A0A077ZC95_TRITR Loading...

Elongation factor Ts, mitochondrial

Associates with the EF-Tu.GDP complex and induces the exchange of GDP to GTP. It remains bound to the aminoacyl-tRNA.EF-Tu.GTP complex up to the GTP hydrolysis stage on the ribosome.

AlphaFold DB , UniProt , Accession A0A077ZC95, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 338 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	45.5	Very low	46.1	Very low	229 Å²	229	163 Å²	163	100%	1.128	85%	0.848	S	S	*	*				0	97.2	0	-79.6	169.6	173.9	0	0	108.9
2	K	39.9	Very low	46.3	Very low	213 Å²	213	166 Å²	166	93%	0.926	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-93.6	116.5	172	-77.9	-177.3	175.8	-179.1	0	107.5
3	W	39.7	Very low	47	Very low	237 Å²	237	158.6 Å²	158.6	90%	0.898	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-78.5	121.8	175.3	-76.3	61.8	0	0	0	108.9
4	L	38.7	Very low	47.6	Very low	154 Å²	154	154.1 Å²	154.1	81%	0.806	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-82.9	139.7	165.8	-87.6	147.3	0	0	0	108.7	L6	L4-L6 PolarHBondContact O-N 3.1Å
5	P	50.8	Low	48.6	Very low	118 Å²	118	148 Å²	148	77%	0.766	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-78.4	122.9	-178	30.9	-30.1	0	0	0	110.6	G7	P5-G7 PolarHBondContact O-N 3.48Å
6	L	48.7	Very low	49.7	Very low	182 Å²	182	144.4 Å²	144.4	95%	0.953	76%	0.758	S	S	*	*			trans	-69.4	89.7	163.6	-86	93	0	0	0	108.9	L4	L4-L6 PolarHBondContact O-N 3.1Å
7	G	47.8	Very low	50.5	Low	64 Å²	64	142.5 Å²	142.5	66%	0.66	75%	0.748	S	S	*	*			trans	-158.6	31.9	-175.5	0	0	0	0	0	117	P5	P5-G7 PolarHBondContact O-N 3.48Å
8	I	51.3	Low	51.3	Low	148 Å²	148	138.2 Å²	138.2	76%	0.759	74%	0.736	S	S	*	*	S	Bend	trans	-136.3	-7.7	177.7	-61.6	-177.7	0	0	0	114.7
9	F	48.6	Very low	52.5	Low	203 Å²	203	135.3 Å²	135.3	89%	0.89	72%	0.724	S	S	*	*	S	Bend	trans	-85.8	-13.9	-170.9	-102.1	-88.4	0	0	0	117.4
10	L	47.1	Very low	53.5	Low	161 Å²	161	137.5 Å²	137.5	84%	0.843	72%	0.722	S	S	*	*	S	Bend	trans	-89.5	-25	-176.1	-94.8	107.3	0	0	0	115.6	R12	L10-R12 PolarHBondContact O-N 3.42Å
11	A	49.3	Very low	54.7	Low	84 Å²	84	133.9 Å²	133.9	69%	0.694	71%	0.708	S	S	*	*	H	α-helix	trans	-74.5	-28.2	-174.5	0	0	0	0	0	113.9	S13 S15	A11-S13 PolarHBondContact O-N 3.02Å; A11-S15 PolarHBondContact O-OG 3.27Å
12	R	47.6	Very low	56.4	Low	199 Å²	199	124.4 Å²	124.4	75%	0.751	67%	0.669	S	S	*	*	H	α-helix	trans	-70.2	-29.6	179.5	-85.8	-179.1	164.4	-177.2	-5.2	113.7	L10 S15 D16	L10-R12 PolarHBondContact O-N 3.42Å; R12-S15 PolarHBondContact O-OG 3.49Å; R12-D16 PolarHBondContact O-N 3.16Å
13	S	56.3	Low	58.8	Low	70 Å²	70	116.1 Å²	116.1	49%	0.49	64%	0.635	S	S	.	*	H	α-helix	trans	-70	-41.9	-174.9	173.6	0	0	0	0	112.4	A11 L17	A11-S13 PolarHBondContact O-N 3.02Å; S13-L17 WeakPolarHBondContact O-CD1 3.47Å; S13-L17 PolarHBondContact O-N 3.47Å
14	C	54.5	Low	61.3	Low	95 Å²	95	111.4 Å²	111.4	64%	0.642	62%	0.621	S	S	*	*	H	α-helix	trans	-71.4	-37.3	179.1	-85.8	0	0	0	0	112.9	L17 A18	C14-L17 PolarHBondContact O-N 2.69Å; C14-A18 WeakPolarHBondContact O-CB 3.43Å; C14-A18 PolarHBondContact O-N 3.35Å
15	S	62.5	Low	64	Low	63 Å²	63	108.5 Å²	108.5	44%	0.441	61%	0.606	S	S	.	*	H	α-helix	trans	-65.9	-42.4	177.3	53.5	0	0	0	0	111.9	A11 R12 A18 V19	A11-S15 PolarHBondContact O-OG 3.27Å; R12-S15 PolarHBondContact O-OG 3.49Å; S15-A18 PolarHBondContact O-N 3.25Å; S15-V19 VanDerWaalsContact O-CG2 3.3Å; S15-V19 WeakPolarHBondContact O-CG2 3.46Å; S15-V19 PolarHBondContact O-N 2.66Å
16	D	67.3	Low	66.2	Low	90 Å²	90	105.4 Å²	105.4	48%	0.481	58%	0.583	S	S	.	*	H	α-helix	trans	-66.1	-38.2	177.5	-97.5	-20.1	0	0	0	112.4	R12 R20	R12-D16 PolarHBondContact O-N 3.16Å; D16-R20 VanDerWaalsContact O-CB 3.28Å; D16-R20 WeakPolarHBondContact O-CB 3.43Å; D16-R20 WeakPolarHBondContact O-CG 3.46Å; D16-R20 PolarHBondContact O-N 3.24Å
17	L	62.4	Low	68.5	Low	112 Å²	112	97.6 Å²	97.6	59%	0.586	54%	0.542	S	S	*	.	H	α-helix	trans	-64.7	-43.7	175.5	-90.9	154.5	0	0	0	111.9	S13 C14 R20 S21	S13-L17 WeakPolarHBondContact O-CD1 3.47Å; S13-L17 PolarHBondContact O-N 3.47Å; C14-L17 PolarHBondContact O-N 2.69Å; L17-R20 PolarHBondContact O-N 3.11Å; L17-S21 WeakPolarHBondContact O-CB 3.34Å; L17-S21 PolarHBondContact O-N 3.29Å
18	A	65	Low	70.8	Confident	65 Å²	65	96.8 Å²	96.8	54%	0.537	52%	0.522	S	S	.	.	H	α-helix	trans	-64.2	-45.3	177.9	0	0	0	0	0	112	C14 S15 S21 G22	C14-A18 WeakPolarHBondContact O-CB 3.43Å; C14-A18 PolarHBondContact O-N 3.35Å; S15-A18 PolarHBondContact O-N 3.25Å; A18-S21 PolarHBondContact O-N 2.86Å; A18-G22 PolarHBondContact O-N 3.36Å
19	V	74	Confident	72.9	Confident	84 Å²	84	96 Å²	96	51%	0.509	51%	0.513	S	S	.	.	H	α-helix	trans	-62.7	-44.7	176.3	173.2	0	0	0	0	110.8	S15 S21 G22 N23	S15-V19 VanDerWaalsContact O-CG2 3.3Å; S15-V19 WeakPolarHBondContact O-CG2 3.46Å; S15-V19 PolarHBondContact O-N 2.66Å; V19-S21 VanDerWaalsContact C-N 3.32Å; V19-S21 PolarHBondContact O-N 3.5Å; V19-G22 PolarHBondContact O-N 2.96Å; V19-N23 WeakPolarHBondContact O-CB 3.42Å; V19-N23 PolarHBondContact O-N 3.34Å; V19-N23 PolarHBondContact O-OD1 2.97Å
20	R	73.8	Confident	75.1	Confident	178 Å²	178	86.3 Å²	86.3	67%	0.672	47%	0.471	S	S	*	.	H	α-helix	trans	-62.2	-38.1	176.8	-75.4	173.5	-177.9	-166.2	1.9	112.7	D16 L17 K24	D16-R20 VanDerWaalsContact O-CB 3.28Å; D16-R20 WeakPolarHBondContact O-CB 3.43Å; D16-R20 WeakPolarHBondContact O-CG 3.46Å; D16-R20 PolarHBondContact O-N 3.24Å; L17-R20 PolarHBondContact O-N 3.11Å; R20-K24 PolarHBondContact O-N 3.37Å; R20-K24 VanDerWaalsContact O-N 3.15Å
21	S	76.8	Confident	77.4	Confident	63 Å²	63	82 Å²	82	44%	0.441	44%	0.443	S	S	.	.	H	α-helix	trans	-66	-49.2	175.2	-164.8	0	0	0	0	111.1	L17 A18 V19 N23 K24 D25	L17-S21 WeakPolarHBondContact O-CB 3.34Å; L17-S21 PolarHBondContact O-N 3.29Å; A18-S21 PolarHBondContact O-N 2.86Å; V19-S21 VanDerWaalsContact C-N 3.32Å; V19-S21 PolarHBondContact O-N 3.5Å; S21-N23 VanDerWaalsContact C-N 3.31Å; S21-N23 PolarHBondContact O-N 3.12Å; S21-K24 WeakPolarHBondContact O-CB 3.41Å; S21-K24 PolarHBondContact O-N 3.35Å; S21-K24 VanDerWaalsContact O-N 3.09Å; S21-D25 PolarHBondContact O-N 3.04Å
22	G	81.4	Confident	79.5	Confident	30 Å²	30	88 Å²	88	31%	0.309	45%	0.448	S	S	.	.	H	α-helix	trans	-57.7	-42.9	177.4	0	0	0	0	0	112.5	A18 V19 K24 D25 L26	A18-G22 PolarHBondContact O-N 3.36Å; V19-G22 PolarHBondContact O-N 2.96Å; G22-K24 VanDerWaalsContact C-N 3.32Å; G22-K24 PolarHBondContact O-N 3.15Å; G22-D25 PolarHBondContact O-N 3.32Å; G22-L26 WeakPolarHBondContact O-CG 3.39Å; G22-L26 PolarHBondContact O-N 3.14Å
23	N	91.3	Very high	81.6	Confident	39 Å²	39	84 Å²	84	21%	0.209	44%	0.436	C	S	.	.	H	α-helix	trans	-62.4	-37.8	176.9	-70.4	2	0	0	0	112.5	V19 S21 L27 Y50	V19-N23 WeakPolarHBondContact O-CB 3.42Å; V19-N23 PolarHBondContact O-N 3.34Å; V19-N23 PolarHBondContact O-OD1 2.97Å; S21-N23 VanDerWaalsContact C-N 3.31Å; S21-N23 PolarHBondContact O-N 3.12Å; N23-L27 WeakPolarHBondContact O-CB 3.39Å; N23-L27 PolarHBondContact O-N 2.99Å; N23-Y50 HydrophobicContact CB-CD1 3.94Å; N23-Y50 HydrophobicContact CB-CE1 3.4Å; N23-Y50 VanDerWaalsContact CB-CE1 3.4Å; N23-Y50 VanDerWaalsContact CG-CZ 3.49Å; N23-Y50 PolarHBondContact ND2-OH 3.39Å
24	K	93.2	Very high	83.2	Confident	137 Å²	137	81 Å²	81	60%	0.596	42%	0.415	S	S	*	.	H	α-helix	trans	-67.5	-40.2	176.2	-172.6	-178.1	177	-174.8	0	111.6	R20 S21 G22 L27 L28	R20-K24 PolarHBondContact O-N 3.37Å; R20-K24 VanDerWaalsContact O-N 3.15Å; S21-K24 WeakPolarHBondContact O-CB 3.41Å; S21-K24 PolarHBondContact O-N 3.35Å; S21-K24 VanDerWaalsContact O-N 3.09Å; G22-K24 VanDerWaalsContact C-N 3.32Å; G22-K24 PolarHBondContact O-N 3.15Å; K24-L27 PolarHBondContact O-N 3.35Å; K24-L28 HydrophobicContact CG-CD1 4.2Å; K24-L28 WeakPolarHBondContact O-CG 3.48Å; K24-L28 PolarHBondContact O-N 2.99Å
25	D	95.1	Very high	84.8	Confident	94 Å²	94	82.9 Å²	82.9	50%	0.503	42%	0.419	S	S	.	.	H	α-helix	trans	-67.6	-41.6	178.2	-66.2	-26	0	0	0	111.5	S21 G22 L27 L28 K29	S21-D25 PolarHBondContact O-N 3.04Å; G22-D25 PolarHBondContact O-N 3.32Å; D25-L27 VanDerWaalsContact C-N 3.34Å; D25-L27 PolarHBondContact O-N 3.04Å; D25-L28 PolarHBondContact O-N 2.69Å; D25-K29 WeakPolarHBondContact O-CB 3.33Å; D25-K29 PolarHBondContact O-N 2.75Å
26	L	96.3	Very high	86.2	Confident	53 Å²	53	82.3 Å²	82.3	28%	0.277	41%	0.407	S	S	.	.	H	α-helix	trans	-62.5	-40.4	173.4	-65.9	177.2	0	0	0	111.9	G22 K29 L30 L45 Y50 V52	G22-L26 WeakPolarHBondContact O-CG 3.39Å; G22-L26 PolarHBondContact O-N 3.14Å; L26-K29 PolarHBondContact O-N 3.08Å; L26-L30 WeakPolarHBondContact O-CB 3.36Å; L26-L30 PolarHBondContact O-N 3.48Å; L26-L45 HydrophobicContact CB-CD1 4.39Å; L26-Y50 HydrophobicContact CD1-CD1 4.42Å; L26-V52 HydrophobicContact CB-CG2 4.43Å; L26-V52 HydrophobicContact CD2-CG2 3.74Å; L26-V52 HydrophobicContact CG-CG2 4.5Å
27	L	96.2	Very high	87.4	Confident	17 Å²	17	80.5 Å²	80.5	9%	0.089	40%	0.401	C	S	.	.	H	α-helix	trans	-62.2	-45.8	174.8	177.2	60.1	0	0	0	112.3	N23 K24 D25 L30 R31 Y38 C41 R42 L45	N23-L27 WeakPolarHBondContact O-CB 3.39Å; N23-L27 PolarHBondContact O-N 2.99Å; K24-L27 PolarHBondContact O-N 3.35Å; D25-L27 VanDerWaalsContact C-N 3.34Å; D25-L27 PolarHBondContact O-N 3.04Å; L27-L30 PolarHBondContact O-N 3.33Å; L27-R31 WeakPolarHBondContact O-CB 3.39Å; L27-R31 PolarHBondContact O-N 2.79Å; L27-Y38 HydrophobicContact CD1-CD1 4.5Å; L27-Y38 HydrophobicContact CD2-CD1 4.26Å; L27-Y38 HydrophobicContact CG-CD1 4.21Å; L27-C41 HydrophobicContact CD1-CB 3.49Å; L27-C41 VanDerWaalsContact CD1-CB 3.49Å; L27-R42 HydrophobicContact CD1-CB 4.02Å; L27-R42 HydrophobicContact CD2-CB 4.33Å; L27-L45 VanDerWaalsContact CA-CD1 3.46Å; L27-L45 HydrophobicContact CB-CD1 3.95Å; L27-L45 HydrophobicContact CD1-CD1 4.14Å
28	L	95.8	Very high	88.9	Confident	47 Å²	47	80.2 Å²	80.2	25%	0.246	39%	0.393	C	S	.	.	H	α-helix	trans	-63.6	-41.9	176.2	-76.5	161	0	0	0	111.4	K24 D25 R31 R32 Y38	K24-L28 HydrophobicContact CG-CD1 4.2Å; K24-L28 WeakPolarHBondContact O-CG 3.48Å; K24-L28 PolarHBondContact O-N 2.99Å; D25-L28 PolarHBondContact O-N 2.69Å; L28-R31 PolarHBondContact O-N 2.93Å; L28-R32 WeakPolarHBondContact O-CB 3.39Å; L28-R32 VanDerWaalsContact O-CG 3.31Å; L28-R32 WeakPolarHBondContact O-CG 3.47Å; L28-R32 PolarHBondContact O-N 3.3Å; L28-Y38 HydrophobicContact CD2-CE1 4.26Å
29	K	95.6	Very high	90.3	Very high	132 Å²	132	82.1 Å²	82.1	57%	0.574	40%	0.398	S	S	*	.	H	α-helix	trans	-60.4	-51.5	176.2	-175.9	-179.6	178.8	-176.9	0	111.1	D25 L26 R31 R32 K33	D25-K29 WeakPolarHBondContact O-CB 3.33Å; D25-K29 PolarHBondContact O-N 2.75Å; L26-K29 PolarHBondContact O-N 3.08Å; K29-R31 VanDerWaalsContact C-N 3.35Å; K29-R31 PolarHBondContact O-N 3Å; K29-R32 PolarHBondContact O-N 2.98Å; K29-K33 WeakPolarHBondContact O-CB 3.45Å; K29-K33 PolarHBondContact O-N 2.92Å
30	L	96	Very high	91.3	Very high	0 Å²	0	80.2 Å²	80.2	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-61.9	-42.9	179.6	-177.9	62.6	0	0	0	111.4	L26 L27 K33 T34 C41 L45 V52 A55 E56 L59	L26-L30 WeakPolarHBondContact O-CB 3.36Å; L26-L30 PolarHBondContact O-N 3.48Å; L27-L30 PolarHBondContact O-N 3.33Å; L30-K33 PolarHBondContact O-N 3.43Å; L30-T34 HydrophobicContact CD1-CG2 3.72Å; L30-T34 HydrophobicContact CG-CG2 4.45Å; L30-T34 WeakPolarHBondContact O-CB 3.34Å; L30-T34 WeakPolarHBondContact O-CG2 3.34Å; L30-T34 PolarHBondContact O-N 3.08Å; L30-T34 PolarHBondContact O-OG1 2.93Å; L30-C41 HydrophobicContact CD2-CB 4.05Å; L30-C41 HydrophobicContact CG-CB 4.35Å; L30-L45 HydrophobicContact CB-CD1 4.41Å; L30-L45 HydrophobicContact CD2-CD1 4.06Å; L30-L45 HydrophobicContact CD2-CD2 4.05Å; L30-L45 HydrophobicContact CD2-CG 3.72Å; L30-V52 HydrophobicContact CD1-CG1 4.28Å; L30-A55 HydrophobicContact CD2-CB 4.01Å; L30-E56 HydrophobicContact CD1-CB 3.81Å; L30-E56 HydrophobicContact CD1-CG 4.43Å; L30-L59 HydrophobicContact CD2-CD2 4.4Å
31	R	95.1	Very high	92.4	Very high	70 Å²	70	71.8 Å²	71.8	26%	0.264	35%	0.353	S	S	.	.	H	α-helix	trans	-64.1	-44.6	176.9	178.8	177.5	173.5	95.3	-10.7	112.4	L27 L28 K29 K33 T34 N35 Y36 Y38	L27-R31 WeakPolarHBondContact O-CB 3.39Å; L27-R31 PolarHBondContact O-N 2.79Å; L28-R31 PolarHBondContact O-N 2.93Å; K29-R31 VanDerWaalsContact C-N 3.35Å; K29-R31 PolarHBondContact O-N 3Å; R31-K33 VanDerWaalsContact C-N 3.28Å; R31-K33 PolarHBondContact O-N 3.14Å; R31-T34 PolarHBondContact O-N 3Å; R31-N35 WeakPolarHBondContact O-CA 3.5Å; R31-N35 PolarHBondContact O-N 2.83Å; R31-Y36 PolarHBondContact NH1-O 3.32Å; R31-Y38 VanDerWaalsContact CD-CD1 3.47Å; R31-Y38 VanDerWaalsContact CD-CE2 3.46Å; R31-Y38 HydrophobicContact CG-CE1 4.46Å; R31-Y38 VanDerWaalsContact NE-CZ 3.29Å; R31-Y38 VanDerWaalsContact NH1-CD2 3.34Å
32	R	93.7	Very high	93.3	Very high	209 Å²	209	74.9 Å²	74.9	79%	0.789	36%	0.355	S	S	*	.	H	α-helix	trans	-63.9	-37	178.2	-74.8	176.7	-176.8	179.6	1.4	111.7	L28 K29	L28-R32 WeakPolarHBondContact O-CB 3.39Å; L28-R32 VanDerWaalsContact O-CG 3.31Å; L28-R32 WeakPolarHBondContact O-CG 3.47Å; L28-R32 PolarHBondContact O-N 3.3Å; K29-R32 PolarHBondContact O-N 2.98Å
33	K	91.8	Very high	94	Very high	117 Å²	117	79.3 Å²	79.3	51%	0.509	36%	0.362	S	S	.	.	H	α-helix	trans	-69.9	-40.1	178.6	-170.9	178.9	-179.1	-168.9	0	112.5	K29 L30 R31 E56	K29-K33 WeakPolarHBondContact O-CB 3.45Å; K29-K33 PolarHBondContact O-N 2.92Å; L30-K33 PolarHBondContact O-N 3.43Å; R31-K33 VanDerWaalsContact C-N 3.28Å; R31-K33 PolarHBondContact O-N 3.14Å; K33-E56 WeakPolarHBondContact CD-OE2 3.45Å; K33-E56 WeakPolarHBondContact CE-OE1 3.36Å; K33-E56 VanDerWaalsContact CE-OE2 3.23Å; K33-E56 WeakPolarHBondContact CE-OE2 3.32Å; K33-E56 IonicContact NZ-OE1 3.44Å; K33-E56 PolarHBondContact NZ-OE1 2.89Å; K33-E56 IonicContact NZ-OE2 2.65Å; K33-E56 PolarHBondContact NZ-OE2 2.93Å
34	T	90.4	Very high	94.3	Very high	7 Å²	7	77.4 Å²	77.4	4%	0.043	35%	0.352	C	S	.	.	H	α-helix	trans	-107.3	-19.3	-168.6	63.7	0	0	0	0	114.8	L30 R31 Y36 E56	L30-T34 HydrophobicContact CD1-CG2 3.72Å; L30-T34 HydrophobicContact CG-CG2 4.45Å; L30-T34 WeakPolarHBondContact O-CB 3.34Å; L30-T34 WeakPolarHBondContact O-CG2 3.34Å; L30-T34 PolarHBondContact O-N 3.08Å; L30-T34 PolarHBondContact O-OG1 2.93Å; R31-T34 PolarHBondContact O-N 3Å; T34-Y36 VanDerWaalsContact CB-CD2 3.49Å; T34-Y36 HydrophobicContact CG2-CD2 4.42Å; T34-Y36 PolarHBondContact O-N 3.43Å; T34-E56 HydrophobicContact CG2-CG 3.86Å
35	N	88	Confident	94.5	Very high	134 Å²	134	71 Å²	71	72%	0.717	32%	0.324	S	S	*	.			trans	61	13.1	-175.1	-149.6	21.5	0	0	0	116.1	R31	R31-N35 WeakPolarHBondContact O-CA 3.5Å; R31-N35 PolarHBondContact O-N 2.83Å
