A0A077YZE9_TRITR Loading...

Guanylate kin domain containing protein

AlphaFold DB , UniProt , Accession A0A077YZE9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 527 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	42.8	Very low	48.3	Very low	169 Å²	169	127.5 Å²	127.5	83%	0.833	63%	0.627	S	S	*	*				0	-83.4	0	-61.9	-161.8	-82.8	0	0	113	R3 E4 V5	M1-R3 VanDerWaalsContact C-N 3.28Å; M1-R3 PolarHBondContact O-N 2.73Å; M1-E4 VanDerWaalsContact CA-OE2 3.28Å; M1-E4 WeakPolarHBondContact CA-OE2 3.38Å; M1-E4 PolarHBondContact N-OE2 2.7Å; M1-E4 WeakPolarHBondContact O-CA 3.16Å; M1-E4 WeakPolarHBondContact O-CB 3.18Å; M1-E4 PolarHBondContact O-N 3.49Å; M1-V5 PolarHBondContact O-N 3.05Å; M1-V5 VanDerWaalsContact O-N 3.16Å
2	F	40.3	Very low	48.4	Very low	110 Å²	110	126.8 Å²	126.8	48%	0.482	63%	0.629	S	S	.	*	H	α-helix	trans	-50.5	-41.1	-172.2	-140.1	-76	0	0	0	114.9	E4 V5 L6 L24 I27	F2-E4 PolarHBondContact O-N 3.33Å; F2-V5 PolarHBondContact O-N 3.26Å; F2-L6 HydrophobicContact CD1-CD1 4.47Å; F2-L6 PolarHBondContact O-N 3.36Å; F2-L24 HydrophobicContact CZ-CD2 4.09Å; F2-I27 HydrophobicContact CD2-CG2 4.23Å; F2-I27 HydrophobicContact CE2-CG2 4.13Å
3	R	45.3	Very low	48.5	Very low	217 Å²	217	130.8 Å²	130.8	82%	0.819	64%	0.644	S	S	*	*	H	α-helix	trans	-73.5	-7.2	178.4	-150	178.2	-167.8	173.7	4.9	115	M1	M1-R3 VanDerWaalsContact C-N 3.28Å; M1-R3 PolarHBondContact O-N 2.73Å
4	E	55	Low	48.7	Very low	122 Å²	122	128.8 Å²	128.8	57%	0.57	65%	0.65	S	S	*	*	H	α-helix	trans	-103.3	-33	176	-65.7	158.5	108.4	0	0	111.5	M1 F2 L6 K7	M1-E4 VanDerWaalsContact CA-OE2 3.28Å; M1-E4 WeakPolarHBondContact CA-OE2 3.38Å; M1-E4 PolarHBondContact N-OE2 2.7Å; M1-E4 WeakPolarHBondContact O-CA 3.16Å; M1-E4 WeakPolarHBondContact O-CB 3.18Å; M1-E4 PolarHBondContact O-N 3.49Å; F2-E4 PolarHBondContact O-N 3.33Å; E4-L6 VanDerWaalsContact C-N 3.27Å; E4-L6 PolarHBondContact O-N 3.38Å; E4-K7 WeakPolarHBondContact O-CB 3.3Å; E4-K7 PolarHBondContact O-N 3.06Å
5	V	53.5	Low	48.7	Very low	51 Å²	51	127.4 Å²	127.4	31%	0.309	65%	0.65	S	S	.	*	H	α-helix	trans	-56.1	-46.8	168.7	-177.9	0	0	0	0	109.6	M1 F2 K7 K8 W20	M1-V5 PolarHBondContact O-N 3.05Å; M1-V5 VanDerWaalsContact O-N 3.16Å; F2-V5 PolarHBondContact O-N 3.26Å; V5-K7 PolarHBondContact O-N 2.77Å; V5-K7 VanDerWaalsContact O-N 3.1Å; V5-K8 PolarHBondContact O-N 3.19Å; V5-K8 VanDerWaalsContact O-N 3.09Å; V5-W20 HydrophobicContact CG1-CH2 4.49Å; V5-W20 HydrophobicContact CG1-CZ3 3.82Å
6	L	53	Low	48.3	Very low	90 Å²	90	122.9 Å²	122.9	47%	0.471	63%	0.628	S	S	.	*	G	3₁₀ helix	trans	-60.2	-18.3	174.3	-70.5	170.3	0	0	0	114.7	F2 E4	F2-L6 HydrophobicContact CD1-CD1 4.47Å; F2-L6 PolarHBondContact O-N 3.36Å; E4-L6 VanDerWaalsContact C-N 3.27Å; E4-L6 PolarHBondContact O-N 3.38Å
7	K	55.7	Low	48.2	Very low	179 Å²	179	120 Å²	120	78%	0.778	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-85.2	-10.5	176.8	-77.6	-174.6	172.3	-173.9	0	114	E4 V5 Q9	E4-K7 WeakPolarHBondContact O-CB 3.3Å; E4-K7 PolarHBondContact O-N 3.06Å; V5-K7 PolarHBondContact O-N 2.77Å; V5-K7 VanDerWaalsContact O-N 3.1Å; K7-Q9 VanDerWaalsContact C-N 3.31Å
8	K	55.3	Low	48.5	Very low	186 Å²	186	121.6 Å²	121.6	81%	0.809	63%	0.625	S	S	*	*	G	3₁₀ helix	trans	-89.2	11.2	179.7	-68.7	-174.4	175.1	-178.8	0	113.9	V5 G10	V5-K8 PolarHBondContact O-N 3.19Å; V5-K8 VanDerWaalsContact O-N 3.09Å; K8-G10 PolarHBondContact O-N 3.03Å
9	Q	44.7	Very low	48.7	Very low	131 Å²	131	119.8 Å²	119.8	61%	0.612	62%	0.617	S	S	*	*			trans	-72.2	95.4	-177.4	-69.4	-175.1	-19.3	0	0	112	K7 W20	K7-Q9 VanDerWaalsContact C-N 3.31Å; Q9-W20 HydrophobicContact CG-CH2 4.05Å; Q9-W20 HydrophobicContact CG-CZ2 4.11Å
10	G	42.7	Very low	48.5	Very low	57 Å²	57	117.6 Å²	117.6	59%	0.588	60%	0.601	S	S	*	*			trans	-162.8	119.6	171.6	0	0	0	0	0	112	K8	K8-G10 PolarHBondContact O-N 3.03Å
11	S	43.1	Very low	49.1	Very low	90 Å²	90	114.6 Å²	114.6	63%	0.629	59%	0.59	S	S	*	*	S	Bend	trans	72.8	144.9	178.7	75.1	0	0	0	0	118.6	L16	S11-L16 WeakPolarHBondContact O-CD1 3.19Å
12	N	49.9	Very low	50.1	Low	120 Å²	120	110.6 Å²	110.6	64%	0.642	57%	0.572	S	S	*	*			trans	72.7	69.6	160.1	-51.4	-18.4	0	0	0	118.5	S14 L16	N12-S14 PolarHBondContact O-N 3.18Å; N12-L16 WeakPolarHBondContact O-CB 3.43Å; N12-L16 WeakPolarHBondContact O-CD1 3.47Å; N12-L16 VanDerWaalsContact O-CG 3.28Å; N12-L16 WeakPolarHBondContact O-CG 3.3Å; N12-L16 PolarHBondContact O-N 2.62Å
13	E	48.8	Very low	51.3	Low	178 Å²	178	107.7 Å²	107.7	83%	0.832	56%	0.561	S	S	*	*	H	α-helix	trans	-60.8	-33.8	-174.7	-68.2	177.5	108.9	0	0	117	L16 S17	E13-L16 WeakPolarHBondContact O-CB 3.36Å; E13-L16 PolarHBondContact O-N 3.39Å; E13-S17 PolarHBondContact O-N 3.1Å
14	S	51.3	Low	52.2	Low	103 Å²	103	101.3 Å²	101.3	72%	0.72	54%	0.543	S	S	*	.	H	α-helix	trans	-71.8	-52.3	-171.1	50.8	0	0	0	0	112.9	N12 L16 S17	N12-S14 PolarHBondContact O-N 3.18Å; S14-L16 PolarHBondContact O-N 2.71Å; S14-S17 PolarHBondContact O-N 3.48Å
15	T	49.2	Very low	52.7	Low	108 Å²	108	101 Å²	101	66%	0.663	54%	0.54	S	S	*	.	H	α-helix	trans	-66.5	-27.5	174.8	-21.3	0	0	0	0	112	S17	T15-S17 VanDerWaalsContact C-N 3.32Å; T15-S17 PolarHBondContact O-N 2.94Å
16	L	41.7	Very low	53.5	Low	56 Å²	56	104.8 Å²	104.8	29%	0.293	55%	0.554	S	S	.	*	H	α-helix	trans	-61.1	-37.2	176	-90.2	174.4	0	0	0	112.4	S11 N12 E13 S14 E18 N19 W20	S11-L16 WeakPolarHBondContact O-CD1 3.19Å; N12-L16 WeakPolarHBondContact O-CB 3.43Å; N12-L16 WeakPolarHBondContact O-CD1 3.47Å; N12-L16 VanDerWaalsContact O-CG 3.28Å; N12-L16 WeakPolarHBondContact O-CG 3.3Å; N12-L16 PolarHBondContact O-N 2.62Å; E13-L16 WeakPolarHBondContact O-CB 3.36Å; E13-L16 PolarHBondContact O-N 3.39Å; S14-L16 PolarHBondContact O-N 2.71Å; L16-E18 PolarHBondContact O-N 3.47Å; L16-N19 CarbonylContact O-C 3.6Å; L16-N19 PolarHBondContact O-N 3.19Å; L16-N19 VanDerWaalsContact O-N 3.1Å; L16-W20 VanDerWaalsContact C-CD1 3.49Å; L16-W20 PolarHBondContact O-N 3.31Å
17	S	47.7	Very low	54.1	Low	73 Å²	73	102.7 Å²	102.7	51%	0.51	54%	0.543	S	S	.	.	H	α-helix	trans	-58.1	-44.8	-173.5	-171.4	0	0	0	0	113.7	E13 S14 T15 S21	E13-S17 PolarHBondContact O-N 3.1Å; S14-S17 PolarHBondContact O-N 3.48Å; T15-S17 VanDerWaalsContact C-N 3.32Å; T15-S17 PolarHBondContact O-N 2.94Å; S17-S21 WeakPolarHBondContact O-CB 3.27Å; S17-S21 PolarHBondContact O-N 3.28Å; S17-S21 VanDerWaalsContact O-N 3.1Å; S17-S21 PolarHBondContact O-OG 2.93Å
18	E	52.2	Low	54.8	Low	148 Å²	148	99.8 Å²	99.8	69%	0.692	53%	0.531	S	S	*	.	H	α-helix	trans	-71.7	-35.7	176.1	-63.9	-169.2	145	0	0	111.7	L16 S21 N22	L16-E18 PolarHBondContact O-N 3.47Å; E18-S21 PolarHBondContact O-N 2.74Å; E18-N22 VanDerWaalsContact O-CG 3.32Å; E18-N22 PolarHBondContact O-N 3.19Å; E18-N22 PolarHBondContact O-ND2 3.28Å
19	N	53	Low	55.6	Low	88 Å²	88	96.2 Å²	96.2	47%	0.471	52%	0.52	S	S	.	.	H	α-helix	trans	-64.9	-53.1	176.4	-145.1	99.7	0	0	0	111.1	L16 S21 N22 D23	L16-N19 CarbonylContact O-C 3.6Å; L16-N19 PolarHBondContact O-N 3.19Å; L16-N19 VanDerWaalsContact O-N 3.1Å; N19-S21 PolarHBondContact O-N 2.98Å; N19-N22 CarbonylContact O-C 3.53Å; N19-N22 WeakPolarHBondContact O-CA 3.48Å; N19-N22 PolarHBondContact O-N 2.86Å; N19-D23 VanDerWaalsContact C-OD2 3.27Å; N19-D23 PolarHBondContact ND2-OD1 2.91Å; N19-D23 PolarHBondContact ND2-OD2 3.04Å; N19-D23 WeakPolarHBondContact O-CB 3.2Å; N19-D23 PolarHBondContact O-N 2.95Å; N19-D23 VanDerWaalsContact O-OD2 3.07Å
20	W	44.5	Very low	57.1	Low	76 Å²	76	92.7 Å²	92.7	29%	0.288	51%	0.508	S	S	.	.	H	α-helix	trans	-51.3	-42.1	172.5	-70.9	117.9	0	0	0	111.7	V5 Q9 L16 N22 L24	V5-W20 HydrophobicContact CG1-CH2 4.49Å; V5-W20 HydrophobicContact CG1-CZ3 3.82Å; Q9-W20 HydrophobicContact CG-CH2 4.05Å; Q9-W20 HydrophobicContact CG-CZ2 4.11Å; L16-W20 VanDerWaalsContact C-CD1 3.49Å; L16-W20 PolarHBondContact O-N 3.31Å; W20-N22 VanDerWaalsContact C-N 3.26Å; W20-N22 PolarHBondContact O-N 3.28Å; W20-L24 VanDerWaalsContact O-CB 3.24Å; W20-L24 WeakPolarHBondContact O-CB 3.35Å; W20-L24 WeakPolarHBondContact O-CD1 3.19Å; W20-L24 WeakPolarHBondContact O-CG 3.35Å; W20-L24 PolarHBondContact O-N 2.99Å
21	S	61	Low	58.7	Low	54 Å²	54	95.3 Å²	95.3	38%	0.378	51%	0.505	S	S	.	.	H	α-helix	trans	-67.6	-24.5	179.9	-63.3	0	0	0	0	113.3	S17 E18 N19 K25	S17-S21 WeakPolarHBondContact O-CB 3.27Å; S17-S21 PolarHBondContact O-N 3.28Å; S17-S21 VanDerWaalsContact O-N 3.1Å; S17-S21 PolarHBondContact O-OG 2.93Å; E18-S21 PolarHBondContact O-N 2.74Å; N19-S21 PolarHBondContact O-N 2.98Å; S21-K25 WeakPolarHBondContact O-CD 3.41Å; S21-K25 WeakPolarHBondContact O-CE 3.45Å; S21-K25 WeakPolarHBondContact O-CG 3.46Å; S21-K25 PolarHBondContact O-NZ 2.69Å
22	N	64.1	Low	60.3	Low	86 Å²	86	93.7 Å²	93.7	46%	0.46	49%	0.493	S	S	.	.	H	α-helix	trans	-92	-43.2	175.5	-67.1	-23.9	0	0	0	111.1	E18 N19 W20 L24 K25 E26	E18-N22 VanDerWaalsContact O-CG 3.32Å; E18-N22 PolarHBondContact O-N 3.19Å; E18-N22 PolarHBondContact O-ND2 3.28Å; N19-N22 CarbonylContact O-C 3.53Å; N19-N22 WeakPolarHBondContact O-CA 3.48Å; N19-N22 PolarHBondContact O-N 2.86Å; W20-N22 VanDerWaalsContact C-N 3.26Å; W20-N22 PolarHBondContact O-N 3.28Å; N22-L24 VanDerWaalsContact C-N 3.28Å; N22-L24 PolarHBondContact O-N 2.98Å; N22-K25 WeakPolarHBondContact O-CB 3.41Å; N22-K25 PolarHBondContact O-N 3.42Å; N22-K25 PolarHBondContact OD1-NZ 3.03Å; N22-E26 WeakPolarHBondContact O-CB 3.39Å; N22-E26 PolarHBondContact O-N 3.45Å
23	D	66	Low	62	Low	48 Å²	48	90.1 Å²	90.1	26%	0.257	47%	0.473	S	S	.	.	H	α-helix	trans	-53.7	-43.4	172.4	-60.1	-36.8	0	0	0	111.3	N19 E26 I27	N19-D23 VanDerWaalsContact C-OD2 3.27Å; N19-D23 PolarHBondContact ND2-OD1 2.91Å; N19-D23 PolarHBondContact ND2-OD2 3.04Å; N19-D23 WeakPolarHBondContact O-CB 3.2Å; N19-D23 PolarHBondContact O-N 2.95Å; N19-D23 VanDerWaalsContact O-OD2 3.07Å; D23-E26 PolarHBondContact O-N 3.5Å; D23-I27 WeakPolarHBondContact O-CB 3.27Å; D23-I27 WeakPolarHBondContact O-CD1 3.31Å; D23-I27 VanDerWaalsContact O-CG1 3.23Å; D23-I27 WeakPolarHBondContact O-CG1 3.27Å; D23-I27 PolarHBondContact O-N 3.01Å
24	L	63.7	Low	63.7	Low	84 Å²	84	86.9 Å²	86.9	44%	0.44	46%	0.458	S	S	.	.	H	α-helix	trans	-70.6	-31.5	177.4	-73.9	169.3	0	0	0	113.3	F2 W20 N22 K28	F2-L24 HydrophobicContact CZ-CD2 4.09Å; W20-L24 VanDerWaalsContact O-CB 3.24Å; W20-L24 WeakPolarHBondContact O-CB 3.35Å; W20-L24 WeakPolarHBondContact O-CD1 3.19Å; W20-L24 WeakPolarHBondContact O-CG 3.35Å; W20-L24 PolarHBondContact O-N 2.99Å; N22-L24 VanDerWaalsContact C-N 3.28Å; N22-L24 PolarHBondContact O-N 2.98Å; L24-K28 WeakPolarHBondContact O-CB 3.39Å; L24-K28 WeakPolarHBondContact O-CG 3.33Å; L24-K28 PolarHBondContact O-N 3.21Å; L24-K28 VanDerWaalsContact O-N 3.08Å
25	K	65.4	Low	65.3	Low	116 Å²	116	87.1 Å²	87.1	50%	0.504	45%	0.447	S	S	.	.	H	α-helix	trans	-70.3	-43	171.6	-70.4	164.6	-159.8	154.4	0	110.3	S21 N22 K28 N29	S21-K25 WeakPolarHBondContact O-CD 3.41Å; S21-K25 WeakPolarHBondContact O-CE 3.45Å; S21-K25 WeakPolarHBondContact O-CG 3.46Å; S21-K25 PolarHBondContact O-NZ 2.69Å; N22-K25 WeakPolarHBondContact O-CB 3.41Å; N22-K25 PolarHBondContact O-N 3.42Å; N22-K25 PolarHBondContact OD1-NZ 3.03Å; K25-K28 PolarHBondContact O-N 3.43Å; K25-N29 VanDerWaalsContact O-CB 3.31Å; K25-N29 WeakPolarHBondContact O-CB 3.47Å; K25-N29 PolarHBondContact O-N 3.45Å; K25-N29 PolarHBondContact O-ND2 3.48Å; K25-N29 PolarHBondContact O-OD1 3.39Å
26	E	70.4	Confident	67.1	Low	129 Å²	129	82 Å²	82	60%	0.603	42%	0.416	S	S	*	.	H	α-helix	trans	-62	-49.3	178.8	-169.3	169.9	-179.2	0	0	110.5	N22 D23 K28 N29 T30	N22-E26 WeakPolarHBondContact O-CB 3.39Å; N22-E26 PolarHBondContact O-N 3.45Å; D23-E26 PolarHBondContact O-N 3.5Å; E26-K28 PolarHBondContact O-N 2.82Å; E26-N29 CarbonylContact O-C 3.57Å; E26-N29 WeakPolarHBondContact O-CB 3.25Å; E26-N29 PolarHBondContact O-N 3.22Å; E26-N29 VanDerWaalsContact O-N 3.12Å; E26-T30 PolarHBondContact O-N 3.21Å; E26-T30 PolarHBondContact O-OG1 3.46Å
27	I	65.9	Low	69.4	Low	46 Å²	46	84.5 Å²	84.5	24%	0.236	42%	0.422	C	S	.	.	H	α-helix	trans	-57.7	-48.6	174.1	-67.7	163.2	0	0	0	111.5	F2 D23 N29 T30 E31	F2-I27 HydrophobicContact CD2-CG2 4.23Å; F2-I27 HydrophobicContact CE2-CG2 4.13Å; D23-I27 WeakPolarHBondContact O-CB 3.27Å; D23-I27 WeakPolarHBondContact O-CD1 3.31Å; D23-I27 VanDerWaalsContact O-CG1 3.23Å; D23-I27 WeakPolarHBondContact O-CG1 3.27Å; D23-I27 PolarHBondContact O-N 3.01Å; I27-N29 VanDerWaalsContact C-N 3.28Å; I27-N29 PolarHBondContact O-N 2.9Å; I27-T30 PolarHBondContact O-N 3.42Å; I27-E31 HydrophobicContact CG2-CG 4.44Å; I27-E31 WeakPolarHBondContact O-CG 3.47Å; I27-E31 PolarHBondContact O-N 2.92Å
28	K	69.9	Low	71.2	Confident	119 Å²	119	84.1 Å²	84.1	52%	0.517	42%	0.419	S	S	.	.	H	α-helix	trans	-58.9	-39.2	175.9	-85.2	-167.6	169.3	-164.2	0	112.2	L24 K25 E26 S32 D111	L24-K28 WeakPolarHBondContact O-CB 3.39Å; L24-K28 WeakPolarHBondContact O-CG 3.33Å; L24-K28 PolarHBondContact O-N 3.21Å; L24-K28 VanDerWaalsContact O-N 3.08Å; K25-K28 PolarHBondContact O-N 3.43Å; E26-K28 PolarHBondContact O-N 2.82Å; K28-S32 VanDerWaalsContact O-CB 3.28Å; K28-S32 WeakPolarHBondContact O-CB 3.4Å; K28-S32 PolarHBondContact O-N 3.34Å; K28-D111 IonicContact NZ-OD2 2.88Å; K28-D111 PolarHBondContact NZ-OD2 2.9Å
29	N	71.9	Confident	72.9	Confident	111 Å²	111	79 Å²	79	59%	0.594	40%	0.395	S	S	*	.	H	α-helix	trans	-68.6	-42.6	177.8	-69.7	-12.9	0	0	0	111.2	K25 E26 I27 S32 E33	K25-N29 VanDerWaalsContact O-CB 3.31Å; K25-N29 WeakPolarHBondContact O-CB 3.47Å; K25-N29 PolarHBondContact O-N 3.45Å; K25-N29 PolarHBondContact O-ND2 3.48Å; K25-N29 PolarHBondContact O-OD1 3.39Å; E26-N29 CarbonylContact O-C 3.57Å; E26-N29 WeakPolarHBondContact O-CB 3.25Å; E26-N29 PolarHBondContact O-N 3.22Å; E26-N29 VanDerWaalsContact O-N 3.12Å; I27-N29 VanDerWaalsContact C-N 3.28Å; I27-N29 PolarHBondContact O-N 2.9Å; N29-S32 PolarHBondContact O-N 3.24Å; N29-E33 WeakPolarHBondContact O-CB 3.49Å; N29-E33 PolarHBondContact O-N 3.46Å
30	T	76.8	Confident	74.6	Confident	57 Å²	57	75.1 Å²	75.1	35%	0.35	37%	0.374	S	S	.	.	H	α-helix	trans	-63	-47.6	175.6	-52.3	0	0	0	0	111.6	E26 I27 S32 E33 E34	E26-T30 PolarHBondContact O-N 3.21Å; E26-T30 PolarHBondContact O-OG1 3.46Å; I27-T30 PolarHBondContact O-N 3.42Å; T30-S32 VanDerWaalsContact C-N 3.3Å; T30-S32 PolarHBondContact O-N 3.36Å; T30-E33 PolarHBondContact O-N 3.38Å; T30-E34 HydrophobicContact CG2-CG 4.48Å; T30-E34 WeakPolarHBondContact O-CB 3.13Å; T30-E34 WeakPolarHBondContact O-CG 3.5Å; T30-E34 PolarHBondContact O-N 3.25Å
31	E	76.3	Confident	76.7	Confident	112 Å²	112	75.7 Å²	75.7	52%	0.523	38%	0.38	S	S	.	.	H	α-helix	trans	-61.3	-38.9	177.2	-71.3	-179.6	168.5	0	0	111.6	I27 Q35	I27-E31 HydrophobicContact CG2-CG 4.44Å; I27-E31 WeakPolarHBondContact O-CG 3.47Å; I27-E31 PolarHBondContact O-N 2.92Å; E31-Q35 WeakPolarHBondContact O-CB 3.22Å; E31-Q35 PolarHBondContact O-N 3.19Å
32	S	77.5	Confident	78	Confident	56 Å²	56	77.4 Å²	77.4	39%	0.392	39%	0.385	S	S	.	.	H	α-helix	trans	-64.8	-43.8	173.7	-171.3	0	0	0	0	112.5	K28 N29 T30 Q35 A36 Y114	K28-S32 VanDerWaalsContact O-CB 3.28Å; K28-S32 WeakPolarHBondContact O-CB 3.4Å; K28-S32 PolarHBondContact O-N 3.34Å; N29-S32 PolarHBondContact O-N 3.24Å; T30-S32 VanDerWaalsContact C-N 3.3Å; T30-S32 PolarHBondContact O-N 3.36Å; S32-Q35 WeakPolarHBondContact O-CB 3.49Å; S32-Q35 PolarHBondContact O-N 3.13Å; S32-A36 PolarHBondContact O-N 2.9Å; S32-Y114 PolarHBondContact O-OH 3.32Å
33	E	84.2	Confident	79.1	Confident	45 Å²	45	73.3 Å²	73.3	21%	0.21	36%	0.363	C	S	.	.	H	α-helix	trans	-68.5	-38.1	178.4	-161.2	-170.6	-159	0	0	111.9	N29 T30 A36 R37 P67 V68 L69	N29-E33 WeakPolarHBondContact O-CB 3.49Å; N29-E33 PolarHBondContact O-N 3.46Å; T30-E33 PolarHBondContact O-N 3.38Å; E33-A36 WeakPolarHBondContact O-CB 3.43Å; E33-A36 PolarHBondContact O-N 3.38Å; E33-A36 VanDerWaalsContact O-N 3.16Å; E33-R37 WeakPolarHBondContact O-CG 3.28Å; E33-R37 PolarHBondContact O-N 3.1Å; E33-R37 IonicContact OE1-CZ 3.66Å; E33-R37 IonicContact OE1-NH1 2.81Å; E33-R37 IonicContact OE1-NH2 2.77Å; E33-R37 PolarHBondContact OE1-NH2 3.38Å; E33-R37 IonicContact OE2-CZ 3.87Å; E33-R37 IonicContact OE2-NH1 3.87Å; E33-R37 PolarHBondContact OE2-NH1 2.94Å; E33-R37 IonicContact OE2-NH2 3.68Å; E33-R37 PolarHBondContact OE2-NH2 3.02Å; E33-P67 WeakPolarHBondContact CG-O 3.41Å; E33-V68 HydrophobicContact CG-CB 4.21Å; E33-V68 HydrophobicContact CG-CG1 4.13Å; E33-V68 HydrophobicContact CG-CG2 3.97Å; E33-L69 PolarHBondContact OE1-N 2.92Å
34	E	85.6	Confident	80.3	Confident	109 Å²	109	73.7 Å²	73.7	51%	0.509	36%	0.362	S	S	.	.	H	α-helix	trans	-63.1	-41.4	171.5	-75.3	-172.8	-179.2	0	0	111.6	T30 A36 R37 S38	T30-E34 HydrophobicContact CG2-CG 4.48Å; T30-E34 WeakPolarHBondContact O-CB 3.13Å; T30-E34 WeakPolarHBondContact O-CG 3.5Å; T30-E34 PolarHBondContact O-N 3.25Å; E34-A36 VanDerWaalsContact C-N 3.26Å; E34-A36 PolarHBondContact O-N 3.19Å; E34-R37 PolarHBondContact O-N 3.29Å; E34-S38 WeakPolarHBondContact O-CB 3.49Å; E34-S38 PolarHBondContact O-N 2.97Å
35	Q	83.9	Confident	81.4	Confident	108 Å²	108	74 Å²	74	51%	0.505	36%	0.358	S	S	.	.	H	α-helix	trans	-63	-33	172.3	-170.2	-178.2	3.5	0	0	111.8	E31 S32 Q39 Y114	E31-Q35 WeakPolarHBondContact O-CB 3.22Å; E31-Q35 PolarHBondContact O-N 3.19Å; S32-Q35 WeakPolarHBondContact O-CB 3.49Å; S32-Q35 PolarHBondContact O-N 3.13Å; Q35-Q39 WeakPolarHBondContact O-CG 3.41Å; Q35-Q39 PolarHBondContact O-N 3.36Å; Q35-Q39 PolarHBondContact O-NE2 3.17Å; Q35-Y114 VanDerWaalsContact C-OH 3.3Å; Q35-Y114 HydrophobicContact CB-CE2 4.45Å; Q35-Y114 HydrophobicContact CG-CE2 4.16Å
36	A	87.4	Confident	82.5	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-73.4	-44.6	179.1	0	0	0	0	0	110.9	S32 E33 E34 S38 Q39 L40 P67 V68 Y114 F132	S32-A36 PolarHBondContact O-N 2.9Å; E33-A36 WeakPolarHBondContact O-CB 3.43Å; E33-A36 PolarHBondContact O-N 3.38Å; E33-A36 VanDerWaalsContact O-N 3.16Å; E34-A36 VanDerWaalsContact C-N 3.26Å; E34-A36 PolarHBondContact O-N 3.19Å; A36-S38 VanDerWaalsContact C-N 3.33Å; A36-S38 PolarHBondContact O-N 3.35Å; A36-Q39 PolarHBondContact O-N 2.9Å; A36-L40 WeakPolarHBondContact O-CB 3.22Å; A36-L40 PolarHBondContact O-N 3.47Å; A36-P67 HydrophobicContact CB-CB 3.91Å; A36-P67 WeakPolarHBondContact CB-O 3.33Å; A36-V68 HydrophobicContact CB-CG2 3.45Å; A36-V68 VanDerWaalsContact CB-CG2 3.45Å; A36-Y114 WeakPolarHBondContact CA-OH 3.38Å; A36-Y114 HydrophobicContact CB-CE1 4.42Å; A36-Y114 VanDerWaalsContact CB-OH 3.24Å; A36-Y114 WeakPolarHBondContact CB-OH 3.43Å; A36-Y114 PolarHBondContact N-OH 2.64Å; A36-F132 HydrophobicContact CB-CZ 3.94Å
37	R	89.2	Confident	83.3	Confident	110 Å²	110	70.7 Å²	70.7	42%	0.415	35%	0.353	S	S	.	.	H	α-helix	trans	-56.5	-46.1	170.4	-71.8	178.9	178.8	109.5	8.1	111.2	E33 E34 L40 E41 V68	E33-R37 WeakPolarHBondContact O-CG 3.28Å; E33-R37 PolarHBondContact O-N 3.1Å; E33-R37 IonicContact OE1-CZ 3.66Å; E33-R37 IonicContact OE1-NH1 2.81Å; E33-R37 IonicContact OE1-NH2 2.77Å; E33-R37 PolarHBondContact OE1-NH2 3.38Å; E33-R37 IonicContact OE2-CZ 3.87Å; E33-R37 IonicContact OE2-NH1 3.87Å; E33-R37 PolarHBondContact OE2-NH1 2.94Å; E33-R37 IonicContact OE2-NH2 3.68Å; E33-R37 PolarHBondContact OE2-NH2 3.02Å; E34-R37 PolarHBondContact O-N 3.29Å; R37-L40 PolarHBondContact O-N 2.87Å; R37-E41 PolarHBondContact O-N 3.47Å; R37-V68 HydrophobicContact CG-CB 4.43Å; R37-V68 HydrophobicContact CG-CG1 3.78Å; R37-V68 HydrophobicContact CG-CG2 3.71Å
38	S	87	Confident	84.4	Confident	64 Å²	64	69.4 Å²	69.4	45%	0.448	35%	0.347	S	S	.	.	H	α-helix	trans	-61.8	-43.7	178.2	-174.9	0	0	0	0	112.4	E34 A36 L40 E41 N42	E34-S38 WeakPolarHBondContact O-CB 3.49Å; E34-S38 PolarHBondContact O-N 2.97Å; A36-S38 VanDerWaalsContact C-N 3.33Å; A36-S38 PolarHBondContact O-N 3.35Å; S38-L40 VanDerWaalsContact C-N 3.35Å; S38-L40 PolarHBondContact O-N 3.07Å; S38-E41 PolarHBondContact O-N 2.93Å; S38-N42 WeakPolarHBondContact O-CB 3.35Å; S38-N42 PolarHBondContact O-N 3.23Å; S38-N42 PolarHBondContact O-ND2 2.88Å; S38-N42 PolarHBondContact OG-ND2 3.28Å
39	Q	86.6	Confident	85.2	Confident	42 Å²	42	66.8 Å²	66.8	20%	0.196	35%	0.347	C	S	.	.	H	α-helix	trans	-62.3	-41.3	174.3	-77.3	175.6	87.4	0	0	112.2	Q35 A36 N42 A43 Y114 I120	Q35-Q39 WeakPolarHBondContact O-CG 3.41Å; Q35-Q39 PolarHBondContact O-N 3.36Å; Q35-Q39 PolarHBondContact O-NE2 3.17Å; A36-Q39 PolarHBondContact O-N 2.9Å; Q39-N42 PolarHBondContact O-N 3.41Å; Q39-A43 WeakPolarHBondContact O-CB 3.21Å; Q39-A43 PolarHBondContact O-N 2.89Å; Q39-Y114 PolarHBondContact NE2-OH 3.17Å; Q39-I120 HydrophobicContact CB-CD1 4.01Å
40	L	88.7	Confident	86.2	Confident	5 Å²	5	64.1 Å²	64.1	3%	0.026	33%	0.331	C	S	.	.	H	α-helix	trans	-64	-40.4	178.7	-172.3	60.1	0	0	0	112.8	A36 R37 S38 A43 R71 I120 L130 F132	A36-L40 WeakPolarHBondContact O-CB 3.22Å; A36-L40 PolarHBondContact O-N 3.47Å; R37-L40 PolarHBondContact O-N 2.87Å; S38-L40 VanDerWaalsContact C-N 3.35Å; S38-L40 PolarHBondContact O-N 3.07Å; L40-A43 PolarHBondContact O-N 2.84Å; L40-R71 HydrophobicContact CD2-CB 4.09Å; L40-R71 HydrophobicContact CD2-CG 4.23Å; L40-I120 HydrophobicContact CD1-CG2 3.59Å; L40-L130 HydrophobicContact CD1-CB 3.73Å; L40-F132 HydrophobicContact CB-CZ 4.42Å; L40-F132 HydrophobicContact CD2-CE2 4.14Å
41	E	89.2	Confident	86.9	Confident	89 Å²	89	61.6 Å²	61.6	42%	0.416	32%	0.315	S	S	.	.	H	α-helix	trans	-66	-44.2	173.3	-71.7	-55.9	124.2	0	0	112.1	R37 S38 A43 K44 Y45	R37-E41 PolarHBondContact O-N 3.47Å; S38-E41 PolarHBondContact O-N 2.93Å; E41-A43 VanDerWaalsContact C-N 3.28Å; E41-A43 PolarHBondContact O-N 2.86Å; E41-K44 WeakPolarHBondContact O-CB 3.28Å; E41-K44 WeakPolarHBondContact O-CG 3.46Å; E41-K44 PolarHBondContact O-N 3.44Å; E41-K44 VanDerWaalsContact OE1-CE 3.29Å; E41-K44 WeakPolarHBondContact OE1-CE 3.49Å; E41-K44 IonicContact OE1-NZ 3.87Å; E41-K44 PolarHBondContact OE1-NZ 2.78Å; E41-K44 WeakPolarHBondContact OE2-CE 3.5Å; E41-K44 IonicContact OE2-NZ 2.69Å; E41-K44 PolarHBondContact OE2-NZ 3.06Å; E41-Y45 WeakPolarHBondContact O-CE2 3.43Å
42	N	87.6	Confident	87.8	Confident	90 Å²	90	56.3 Å²	56.3	48%	0.481	29%	0.291	S	S	.	.	H	α-helix	trans	-64.8	-31.2	177.7	-76.3	-59.1	0	0	0	112.7	S38 Q39 K44 Y45	S38-N42 WeakPolarHBondContact O-CB 3.35Å; S38-N42 PolarHBondContact O-N 3.23Å; S38-N42 PolarHBondContact O-ND2 2.88Å; S38-N42 PolarHBondContact OG-ND2 3.28Å; Q39-N42 PolarHBondContact O-N 3.41Å; N42-K44 PolarHBondContact O-N 3.19Å; N42-Y45 PolarHBondContact O-N 2.82Å
43	A	88.6	Confident	88.7	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-67	-18.4	177.9	0	0	0	0	0	114	Q39 L40 E41 Y45 K46 K84 I120 L130	Q39-A43 WeakPolarHBondContact O-CB 3.21Å; Q39-A43 PolarHBondContact O-N 2.89Å; L40-A43 PolarHBondContact O-N 2.84Å; E41-A43 VanDerWaalsContact C-N 3.28Å; E41-A43 PolarHBondContact O-N 2.86Å; A43-Y45 PolarHBondContact O-N 2.8Å; A43-K46 PolarHBondContact O-N 2.93Å; A43-K84 HydrophobicContact CB-CB 4.25Å; A43-I120 HydrophobicContact CB-CB 4.46Å; A43-I120 HydrophobicContact CB-CG2 3.55Å; A43-L130 VanDerWaalsContact C-CD1 3.47Å; A43-L130 HydrophobicContact CB-CD1 3.93Å
44	K	89.5	Confident	89.3	Confident	55 Å²	55	53.5 Å²	53.5	24%	0.239	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-31.4	176	-66.3	178.4	-178	174.7	0	112.8	E41 N42 L130	E41-K44 WeakPolarHBondContact O-CB 3.28Å; E41-K44 WeakPolarHBondContact O-CG 3.46Å; E41-K44 PolarHBondContact O-N 3.44Å; E41-K44 VanDerWaalsContact OE1-CE 3.29Å; E41-K44 WeakPolarHBondContact OE1-CE 3.49Å; E41-K44 IonicContact OE1-NZ 3.87Å; E41-K44 PolarHBondContact OE1-NZ 2.78Å; E41-K44 WeakPolarHBondContact OE2-CE 3.5Å; E41-K44 IonicContact OE2-NZ 2.69Å; E41-K44 PolarHBondContact OE2-NZ 3.06Å; N42-K44 PolarHBondContact O-N 3.19Å; K44-L130 HydrophobicContact CB-CD1 4.35Å; K44-L130 HydrophobicContact CG-CD1 3.85Å
45	Y	87.4	Confident	89.6	Confident	92 Å²	92	50.7 Å²	50.7	36%	0.361	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	-3	-176.5	-44.5	-69.7	0	0	0	113.7	E41 N42 A43 V481 P484	E41-Y45 WeakPolarHBondContact O-CE2 3.43Å; N42-Y45 PolarHBondContact O-N 2.82Å; A43-Y45 PolarHBondContact O-N 2.8Å; Y45-V481 HydrophobicContact CD1-CG1 3.71Å; Y45-V481 HydrophobicContact CE1-CG1 3.69Å; Y45-P484 HydrophobicContact CD1-CB 4.32Å; Y45-P484 HydrophobicContact CD1-CG 3.61Å; Y45-P484 HydrophobicContact CE1-CB 3.99Å; Y45-P484 HydrophobicContact CE1-CG 3.67Å; Y45-P484 HydrophobicContact CG-CG 4.16Å
46	K	88.1	Confident	90.1	Very high	70 Å²	70	46.8 Å²	46.8	30%	0.304	24%	0.241	S	C	.	.	S	Bend	trans	-78.2	149.6	176.1	-65.9	-177.7	-176.8	175.4	0	110.3	A43 K84 E85	A43-K46 PolarHBondContact O-N 2.93Å; K46-K84 WeakPolarHBondContact O-CD 3.23Å; K46-K84 WeakPolarHBondContact O-CE 3.3Å; K46-K84 PolarHBondContact O-NZ 3.47Å; K46-E85 IonicContact NZ-OE1 3.46Å; K46-E85 PolarHBondContact NZ-OE1 3.03Å; K46-E85 IonicContact NZ-OE2 2.64Å; K46-E85 PolarHBondContact NZ-OE2 3.1Å
47	P	87	Confident	90.5	Very high	105 Å²	105	47.4 Å²	47.4	68%	0.682	25%	0.246	S	C	*	.	P	Polyproline II helix	trans	-63.1	168.5	170.1	29.1	-35.6	0	0	0	111	A49 K84	P47-A49 PolarHBondContact O-N 2.68Å; P47-K84 WeakPolarHBondContact O-CD 3.18Å
48	V	89.4	Confident	90.7	Very high	19 Å²	19	42.3 Å²	42.3	12%	0.115	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-72.7	119.5	164.9	-178.8	0	0	0	0	107.4	F50 H82 M381	V48-F50 WeakPolarHBondContact CG1-O 3.12Å; V48-H82 HydrophobicContact CG1-CB 4.04Å; V48-H82 HydrophobicContact CG2-CB 4.11Å; V48-M381 HydrophobicContact CB-SD 4.19Å; V48-M381 HydrophobicContact CG2-CE 4.3Å; V48-M381 HydrophobicContact CG2-SD 3.88Å
49	A	88	Confident	91.1	Very high	64 Å²	64	41.2 Å²	41.2	53%	0.529	22%	0.216	S	C	.	.			trans	-76.5	-45	-178.8	0	0	0	0	0	111.2	P47 I83	P47-A49 PolarHBondContact O-N 2.68Å; A49-I83 PolarHBondContact N-O 2.8Å
50	F	91.4	Very high	91.3	Very high	55 Å²	55	39.5 Å²	39.5	24%	0.241	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	175.1	169.4	62.5	-87.2	0	0	0	109.3	V48 V52 I83 V86 W119	V48-F50 WeakPolarHBondContact CG1-O 3.12Å; F50-V52 HydrophobicContact CD2-CG1 4.04Å; F50-V52 HydrophobicContact CE2-CG1 3.88Å; F50-I83 HydrophobicContact CD1-CB 4.42Å; F50-I83 HydrophobicContact CD2-CB 4.33Å; F50-I83 HydrophobicContact CD2-CG1 4.13Å; F50-I83 HydrophobicContact CE1-CB 4.13Å; F50-I83 HydrophobicContact CE1-CG2 3.92Å; F50-I83 HydrophobicContact CE2-CB 4.03Å; F50-I83 HydrophobicContact CE2-CG1 3.62Å; F50-I83 HydrophobicContact CE2-CG2 4.42Å; F50-I83 HydrophobicContact CZ-CB 3.92Å; F50-I83 HydrophobicContact CZ-CG1 3.88Å; F50-I83 HydrophobicContact CZ-CG2 3.82Å; F50-I83 PolarHBondContact O-N 2.65Å; F50-V86 HydrophobicContact CE1-CG2 3.55Å; F50-V86 HydrophobicContact CZ-CG2 3.73Å; F50-W119 HydrophobicContact CE2-CE3 4.48Å; F50-W119 HydrophobicContact CE2-CH2 4.07Å; F50-W119 AromaticContact CE2-CZ3 3.94Å; F50-W119 HydrophobicContact CE2-CZ3 3.94Å; F50-W119 HydrophobicContact CZ-CE3 4.3Å; F50-W119 HydrophobicContact CZ-CH2 4.05Å; F50-W119 HydrophobicContact CZ-CZ2 4.29Å; F50-W119 HydrophobicContact CZ-CZ3 4.08Å
51	S	92.9	Very high	91.4	Very high	4 Å²	4	43.2 Å²	43.2	3%	0.028	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	154.4	179.1	-56.6	0	0	0	0	111.7	L81 H82 V229 S231	S51-L81 VanDerWaalsContact CA-O 3.29Å; S51-L81 WeakPolarHBondContact CA-O 3.34Å; S51-H82 PolarHBondContact OG-CD2 3.45Å; S51-V229 PolarHBondContact O-N 2.72Å; S51-S231 VanDerWaalsContact OG-CA 3.24Å; S51-S231 WeakPolarHBondContact OG-CA 3.48Å; S51-S231 VanDerWaalsContact OG-CB 3.32Å; S51-S231 WeakPolarHBondContact OG-CB 3.4Å; S51-S231 PolarHBondContact OG-OG 2.77Å
52	V	94.7	Very high	91.3	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.006	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	152	180	-65.4	0	0	0	0	112.3	F50 F80 L81 W119 Y226 D227 V228	F50-V52 HydrophobicContact CD2-CG1 4.04Å; F50-V52 HydrophobicContact CE2-CG1 3.88Å; V52-F80 CarbonylContact O-C 3.58Å; V52-F80 WeakPolarHBondContact O-CA 3.41Å; V52-L81 HydrophobicContact CG2-CB 3.76Å; V52-L81 HydrophobicContact CG2-CD1 4.08Å; V52-L81 HydrophobicContact CG2-CG 4.19Å; V52-L81 PolarHBondContact N-O 2.87Å; V52-L81 PolarHBondContact O-N 3.21Å; V52-W119 HydrophobicContact CG1-CZ3 4.4Å; V52-Y226 HydrophobicContact CB-CD1 4.49Å; V52-Y226 HydrophobicContact CB-CG 4.26Å; V52-Y226 HydrophobicContact CG1-CG 4.44Å; V52-Y226 HydrophobicContact CG2-CD1 4.03Å; V52-Y226 HydrophobicContact CG2-CG 4.07Å; V52-D227 CarbonylContact C-O 3.53Å; V52-D227 WeakPolarHBondContact CA-O 3.31Å; V52-D227 VanDerWaalsContact CB-O 3.28Å; V52-D227 WeakPolarHBondContact CB-O 3.34Å; V52-V228 HydrophobicContact CG1-CG2 4.36Å
53	R	96.1	Very high	91.2	Very high	42 Å²	42	37.7 Å²	37.7	16%	0.158	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	137.3	161.6	179.7	-179.1	61.9	-160.8	-8.8	109.3	D79 F80 Y226 D227 V229	R53-D79 CarbonylContact C-O 3.6Å; R53-D79 VanDerWaalsContact CA-O 3.29Å; R53-D79 WeakPolarHBondContact CA-O 3.39Å; R53-F80 HydrophobicContact CB-CD1 4.25Å; R53-F80 HydrophobicContact CB-CE1 4.08Å; R53-F80 HydrophobicContact CG-CE1 4.34Å; R53-F80 HydrophobicContact CG-CZ 4.35Å; R53-Y226 CarbonylContact O-C 3.58Å; R53-Y226 WeakPolarHBondContact O-CA 3.33Å; R53-D227 HydrophobicContact CB-CB 4.49Å; R53-D227 IonicContact CZ-OD2 2.82Å; R53-D227 PolarHBondContact N-O 3.21Å; R53-D227 IonicContact NE-OD2 3.32Å; R53-D227 PolarHBondContact NE-OD2 3.02Å; R53-D227 IonicContact NH2-OD2 2.87Å; R53-D227 PolarHBondContact NH2-OD2 3.04Å; R53-D227 PolarHBondContact O-N 3.02Å; R53-V229 HydrophobicContact CB-CG1 3.77Å
54	T	96.2	Very high	91.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	137.1	-178.7	68.6	0	0	0	0	111.9	V56 F75 A76 K78 D79 L81 Y226	T54-V56 WeakPolarHBondContact CB-O 3.36Å; T54-F75 HydrophobicContact CG2-CB 4.43Å; T54-F75 HydrophobicContact CG2-CD2 3.48Å; T54-F75 VanDerWaalsContact CG2-CD2 3.48Å; T54-F75 HydrophobicContact CG2-CE2 3.85Å; T54-F75 HydrophobicContact CG2-CG 3.98Å; T54-A76 PolarHBondContact OG1-O 3.2Å; T54-K78 WeakPolarHBondContact O-CA 3.47Å; T54-K78 PolarHBondContact O-N 3.42Å; T54-K78 PolarHBondContact OG1-N 3.37Å; T54-K78 VanDerWaalsContact OG1-N 3.08Å; T54-D79 HydrophobicContact CG2-CB 4.14Å; T54-D79 PolarHBondContact N-O 3.39Å; T54-D79 PolarHBondContact OG1-N 3.26Å; T54-D79 PolarHBondContact OG1-O 3.17Å; T54-L81 HydrophobicContact CG2-CD1 3.88Å; T54-L81 HydrophobicContact CG2-CG 4.03Å; T54-Y226 HydrophobicContact CG2-CD1 4.17Å; T54-Y226 HydrophobicContact CG2-CE1 4Å
55	N	93.5	Very high	90.9	Very high	49 Å²	49	46 Å²	46	26%	0.262	26%	0.261	S	S	.	.	S	Bend	trans	-106	-0.9	170	-66.4	-47.5	0	0	0	112.1	Q224 A225 D227	N55-Q224 WeakPolarHBondContact CB-O 3.47Å; N55-Q224 PolarHBondContact ND2-O 3.37Å; N55-A225 PolarHBondContact N-O 3.14Å; N55-D227 PolarHBondContact ND2-OD1 3.33Å
56	V	94	Very high	91	Very high	26 Å²	26	42.2 Å²	42.2	16%	0.158	25%	0.247	C	C	.	.	S	Bend	trans	-136.5	156.3	174.4	-63.8	0	0	0	0	109.9	T54 F75 L139 A225	T54-V56 WeakPolarHBondContact CB-O 3.36Å; V56-F75 WeakPolarHBondContact O-CE2 3.48Å; V56-L139 HydrophobicContact CG2-CD1 4.16Å; V56-A225 HydrophobicContact CG2-CB 4.01Å
