 3.79Å; V245-F250 HydrophobicContact CG1-CD1 4.42Å; V245-F250 HydrophobicContact CG1-CG 4.08Å
246	Y	98.4	Very high	95.9	Very high	114 Å²	114	40.5 Å²	40.5	45%	0.447	20%	0.197	S	C	.	.			trans	-68.5	102	173.6	-177.1	-125.3	0	0	0	110	L225 P248 L249 F250	L225-Y246 HydrophobicContact CD2-CD1 4.03Å; Y246-P248 VanDerWaalsContact C-CD 3.49Å; Y246-P248 HydrophobicContact CD1-CB 4.3Å; Y246-P248 HydrophobicContact CD1-CG 4.47Å; Y246-P248 HydrophobicContact CD2-CG 4.36Å; Y246-P248 HydrophobicContact CE1-CB 3.69Å; Y246-P248 HydrophobicContact CE1-CG 3.87Å; Y246-P248 HydrophobicContact CE2-CB 4.49Å; Y246-P248 HydrophobicContact CE2-CG 3.75Å; Y246-P248 VanDerWaalsContact CZ-CG 3.47Å; Y246-L249 HydrophobicContact CD1-CB 3.78Å; Y246-L249 WeakPolarHBondContact O-CB 3.22Å; Y246-L249 PolarHBondContact O-N 3.26Å; Y246-F250 PolarHBondContact O-N 3.5Å
247	F	98.8	Very high	96.4	Very high	16 Å²	16	39.1 Å²	39.1	7%	0.07	19%	0.188	C	C	.	.	H	α-helix	trans	-55.4	-39.1	-169.3	-163.2	-87.5	0	0	0	114.8	I188 V245 L249 F250 K251 L261 K264 I346 F348 F350	I188-F247 HydrophobicContact CD1-CD2 4.28Å; V245-F247 PolarHBondContact O-N 3.32Å; F247-L249 VanDerWaalsContact C-N 3.34Å; F247-L249 PolarHBondContact O-N 3.1Å; F247-F250 AromaticContact CD2-CD1 3.87Å; F247-F250 HydrophobicContact CD2-CD1 3.87Å; F247-F250 HydrophobicContact CD2-CE1 4.45Å; F247-F250 AromaticContact CE2-CD1 3.8Å; F247-F250 HydrophobicContact CE2-CD1 3.8Å; F247-F250 AromaticContact CE2-CE1 3.98Å; F247-F250 HydrophobicContact CE2-CE1 3.98Å; F247-F250 HydrophobicContact CZ-CD1 4.41Å; F247-F250 PolarHBondContact O-N 3.16Å; F247-K251 HydrophobicContact CE1-CB 4.49Å; F247-K251 WeakPolarHBondContact O-CB 3.34Å; F247-K251 PolarHBondContact O-N 3.49Å; F247-L261 HydrophobicContact CE1-CD1 4.21Å; F247-L261 HydrophobicContact CE1-CD2 4.17Å; F247-L261 HydrophobicContact CZ-CD1 3.96Å; F247-K264 HydrophobicContact CD1-CD 3.71Å; F247-K264 HydrophobicContact CD1-CG 4.41Å; F247-K264 HydrophobicContact CD2-CD 4.15Å; F247-K264 HydrophobicContact CD2-CG 4.34Å; F247-K264 HydrophobicContact CE1-CB 3.98Å; F247-K264 HydrophobicContact CE1-CD 3.66Å; F247-K264 HydrophobicContact CE1-CG 3.94Å; F247-K264 HydrophobicContact CE2-CB 4.42Å; F247-K264 HydrophobicContact CE2-CD 4.1Å; F247-K264 HydrophobicContact CE2-CG 3.86Å; F247-K264 HydrophobicContact CG-CD 3.96Å; F247-K264 HydrophobicContact CZ-CB 3.74Å; F247-K264 HydrophobicContact CZ-CD 3.87Å; F247-K264 HydrophobicContact CZ-CG 3.63Å; F247-I346 HydrophobicContact CD2-CD1 3.6Å; F247-I346 HydrophobicContact CE2-CD1 3.93Å; F247-I346 HydrophobicContact CG-CD1 4.47Å; F247-F348 HydrophobicContact CE2-CB 4.1Å; F247-F348 HydrophobicContact CE2-CD1 4.29Å; F247-F348 HydrophobicContact CE2-CG 4.44Å; F247-F348 HydrophobicContact CZ-CB 4.13Å; F247-F350 HydrophobicContact CZ-CE2 4.19Å; F247-F350 HydrophobicContact CZ-CZ 4.19Å
248	P	98.6	Very high	96.9	Very high	64 Å²	64	38.3 Å²	38.3	42%	0.416	18%	0.184	S	C	.	.	H	α-helix	trans	-60.6	-39.1	174.6	-26.9	38.3	0	0	0	113.8	Y246 K252	Y246-P248 VanDerWaalsContact C-CD 3.49Å; Y246-P248 HydrophobicContact CD1-CB 4.3Å; Y246-P248 HydrophobicContact CD1-CG 4.47Å; Y246-P248 HydrophobicContact CD2-CG 4.36Å; Y246-P248 HydrophobicContact CE1-CB 3.69Å; Y246-P248 HydrophobicContact CE1-CG 3.87Å; Y246-P248 HydrophobicContact CE2-CB 4.49Å; Y246-P248 HydrophobicContact CE2-CG 3.75Å; Y246-P248 VanDerWaalsContact CZ-CG 3.47Å; P248-K252 PolarHBondContact O-N 2.92Å; P248-K252 VanDerWaalsContact O-N 3.1Å
249	L	98.7	Very high	97.4	Very high	30 Å²	30	37.7 Å²	37.7	16%	0.157	18%	0.18	C	C	.	.	H	α-helix	trans	-64.9	-49.8	172.3	171.9	69.2	0	0	0	110.6	L225 F226 Y246 F247 K251 K252 M253	L225-L249 HydrophobicContact CB-CD2 3.75Å; L225-L249 HydrophobicContact CD1-CD2 4.27Å; L225-L249 HydrophobicContact CD2-CD2 4.14Å; L225-L249 HydrophobicContact CG-CD2 4.25Å; F226-L249 HydrophobicContact CE1-CD2 4.14Å; F226-L249 HydrophobicContact CE2-CD2 3.97Å; F226-L249 HydrophobicContact CZ-CD2 3.69Å; F226-L249 HydrophobicContact CZ-CG 4.44Å; Y246-L249 HydrophobicContact CD1-CB 3.78Å; Y246-L249 WeakPolarHBondContact O-CB 3.22Å; Y246-L249 PolarHBondContact O-N 3.26Å; F247-L249 VanDerWaalsContact C-N 3.34Å; F247-L249 PolarHBondContact O-N 3.1Å; L249-K251 VanDerWaalsContact C-N 3.29Å; L249-K251 PolarHBondContact O-N 3.27Å; L249-K252 WeakPolarHBondContact O-CB 3.4Å; L249-K252 PolarHBondContact O-N 3.31Å; L249-M253 HydrophobicContact CD1-CG 4.23Å; L249-M253 HydrophobicContact CD1-SD 4.39Å; L249-M253 HydrophobicContact CG-CG 4.35Å; L249-M253 HydrophobicContact CG-SD 4.05Å; L249-M253 WeakPolarHBondContact O-CG 3.33Å; L249-M253 PolarHBondContact O-N 2.65Å
250	F	98.8	Very high	97.8	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-55.3	-43.6	178.3	168.9	-126	0	0	0	112.3	L157 F161 L171 F184 I188 V245 Y246 F247 M253 L254 F348 F350	L157-F250 HydrophobicContact CD1-CE2 3.78Å; L157-F250 HydrophobicContact CD1-CZ 3.79Å; L157-F250 HydrophobicContact CD2-CE2 4.32Å; F161-F250 HydrophobicContact CZ-CB 4.42Å; F161-F250 HydrophobicContact CZ-CD2 4Å; L171-F250 HydrophobicContact CD1-CD2 4.28Å; L171-F250 HydrophobicContact CD1-CE2 4.4Å; L171-F250 HydrophobicContact CD2-CD2 4.27Å; L171-F250 HydrophobicContact CD2-CE2 3.66Å; F184-F250 HydrophobicContact CE1-CE2 4.42Å; F184-F250 HydrophobicContact CE1-CZ 4.2Å; I188-F250 HydrophobicContact CD1-CD1 4.43Å; I188-F250 HydrophobicContact CD1-CE1 4.42Å; V245-F250 HydrophobicContact CG1-CB 3.79Å; V245-F250 HydrophobicContact CG1-CD1 4.42Å; V245-F250 HydrophobicContact CG1-CG 4.08Å; Y246-F250 PolarHBondContact O-N 3.5Å; F247-F250 AromaticContact CD2-CD1 3.87Å; F247-F250 HydrophobicContact CD2-CD1 3.87Å; F247-F250 HydrophobicContact CD2-CE1 4.45Å; F247-F250 AromaticContact CE2-CD1 3.8Å; F247-F250 HydrophobicContact CE2-CD1 3.8Å; F247-F250 AromaticContact CE2-CE1 3.98Å; F247-F250 HydrophobicContact CE2-CE1 3.98Å; F247-F250 HydrophobicContact CZ-CD1 4.41Å; F247-F250 PolarHBondContact O-N 3.16Å; F250-M253 PolarHBondContact O-N 3.23Å; F250-L254 HydrophobicContact CD2-CD1 4.06Å; F250-L254 HydrophobicContact CD2-CG 4.26Å; F250-L254 HydrophobicContact CE1-CD1 3.93Å; F250-L254 HydrophobicContact CE2-CD1 3.38Å; F250-L254 HydrophobicContact CE2-CD2 4.47Å; F250-L254 HydrophobicContact CE2-CG 3.82Å; F250-L254 HydrophobicContact CZ-CD1 3.33Å; F250-L254 HydrophobicContact CZ-CG 4.27Å; F250-L254 PolarHBondContact O-N 3.27Å; F250-F348 AromaticContact CE1-CD1 3.89Å; F250-F348 HydrophobicContact CE1-CD1 3.89Å; F250-F348 HydrophobicContact CE1-CD2 4.34Å; F250-F348 AromaticContact CE1-CE1 3.72Å; F250-F348 HydrophobicContact CE1-CE1 3.72Å; F250-F348 HydrophobicContact CE1-CE2 4.19Å; F250-F348 HydrophobicContact CE1-CG 4.19Å; F250-F348 AromaticContact CE1-CZ 3.88Å; F250-F348 HydrophobicContact CE1-CZ 3.88Å; F250-F348 HydrophobicContact CZ-CD1 4.43Å; F250-F348 HydrophobicContact CZ-CD2 4.44Å; F250-F348 AromaticContact CZ-CE1 3.88Å; F250-F348 HydrophobicContact CZ-CE1 3.88Å; F250-F348 AromaticContact CZ-CE2 3.89Å; F250-F348 HydrophobicContact CZ-CE2 3.89Å; F250-F348 AromaticContact CZ-CZ 3.58Å; F250-F348 HydrophobicContact CZ-CZ 3.58Å; F250-F350 AromaticContact CE1-CE2 3.98Å; F250-F350 HydrophobicContact CE1-CE2 3.98Å; F250-F350 HydrophobicContact CE1-CZ 4.42Å; F250-F350 HydrophobicContact CZ-CE2 4.39Å
251	K	98.9	Very high	98.2	Very high	72 Å²	72	43.9 Å²	43.9	31%	0.313	20%	0.203	S	C	.	.	H	α-helix	trans	-58.7	-47.4	173.6	-176.5	-175.2	-179.9	-93.5	0	111.4	F247 L249 L254 E255 L261 F350	F247-K251 HydrophobicContact CE1-CB 4.49Å; F247-K251 WeakPolarHBondContact O-CB 3.34Å; F247-K251 PolarHBondContact O-N 3.49Å; L249-K251 VanDerWaalsContact C-N 3.29Å; L249-K251 PolarHBondContact O-N 3.27Å; K251-L254 PolarHBondContact O-N 3.11Å; K251-E255 WeakPolarHBondContact CE-OE1 3.32Å; K251-E255 IonicContact NZ-OE1 2.82Å; K251-E255 PolarHBondContact NZ-OE1 3.34Å; K251-E255 WeakPolarHBondContact O-CG 3.45Å; K251-E255 PolarHBondContact O-N 3.37Å; K251-L261 HydrophobicContact CD-CD2 4.22Å; K251-F350 HydrophobicContact CB-CE1 4.44Å; K251-F350 HydrophobicContact CB-CZ 4.3Å; K251-F350 HydrophobicContact CG-CE1 4.02Å; K251-F350 HydrophobicContact CG-CZ 4.27Å
252	K	98.8	Very high	98.5	Very high	131 Å²	131	44.7 Å²	44.7	57%	0.57	21%	0.207	S	C	*	.	H	α-helix	trans	-62.4	-42.4	179.2	-174	177.3	178.4	-177.7	0	111.9	P248 L249 L254 E255 E256	P248-K252 PolarHBondContact O-N 2.92Å; P248-K252 VanDerWaalsContact O-N 3.1Å; L249-K252 WeakPolarHBondContact O-CB 3.4Å; L249-K252 PolarHBondContact O-N 3.31Å; K252-L254 VanDerWaalsContact C-N 3.31Å; K252-L254 PolarHBondContact O-N 2.82Å; K252-E255 WeakPolarHBondContact O-CB 3.09Å; K252-E255 PolarHBondContact O-N 3.1Å; K252-E256 PolarHBondContact O-N 2.9Å
253	M	98.9	Very high	98.6	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-60.8	-41.2	175.4	-64.9	174.3	79.4	0	0	111.4	F161 A167 R168 L171 F226 L249 F250 E256 F257	F161-M253 HydrophobicContact CE1-SD 4.42Å; A167-M253 HydrophobicContact CB-CE 3.92Å; R168-M253 HydrophobicContact CG-CE 3.64Å; L171-M253 HydrophobicContact CD1-CB 3.63Å; L171-M253 HydrophobicContact CD1-CE 4.02Å; L171-M253 HydrophobicContact CD1-SD 4.28Å; F226-M253 HydrophobicContact CE1-CE 4.05Å; F226-M253 HydrophobicContact CE1-SD 3.97Å; F226-M253 HydrophobicContact CZ-CE 3.96Å; F226-M253 HydrophobicContact CZ-SD 3.83Å; L249-M253 HydrophobicContact CD1-CG 4.23Å; L249-M253 HydrophobicContact CD1-SD 4.39Å; L249-M253 HydrophobicContact CG-CG 4.35Å; L249-M253 HydrophobicContact CG-SD 4.05Å; L249-M253 WeakPolarHBondContact O-CG 3.33Å; L249-M253 PolarHBondContact O-N 2.65Å; F250-M253 PolarHBondContact O-N 3.23Å; M253-E256 WeakPolarHBondContact O-CB 3.43Å; M253-E256 PolarHBondContact O-N 3.08Å; M253-F257 VanDerWaalsContact O-CD2 3.27Å; M253-F257 WeakPolarHBondContact O-CD2 3.29Å