36	Y	90.6	Very high	94.5	Very high	51 Å²	51	71.5 Å²	71.5	20%	0.2	32%	0.324	C	S	.	.			trans	-75.4	167.4	175.7	-67.5	-62.7	0	0	0	113.6	R31 T34 L59 N60 A63	R31-Y36 PolarHBondContact NH1-O 3.32Å; T34-Y36 VanDerWaalsContact CB-CD2 3.49Å; T34-Y36 HydrophobicContact CG2-CD2 4.42Å; T34-Y36 PolarHBondContact O-N 3.43Å; Y36-L59 HydrophobicContact CD2-CD1 4.21Å; Y36-L59 HydrophobicContact CD2-CD2 3.31Å; Y36-L59 HydrophobicContact CD2-CG 3.41Å; Y36-L59 VanDerWaalsContact CD2-CG 3.41Å; Y36-L59 HydrophobicContact CE2-CD2 4.1Å; Y36-L59 HydrophobicContact CE2-CG 3.83Å; Y36-L59 HydrophobicContact CG-CD1 4.37Å; Y36-L59 HydrophobicContact CG-CD2 3.99Å; Y36-L59 HydrophobicContact CG-CG 4.04Å; Y36-N60 WeakPolarHBondContact CE2-OD1 3.37Å; Y36-N60 PolarHBondContact OH-OD1 3.11Å; Y36-A63 HydrophobicContact CE1-CB 3.61Å; Y36-A63 WeakPolarHBondContact OH-CB 3.43Å
37	S	92.2	Very high	94.5	Very high	51 Å²	51	74.6 Å²	74.6	36%	0.357	34%	0.335	S	S	.	.			trans	-59.5	144.8	179.4	81.6	0	0	0	0	111.9	V39 N40 C41	S37-V39 PolarHBondContact O-N 2.88Å; S37-N40 PolarHBondContact O-N 3.33Å; S37-N40 VanDerWaalsContact O-N 3.08Å; S37-N40 WeakPolarHBondContact OG-CB 3.44Å; S37-N40 PolarHBondContact OG-N 3.5Å; S37-N40 VanDerWaalsContact OG-N 3.17Å; S37-N40 PolarHBondContact OG-ND2 3.48Å; S37-C41 PolarHBondContact O-N 2.7Å; S37-C41 PolarHBondContact O-SG 3.14Å; S37-C41 VanDerWaalsContact O-SG 3.4Å
38	Y	94.8	Very high	94.6	Very high	106 Å²	106	76.2 Å²	76.2	42%	0.416	34%	0.342	S	S	.	.	H	α-helix	trans	-55.9	-35.8	178.5	-84	-72.4	0	0	0	112.1	L27 L28 R31 R42	L27-Y38 HydrophobicContact CD1-CD1 4.5Å; L27-Y38 HydrophobicContact CD2-CD1 4.26Å; L27-Y38 HydrophobicContact CG-CD1 4.21Å; L28-Y38 HydrophobicContact CD2-CE1 4.26Å; R31-Y38 VanDerWaalsContact CD-CD1 3.47Å; R31-Y38 VanDerWaalsContact CD-CE2 3.46Å; R31-Y38 HydrophobicContact CG-CE1 4.46Å; R31-Y38 VanDerWaalsContact NE-CZ 3.29Å; R31-Y38 VanDerWaalsContact NH1-CD2 3.34Å; Y38-R42 VanDerWaalsContact O-CB 3.26Å; Y38-R42 WeakPolarHBondContact O-CB 3.25Å; Y38-R42 PolarHBondContact O-N 3.13Å
39	V	94.7	Very high	94.5	Very high	105 Å²	105	81.1 Å²	81.1	64%	0.636	37%	0.368	S	S	*	.	H	α-helix	trans	-64.8	-46.5	178.4	178.9	0	0	0	0	110.4	S37 R42 R43	S37-V39 PolarHBondContact O-N 2.88Å; V39-R42 PolarHBondContact O-N 3.32Å; V39-R43 WeakPolarHBondContact O-CB 3.25Å; V39-R43 PolarHBondContact O-N 3.49Å
40	N	94.8	Very high	94.5	Very high	45 Å²	45	78.1 Å²	78.1	24%	0.241	35%	0.354	C	S	.	.	H	α-helix	trans	-69.1	-41.7	-179.8	-67.7	-7	0	0	0	111.4	S37 R42 R43 A44 L59	S37-N40 PolarHBondContact O-N 3.33Å; S37-N40 VanDerWaalsContact O-N 3.08Å; S37-N40 WeakPolarHBondContact OG-CB 3.44Å; S37-N40 PolarHBondContact OG-N 3.5Å; S37-N40 VanDerWaalsContact OG-N 3.17Å; S37-N40 PolarHBondContact OG-ND2 3.48Å; N40-R42 PolarHBondContact O-N 3.21Å; N40-R43 PolarHBondContact O-N 3.34Å; N40-A44 WeakPolarHBondContact O-CB 3.49Å; N40-A44 PolarHBondContact O-N 3.1Å; N40-L59 HydrophobicContact CB-CD1 3.69Å
41	C	96.3	Very high	94.4	Very high	0 Å²	0	81.2 Å²	81.2	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-62.2	-42.1	175	-63.8	0	0	0	0	112.1	L27 L30 S37 A44 L45	L27-C41 HydrophobicContact CD1-CB 3.49Å; L27-C41 VanDerWaalsContact CD1-CB 3.49Å; L30-C41 HydrophobicContact CD2-CB 4.05Å; L30-C41 HydrophobicContact CG-CB 4.35Å; S37-C41 PolarHBondContact O-N 2.7Å; S37-C41 PolarHBondContact O-SG 3.14Å; S37-C41 VanDerWaalsContact O-SG 3.4Å; C41-A44 PolarHBondContact O-N 3.42Å; C41-L45 WeakPolarHBondContact O-CG 3.36Å; C41-L45 PolarHBondContact O-N 3.27Å
42	R	96.1	Very high	94.4	Very high	129 Å²	129	78.9 Å²	78.9	49%	0.487	36%	0.364	S	S	.	.	H	α-helix	trans	-64.8	-48.8	177.7	-175.6	-175.1	-59.2	163.1	1.9	111.1	L27 Y38 V39 N40 A44 L45 E46	L27-R42 HydrophobicContact CD1-CB 4.02Å; L27-R42 HydrophobicContact CD2-CB 4.33Å; Y38-R42 VanDerWaalsContact O-CB 3.26Å; Y38-R42 WeakPolarHBondContact O-CB 3.25Å; Y38-R42 PolarHBondContact O-N 3.13Å; V39-R42 PolarHBondContact O-N 3.32Å; N40-R42 PolarHBondContact O-N 3.21Å; R42-A44 PolarHBondContact O-N 3.35Å; R42-L45 PolarHBondContact O-N 3.29Å; R42-L45 VanDerWaalsContact O-N 3.16Å; R42-E46 WeakPolarHBondContact CD-OE1 3.45Å; R42-E46 HydrophobicContact CG-CG 4.26Å; R42-E46 VanDerWaalsContact CG-OE1 3.31Å; R42-E46 WeakPolarHBondContact CG-OE1 3.28Å; R42-E46 WeakPolarHBondContact O-CB 3.39Å; R42-E46 WeakPolarHBondContact O-CG 3.37Å; R42-E46 PolarHBondContact O-N 3.3Å
43	R	96.4	Very high	94.4	Very high	122 Å²	122	74.4 Å²	74.4	46%	0.46	36%	0.355	S	S	.	.	H	α-helix	trans	-57.6	-38.9	176.6	175.1	177.2	152.1	-154.7	-15.1	111.8	V39 N40 K47 W58	V39-R43 WeakPolarHBondContact O-CB 3.25Å; V39-R43 PolarHBondContact O-N 3.49Å; N40-R43 PolarHBondContact O-N 3.34Å; R43-K47 VanDerWaalsContact O-CB 3.26Å; R43-K47 WeakPolarHBondContact O-CB 3.41Å; R43-K47 PolarHBondContact O-N 2.97Å; R43-K47 VanDerWaalsContact O-N 3.15Å; R43-W58 HydrophobicContact CG-CH2 4.17Å; R43-W58 HydrophobicContact CG-CZ3 4.47Å
44	A	96.7	Very high	94.7	Very high	0 Å²	0	73.7 Å²	73.7	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-64.8	-49.2	175.7	0	0	0	0	0	111.4	N40 C41 R42 K47 F48 A55 W58 L59	N40-A44 WeakPolarHBondContact O-CB 3.49Å; N40-A44 PolarHBondContact O-N 3.1Å; C41-A44 PolarHBondContact O-N 3.42Å; R42-A44 PolarHBondContact O-N 3.35Å; A44-K47 PolarHBondContact O-N 3.29Å; A44-F48 VanDerWaalsContact O-CD2 3.3Å; A44-F48 WeakPolarHBondContact O-CD2 3.27Å; A44-F48 PolarHBondContact O-N 3.03Å; A44-A55 HydrophobicContact CB-CB 3.9Å; A44-W58 HydrophobicContact CB-CE3 3.63Å; A44-W58 HydrophobicContact CB-CZ3 3.77Å; A44-L59 HydrophobicContact CB-CB 4.28Å; A44-L59 HydrophobicContact CB-CD1 4.45Å
45	L	97.4	Very high	95	Very high	1 Å²	1	73.3 Å²	73.3	1%	0.005	35%	0.352	C	S	.	.	H	α-helix	trans	-62.7	-46.3	179.3	-73.4	167.9	0	0	0	112.3	L26 L27 L30 C41 R42 K47 F48 D49 Y50 V52 A55	L26-L45 HydrophobicContact CB-CD1 4.39Å; L27-L45 VanDerWaalsContact CA-CD1 3.46Å; L27-L45 HydrophobicContact CB-CD1 3.95Å; L27-L45 HydrophobicContact CD1-CD1 4.14Å; L30-L45 HydrophobicContact CB-CD1 4.41Å; L30-L45 HydrophobicContact CD2-CD1 4.06Å; L30-L45 HydrophobicContact CD2-CD2 4.05Å; L30-L45 HydrophobicContact CD2-CG 3.72Å; C41-L45 WeakPolarHBondContact O-CG 3.36Å; C41-L45 PolarHBondContact O-N 3.27Å; R42-L45 PolarHBondContact O-N 3.29Å; R42-L45 VanDerWaalsContact O-N 3.16Å; L45-K47 PolarHBondContact O-N 3.47Å; L45-F48 CarbonylContact O-C 3.53Å; L45-F48 PolarHBondContact O-N 3.37Å; L45-D49 PolarHBondContact O-N 3.24Å; L45-Y50 HydrophobicContact CB-CD1 3.87Å; L45-Y50 HydrophobicContact CB-CE1 4.12Å; L45-Y50 HydrophobicContact CB-CG 4.44Å; L45-Y50 WeakPolarHBondContact O-CA 2.78Å; L45-Y50 PolarHBondContact O-N 3.21Å; L45-V52 HydrophobicContact CD2-CG2 4.22Å; L45-A55 HydrophobicContact CD2-CB 3.9Å; L45-A55 HydrophobicContact CG-CB 4.27Å
46	E	96.3	Very high	95.3	Very high	106 Å²	106	68.2 Å²	68.2	50%	0.495	32%	0.323	S	S	.	.	H	α-helix	trans	-61	-32.6	177.9	-72.7	170.9	175	0	0	112.2	R42 Y50	R42-E46 WeakPolarHBondContact CD-OE1 3.45Å; R42-E46 HydrophobicContact CG-CG 4.26Å; R42-E46 VanDerWaalsContact CG-OE1 3.31Å; R42-E46 WeakPolarHBondContact CG-OE1 3.28Å; R42-E46 WeakPolarHBondContact O-CB 3.39Å; R42-E46 WeakPolarHBondContact O-CG 3.37Å; R42-E46 PolarHBondContact O-N 3.3Å; E46-Y50 HydrophobicContact CG-CE2 4.49Å
47	K	96.5	Very high	95.5	Very high	117 Å²	117	72.3 Å²	72.3	51%	0.509	34%	0.342	S	S	.	.	H	α-helix	trans	-71.6	-29.2	179.9	-179.8	169.7	-179.9	170.7	0	113.9	R43 A44 L45 W58	R43-K47 VanDerWaalsContact O-CB 3.26Å; R43-K47 WeakPolarHBondContact O-CB 3.41Å; R43-K47 PolarHBondContact O-N 2.97Å; R43-K47 VanDerWaalsContact O-N 3.15Å; A44-K47 PolarHBondContact O-N 3.29Å; L45-K47 PolarHBondContact O-N 3.47Å; K47-W58 HydrophobicContact CD-CD2 4.24Å; K47-W58 HydrophobicContact CD-CH2 4.47Å; K47-W58 HydrophobicContact CD-CZ2 3.92Å
48	F	96.5	Very high	95.7	Very high	52 Å²	52	71 Å²	71	23%	0.228	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	32.8	-177.3	-61.8	-76.8	0	0	0	111.9	A44 L45 Y50 N51 Q54 A55 W58	A44-F48 VanDerWaalsContact O-CD2 3.3Å; A44-F48 WeakPolarHBondContact O-CD2 3.27Å; A44-F48 PolarHBondContact O-N 3.03Å; L45-F48 CarbonylContact O-C 3.53Å; L45-F48 PolarHBondContact O-N 3.37Å; F48-Y50 PolarHBondContact O-N 2.91Å; F48-N51 HydrophobicContact CB-CB 4.28Å; F48-N51 WeakPolarHBondContact O-CB 3.28Å; F48-N51 PolarHBondContact O-N 3.48Å; F48-Q54 HydrophobicContact CB-CB 3.93Å; F48-Q54 HydrophobicContact CD1-CB 3.89Å; F48-Q54 HydrophobicContact CD2-CB 4.37Å; F48-Q54 HydrophobicContact CG-CB 3.79Å; F48-A55 HydrophobicContact CD2-CB 4.41Å; F48-W58 HydrophobicContact CD2-CB 4.27Å; F48-W58 HydrophobicContact CE2-CB 3.23Å; F48-W58 AromaticContact CE2-CD1 3.9Å; F48-W58 AromaticContact CE2-CD2 3.78Å; F48-W58 HydrophobicContact CE2-CD2 3.78Å; F48-W58 HydrophobicContact CE2-CE3 4.27Å; F48-W58 AromaticContact CE2-CG 3.31Å; F48-W58 HydrophobicContact CE2-CG 3.31Å; F48-W58 HydrophobicContact CZ-CB 3.55Å; F48-W58 AromaticContact CZ-CD1 3.69Å; F48-W58 HydrophobicContact CZ-CD2 4.34Å; F48-W58 AromaticContact CZ-CG 3.55Å; F48-W58 HydrophobicContact CZ-CG 3.55Å
49	D	94.8	Very high	95.7	Very high	149 Å²	149	66.1 Å²	66.1	80%	0.797	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	42.2	177.5	-61.2	-51	0	0	0	112.9	L45 N51	L45-D49 PolarHBondContact O-N 3.24Å; D49-N51 PolarHBondContact O-N 2.87Å
50	Y	94.9	Very high	95.6	Very high	70 Å²	70	63.3 Å²	63.3	28%	0.275	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.6	19.9	-179.2	-64	-97.1	0	0	0	115.6	N23 L26 L45 E46 F48 V52	N23-Y50 HydrophobicContact CB-CD1 3.94Å; N23-Y50 HydrophobicContact CB-CE1 3.4Å; N23-Y50 VanDerWaalsContact CB-CE1 3.4Å; N23-Y50 VanDerWaalsContact CG-CZ 3.49Å; N23-Y50 PolarHBondContact ND2-OH 3.39Å; L26-Y50 HydrophobicContact CD1-CD1 4.42Å; L45-Y50 HydrophobicContact CB-CD1 3.87Å; L45-Y50 HydrophobicContact CB-CE1 4.12Å; L45-Y50 HydrophobicContact CB-CG 4.44Å; L45-Y50 WeakPolarHBondContact O-CA 2.78Å; L45-Y50 PolarHBondContact O-N 3.21Å; E46-Y50 HydrophobicContact CG-CE2 4.49Å; F48-Y50 PolarHBondContact O-N 2.91Å; Y50-V52 PolarHBondContact O-N 3.49Å
51	N	94.7	Very high	95.5	Very high	65 Å²	65	65.3 Å²	65.3	35%	0.348	30%	0.3	S	S	.	.			trans	-70.8	109.5	166	-172.5	-49.9	0	0	0	110.5	F48 D49 D53 Q54 A55	F48-N51 HydrophobicContact CB-CB 4.28Å; F48-N51 WeakPolarHBondContact O-CB 3.28Å; F48-N51 PolarHBondContact O-N 3.48Å; D49-N51 PolarHBondContact O-N 2.87Å; N51-D53 PolarHBondContact O-N 2.76Å; N51-D53 PolarHBondContact OD1-N 2.95Å; N51-Q54 HydrophobicContact CB-CB 4.23Å; N51-Q54 HydrophobicContact CB-CG 4.47Å; N51-Q54 PolarHBondContact OD1-N 3.42Å; N51-Q54 VanDerWaalsContact OD1-N 3.09Å; N51-A55 WeakPolarHBondContact O-CB 3.46Å; N51-A55 PolarHBondContact O-N 2.91Å
52	V	94.4	Very high	95.4	Very high	21 Å²	21	66.1 Å²	66.1	13%	0.127	30%	0.304	C	S	.	.	H	α-helix	trans	-64.7	-41.6	-174	178.7	0	0	0	0	112.5	L26 L30 L45 Y50 A55 E56	L26-V52 HydrophobicContact CB-CG2 4.43Å; L26-V52 HydrophobicContact CD2-CG2 3.74Å; L26-V52 HydrophobicContact CG-CG2 4.5Å; L30-V52 HydrophobicContact CD1-CG1 4.28Å; L45-V52 HydrophobicContact CD2-CG2 4.22Å; Y50-V52 PolarHBondContact O-N 3.49Å; V52-A55 PolarHBondContact O-N 3.3Å; V52-E56 WeakPolarHBondContact O-CB 3.44Å; V52-E56 PolarHBondContact O-N 2.83Å
53	D	95	Very high	95.2	Very high	114 Å²	114	60.5 Å²	60.5	61%	0.61	29%	0.285	S	S	*	.	H	α-helix	trans	-71.2	-41.7	-174.3	-60.5	-37.9	0	0	0	111.1	N51 E56 K57	N51-D53 PolarHBondContact O-N 2.76Å; N51-D53 PolarHBondContact OD1-N 2.95Å; D53-E56 PolarHBondContact O-N 3.16Å; D53-K57 WeakPolarHBondContact O-CB 3.05Å; D53-K57 PolarHBondContact O-N 3.46Å
54	Q	97	Very high	95.1	Very high	102 Å²	102	57 Å²	57	48%	0.477	28%	0.275	S	S	.	.	H	α-helix	trans	-66.5	-40.9	173.8	-68.9	-175.2	-22.1	0	0	111.7	F48 N51 K57 W58	F48-Q54 HydrophobicContact CB-CB 3.93Å; F48-Q54 HydrophobicContact CD1-CB 3.89Å; F48-Q54 HydrophobicContact CD2-CB 4.37Å; F48-Q54 HydrophobicContact CG-CB 3.79Å; N51-Q54 HydrophobicContact CB-CB 4.23Å; N51-Q54 HydrophobicContact CB-CG 4.47Å; N51-Q54 PolarHBondContact OD1-N 3.42Å; N51-Q54 VanDerWaalsContact OD1-N 3.09Å; Q54-K57 PolarHBondContact O-N 3.12Å; Q54-W58 WeakPolarHBondContact O-CB 3.28Å; Q54-W58 PolarHBondContact O-N 3.49Å
55	A	97.1	Very high	95	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-61.6	-44.9	176.2	0	0	0	0	0	111.8	L30 A44 L45 F48 N51 V52 L59	L30-A55 HydrophobicContact CD2-CB 4.01Å; A44-A55 HydrophobicContact CB-CB 3.9Å; L45-A55 HydrophobicContact CD2-CB 3.9Å; L45-A55 HydrophobicContact CG-CB 4.27Å; F48-A55 HydrophobicContact CD2-CB 4.41Å; N51-A55 WeakPolarHBondContact O-CB 3.46Å; N51-A55 PolarHBondContact O-N 2.91Å; V52-A55 PolarHBondContact O-N 3.3Å; A55-L59 WeakPolarHBondContact O-CB 3.47Å; A55-L59 PolarHBondContact O-N 3.33Å
56	E	95.3	Very high	94.8	Very high	27 Å²	27	66.7 Å²	66.7	13%	0.126	32%	0.315	C	S	.	.	H	α-helix	trans	-62.4	-48.1	176.9	-180	171.9	-166.5	0	0	112	L30 K33 T34 V52 D53 W58 L59 N60	L30-E56 HydrophobicContact CD1-CB 3.81Å; L30-E56 HydrophobicContact CD1-CG 4.43Å; K33-E56 WeakPolarHBondContact CD-OE2 3.45Å; K33-E56 WeakPolarHBondContact CE-OE1 3.36Å; K33-E56 VanDerWaalsContact CE-OE2 3.23Å; K33-E56 WeakPolarHBondContact CE-OE2 3.32Å; K33-E56 IonicContact NZ-OE1 3.44Å; K33-E56 PolarHBondContact NZ-OE1 2.89Å; K33-E56 IonicContact NZ-OE2 2.65Å; K33-E56 PolarHBondContact NZ-OE2 2.93Å; T34-E56 HydrophobicContact CG2-CG 3.86Å; V52-E56 WeakPolarHBondContact O-CB 3.44Å; V52-E56 PolarHBondContact O-N 2.83Å; D53-E56 PolarHBondContact O-N 3.16Å; E56-W58 PolarHBondContact O-N 2.66Å; E56-L59 WeakPolarHBondContact O-CB 3.4Å; E56-L59 PolarHBondContact O-N 2.97Å; E56-N60 PolarHBondContact O-N 3.46Å; E56-N60 PolarHBondContact O-ND2 3.34Å
57	K	94.5	Very high	94.8	Very high	136 Å²	136	61.6 Å²	61.6	59%	0.591	29%	0.291	S	S	*	.	H	α-helix	trans	-58.2	-49.6	178.4	-174.6	178.3	179.3	-179.4	0	111.3	D53 Q54 L59 N60 E61	D53-K57 WeakPolarHBondContact O-CB 3.05Å; D53-K57 PolarHBondContact O-N 3.46Å; Q54-K57 PolarHBondContact O-N 3.12Å; K57-L59 VanDerWaalsContact C-N 3.3Å; K57-L59 PolarHBondContact O-N 2.81Å; K57-N60 PolarHBondContact O-N 3.37Å; K57-E61 VanDerWaalsContact CE-OE1 3.24Å; K57-E61 WeakPolarHBondContact CE-OE1 3.44Å; K57-E61 WeakPolarHBondContact O-CG 3.26Å; K57-E61 PolarHBondContact O-N 3.43Å
58	W	95.7	Very high	94.8	Very high	24 Å²	24	61.2 Å²	61.2	9%	0.091	29%	0.287	C	S	.	.	H	α-helix	trans	-63.8	-37.1	178.8	179.1	80.6	0	0	0	112.4	R43 A44 K47 F48 Q54 E56 E61 M62	R43-W58 HydrophobicContact CG-CH2 4.17Å; R43-W58 HydrophobicContact CG-CZ3 4.47Å; A44-W58 HydrophobicContact CB-CE3 3.63Å; A44-W58 HydrophobicContact CB-CZ3 3.77Å; K47-W58 HydrophobicContact CD-CD2 4.24Å; K47-W58 HydrophobicContact CD-CH2 4.47Å; K47-W58 HydrophobicContact CD-CZ2 3.92Å; F48-W58 HydrophobicContact CD2-CB 4.27Å; F48-W58 HydrophobicContact CE2-CB 3.23Å; F48-W58 AromaticContact CE2-CD1 3.9Å; F48-W58 AromaticContact CE2-CD2 3.78Å; F48-W58 HydrophobicContact CE2-CD2 3.78Å; F48-W58 HydrophobicContact CE2-CE3 4.27Å; F48-W58 AromaticContact CE2-CG 3.31Å; F48-W58 HydrophobicContact CE2-CG 3.31Å; F48-W58 HydrophobicContact CZ-CB 3.55Å; F48-W58 AromaticContact CZ-CD1 3.69Å; F48-W58 HydrophobicContact CZ-CD2 4.34Å; F48-W58 AromaticContact CZ-CG 3.55Å; F48-W58 HydrophobicContact CZ-CG 3.55Å; Q54-W58 WeakPolarHBondContact O-CB 3.28Å; Q54-W58 PolarHBondContact O-N 3.49Å; E56-W58 PolarHBondContact O-N 2.66Å; W58-E61 PolarHBondContact O-N 3.39Å; W58-M62 HydrophobicContact CD2-CG 3.78Å; W58-M62 HydrophobicContact CD2-SD 4.48Å; W58-M62 VanDerWaalsContact CE2-CG 3.44Å; W58-M62 HydrophobicContact CE3-CG 3.96Å; W58-M62 HydrophobicContact CG-CE 4.48Å; W58-M62 HydrophobicContact CH2-CG 3.54Å; W58-M62 HydrophobicContact CH2-SD 4.25Å; W58-M62 HydrophobicContact CZ2-CE 4.43Å; W58-M62 HydrophobicContact CZ2-CG 3.34Å; W58-M62 HydrophobicContact CZ2-SD 3.51Å; W58-M62 VanDerWaalsContact CZ2-SD 3.51Å; W58-M62 HydrophobicContact CZ3-CG 3.85Å; W58-M62 VanDerWaalsContact O-CG 3.3Å; W58-M62 WeakPolarHBondContact O-CG 3.38Å; W58-M62 PolarHBondContact O-N 3.43Å