57	A	94.7	Very high	91	Very high	13 Å²	13	40.6 Å²	40.6	11%	0.107	24%	0.243	C	C	.	.			trans	-89.9	155.6	164.9	0	0	0	0	0	110.1	F75 V77 M154	A57-F75 CarbonylContact C-O 3.48Å; A57-F75 VanDerWaalsContact CA-O 3.27Å; A57-F75 WeakPolarHBondContact CA-O 3.2Å; A57-V77 HydrophobicContact CB-CG2 4.09Å; A57-M154 HydrophobicContact CB-CB 4.47Å
58	Y	95	Very high	91.1	Very high	3 Å²	3	35.7 Å²	35.7	1%	0.012	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-151.1	131	177.4	161.7	-99.1	0	0	0	108.4	G60 D63 S72 V73 S74 F75 W118 P134 L139 M142 L152	Y58-G60 VanDerWaalsContact CE1-CA 3.49Å; Y58-G60 WeakPolarHBondContact OH-CA 3.39Å; Y58-D63 HydrophobicContact CE2-CB 4.37Å; Y58-D63 WeakPolarHBondContact OH-CB 3.18Å; Y58-D63 PolarHBondContact OH-OD2 3.15Å; Y58-S72 PolarHBondContact OH-OG 3.09Å; Y58-V73 WeakPolarHBondContact CD1-O 3.41Å; Y58-V73 WeakPolarHBondContact CE1-O 3.27Å; Y58-S74 CarbonylContact O-C 3.56Å; Y58-S74 WeakPolarHBondContact O-CA 3.45Å; Y58-F75 VanDerWaalsContact CB-CZ 3.44Å; Y58-F75 HydrophobicContact CD1-CD1 4.09Å; Y58-F75 AromaticContact CD1-CE1 3.58Å; Y58-F75 HydrophobicContact CD1-CE1 3.58Å; Y58-F75 AromaticContact CD1-CZ 3.95Å; Y58-F75 HydrophobicContact CD1-CZ 3.95Å; Y58-F75 HydrophobicContact CE1-CE1 4.49Å; Y58-F75 HydrophobicContact CG-CE1 4.11Å; Y58-F75 AromaticContact CG-CZ 3.98Å; Y58-F75 HydrophobicContact CG-CZ 3.98Å; Y58-F75 PolarHBondContact N-O 3.1Å; Y58-F75 PolarHBondContact O-N 2.88Å; Y58-W118 WeakPolarHBondContact OH-CH2 3.36Å; Y58-P134 HydrophobicContact CD1-CG 3.94Å; Y58-P134 HydrophobicContact CD2-CG 3.98Å; Y58-P134 HydrophobicContact CE1-CG 3.86Å; Y58-P134 HydrophobicContact CE2-CG 3.89Å; Y58-P134 HydrophobicContact CG-CG 4.01Å; Y58-L139 HydrophobicContact CD2-CD2 4.01Å; Y58-L139 HydrophobicContact CG-CD2 4.39Å; Y58-M142 HydrophobicContact CD2-SD 4.45Å; Y58-M142 HydrophobicContact CE2-CE 3.92Å; Y58-M142 HydrophobicContact CE2-SD 4.23Å; Y58-L152 HydrophobicContact CE2-CD2 4.24Å
59	D	93.6	Very high	91	Very high	41 Å²	41	40.2 Å²	40.2	22%	0.219	23%	0.234	C	C	.	.			trans	-105.6	108	171	-173.8	20.5	0	0	0	111.3	A61 V62 S74	D59-A61 VanDerWaalsContact C-N 3.27Å; D59-A61 PolarHBondContact O-N 3.21Å; D59-A61 WeakPolarHBondContact OD1-CB 3.49Å; D59-A61 PolarHBondContact OD1-N 3.14Å; D59-V62 HydrophobicContact CB-CG2 4.26Å; D59-V62 WeakPolarHBondContact O-CG2 3.07Å; D59-S74 WeakPolarHBondContact OD1-CB 3.33Å; D59-S74 PolarHBondContact OD1-OG 3.46Å
60	G	91.9	Very high	91.1	Very high	6 Å²	6	40.6 Å²	40.6	6%	0.062	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-79	-4.3	175.9	0	0	0	0	0	114.5	Y58 V62 S72 S74	Y58-G60 VanDerWaalsContact CE1-CA 3.49Å; Y58-G60 WeakPolarHBondContact OH-CA 3.39Å; G60-V62 PolarHBondContact O-N 3.25Å; G60-S72 WeakPolarHBondContact O-CB 3.43Å; G60-S74 PolarHBondContact N-OG 3.04Å
61	A	89.9	Confident	91.1	Very high	83 Å²	83	41.4 Å²	41.4	69%	0.686	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-74.1	-12.9	172.2	0	0	0	0	0	113	D59	D59-A61 VanDerWaalsContact C-N 3.27Å; D59-A61 PolarHBondContact O-N 3.21Å; D59-A61 WeakPolarHBondContact OD1-CB 3.49Å; D59-A61 PolarHBondContact OD1-N 3.14Å
62	V	87.2	Confident	91.2	Very high	60 Å²	60	42.2 Å²	42.2	36%	0.364	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-123.6	20.4	179.9	-58.3	0	0	0	0	113.2	D59 G60 L152	D59-V62 HydrophobicContact CB-CG2 4.26Å; D59-V62 WeakPolarHBondContact O-CG2 3.07Å; G60-V62 PolarHBondContact O-N 3.25Å; V62-L152 HydrophobicContact CG2-CD2 3.92Å; V62-L152 HydrophobicContact CG2-CG 4.43Å
63	D	86.7	Confident	91.2	Very high	4 Å²	4	43 Å²	43	2%	0.021	26%	0.257	C	S	.	.			trans	-105.7	92.9	172.2	-171.2	5.9	0	0	0	111.4	Y58 E65 V66 W118 R138 M142 L152	Y58-D63 HydrophobicContact CE2-CB 4.37Å; Y58-D63 WeakPolarHBondContact OH-CB 3.18Å; Y58-D63 PolarHBondContact OH-OD2 3.15Å; D63-E65 PolarHBondContact O-N 2.87Å; D63-E65 VanDerWaalsContact O-N 3.17Å; D63-E65 PolarHBondContact OD1-N 2.92Å; D63-V66 WeakPolarHBondContact O-CG1 3.34Å; D63-V66 PolarHBondContact O-N 3.01Å; D63-W118 WeakPolarHBondContact OD2-CH2 3.32Å; D63-W118 WeakPolarHBondContact OD2-CZ2 3.49Å; D63-R138 IonicContact OD1-NH2 2.77Å; D63-R138 PolarHBondContact OD1-NH2 2.85Å; D63-R138 IonicContact OD2-CZ 2.89Å; D63-R138 IonicContact OD2-NE 3.88Å; D63-R138 PolarHBondContact OD2-NE 3.03Å; D63-R138 IonicContact OD2-NH2 2.72Å; D63-R138 PolarHBondContact OD2-NH2 3.44Å; D63-M142 WeakPolarHBondContact OD2-CE 3.38Å; D63-L152 HydrophobicContact CB-CD2 4.02Å
64	D	85.4	Confident	91.3	Very high	127 Å²	127	43.2 Å²	43.2	68%	0.679	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-7.9	-179.3	-47.1	-57.9	0	0	0	114
65	E	85.8	Confident	91.3	Very high	103 Å²	103	43.8 Å²	43.8	48%	0.481	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	12.8	-177.5	-61.7	161	-151.3	0	0	112.7	D63 R138 K149	D63-E65 PolarHBondContact O-N 2.87Å; D63-E65 VanDerWaalsContact O-N 3.17Å; D63-E65 PolarHBondContact OD1-N 2.92Å; E65-R138 VanDerWaalsContact CB-NH2 3.3Å; E65-R138 IonicContact OE2-CZ 2.76Å; E65-R138 IonicContact OE2-NH1 3.2Å; E65-R138 PolarHBondContact OE2-NH1 3.35Å; E65-R138 IonicContact OE2-NH2 2.76Å; E65-R138 PolarHBondContact OE2-NH2 3.13Å; E65-K149 IonicContact OE1-NZ 2.86Å; E65-K149 PolarHBondContact OE1-NZ 2.86Å
66	V	88.7	Confident	91.5	Very high	12 Å²	12	43.8 Å²	43.8	7%	0.073	27%	0.274	C	S	.	.	S	Bend	trans	-69.4	141.6	175.8	62.5	0	0	0	0	111.8	D63 V68 L69 W118 F132	D63-V66 WeakPolarHBondContact O-CG1 3.34Å; D63-V66 PolarHBondContact O-N 3.01Å; V66-V68 VanDerWaalsContact CG1-O 3.27Å; V66-V68 WeakPolarHBondContact CG1-O 3.3Å; V66-V68 PolarHBondContact O-N 3.11Å; V66-L69 HydrophobicContact CG1-CD2 4.1Å; V66-W118 VanDerWaalsContact CA-CZ2 3.48Å; V66-W118 HydrophobicContact CB-CH2 3.93Å; V66-W118 HydrophobicContact CB-CZ2 3.95Å; V66-W118 HydrophobicContact CG2-CH2 4.01Å; V66-W118 HydrophobicContact CG2-CZ2 4.25Å; V66-W118 HydrophobicContact CG2-CZ3 4.34Å; V66-F132 HydrophobicContact CG2-CB 3.83Å; V66-F132 HydrophobicContact CG2-CD2 3.87Å; V66-F132 HydrophobicContact CG2-CG 4.11Å
67	P	88.8	Confident	91.6	Very high	35 Å²	35	45.6 Å²	45.6	23%	0.227	29%	0.285	C	S	.	.	S	Bend	trans	-64.9	-11.9	-175.5	-24.4	36.1	0	0	0	115.6	E33 A36 W118 F132	E33-P67 WeakPolarHBondContact CG-O 3.41Å; A36-P67 HydrophobicContact CB-CB 3.91Å; A36-P67 WeakPolarHBondContact CB-O 3.33Å; P67-W118 HydrophobicContact CG-CB 4.49Å; P67-W118 HydrophobicContact CG-CD2 4.34Å; P67-W118 HydrophobicContact CG-CG 3.92Å; P67-F132 HydrophobicContact CB-CD1 4.44Å; P67-F132 HydrophobicContact CB-CE1 4.15Å; P67-F132 HydrophobicContact CB-CE2 4.45Å; P67-F132 HydrophobicContact CB-CZ 4.17Å; P67-F132 HydrophobicContact CG-CD1 4.06Å; P67-F132 HydrophobicContact CG-CE1 4.21Å; P67-F132 HydrophobicContact CG-CG 4.38Å
68	V	89.2	Confident	91.6	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.018	31%	0.307	C	S	.	.	S	Bend	trans	-144.9	120.2	166.5	-175.2	0	0	0	0	107.2	E33 A36 R37 V66 G70 R71 F132	E33-V68 HydrophobicContact CG-CB 4.21Å; E33-V68 HydrophobicContact CG-CG1 4.13Å; E33-V68 HydrophobicContact CG-CG2 3.97Å; A36-V68 HydrophobicContact CB-CG2 3.45Å; A36-V68 VanDerWaalsContact CB-CG2 3.45Å; R37-V68 HydrophobicContact CG-CB 4.43Å; R37-V68 HydrophobicContact CG-CG1 3.78Å; R37-V68 HydrophobicContact CG-CG2 3.71Å; V66-V68 VanDerWaalsContact CG1-O 3.27Å; V66-V68 WeakPolarHBondContact CG1-O 3.3Å; V66-V68 PolarHBondContact O-N 3.11Å; V68-G70 PolarHBondContact O-N 3.36Å; V68-R71 HydrophobicContact CB-CB 4.08Å; V68-R71 HydrophobicContact CB-CG 4.05Å; V68-R71 HydrophobicContact CG1-CB 4.33Å; V68-R71 HydrophobicContact CG1-CG 3.75Å; V68-R71 PolarHBondContact O-N 2.74Å; V68-R71 VanDerWaalsContact O-N 3.12Å; V68-F132 HydrophobicContact CB-CE2 3.92Å; V68-F132 HydrophobicContact CG2-CE2 3.66Å; V68-F132 HydrophobicContact CG2-CZ 4.08Å
69	L	88	Confident	91.7	Very high	113 Å²	113	53.2 Å²	53.2	59%	0.592	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	138.4	-176.9	-67.2	176.3	0	0	0	111.3	E33 V66 R71	E33-L69 PolarHBondContact OE1-N 2.92Å; V66-L69 HydrophobicContact CG1-CD2 4.1Å; L69-R71 PolarHBondContact O-N 2.71Å
70	G	89.2	Confident	91.9	Very high	73 Å²	73	53.1 Å²	53.1	75%	0.753	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	70	7	-177.3	0	0	0	0	0	115.8	V68	V68-G70 PolarHBondContact O-N 3.36Å
71	R	92.2	Very high	92.2	Very high	72 Å²	72	52.9 Å²	52.9	27%	0.272	31%	0.313	S	S	.	.			trans	-108.6	17.4	174.7	-60.9	-57.6	-58.1	-168.3	0.1	114.2	L40 V68 L69 E129 L130 G131 F132	L40-R71 HydrophobicContact CD2-CB 4.09Å; L40-R71 HydrophobicContact CD2-CG 4.23Å; V68-R71 HydrophobicContact CB-CB 4.08Å; V68-R71 HydrophobicContact CB-CG 4.05Å; V68-R71 HydrophobicContact CG1-CB 4.33Å; V68-R71 HydrophobicContact CG1-CG 3.75Å; V68-R71 PolarHBondContact O-N 2.74Å; V68-R71 VanDerWaalsContact O-N 3.12Å; L69-R71 PolarHBondContact O-N 2.71Å; R71-E129 IonicContact CZ-OE2 2.9Å; R71-E129 VanDerWaalsContact CZ-OE2 3.23Å; R71-E129 IonicContact NH1-OE2 2.83Å; R71-E129 PolarHBondContact NH1-OE2 2.99Å; R71-E129 IonicContact NH2-OE2 2.98Å; R71-E129 PolarHBondContact NH2-OE2 2.9Å; R71-L130 PolarHBondContact NH2-O 2.76Å; R71-G131 CarbonylContact O-C 3.6Å; R71-G131 WeakPolarHBondContact O-CA 3.47Å; R71-F132 HydrophobicContact CB-CD2 4.06Å; R71-F132 HydrophobicContact CB-CE2 4.22Å; R71-F132 PolarHBondContact O-N 2.99Å
72	S	94.2	Very high	92.5	Very high	20 Å²	20	49.1 Å²	49.1	14%	0.14	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-78.7	150.3	170.7	-155.2	0	0	0	0	111.3	Y58 G60 F132	Y58-S72 PolarHBondContact OH-OG 3.09Å; G60-S72 WeakPolarHBondContact O-CB 3.43Å; S72-F132 CarbonylContact C-O 3.41Å; S72-F132 WeakPolarHBondContact CA-O 3.36Å; S72-F132 PolarHBondContact OG-O 3.25Å
73	V	96.1	Very high	92.8	Very high	17 Å²	17	46.3 Å²	46.3	10%	0.103	26%	0.264	C	S	.	.			trans	-100.8	105.2	178.8	-177.1	0	0	0	0	109.8	Y58 F75 L123 F132 I133	Y58-V73 WeakPolarHBondContact CD1-O 3.41Å; Y58-V73 WeakPolarHBondContact CE1-O 3.27Å; V73-F75 VanDerWaalsContact O-CD1 3.3Å; V73-F75 WeakPolarHBondContact O-CD1 3.44Å; V73-L123 HydrophobicContact CG1-CB 4.28Å; V73-F132 PolarHBondContact N-O 2.94Å; V73-I133 HydrophobicContact CB-CG1 3.84Å; V73-I133 HydrophobicContact CG1-CG1 4.4Å; V73-I133 HydrophobicContact CG2-CG1 3.99Å
74	S	96.8	Very high	92.9	Very high	48 Å²	48	47.8 Å²	47.8	34%	0.336	27%	0.271	S	S	.	.			trans	-69.5	144.1	168	-50.4	0	0	0	0	111.1	Y58 D59 G60	Y58-S74 CarbonylContact O-C 3.56Å; Y58-S74 WeakPolarHBondContact O-CA 3.45Å; D59-S74 WeakPolarHBondContact OD1-CB 3.33Å; D59-S74 PolarHBondContact OD1-OG 3.46Å; G60-S74 PolarHBondContact N-OG 3.04Å
75	F	97.5	Very high	92.5	Very high	11 Å²	11	44.2 Å²	44.2	5%	0.048	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-151.3	150.1	178.1	53.1	-101.2	0	0	0	112.5	T54 V56 A57 Y58 V73 D79 L81 I133 P134 L139 Y226	T54-F75 HydrophobicContact CG2-CB 4.43Å; T54-F75 HydrophobicContact CG2-CD2 3.48Å; T54-F75 VanDerWaalsContact CG2-CD2 3.48Å; T54-F75 HydrophobicContact CG2-CE2 3.85Å; T54-F75 HydrophobicContact CG2-CG 3.98Å; V56-F75 WeakPolarHBondContact O-CE2 3.48Å; A57-F75 CarbonylContact C-O 3.48Å; A57-F75 VanDerWaalsContact CA-O 3.27Å; A57-F75 WeakPolarHBondContact CA-O 3.2Å; Y58-F75 VanDerWaalsContact CB-CZ 3.44Å; Y58-F75 HydrophobicContact CD1-CD1 4.09Å; Y58-F75 AromaticContact CD1-CE1 3.58Å; Y58-F75 HydrophobicContact CD1-CE1 3.58Å; Y58-F75 AromaticContact CD1-CZ 3.95Å; Y58-F75 HydrophobicContact CD1-CZ 3.95Å; Y58-F75 HydrophobicContact CE1-CE1 4.49Å; Y58-F75 HydrophobicContact CG-CE1 4.11Å; Y58-F75 AromaticContact CG-CZ 3.98Å; Y58-F75 HydrophobicContact CG-CZ 3.98Å; Y58-F75 PolarHBondContact N-O 3.1Å; Y58-F75 PolarHBondContact O-N 2.88Å; V73-F75 VanDerWaalsContact O-CD1 3.3Å; V73-F75 WeakPolarHBondContact O-CD1 3.44Å; F75-D79 WeakPolarHBondContact CA-OD2 3.14Å; F75-D79 HydrophobicContact CB-CB 4.13Å; F75-L81 HydrophobicContact CB-CD2 4.17Å; F75-L81 HydrophobicContact CD1-CD1 3.87Å; F75-L81 HydrophobicContact CD1-CD2 4.21Å; F75-L81 HydrophobicContact CE1-CD1 4Å; F75-L81 HydrophobicContact CG-CD1 4.33Å; F75-L81 HydrophobicContact CG-CD2 4.37Å; F75-I133 HydrophobicContact CE1-CG2 4.33Å; F75-P134 HydrophobicContact CE1-CG 4.41Å; F75-P134 HydrophobicContact CZ-CG 4.4Å; F75-L139 HydrophobicContact CZ-CD1 4.39Å; F75-Y226 HydrophobicContact CE1-CE1 4.47Å; F75-Y226 WeakPolarHBondContact CE1-OH 3.43Å; F75-Y226 HydrophobicContact CE2-CE1 4.04Å; F75-Y226 AromaticContact CZ-CE1 3.78Å; F75-Y226 HydrophobicContact CZ-CE1 3.78Å; F75-Y226 AromaticContact CZ-CZ 3.9Å; F75-Y226 WeakPolarHBondContact CZ-OH 3.41Å
76	A	97.1	Very high	91.4	Very high	49 Å²	49	41.9 Å²	41.9	41%	0.405	24%	0.242	S	C	.	.			trans	-85.5	-177.1	173.4	0	0	0	0	0	111.9	T54 D79	T54-A76 PolarHBondContact OG1-O 3.2Å; A76-D79 PolarHBondContact N-OD2 3.49Å
77	V	95.4	Very high	89.9	Confident	64 Å²	64	42.2 Å²	42.2	39%	0.388	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	140.6	170	-170.3	0	0	0	0	109.6	A57 D79	A57-V77 HydrophobicContact CB-CG2 4.09Å; V77-D79 PolarHBondContact O-N 2.89Å
78	K	95.1	Very high	87.6	Confident	129 Å²	129	47 Å²	47	56%	0.561	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.2	2.6	-172.5	-49.2	178.1	-175.9	171.7	0	115.5	T54 F80	T54-K78 WeakPolarHBondContact O-CA 3.47Å; T54-K78 PolarHBondContact O-N 3.42Å; T54-K78 PolarHBondContact OG1-N 3.37Å; T54-K78 VanDerWaalsContact OG1-N 3.08Å; K78-F80 WeakPolarHBondContact O-CE2 3.37Å
79	D	97.7	Very high	85.1	Confident	47 Å²	47	50.6 Å²	50.6	25%	0.251	28%	0.281	S	S	.	.			trans	-62	156.6	171.9	-87.6	-4.6	0	0	0	111.3	R53 T54 F75 A76 V77 L123	R53-D79 CarbonylContact C-O 3.6Å; R53-D79 VanDerWaalsContact CA-O 3.29Å; R53-D79 WeakPolarHBondContact CA-O 3.39Å; T54-D79 HydrophobicContact CG2-CB 4.14Å; T54-D79 PolarHBondContact N-O 3.39Å; T54-D79 PolarHBondContact OG1-N 3.26Å; T54-D79 PolarHBondContact OG1-O 3.17Å; F75-D79 WeakPolarHBondContact CA-OD2 3.14Å; F75-D79 HydrophobicContact CB-CB 4.13Å; A76-D79 PolarHBondContact N-OD2 3.49Å; V77-D79 PolarHBondContact O-N 2.89Å; D79-L123 HydrophobicContact CB-CD1 3.76Å; D79-L123 WeakPolarHBondContact OD2-CD1 3.35Å
80	F	98.2	Very high	82.6	Confident	40 Å²	40	53.5 Å²	53.5	18%	0.175	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	130.7	179	-69.1	-94.2	0	0	0	110.3	V52 R53 K78 V124 V229 R233 A403	V52-F80 CarbonylContact O-C 3.58Å; V52-F80 WeakPolarHBondContact O-CA 3.41Å; R53-F80 HydrophobicContact CB-CD1 4.25Å; R53-F80 HydrophobicContact CB-CE1 4.08Å; R53-F80 HydrophobicContact CG-CE1 4.34Å; R53-F80 HydrophobicContact CG-CZ 4.35Å; K78-F80 WeakPolarHBondContact O-CE2 3.37Å; F80-V124 HydrophobicContact CB-CB 4Å; F80-V124 HydrophobicContact CB-CG2 4.07Å; F80-V124 WeakPolarHBondContact O-CB 3.43Å; F80-V124 WeakPolarHBondContact O-CG2 3.4Å; F80-V124 PolarHBondContact O-N 3.04Å; F80-V229 HydrophobicContact CD1-CG2 4.11Å; F80-V229 HydrophobicContact CE1-CG2 4.29Å; F80-R233 HydrophobicContact CD1-CG 4.17Å; F80-R233 HydrophobicContact CE1-CG 3.79Å; F80-R233 HydrophobicContact CZ-CG 4.18Å; F80-R233 VanDerWaalsContact CZ-NE 3.31Å; F80-A403 HydrophobicContact CE1-CB 3.67Å; F80-A403 HydrophobicContact CZ-CB 3.94Å
81	L	97.5	Very high	80	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	132.4	179.8	-47.6	175.4	0	0	0	110.4	S51 V52 T54 F75 I83 R122 L123 I133 Y226	S51-L81 VanDerWaalsContact CA-O 3.29Å; S51-L81 WeakPolarHBondContact CA-O 3.34Å; V52-L81 HydrophobicContact CG2-CB 3.76Å; V52-L81 HydrophobicContact CG2-CD1 4.08Å; V52-L81 HydrophobicContact CG2-CG 4.19Å; V52-L81 PolarHBondContact N-O 2.87Å; V52-L81 PolarHBondContact O-N 3.21Å; T54-L81 HydrophobicContact CG2-CD1 3.88Å; T54-L81 HydrophobicContact CG2-CG 4.03Å; F75-L81 HydrophobicContact CB-CD2 4.17Å; F75-L81 HydrophobicContact CD1-CD1 3.87Å; F75-L81 HydrophobicContact CD1-CD2 4.21Å; F75-L81 HydrophobicContact CE1-CD1 4Å; F75-L81 HydrophobicContact CG-CD1 4.33Å; F75-L81 HydrophobicContact CG-CD2 4.37Å; L81-I83 HydrophobicContact CB-CD1 4.3Å; L81-R122 CarbonylContact C-O 3.59Å; L81-R122 VanDerWaalsContact CA-O 3.3Å; L81-R122 WeakPolarHBondContact CA-O 3.38Å; L81-L123 HydrophobicContact CD2-CB 4.37Å; L81-L123 HydrophobicContact CD2-CD1 3.95Å; L81-I133 HydrophobicContact CB-CD1 4.18Å; L81-I133 HydrophobicContact CD1-CD1 4.12Å; L81-I133 HydrophobicContact CD1-CG1 4.47Å; L81-I133 HydrophobicContact CD1-CG2 3.89Å; L81-Y226 HydrophobicContact CD1-CE1 3.95Å
82	H	96.2	Very high	77.2	Confident	5 Å²	5	59.1 Å²	59.1	2%	0.023	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	118	169.2	-79.1	176.4	0	0	0	109.3	V48 S51 G121 R122 V124 S231	V48-H82 HydrophobicContact CG1-CB 4.04Å; V48-H82 HydrophobicContact CG2-CB 4.11Å; S51-H82 PolarHBondContact OG-CD2 3.45Å; H82-G121 CarbonylContact O-C 3.59Å; H82-G121 WeakPolarHBondContact O-CA 3.49Å; H82-R122 HydrophobicContact CB-CG 4.1Å; H82-R122 PolarHBondContact N-O 3.12Å; H82-R122 PolarHBondContact O-N 3.37Å; H82-V124 HydrophobicContact CB-CG2 4.2Å; H82-V124 WeakPolarHBondContact CD2-CG2 3.41Å; H82-S231 PolarHBondContact NE2-O 2.97Å
83	I	93.1	Very high	74.3	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	128.4	177.9	-51	-53.1	0	0	0	109.3	A49 F50 L81 V86 W119 I133	A49-I83 PolarHBondContact N-O 2.8Å; F50-I83 HydrophobicContact CD1-CB 4.42Å; F50-I83 HydrophobicContact CD2-CB 4.33Å; F50-I83 HydrophobicContact CD2-CG1 4.13Å; F50-I83 HydrophobicContact CE1-CB 4.13Å; F50-I83 HydrophobicContact CE1-CG2 3.92Å; F50-I83 HydrophobicContact CE2-CB 4.03Å; F50-I83 HydrophobicContact CE2-CG1 3.62Å; F50-I83 HydrophobicContact CE2-CG2 4.42Å; F50-I83 HydrophobicContact CZ-CB 3.92Å; F50-I83 HydrophobicContact CZ-CG1 3.88Å; F50-I83 HydrophobicContact CZ-CG2 3.82Å; F50-I83 PolarHBondContact O-N 2.65Å; L81-I83 HydrophobicContact CB-CD1 4.3Å; I83-V86 HydrophobicContact CG2-CG2 4.11Å; I83-W119 HydrophobicContact CD1-CE3 3.77Å; I83-W119 HydrophobicContact CD1-CZ3 4.42Å; I83-W119 HydrophobicContact CG1-CE3 3.94Å; I83-W119 HydrophobicContact CG1-CZ3 4.32Å; I83-W119 HydrophobicContact CG2-CB 4.19Å; I83-I133 HydrophobicContact CD1-CD1 3.58Å; I83-I133 HydrophobicContact CD1-CG2 4.48Å
84	K	88.3	Confident	71.1	Confident	36 Å²	36	69.1 Å²	69.1	16%	0.157	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	-37.6	176.2	-66.6	-61.6	-166.5	173.5	0	111.9	A43 K46 P47 I120 L130	A43-K84 HydrophobicContact CB-CB 4.25Å; K46-K84 WeakPolarHBondContact O-CD 3.23Å; K46-K84 WeakPolarHBondContact O-CE 3.3Å; K46-K84 PolarHBondContact O-NZ 3.47Å; P47-K84 WeakPolarHBondContact O-CD 3.18Å; K84-I120 PolarHBondContact N-O 2.82Å; K84-L130 HydrophobicContact CG-CD1 4.07Å; K84-L130 HydrophobicContact CG-CD2 3.54Å
85	E	78	Confident	68.2	Low	52 Å²	52	77.9 Å²	77.9	24%	0.243	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	139.9	-173.7	-175.1	153	-124.2	0	0	111.1	K46 I120	K46-E85 IonicContact NZ-OE1 3.46Å; K46-E85 PolarHBondContact NZ-OE1 3.03Å; K46-E85 IonicContact NZ-OE2 2.64Å; K46-E85 PolarHBondContact NZ-OE2 3.1Å; E85-I120 HydrophobicContact CB-CB 4.37Å; E85-I120 PolarHBondContact N-O 3.28Å; E85-I120 PolarHBondContact O-N 3.41Å
86	V	61.4	Low	65.3	Low	54 Å²	54	86 Å²	86	33%	0.327	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	131.5	168.5	172.1	0	0	0	0	107.2	F50 I83 Q88 W119	F50-V86 HydrophobicContact CE1-CG2 3.55Å; F50-V86 HydrophobicContact CZ-CG2 3.73Å; I83-V86 HydrophobicContact CG2-CG2 4.11Å; V86-Q88 VanDerWaalsContact C-N 3.28Å; V86-Q88 HydrophobicContact CG1-CG 4.15Å; V86-Q88 PolarHBondContact O-N 2.7Å; V86-W119 HydrophobicContact CG2-CD2 4.25Å; V86-W119 HydrophobicContact CG2-CG 4.03Å
87	L	57.4	Low	62.2	Low	19 Å²	19	93.3 Å²	93.3	10%	0.099	44%	0.439	C	S	.	.			trans	-72.7	80.2	177.7	-67	171.4	0	0	0	110.9	Y114 W118	L87-Y114 HydrophobicContact CD1-CD1 3.88Å; L87-Y114 HydrophobicContact CD2-CD1 3.99Å; L87-W118 HydrophobicContact CD1-CB 4.19Å
88	Q	41.3	Very low	59.4	Low	134 Å²	134	95 Å²	95	63%	0.626	45%	0.454	S	S	*	.			trans	-93.4	99.6	164.4	-68.5	-156.6	-70.5	0	0	110	V86 Y90	V86-Q88 VanDerWaalsContact C-N 3.28Å; V86-Q88 HydrophobicContact CG1-CG 4.15Å; V86-Q88 PolarHBondContact O-N 2.7Å; Q88-Y90 HydrophobicContact CB-CD2 4.1Å; Q88-Y90 HydrophobicContact CB-CE2 4.17Å; Q88-Y90 PolarHBondContact O-N 2.91Å
89	I	36.8	Very low	56.5	Low	80 Å²	80	98.9 Å²	98.9	41%	0.41	47%	0.47	S	S	.	.			trans	-71.3	94.4	165.4	-57.3	-176.3	0	0	0	108.8	F91 Y114	I89-F91 HydrophobicContact CG2-CD2 3.76Å; I89-Y114 WeakPolarHBondContact CD1-O 3.25Å
90	Y	34.5	Very low	53.8	Low	173 Å²	173	100.9 Å²	100.9	68%	0.678	49%	0.493	S	S	*	.			trans	-96.7	105.6	155.2	-76.4	-71.5	0	0	0	108.6	Q88 T92	Q88-Y90 HydrophobicContact CB-CD2 4.1Å; Q88-Y90 HydrophobicContact CB-CE2 4.17Å; Q88-Y90 PolarHBondContact O-N 2.91Å; Y90-T92 PolarHBondContact O-N 3.38Å
91	F	36	Very low	51.1	Low	136 Å²	136	104.5 Å²	104.5	60%	0.596	52%	0.524	S	S	*	.			trans	-76.2	87.8	-178.1	-134.5	-95.8	0	0	0	110.8	I89 I93 H112	I89-F91 HydrophobicContact CG2-CD2 3.76Å; F91-I93 HydrophobicContact CD1-CG1 4.32Å; F91-I93 PolarHBondContact O-N 3.42Å; F91-H112 AromaticContact CD1-CE1 3.9Å; F91-H112 AromaticContact CD2-CE1 3.51Å; F91-H112 AromaticContact CD2-ND1 3.85Å; F91-H112 AromaticContact CD2-NE2 3.73Å; F91-H112 AromaticContact CE1-CE1 3.71Å; F91-H112 AromaticContact CE2-CE1 3.31Å; F91-H112 WeakPolarHBondContact CE2-CE1 3.25Å; F91-H112 AromaticContact CE2-ND1 3.5Å; F91-H112 AromaticContact CG-CE1 3.81Å; F91-H112 AromaticContact CG-NE2 3.73Å; F91-H112 AromaticContact CZ-CE1 3.41Å; F91-H112 VanDerWaalsContact CZ-CE1 3.41Å; F91-H112 WeakPolarHBondContact CZ-CE1 3.38Å; F91-H112 AromaticContact CZ-ND1 3.93Å
92	T	33.1	Very low	48.1	Very low	128 Å²	128	115 Å²	115	79%	0.785	57%	0.57	S	S	*	*			trans	-74	91.6	173.9	-57.6	0	0	0	0	109.9	Y90	Y90-T92 PolarHBondContact O-N 3.38Å
93	I	33.1	Very low	45.2	Very low	125 Å²	125	119.9 Å²	119.9	64%	0.641	60%	0.604	S	S	*	*			trans	-64.1	141.1	172	-56.3	176.5	0	0	0	109.2	F91	F91-I93 HydrophobicContact CD1-CG1 4.32Å; F91-I93 PolarHBondContact O-N 3.42Å
94	N	29	Very low	42.3	Very low	121 Å²	121	125.6 Å²	125.6	65%	0.647	64%	0.643	S	S	*	*			trans	87.8	110.9	177.2	-51.6	-71	0	0	0	117.8
95	R	34.8	Very low	39.6	Very low	232 Å²	232	134.3 Å²	134.3	88%	0.875	68%	0.676	S	S	*	*	S	Bend	trans	-149.2	-4.4	137.6	-139.6	-167.9	162.6	123.1	1.3	117.4
96	H	37.6	Very low	37.3	Very low	182 Å²	182	138.5 Å²	138.5	84%	0.843	70%	0.7	S	S	*	*			trans	-126.6	62.5	179.9	-78	-74.5	0	0	0	114.3
97	F	32	Very low	35.9	Very low	202 Å²	202	141.6 Å²	141.6	89%	0.886	71%	0.714	S	S	*	*			trans	-87.1	99.8	163.9	-127.1	-84.7	0	0	0	109.4
98	S	37.3	Very low	34.6	Very low	100 Å²	100	148.3 Å²	148.3	70%	0.699	75%	0.747	S	S	*	*			trans	-143.8	76.3	-177.9	-174.4	0	0	0	0	115	A100	S98-A100 PolarHBondContact O-N 3.01Å
99	K	33.9	Very low	34.2	Very low	210 Å²	210	146.2 Å²	146.2	91%	0.913	74%	0.744	S	S	*	*			trans	41.6	64.7	142.1	-58.7	-179	179.5	178.1	0	118.3
100	A	41.4	Very low	33.9	Very low	89 Å²	89	145.6 Å²	145.6	74%	0.736	75%	0.75	S	S	*	*			trans	-155.8	156.2	153.6	0	0	0	0	0	111.4	S98	S98-A100 PolarHBondContact O-N 3.01Å
101	S	40	Very low	33.9	Very low	116 Å²	116	143 Å²	143	81%	0.811	75%	0.748	S	S	*	*			trans	53.9	111.1	168.3	-64	0	0	0	0	118.9	S103	S101-S103 PolarHBondContact O-N 3.34Å
102	K	35.6	Very low	33.7	Very low	222 Å²	222	141 Å²	141	97%	0.965	74%	0.741	S	S	*	*	S	Bend	trans	-73	83.9	165.7	-65.2	176.9	179.5	178.1	0	110.8
103	S	35.7	Very low	33.9	Very low	106 Å²	106	143.5 Å²	143.5	74%	0.741	74%	0.741	S	S	*	*			trans	-150.8	77.2	162.3	-164.9	0	0	0	0	110.2	S101 Y105	S101-S103 PolarHBondContact O-N 3.34Å; S103-Y105 PolarHBondContact O-N 2.86Å
104	C	30.8	Very low	34.3	Very low	121 Å²	121	139.3 Å²	139.3	82%	0.818	72%	0.717	S	S	*	*			trans	-89.5	83.5	178.4	51.8	0	0	0	0	110.5	L106	C104-L106 PolarHBondContact O-N 2.67Å
105	Y	31.4	Very low	35.4	Very low	219 Å²	219	134.9 Å²	134.9	86%	0.859	70%	0.695	S	S	*	*			trans	-75.6	112.9	156.1	-132.6	-93.2	0	0	0	107.4	S103 D107	S103-Y105 PolarHBondContact O-N 2.86Å; Y105-D107 VanDerWaalsContact C-N 3.3Å; Y105-D107 PolarHBondContact O-N 3.28Å; Y105-D107 VanDerWaalsContact O-N 3.07Å
106	L	31.4	Very low	36.9	Very low	140 Å²	140	127.7 Å²	127.7	73%	0.733	68%	0.681	S	S	*	*			trans	-77.4	84.2	171.4	-79.6	167.2	0	0	0	108.3	C104 M108	C104-L106 PolarHBondContact O-N 2.67Å; L106-M108 PolarHBondContact O-N 2.97Å; L106-M108 VanDerWaalsContact O-N 3.13Å
107	D	30.1	Very low	39	Very low	119 Å²	119	121.4 Å²	121.4	64%	0.636	65%	0.653	S	S	*	*			trans	-74.3	101.7	167.1	-168.6	29.6	0	0	0	109	Y105 T109	Y105-D107 VanDerWaalsContact C-N 3.3Å; Y105-D107 PolarHBondContact O-N 3.28Å; Y105-D107 VanDerWaalsContact O-N 3.07Å; D107-T109 VanDerWaalsContact CG-OG1 3.29Å; D107-T109 PolarHBondContact O-N 3.41Å; D107-T109 WeakPolarHBondContact OD1-CG2 3.41Å; D107-T109 WeakPolarHBondContact OD2-CG2 3.49Å; D107-T109 PolarHBondContact OD2-OG1 3.18Å
108	M	30.6	Very low	41.8	Very low	160 Å²	160	112.1 Å²	112.1	79%	0.788	61%	0.613	S	S	*	*			trans	-82.2	44.8	-179.2	-69.7	-172.9	169.2	0	0	111.7	L106 A110	L106-M108 PolarHBondContact O-N 2.97Å; L106-M108 VanDerWaalsContact O-N 3.13Å; M108-A110 PolarHBondContact O-N 3.31Å
109	T	33.7	Very low	44.4	Very low	90 Å²	90	108.8 Å²	108.8	55%	0.552	59%	0.585	S	S	*	*			trans	-81.9	62.1	175.9	41.3	0	0	0	0	111.3	D107 D111	D107-T109 VanDerWaalsContact CG-OG1 3.29Å; D107-T109 PolarHBondContact O-N 3.41Å; D107-T109 WeakPolarHBondContact OD1-CG2 3.41Å; D107-T109 WeakPolarHBondContact OD2-CG2 3.49Å; D107-T109 PolarHBondContact OD2-OG1 3.18Å; T109-D111 PolarHBondContact O-N 3.49Å
110	A	31.1	Very low	47.2	Very low	67 Å²	67	98.9 Å²	98.9	55%	0.554	54%	0.541	S	S	*	.			trans	-74	56.6	171.2	0	0	0	0	0	111.9	M108 H112	M108-A110 PolarHBondContact O-N 3.31Å; A110-H112 PolarHBondContact O-N 2.92Å
111	D	33	Very low	49.8	Very low	119 Å²	119	94.6 Å²	94.6	64%	0.636	51%	0.506	S	S	*	.			trans	-70.6	57.5	172	-86.2	-15.5	0	0	0	110.3	K28 T109 K113	K28-D111 IonicContact NZ-OD2 2.88Å; K28-D111 PolarHBondContact NZ-OD2 2.9Å; T109-D111 PolarHBondContact O-N 3.49Å; D111-K113 PolarHBondContact O-N 3.43Å
112	H	32.2	Very low	52.5	Low	94 Å²	94	89.3 Å²	89.3	44%	0.435	47%	0.469	S	S	.	.			trans	-74.2	87.1	177.1	-62.1	-12.9	0	0	0	110.4	F91 A110	F91-H112 AromaticContact CD1-CE1 3.9Å; F91-H112 AromaticContact CD2-CE1 3.51Å; F91-H112 AromaticContact CD2-ND1 3.85Å; F91-H112 AromaticContact CD2-NE2 3.73Å; F91-H112 AromaticContact CE1-CE1 3.71Å; F91-H112 AromaticContact CE2-CE1 3.31Å; F91-H112 WeakPolarHBondContact CE2-CE1 3.25Å; F91-H112 AromaticContact CE2-ND1 3.5Å; F91-H112 AromaticContact CG-CE1 3.81Å; F91-H112 AromaticContact CG-NE2 3.73Å; F91-H112 AromaticContact CZ-CE1 3.41Å; F91-H112 VanDerWaalsContact CZ-CE1 3.41Å; F91-H112 WeakPolarHBondContact CZ-CE1 3.38Å; F91-H112 AromaticContact CZ-ND1 3.93Å; A110-H112 PolarHBondContact O-N 2.92Å
113	K	36.7	Very low	55.4	Low	180 Å²	180	79.8 Å²	79.8	78%	0.783	43%	0.428	S	S	*	.			trans	-144.6	39.6	178.8	-129.1	177.7	-174.6	-174.5	0	118.5	D111 S115	D111-K113 PolarHBondContact O-N 3.43Å; K113-S115 VanDerWaalsContact C-N 3.31Å; K113-S115 PolarHBondContact O-N 3.3Å; K113-S115 VanDerWaalsContact O-N 3.13Å
114	Y	42.3	Very low	58.4	Low	36 Å²	36	75.9 Å²	75.9	14%	0.141	40%	0.4	C	S	.	.	S	Bend	trans	-69.5	97.3	142.6	-97.4	-94.3	0	0	0	107.9	S32 Q35 A36 Q39 L87 I89	S32-Y114 PolarHBondContact O-OH 3.32Å; Q35-Y114 VanDerWaalsContact C-OH 3.3Å; Q35-Y114 HydrophobicContact CB-CE2 4.45Å; Q35-Y114 HydrophobicContact CG-CE2 4.16Å; A36-Y114 WeakPolarHBondContact CA-OH 3.38Å; A36-Y114 HydrophobicContact CB-CE1 4.42Å; A36-Y114 VanDerWaalsContact CB-OH 3.24Å; A36-Y114 WeakPolarHBondContact CB-OH 3.43Å; A36-Y114 PolarHBondContact N-OH 2.64Å; Q39-Y114 PolarHBondContact NE2-OH 3.17Å; L87-Y114 HydrophobicContact CD1-CD1 3.88Å; L87-Y114 HydrophobicContact CD2-CD1 3.99Å; I89-Y114 WeakPolarHBondContact CD1-O 3.25Å
115	S	51.4	Low	61.5	Low	28 Å²	28	76.2 Å²	76.2	20%	0.196	39%	0.387	C	S	.	.			trans	-74.7	152.6	-168.1	68	0	0	0	0	112.7	K113 D117	K113-S115 VanDerWaalsContact C-N 3.31Å; K113-S115 PolarHBondContact O-N 3.3Å; K113-S115 VanDerWaalsContact O-N 3.13Å; S115-D117 WeakPolarHBondContact CB-OD2 3.32Å; S115-D117 PolarHBondContact O-N 3.21Å; S115-D117 WeakPolarHBondContact OG-CB 3.34Å; S115-D117 PolarHBondContact OG-OD2 3.32Å
116	S	66.4	Low	64.4	Low	82 Å²	82	70.7 Å²	70.7	57%	0.573	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	5.2	170.6	47.3	0	0	0	0	114.3	W118 S135	S116-W118 VanDerWaalsContact C-N 3.33Å; S116-S135 VanDerWaalsContact O-CB 3.23Å; S116-S135 WeakPolarHBondContact O-CB 3.5Å; S116-S135 PolarHBondContact O-OG 3.3Å
117	D	82.9	Confident	67.3	Low	50 Å²	50	67.7 Å²	67.7	27%	0.267	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-9.9	-170.7	-47.4	-27	0	0	0	111.5	S115 S135 R138	S115-D117 WeakPolarHBondContact CB-OD2 3.32Å; S115-D117 PolarHBondContact O-N 3.21Å; S115-D117 WeakPolarHBondContact OG-CB 3.34Å; S115-D117 PolarHBondContact OG-OD2 3.32Å; D117-S135 WeakPolarHBondContact CA-OG 3.39Å; D117-S135 PolarHBondContact O-N 3.26Å; D117-R138 HydrophobicContact CB-CB 3.92Å; D117-R138 HydrophobicContact CB-CG 4.17Å; D117-R138 WeakPolarHBondContact O-CB 3.4Å; D117-R138 WeakPolarHBondContact O-CD 3.47Å
118	W	89.5	Confident	70.4	Confident	7 Å²	7	63.9 Å²	63.9	3%	0.027	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	142.2	-174.8	-66.2	105.3	0	0	0	112.7	Y58 D63 V66 P67 L87 S116 F132 P134	Y58-W118 WeakPolarHBondContact OH-CH2 3.36Å; D63-W118 WeakPolarHBondContact OD2-CH2 3.32Å; D63-W118 WeakPolarHBondContact OD2-CZ2 3.49Å; V66-W118 VanDerWaalsContact CA-CZ2 3.48Å; V66-W118 HydrophobicContact CB-CH2 3.93Å; V66-W118 HydrophobicContact CB-CZ2 3.95Å; V66-W118 HydrophobicContact CG2-CH2 4.01Å; V66-W118 HydrophobicContact CG2-CZ2 4.25Å; V66-W118 HydrophobicContact CG2-CZ3 4.34Å; P67-W118 HydrophobicContact CG-CB 4.49Å; P67-W118 HydrophobicContact CG-CD2 4.34Å; P67-W118 HydrophobicContact CG-CG 3.92Å; L87-W118 HydrophobicContact CD1-CB 4.19Å; S116-W118 VanDerWaalsContact C-N 3.33Å; W118-F132 HydrophobicContact CB-CD1 4.49Å; W118-F132 HydrophobicContact CD2-CB 4.27Å; W118-F132 HydrophobicContact CE3-CB 3.61Å; W118-F132 HydrophobicContact CZ3-CB 3.94Å; W118-P134 HydrophobicContact CE3-CB 4.33Å; W118-P134 HydrophobicContact CZ3-CB 4.06Å