254	L	98.9	Very high	98.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-67.3	-34.5	175.8	-80	176.3	0	0	0	113	L171 C175 F184 F250 K251 K252 E256 F257 M259 F350	L171-L254 HydrophobicContact CD1-CD2 4.46Å; L171-L254 HydrophobicContact CD1-CG 4.42Å; L171-L254 HydrophobicContact CD2-CD2 4.15Å; C175-L254 VanDerWaalsContact SG-CD2 3.5Å; F184-L254 HydrophobicContact CD1-CD1 4.13Å; F184-L254 HydrophobicContact CD1-CD2 3.81Å; F184-L254 HydrophobicContact CE1-CD1 4.29Å; F184-L254 HydrophobicContact CE1-CD2 4.02Å; F250-L254 HydrophobicContact CD2-CD1 4.06Å; F250-L254 HydrophobicContact CD2-CG 4.26Å; F250-L254 HydrophobicContact CE1-CD1 3.93Å; F250-L254 HydrophobicContact CE2-CD1 3.38Å; F250-L254 HydrophobicContact CE2-CD2 4.47Å; F250-L254 HydrophobicContact CE2-CG 3.82Å; F250-L254 HydrophobicContact CZ-CD1 3.33Å; F250-L254 HydrophobicContact CZ-CG 4.27Å; F250-L254 PolarHBondContact O-N 3.27Å; K251-L254 PolarHBondContact O-N 3.11Å; K252-L254 VanDerWaalsContact C-N 3.31Å; K252-L254 PolarHBondContact O-N 2.82Å; L254-E256 PolarHBondContact O-N 3.45Å; L254-F257 CarbonylContact O-C 3.55Å; L254-F257 WeakPolarHBondContact O-CA 3.2Å; L254-F257 PolarHBondContact O-N 3.49Å; L254-M259 HydrophobicContact CB-CB 3.96Å; L254-M259 HydrophobicContact CB-CG 4.38Å; L254-M259 HydrophobicContact CD2-CG 4.11Å; L254-M259 WeakPolarHBondContact O-CB 3.29Å; L254-M259 WeakPolarHBondContact O-CG 3.34Å; L254-M259 PolarHBondContact O-N 2.81Å; L254-M259 VanDerWaalsContact O-N 3.09Å; L254-F350 HydrophobicContact CB-CD1 4.14Å; L254-F350 HydrophobicContact CB-CE1 3.98Å; L254-F350 HydrophobicContact CD1-CD1 3.81Å; L254-F350 HydrophobicContact CD1-CD2 3.58Å; L254-F350 HydrophobicContact CD1-CE1 3.65Å; L254-F350 HydrophobicContact CD1-CE2 3.43Å; L254-F350 VanDerWaalsContact CD1-CE2 3.43Å; L254-F350 HydrophobicContact CD1-CG 3.78Å; L254-F350 HydrophobicContact CD1-CZ 3.46Å; L254-F350 VanDerWaalsContact CD1-CZ 3.46Å
255	E	98.7	Very high	98.7	Very high	78 Å²	78	48.1 Å²	48.1	36%	0.364	22%	0.223	S	C	.	.	H	α-helix	trans	-60.9	-31.3	174.8	-73.1	167.1	177.1	0	0	112.5	K251 K252 F257 G258	K251-E255 WeakPolarHBondContact CE-OE1 3.32Å; K251-E255 IonicContact NZ-OE1 2.82Å; K251-E255 PolarHBondContact NZ-OE1 3.34Å; K251-E255 WeakPolarHBondContact O-CG 3.45Å; K251-E255 PolarHBondContact O-N 3.37Å; K252-E255 WeakPolarHBondContact O-CB 3.09Å; K252-E255 PolarHBondContact O-N 3.1Å; E255-F257 PolarHBondContact O-N 3.01Å; E255-G258 PolarHBondContact O-N 3.38Å
256	E	98.5	Very high	98.7	Very high	106 Å²	106	52.8 Å²	52.8	50%	0.495	24%	0.243	S	C	.	.	H	α-helix	trans	-61.9	-32.7	173	-62.1	168.6	-163.8	0	0	111.7	R168 K252 M253 L254 G258	R168-E256 IonicContact CZ-OE2 3.35Å; R168-E256 IonicContact NH1-OE2 3.28Å; R168-E256 PolarHBondContact NH1-OE2 3.4Å; R168-E256 IonicContact NH2-OE1 3.26Å; R168-E256 IonicContact NH2-OE2 2.85Å; K252-E256 PolarHBondContact O-N 2.9Å; M253-E256 WeakPolarHBondContact O-CB 3.43Å; M253-E256 PolarHBondContact O-N 3.08Å; L254-E256 PolarHBondContact O-N 3.45Å; E256-G258 VanDerWaalsContact C-N 3.25Å; E256-G258 PolarHBondContact O-N 3.31Å
257	F	98.5	Very high	98.7	Very high	39 Å²	39	47.4 Å²	47.4	17%	0.171	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	15.2	173.2	-65	-82.5	0	0	0	113.4	L171 A172 C175 E176 M253 L254 E255 M259 K352	L171-F257 HydrophobicContact CB-CD2 4.33Å; L171-F257 HydrophobicContact CB-CE2 3.82Å; L171-F257 HydrophobicContact CB-CZ 4.4Å; A172-F257 HydrophobicContact CB-CE1 3.84Å; A172-F257 HydrophobicContact CB-CZ 3.85Å; C175-F257 HydrophobicContact CB-CB 3.66Å; C175-F257 HydrophobicContact CB-CD1 4.06Å; C175-F257 HydrophobicContact CB-CG 3.87Å; E176-F257 HydrophobicContact CG-CD1 4.35Å; E176-F257 HydrophobicContact CG-CE1 4.16Å; M253-F257 VanDerWaalsContact O-CD2 3.27Å; M253-F257 WeakPolarHBondContact O-CD2 3.29Å; L254-F257 CarbonylContact O-C 3.55Å; L254-F257 WeakPolarHBondContact O-CA 3.2Å; L254-F257 PolarHBondContact O-N 3.49Å; E255-F257 PolarHBondContact O-N 3.01Å; F257-M259 VanDerWaalsContact C-N 3.27Å; F257-M259 HydrophobicContact CB-CG 4.13Å; F257-M259 PolarHBondContact O-N 3.09Å; F257-K352 WeakPolarHBondContact O-CD 3.3Å; F257-K352 VanDerWaalsContact O-CE 3.3Å; F257-K352 WeakPolarHBondContact O-CE 3.29Å; F257-K352 PolarHBondContact O-NZ 3.37Å
258	G	98.6	Very high	98.5	Very high	5 Å²	5	48.4 Å²	48.4	5%	0.052	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	23.5	-179.9	0	0	0	0	0	113.5	E255 E256 I353	E255-G258 PolarHBondContact O-N 3.38Å; E256-G258 VanDerWaalsContact C-N 3.25Å; E256-G258 PolarHBondContact O-N 3.31Å; G258-I353 VanDerWaalsContact O-CG1 3.27Å; G258-I353 WeakPolarHBondContact O-CG1 2.87Å; G258-I353 PolarHBondContact O-N 3.03Å
259	M	98.8	Very high	98.5	Very high	4 Å²	4	49.5 Å²	49.5	2%	0.02	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	136.6	179.2	-55	-63.2	-67.7	0	0	111.2	C175 L178 F184 L254 F257 F350 Q351 K352	C175-M259 HydrophobicContact CB-CG 4.42Å; C175-M259 HydrophobicContact CB-SD 4.43Å; L178-M259 HydrophobicContact CD2-CE 3.59Å; L178-M259 HydrophobicContact CD2-SD 3.99Å; F184-M259 HydrophobicContact CB-CE 3.6Å; L254-M259 HydrophobicContact CB-CB 3.96Å; L254-M259 HydrophobicContact CB-CG 4.38Å; L254-M259 HydrophobicContact CD2-CG 4.11Å; L254-M259 WeakPolarHBondContact O-CB 3.29Å; L254-M259 WeakPolarHBondContact O-CG 3.34Å; L254-M259 PolarHBondContact O-N 2.81Å; L254-M259 VanDerWaalsContact O-N 3.09Å; F257-M259 VanDerWaalsContact C-N 3.27Å; F257-M259 HydrophobicContact CB-CG 4.13Å; F257-M259 PolarHBondContact O-N 3.09Å; M259-F350 HydrophobicContact CB-CB 4.16Å; M259-F350 HydrophobicContact CB-CD1 4.1Å; M259-F350 HydrophobicContact CE-CB 3.73Å; M259-Q351 CarbonylContact C-O 3.46Å; M259-Q351 WeakPolarHBondContact CA-O 3.4Å; M259-K352 HydrophobicContact CE-CB 4.39Å; M259-K352 VanDerWaalsContact SD-CA 3.58Å; M259-K352 HydrophobicContact SD-CB 3.69Å; M259-K352 HydrophobicContact SD-CD 3.38Å; M259-K352 WeakPolarHBondContact SD-CD 3.49Å; M259-K352 HydrophobicContact SD-CG 4.14Å
260	R	98.7	Very high	98.4	Very high	133 Å²	133	48 Å²	48	50%	0.502	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	130.4	174.8	-178.7	178.2	63.1	177.6	-2.4	110.1	V262 F350 Q351 I353	R260-V262 PolarHBondContact O-N 3.02Å; R260-F350 CarbonylContact O-C 3.57Å; R260-F350 VanDerWaalsContact O-CA 3.23Å; R260-F350 WeakPolarHBondContact O-CA 3.37Å; R260-Q351 PolarHBondContact N-O 2.96Å; R260-Q351 PolarHBondContact O-N 2.89Å; R260-I353 HydrophobicContact CB-CD1 4.16Å; R260-I353 HydrophobicContact CB-CG1 4.4Å; R260-I353 HydrophobicContact CB-CG2 3.93Å
261	L	98.9	Very high	98.3	Very high	52 Å²	52	49.5 Å²	49.5	27%	0.272	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	123.3	174.4	-177.4	68.9	0	0	0	110.2	F247 K251 Y263 K264 F350	F247-L261 HydrophobicContact CE1-CD1 4.21Å; F247-L261 HydrophobicContact CE1-CD2 4.17Å; F247-L261 HydrophobicContact CZ-CD1 3.96Å; K251-L261 HydrophobicContact CD-CD2 4.22Å; L261-Y263 VanDerWaalsContact CD1-O 3.31Å; L261-Y263 WeakPolarHBondContact CD1-O 3.28Å; L261-K264 HydrophobicContact CD1-CB 4.4Å; L261-K264 HydrophobicContact CD2-CB 4.5Å; L261-F350 HydrophobicContact CB-CD1 4.06Å; L261-F350 HydrophobicContact CB-CE1 3.74Å; L261-F350 HydrophobicContact CB-CZ 4.18Å; L261-F350 HydrophobicContact CD1-CD1 4.37Å; L261-F350 HydrophobicContact CD1-CD2 4.04Å; L261-F350 HydrophobicContact CD1-CE1 3.93Å; L261-F350 HydrophobicContact CD1-CE2 3.55Å; L261-F350 HydrophobicContact CD1-CG 4.42Å; L261-F350 HydrophobicContact CD1-CZ 3.49Å; L261-F350 VanDerWaalsContact CD1-CZ 3.49Å; L261-F350 HydrophobicContact CG-CE1 4.44Å; L261-F350 HydrophobicContact CG-CZ 4.39Å
262	V	98.8	Very high	98.1	Very high	50 Å²	50	53.9 Å²	53.9	30%	0.303	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-49.6	172.1	-177.2	0	0	0	0	109.3	Y183 R260 M349 Q351	Y183-V262 HydrophobicContact CD1-CG2 4.41Å; Y183-V262 HydrophobicContact CE1-CG2 4.07Å; R260-V262 PolarHBondContact O-N 3.02Å; V262-M349 WeakPolarHBondContact CA-O 3.47Å; V262-M349 HydrophobicContact CB-CB 4.18Å; V262-M349 HydrophobicContact CB-CG 3.95Å; V262-M349 WeakPolarHBondContact CB-O 3.28Å; V262-M349 HydrophobicContact CB-SD 4.17Å; V262-M349 HydrophobicContact CG1-CG 4.44Å; V262-M349 HydrophobicContact CG1-SD 4.01Å; V262-M349 HydrophobicContact CG2-CG 4.06Å; V262-M349 HydrophobicContact CG2-SD 4.37Å; V262-M349 PolarHBondContact N-O 2.81Å; V262-Q351 HydrophobicContact CG2-CB 3.74Å
263	Y	98.8	Very high	97.9	Very high	16 Å²	16	52 Å²	52	6%	0.063	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	156.8	171.6	63.1	-108.6	0	0	0	112.3	L261 L265 T347 F348 M349	L261-Y263 VanDerWaalsContact CD1-O 3.31Å; L261-Y263 WeakPolarHBondContact CD1-O 3.28Å; Y263-L265 HydrophobicContact CD2-CB 4.34Å; Y263-L265 HydrophobicContact CD2-CD1 3.65Å; Y263-L265 HydrophobicContact CD2-CG 3.63Å; Y263-L265 HydrophobicContact CE2-CD1 3.96Å; Y263-L265 HydrophobicContact CE2-CG 4.3Å; Y263-L265 HydrophobicContact CG-CD1 4Å; Y263-L265 HydrophobicContact CG-CG 4.1Å; Y263-T347 HydrophobicContact CE2-CG2 4.26Å; Y263-F348 VanDerWaalsContact O-CA 3.3Å; Y263-F348 WeakPolarHBondContact O-CA 3.26Å; Y263-M349 HydrophobicContact CD1-CB 3.92Å; Y263-M349 HydrophobicContact CD1-SD 4.32Å; Y263-M349 HydrophobicContact CD2-CB 4.22Å; Y263-M349 HydrophobicContact CE1-CB 3.58Å; Y263-M349 HydrophobicContact CE1-CE 3.75Å; Y263-M349 HydrophobicContact CE1-CG 4.26Å; Y263-M349 HydrophobicContact CE1-SD 3.71Å; Y263-M349 HydrophobicContact CE2-CB 3.9Å; Y263-M349 HydrophobicContact CG-CB 4.24Å; Y263-M349 PolarHBondContact N-O 3.24Å; Y263-M349 PolarHBondContact O-N 3.07Å
264	K	98.7	Very high	97.8	Very high	69 Å²	69	53.5 Å²	53.5	30%	0.3	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	115.3	164.6	176.9	-157	-177.9	-172.9	0	106	F247 L261 I346	F247-K264 HydrophobicContact CD1-CD 3.71Å; F247-K264 HydrophobicContact CD1-CG 4.41Å; F247-K264 HydrophobicContact CD2-CD 4.15Å; F247-K264 HydrophobicContact CD2-CG 4.34Å; F247-K264 HydrophobicContact CE1-CB 3.98Å; F247-K264 HydrophobicContact CE1-CD 3.66Å; F247-K264 HydrophobicContact CE1-CG 3.94Å; F247-K264 HydrophobicContact CE2-CB 4.42Å; F247-K264 HydrophobicContact CE2-CD 4.1Å; F247-K264 HydrophobicContact CE2-CG 3.86Å; F247-K264 HydrophobicContact CG-CD 3.96Å; F247-K264 HydrophobicContact CZ-CB 3.74Å; F247-K264 HydrophobicContact CZ-CD 3.87Å; F247-K264 HydrophobicContact CZ-CG 3.63Å; L261-K264 HydrophobicContact CD1-CB 4.4Å; L261-K264 HydrophobicContact CD2-CB 4.5Å; K264-I346 HydrophobicContact CD-CD1 4.31Å; K264-I346 HydrophobicContact CG-CD1 4.1Å