59	L	94.4	Very high	94.9	Very high	4 Å²	4	64 Å²	64	2%	0.021	30%	0.3	C	S	.	.	H	α-helix	trans	-64.9	-41.9	178.3	-174.5	62.9	0	0	0	111.7	L30 Y36 N40 A44 A55 E56 K57 M62 A63	L30-L59 HydrophobicContact CD2-CD2 4.4Å; Y36-L59 HydrophobicContact CD2-CD1 4.21Å; Y36-L59 HydrophobicContact CD2-CD2 3.31Å; Y36-L59 HydrophobicContact CD2-CG 3.41Å; Y36-L59 VanDerWaalsContact CD2-CG 3.41Å; Y36-L59 HydrophobicContact CE2-CD2 4.1Å; Y36-L59 HydrophobicContact CE2-CG 3.83Å; Y36-L59 HydrophobicContact CG-CD1 4.37Å; Y36-L59 HydrophobicContact CG-CD2 3.99Å; Y36-L59 HydrophobicContact CG-CG 4.04Å; N40-L59 HydrophobicContact CB-CD1 3.69Å; A44-L59 HydrophobicContact CB-CB 4.28Å; A44-L59 HydrophobicContact CB-CD1 4.45Å; A55-L59 WeakPolarHBondContact O-CB 3.47Å; A55-L59 PolarHBondContact O-N 3.33Å; E56-L59 WeakPolarHBondContact O-CB 3.4Å; E56-L59 PolarHBondContact O-N 2.97Å; K57-L59 VanDerWaalsContact C-N 3.3Å; K57-L59 PolarHBondContact O-N 2.81Å; L59-M62 PolarHBondContact O-N 3.04Å; L59-A63 WeakPolarHBondContact O-CB 3.5Å; L59-A63 PolarHBondContact O-N 3.48Å
60	N	92.1	Very high	94.9	Very high	45 Å²	45	60.8 Å²	60.8	24%	0.241	28%	0.279	C	S	.	.	H	α-helix	trans	-62.8	-47.6	173.5	-68.9	-26.4	0	0	0	111.3	Y36 E56 K57 M62 A63 I64	Y36-N60 WeakPolarHBondContact CE2-OD1 3.37Å; Y36-N60 PolarHBondContact OH-OD1 3.11Å; E56-N60 PolarHBondContact O-N 3.46Å; E56-N60 PolarHBondContact O-ND2 3.34Å; K57-N60 PolarHBondContact O-N 3.37Å; N60-M62 VanDerWaalsContact C-N 3.28Å; N60-M62 PolarHBondContact O-N 3.44Å; N60-A63 PolarHBondContact O-N 2.88Å; N60-I64 WeakPolarHBondContact O-CG1 3.4Å; N60-I64 PolarHBondContact O-N 3.35Å
61	E	93.4	Very high	94.9	Very high	87 Å²	87	58.6 Å²	58.6	41%	0.407	28%	0.275	S	S	.	.	H	α-helix	trans	-60.6	-37.1	176.8	-71.2	171.9	-172.4	0	0	112.3	K57 W58 R65	K57-E61 VanDerWaalsContact CE-OE1 3.24Å; K57-E61 WeakPolarHBondContact CE-OE1 3.44Å; K57-E61 WeakPolarHBondContact O-CG 3.26Å; K57-E61 PolarHBondContact O-N 3.43Å; W58-E61 PolarHBondContact O-N 3.39Å; E61-R65 PolarHBondContact O-N 3.08Å
62	M	93.7	Very high	95.1	Very high	17 Å²	17	59.1 Å²	59.1	8%	0.084	29%	0.289	C	S	.	.	H	α-helix	trans	-66.4	-47.5	174.1	-72.9	-42.7	84.8	0	0	111	W58 L59 N60 I64 R65 E66	W58-M62 HydrophobicContact CD2-CG 3.78Å; W58-M62 HydrophobicContact CD2-SD 4.48Å; W58-M62 VanDerWaalsContact CE2-CG 3.44Å; W58-M62 HydrophobicContact CE3-CG 3.96Å; W58-M62 HydrophobicContact CG-CE 4.48Å; W58-M62 HydrophobicContact CH2-CG 3.54Å; W58-M62 HydrophobicContact CH2-SD 4.25Å; W58-M62 HydrophobicContact CZ2-CE 4.43Å; W58-M62 HydrophobicContact CZ2-CG 3.34Å; W58-M62 HydrophobicContact CZ2-SD 3.51Å; W58-M62 VanDerWaalsContact CZ2-SD 3.51Å; W58-M62 HydrophobicContact CZ3-CG 3.85Å; W58-M62 VanDerWaalsContact O-CG 3.3Å; W58-M62 WeakPolarHBondContact O-CG 3.38Å; W58-M62 PolarHBondContact O-N 3.43Å; L59-M62 PolarHBondContact O-N 3.04Å; N60-M62 VanDerWaalsContact C-N 3.28Å; N60-M62 PolarHBondContact O-N 3.44Å; M62-I64 VanDerWaalsContact C-N 3.31Å; M62-I64 PolarHBondContact O-N 3.18Å; M62-R65 VanDerWaalsContact CE-CZ 3.43Å; M62-R65 PolarHBondContact O-N 3.47Å; M62-R65 VanDerWaalsContact O-N 3.16Å; M62-R65 PolarHBondContact SD-NH1 2.86Å; M62-E66 WeakPolarHBondContact O-CB 3.24Å; M62-E66 WeakPolarHBondContact O-CG 3.29Å; M62-E66 PolarHBondContact O-N 3.18Å
63	A	93.3	Very high	95.2	Very high	12 Å²	12	65.9 Å²	65.9	10%	0.099	32%	0.317	C	S	.	.	H	α-helix	trans	-60.4	-42.6	-177.6	0	0	0	0	0	111.5	Y36 L59 N60 E66 G67 L168	Y36-A63 HydrophobicContact CE1-CB 3.61Å; Y36-A63 WeakPolarHBondContact OH-CB 3.43Å; L59-A63 WeakPolarHBondContact O-CB 3.5Å; L59-A63 PolarHBondContact O-N 3.48Å; N60-A63 PolarHBondContact O-N 2.88Å; A63-E66 PolarHBondContact O-N 3.4Å; A63-G67 PolarHBondContact O-N 2.64Å; A63-L168 VanDerWaalsContact C-CD2 3.45Å; A63-L168 HydrophobicContact CB-CD2 3.69Å; A63-L168 WeakPolarHBondContact O-CD2 3.3Å
64	I	92.9	Very high	95.3	Very high	47 Å²	47	61 Å²	61	24%	0.241	29%	0.291	C	S	.	.	H	α-helix	trans	-59.7	-50.2	175.3	-69.1	167.1	0	0	0	109.7	N60 M62 E66 G67 W68 D164 L168	N60-I64 WeakPolarHBondContact O-CG1 3.4Å; N60-I64 PolarHBondContact O-N 3.35Å; M62-I64 VanDerWaalsContact C-N 3.31Å; M62-I64 PolarHBondContact O-N 3.18Å; I64-E66 PolarHBondContact O-N 2.77Å; I64-G67 WeakPolarHBondContact O-CA 3.33Å; I64-G67 PolarHBondContact O-N 3.14Å; I64-G67 VanDerWaalsContact O-N 3.15Å; I64-W68 PolarHBondContact O-N 3.23Å; I64-D164 HydrophobicContact CG2-CB 4.47Å; I64-D164 VanDerWaalsContact CG2-OD1 3.29Å; I64-D164 WeakPolarHBondContact CG2-OD1 3.45Å; I64-L168 HydrophobicContact CG1-CD1 4.01Å; I64-L168 HydrophobicContact CG1-CD2 4.18Å; I64-L168 HydrophobicContact CG1-CG 4.21Å
65	R	95.3	Very high	95.1	Very high	122 Å²	122	58.8 Å²	58.8	46%	0.46	29%	0.29	S	S	.	.	H	α-helix	trans	-61.8	-44.2	-179.2	-164.9	-176.2	-51.8	114.6	9.5	112.7	E61 M62 G67 W68 Q69	E61-R65 PolarHBondContact O-N 3.08Å; M62-R65 VanDerWaalsContact CE-CZ 3.43Å; M62-R65 PolarHBondContact O-N 3.47Å; M62-R65 VanDerWaalsContact O-N 3.16Å; M62-R65 PolarHBondContact SD-NH1 2.86Å; R65-G67 VanDerWaalsContact C-N 3.29Å; R65-W68 PolarHBondContact O-N 3.39Å; R65-Q69 WeakPolarHBondContact O-CG 3.39Å; R65-Q69 PolarHBondContact O-N 2.99Å
66	E	94	Very high	95	Very high	83 Å²	83	64.5 Å²	64.5	39%	0.388	33%	0.33	S	S	.	.	H	α-helix	trans	-64.3	-37.3	176.2	-72.3	179.6	179.2	0	0	111.2	M62 A63 I64 Q69 K70	M62-E66 WeakPolarHBondContact O-CB 3.24Å; M62-E66 WeakPolarHBondContact O-CG 3.29Å; M62-E66 PolarHBondContact O-N 3.18Å; A63-E66 PolarHBondContact O-N 3.4Å; I64-E66 PolarHBondContact O-N 2.77Å; E66-Q69 PolarHBondContact O-N 3.27Å; E66-K70 WeakPolarHBondContact O-CB 3.25Å; E66-K70 PolarHBondContact O-N 3.47Å
67	G	95.7	Very high	95.1	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-59.3	-50.9	173.2	0	0	0	0	0	112.3	A63 I64 R65 Q69 K70 A71 A167	A63-G67 PolarHBondContact O-N 2.64Å; I64-G67 WeakPolarHBondContact O-CA 3.33Å; I64-G67 PolarHBondContact O-N 3.14Å; I64-G67 VanDerWaalsContact O-N 3.15Å; R65-G67 VanDerWaalsContact C-N 3.29Å; G67-Q69 VanDerWaalsContact C-N 3.34Å; G67-Q69 PolarHBondContact O-N 3.24Å; G67-K70 PolarHBondContact O-N 2.93Å; G67-K70 VanDerWaalsContact O-N 3.14Å; G67-A71 WeakPolarHBondContact O-CB 3.08Å; G67-A71 PolarHBondContact O-N 3.36Å; G67-A167 VanDerWaalsContact CA-O 3.31Å; G67-A167 WeakPolarHBondContact CA-O 3.29Å
68	W	96.8	Very high	95.1	Very high	109 Å²	109	71.4 Å²	71.4	41%	0.413	35%	0.351	S	S	.	.	H	α-helix	trans	-61.7	-40.1	176.7	-81.5	103.4	0	0	0	113	I64 R65 K70 A71 A72 D163 D164 A167	I64-W68 PolarHBondContact O-N 3.23Å; R65-W68 PolarHBondContact O-N 3.39Å; W68-K70 VanDerWaalsContact C-N 3.32Å; W68-K70 PolarHBondContact O-N 2.98Å; W68-A71 PolarHBondContact O-N 2.88Å; W68-A72 WeakPolarHBondContact O-CB 3.25Å; W68-A72 PolarHBondContact O-N 3.49Å; W68-D163 HydrophobicContact CH2-CB 3.73Å; W68-D163 HydrophobicContact CZ2-CB 3.62Å; W68-D164 PolarHBondContact NE1-OD1 3.41Å; W68-A167 HydrophobicContact CD2-CB 3.95Å; W68-A167 HydrophobicContact CG-CB 3.98Å
69	Q	97.2	Very high	95.2	Very high	110 Å²	110	71 Å²	71	51%	0.514	35%	0.352	S	S	.	.	H	α-helix	trans	-62.8	-40.3	174.7	-73.8	179.1	-0.5	0	0	112	R65 E66 G67 K73	R65-Q69 WeakPolarHBondContact O-CG 3.39Å; R65-Q69 PolarHBondContact O-N 2.99Å; E66-Q69 PolarHBondContact O-N 3.27Å; G67-Q69 VanDerWaalsContact C-N 3.34Å; G67-Q69 PolarHBondContact O-N 3.24Å; Q69-K73 WeakPolarHBondContact O-CG 3.45Å; Q69-K73 PolarHBondContact O-N 3.45Å
70	K	95.2	Very high	95.3	Very high	82 Å²	82	71.9 Å²	71.9	36%	0.357	36%	0.359	S	S	.	.	H	α-helix	trans	-71.9	-41.8	178.6	-165.8	150.5	169	-158.6	0	111	E66 G67 W68 A72 K73 L74 A171	E66-K70 WeakPolarHBondContact O-CB 3.25Å; E66-K70 PolarHBondContact O-N 3.47Å; G67-K70 PolarHBondContact O-N 2.93Å; G67-K70 VanDerWaalsContact O-N 3.14Å; W68-K70 VanDerWaalsContact C-N 3.32Å; W68-K70 PolarHBondContact O-N 2.98Å; K70-A72 PolarHBondContact O-N 3.03Å; K70-K73 PolarHBondContact O-N 3.27Å; K70-L74 HydrophobicContact CG-CD1 3.87Å; K70-L74 HydrophobicContact CG-CG 4.45Å; K70-L74 WeakPolarHBondContact O-CB 3.25Å; K70-L74 VanDerWaalsContact O-CG 3.24Å; K70-L74 WeakPolarHBondContact O-CG 3.32Å; K70-L74 PolarHBondContact O-N 2.99Å; K70-A171 PolarHBondContact NZ-O 3.24Å
71	A	96.2	Very high	95.5	Very high	23 Å²	23	73 Å²	73	19%	0.19	36%	0.363	C	S	.	.	H	α-helix	trans	-57.5	-46.4	173.1	0	0	0	0	0	111.9	G67 W68 K73 L74 A75 T170	G67-A71 WeakPolarHBondContact O-CB 3.08Å; G67-A71 PolarHBondContact O-N 3.36Å; W68-A71 PolarHBondContact O-N 2.88Å; A71-K73 VanDerWaalsContact C-N 3.33Å; A71-K73 PolarHBondContact O-N 3.14Å; A71-L74 CarbonylContact O-C 3.6Å; A71-L74 PolarHBondContact O-N 3.08Å; A71-L74 VanDerWaalsContact O-N 3.14Å; A71-A75 WeakPolarHBondContact O-CB 3.42Å; A71-A75 PolarHBondContact O-N 2.93Å; A71-T170 HydrophobicContact CB-CG2 4.05Å
72	A	97.1	Very high	95.8	Very high	76 Å²	76	68.9 Å²	68.9	63%	0.628	34%	0.343	S	S	*	.	H	α-helix	trans	-60.2	-40.4	176.1	0	0	0	0	0	112.7	W68 K70 L74	W68-A72 WeakPolarHBondContact O-CB 3.25Å; W68-A72 PolarHBondContact O-N 3.49Å; K70-A72 PolarHBondContact O-N 3.03Å; A72-L74 VanDerWaalsContact C-N 3.3Å; A72-L74 PolarHBondContact O-N 2.77Å
73	K	97.2	Very high	96	Very high	164 Å²	164	68.7 Å²	68.7	71%	0.713	34%	0.342	S	S	*	.	H	α-helix	trans	-68.1	-28.5	176.8	-73.5	175.4	-177.2	179.5	0	113.5	Q69 K70 A71	Q69-K73 WeakPolarHBondContact O-CG 3.45Å; Q69-K73 PolarHBondContact O-N 3.45Å; K70-K73 PolarHBondContact O-N 3.27Å; A71-K73 VanDerWaalsContact C-N 3.33Å; A71-K73 PolarHBondContact O-N 3.14Å
74	L	96.5	Very high	96.2	Very high	12 Å²	12	68.1 Å²	68.1	6%	0.063	34%	0.338	C	S	.	.	H	α-helix	trans	-98.8	-7.8	-176.8	-59.1	176.8	0	0	0	112.7	K70 A71 A72 S76 R77 T170 K176	K70-L74 HydrophobicContact CG-CD1 3.87Å; K70-L74 HydrophobicContact CG-CG 4.45Å; K70-L74 WeakPolarHBondContact O-CB 3.25Å; K70-L74 VanDerWaalsContact O-CG 3.24Å; K70-L74 WeakPolarHBondContact O-CG 3.32Å; K70-L74 PolarHBondContact O-N 2.99Å; A71-L74 CarbonylContact O-C 3.6Å; A71-L74 PolarHBondContact O-N 3.08Å; A71-L74 VanDerWaalsContact O-N 3.14Å; A72-L74 VanDerWaalsContact C-N 3.3Å; A72-L74 PolarHBondContact O-N 2.77Å; L74-S76 VanDerWaalsContact C-N 3.26Å; L74-S76 PolarHBondContact O-N 3.08Å; L74-S76 VanDerWaalsContact O-N 3.12Å; L74-R77 VanDerWaalsContact CD2-NE 3.31Å; L74-R77 VanDerWaalsContact O-CB 3.29Å; L74-R77 WeakPolarHBondContact O-CB 3.41Å; L74-R77 WeakPolarHBondContact O-CG 3.4Å; L74-R77 PolarHBondContact O-N 3.46Å; L74-T170 HydrophobicContact CD1-CG2 3.85Å; L74-K176 HydrophobicContact CB-CB 4.22Å
75	A	94.1	Very high	96.5	Very high	55 Å²	55	65.9 Å²	65.9	46%	0.455	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-34.1	-170.9	0	0	0	0	0	114.4	A71 R77 K176	A71-A75 WeakPolarHBondContact O-CB 3.42Å; A71-A75 PolarHBondContact O-N 2.93Å; A75-R77 VanDerWaalsContact C-N 3.29Å; A75-R77 PolarHBondContact O-N 3.23Å; A75-K176 WeakPolarHBondContact O-CE 3.44Å; A75-K176 PolarHBondContact O-NZ 3.49Å
76	S	95	Very high	96.6	Very high	120 Å²	120	60.4 Å²	60.4	84%	0.839	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-10.3	179.3	59.2	0	0	0	0	114.2	L74	L74-S76 VanDerWaalsContact C-N 3.26Å; L74-S76 PolarHBondContact O-N 3.08Å; L74-S76 VanDerWaalsContact O-N 3.12Å
77	R	96.6	Very high	96.8	Very high	118 Å²	118	56.8 Å²	56.8	45%	0.445	29%	0.29	S	S	.	.	S	Bend	trans	-71.4	150.5	179.8	-62.8	-175.7	175.2	-168.2	3.1	111.1	L74 A75 E101 K176	L74-R77 VanDerWaalsContact CD2-NE 3.31Å; L74-R77 VanDerWaalsContact O-CB 3.29Å; L74-R77 WeakPolarHBondContact O-CB 3.41Å; L74-R77 WeakPolarHBondContact O-CG 3.4Å; L74-R77 PolarHBondContact O-N 3.46Å; A75-R77 VanDerWaalsContact C-N 3.29Å; A75-R77 PolarHBondContact O-N 3.23Å; R77-E101 WeakPolarHBondContact CD-OE1 3.41Å; R77-E101 WeakPolarHBondContact CD-OE2 3.38Å; R77-E101 IonicContact NH1-OE1 3.35Å; R77-E101 IonicContact NH1-OE2 3.26Å; R77-E101 PolarHBondContact NH1-OE2 3.31Å; R77-K176 HydrophobicContact CB-CD 4.45Å; R77-K176 WeakPolarHBondContact O-CD 3.43Å; R77-K176 PolarHBondContact O-NZ 3.06Å
78	R	95.6	Very high	96.8	Very high	190 Å²	190	59.3 Å²	59.3	72%	0.717	30%	0.303	S	S	*	.			trans	-77.5	129.3	173.5	-176.1	175.6	178.3	169	0.3	109.3	D330	R78-D330 IonicContact NH2-OD2 2.65Å; R78-D330 PolarHBondContact NH2-OD2 2.96Å
79	A	96.4	Very high	96.6	Very high	15 Å²	15	59.2 Å²	59.2	12%	0.124	31%	0.307	C	S	.	.			trans	-122.9	89.9	173.6	0	0	0	0	0	108.1	N99 C100 K176	A79-N99 HydrophobicContact CB-CB 4.03Å; A79-N99 VanDerWaalsContact O-CB 3.27Å; A79-N99 WeakPolarHBondContact O-CB 3.38Å; A79-N99 PolarHBondContact O-ND2 3.18Å; A79-C100 CarbonylContact C-O 3.54Å; A79-C100 VanDerWaalsContact CA-O 3.25Å; A79-C100 WeakPolarHBondContact CA-O 3.15Å; A79-C100 WeakPolarHBondContact CB-O 3.5Å; A79-K176 HydrophobicContact CB-CD 4.04Å; A79-K176 HydrophobicContact CB-CG 4.22Å
80	S	96.3	Very high	96	Very high	23 Å²	23	60.3 Å²	60.3	16%	0.161	32%	0.317	C	S	.	.			trans	-105.4	-10	179.6	45.6	0	0	0	0	113.3	C100 D330	S80-C100 PolarHBondContact N-O 2.73Å; S80-D330 WeakPolarHBondContact CB-OD1 3.41Å; S80-D330 WeakPolarHBondContact CB-OD2 3.36Å; S80-D330 WeakPolarHBondContact O-CB 3.31Å
81	Q	97.9	Very high	95.7	Very high	69 Å²	69	57.5 Å²	57.5	32%	0.322	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	173.2	170.5	-60.6	-58.1	-49.2	0	0	109.4	N99 C100 E101 T102 D103	Q81-N99 CarbonylContact O-C 3.48Å; Q81-N99 WeakPolarHBondContact O-CA 3.38Å; Q81-N99 WeakPolarHBondContact O-CB 3.41Å; Q81-N99 PolarHBondContact O-ND2 3.25Å; Q81-C100 CarbonylContact C-O 3.56Å; Q81-C100 PolarHBondContact N-O 3.42Å; Q81-C100 VanDerWaalsContact N-O 3.09Å; Q81-C100 PolarHBondContact O-N 3.19Å; Q81-C100 VanDerWaalsContact O-O 3.12Å; Q81-E101 WeakPolarHBondContact CG-O 3.47Å; Q81-T102 VanDerWaalsContact CB-C 3.49Å; Q81-D103 HydrophobicContact CG-CB 4.45Å
82	G	98	Very high	95.6	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	141.5	-155.5	179.1	0	0	0	0	0	113.3	V98 L329	G82-V98 VanDerWaalsContact CA-O 3.26Å; G82-V98 WeakPolarHBondContact CA-O 3.44Å; G82-L329 WeakPolarHBondContact O-CD2 3.5Å