119	W	93.4	Very high	73.3	Confident	30 Å²	30	61.6 Å²	61.6	11%	0.114	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	156	169.3	-61.3	-13.9	0	0	0	109	F50 V52 I83 V86 F132 I133 P136 Y226	F50-W119 HydrophobicContact CE2-CE3 4.48Å; F50-W119 HydrophobicContact CE2-CH2 4.07Å; F50-W119 AromaticContact CE2-CZ3 3.94Å; F50-W119 HydrophobicContact CE2-CZ3 3.94Å; F50-W119 HydrophobicContact CZ-CE3 4.3Å; F50-W119 HydrophobicContact CZ-CH2 4.05Å; F50-W119 HydrophobicContact CZ-CZ2 4.29Å; F50-W119 HydrophobicContact CZ-CZ3 4.08Å; V52-W119 HydrophobicContact CG1-CZ3 4.4Å; I83-W119 HydrophobicContact CD1-CE3 3.77Å; I83-W119 HydrophobicContact CD1-CZ3 4.42Å; I83-W119 HydrophobicContact CG1-CE3 3.94Å; I83-W119 HydrophobicContact CG1-CZ3 4.32Å; I83-W119 HydrophobicContact CG2-CB 4.19Å; V86-W119 HydrophobicContact CG2-CD2 4.25Å; V86-W119 HydrophobicContact CG2-CG 4.03Å; W119-F132 WeakPolarHBondContact O-CA 3.43Å; W119-I133 HydrophobicContact CB-CB 4.39Å; W119-I133 HydrophobicContact CE3-CG2 4.39Å; W119-I133 PolarHBondContact N-O 3.45Å; W119-I133 PolarHBondContact O-N 2.91Å; W119-P136 HydrophobicContact CH2-CG 3.94Å; W119-P136 HydrophobicContact CZ2-CG 4Å; W119-Y226 HydrophobicContact CE3-CD2 4.46Å; W119-Y226 HydrophobicContact CE3-CE2 4.19Å; W119-Y226 AromaticContact CH2-CD2 3.82Å; W119-Y226 HydrophobicContact CH2-CD2 3.82Å; W119-Y226 HydrophobicContact CH2-CE2 4.24Å; W119-Y226 AromaticContact CZ3-CD2 3.53Å; W119-Y226 HydrophobicContact CZ3-CD2 3.53Å; W119-Y226 AromaticContact CZ3-CE2 3.7Å; W119-Y226 HydrophobicContact CZ3-CE2 3.7Å; W119-Y226 HydrophobicContact CZ3-CG 4.48Å
120	I	92.3	Very high	76.2	Confident	1 Å²	1	58 Å²	58	1%	0.005	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	125.8	171.5	-60.5	173.6	0	0	0	108.8	Q39 L40 A43 K84 E85 F132	Q39-I120 HydrophobicContact CB-CD1 4.01Å; L40-I120 HydrophobicContact CD1-CG2 3.59Å; A43-I120 HydrophobicContact CB-CB 4.46Å; A43-I120 HydrophobicContact CB-CG2 3.55Å; K84-I120 PolarHBondContact N-O 2.82Å; E85-I120 HydrophobicContact CB-CB 4.37Å; E85-I120 PolarHBondContact N-O 3.28Å; E85-I120 PolarHBondContact O-N 3.41Å; I120-F132 HydrophobicContact CD1-CE1 4.26Å; I120-F132 HydrophobicContact CG1-CD1 4.16Å; I120-F132 HydrophobicContact CG1-CE1 3.99Å
121	G	95.1	Very high	79.2	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.8	-168.6	-176.5	0	0	0	0	0	113	H82 L130 G131	H82-G121 CarbonylContact O-C 3.59Å; H82-G121 WeakPolarHBondContact O-CA 3.49Å; G121-L130 VanDerWaalsContact C-CD2 3.49Å; G121-L130 CarbonylContact O-C 3.53Å; G121-L130 VanDerWaalsContact O-CA 3.3Å; G121-L130 WeakPolarHBondContact O-CA 3.37Å; G121-G131 PolarHBondContact N-O 3.17Å; G121-G131 VanDerWaalsContact N-O 3.07Å; G121-G131 PolarHBondContact O-N 2.88Å; G121-G131 VanDerWaalsContact O-O 3.08Å
122	R	96.5	Very high	82.2	Confident	5 Å²	5	49.3 Å²	49.3	2%	0.019	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	155.7	-179.7	57.4	-174.3	-61.2	-84.8	-1.9	112.6	L81 H82 K125 C128 E129 L130 A476	L81-R122 CarbonylContact C-O 3.59Å; L81-R122 VanDerWaalsContact CA-O 3.3Å; L81-R122 WeakPolarHBondContact CA-O 3.38Å; H82-R122 HydrophobicContact CB-CG 4.1Å; H82-R122 PolarHBondContact N-O 3.12Å; H82-R122 PolarHBondContact O-N 3.37Å; R122-K125 PolarHBondContact NH2-O 3.26Å; R122-C128 VanDerWaalsContact CZ-O 3.3Å; R122-C128 PolarHBondContact NE-O 3.07Å; R122-C128 PolarHBondContact NH2-O 3.32Å; R122-E129 WeakPolarHBondContact CB-O 3.39Å; R122-L130 HydrophobicContact CB-CD2 3.95Å; R122-L130 HydrophobicContact CG-CD2 3.98Å; R122-A476 PolarHBondContact NH1-O 3.1Å
123	L	97.8	Very high	85.1	Confident	22 Å²	22	44.8 Å²	44.8	12%	0.115	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	135.1	161.5	-175.8	65.4	0	0	0	110.1	V73 D79 L81 K125 C128	V73-L123 HydrophobicContact CG1-CB 4.28Å; D79-L123 HydrophobicContact CB-CD1 3.76Å; D79-L123 WeakPolarHBondContact OD2-CD1 3.35Å; L81-L123 HydrophobicContact CD2-CB 4.37Å; L81-L123 HydrophobicContact CD2-CD1 3.95Å; L123-K125 HydrophobicContact CD2-CB 4.03Å; L123-K125 HydrophobicContact CD2-CD 4.04Å; L123-K125 HydrophobicContact CG-CB 3.98Å; L123-K125 PolarHBondContact O-N 3.49Å; L123-C128 HydrophobicContact CB-CB 4.2Å
124	V	97.8	Very high	87.9	Confident	23 Å²	23	36.2 Å²	36.2	14%	0.139	21%	0.205	C	C	.	.	S	Bend	trans	-80.2	71.8	177	-175.1	0	0	0	0	109.4	F80 H82 Y473 A476 T477	F80-V124 HydrophobicContact CB-CB 4Å; F80-V124 HydrophobicContact CB-CG2 4.07Å; F80-V124 WeakPolarHBondContact O-CB 3.43Å; F80-V124 WeakPolarHBondContact O-CG2 3.4Å; F80-V124 PolarHBondContact O-N 3.04Å; H82-V124 HydrophobicContact CB-CG2 4.2Å; H82-V124 WeakPolarHBondContact CD2-CG2 3.41Å; V124-Y473 HydrophobicContact CG1-CE2 4.23Å; V124-A476 HydrophobicContact CG1-CB 4.5Å; V124-T477 HydrophobicContact CG1-CG2 3.51Å
125	K	96.3	Very high	90.2	Very high	128 Å²	128	34.8 Å²	34.8	56%	0.557	20%	0.2	S	C	*	.	S	Bend	trans	-144.6	148.8	-180	-176.8	173.6	-179.5	176.7	0	109	R122 L123 C128	R122-K125 PolarHBondContact NH2-O 3.26Å; L123-K125 HydrophobicContact CD2-CB 4.03Å; L123-K125 HydrophobicContact CD2-CD 4.04Å; L123-K125 HydrophobicContact CG-CB 3.98Å; L123-K125 PolarHBondContact O-N 3.49Å; K125-C128 HydrophobicContact CB-CB 4.48Å; K125-C128 PolarHBondContact O-N 3.3Å
126	E	92.9	Very high	92	Very high	104 Å²	104	35.5 Å²	35.5	49%	0.486	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	145.1	176.1	-170.4	167.2	-138.4	0	0	110.9	C128 R475	E126-C128 PolarHBondContact O-N 3.2Å; E126-C128 VanDerWaalsContact O-N 3.09Å; E126-R475 WeakPolarHBondContact OE1-CB 3.48Å; E126-R475 WeakPolarHBondContact OE1-CD 3.05Å; E126-R475 IonicContact OE1-CZ 3.14Å; E126-R475 IonicContact OE1-NE 2.76Å; E126-R475 IonicContact OE1-NH1 3.59Å; E126-R475 PolarHBondContact OE1-NH1 3.12Å; E126-R475 IonicContact OE2-CZ 2.67Å; E126-R475 IonicContact OE2-NH1 3.71Å; E126-R475 PolarHBondContact OE2-NH1 3.44Å
127	G	92.4	Very high	92.9	Very high	76 Å²	76	34.1 Å²	34.1	78%	0.784	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.9	-18.9	-177.3	0	0	0	0	0	116.4	E129	G127-E129 PolarHBondContact O-N 3.46Å
128	C	93.9	Very high	93.2	Very high	39 Å²	39	32.8 Å²	32.8	26%	0.264	19%	0.189	S	C	.	.			trans	-73.5	121.4	-179	-66.5	0	0	0	0	112.7	R122 L123 K125 E126	R122-C128 VanDerWaalsContact CZ-O 3.3Å; R122-C128 PolarHBondContact NE-O 3.07Å; R122-C128 PolarHBondContact NH2-O 3.32Å; L123-C128 HydrophobicContact CB-CB 4.2Å; K125-C128 HydrophobicContact CB-CB 4.48Å; K125-C128 PolarHBondContact O-N 3.3Å; E126-C128 PolarHBondContact O-N 3.2Å; E126-C128 VanDerWaalsContact O-N 3.09Å
129	E	92.9	Very high	93.2	Very high	112 Å²	112	32.5 Å²	32.5	52%	0.523	19%	0.188	S	C	.	.			trans	-77.2	175.9	176.5	-62	-159.6	136.9	0	0	113.4	R71 R122 G127	R71-E129 IonicContact CZ-OE2 2.9Å; R71-E129 VanDerWaalsContact CZ-OE2 3.23Å; R71-E129 IonicContact NH1-OE2 2.83Å; R71-E129 PolarHBondContact NH1-OE2 2.99Å; R71-E129 IonicContact NH2-OE2 2.98Å; R71-E129 PolarHBondContact NH2-OE2 2.9Å; R122-E129 WeakPolarHBondContact CB-O 3.39Å; G127-E129 PolarHBondContact O-N 3.46Å
130	L	93.8	Very high	92.8	Very high	14 Å²	14	35.2 Å²	35.2	7%	0.073	20%	0.202	C	C	.	.			trans	-71.9	143.4	164.3	-67.1	177.1	0	0	0	111.3	L40 A43 K44 R71 K84 G121 R122	L40-L130 HydrophobicContact CD1-CB 3.73Å; A43-L130 VanDerWaalsContact C-CD1 3.47Å; A43-L130 HydrophobicContact CB-CD1 3.93Å; K44-L130 HydrophobicContact CB-CD1 4.35Å; K44-L130 HydrophobicContact CG-CD1 3.85Å; R71-L130 PolarHBondContact NH2-O 2.76Å; K84-L130 HydrophobicContact CG-CD1 4.07Å; K84-L130 HydrophobicContact CG-CD2 3.54Å; G121-L130 VanDerWaalsContact C-CD2 3.49Å; G121-L130 CarbonylContact O-C 3.53Å; G121-L130 VanDerWaalsContact O-CA 3.3Å; G121-L130 WeakPolarHBondContact O-CA 3.37Å; R122-L130 HydrophobicContact CB-CD2 3.95Å; R122-L130 HydrophobicContact CG-CD2 3.98Å
131	G	94.6	Very high	92.5	Very high	2 Å²	2	37.9 Å²	37.9	2%	0.021	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	-167.9	168.6	0	0	0	0	0	111.6	R71 G121	R71-G131 CarbonylContact O-C 3.6Å; R71-G131 WeakPolarHBondContact O-CA 3.47Å; G121-G131 PolarHBondContact N-O 3.17Å; G121-G131 VanDerWaalsContact N-O 3.07Å; G121-G131 PolarHBondContact O-N 2.88Å; G121-G131 VanDerWaalsContact O-O 3.08Å
132	F	94.7	Very high	92	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.009	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	130.4	175.3	-62	-79.9	0	0	0	110.7	A36 L40 V66 P67 V68 R71 S72 V73 W118 W119 I120	A36-F132 HydrophobicContact CB-CZ 3.94Å; L40-F132 HydrophobicContact CB-CZ 4.42Å; L40-F132 HydrophobicContact CD2-CE2 4.14Å; V66-F132 HydrophobicContact CG2-CB 3.83Å; V66-F132 HydrophobicContact CG2-CD2 3.87Å; V66-F132 HydrophobicContact CG2-CG 4.11Å; P67-F132 HydrophobicContact CB-CD1 4.44Å; P67-F132 HydrophobicContact CB-CE1 4.15Å; P67-F132 HydrophobicContact CB-CE2 4.45Å; P67-F132 HydrophobicContact CB-CZ 4.17Å; P67-F132 HydrophobicContact CG-CD1 4.06Å; P67-F132 HydrophobicContact CG-CE1 4.21Å; P67-F132 HydrophobicContact CG-CG 4.38Å; V68-F132 HydrophobicContact CB-CE2 3.92Å; V68-F132 HydrophobicContact CG2-CE2 3.66Å; V68-F132 HydrophobicContact CG2-CZ 4.08Å; R71-F132 HydrophobicContact CB-CD2 4.06Å; R71-F132 HydrophobicContact CB-CE2 4.22Å; R71-F132 PolarHBondContact O-N 2.99Å; S72-F132 CarbonylContact C-O 3.41Å; S72-F132 WeakPolarHBondContact CA-O 3.36Å; S72-F132 PolarHBondContact OG-O 3.25Å; V73-F132 PolarHBondContact N-O 2.94Å; W118-F132 HydrophobicContact CB-CD1 4.49Å; W118-F132 HydrophobicContact CD2-CB 4.27Å; W118-F132 HydrophobicContact CE3-CB 3.61Å; W118-F132 HydrophobicContact CZ3-CB 3.94Å; W119-F132 WeakPolarHBondContact O-CA 3.43Å; I120-F132 HydrophobicContact CD1-CE1 4.26Å; I120-F132 HydrophobicContact CG1-CD1 4.16Å; I120-F132 HydrophobicContact CG1-CE1 3.99Å
133	I	94.6	Very high	91.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	127.4	177.4	-69.3	163.9	0	0	0	107.2	V73 F75 L81 I83 W119 S135 Y226	V73-I133 HydrophobicContact CB-CG1 3.84Å; V73-I133 HydrophobicContact CG1-CG1 4.4Å; V73-I133 HydrophobicContact CG2-CG1 3.99Å; F75-I133 HydrophobicContact CE1-CG2 4.33Å; L81-I133 HydrophobicContact CB-CD1 4.18Å; L81-I133 HydrophobicContact CD1-CD1 4.12Å; L81-I133 HydrophobicContact CD1-CG1 4.47Å; L81-I133 HydrophobicContact CD1-CG2 3.89Å; I83-I133 HydrophobicContact CD1-CD1 3.58Å; I83-I133 HydrophobicContact CD1-CG2 4.48Å; W119-I133 HydrophobicContact CB-CB 4.39Å; W119-I133 HydrophobicContact CE3-CG2 4.39Å; W119-I133 PolarHBondContact N-O 3.45Å; W119-I133 PolarHBondContact O-N 2.91Å; I133-S135 PolarHBondContact O-N 2.85Å; I133-Y226 HydrophobicContact CG2-CE2 4.47Å; I133-Y226 VanDerWaalsContact CG2-OH 3.25Å; I133-Y226 WeakPolarHBondContact CG2-OH 3.46Å
134	P	94	Very high	90.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	135.9	179.9	29.5	-36.8	0	0	0	110.4	Y58 F75 W118 R138 L139 Y226	Y58-P134 HydrophobicContact CD1-CG 3.94Å; Y58-P134 HydrophobicContact CD2-CG 3.98Å; Y58-P134 HydrophobicContact CE1-CG 3.86Å; Y58-P134 HydrophobicContact CE2-CG 3.89Å; Y58-P134 HydrophobicContact CG-CG 4.01Å; F75-P134 HydrophobicContact CE1-CG 4.41Å; F75-P134 HydrophobicContact CZ-CG 4.4Å; W118-P134 HydrophobicContact CE3-CB 4.33Å; W118-P134 HydrophobicContact CZ3-CB 4.06Å; P134-R138 HydrophobicContact CB-CB 4.08Å; P134-R138 HydrophobicContact CB-CG 4.06Å; P134-L139 HydrophobicContact CB-CD2 4.06Å; P134-L139 HydrophobicContact CB-CG 4.02Å; P134-L139 HydrophobicContact CG-CD1 4.24Å; P134-L139 HydrophobicContact CG-CD2 3.65Å; P134-L139 HydrophobicContact CG-CG 3.88Å; P134-Y226 WeakPolarHBondContact O-CE2 3.38Å; P134-Y226 PolarHBondContact O-OH 3.1Å
135	S	91.3	Very high	88.9	Confident	5 Å²	5	49.3 Å²	49.3	4%	0.035	28%	0.283	C	S	.	.			trans	-70.8	163.9	177	83.5	0	0	0	0	111.2	S116 D117 I133 A137 R138 L139	S116-S135 VanDerWaalsContact O-CB 3.23Å; S116-S135 WeakPolarHBondContact O-CB 3.5Å; S116-S135 PolarHBondContact O-OG 3.3Å; D117-S135 WeakPolarHBondContact CA-OG 3.39Å; D117-S135 PolarHBondContact O-N 3.26Å; I133-S135 PolarHBondContact O-N 2.85Å; S135-A137 PolarHBondContact O-N 2.83Å; S135-A137 PolarHBondContact OG-N 3.42Å; S135-R138 PolarHBondContact O-N 3.47Å; S135-R138 PolarHBondContact OG-N 2.93Å; S135-L139 PolarHBondContact O-N 2.85Å
136	P	88.3	Confident	87.1	Confident	43 Å²	43	44.5 Å²	44.5	28%	0.279	27%	0.267	S	S	.	.	H	α-helix	trans	-51.2	-40.4	174.3	-29	35.4	0	0	0	113.3	W119 L139 E140 Y226	W119-P136 HydrophobicContact CH2-CG 3.94Å; W119-P136 HydrophobicContact CZ2-CG 4Å; P136-L139 PolarHBondContact O-N 3.25Å; P136-E140 WeakPolarHBondContact O-CB 3.24Å; P136-E140 WeakPolarHBondContact O-CG 3.37Å; P136-E140 PolarHBondContact O-N 2.88Å; P136-Y226 HydrophobicContact CG-CD2 3.95Å; P136-Y226 HydrophobicContact CG-CE2 4.42Å
137	A	86.2	Confident	85.2	Confident	54 Å²	54	48.4 Å²	48.4	45%	0.446	29%	0.285	S	S	.	.	H	α-helix	trans	-65.2	-39.5	177.7	0	0	0	0	0	112.2	S135 E140 A141	S135-A137 PolarHBondContact O-N 2.83Å; S135-A137 PolarHBondContact OG-N 3.42Å; A137-E140 PolarHBondContact O-N 2.79Å; A137-A141 WeakPolarHBondContact O-CB 3.34Å; A137-A141 PolarHBondContact O-N 3.41Å
138	R	88.8	Confident	83.2	Confident	22 Å²	22	49.3 Å²	49.3	8%	0.083	28%	0.279	C	S	.	.	H	α-helix	trans	-64.7	-45.7	174.3	-170.7	170.2	172.3	66.8	11.5	111.5	D63 E65 D117 P134 S135 E140 A141 M142	D63-R138 IonicContact OD1-NH2 2.77Å; D63-R138 PolarHBondContact OD1-NH2 2.85Å; D63-R138 IonicContact OD2-CZ 2.89Å; D63-R138 IonicContact OD2-NE 3.88Å; D63-R138 PolarHBondContact OD2-NE 3.03Å; D63-R138 IonicContact OD2-NH2 2.72Å; D63-R138 PolarHBondContact OD2-NH2 3.44Å; E65-R138 VanDerWaalsContact CB-NH2 3.3Å; E65-R138 IonicContact OE2-CZ 2.76Å; E65-R138 IonicContact OE2-NH1 3.2Å; E65-R138 PolarHBondContact OE2-NH1 3.35Å; E65-R138 IonicContact OE2-NH2 2.76Å; E65-R138 PolarHBondContact OE2-NH2 3.13Å; D117-R138 HydrophobicContact CB-CB 3.92Å; D117-R138 HydrophobicContact CB-CG 4.17Å; D117-R138 WeakPolarHBondContact O-CB 3.4Å; D117-R138 WeakPolarHBondContact O-CD 3.47Å; P134-R138 HydrophobicContact CB-CB 4.08Å; P134-R138 HydrophobicContact CB-CG 4.06Å; S135-R138 PolarHBondContact O-N 3.47Å; S135-R138 PolarHBondContact OG-N 2.93Å; R138-E140 VanDerWaalsContact C-N 3.28Å; R138-E140 PolarHBondContact O-N 3.36Å; R138-A141 PolarHBondContact O-N 2.87Å; R138-M142 HydrophobicContact CG-CE 4.03Å; R138-M142 HydrophobicContact CG-SD 4.24Å; R138-M142 VanDerWaalsContact NH2-CE 3.28Å; R138-M142 WeakPolarHBondContact O-CB 3.29Å; R138-M142 VanDerWaalsContact O-CG 3.27Å; R138-M142 WeakPolarHBondContact O-CG 3.39Å; R138-M142 PolarHBondContact O-N 3.13Å
139	L	89.3	Confident	81.3	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-65.2	-29.6	176.7	-70.6	176.4	0	0	0	112.9	V56 Y58 F75 P134 S135 P136 M142 K143 A225 Y226	V56-L139 HydrophobicContact CG2-CD1 4.16Å; Y58-L139 HydrophobicContact CD2-CD2 4.01Å; Y58-L139 HydrophobicContact CG-CD2 4.39Å; F75-L139 HydrophobicContact CZ-CD1 4.39Å; P134-L139 HydrophobicContact CB-CD2 4.06Å; P134-L139 HydrophobicContact CB-CG 4.02Å; P134-L139 HydrophobicContact CG-CD1 4.24Å; P134-L139 HydrophobicContact CG-CD2 3.65Å; P134-L139 HydrophobicContact CG-CG 3.88Å; S135-L139 PolarHBondContact O-N 2.85Å; P136-L139 PolarHBondContact O-N 3.25Å; L139-M142 HydrophobicContact CD2-SD 3.95Å; L139-K143 WeakPolarHBondContact O-CD 3.42Å; L139-K143 WeakPolarHBondContact O-CG 3.38Å; L139-K143 PolarHBondContact O-N 3.14Å; L139-K143 VanDerWaalsContact O-N 3.15Å; L139-A225 HydrophobicContact CB-CB 4.31Å; L139-A225 HydrophobicContact CD1-CB 3.64Å; L139-Y226 HydrophobicContact CD1-CE1 4.29Å; L139-Y226 HydrophobicContact CD1-CE2 4.11Å
140	E	85.6	Confident	79.7	Confident	87 Å²	87	51.1 Å²	51.1	41%	0.407	29%	0.292	S	S	.	.	H	α-helix	trans	-74.4	-43.8	173.3	-76.4	171.7	-166.7	0	0	111.8	P136 A137 R138 M142 K143 M144	P136-E140 WeakPolarHBondContact O-CB 3.24Å; P136-E140 WeakPolarHBondContact O-CG 3.37Å; P136-E140 PolarHBondContact O-N 2.88Å; A137-E140 PolarHBondContact O-N 2.79Å; R138-E140 VanDerWaalsContact C-N 3.28Å; R138-E140 PolarHBondContact O-N 3.36Å; E140-M142 VanDerWaalsContact C-N 3.34Å; E140-M142 PolarHBondContact O-N 2.84Å; E140-K143 PolarHBondContact O-N 2.74Å; E140-K143 VanDerWaalsContact O-N 3.15Å; E140-M144 WeakPolarHBondContact O-CG 3.49Å; E140-M144 PolarHBondContact O-N 3.03Å; E140-M144 VanDerWaalsContact O-N 3.11Å
141	A	85.7	Confident	78.2	Confident	58 Å²	58	58.8 Å²	58.8	48%	0.479	33%	0.325	S	S	.	.	H	α-helix	trans	-59	-43.6	172.3	0	0	0	0	0	112	A137 R138 K143 M144 S145	A137-A141 WeakPolarHBondContact O-CB 3.34Å; A137-A141 PolarHBondContact O-N 3.41Å; R138-A141 PolarHBondContact O-N 2.87Å; A141-K143 VanDerWaalsContact C-N 3.34Å; A141-K143 PolarHBondContact O-N 2.64Å; A141-M144 PolarHBondContact O-N 3.13Å; A141-S145 PolarHBondContact O-N 3.45Å; A141-S145 PolarHBondContact O-OG 3.22Å
142	M	83.7	Confident	76.6	Confident	10 Å²	10	59.2 Å²	59.2	5%	0.049	33%	0.326	C	S	.	.	H	α-helix	trans	-59.6	-38.5	173.2	-76.2	168.5	164.6	0	0	113.2	Y58 D63 R138 L139 E140 M144 S145 A146 L152 F153	Y58-M142 HydrophobicContact CD2-SD 4.45Å; Y58-M142 HydrophobicContact CE2-CE 3.92Å; Y58-M142 HydrophobicContact CE2-SD 4.23Å; D63-M142 WeakPolarHBondContact OD2-CE 3.38Å; R138-M142 HydrophobicContact CG-CE 4.03Å; R138-M142 HydrophobicContact CG-SD 4.24Å; R138-M142 VanDerWaalsContact NH2-CE 3.28Å; R138-M142 WeakPolarHBondContact O-CB 3.29Å; R138-M142 VanDerWaalsContact O-CG 3.27Å; R138-M142 WeakPolarHBondContact O-CG 3.39Å; R138-M142 PolarHBondContact O-N 3.13Å; L139-M142 HydrophobicContact CD2-SD 3.95Å; E140-M142 VanDerWaalsContact C-N 3.34Å; E140-M142 PolarHBondContact O-N 2.84Å; M142-M144 VanDerWaalsContact C-N 3.33Å; M142-S145 WeakPolarHBondContact CA-OG 3.35Å; M142-S145 CarbonylContact O-C 3.46Å; M142-S145 PolarHBondContact O-N 3.48Å; M142-S145 PolarHBondContact O-OG 3.44Å; M142-A146 WeakPolarHBondContact O-CA 3.41Å; M142-A146 WeakPolarHBondContact O-CB 3.22Å; M142-A146 PolarHBondContact O-N 3.31Å; M142-L152 HydrophobicContact CE-CD1 4.42Å; M142-F153 HydrophobicContact CB-CE2 4.27Å; M142-F153 HydrophobicContact CB-CZ 4.06Å
143	K	81.2	Confident	74.8	Confident	76 Å²	76	61.3 Å²	61.3	33%	0.33	34%	0.335	S	S	.	.	H	α-helix	trans	-67.5	-35	176.3	-74.5	163.8	-169.2	172.2	0	111.9	L139 E140 A141 F153	L139-K143 WeakPolarHBondContact O-CD 3.42Å; L139-K143 WeakPolarHBondContact O-CG 3.38Å; L139-K143 PolarHBondContact O-N 3.14Å; L139-K143 VanDerWaalsContact O-N 3.15Å; E140-K143 PolarHBondContact O-N 2.74Å; E140-K143 VanDerWaalsContact O-N 3.15Å; A141-K143 VanDerWaalsContact C-N 3.34Å; A141-K143 PolarHBondContact O-N 2.64Å; K143-F153 HydrophobicContact CG-CE1 4.29Å; K143-F153 HydrophobicContact CG-CE2 3.99Å; K143-F153 HydrophobicContact CG-CZ 3.61Å
144	M	75.8	Confident	72.9	Confident	148 Å²	148	67.6 Å²	67.6	73%	0.729	37%	0.366	S	S	*	.	H	α-helix	trans	-69.3	-43.3	175	-62.8	-179.5	-167.9	0	0	111.1	E140 A141 M142 H147	E140-M144 WeakPolarHBondContact O-CG 3.49Å; E140-M144 PolarHBondContact O-N 3.03Å; E140-M144 VanDerWaalsContact O-N 3.11Å; A141-M144 PolarHBondContact O-N 3.13Å; M142-M144 VanDerWaalsContact C-N 3.33Å; M144-H147 PolarHBondContact O-ND1 3.17Å
145	S	71.2	Confident	70.6	Confident	55 Å²	55	75.9 Å²	75.9	39%	0.385	41%	0.405	S	S	.	.	H	α-helix	trans	-80.5	-6	177.8	66.7	0	0	0	0	115	A141 M142 H147 S148 K149	A141-S145 PolarHBondContact O-N 3.45Å; A141-S145 PolarHBondContact O-OG 3.22Å; M142-S145 WeakPolarHBondContact CA-OG 3.35Å; M142-S145 CarbonylContact O-C 3.46Å; M142-S145 PolarHBondContact O-N 3.48Å; M142-S145 PolarHBondContact O-OG 3.44Å; S145-H147 PolarHBondContact O-N 2.8Å; S145-S148 PolarHBondContact O-N 2.91Å; S145-S148 PolarHBondContact O-OG 2.87Å; S145-S148 VanDerWaalsContact O-OG 3.05Å; S145-K149 PolarHBondContact O-N 3.18Å
146	A	58.9	Low	68.1	Low	28 Å²	28	83.5 Å²	83.5	23%	0.231	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-22.2	-178.8	0	0	0	0	0	114.1	M142 S148 K149 F153	M142-A146 WeakPolarHBondContact O-CA 3.41Å; M142-A146 WeakPolarHBondContact O-CB 3.22Å; M142-A146 PolarHBondContact O-N 3.31Å; A146-S148 PolarHBondContact O-N 3.44Å; A146-K149 CarbonylContact O-C 3.6Å; A146-K149 PolarHBondContact O-N 3.5Å; A146-F153 HydrophobicContact CB-CD2 4.4Å; A146-F153 HydrophobicContact CB-CE2 4.32Å
147	H	52.3	Low	65.9	Low	186 Å²	186	88.2 Å²	88.2	86%	0.861	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-17.2	170.4	-63.7	95.7	0	0	0	114.2	M144 S145	M144-H147 PolarHBondContact O-ND1 3.17Å; S145-H147 PolarHBondContact O-N 2.8Å
148	S	50.6	Low	63.5	Low	94 Å²	94	91.7 Å²	91.7	66%	0.657	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.7	-22	173.5	68.4	0	0	0	0	114.8	S145 A146	S145-S148 PolarHBondContact O-N 2.91Å; S145-S148 PolarHBondContact O-OG 2.87Å; S145-S148 VanDerWaalsContact O-OG 3.05Å; A146-S148 PolarHBondContact O-N 3.44Å
149	K	54.6	Low	61.1	Low	84 Å²	84	96.6 Å²	96.6	37%	0.365	51%	0.511	S	S	.	.			trans	-127.3	77.2	177.9	-69.1	-173.5	179.7	-178.5	0	111.9	E65 S145 A146 K151	E65-K149 IonicContact OE1-NZ 2.86Å; E65-K149 PolarHBondContact OE1-NZ 2.86Å; S145-K149 PolarHBondContact O-N 3.18Å; A146-K149 CarbonylContact O-C 3.6Å; A146-K149 PolarHBondContact O-N 3.5Å; K149-K151 PolarHBondContact O-N 2.9Å; K149-K151 VanDerWaalsContact O-N 3.14Å
150	P	58.7	Low	58.4	Low	106 Å²	106	104 Å²	104	69%	0.688	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.2	-2.3	-174.5	29.1	-36.5	0	0	0	115.8
151	K	62.7	Low	55.9	Low	175 Å²	175	103.4 Å²	103.4	76%	0.761	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	-20.7	-172.5	-69	-175.5	176.4	-178.7	0	115.4	K149 F153	K149-K151 PolarHBondContact O-N 2.9Å; K149-K151 VanDerWaalsContact O-N 3.14Å; K151-F153 PolarHBondContact O-N 3.18Å
152	L	60.4	Low	53.4	Low	11 Å²	11	106 Å²	106	6%	0.058	58%	0.576	C	S	.	*	S	Bend	trans	-75.5	-19.5	-170.6	-77.6	159.7	0	0	0	114.8	Y58 V62 D63 M142	Y58-L152 HydrophobicContact CE2-CD2 4.24Å; V62-L152 HydrophobicContact CG2-CD2 3.92Å; V62-L152 HydrophobicContact CG2-CG 4.43Å; D63-L152 HydrophobicContact CB-CD2 4.02Å; M142-L152 HydrophobicContact CE-CD1 4.42Å
153	F	56.2	Low	51.3	Low	45 Å²	45	111 Å²	111	20%	0.197	61%	0.612	C	S	.	*	S	Bend	trans	-111.7	102.5	-177.6	-65.9	-68.3	0	0	0	111	M142 K143 A146 K151 H155	M142-F153 HydrophobicContact CB-CE2 4.27Å; M142-F153 HydrophobicContact CB-CZ 4.06Å; K143-F153 HydrophobicContact CG-CE1 4.29Å; K143-F153 HydrophobicContact CG-CE2 3.99Å; K143-F153 HydrophobicContact CG-CZ 3.61Å; A146-F153 HydrophobicContact CB-CD2 4.4Å; A146-F153 HydrophobicContact CB-CE2 4.32Å; K151-F153 PolarHBondContact O-N 3.18Å; F153-H155 PolarHBondContact O-N 2.91Å
154	M	54.7	Low	49.2	Very low	132 Å²	132	115.7 Å²	115.7	65%	0.65	64%	0.635	S	S	*	*			trans	-65.2	103.6	176.3	-67.1	-176.2	73.8	0	0	111.4	A57 H156	A57-M154 HydrophobicContact CB-CB 4.47Å; M154-H156 PolarHBondContact O-N 3.36Å
155	H	47.1	Very low	47.2	Very low	174 Å²	174	115.9 Å²	115.9	81%	0.806	64%	0.639	S	S	*	*			trans	-68.1	111.3	164.2	-86.1	-93.4	0	0	0	109.6	F153 I157	F153-H155 PolarHBondContact O-N 2.91Å; H155-I157 VanDerWaalsContact C-N 3.27Å; H155-I157 PolarHBondContact O-N 2.98Å
156	H	39.2	Very low	45.5	Very low	165 Å²	165	120.7 Å²	120.7	76%	0.764	66%	0.659	S	S	*	*			trans	-75.4	76.4	175.7	53.3	-88.6	0	0	0	111.1	M154	M154-H156 PolarHBondContact O-N 3.36Å
157	I	41	Very low	44.2	Very low	143 Å²	143	128.5 Å²	128.5	73%	0.733	69%	0.691	S	S	*	*			trans	-84.9	109.3	158.2	-58.9	-179.8	0	0	0	106.3	H155 P159	H155-I157 VanDerWaalsContact C-N 3.27Å; H155-I157 PolarHBondContact O-N 2.98Å; I157-P159 VanDerWaalsContact O-CD 3.3Å; I157-P159 WeakPolarHBondContact O-CD 3.32Å
158	T	35.4	Very low	43.4	Very low	126 Å²	126	125.2 Å²	125.2	77%	0.773	68%	0.684	S	S	*	*			trans	-59.7	117.3	172.4	44.7	0	0	0	0	109.6	N160	T158-N160 PolarHBondContact O-N 3.33Å; T158-N160 VanDerWaalsContact O-N 3.12Å
159	P	38.6	Very low	42.9	Very low	125 Å²	125	129.5 Å²	129.5	81%	0.812	70%	0.696	S	S	*	*			trans	-72.7	107.7	175	29.3	-31.7	0	0	0	108.8	I157	I157-P159 VanDerWaalsContact O-CD 3.3Å; I157-P159 WeakPolarHBondContact O-CD 3.32Å
160	N	32	Very low	42	Very low	155 Å²	155	128.8 Å²	128.8	83%	0.829	71%	0.713	S	S	*	*			trans	-65.3	148.9	162.6	-174	39.9	0	0	0	109.1	T158	T158-N160 PolarHBondContact O-N 3.33Å; T158-N160 VanDerWaalsContact O-N 3.12Å
161	A	34.1	Very low	41.1	Very low	76 Å²	76	131.2 Å²	131.2	63%	0.628	73%	0.726	S	S	*	*	S	Bend	trans	-73.4	170.3	-175.6	0	0	0	0	0	113.4
162	S	33.6	Very low	40	Very low	113 Å²	113	125.8 Å²	125.8	79%	0.79	72%	0.72	S	S	*	*			trans	84.1	161.3	179.9	78.1	0	0	0	0	116.6
163	S	39.2	Very low	39	Very low	114 Å²	114	134.3 Å²	134.3	80%	0.797	76%	0.759	S	S	*	*			trans	69.6	92.2	-155.9	-60.6	0	0	0	0	112.6
164	Q	37.1	Very low	38	Very low	175 Å²	175	137.6 Å²	137.6	82%	0.818	79%	0.788	S	S	*	*			cis	56.1	123.8	43.7	-73.8	-168.2	-5.3	0	0	115.2
165	N	33	Very low	37.5	Very low	152 Å²	152	136 Å²	136	81%	0.813	79%	0.79	S	S	*	*			trans	66.4	108.8	167.8	-54.3	-21.6	0	0	0	118.3
166	L	36	Very low	37.2	Very low	155 Å²	155	133.7 Å²	133.7	81%	0.812	79%	0.788	S	S	*	*				-177.5	112.3	102.8	179.9	60.8	0	0	0	111.4
167	E	32.3	Very low	37.1	Very low	193 Å²	193	131.5 Å²	131.5	90%	0.902	79%	0.788	S	S	*	*			trans	-127	137.1	163.6	-71.4	-172.7	172	0	0	109.5
168	T	35.3	Very low	37	Very low	116 Å²	116	130 Å²	130	71%	0.712	79%	0.79	S	S	*	*			trans	-161.5	155.5	179.5	-67.2	0	0	0	0	108
169	M	40.7	Very low	37.4	Very low	184 Å²	184	130.4 Å²	130.4	91%	0.906	79%	0.793	S	S	*	*			trans	76.6	104.4	-163.9	-46.5	-70.4	-170.1	0	0	112.4
170	G	35.6	Very low	37.3	Very low	70 Å²	70	130.3 Å²	130.3	72%	0.722	79%	0.792	S	S	*	*			cis	118.8	85.8	-8.1	0	0	0	0	0	114.8
171	T	39.8	Very low	37.5	Very low	156 Å²	156	132.3 Å²	132.3	96%	0.957	80%	0.796	S	S	*	*			trans	-168.7	153.3	161.9	18.5	0	0	0	0	109.8
172	G	38	Very low	37.6	Very low	62 Å²	62	137.8 Å²	137.8	64%	0.639	81%	0.806	S	S	*	*			trans	112.7	57.9	153.1	0	0	0	0	0	121.6
173	H	40.8	Very low	37.8	Very low	189 Å²	189	143.6 Å²	143.6	88%	0.875	81%	0.812	S	S	*	*			trans	53.7	128.2	144	-52.2	-74.8	0	0	0	123.5
174	S	35.2	Very low	37.5	Very low	115 Å²	115	143.2 Å²	143.2	80%	0.804	81%	0.81	S	S	*	*			trans	48.1	132	132.9	-157.2	0	0	0	0	120.8
175	S	43.7	Very low	37.6	Very low	99 Å²	99	138.6 Å²	138.6	69%	0.692	81%	0.809	S	S	*	*			cis	-175	-175.1	-6.2	45	0	0	0	0	106.8
176	T	41.3	Very low	37.6	Very low	124 Å²	124	139 Å²	139	76%	0.761	81%	0.806	S	S	*	*			cis	-152.3	153.6	9	-34.3	0	0	0	0	108.1
177	P	35.9	Very low	37.9	Very low	120 Å²	120	142 Å²	142	78%	0.779	81%	0.813	S	S	*	*			trans	-108.6	134.5	-165.4	37	-29.9	0	0	0	117.7
178	S	38.7	Very low	38.1	Very low	111 Å²	111	136.5 Å²	136.5	78%	0.776	80%	0.8	S	S	*	*			trans	-169.7	152.7	162.7	17.4	0	0	0	0	109.5
179	T	45.1	Very low	38.1	Very low	135 Å²	135	137.5 Å²	137.5	83%	0.828	80%	0.801	S	S	*	*			cis	-158.6	155.4	-19.5	10.1	0	0	0	0	108
180	P	36.3	Very low	38.1	Very low	122 Å²	122	136.6 Å²	136.6	79%	0.792	80%	0.795	S	S	*	*			trans	-100.6	149.2	-169.6	37.3	-33.5	0	0	0	115.3
181	E	36.6	Very low	38	Very low	197 Å²	197	141.8 Å²	141.8	92%	0.921	80%	0.801	S	S	*	*			trans	-126.9	157.1	164.3	-71.6	-157.6	131.6	0	0	112.3
182	K	34.8	Very low	38.2	Very low	191 Å²	191	143.8 Å²	143.8	83%	0.83	80%	0.799	S	S	*	*			trans	-101.4	155.5	-178.6	-56.3	169.6	179	175.4	0	110.2
183	Y	37.6	Very low	37.9	Very low	235 Å²	235	148 Å²	148	92%	0.922	81%	0.807	S	S	*	*			trans	-139.2	155	135.4	-100.2	-75.9	0	0	0	110.7
184	S	34.1	Very low	38	Very low	106 Å²	106	143.8 Å²	143.8	74%	0.741	81%	0.805	S	S	*	*			trans	-111.3	166.5	-164.8	50.4	0	0	0	0	113.5
185	G	38.5	Very low	38.1	Very low	78 Å²	78	147.5 Å²	147.5	80%	0.804	81%	0.809	S	S	*	*			trans	-173	91.7	172.5	0	0	0	0	0	110.8
186	E	33.4	Very low	37.7	Very low	160 Å²	160	146.5 Å²	146.5	75%	0.748	81%	0.814	S	S	*	*			trans	-74.2	153.8	175.4	-65.5	126.1	101.2	0	0	112.3
187	F	41.8	Very low	37.3	Very low	218 Å²	218	151.9 Å²	151.9	96%	0.956	82%	0.821	S	S	*	*				-160.7	157.6	109	-101.9	-71.2	0	0	0	109.4
188	A	36.6	Very low	37.1	Very low	78 Å²	78	151.2 Å²	151.2	65%	0.645	82%	0.819	S	S	*	*			trans	-137.7	-171	-161.3	0	0	0	0	0	113.2
189	N	35.5	Very low	37.3	Very low	137 Å²	137	155.3 Å²	155.3	73%	0.733	82%	0.823	S	S	*	*			trans	81.4	144	172.2	-58	26.2	0	0	0	114.7
190	E	41.1	Very low	36.7	Very low	166 Å²	166	155.7 Å²	155.7	78%	0.776	82%	0.82	S	S	*	*			cis	-150.7	159.4	4.8	-131.9	153.1	-119.5	0	0	112
191	E	34.2	Very low	37	Very low	179 Å²	179	159.8 Å²	159.8	84%	0.836	83%	0.825	S	S	*	*			trans	-92.8	157.2	-179.9	-63.6	173.9	115.6	0	0	112.9
192	Q	42.2	Very low	36.9	Very low	198 Å²	198	155.6 Å²	155.6	93%	0.925	82%	0.816	S	S	*	*			trans	-156.6	130.3	145.1	-127.9	153	95.1	0	0	114
193	D	32.6	Very low	36.8	Very low	151 Å²	151	154.6 Å²	154.6	81%	0.807	82%	0.818	S	S	*	*			trans	-86.1	152.3	-177.2	-108.7	-44.4	0	0	0	113.8
194	A	42.3	Very low	36.6	Very low	99 Å²	99	151 Å²	151	82%	0.818	81%	0.811	S	S	*	*			trans	-157.6	122.7	153.1	0	0	0	0	0	112.4
195	Q	38.3	Very low	36.6	Very low	194 Å²	194	151 Å²	151	91%	0.907	81%	0.809	S	S	*	*			trans	-81.7	149.5	-172	-62.5	149.8	-16.1	0	0	113.6
196	G	34.2	Very low	36.2	Very low	77 Å²	77	153 Å²	153	79%	0.794	81%	0.81	S	S	*	*			trans	-138.5	6.4	-162.1	0	0	0	0	0	121.5
197	R	33.7	Very low	36.3	Very low	237 Å²	237	152.2 Å²	152.2	89%	0.894	81%	0.809	S	S	*	*			trans	66.7	107.2	164.8	-165.7	-176.6	-159.7	162.2	7.7	119.8
198	S	32.6	Very low	35.8	Very low	107 Å²	107	147.7 Å²	147.7	75%	0.748	80%	0.802	S	S	*	*			trans	-72.1	158.6	171	-43.9	0	0	0	0	115.4
199	K	42.7	Very low	35.8	Very low	196 Å²	196	149.5 Å²	149.5	85%	0.852	81%	0.81	S	S	*	*			trans	-141.2	132	150.2	-75	-168.4	178.4	-178.9	0	110.3
200	N	31.6	Very low	35.8	Very low	143 Å²	143	154.1 Å²	154.1	77%	0.765	82%	0.817	S	S	*	*			trans	-83.3	148.2	-176.9	-59	-4.7	0	0	0	112.1
201	F	43	Very low	35.5	Very low	208 Å²	208	155.5 Å²	155.5	91%	0.912	82%	0.824	S	S	*	*			trans	-138.7	155.1	145.8	-94.4	-83.7	0	0	0	109.2
202	P	33.5	Very low	35.8	Very low	110 Å²	110	156.7 Å²	156.7	71%	0.714	83%	0.826	S	S	*	*			trans	-93	166.5	-152.8	36.3	-37.2	0	0	0	115.5
203	I	33	Very low	35.4	Very low	170 Å²	170	157 Å²	157	87%	0.872	82%	0.824	S	S	*	*			trans	-61.7	137.7	171.2	-60.3	164	0	0	0	110.3
204	M	34.1	Very low	35.7	Very low	160 Å²	160	156.4 Å²	156.4	79%	0.788	82%	0.82	S	S	*	*			trans	-127.5	149.3	162.2	-80.7	-157.9	72.3	0	0	110.8
205	P	34.4	Very low	35.4	Very low	106 Å²	106	154.8 Å²	154.8	69%	0.688	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-75.5	161.8	-174.1	31.5	-36.6	0	0	0	113.3	I207	P205-I207 PolarHBondContact O-N 3.38Å
206	S	29.6	Very low	35.3	Very low	120 Å²	120	154 Å²	154	84%	0.839	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-65.7	126.1	178.4	38.4	0	0	0	0	112.8
207	I	35	Very low	35.6	Very low	142 Å²	142	159.9 Å²	159.9	73%	0.728	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-101.7	125.1	170.7	-59.7	176.5	0	0	0	108.4	P205 S209	P205-I207 PolarHBondContact O-N 3.38Å; I207-S209 PolarHBondContact O-N 3.03Å
208	P	32	Very low	35.5	Very low	123 Å²	123	159.1 Å²	159.1	80%	0.799	80%	0.801	S	S	*	*			trans	-71.3	102.3	178.1	28.1	-33.4	0	0	0	110.8	R210	P208-R210 PolarHBondContact O-N 2.9Å
209	S	37.3	Very low	35.6	Very low	116 Å²	116	162.9 Å²	162.9	81%	0.811	80%	0.804	S	S	*	*			trans	-81.2	77.9	-173.3	46.2	0	0	0	0	113.4	I207	I207-S209 PolarHBondContact O-N 3.03Å