265	L	98.8	Very high	97.5	Very high	27 Å²	27	55 Å²	55	14%	0.141	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	134.5	-174.1	-61.4	175.4	0	0	0	110.4	Y263 E269 V270 K273 I346 T347	Y263-L265 HydrophobicContact CD2-CB 4.34Å; Y263-L265 HydrophobicContact CD2-CD1 3.65Å; Y263-L265 HydrophobicContact CD2-CG 3.63Å; Y263-L265 HydrophobicContact CE2-CD1 3.96Å; Y263-L265 HydrophobicContact CE2-CG 4.3Å; Y263-L265 HydrophobicContact CG-CD1 4Å; Y263-L265 HydrophobicContact CG-CG 4.1Å; L265-E269 WeakPolarHBondContact CA-OE2 3.25Å; L265-E269 HydrophobicContact CB-CB 4.14Å; L265-E269 HydrophobicContact CD2-CB 4Å; L265-V270 HydrophobicContact CB-CG2 3.7Å; L265-V270 HydrophobicContact CD1-CG2 4.29Å; L265-K273 HydrophobicContact CD1-CD 3.59Å; L265-I346 CarbonylContact O-C 3.54Å; L265-I346 VanDerWaalsContact O-CA 3.28Å; L265-I346 WeakPolarHBondContact O-CA 3.48Å; L265-T347 PolarHBondContact N-O 3.27Å; L265-T347 PolarHBondContact O-N 3Å
266	K	98.4	Very high	97	Very high	101 Å²	101	54.3 Å²	54.3	44%	0.439	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	158.6	162.6	-65.5	-177.5	175.5	-175.3	0	109.8	G268 E269 V270 I346	K266-G268 VanDerWaalsContact C-N 3.26Å; K266-G268 PolarHBondContact O-N 3.45Å; K266-E269 HydrophobicContact CB-CG 4.34Å; K266-E269 PolarHBondContact N-OE2 3.47Å; K266-E269 WeakPolarHBondContact O-CA 3.4Å; K266-E269 WeakPolarHBondContact O-CB 3.39Å; K266-E269 PolarHBondContact O-N 3.08Å; K266-V270 WeakPolarHBondContact O-CG2 3.34Å; K266-V270 PolarHBondContact O-N 2.94Å; K266-I346 HydrophobicContact CG-CG2 3.91Å
267	F	97.8	Very high	96.2	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.009	28%	0.282	C	S	.	.	H	α-helix	trans	-57.6	-36.9	-178.9	-78.8	12.5	0	0	0	113.7	N41 I44 F155 T187 E269 V270 I271 A342 Y345	N41-F267 WeakPolarHBondContact OD1-CE2 3.3Å; I44-F267 HydrophobicContact CD1-CB 3.63Å; I44-F267 HydrophobicContact CD1-CD1 3.5Å; I44-F267 HydrophobicContact CD1-CD2 3.26Å; I44-F267 HydrophobicContact CD1-CE1 3.84Å; I44-F267 HydrophobicContact CD1-CE2 3.65Å; I44-F267 HydrophobicContact CD1-CG 3.18Å; I44-F267 HydrophobicContact CD1-CZ 3.91Å; I44-F267 HydrophobicContact CG2-CD1 4.3Å; I44-F267 HydrophobicContact CG2-CE1 3.91Å; I44-F267 HydrophobicContact CG2-CZ 4.28Å; F155-F267 HydrophobicContact CE1-CZ 4.16Å; F155-F267 HydrophobicContact CZ-CE2 4.47Å; F155-F267 AromaticContact CZ-CZ 3.86Å; F155-F267 HydrophobicContact CZ-CZ 3.86Å; T187-F267 HydrophobicContact CG2-CE1 3.68Å; T187-F267 HydrophobicContact CG2-CZ 3.68Å; F267-E269 VanDerWaalsContact C-N 3.34Å; F267-E269 PolarHBondContact O-N 3.33Å; F267-V270 PolarHBondContact O-N 2.92Å; F267-I271 VanDerWaalsContact O-CG1 3.3Å; F267-I271 WeakPolarHBondContact O-CG1 3.32Å; F267-I271 PolarHBondContact O-N 3.13Å; F267-A342 HydrophobicContact CD2-CB 4.16Å; F267-A342 WeakPolarHBondContact CD2-O 3.13Å; F267-A342 WeakPolarHBondContact CG-O 3.46Å; F267-Y345 WeakPolarHBondContact CD1-O 3.26Å; F267-Y345 VanDerWaalsContact CE1-CB 3.48Å; F267-Y345 HydrophobicContact CE2-CD2 4.41Å; F267-Y345 HydrophobicContact CE2-CG 4.34Å; F267-Y345 HydrophobicContact CZ-CG 4.07Å
268	G	95	Very high	95	Very high	36 Å²	36	56.2 Å²	56.2	37%	0.371	31%	0.311	S	S	.	.	H	α-helix	trans	-58.3	-44.2	172.3	0	0	0	0	0	112.8	K266 V270 I271 E272	K266-G268 VanDerWaalsContact C-N 3.26Å; K266-G268 PolarHBondContact O-N 3.45Å; G268-V270 PolarHBondContact O-N 2.99Å; G268-I271 WeakPolarHBondContact O-CB 3.26Å; G268-I271 PolarHBondContact O-N 2.88Å; G268-E272 WeakPolarHBondContact O-CG 3.03Å; G268-E272 PolarHBondContact O-N 2.76Å
269	E	97.6	Very high	94.2	Very high	87 Å²	87	63.4 Å²	63.4	41%	0.407	34%	0.343	S	S	.	.	H	α-helix	trans	-69.9	-32.9	178.9	-57.4	170.8	135.5	0	0	111.7	L265 K266 F267 K273	L265-E269 WeakPolarHBondContact CA-OE2 3.25Å; L265-E269 HydrophobicContact CB-CB 4.14Å; L265-E269 HydrophobicContact CD2-CB 4Å; K266-E269 HydrophobicContact CB-CG 4.34Å; K266-E269 PolarHBondContact N-OE2 3.47Å; K266-E269 WeakPolarHBondContact O-CA 3.4Å; K266-E269 WeakPolarHBondContact O-CB 3.39Å; K266-E269 PolarHBondContact O-N 3.08Å; F267-E269 VanDerWaalsContact C-N 3.34Å; F267-E269 PolarHBondContact O-N 3.33Å; E269-K273 WeakPolarHBondContact O-CB 3.17Å; E269-K273 PolarHBondContact O-N 3.2Å
270	V	97.8	Very high	93.9	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-64.3	-43.1	171.6	178	0	0	0	0	110.7	W43 I44 L265 K266 F267 G268 K273 F274	W43-V270 HydrophobicContact CZ3-CG1 4.27Å; I44-V270 HydrophobicContact CB-CG1 4.36Å; I44-V270 HydrophobicContact CG1-CG1 3.99Å; I44-V270 HydrophobicContact CG2-CG1 4.09Å; L265-V270 HydrophobicContact CB-CG2 3.7Å; L265-V270 HydrophobicContact CD1-CG2 4.29Å; K266-V270 WeakPolarHBondContact O-CG2 3.34Å; K266-V270 PolarHBondContact O-N 2.94Å; F267-V270 PolarHBondContact O-N 2.92Å; G268-V270 PolarHBondContact O-N 2.99Å; V270-K273 PolarHBondContact O-N 3.34Å; V270-F274 HydrophobicContact CG1-CD2 3.66Å; V270-F274 HydrophobicContact CG1-CE2 4.12Å; V270-F274 WeakPolarHBondContact O-CD2 3.34Å; V270-F274 PolarHBondContact O-N 2.8Å
271	I	96.2	Very high	93.6	Very high	31 Å²	31	62.3 Å²	62.3	16%	0.159	34%	0.342	C	S	.	.	H	α-helix	trans	-61.2	-50.6	176.6	-68.4	164	0	0	0	110	L40 W43 F267 G268 K273 F274 A275 M284 W339	L40-I271 HydrophobicContact CD1-CD1 4.05Å; L40-I271 HydrophobicContact CD1-CG1 4.27Å; L40-I271 HydrophobicContact CD2-CD1 4.32Å; W43-I271 HydrophobicContact CZ3-CB 4.45Å; W43-I271 HydrophobicContact CZ3-CG1 3.86Å; F267-I271 VanDerWaalsContact O-CG1 3.3Å; F267-I271 WeakPolarHBondContact O-CG1 3.32Å; F267-I271 PolarHBondContact O-N 3.13Å; G268-I271 WeakPolarHBondContact O-CB 3.26Å; G268-I271 PolarHBondContact O-N 2.88Å; I271-K273 VanDerWaalsContact C-N 3.29Å; I271-K273 PolarHBondContact O-N 2.82Å; I271-F274 PolarHBondContact O-N 3.48Å; I271-A275 HydrophobicContact CG2-CB 4.17Å; I271-A275 WeakPolarHBondContact O-CB 3.4Å; I271-A275 PolarHBondContact O-N 3.16Å; I271-M284 HydrophobicContact CG1-CE 4.49Å; I271-M284 HydrophobicContact CG2-CE 4.28Å; I271-W339 HydrophobicContact CD1-CH2 3.92Å; I271-W339 HydrophobicContact CD1-CZ3 4.19Å
272	E	94.3	Very high	93.4	Very high	164 Å²	164	60.7 Å²	60.7	77%	0.766	34%	0.338	S	S	*	.	H	α-helix	trans	-58.2	-41.8	178	-72	173.4	-176.9	0	0	112.3	G268	G268-E272 WeakPolarHBondContact O-CG 3.03Å; G268-E272 PolarHBondContact O-N 2.76Å
273	K	95	Very high	93.2	Very high	92 Å²	92	60.2 Å²	60.2	40%	0.4	33%	0.333	S	S	.	.	H	α-helix	trans	-68.9	-42	-178.7	-177.5	179.9	178.8	107.3	0	113.5	L265 E269 V270 I271	L265-K273 HydrophobicContact CD1-CD 3.59Å; E269-K273 WeakPolarHBondContact O-CB 3.17Å; E269-K273 PolarHBondContact O-N 3.2Å; V270-K273 PolarHBondContact O-N 3.34Å; I271-K273 VanDerWaalsContact C-N 3.29Å; I271-K273 PolarHBondContact O-N 2.82Å
274	F	96.3	Very high	93	Very high	31 Å²	31	60.2 Å²	60.2	14%	0.136	33%	0.334	C	S	.	.	H	α-helix	trans	-113	-11.2	-167	-62.7	-65	0	0	0	114.8	W43 M47 D51 V270 I271 C276 G280	W43-F274 HydrophobicContact CH2-CB 3.91Å; W43-F274 HydrophobicContact CZ2-CB 4.21Å; M47-F274 HydrophobicContact CB-CB 3.87Å; M47-F274 HydrophobicContact CB-CD1 4.42Å; M47-F274 HydrophobicContact CB-CD2 3.8Å; M47-F274 HydrophobicContact CB-CE2 4.38Å; M47-F274 HydrophobicContact CB-CG 3.8Å; M47-F274 HydrophobicContact CG-CB 3.75Å; M47-F274 HydrophobicContact CG-CG 4.26Å; M47-F274 HydrophobicContact SD-CB 4.02Å; D51-F274 HydrophobicContact CB-CE1 3.89Å; D51-F274 HydrophobicContact CB-CZ 3.87Å; V270-F274 HydrophobicContact CG1-CD2 3.66Å; V270-F274 HydrophobicContact CG1-CE2 4.12Å; V270-F274 WeakPolarHBondContact O-CD2 3.34Å; V270-F274 PolarHBondContact O-N 2.8Å; I271-F274 PolarHBondContact O-N 3.48Å; F274-C276 PolarHBondContact O-N 3.43Å; F274-G280 VanDerWaalsContact O-CA 3.31Å; F274-G280 WeakPolarHBondContact O-CA 3.36Å
275	A	92.6	Very high	92.8	Very high	32 Å²	32	62.9 Å²	62.9	26%	0.264	35%	0.351	S	S	.	.			trans	-77.6	39.5	178.7	0	0	0	0	0	113.6	W43 I271 M284	W43-A275 HydrophobicContact CH2-CB 4.18Å; W43-A275 HydrophobicContact CZ2-CB 4.26Å; I271-A275 HydrophobicContact CG2-CB 4.17Å; I271-A275 WeakPolarHBondContact O-CB 3.4Å; I271-A275 PolarHBondContact O-N 3.16Å; A275-M284 HydrophobicContact CB-CE 3.84Å
276	C	88.1	Confident	92.5	Very high	63 Å²	63	70 Å²	70	43%	0.426	38%	0.376	S	S	.	.			trans	-70.6	149.8	175.3	-56.5	0	0	0	0	111.6	F274 K281	F274-C276 PolarHBondContact O-N 3.43Å; C276-K281 WeakPolarHBondContact O-CB 3.28Å; C276-K281 PolarHBondContact O-N 3.44Å
277	P	81.6	Confident	92.3	Very high	111 Å²	111	67.1 Å²	67.1	72%	0.721	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	145	174.9	-24.2	34.4	0	0	0	113.1	E279	P277-E279 PolarHBondContact O-N 2.86Å; P277-E279 VanDerWaalsContact O-N 3.07Å
278	G	73.7	Confident	92.2	Very high	75 Å²	75	72 Å²	72	77%	0.773	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.7	-37.8	176.9	0	0	0	0	0	115.2
279	E	82.6	Confident	92.3	Very high	156 Å²	156	70.3 Å²	70.3	73%	0.729	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	-96.5	-178.4	-63.5	-175.3	178.5	0	0	111.8	P277 K281 G282 L283	P277-E279 PolarHBondContact O-N 2.86Å; P277-E279 VanDerWaalsContact O-N 3.07Å; E279-K281 PolarHBondContact O-N 2.84Å; E279-G282 PolarHBondContact O-N 3.07Å; E279-L283 PolarHBondContact O-N 2.88Å; E279-L283 VanDerWaalsContact O-N 3.12Å
280	G	92.8	Very high	92.2	Very high	1 Å²	1	68 Å²	68	1%	0.01	36%	0.361	C	S	.	.	H	α-helix	trans	-65.8	-37.2	-173.8	0	0	0	0	0	113.1	W43 M47 F274 G282 L283 M284	W43-G280 PolarHBondContact NE1-O 3.21Å; M47-G280 WeakPolarHBondContact SD-CA 3.47Å; F274-G280 VanDerWaalsContact O-CA 3.31Å; F274-G280 WeakPolarHBondContact O-CA 3.36Å; G280-G282 VanDerWaalsContact C-N 3.32Å; G280-G282 PolarHBondContact O-N 2.99Å; G280-L283 PolarHBondContact O-N 3.41Å; G280-M284 WeakPolarHBondContact O-CB 3.39Å; G280-M284 PolarHBondContact O-N 2.8Å
281	K	92.5	Very high	92.1	Very high	112 Å²	112	68 Å²	68	49%	0.487	36%	0.361	S	S	.	.	H	α-helix	trans	-61.2	-41.7	174.5	-173.4	176.3	-178.7	178.2	0	111.8	C276 E279 M284 L285	C276-K281 WeakPolarHBondContact O-CB 3.28Å; C276-K281 PolarHBondContact O-N 3.44Å; E279-K281 PolarHBondContact O-N 2.84Å; K281-M284 PolarHBondContact O-N 3.14Å; K281-L285 WeakPolarHBondContact O-CG 3.49Å; K281-L285 PolarHBondContact O-N 3.42Å; K281-L285 VanDerWaalsContact O-N 3.13Å
282	G	93.5	Very high	92.1	Very high	19 Å²	19	69.6 Å²	69.6	20%	0.196	37%	0.373	C	S	.	.	H	α-helix	trans	-63.1	-42.8	178.1	0	0	0	0	0	111.8	E279 G280 R286	E279-G282 PolarHBondContact O-N 3.07Å; G280-G282 VanDerWaalsContact C-N 3.32Å; G280-G282 PolarHBondContact O-N 2.99Å; G282-R286 WeakPolarHBondContact O-CG 3.19Å; G282-R286 PolarHBondContact O-N 3.07Å; G282-R286 PolarHBondContact O-NH1 3.23Å