83	L	98.4	Very high	95.6	Very high	12 Å²	12	52.8 Å²	52.8	6%	0.063	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	147.4	179.6	-64.6	172.9	0	0	0	111.4	V98 A106 F111 C112 V115 V209 G210	L83-V98 PolarHBondContact N-O 3.08Å; L83-V98 PolarHBondContact O-N 2.9Å; L83-A106 WeakPolarHBondContact CD1-O 3.22Å; L83-A106 HydrophobicContact CG-CB 4.48Å; L83-F111 HydrophobicContact CB-CE1 4.22Å; L83-F111 HydrophobicContact CD1-CD1 3.83Å; L83-F111 HydrophobicContact CD1-CE1 4.2Å; L83-F111 HydrophobicContact CG-CD1 4.15Å; L83-F111 HydrophobicContact CG-CE1 4.07Å; L83-C112 HydrophobicContact CD1-CB 4.49Å; L83-V115 HydrophobicContact CB-CG1 4.4Å; L83-V115 HydrophobicContact CB-CG2 4.11Å; L83-V115 HydrophobicContact CD1-CG2 4.39Å; L83-V209 HydrophobicContact CB-CB 4.39Å; L83-V209 HydrophobicContact CD1-CB 3.99Å; L83-V209 HydrophobicContact CD1-CG2 3.91Å; L83-G210 CarbonylContact C-O 3.6Å; L83-G210 WeakPolarHBondContact CA-O 3.39Å
84	I	98.6	Very high	95.6	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	134	159.1	-53.4	-53.8	0	0	0	108.2	L95 V96 E97 V209 G210 H211 F327	I84-L95 HydrophobicContact CG2-CD1 3.46Å; I84-L95 VanDerWaalsContact CG2-CD1 3.46Å; I84-L95 HydrophobicContact CG2-CG 4.09Å; I84-V96 CarbonylContact C-O 3.59Å; I84-V96 VanDerWaalsContact CA-O 3.23Å; I84-V96 WeakPolarHBondContact CA-O 3.22Å; I84-E97 HydrophobicContact CD1-CB 3.59Å; I84-E97 HydrophobicContact CD1-CG 3.58Å; I84-V209 CarbonylContact O-C 3.46Å; I84-V209 WeakPolarHBondContact O-CA 3.45Å; I84-G210 PolarHBondContact N-O 3.19Å; I84-G210 PolarHBondContact O-N 2.87Å; I84-H211 WeakPolarHBondContact CG1-O 3.42Å; I84-F327 HydrophobicContact CD1-CB 3.65Å; I84-F327 HydrophobicContact CD1-CD2 4.2Å; I84-F327 HydrophobicContact CD1-CG 4.43Å; I84-F327 HydrophobicContact CG1-CB 4.12Å; I84-F327 HydrophobicContact CG2-CB 4.12Å; I84-F327 HydrophobicContact CG2-CD2 4.44Å
85	G	98.4	Very high	95.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	141.8	175.5	0	0	0	0	0	112.6	L95 V96	G85-L95 WeakPolarHBondContact O-CA 3.38Å; G85-V96 PolarHBondContact N-O 3.16Å; G85-V96 PolarHBondContact O-N 3.09Å
86	I	98.4	Very high	95.9	Very high	7 Å²	7	41.8 Å²	41.8	4%	0.036	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	138.5	174.8	-67.3	179.5	0	0	0	110.1	L88 A94 L95 Y196 V197 M208 A214 I215	I86-L88 HydrophobicContact CG2-CD1 4.25Å; I86-L88 HydrophobicContact CG2-CD2 3.85Å; I86-L88 HydrophobicContact CG2-CG 3.69Å; I86-A94 WeakPolarHBondContact CA-O 3.38Å; I86-L95 HydrophobicContact CD1-CD1 3.88Å; I86-L95 HydrophobicContact CG1-CD1 3.35Å; I86-Y196 VanDerWaalsContact CD1-O 3.3Å; I86-Y196 WeakPolarHBondContact CD1-O 3.48Å; I86-V197 HydrophobicContact CB-CG1 4.48Å; I86-V197 HydrophobicContact CD1-CG1 3.65Å; I86-V197 HydrophobicContact CG1-CG1 3.94Å; I86-M208 HydrophobicContact CB-CB 3.98Å; I86-M208 HydrophobicContact CB-CE 4.36Å; I86-M208 HydrophobicContact CD1-CE 4.49Å; I86-M208 HydrophobicContact CG2-CE 4.02Å; I86-M208 HydrophobicContact CG2-SD 4.18Å; I86-M208 PolarHBondContact N-O 2.83Å; I86-A214 VanDerWaalsContact CD1-O 3.28Å; I86-A214 WeakPolarHBondContact CD1-O 3.29Å; I86-I215 HydrophobicContact CD1-CG1 4.05Å; I86-I215 HydrophobicContact CG1-CD1 4.41Å; I86-I215 HydrophobicContact CG1-CG1 4.2Å; I86-I215 HydrophobicContact CG2-CD1 4.06Å; I86-I215 HydrophobicContact CG2-CG1 4.13Å
87	S	97.4	Very high	96	Very high	8 Å²	8	36 Å²	36	6%	0.056	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	115.1	169.6	-170.5	0	0	0	0	109.5	G93 A94 R120 R123	S87-G93 CarbonylContact O-C 3.6Å; S87-G93 VanDerWaalsContact O-CA 3.3Å; S87-G93 WeakPolarHBondContact O-CA 3.32Å; S87-A94 PolarHBondContact N-O 2.59Å; S87-A94 PolarHBondContact O-N 2.87Å; S87-R120 WeakPolarHBondContact OG-CA 3.5Å; S87-R120 WeakPolarHBondContact OG-CG 3.39Å; S87-R123 PolarHBondContact OG-NH1 2.8Å
88	L	95.4	Very high	96.1	Very high	53 Å²	53	30.4 Å²	30.4	28%	0.277	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	128.2	179.5	-54.2	178.6	0	0	0	109.9	I86 A92 R123 I215	I86-L88 HydrophobicContact CG2-CD1 4.25Å; I86-L88 HydrophobicContact CG2-CD2 3.85Å; I86-L88 HydrophobicContact CG2-CG 3.69Å; L88-A92 WeakPolarHBondContact CA-O 3.23Å; L88-R123 PolarHBondContact O-NH1 2.8Å; L88-I215 HydrophobicContact CD2-CD1 3.85Å; L88-I215 HydrophobicContact CD2-CG1 4.15Å; L88-I215 HydrophobicContact CD2-CG2 3.92Å
89	E	92	Very high	96.3	Very high	106 Å²	106	21.4 Å²	21.4	50%	0.495	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	144	173.4	-168	165.1	-172.5	0	0	109.6	G91 A92 R123	E89-G91 PolarHBondContact O-N 3.13Å; E89-A92 PolarHBondContact N-O 2.95Å; E89-A92 WeakPolarHBondContact O-CA 3.18Å; E89-A92 PolarHBondContact O-N 2.76Å; E89-R123 IonicContact OE2-CZ 2.62Å; E89-R123 VanDerWaalsContact OE2-CZ 3.26Å; E89-R123 IonicContact OE2-NH1 2.98Å; E89-R123 IonicContact OE2-NH2 3.5Å; E89-R123 PolarHBondContact OE2-NH2 2.82Å
90	D	84.4	Confident	96.3	Very high	133 Å²	133	20.7 Å²	20.7	71%	0.711	11%	0.112	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.5	47.9	171.2	-58.3	-25.9	0	0	0	115.6	A92	D90-A92 PolarHBondContact O-N 3.15Å
91	G	89.6	Confident	96.4	Very high	23 Å²	23	21.7 Å²	21.7	24%	0.237	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	13.8	179.9	0	0	0	0	0	114	E89 L186 T187 L193	E89-G91 PolarHBondContact O-N 3.13Å; G91-L186 CarbonylContact O-C 3.54Å; G91-T187 PolarHBondContact O-N 3.35Å; G91-T187 PolarHBondContact O-OG1 3.28Å; G91-L193 WeakPolarHBondContact O-CD1 3.26Å
92	A	94	Very high	96.4	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	130.8	175.9	0	0	0	0	0	111.4	L88 E89 D90 R123 I127 L185 L186 L193	L88-A92 WeakPolarHBondContact CA-O 3.23Å; E89-A92 PolarHBondContact N-O 2.95Å; E89-A92 WeakPolarHBondContact O-CA 3.18Å; E89-A92 PolarHBondContact O-N 2.76Å; D90-A92 PolarHBondContact O-N 3.15Å; A92-R123 HydrophobicContact CB-CG 3.81Å; A92-R123 WeakPolarHBondContact O-CD 3.49Å; A92-I127 HydrophobicContact CB-CD1 3.49Å; A92-I127 VanDerWaalsContact CB-CD1 3.49Å; A92-I127 HydrophobicContact CB-CG1 3.57Å; A92-L185 WeakPolarHBondContact CA-O 3.38Å; A92-L186 HydrophobicContact CB-CD2 3.59Å; A92-L193 VanDerWaalsContact C-CD1 3.41Å
93	G	96.3	Very high	96.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	135.2	173.7	0	0	0	0	0	110.5	S87 C184 L185	S87-G93 CarbonylContact O-C 3.6Å; S87-G93 VanDerWaalsContact O-CA 3.3Å; S87-G93 WeakPolarHBondContact O-CA 3.32Å; G93-C184 CarbonylContact O-C 3.5Å; G93-C184 WeakPolarHBondContact O-CA 3.42Å; G93-L185 PolarHBondContact N-O 3.13Å; G93-L185 PolarHBondContact O-N 2.93Å
94	A	97.6	Very high	96.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	131.9	167	0	0	0	0	0	110.2	I86 S87 A119 C122 R123	I86-A94 WeakPolarHBondContact CA-O 3.38Å; S87-A94 PolarHBondContact N-O 2.59Å; S87-A94 PolarHBondContact O-N 2.87Å; A94-A119 WeakPolarHBondContact CB-O 3.46Å; A94-C122 HydrophobicContact CB-CB 4.42Å; A94-R123 HydrophobicContact CB-CB 3.69Å; A94-R123 HydrophobicContact CB-CG 4.47Å
95	L	98.5	Very high	96.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	121.1	170	-170	69.7	0	0	0	107.8	I84 G85 I86 C182 T183 I215 V325 F327	I84-L95 HydrophobicContact CG2-CD1 3.46Å; I84-L95 VanDerWaalsContact CG2-CD1 3.46Å; I84-L95 HydrophobicContact CG2-CG 4.09Å; G85-L95 WeakPolarHBondContact O-CA 3.38Å; I86-L95 HydrophobicContact CD1-CD1 3.88Å; I86-L95 HydrophobicContact CG1-CD1 3.35Å; L95-C182 WeakPolarHBondContact O-CA 3.23Å; L95-T183 PolarHBondContact N-O 2.75Å; L95-T183 PolarHBondContact O-N 3.21Å; L95-I215 HydrophobicContact CB-CD1 3.81Å; L95-I215 HydrophobicContact CB-CG1 4.35Å; L95-I215 HydrophobicContact CD1-CG1 4.4Å; L95-V325 HydrophobicContact CD2-CB 4.21Å; L95-V325 HydrophobicContact CD2-CG1 3.67Å; L95-F327 HydrophobicContact CB-CD2 4.39Å; L95-F327 HydrophobicContact CB-CE2 4.26Å; L95-F327 HydrophobicContact CD2-CB 3.85Å; L95-F327 HydrophobicContact CD2-CD1 3.81Å; L95-F327 HydrophobicContact CD2-CD2 3.63Å; L95-F327 HydrophobicContact CD2-CE1 4.25Å; L95-F327 HydrophobicContact CD2-CE2 4.1Å; L95-F327 HydrophobicContact CD2-CG 3.46Å; L95-F327 VanDerWaalsContact CD2-CG 3.46Å; L95-F327 HydrophobicContact CD2-CZ 4.39Å; L95-F327 HydrophobicContact CG-CB 4.36Å; L95-F327 HydrophobicContact CG-CD2 3.53Å; L95-F327 HydrophobicContact CG-CE2 3.89Å; L95-F327 HydrophobicContact CG-CG 3.91Å; L95-F327 VanDerWaalsContact O-CE2 3.29Å; L95-F327 WeakPolarHBondContact O-CE2 3.48Å
96	V	98.4	Very high	96.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	146.4	-178	-59.1	0	0	0	0	111.1	I84 G85 V98 V115 A119 C122 L179 R181 C182	I84-V96 CarbonylContact C-O 3.59Å; I84-V96 VanDerWaalsContact CA-O 3.23Å; I84-V96 WeakPolarHBondContact CA-O 3.22Å; G85-V96 PolarHBondContact N-O 3.16Å; G85-V96 PolarHBondContact O-N 3.09Å; V96-V98 HydrophobicContact CG2-CG2 4.24Å; V96-V115 HydrophobicContact CG2-CG1 4.16Å; V96-A119 HydrophobicContact CG1-CB 4.3Å; V96-A119 HydrophobicContact CG2-CB 3.67Å; V96-C122 HydrophobicContact CG1-CB 4.19Å; V96-L179 HydrophobicContact CB-CD1 3.98Å; V96-L179 HydrophobicContact CG1-CD1 4.34Å; V96-R181 WeakPolarHBondContact CA-O 3.5Å; V96-C182 HydrophobicContact CG1-CB 4.02Å
97	E	98.4	Very high	96	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	118.4	165.7	-175.5	-179.4	165.3	0	0	108.7	I84 N99 K180 R181 F327 L329 D330	I84-E97 HydrophobicContact CD1-CB 3.59Å; I84-E97 HydrophobicContact CD1-CG 3.58Å; E97-N99 WeakPolarHBondContact CG-OD1 3.27Å; E97-N99 PolarHBondContact OE1-ND2 2.85Å; E97-N99 PolarHBondContact OE1-OD1 3.49Å; E97-K180 HydrophobicContact CB-CB 4.47Å; E97-K180 HydrophobicContact CG-CB 4.41Å; E97-K180 HydrophobicContact CG-CD 4.44Å; E97-K180 PolarHBondContact O-N 2.71Å; E97-K180 WeakPolarHBondContact OE1-CD 3.49Å; E97-K180 IonicContact OE1-NZ 3.19Å; E97-K180 PolarHBondContact OE1-NZ 3.12Å; E97-K180 IonicContact OE2-NZ 3.58Å; E97-R181 HydrophobicContact CB-CG 3.65Å; E97-R181 PolarHBondContact N-O 3.28Å; E97-R181 IonicContact OE2-CZ 3.85Å; E97-R181 IonicContact OE2-NE 3.72Å; E97-R181 PolarHBondContact OE2-NE 2.93Å; E97-R181 IonicContact OE2-NH2 2.76Å; E97-R181 PolarHBondContact OE2-NH2 2.9Å; E97-F327 HydrophobicContact CB-CD2 4.33Å; E97-L329 HydrophobicContact CG-CD1 4.13Å; E97-D330 PolarHBondContact OE1-N 3.5Å
98	V	98.5	Very high	95.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	117.6	176.1	-176.9	0	0	0	0	108.1	G82 L83 V96 F111 V115 I118 V177 C178 L179	G82-V98 VanDerWaalsContact CA-O 3.26Å; G82-V98 WeakPolarHBondContact CA-O 3.44Å; L83-V98 PolarHBondContact N-O 3.08Å; L83-V98 PolarHBondContact O-N 2.9Å; V96-V98 HydrophobicContact CG2-CG2 4.24Å; V98-F111 HydrophobicContact CB-CZ 4.43Å; V98-F111 HydrophobicContact CG1-CE2 4.36Å; V98-F111 HydrophobicContact CG1-CZ 3.91Å; V98-V115 HydrophobicContact CB-CG1 4.38Å; V98-V115 HydrophobicContact CB-CG2 3.72Å; V98-V115 HydrophobicContact CG1-CG2 4.12Å; V98-V115 HydrophobicContact CG2-CB 4.4Å; V98-V115 HydrophobicContact CG2-CG1 4.09Å; V98-V115 HydrophobicContact CG2-CG2 4.12Å; V98-I118 HydrophobicContact CG1-CD1 4.1Å; V98-I118 HydrophobicContact CG2-CB 4.39Å; V98-I118 HydrophobicContact CG2-CD1 3.88Å; V98-I118 HydrophobicContact CG2-CG2 4.19Å; V98-V177 HydrophobicContact CG1-CG1 4.09Å; V98-C178 CarbonylContact C-O 3.51Å; V98-C178 WeakPolarHBondContact CA-O 3.18Å; V98-L179 HydrophobicContact CG2-CD1 4.07Å
99	N	98.3	Very high	95.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	152.6	-174.7	-58.4	73.3	0	0	0	112.4	A79 Q81 E97 V177 C178 K180	A79-N99 HydrophobicContact CB-CB 4.03Å; A79-N99 VanDerWaalsContact O-CB 3.27Å; A79-N99 WeakPolarHBondContact O-CB 3.38Å; A79-N99 PolarHBondContact O-ND2 3.18Å; Q81-N99 CarbonylContact O-C 3.48Å; Q81-N99 WeakPolarHBondContact O-CA 3.38Å; Q81-N99 WeakPolarHBondContact O-CB 3.41Å; Q81-N99 PolarHBondContact O-ND2 3.25Å; E97-N99 WeakPolarHBondContact CG-OD1 3.27Å; E97-N99 PolarHBondContact OE1-ND2 2.85Å; E97-N99 PolarHBondContact OE1-OD1 3.49Å; N99-V177 WeakPolarHBondContact O-CA 3.21Å; N99-C178 PolarHBondContact N-O 2.84Å; N99-C178 PolarHBondContact O-N 2.74Å; N99-K180 WeakPolarHBondContact OD1-CB 3.46Å; N99-K180 VanDerWaalsContact OD1-CD 3.3Å; N99-K180 WeakPolarHBondContact OD1-CD 3.19Å
100	C	98.2	Very high	96	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	175.1	168.1	57.4	0	0	0	0	111.1	A79 S80 Q81 T102 V105 F111 K176 V177	A79-C100 CarbonylContact C-O 3.54Å; A79-C100 VanDerWaalsContact CA-O 3.25Å; A79-C100 WeakPolarHBondContact CA-O 3.15Å; A79-C100 WeakPolarHBondContact CB-O 3.5Å; S80-C100 PolarHBondContact N-O 2.73Å; Q81-C100 CarbonylContact C-O 3.56Å; Q81-C100 PolarHBondContact N-O 3.42Å; Q81-C100 VanDerWaalsContact N-O 3.09Å; Q81-C100 PolarHBondContact O-N 3.19Å; Q81-C100 VanDerWaalsContact O-O 3.12Å; C100-T102 PolarHBondContact SG-O 2.94Å; C100-V105 HydrophobicContact CB-CB 4.42Å; C100-V105 HydrophobicContact CB-CG1 4.07Å; C100-F111 HydrophobicContact CB-CE2 3.8Å; C100-F111 HydrophobicContact CB-CZ 4.02Å; C100-K176 VanDerWaalsContact CA-O 3.29Å; C100-K176 WeakPolarHBondContact CA-O 3.28Å; C100-V177 HydrophobicContact CB-CG2 4.5Å
101	E	97.7	Very high	96.6	Very high	44 Å²	44	34.6 Å²	34.6	21%	0.206	18%	0.18	C	C	.	.	S	Bend	trans	-74.6	-42.5	-179.8	-61.7	-179.9	-150.6	0	0	111.5	R77 Q81 E175 K176	R77-E101 WeakPolarHBondContact CD-OE1 3.41Å; R77-E101 WeakPolarHBondContact CD-OE2 3.38Å; R77-E101 IonicContact NH1-OE1 3.35Å; R77-E101 IonicContact NH1-OE2 3.26Å; R77-E101 PolarHBondContact NH1-OE2 3.31Å; Q81-E101 WeakPolarHBondContact CG-O 3.47Å; E101-E175 HydrophobicContact CB-CB 4.01Å; E101-E175 HydrophobicContact CB-CG 4.18Å; E101-E175 HydrophobicContact CG-CB 3.95Å; E101-E175 HydrophobicContact CG-CG 4.49Å; E101-K176 HydrophobicContact CG-CB 3.99Å; E101-K176 WeakPolarHBondContact OE1-CB 3.43Å; E101-K176 PolarHBondContact OE1-N 3.07Å
102	T	98.1	Very high	96.9	Very high	40 Å²	40	34.7 Å²	34.7	25%	0.245	18%	0.176	C	C	.	.			trans	-119.4	154.1	-174	69	0	0	0	0	114.2	Q81 C100 F104 V105 A106 E175	Q81-T102 VanDerWaalsContact CB-C 3.49Å; C100-T102 PolarHBondContact SG-O 2.94Å; T102-F104 VanDerWaalsContact C-N 3.28Å; T102-V105 PolarHBondContact O-N 2.93Å; T102-V105 PolarHBondContact OG1-N 3.42Å; T102-A106 PolarHBondContact O-N 2.85Å; T102-E175 VanDerWaalsContact CG2-OE1 3.25Å; T102-E175 WeakPolarHBondContact CG2-OE1 3.45Å; T102-E175 PolarHBondContact N-OE2 3.44Å; T102-E175 PolarHBondContact OG1-OE1 3.06Å; T102-E175 PolarHBondContact OG1-OE2 2.94Å
103	D	97.2	Very high	97	Very high	44 Å²	44	38.8 Å²	38.8	24%	0.235	20%	0.198	C	C	.	.	H	α-helix	trans	-72	-25	173.6	69.6	-31	0	0	0	112	Q81 V105 A106 R107	Q81-D103 HydrophobicContact CG-CB 4.45Å; D103-V105 VanDerWaalsContact C-N 3.33Å; D103-V105 PolarHBondContact O-N 3.27Å; D103-A106 PolarHBondContact O-N 3.2Å; D103-R107 WeakPolarHBondContact O-CG 3.28Å; D103-R107 PolarHBondContact O-N 3.31Å; D103-R107 VanDerWaalsContact O-N 3.09Å; D103-R107 IonicContact OD2-CZ 3.96Å; D103-R107 VanDerWaalsContact OD2-CZ 3.26Å; D103-R107 IonicContact OD2-NH1 3.26Å; D103-R107 IonicContact OD2-NH2 3.52Å; D103-R107 PolarHBondContact OD2-NH2 3.11Å