210	R	33.9	Very low	35.2	Very low	234 Å²	234	162 Å²	162	88%	0.883	80%	0.803	S	S	*	*			trans	40.8	114.1	157.5	-70.6	-179.4	172.7	166	-1.5	117.4	P208 K212	P208-R210 PolarHBondContact O-N 2.9Å; R210-K212 PolarHBondContact O-N 2.9Å
211	E	34.4	Very low	35.5	Very low	196 Å²	196	161.5 Å²	161.5	92%	0.916	80%	0.8	S	S	*	*			trans	-47.7	134.9	170.2	-61.8	172.2	117.5	0	0	112.8	K213	E211-K213 PolarHBondContact O-N 3.4Å
212	K	40.5	Very low	35.8	Very low	203 Å²	203	157.3 Å²	157.3	88%	0.883	79%	0.792	S	S	*	*			trans	-72.2	112.5	-178.3	-68	167.7	-177.6	168.2	0	109	R210 I214	R210-K212 PolarHBondContact O-N 2.9Å; K212-I214 PolarHBondContact O-N 3.49Å
213	K	34.6	Very low	37.3	Very low	205 Å²	205	156 Å²	156	89%	0.891	79%	0.785	S	S	*	*			trans	-44	124.5	174.6	-79.6	-173.2	172.9	-175.8	0	110.7	E211 A215	E211-K213 PolarHBondContact O-N 3.4Å; K213-A215 PolarHBondContact O-N 3.21Å
214	I	39.2	Very low	39.7	Very low	139 Å²	139	153.3 Å²	153.3	71%	0.713	77%	0.769	S	S	*	*			trans	-58.8	121	179.4	-63.4	170.5	0	0	0	109	K212 F216	K212-I214 PolarHBondContact O-N 3.49Å; I214-F216 VanDerWaalsContact C-N 3.3Å; I214-F216 HydrophobicContact CB-CD2 4.37Å; I214-F216 HydrophobicContact CG2-CD2 4.02Å; I214-F216 HydrophobicContact CG2-CE2 4.46Å; I214-F216 PolarHBondContact O-N 2.88Å
215	A	37	Very low	42.3	Very low	65 Å²	65	145.7 Å²	145.7	54%	0.537	73%	0.732	S	S	.	*			trans	-74.2	84	176.9	0	0	0	0	0	110	K213 F217 R218	K213-A215 PolarHBondContact O-N 3.21Å; A215-F217 PolarHBondContact O-N 3.09Å; A215-R218 PolarHBondContact O-N 3.47Å
216	F	35.6	Very low	45.1	Very low	176 Å²	176	141.3 Å²	141.3	77%	0.772	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	8.9	-167.4	-125.1	-93.2	0	0	0	116.9	I214	I214-F216 VanDerWaalsContact C-N 3.3Å; I214-F216 HydrophobicContact CB-CD2 4.37Å; I214-F216 HydrophobicContact CG2-CD2 4.02Å; I214-F216 HydrophobicContact CG2-CE2 4.46Å; I214-F216 PolarHBondContact O-N 2.88Å
217	F	39.4	Very low	48	Very low	202 Å²	202	136.2 Å²	136.2	89%	0.886	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.3	19.4	-179.5	-86.3	-80.4	0	0	0	113.9	A215 K219	A215-F217 PolarHBondContact O-N 3.09Å; F217-K219 PolarHBondContact O-N 3.49Å
218	R	33.2	Very low	50.6	Low	220 Å²	220	133.4 Å²	133.4	83%	0.83	66%	0.655	S	S	*	*			trans	-66.8	104	159.7	-72.9	-170.9	177.5	-168.7	-1.2	108.4	A215 Q220	A215-R218 PolarHBondContact O-N 3.47Å; R218-Q220 PolarHBondContact O-N 3.46Å
219	K	34.7	Very low	53.6	Low	187 Å²	187	127.7 Å²	127.7	81%	0.813	62%	0.617	S	S	*	*			trans	-53.7	113.9	157.3	-79.5	-174.6	173.8	-177	0	106.7	F217 D221	F217-K219 PolarHBondContact O-N 3.49Å; K219-D221 VanDerWaalsContact C-N 3.31Å; K219-D221 PolarHBondContact O-N 3Å
220	Q	34	Very low	56.4	Low	177 Å²	177	122.3 Å²	122.3	83%	0.827	58%	0.58	S	S	*	*			trans	-74	93.9	172.4	-174.1	171.5	2.9	0	0	106	R218 T222	R218-Q220 PolarHBondContact O-N 3.46Å; Q220-T222 PolarHBondContact O-N 3.37Å
221	D	38.2	Very low	59.3	Low	132 Å²	132	111.9 Å²	111.9	71%	0.706	54%	0.542	S	S	*	.			trans	-60	103.2	173.8	-81.5	-38	0	0	0	107.8	K219 S223	K219-D221 VanDerWaalsContact C-N 3.31Å; K219-D221 PolarHBondContact O-N 3Å; D221-S223 PolarHBondContact O-N 3.33Å; D221-S223 PolarHBondContact O-OG 3.04Å; D221-S223 VanDerWaalsContact O-OG 3.09Å
222	T	48.5	Very low	62.3	Low	120 Å²	120	102.6 Å²	102.6	74%	0.736	50%	0.499	S	S	*	.			trans	-63.5	80.9	177.2	-53.9	0	0	0	0	108.7	Q220 Q224	Q220-T222 PolarHBondContact O-N 3.37Å; T222-Q224 PolarHBondContact O-N 2.92Å
223	S	65.5	Low	65	Low	82 Å²	82	94.3 Å²	94.3	57%	0.573	46%	0.462	S	S	*	.			trans	-69.1	103.8	-176	-63.9	0	0	0	0	107.4	D221 A225	D221-S223 PolarHBondContact O-N 3.33Å; D221-S223 PolarHBondContact O-OG 3.04Å; D221-S223 VanDerWaalsContact O-OG 3.09Å; S223-A225 PolarHBondContact O-N 3.06Å
224	Q	81.8	Confident	68.1	Low	114 Å²	114	84.6 Å²	84.6	53%	0.533	42%	0.42	S	S	.	.			trans	-49.1	136.4	178.8	-61	-177.9	-70.1	0	0	108.9	N55 T222 Y226	N55-Q224 WeakPolarHBondContact CB-O 3.47Å; N55-Q224 PolarHBondContact ND2-O 3.37Å; T222-Q224 PolarHBondContact O-N 2.92Å; Q224-Y226 PolarHBondContact O-N 3.29Å
225	A	90.5	Very high	70.9	Confident	1 Å²	1	78 Å²	78	1%	0.008	39%	0.386	C	S	.	.	S	Bend	trans	-55.8	-26.7	-174.1	0	0	0	0	0	113.2	N55 V56 L139 S223	N55-A225 PolarHBondContact N-O 3.14Å; V56-A225 HydrophobicContact CG2-CB 4.01Å; L139-A225 HydrophobicContact CB-CB 4.31Å; L139-A225 HydrophobicContact CD1-CB 3.64Å; S223-A225 PolarHBondContact O-N 3.06Å
226	Y	92.7	Very high	73.9	Confident	13 Å²	13	74.9 Å²	74.9	5%	0.051	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	136	178.1	-59.2	-45	0	0	0	110.7	V52 R53 T54 F75 L81 W119 I133 P134 P136 L139 Q224	V52-Y226 HydrophobicContact CB-CD1 4.49Å; V52-Y226 HydrophobicContact CB-CG 4.26Å; V52-Y226 HydrophobicContact CG1-CG 4.44Å; V52-Y226 HydrophobicContact CG2-CD1 4.03Å; V52-Y226 HydrophobicContact CG2-CG 4.07Å; R53-Y226 CarbonylContact O-C 3.58Å; R53-Y226 WeakPolarHBondContact O-CA 3.33Å; T54-Y226 HydrophobicContact CG2-CD1 4.17Å; T54-Y226 HydrophobicContact CG2-CE1 4Å; F75-Y226 HydrophobicContact CE1-CE1 4.47Å; F75-Y226 WeakPolarHBondContact CE1-OH 3.43Å; F75-Y226 HydrophobicContact CE2-CE1 4.04Å; F75-Y226 AromaticContact CZ-CE1 3.78Å; F75-Y226 HydrophobicContact CZ-CE1 3.78Å; F75-Y226 AromaticContact CZ-CZ 3.9Å; F75-Y226 WeakPolarHBondContact CZ-OH 3.41Å; L81-Y226 HydrophobicContact CD1-CE1 3.95Å; W119-Y226 HydrophobicContact CE3-CD2 4.46Å; W119-Y226 HydrophobicContact CE3-CE2 4.19Å; W119-Y226 AromaticContact CH2-CD2 3.82Å; W119-Y226 HydrophobicContact CH2-CD2 3.82Å; W119-Y226 HydrophobicContact CH2-CE2 4.24Å; W119-Y226 AromaticContact CZ3-CD2 3.53Å; W119-Y226 HydrophobicContact CZ3-CD2 3.53Å; W119-Y226 AromaticContact CZ3-CE2 3.7Å; W119-Y226 HydrophobicContact CZ3-CE2 3.7Å; W119-Y226 HydrophobicContact CZ3-CG 4.48Å; I133-Y226 HydrophobicContact CG2-CE2 4.47Å; I133-Y226 VanDerWaalsContact CG2-OH 3.25Å; I133-Y226 WeakPolarHBondContact CG2-OH 3.46Å; P134-Y226 WeakPolarHBondContact O-CE2 3.38Å; P134-Y226 PolarHBondContact O-OH 3.1Å; P136-Y226 HydrophobicContact CG-CD2 3.95Å; P136-Y226 HydrophobicContact CG-CE2 4.42Å; L139-Y226 HydrophobicContact CD1-CE1 4.29Å; L139-Y226 HydrophobicContact CD1-CE2 4.11Å; Q224-Y226 PolarHBondContact O-N 3.29Å
227	D	89.9	Confident	76.9	Confident	13 Å²	13	66.5 Å²	66.5	7%	0.07	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	136.5	156	-61.8	-33.4	0	0	0	108.4	V52 R53 N55 V229 K281	V52-D227 CarbonylContact C-O 3.53Å; V52-D227 WeakPolarHBondContact CA-O 3.31Å; V52-D227 VanDerWaalsContact CB-O 3.28Å; V52-D227 WeakPolarHBondContact CB-O 3.34Å; R53-D227 HydrophobicContact CB-CB 4.49Å; R53-D227 IonicContact CZ-OD2 2.82Å; R53-D227 PolarHBondContact N-O 3.21Å; R53-D227 IonicContact NE-OD2 3.32Å; R53-D227 PolarHBondContact NE-OD2 3.02Å; R53-D227 IonicContact NH2-OD2 2.87Å; R53-D227 PolarHBondContact NH2-OD2 3.04Å; R53-D227 PolarHBondContact O-N 3.02Å; N55-D227 PolarHBondContact ND2-OD1 3.33Å; D227-V229 HydrophobicContact CB-CG1 4.2Å; D227-K281 WeakPolarHBondContact OD1-CE 3.48Å; D227-K281 IonicContact OD1-NZ 3.63Å; D227-K281 PolarHBondContact OD1-NZ 2.72Å; D227-K281 VanDerWaalsContact OD2-CE 3.27Å; D227-K281 WeakPolarHBondContact OD2-CE 3.46Å; D227-K281 IonicContact OD2-NZ 2.74Å; D227-K281 PolarHBondContact OD2-NZ 3Å
228	V	90.7	Very high	79.7	Confident	84 Å²	84	56.9 Å²	56.9	51%	0.509	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	132.6	166.6	-178.1	0	0	0	0	109.2	V52 F375 S401	V52-V228 HydrophobicContact CG1-CG2 4.36Å; V228-F375 HydrophobicContact CG1-CE1 4.22Å; V228-S401 WeakPolarHBondContact O-CB 3.4Å
229	V	94.6	Very high	82.8	Confident	3 Å²	3	46.4 Å²	46.4	2%	0.018	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	160.1	-173.8	-53.8	0	0	0	0	111.5	S51 R53 F80 D227 S401 A403	S51-V229 PolarHBondContact O-N 2.72Å; R53-V229 HydrophobicContact CB-CG1 3.77Å; F80-V229 HydrophobicContact CD1-CG2 4.11Å; F80-V229 HydrophobicContact CE1-CG2 4.29Å; D227-V229 HydrophobicContact CB-CG1 4.2Å; V229-S401 WeakPolarHBondContact CA-O 3.37Å; V229-S401 WeakPolarHBondContact CG1-O 3.43Å; V229-A403 HydrophobicContact CB-CB 4.28Å; V229-A403 HydrophobicContact CG1-CB 3.88Å
230	P	96	Very high	85.8	Confident	3 Å²	3	37.6 Å²	37.6	2%	0.019	20%	0.204	C	C	.	.			trans	-57.6	140.4	174.1	-23.2	34.4	0	0	0	111.8	M232 I374 F375 A378 S401 L402	P230-M232 VanDerWaalsContact C-N 3.29Å; P230-M232 WeakPolarHBondContact CB-O 3.36Å; P230-M232 PolarHBondContact O-N 3.2Å; P230-I374 HydrophobicContact CG-CG2 4.5Å; P230-F375 HydrophobicContact CG-CD1 4.28Å; P230-F375 HydrophobicContact CG-CD2 3.91Å; P230-F375 HydrophobicContact CG-CE1 4.17Å; P230-F375 HydrophobicContact CG-CE2 3.78Å; P230-F375 HydrophobicContact CG-CG 4.18Å; P230-F375 HydrophobicContact CG-CZ 3.92Å; P230-A378 HydrophobicContact CB-CB 3.54Å; P230-S401 WeakPolarHBondContact CD-O 3.4Å; P230-L402 WeakPolarHBondContact CD-O 3.3Å; P230-L402 HydrophobicContact CG-CD2 4.11Å
231	S	93.7	Very high	88.9	Confident	14 Å²	14	29.2 Å²	29.2	10%	0.098	17%	0.165	C	C	.	.	S	Bend	trans	-67.1	-28.7	-173.4	-66.1	0	0	0	0	114.6	S51 H82	S51-S231 VanDerWaalsContact OG-CA 3.24Å; S51-S231 WeakPolarHBondContact OG-CA 3.48Å; S51-S231 VanDerWaalsContact OG-CB 3.32Å; S51-S231 WeakPolarHBondContact OG-CB 3.4Å; S51-S231 PolarHBondContact OG-OG 2.77Å; H82-S231 PolarHBondContact NE2-O 2.97Å
232	M	98	Very high	91.7	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	15%	0.145	C	C	.	.	S	Bend	trans	-109.4	124.7	160.5	-63.4	-64.3	-74.4	0	0	107.5	P230 A378 M381 Q382 L383 Y473 W474 T477	P230-M232 VanDerWaalsContact C-N 3.29Å; P230-M232 WeakPolarHBondContact CB-O 3.36Å; P230-M232 PolarHBondContact O-N 3.2Å; M232-A378 HydrophobicContact CB-CB 4.34Å; M232-A378 WeakPolarHBondContact O-CB 3.42Å; M232-M381 WeakPolarHBondContact CE-O 3.33Å; M232-M381 HydrophobicContact SD-CE 3.93Å; M232-M381 HydrophobicContact SD-SD 4.41Å; M232-Q382 WeakPolarHBondContact CB-O 3.49Å; M232-Q382 WeakPolarHBondContact CG-O 3.15Å; M232-L383 HydrophobicContact CE-CD2 4.02Å; M232-Y473 HydrophobicContact CE-CD1 4.42Å; M232-Y473 HydrophobicContact CE-CE1 3.86Å; M232-Y473 HydrophobicContact SD-CE1 4.48Å; M232-W474 HydrophobicContact CE-CE3 4.32Å; M232-W474 HydrophobicContact CE-CZ3 4.42Å; M232-T477 HydrophobicContact CE-CG2 4.14Å; M232-T477 HydrophobicContact SD-CG2 3.62Å
233	R	98.4	Very high	94	Very high	30 Å²	30	20.5 Å²	20.5	11%	0.113	11%	0.113	C	C	.	.	P	Polyproline II helix	trans	-63.1	126	178.2	-68.3	174.1	67.7	-164.5	1.4	108.7	F80 V235 A403 P404 I405 D451 Y473	F80-R233 HydrophobicContact CD1-CG 4.17Å; F80-R233 HydrophobicContact CE1-CG 3.79Å; F80-R233 HydrophobicContact CZ-CG 4.18Å; F80-R233 VanDerWaalsContact CZ-NE 3.31Å; R233-V235 PolarHBondContact O-N 3.35Å; R233-A403 WeakPolarHBondContact CG-O 3.44Å; R233-A403 PolarHBondContact NE-O 2.89Å; R233-P404 PolarHBondContact NH2-O 3.34Å; R233-I405 HydrophobicContact CB-CD1 4Å; R233-I405 HydrophobicContact CB-CG1 3.75Å; R233-D451 IonicContact CZ-OD1 3.39Å; R233-D451 IonicContact CZ-OD2 2.76Å; R233-D451 IonicContact NH1-OD1 3.73Å; R233-D451 PolarHBondContact NH1-OD1 2.76Å; R233-D451 IonicContact NH2-OD1 3.28Å; R233-D451 PolarHBondContact NH2-OD1 3.15Å; R233-D451 IonicContact NH2-OD2 2.74Å; R233-D451 PolarHBondContact NH2-OD2 2.76Å; R233-Y473 PolarHBondContact N-OH 3.37Å
234	P	98.6	Very high	95.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	12%	0.115	C	C	.	.	P	Polyproline II helix	trans	-67.3	131.5	177.5	22.8	-29.4	0	0	0	111.1	I374 V384 L386 L402 P404 I405	P234-I374 HydrophobicContact CB-CG2 4.21Å; P234-I374 HydrophobicContact CG-CG2 4.15Å; P234-V384 CarbonylContact C-O 3.58Å; P234-V384 WeakPolarHBondContact CA-O 3.3Å; P234-L386 HydrophobicContact CB-CD1 3.57Å; P234-L386 HydrophobicContact CB-CD2 4.25Å; P234-L386 HydrophobicContact CB-CG 3.7Å; P234-L386 HydrophobicContact CG-CD1 4.18Å; P234-L402 WeakPolarHBondContact CD-O 3.48Å; P234-L402 HydrophobicContact CG-CB 4.16Å; P234-P404 HydrophobicContact CG-CB 4.21Å; P234-P404 CarbonylContact O-C 3.6Å; P234-P404 WeakPolarHBondContact O-CA 3.41Å; P234-P404 WeakPolarHBondContact O-CB 3.27Å; P234-I405 PolarHBondContact O-N 2.8Å
235	V	98.8	Very high	96.3	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.006	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	132.7	175.5	-176.1	0	0	0	0	109.9	R233 V384 V385 L386 I405 I407 L470	R233-V235 PolarHBondContact O-N 3.35Å; V235-V384 PolarHBondContact N-O 2.91Å; V235-V385 HydrophobicContact CB-CB 4.43Å; V235-V385 HydrophobicContact CB-CG1 4.28Å; V235-V385 HydrophobicContact CB-CG2 4.06Å; V235-V385 HydrophobicContact CG2-CG2 4.31Å; V235-L386 PolarHBondContact O-N 3.2Å; V235-I405 HydrophobicContact CG2-CB 4.27Å; V235-I405 HydrophobicContact CG2-CD1 4.29Å; V235-I407 HydrophobicContact CG1-CD1 3.55Å; V235-I407 HydrophobicContact CG1-CG1 4.07Å; V235-L470 HydrophobicContact CG2-CD2 3.88Å
236	V	98.7	Very high	96.6	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	120.6	-179.2	-178.5	0	0	0	0	110.3	L386 I391 L397 P404 I405 M406 I407	V236-L386 HydrophobicContact CG2-CB 4.31Å; V236-L386 HydrophobicContact CG2-CD1 4.28Å; V236-I391 HydrophobicContact CG1-CB 4.48Å; V236-I391 HydrophobicContact CG1-CG2 3.97Å; V236-L397 HydrophobicContact CG1-CD1 4.22Å; V236-L397 HydrophobicContact CG2-CD1 4Å; V236-P404 HydrophobicContact CB-CB 4.37Å; V236-P404 HydrophobicContact CG2-CB 3.68Å; V236-P404 HydrophobicContact CG2-CG 4.47Å; V236-I405 PolarHBondContact N-O 3.08Å; V236-M406 HydrophobicContact CB-CE 4.32Å; V236-M406 HydrophobicContact CB-SD 4.07Å; V236-M406 HydrophobicContact CG1-CE 4.16Å; V236-M406 HydrophobicContact CG1-SD 4.37Å; V236-I407 PolarHBondContact O-N 2.98Å
237	L	98.6	Very high	96.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	130.4	175.7	-54.2	-172.6	0	0	0	111.5	K243 Q252 V255 F256 I407	L237-K243 VanDerWaalsContact O-CE 3.28Å; L237-K243 WeakPolarHBondContact O-CE 3.23Å; L237-K243 PolarHBondContact O-NZ 3.02Å; L237-K243 VanDerWaalsContact O-NZ 3.1Å; L237-Q252 HydrophobicContact CB-CG 4.22Å; L237-Q252 HydrophobicContact CD1-CB 4.16Å; L237-Q252 HydrophobicContact CD1-CG 4.31Å; L237-Q252 PolarHBondContact O-NE2 3.12Å; L237-Q252 PolarHBondContact O-OE1 3.47Å; L237-V255 HydrophobicContact CD1-CB 3.96Å; L237-V255 HydrophobicContact CD1-CG1 3.76Å; L237-V255 HydrophobicContact CD2-CG1 4.29Å; L237-F256 HydrophobicContact CB-CZ 4.37Å; L237-F256 HydrophobicContact CD1-CD1 3.83Å; L237-F256 HydrophobicContact CD1-CD2 4.45Å; L237-F256 HydrophobicContact CD1-CE1 3.48Å; L237-F256 VanDerWaalsContact CD1-CE1 3.48Å; L237-F256 HydrophobicContact CD1-CE2 4.17Å; L237-F256 HydrophobicContact CD1-CG 4.3Å; L237-F256 HydrophobicContact CD1-CZ 3.68Å; L237-F256 HydrophobicContact CG-CD1 4.47Å; L237-F256 HydrophobicContact CG-CE1 3.73Å; L237-F256 HydrophobicContact CG-CZ 3.95Å; L237-I407 HydrophobicContact CD2-CB 3.83Å; L237-I407 HydrophobicContact CD2-CG2 3.93Å
238	V	98.5	Very high	97.3	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	153.9	171.2	-67.3	0	0	0	0	111.4	I391 M406 I407 Y408 I409 L442 F450	V238-I391 HydrophobicContact CG1-CG2 4.2Å; V238-M406 HydrophobicContact CB-CE 4.4Å; V238-M406 HydrophobicContact CG1-CE 3.59Å; V238-M406 HydrophobicContact CG2-CE 3.88Å; V238-I407 WeakPolarHBondContact CG2-O 3.46Å; V238-I407 PolarHBondContact N-O 3.31Å; V238-Y408 WeakPolarHBondContact O-CA 3.46Å; V238-I409 PolarHBondContact O-N 2.82Å; V238-L442 HydrophobicContact CG2-CD2 4.38Å; V238-F450 HydrophobicContact CG2-CD1 4.33Å; V238-F450 HydrophobicContact CG2-CE1 4.01Å
239	G	97.9	Very high	97.6	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.098	C	C	.	.			trans	74.6	177.7	-174.5	0	0	0	0	0	113.7	S241 Q252 I409	G239-S241 VanDerWaalsContact C-N 3.34Å; G239-Q252 PolarHBondContact O-NE2 3.01Å; G239-I409 CarbonylContact C-O 3.55Å
240	P	98.2	Very high	97.8	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.013	12%	0.121	C	C	.	.	S	Bend	cis	-79.2	-8.8	5.6	32.8	-37.6	0	0	0	115.4	M251 I409 I411 A439	P240-M251 HydrophobicContact CG-CE 4.06Å; P240-M251 HydrophobicContact CG-SD 3.77Å; P240-I409 WeakPolarHBondContact CA-O 3.46Å; P240-I409 HydrophobicContact CB-CG2 4.41Å; P240-I409 WeakPolarHBondContact CB-O 3.33Å; P240-I409 HydrophobicContact CG-CG2 4.38Å; P240-I411 HydrophobicContact CB-CB 4.26Å; P240-I411 HydrophobicContact CB-CD1 3.65Å; P240-I411 HydrophobicContact CB-CG1 3.7Å; P240-I411 HydrophobicContact CG-CD1 3.66Å; P240-I411 HydrophobicContact CG-CG1 4.14Å; P240-A439 WeakPolarHBondContact O-CB 3.1Å
241	S	98.4	Very high	97.9	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.007	14%	0.135	C	C	.	.	S	Bend	trans	-139.8	-159.6	173.1	-173	0	0	0	0	109.3	G239 T248 Q435	G239-S241 VanDerWaalsContact C-N 3.34Å; S241-T248 WeakPolarHBondContact CB-OG1 3.36Å; S241-Q435 WeakPolarHBondContact OG-CA 3.06Å; S241-Q435 WeakPolarHBondContact OG-CB 3.44Å; S241-Q435 PolarHBondContact OG-O 3.35Å
242	L	97.7	Very high	98.1	Very high	56 Å²	56	24 Å²	24	29%	0.293	13%	0.132	S	C	.	.			trans	-70.5	140.2	173.3	-154.8	82.3	0	0	0	110.2	Y245 T248 N392 A438	L242-Y245 HydrophobicContact CB-CD2 4.02Å; L242-Y245 HydrophobicContact CB-CE2 4.11Å; L242-Y245 HydrophobicContact CD2-CD2 4.47Å; L242-Y245 HydrophobicContact CD2-CE2 3.87Å; L242-T248 VanDerWaalsContact O-CB 3.23Å; L242-T248 WeakPolarHBondContact O-CB 3.49Å; L242-T248 PolarHBondContact O-OG1 3.42Å; L242-N392 VanDerWaalsContact CA-OD1 3.3Å; L242-N392 WeakPolarHBondContact CA-OD1 3.36Å; L242-N392 HydrophobicContact CD1-CB 3.88Å; L242-N392 WeakPolarHBondContact CD1-OD1 3.45Å; L242-N392 WeakPolarHBondContact CG-OD1 3.46Å; L242-A438 HydrophobicContact CB-CB 3.85Å; L242-A438 HydrophobicContact CD1-CB 3.99Å
243	K	97.8	Very high	98.1	Very high	13 Å²	13	29.4 Å²	29.4	6%	0.057	16%	0.155	C	C	.	.	S	Bend	trans	-68.1	164.1	169.4	-61.1	-168.7	-177.2	-156.6	0	111.8	L237 Y245 T248 D249 C388 I391 N392	L237-K243 VanDerWaalsContact O-CE 3.28Å; L237-K243 WeakPolarHBondContact O-CE 3.23Å; L237-K243 PolarHBondContact O-NZ 3.02Å; L237-K243 VanDerWaalsContact O-NZ 3.1Å; K243-Y245 VanDerWaalsContact C-N 3.3Å; K243-T248 HydrophobicContact CG-CG2 3.99Å; K243-D249 WeakPolarHBondContact CA-OD1 3.38Å; K243-C388 VanDerWaalsContact CD-O 3.22Å; K243-C388 WeakPolarHBondContact CD-O 3.41Å; K243-C388 WeakPolarHBondContact CE-O 3.49Å; K243-C388 PolarHBondContact NZ-O 3.01Å; K243-I391 WeakPolarHBondContact CE-O 3.41Å; K243-N392 PolarHBondContact N-OD1 3.08Å
244	G	96.4	Very high	98.1	Very high	60 Å²	60	29.5 Å²	29.5	62%	0.619	16%	0.162	S	C	*	.	S	Bend	trans	78.1	18.5	-172.3	0	0	0	0	0	112.7	D249	G244-D249 VanDerWaalsContact C-OD2 3.23Å; G244-D249 WeakPolarHBondContact CA-OD2 3.31Å; G244-D249 PolarHBondContact N-OD1 2.9Å; G244-D249 PolarHBondContact N-OD2 2.84Å
245	Y	98	Very high	98.1	Very high	39 Å²	39	29.8 Å²	29.8	15%	0.153	16%	0.164	C	C	.	.	S	Bend	trans	-135.2	134.9	175	-66.9	-66.3	0	0	0	109.6	L242 K243 V247 T248 D249 Q428 N431 Q435	L242-Y245 HydrophobicContact CB-CD2 4.02Å; L242-Y245 HydrophobicContact CB-CE2 4.11Å; L242-Y245 HydrophobicContact CD2-CD2 4.47Å; L242-Y245 HydrophobicContact CD2-CE2 3.87Å; K243-Y245 VanDerWaalsContact C-N 3.3Å; Y245-V247 PolarHBondContact O-N 2.89Å; Y245-T248 PolarHBondContact O-N 3.47Å; Y245-D249 PolarHBondContact N-OD2 2.84Å; Y245-D249 VanDerWaalsContact O-CG 3.26Å; Y245-D249 PolarHBondContact O-N 3.32Å; Y245-Q428 VanDerWaalsContact CD1-OE1 3.27Å; Y245-N431 HydrophobicContact CE1-CB 3.65Å; Y245-Q435 HydrophobicContact CD1-CG 4.38Å; Y245-Q435 HydrophobicContact CD2-CG 3.48Å; Y245-Q435 VanDerWaalsContact CD2-CG 3.48Å; Y245-Q435 HydrophobicContact CE2-CG 3.72Å; Y245-Q435 HydrophobicContact CG-CG 3.82Å
246	E	98.1	Very high	98.1	Very high	60 Å²	60	30.6 Å²	30.6	28%	0.28	17%	0.168	S	C	.	.	H	α-helix	trans	-51.7	-34.5	-168.6	-70	167.1	-124.3	0	0	114.7	M250 R424 Q428	E246-M250 WeakPolarHBondContact O-CB 3.17Å; E246-M250 WeakPolarHBondContact O-CG 3.49Å; E246-M250 PolarHBondContact O-N 2.75Å; E246-R424 HydrophobicContact CB-CG 4.2Å; E246-R424 IonicContact OE2-CZ 2.72Å; E246-R424 IonicContact OE2-NE 3.75Å; E246-R424 PolarHBondContact OE2-NE 2.9Å; E246-R424 IonicContact OE2-NH2 2.7Å; E246-R424 PolarHBondContact OE2-NH2 2.89Å; E246-Q428 HydrophobicContact CB-CG 4.38Å; E246-Q428 HydrophobicContact CG-CG 4.36Å; E246-Q428 VanDerWaalsContact OE1-CG 3.3Å; E246-Q428 WeakPolarHBondContact OE1-CG 3.43Å; E246-Q428 PolarHBondContact OE1-NE2 3.2Å
247	V	98	Very high	98.1	Very high	9 Å²	9	33.7 Å²	33.7	6%	0.055	18%	0.184	C	C	.	.	H	α-helix	trans	-66.1	-48.3	179.3	-178.4	0	0	0	0	111.1	Y245 M251 L417 L420 I421 R424	Y245-V247 PolarHBondContact O-N 2.89Å; V247-M251 HydrophobicContact CG1-SD 4.21Å; V247-M251 WeakPolarHBondContact O-CB 3.38Å; V247-M251 VanDerWaalsContact O-CG 3.25Å; V247-M251 WeakPolarHBondContact O-CG 3.44Å; V247-M251 PolarHBondContact O-N 3.11Å; V247-L417 HydrophobicContact CG1-CD1 4.04Å; V247-L420 HydrophobicContact CG1-CB 4.05Å; V247-L420 HydrophobicContact CG1-CD1 4.44Å; V247-L420 HydrophobicContact CG2-CB 4.32Å; V247-I421 HydrophobicContact CG2-CG1 4.06Å; V247-R424 HydrophobicContact CG2-CG 3.7Å
248	T	98.3	Very high	98.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-67.3	-49.9	179	-52.1	0	0	0	0	110.4	S241 L242 K243 Y245 M250 M251 Q252	S241-T248 WeakPolarHBondContact CB-OG1 3.36Å; L242-T248 VanDerWaalsContact O-CB 3.23Å; L242-T248 WeakPolarHBondContact O-CB 3.49Å; L242-T248 PolarHBondContact O-OG1 3.42Å; K243-T248 HydrophobicContact CG-CG2 3.99Å; Y245-T248 PolarHBondContact O-N 3.47Å; T248-M250 PolarHBondContact O-N 2.89Å; T248-M251 PolarHBondContact O-N 2.85Å; T248-Q252 HydrophobicContact CG2-CG 4.5Å; T248-Q252 PolarHBondContact O-N 2.76Å
249	D	97.9	Very high	98.1	Very high	62 Å²	62	36.1 Å²	36.1	33%	0.332	20%	0.195	S	C	.	.	H	α-helix	trans	-69.5	-38.5	-169.1	-53.2	-18.2	0	0	0	111	K243 G244 Y245 K253	K243-D249 WeakPolarHBondContact CA-OD1 3.38Å; G244-D249 VanDerWaalsContact C-OD2 3.23Å; G244-D249 WeakPolarHBondContact CA-OD2 3.31Å; G244-D249 PolarHBondContact N-OD1 2.9Å; G244-D249 PolarHBondContact N-OD2 2.84Å; Y245-D249 PolarHBondContact N-OD2 2.84Å; Y245-D249 VanDerWaalsContact O-CG 3.26Å; Y245-D249 PolarHBondContact O-N 3.32Å; D249-K253 VanDerWaalsContact O-CB 3.31Å; D249-K253 WeakPolarHBondContact O-CB 3.46Å; D249-K253 PolarHBondContact O-N 3.49Å
250	M	98.1	Very high	98	Very high	101 Å²	101	42 Å²	42	50%	0.498	22%	0.22	S	C	.	.	H	α-helix	trans	-68.5	-36.9	174.6	-69.3	-178.7	64.9	0	0	112.7	E246 T248 K253 A254 R424	E246-M250 WeakPolarHBondContact O-CB 3.17Å; E246-M250 WeakPolarHBondContact O-CG 3.49Å; E246-M250 PolarHBondContact O-N 2.75Å; T248-M250 PolarHBondContact O-N 2.89Å; M250-K253 PolarHBondContact O-N 3.25Å; M250-A254 PolarHBondContact O-N 2.76Å; M250-A254 VanDerWaalsContact O-N 3.1Å; M250-R424 PolarHBondContact SD-NH1 3.37Å; M250-R424 VanDerWaalsContact SD-NH1 3.36Å
251	M	98.1	Very high	98	Very high	63 Å²	63	48 Å²	48	31%	0.31	25%	0.248	S	C	.	.	H	α-helix	trans	-69.4	-42.8	177.3	-73	179.2	71.1	0	0	111.5	P240 V247 T248 A254 V255 I409 I411	P240-M251 HydrophobicContact CG-CE 4.06Å; P240-M251 HydrophobicContact CG-SD 3.77Å; V247-M251 HydrophobicContact CG1-SD 4.21Å; V247-M251 WeakPolarHBondContact O-CB 3.38Å; V247-M251 VanDerWaalsContact O-CG 3.25Å; V247-M251 WeakPolarHBondContact O-CG 3.44Å; V247-M251 PolarHBondContact O-N 3.11Å; T248-M251 PolarHBondContact O-N 2.85Å; M251-A254 PolarHBondContact O-N 3.5Å; M251-V255 PolarHBondContact O-N 2.91Å; M251-I409 HydrophobicContact CE-CG2 4Å; M251-I411 HydrophobicContact CE-CD1 4.16Å; M251-I411 HydrophobicContact CE-CG1 4.28Å; M251-I411 HydrophobicContact SD-CD1 4.08Å
252	Q	98.3	Very high	98	Very high	6 Å²	6	51.9 Å²	51.9	3%	0.028	26%	0.263	C	S	.	.	H	α-helix	trans	-65.6	-38.2	173.6	-67.7	-158.4	2.5	0	0	112.1	L237 G239 T248 A254 V255 F256 I409	L237-Q252 HydrophobicContact CB-CG 4.22Å; L237-Q252 HydrophobicContact CD1-CB 4.16Å; L237-Q252 HydrophobicContact CD1-CG 4.31Å; L237-Q252 PolarHBondContact O-NE2 3.12Å; L237-Q252 PolarHBondContact O-OE1 3.47Å; G239-Q252 PolarHBondContact O-NE2 3.01Å; T248-Q252 HydrophobicContact CG2-CG 4.5Å; T248-Q252 PolarHBondContact O-N 2.76Å; Q252-A254 VanDerWaalsContact C-N 3.34Å; Q252-A254 PolarHBondContact O-N 3.23Å; Q252-V255 PolarHBondContact O-N 3.44Å; Q252-F256 HydrophobicContact CB-CD2 4.5Å; Q252-F256 HydrophobicContact CB-CE2 4.2Å; Q252-F256 VanDerWaalsContact O-CD2 3.27Å; Q252-F256 WeakPolarHBondContact O-CD2 3.38Å; Q252-F256 WeakPolarHBondContact O-CG 3.17Å; Q252-F256 PolarHBondContact O-N 3.34Å; Q252-I409 HydrophobicContact CG-CD1 3.92Å
253	K	98.2	Very high	98	Very high	114 Å²	114	49.2 Å²	49.2	50%	0.496	25%	0.249	S	C	.	.	H	α-helix	trans	-59.6	-42.8	175.1	-164	-157.8	-179.7	-58.7	0	112.2	D249 M250 V255 F256 D257	D249-K253 VanDerWaalsContact O-CB 3.31Å; D249-K253 WeakPolarHBondContact O-CB 3.46Å; D249-K253 PolarHBondContact O-N 3.49Å; M250-K253 PolarHBondContact O-N 3.25Å; K253-V255 VanDerWaalsContact C-N 3.3Å; K253-V255 PolarHBondContact O-N 3.48Å; K253-F256 PolarHBondContact O-N 3.34Å; K253-D257 IonicContact NZ-OD1 2.64Å; K253-D257 PolarHBondContact NZ-OD1 2.88Å; K253-D257 IonicContact NZ-OD2 2.68Å; K253-D257 PolarHBondContact NZ-OD2 3.44Å; K253-D257 WeakPolarHBondContact O-CB 3.41Å; K253-D257 VanDerWaalsContact O-CG 3.23Å; K253-D257 PolarHBondContact O-N 3.34Å
254	A	98.4	Very high	98	Very high	32 Å²	32	56.2 Å²	56.2	26%	0.264	28%	0.281	S	S	.	.	H	α-helix	trans	-59.6	-41.1	177.2	0	0	0	0	0	112.1	M250 M251 Q252 D257 F258 L459	M250-A254 PolarHBondContact O-N 2.76Å; M250-A254 VanDerWaalsContact O-N 3.1Å; M251-A254 PolarHBondContact O-N 3.5Å; Q252-A254 VanDerWaalsContact C-N 3.34Å; Q252-A254 PolarHBondContact O-N 3.23Å; A254-D257 PolarHBondContact O-N 2.84Å; A254-F258 PolarHBondContact O-N 3.29Å; A254-L459 HydrophobicContact CB-CD1 4.01Å; A254-L459 HydrophobicContact CB-CD2 4.08Å
255	V	98.5	Very high	98	Very high	6 Å²	6	56.5 Å²	56.5	4%	0.036	29%	0.285	C	S	.	.	H	α-helix	trans	-67.7	-41.4	175.2	177.2	0	0	0	0	111.9	L237 M251 Q252 K253 F258 L259 I409 L459 L466	L237-V255 HydrophobicContact CD1-CB 3.96Å; L237-V255 HydrophobicContact CD1-CG1 3.76Å; L237-V255 HydrophobicContact CD2-CG1 4.29Å; M251-V255 PolarHBondContact O-N 2.91Å; Q252-V255 PolarHBondContact O-N 3.44Å; K253-V255 VanDerWaalsContact C-N 3.3Å; K253-V255 PolarHBondContact O-N 3.48Å; V255-F258 PolarHBondContact O-N 2.96Å; V255-L259 HydrophobicContact CG1-CD1 4.21Å; V255-L259 HydrophobicContact CG1-CG 4.44Å; V255-L259 WeakPolarHBondContact O-CB 3.23Å; V255-L259 WeakPolarHBondContact O-CG 3.43Å; V255-L259 PolarHBondContact O-N 2.9Å; V255-I409 HydrophobicContact CG2-CD1 3.93Å; V255-L459 HydrophobicContact CG2-CD1 4.47Å; V255-L466 HydrophobicContact CG1-CD2 3.39Å
256	F	98.1	Very high	98	Very high	18 Å²	18	57.4 Å²	57.4	8%	0.079	29%	0.288	C	S	.	.	H	α-helix	trans	-64.3	-39.9	174.2	-68.6	-46.4	0	0	0	112.6	L237 Q252 K253 L259 K260 V385 D387	L237-F256 HydrophobicContact CB-CZ 4.37Å; L237-F256 HydrophobicContact CD1-CD1 3.83Å; L237-F256 HydrophobicContact CD1-CD2 4.45Å; L237-F256 HydrophobicContact CD1-CE1 3.48Å; L237-F256 VanDerWaalsContact CD1-CE1 3.48Å; L237-F256 HydrophobicContact CD1-CE2 4.17Å; L237-F256 HydrophobicContact CD1-CG 4.3Å; L237-F256 HydrophobicContact CD1-CZ 3.68Å; L237-F256 HydrophobicContact CG-CD1 4.47Å; L237-F256 HydrophobicContact CG-CE1 3.73Å; L237-F256 HydrophobicContact CG-CZ 3.95Å; Q252-F256 HydrophobicContact CB-CD2 4.5Å; Q252-F256 HydrophobicContact CB-CE2 4.2Å; Q252-F256 VanDerWaalsContact O-CD2 3.27Å; Q252-F256 WeakPolarHBondContact O-CD2 3.38Å; Q252-F256 WeakPolarHBondContact O-CG 3.17Å; Q252-F256 PolarHBondContact O-N 3.34Å; K253-F256 PolarHBondContact O-N 3.34Å; F256-L259 PolarHBondContact O-N 2.83Å; F256-K260 WeakPolarHBondContact O-CB 3.37Å; F256-K260 PolarHBondContact O-N 3.32Å; F256-V385 HydrophobicContact CD1-CG1 3.91Å; F256-V385 HydrophobicContact CE1-CG1 3.58Å; F256-D387 HydrophobicContact CE2-CB 4.07Å; F256-D387 WeakPolarHBondContact CE2-OD1 3.41Å; F256-D387 HydrophobicContact CZ-CB 4.03Å
257	D	98.1	Very high	98	Very high	66 Å²	66	55.8 Å²	55.8	35%	0.353	28%	0.281	S	S	.	.	H	α-helix	trans	-62.7	-42.2	175.7	-70.6	-22.5	0	0	0	110.8	K253 A254 H261	K253-D257 IonicContact NZ-OD1 2.64Å; K253-D257 PolarHBondContact NZ-OD1 2.88Å; K253-D257 IonicContact NZ-OD2 2.68Å; K253-D257 PolarHBondContact NZ-OD2 3.44Å; K253-D257 WeakPolarHBondContact O-CB 3.41Å; K253-D257 VanDerWaalsContact O-CG 3.23Å; K253-D257 PolarHBondContact O-N 3.34Å; A254-D257 PolarHBondContact O-N 2.84Å; D257-H261 PolarHBondContact O-ND1 2.94Å
258	F	98.3	Very high	98	Very high	51 Å²	51	57.3 Å²	57.3	22%	0.224	29%	0.288	C	S	.	.	H	α-helix	trans	-60.7	-55	172.3	168	-100.1	0	0	0	111.9	A254 V255 K260 H261 R262 C463 A467	A254-F258 PolarHBondContact O-N 3.29Å; V255-F258 PolarHBondContact O-N 2.96Å; F258-K260 PolarHBondContact O-N 3.33Å; F258-H261 PolarHBondContact O-N 2.77Å; F258-H261 VanDerWaalsContact O-N 3.1Å; F258-R262 HydrophobicContact CD1-CB 4.39Å; F258-R262 HydrophobicContact CD2-CB 4.33Å; F258-R262 HydrophobicContact CE1-CB 3.97Å; F258-R262 HydrophobicContact CE1-CG 3.93Å; F258-R262 HydrophobicContact CE2-CB 3.92Å; F258-R262 HydrophobicContact CE2-CG 4.04Å; F258-R262 HydrophobicContact CZ-CB 3.74Å; F258-R262 HydrophobicContact CZ-CG 3.5Å; F258-R262 WeakPolarHBondContact O-CB 3.39Å; F258-R262 PolarHBondContact O-N 2.75Å; F258-C463 HydrophobicContact CD1-CB 3.62Å; F258-C463 HydrophobicContact CD2-CB 3.75Å; F258-C463 HydrophobicContact CE1-CB 3.57Å; F258-C463 WeakPolarHBondContact CE1-O 3.2Å; F258-C463 HydrophobicContact CE2-CB 3.7Å; F258-C463 HydrophobicContact CG-CB 3.7Å; F258-C463 VanDerWaalsContact CG-SG 3.59Å; F258-C463 HydrophobicContact CZ-CB 3.59Å; F258-C463 VanDerWaalsContact CZ-O 3.28Å; F258-C463 WeakPolarHBondContact CZ-O 3.38Å; F258-A467 HydrophobicContact CE1-CB 4.19Å; F258-A467 HydrophobicContact CZ-CB 4.04Å
259	L	98.3	Very high	98	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-55.3	-40.4	-177.2	-76.4	176.2	0	0	0	112.3	V255 F256 H261 F263 I267 L466 L470	V255-L259 HydrophobicContact CG1-CD1 4.21Å; V255-L259 HydrophobicContact CG1-CG 4.44Å; V255-L259 WeakPolarHBondContact O-CB 3.23Å; V255-L259 WeakPolarHBondContact O-CG 3.43Å; V255-L259 PolarHBondContact O-N 2.9Å; F256-L259 PolarHBondContact O-N 2.83Å; L259-H261 VanDerWaalsContact C-N 3.32Å; L259-H261 PolarHBondContact O-N 2.81Å; L259-F263 HydrophobicContact CD2-CD2 3.96Å; L259-F263 HydrophobicContact CD2-CE2 3.88Å; L259-F263 PolarHBondContact O-N 3Å; L259-F263 VanDerWaalsContact O-N 3.13Å; L259-I267 HydrophobicContact CB-CD1 3.89Å; L259-I267 WeakPolarHBondContact O-CD1 3.42Å; L259-L466 HydrophobicContact CD1-CD2 4.21Å; L259-L466 HydrophobicContact CD2-CD2 3.85Å; L259-L466 HydrophobicContact CD2-CG 4.06Å; L259-L466 HydrophobicContact CG-CD2 4.05Å; L259-L470 HydrophobicContact CD2-CD1 3.51Å