283	L	95	Very high	92.2	Very high	39 Å²	39	62.7 Å²	62.7	20%	0.204	34%	0.34	C	S	.	.	H	α-helix	trans	-66.8	-41.4	175.4	-175	65.5	0	0	0	112.3	M47 E279 G280 L285 R286 M287	M47-L283 HydrophobicContact CE-CD2 3.45Å; M47-L283 VanDerWaalsContact CE-CD2 3.45Å; E279-L283 PolarHBondContact O-N 2.88Å; E279-L283 VanDerWaalsContact O-N 3.12Å; G280-L283 PolarHBondContact O-N 3.41Å; L283-L285 VanDerWaalsContact C-N 3.27Å; L283-L285 PolarHBondContact O-N 3.49Å; L283-R286 PolarHBondContact O-N 3.17Å; L283-M287 HydrophobicContact CD1-CG 3.93Å; L283-M287 HydrophobicContact CD1-SD 3.74Å; L283-M287 HydrophobicContact CD2-SD 3.87Å; L283-M287 HydrophobicContact CG-CG 4.11Å; L283-M287 HydrophobicContact CG-SD 3.53Å; L283-M287 VanDerWaalsContact CG-SD 3.53Å; L283-M287 WeakPolarHBondContact O-CB 3.35Å; L283-M287 VanDerWaalsContact O-CG 3.3Å; L283-M287 WeakPolarHBondContact O-CG 3.35Å; L283-M287 PolarHBondContact O-N 3.21Å
284	M	95.4	Very high	92.1	Very high	17 Å²	17	60 Å²	60	8%	0.084	33%	0.332	C	S	.	.	H	α-helix	trans	-56.5	-43.6	179.1	-168.1	-177.7	-74.1	0	0	111.5	W43 I271 A275 G280 K281 Q288 A289 L290	W43-M284 VanDerWaalsContact CD1-CA 3.41Å; W43-M284 HydrophobicContact CD2-CB 4.45Å; W43-M284 HydrophobicContact CD2-CE 3.71Å; W43-M284 HydrophobicContact CD2-CG 4.45Å; W43-M284 VanDerWaalsContact CE2-CE 3.47Å; W43-M284 HydrophobicContact CE3-CE 3.74Å; W43-M284 HydrophobicContact CG-CB 4.32Å; W43-M284 HydrophobicContact CG-CG 4.43Å; W43-M284 HydrophobicContact CH2-CE 3.4Å; W43-M284 VanDerWaalsContact CH2-CE 3.4Å; W43-M284 HydrophobicContact CZ2-CE 3.33Å; W43-M284 HydrophobicContact CZ3-CE 3.61Å; I271-M284 HydrophobicContact CG1-CE 4.49Å; I271-M284 HydrophobicContact CG2-CE 4.28Å; A275-M284 HydrophobicContact CB-CE 3.84Å; G280-M284 WeakPolarHBondContact O-CB 3.39Å; G280-M284 PolarHBondContact O-N 2.8Å; K281-M284 PolarHBondContact O-N 3.14Å; M284-Q288 PolarHBondContact O-N 2.88Å; M284-A289 HydrophobicContact CG-CB 3.68Å; M284-A289 PolarHBondContact O-N 3.45Å; M284-L290 HydrophobicContact SD-CD1 3.57Å; M284-L290 VanDerWaalsContact SD-CD1 3.57Å; M284-L290 HydrophobicContact SD-CG 4.03Å
285	L	93.4	Very high	91.9	Very high	125 Å²	125	61.4 Å²	61.4	65%	0.654	34%	0.338	S	S	*	.	H	α-helix	trans	-66.1	-48.5	176.4	-69.2	172.3	0	0	0	112	K281 L283 M287 Q288	K281-L285 WeakPolarHBondContact O-CG 3.49Å; K281-L285 PolarHBondContact O-N 3.42Å; K281-L285 VanDerWaalsContact O-N 3.13Å; L283-L285 VanDerWaalsContact C-N 3.27Å; L283-L285 PolarHBondContact O-N 3.49Å; L285-M287 PolarHBondContact O-N 3.41Å; L285-Q288 PolarHBondContact O-N 3.02Å
286	R	93.4	Very high	91.7	Very high	176 Å²	176	65.6 Å²	65.6	66%	0.664	37%	0.365	S	S	*	.	H	α-helix	trans	-61.4	-34.2	178.9	-72.9	-169.7	-58.7	-88.5	2.3	112.9	G282 L283 Q288	G282-R286 WeakPolarHBondContact O-CG 3.19Å; G282-R286 PolarHBondContact O-N 3.07Å; G282-R286 PolarHBondContact O-NH1 3.23Å; L283-R286 PolarHBondContact O-N 3.17Å; R286-Q288 VanDerWaalsContact C-N 3.27Å
287	M	94.2	Very high	91.6	Very high	40 Å²	40	65.1 Å²	65.1	20%	0.197	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-6.7	177.9	-68.3	-180	68.3	0	0	113	N39 N42 W43 L283 L285 A289	N39-M287 WeakPolarHBondContact CB-O 3.2Å; N39-M287 PolarHBondContact ND2-O 3.28Å; N42-M287 HydrophobicContact CB-CE 3.44Å; N42-M287 VanDerWaalsContact CB-CE 3.44Å; W43-M287 HydrophobicContact CB-CE 4.31Å; W43-M287 HydrophobicContact CB-SD 4.16Å; L283-M287 HydrophobicContact CD1-CG 3.93Å; L283-M287 HydrophobicContact CD1-SD 3.74Å; L283-M287 HydrophobicContact CD2-SD 3.87Å; L283-M287 HydrophobicContact CG-CG 4.11Å; L283-M287 HydrophobicContact CG-SD 3.53Å; L283-M287 VanDerWaalsContact CG-SD 3.53Å; L283-M287 WeakPolarHBondContact O-CB 3.35Å; L283-M287 VanDerWaalsContact O-CG 3.3Å; L283-M287 WeakPolarHBondContact O-CG 3.35Å; L283-M287 PolarHBondContact O-N 3.21Å; L285-M287 PolarHBondContact O-N 3.41Å; M287-A289 PolarHBondContact O-N 2.97Å
288	Q	95.7	Very high	91.6	Very high	106 Å²	106	63.1 Å²	63.1	50%	0.495	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	49	49.6	-171	-56.1	176.2	-74.3	0	0	110.4	F35 Y36 N39 M284 L285 R286 L290	F35-Q288 HydrophobicContact CE1-CB 4.08Å; F35-Q288 HydrophobicContact CZ-CB 4.36Å; Y36-Q288 VanDerWaalsContact CD1-O 3.25Å; Y36-Q288 WeakPolarHBondContact CD1-O 3.47Å; Y36-Q288 HydrophobicContact CE1-CB 4.38Å; N39-Q288 WeakPolarHBondContact CB-O 3.46Å; N39-Q288 PolarHBondContact ND2-O 2.67Å; N39-Q288 VanDerWaalsContact ND2-O 3.09Å; M284-Q288 PolarHBondContact O-N 2.88Å; L285-Q288 PolarHBondContact O-N 3.02Å; R286-Q288 VanDerWaalsContact C-N 3.27Å; Q288-L290 PolarHBondContact O-N 3.06Å
289	A	96.5	Very high	92.2	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.337	C	S	.	.			trans	-76	-14.6	-178.8	0	0	0	0	0	113.1	N39 L40 W43 M284 M287	N39-A289 HydrophobicContact CB-CB 4.29Å; L40-A289 HydrophobicContact CB-CB 4.48Å; W43-A289 HydrophobicContact CB-CB 4Å; W43-A289 HydrophobicContact CG-CB 4.45Å; M284-A289 HydrophobicContact CG-CB 3.68Å; M284-A289 PolarHBondContact O-N 3.45Å; M287-A289 PolarHBondContact O-N 2.97Å
290	L	96.3	Very high	92.5	Very high	39 Å²	39	62.4 Å²	62.4	20%	0.204	33%	0.326	C	S	.	.	S	Bend	trans	-130.6	140.4	172.5	-63.5	176.4	0	0	0	109.1	M284 Q288 T333 L334 W339	M284-L290 HydrophobicContact SD-CD1 3.57Å; M284-L290 VanDerWaalsContact SD-CD1 3.57Å; M284-L290 HydrophobicContact SD-CG 4.03Å; Q288-L290 PolarHBondContact O-N 3.06Å; L290-T333 CarbonylContact C-O 3.55Å; L290-L334 HydrophobicContact CD2-CD2 4.29Å; L290-L334 HydrophobicContact CD2-CG 4.09Å; L290-W339 HydrophobicContact CD2-CZ2 4.34Å
291	E	96	Very high	92.5	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	126.7	174	-174.4	162.8	-147.7	0	0	110.7	Y36 Y293 K295 L301 A302 Y309 G332 T333	Y36-E291 HydrophobicContact CD1-CB 3.93Å; Y36-E291 HydrophobicContact CD2-CB 3.65Å; Y36-E291 HydrophobicContact CD2-CG 4.05Å; Y36-E291 HydrophobicContact CE1-CB 3.91Å; Y36-E291 HydrophobicContact CE1-CG 4.28Å; Y36-E291 HydrophobicContact CE2-CB 3.58Å; Y36-E291 HydrophobicContact CE2-CG 3.5Å; Y36-E291 VanDerWaalsContact CE2-CG 3.5Å; Y36-E291 WeakPolarHBondContact CE2-OE1 3.45Å; Y36-E291 HydrophobicContact CG-CB 3.82Å; E291-Y293 PolarHBondContact O-N 3.44Å; E291-K295 WeakPolarHBondContact OE1-CE 3.45Å; E291-K295 IonicContact OE1-NZ 3.62Å; E291-K295 PolarHBondContact OE1-NZ 3.23Å; E291-L301 VanDerWaalsContact OE1-CA 3.26Å; E291-L301 WeakPolarHBondContact OE1-CA 3.5Å; E291-A302 PolarHBondContact OE1-N 2.72Å; E291-A302 PolarHBondContact OE2-N 3.41Å; E291-Y309 WeakPolarHBondContact OE2-CE1 3.47Å; E291-Y309 VanDerWaalsContact OE2-CZ 3.26Å; E291-Y309 PolarHBondContact OE2-OH 3.19Å; E291-G332 CarbonylContact O-C 3.6Å; E291-G332 WeakPolarHBondContact O-CA 3.49Å; E291-T333 WeakPolarHBondContact CA-O 3.33Å; E291-T333 VanDerWaalsContact CB-O 3.31Å; E291-T333 WeakPolarHBondContact CB-O 3.22Å; E291-T333 PolarHBondContact N-O 3.41Å; E291-T333 PolarHBondContact O-N 3.32Å
292	P	94.7	Very high	92.5	Very high	64 Å²	64	58.4 Å²	58.4	42%	0.416	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	130.6	170.6	-19.3	32.2	0	0	0	111.1	K295	P292-K295 WeakPolarHBondContact O-CG 3.16Å
293	Y	96.1	Very high	92.5	Very high	19 Å²	19	57.9 Å²	57.9	8%	0.075	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	139.4	175.3	-175.9	-84.1	0	0	0	110.4	E291 L301 Y309 A312 R313 V316 Y330 V331	E291-Y293 PolarHBondContact O-N 3.44Å; Y293-L301 HydrophobicContact CD2-CD1 4.48Å; Y293-L301 HydrophobicContact CD2-CD2 3.91Å; Y293-L301 HydrophobicContact CE2-CD1 4.22Å; Y293-L301 HydrophobicContact CE2-CD2 4.45Å; Y293-Y309 AromaticContact CD2-CD1 3.93Å; Y293-Y309 HydrophobicContact CD2-CD1 3.93Å; Y293-Y309 AromaticContact CD2-CG 3.98Å; Y293-Y309 HydrophobicContact CD2-CG 3.98Å; Y293-Y309 HydrophobicContact CE2-CD1 4.4Å; Y293-Y309 AromaticContact CE2-CG 3.98Å; Y293-Y309 HydrophobicContact CE2-CG 3.98Å; Y293-A312 HydrophobicContact CD1-CB 3.8Å; Y293-A312 HydrophobicContact CE1-CB 4.34Å; Y293-A312 HydrophobicContact CG-CB 3.96Å; Y293-R313 HydrophobicContact CE1-CB 3.98Å; Y293-V316 HydrophobicContact CD1-CG2 3.97Å; Y293-V316 HydrophobicContact CE1-CG2 4.36Å; Y293-Y330 CarbonylContact O-C 3.53Å; Y293-Y330 VanDerWaalsContact O-CA 3.27Å; Y293-Y330 WeakPolarHBondContact O-CA 3.29Å; Y293-V331 HydrophobicContact CD1-CG2 4.37Å; Y293-V331 PolarHBondContact N-O 3.17Å; Y293-V331 PolarHBondContact O-N 3.18Å
294	P	94.6	Very high	92.1	Very high	36 Å²	36	62.9 Å²	62.9	23%	0.234	33%	0.327	C	S	.	.	S	Bend	cis	-74.5	163.6	-0.2	32.5	-35.2	0	0	0	112.6	T328 I329 Y330	P294-T328 HydrophobicContact CG-CG2 3.97Å; P294-I329 WeakPolarHBondContact CD-O 3.43Å; P294-Y330 WeakPolarHBondContact O-CD1 3.41Å; P294-Y330 WeakPolarHBondContact O-CE1 3.47Å
295	K	91.2	Very high	91.8	Very high	59 Å²	59	64.2 Å²	64.2	26%	0.257	34%	0.337	S	S	.	.			trans	-106.9	160.3	165.3	-69.8	-170.9	174.4	169.1	0	109.8	Y36 E291 P292 S297 L300 L301	Y36-K295 PolarHBondContact OH-NZ 2.99Å; Y36-K295 VanDerWaalsContact OH-NZ 3.13Å; E291-K295 WeakPolarHBondContact OE1-CE 3.45Å; E291-K295 IonicContact OE1-NZ 3.62Å; E291-K295 PolarHBondContact OE1-NZ 3.23Å; P292-K295 WeakPolarHBondContact O-CG 3.16Å; K295-S297 PolarHBondContact O-N 2.89Å; K295-L300 HydrophobicContact CB-CB 4.24Å; K295-L300 HydrophobicContact CD-CB 3.71Å; K295-L300 WeakPolarHBondContact CD-O 3.45Å; K295-L300 PolarHBondContact NZ-O 2.87Å; K295-L301 HydrophobicContact CB-CD2 4.19Å; K295-L301 HydrophobicContact CB-CG 4.41Å; K295-L301 HydrophobicContact CD-CD2 3.87Å; K295-L301 HydrophobicContact CD-CG 4.33Å; K295-L301 HydrophobicContact CG-CD2 3.89Å
296	S	87.6	Confident	91.3	Very high	121 Å²	121	63 Å²	63	85%	0.846	33%	0.326	S	S	*	.	S	Bend	trans	-63.5	-29.5	-179.3	52.2	0	0	0	0	113.4	L300	S296-L300 VanDerWaalsContact OG-CD1 3.29Å; S296-L300 WeakPolarHBondContact OG-CD1 3.42Å
297	S	86.2	Confident	91.3	Very high	52 Å²	52	59.6 Å²	59.6	36%	0.364	32%	0.321	S	S	.	.	S	Bend	trans	-137.9	153.3	173.9	179.7	0	0	0	0	110.8	K295 D299 L300	K295-S297 PolarHBondContact O-N 2.89Å; S297-D299 VanDerWaalsContact C-N 3.33Å; S297-D299 PolarHBondContact OG-N 3.32Å; S297-L300 WeakPolarHBondContact O-CB 3.49Å; S297-L300 PolarHBondContact O-N 2.88Å