104	F	97.4	Very high	97	Very high	163 Å²	163	38.9 Å²	38.9	72%	0.715	20%	0.198	S	C	*	.	H	α-helix	trans	-57	-45.5	172.5	-64.2	-70	0	0	0	111.8	T102 T108	T102-F104 VanDerWaalsContact C-N 3.28Å; F104-T108 WeakPolarHBondContact O-CG2 3.11Å
105	V	97.7	Very high	97	Very high	13 Å²	13	38.9 Å²	38.9	8%	0.079	20%	0.198	C	C	.	.	H	α-helix	trans	-67	-45.2	175.2	170.5	0	0	0	0	110.9	C100 T102 D103 R107 T108 F111 F173 E175	C100-V105 HydrophobicContact CB-CB 4.42Å; C100-V105 HydrophobicContact CB-CG1 4.07Å; T102-V105 PolarHBondContact O-N 2.93Å; T102-V105 PolarHBondContact OG1-N 3.42Å; D103-V105 VanDerWaalsContact C-N 3.33Å; D103-V105 PolarHBondContact O-N 3.27Å; V105-R107 PolarHBondContact O-N 3.21Å; V105-T108 WeakPolarHBondContact O-CB 3.46Å; V105-T108 WeakPolarHBondContact O-CG2 3.3Å; V105-T108 PolarHBondContact O-N 2.88Å; V105-T108 PolarHBondContact O-OG1 3.09Å; V105-F111 HydrophobicContact CG1-CB 4.42Å; V105-F111 HydrophobicContact CG1-CD2 3.7Å; V105-F111 HydrophobicContact CG1-CE2 4.27Å; V105-F111 HydrophobicContact CG1-CG 4.22Å; V105-F111 WeakPolarHBondContact O-CB 3.45Å; V105-F173 HydrophobicContact CG1-CB 4.16Å; V105-F173 HydrophobicContact CG1-CD1 3.7Å; V105-F173 HydrophobicContact CG1-CD2 4.05Å; V105-F173 HydrophobicContact CG1-CE1 4.05Å; V105-F173 HydrophobicContact CG1-CE2 4.37Å; V105-F173 HydrophobicContact CG1-CG 3.7Å; V105-F173 HydrophobicContact CG1-CZ 4.37Å; V105-F173 HydrophobicContact CG2-CB 4.24Å; V105-F173 HydrophobicContact CG2-CD1 4.38Å; V105-E175 WeakPolarHBondContact CG2-OE2 3.26Å
106	A	97	Very high	97	Very high	3 Å²	3	39.2 Å²	39.2	3%	0.025	20%	0.2	C	C	.	.	H	α-helix	trans	-57.3	-33.3	-177.3	0	0	0	0	0	113.5	L83 T102 D103 T108 F111	L83-A106 WeakPolarHBondContact CD1-O 3.22Å; L83-A106 HydrophobicContact CG-CB 4.48Å; T102-A106 PolarHBondContact O-N 2.85Å; D103-A106 PolarHBondContact O-N 3.2Å; A106-T108 VanDerWaalsContact C-N 3.33Å; A106-T108 PolarHBondContact O-N 3.46Å; A106-F111 HydrophobicContact CB-CD1 4.39Å; A106-F111 HydrophobicContact CB-CE1 4.43Å
107	R	94.2	Very high	96.9	Very high	170 Å²	170	39.5 Å²	39.5	64%	0.642	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-4.2	-178.9	-67.1	176.4	-171.4	156.9	16.5	114.4	D103 V105	D103-R107 WeakPolarHBondContact O-CG 3.28Å; D103-R107 PolarHBondContact O-N 3.31Å; D103-R107 VanDerWaalsContact O-N 3.09Å; D103-R107 IonicContact OD2-CZ 3.96Å; D103-R107 VanDerWaalsContact OD2-CZ 3.26Å; D103-R107 IonicContact OD2-NH1 3.26Å; D103-R107 IonicContact OD2-NH2 3.52Å; D103-R107 PolarHBondContact OD2-NH2 3.11Å; V105-R107 PolarHBondContact O-N 3.21Å
108	T	95.2	Very high	96.9	Very high	50 Å²	50	39.5 Å²	39.5	31%	0.307	20%	0.202	S	C	.	.	S	Bend	trans	-75.9	145.8	-179.9	67.1	0	0	0	0	111.7	F104 V105 A106 N110 F111 C112	F104-T108 WeakPolarHBondContact O-CG2 3.11Å; V105-T108 WeakPolarHBondContact O-CB 3.46Å; V105-T108 WeakPolarHBondContact O-CG2 3.3Å; V105-T108 PolarHBondContact O-N 2.88Å; V105-T108 PolarHBondContact O-OG1 3.09Å; A106-T108 VanDerWaalsContact C-N 3.33Å; A106-T108 PolarHBondContact O-N 3.46Å; T108-N110 PolarHBondContact O-N 2.9Å; T108-F111 PolarHBondContact O-N 3.33Å; T108-F111 VanDerWaalsContact O-N 3.13Å; T108-F111 WeakPolarHBondContact OG1-CB 3.43Å; T108-F111 PolarHBondContact OG1-N 3.47Å; T108-C112 PolarHBondContact O-N 3.49Å; T108-C112 PolarHBondContact O-SG 3.38Å; T108-C112 VanDerWaalsContact O-SG 3.34Å
109	S	94.2	Very high	96.9	Very high	83 Å²	83	39.5 Å²	39.5	58%	0.58	20%	0.202	S	C	*	.	H	α-helix	trans	-56.3	-37.1	174.9	55.9	0	0	0	0	112.5	C112 L113	S109-C112 PolarHBondContact O-N 3.29Å; S109-L113 WeakPolarHBondContact O-CB 3.39Å; S109-L113 VanDerWaalsContact O-CG 3.26Å; S109-L113 WeakPolarHBondContact O-CG 3.31Å; S109-L113 PolarHBondContact O-N 2.94Å
110	N	94.4	Very high	96.8	Very high	94 Å²	94	46 Å²	46	50%	0.503	23%	0.227	S	C	.	.	H	α-helix	trans	-64.4	-41.7	179.3	-67.7	-4.6	0	0	0	111.5	T108 L113 L114 F173	T108-N110 PolarHBondContact O-N 2.9Å; N110-L113 PolarHBondContact O-N 2.78Å; N110-L114 WeakPolarHBondContact O-CB 3.41Å; N110-L114 PolarHBondContact O-N 3.32Å; N110-F173 HydrophobicContact CB-CE1 4.23Å; N110-F173 HydrophobicContact CB-CZ 4.13Å
111	F	96.9	Very high	96.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-68.6	-43.2	176.8	-166.7	-93.3	0	0	0	111.3	L83 V98 C100 V105 A106 T108 L113 L114 V115 F173 V177	L83-F111 HydrophobicContact CB-CE1 4.22Å; L83-F111 HydrophobicContact CD1-CD1 3.83Å; L83-F111 HydrophobicContact CD1-CE1 4.2Å; L83-F111 HydrophobicContact CG-CD1 4.15Å; L83-F111 HydrophobicContact CG-CE1 4.07Å; V98-F111 HydrophobicContact CB-CZ 4.43Å; V98-F111 HydrophobicContact CG1-CE2 4.36Å; V98-F111 HydrophobicContact CG1-CZ 3.91Å; C100-F111 HydrophobicContact CB-CE2 3.8Å; C100-F111 HydrophobicContact CB-CZ 4.02Å; V105-F111 HydrophobicContact CG1-CB 4.42Å; V105-F111 HydrophobicContact CG1-CD2 3.7Å; V105-F111 HydrophobicContact CG1-CE2 4.27Å; V105-F111 HydrophobicContact CG1-CG 4.22Å; V105-F111 WeakPolarHBondContact O-CB 3.45Å; A106-F111 HydrophobicContact CB-CD1 4.39Å; A106-F111 HydrophobicContact CB-CE1 4.43Å; T108-F111 PolarHBondContact O-N 3.33Å; T108-F111 VanDerWaalsContact O-N 3.13Å; T108-F111 WeakPolarHBondContact OG1-CB 3.43Å; T108-F111 PolarHBondContact OG1-N 3.47Å; F111-L113 VanDerWaalsContact C-N 3.3Å; F111-L113 PolarHBondContact O-N 2.87Å; F111-L114 HydrophobicContact CD2-CD2 4.33Å; F111-L114 HydrophobicContact CE2-CD2 4.45Å; F111-L114 WeakPolarHBondContact O-CB 3.35Å; F111-L114 PolarHBondContact O-N 3.35Å; F111-L114 VanDerWaalsContact O-N 3.13Å; F111-V115 HydrophobicContact CD1-CG2 3.81Å; F111-V115 HydrophobicContact CE1-CG2 3.54Å; F111-V115 HydrophobicContact CZ-CG2 4.14Å; F111-V115 VanDerWaalsContact O-CG2 3.29Å; F111-V115 WeakPolarHBondContact O-CG2 3.25Å; F111-V115 PolarHBondContact O-N 3.44Å; F111-F173 HydrophobicContact CB-CZ 4.03Å; F111-F173 HydrophobicContact CD2-CD2 4.48Å; F111-F173 AromaticContact CD2-CE2 3.86Å; F111-F173 HydrophobicContact CD2-CE2 3.86Å; F111-F173 HydrophobicContact CD2-CZ 4.1Å; F111-V177 HydrophobicContact CE2-CG1 4.1Å; F111-V177 HydrophobicContact CE2-CG2 4.31Å
112	C	96.5	Very high	96.6	Very high	25 Å²	25	44.2 Å²	44.2	17%	0.169	22%	0.22	C	C	.	.	H	α-helix	trans	-56.7	-43.2	174.5	-62.1	0	0	0	0	112.5	L83 T108 S109 V115 T116 P207 V209	L83-C112 HydrophobicContact CD1-CB 4.49Å; T108-C112 PolarHBondContact O-N 3.49Å; T108-C112 PolarHBondContact O-SG 3.38Å; T108-C112 VanDerWaalsContact O-SG 3.34Å; S109-C112 PolarHBondContact O-N 3.29Å; C112-V115 PolarHBondContact O-N 3.23Å; C112-T116 PolarHBondContact O-N 2.95Å; C112-T116 VanDerWaalsContact O-N 3.07Å; C112-T116 PolarHBondContact O-OG1 3.23Å; C112-P207 HydrophobicContact CB-CB 4.45Å; C112-P207 HydrophobicContact CB-CG 4.44Å; C112-V209 HydrophobicContact CB-CG2 4.07Å
113	L	95.7	Very high	96.5	Very high	86 Å²	86	43.1 Å²	43.1	45%	0.45	21%	0.211	S	C	.	.	H	α-helix	trans	-67.7	-37.5	176.8	-71	172.8	0	0	0	112.4	S109 N110 F111 T116 A117 P207	S109-L113 WeakPolarHBondContact O-CB 3.39Å; S109-L113 VanDerWaalsContact O-CG 3.26Å; S109-L113 WeakPolarHBondContact O-CG 3.31Å; S109-L113 PolarHBondContact O-N 2.94Å; N110-L113 PolarHBondContact O-N 2.78Å; F111-L113 VanDerWaalsContact C-N 3.3Å; F111-L113 PolarHBondContact O-N 2.87Å; L113-T116 PolarHBondContact O-N 2.9Å; L113-A117 WeakPolarHBondContact O-CB 3.41Å; L113-A117 PolarHBondContact O-N 2.96Å; L113-P207 HydrophobicContact CD2-CG 4.33Å
114	L	97.5	Very high	96.3	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-59.5	-53.1	173.2	173.4	66.2	0	0	0	110.5	N110 F111 T116 A117 I118 L165 S169 F173 V177	N110-L114 WeakPolarHBondContact O-CB 3.41Å; N110-L114 PolarHBondContact O-N 3.32Å; F111-L114 HydrophobicContact CD2-CD2 4.33Å; F111-L114 HydrophobicContact CE2-CD2 4.45Å; F111-L114 WeakPolarHBondContact O-CB 3.35Å; F111-L114 PolarHBondContact O-N 3.35Å; F111-L114 VanDerWaalsContact O-N 3.13Å; L114-T116 PolarHBondContact O-N 2.76Å; L114-A117 PolarHBondContact O-N 3.09Å; L114-A117 VanDerWaalsContact O-N 3.09Å; L114-I118 HydrophobicContact CD1-CD1 3.88Å; L114-I118 HydrophobicContact CD1-CG1 4.18Å; L114-I118 HydrophobicContact CG-CD1 3.9Å; L114-I118 HydrophobicContact CG-CG1 4.49Å; L114-I118 VanDerWaalsContact O-CG1 3.31Å; L114-I118 WeakPolarHBondContact O-CG1 3.1Å; L114-I118 PolarHBondContact O-N 2.93Å; L114-L165 HydrophobicContact CD1-CD1 4.17Å; L114-L165 HydrophobicContact CD1-CD2 3.69Å; L114-L165 HydrophobicContact CD1-CG 3.66Å; L114-S169 WeakPolarHBondContact CD1-OG 3.36Å; L114-S169 WeakPolarHBondContact CD2-OG 3.04Å; L114-F173 HydrophobicContact CD2-CE2 4.2Å; L114-V177 HydrophobicContact CD2-CG1 4.01Å
115	V	98.2	Very high	96.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-57.5	-41.3	179.8	179.3	0	0	0	0	111.2	L83 V96 V98 F111 C112 I118 A119 V209	L83-V115 HydrophobicContact CB-CG1 4.4Å; L83-V115 HydrophobicContact CB-CG2 4.11Å; L83-V115 HydrophobicContact CD1-CG2 4.39Å; V96-V115 HydrophobicContact CG2-CG1 4.16Å; V98-V115 HydrophobicContact CB-CG1 4.38Å; V98-V115 HydrophobicContact CB-CG2 3.72Å; V98-V115 HydrophobicContact CG1-CG2 4.12Å; V98-V115 HydrophobicContact CG2-CB 4.4Å; V98-V115 HydrophobicContact CG2-CG1 4.09Å; V98-V115 HydrophobicContact CG2-CG2 4.12Å; F111-V115 HydrophobicContact CD1-CG2 3.81Å; F111-V115 HydrophobicContact CE1-CG2 3.54Å; F111-V115 HydrophobicContact CZ-CG2 4.14Å; F111-V115 VanDerWaalsContact O-CG2 3.29Å; F111-V115 WeakPolarHBondContact O-CG2 3.25Å; F111-V115 PolarHBondContact O-N 3.44Å; C112-V115 PolarHBondContact O-N 3.23Å; V115-I118 PolarHBondContact O-N 3.37Å; V115-A119 WeakPolarHBondContact O-CB 3.34Å; V115-A119 PolarHBondContact O-N 2.85Å; V115-V209 HydrophobicContact CB-CG1 4.16Å; V115-V209 HydrophobicContact CG1-CG1 3.95Å
116	T	97.1	Very high	95.9	Very high	8 Å²	8	37.1 Å²	37.1	5%	0.049	20%	0.196	C	C	.	.	H	α-helix	trans	-63.2	-44	176.8	-53.3	0	0	0	0	112.2	C112 L113 L114 I118 A119 R120 P207	C112-T116 PolarHBondContact O-N 2.95Å; C112-T116 VanDerWaalsContact O-N 3.07Å; C112-T116 PolarHBondContact O-OG1 3.23Å; L113-T116 PolarHBondContact O-N 2.9Å; L114-T116 PolarHBondContact O-N 2.76Å; T116-I118 VanDerWaalsContact C-N 3.34Å; T116-A119 PolarHBondContact O-N 3.16Å; T116-R120 VanDerWaalsContact CG2-CZ 3.46Å; T116-R120 WeakPolarHBondContact O-CG 3.39Å; T116-R120 PolarHBondContact O-N 3.15Å; T116-P207 VanDerWaalsContact OG1-CB 3.26Å; T116-P207 WeakPolarHBondContact OG1-CB 3.36Å
117	A	97.3	Very high	95.6	Very high	5 Å²	5	39.8 Å²	39.8	4%	0.041	21%	0.209	C	C	.	.	H	α-helix	trans	-64.4	-40.7	178.7	0	0	0	0	0	111.5	L113 L114 R120 A121 V153 H155	L113-A117 WeakPolarHBondContact O-CB 3.41Å; L113-A117 PolarHBondContact O-N 2.96Å; L114-A117 PolarHBondContact O-N 3.09Å; L114-A117 VanDerWaalsContact O-N 3.09Å; A117-R120 PolarHBondContact O-N 3.33Å; A117-A121 WeakPolarHBondContact O-CB 2.96Å; A117-A121 PolarHBondContact O-N 3.23Å; A117-V153 HydrophobicContact CB-CG1 3.78Å; A117-H155 HydrophobicContact CB-CB 4.03Å
118	I	97.8	Very high	95.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.8	-48.9	174.9	-64.2	176.5	0	0	0	110.5	V98 L114 V115 T116 R120 A121 C122 L162 I166 L179	V98-I118 HydrophobicContact CG1-CD1 4.1Å; V98-I118 HydrophobicContact CG2-CB 4.39Å; V98-I118 HydrophobicContact CG2-CD1 3.88Å; V98-I118 HydrophobicContact CG2-CG2 4.19Å; L114-I118 HydrophobicContact CD1-CD1 3.88Å; L114-I118 HydrophobicContact CD1-CG1 4.18Å; L114-I118 HydrophobicContact CG-CD1 3.9Å; L114-I118 HydrophobicContact CG-CG1 4.49Å; L114-I118 VanDerWaalsContact O-CG1 3.31Å; L114-I118 WeakPolarHBondContact O-CG1 3.1Å; L114-I118 PolarHBondContact O-N 2.93Å; V115-I118 PolarHBondContact O-N 3.37Å; T116-I118 VanDerWaalsContact C-N 3.34Å; I118-R120 VanDerWaalsContact C-N 3.3Å; I118-R120 PolarHBondContact O-N 3.11Å; I118-A121 PolarHBondContact O-N 2.89Å; I118-A121 VanDerWaalsContact O-N 3.16Å; I118-C122 PolarHBondContact O-N 3.05Å; I118-C122 PolarHBondContact O-SG 3.12Å; I118-L162 HydrophobicContact CB-CD1 4.27Å; I118-L162 HydrophobicContact CD1-CD1 4.18Å; I118-L162 HydrophobicContact CG1-CD1 3.63Å; I118-L162 HydrophobicContact CG2-CD1 4.04Å; I118-I166 HydrophobicContact CD1-CD1 4.47Å; I118-I166 HydrophobicContact CD1-CG1 4.18Å; I118-L179 HydrophobicContact CG2-CD1 3.95Å; I118-L179 HydrophobicContact CG2-CD2 4.05Å; I118-L179 HydrophobicContact CG2-CG 4.45Å
119	A	97.8	Very high	95	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-56.5	-43.7	178.4	0	0	0	0	0	112.2	A94 V96 V115 T116 C122 R123	A94-A119 WeakPolarHBondContact CB-O 3.46Å; V96-A119 HydrophobicContact CG1-CB 4.3Å; V96-A119 HydrophobicContact CG2-CB 3.67Å; V115-A119 WeakPolarHBondContact O-CB 3.34Å; V115-A119 PolarHBondContact O-N 2.85Å; T116-A119 PolarHBondContact O-N 3.16Å; A119-C122 PolarHBondContact O-N 2.86Å; A119-R123 PolarHBondContact O-N 3.13Å
120	R	96.8	Very high	94.5	Very high	136 Å²	136	34.9 Å²	34.9	51%	0.513	20%	0.199	S	C	.	.	H	α-helix	trans	-62.4	-45.9	176	-74.5	177.3	-177.7	137.3	2.6	112.5	S87 T116 A117 I118 R123 A124	S87-R120 WeakPolarHBondContact OG-CA 3.5Å; S87-R120 WeakPolarHBondContact OG-CG 3.39Å; T116-R120 VanDerWaalsContact CG2-CZ 3.46Å; T116-R120 WeakPolarHBondContact O-CG 3.39Å; T116-R120 PolarHBondContact O-N 3.15Å; A117-R120 PolarHBondContact O-N 3.33Å; I118-R120 VanDerWaalsContact C-N 3.3Å; I118-R120 PolarHBondContact O-N 3.11Å; R120-R123 PolarHBondContact O-N 3.08Å; R120-A124 WeakPolarHBondContact O-CB 3.45Å; R120-A124 PolarHBondContact O-N 2.76Å
121	A	96.2	Very high	93.5	Very high	6 Å²	6	35.9 Å²	35.9	5%	0.05	21%	0.211	C	C	.	.	H	α-helix	trans	-65.5	-40.6	179.8	0	0	0	0	0	112.2	A117 I118 A124 T125 V153	A117-A121 WeakPolarHBondContact O-CB 2.96Å; A117-A121 PolarHBondContact O-N 3.23Å; I118-A121 PolarHBondContact O-N 2.89Å; I118-A121 VanDerWaalsContact O-N 3.16Å; A121-A124 PolarHBondContact O-N 2.97Å; A121-T125 WeakPolarHBondContact O-CB 3.35Å; A121-T125 PolarHBondContact O-N 2.82Å; A121-T125 PolarHBondContact O-OG1 2.84Å; A121-V153 HydrophobicContact CB-CB 4.14Å; A121-V153 HydrophobicContact CB-CG1 4.08Å; A121-V153 HydrophobicContact CB-CG2 3.6Å
122	C	96	Very high	92.3	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.007	23%	0.231	C	C	.	.	H	α-helix	trans	-60.1	-49	174.5	-65.9	0	0	0	0	111.3	A94 V96 I118 A119 A124 T125 V126 L148 C182	A94-C122 HydrophobicContact CB-CB 4.42Å; V96-C122 HydrophobicContact CG1-CB 4.19Å; I118-C122 PolarHBondContact O-N 3.05Å; I118-C122 PolarHBondContact O-SG 3.12Å; A119-C122 PolarHBondContact O-N 2.86Å; C122-A124 PolarHBondContact O-N 2.91Å; C122-T125 PolarHBondContact O-N 2.94Å; C122-V126 WeakPolarHBondContact O-CG2 3.41Å; C122-V126 PolarHBondContact O-N 3.27Å; C122-L148 HydrophobicContact CB-CD1 4.43Å; C122-L148 HydrophobicContact CB-CD2 4.13Å; C122-L148 VanDerWaalsContact SG-CD1 3.57Å; C122-C182 VanDerWaalsContact CB-SG 3.51Å