260	K	97.5	Very high	98	Very high	123 Å²	123	58.6 Å²	58.6	54%	0.535	30%	0.295	S	S	.	.	H	α-helix	trans	-56.6	-43.4	178.8	-172.9	-172.3	172.2	-166.4	0	112.6	F256 F258 E264 I269	F256-K260 WeakPolarHBondContact O-CB 3.37Å; F256-K260 PolarHBondContact O-N 3.32Å; F258-K260 PolarHBondContact O-N 3.33Å; K260-E264 PolarHBondContact O-N 3Å; K260-I269 HydrophobicContact CB-CD1 3.8Å; K260-I269 HydrophobicContact CG-CD1 4.39Å
261	H	97.6	Very high	97.9	Very high	129 Å²	129	60.8 Å²	60.8	60%	0.597	30%	0.298	S	S	*	.	H	α-helix	trans	-84.5	-43.3	-178.8	-59	97.6	0	0	0	111.4	D257 F258 L259 F263 E264	D257-H261 PolarHBondContact O-ND1 2.94Å; F258-H261 PolarHBondContact O-N 2.77Å; F258-H261 VanDerWaalsContact O-N 3.1Å; L259-H261 VanDerWaalsContact C-N 3.32Å; L259-H261 PolarHBondContact O-N 2.81Å; H261-F263 PolarHBondContact O-N 2.75Å; H261-E264 PolarHBondContact O-N 3.41Å
262	R	98	Very high	97.8	Very high	81 Å²	81	58 Å²	58	31%	0.306	29%	0.285	S	S	.	.	H	α-helix	trans	-63.6	-23.8	-177.5	-178.9	61.1	178.6	71.6	3	113.9	F258 A467 E471	F258-R262 HydrophobicContact CD1-CB 4.39Å; F258-R262 HydrophobicContact CD2-CB 4.33Å; F258-R262 HydrophobicContact CE1-CB 3.97Å; F258-R262 HydrophobicContact CE1-CG 3.93Å; F258-R262 HydrophobicContact CE2-CB 3.92Å; F258-R262 HydrophobicContact CE2-CG 4.04Å; F258-R262 HydrophobicContact CZ-CB 3.74Å; F258-R262 HydrophobicContact CZ-CG 3.5Å; F258-R262 WeakPolarHBondContact O-CB 3.39Å; F258-R262 PolarHBondContact O-N 2.75Å; R262-A467 HydrophobicContact CG-CB 4.18Å; R262-E471 IonicContact CZ-OE1 3.4Å; R262-E471 IonicContact NH1-OE1 2.64Å; R262-E471 PolarHBondContact NH1-OE1 2.92Å; R262-E471 IonicContact NH2-OE1 2.69Å
263	F	98.1	Very high	97.4	Very high	1 Å²	1	64.9 Å²	64.9	0%	0.004	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.8	26	179.4	-64.4	-87.9	0	0	0	113.1	L259 H261 G265 R266 I267 L383 A467 L470 E471	L259-F263 HydrophobicContact CD2-CD2 3.96Å; L259-F263 HydrophobicContact CD2-CE2 3.88Å; L259-F263 PolarHBondContact O-N 3Å; L259-F263 VanDerWaalsContact O-N 3.13Å; H261-F263 PolarHBondContact O-N 2.75Å; F263-G265 PolarHBondContact O-N 3.14Å; F263-R266 CarbonylContact O-C 3.48Å; F263-R266 WeakPolarHBondContact O-CA 3.42Å; F263-R266 PolarHBondContact O-N 3.39Å; F263-I267 HydrophobicContact CB-CB 3.86Å; F263-I267 HydrophobicContact CB-CD1 4.11Å; F263-I267 HydrophobicContact CB-CG2 4.09Å; F263-I267 WeakPolarHBondContact O-CG2 3.45Å; F263-I267 PolarHBondContact O-N 3.39Å; F263-L383 HydrophobicContact CB-CD1 4.26Å; F263-L383 HydrophobicContact CD1-CD1 3.46Å; F263-L383 VanDerWaalsContact CD1-CD1 3.46Å; F263-L383 HydrophobicContact CE1-CD1 3.89Å; F263-L383 HydrophobicContact CG-CD1 3.85Å; F263-A467 HydrophobicContact CE2-CB 4.29Å; F263-A467 HydrophobicContact CZ-CB 4.22Å; F263-L470 HydrophobicContact CE1-CB 4.11Å; F263-L470 HydrophobicContact CE2-CB 4.28Å; F263-L470 HydrophobicContact CE2-CD1 4.19Å; F263-L470 HydrophobicContact CZ-CB 3.65Å; F263-L470 HydrophobicContact CZ-CD1 4.39Å; F263-E471 HydrophobicContact CE1-CG 3.88Å; F263-E471 HydrophobicContact CZ-CG 4.08Å
264	E	96.9	Very high	97.1	Very high	159 Å²	159	60 Å²	60	74%	0.743	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	137.6	178.7	-174.4	166.2	-155.2	0	0	112.1	K260 H261 R266	K260-E264 PolarHBondContact O-N 3Å; H261-E264 PolarHBondContact O-N 3.41Å; E264-R266 PolarHBondContact O-N 2.7Å; E264-R266 VanDerWaalsContact O-N 3.15Å
265	G	96.9	Very high	96.8	Very high	67 Å²	67	60.1 Å²	60.1	69%	0.691	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	-9.4	-174.2	0	0	0	0	0	115.9	F263	F263-G265 PolarHBondContact O-N 3.14Å
266	R	97.8	Very high	96.5	Very high	58 Å²	58	59.9 Å²	59.9	22%	0.219	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.4	-0	177.7	-63.8	-171.9	-68	150.6	-4.2	114.2	F263 E264 Q382 L383 E471 W474	F263-R266 CarbonylContact O-C 3.48Å; F263-R266 WeakPolarHBondContact O-CA 3.42Å; F263-R266 PolarHBondContact O-N 3.39Å; E264-R266 PolarHBondContact O-N 2.7Å; E264-R266 VanDerWaalsContact O-N 3.15Å; R266-Q382 WeakPolarHBondContact O-CB 3.46Å; R266-L383 PolarHBondContact O-N 2.98Å; R266-E471 IonicContact CZ-OE1 3.29Å; R266-E471 IonicContact CZ-OE2 3.75Å; R266-E471 IonicContact NH1-OE1 3.5Å; R266-E471 IonicContact NH1-OE2 3.19Å; R266-E471 PolarHBondContact NH1-OE2 3.07Å; R266-E471 IonicContact NH2-OE1 3.06Å; R266-E471 PolarHBondContact NH2-OE1 3.03Å; R266-E471 IonicContact NH2-OE2 2.78Å; R266-E471 PolarHBondContact NH2-OE2 2.81Å; R266-W474 HydrophobicContact CB-CH2 3.86Å; R266-W474 HydrophobicContact CB-CZ2 4.43Å; R266-W474 HydrophobicContact CB-CZ3 3.96Å; R266-W474 HydrophobicContact CG-CH2 3.91Å; R266-W474 HydrophobicContact CG-CZ2 4.03Å; R266-W474 HydrophobicContact CG-CZ3 4.45Å
267	I	98.3	Very high	96.3	Very high	26 Å²	26	60.3 Å²	60.3	13%	0.133	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	138.5	-169.6	-164.5	172.2	0	0	0	112.8	L259 F263 I269 L383 V385	L259-I267 HydrophobicContact CB-CD1 3.89Å; L259-I267 WeakPolarHBondContact O-CD1 3.42Å; F263-I267 HydrophobicContact CB-CB 3.86Å; F263-I267 HydrophobicContact CB-CD1 4.11Å; F263-I267 HydrophobicContact CB-CG2 4.09Å; F263-I267 WeakPolarHBondContact O-CG2 3.45Å; F263-I267 PolarHBondContact O-N 3.39Å; I267-I269 HydrophobicContact CD1-CD1 4.16Å; I267-I269 HydrophobicContact CD1-CG1 3.96Å; I267-I269 HydrophobicContact CG1-CG1 4.02Å; I267-L383 CarbonylContact C-O 3.59Å; I267-L383 WeakPolarHBondContact CA-O 3.42Å; I267-L383 HydrophobicContact CB-CB 4.43Å; I267-L383 HydrophobicContact CG1-CB 4.16Å; I267-V385 HydrophobicContact CD1-CG2 3.76Å; I267-V385 HydrophobicContact CG1-CG2 3.91Å
268	I	98.2	Very high	95.9	Very high	41 Å²	41	62 Å²	62	21%	0.21	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	105.2	170.9	-52.3	178.2	0	0	0	107.6	L377 Q382 L383 V384 V385	I268-L377 HydrophobicContact CD1-CD2 4.21Å; I268-L377 HydrophobicContact CG2-CD1 4.18Å; I268-L377 HydrophobicContact CG2-CD2 4.23Å; I268-Q382 HydrophobicContact CD1-CB 4.15Å; I268-Q382 HydrophobicContact CG1-CB 4.09Å; I268-L383 PolarHBondContact N-O 2.93Å; I268-V384 WeakPolarHBondContact O-CA 3.37Å; I268-V385 PolarHBondContact O-N 3.12Å
269	I	97.9	Very high	95.3	Very high	62 Å²	62	60.1 Å²	60.1	32%	0.318	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	127	171.5	-49.4	-175	0	0	0	108.2	K260 I267 V385	K260-I269 HydrophobicContact CB-CD1 3.8Å; K260-I269 HydrophobicContact CG-CD1 4.39Å; I267-I269 HydrophobicContact CD1-CD1 4.16Å; I267-I269 HydrophobicContact CD1-CG1 3.96Å; I267-I269 HydrophobicContact CG1-CG1 4.02Å; I269-V385 WeakPolarHBondContact CA-O 3.23Å; I269-V385 HydrophobicContact CG1-CB 4.18Å; I269-V385 HydrophobicContact CG1-CG2 4.5Å; I269-V385 HydrophobicContact CG2-CB 4.42Å
270	T	97.8	Very high	94.2	Very high	26 Å²	26	67 Å²	67	16%	0.16	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	136	-179.4	-167.9	0	0	0	0	111.5	I272 R373 L377 V385 L386 D387	T270-I272 HydrophobicContact CG2-CD1 4.13Å; T270-R373 PolarHBondContact OG1-NH1 2.97Å; T270-L377 HydrophobicContact CG2-CD1 3.9Å; T270-V385 PolarHBondContact N-O 2.77Å; T270-L386 HydrophobicContact CG2-CD2 3.7Å; T270-L386 WeakPolarHBondContact O-CA 3.32Å; T270-D387 PolarHBondContact O-N 3.33Å
271	R	97.2	Very high	92.8	Very high	147 Å²	147	64.9 Å²	64.9	56%	0.555	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.1	140.8	171.2	-166.2	173.6	177	-167.5	2.3	109.9	R373 D387 D389	R271-R373 PolarHBondContact O-NH2 2.9Å; R271-D387 CarbonylContact C-O 3.6Å; R271-D387 WeakPolarHBondContact CA-O 3.24Å; R271-D387 HydrophobicContact CB-CB 4.39Å; R271-D387 HydrophobicContact CG-CB 4.45Å; R271-D387 WeakPolarHBondContact CG-O 3.4Å; R271-D389 IonicContact CZ-OD2 2.77Å; R271-D389 IonicContact NE-OD1 2.71Å; R271-D389 IonicContact NE-OD2 3.27Å; R271-D389 PolarHBondContact NE-OD2 2.96Å; R271-D389 IonicContact NH2-OD1 2.62Å; R271-D389 IonicContact NH2-OD2 3.16Å; R271-D389 PolarHBondContact NH2-OD2 3.17Å
272	I	95.8	Very high	90.7	Very high	5 Å²	5	62.7 Å²	62.7	3%	0.026	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	122.8	176.3	-58.3	-53.8	0	0	0	108.3	T270 A274 I276 R373 I374 L386 D387 C388	T270-I272 HydrophobicContact CG2-CD1 4.13Å; I272-A274 WeakPolarHBondContact CG2-O 3.18Å; I272-I276 HydrophobicContact CG2-CD1 4.28Å; I272-I276 HydrophobicContact CG2-CG1 4.17Å; I272-I276 HydrophobicContact CG2-CG2 3.72Å; I272-R373 VanDerWaalsContact CD1-NH2 3.33Å; I272-I374 HydrophobicContact CD1-CD1 3.99Å; I272-I374 HydrophobicContact CD1-CG1 4.14Å; I272-L386 HydrophobicContact CD1-CD2 4.15Å; I272-L386 HydrophobicContact CG1-CB 4.03Å; I272-L386 HydrophobicContact CG1-CD1 4.46Å; I272-L386 HydrophobicContact CG1-CD2 4.27Å; I272-L386 HydrophobicContact CG1-CG 4.48Å; I272-D387 PolarHBondContact N-O 3.13Å; I272-C388 HydrophobicContact CB-CB 4.45Å; I272-C388 VanDerWaalsContact CG1-SG 3.58Å
273	I	89.3	Confident	88.2	Confident	150 Å²	150	61.4 Å²	61.4	77%	0.769	33%	0.33	S	S	*	.			trans	-94.8	-38.6	-174.8	-56.3	177.5	0	0	0	111.4
274	A	91.4	Very high	85.8	Confident	11 Å²	11	65 Å²	65	9%	0.091	35%	0.348	C	S	.	.	S	Bend	trans	-79.4	148.9	179.2	0	0	0	0	0	111.8	I272 I276 V367 E370	I272-A274 WeakPolarHBondContact CG2-O 3.18Å; A274-I276 VanDerWaalsContact C-N 3.31Å; A274-I276 PolarHBondContact O-N 3.1Å; A274-V367 HydrophobicContact CB-CG2 3.87Å; A274-E370 HydrophobicContact CB-CG 3.95Å
275	D	91.9	Very high	83	Confident	36 Å²	36	60.1 Å²	60.1	19%	0.193	33%	0.332	C	S	.	.			trans	-76	83.7	176.2	-169.8	6.9	0	0	0	111.6	S277 L278 F363 T390	D275-S277 PolarHBondContact O-N 2.85Å; D275-S277 VanDerWaalsContact OD1-CB 3.3Å; D275-S277 WeakPolarHBondContact OD1-CB 3.46Å; D275-S277 PolarHBondContact OD1-N 2.9Å; D275-S277 PolarHBondContact OD1-OG 2.77Å; D275-S277 PolarHBondContact OD2-OG 3.06Å; D275-S277 VanDerWaalsContact OD2-OG 3.04Å; D275-L278 PolarHBondContact O-N 2.77Å; D275-F363 HydrophobicContact CB-CE1 4.17Å; D275-F363 HydrophobicContact CB-CZ 3.91Å; D275-T390 HydrophobicContact CB-CG2 4.04Å; D275-T390 WeakPolarHBondContact OD1-CB 3.24Å; D275-T390 PolarHBondContact OD1-OG1 3.37Å
276	I	94.2	Very high	80	Confident	0 Å²	0	61 Å²	61	0%	0	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-58.7	-9.8	177.7	55	162.8	0	0	0	114.1	I272 A274 L278 A279 E370 I371 L386 I391 L397 L402	I272-I276 HydrophobicContact CG2-CD1 4.28Å; I272-I276 HydrophobicContact CG2-CG1 4.17Å; I272-I276 HydrophobicContact CG2-CG2 3.72Å; A274-I276 VanDerWaalsContact C-N 3.31Å; A274-I276 PolarHBondContact O-N 3.1Å; I276-L278 PolarHBondContact O-N 2.76Å; I276-A279 WeakPolarHBondContact O-CB 3.4Å; I276-A279 PolarHBondContact O-N 3.2Å; I276-E370 HydrophobicContact CG2-CB 4.16Å; I276-I371 HydrophobicContact CB-CD1 4.19Å; I276-I371 HydrophobicContact CG2-CD1 4.1Å; I276-L386 HydrophobicContact CD1-CD1 4.38Å; I276-I391 HydrophobicContact CG1-CD1 4.32Å; I276-I391 HydrophobicContact CG1-CG1 4.41Å; I276-L397 HydrophobicContact CD1-CD2 3.89Å; I276-L397 HydrophobicContact CG1-CD2 3.98Å; I276-L402 HydrophobicContact CD1-CD1 3.85Å
277	S	92.7	Very high	77	Confident	28 Å²	28	63 Å²	63	20%	0.196	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-67.3	-17.8	170.4	76.6	0	0	0	0	113.8	D275 A279 Q396	D275-S277 PolarHBondContact O-N 2.85Å; D275-S277 VanDerWaalsContact OD1-CB 3.3Å; D275-S277 WeakPolarHBondContact OD1-CB 3.46Å; D275-S277 PolarHBondContact OD1-N 2.9Å; D275-S277 PolarHBondContact OD1-OG 2.77Å; D275-S277 PolarHBondContact OD2-OG 3.06Å; D275-S277 VanDerWaalsContact OD2-OG 3.04Å; S277-A279 VanDerWaalsContact C-N 3.32Å; S277-Q396 WeakPolarHBondContact CB-O 3.31Å
278	L	90.2	Very high	74.2	Confident	101 Å²	101	66.3 Å²	66.3	53%	0.529	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-81	-10.4	174.4	-55.7	-161.6	0	0	0	113.3	D275 I276 K280 F363	D275-L278 PolarHBondContact O-N 2.77Å; I276-L278 PolarHBondContact O-N 2.76Å; L278-K280 PolarHBondContact O-N 2.92Å; L278-F363 HydrophobicContact CD1-CD1 3.85Å; L278-F363 HydrophobicContact CD1-CE1 3.54Å; L278-F363 HydrophobicContact CD1-CZ 4.47Å; L278-F363 HydrophobicContact CG-CE1 4.18Å
279	A	86	Confident	71.1	Confident	12 Å²	12	69.9 Å²	69.9	10%	0.099	38%	0.382	C	S	.	.			trans	-67.5	125.6	177.5	0	0	0	0	0	111.5	I276 S277 V367 I371 T400	I276-A279 WeakPolarHBondContact O-CB 3.4Å; I276-A279 PolarHBondContact O-N 3.2Å; S277-A279 VanDerWaalsContact C-N 3.32Å; A279-V367 HydrophobicContact CB-CG1 3.78Å; A279-I371 HydrophobicContact CB-CD1 3.84Å; A279-I371 HydrophobicContact CB-CG1 3.82Å; A279-T400 HydrophobicContact CB-CG2 4.15Å
280	K	74.3	Confident	68.3	Low	145 Å²	145	73.3 Å²	73.3	63%	0.63	39%	0.394	S	S	*	.			trans	-112	134.2	179.7	-63.9	169.6	-171.2	167.4	0	109.5	L278 S282 A283	L278-K280 PolarHBondContact O-N 2.92Å; K280-S282 PolarHBondContact O-N 3.01Å; K280-A283 WeakPolarHBondContact O-CB 3.4Å; K280-A283 PolarHBondContact O-N 3.08Å
281	K	68.5	Low	65.4	Low	77 Å²	77	78.2 Å²	78.2	34%	0.335	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-40.5	-41.5	174.3	-71	-176.3	178.9	-169.3	0	114	D227 A283 I284 K399	D227-K281 WeakPolarHBondContact OD1-CE 3.48Å; D227-K281 IonicContact OD1-NZ 3.63Å; D227-K281 PolarHBondContact OD1-NZ 2.72Å; D227-K281 VanDerWaalsContact OD2-CE 3.27Å; D227-K281 WeakPolarHBondContact OD2-CE 3.46Å; D227-K281 IonicContact OD2-NZ 2.74Å; D227-K281 PolarHBondContact OD2-NZ 3Å; K281-A283 VanDerWaalsContact C-N 3.28Å; K281-A283 PolarHBondContact O-N 3.2Å; K281-I284 PolarHBondContact O-N 3.03Å; K281-K399 PolarHBondContact N-O 2.77Å
282	S	52.9	Low	62.5	Low	84 Å²	84	75.2 Å²	75.2	59%	0.587	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-70.1	-12.7	-176.6	60.6	0	0	0	0	115.7	K280 I284	K280-S282 PolarHBondContact O-N 3.01Å; S282-I284 VanDerWaalsContact C-N 3.34Å
283	A	45.4	Very low	59.8	Low	53 Å²	53	79.8 Å²	79.8	44%	0.438	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-72.6	-29.4	178.1	0	0	0	0	0	112.5	K280 K281	K280-A283 WeakPolarHBondContact O-CB 3.4Å; K280-A283 PolarHBondContact O-N 3.08Å; K281-A283 VanDerWaalsContact C-N 3.28Å; K281-A283 PolarHBondContact O-N 3.2Å
284	I	47.7	Very low	57.6	Low	77 Å²	77	79.6 Å²	79.6	40%	0.395	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-34.4	-174.6	-53.8	179.5	0	0	0	111.2	K281 S282 N286 I371 S401	K281-I284 PolarHBondContact O-N 3.03Å; S282-I284 VanDerWaalsContact C-N 3.34Å; I284-N286 PolarHBondContact O-N 3.17Å; I284-I371 HydrophobicContact CD1-CG2 3.97Å; I284-S401 WeakPolarHBondContact CD1-OG 3.22Å
285	S	39.5	Very low	55.3	Low	56 Å²	56	85.4 Å²	85.4	39%	0.392	46%	0.458	S	S	.	.	S	Bend	trans	-80.2	-7.4	-172.5	62.3	0	0	0	0	115.7
286	N	32.5	Very low	52.9	Low	86 Å²	86	93.3 Å²	93.3	46%	0.46	49%	0.485	S	S	.	.			trans	-140.5	79	-178.9	-85.3	-87.7	0	0	0	112.7	I284 T288 L289	I284-N286 PolarHBondContact O-N 3.17Å; N286-T288 PolarHBondContact O-N 2.73Å; N286-T288 VanDerWaalsContact O-N 3.17Å; N286-L289 PolarHBondContact O-N 2.71Å
287	P	36	Very low	50.3	Low	101 Å²	101	96.7 Å²	96.7	66%	0.656	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-22.4	174.4	25.4	-34.7	0	0	0	113.2	L289 K290	P287-L289 PolarHBondContact O-N 2.8Å; P287-K290 PolarHBondContact O-N 2.79Å
288	T	38.3	Very low	47.5	Very low	95 Å²	95	102.1 Å²	102.1	58%	0.583	55%	0.548	S	S	*	.	H	α-helix	trans	-55.3	-32.1	174	38.8	0	0	0	0	113.9	N286 K290 K291 T292	N286-T288 PolarHBondContact O-N 2.73Å; N286-T288 VanDerWaalsContact O-N 3.17Å; T288-K290 VanDerWaalsContact C-N 3.33Å; T288-K290 PolarHBondContact O-N 2.84Å; T288-K291 PolarHBondContact O-N 2.74Å; T288-T292 PolarHBondContact O-OG1 2.79Å
289	L	34.2	Very low	45	Very low	116 Å²	116	102.1 Å²	102.1	61%	0.607	56%	0.556	S	S	*	*	H	α-helix	trans	-72.8	-24.8	-177	-160.8	143.7	0	0	0	112.9	N286 P287 K291 L293	N286-L289 PolarHBondContact O-N 2.71Å; P287-L289 PolarHBondContact O-N 2.8Å; L289-K291 VanDerWaalsContact C-N 3.28Å; L289-K291 PolarHBondContact O-N 3.46Å; L289-L293 PolarHBondContact O-N 3.22Å
290	K	38.8	Very low	42.6	Very low	133 Å²	133	111.4 Å²	111.4	58%	0.578	59%	0.594	S	S	*	*	H	α-helix	trans	-57.4	-43.1	170.4	-77.9	-175.2	173.4	178	0	110.8	P287 T288 M294	P287-K290 PolarHBondContact O-N 2.79Å; T288-K290 VanDerWaalsContact C-N 3.33Å; T288-K290 PolarHBondContact O-N 2.84Å; K290-M294 HydrophobicContact CB-SD 4.38Å; K290-M294 WeakPolarHBondContact O-CB 3.26Å; K290-M294 VanDerWaalsContact O-CG 3.23Å; K290-M294 WeakPolarHBondContact O-CG 3.46Å; K290-M294 PolarHBondContact O-N 3.42Å
291	K	36.7	Very low	40.5	Very low	129 Å²	129	109.7 Å²	109.7	56%	0.561	60%	0.6	S	S	*	*	H	α-helix	trans	-64.8	-53.3	-177.9	-168.2	171	-175.8	180	0	112	T288 L289 L293 M294 E295	T288-K291 PolarHBondContact O-N 2.74Å; L289-K291 VanDerWaalsContact C-N 3.28Å; L289-K291 PolarHBondContact O-N 3.46Å; K291-L293 PolarHBondContact O-N 3.06Å; K291-L293 VanDerWaalsContact O-N 3.14Å; K291-M294 PolarHBondContact O-N 2.91Å; K291-E295 WeakPolarHBondContact CE-OE1 3.37Å; K291-E295 WeakPolarHBondContact CE-OE2 3.48Å; K291-E295 HydrophobicContact CG-CG 4.31Å; K291-E295 WeakPolarHBondContact CG-OE2 3.49Å; K291-E295 IonicContact NZ-OE1 3.39Å; K291-E295 WeakPolarHBondContact O-CG 3.36Å; K291-E295 PolarHBondContact O-N 3.24Å
292	T	36.8	Very low	39	Very low	84 Å²	84	111.7 Å²	111.7	52%	0.515	62%	0.621	S	S	.	*	H	α-helix	trans	-65.2	-19.3	-176	-36.4	0	0	0	0	114.3	T288	T288-T292 PolarHBondContact O-OG1 2.79Å
293	L	38.3	Very low	37.8	Very low	102 Å²	102	117.1 Å²	117.1	53%	0.534	63%	0.634	S	S	.	*	H	α-helix	trans	-95.3	-38.3	176.4	-168.6	61.6	0	0	0	112.6	L289 K291 L361	L289-L293 PolarHBondContact O-N 3.22Å; K291-L293 PolarHBondContact O-N 3.06Å; K291-L293 VanDerWaalsContact O-N 3.14Å; L293-L361 HydrophobicContact CD2-CD2 4.36Å
294	M	44.3	Very low	37.2	Very low	145 Å²	145	121 Å²	121	71%	0.714	65%	0.653	S	S	*	*	H	α-helix	trans	-69.6	-37.9	177.7	-72	171.4	62	0	0	112.7	K290 K291 R296 G297	K290-M294 HydrophobicContact CB-SD 4.38Å; K290-M294 WeakPolarHBondContact O-CB 3.26Å; K290-M294 VanDerWaalsContact O-CG 3.23Å; K290-M294 WeakPolarHBondContact O-CG 3.46Å; K290-M294 PolarHBondContact O-N 3.42Å; K291-M294 PolarHBondContact O-N 2.91Å; M294-R296 PolarHBondContact O-N 3.4Å; M294-G297 PolarHBondContact O-N 2.95Å
295	E	42.2	Very low	36.2	Very low	133 Å²	133	125.3 Å²	125.3	62%	0.621	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	-8.2	-178.7	-68.8	178.7	159.4	0	0	113.8	K291	K291-E295 WeakPolarHBondContact CE-OE1 3.37Å; K291-E295 WeakPolarHBondContact CE-OE2 3.48Å; K291-E295 HydrophobicContact CG-CG 4.31Å; K291-E295 WeakPolarHBondContact CG-OE2 3.49Å; K291-E295 IonicContact NZ-OE1 3.39Å; K291-E295 WeakPolarHBondContact O-CG 3.36Å; K291-E295 PolarHBondContact O-N 3.24Å
296	R	40.5	Very low	35.9	Very low	202 Å²	202	127.5 Å²	127.5	76%	0.762	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	0.9	177.9	-94.8	-175.4	165.3	105.6	-1.9	114.9	M294	M294-R296 PolarHBondContact O-N 3.4Å
297	G	39.9	Very low	35.9	Very low	72 Å²	72	131.5 Å²	131.5	74%	0.742	72%	0.717	S	S	*	*	S	Bend	trans	-87.5	-0.6	-171.7	0	0	0	0	0	117	M294	M294-G297 PolarHBondContact O-N 2.95Å
298	N	35	Very low	35.7	Very low	142 Å²	142	129.4 Å²	129.4	76%	0.759	71%	0.714	S	S	*	*	S	Bend	trans	-137.7	149.5	-171.6	-160.4	20.4	0	0	0	113.4
299	S	36.8	Very low	35.6	Very low	100 Å²	100	130.7 Å²	130.7	70%	0.699	73%	0.727	S	S	*	*	S	Bend	trans	52.2	99.1	174.7	51.9	0	0	0	0	119.1
300	K	36.8	Very low	35.6	Very low	207 Å²	207	135.5 Å²	135.5	90%	0.9	74%	0.737	S	S	*	*			trans	30.2	125.5	134.2	-60.4	178.8	-179.9	178.6	0	120.5
301	S	30	Very low	35.5	Very low	110 Å²	110	134.8 Å²	134.8	77%	0.769	74%	0.74	S	S	*	*			trans	-54.4	167.9	160.2	54.6	0	0	0	0	114.9
302	P	35.9	Very low	35.5	Very low	119 Å²	119	137.6 Å²	137.6	77%	0.773	76%	0.755	S	S	*	*			cis	-142.2	-170.2	25.6	44.2	-24.7	0	0	0	118.1
303	F	28.5	Very low	35.6	Very low	197 Å²	197	138.5 Å²	138.5	86%	0.864	77%	0.765	S	S	*	*			trans	-40.3	143.4	168.2	-85	-119.2	0	0	0	114.7
304	T	32.1	Very low	35.7	Very low	136 Å²	136	140.4 Å²	140.4	83%	0.834	78%	0.78	S	S	*	*				-162.6	145.3	129.6	-79.8	0	0	0	0	109.5
305	L	27.6	Very low	35.3	Very low	167 Å²	167	137.6 Å²	137.6	87%	0.874	79%	0.789	S	S	*	*			trans	-80.9	122.6	172.7	-76.1	157.6	0	0	0	109.8
306	A	32.1	Very low	35.2	Very low	102 Å²	102	135 Å²	135	84%	0.843	80%	0.798	S	S	*	*			trans	-111.9	97.1	176.5	0	0	0	0	0	110.7
307	I	33.3	Very low	35.2	Very low	169 Å²	169	132.8 Å²	132.8	87%	0.867	80%	0.801	S	S	*	*			trans	-90.8	127.3	165	-64.1	172	0	0	0	107.4
308	G	31.9	Very low	35.5	Very low	58 Å²	58	134.9 Å²	134.9	60%	0.598	80%	0.804	S	S	*	*			trans	83.6	119.6	156.7	0	0	0	0	0	117.5
309	S	36	Very low	35.8	Very low	121 Å²	121	136.4 Å²	136.4	85%	0.846	81%	0.807	S	S	*	*				68.8	107.9	126.6	-53.5	0	0	0	0	120.5
310	R	34.8	Very low	36.1	Very low	217 Å²	217	136.9 Å²	136.9	82%	0.819	81%	0.805	S	S	*	*				105.6	117.8	114.4	-156.3	168.6	-168.3	164.3	2.9	119.9
311	D	36.7	Very low	36.3	Very low	119 Å²	119	132 Å²	132	64%	0.636	80%	0.798	S	S	*	*			trans	49	116.9	144	-43.3	-14.7	0	0	0	122.1
312	E	37	Very low	36.9	Very low	187 Å²	187	131.1 Å²	131.1	87%	0.874	80%	0.797	S	S	*	*			trans	23.4	130.4	143.1	-49	-171.3	101.2	0	0	120.5
313	S	37.9	Very low	37.1	Very low	104 Å²	104	133.3 Å²	133.3	73%	0.727	80%	0.801	S	S	*	*				170	157.2	67.9	41.7	0	0	0	0	114.6
314	T	39.5	Very low	37.8	Very low	141 Å²	141	133.2 Å²	133.2	87%	0.865	80%	0.801	S	S	*	*			trans	58.7	120.1	154.2	54.7	0	0	0	0	124.2
315	G	37.1	Very low	37.9	Very low	87 Å²	87	136.1 Å²	136.1	90%	0.897	80%	0.804	S	S	*	*				110.4	136.2	118	0	0	0	0	0	121
316	G	40.3	Very low	38.5	Very low	79 Å²	79	132 Å²	132	81%	0.814	80%	0.803	S	S	*	*			trans	122.6	93.7	148.5	0	0	0	0	0	118.9
317	D	40.5	Very low	38.7	Very low	155 Å²	155	131.3 Å²	131.3	83%	0.829	81%	0.805	S	S	*	*			trans	-73.3	179.1	-177.2	-45.7	-76.7	0	0	0	117.4
318	S	45.1	Very low	39.1	Very low	115 Å²	115	127.1 Å²	127.1	80%	0.804	80%	0.804	S	S	*	*			trans	84.5	152.3	158.7	-38.6	0	0	0	0	118.9
319	E	41.1	Very low	39.7	Very low	175 Å²	175	131.7 Å²	131.7	82%	0.818	81%	0.814	S	S	*	*			cis	-166.2	173.2	-39.1	-138.1	-166.9	126.5	0	0	110.6
320	V	43.4	Very low	40.6	Very low	109 Å²	109	130.7 Å²	130.7	66%	0.661	81%	0.805	S	S	*	*			trans	67.6	101.5	148.7	170.6	0	0	0	0	122.6
321	S	41.2	Very low	41	Very low	106 Å²	106	127.6 Å²	127.6	74%	0.741	80%	0.8	S	S	*	*				71.1	112.1	117.7	-53.1	0	0	0	0	126.5
322	A	42.4	Very low	41.3	Very low	91 Å²	91	128.4 Å²	128.4	75%	0.752	80%	0.804	S	S	*	*				77.7	169.5	113.7	0	0	0	0	0	123.2
323	L	41.3	Very low	41.4	Very low	165 Å²	165	129.7 Å²	129.7	86%	0.864	80%	0.801	S	S	*	*			trans	78.4	140.1	176.3	-58.3	176.3	0	0	0	116.3
324	K	43	Very low	41.7	Very low	195 Å²	195	135 Å²	135	85%	0.848	81%	0.81	S	S	*	*			cis	-160.6	159.2	-11.8	-172.8	173.8	-178.7	-179.1	0	110.1
325	E	34.3	Very low	41.7	Very low	196 Å²	196	137.8 Å²	137.8	92%	0.916	81%	0.811	S	S	*	*			trans	-83.6	164.2	-179.2	-60.6	-174.6	133	0	0	116.1
326	G	38.8	Very low	42.1	Very low	82 Å²	82	139.3 Å²	139.3	85%	0.845	81%	0.807	S	S	*	*			trans	136	136.3	166.4	0	0	0	0	0	112.2
327	G	36.6	Very low	42.1	Very low	86 Å²	86	141.2 Å²	141.2	89%	0.887	81%	0.806	S	S	*	*			cis	148.2	119.8	-2.9	0	0	0	0	0	110.7
328	G	41.9	Very low	41.9	Very low	81 Å²	81	139.1 Å²	139.1	84%	0.835	80%	0.803	S	S	*	*			trans	172.1	136.5	-180	0	0	0	0	0	113.3
329	D	44.8	Very low	41.9	Very low	154 Å²	154	141.5 Å²	141.5	82%	0.824	81%	0.805	S	S	*	*			trans	-133.9	-166.1	-172.8	-153.6	27.7	0	0	0	109.2
330	P	54.6	Low	41.5	Very low	101 Å²	101	137 Å²	137	66%	0.656	81%	0.805	S	S	*	*				-123.8	-164.1	-102.2	40.8	-25.6	0	0	0	116.1
331	E	42.6	Very low	41.2	Very low	151 Å²	151	135.2 Å²	135.2	71%	0.706	81%	0.809	S	S	*	*			trans	85.2	119.7	155.3	-141.7	-164	153.1	0	0	119.7
332	L	44.1	Very low	40.9	Very low	137 Å²	137	139.8 Å²	139.8	72%	0.717	82%	0.821	S	S	*	*				169.1	120.4	112.3	-88.9	168.9	0	0	0	115.9
333	R	39.3	Very low	40.5	Very low	214 Å²	214	140.9 Å²	140.9	81%	0.808	82%	0.823	S	S	*	*			trans	13	131.4	148.1	-59.2	173.6	175.9	-165.4	-2.6	121
334	K	44.3	Very low	40.5	Very low	215 Å²	215	141.4 Å²	141.4	94%	0.935	82%	0.823	S	S	*	*				-165.2	166.5	113.5	-104.3	156.2	-172.1	174	0	113
335	K	40.2	Very low	40.1	Very low	200 Å²	200	139.3 Å²	139.3	87%	0.87	82%	0.822	S	S	*	*			trans	-102.7	152.2	-171.1	-54.8	176.7	-179.4	179.9	0	112.5
336	S	44.3	Very low	40.2	Very low	118 Å²	118	139 Å²	139	83%	0.825	82%	0.82	S	S	*	*				-173.7	160	120.2	-88.8	0	0	0	0	111.5
337	P	40.2	Very low	40	Very low	120 Å²	120	140.1 Å²	140.1	78%	0.779	82%	0.815	S	S	*	*			trans	-119	177.3	-158.6	42.4	-32.2	0	0	0	116.4
338	S	37.4	Very low	39.8	Very low	110 Å²	110	141.1 Å²	141.1	77%	0.769	81%	0.808	S	S	*	*			trans	85.2	110	161.5	-159	0	0	0	0	118.3
339	I	43.7	Very low	39.5	Very low	166 Å²	166	142.5 Å²	142.5	85%	0.851	80%	0.8	S	S	*	*				-163.5	148	113.8	-95.8	156.2	0	0	0	107.6
340	G	32.8	Very low	39.2	Very low	80 Å²	80	144.4 Å²	144.4	83%	0.825	80%	0.801	S	S	*	*			trans	-76.9	129.5	-175.8	0	0	0	0	0	113.2
341	G	37.2	Very low	38.2	Very low	71 Å²	71	148.1 Å²	148.1	73%	0.732	81%	0.807	S	S	*	*			trans	-135.5	122.7	169.9	0	0	0	0	0	110.4	S343	G341-S343 PolarHBondContact O-N 3.3Å
342	M	34.5	Very low	38.1	Very low	202 Å²	202	143.6 Å²	143.6	100%	0.995	79%	0.791	S	S	*	*			trans	-78.5	99.7	177.8	-64.5	166.3	75.9	0	0	109
343	S	35.7	Very low	38.7	Very low	115 Å²	115	143.4 Å²	143.4	80%	0.804	79%	0.786	S	S	*	*			trans	-98.5	139.1	173.5	-167	0	0	0	0	110.6	G341	G341-S343 PolarHBondContact O-N 3.3Å
344	M	39.5	Very low	39.1	Very low	176 Å²	176	137.6 Å²	137.6	87%	0.867	77%	0.774	S	S	*	*			trans	-73.3	135.4	177.9	-66.9	-145.8	-121.2	0	0	110.9	E346	M344-E346 PolarHBondContact O-N 3.02Å; M344-E346 VanDerWaalsContact O-N 3.13Å
345	N	35.6	Very low	39.3	Very low	151 Å²	151	129.6 Å²	129.6	81%	0.807	75%	0.749	S	S	*	*			trans	-77.6	92.8	174.1	52.9	-35.4	0	0	0	110.3	S347	N345-S347 PolarHBondContact O-N 3.14Å
346	E	35.3	Very low	39.7	Very low	189 Å²	189	125.3 Å²	125.3	88%	0.883	73%	0.731	S	S	*	*			trans	-55.6	107.8	162.9	-74.2	-165.4	124.3	0	0	109.4	M344 S348	M344-E346 PolarHBondContact O-N 3.02Å; M344-E346 VanDerWaalsContact O-N 3.13Å; E346-S348 PolarHBondContact O-N 3.32Å
347	S	36.4	Very low	39.8	Very low	106 Å²	106	123.5 Å²	123.5	74%	0.741	71%	0.712	S	S	*	*			trans	-72.9	74.7	172.9	40.9	0	0	0	0	109.5	N345 V349	N345-S347 PolarHBondContact O-N 3.14Å; S347-V349 PolarHBondContact O-N 3.25Å
348	S	31.9	Very low	40.2	Very low	107 Å²	107	123.8 Å²	123.8	75%	0.748	70%	0.701	S	S	*	*			trans	-50.1	105.9	-176.6	-169.2	0	0	0	0	111	E346 K350	E346-S348 PolarHBondContact O-N 3.32Å; S348-K350 PolarHBondContact O-N 3.26Å
349	V	35.2	Very low	41	Very low	109 Å²	109	123.3 Å²	123.3	66%	0.661	69%	0.69	S	S	*	*			trans	-71.1	97.3	-179.5	178.1	0	0	0	0	107.6	S347 F351	S347-V349 PolarHBondContact O-N 3.25Å; V349-F351 WeakPolarHBondContact O-CD2 2.78Å; V349-F351 PolarHBondContact O-N 3.44Å
350	K	38.6	Very low	41.4	Very low	195 Å²	195	121.6 Å²	121.6	85%	0.848	68%	0.68	S	S	*	*			trans	-61.5	101	168.2	-79.5	-167.8	173.2	-172.4	0	108.8	S348	S348-K350 PolarHBondContact O-N 3.26Å
351	F	33.2	Very low	42.5	Very low	178 Å²	178	122 Å²	122	78%	0.781	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-60.8	131.3	162	-69.9	-90.4	0	0	0	108.1	V349	V349-F351 WeakPolarHBondContact O-CD2 2.78Å; V349-F351 PolarHBondContact O-N 3.44Å
352	P	41.2	Very low	43.6	Very low	56 Å²	56	123 Å²	123	36%	0.364	65%	0.651	S	S	.	*	P	Polyproline II helix	trans	-59.1	146	175.4	24.8	-34	0	0	0	110.3	E356 L357	P352-E356 WeakPolarHBondContact CA-OE2 3.33Å; P352-E356 HydrophobicContact CB-CB 4.14Å; P352-E356 WeakPolarHBondContact CB-OE2 3.38Å; P352-L357 HydrophobicContact CB-CD2 4.43Å; P352-L357 HydrophobicContact CB-CG 4.22Å; P352-L357 HydrophobicContact CG-CD1 4.28Å; P352-L357 HydrophobicContact CG-CD2 3.65Å; P352-L357 HydrophobicContact CG-CG 3.8Å
353	H	55.8	Low	45	Very low	133 Å²	133	117.1 Å²	117.1	62%	0.616	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-65.8	156.9	-178.1	-165.8	47.4	0	0	0	110.9	A355 E356 L357	H353-A355 PolarHBondContact O-N 2.96Å; H353-A355 VanDerWaalsContact O-N 3.13Å; H353-E356 HydrophobicContact CB-CG 4.25Å; H353-E356 PolarHBondContact N-OE2 3.29Å; H353-E356 PolarHBondContact O-N 2.72Å; H353-L357 PolarHBondContact O-N 2.92Å
354	V	47.5	Very low	46.8	Very low	92 Å²	92	115 Å²	115	56%	0.558	61%	0.605	S	S	*	*	H	α-helix	trans	-62.4	-25.6	-176.5	-179.1	0	0	0	0	111.9	K358	V354-K358 VanDerWaalsContact O-CG 3.29Å; V354-K358 WeakPolarHBondContact O-CG 3.29Å; V354-K358 PolarHBondContact O-N 3.48Å; V354-K358 VanDerWaalsContact O-N 3.17Å
355	A	49.6	Very low	48.8	Very low	48 Å²	48	109 Å²	109	40%	0.397	58%	0.583	S	S	.	*	H	α-helix	trans	-66	-56.7	168.4	0	0	0	0	0	111.8	H353 L357 K358 D359	H353-A355 PolarHBondContact O-N 2.96Å; H353-A355 VanDerWaalsContact O-N 3.13Å; A355-L357 PolarHBondContact O-N 3.18Å; A355-K358 CarbonylContact O-C 3.58Å; A355-K358 WeakPolarHBondContact O-CA 3.42Å; A355-K358 WeakPolarHBondContact O-CB 3.27Å; A355-K358 PolarHBondContact O-N 2.64Å; A355-D359 PolarHBondContact O-N 2.86Å
356	E	47.8	Very low	51.3	Low	109 Å²	109	107.3 Å²	107.3	51%	0.509	57%	0.571	S	S	.	*	H	α-helix	trans	-54.3	-39.9	178.6	-59.3	174.2	143.8	0	0	112.1	P352 H353 D359 M360	P352-E356 WeakPolarHBondContact CA-OE2 3.33Å; P352-E356 HydrophobicContact CB-CB 4.14Å; P352-E356 WeakPolarHBondContact CB-OE2 3.38Å; H353-E356 HydrophobicContact CB-CG 4.25Å; H353-E356 PolarHBondContact N-OE2 3.29Å; H353-E356 PolarHBondContact O-N 2.72Å; E356-D359 PolarHBondContact O-N 2.98Å; E356-M360 WeakPolarHBondContact O-CB 3.48Å; E356-M360 VanDerWaalsContact O-CG 3.24Å; E356-M360 WeakPolarHBondContact O-CG 3.33Å; E356-M360 PolarHBondContact O-N 3.27Å
357	L	46.5	Very low	53.9	Low	80 Å²	80	98.6 Å²	98.6	42%	0.419	53%	0.53	S	S	.	.	H	α-helix	trans	-65.7	-39.3	174.3	-76.2	173.4	0	0	0	113.1	P352 H353 A355 L361	P352-L357 HydrophobicContact CB-CD2 4.43Å; P352-L357 HydrophobicContact CB-CG 4.22Å; P352-L357 HydrophobicContact CG-CD1 4.28Å; P352-L357 HydrophobicContact CG-CD2 3.65Å; P352-L357 HydrophobicContact CG-CG 3.8Å; H353-L357 PolarHBondContact O-N 2.92Å; A355-L357 PolarHBondContact O-N 3.18Å; L357-L361 WeakPolarHBondContact O-CB 3.28Å; L357-L361 WeakPolarHBondContact O-CD1 3.44Å; L357-L361 WeakPolarHBondContact O-CG 3.12Å; L357-L361 PolarHBondContact O-N 2.68Å
358	K	49.6	Very low	56.2	Low	127 Å²	127	94.7 Å²	94.7	55%	0.552	50%	0.501	S	S	*	.	H	α-helix	trans	-65.9	-43.9	173.9	-77.6	173.8	178.2	-175.6	0	111.1	V354 A355 M360 L361 N362	V354-K358 VanDerWaalsContact O-CG 3.29Å; V354-K358 WeakPolarHBondContact O-CG 3.29Å; V354-K358 PolarHBondContact O-N 3.48Å; V354-K358 VanDerWaalsContact O-N 3.17Å; A355-K358 CarbonylContact O-C 3.58Å; A355-K358 WeakPolarHBondContact O-CA 3.42Å; A355-K358 WeakPolarHBondContact O-CB 3.27Å; A355-K358 PolarHBondContact O-N 2.64Å; K358-M360 PolarHBondContact O-N 3.21Å; K358-L361 PolarHBondContact O-N 2.95Å; K358-N362 WeakPolarHBondContact O-CB 3.38Å; K358-N362 PolarHBondContact O-N 2.98Å; K358-N362 PolarHBondContact O-ND2 3.37Å; K358-N362 PolarHBondContact O-OD1 3.49Å