298	E	81.5	Confident	91.3	Very high	69 Å²	69	58.6 Å²	58.6	32%	0.322	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-65.9	-34	176.6	-64.7	-176.7	-139.2	0	0	112.5	L300 L301 K306	E298-L300 PolarHBondContact O-N 3.2Å; E298-L300 VanDerWaalsContact O-N 3.09Å; E298-L301 VanDerWaalsContact O-CB 3.3Å; E298-L301 WeakPolarHBondContact O-CB 3.44Å; E298-L301 PolarHBondContact O-N 3.46Å; E298-K306 VanDerWaalsContact CD-CD 3.43Å; E298-K306 HydrophobicContact CG-CD 4.12Å; E298-K306 HydrophobicContact CG-CG 3.94Å; E298-K306 WeakPolarHBondContact OE1-CD 3.2Å; E298-K306 WeakPolarHBondContact OE1-CE 3.42Å; E298-K306 IonicContact OE1-NZ 2.61Å; E298-K306 PolarHBondContact OE1-NZ 3.49Å; E298-K306 WeakPolarHBondContact OE2-CG 3.49Å
299	D	86.4	Confident	91.4	Very high	121 Å²	121	53.6 Å²	53.6	65%	0.647	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-64.2	-17.6	179.3	-64.7	-43	0	0	0	113.1	S297	S297-D299 VanDerWaalsContact C-N 3.33Å; S297-D299 PolarHBondContact OG-N 3.32Å
300	L	89.5	Confident	91.3	Very high	95 Å²	95	57.8 Å²	57.8	50%	0.497	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-84.4	-13.3	176	-57.7	176.5	0	0	0	112.4	K295 S296 S297 E298	K295-L300 HydrophobicContact CB-CB 4.24Å; K295-L300 HydrophobicContact CD-CB 3.71Å; K295-L300 WeakPolarHBondContact CD-O 3.45Å; K295-L300 PolarHBondContact NZ-O 2.87Å; S296-L300 VanDerWaalsContact OG-CD1 3.29Å; S296-L300 WeakPolarHBondContact OG-CD1 3.42Å; S297-L300 WeakPolarHBondContact O-CB 3.49Å; S297-L300 PolarHBondContact O-N 2.88Å; E298-L300 PolarHBondContact O-N 3.2Å; E298-L300 VanDerWaalsContact O-N 3.09Å
301	L	93	Very high	91.3	Very high	7 Å²	7	62.8 Å²	62.8	4%	0.037	33%	0.334	C	S	.	.	S	Bend	trans	-78.6	141.8	176.6	-67.3	168	0	0	0	110.3	E291 Y293 K295 E298 A303 K304 Y309	E291-L301 VanDerWaalsContact OE1-CA 3.26Å; E291-L301 WeakPolarHBondContact OE1-CA 3.5Å; Y293-L301 HydrophobicContact CD2-CD1 4.48Å; Y293-L301 HydrophobicContact CD2-CD2 3.91Å; Y293-L301 HydrophobicContact CE2-CD1 4.22Å; Y293-L301 HydrophobicContact CE2-CD2 4.45Å; K295-L301 HydrophobicContact CB-CD2 4.19Å; K295-L301 HydrophobicContact CB-CG 4.41Å; K295-L301 HydrophobicContact CD-CD2 3.87Å; K295-L301 HydrophobicContact CD-CG 4.33Å; K295-L301 HydrophobicContact CG-CD2 3.89Å; E298-L301 VanDerWaalsContact O-CB 3.3Å; E298-L301 WeakPolarHBondContact O-CB 3.44Å; E298-L301 PolarHBondContact O-N 3.46Å; L301-A303 VanDerWaalsContact C-N 3.28Å; L301-A303 PolarHBondContact O-N 3.09Å; L301-K304 WeakPolarHBondContact O-CG 3.49Å; L301-K304 PolarHBondContact O-N 3.34Å; L301-Y309 HydrophobicContact CB-CE2 3.71Å; L301-Y309 HydrophobicContact CD1-CD2 3.81Å; L301-Y309 HydrophobicContact CD1-CE2 3.81Å; L301-Y309 HydrophobicContact CD1-CG 4.41Å; L301-Y309 HydrophobicContact CD2-CD1 4.43Å; L301-Y309 HydrophobicContact CD2-CE1 4.07Å; L301-Y309 HydrophobicContact CD2-CE2 4.18Å; L301-Y309 HydrophobicContact CG-CE2 4.12Å
302	A	92.3	Very high	91.3	Very high	22 Å²	22	63 Å²	63	18%	0.182	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-42.7	-178.2	0	0	0	0	0	112.9	R33 Y36 E291 Y309	R33-A302 WeakPolarHBondContact CD-O 3.17Å; Y36-A302 HydrophobicContact CD2-CB 3.93Å; Y36-A302 HydrophobicContact CE2-CB 4.06Å; E291-A302 PolarHBondContact OE1-N 2.72Å; E291-A302 PolarHBondContact OE2-N 3.41Å; A302-Y309 PolarHBondContact N-OH 3.43Å
303	A	93.1	Very high	91.3	Very high	9 Å²	9	63.7 Å²	63.7	7%	0.074	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-5.4	178.9	0	0	0	0	0	114.6	L301 T305 Q308 Y309	L301-A303 VanDerWaalsContact C-N 3.28Å; L301-A303 PolarHBondContact O-N 3.09Å; A303-T305 HydrophobicContact CB-CG2 4.33Å; A303-T305 VanDerWaalsContact O-CG2 3.26Å; A303-T305 WeakPolarHBondContact O-CG2 3.12Å; A303-T305 PolarHBondContact O-N 3.34Å; A303-Q308 HydrophobicContact CB-CB 3.66Å; A303-Q308 HydrophobicContact CB-CG 3.64Å; A303-Y309 HydrophobicContact CB-CE2 3.93Å; A303-Y309 PolarHBondContact N-OH 3.02Å; A303-Y309 VanDerWaalsContact N-OH 3.12Å
304	K	87.7	Confident	91.2	Very high	143 Å²	143	68.3 Å²	68.3	62%	0.622	35%	0.35	S	S	*	.	S	Bend	trans	51.6	18.6	179.2	-55.8	-177.4	178.9	-178.4	0	116.1	L301	L301-K304 WeakPolarHBondContact O-CG 3.49Å; L301-K304 PolarHBondContact O-N 3.34Å
305	T	88.1	Confident	91.3	Very high	46 Å²	46	72.7 Å²	72.7	28%	0.282	36%	0.362	S	S	.	.	S	Bend	trans	-140.7	131.5	176.2	168.7	0	0	0	0	111	A303 L307 Q308 Y309	A303-T305 HydrophobicContact CB-CG2 4.33Å; A303-T305 VanDerWaalsContact O-CG2 3.26Å; A303-T305 WeakPolarHBondContact O-CG2 3.12Å; A303-T305 PolarHBondContact O-N 3.34Å; T305-L307 PolarHBondContact O-N 3.42Å; T305-L307 PolarHBondContact OG1-N 2.96Å; T305-Q308 HydrophobicContact CG2-CB 4.08Å; T305-Q308 HydrophobicContact CG2-CG 3.33Å; T305-Q308 WeakPolarHBondContact O-CB 3.32Å; T305-Q308 PolarHBondContact O-N 3.24Å; T305-Y309 VanDerWaalsContact O-CD2 3.28Å; T305-Y309 WeakPolarHBondContact O-CD2 3.36Å
306	K	84	Confident	91.4	Very high	98 Å²	98	70.9 Å²	70.9	43%	0.426	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-59.6	-27	177	-86.5	170.3	176.4	154.8	0	114.3	E298 Q308 Y309	E298-K306 VanDerWaalsContact CD-CD 3.43Å; E298-K306 HydrophobicContact CG-CD 4.12Å; E298-K306 HydrophobicContact CG-CG 3.94Å; E298-K306 WeakPolarHBondContact OE1-CD 3.2Å; E298-K306 WeakPolarHBondContact OE1-CE 3.42Å; E298-K306 IonicContact OE1-NZ 2.61Å; E298-K306 PolarHBondContact OE1-NZ 3.49Å; E298-K306 WeakPolarHBondContact OE2-CG 3.49Å; K306-Q308 PolarHBondContact O-N 3.4Å; K306-Y309 PolarHBondContact O-N 3.01Å
307	L	91.7	Very high	91.7	Very high	106 Å²	106	72.4 Å²	72.4	56%	0.555	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-61.2	-29.9	-179.9	-176.2	62.6	0	0	0	111.6	T305 Y309 E310	T305-L307 PolarHBondContact O-N 3.42Å; T305-L307 PolarHBondContact OG1-N 2.96Å; L307-Y309 PolarHBondContact O-N 2.73Å; L307-E310 HydrophobicContact CD1-CG 4.28Å; L307-E310 WeakPolarHBondContact CD1-OE1 3.37Å; L307-E310 WeakPolarHBondContact O-CG 3.42Å
308	Q	95.9	Very high	92.1	Very high	18 Å²	18	73.6 Å²	73.6	8%	0.084	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-73.4	-8.4	178.9	-69.9	-76.7	-30.8	0	0	113.4	A303 T305 K306 K336 D337	A303-Q308 HydrophobicContact CB-CB 3.66Å; A303-Q308 HydrophobicContact CB-CG 3.64Å; T305-Q308 HydrophobicContact CG2-CB 4.08Å; T305-Q308 HydrophobicContact CG2-CG 3.33Å; T305-Q308 WeakPolarHBondContact O-CB 3.32Å; T305-Q308 PolarHBondContact O-N 3.24Å; K306-Q308 PolarHBondContact O-N 3.4Å; Q308-K336 PolarHBondContact O-N 3.17Å; Q308-K336 VanDerWaalsContact OE1-N 3.14Å; Q308-D337 VanDerWaalsContact CD-CG 3.48Å; Q308-D337 PolarHBondContact NE2-OD1 3.13Å; Q308-D337 PolarHBondContact NE2-OD2 3.48Å; Q308-D337 VanDerWaalsContact NE2-OD2 3.17Å; Q308-D337 PolarHBondContact OE1-OD1 2.63Å; Q308-D337 PolarHBondContact OE1-OD2 3.35Å
309	Y	96.5	Very high	92.7	Very high	2 Å²	2	72.1 Å²	72.1	1%	0.008	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-126.3	20.7	-173.7	-58.6	-88.1	0	0	0	113	E291 Y293 L301 A302 A303 T305 K306 L307 Q311 A312 R313 T333	E291-Y309 WeakPolarHBondContact OE2-CE1 3.47Å; E291-Y309 VanDerWaalsContact OE2-CZ 3.26Å; E291-Y309 PolarHBondContact OE2-OH 3.19Å; Y293-Y309 AromaticContact CD2-CD1 3.93Å; Y293-Y309 HydrophobicContact CD2-CD1 3.93Å; Y293-Y309 AromaticContact CD2-CG 3.98Å; Y293-Y309 HydrophobicContact CD2-CG 3.98Å; Y293-Y309 HydrophobicContact CE2-CD1 4.4Å; Y293-Y309 AromaticContact CE2-CG 3.98Å; Y293-Y309 HydrophobicContact CE2-CG 3.98Å; L301-Y309 HydrophobicContact CB-CE2 3.71Å; L301-Y309 HydrophobicContact CD1-CD2 3.81Å; L301-Y309 HydrophobicContact CD1-CE2 3.81Å; L301-Y309 HydrophobicContact CD1-CG 4.41Å; L301-Y309 HydrophobicContact CD2-CD1 4.43Å; L301-Y309 HydrophobicContact CD2-CE1 4.07Å; L301-Y309 HydrophobicContact CD2-CE2 4.18Å; L301-Y309 HydrophobicContact CG-CE2 4.12Å; A302-Y309 PolarHBondContact N-OH 3.43Å; A303-Y309 HydrophobicContact CB-CE2 3.93Å; A303-Y309 PolarHBondContact N-OH 3.02Å; A303-Y309 VanDerWaalsContact N-OH 3.12Å; T305-Y309 VanDerWaalsContact O-CD2 3.28Å; T305-Y309 WeakPolarHBondContact O-CD2 3.36Å; K306-Y309 PolarHBondContact O-N 3.01Å; L307-Y309 PolarHBondContact O-N 2.73Å; Y309-Q311 VanDerWaalsContact C-N 3.31Å; Y309-Q311 PolarHBondContact O-N 3.38Å; Y309-A312 PolarHBondContact O-N 2.88Å; Y309-R313 WeakPolarHBondContact O-CB 3.4Å; Y309-R313 PolarHBondContact O-N 2.83Å; Y309-T333 HydrophobicContact CD1-CG2 3.77Å; Y309-T333 HydrophobicContact CE1-CG2 4.08Å
310	E	96	Very high	92.8	Very high	87 Å²	87	69.4 Å²	69.4	41%	0.407	33%	0.328	S	S	.	.	H	α-helix	trans	-58.8	-40.7	-177.1	-70.9	-169.7	140	0	0	113.5	L307 R313 K314	L307-E310 HydrophobicContact CD1-CG 4.28Å; L307-E310 WeakPolarHBondContact CD1-OE1 3.37Å; L307-E310 WeakPolarHBondContact O-CG 3.42Å; E310-R313 PolarHBondContact O-N 3.24Å; E310-R313 IonicContact OE1-NH2 2.84Å; E310-K314 WeakPolarHBondContact O-CB 3.39Å; E310-K314 PolarHBondContact O-N 2.96Å
311	Q	94.8	Very high	92.9	Very high	144 Å²	144	73.6 Å²	73.6	67%	0.673	34%	0.342	S	S	*	.	H	α-helix	trans	-67.3	-41.8	177.7	-62	-57	-31	0	0	111.6	Y309 R313 K314 R315	Y309-Q311 VanDerWaalsContact C-N 3.31Å; Y309-Q311 PolarHBondContact O-N 3.38Å; Q311-R313 PolarHBondContact O-N 3.32Å; Q311-K314 PolarHBondContact O-N 3.08Å; Q311-R315 WeakPolarHBondContact O-CB 3.41Å; Q311-R315 PolarHBondContact O-N 2.93Å
312	A	95.5	Very high	92.7	Very high	5 Å²	5	78.4 Å²	78.4	4%	0.041	37%	0.372	C	S	.	.	H	α-helix	trans	-62.9	-42.8	174.9	0	0	0	0	0	111.4	Y293 Y309 R315 V316 V331 T333	Y293-A312 HydrophobicContact CD1-CB 3.8Å; Y293-A312 HydrophobicContact CE1-CB 4.34Å; Y293-A312 HydrophobicContact CG-CB 3.96Å; Y309-A312 PolarHBondContact O-N 2.88Å; A312-R315 PolarHBondContact O-N 3.33Å; A312-V316 WeakPolarHBondContact O-CG2 3.36Å; A312-V316 PolarHBondContact O-N 2.83Å; A312-V331 HydrophobicContact CB-CG2 4.09Å; A312-T333 HydrophobicContact CB-CG2 3.78Å
313	R	94.7	Very high	92.3	Very high	78 Å²	78	80.7 Å²	80.7	29%	0.294	38%	0.383	S	S	.	.	H	α-helix	trans	-60.7	-44.8	174.5	-174.3	179.2	62.6	-177.6	-5.5	112.4	Y293 Y309 E310 Q311 R315 V316 R317	Y293-R313 HydrophobicContact CE1-CB 3.98Å; Y309-R313 WeakPolarHBondContact O-CB 3.4Å; Y309-R313 PolarHBondContact O-N 2.83Å; E310-R313 PolarHBondContact O-N 3.24Å; E310-R313 IonicContact OE1-NH2 2.84Å; Q311-R313 PolarHBondContact O-N 3.32Å; R313-R315 VanDerWaalsContact C-N 3.33Å; R313-V316 PolarHBondContact O-N 3.13Å; R313-R317 WeakPolarHBondContact O-CG 3.31Å; R313-R317 PolarHBondContact O-N 2.96Å; R313-R317 VanDerWaalsContact O-N 3.09Å