123	R	95.5	Very high	91	Very high	18 Å²	18	39.2 Å²	39.2	7%	0.068	23%	0.23	C	C	.	.	H	α-helix	trans	-56.4	-51.8	175.6	-173.2	-169.7	57.2	-155	-2.2	111.4	S87 L88 E89 A92 A94 A119 R120 T125 V126 I127	S87-R123 PolarHBondContact OG-NH1 2.8Å; L88-R123 PolarHBondContact O-NH1 2.8Å; E89-R123 IonicContact OE2-CZ 2.62Å; E89-R123 VanDerWaalsContact OE2-CZ 3.26Å; E89-R123 IonicContact OE2-NH1 2.98Å; E89-R123 IonicContact OE2-NH2 3.5Å; E89-R123 PolarHBondContact OE2-NH2 2.82Å; A92-R123 HydrophobicContact CB-CG 3.81Å; A92-R123 WeakPolarHBondContact O-CD 3.49Å; A94-R123 HydrophobicContact CB-CB 3.69Å; A94-R123 HydrophobicContact CB-CG 4.47Å; A119-R123 PolarHBondContact O-N 3.13Å; R120-R123 PolarHBondContact O-N 3.08Å; R123-T125 VanDerWaalsContact C-N 3.3Å; R123-T125 PolarHBondContact O-N 2.87Å; R123-V126 PolarHBondContact O-N 3.03Å; R123-I127 HydrophobicContact CG-CD1 3.98Å; R123-I127 HydrophobicContact CG-CG1 4.49Å; R123-I127 WeakPolarHBondContact O-CG1 3.4Å; R123-I127 PolarHBondContact O-N 2.84Å
124	A	93.8	Very high	89.5	Confident	58 Å²	58	40.9 Å²	40.9	48%	0.479	24%	0.235	S	C	.	.	H	α-helix	trans	-60.9	-39.3	-178	0	0	0	0	0	112.3	R120 A121 C122 G128	R120-A124 WeakPolarHBondContact O-CB 3.45Å; R120-A124 PolarHBondContact O-N 2.76Å; A121-A124 PolarHBondContact O-N 2.97Å; C122-A124 PolarHBondContact O-N 2.91Å; A124-G128 PolarHBondContact O-N 2.88Å
125	T	93.6	Very high	88.1	Confident	28 Å²	28	48.3 Å²	48.3	17%	0.172	27%	0.27	C	S	.	.	H	α-helix	trans	-62.8	-46.1	176.6	-56.8	0	0	0	0	111.1	A121 C122 R123 G128 N129 L148 A151	A121-T125 WeakPolarHBondContact O-CB 3.35Å; A121-T125 PolarHBondContact O-N 2.82Å; A121-T125 PolarHBondContact O-OG1 2.84Å; C122-T125 PolarHBondContact O-N 2.94Å; R123-T125 VanDerWaalsContact C-N 3.3Å; R123-T125 PolarHBondContact O-N 2.87Å; T125-G128 PolarHBondContact O-N 3.26Å; T125-N129 PolarHBondContact O-N 2.83Å; T125-N129 VanDerWaalsContact O-N 3.09Å; T125-L148 HydrophobicContact CG2-CD2 4.14Å; T125-A151 VanDerWaalsContact OG1-CB 3.26Å; T125-A151 WeakPolarHBondContact OG1-CB 3.04Å
126	V	91.9	Very high	86.8	Confident	8 Å²	8	51.6 Å²	51.6	5%	0.048	29%	0.293	C	S	.	.	H	α-helix	trans	-66.9	-42.7	-179.7	172.2	0	0	0	0	111.8	C122 R123 G128 N129 Q130 I141 V143 C184 L186	C122-V126 WeakPolarHBondContact O-CG2 3.41Å; C122-V126 PolarHBondContact O-N 3.27Å; R123-V126 PolarHBondContact O-N 3.03Å; V126-G128 VanDerWaalsContact C-N 3.31Å; V126-G128 PolarHBondContact O-N 3.46Å; V126-N129 PolarHBondContact O-N 3.05Å; V126-N129 VanDerWaalsContact O-N 3.16Å; V126-Q130 HydrophobicContact CG1-CG 4.34Å; V126-Q130 WeakPolarHBondContact O-CB 3.38Å; V126-Q130 WeakPolarHBondContact O-CG 3.26Å; V126-Q130 PolarHBondContact O-N 3.33Å; V126-Q130 VanDerWaalsContact O-N 3.11Å; V126-I141 HydrophobicContact CG1-CD1 3.87Å; V126-V143 HydrophobicContact CG2-CG1 4.12Å; V126-V143 HydrophobicContact CG2-CG2 3.52Å; V126-C184 HydrophobicContact CB-CB 4.24Å; V126-C184 HydrophobicContact CG1-CB 3.91Å; V126-C184 HydrophobicContact CG2-CB 4.16Å; V126-L186 HydrophobicContact CG1-CD1 3.88Å; V126-L186 HydrophobicContact CG1-CD2 4.18Å; V126-L186 HydrophobicContact CG1-CG 4.3Å
127	I	90.2	Very high	86.1	Confident	58 Å²	58	55.1 Å²	55.1	30%	0.297	31%	0.311	S	S	.	.	H	α-helix	trans	-57.8	-47.1	174.1	-65.1	169.8	0	0	0	110.2	A92 R123 N129 Q130	A92-I127 HydrophobicContact CB-CD1 3.49Å; A92-I127 VanDerWaalsContact CB-CD1 3.49Å; A92-I127 HydrophobicContact CB-CG1 3.57Å; R123-I127 HydrophobicContact CG-CD1 3.98Å; R123-I127 HydrophobicContact CG-CG1 4.49Å; R123-I127 WeakPolarHBondContact O-CG1 3.4Å; R123-I127 PolarHBondContact O-N 2.84Å; I127-N129 PolarHBondContact O-N 2.86Å; I127-Q130 CarbonylContact O-C 3.5Å; I127-Q130 PolarHBondContact O-N 2.86Å
128	G	89.6	Confident	85.8	Confident	60 Å²	60	56.4 Å²	56.4	62%	0.619	32%	0.319	S	S	*	.	H	α-helix	trans	-59.5	-29.9	178.8	0	0	0	0	0	113.7	A124 T125 V126	A124-G128 PolarHBondContact O-N 2.88Å; T125-G128 PolarHBondContact O-N 3.26Å; V126-G128 VanDerWaalsContact C-N 3.31Å; V126-G128 PolarHBondContact O-N 3.46Å
129	N	87.7	Confident	85.5	Confident	92 Å²	92	60.5 Å²	60.5	49%	0.492	34%	0.337	S	S	.	.	H	α-helix	trans	-88.1	-6.6	177.4	-67.9	-15.1	0	0	0	113.8	T125 V126 I127 P131	T125-N129 PolarHBondContact O-N 2.83Å; T125-N129 VanDerWaalsContact O-N 3.09Å; V126-N129 PolarHBondContact O-N 3.05Å; V126-N129 VanDerWaalsContact O-N 3.16Å; I127-N129 PolarHBondContact O-N 2.86Å; N129-P131 VanDerWaalsContact C-CD 3.47Å; N129-P131 WeakPolarHBondContact O-CD 3.28Å
130	Q	84	Confident	85.4	Confident	48 Å²	48	65 Å²	65	22%	0.224	36%	0.356	C	S	.	.			trans	-123.6	68.1	-177	-63	-65	-50.3	0	0	111.3	V126 I127 T132 L133 I141 L186	V126-Q130 HydrophobicContact CG1-CG 4.34Å; V126-Q130 WeakPolarHBondContact O-CB 3.38Å; V126-Q130 WeakPolarHBondContact O-CG 3.26Å; V126-Q130 PolarHBondContact O-N 3.33Å; V126-Q130 VanDerWaalsContact O-N 3.11Å; I127-Q130 CarbonylContact O-C 3.5Å; I127-Q130 PolarHBondContact O-N 2.86Å; Q130-T132 PolarHBondContact O-N 2.73Å; Q130-T132 VanDerWaalsContact O-N 3.08Å; Q130-L133 PolarHBondContact O-N 2.65Å; Q130-I141 HydrophobicContact CG-CD1 3.93Å; Q130-L186 HydrophobicContact CB-CD1 4.02Å; Q130-L186 HydrophobicContact CG-CD1 3.78Å
131	P	72.6	Confident	85.2	Confident	115 Å²	115	60 Å²	60	75%	0.747	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-17.4	-177.5	27.2	-35.3	0	0	0	113.6	N129	N129-P131 VanDerWaalsContact C-CD 3.47Å; N129-P131 WeakPolarHBondContact O-CD 3.28Å
132	T	72.4	Confident	85.1	Confident	70 Å²	70	62.5 Å²	62.5	43%	0.429	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	24.2	179.4	54.2	0	0	0	0	113.5	Q130 H134 Q135	Q130-T132 PolarHBondContact O-N 2.73Å; Q130-T132 VanDerWaalsContact O-N 3.08Å; T132-H134 PolarHBondContact O-N 3.21Å; T132-Q135 PolarHBondContact O-N 2.87Å
133	L	68.9	Low	85	Confident	26 Å²	26	62.7 Å²	62.7	14%	0.136	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-41.2	-39.1	177.6	-177.2	65.8	0	0	0	113.2	Q130 Q135 L186	Q130-L133 PolarHBondContact O-N 2.65Å; L133-Q135 VanDerWaalsContact C-N 3.28Å; L133-Q135 PolarHBondContact O-N 3.5Å; L133-L186 HydrophobicContact CD1-CB 3.5Å; L133-L186 HydrophobicContact CD1-CD1 3.97Å; L133-L186 HydrophobicContact CD1-CD2 4.01Å; L133-L186 HydrophobicContact CD1-CG 4.03Å
134	H	64.1	Low	84.8	Confident	121 Å²	121	64.5 Å²	64.5	56%	0.56	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-74.9	-2.7	-176.3	-54.1	-62.8	0	0	0	116	T132 N189	T132-H134 PolarHBondContact O-N 3.21Å; H134-N189 PolarHBondContact CE1-OD1 2.79Å; H134-N189 VanDerWaalsContact CE1-OD1 3.25Å; H134-N189 PolarHBondContact ND1-OD1 2.8Å; H134-N189 VanDerWaalsContact ND1-OD1 3.14Å
135	Q	68.5	Low	84.7	Confident	157 Å²	157	65 Å²	65	73%	0.734	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-96.8	-16.3	-174.6	-67.1	-178.9	-2.8	0	0	114.5	T132 L133	T132-Q135 PolarHBondContact O-N 2.87Å; L133-Q135 VanDerWaalsContact C-N 3.28Å; L133-Q135 PolarHBondContact O-N 3.5Å
136	S	71.5	Confident	84.5	Confident	69 Å²	69	69.4 Å²	69.4	48%	0.483	38%	0.382	S	S	.	.	S	Bend	trans	-122.9	137.5	179.4	-61.8	0	0	0	0	109.4
137	L	82	Confident	84.4	Confident	82 Å²	82	73.9 Å²	73.9	43%	0.429	40%	0.403	S	S	.	.	S	Bend	trans	-56.9	-55.1	-177.8	-74.2	169.2	0	0	0	111.1	T187 S188 M191 F322	L137-T187 CarbonylContact O-C 3.55Å; L137-T187 VanDerWaalsContact O-CA 3.27Å; L137-T187 WeakPolarHBondContact O-CA 3.4Å; L137-S188 PolarHBondContact O-N 3.38Å; L137-S188 PolarHBondContact O-OG 2.93Å; L137-M191 HydrophobicContact CB-SD 3.85Å; L137-M191 HydrophobicContact CD2-SD 4.27Å; L137-F322 HydrophobicContact CB-CD1 4.37Å; L137-F322 HydrophobicContact CB-CE1 4.27Å; L137-F322 HydrophobicContact CD1-CE1 3.65Å; L137-F322 HydrophobicContact CD1-CZ 4.21Å
138	C	90.2	Very high	84.5	Confident	31 Å²	31	71.2 Å²	71.2	21%	0.209	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	142.9	177.1	-177.2	0	0	0	0	110.3	L186 M191 A217 F322	C138-L186 CarbonylContact C-O 3.54Å; C138-L186 VanDerWaalsContact CA-O 3.26Å; C138-L186 WeakPolarHBondContact CA-O 3.47Å; C138-M191 HydrophobicContact CB-CE 4.11Å; C138-M191 HydrophobicContact CB-SD 4.43Å; C138-A217 HydrophobicContact CB-CB 4.5Å; C138-F322 HydrophobicContact CB-CB 4.06Å
139	K	92.7	Very high	84.1	Confident	86 Å²	86	70.3 Å²	70.3	37%	0.374	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	118.8	174.1	-174.7	177.9	178.6	177.8	0	110.3	I141 L186	K139-I141 HydrophobicContact CD-CD1 3.99Å; K139-I141 HydrophobicContact CD-CG1 4.14Å; K139-I141 HydrophobicContact CG-CD1 4.25Å; K139-I141 HydrophobicContact CG-CG1 3.9Å; K139-L186 HydrophobicContact CB-CB 4.3Å; K139-L186 PolarHBondContact N-O 2.93Å; K139-L186 WeakPolarHBondContact O-CB 3.29Å; K139-L186 PolarHBondContact O-N 2.95Å
140	K	94.5	Very high	84.1	Confident	94 Å²	94	69.7 Å²	69.7	41%	0.409	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	131	168	-172.1	-176.7	-51.5	-179.8	0	109.9	T183 C184 L185 D323 F324 V325	K140-T183 HydrophobicContact CD-CG2 4.2Å; K140-T183 HydrophobicContact CG-CG2 3.66Å; K140-C184 CarbonylContact C-O 3.51Å; K140-C184 WeakPolarHBondContact CA-O 3.41Å; K140-L185 HydrophobicContact CB-CD1 3.75Å; K140-L185 HydrophobicContact CG-CD1 4.15Å; K140-D323 WeakPolarHBondContact CB-OD2 3.48Å; K140-D323 WeakPolarHBondContact CE-OD1 3.4Å; K140-D323 WeakPolarHBondContact CE-OD2 3.17Å; K140-D323 IonicContact NZ-OD1 3.58Å; K140-D323 PolarHBondContact NZ-OD1 2.98Å; K140-D323 IonicContact NZ-OD2 3.9Å; K140-F324 WeakPolarHBondContact CE-O 3.28Å; K140-F324 PolarHBondContact NZ-O 2.99Å; K140-V325 HydrophobicContact CD-CG2 3.84Å; K140-V325 HydrophobicContact CG-CG2 3.99Å
141	I	93.9	Very high	84.6	Confident	31 Å²	31	67.7 Å²	67.7	16%	0.159	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	111.1	179.7	-55.1	-179.9	0	0	0	108.2	V126 Q130 K139 V143 T183 C184 L186	V126-I141 HydrophobicContact CG1-CD1 3.87Å; Q130-I141 HydrophobicContact CG-CD1 3.93Å; K139-I141 HydrophobicContact CD-CD1 3.99Å; K139-I141 HydrophobicContact CD-CG1 4.14Å; K139-I141 HydrophobicContact CG-CD1 4.25Å; K139-I141 HydrophobicContact CG-CG1 3.9Å; I141-V143 HydrophobicContact CG2-CG2 4.29Å; I141-V143 PolarHBondContact O-N 3.26Å; I141-T183 CarbonylContact O-C 3.53Å; I141-T183 WeakPolarHBondContact O-CA 3.37Å; I141-C184 PolarHBondContact N-O 2.53Å; I141-C184 PolarHBondContact O-N 3.37Å; I141-L186 HydrophobicContact CD1-CD1 3.6Å; I141-L186 HydrophobicContact CD1-CG 4.44Å
142	Q	94.1	Very high	85.7	Confident	60 Å²	60	67.2 Å²	67.2	28%	0.28	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	118.9	161.1	-176.8	64.1	9.2	0	0	107.6	P144 C182 T183	Q142-P144 WeakPolarHBondContact O-CD 3.47Å; Q142-C182 PolarHBondContact OE1-O 3.23Å; Q142-T183 PolarHBondContact OE1-OG1 2.79Å
143	V	93.2	Very high	86.8	Confident	4 Å²	4	64 Å²	64	2%	0.024	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-92.7	118	-171.4	-169.2	0	0	0	0	109.5	V126 I141 L145 L148 C182 C184	V126-V143 HydrophobicContact CG2-CG1 4.12Å; V126-V143 HydrophobicContact CG2-CG2 3.52Å; I141-V143 HydrophobicContact CG2-CG2 4.29Å; I141-V143 PolarHBondContact O-N 3.26Å; V143-L145 PolarHBondContact O-N 2.89Å; V143-L148 HydrophobicContact CB-CD1 4.22Å; V143-L148 HydrophobicContact CG1-CD1 3.79Å; V143-L148 HydrophobicContact CG1-CD2 3.88Å; V143-L148 HydrophobicContact CG1-CG 3.69Å; V143-C182 HydrophobicContact CB-CB 4.19Å; V143-C182 HydrophobicContact CG2-CB 4.49Å; V143-C182 PolarHBondContact N-O 3.24Å; V143-C184 HydrophobicContact CG2-CB 4.34Å
144	P	92	Very high	88	Confident	56 Å²	56	68.3 Å²	68.3	36%	0.364	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-61.1	129.2	174.5	-24.5	37.2	0	0	0	111.1	Q142 N146 E147	Q142-P144 WeakPolarHBondContact O-CD 3.47Å; P144-N146 WeakPolarHBondContact CB-OD1 3.38Å; P144-N146 PolarHBondContact O-N 3Å; P144-E147 HydrophobicContact CB-CG 4.17Å; P144-E147 WeakPolarHBondContact CG-OE1 3.39Å; P144-E147 WeakPolarHBondContact O-CB 3.47Å; P144-E147 PolarHBondContact O-N 3.3Å
145	L	91.8	Very high	89.4	Confident	70 Å²	70	64.8 Å²	64.8	37%	0.366	34%	0.338	S	S	.	.	H	α-helix	trans	-64.8	-26.4	-173.3	-61.2	-174.5	0	0	0	113.5	V143 E147 L148 S149 L179	V143-L145 PolarHBondContact O-N 2.89Å; L145-E147 VanDerWaalsContact C-N 3.28Å; L145-E147 PolarHBondContact O-N 3.43Å; L145-L148 HydrophobicContact CD2-CD1 4.27Å; L145-L148 PolarHBondContact O-N 3.35Å; L145-S149 PolarHBondContact O-N 3.06Å; L145-L179 WeakPolarHBondContact CD1-O 3.3Å; L145-L179 HydrophobicContact CD2-CD2 3.92Å; L145-L179 HydrophobicContact CD2-CG 3.87Å
146	N	89.3	Confident	90.3	Very high	120 Å²	120	63.7 Å²	63.7	64%	0.642	34%	0.337	S	S	*	.	H	α-helix	trans	-63.6	-33.5	174.1	60.9	-27.7	0	0	0	112.1	P144 L148 S149	P144-N146 WeakPolarHBondContact CB-OD1 3.38Å; P144-N146 PolarHBondContact O-N 3Å; N146-L148 VanDerWaalsContact C-N 3.25Å; N146-L148 PolarHBondContact O-N 2.91Å; N146-S149 PolarHBondContact O-N 3.34Å; N146-S149 PolarHBondContact O-OG 3.28Å
147	E	89	Confident	91	Very high	102 Å²	102	64.4 Å²	64.4	48%	0.477	36%	0.355	S	S	.	.	H	α-helix	trans	-69	-25.8	175.2	-64.6	-178.6	-158.9	0	0	112.3	P144 L145	P144-E147 HydrophobicContact CB-CG 4.17Å; P144-E147 WeakPolarHBondContact CG-OE1 3.39Å; P144-E147 WeakPolarHBondContact O-CB 3.47Å; P144-E147 PolarHBondContact O-N 3.3Å; L145-E147 VanDerWaalsContact C-N 3.28Å; L145-E147 PolarHBondContact O-N 3.43Å
148	L	92	Very high	91.4	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.005	35%	0.351	C	S	.	.	H	α-helix	trans	-87.4	-18.3	179.7	-65.6	173.1	0	0	0	113.2	C122 T125 V143 L145 N146 T150 A151 L162 L179 C182	C122-L148 HydrophobicContact CB-CD1 4.43Å; C122-L148 HydrophobicContact CB-CD2 4.13Å; C122-L148 VanDerWaalsContact SG-CD1 3.57Å; T125-L148 HydrophobicContact CG2-CD2 4.14Å; V143-L148 HydrophobicContact CB-CD1 4.22Å; V143-L148 HydrophobicContact CG1-CD1 3.79Å; V143-L148 HydrophobicContact CG1-CD2 3.88Å; V143-L148 HydrophobicContact CG1-CG 3.69Å; L145-L148 HydrophobicContact CD2-CD1 4.27Å; L145-L148 PolarHBondContact O-N 3.35Å; N146-L148 VanDerWaalsContact C-N 3.25Å; N146-L148 PolarHBondContact O-N 2.91Å; L148-T150 PolarHBondContact O-N 3.23Å; L148-T150 VanDerWaalsContact O-N 3.11Å; L148-A151 WeakPolarHBondContact O-CB 3.37Å; L148-A151 PolarHBondContact O-N 3.13Å; L148-L162 HydrophobicContact CB-CD2 3.82Å; L148-L162 WeakPolarHBondContact O-CB 3.26Å; L148-L162 VanDerWaalsContact O-CD2 3.29Å; L148-L162 WeakPolarHBondContact O-CD2 3.23Å; L148-L179 HydrophobicContact CD1-CD2 3.81Å; L148-C182 HydrophobicContact CD1-CB 3.86Å
149	S	82.1	Confident	91.5	Very high	42 Å²	42	66.5 Å²	66.5	29%	0.294	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-36.8	-173.2	62.7	0	0	0	0	113.6	L145 N146 D163	L145-S149 PolarHBondContact O-N 3.06Å; N146-S149 PolarHBondContact O-N 3.34Å; N146-S149 PolarHBondContact O-OG 3.28Å; S149-D163 WeakPolarHBondContact O-CB 3.21Å; S149-D163 PolarHBondContact O-N 2.93Å