359	D	54.4	Low	59	Low	100 Å²	100	93.6 Å²	93.6	54%	0.535	49%	0.489	S	S	.	.	H	α-helix	trans	-65.7	-41.2	-179.5	-60	-27.8	0	0	0	111.1	A355 E356 L361 N362 F363	A355-D359 PolarHBondContact O-N 2.86Å; E356-D359 PolarHBondContact O-N 2.98Å; D359-L361 PolarHBondContact O-N 2.69Å; D359-N362 PolarHBondContact O-N 2.64Å; D359-F363 WeakPolarHBondContact O-CB 3.04Å; D359-F363 PolarHBondContact O-N 3.41Å
360	M	51.6	Low	61.8	Low	129 Å²	129	89.8 Å²	89.8	64%	0.635	47%	0.465	S	S	*	.	H	α-helix	trans	-63.3	-37.8	171.7	-73.2	-179.2	72.2	0	0	113.2	E356 K358 S364	E356-M360 WeakPolarHBondContact O-CB 3.48Å; E356-M360 VanDerWaalsContact O-CG 3.24Å; E356-M360 WeakPolarHBondContact O-CG 3.33Å; E356-M360 PolarHBondContact O-N 3.27Å; K358-M360 PolarHBondContact O-N 3.21Å; M360-S364 VanDerWaalsContact O-CB 3.22Å; M360-S364 WeakPolarHBondContact O-CB 3.36Å; M360-S364 PolarHBondContact O-N 3.29Å
361	L	55.3	Low	64.3	Low	90 Å²	90	80.6 Å²	80.6	47%	0.471	43%	0.425	S	S	.	.	H	α-helix	trans	-70.9	-39.7	176.2	-73.7	167.8	0	0	0	111.9	L293 L357 K358 D359 S364 A365	L293-L361 HydrophobicContact CD2-CD2 4.36Å; L357-L361 WeakPolarHBondContact O-CB 3.28Å; L357-L361 WeakPolarHBondContact O-CD1 3.44Å; L357-L361 WeakPolarHBondContact O-CG 3.12Å; L357-L361 PolarHBondContact O-N 2.68Å; K358-L361 PolarHBondContact O-N 2.95Å; D359-L361 PolarHBondContact O-N 2.69Å; L361-S364 CarbonylContact O-C 3.56Å; L361-S364 PolarHBondContact O-N 3.21Å; L361-A365 PolarHBondContact O-N 2.94Å
362	N	60.4	Low	67	Low	91 Å²	91	77.1 Å²	77.1	49%	0.487	41%	0.411	S	S	.	.	H	α-helix	trans	-64.5	-49.4	176.2	-69.7	-16.7	0	0	0	110.8	K358 D359 S364 A365 E366	K358-N362 WeakPolarHBondContact O-CB 3.38Å; K358-N362 PolarHBondContact O-N 2.98Å; K358-N362 PolarHBondContact O-ND2 3.37Å; K358-N362 PolarHBondContact O-OD1 3.49Å; D359-N362 PolarHBondContact O-N 2.64Å; N362-S364 VanDerWaalsContact C-N 3.27Å; N362-S364 PolarHBondContact O-N 2.81Å; N362-A365 WeakPolarHBondContact O-CA 3.3Å; N362-A365 WeakPolarHBondContact O-CB 3.39Å; N362-A365 PolarHBondContact O-N 2.89Å; N362-E366 PolarHBondContact O-N 2.9Å
363	F	64.5	Low	69.6	Low	79 Å²	79	78 Å²	78	35%	0.346	41%	0.407	S	S	.	.	H	α-helix	trans	-61	-38.3	175.9	-160.9	-81.7	0	0	0	111.5	D275 L278 D359 A365 E366 V367	D275-F363 HydrophobicContact CB-CE1 4.17Å; D275-F363 HydrophobicContact CB-CZ 3.91Å; L278-F363 HydrophobicContact CD1-CD1 3.85Å; L278-F363 HydrophobicContact CD1-CE1 3.54Å; L278-F363 HydrophobicContact CD1-CZ 4.47Å; L278-F363 HydrophobicContact CG-CE1 4.18Å; D359-F363 WeakPolarHBondContact O-CB 3.04Å; D359-F363 PolarHBondContact O-N 3.41Å; F363-A365 PolarHBondContact O-N 2.87Å; F363-E366 PolarHBondContact O-N 2.86Å; F363-V367 HydrophobicContact CD1-CG2 3.73Å; F363-V367 HydrophobicContact CE1-CG2 3.51Å; F363-V367 HydrophobicContact CZ-CG2 4.42Å; F363-V367 WeakPolarHBondContact O-CB 3.29Å; F363-V367 WeakPolarHBondContact O-CG2 3.38Å; F363-V367 PolarHBondContact O-N 3.25Å
364	S	73.1	Confident	71.5	Confident	70 Å²	70	71.7 Å²	71.7	49%	0.49	38%	0.378	S	S	.	.	H	α-helix	trans	-67.1	-21.5	173.2	-174.2	0	0	0	0	113.5	M360 L361 N362 Q368	M360-S364 VanDerWaalsContact O-CB 3.22Å; M360-S364 WeakPolarHBondContact O-CB 3.36Å; M360-S364 PolarHBondContact O-N 3.29Å; L361-S364 CarbonylContact O-C 3.56Å; L361-S364 PolarHBondContact O-N 3.21Å; N362-S364 VanDerWaalsContact C-N 3.27Å; N362-S364 PolarHBondContact O-N 2.81Å; S364-Q368 VanDerWaalsContact O-CB 3.32Å; S364-Q368 WeakPolarHBondContact O-CB 3.46Å; S364-Q368 PolarHBondContact O-N 2.93Å
365	A	81.1	Confident	73.7	Confident	49 Å²	49	69.9 Å²	69.9	41%	0.405	36%	0.362	S	S	.	.	H	α-helix	trans	-83.7	-46.7	173.8	0	0	0	0	0	111.3	L361 N362 F363 V367 Q368 T369	L361-A365 PolarHBondContact O-N 2.94Å; N362-A365 WeakPolarHBondContact O-CA 3.3Å; N362-A365 WeakPolarHBondContact O-CB 3.39Å; N362-A365 PolarHBondContact O-N 2.89Å; F363-A365 PolarHBondContact O-N 2.87Å; A365-V367 PolarHBondContact O-N 3.47Å; A365-Q368 WeakPolarHBondContact O-CB 3.3Å; A365-Q368 PolarHBondContact O-N 2.85Å; A365-Q368 VanDerWaalsContact O-N 3.09Å; A365-T369 PolarHBondContact O-N 3.47Å; A365-T369 PolarHBondContact O-OG1 2.69Å
366	E	87.6	Confident	75.7	Confident	116 Å²	116	72.4 Å²	72.4	54%	0.542	37%	0.366	S	S	.	.	H	α-helix	trans	-57.3	-47.9	175.8	-69.9	174.1	-172.5	0	0	111.9	N362 F363 Q368 T369 E370	N362-E366 PolarHBondContact O-N 2.9Å; F363-E366 PolarHBondContact O-N 2.86Å; E366-Q368 VanDerWaalsContact C-N 3.31Å; E366-Q368 PolarHBondContact O-N 3.46Å; E366-T369 PolarHBondContact O-N 2.78Å; E366-E370 PolarHBondContact O-N 3.01Å
367	V	90.4	Very high	78	Confident	6 Å²	6	69.2 Å²	69.2	4%	0.036	35%	0.352	C	S	.	.	H	α-helix	trans	-58.8	-43	173.9	167.1	0	0	0	0	111.2	A274 A279 F363 A365 E370 I371	A274-V367 HydrophobicContact CB-CG2 3.87Å; A279-V367 HydrophobicContact CB-CG1 3.78Å; F363-V367 HydrophobicContact CD1-CG2 3.73Å; F363-V367 HydrophobicContact CE1-CG2 3.51Å; F363-V367 HydrophobicContact CZ-CG2 4.42Å; F363-V367 WeakPolarHBondContact O-CB 3.29Å; F363-V367 WeakPolarHBondContact O-CG2 3.38Å; F363-V367 PolarHBondContact O-N 3.25Å; A365-V367 PolarHBondContact O-N 3.47Å; V367-E370 PolarHBondContact O-N 2.64Å; V367-I371 VanDerWaalsContact O-CG1 3.31Å; V367-I371 WeakPolarHBondContact O-CG1 3.36Å; V367-I371 PolarHBondContact O-N 3.39Å
368	Q	84.7	Confident	80.3	Confident	24 Å²	24	65.4 Å²	65.4	11%	0.112	33%	0.333	C	S	.	.	H	α-helix	trans	-66	-38.8	179.6	179.8	60.6	30.6	0	0	112.1	S364 A365 E366 I371 E372	S364-Q368 VanDerWaalsContact O-CB 3.32Å; S364-Q368 WeakPolarHBondContact O-CB 3.46Å; S364-Q368 PolarHBondContact O-N 2.93Å; A365-Q368 WeakPolarHBondContact O-CB 3.3Å; A365-Q368 PolarHBondContact O-N 2.85Å; A365-Q368 VanDerWaalsContact O-N 3.09Å; E366-Q368 VanDerWaalsContact C-N 3.31Å; E366-Q368 PolarHBondContact O-N 3.46Å; Q368-I371 PolarHBondContact O-N 3.09Å; Q368-E372 WeakPolarHBondContact CG-OE1 3.39Å; Q368-E372 PolarHBondContact NE2-OE1 3.21Å; Q368-E372 WeakPolarHBondContact O-CG 3.29Å; Q368-E372 PolarHBondContact O-N 2.96Å
369	T	91	Very high	82.2	Confident	84 Å²	84	66.9 Å²	66.9	52%	0.515	33%	0.334	S	S	.	.	H	α-helix	trans	-63.5	-40.8	174.4	-61.7	0	0	0	0	111.9	A365 E366 E372 R373	A365-T369 PolarHBondContact O-N 3.47Å; A365-T369 PolarHBondContact O-OG1 2.69Å; E366-T369 PolarHBondContact O-N 2.78Å; T369-E372 PolarHBondContact O-N 3.28Å; T369-R373 WeakPolarHBondContact O-CB 3.46Å; T369-R373 PolarHBondContact O-N 3.22Å
370	E	93.7	Very high	84	Confident	30 Å²	30	64.7 Å²	64.7	14%	0.14	33%	0.327	C	S	.	.	H	α-helix	trans	-64.9	-38.5	174	-74.3	-70.5	83	0	0	112.3	A274 I276 E366 V367 R373 I374	A274-E370 HydrophobicContact CB-CG 3.95Å; I276-E370 HydrophobicContact CG2-CB 4.16Å; E366-E370 PolarHBondContact O-N 3.01Å; V367-E370 PolarHBondContact O-N 2.64Å; E370-R373 VanDerWaalsContact CD-NH2 3.29Å; E370-R373 PolarHBondContact O-N 2.74Å; E370-R373 IonicContact OE1-CZ 2.69Å; E370-R373 VanDerWaalsContact OE1-CZ 3.29Å; E370-R373 IonicContact OE1-NE 3.36Å; E370-R373 PolarHBondContact OE1-NE 2.9Å; E370-R373 IonicContact OE1-NH2 3.99Å; E370-R373 PolarHBondContact OE1-NH2 2.86Å; E370-R373 IonicContact OE2-CZ 3.36Å; E370-R373 IonicContact OE2-NE 3.65Å; E370-R373 IonicContact OE2-NH2 3.63Å; E370-R373 PolarHBondContact OE2-NH2 2.87Å; E370-I374 WeakPolarHBondContact O-CD1 3.47Å; E370-I374 VanDerWaalsContact O-CG1 3.25Å; E370-I374 WeakPolarHBondContact O-CG1 3.18Å; E370-I374 PolarHBondContact O-N 2.76Å
371	I	90.9	Very high	86.1	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-62.7	-48.7	173.4	-63.6	-66.9	0	0	0	110.9	I276 A279 I284 V367 Q368 R373 I374 F375 L402	I276-I371 HydrophobicContact CB-CD1 4.19Å; I276-I371 HydrophobicContact CG2-CD1 4.1Å; A279-I371 HydrophobicContact CB-CD1 3.84Å; A279-I371 HydrophobicContact CB-CG1 3.82Å; I284-I371 HydrophobicContact CD1-CG2 3.97Å; V367-I371 VanDerWaalsContact O-CG1 3.31Å; V367-I371 WeakPolarHBondContact O-CG1 3.36Å; V367-I371 PolarHBondContact O-N 3.39Å; Q368-I371 PolarHBondContact O-N 3.09Å; I371-R373 VanDerWaalsContact C-N 3.29Å; I371-R373 PolarHBondContact O-N 3.4Å; I371-I374 PolarHBondContact O-N 2.92Å; I371-I374 VanDerWaalsContact O-N 3.14Å; I371-F375 HydrophobicContact CG2-CD2 3.97Å; I371-F375 HydrophobicContact CG2-CE2 3.97Å; I371-F375 WeakPolarHBondContact O-CD2 3.32Å; I371-F375 PolarHBondContact O-N 2.82Å; I371-L402 HydrophobicContact CD1-CD1 3.69Å; I371-L402 HydrophobicContact CD1-CD2 3.77Å; I371-L402 HydrophobicContact CD1-CG 3.75Å; I371-L402 HydrophobicContact CG2-CD2 4.29Å
372	E	90.5	Very high	88.1	Confident	105 Å²	105	59.1 Å²	59.1	49%	0.491	30%	0.297	S	S	.	.	H	α-helix	trans	-59.5	-39.4	177.9	-74.5	167.9	-165.8	0	0	111.7	Q368 T369 F375 E376	Q368-E372 WeakPolarHBondContact CG-OE1 3.39Å; Q368-E372 PolarHBondContact NE2-OE1 3.21Å; Q368-E372 WeakPolarHBondContact O-CG 3.29Å; Q368-E372 PolarHBondContact O-N 2.96Å; T369-E372 PolarHBondContact O-N 3.28Å; E372-F375 PolarHBondContact O-N 3.41Å; E372-E376 PolarHBondContact O-N 3.17Å
373	R	95.7	Very high	89.9	Confident	75 Å²	75	54.9 Å²	54.9	28%	0.283	28%	0.275	S	S	.	.	H	α-helix	trans	-62.2	-42.6	173.4	-172.7	175.2	67.7	88.3	-12.4	112.7	T270 R271 I272 T369 E370 I371 F375 E376 L377	T270-R373 PolarHBondContact OG1-NH1 2.97Å; R271-R373 PolarHBondContact O-NH2 2.9Å; I272-R373 VanDerWaalsContact CD1-NH2 3.33Å; T369-R373 WeakPolarHBondContact O-CB 3.46Å; T369-R373 PolarHBondContact O-N 3.22Å; E370-R373 VanDerWaalsContact CD-NH2 3.29Å; E370-R373 PolarHBondContact O-N 2.74Å; E370-R373 IonicContact OE1-CZ 2.69Å; E370-R373 VanDerWaalsContact OE1-CZ 3.29Å; E370-R373 IonicContact OE1-NE 3.36Å; E370-R373 PolarHBondContact OE1-NE 2.9Å; E370-R373 IonicContact OE1-NH2 3.99Å; E370-R373 PolarHBondContact OE1-NH2 2.86Å; E370-R373 IonicContact OE2-CZ 3.36Å; E370-R373 IonicContact OE2-NE 3.65Å; E370-R373 IonicContact OE2-NH2 3.63Å; E370-R373 PolarHBondContact OE2-NH2 2.87Å; I371-R373 VanDerWaalsContact C-N 3.29Å; I371-R373 PolarHBondContact O-N 3.4Å; R373-F375 VanDerWaalsContact C-N 3.34Å; R373-F375 PolarHBondContact O-N 2.99Å; R373-E376 PolarHBondContact O-N 2.86Å; R373-L377 WeakPolarHBondContact O-CG 3.37Å; R373-L377 PolarHBondContact O-N 2.61Å
374	I	96	Very high	91.6	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-63.6	-40.2	177.1	-66.5	158.8	0	0	0	111	P230 P234 I272 E370 I371 A378 L386 L402	P230-I374 HydrophobicContact CG-CG2 4.5Å; P234-I374 HydrophobicContact CB-CG2 4.21Å; P234-I374 HydrophobicContact CG-CG2 4.15Å; I272-I374 HydrophobicContact CD1-CD1 3.99Å; I272-I374 HydrophobicContact CD1-CG1 4.14Å; E370-I374 WeakPolarHBondContact O-CD1 3.47Å; E370-I374 VanDerWaalsContact O-CG1 3.25Å; E370-I374 WeakPolarHBondContact O-CG1 3.18Å; E370-I374 PolarHBondContact O-N 2.76Å; I371-I374 PolarHBondContact O-N 2.92Å; I371-I374 VanDerWaalsContact O-N 3.14Å; I374-A378 WeakPolarHBondContact O-CB 3.4Å; I374-A378 PolarHBondContact O-N 2.82Å; I374-A378 VanDerWaalsContact O-N 3.08Å; I374-L386 HydrophobicContact CD1-CD1 3.76Å; I374-L386 HydrophobicContact CD1-CD2 4.33Å; I374-L386 HydrophobicContact CG1-CD1 4.26Å; I374-L386 HydrophobicContact CG1-CD2 4.01Å; I374-L386 HydrophobicContact CG2-CD1 4.37Å; I374-L386 HydrophobicContact CG2-CD2 4.44Å; I374-L402 HydrophobicContact CB-CD2 4.2Å; I374-L402 HydrophobicContact CD1-CD1 4.16Å; I374-L402 HydrophobicContact CD1-CD2 4.25Å; I374-L402 HydrophobicContact CG2-CD2 3.81Å
375	F	93.3	Very high	92.8	Very high	54 Å²	54	47.9 Å²	47.9	24%	0.237	24%	0.235	C	C	.	.	H	α-helix	trans	-62	-43.1	174.7	-92	-98.9	0	0	0	112.3	V228 P230 I371 E372 R373 A378 R379 L402	V228-F375 HydrophobicContact CG1-CE1 4.22Å; P230-F375 HydrophobicContact CG-CD1 4.28Å; P230-F375 HydrophobicContact CG-CD2 3.91Å; P230-F375 HydrophobicContact CG-CE1 4.17Å; P230-F375 HydrophobicContact CG-CE2 3.78Å; P230-F375 HydrophobicContact CG-CG 4.18Å; P230-F375 HydrophobicContact CG-CZ 3.92Å; I371-F375 HydrophobicContact CG2-CD2 3.97Å; I371-F375 HydrophobicContact CG2-CE2 3.97Å; I371-F375 WeakPolarHBondContact O-CD2 3.32Å; I371-F375 PolarHBondContact O-N 2.82Å; E372-F375 PolarHBondContact O-N 3.41Å; R373-F375 VanDerWaalsContact C-N 3.34Å; R373-F375 PolarHBondContact O-N 2.99Å; F375-A378 PolarHBondContact O-N 3.31Å; F375-R379 PolarHBondContact O-N 3.07Å; F375-R379 VanDerWaalsContact O-N 3.15Å; F375-L402 HydrophobicContact CD2-CD2 4.45Å; F375-L402 HydrophobicContact CE2-CD2 4.23Å
376	E	92.4	Very high	93.6	Very high	102 Å²	102	45.5 Å²	45.5	48%	0.477	22%	0.216	S	C	.	.	H	α-helix	trans	-68	-40.3	178.4	176.5	56.9	-167.5	0	0	112.5	E372 R373 A378 R379	E372-E376 PolarHBondContact O-N 3.17Å; R373-E376 PolarHBondContact O-N 2.86Å; E376-A378 VanDerWaalsContact C-N 3.31Å; E376-A378 PolarHBondContact O-N 2.85Å; E376-R379 VanDerWaalsContact O-CB 3.25Å; E376-R379 WeakPolarHBondContact O-CB 3.4Å; E376-R379 PolarHBondContact O-N 3.08Å; E376-R379 IonicContact OE1-CZ 2.69Å; E376-R379 IonicContact OE1-NE 2.64Å; E376-R379 PolarHBondContact OE1-NE 2.88Å; E376-R379 IonicContact OE1-NH2 2.74Å; E376-R379 PolarHBondContact OE1-NH2 2.99Å; E376-R379 WeakPolarHBondContact OE2-CD 3.43Å; E376-R379 IonicContact OE2-CZ 3.92Å; E376-R379 IonicContact OE2-NE 2.7Å; E376-R379 PolarHBondContact OE2-NE 3.43Å; E376-R379 IonicContact OE2-NH2 2.71Å
377	L	95.4	Very high	94.1	Very high	41 Å²	41	42.1 Å²	42.1	22%	0.215	20%	0.202	C	C	.	.	H	α-helix	trans	-59.2	-43.2	172.5	-69.1	-179.7	0	0	0	111.4	I268 T270 R373 R379 S380 V384	I268-L377 HydrophobicContact CD1-CD2 4.21Å; I268-L377 HydrophobicContact CG2-CD1 4.18Å; I268-L377 HydrophobicContact CG2-CD2 4.23Å; T270-L377 HydrophobicContact CG2-CD1 3.9Å; R373-L377 WeakPolarHBondContact O-CG 3.37Å; R373-L377 PolarHBondContact O-N 2.61Å; L377-R379 PolarHBondContact O-N 3Å; L377-S380 WeakPolarHBondContact O-CB 3.25Å; L377-S380 PolarHBondContact O-N 3.47Å; L377-S380 PolarHBondContact O-OG 3.32Å; L377-V384 HydrophobicContact CB-CG1 4.35Å; L377-V384 HydrophobicContact CB-CG2 3.98Å; L377-V384 HydrophobicContact CD1-CG1 4.43Å
378	A	95.3	Very high	94.4	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.008	20%	0.2	C	C	.	.	H	α-helix	trans	-68.6	-19	179.4	0	0	0	0	0	114	P230 M232 I374 F375 E376 S380 M381 V384	P230-A378 HydrophobicContact CB-CB 3.54Å; M232-A378 HydrophobicContact CB-CB 4.34Å; M232-A378 WeakPolarHBondContact O-CB 3.42Å; I374-A378 WeakPolarHBondContact O-CB 3.4Å; I374-A378 PolarHBondContact O-N 2.82Å; I374-A378 VanDerWaalsContact O-N 3.08Å; F375-A378 PolarHBondContact O-N 3.31Å; E376-A378 VanDerWaalsContact C-N 3.31Å; E376-A378 PolarHBondContact O-N 2.85Å; A378-S380 PolarHBondContact O-N 3.23Å; A378-M381 PolarHBondContact O-N 3.46Å; A378-V384 HydrophobicContact CB-CG2 4.26Å
379	R	89.6	Confident	94.8	Very high	157 Å²	157	44.2 Å²	44.2	59%	0.592	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-20.5	173.5	-164.4	-177.4	60.3	71	1	112.7	F375 E376 L377 M381	F375-R379 PolarHBondContact O-N 3.07Å; F375-R379 VanDerWaalsContact O-N 3.15Å; E376-R379 VanDerWaalsContact O-CB 3.25Å; E376-R379 WeakPolarHBondContact O-CB 3.4Å; E376-R379 PolarHBondContact O-N 3.08Å; E376-R379 IonicContact OE1-CZ 2.69Å; E376-R379 IonicContact OE1-NE 2.64Å; E376-R379 PolarHBondContact OE1-NE 2.88Å; E376-R379 IonicContact OE1-NH2 2.74Å; E376-R379 PolarHBondContact OE1-NH2 2.99Å; E376-R379 WeakPolarHBondContact OE2-CD 3.43Å; E376-R379 IonicContact OE2-CZ 3.92Å; E376-R379 IonicContact OE2-NE 2.7Å; E376-R379 PolarHBondContact OE2-NE 3.43Å; E376-R379 IonicContact OE2-NH2 2.71Å; L377-R379 PolarHBondContact O-N 3Å; R379-M381 PolarHBondContact O-N 2.89Å
380	S	91.9	Very high	95	Very high	54 Å²	54	42.6 Å²	42.6	38%	0.378	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-10.9	175.9	70.2	0	0	0	0	114.8	L377 A378 Q382	L377-S380 WeakPolarHBondContact O-CB 3.25Å; L377-S380 PolarHBondContact O-N 3.47Å; L377-S380 PolarHBondContact O-OG 3.32Å; A378-S380 PolarHBondContact O-N 3.23Å; S380-Q382 PolarHBondContact O-N 2.99Å; S380-Q382 WeakPolarHBondContact OG-CB 3.49Å; S380-Q382 PolarHBondContact OG-N 3Å
381	M	95.8	Very high	95.2	Very high	36 Å²	36	41.2 Å²	41.2	18%	0.177	20%	0.197	C	C	.	.			trans	62.6	9.2	-168.4	-61.5	-69	-58	0	0	115.2	V48 M232 A378 R379 H478	V48-M381 HydrophobicContact CB-SD 4.19Å; V48-M381 HydrophobicContact CG2-CE 4.3Å; V48-M381 HydrophobicContact CG2-SD 3.88Å; M232-M381 WeakPolarHBondContact CE-O 3.33Å; M232-M381 HydrophobicContact SD-CE 3.93Å; M232-M381 HydrophobicContact SD-SD 4.41Å; A378-M381 PolarHBondContact O-N 3.46Å; R379-M381 PolarHBondContact O-N 2.89Å; M381-H478 PolarHBondContact O-CE1 2.83Å; M381-H478 PolarHBondContact O-NE2 2.84Å
382	Q	97.6	Very high	95.5	Very high	66 Å²	66	42.4 Å²	42.4	31%	0.308	20%	0.203	S	C	.	.	S	Bend	trans	-80.8	158.4	173.2	-62.1	-174.4	6.4	0	0	112.1	M232 R266 I268 S380 V384	M232-Q382 WeakPolarHBondContact CB-O 3.49Å; M232-Q382 WeakPolarHBondContact CG-O 3.15Å; R266-Q382 WeakPolarHBondContact O-CB 3.46Å; I268-Q382 HydrophobicContact CD1-CB 4.15Å; I268-Q382 HydrophobicContact CG1-CB 4.09Å; S380-Q382 PolarHBondContact O-N 2.99Å; S380-Q382 WeakPolarHBondContact OG-CB 3.49Å; S380-Q382 PolarHBondContact OG-N 3Å; Q382-V384 PolarHBondContact O-N 2.76Å
383	L	98.4	Very high	95.9	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.016	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	116	170.4	-67.6	174.8	0	0	0	109.1	M232 F263 R266 I267 I268 Y473 W474	M232-L383 HydrophobicContact CE-CD2 4.02Å; F263-L383 HydrophobicContact CB-CD1 4.26Å; F263-L383 HydrophobicContact CD1-CD1 3.46Å; F263-L383 VanDerWaalsContact CD1-CD1 3.46Å; F263-L383 HydrophobicContact CE1-CD1 3.89Å; F263-L383 HydrophobicContact CG-CD1 3.85Å; R266-L383 PolarHBondContact O-N 2.98Å; I267-L383 CarbonylContact C-O 3.59Å; I267-L383 WeakPolarHBondContact CA-O 3.42Å; I267-L383 HydrophobicContact CB-CB 4.43Å; I267-L383 HydrophobicContact CG1-CB 4.16Å; I268-L383 PolarHBondContact N-O 2.93Å; L383-Y473 HydrophobicContact CD2-CD1 4.05Å; L383-Y473 HydrophobicContact CD2-CE1 4.46Å; L383-W474 HydrophobicContact CD1-CE3 4.44Å; L383-W474 HydrophobicContact CD2-CE3 4.25Å; L383-W474 HydrophobicContact CG-CE3 3.91Å; L383-W474 HydrophobicContact CG-CZ3 4.15Å
384	V	98.5	Very high	96	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	125.5	175.1	-177.5	0	0	0	0	108.7	P234 V235 I268 L377 A378 Q382 L386	P234-V384 CarbonylContact C-O 3.58Å; P234-V384 WeakPolarHBondContact CA-O 3.3Å; V235-V384 PolarHBondContact N-O 2.91Å; I268-V384 WeakPolarHBondContact O-CA 3.37Å; L377-V384 HydrophobicContact CB-CG1 4.35Å; L377-V384 HydrophobicContact CB-CG2 3.98Å; L377-V384 HydrophobicContact CD1-CG1 4.43Å; A378-V384 HydrophobicContact CB-CG2 4.26Å; Q382-V384 PolarHBondContact O-N 2.76Å; V384-L386 HydrophobicContact CG1-CD2 3.74Å
385	V	98.6	Very high	96	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	128.3	178.6	-174.6	0	0	0	0	109.4	V235 F256 I267 I268 I269 T270	V235-V385 HydrophobicContact CB-CB 4.43Å; V235-V385 HydrophobicContact CB-CG1 4.28Å; V235-V385 HydrophobicContact CB-CG2 4.06Å; V235-V385 HydrophobicContact CG2-CG2 4.31Å; F256-V385 HydrophobicContact CD1-CG1 3.91Å; F256-V385 HydrophobicContact CE1-CG1 3.58Å; I267-V385 HydrophobicContact CD1-CG2 3.76Å; I267-V385 HydrophobicContact CG1-CG2 3.91Å; I268-V385 PolarHBondContact O-N 3.12Å; I269-V385 WeakPolarHBondContact CA-O 3.23Å; I269-V385 HydrophobicContact CG1-CB 4.18Å; I269-V385 HydrophobicContact CG1-CG2 4.5Å; I269-V385 HydrophobicContact CG2-CB 4.42Å; T270-V385 PolarHBondContact N-O 2.77Å
386	L	98.4	Very high	96.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	114	-175.3	-48.7	-175.4	0	0	0	110.9	P234 V235 V236 T270 I272 I276 I374 V384 C388	P234-L386 HydrophobicContact CB-CD1 3.57Å; P234-L386 HydrophobicContact CB-CD2 4.25Å; P234-L386 HydrophobicContact CB-CG 3.7Å; P234-L386 HydrophobicContact CG-CD1 4.18Å; V235-L386 PolarHBondContact O-N 3.2Å; V236-L386 HydrophobicContact CG2-CB 4.31Å; V236-L386 HydrophobicContact CG2-CD1 4.28Å; T270-L386 HydrophobicContact CG2-CD2 3.7Å; T270-L386 WeakPolarHBondContact O-CA 3.32Å; I272-L386 HydrophobicContact CD1-CD2 4.15Å; I272-L386 HydrophobicContact CG1-CB 4.03Å; I272-L386 HydrophobicContact CG1-CD1 4.46Å; I272-L386 HydrophobicContact CG1-CD2 4.27Å; I272-L386 HydrophobicContact CG1-CG 4.48Å; I276-L386 HydrophobicContact CD1-CD1 4.38Å; I374-L386 HydrophobicContact CD1-CD1 3.76Å; I374-L386 HydrophobicContact CD1-CD2 4.33Å; I374-L386 HydrophobicContact CG1-CD1 4.26Å; I374-L386 HydrophobicContact CG1-CD2 4.01Å; I374-L386 HydrophobicContact CG2-CD1 4.37Å; I374-L386 HydrophobicContact CG2-CD2 4.44Å; V384-L386 HydrophobicContact CG1-CD2 3.74Å; L386-C388 VanDerWaalsContact CB-SG 3.54Å; L386-C388 PolarHBondContact O-N 3.28Å
387	D	97.7	Very high	96.2	Very high	44 Å²	44	33.7 Å²	33.7	24%	0.235	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	89.8	168	-178.7	30.8	0	0	0	108.9	F256 T270 R271 I272	F256-D387 HydrophobicContact CE2-CB 4.07Å; F256-D387 WeakPolarHBondContact CE2-OD1 3.41Å; F256-D387 HydrophobicContact CZ-CB 4.03Å; T270-D387 PolarHBondContact O-N 3.33Å; R271-D387 CarbonylContact C-O 3.6Å; R271-D387 WeakPolarHBondContact CA-O 3.24Å; R271-D387 HydrophobicContact CB-CB 4.39Å; R271-D387 HydrophobicContact CG-CB 4.45Å; R271-D387 WeakPolarHBondContact CG-O 3.4Å; I272-D387 PolarHBondContact N-O 3.13Å
388	C	96.1	Very high	96.1	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.007	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	120.1	-178.9	-52.6	0	0	0	0	110.9	K243 I272 L386 I391	K243-C388 VanDerWaalsContact CD-O 3.22Å; K243-C388 WeakPolarHBondContact CD-O 3.41Å; K243-C388 WeakPolarHBondContact CE-O 3.49Å; K243-C388 PolarHBondContact NZ-O 3.01Å; I272-C388 HydrophobicContact CB-CB 4.45Å; I272-C388 VanDerWaalsContact CG1-SG 3.58Å; L386-C388 VanDerWaalsContact CB-SG 3.54Å; L386-C388 PolarHBondContact O-N 3.28Å; C388-I391 HydrophobicContact CB-CB 4.04Å; C388-I391 HydrophobicContact CB-CG1 3.67Å
389	D	94.5	Very high	95.8	Very high	73 Å²	73	42.5 Å²	42.5	39%	0.39	22%	0.223	S	C	.	.	S	Bend	trans	-70.2	-34.6	179.1	-63.4	-47	0	0	0	112.9	R271	R271-D389 IonicContact CZ-OD2 2.77Å; R271-D389 IonicContact NE-OD1 2.71Å; R271-D389 IonicContact NE-OD2 3.27Å; R271-D389 PolarHBondContact NE-OD2 2.96Å; R271-D389 IonicContact NH2-OD1 2.62Å; R271-D389 IonicContact NH2-OD2 3.16Å; R271-D389 PolarHBondContact NH2-OD2 3.17Å
390	T	94.9	Very high	95.9	Very high	51 Å²	51	35.1 Å²	35.1	31%	0.313	20%	0.195	S	C	.	.	S	Bend	trans	-82.1	-19.6	-173.6	67	0	0	0	0	114.3	D275 N392 Q396	D275-T390 HydrophobicContact CB-CG2 4.04Å; D275-T390 WeakPolarHBondContact OD1-CB 3.24Å; D275-T390 PolarHBondContact OD1-OG1 3.37Å; T390-N392 VanDerWaalsContact C-ND2 3.32Å; T390-N392 PolarHBondContact O-N 2.99Å; T390-N392 PolarHBondContact O-ND2 2.69Å; T390-Q396 PolarHBondContact O-NE2 3.09Å
391	I	97.6	Very high	95.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.181	C	C	.	.			trans	-89.6	112	-169.3	-53.9	-56.9	0	0	0	110.7	V236 V238 K243 I276 C388 Q396 L397	V236-I391 HydrophobicContact CG1-CB 4.48Å; V236-I391 HydrophobicContact CG1-CG2 3.97Å; V238-I391 HydrophobicContact CG1-CG2 4.2Å; K243-I391 WeakPolarHBondContact CE-O 3.41Å; I276-I391 HydrophobicContact CG1-CD1 4.32Å; I276-I391 HydrophobicContact CG1-CG1 4.41Å; C388-I391 HydrophobicContact CB-CB 4.04Å; C388-I391 HydrophobicContact CB-CG1 3.67Å; I391-Q396 HydrophobicContact CD1-CB 4.11Å; I391-L397 HydrophobicContact CD1-CD2 3.71Å; I391-L397 HydrophobicContact CD1-CG 4.09Å; I391-L397 HydrophobicContact CG1-CD1 4.35Å; I391-L397 HydrophobicContact CG1-CD2 4.24Å; I391-L397 HydrophobicContact CG1-CG 4.39Å; I391-L397 HydrophobicContact CG2-CD1 3.93Å; I391-L397 HydrophobicContact CG2-CG 4.08Å
392	N	97.8	Very high	95.7	Very high	26 Å²	26	31.4 Å²	31.4	14%	0.139	17%	0.173	C	C	.	.			trans	-125	-7.4	-172.8	-73.3	-89.2	0	0	0	112.9	L242 K243 T390	L242-N392 VanDerWaalsContact CA-OD1 3.3Å; L242-N392 WeakPolarHBondContact CA-OD1 3.36Å; L242-N392 HydrophobicContact CD1-CB 3.88Å; L242-N392 WeakPolarHBondContact CD1-OD1 3.45Å; L242-N392 WeakPolarHBondContact CG-OD1 3.46Å; K243-N392 PolarHBondContact N-OD1 3.08Å; T390-N392 VanDerWaalsContact C-ND2 3.32Å; T390-N392 PolarHBondContact O-N 2.99Å; T390-N392 PolarHBondContact O-ND2 2.69Å
393	H	98	Very high	95.7	Very high	24 Å²	24	28.5 Å²	28.5	11%	0.111	16%	0.161	C	C	.	.	S	Bend	trans	-156.2	136.9	-175.1	-172	-94.8	0	0	0	111.7	S395 Q396 S445	H393-S395 PolarHBondContact CE1-OG 3.49Å; H393-S395 WeakPolarHBondContact ND1-CB 3.16Å; H393-S395 PolarHBondContact ND1-N 2.95Å; H393-S395 PolarHBondContact ND1-OG 2.77Å; H393-S395 PolarHBondContact O-N 2.89Å; H393-S395 VanDerWaalsContact O-N 3.08Å; H393-Q396 WeakPolarHBondContact O-CB 3.43Å; H393-Q396 PolarHBondContact O-N 3.02Å; H393-S445 PolarHBondContact NE2-OG 3.47Å; H393-S445 VanDerWaalsContact NE2-OG 3.12Å
394	P	97.4	Very high	95.7	Very high	8 Å²	8	28.9 Å²	28.9	5%	0.052	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-54.3	-34.7	-175.2	-27	33	0	0	0	115	Q396 L397 A398 M406 L449 F450	P394-Q396 PolarHBondContact O-N 2.97Å; P394-Q396 VanDerWaalsContact O-N 3.1Å; P394-L397 PolarHBondContact O-N 3.02Å; P394-A398 PolarHBondContact O-N 2.81Å; P394-A398 VanDerWaalsContact O-N 3.17Å; P394-M406 HydrophobicContact CB-CE 4.31Å; P394-M406 HydrophobicContact CB-CG 4.28Å; P394-M406 HydrophobicContact CG-CE 4.15Å; P394-L449 HydrophobicContact CB-CB 4.02Å; P394-L449 WeakPolarHBondContact CB-O 3.11Å; P394-L449 HydrophobicContact CG-CB 4.06Å; P394-L449 WeakPolarHBondContact CG-O 3.45Å; P394-F450 HydrophobicContact CG-CD1 3.66Å; P394-F450 HydrophobicContact CG-CE1 3.29Å; P394-F450 HydrophobicContact CG-CZ 3.99Å
395	S	96.2	Very high	95.7	Very high	67 Å²	67	28.9 Å²	28.9	47%	0.469	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-63.7	-16.3	-179.6	77.4	0	0	0	0	114.4	H393 L397	H393-S395 PolarHBondContact CE1-OG 3.49Å; H393-S395 WeakPolarHBondContact ND1-CB 3.16Å; H393-S395 PolarHBondContact ND1-N 2.95Å; H393-S395 PolarHBondContact ND1-OG 2.77Å; H393-S395 PolarHBondContact O-N 2.89Å; H393-S395 VanDerWaalsContact O-N 3.08Å; S395-L397 VanDerWaalsContact C-N 3.33Å
396	Q	95.9	Very high	95.6	Very high	52 Å²	52	29.2 Å²	29.2	24%	0.243	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-66.3	-35.8	172.3	-73.8	176.6	-95.2	0	0	111.6	S277 T390 I391 H393 P394	S277-Q396 WeakPolarHBondContact CB-O 3.31Å; T390-Q396 PolarHBondContact O-NE2 3.09Å; I391-Q396 HydrophobicContact CD1-CB 4.11Å; H393-Q396 WeakPolarHBondContact O-CB 3.43Å; H393-Q396 PolarHBondContact O-N 3.02Å; P394-Q396 PolarHBondContact O-N 2.97Å; P394-Q396 VanDerWaalsContact O-N 3.1Å
397	L	95.6	Very high	95.7	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.016	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-11.6	-179.4	-61.9	-177.3	0	0	0	113.6	V236 I276 I391 P394 S395 K399 T400 P404 M406	V236-L397 HydrophobicContact CG1-CD1 4.22Å; V236-L397 HydrophobicContact CG2-CD1 4Å; I276-L397 HydrophobicContact CD1-CD2 3.89Å; I276-L397 HydrophobicContact CG1-CD2 3.98Å; I391-L397 HydrophobicContact CD1-CD2 3.71Å; I391-L397 HydrophobicContact CD1-CG 4.09Å; I391-L397 HydrophobicContact CG1-CD1 4.35Å; I391-L397 HydrophobicContact CG1-CD2 4.24Å; I391-L397 HydrophobicContact CG1-CG 4.39Å; I391-L397 HydrophobicContact CG2-CD1 3.93Å; I391-L397 HydrophobicContact CG2-CG 4.08Å; P394-L397 PolarHBondContact O-N 3.02Å; S395-L397 VanDerWaalsContact C-N 3.33Å; L397-K399 PolarHBondContact O-N 3.19Å; L397-K399 VanDerWaalsContact O-N 3.07Å; L397-T400 HydrophobicContact CB-CG2 4.49Å; L397-T400 HydrophobicContact CD2-CG2 4.07Å; L397-T400 WeakPolarHBondContact O-CB 3.47Å; L397-T400 WeakPolarHBondContact O-CG2 3.45Å; L397-T400 PolarHBondContact O-N 3.5Å; L397-T400 PolarHBondContact O-OG1 3.42Å; L397-P404 HydrophobicContact CB-CG 4.12Å; L397-P404 HydrophobicContact CD1-CG 3.89Å; L397-M406 HydrophobicContact CD1-SD 4.4Å
398	A	92.7	Very high	95.7	Very high	64 Å²	64	27.6 Å²	27.6	53%	0.529	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-21.8	-178	0	0	0	0	0	115.3	P394	P394-A398 PolarHBondContact O-N 2.81Å; P394-A398 VanDerWaalsContact O-N 3.17Å
399	K	88.3	Confident	95.8	Very high	163 Å²	163	28.2 Å²	28.2	71%	0.709	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.7	3.4	177	-66.1	-175.3	179.9	179	0	114.4	K281 L397	K281-K399 PolarHBondContact N-O 2.77Å; L397-K399 PolarHBondContact O-N 3.19Å; L397-K399 VanDerWaalsContact O-N 3.07Å
400	T	91.3	Very high	96	Very high	1 Å²	1	28 Å²	28	1%	0.006	15%	0.154	C	C	.	.	S	Bend	trans	-88.3	171.9	174.6	74.3	0	0	0	0	111.4	A279 L397 L402	A279-T400 HydrophobicContact CB-CG2 4.15Å; L397-T400 HydrophobicContact CB-CG2 4.49Å; L397-T400 HydrophobicContact CD2-CG2 4.07Å; L397-T400 WeakPolarHBondContact O-CB 3.47Å; L397-T400 WeakPolarHBondContact O-CG2 3.45Å; L397-T400 PolarHBondContact O-N 3.5Å; L397-T400 PolarHBondContact O-OG1 3.42Å; T400-L402 PolarHBondContact OG1-N 2.81Å; T400-L402 VanDerWaalsContact OG1-N 3.14Å
401	S	89.5	Confident	96.2	Very high	12 Å²	12	27.3 Å²	27.3	8%	0.084	15%	0.148	C	C	.	.	S	Bend	trans	-87.3	-2.5	165.9	47.6	0	0	0	0	113.7	V228 V229 P230 I284 A403	V228-S401 WeakPolarHBondContact O-CB 3.4Å; V229-S401 WeakPolarHBondContact CA-O 3.37Å; V229-S401 WeakPolarHBondContact CG1-O 3.43Å; P230-S401 WeakPolarHBondContact CD-O 3.4Å; I284-S401 WeakPolarHBondContact CD1-OG 3.22Å; S401-A403 VanDerWaalsContact C-N 3.35Å; S401-A403 PolarHBondContact O-N 3.43Å
402	L	95.8	Very high	96	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	18%	0.18	C	C	.	.			trans	-69.5	-30.1	-172	-65.6	-178.5	0	0	0	113.8	P230 P234 I276 I371 I374 F375 T400 P404	P230-L402 WeakPolarHBondContact CD-O 3.3Å; P230-L402 HydrophobicContact CG-CD2 4.11Å; P234-L402 WeakPolarHBondContact CD-O 3.48Å; P234-L402 HydrophobicContact CG-CB 4.16Å; I276-L402 HydrophobicContact CD1-CD1 3.85Å; I371-L402 HydrophobicContact CD1-CD1 3.69Å; I371-L402 HydrophobicContact CD1-CD2 3.77Å; I371-L402 HydrophobicContact CD1-CG 3.75Å; I371-L402 HydrophobicContact CG2-CD2 4.29Å; I374-L402 HydrophobicContact CB-CD2 4.2Å; I374-L402 HydrophobicContact CD1-CD1 4.16Å; I374-L402 HydrophobicContact CD1-CD2 4.25Å; I374-L402 HydrophobicContact CG2-CD2 3.81Å; F375-L402 HydrophobicContact CD2-CD2 4.45Å; F375-L402 HydrophobicContact CE2-CD2 4.23Å; T400-L402 PolarHBondContact OG1-N 2.81Å; T400-L402 VanDerWaalsContact OG1-N 3.14Å; L402-P404 VanDerWaalsContact C-N 3.33Å