314	K	95.8	Very high	92	Very high	116 Å²	116	88.6 Å²	88.6	50%	0.504	42%	0.424	S	S	.	.	H	α-helix	trans	-59.7	-46.5	175.1	-176.9	-179.7	173.9	-174.6	0	110.1	E310 Q311 V316 R317 E318	E310-K314 WeakPolarHBondContact O-CB 3.39Å; E310-K314 PolarHBondContact O-N 2.96Å; Q311-K314 PolarHBondContact O-N 3.08Å; K314-V316 PolarHBondContact O-N 2.93Å; K314-R317 PolarHBondContact O-N 3.19Å; K314-E318 WeakPolarHBondContact CE-OE1 3.44Å; K314-E318 WeakPolarHBondContact CG-OE1 3.39Å; K314-E318 WeakPolarHBondContact O-CG 3.47Å; K314-E318 PolarHBondContact O-N 3.16Å
315	R	95.4	Very high	91.8	Very high	129 Å²	129	84.6 Å²	84.6	49%	0.487	41%	0.412	S	S	.	.	H	α-helix	trans	-63	-42.4	179.4	-174.9	56.5	177.4	166	0.6	113.2	Q311 A312 R313 E318 L319 V331	Q311-R315 WeakPolarHBondContact O-CB 3.41Å; Q311-R315 PolarHBondContact O-N 2.93Å; A312-R315 PolarHBondContact O-N 3.33Å; R313-R315 VanDerWaalsContact C-N 3.33Å; R315-E318 IonicContact NH1-OE2 2.83Å; R315-E318 PolarHBondContact O-N 3.35Å; R315-L319 HydrophobicContact CG-CD1 4.12Å; R315-L319 WeakPolarHBondContact O-CG 3.26Å; R315-L319 PolarHBondContact O-N 2.67Å; R315-V331 HydrophobicContact CG-CG1 4.16Å
316	V	94.3	Very high	91.5	Very high	21 Å²	21	90.8 Å²	90.8	13%	0.127	44%	0.443	C	S	.	.	H	α-helix	trans	-59.9	-46.9	174.8	170.1	0	0	0	0	110.5	Y293 A312 R313 K314 E318 L319 S320 V331	Y293-V316 HydrophobicContact CD1-CG2 3.97Å; Y293-V316 HydrophobicContact CE1-CG2 4.36Å; A312-V316 WeakPolarHBondContact O-CG2 3.36Å; A312-V316 PolarHBondContact O-N 2.83Å; R313-V316 PolarHBondContact O-N 3.13Å; K314-V316 PolarHBondContact O-N 2.93Å; V316-E318 VanDerWaalsContact C-N 3.32Å; V316-E318 PolarHBondContact O-N 3.38Å; V316-L319 PolarHBondContact O-N 3.21Å; V316-S320 WeakPolarHBondContact O-CB 3.46Å; V316-S320 PolarHBondContact O-N 3.32Å; V316-S320 PolarHBondContact O-OG 3.42Å; V316-S320 VanDerWaalsContact O-OG 3.08Å; V316-V331 HydrophobicContact CG2-CB 4.42Å; V316-V331 HydrophobicContact CG2-CG1 3.92Å; V316-V331 HydrophobicContact CG2-CG2 3.72Å
317	R	93.3	Very high	91.7	Very high	152 Å²	152	95.8 Å²	95.8	57%	0.574	46%	0.46	S	S	*	.	H	α-helix	trans	-61.4	-38.5	177.8	-71.9	174.6	-178.9	173.6	-1.3	112.9	R313 K314 K321	R313-R317 WeakPolarHBondContact O-CG 3.31Å; R313-R317 PolarHBondContact O-N 2.96Å; R313-R317 VanDerWaalsContact O-N 3.09Å; K314-R317 PolarHBondContact O-N 3.19Å; R317-K321 WeakPolarHBondContact O-CG 3.43Å; R317-K321 PolarHBondContact O-N 3.18Å
318	E	94.7	Very high	91.4	Very high	78 Å²	78	95 Å²	95	36%	0.364	46%	0.459	S	S	.	.	H	α-helix	trans	-64.6	-48.6	175.2	-72.8	168.1	-176.7	0	0	111	K314 R315 V316 S320 K321	K314-E318 WeakPolarHBondContact CE-OE1 3.44Å; K314-E318 WeakPolarHBondContact CG-OE1 3.39Å; K314-E318 WeakPolarHBondContact O-CG 3.47Å; K314-E318 PolarHBondContact O-N 3.16Å; R315-E318 IonicContact NH1-OE2 2.83Å; R315-E318 PolarHBondContact O-N 3.35Å; V316-E318 VanDerWaalsContact C-N 3.32Å; V316-E318 PolarHBondContact O-N 3.38Å; E318-S320 VanDerWaalsContact C-N 3.34Å; E318-S320 PolarHBondContact O-N 2.54Å; E318-K321 PolarHBondContact O-N 3Å
319	L	93.6	Very high	91.2	Very high	37 Å²	37	95.3 Å²	95.3	19%	0.194	46%	0.461	C	S	.	.	H	α-helix	trans	-63.6	-38.9	179.8	-71.1	172.3	0	0	0	112.2	R315 V316 K321 T322 V323 I329 V331	R315-L319 HydrophobicContact CG-CD1 4.12Å; R315-L319 WeakPolarHBondContact O-CG 3.26Å; R315-L319 PolarHBondContact O-N 2.67Å; V316-L319 PolarHBondContact O-N 3.21Å; L319-K321 PolarHBondContact O-N 3.04Å; L319-T322 WeakPolarHBondContact CA-OG1 3.49Å; L319-T322 PolarHBondContact O-N 2.95Å; L319-T322 PolarHBondContact O-OG1 3.25Å; L319-V323 PolarHBondContact O-N 2.84Å; L319-I329 HydrophobicContact CB-CD1 4.05Å; L319-I329 HydrophobicContact CB-CG2 3.97Å; L319-I329 HydrophobicContact CD1-CG2 4.11Å; L319-V331 HydrophobicContact CD1-CG1 3.76Å
320	S	89.9	Confident	91.1	Very high	64 Å²	64	102.2 Å²	102.2	45%	0.448	49%	0.488	S	S	.	.	H	α-helix	trans	-63.5	-20.8	177.9	-66.9	0	0	0	0	113.7	V316 E318 I329	V316-S320 WeakPolarHBondContact O-CB 3.46Å; V316-S320 PolarHBondContact O-N 3.32Å; V316-S320 PolarHBondContact O-OG 3.42Å; V316-S320 VanDerWaalsContact O-OG 3.08Å; E318-S320 VanDerWaalsContact C-N 3.34Å; E318-S320 PolarHBondContact O-N 2.54Å; S320-I329 VanDerWaalsContact CA-CD1 3.47Å
321	K	90.2	Very high	91	Very high	183 Å²	183	99.1 Å²	99.1	80%	0.796	48%	0.475	S	S	*	.	H	α-helix	trans	-83.5	-18	173	-66.8	174.1	-177.3	-173.4	0	113	R317 E318 L319	R317-K321 WeakPolarHBondContact O-CG 3.43Å; R317-K321 PolarHBondContact O-N 3.18Å; E318-K321 PolarHBondContact O-N 3Å; L319-K321 PolarHBondContact O-N 3.04Å
322	T	88.3	Confident	91	Very high	108 Å²	108	94.4 Å²	94.4	66%	0.663	47%	0.465	S	S	*	.	H	α-helix	trans	-105	-24.1	-173.8	58.4	0	0	0	0	113.7	L319	L319-T322 WeakPolarHBondContact CA-OG1 3.49Å; L319-T322 PolarHBondContact O-N 2.95Å; L319-T322 PolarHBondContact O-OG1 3.25Å
323	V	85.7	Confident	91	Very high	71 Å²	71	94.8 Å²	94.8	43%	0.43	47%	0.467	S	S	.	.	S	Bend	trans	-102.4	115.8	-179.9	-174.2	0	0	0	0	108.2	L319 T325 I329	L319-V323 PolarHBondContact O-N 2.84Å; V323-T325 VanDerWaalsContact C-N 3.28Å; V323-T325 HydrophobicContact CB-CG2 4.25Å; V323-T325 HydrophobicContact CG1-CG2 3.52Å; V323-T325 PolarHBondContact O-N 3.47Å; V323-I329 HydrophobicContact CB-CD1 3.81Å; V323-I329 HydrophobicContact CG2-CD1 3.99Å
324	D	85.4	Confident	91.1	Very high	174 Å²	174	91.1 Å²	91.1	93%	0.93	45%	0.454	S	S	*	.			trans	-74.2	81	175	-170.5	19	0	0	0	109.9
325	T	84.2	Confident	91.2	Very high	59 Å²	59	85.6 Å²	85.6	36%	0.362	43%	0.429	S	S	.	.			trans	-153.1	138.2	178.2	-167.7	0	0	0	0	111.5	V323 R327 I329	V323-T325 VanDerWaalsContact C-N 3.28Å; V323-T325 HydrophobicContact CB-CG2 4.25Å; V323-T325 HydrophobicContact CG1-CG2 3.52Å; V323-T325 PolarHBondContact O-N 3.47Å; T325-R327 HydrophobicContact CG2-CB 4.31Å; T325-R327 PolarHBondContact O-N 2.88Å; T325-R327 PolarHBondContact OG1-N 2.89Å; T325-I329 HydrophobicContact CG2-CG1 4.42Å
326	D	82.4	Confident	91.3	Very high	176 Å²	176	84.9 Å²	84.9	94%	0.941	43%	0.43	S	S	*	.	S	Bend	trans	-75	-5.4	171.2	-64.2	-36.8	0	0	0	112.9
327	R	86.8	Confident	91.5	Very high	204 Å²	204	84.2 Å²	84.2	77%	0.77	43%	0.426	S	S	*	.	S	Bend	trans	-78.2	139.6	-178.6	-66.1	-176.6	177.7	178.6	0.8	110.9	T325 I329	T325-R327 HydrophobicContact CG2-CB 4.31Å; T325-R327 PolarHBondContact O-N 2.88Å; T325-R327 PolarHBondContact OG1-N 2.89Å; R327-I329 PolarHBondContact O-N 3.05Å; R327-I329 VanDerWaalsContact O-N 3.16Å
328	T	86.7	Confident	91.7	Very high	88 Å²	88	77 Å²	77	54%	0.54	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-55.2	122.3	170	-53.8	0	0	0	0	110.3	P294 Y330	P294-T328 HydrophobicContact CG-CG2 3.97Å; T328-Y330 HydrophobicContact CG2-CD2 4.36Å; T328-Y330 HydrophobicContact CG2-CE1 4.26Å; T328-Y330 HydrophobicContact CG2-CE2 3.8Å; T328-Y330 VanDerWaalsContact O-CD2 3.22Å; T328-Y330 WeakPolarHBondContact O-CD2 3.45Å; T328-Y330 WeakPolarHBondContact O-CE2 3.27Å
329	I	91.8	Very high	91.8	Very high	26 Å²	26	77.1 Å²	77.1	13%	0.133	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-83.2	127.8	175.1	-60.1	-177.2	0	0	0	108.8	P294 L319 S320 V323 T325 R327	P294-I329 WeakPolarHBondContact CD-O 3.43Å; L319-I329 HydrophobicContact CB-CD1 4.05Å; L319-I329 HydrophobicContact CB-CG2 3.97Å; L319-I329 HydrophobicContact CD1-CG2 4.11Å; S320-I329 VanDerWaalsContact CA-CD1 3.47Å; V323-I329 HydrophobicContact CB-CD1 3.81Å; V323-I329 HydrophobicContact CG2-CD1 3.99Å; T325-I329 HydrophobicContact CG2-CG1 4.42Å; R327-I329 PolarHBondContact O-N 3.05Å; R327-I329 VanDerWaalsContact O-N 3.16Å
330	Y	92.6	Very high	92	Very high	146 Å²	146	78 Å²	78	57%	0.573	40%	0.399	S	S	*	.			trans	-108.6	144.5	175.9	-63.9	-92.1	0	0	0	111	Y293 P294 T328	Y293-Y330 CarbonylContact O-C 3.53Å; Y293-Y330 VanDerWaalsContact O-CA 3.27Å; Y293-Y330 WeakPolarHBondContact O-CA 3.29Å; P294-Y330 WeakPolarHBondContact O-CD1 3.41Å; P294-Y330 WeakPolarHBondContact O-CE1 3.47Å; T328-Y330 HydrophobicContact CG2-CD2 4.36Å; T328-Y330 HydrophobicContact CG2-CE1 4.26Å; T328-Y330 HydrophobicContact CG2-CE2 3.8Å; T328-Y330 VanDerWaalsContact O-CD2 3.22Å; T328-Y330 WeakPolarHBondContact O-CD2 3.45Å; T328-Y330 WeakPolarHBondContact O-CE2 3.27Å
331	V	94.1	Very high	92.3	Very high	23 Å²	23	75 Å²	75	14%	0.139	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	149.9	170.2	-60.4	0	0	0	0	109.3	Y293 A312 R315 V316 L319	Y293-V331 HydrophobicContact CD1-CG2 4.37Å; Y293-V331 PolarHBondContact N-O 3.17Å; Y293-V331 PolarHBondContact O-N 3.18Å; A312-V331 HydrophobicContact CB-CG2 4.09Å; R315-V331 HydrophobicContact CG-CG1 4.16Å; V316-V331 HydrophobicContact CG2-CB 4.42Å; V316-V331 HydrophobicContact CG2-CG1 3.92Å; V316-V331 HydrophobicContact CG2-CG2 3.72Å; L319-V331 HydrophobicContact CD1-CG1 3.76Å
332	G	94.6	Very high	92.7	Very high	45 Å²	45	66.3 Å²	66.3	46%	0.464	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	132.5	165.8	0	0	0	0	0	109.7	E291	E291-G332 CarbonylContact O-C 3.6Å; E291-G332 WeakPolarHBondContact O-CA 3.49Å
333	T	95.9	Very high	93.1	Very high	13 Å²	13	64.1 Å²	64.1	8%	0.08	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	171	177.1	-168.5	0	0	0	0	111.3	L290 E291 Y309 A312 W339	L290-T333 CarbonylContact C-O 3.55Å; E291-T333 WeakPolarHBondContact CA-O 3.33Å; E291-T333 VanDerWaalsContact CB-O 3.31Å; E291-T333 WeakPolarHBondContact CB-O 3.22Å; E291-T333 PolarHBondContact N-O 3.41Å; E291-T333 PolarHBondContact O-N 3.32Å; Y309-T333 HydrophobicContact CD1-CG2 3.77Å; Y309-T333 HydrophobicContact CE1-CG2 4.08Å; A312-T333 HydrophobicContact CB-CG2 3.78Å; T333-W339 PolarHBondContact OG1-NE1 3.05Å
334	L	97.4	Very high	93.7	Very high	1 Å²	1	60.8 Å²	60.8	1%	0.005	31%	0.308	C	S	.	.			trans	-104.9	166.6	154.3	-60.8	177.6	0	0	0	109.3	Y36 L37 L40 L290 E338 W339 A342	Y36-L334 VanDerWaalsContact CB-CD2 3.46Å; L37-L334 HydrophobicContact CD1-CD1 4.43Å; L40-L334 HydrophobicContact CD2-CD1 3.58Å; L290-L334 HydrophobicContact CD2-CD2 4.29Å; L290-L334 HydrophobicContact CD2-CG 4.09Å; L334-E338 HydrophobicContact CB-CB 3.73Å; L334-E338 HydrophobicContact CD1-CB 4.16Å; L334-E338 HydrophobicContact CG-CB 4.39Å; L334-W339 HydrophobicContact CB-CD2 4.07Å; L334-W339 HydrophobicContact CB-CG 3.96Å; L334-W339 HydrophobicContact CD1-CD2 4.17Å; L334-W339 HydrophobicContact CD1-CE3 4.23Å; L334-W339 HydrophobicContact CD1-CZ3 4.47Å; L334-W339 HydrophobicContact CG-CD2 4.4Å; L334-W339 HydrophobicContact CG-CZ2 4.38Å; L334-W339 VanDerWaalsContact N-NE1 3.19Å; L334-W339 VanDerWaalsContact O-CD1 3.27Å; L334-W339 PolarHBondContact O-NE1 3.25Å; L334-A342 HydrophobicContact CD1-CB 4.18Å