150	T	86.7	Confident	91.6	Very high	78 Å²	78	63.8 Å²	63.8	48%	0.479	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	3.1	-179.5	58.9	0	0	0	0	113.8	L148 I152	L148-T150 PolarHBondContact O-N 3.23Å; L148-T150 VanDerWaalsContact O-N 3.11Å; T150-I152 PolarHBondContact O-N 2.91Å
151	A	94.2	Very high	91.7	Very high	7 Å²	7	64.1 Å²	64.1	6%	0.058	36%	0.357	C	S	.	.			trans	-57.6	138.9	177.6	0	0	0	0	0	110.5	T125 L148 R161 L162	T125-A151 VanDerWaalsContact OG1-CB 3.26Å; T125-A151 WeakPolarHBondContact OG1-CB 3.04Å; L148-A151 WeakPolarHBondContact O-CB 3.37Å; L148-A151 PolarHBondContact O-N 3.13Å; A151-R161 CarbonylContact O-C 3.57Å; A151-R161 WeakPolarHBondContact O-CA 3.15Å; A151-L162 HydrophobicContact CB-CB 4.4Å; A151-L162 PolarHBondContact O-N 2.92Å
152	I	96	Very high	91.8	Very high	105 Å²	105	62.8 Å²	62.8	54%	0.538	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	129.9	175.2	-57.9	-57.4	0	0	0	108.8	T150 S160 R161	T150-I152 PolarHBondContact O-N 2.91Å; I152-S160 WeakPolarHBondContact CA-O 3.37Å; I152-R161 HydrophobicContact CD1-CG 4.45Å
153	V	96.1	Very high	91.8	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.006	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	130.1	179.3	-168	0	0	0	0	108.8	A117 A121 H155 S159 S160 L162 L165	A117-V153 HydrophobicContact CB-CG1 3.78Å; A121-V153 HydrophobicContact CB-CB 4.14Å; A121-V153 HydrophobicContact CB-CG1 4.08Å; A121-V153 HydrophobicContact CB-CG2 3.6Å; V153-H155 HydrophobicContact CG1-CB 4.47Å; V153-S159 WeakPolarHBondContact O-CA 3.37Å; V153-S160 PolarHBondContact N-O 3.23Å; V153-S160 PolarHBondContact O-N 2.66Å; V153-L162 HydrophobicContact CG2-CB 3.68Å; V153-L162 HydrophobicContact CG2-CD1 3.77Å; V153-L162 HydrophobicContact CG2-CG 4.32Å; V153-L165 HydrophobicContact CB-CD2 3.99Å; V153-L165 HydrophobicContact CG1-CD2 3.6Å; V153-L165 HydrophobicContact CG2-CD2 4.36Å
154	E	94.9	Very high	91.9	Very high	118 Å²	118	62.4 Å²	62.4	55%	0.551	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.2	115.4	166.2	-66.2	-60.9	151.2	0	0	109.2	S159	E154-S159 WeakPolarHBondContact OE1-CB 3.44Å; E154-S159 PolarHBondContact OE1-OG 3.18Å; E154-S159 PolarHBondContact OE2-OG 3.09Å
155	H	93.2	Very high	92.1	Very high	47 Å²	47	60.3 Å²	60.3	22%	0.218	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	130.5	179.1	-175.1	73.8	0	0	0	110.7	A117 V153 G157 K158 L165	A117-H155 HydrophobicContact CB-CB 4.03Å; V153-H155 HydrophobicContact CG1-CB 4.47Å; H155-G157 PolarHBondContact O-N 3.25Å; H155-K158 PolarHBondContact N-O 3.49Å; H155-K158 PolarHBondContact O-N 3.05Å; H155-L165 HydrophobicContact CB-CD1 4.19Å; H155-L165 HydrophobicContact CB-CD2 3.98Å
156	D	87.6	Confident	92.4	Very high	134 Å²	134	58.3 Å²	58.3	72%	0.717	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	40.3	-179.5	-164.6	35.1	0	0	0	113.4	K158	D156-K158 PolarHBondContact O-N 2.81Å
157	G	86.6	Confident	92.7	Very high	83 Å²	83	52.7 Å²	52.7	86%	0.856	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	16.5	-179.6	0	0	0	0	0	114.7	H155	H155-G157 PolarHBondContact O-N 3.25Å
158	K	88.7	Confident	92.9	Very high	80 Å²	80	49.5 Å²	49.5	35%	0.348	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	140.7	177.8	-61.9	176	-173.3	170.8	0	110.7	H155 D156	H155-K158 PolarHBondContact N-O 3.49Å; H155-K158 PolarHBondContact O-N 3.05Å; D156-K158 PolarHBondContact O-N 2.81Å
159	S	94	Very high	93.1	Very high	77 Å²	77	50 Å²	50	54%	0.538	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	129.5	168.3	-33.7	0	0	0	0	109.9	V153 E154	V153-S159 WeakPolarHBondContact O-CA 3.37Å; E154-S159 WeakPolarHBondContact OE1-CB 3.44Å; E154-S159 PolarHBondContact OE1-OG 3.18Å; E154-S159 PolarHBondContact OE2-OG 3.09Å
160	S	94.1	Very high	93.8	Very high	29 Å²	29	48.1 Å²	48.1	20%	0.203	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	170.7	170.8	66.6	0	0	0	0	111.2	I152 V153	I152-S160 WeakPolarHBondContact CA-O 3.37Å; V153-S160 PolarHBondContact N-O 3.23Å; V153-S160 PolarHBondContact O-N 2.66Å
161	R	95.3	Very high	94.2	Very high	101 Å²	101	45.6 Å²	45.6	38%	0.381	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	150.3	166.5	-64.7	166.2	55.1	133.9	-1.6	110.2	A151 I152 D163 D164 L165	A151-R161 CarbonylContact O-C 3.57Å; A151-R161 WeakPolarHBondContact O-CA 3.15Å; I152-R161 HydrophobicContact CD1-CG 4.45Å; R161-D163 VanDerWaalsContact C-N 3.34Å; R161-D163 WeakPolarHBondContact CB-OD1 2.98Å; R161-D163 IonicContact CZ-OD1 3.7Å; R161-D163 IonicContact CZ-OD2 3.52Å; R161-D163 IonicContact NE-OD1 3.77Å; R161-D163 PolarHBondContact NE-OD1 3Å; R161-D163 IonicContact NE-OD2 3.76Å; R161-D163 IonicContact NH2-OD1 3.51Å; R161-D163 IonicContact NH2-OD2 2.72Å; R161-D163 PolarHBondContact NH2-OD2 2.88Å; R161-D163 PolarHBondContact O-N 2.85Å; R161-D164 HydrophobicContact CB-CB 4.29Å; R161-D164 PolarHBondContact O-N 3.42Å; R161-L165 PolarHBondContact O-N 3.49Å
162	L	96.4	Very high	94.1	Very high	4 Å²	4	50.4 Å²	50.4	2%	0.021	29%	0.288	C	S	.	.	H	α-helix	trans	-60	-44.4	178	175.7	61.8	0	0	0	112	I118 L148 A151 V153 L165 I166 L179	I118-L162 HydrophobicContact CB-CD1 4.27Å; I118-L162 HydrophobicContact CD1-CD1 4.18Å; I118-L162 HydrophobicContact CG1-CD1 3.63Å; I118-L162 HydrophobicContact CG2-CD1 4.04Å; L148-L162 HydrophobicContact CB-CD2 3.82Å; L148-L162 WeakPolarHBondContact O-CB 3.26Å; L148-L162 VanDerWaalsContact O-CD2 3.29Å; L148-L162 WeakPolarHBondContact O-CD2 3.23Å; A151-L162 HydrophobicContact CB-CB 4.4Å; A151-L162 PolarHBondContact O-N 2.92Å; V153-L162 HydrophobicContact CG2-CB 3.68Å; V153-L162 HydrophobicContact CG2-CD1 3.77Å; V153-L162 HydrophobicContact CG2-CG 4.32Å; L162-L165 WeakPolarHBondContact O-CB 3.25Å; L162-L165 PolarHBondContact O-N 3.11Å; L162-I166 HydrophobicContact CD1-CD1 3.99Å; L162-I166 HydrophobicContact CD1-CG1 4.26Å; L162-I166 HydrophobicContact CG-CD1 4Å; L162-I166 WeakPolarHBondContact O-CG1 3.25Å; L162-I166 PolarHBondContact O-N 2.96Å; L162-L179 HydrophobicContact CD2-CD2 3.97Å
163	D	95.6	Very high	94.1	Very high	25 Å²	25	47.6 Å²	47.6	13%	0.134	27%	0.272	C	S	.	.	H	α-helix	trans	-63.9	-42.1	179.8	60.2	-3.6	0	0	0	112.6	W68 S149 R161 L165 I166 A167	W68-D163 HydrophobicContact CH2-CB 3.73Å; W68-D163 HydrophobicContact CZ2-CB 3.62Å; S149-D163 WeakPolarHBondContact O-CB 3.21Å; S149-D163 PolarHBondContact O-N 2.93Å; R161-D163 VanDerWaalsContact C-N 3.34Å; R161-D163 WeakPolarHBondContact CB-OD1 2.98Å; R161-D163 IonicContact CZ-OD1 3.7Å; R161-D163 IonicContact CZ-OD2 3.52Å; R161-D163 IonicContact NE-OD1 3.77Å; R161-D163 PolarHBondContact NE-OD1 3Å; R161-D163 IonicContact NE-OD2 3.76Å; R161-D163 IonicContact NH2-OD1 3.51Å; R161-D163 IonicContact NH2-OD2 2.72Å; R161-D163 PolarHBondContact NH2-OD2 2.88Å; R161-D163 PolarHBondContact O-N 2.85Å; D163-L165 VanDerWaalsContact C-N 3.35Å; D163-L165 PolarHBondContact O-N 2.96Å; D163-I166 PolarHBondContact O-N 2.97Å; D163-A167 WeakPolarHBondContact O-CB 3.29Å; D163-A167 PolarHBondContact O-N 3.09Å
164	D	95.3	Very high	94	Very high	30 Å²	30	48.8 Å²	48.8	16%	0.16	29%	0.285	C	S	.	.	H	α-helix	trans	-60.7	-42.4	171.6	-73.9	-29	0	0	0	111.9	I64 W68 R161 A167 L168	I64-D164 HydrophobicContact CG2-CB 4.47Å; I64-D164 VanDerWaalsContact CG2-OD1 3.29Å; I64-D164 WeakPolarHBondContact CG2-OD1 3.45Å; W68-D164 PolarHBondContact NE1-OD1 3.41Å; R161-D164 HydrophobicContact CB-CB 4.29Å; R161-D164 PolarHBondContact O-N 3.42Å; D164-A167 PolarHBondContact O-N 3.45Å; D164-L168 WeakPolarHBondContact O-CB 3.27Å; D164-L168 VanDerWaalsContact O-CG 3.25Å; D164-L168 WeakPolarHBondContact O-CG 3.06Å; D164-L168 PolarHBondContact O-N 2.8Å
165	L	96.1	Very high	94.1	Very high	12 Å²	12	44.9 Å²	44.9	6%	0.063	27%	0.266	C	S	.	.	H	α-helix	trans	-63.6	-43.4	177.8	178.9	63.1	0	0	0	111.8	L114 V153 H155 R161 L162 D163 L168 S169	L114-L165 HydrophobicContact CD1-CD1 4.17Å; L114-L165 HydrophobicContact CD1-CD2 3.69Å; L114-L165 HydrophobicContact CD1-CG 3.66Å; V153-L165 HydrophobicContact CB-CD2 3.99Å; V153-L165 HydrophobicContact CG1-CD2 3.6Å; V153-L165 HydrophobicContact CG2-CD2 4.36Å; H155-L165 HydrophobicContact CB-CD1 4.19Å; H155-L165 HydrophobicContact CB-CD2 3.98Å; R161-L165 PolarHBondContact O-N 3.49Å; L162-L165 WeakPolarHBondContact O-CB 3.25Å; L162-L165 PolarHBondContact O-N 3.11Å; D163-L165 VanDerWaalsContact C-N 3.35Å; D163-L165 PolarHBondContact O-N 2.96Å; L165-L168 PolarHBondContact O-N 3.45Å; L165-S169 VanDerWaalsContact O-CB 3.3Å; L165-S169 WeakPolarHBondContact O-CB 3.37Å; L165-S169 PolarHBondContact O-N 3.39Å; L165-S169 PolarHBondContact O-OG 3.45Å
166	I	96.4	Very high	94.3	Very high	28 Å²	28	44.9 Å²	44.9	14%	0.144	27%	0.266	C	S	.	.	H	α-helix	trans	-64.6	-41.8	176.4	-69.2	170.9	0	0	0	110.5	I118 L162 D163 S169 T170 V177 L179	I118-I166 HydrophobicContact CD1-CD1 4.47Å; I118-I166 HydrophobicContact CD1-CG1 4.18Å; L162-I166 HydrophobicContact CD1-CD1 3.99Å; L162-I166 HydrophobicContact CD1-CG1 4.26Å; L162-I166 HydrophobicContact CG-CD1 4Å; L162-I166 WeakPolarHBondContact O-CG1 3.25Å; L162-I166 PolarHBondContact O-N 2.96Å; D163-I166 PolarHBondContact O-N 2.97Å; I166-S169 PolarHBondContact O-N 3Å; I166-T170 WeakPolarHBondContact O-CB 3.46Å; I166-T170 PolarHBondContact O-N 3.06Å; I166-T170 PolarHBondContact O-OG1 3.02Å; I166-V177 HydrophobicContact CG2-CG1 4.46Å; I166-V177 VanDerWaalsContact CG2-O 3.24Å; I166-V177 WeakPolarHBondContact CG2-O 3.49Å; I166-L179 HydrophobicContact CD1-CB 4Å
167	A	95.6	Very high	94.8	Very high	2 Å²	2	38.9 Å²	38.9	2%	0.017	23%	0.234	C	C	.	.	H	α-helix	trans	-64.4	-44.1	177.3	0	0	0	0	0	112	G67 W68 D163 D164 S169 T170 A171	G67-A167 VanDerWaalsContact CA-O 3.31Å; G67-A167 WeakPolarHBondContact CA-O 3.29Å; W68-A167 HydrophobicContact CD2-CB 3.95Å; W68-A167 HydrophobicContact CG-CB 3.98Å; D163-A167 WeakPolarHBondContact O-CB 3.29Å; D163-A167 PolarHBondContact O-N 3.09Å; D164-A167 PolarHBondContact O-N 3.45Å; A167-S169 VanDerWaalsContact C-N 3.34Å; A167-T170 WeakPolarHBondContact O-CB 3.22Å; A167-T170 PolarHBondContact O-N 2.75Å; A167-A171 PolarHBondContact O-N 2.64Å
168	L	95	Very high	95.2	Very high	35 Å²	35	36.5 Å²	36.5	18%	0.183	20%	0.204	C	C	.	.	H	α-helix	trans	-61.9	-42	174.1	-76.5	169.4	0	0	0	111.9	A63 I64 D164 L165 A171 T172	A63-L168 VanDerWaalsContact C-CD2 3.45Å; A63-L168 HydrophobicContact CB-CD2 3.69Å; A63-L168 WeakPolarHBondContact O-CD2 3.3Å; I64-L168 HydrophobicContact CG1-CD1 4.01Å; I64-L168 HydrophobicContact CG1-CD2 4.18Å; I64-L168 HydrophobicContact CG1-CG 4.21Å; D164-L168 WeakPolarHBondContact O-CB 3.27Å; D164-L168 VanDerWaalsContact O-CG 3.25Å; D164-L168 WeakPolarHBondContact O-CG 3.06Å; D164-L168 PolarHBondContact O-N 2.8Å; L165-L168 PolarHBondContact O-N 3.45Å; L168-A171 WeakPolarHBondContact O-CB 3.45Å; L168-A171 PolarHBondContact O-N 3.23Å; L168-T172 WeakPolarHBondContact O-CB 3.39Å; L168-T172 PolarHBondContact O-N 2.96Å; L168-T172 PolarHBondContact O-OG1 3.48Å
169	S	96	Very high	95.6	Very high	12 Å²	12	33.5 Å²	33.5	8%	0.084	19%	0.191	C	C	.	.	H	α-helix	trans	-63.6	-45.2	176.9	-61.6	0	0	0	0	111.1	L114 L165 I166 A167 A171 T172 F173	L114-S169 WeakPolarHBondContact CD1-OG 3.36Å; L114-S169 WeakPolarHBondContact CD2-OG 3.04Å; L165-S169 VanDerWaalsContact O-CB 3.3Å; L165-S169 WeakPolarHBondContact O-CB 3.37Å; L165-S169 PolarHBondContact O-N 3.39Å; L165-S169 PolarHBondContact O-OG 3.45Å; I166-S169 PolarHBondContact O-N 3Å; A167-S169 VanDerWaalsContact C-N 3.34Å; S169-A171 VanDerWaalsContact C-N 3.27Å; S169-A171 PolarHBondContact O-N 3.2Å; S169-T172 PolarHBondContact O-N 3.33Å; S169-T172 VanDerWaalsContact O-N 3.09Å; S169-F173 WeakPolarHBondContact O-CD2 3.01Å; S169-F173 PolarHBondContact O-N 3.39Å
170	T	96.5	Very high	95.7	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.012	18%	0.176	C	C	.	.	H	α-helix	trans	-57.2	-41.5	173.3	-63.6	0	0	0	0	111.6	A71 L74 I166 A167 G174 E175 V177	A71-T170 HydrophobicContact CB-CG2 4.05Å; L74-T170 HydrophobicContact CD1-CG2 3.85Å; I166-T170 WeakPolarHBondContact O-CB 3.46Å; I166-T170 PolarHBondContact O-N 3.06Å; I166-T170 PolarHBondContact O-OG1 3.02Å; A167-T170 WeakPolarHBondContact O-CB 3.22Å; A167-T170 PolarHBondContact O-N 2.75Å; T170-G174 WeakPolarHBondContact O-CA 3.5Å; T170-G174 PolarHBondContact O-N 2.79Å; T170-E175 WeakPolarHBondContact CA-O 3.16Å; T170-E175 WeakPolarHBondContact CG2-O 3.26Å; T170-V177 PolarHBondContact OG1-N 3.38Å
171	A	94.2	Very high	95.9	Very high	26 Å²	26	31 Å²	31	22%	0.215	17%	0.167	C	C	.	.	H	α-helix	trans	-62	-45.6	175.6	0	0	0	0	0	112.1	K70 A167 L168 S169	K70-A171 PolarHBondContact NZ-O 3.24Å; A167-A171 PolarHBondContact O-N 2.64Å; L168-A171 WeakPolarHBondContact O-CB 3.45Å; L168-A171 PolarHBondContact O-N 3.23Å; S169-A171 VanDerWaalsContact C-N 3.27Å; S169-A171 PolarHBondContact O-N 3.2Å
172	T	93.3	Very high	95.9	Very high	108 Å²	108	26.1 Å²	26.1	66%	0.663	15%	0.149	S	C	*	.	H	α-helix	trans	-68	-49.3	-174.7	-59.4	0	0	0	0	112	L168 S169	L168-T172 WeakPolarHBondContact O-CB 3.39Å; L168-T172 PolarHBondContact O-N 2.96Å; L168-T172 PolarHBondContact O-OG1 3.48Å; S169-T172 PolarHBondContact O-N 3.33Å; S169-T172 VanDerWaalsContact O-N 3.09Å
173	F	95.1	Very high	96	Very high	46 Å²	46	26.2 Å²	26.2	20%	0.202	15%	0.149	C	C	.	.	H	α-helix	trans	-74.8	-29	178.1	-62.4	-58.3	0	0	0	112.4	V105 N110 F111 L114 S169 E175 V177	V105-F173 HydrophobicContact CG1-CB 4.16Å; V105-F173 HydrophobicContact CG1-CD1 3.7Å; V105-F173 HydrophobicContact CG1-CD2 4.05Å; V105-F173 HydrophobicContact CG1-CE1 4.05Å; V105-F173 HydrophobicContact CG1-CE2 4.37Å; V105-F173 HydrophobicContact CG1-CG 3.7Å; V105-F173 HydrophobicContact CG1-CZ 4.37Å; V105-F173 HydrophobicContact CG2-CB 4.24Å; V105-F173 HydrophobicContact CG2-CD1 4.38Å; N110-F173 HydrophobicContact CB-CE1 4.23Å; N110-F173 HydrophobicContact CB-CZ 4.13Å; F111-F173 HydrophobicContact CB-CZ 4.03Å; F111-F173 HydrophobicContact CD2-CD2 4.48Å; F111-F173 AromaticContact CD2-CE2 3.86Å; F111-F173 HydrophobicContact CD2-CE2 3.86Å; F111-F173 HydrophobicContact CD2-CZ 4.1Å; L114-F173 HydrophobicContact CD2-CE2 4.2Å; S169-F173 WeakPolarHBondContact O-CD2 3.01Å; S169-F173 PolarHBondContact O-N 3.39Å; F173-E175 VanDerWaalsContact C-N 3.26Å; F173-V177 HydrophobicContact CD2-CG2 3.8Å; F173-V177 HydrophobicContact CE2-CG2 4.44Å
174	G	94.9	Very high	96	Very high	26 Å²	26	25 Å²	25	27%	0.268	14%	0.143	S	C	.	.	S	Bend	trans	79.3	10.9	-175.8	0	0	0	0	0	114.7	T170	T170-G174 WeakPolarHBondContact O-CA 3.5Å; T170-G174 PolarHBondContact O-N 2.79Å