403	A	95.9	Very high	95.9	Very high	5 Å²	5	32.3 Å²	32.3	4%	0.041	19%	0.19	C	C	.	.			trans	42.8	51.3	-176.9	0	0	0	0	0	114	F80 V229 R233 S401	F80-A403 HydrophobicContact CE1-CB 3.67Å; F80-A403 HydrophobicContact CZ-CB 3.94Å; V229-A403 HydrophobicContact CB-CB 4.28Å; V229-A403 HydrophobicContact CG1-CB 3.88Å; R233-A403 WeakPolarHBondContact CG-O 3.44Å; R233-A403 PolarHBondContact NE-O 2.89Å; S401-A403 VanDerWaalsContact C-N 3.35Å; S401-A403 PolarHBondContact O-N 3.43Å
404	P	98.1	Very high	95.8	Very high	10 Å²	10	33.4 Å²	33.4	7%	0.065	20%	0.203	C	C	.	.			trans	-61.2	158.8	-170.8	29.3	-39.2	0	0	0	113.2	R233 P234 V236 L397 L402 M406	R233-P404 PolarHBondContact NH2-O 3.34Å; P234-P404 HydrophobicContact CG-CB 4.21Å; P234-P404 CarbonylContact O-C 3.6Å; P234-P404 WeakPolarHBondContact O-CA 3.41Å; P234-P404 WeakPolarHBondContact O-CB 3.27Å; V236-P404 HydrophobicContact CB-CB 4.37Å; V236-P404 HydrophobicContact CG2-CB 3.68Å; V236-P404 HydrophobicContact CG2-CG 4.47Å; L397-P404 HydrophobicContact CB-CG 4.12Å; L397-P404 HydrophobicContact CD1-CG 3.89Å; L402-P404 VanDerWaalsContact C-N 3.33Å; P404-M406 HydrophobicContact CB-SD 4.12Å; P404-M406 HydrophobicContact CG-CG 4.11Å; P404-M406 HydrophobicContact CG-SD 3.55Å; P404-M406 VanDerWaalsContact CG-SD 3.55Å; P404-M406 PolarHBondContact O-N 2.95Å
405	I	98.7	Very high	95.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	110	161	-68.3	166.9	0	0	0	106.8	R233 P234 V235 V236 I407 D451 L470 Y473	R233-I405 HydrophobicContact CB-CD1 4Å; R233-I405 HydrophobicContact CB-CG1 3.75Å; P234-I405 PolarHBondContact O-N 2.8Å; V235-I405 HydrophobicContact CG2-CB 4.27Å; V235-I405 HydrophobicContact CG2-CD1 4.29Å; V236-I405 PolarHBondContact N-O 3.08Å; I405-I407 HydrophobicContact CG2-CD1 3.98Å; I405-I407 HydrophobicContact CG2-CG1 3.87Å; I405-D451 WeakPolarHBondContact CA-OD2 3.37Å; I405-D451 HydrophobicContact CG2-CB 3.88Å; I405-L470 HydrophobicContact CD1-CD2 4.46Å; I405-Y473 HydrophobicContact CD1-CD1 3.57Å; I405-Y473 HydrophobicContact CD1-CD2 4.27Å; I405-Y473 HydrophobicContact CD1-CE1 3.67Å; I405-Y473 HydrophobicContact CD1-CE2 4.38Å; I405-Y473 HydrophobicContact CD1-CG 3.9Å
406	M	98.3	Very high	95.9	Very high	9 Å²	9	39.8 Å²	39.8	4%	0.044	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	115.5	-176.5	-69.8	-57.5	-42.9	0	0	110.5	V236 V238 P394 L397 P404 D451 V452	V236-M406 HydrophobicContact CB-CE 4.32Å; V236-M406 HydrophobicContact CB-SD 4.07Å; V236-M406 HydrophobicContact CG1-CE 4.16Å; V236-M406 HydrophobicContact CG1-SD 4.37Å; V238-M406 HydrophobicContact CB-CE 4.4Å; V238-M406 HydrophobicContact CG1-CE 3.59Å; V238-M406 HydrophobicContact CG2-CE 3.88Å; P394-M406 HydrophobicContact CB-CE 4.31Å; P394-M406 HydrophobicContact CB-CG 4.28Å; P394-M406 HydrophobicContact CG-CE 4.15Å; L397-M406 HydrophobicContact CD1-SD 4.4Å; P404-M406 HydrophobicContact CB-SD 4.12Å; P404-M406 HydrophobicContact CG-CG 4.11Å; P404-M406 HydrophobicContact CG-SD 3.55Å; P404-M406 VanDerWaalsContact CG-SD 3.55Å; P404-M406 PolarHBondContact O-N 2.95Å; M406-D451 PolarHBondContact N-OD2 2.86Å; M406-D451 PolarHBondContact O-N 2.88Å; M406-V452 PolarHBondContact O-N 2.85Å
407	I	98.7	Very high	96	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	119.8	-175.6	-54	-163.3	0	0	0	109.5	V235 V236 L237 V238 I405 V452 L454 L466	V235-I407 HydrophobicContact CG1-CD1 3.55Å; V235-I407 HydrophobicContact CG1-CG1 4.07Å; V236-I407 PolarHBondContact O-N 2.98Å; L237-I407 HydrophobicContact CD2-CB 3.83Å; L237-I407 HydrophobicContact CD2-CG2 3.93Å; V238-I407 WeakPolarHBondContact CG2-O 3.46Å; V238-I407 PolarHBondContact N-O 3.31Å; I405-I407 HydrophobicContact CG2-CD1 3.98Å; I405-I407 HydrophobicContact CG2-CG1 3.87Å; I407-V452 WeakPolarHBondContact CA-O 3.32Å; I407-V452 HydrophobicContact CB-CB 4.46Å; I407-V452 HydrophobicContact CD1-CB 4.4Å; I407-V452 HydrophobicContact CD1-CG2 4.29Å; I407-V452 HydrophobicContact CG1-CB 4.15Å; I407-V452 HydrophobicContact CG1-CG2 4.37Å; I407-V452 HydrophobicContact CG2-CB 4.11Å; I407-V452 HydrophobicContact CG2-CG1 4.3Å; I407-L454 HydrophobicContact CG2-CD1 3.94Å; I407-L454 HydrophobicContact CG2-CG 4.25Å; I407-L466 HydrophobicContact CD1-CD1 3.29Å; I407-L466 HydrophobicContact CG2-CD1 4.33Å
408	Y	98.7	Very high	96.1	Very high	9 Å²	9	40.6 Å²	40.6	4%	0.035	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	108.4	-177.4	176.8	-155.8	0	0	0	111.1	V238 K410 L442 A443 F450 V452 I453 L454	V238-Y408 WeakPolarHBondContact O-CA 3.46Å; Y408-K410 HydrophobicContact CD1-CB 4.08Å; Y408-K410 HydrophobicContact CD1-CD 4.46Å; Y408-K410 HydrophobicContact CD2-CB 4.2Å; Y408-K410 HydrophobicContact CE1-CB 3.78Å; Y408-K410 HydrophobicContact CE1-CD 3.92Å; Y408-K410 HydrophobicContact CE1-CG 3.86Å; Y408-K410 HydrophobicContact CE2-CB 3.9Å; Y408-K410 HydrophobicContact CG-CB 4.27Å; Y408-K410 PolarHBondContact O-N 3.39Å; Y408-L442 HydrophobicContact CD2-CB 4.49Å; Y408-L442 HydrophobicContact CD2-CD1 4.32Å; Y408-L442 HydrophobicContact CE1-CB 4.33Å; Y408-L442 HydrophobicContact CE2-CB 3.72Å; Y408-L442 HydrophobicContact CE2-CD1 3.91Å; Y408-L442 HydrophobicContact CE2-CG 4.31Å; Y408-A443 PolarHBondContact OH-N 3.16Å; Y408-F450 HydrophobicContact CD1-CD1 4.42Å; Y408-F450 HydrophobicContact CD1-CD2 4.17Å; Y408-F450 HydrophobicContact CD1-CE1 4.08Å; Y408-F450 AromaticContact CD1-CE2 3.84Å; Y408-F450 HydrophobicContact CD1-CE2 3.84Å; Y408-F450 HydrophobicContact CD1-CG 4.43Å; Y408-F450 AromaticContact CD1-CZ 3.78Å; Y408-F450 HydrophobicContact CD1-CZ 3.78Å; Y408-F450 HydrophobicContact CE1-CE2 4.41Å; Y408-F450 HydrophobicContact CE1-CZ 4.34Å; Y408-F450 HydrophobicContact CG-CD1 4.24Å; Y408-F450 AromaticContact CG-CE1 3.96Å; Y408-F450 HydrophobicContact CG-CE1 3.96Å; Y408-F450 HydrophobicContact CG-CZ 4.12Å; Y408-V452 PolarHBondContact N-O 3.44Å; Y408-I453 HydrophobicContact CD1-CG1 4.34Å; Y408-I453 HydrophobicContact CD1-CG2 4.03Å; Y408-L454 PolarHBondContact O-N 2.87Å
409	I	98.6	Very high	96.4	Very high	15 Å²	15	46 Å²	46	8%	0.077	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	116.2	165.9	-54.4	178.5	0	0	0	107.3	V238 G239 P240 M251 Q252 V255	V238-I409 PolarHBondContact O-N 2.82Å; G239-I409 CarbonylContact C-O 3.55Å; P240-I409 WeakPolarHBondContact CA-O 3.46Å; P240-I409 HydrophobicContact CB-CG2 4.41Å; P240-I409 WeakPolarHBondContact CB-O 3.33Å; P240-I409 HydrophobicContact CG-CG2 4.38Å; M251-I409 HydrophobicContact CE-CG2 4Å; Q252-I409 HydrophobicContact CG-CD1 3.92Å; V255-I409 HydrophobicContact CG2-CD1 3.93Å
410	K	98.2	Very high	96.9	Very high	67 Å²	67	41.1 Å²	41.1	29%	0.291	22%	0.219	S	C	.	.			trans	-122.3	107.3	-167.7	172	-175	161.2	-153.6	0	110.9	Y408 A412 I453 L454 D455	Y408-K410 HydrophobicContact CD1-CB 4.08Å; Y408-K410 HydrophobicContact CD1-CD 4.46Å; Y408-K410 HydrophobicContact CD2-CB 4.2Å; Y408-K410 HydrophobicContact CE1-CB 3.78Å; Y408-K410 HydrophobicContact CE1-CD 3.92Å; Y408-K410 HydrophobicContact CE1-CG 3.86Å; Y408-K410 HydrophobicContact CE2-CB 3.9Å; Y408-K410 HydrophobicContact CG-CB 4.27Å; Y408-K410 PolarHBondContact O-N 3.39Å; K410-A412 PolarHBondContact O-N 2.89Å; K410-I453 HydrophobicContact CB-CG2 3.98Å; K410-I453 HydrophobicContact CD-CG2 3.53Å; K410-I453 HydrophobicContact CG-CG2 4.41Å; K410-L454 PolarHBondContact N-O 2.95Å; K410-D455 HydrophobicContact CB-CB 4Å; K410-D455 HydrophobicContact CD-CB 3.89Å; K410-D455 WeakPolarHBondContact CE-OD2 3.38Å; K410-D455 HydrophobicContact CG-CB 3.97Å; K410-D455 IonicContact NZ-OD2 3.23Å; K410-D455 PolarHBondContact NZ-OD2 3.33Å; K410-D455 WeakPolarHBondContact O-CA 3.44Å; K410-D455 WeakPolarHBondContact O-CB 3.32Å
411	I	98	Very high	97.2	Very high	38 Å²	38	41.1 Å²	41.1	20%	0.195	22%	0.218	C	C	.	.			trans	-77.9	106.7	167.8	-67.4	167.8	0	0	0	108.5	P240 M251 S413 V416 L417 L420	P240-I411 HydrophobicContact CB-CB 4.26Å; P240-I411 HydrophobicContact CB-CD1 3.65Å; P240-I411 HydrophobicContact CB-CG1 3.7Å; P240-I411 HydrophobicContact CG-CD1 3.66Å; P240-I411 HydrophobicContact CG-CG1 4.14Å; M251-I411 HydrophobicContact CE-CD1 4.16Å; M251-I411 HydrophobicContact CE-CG1 4.28Å; M251-I411 HydrophobicContact SD-CD1 4.08Å; I411-S413 WeakPolarHBondContact CG2-O 3.41Å; I411-S413 PolarHBondContact O-N 3.36Å; I411-V416 HydrophobicContact CG2-CB 4.04Å; I411-V416 HydrophobicContact CG2-CG1 4.1Å; I411-L417 HydrophobicContact CD1-CB 4.38Å; I411-L417 HydrophobicContact CD1-CD1 4.07Å; I411-L417 HydrophobicContact CG2-CB 4.2Å; I411-L420 HydrophobicContact CD1-CD1 3.77Å
412	A	94.2	Very high	97.6	Very high	82 Å²	82	46 Å²	46	68%	0.678	24%	0.238	S	C	*	.	S	Bend	trans	-60.1	-15	-176.1	0	0	0	0	0	115.5	K410	K410-A412 PolarHBondContact O-N 2.89Å
413	S	96.1	Very high	97.7	Very high	49 Å²	49	50.2 Å²	50.2	34%	0.343	27%	0.268	S	S	.	.			trans	-128.2	115.2	179	-171.1	0	0	0	0	112.9	I411 K415 V416 L417	I411-S413 WeakPolarHBondContact CG2-O 3.41Å; I411-S413 PolarHBondContact O-N 3.36Å; S413-K415 PolarHBondContact O-N 2.75Å; S413-K415 VanDerWaalsContact O-N 3.11Å; S413-V416 WeakPolarHBondContact O-CA 3.35Å; S413-V416 WeakPolarHBondContact O-CB 3.31Å; S413-V416 PolarHBondContact O-N 2.91Å; S413-L417 PolarHBondContact O-N 3.48Å; S413-L417 VanDerWaalsContact O-N 3.17Å
414	A	95.9	Very high	97.8	Very high	46 Å²	46	54.8 Å²	54.8	38%	0.38	28%	0.284	S	S	.	.	H	α-helix	trans	-55.3	-29.9	172.7	0	0	0	0	0	112.8	V416 L417 Q418	A414-V416 VanDerWaalsContact C-N 3.32Å; A414-V416 PolarHBondContact O-N 3.25Å; A414-L417 PolarHBondContact O-N 3.12Å; A414-Q418 WeakPolarHBondContact O-CB 3.43Å; A414-Q418 VanDerWaalsContact O-CG 3.3Å; A414-Q418 WeakPolarHBondContact O-CG 3.33Å; A414-Q418 PolarHBondContact O-N 3.03Å
415	K	97.4	Very high	97.7	Very high	149 Å²	149	55.8 Å²	55.8	65%	0.648	30%	0.296	S	S	*	.	H	α-helix	trans	-67.6	-29.2	174.4	-67.6	-179.4	-178.7	174.5	0	112.8	S413 R419	S413-K415 PolarHBondContact O-N 2.75Å; S413-K415 VanDerWaalsContact O-N 3.11Å; K415-R419 WeakPolarHBondContact O-CD 3.16Å; K415-R419 VanDerWaalsContact O-CG 3.27Å; K415-R419 WeakPolarHBondContact O-CG 3.22Å; K415-R419 PolarHBondContact O-N 3Å
416	V	98.2	Very high	97.6	Very high	61 Å²	61	64.7 Å²	64.7	37%	0.37	34%	0.335	S	S	.	.	H	α-helix	trans	-74.5	-47.2	173	174	0	0	0	0	109.9	I411 S413 A414 Q418 R419 L420	I411-V416 HydrophobicContact CG2-CB 4.04Å; I411-V416 HydrophobicContact CG2-CG1 4.1Å; S413-V416 WeakPolarHBondContact O-CA 3.35Å; S413-V416 WeakPolarHBondContact O-CB 3.31Å; S413-V416 PolarHBondContact O-N 2.91Å; A414-V416 VanDerWaalsContact C-N 3.32Å; A414-V416 PolarHBondContact O-N 3.25Å; V416-Q418 VanDerWaalsContact C-N 3.34Å; V416-Q418 PolarHBondContact O-N 3.12Å; V416-R419 WeakPolarHBondContact O-CA 3.07Å; V416-R419 WeakPolarHBondContact O-CB 3.22Å; V416-R419 PolarHBondContact O-N 3.03Å; V416-L420 HydrophobicContact CG1-CD1 4.11Å; V416-L420 HydrophobicContact CG1-CG 4.45Å; V416-L420 WeakPolarHBondContact O-CG 3.27Å; V416-L420 PolarHBondContact O-N 3.04Å
417	L	98.2	Very high	97.4	Very high	4 Å²	4	71.1 Å²	71.1	2%	0.021	37%	0.367	C	S	.	.	H	α-helix	trans	-56.6	-45.2	174.9	178	56.7	0	0	0	111.8	V247 I411 S413 A414 R419 L420 I421 I436 A439	V247-L417 HydrophobicContact CG1-CD1 4.04Å; I411-L417 HydrophobicContact CD1-CB 4.38Å; I411-L417 HydrophobicContact CD1-CD1 4.07Å; I411-L417 HydrophobicContact CG2-CB 4.2Å; S413-L417 PolarHBondContact O-N 3.48Å; S413-L417 VanDerWaalsContact O-N 3.17Å; A414-L417 PolarHBondContact O-N 3.12Å; L417-R419 VanDerWaalsContact C-N 3.26Å; L417-R419 PolarHBondContact O-N 2.88Å; L417-L420 PolarHBondContact O-N 2.63Å; L417-I421 HydrophobicContact CD1-CD1 3.85Å; L417-I421 HydrophobicContact CD1-CG1 3.98Å; L417-I421 HydrophobicContact CG-CD1 3.83Å; L417-I421 HydrophobicContact CG-CG1 4.41Å; L417-I421 VanDerWaalsContact O-CG1 3.27Å; L417-I421 WeakPolarHBondContact O-CG1 3.42Å; L417-I421 PolarHBondContact O-N 3.2Å; L417-I436 HydrophobicContact CB-CD1 4.21Å; L417-I436 HydrophobicContact CD2-CD1 3.73Å; L417-I436 HydrophobicContact CG-CD1 3.75Å; L417-A439 HydrophobicContact CD2-CB 3.45Å; L417-A439 VanDerWaalsContact CD2-CB 3.45Å
418	Q	98.1	Very high	97.3	Very high	67 Å²	67	72 Å²	72	31%	0.313	37%	0.371	S	S	.	.	H	α-helix	trans	-58.9	-32.5	173.8	-73.5	179.9	19.1	0	0	113.8	A414 V416 K422 M432 I436	A414-Q418 WeakPolarHBondContact O-CB 3.43Å; A414-Q418 VanDerWaalsContact O-CG 3.3Å; A414-Q418 WeakPolarHBondContact O-CG 3.33Å; A414-Q418 PolarHBondContact O-N 3.03Å; V416-Q418 VanDerWaalsContact C-N 3.34Å; V416-Q418 PolarHBondContact O-N 3.12Å; Q418-K422 WeakPolarHBondContact O-CB 3.46Å; Q418-K422 VanDerWaalsContact O-CD 3.3Å; Q418-K422 WeakPolarHBondContact O-CD 3.21Å; Q418-K422 WeakPolarHBondContact O-CG 3.39Å; Q418-K422 PolarHBondContact O-N 3.13Å; Q418-M432 HydrophobicContact CB-SD 4.13Å; Q418-M432 HydrophobicContact CG-SD 3.94Å; Q418-I436 HydrophobicContact CG-CD1 3.66Å; Q418-I436 HydrophobicContact CG-CG1 4.02Å
419	R	98.1	Very high	97.3	Very high	177 Å²	177	73.2 Å²	73.2	67%	0.668	38%	0.383	S	S	*	.	H	α-helix	trans	-73.6	-41.6	176.1	-73.1	164.7	177.3	166.5	-3.2	111.3	K415 V416 L417 K422 S423	K415-R419 WeakPolarHBondContact O-CD 3.16Å; K415-R419 VanDerWaalsContact O-CG 3.27Å; K415-R419 WeakPolarHBondContact O-CG 3.22Å; K415-R419 PolarHBondContact O-N 3Å; V416-R419 WeakPolarHBondContact O-CA 3.07Å; V416-R419 WeakPolarHBondContact O-CB 3.22Å; V416-R419 PolarHBondContact O-N 3.03Å; L417-R419 VanDerWaalsContact C-N 3.26Å; L417-R419 PolarHBondContact O-N 2.88Å; R419-K422 PolarHBondContact O-N 3.03Å; R419-S423 PolarHBondContact O-N 3.36Å
420	L	98.2	Very high	97.2	Very high	62 Å²	62	82.6 Å²	82.6	33%	0.325	42%	0.417	S	S	.	.	H	α-helix	trans	-63.3	-44.8	175.9	-66.1	170.3	0	0	0	111.7	V247 I411 V416 L417 K422 S423 R424	V247-L420 HydrophobicContact CG1-CB 4.05Å; V247-L420 HydrophobicContact CG1-CD1 4.44Å; V247-L420 HydrophobicContact CG2-CB 4.32Å; I411-L420 HydrophobicContact CD1-CD1 3.77Å; V416-L420 HydrophobicContact CG1-CD1 4.11Å; V416-L420 HydrophobicContact CG1-CG 4.45Å; V416-L420 WeakPolarHBondContact O-CG 3.27Å; V416-L420 PolarHBondContact O-N 3.04Å; L417-L420 PolarHBondContact O-N 2.63Å; L420-K422 VanDerWaalsContact C-N 3.26Å; L420-K422 PolarHBondContact O-N 2.66Å; L420-S423 PolarHBondContact O-N 2.87Å; L420-S423 PolarHBondContact O-OG 3.31Å; L420-R424 PolarHBondContact O-N 3.39Å
421	I	98.4	Very high	97.1	Very high	0 Å²	0	82.8 Å²	82.8	0%	0	42%	0.422	C	S	.	.	H	α-helix	trans	-60.6	-38.1	176	-63.2	168.1	0	0	0	111	V247 L417 Q428 M432 Q435 I436	V247-I421 HydrophobicContact CG2-CG1 4.06Å; L417-I421 HydrophobicContact CD1-CD1 3.85Å; L417-I421 HydrophobicContact CD1-CG1 3.98Å; L417-I421 HydrophobicContact CG-CD1 3.83Å; L417-I421 HydrophobicContact CG-CG1 4.41Å; L417-I421 VanDerWaalsContact O-CG1 3.27Å; L417-I421 WeakPolarHBondContact O-CG1 3.42Å; L417-I421 PolarHBondContact O-N 3.2Å; I421-Q428 HydrophobicContact CG2-CB 4.33Å; I421-M432 HydrophobicContact CB-CG 4.42Å; I421-M432 HydrophobicContact CD1-CG 4.06Å; I421-M432 HydrophobicContact CG2-CB 3.91Å; I421-M432 HydrophobicContact CG2-CG 4.04Å; I421-Q435 HydrophobicContact CD1-CB 3.66Å; I421-Q435 HydrophobicContact CD1-CG 4.48Å; I421-I436 HydrophobicContact CD1-CD1 4.12Å
422	K	98.2	Very high	97.1	Very high	114 Å²	114	82.5 Å²	82.5	50%	0.496	42%	0.42	S	S	.	.	H	α-helix	trans	-72.2	-32.8	177.4	-72.7	168.9	-171.1	171.6	0	113.1	Q418 R419 L420 R424 G425 M432	Q418-K422 WeakPolarHBondContact O-CB 3.46Å; Q418-K422 VanDerWaalsContact O-CD 3.3Å; Q418-K422 WeakPolarHBondContact O-CD 3.21Å; Q418-K422 WeakPolarHBondContact O-CG 3.39Å; Q418-K422 PolarHBondContact O-N 3.13Å; R419-K422 PolarHBondContact O-N 3.03Å; L420-K422 VanDerWaalsContact C-N 3.26Å; L420-K422 PolarHBondContact O-N 2.66Å; K422-R424 VanDerWaalsContact C-N 3.3Å; K422-R424 PolarHBondContact O-N 2.92Å; K422-G425 PolarHBondContact O-N 3.15Å; K422-M432 VanDerWaalsContact CE-SD 3.5Å
423	S	97.8	Very high	97.3	Very high	90 Å²	90	84.4 Å²	84.4	63%	0.629	42%	0.418	S	S	*	.	H	α-helix	trans	-71.4	-23.9	177.7	69.3	0	0	0	0	113	R419 L420 G425	R419-S423 PolarHBondContact O-N 3.36Å; L420-S423 PolarHBondContact O-N 2.87Å; L420-S423 PolarHBondContact O-OG 3.31Å; S423-G425 PolarHBondContact O-N 3.32Å
424	R	97.4	Very high	97.3	Very high	101 Å²	101	85.8 Å²	85.8	38%	0.381	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	3.7	166.9	-54.1	-50.3	-57.5	-172.4	-2	114.2	E246 V247 M250 L420 K422 Q428	E246-R424 HydrophobicContact CB-CG 4.2Å; E246-R424 IonicContact OE2-CZ 2.72Å; E246-R424 IonicContact OE2-NE 3.75Å; E246-R424 PolarHBondContact OE2-NE 2.9Å; E246-R424 IonicContact OE2-NH2 2.7Å; E246-R424 PolarHBondContact OE2-NH2 2.89Å; V247-R424 HydrophobicContact CG2-CG 3.7Å; M250-R424 PolarHBondContact SD-NH1 3.37Å; M250-R424 VanDerWaalsContact SD-NH1 3.36Å; L420-R424 PolarHBondContact O-N 3.39Å; K422-R424 VanDerWaalsContact C-N 3.3Å; K422-R424 PolarHBondContact O-N 2.92Å; R424-Q428 HydrophobicContact CB-CB 3.83Å; R424-Q428 HydrophobicContact CB-CG 3.57Å; R424-Q428 HydrophobicContact CG-CG 4.5Å
425	G	96.9	Very high	97.5	Very high	32 Å²	32	83.6 Å²	83.6	33%	0.33	41%	0.407	S	S	.	.			trans	83.7	-174	169.2	0	0	0	0	0	115.7	K422 S423 M427 Q428 A429	K422-G425 PolarHBondContact O-N 3.15Å; S423-G425 PolarHBondContact O-N 3.32Å; G425-M427 VanDerWaalsContact C-N 3.3Å; G425-M427 PolarHBondContact O-N 3.39Å; G425-Q428 PolarHBondContact O-N 2.91Å; G425-A429 WeakPolarHBondContact O-CB 3.28Å; G425-A429 PolarHBondContact O-N 2.87Å
426	K	96.1	Very high	97.5	Very high	187 Å²	187	77.2 Å²	77.2	81%	0.813	38%	0.379	S	S	*	.	H	α-helix	trans	-63.5	-27.1	-163.6	-66.5	-179.3	-178.9	175.9	0	114.7	R430	K426-R430 WeakPolarHBondContact O-CG 3.05Å; K426-R430 PolarHBondContact O-N 2.83Å
427	M	95	Very high	97.5	Very high	144 Å²	144	78.7 Å²	78.7	71%	0.709	39%	0.388	S	S	*	.	H	α-helix	trans	-72.7	-51.7	-179.8	-168	-178	-65.1	0	0	111	G425 A429 R430	G425-M427 VanDerWaalsContact C-N 3.3Å; G425-M427 PolarHBondContact O-N 3.39Å; M427-A429 PolarHBondContact O-N 3.03Å; M427-R430 PolarHBondContact O-N 3.38Å
428	Q	96.8	Very high	97.4	Very high	17 Å²	17	79.4 Å²	79.4	8%	0.079	40%	0.395	C	S	.	.	H	α-helix	trans	-62.5	-42.5	175.6	-62.9	-58.7	-28.1	0	0	111.6	Y245 E246 I421 R424 G425 R430 N431 M432	Y245-Q428 VanDerWaalsContact CD1-OE1 3.27Å; E246-Q428 HydrophobicContact CB-CG 4.38Å; E246-Q428 HydrophobicContact CG-CG 4.36Å; E246-Q428 VanDerWaalsContact OE1-CG 3.3Å; E246-Q428 WeakPolarHBondContact OE1-CG 3.43Å; E246-Q428 PolarHBondContact OE1-NE2 3.2Å; I421-Q428 HydrophobicContact CG2-CB 4.33Å; R424-Q428 HydrophobicContact CB-CB 3.83Å; R424-Q428 HydrophobicContact CB-CG 3.57Å; R424-Q428 HydrophobicContact CG-CG 4.5Å; G425-Q428 PolarHBondContact O-N 2.91Å; Q428-R430 PolarHBondContact O-N 3.03Å; Q428-N431 PolarHBondContact O-N 3.47Å; Q428-M432 PolarHBondContact O-N 3.01Å
429	A	96.9	Very high	97.5	Very high	35 Å²	35	76.9 Å²	76.9	29%	0.289	39%	0.385	S	S	.	.	H	α-helix	trans	-60.1	-26.6	179	0	0	0	0	0	114.7	G425 M427 N431 M432	G425-A429 WeakPolarHBondContact O-CB 3.28Å; G425-A429 PolarHBondContact O-N 2.87Å; M427-A429 PolarHBondContact O-N 3.03Å; A429-N431 VanDerWaalsContact C-N 3.31Å; A429-N431 PolarHBondContact O-N 3.17Å; A429-M432 WeakPolarHBondContact O-CB 3.45Å; A429-M432 PolarHBondContact O-N 3.45Å
430	R	97.1	Very high	97.4	Very high	212 Å²	212	72.5 Å²	72.5	80%	0.8	37%	0.372	S	S	*	.	H	α-helix	trans	-65.1	-34.8	174	-78.2	169.3	175.7	-170.6	-2	112.5	K426 M427 Q428	K426-R430 WeakPolarHBondContact O-CG 3.05Å; K426-R430 PolarHBondContact O-N 2.83Å; M427-R430 PolarHBondContact O-N 3.38Å; Q428-R430 PolarHBondContact O-N 3.03Å
431	N	96.8	Very high	97.4	Very high	72 Å²	72	75.2 Å²	75.2	39%	0.385	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	10.2	-176.3	-63.9	-27.2	0	0	0	112.9	Y245 Q428 A429 N433 V434 Q435	Y245-N431 HydrophobicContact CE1-CB 3.65Å; Q428-N431 PolarHBondContact O-N 3.47Å; A429-N431 VanDerWaalsContact C-N 3.31Å; A429-N431 PolarHBondContact O-N 3.17Å; N431-N433 VanDerWaalsContact C-N 3.3Å; N431-N433 PolarHBondContact O-N 3.18Å; N431-V434 PolarHBondContact O-N 2.61Å; N431-V434 VanDerWaalsContact O-N 3.14Å; N431-Q435 PolarHBondContact O-N 2.87Å
432	M	97.4	Very high	97.4	Very high	32 Å²	32	75.3 Å²	75.3	16%	0.158	38%	0.382	C	S	.	.	H	α-helix	trans	-52.4	-42.9	-176.3	-176.2	-177.7	64	0	0	113	Q418 I421 K422 Q428 A429 V434 Q435 I436	Q418-M432 HydrophobicContact CB-SD 4.13Å; Q418-M432 HydrophobicContact CG-SD 3.94Å; I421-M432 HydrophobicContact CB-CG 4.42Å; I421-M432 HydrophobicContact CD1-CG 4.06Å; I421-M432 HydrophobicContact CG2-CB 3.91Å; I421-M432 HydrophobicContact CG2-CG 4.04Å; K422-M432 VanDerWaalsContact CE-SD 3.5Å; Q428-M432 PolarHBondContact O-N 3.01Å; A429-M432 WeakPolarHBondContact O-CB 3.45Å; A429-M432 PolarHBondContact O-N 3.45Å; M432-V434 VanDerWaalsContact C-N 3.33Å; M432-V434 PolarHBondContact O-N 2.82Å; M432-Q435 PolarHBondContact O-N 2.69Å; M432-I436 HydrophobicContact CG-CG1 4.15Å; M432-I436 WeakPolarHBondContact O-CG1 3.44Å; M432-I436 PolarHBondContact O-N 3.45Å
433	N	97.7	Very high	97.3	Very high	121 Å²	121	73.2 Å²	73.2	65%	0.647	39%	0.386	S	S	*	.	H	α-helix	trans	-63.5	-38	-177.1	-67.2	1	0	0	0	112.5	N431 I436 V437	N431-N433 VanDerWaalsContact C-N 3.3Å; N431-N433 PolarHBondContact O-N 3.18Å; N433-I436 PolarHBondContact O-N 3.48Å; N433-V437 WeakPolarHBondContact O-CG2 3.41Å; N433-V437 PolarHBondContact O-N 3.24Å
434	V	97.8	Very high	97.3	Very high	79 Å²	79	76.3 Å²	76.3	48%	0.479	39%	0.391	S	S	.	.	H	α-helix	trans	-67	-41.3	176.9	179	0	0	0	0	110.4	N431 M432 A438	N431-V434 PolarHBondContact O-N 2.61Å; N431-V434 VanDerWaalsContact O-N 3.14Å; M432-V434 VanDerWaalsContact C-N 3.33Å; M432-V434 PolarHBondContact O-N 2.82Å; V434-A438 WeakPolarHBondContact O-CB 3.43Å; V434-A438 PolarHBondContact O-N 3.32Å; V434-A438 VanDerWaalsContact O-N 3.07Å
435	Q	98.1	Very high	97.3	Very high	0 Å²	0	72.2 Å²	72.2	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-64.5	-41.3	176	-74.6	-178.8	53	0	0	112.5	S241 Y245 I421 N431 M432 A438 A439	S241-Q435 WeakPolarHBondContact OG-CA 3.06Å; S241-Q435 WeakPolarHBondContact OG-CB 3.44Å; S241-Q435 PolarHBondContact OG-O 3.35Å; Y245-Q435 HydrophobicContact CD1-CG 4.38Å; Y245-Q435 HydrophobicContact CD2-CG 3.48Å; Y245-Q435 VanDerWaalsContact CD2-CG 3.48Å; Y245-Q435 HydrophobicContact CE2-CG 3.72Å; Y245-Q435 HydrophobicContact CG-CG 3.82Å; I421-Q435 HydrophobicContact CD1-CB 3.66Å; I421-Q435 HydrophobicContact CD1-CG 4.48Å; N431-Q435 PolarHBondContact O-N 2.87Å; M432-Q435 PolarHBondContact O-N 2.69Å; Q435-A438 PolarHBondContact O-N 3.42Å; Q435-A439 PolarHBondContact O-N 3.39Å; Q435-A439 VanDerWaalsContact O-N 3.13Å
436	I	98	Very high	97.3	Very high	14 Å²	14	73.8 Å²	73.8	7%	0.072	38%	0.382	C	S	.	.	H	α-helix	trans	-66.1	-46.1	176.4	-63.8	-55.1	0	0	0	111.3	L417 Q418 I421 M432 N433 A438 A439 E440	L417-I436 HydrophobicContact CB-CD1 4.21Å; L417-I436 HydrophobicContact CD2-CD1 3.73Å; L417-I436 HydrophobicContact CG-CD1 3.75Å; Q418-I436 HydrophobicContact CG-CD1 3.66Å; Q418-I436 HydrophobicContact CG-CG1 4.02Å; I421-I436 HydrophobicContact CD1-CD1 4.12Å; M432-I436 HydrophobicContact CG-CG1 4.15Å; M432-I436 WeakPolarHBondContact O-CG1 3.44Å; M432-I436 PolarHBondContact O-N 3.45Å; N433-I436 PolarHBondContact O-N 3.48Å; I436-A438 VanDerWaalsContact C-N 3.29Å; I436-A438 PolarHBondContact O-N 2.8Å; I436-A439 WeakPolarHBondContact O-CB 3.38Å; I436-A439 PolarHBondContact O-N 3.07Å; I436-A439 VanDerWaalsContact O-N 3.1Å; I436-E440 HydrophobicContact CG2-CG 4.14Å; I436-E440 WeakPolarHBondContact CG2-OE1 3.46Å; I436-E440 WeakPolarHBondContact O-CG 3.39Å; I436-E440 PolarHBondContact O-N 2.78Å
437	V	97.8	Very high	97.3	Very high	93 Å²	93	69.1 Å²	69.1	56%	0.564	37%	0.37	S	S	*	.	H	α-helix	trans	-61.9	-35.7	178.3	170.9	0	0	0	0	112.2	N433 K441	N433-V437 WeakPolarHBondContact O-CG2 3.41Å; N433-V437 PolarHBondContact O-N 3.24Å; V437-K441 WeakPolarHBondContact O-CB 3.21Å; V437-K441 PolarHBondContact O-N 2.9Å
438	A	97.8	Very high	97.3	Very high	19 Å²	19	69.2 Å²	69.2	16%	0.157	37%	0.369	C	S	.	.	H	α-helix	trans	-64.8	-41.9	173.6	0	0	0	0	0	112.5	L242 V434 Q435 I436 L442	L242-A438 HydrophobicContact CB-CB 3.85Å; L242-A438 HydrophobicContact CD1-CB 3.99Å; V434-A438 WeakPolarHBondContact O-CB 3.43Å; V434-A438 PolarHBondContact O-N 3.32Å; V434-A438 VanDerWaalsContact O-N 3.07Å; Q435-A438 PolarHBondContact O-N 3.42Å; I436-A438 VanDerWaalsContact C-N 3.29Å; I436-A438 PolarHBondContact O-N 2.8Å; A438-L442 PolarHBondContact O-N 2.9Å
439	A	98.3	Very high	97.3	Very high	13 Å²	13	71.7 Å²	71.7	11%	0.107	38%	0.382	C	S	.	.	H	α-helix	trans	-67.9	-42.4	176.9	0	0	0	0	0	112.3	P240 L417 Q435 I436 K441 L442 A443	P240-A439 WeakPolarHBondContact O-CB 3.1Å; L417-A439 HydrophobicContact CD2-CB 3.45Å; L417-A439 VanDerWaalsContact CD2-CB 3.45Å; Q435-A439 PolarHBondContact O-N 3.39Å; Q435-A439 VanDerWaalsContact O-N 3.13Å; I436-A439 WeakPolarHBondContact O-CB 3.38Å; I436-A439 PolarHBondContact O-N 3.07Å; I436-A439 VanDerWaalsContact O-N 3.1Å; A439-K441 VanDerWaalsContact C-N 3.33Å; A439-K441 PolarHBondContact O-N 2.73Å; A439-L442 PolarHBondContact O-N 2.86Å; A439-A443 PolarHBondContact O-N 3.05Å
440	E	97.8	Very high	97.3	Very high	85 Å²	85	71 Å²	71	40%	0.397	37%	0.373	S	S	.	.	H	α-helix	trans	-62	-39	176.1	-73.5	173.7	171.1	0	0	111.8	I436 A443 Q444	I436-E440 HydrophobicContact CG2-CG 4.14Å; I436-E440 WeakPolarHBondContact CG2-OE1 3.46Å; I436-E440 WeakPolarHBondContact O-CG 3.39Å; I436-E440 PolarHBondContact O-N 2.78Å; E440-A443 PolarHBondContact O-N 2.97Å; E440-Q444 WeakPolarHBondContact O-CB 3.27Å; E440-Q444 VanDerWaalsContact O-CG 3.23Å; E440-Q444 WeakPolarHBondContact O-CG 3.45Å; E440-Q444 PolarHBondContact O-N 3.21Å
441	K	97.4	Very high	97.4	Very high	119 Å²	119	63.5 Å²	63.5	52%	0.517	35%	0.349	S	S	.	.	H	α-helix	trans	-63.9	-39	175.1	-175.2	179.4	177.8	-177.7	0	112.8	V437 A439 Q444 S445	V437-K441 WeakPolarHBondContact O-CB 3.21Å; V437-K441 PolarHBondContact O-N 2.9Å; A439-K441 VanDerWaalsContact C-N 3.33Å; A439-K441 PolarHBondContact O-N 2.73Å; K441-Q444 PolarHBondContact O-N 2.9Å; K441-S445 PolarHBondContact O-N 3.2Å; K441-S445 PolarHBondContact O-OG 3.15Å
442	L	98.2	Very high	97.4	Very high	3 Å²	3	60.3 Å²	60.3	2%	0.016	33%	0.332	C	S	.	.	H	α-helix	trans	-66.4	-42.5	172.2	-76.6	168.4	0	0	0	111.3	V238 Y408 A438 A439 Q444 S445 F450	V238-L442 HydrophobicContact CG2-CD2 4.38Å; Y408-L442 HydrophobicContact CD2-CB 4.49Å; Y408-L442 HydrophobicContact CD2-CD1 4.32Å; Y408-L442 HydrophobicContact CE1-CB 4.33Å; Y408-L442 HydrophobicContact CE2-CB 3.72Å; Y408-L442 HydrophobicContact CE2-CD1 3.91Å; Y408-L442 HydrophobicContact CE2-CG 4.31Å; A438-L442 PolarHBondContact O-N 2.9Å; A439-L442 PolarHBondContact O-N 2.86Å; L442-Q444 VanDerWaalsContact C-N 3.27Å; L442-Q444 PolarHBondContact O-N 3.11Å; L442-S445 WeakPolarHBondContact O-CB 3.5Å; L442-S445 PolarHBondContact O-N 3.43Å; L442-S445 PolarHBondContact O-OG 3.44Å; L442-F450 HydrophobicContact CD2-CE1 4.06Å; L442-F450 HydrophobicContact CD2-CZ 4.03Å
443	A	96.9	Very high	97.5	Very high	70 Å²	70	61 Å²	61	58%	0.579	34%	0.336	S	S	*	.	H	α-helix	trans	-67.2	-24.3	177.4	0	0	0	0	0	114	Y408 A439 E440	Y408-A443 PolarHBondContact OH-N 3.16Å; A439-A443 PolarHBondContact O-N 3.05Å; E440-A443 PolarHBondContact O-N 2.97Å
444	Q	96.5	Very high	97.5	Very high	155 Å²	155	55.5 Å²	55.5	72%	0.724	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-4.5	172.6	-70.6	168.3	22.2	0	0	113.5	E440 K441 L442	E440-Q444 WeakPolarHBondContact O-CB 3.27Å; E440-Q444 VanDerWaalsContact O-CG 3.23Å; E440-Q444 WeakPolarHBondContact O-CG 3.45Å; E440-Q444 PolarHBondContact O-N 3.21Å; K441-Q444 PolarHBondContact O-N 2.9Å; L442-Q444 VanDerWaalsContact C-N 3.27Å; L442-Q444 PolarHBondContact O-N 3.11Å
445	S	97	Very high	97.5	Very high	15 Å²	15	55.4 Å²	55.4	11%	0.105	30%	0.303	C	S	.	.	S	Bend	trans	-77.1	138.6	-179.9	-63.9	0	0	0	0	111.1	H393 K441 L442	H393-S445 PolarHBondContact NE2-OG 3.47Å; H393-S445 VanDerWaalsContact NE2-OG 3.12Å; K441-S445 PolarHBondContact O-N 3.2Å; K441-S445 PolarHBondContact O-OG 3.15Å; L442-S445 WeakPolarHBondContact O-CB 3.5Å; L442-S445 PolarHBondContact O-N 3.43Å; L442-S445 PolarHBondContact O-OG 3.44Å
446	P	97.2	Very high	97.5	Very high	64 Å²	64	58.2 Å²	58.2	42%	0.416	32%	0.316	S	S	.	.			trans	-53.7	133.7	172	-28.1	35.9	0	0	0	111.6	E448 L449	P446-E448 HydrophobicContact CB-CG 3.78Å; P446-E448 PolarHBondContact O-N 2.97Å; P446-L449 HydrophobicContact CB-CG 4.41Å; P446-L449 WeakPolarHBondContact O-CB 3.3Å; P446-L449 PolarHBondContact O-N 3.21Å; P446-L449 VanDerWaalsContact O-N 3.08Å
447	P	96.3	Very high	97.4	Very high	89 Å²	89	64.3 Å²	64.3	58%	0.578	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-63.4	-28.2	-173.7	24.4	-33.7	0	0	0	112.7	L449 F450 I453	P447-L449 PolarHBondContact O-N 2.98Å; P447-F450 PolarHBondContact O-N 2.83Å; P447-I453 HydrophobicContact CB-CD1 4.12Å
448	E	95.3	Very high	97.4	Very high	147 Å²	147	64.8 Å²	64.8	69%	0.687	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-60.2	-4	172.6	69.1	-165.3	-107.4	0	0	115.9	P446	P446-E448 HydrophobicContact CB-CG 3.78Å; P446-E448 PolarHBondContact O-N 2.97Å
449	L	96.2	Very high	97.4	Very high	68 Å²	68	68 Å²	68	36%	0.356	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-89.9	-4.2	171.7	-61.6	-177.3	0	0	0	113.2	P394 P446 P447	P394-L449 HydrophobicContact CB-CB 4.02Å; P394-L449 WeakPolarHBondContact CB-O 3.11Å; P394-L449 HydrophobicContact CG-CB 4.06Å; P394-L449 WeakPolarHBondContact CG-O 3.45Å; P446-L449 HydrophobicContact CB-CG 4.41Å; P446-L449 WeakPolarHBondContact O-CB 3.3Å; P446-L449 PolarHBondContact O-N 3.21Å; P446-L449 VanDerWaalsContact O-N 3.08Å; P447-L449 PolarHBondContact O-N 2.98Å
450	F	98.1	Very high	97.4	Very high	20 Å²	20	73.2 Å²	73.2	9%	0.088	39%	0.385	C	S	.	.			trans	-121.7	141.5	178.8	-47.4	-76	0	0	0	109.7	V238 P394 Y408 L442 P447 I453	V238-F450 HydrophobicContact CG2-CD1 4.33Å; V238-F450 HydrophobicContact CG2-CE1 4.01Å; P394-F450 HydrophobicContact CG-CD1 3.66Å; P394-F450 HydrophobicContact CG-CE1 3.29Å; P394-F450 HydrophobicContact CG-CZ 3.99Å; Y408-F450 HydrophobicContact CD1-CD1 4.42Å; Y408-F450 HydrophobicContact CD1-CD2 4.17Å; Y408-F450 HydrophobicContact CD1-CE1 4.08Å; Y408-F450 AromaticContact CD1-CE2 3.84Å; Y408-F450 HydrophobicContact CD1-CE2 3.84Å; Y408-F450 HydrophobicContact CD1-CG 4.43Å; Y408-F450 AromaticContact CD1-CZ 3.78Å; Y408-F450 HydrophobicContact CD1-CZ 3.78Å; Y408-F450 HydrophobicContact CE1-CE2 4.41Å; Y408-F450 HydrophobicContact CE1-CZ 4.34Å; Y408-F450 HydrophobicContact CG-CD1 4.24Å; Y408-F450 AromaticContact CG-CE1 3.96Å; Y408-F450 HydrophobicContact CG-CE1 3.96Å; Y408-F450 HydrophobicContact CG-CZ 4.12Å; L442-F450 HydrophobicContact CD2-CE1 4.06Å; L442-F450 HydrophobicContact CD2-CZ 4.03Å; P447-F450 PolarHBondContact O-N 2.83Å; F450-I453 HydrophobicContact CB-CD1 4.46Å; F450-I453 HydrophobicContact CB-CG1 3.92Å; F450-I453 HydrophobicContact CD2-CD1 4.05Å; F450-I453 HydrophobicContact CD2-CG1 4.23Å; F450-I453 HydrophobicContact CG-CG1 4.3Å