335	S	97.3	Very high	94.3	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.266	C	S	.	.			trans	-62.7	157.4	163.7	56.6	0	0	0	0	110.8	R33 D337 E338 W339	R33-S335 PolarHBondContact NH1-OG 3.18Å; R33-S335 PolarHBondContact NH2-OG 2.9Å; S335-D337 VanDerWaalsContact C-N 3.26Å; S335-D337 PolarHBondContact O-N 3.37Å; S335-E338 WeakPolarHBondContact CB-OE2 3.25Å; S335-E338 PolarHBondContact N-OE2 2.99Å; S335-E338 PolarHBondContact O-N 3.47Å; S335-E338 WeakPolarHBondContact OG-CB 3.44Å; S335-E338 VanDerWaalsContact OG-CD 3.32Å; S335-E338 WeakPolarHBondContact OG-CG 3.35Å; S335-E338 PolarHBondContact OG-N 2.75Å; S335-E338 PolarHBondContact OG-OE2 3.32Å; S335-W339 PolarHBondContact O-N 3.4Å
336	K	97.6	Very high	95	Very high	114 Å²	114	50.4 Å²	50.4	50%	0.496	25%	0.249	S	C	.	.	H	α-helix	trans	-52.2	-47	176.8	177.5	-170.6	169.6	-164.7	0	111	Q308 E338 W339 E340	Q308-K336 PolarHBondContact O-N 3.17Å; Q308-K336 VanDerWaalsContact OE1-N 3.14Å; K336-E338 PolarHBondContact O-N 2.81Å; K336-W339 WeakPolarHBondContact O-CB 3.09Å; K336-W339 PolarHBondContact O-N 2.88Å; K336-W339 VanDerWaalsContact O-N 3.14Å; K336-E340 WeakPolarHBondContact CE-OE1 3.42Å; K336-E340 IonicContact NZ-OE1 3.59Å; K336-E340 WeakPolarHBondContact O-CG 3.37Å; K336-E340 PolarHBondContact O-N 3.01Å
337	D	97.9	Very high	95.8	Very high	7 Å²	7	42 Å²	42	4%	0.037	21%	0.205	C	C	.	.	H	α-helix	trans	-63.2	-40.3	-179.5	-61.3	-14.8	0	0	0	112.6	R33 N208 E209 I210 Q308 S335 E340 V341	R33-D337 IonicContact NH2-OD2 3.47Å; R33-D337 PolarHBondContact NH2-OD2 3.34Å; N208-D337 HydrophobicContact CB-CB 4.18Å; N208-D337 WeakPolarHBondContact ND2-CA 3.46Å; N208-D337 PolarHBondContact ND2-O 2.81Å; E209-D337 WeakPolarHBondContact CB-OD2 3.07Å; E209-D337 WeakPolarHBondContact CG-OD2 3.32Å; I210-D337 HydrophobicContact CD1-CB 4.18Å; I210-D337 HydrophobicContact CG1-CB 4.04Å; Q308-D337 VanDerWaalsContact CD-CG 3.48Å; Q308-D337 PolarHBondContact NE2-OD1 3.13Å; Q308-D337 PolarHBondContact NE2-OD2 3.48Å; Q308-D337 VanDerWaalsContact NE2-OD2 3.17Å; Q308-D337 PolarHBondContact OE1-OD1 2.63Å; Q308-D337 PolarHBondContact OE1-OD2 3.35Å; S335-D337 VanDerWaalsContact C-N 3.26Å; S335-D337 PolarHBondContact O-N 3.37Å; D337-E340 PolarHBondContact O-N 3.24Å; D337-V341 WeakPolarHBondContact O-CG2 3.34Å; D337-V341 PolarHBondContact O-N 3.31Å; D337-V341 VanDerWaalsContact O-N 3.16Å
338	E	98	Very high	96.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-67.4	-36.8	174.7	-76	174.7	121.3	0	0	111.9	R33 L37 I210 L334 S335 K336 V341 A342	R33-E338 IonicContact NH1-OE2 3.89Å; L37-E338 HydrophobicContact CB-CB 4.18Å; L37-E338 HydrophobicContact CB-CG 3.89Å; L37-E338 HydrophobicContact CD2-CG 4.47Å; L37-E338 PolarHBondContact N-OE1 2.86Å; L37-E338 VanDerWaalsContact N-OE1 3.08Å; I210-E338 HydrophobicContact CD1-CB 4.21Å; I210-E338 HydrophobicContact CD1-CG 3.71Å; L334-E338 HydrophobicContact CB-CB 3.73Å; L334-E338 HydrophobicContact CD1-CB 4.16Å; L334-E338 HydrophobicContact CG-CB 4.39Å; S335-E338 WeakPolarHBondContact CB-OE2 3.25Å; S335-E338 PolarHBondContact N-OE2 2.99Å; S335-E338 PolarHBondContact O-N 3.47Å; S335-E338 WeakPolarHBondContact OG-CB 3.44Å; S335-E338 VanDerWaalsContact OG-CD 3.32Å; S335-E338 WeakPolarHBondContact OG-CG 3.35Å; S335-E338 PolarHBondContact OG-N 2.75Å; S335-E338 PolarHBondContact OG-OE2 3.32Å; K336-E338 PolarHBondContact O-N 2.81Å; E338-V341 PolarHBondContact O-N 3.24Å; E338-A342 VanDerWaalsContact O-CB 3.3Å; E338-A342 WeakPolarHBondContact O-CB 3.43Å; E338-A342 PolarHBondContact O-N 3.09Å
339	W	97.3	Very high	97	Very high	80 Å²	80	28.1 Å²	28.1	30%	0.303	14%	0.142	S	C	.	.	H	α-helix	trans	-65.5	-41	173.8	-87.9	125	0	0	0	112	L40 I271 L290 T333 L334 S335 K336 V341 A342 C343	L40-W339 HydrophobicContact CD2-CZ3 4.5Å; I271-W339 HydrophobicContact CD1-CH2 3.92Å; I271-W339 HydrophobicContact CD1-CZ3 4.19Å; L290-W339 HydrophobicContact CD2-CZ2 4.34Å; T333-W339 PolarHBondContact OG1-NE1 3.05Å; L334-W339 HydrophobicContact CB-CD2 4.07Å; L334-W339 HydrophobicContact CB-CG 3.96Å; L334-W339 HydrophobicContact CD1-CD2 4.17Å; L334-W339 HydrophobicContact CD1-CE3 4.23Å; L334-W339 HydrophobicContact CD1-CZ3 4.47Å; L334-W339 HydrophobicContact CG-CD2 4.4Å; L334-W339 HydrophobicContact CG-CZ2 4.38Å; L334-W339 VanDerWaalsContact N-NE1 3.19Å; L334-W339 VanDerWaalsContact O-CD1 3.27Å; L334-W339 PolarHBondContact O-NE1 3.25Å; S335-W339 PolarHBondContact O-N 3.4Å; K336-W339 WeakPolarHBondContact O-CB 3.09Å; K336-W339 PolarHBondContact O-N 2.88Å; K336-W339 VanDerWaalsContact O-N 3.14Å; W339-V341 VanDerWaalsContact C-N 3.31Å; W339-V341 PolarHBondContact O-N 2.97Å; W339-A342 HydrophobicContact CE3-CB 4.2Å; W339-A342 PolarHBondContact O-N 2.86Å; W339-C343 WeakPolarHBondContact O-CB 3.25Å; W339-C343 PolarHBondContact O-N 3.47Å; W339-C343 PolarHBondContact O-SG 3.19Å
340	E	97	Very high	97.3	Very high	56 Å²	56	26.9 Å²	26.9	26%	0.262	14%	0.136	S	C	.	.	H	α-helix	trans	-57.8	-45.8	175.4	-74.2	171.7	166.1	0	0	110.5	F206 N208 K336 D337 M344	F206-E340 HydrophobicContact CZ-CB 4.16Å; N208-E340 PolarHBondContact ND2-OE2 3.12Å; K336-E340 WeakPolarHBondContact CE-OE1 3.42Å; K336-E340 IonicContact NZ-OE1 3.59Å; K336-E340 WeakPolarHBondContact O-CG 3.37Å; K336-E340 PolarHBondContact O-N 3.01Å; D337-E340 PolarHBondContact O-N 3.24Å; E340-M344 WeakPolarHBondContact O-CG 3.33Å
341	V	97.9	Very high	97.6	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-67.8	-45	175.5	178.6	0	0	0	0	112.2	L37 I210 S211 L234 D337 E338 W339 C343 M344 Y345	L37-V341 HydrophobicContact CD2-CB 3.99Å; L37-V341 HydrophobicContact CD2-CG1 3.76Å; I210-V341 HydrophobicContact CD1-CB 4.48Å; I210-V341 HydrophobicContact CD1-CG2 3.87Å; I210-V341 HydrophobicContact CG1-CG2 4Å; S211-V341 VanDerWaalsContact CB-CG2 3.45Å; L234-V341 HydrophobicContact CD1-CG1 3.98Å; L234-V341 HydrophobicContact CD1-CG2 4.26Å; D337-V341 WeakPolarHBondContact O-CG2 3.34Å; D337-V341 PolarHBondContact O-N 3.31Å; D337-V341 VanDerWaalsContact O-N 3.16Å; E338-V341 PolarHBondContact O-N 3.24Å; W339-V341 VanDerWaalsContact C-N 3.31Å; W339-V341 PolarHBondContact O-N 2.97Å; V341-C343 PolarHBondContact O-N 3.48Å; V341-M344 VanDerWaalsContact O-CB 3.28Å; V341-M344 WeakPolarHBondContact O-CB 3.44Å; V341-M344 PolarHBondContact O-N 2.58Å; V341-Y345 HydrophobicContact CG1-CE2 4.09Å; V341-Y345 WeakPolarHBondContact O-CD2 3.39Å
342	A	98	Very high	97.8	Very high	1 Å²	1	21 Å²	21	1%	0.008	11%	0.112	C	C	.	.	H	α-helix	trans	-58.1	-37.5	178.9	0	0	0	0	0	111.8	L37 L40 F267 L334 E338 W339 M344 Y345	L37-A342 HydrophobicContact CD1-CB 3.86Å; L40-A342 HydrophobicContact CD2-CB 4.27Å; F267-A342 HydrophobicContact CD2-CB 4.16Å; F267-A342 WeakPolarHBondContact CD2-O 3.13Å; F267-A342 WeakPolarHBondContact CG-O 3.46Å; L334-A342 HydrophobicContact CD1-CB 4.18Å; E338-A342 VanDerWaalsContact O-CB 3.3Å; E338-A342 WeakPolarHBondContact O-CB 3.43Å; E338-A342 PolarHBondContact O-N 3.09Å; W339-A342 HydrophobicContact CE3-CB 4.2Å; W339-A342 PolarHBondContact O-N 2.86Å; A342-M344 PolarHBondContact O-N 3.48Å; A342-Y345 PolarHBondContact O-N 2.87Å
343	C	97.3	Very high	98	Very high	62 Å²	62	22.7 Å²	22.7	42%	0.419	11%	0.11	S	C	.	.	H	α-helix	trans	-67.8	-19.3	177.2	-68.7	0	0	0	0	113.6	L193 W339 V341 Y345	L193-C343 HydrophobicContact CD2-CB 4.17Å; L193-C343 WeakPolarHBondContact CD2-O 3.37Å; W339-C343 WeakPolarHBondContact O-CB 3.25Å; W339-C343 PolarHBondContact O-N 3.47Å; W339-C343 PolarHBondContact O-SG 3.19Å; V341-C343 PolarHBondContact O-N 3.48Å; C343-Y345 PolarHBondContact O-N 2.87Å
344	M	97.8	Very high	97.8	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.01	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-5.5	178.3	-64	176.4	-167.1	0	0	113.8	P189 D190 L193 I194 L197 F206 L213 E340 V341 A342	P189-M344 CarbonylContact C-O 3.58Å; P189-M344 VanDerWaalsContact CA-O 3.29Å; P189-M344 WeakPolarHBondContact CA-O 3.31Å; D190-M344 PolarHBondContact N-O 3.07Å; L193-M344 HydrophobicContact CD2-CG 4.45Å; I194-M344 HydrophobicContact CD1-CB 4.03Å; I194-M344 HydrophobicContact CD1-CG 3.95Å; I194-M344 HydrophobicContact CD1-SD 3.87Å; L197-M344 HydrophobicContact CD1-CE 3.6Å; L197-M344 HydrophobicContact CD1-CG 4.3Å; L197-M344 HydrophobicContact CD1-SD 4.45Å; F206-M344 HydrophobicContact CD1-CE 3.75Å; F206-M344 HydrophobicContact CE1-CE 3.35Å; F206-M344 HydrophobicContact CZ-CE 3.96Å; L213-M344 HydrophobicContact CD1-CE 3.95Å; L213-M344 HydrophobicContact CD1-SD 3.91Å; E340-M344 WeakPolarHBondContact O-CG 3.33Å; V341-M344 VanDerWaalsContact O-CB 3.28Å; V341-M344 WeakPolarHBondContact O-CB 3.44Å; V341-M344 PolarHBondContact O-N 2.58Å; A342-M344 PolarHBondContact O-N 3.48Å
345	Y	98.6	Very high	97.8	Very high	11 Å²	11	34 Å²	34	4%	0.043	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	146.5	-175.4	-67.9	-85.2	0	0	0	112.9	F155 T187 I188 P189 F232 F267 V341 A342 C343	F155-Y345 AromaticContact CD1-CD1 3.74Å; F155-Y345 HydrophobicContact CD1-CD1 3.74Å; F155-Y345 AromaticContact CD1-CE1 3.52Å; F155-Y345 HydrophobicContact CD1-CE1 3.52Å; F155-Y345 HydrophobicContact CD1-CG 4.49Å; F155-Y345 AromaticContact CE1-CD1 3.55Å; F155-Y345 HydrophobicContact CE1-CD1 3.55Å; F155-Y345 HydrophobicContact CE1-CD2 4.27Å; F155-Y345 AromaticContact CE1-CE1 3.7Å; F155-Y345 HydrophobicContact CE1-CE1 3.7Å; F155-Y345 HydrophobicContact CE1-CE2 4.38Å; F155-Y345 AromaticContact CE1-CG 3.87Å; F155-Y345 HydrophobicContact CE1-CG 3.87Å; T187-Y345 HydrophobicContact CG2-CD1 4.32Å; I188-Y345 WeakPolarHBondContact O-CA 3.2Å; P189-Y345 HydrophobicContact CB-CE1 4.44Å; P189-Y345 HydrophobicContact CG-CD1 4.27Å; P189-Y345 HydrophobicContact CG-CE1 3.75Å; F232-Y345 VanDerWaalsContact CE1-OH 3.26Å; F232-Y345 WeakPolarHBondContact CE1-OH 3.42Å; F232-Y345 WeakPolarHBondContact CZ-OH 3.43Å; F267-Y345 WeakPolarHBondContact CD1-O 3.26Å; F267-Y345 VanDerWaalsContact CE1-CB 3.48Å; F267-Y345 HydrophobicContact CE2-CD2 4.41Å; F267-Y345 HydrophobicContact CE2-CG 4.34Å; F267-Y345 HydrophobicContact CZ-CG 4.07Å; V341-Y345 HydrophobicContact CG1-CE2 4.09Å; V341-Y345 WeakPolarHBondContact O-CD2 3.39Å; A342-Y345 PolarHBondContact O-N 2.87Å; C343-Y345 PolarHBondContact O-N 2.87Å
346	I	98.8	Very high	97.8	Very high	3 Å²	3	35.8 Å²	35.8	2%	0.015	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	147.8	169.1	52.9	168.6	0	0	0	109.5	T187 I188 D190 F247 K264 L265 K266	T187-I346 VanDerWaalsContact CA-O 3.31Å; T187-I346 WeakPolarHBondContact CA-O 3.17Å; I188-I346 HydrophobicContact CD1-CD1 4.18Å; I188-I346 HydrophobicContact CG1-CD1 3.96Å; I188-I346 HydrophobicContact CG1-CG1 3.77Å; I188-I346 PolarHBondContact N-O 3.5Å; I188-I346 WeakPolarHBondContact O-CG1 3.4Å; I188-I346 PolarHBondContact O-N 2.67Å; D190-I346 HydrophobicContact CB-CG2 3.99Å; F247-I346 HydrophobicContact CD2-CD1 3.6Å; F247-I346 HydrophobicContact CE2-CD1 3.93Å; F247-I346 HydrophobicContact CG-CD1 4.47Å; K264-I346 HydrophobicContact CD-CD1 4.31Å; K264-I346 HydrophobicContact CG-CD1 4.1Å; L265-I346 CarbonylContact O-C 3.54Å; L265-I346 VanDerWaalsContact O-CA 3.28Å; L265-I346 WeakPolarHBondContact O-CA 3.48Å; K266-I346 HydrophobicContact CG-CG2 3.91Å
347	T	98.8	Very high	97.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	140.9	167.4	-62.8	0	0	0	0	109.2	I44 T48 G186 T187 Y263 L265	I44-T347 WeakPolarHBondContact CG2-OG1 3.4Å; T48-T347 HydrophobicContact CG2-CG2 3.52Å; T48-T347 WeakPolarHBondContact OG1-CG2 3.2Å; G186-T347 WeakPolarHBondContact O-CA 3.29Å; G186-T347 WeakPolarHBondContact O-CG2 3.33Å; T187-T347 PolarHBondContact OG1-OG1 2.69Å; T187-T347 VanDerWaalsContact OG1-OG1 3.11Å; Y263-T347 HydrophobicContact CE2-CG2 4.26Å; L265-T347 PolarHBondContact N-O 3.27Å; L265-T347 PolarHBondContact O-N 3Å
348	F	98.9	Very high	97.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	158.4	176.2	62.3	-101.1	0	0	0	111.8	L157 F184 I185 G186 I188 F247 F250 Y263 F350	L157-F348 HydrophobicContact CD1-CZ 4.01Å; F184-F348 HydrophobicContact CD1-CE2 4.08Å; F184-F348 AromaticContact CE1-CE2 3.94Å; F184-F348 HydrophobicContact CE1-CE2 3.94Å; F184-F348 HydrophobicContact CE1-CZ 4.21Å; F184-F348 HydrophobicContact CG-CE2 4.48Å; F184-F348 HydrophobicContact CZ-CE2 4.21Å; F184-F348 HydrophobicContact CZ-CZ 4.22Å; I185-F348 WeakPolarHBondContact CA-O 3.46Å; G186-F348 VanDerWaalsContact CA-CZ 3.46Å; G186-F348 VanDerWaalsContact N-CE2 3.35Å; G186-F348 PolarHBondContact N-O 3.23Å; G186-F348 PolarHBondContact O-N 3.25Å; I188-F348 HydrophobicContact CD1-CD1 4.27Å; I188-F348 HydrophobicContact CD1-CE1 4.11Å; I188-F348 HydrophobicContact CG1-CD1 4.23Å; I188-F348 HydrophobicContact CG1-CE1 4.12Å; I188-F348 HydrophobicContact CG2-CE1 4.08Å; F247-F348 HydrophobicContact CE2-CB 4.1Å; F247-F348 HydrophobicContact CE2-CD1 4.29Å; F247-F348 HydrophobicContact CE2-CG 4.44Å; F247-F348 HydrophobicContact CZ-CB 4.13Å; F250-F348 AromaticContact CE1-CD1 3.89Å; F250-F348 HydrophobicContact CE1-CD1 3.89Å; F250-F348 HydrophobicContact CE1-CD2 4.34Å; F250-F348 AromaticContact CE1-CE1 3.72Å; F250-F348 HydrophobicContact CE1-CE1 3.72Å; F250-F348 HydrophobicContact CE1-CE2 4.19Å; F250-F348 HydrophobicContact CE1-CG 4.19Å; F250-F348 AromaticContact CE1-CZ 3.88Å; F250-F348 HydrophobicContact CE1-CZ 3.88Å; F250-F348 HydrophobicContact CZ-CD1 4.43Å; F250-F348 HydrophobicContact CZ-CD2 4.44Å; F250-F348 AromaticContact CZ-CE1 3.88Å; F250-F348 HydrophobicContact CZ-CE1 3.88Å; F250-F348 AromaticContact CZ-CE2 3.89Å; F250-F348 HydrophobicContact CZ-CE2 3.89Å; F250-F348 AromaticContact CZ-CZ 3.58Å; F250-F348 HydrophobicContact CZ-CZ 3.58Å; Y263-F348 VanDerWaalsContact O-CA 3.3Å; Y263-F348 WeakPolarHBondContact O-CA 3.26Å; F348-F350 HydrophobicContact CB-CD2 4.47Å; F348-F350 HydrophobicContact CB-CE2 4.13Å; F348-F350 AromaticContact CD2-CD2 3.65Å; F348-F350 HydrophobicContact CD2-CD2 3.65Å; F348-F350 AromaticContact CD2-CE2 3.8Å; F348-F350 HydrophobicContact CD2-CE2 3.8Å; F348-F350 HydrophobicContact CE2-CD2 4.3Å; F348-F350 HydrophobicContact CG-CD2 4.36Å; F348-F350 HydrophobicContact CG-CE2 4.11Å
349	M	98.9	Very high	97.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	130.4	167.1	177.7	-177.4	-71.9	0	0	108.8	D51 A52 R55 Y183 F184 I185 V262 Y263	D51-M349 HydrophobicContact CB-CE 4.25Å; A52-M349 HydrophobicContact CB-CE 3.76Å; R55-M349 VanDerWaalsContact CD-SD 3.57Å; Y183-M349 HydrophobicContact CD1-CG 3.69Å; Y183-M349 HydrophobicContact CD1-SD 3.64Å; Y183-M349 HydrophobicContact CE1-CG 4.36Å; Y183-M349 HydrophobicContact CE1-SD 3.88Å; F184-M349 WeakPolarHBondContact O-CA 3.45Å; I185-M349 HydrophobicContact CG2-CB 4.03Å; I185-M349 HydrophobicContact CG2-CE 3.83Å; I185-M349 HydrophobicContact CG2-CG 3.87Å; V262-M349 WeakPolarHBondContact CA-O 3.47Å; V262-M349 HydrophobicContact CB-CB 4.18Å; V262-M349 HydrophobicContact CB-CG 3.95Å; V262-M349 WeakPolarHBondContact CB-O 3.28Å; V262-M349 HydrophobicContact CB-SD 4.17Å; V262-M349 HydrophobicContact CG1-CG 4.44Å; V262-M349 HydrophobicContact CG1-SD 4.01Å; V262-M349 HydrophobicContact CG2-CG 4.06Å; V262-M349 HydrophobicContact CG2-SD 4.37Å; V262-M349 PolarHBondContact N-O 2.81Å; Y263-M349 HydrophobicContact CD1-CB 3.92Å; Y263-M349 HydrophobicContact CD1-SD 4.32Å; Y263-M349 HydrophobicContact CD2-CB 4.22Å; Y263-M349 HydrophobicContact CE1-CB 3.58Å; Y263-M349 HydrophobicContact CE1-CE 3.75Å; Y263-M349 HydrophobicContact CE1-CG 4.26Å; Y263-M349 HydrophobicContact CE1-SD 3.71Å; Y263-M349 HydrophobicContact CE2-CB 3.9Å; Y263-M349 HydrophobicContact CG-CB 4.24Å; Y263-M349 PolarHBondContact N-O 3.24Å; Y263-M349 PolarHBondContact O-N 3.07Å
350	F	98.9	Very high	97.8	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	151.1	169.4	-71.5	-107.3	0	0	0	109.8	Y183 F184 F247 F250 K251 L254 M259 R260 L261 F348	Y183-F350 CarbonylContact C-O 3.56Å; Y183-F350 VanDerWaalsContact CA-O 3.25Å; Y183-F350 WeakPolarHBondContact CA-O 3.26Å; F184-F350 PolarHBondContact N-O 3.23Å; F184-F350 PolarHBondContact O-N 3.36Å; F247-F350 HydrophobicContact CZ-CE2 4.19Å; F247-F350 HydrophobicContact CZ-CZ 4.19Å; F250-F350 AromaticContact CE1-CE2 3.98Å; F250-F350 HydrophobicContact CE1-CE2 3.98Å; F250-F350 HydrophobicContact CE1-CZ 4.42Å; F250-F350 HydrophobicContact CZ-CE2 4.39Å; K251-F350 HydrophobicContact CB-CE1 4.44Å; K251-F350 HydrophobicContact CB-CZ 4.3Å; K251-F350 HydrophobicContact CG-CE1 4.02Å; K251-F350 HydrophobicContact CG-CZ 4.27Å; L254-F350 HydrophobicContact CB-CD1 4.14Å; L254-F350 HydrophobicContact CB-CE1 3.98Å; L254-F350 HydrophobicContact CD1-CD1 3.81Å; L254-F350 HydrophobicContact CD1-CD2 3.58Å; L254-F350 HydrophobicContact CD1-CE1 3.65Å; L254-F350 HydrophobicContact CD1-CE2 3.43Å; L254-F350 VanDerWaalsContact CD1-CE2 3.43Å; L254-F350 HydrophobicContact CD1-CG 3.78Å; L254-F350 HydrophobicContact CD1-CZ 3.46Å; L254-F350 VanDerWaalsContact CD1-CZ 3.46Å; M259-F350 HydrophobicContact CB-CB 4.16Å; M259-F350 HydrophobicContact CB-CD1 4.1Å; M259-F350 HydrophobicContact CE-CB 3.73Å; R260-F350 CarbonylContact O-C 3.57Å; R260-F350 VanDerWaalsContact O-CA 3.23Å; R260-F350 WeakPolarHBondContact O-CA 3.37Å; L261-F350 HydrophobicContact CB-CD1 4.06Å; L261-F350 HydrophobicContact CB-CE1 3.74Å; L261-F350 HydrophobicContact CB-CZ 4.18Å; L261-F350 HydrophobicContact CD1-CD1 4.37Å; L261-F350 HydrophobicContact CD1-CD2 4.04Å; L261-F350 HydrophobicContact CD1-CE1 3.93Å; L261-F350 HydrophobicContact CD1-CE2 3.55Å; L261-F350 HydrophobicContact CD1-CG 4.42Å; L261-F350 HydrophobicContact CD1-CZ 3.49Å; L261-F350 VanDerWaalsContact CD1-CZ 3.49Å; L261-F350 HydrophobicContact CG-CE1 4.44Å; L261-F350 HydrophobicContact CG-CZ 4.39Å; F348-F350 HydrophobicContact CB-CD2 4.47Å; F348-F350 HydrophobicContact CB-CE2 4.13Å; F348-F350 AromaticContact CD2-CD2 3.65Å; F348-F350 HydrophobicContact CD2-CD2 3.65Å; F348-F350 AromaticContact CD2-CE2 3.8Å; F348-F350 HydrophobicContact CD2-CE2 3.8Å; F348-F350 HydrophobicContact CE2-CD2 4.3Å; F348-F350 HydrophobicContact CG-CD2 4.36Å; F348-F350 HydrophobicContact CG-CE2 4.11Å
351	Q	98.6	Very high	97.9	Very high	23 Å²	23	30.2 Å²	30.2	11%	0.107	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	135.4	175.1	-174.5	-175.6	30.9	0	0	109.4	E59 G182 Y183 M259 R260 V262 I353	E59-Q351 PolarHBondContact OE2-NE2 3Å; G182-Q351 CarbonylContact O-C 3.36Å; G182-Q351 WeakPolarHBondContact O-CA 3.42Å; Y183-Q351 HydrophobicContact CD1-CB 4Å; Y183-Q351 HydrophobicContact CD1-CG 4.3Å; Y183-Q351 HydrophobicContact CE1-CB 3.76Å; Y183-Q351 HydrophobicContact CE1-CG 3.84Å; Y183-Q351 HydrophobicContact CE2-CG 4.47Å; Y183-Q351 PolarHBondContact OH-NE2 2.91Å; Y183-Q351 VanDerWaalsContact OH-NE2 3.12Å; M259-Q351 CarbonylContact C-O 3.46Å; M259-Q351 WeakPolarHBondContact CA-O 3.4Å; R260-Q351 PolarHBondContact N-O 2.96Å; R260-Q351 PolarHBondContact O-N 2.89Å; V262-Q351 HydrophobicContact CG2-CB 3.74Å; Q351-I353 PolarHBondContact O-N 2.61Å
352	K	98.5	Very high	97.9	Very high	23 Å²	23	32.5 Å²	32.5	10%	0.1	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	120.6	171.1	-171.1	81.4	169.6	-167.9	0	109.1	C175 L178 K179 V180 G181 G182 F257 M259 R354	C175-K352 PolarHBondContact O-NZ 3.35Å; L178-K352 HydrophobicContact CD2-CB 4.13Å; L178-K352 HydrophobicContact CG-CB 4.42Å; K179-K352 WeakPolarHBondContact O-CB 3.38Å; V180-K352 HydrophobicContact CG2-CG 4.46Å; G181-K352 PolarHBondContact N-O 3.09Å; G182-K352 PolarHBondContact O-N 3.48Å; F257-K352 WeakPolarHBondContact O-CD 3.3Å; F257-K352 VanDerWaalsContact O-CE 3.3Å; F257-K352 WeakPolarHBondContact O-CE 3.29Å; F257-K352 PolarHBondContact O-NZ 3.37Å; M259-K352 HydrophobicContact CE-CB 4.39Å; M259-K352 VanDerWaalsContact SD-CA 3.58Å; M259-K352 HydrophobicContact SD-CB 3.69Å; M259-K352 HydrophobicContact SD-CD 3.38Å; M259-K352 WeakPolarHBondContact SD-CD 3.49Å; M259-K352 HydrophobicContact SD-CG 4.14Å; K352-R354 WeakPolarHBondContact CE-O 3.13Å
353	I	97.6	Very high	97.9	Very high	81 Å²	81	35.2 Å²	35.2	42%	0.415	16%	0.161	S	C	.	.			trans	-111	-12.9	-177.3	60.4	164.5	0	0	0	114	G258 R260 Q351	G258-I353 VanDerWaalsContact O-CG1 3.27Å; G258-I353 WeakPolarHBondContact O-CG1 2.87Å; G258-I353 PolarHBondContact O-N 3.03Å; R260-I353 HydrophobicContact CB-CD1 4.16Å; R260-I353 HydrophobicContact CB-CG1 4.4Å; R260-I353 HydrophobicContact CB-CG2 3.93Å; Q351-I353 PolarHBondContact O-N 2.61Å
354	R	91.9	Very high	97.9	Very high	217 Å²	217	32.7 Å²	32.7	82%	0.819	14%	0.137	S	C	*	.			trans	-156.9	0	176.5	63.7	-178.4	178.7	-176.4	-0.8	111.1	K352	K352-R354 WeakPolarHBondContact CE-O 3.13Å

Retrieved 354 of 354 residues in 352.3 ms (Link to these results)

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