451	D	98.1	Very high	97.4	Very high	55 Å²	55	73.4 Å²	73.4	29%	0.294	39%	0.389	S	S	.	.	S	Bend	trans	-85.4	-29.5	172.6	-65.4	-97.2	0	0	0	111.5	R233 I405 M406 H469	R233-D451 IonicContact CZ-OD1 3.39Å; R233-D451 IonicContact CZ-OD2 2.76Å; R233-D451 IonicContact NH1-OD1 3.73Å; R233-D451 PolarHBondContact NH1-OD1 2.76Å; R233-D451 IonicContact NH2-OD1 3.28Å; R233-D451 PolarHBondContact NH2-OD1 3.15Å; R233-D451 IonicContact NH2-OD2 2.74Å; R233-D451 PolarHBondContact NH2-OD2 2.76Å; I405-D451 WeakPolarHBondContact CA-OD2 3.37Å; I405-D451 HydrophobicContact CG2-CB 3.88Å; M406-D451 PolarHBondContact N-OD2 2.86Å; M406-D451 PolarHBondContact O-N 2.88Å; D451-H469 PolarHBondContact O-CE1 3.29Å
452	V	98.4	Very high	97.4	Very high	5 Å²	5	68.3 Å²	68.3	3%	0.03	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	137.6	177.5	-176.5	0	0	0	0	109	M406 I407 Y408 L454 H469	M406-V452 PolarHBondContact O-N 2.85Å; I407-V452 WeakPolarHBondContact CA-O 3.32Å; I407-V452 HydrophobicContact CB-CB 4.46Å; I407-V452 HydrophobicContact CD1-CB 4.4Å; I407-V452 HydrophobicContact CD1-CG2 4.29Å; I407-V452 HydrophobicContact CG1-CB 4.15Å; I407-V452 HydrophobicContact CG1-CG2 4.37Å; I407-V452 HydrophobicContact CG2-CB 4.11Å; I407-V452 HydrophobicContact CG2-CG1 4.3Å; Y408-V452 PolarHBondContact N-O 3.44Å; V452-L454 HydrophobicContact CG1-CD2 3.56Å; V452-L454 HydrophobicContact CG1-CG 3.98Å; V452-H469 HydrophobicContact CG2-CB 3.91Å; V452-H469 WeakPolarHBondContact CG2-ND1 3.46Å
453	I	98.5	Very high	97.5	Very high	48 Å²	48	68.3 Å²	68.3	25%	0.246	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	121	169.6	-57.2	178.2	0	0	0	106.9	Y408 K410 P447 F450 H465	Y408-I453 HydrophobicContact CD1-CG1 4.34Å; Y408-I453 HydrophobicContact CD1-CG2 4.03Å; K410-I453 HydrophobicContact CB-CG2 3.98Å; K410-I453 HydrophobicContact CD-CG2 3.53Å; K410-I453 HydrophobicContact CG-CG2 4.41Å; P447-I453 HydrophobicContact CB-CD1 4.12Å; F450-I453 HydrophobicContact CB-CD1 4.46Å; F450-I453 HydrophobicContact CB-CG1 3.92Å; F450-I453 HydrophobicContact CD2-CD1 4.05Å; F450-I453 HydrophobicContact CD2-CG1 4.23Å; F450-I453 HydrophobicContact CG-CG1 4.3Å; I453-H465 PolarHBondContact O-CE1 3.21Å; I453-H465 VanDerWaalsContact O-CE1 3.31Å
454	L	98.5	Very high	97.5	Very high	5 Å²	5	70 Å²	70	3%	0.026	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	102.4	178.7	-56.7	177.4	0	0	0	108.1	I407 Y408 K410 V452 E456 A462 H465 L466	I407-L454 HydrophobicContact CG2-CD1 3.94Å; I407-L454 HydrophobicContact CG2-CG 4.25Å; Y408-L454 PolarHBondContact O-N 2.87Å; K410-L454 PolarHBondContact N-O 2.95Å; V452-L454 HydrophobicContact CG1-CD2 3.56Å; V452-L454 HydrophobicContact CG1-CG 3.98Å; L454-E456 VanDerWaalsContact C-OE2 3.28Å; L454-E456 WeakPolarHBondContact CA-OE2 3.47Å; L454-E456 WeakPolarHBondContact CB-OE2 3.38Å; L454-A462 HydrophobicContact CB-CB 4.36Å; L454-A462 HydrophobicContact CD1-CB 4.5Å; L454-A462 WeakPolarHBondContact CD2-O 3.4Å; L454-H465 HydrophobicContact CD2-CB 4.25Å; L454-L466 HydrophobicContact CD1-CB 4.22Å; L454-L466 HydrophobicContact CD1-CD2 4.38Å; L454-L466 HydrophobicContact CD2-CB 4.29Å
455	D	97.6	Very high	97.6	Very high	76 Å²	76	66.1 Å²	66.1	41%	0.406	35%	0.347	S	S	.	.			trans	-118.3	16.3	174.4	67.2	10.1	0	0	0	115	K410	K410-D455 HydrophobicContact CB-CB 4Å; K410-D455 HydrophobicContact CD-CB 3.89Å; K410-D455 WeakPolarHBondContact CE-OD2 3.38Å; K410-D455 HydrophobicContact CG-CB 3.97Å; K410-D455 IonicContact NZ-OD2 3.23Å; K410-D455 PolarHBondContact NZ-OD2 3.33Å; K410-D455 WeakPolarHBondContact O-CA 3.44Å; K410-D455 WeakPolarHBondContact O-CB 3.32Å
456	E	98.1	Very high	97.7	Very high	60 Å²	60	65.4 Å²	65.4	28%	0.28	34%	0.342	S	S	.	.			trans	-63.4	152.9	167.3	-48.2	73.6	-164.1	0	0	110.8	L454 D461 A462 H465	L454-E456 VanDerWaalsContact C-OE2 3.28Å; L454-E456 WeakPolarHBondContact CA-OE2 3.47Å; L454-E456 WeakPolarHBondContact CB-OE2 3.38Å; E456-D461 HydrophobicContact CB-CB 3.83Å; E456-D461 HydrophobicContact CG-CB 3.98Å; E456-A462 HydrophobicContact CB-CB 4.13Å; E456-A462 WeakPolarHBondContact OE2-CA 3.47Å; E456-A462 WeakPolarHBondContact OE2-CB 3.31Å; E456-H465 IonicContact OE1-CE1 3.63Å; E456-H465 IonicContact OE1-CG 3.64Å; E456-H465 IonicContact OE1-ND1 3.62Å; E456-H465 PolarHBondContact OE1-ND1 3.36Å
457	N	96.1	Very high	97.8	Very high	141 Å²	141	62.3 Å²	62.3	75%	0.754	32%	0.322	S	S	*	.	S	Bend	trans	-104.7	-9.8	-176	65	67.9	0	0	0	114.5
458	Q	97.8	Very high	97.9	Very high	104 Å²	104	64.4 Å²	64.4	49%	0.486	32%	0.324	S	S	.	.	S	Bend	trans	-99.3	149.7	166.8	-54.2	-53.1	-56.9	0	0	109.9	D461 A462	Q458-D461 HydrophobicContact CB-CB 4.36Å; Q458-D461 WeakPolarHBondContact CB-OD2 3.47Å; Q458-D461 WeakPolarHBondContact CG-OD2 3.45Å; Q458-A462 PolarHBondContact O-N 3.25Å
459	L	96.9	Very high	98	Very high	85 Å²	85	60.1 Å²	60.1	45%	0.445	30%	0.304	S	S	.	.	H	α-helix	trans	-65.5	-41.8	176.3	-179.9	63.2	0	0	0	111	A254 V255 A462 C463	A254-L459 HydrophobicContact CB-CD1 4.01Å; A254-L459 HydrophobicContact CB-CD2 4.08Å; V255-L459 HydrophobicContact CG2-CD1 4.47Å; L459-A462 PolarHBondContact O-N 2.82Å; L459-C463 WeakPolarHBondContact O-CB 3.46Å; L459-C463 PolarHBondContact O-N 3.36Å; L459-C463 PolarHBondContact O-SG 3.37Å
460	D	97.8	Very high	98.1	Very high	123 Å²	123	56.9 Å²	56.9	66%	0.658	29%	0.287	S	S	*	.	H	α-helix	trans	-66.3	-44.6	-174.6	-54.1	-57.6	0	0	0	111.9	A462 C463 E464	D460-A462 PolarHBondContact O-N 3.12Å; D460-C463 PolarHBondContact O-N 2.84Å; D460-E464 PolarHBondContact O-N 3.08Å
461	D	98.5	Very high	98.1	Very high	90 Å²	90	57.8 Å²	57.8	48%	0.481	29%	0.291	S	S	.	.	H	α-helix	trans	-57.7	-49.9	175.8	-60.5	-24	0	0	0	111.7	E456 Q458 C463 E464 H465	E456-D461 HydrophobicContact CB-CB 3.83Å; E456-D461 HydrophobicContact CG-CB 3.98Å; Q458-D461 HydrophobicContact CB-CB 4.36Å; Q458-D461 WeakPolarHBondContact CB-OD2 3.47Å; Q458-D461 WeakPolarHBondContact CG-OD2 3.45Å; D461-C463 VanDerWaalsContact C-N 3.28Å; D461-C463 PolarHBondContact O-N 3.45Å; D461-E464 PolarHBondContact O-N 2.89Å; D461-H465 PolarHBondContact O-N 3.02Å; D461-H465 VanDerWaalsContact O-N 3.12Å
462	A	98.5	Very high	98.1	Very high	12 Å²	12	56.9 Å²	56.9	10%	0.099	29%	0.292	C	S	.	.	H	α-helix	trans	-62.9	-35.1	177.3	0	0	0	0	0	112.2	L454 E456 Q458 L459 D460 L466	L454-A462 HydrophobicContact CB-CB 4.36Å; L454-A462 HydrophobicContact CD1-CB 4.5Å; L454-A462 WeakPolarHBondContact CD2-O 3.4Å; E456-A462 HydrophobicContact CB-CB 4.13Å; E456-A462 WeakPolarHBondContact OE2-CA 3.47Å; E456-A462 WeakPolarHBondContact OE2-CB 3.31Å; Q458-A462 PolarHBondContact O-N 3.25Å; L459-A462 PolarHBondContact O-N 2.82Å; D460-A462 PolarHBondContact O-N 3.12Å; A462-L466 WeakPolarHBondContact O-CB 3.28Å; A462-L466 PolarHBondContact O-N 3.14Å; A462-L466 VanDerWaalsContact O-N 3.1Å
463	C	98.4	Very high	98.1	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.014	30%	0.295	C	S	.	.	H	α-helix	trans	-74	-35.6	179.6	-74.9	0	0	0	0	112.5	F258 L459 D460 D461 A467	F258-C463 HydrophobicContact CD1-CB 3.62Å; F258-C463 HydrophobicContact CD2-CB 3.75Å; F258-C463 HydrophobicContact CE1-CB 3.57Å; F258-C463 WeakPolarHBondContact CE1-O 3.2Å; F258-C463 HydrophobicContact CE2-CB 3.7Å; F258-C463 HydrophobicContact CG-CB 3.7Å; F258-C463 VanDerWaalsContact CG-SG 3.59Å; F258-C463 HydrophobicContact CZ-CB 3.59Å; F258-C463 VanDerWaalsContact CZ-O 3.28Å; F258-C463 WeakPolarHBondContact CZ-O 3.38Å; L459-C463 WeakPolarHBondContact O-CB 3.46Å; L459-C463 PolarHBondContact O-N 3.36Å; L459-C463 PolarHBondContact O-SG 3.37Å; D460-C463 PolarHBondContact O-N 2.84Å; D461-C463 VanDerWaalsContact C-N 3.28Å; D461-C463 PolarHBondContact O-N 3.45Å; C463-A467 WeakPolarHBondContact O-CB 3.45Å; C463-A467 PolarHBondContact O-N 2.82Å
464	E	98.4	Very high	98.1	Very high	107 Å²	107	57.9 Å²	57.9	50%	0.5	29%	0.292	S	S	.	.	H	α-helix	trans	-74.9	-40.1	177	-166.9	60	-163.5	0	0	112	D460 D461 L466 A467 E468	D460-E464 PolarHBondContact O-N 3.08Å; D461-E464 PolarHBondContact O-N 2.89Å; E464-L466 VanDerWaalsContact C-N 3.32Å; E464-L466 PolarHBondContact O-N 3.29Å; E464-A467 PolarHBondContact O-N 3.05Å; E464-A467 VanDerWaalsContact O-N 3.09Å; E464-E468 PolarHBondContact O-N 3.38Å
465	H	98.6	Very high	98	Very high	72 Å²	72	62.6 Å²	62.6	33%	0.333	31%	0.309	S	S	.	.	H	α-helix	trans	-57.2	-45.7	169.9	174.1	-167.3	0	0	0	111.3	I453 L454 E456 D461 A467 E468 H469	I453-H465 PolarHBondContact O-CE1 3.21Å; I453-H465 VanDerWaalsContact O-CE1 3.31Å; L454-H465 HydrophobicContact CD2-CB 4.25Å; E456-H465 IonicContact OE1-CE1 3.63Å; E456-H465 IonicContact OE1-CG 3.64Å; E456-H465 IonicContact OE1-ND1 3.62Å; E456-H465 PolarHBondContact OE1-ND1 3.36Å; D461-H465 PolarHBondContact O-N 3.02Å; D461-H465 VanDerWaalsContact O-N 3.12Å; H465-A467 VanDerWaalsContact C-N 3.34Å; H465-A467 PolarHBondContact O-N 3.48Å; H465-E468 PolarHBondContact O-N 3.16Å; H465-H469 PolarHBondContact O-N 3.13Å
466	L	98.6	Very high	98	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-59.5	-42.3	172.9	173.2	60.2	0	0	0	112.6	V255 L259 I407 L454 A462 E464 L470	V255-L466 HydrophobicContact CG1-CD2 3.39Å; L259-L466 HydrophobicContact CD1-CD2 4.21Å; L259-L466 HydrophobicContact CD2-CD2 3.85Å; L259-L466 HydrophobicContact CD2-CG 4.06Å; L259-L466 HydrophobicContact CG-CD2 4.05Å; I407-L466 HydrophobicContact CD1-CD1 3.29Å; I407-L466 HydrophobicContact CG2-CD1 4.33Å; L454-L466 HydrophobicContact CD1-CB 4.22Å; L454-L466 HydrophobicContact CD1-CD2 4.38Å; L454-L466 HydrophobicContact CD2-CB 4.29Å; A462-L466 WeakPolarHBondContact O-CB 3.28Å; A462-L466 PolarHBondContact O-N 3.14Å; A462-L466 VanDerWaalsContact O-N 3.1Å; E464-L466 VanDerWaalsContact C-N 3.32Å; E464-L466 PolarHBondContact O-N 3.29Å; L466-L470 HydrophobicContact CD1-CD1 3.84Å; L466-L470 HydrophobicContact CD1-CG 4.23Å; L466-L470 HydrophobicContact CG-CD1 4.21Å; L466-L470 WeakPolarHBondContact O-CG 3.24Å; L466-L470 PolarHBondContact O-N 3.21Å; L466-L470 VanDerWaalsContact O-N 3.14Å
467	A	98.6	Very high	98	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-67.5	-42.3	179.5	0	0	0	0	0	112.2	F258 R262 F263 C463 E464 H465 H469 L470 E471	F258-A467 HydrophobicContact CE1-CB 4.19Å; F258-A467 HydrophobicContact CZ-CB 4.04Å; R262-A467 HydrophobicContact CG-CB 4.18Å; F263-A467 HydrophobicContact CE2-CB 4.29Å; F263-A467 HydrophobicContact CZ-CB 4.22Å; C463-A467 WeakPolarHBondContact O-CB 3.45Å; C463-A467 PolarHBondContact O-N 2.82Å; E464-A467 PolarHBondContact O-N 3.05Å; E464-A467 VanDerWaalsContact O-N 3.09Å; H465-A467 VanDerWaalsContact C-N 3.34Å; H465-A467 PolarHBondContact O-N 3.48Å; A467-H469 PolarHBondContact O-N 3.2Å; A467-L470 PolarHBondContact O-N 3.44Å; A467-E471 WeakPolarHBondContact O-CB 3.46Å; A467-E471 VanDerWaalsContact O-CG 3.27Å; A467-E471 WeakPolarHBondContact O-CG 3.19Å; A467-E471 PolarHBondContact O-N 3.5Å
468	E	98.4	Very high	98	Very high	132 Å²	132	52.9 Å²	52.9	62%	0.617	26%	0.259	S	S	*	.	H	α-helix	trans	-57.9	-47.8	176.6	-175.1	178	-164.6	0	0	111.2	E464 H465 L470 E471 A472	E464-E468 PolarHBondContact O-N 3.38Å; H465-E468 PolarHBondContact O-N 3.16Å; E468-L470 PolarHBondContact O-N 3.05Å; E468-E471 PolarHBondContact O-N 2.96Å; E468-A472 WeakPolarHBondContact O-CB 3.21Å; E468-A472 PolarHBondContact O-N 3.3Å
469	H	98.5	Very high	97.7	Very high	57 Å²	57	50.2 Å²	50.2	26%	0.264	25%	0.251	S	S	.	.	H	α-helix	trans	-60.7	-43.7	177.5	-175.2	104.8	0	0	0	112	D451 V452 H465 A467 A472 Y473	D451-H469 PolarHBondContact O-CE1 3.29Å; V452-H469 HydrophobicContact CG2-CB 3.91Å; V452-H469 WeakPolarHBondContact CG2-ND1 3.46Å; H465-H469 PolarHBondContact O-N 3.13Å; A467-H469 PolarHBondContact O-N 3.2Å; H469-A472 PolarHBondContact O-N 3.39Å; H469-Y473 WeakPolarHBondContact O-CB 3.48Å; H469-Y473 PolarHBondContact O-N 3.44Å
470	L	98.6	Very high	97.2	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-72.4	-31.2	-179.7	-69	176.8	0	0	0	113	V235 L259 F263 I405 L466 A467 E468 Y473 W474	V235-L470 HydrophobicContact CG2-CD2 3.88Å; L259-L470 HydrophobicContact CD2-CD1 3.51Å; F263-L470 HydrophobicContact CE1-CB 4.11Å; F263-L470 HydrophobicContact CE2-CB 4.28Å; F263-L470 HydrophobicContact CE2-CD1 4.19Å; F263-L470 HydrophobicContact CZ-CB 3.65Å; F263-L470 HydrophobicContact CZ-CD1 4.39Å; I405-L470 HydrophobicContact CD1-CD2 4.46Å; L466-L470 HydrophobicContact CD1-CD1 3.84Å; L466-L470 HydrophobicContact CD1-CG 4.23Å; L466-L470 HydrophobicContact CG-CD1 4.21Å; L466-L470 WeakPolarHBondContact O-CG 3.24Å; L466-L470 PolarHBondContact O-N 3.21Å; L466-L470 VanDerWaalsContact O-N 3.14Å; A467-L470 PolarHBondContact O-N 3.44Å; E468-L470 PolarHBondContact O-N 3.05Å; L470-Y473 PolarHBondContact O-N 2.86Å; L470-W474 WeakPolarHBondContact O-CB 3.43Å; L470-W474 PolarHBondContact O-N 3.17Å
471	E	98.2	Very high	96.1	Very high	38 Å²	38	50.5 Å²	50.5	18%	0.178	26%	0.263	C	S	.	.	H	α-helix	trans	-73.3	-31.6	171.2	-65.3	-72.6	-162	0	0	112.1	R262 F263 R266 A467 E468 W474 R475	R262-E471 IonicContact CZ-OE1 3.4Å; R262-E471 IonicContact NH1-OE1 2.64Å; R262-E471 PolarHBondContact NH1-OE1 2.92Å; R262-E471 IonicContact NH2-OE1 2.69Å; F263-E471 HydrophobicContact CE1-CG 3.88Å; F263-E471 HydrophobicContact CZ-CG 4.08Å; R266-E471 IonicContact CZ-OE1 3.29Å; R266-E471 IonicContact CZ-OE2 3.75Å; R266-E471 IonicContact NH1-OE1 3.5Å; R266-E471 IonicContact NH1-OE2 3.19Å; R266-E471 PolarHBondContact NH1-OE2 3.07Å; R266-E471 IonicContact NH2-OE1 3.06Å; R266-E471 PolarHBondContact NH2-OE1 3.03Å; R266-E471 IonicContact NH2-OE2 2.78Å; R266-E471 PolarHBondContact NH2-OE2 2.81Å; A467-E471 WeakPolarHBondContact O-CB 3.46Å; A467-E471 VanDerWaalsContact O-CG 3.27Å; A467-E471 WeakPolarHBondContact O-CG 3.19Å; A467-E471 PolarHBondContact O-N 3.5Å; E468-E471 PolarHBondContact O-N 2.96Å; E471-W474 PolarHBondContact O-N 3.04Å; E471-R475 WeakPolarHBondContact O-CG 3.23Å; E471-R475 PolarHBondContact O-N 3.39Å; E471-R475 PolarHBondContact O-NE 2.97Å; E471-R475 VanDerWaalsContact O-NE 3.13Å
472	A	97.9	Very high	94.6	Very high	37 Å²	37	55.2 Å²	55.2	31%	0.306	28%	0.279	S	S	.	.	H	α-helix	trans	-66.6	-43.6	169.1	0	0	0	0	0	111.4	E468 H469 W474 R475 A476	E468-A472 WeakPolarHBondContact O-CB 3.21Å; E468-A472 PolarHBondContact O-N 3.3Å; H469-A472 PolarHBondContact O-N 3.39Å; A472-W474 VanDerWaalsContact C-N 3.33Å; A472-W474 PolarHBondContact O-N 3.05Å; A472-R475 PolarHBondContact O-N 2.99Å; A472-A476 WeakPolarHBondContact O-CB 3.46Å; A472-A476 PolarHBondContact O-N 3.09Å
473	Y	98.4	Very high	92.7	Very high	26 Å²	26	59.6 Å²	59.6	10%	0.102	31%	0.309	C	S	.	.	H	α-helix	trans	-64.1	-37.2	173.3	-177	-115.4	0	0	0	112.3	V124 M232 R233 L383 I405 H469 L470 A476 T477	V124-Y473 HydrophobicContact CG1-CE2 4.23Å; M232-Y473 HydrophobicContact CE-CD1 4.42Å; M232-Y473 HydrophobicContact CE-CE1 3.86Å; M232-Y473 HydrophobicContact SD-CE1 4.48Å; R233-Y473 PolarHBondContact N-OH 3.37Å; L383-Y473 HydrophobicContact CD2-CD1 4.05Å; L383-Y473 HydrophobicContact CD2-CE1 4.46Å; I405-Y473 HydrophobicContact CD1-CD1 3.57Å; I405-Y473 HydrophobicContact CD1-CD2 4.27Å; I405-Y473 HydrophobicContact CD1-CE1 3.67Å; I405-Y473 HydrophobicContact CD1-CE2 4.38Å; I405-Y473 HydrophobicContact CD1-CG 3.9Å; H469-Y473 WeakPolarHBondContact O-CB 3.48Å; H469-Y473 PolarHBondContact O-N 3.44Å; L470-Y473 PolarHBondContact O-N 2.86Å; Y473-A476 PolarHBondContact O-N 2.82Å; Y473-T477 HydrophobicContact CD2-CG2 4.22Å; Y473-T477 HydrophobicContact CE1-CG2 4.02Å; Y473-T477 HydrophobicContact CE2-CG2 3.63Å; Y473-T477 VanDerWaalsContact CZ-CG2 3.5Å; Y473-T477 WeakPolarHBondContact O-CB 3.49Å; Y473-T477 WeakPolarHBondContact O-CG2 3.33Å; Y473-T477 PolarHBondContact O-N 3.18Å; Y473-T477 PolarHBondContact O-OG1 2.94Å
474	W	97.9	Very high	90.7	Very high	47 Å²	47	63 Å²	63	18%	0.178	33%	0.331	C	S	.	.	H	α-helix	trans	-60.4	-48.1	173.1	-172.9	-93.3	0	0	0	111.5	M232 R266 L383 L470 E471 A472 A476 T477 H478	M232-W474 HydrophobicContact CE-CE3 4.32Å; M232-W474 HydrophobicContact CE-CZ3 4.42Å; R266-W474 HydrophobicContact CB-CH2 3.86Å; R266-W474 HydrophobicContact CB-CZ2 4.43Å; R266-W474 HydrophobicContact CB-CZ3 3.96Å; R266-W474 HydrophobicContact CG-CH2 3.91Å; R266-W474 HydrophobicContact CG-CZ2 4.03Å; R266-W474 HydrophobicContact CG-CZ3 4.45Å; L383-W474 HydrophobicContact CD1-CE3 4.44Å; L383-W474 HydrophobicContact CD2-CE3 4.25Å; L383-W474 HydrophobicContact CG-CE3 3.91Å; L383-W474 HydrophobicContact CG-CZ3 4.15Å; L470-W474 WeakPolarHBondContact O-CB 3.43Å; L470-W474 PolarHBondContact O-N 3.17Å; E471-W474 PolarHBondContact O-N 3.04Å; A472-W474 VanDerWaalsContact C-N 3.33Å; A472-W474 PolarHBondContact O-N 3.05Å; W474-A476 PolarHBondContact O-N 3.1Å; W474-T477 WeakPolarHBondContact CA-OG1 3.47Å; W474-T477 PolarHBondContact O-N 3.34Å; W474-T477 PolarHBondContact O-OG1 3.05Å; W474-H478 AromaticContact CD2-CE1 3.81Å; W474-H478 AromaticContact CD2-ND1 3.62Å; W474-H478 AromaticContact CE2-CE1 3.76Å; W474-H478 AromaticContact CE2-CG 3.92Å; W474-H478 AromaticContact CE2-ND1 3.62Å; W474-H478 AromaticContact CE3-CE1 3.72Å; W474-H478 AromaticContact CE3-ND1 3.95Å; W474-H478 AromaticContact CH2-CE1 3.56Å; W474-H478 AromaticContact CH2-NE2 3.7Å; W474-H478 AromaticContact CZ2-CD2 3.99Å; W474-H478 AromaticContact CZ2-CE1 3.65Å; W474-H478 AromaticContact CZ2-ND1 3.96Å; W474-H478 AromaticContact CZ2-NE2 3.68Å; W474-H478 AromaticContact CZ3-CE1 3.61Å; W474-H478 VanDerWaalsContact O-CB 3.31Å; W474-H478 WeakPolarHBondContact O-CB 3.43Å; W474-H478 PolarHBondContact O-N 2.91Å; W474-H478 PolarHBondContact O-ND1 3.46Å; W474-H478 VanDerWaalsContact O-ND1 3.11Å
475	R	97.3	Very high	88.6	Confident	104 Å²	104	62.9 Å²	62.9	39%	0.392	34%	0.34	S	S	.	.	H	α-helix	trans	-65.2	-35.7	175.9	-70.4	174.8	-68.2	130.6	-10.2	112.9	E126 E471 A472 T477	E126-R475 WeakPolarHBondContact OE1-CB 3.48Å; E126-R475 WeakPolarHBondContact OE1-CD 3.05Å; E126-R475 IonicContact OE1-CZ 3.14Å; E126-R475 IonicContact OE1-NE 2.76Å; E126-R475 IonicContact OE1-NH1 3.59Å; E126-R475 PolarHBondContact OE1-NH1 3.12Å; E126-R475 IonicContact OE2-CZ 2.67Å; E126-R475 IonicContact OE2-NH1 3.71Å; E126-R475 PolarHBondContact OE2-NH1 3.44Å; E471-R475 WeakPolarHBondContact O-CG 3.23Å; E471-R475 PolarHBondContact O-N 3.39Å; E471-R475 PolarHBondContact O-NE 2.97Å; E471-R475 VanDerWaalsContact O-NE 3.13Å; A472-R475 PolarHBondContact O-N 2.99Å; R475-T477 VanDerWaalsContact C-N 3.3Å; R475-T477 PolarHBondContact O-N 3.37Å
476	A	97.6	Very high	86.2	Confident	10 Å²	10	67.8 Å²	67.8	8%	0.083	36%	0.363	C	S	.	.	H	α-helix	trans	-66.7	-29.1	174.8	0	0	0	0	0	113.5	R122 V124 A472 Y473 W474	R122-A476 PolarHBondContact NH1-O 3.1Å; V124-A476 HydrophobicContact CG1-CB 4.5Å; A472-A476 WeakPolarHBondContact O-CB 3.46Å; A472-A476 PolarHBondContact O-N 3.09Å; Y473-A476 PolarHBondContact O-N 2.82Å; W474-A476 PolarHBondContact O-N 3.1Å
477	T	97	Very high	83.7	Confident	3 Å²	3	74.8 Å²	74.8	2%	0.018	40%	0.398	C	S	.	.	H	α-helix	trans	-93	-26.3	179	47.3	0	0	0	0	113.7	V124 M232 Y473 W474 R475 P479	V124-T477 HydrophobicContact CG1-CG2 3.51Å; M232-T477 HydrophobicContact CE-CG2 4.14Å; M232-T477 HydrophobicContact SD-CG2 3.62Å; Y473-T477 HydrophobicContact CD2-CG2 4.22Å; Y473-T477 HydrophobicContact CE1-CG2 4.02Å; Y473-T477 HydrophobicContact CE2-CG2 3.63Å; Y473-T477 VanDerWaalsContact CZ-CG2 3.5Å; Y473-T477 WeakPolarHBondContact O-CB 3.49Å; Y473-T477 WeakPolarHBondContact O-CG2 3.33Å; Y473-T477 PolarHBondContact O-N 3.18Å; Y473-T477 PolarHBondContact O-OG1 2.94Å; W474-T477 WeakPolarHBondContact CA-OG1 3.47Å; W474-T477 PolarHBondContact O-N 3.34Å; W474-T477 PolarHBondContact O-OG1 3.05Å; R475-T477 VanDerWaalsContact C-N 3.3Å; R475-T477 PolarHBondContact O-N 3.37Å; T477-P479 VanDerWaalsContact C-CD 3.47Å; T477-P479 WeakPolarHBondContact O-CD 3.19Å
478	H	95.6	Very high	80.5	Confident	60 Å²	60	84.6 Å²	84.6	28%	0.278	44%	0.435	S	S	.	.	S	Bend	trans	-114.8	74	-177.6	-63.5	79.9	0	0	0	111.8	M381 W474	M381-H478 PolarHBondContact O-CE1 2.83Å; M381-H478 PolarHBondContact O-NE2 2.84Å; W474-H478 AromaticContact CD2-CE1 3.81Å; W474-H478 AromaticContact CD2-ND1 3.62Å; W474-H478 AromaticContact CE2-CE1 3.76Å; W474-H478 AromaticContact CE2-CG 3.92Å; W474-H478 AromaticContact CE2-ND1 3.62Å; W474-H478 AromaticContact CE3-CE1 3.72Å; W474-H478 AromaticContact CE3-ND1 3.95Å; W474-H478 AromaticContact CH2-CE1 3.56Å; W474-H478 AromaticContact CH2-NE2 3.7Å; W474-H478 AromaticContact CZ2-CD2 3.99Å; W474-H478 AromaticContact CZ2-CE1 3.65Å; W474-H478 AromaticContact CZ2-ND1 3.96Å; W474-H478 AromaticContact CZ2-NE2 3.68Å; W474-H478 AromaticContact CZ3-CE1 3.61Å; W474-H478 VanDerWaalsContact O-CB 3.31Å; W474-H478 WeakPolarHBondContact O-CB 3.43Å; W474-H478 PolarHBondContact O-N 2.91Å; W474-H478 PolarHBondContact O-ND1 3.46Å; W474-H478 VanDerWaalsContact O-ND1 3.11Å
479	P	91.2	Very high	77.5	Confident	48 Å²	48	85.6 Å²	85.6	31%	0.312	44%	0.444	S	S	.	.			trans	-62.8	142.2	176.8	28.4	-36	0	0	0	110.9	T477 V481	T477-P479 VanDerWaalsContact C-CD 3.47Å; T477-P479 WeakPolarHBondContact O-CD 3.19Å; P479-V481 PolarHBondContact O-N 3.48Å
480	P	86.4	Confident	74.5	Confident	134 Å²	134	90.4 Å²	90.4	87%	0.87	47%	0.466	S	S	*	.			trans	-70.1	98.6	-177.9	27.8	-34.6	0	0	0	111.4	K482	P480-K482 PolarHBondContact O-N 2.81Å
481	V	75.7	Confident	71.4	Confident	81 Å²	81	100.7 Å²	100.7	49%	0.491	51%	0.505	S	S	.	.			trans	-77.4	108	173.8	-178.8	0	0	0	0	108.8	Y45 P479 S483	Y45-V481 HydrophobicContact CD1-CG1 3.71Å; Y45-V481 HydrophobicContact CE1-CG1 3.69Å; P479-V481 PolarHBondContact O-N 3.48Å; V481-S483 PolarHBondContact O-N 3.01Å
482	K	68	Low	68.5	Low	189 Å²	189	104.5 Å²	104.5	82%	0.822	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-54.6	136.3	163.5	-67.7	179.6	-179.3	175.7	0	107.9	P480	P480-K482 PolarHBondContact O-N 2.81Å
483	S	58.2	Low	65.9	Low	103 Å²	103	108 Å²	108	72%	0.72	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-52.9	143.6	-179.8	44.7	0	0	0	0	110.8	V481	V481-S483 PolarHBondContact O-N 3.01Å
484	P	56.7	Low	63.4	Low	75 Å²	75	112 Å²	112	49%	0.487	58%	0.577	S	S	.	*	P	Polyproline II helix	trans	-50.7	136.8	175.7	-19.6	25.5	0	0	0	109.3	Y45 Q486	Y45-P484 HydrophobicContact CD1-CB 4.32Å; Y45-P484 HydrophobicContact CD1-CG 3.61Å; Y45-P484 HydrophobicContact CE1-CB 3.99Å; Y45-P484 HydrophobicContact CE1-CG 3.67Å; Y45-P484 HydrophobicContact CG-CG 4.16Å; P484-Q486 PolarHBondContact O-N 2.79Å
485	P	53.4	Low	60.8	Low	104 Å²	104	114.1 Å²	114.1	68%	0.675	59%	0.592	S	S	*	*			trans	-53.1	112.6	169.6	-22.8	32.6	0	0	0	107.4	I487	P485-I487 PolarHBondContact O-N 2.77Å
486	Q	49.2	Very low	58.6	Low	175 Å²	175	114.6 Å²	114.6	82%	0.818	61%	0.609	S	S	*	*			trans	-61.6	108.5	172.8	-82.8	-163.7	-1.8	0	0	106	P484 R488	P484-Q486 PolarHBondContact O-N 2.79Å; Q486-R488 PolarHBondContact O-N 3Å
487	I	45.1	Very low	56.5	Low	146 Å²	146	122 Å²	122	75%	0.749	64%	0.642	S	S	*	*			trans	-63.2	88	163.8	-57.7	176.6	0	0	0	104.6	P485 L489	P485-I487 PolarHBondContact O-N 2.77Å; I487-L489 HydrophobicContact CG2-CD2 3.97Å; I487-L489 HydrophobicContact CG2-CG 4.2Å; I487-L489 PolarHBondContact O-N 2.74Å
488	R	31.1	Very low	54.4	Low	206 Å²	206	127.9 Å²	127.9	78%	0.777	67%	0.673	S	S	*	*			trans	-59.3	93.3	160.6	-76.4	-171.4	175.5	-166	-0.1	104.3	Q486 H490	Q486-R488 PolarHBondContact O-N 3Å; R488-H490 PolarHBondContact O-N 3.33Å; R488-H490 PolarHBondContact O-ND1 3.43Å
489	L	36.3	Very low	52.3	Low	153 Å²	153	131 Å²	131	80%	0.801	70%	0.696	S	S	*	*			trans	-61.4	85.7	164.4	-72.9	174.1	0	0	0	105.8	I487 R491	I487-L489 HydrophobicContact CG2-CD2 3.97Å; I487-L489 HydrophobicContact CG2-CG 4.2Å; I487-L489 PolarHBondContact O-N 2.74Å; L489-R491 PolarHBondContact O-N 3.36Å
490	H	35	Very low	50.3	Low	158 Å²	158	139.5 Å²	139.5	73%	0.731	72%	0.722	S	S	*	*			trans	-68.3	78.1	165.1	38.2	-85.7	0	0	0	106.1	R488 T492	R488-H490 PolarHBondContact O-N 3.33Å; R488-H490 PolarHBondContact O-ND1 3.43Å; H490-T492 PolarHBondContact O-N 3.29Å
491	R	32.8	Very low	48.2	Very low	218 Å²	218	138.8 Å²	138.8	82%	0.823	72%	0.718	S	S	*	*			trans	-61.5	80.1	150.4	-178.2	-179.1	-69.8	-165.1	-1.8	105.6	L489 V493	L489-R491 PolarHBondContact O-N 3.36Å; R491-V493 HydrophobicContact CG-CG2 4.08Å; R491-V493 PolarHBondContact O-N 3.38Å
492	T	38.5	Very low	46.5	Very low	118 Å²	118	144.8 Å²	144.8	72%	0.724	74%	0.737	S	S	*	*			trans	-56.7	90.2	152.1	33.7	0	0	0	0	105.8	H490 P494	H490-T492 PolarHBondContact O-N 3.29Å; T492-P494 VanDerWaalsContact O-CD 3.26Å; T492-P494 WeakPolarHBondContact O-CD 3.41Å
493	V	42.2	Very low	45.4	Very low	109 Å²	109	141.7 Å²	141.7	66%	0.661	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-56.1	118.5	161.9	-176.9	0	0	0	0	104.5	R491 N495	R491-V493 HydrophobicContact CG-CG2 4.08Å; R491-V493 PolarHBondContact O-N 3.38Å; V493-N495 PolarHBondContact O-N 3.1Å
494	P	45.9	Very low	44.6	Very low	110 Å²	110	140 Å²	140	71%	0.714	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-58.3	126	178.4	-23.4	34.6	0	0	0	108.3	T492 P496	T492-P494 VanDerWaalsContact O-CD 3.26Å; T492-P494 WeakPolarHBondContact O-CD 3.41Å; P494-P496 WeakPolarHBondContact O-CD 3.44Å
495	N	43.4	Very low	43.9	Very low	92 Å²	92	141.5 Å²	141.5	49%	0.492	76%	0.757	S	S	.	*	P	Polyproline II helix	trans	-61.2	123	176.4	179.2	40.8	0	0	0	108.5	V493 E497 D498	V493-N495 PolarHBondContact O-N 3.1Å; N495-E497 PolarHBondContact O-N 3.46Å; N495-D498 WeakPolarHBondContact CB-OD2 3.28Å; N495-D498 PolarHBondContact ND2-OD2 3.39Å
496	P	52.3	Low	43.3	Very low	115 Å²	115	145 Å²	145	75%	0.747	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.4	-13.7	-173.2	-26.6	36.6	0	0	0	115.3	P494	P494-P496 WeakPolarHBondContact O-CD 3.44Å
497	E	52.5	Low	43	Very low	165 Å²	165	142.7 Å²	142.7	77%	0.771	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-10.3	-170.1	-54.8	-158.5	136.3	0	0	115.1	N495 V499	N495-E497 PolarHBondContact O-N 3.46Å; E497-V499 PolarHBondContact O-N 3.5Å
498	D	52.6	Low	42.8	Very low	127 Å²	127	146.5 Å²	146.5	68%	0.679	78%	0.775	S	S	*	*			trans	-78.5	2	-177.5	-72.6	-67.1	0	0	0	114.3	N495 R500	N495-D498 WeakPolarHBondContact CB-OD2 3.28Å; N495-D498 PolarHBondContact ND2-OD2 3.39Å; D498-R500 PolarHBondContact O-N 3.36Å
499	V	51	Low	43.4	Very low	125 Å²	125	147.1 Å²	147.1	76%	0.758	78%	0.783	S	S	*	*			trans	-90.4	79.9	174.7	-172.1	0	0	0	0	110.6	E497 P501	E497-V499 PolarHBondContact O-N 3.5Å; V499-P501 WeakPolarHBondContact O-CD 3.47Å
500	R	49.8	Very low	43.7	Very low	227 Å²	227	144.6 Å²	144.6	86%	0.857	78%	0.778	S	S	*	*			trans	-74.9	119.4	169.7	-67.8	-169	-178.1	-151.9	1.7	111.1	D498	D498-R500 PolarHBondContact O-N 3.36Å
501	P	42	Very low	44	Very low	119 Å²	119	145.5 Å²	145.5	77%	0.773	79%	0.787	S	S	*	*			trans	-79.4	134.7	169.6	32.5	-32.2	0	0	0	110.2	V499	V499-P501 WeakPolarHBondContact O-CD 3.47Å
502	F	41.5	Very low	44.4	Very low	206 Å²	206	142.7 Å²	142.7	90%	0.904	78%	0.784	S	S	*	*			trans	-118.4	119.1	163.3	-119.4	-86.4	0	0	0	110.1
503	S	45.1	Very low	44.7	Very low	124 Å²	124	144.5 Å²	144.5	87%	0.867	78%	0.784	S	S	*	*			trans	-85.3	145.8	178.8	-176.8	0	0	0	0	110.6
504	G	40.6	Very low	44.7	Very low	67 Å²	67	145.2 Å²	145.2	69%	0.691	79%	0.788	S	S	*	*			trans	177.3	124.2	173.5	0	0	0	0	0	115.7
505	A	41.8	Very low	44.5	Very low	107 Å²	107	144.3 Å²	144.3	88%	0.884	79%	0.79	S	S	*	*			trans	54	106.4	157.2	0	0	0	0	0	119.5
506	M	41.6	Very low	44.6	Very low	177 Å²	177	145.2 Å²	145.2	87%	0.872	80%	0.804	S	S	*	*			trans	-61.8	151.1	163.1	-52.7	171.2	-176	0	0	112.5
507	S	42.8	Very low	44.1	Very low	128 Å²	128	145.4 Å²	145.4	90%	0.895	80%	0.803	S	S	*	*			trans	-145.7	152.5	133.3	-163.8	0	0	0	0	110.9
508	R	40	Very low	43.6	Very low	225 Å²	225	142 Å²	142	85%	0.849	80%	0.797	S	S	*	*			trans	-99.1	142.1	-165.3	-61.3	172.7	179.7	157.7	-2	112.3
509	K	44.8	Very low	43.1	Very low	220 Å²	220	141.3 Å²	141.3	96%	0.957	79%	0.794	S	S	*	*			trans	-154.4	141.7	136.5	-108.6	159.7	-172.8	177.9	0	109.2
510	S	40.7	Very low	42.8	Very low	100 Å²	100	142.5 Å²	142.5	70%	0.699	79%	0.789	S	S	*	*			trans	-116	148.4	-165.5	52.8	0	0	0	0	112.4
511	L	43.1	Very low	42.5	Very low	176 Å²	176	141.3 Å²	141.3	92%	0.921	79%	0.79	S	S	*	*			trans	-147.6	162.6	133.7	-131.9	69.4	0	0	0	109.1
512	Q	41.3	Very low	42.7	Very low	159 Å²	159	146.1 Å²	146.1	74%	0.743	79%	0.793	S	S	*	*			trans	-121.1	-176.2	-165.8	-62.5	-175.9	3.2	0	0	112.7
513	H	43.1	Very low	42.9	Very low	157 Å²	157	143 Å²	143	73%	0.727	79%	0.786	S	S	*	*			trans	92.2	112.1	174.6	-58.8	-70.5	0	0	0	115.4
514	T	42.3	Very low	42.8	Very low	123 Å²	123	142.9 Å²	142.9	76%	0.755	78%	0.779	S	S	*	*				73.8	131.2	50.8	71	0	0	0	0	113.4
515	A	43.4	Very low	43.1	Very low	91 Å²	91	147.3 Å²	147.3	75%	0.752	79%	0.787	S	S	*	*			cis	-168.8	169.1	-7.1	0	0	0	0	0	110.7
516	S	44.2	Very low	43.2	Very low	112 Å²	112	151.4 Å²	151.4	78%	0.783	79%	0.788	S	S	*	*			trans	64.5	160	153.5	-139.7	0	0	0	0	117.6
517	T	41.7	Very low	43.7	Very low	118 Å²	118	156.1 Å²	156.1	72%	0.724	81%	0.808	S	S	*	*			cis	-143.9	165.1	8.3	-49.7	0	0	0	0	110.6
518	S	41.8	Very low	43.8	Very low	93 Å²	93	157.5 Å²	157.5	65%	0.65	80%	0.803	S	S	*	*			trans	-55.3	163.3	163.2	52	0	0	0	0	112.9
519	D	43.6	Very low	44	Very low	113 Å²	113	153.9 Å²	153.9	60%	0.604	80%	0.801	S	S	*	*				-172.4	166.7	74.1	-133	-24.2	0	0	0	116.3
520	K	44.1	Very low	43.9	Very low	150 Å²	150	150.3 Å²	150.3	65%	0.652	79%	0.792	S	S	*	*			trans	21.5	140.3	156.8	-66.9	141.3	-163	151	0	120.3
521	F	42.7	Very low	44.1	Very low	203 Å²	203	153.2 Å²	153.2	89%	0.89	80%	0.798	S	S	*	*				-157.6	166.8	67.1	-106.7	-87.2	0	0	0	115.4
522	R	46.3	Very low	44.2	Very low	220 Å²	220	151.8 Å²	151.8	83%	0.83	79%	0.79	S	S	*	*			trans	-105.5	147.9	179.4	-71.5	174.3	163.7	165.7	-7.4	113.2
523	N	46.6	Very low	44.4	Very low	141 Å²	141	151.3 Å²	151.3	75%	0.754	79%	0.793	S	S	*	*			trans	154.1	126.8	130	-80.8	-5.5	0	0	0	108.5
524	V	42.3	Very low	44.5	Very low	121 Å²	121	150.9 Å²	150.9	73%	0.733	80%	0.798	S	S	*	*				71.7	101.7	55.1	179.9	0	0	0	0	112.2
525	N	47.9	Very low	44.6	Very low	160 Å²	160	153.1 Å²	153.1	86%	0.856	80%	0.801	S	S	*	*				-155.5	145.4	124.1	-102.3	-10.3	0	0	0	109.7
526	Q	43.2	Very low	44.7	Very low	192 Å²	192	158.3 Å²	158.3	90%	0.897	81%	0.805	S	S	*	*			trans	-116.8	128.2	166.7	-78.1	179.9	-31.9	0	0	107.9
527	Q	52.4	Low	44.8	Very low	276 Å²	276	162.5 Å²	162.5	100%	1.29	81%	0.807	S	S	*	*			trans	-159.4	0	151.2	-112.7	176.3	-0.4	0	0	108.2

Retrieved 527 of 527 residues in 275.5 ms (Link to these results)

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