175	E	96.4	Very high	96	Very high	35 Å²	35	23.7 Å²	23.7	16%	0.164	14%	0.136	C	C	.	.	S	Bend	trans	-128.3	153.7	179.2	-66	-179.3	-170.6	0	0	108.7	E101 T102 V105 T170 F173 V177	E101-E175 HydrophobicContact CB-CB 4.01Å; E101-E175 HydrophobicContact CB-CG 4.18Å; E101-E175 HydrophobicContact CG-CB 3.95Å; E101-E175 HydrophobicContact CG-CG 4.49Å; T102-E175 VanDerWaalsContact CG2-OE1 3.25Å; T102-E175 WeakPolarHBondContact CG2-OE1 3.45Å; T102-E175 PolarHBondContact N-OE2 3.44Å; T102-E175 PolarHBondContact OG1-OE1 3.06Å; T102-E175 PolarHBondContact OG1-OE2 2.94Å; V105-E175 WeakPolarHBondContact CG2-OE2 3.26Å; T170-E175 WeakPolarHBondContact CA-O 3.16Å; T170-E175 WeakPolarHBondContact CG2-O 3.26Å; F173-E175 VanDerWaalsContact C-N 3.26Å; E175-V177 PolarHBondContact O-N 2.96Å
176	K	97.5	Very high	95.9	Very high	48 Å²	48	23.3 Å²	23.3	21%	0.209	13%	0.134	C	C	.	.			trans	-55.3	126.9	171.9	178.9	178.6	174.2	174.1	0	109.4	L74 A75 R77 A79 C100 E101	L74-K176 HydrophobicContact CB-CB 4.22Å; A75-K176 WeakPolarHBondContact O-CE 3.44Å; A75-K176 PolarHBondContact O-NZ 3.49Å; R77-K176 HydrophobicContact CB-CD 4.45Å; R77-K176 WeakPolarHBondContact O-CD 3.43Å; R77-K176 PolarHBondContact O-NZ 3.06Å; A79-K176 HydrophobicContact CB-CD 4.04Å; A79-K176 HydrophobicContact CB-CG 4.22Å; C100-K176 VanDerWaalsContact CA-O 3.29Å; C100-K176 WeakPolarHBondContact CA-O 3.28Å; E101-K176 HydrophobicContact CG-CB 3.99Å; E101-K176 WeakPolarHBondContact OE1-CB 3.43Å; E101-K176 PolarHBondContact OE1-N 3.07Å
177	V	97.8	Very high	95.7	Very high	7 Å²	7	22 Å²	22	4%	0.042	13%	0.127	C	C	.	.			trans	-119	136.6	166.8	179.2	0	0	0	0	108.4	V98 N99 C100 F111 L114 I166 T170 F173 E175	V98-V177 HydrophobicContact CG1-CG1 4.09Å; N99-V177 WeakPolarHBondContact O-CA 3.21Å; C100-V177 HydrophobicContact CB-CG2 4.5Å; F111-V177 HydrophobicContact CE2-CG1 4.1Å; F111-V177 HydrophobicContact CE2-CG2 4.31Å; L114-V177 HydrophobicContact CD2-CG1 4.01Å; I166-V177 HydrophobicContact CG2-CG1 4.46Å; I166-V177 VanDerWaalsContact CG2-O 3.24Å; I166-V177 WeakPolarHBondContact CG2-O 3.49Å; T170-V177 PolarHBondContact OG1-N 3.38Å; F173-V177 HydrophobicContact CD2-CG2 3.8Å; F173-V177 HydrophobicContact CE2-CG2 4.44Å; E175-V177 PolarHBondContact O-N 2.96Å
178	C	96.1	Very high	95.4	Very high	34 Å²	34	22.3 Å²	22.3	23%	0.23	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	142.2	175.9	55.1	0	0	0	0	112	V98 N99 K180	V98-C178 CarbonylContact C-O 3.51Å; V98-C178 WeakPolarHBondContact CA-O 3.18Å; N99-C178 PolarHBondContact N-O 2.84Å; N99-C178 PolarHBondContact O-N 2.74Å; C178-K180 PolarHBondContact O-N 2.96Å
179	L	96.9	Very high	95	Very high	17 Å²	17	26.8 Å²	26.8	9%	0.089	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	116.3	159.7	173.4	61.5	0	0	0	107.5	V96 V98 I118 L145 L148 L162 I166 R181	V96-L179 HydrophobicContact CB-CD1 3.98Å; V96-L179 HydrophobicContact CG1-CD1 4.34Å; V98-L179 HydrophobicContact CG2-CD1 4.07Å; I118-L179 HydrophobicContact CG2-CD1 3.95Å; I118-L179 HydrophobicContact CG2-CD2 4.05Å; I118-L179 HydrophobicContact CG2-CG 4.45Å; L145-L179 WeakPolarHBondContact CD1-O 3.3Å; L145-L179 HydrophobicContact CD2-CD2 3.92Å; L145-L179 HydrophobicContact CD2-CG 3.87Å; L148-L179 HydrophobicContact CD1-CD2 3.81Å; L162-L179 HydrophobicContact CD2-CD2 3.97Å; I166-L179 HydrophobicContact CD1-CB 4Å; L179-R181 WeakPolarHBondContact CD1-O 3.5Å
180	K	95.9	Very high	94.6	Very high	47 Å²	47	29.8 Å²	29.8	20%	0.204	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-38.6	-175.7	178.1	176.9	165	-160.1	0	112.8	E97 N99 C178 D330 E331 L333	E97-K180 HydrophobicContact CB-CB 4.47Å; E97-K180 HydrophobicContact CG-CB 4.41Å; E97-K180 HydrophobicContact CG-CD 4.44Å; E97-K180 PolarHBondContact O-N 2.71Å; E97-K180 WeakPolarHBondContact OE1-CD 3.49Å; E97-K180 IonicContact OE1-NZ 3.19Å; E97-K180 PolarHBondContact OE1-NZ 3.12Å; E97-K180 IonicContact OE2-NZ 3.58Å; N99-K180 WeakPolarHBondContact OD1-CB 3.46Å; N99-K180 VanDerWaalsContact OD1-CD 3.3Å; N99-K180 WeakPolarHBondContact OD1-CD 3.19Å; C178-K180 PolarHBondContact O-N 2.96Å; K180-D330 IonicContact NZ-OD1 3.7Å; K180-E331 PolarHBondContact NZ-O 3.29Å; K180-L333 HydrophobicContact CG-CD1 4.43Å
181	R	96.7	Very high	94.3	Very high	5 Å²	5	30.3 Å²	30.3	2%	0.019	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	154.6	177.6	54.4	-177.3	-179.9	169.8	-2.2	111.7	V96 E97 L179 F327 S328 E331 L333 E337	V96-R181 WeakPolarHBondContact CA-O 3.5Å; E97-R181 HydrophobicContact CB-CG 3.65Å; E97-R181 PolarHBondContact N-O 3.28Å; E97-R181 IonicContact OE2-CZ 3.85Å; E97-R181 IonicContact OE2-NE 3.72Å; E97-R181 PolarHBondContact OE2-NE 2.93Å; E97-R181 IonicContact OE2-NH2 2.76Å; E97-R181 PolarHBondContact OE2-NH2 2.9Å; L179-R181 WeakPolarHBondContact CD1-O 3.5Å; R181-F327 HydrophobicContact CB-CE2 4.43Å; R181-F327 HydrophobicContact CB-CZ 4.3Å; R181-F327 HydrophobicContact CG-CD2 4.18Å; R181-F327 HydrophobicContact CG-CE1 4.44Å; R181-F327 HydrophobicContact CG-CE2 3.63Å; R181-F327 HydrophobicContact CG-CZ 3.78Å; R181-F327 VanDerWaalsContact CZ-CD1 3.42Å; R181-S328 PolarHBondContact NH2-O 3.05Å; R181-E331 IonicContact CZ-OE2 3.44Å; R181-E331 IonicContact NH1-OE2 2.75Å; R181-E331 IonicContact NH2-OE2 3.06Å; R181-E331 PolarHBondContact NH2-OE2 2.87Å; R181-L333 HydrophobicContact CB-CD2 4.25Å; R181-L333 HydrophobicContact CG-CD2 4.34Å; R181-E337 IonicContact NH1-OE2 3.43Å
182	C	97	Very high	94.2	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	126.7	175.2	172.8	0	0	0	0	109.4	L95 V96 C122 Q142 V143 L148	L95-C182 WeakPolarHBondContact O-CA 3.23Å; V96-C182 HydrophobicContact CG1-CB 4.02Å; C122-C182 VanDerWaalsContact CB-SG 3.51Å; Q142-C182 PolarHBondContact OE1-O 3.23Å; V143-C182 HydrophobicContact CB-CB 4.19Å; V143-C182 HydrophobicContact CG2-CB 4.49Å; V143-C182 PolarHBondContact N-O 3.24Å; L148-C182 HydrophobicContact CD1-CB 3.86Å
183	T	97.1	Very high	94.3	Very high	5 Å²	5	29.5 Å²	29.5	3%	0.031	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	134.9	167.5	-46.9	0	0	0	0	108.5	L95 K140 I141 Q142 V325 F327	L95-T183 PolarHBondContact N-O 2.75Å; L95-T183 PolarHBondContact O-N 3.21Å; K140-T183 HydrophobicContact CD-CG2 4.2Å; K140-T183 HydrophobicContact CG-CG2 3.66Å; I141-T183 CarbonylContact O-C 3.53Å; I141-T183 WeakPolarHBondContact O-CA 3.37Å; Q142-T183 PolarHBondContact OE1-OG1 2.79Å; T183-V325 HydrophobicContact CG2-CG1 3.9Å; T183-V325 HydrophobicContact CG2-CG2 3.81Å; T183-F327 WeakPolarHBondContact OG1-CE1 3.36Å; T183-F327 WeakPolarHBondContact OG1-CZ 3.26Å
184	C	96.2	Very high	94.4	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.007	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	141.3	170.3	-71.2	0	0	0	0	110.8	G93 V126 K140 I141 V143	G93-C184 CarbonylContact O-C 3.5Å; G93-C184 WeakPolarHBondContact O-CA 3.42Å; V126-C184 HydrophobicContact CB-CB 4.24Å; V126-C184 HydrophobicContact CG1-CB 3.91Å; V126-C184 HydrophobicContact CG2-CB 4.16Å; K140-C184 CarbonylContact C-O 3.51Å; K140-C184 WeakPolarHBondContact CA-O 3.41Å; I141-C184 PolarHBondContact N-O 2.53Å; I141-C184 PolarHBondContact O-N 3.37Å; V143-C184 HydrophobicContact CG2-CB 4.34Å
185	L	95.7	Very high	94.5	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	120.4	170	-157	61.8	0	0	0	108.2	A92 G93 K140 L193 I215 A217 D323 V325	A92-L185 WeakPolarHBondContact CA-O 3.38Å; G93-L185 PolarHBondContact N-O 3.13Å; G93-L185 PolarHBondContact O-N 2.93Å; K140-L185 HydrophobicContact CB-CD1 3.75Å; K140-L185 HydrophobicContact CG-CD1 4.15Å; L185-L193 HydrophobicContact CB-CD2 4.29Å; L185-L193 HydrophobicContact CD2-CD2 3.88Å; L185-L193 HydrophobicContact CG-CD2 4.18Å; L185-I215 HydrophobicContact CB-CG2 4.28Å; L185-I215 HydrophobicContact CD2-CG2 4.03Å; L185-A217 HydrophobicContact CD2-CB 3.58Å; L185-A217 HydrophobicContact CG-CB 4.15Å; L185-D323 HydrophobicContact CD1-CB 4.02Å; L185-D323 HydrophobicContact CD2-CB 4.48Å; L185-V325 HydrophobicContact CD1-CG2 4.33Å
186	L	94.2	Very high	94.5	Very high	4 Å²	4	25.8 Å²	25.8	2%	0.021	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	134.7	-175.9	-66.2	-174.8	0	0	0	108.9	G91 A92 V126 Q130 L133 C138 K139 I141	G91-L186 CarbonylContact O-C 3.54Å; A92-L186 HydrophobicContact CB-CD2 3.59Å; V126-L186 HydrophobicContact CG1-CD1 3.88Å; V126-L186 HydrophobicContact CG1-CD2 4.18Å; V126-L186 HydrophobicContact CG1-CG 4.3Å; Q130-L186 HydrophobicContact CB-CD1 4.02Å; Q130-L186 HydrophobicContact CG-CD1 3.78Å; L133-L186 HydrophobicContact CD1-CB 3.5Å; L133-L186 HydrophobicContact CD1-CD1 3.97Å; L133-L186 HydrophobicContact CD1-CD2 4.01Å; L133-L186 HydrophobicContact CD1-CG 4.03Å; C138-L186 CarbonylContact C-O 3.54Å; C138-L186 VanDerWaalsContact CA-O 3.26Å; C138-L186 WeakPolarHBondContact CA-O 3.47Å; K139-L186 HydrophobicContact CB-CB 4.3Å; K139-L186 PolarHBondContact N-O 2.93Å; K139-L186 WeakPolarHBondContact O-CB 3.29Å; K139-L186 PolarHBondContact O-N 2.95Å; I141-L186 HydrophobicContact CD1-CD1 3.6Å; I141-L186 HydrophobicContact CD1-CG 4.44Å
187	T	92.5	Very high	94.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	156.9	-177.9	66.7	0	0	0	0	112.1	G91 L137 M191 L193 A217	G91-T187 PolarHBondContact O-N 3.35Å; G91-T187 PolarHBondContact O-OG1 3.28Å; L137-T187 CarbonylContact O-C 3.55Å; L137-T187 VanDerWaalsContact O-CA 3.27Å; L137-T187 WeakPolarHBondContact O-CA 3.4Å; T187-M191 HydrophobicContact CG2-CB 4.41Å; T187-M191 HydrophobicContact CG2-CE 4.4Å; T187-L193 HydrophobicContact CG2-CD1 4.35Å; T187-L193 HydrophobicContact CG2-CD2 3.62Å; T187-L193 HydrophobicContact CG2-CG 3.82Å; T187-A217 HydrophobicContact CG2-CB 3.53Å
188	S	89.3	Confident	94.5	Very high	10 Å²	10	27.5 Å²	27.5	7%	0.07	14%	0.139	C	C	.	.			trans	-71.4	168.3	167.4	54.7	0	0	0	0	112	L137 D190 M191	L137-S188 PolarHBondContact O-N 3.38Å; L137-S188 PolarHBondContact O-OG 2.93Å; S188-D190 VanDerWaalsContact CB-OD1 3.23Å; S188-D190 WeakPolarHBondContact CB-OD1 3.16Å; S188-D190 PolarHBondContact O-N 2.79Å; S188-D190 PolarHBondContact OG-OD1 2.86Å; S188-M191 PolarHBondContact O-N 2.87Å
189	N	84.9	Confident	94.5	Very high	128 Å²	128	29 Å²	29	68%	0.684	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-17.6	-173.7	-63.2	-6.9	0	0	0	114.1	H134 M191	H134-N189 PolarHBondContact CE1-OD1 2.79Å; H134-N189 VanDerWaalsContact CE1-OD1 3.25Å; H134-N189 PolarHBondContact ND1-OD1 2.8Å; H134-N189 VanDerWaalsContact ND1-OD1 3.14Å; N189-M191 VanDerWaalsContact C-N 3.32Å
190	D	87.5	Confident	94.2	Very high	75 Å²	75	34.4 Å²	34.4	40%	0.401	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	6.6	179.4	64.4	-39.4	0	0	0	113	S188 K219	S188-D190 VanDerWaalsContact CB-OD1 3.23Å; S188-D190 WeakPolarHBondContact CB-OD1 3.16Å; S188-D190 PolarHBondContact O-N 2.79Å; S188-D190 PolarHBondContact OG-OD1 2.86Å; D190-K219 VanDerWaalsContact OD2-CE 3.28Å; D190-K219 WeakPolarHBondContact OD2-CE 3.31Å; D190-K219 IonicContact OD2-NZ 3Å; D190-K219 PolarHBondContact OD2-NZ 2.93Å
191	M	91.2	Very high	93.7	Very high	14 Å²	14	34.1 Å²	34.1	7%	0.069	17%	0.174	C	C	.	.	S	Bend	trans	-117.1	156.1	-180	-68.4	-172.5	63.3	0	0	111.6	L137 C138 T187 S188 N189 A217 K219 F322	L137-M191 HydrophobicContact CB-SD 3.85Å; L137-M191 HydrophobicContact CD2-SD 4.27Å; C138-M191 HydrophobicContact CB-CE 4.11Å; C138-M191 HydrophobicContact CB-SD 4.43Å; T187-M191 HydrophobicContact CG2-CB 4.41Å; T187-M191 HydrophobicContact CG2-CE 4.4Å; S188-M191 PolarHBondContact O-N 2.87Å; N189-M191 VanDerWaalsContact C-N 3.32Å; M191-A217 HydrophobicContact CE-CB 4.03Å; M191-K219 HydrophobicContact CG-CB 4.23Å; M191-K219 HydrophobicContact CG-CD 4.29Å; M191-K219 HydrophobicContact CG-CG 4.44Å; M191-F322 HydrophobicContact CE-CB 3.5Å; M191-F322 VanDerWaalsContact CE-CB 3.5Å; M191-F322 HydrophobicContact CE-CD1 4.18Å; M191-F322 HydrophobicContact CE-CD2 3.46Å; M191-F322 VanDerWaalsContact CE-CD2 3.46Å; M191-F322 HydrophobicContact CE-CE2 4.27Å; M191-F322 HydrophobicContact CE-CG 3.41Å; M191-F322 VanDerWaalsContact CE-CG 3.41Å; M191-F322 HydrophobicContact SD-CD2 4.43Å; M191-F322 HydrophobicContact SD-CG 4.34Å
192	F	92.5	Very high	93.1	Very high	83 Å²	83	40.5 Å²	40.5	36%	0.364	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	143.8	176.7	-60.2	-74	0	0	0	110.7	A217 Y218 N220	F192-A217 WeakPolarHBondContact O-CA 3.27Å; F192-Y218 HydrophobicContact CB-CD1 3.96Å; F192-Y218 HydrophobicContact CB-CD2 4.25Å; F192-Y218 HydrophobicContact CB-CE1 3.49Å; F192-Y218 VanDerWaalsContact CB-CE1 3.49Å; F192-Y218 HydrophobicContact CB-CE2 3.8Å; F192-Y218 HydrophobicContact CB-CG 4.32Å; F192-Y218 HydrophobicContact CD2-CD2 4.37Å; F192-Y218 HydrophobicContact CD2-CE2 4.03Å; F192-Y218 HydrophobicContact CG-CE2 4.18Å; F192-Y218 PolarHBondContact N-O 3.14Å; F192-Y218 WeakPolarHBondContact O-CD1 3.5Å; F192-Y218 PolarHBondContact O-N 3.25Å; F192-N220 HydrophobicContact CE2-CB 4.04Å
193	L	95.5	Very high	92.4	Very high	33 Å²	33	44.8 Å²	44.8	17%	0.173	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	137.2	163.5	-76.3	175.2	0	0	0	109.3	G91 A92 L185 T187 I215 I216 A217	G91-L193 WeakPolarHBondContact O-CD1 3.26Å; A92-L193 VanDerWaalsContact C-CD1 3.41Å; L185-L193 HydrophobicContact CB-CD2 4.29Å; L185-L193 HydrophobicContact CD2-CD2 3.88Å; L185-L193 HydrophobicContact CG-CD2 4.18Å; T187-L193 HydrophobicContact CG2-CD1 4.35Å; T187-L193 HydrophobicContact CG2-CD2 3.62Å; T187-L193 HydrophobicContact CG2-CG 3.82Å; L193-I215 HydrophobicContact CD2-CG2 3.97Å; L193-I216 WeakPolarHBondContact CA-O 3.34Å; L193-I216 WeakPolarHBondContact CD2-O 3.4Å; L193-A217 HydrophobicContact CD2-CB 3.95Å
194	S	96.6	Very high	91.2	Very high	4 Å²	4	49 Å²	49	3%	0.028	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	148.5	169.4	-73.1	0	0	0	0	109.8	I215 I216 Y218 C238	S194-I215 CarbonylContact O-C 3.56Å; S194-I215 VanDerWaalsContact O-CA 3.27Å; S194-I215 WeakPolarHBondContact O-CA 3.49Å; S194-I216 PolarHBondContact N-O 2.95Å; S194-I216 VanDerWaalsContact N-O 3.08Å; S194-I216 PolarHBondContact O-N 2.84Å; S194-Y218 WeakPolarHBondContact OG-CE1 3.09Å; S194-Y218 PolarHBondContact OG-OH 3.09Å; S194-Y218 VanDerWaalsContact OG-OH 3.05Å; S194-C238 PolarHBondContact O-SG 3.03Å
195	G	96.8	Very high	90.5	Very high	0 Å²	0	56 Å²	56	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	148.1	-179.1	0	0	0	0	0	111.3	M208 A214 Q235	G195-M208 WeakPolarHBondContact O-CE 3.39Å; G195-A214 CarbonylContact C-O 3.54Å; G195-A214 WeakPolarHBondContact CA-O 3.4Å; G195-Q235 PolarHBondContact O-NE2 3.34Å
196	Y	97.4	Very high	89.8	Confident	25 Å²	25	57 Å²	57	10%	0.098	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	143.2	179.2	179.6	-100.4	0	0	0	109.8	I86 H198 G213 A214 C238 Q239 V242	I86-Y196 VanDerWaalsContact CD1-O 3.3Å; I86-Y196 WeakPolarHBondContact CD1-O 3.48Å; Y196-H198 HydrophobicContact CE1-CB 4.01Å; Y196-G213 CarbonylContact O-C 3.56Å; Y196-G213 VanDerWaalsContact O-CA 3.26Å; Y196-G213 WeakPolarHBondContact O-CA 3.48Å; Y196-A214 PolarHBondContact N-O 2.93Å; Y196-A214 PolarHBondContact O-N 2.77Å; Y196-C238 HydrophobicContact CG-CB 4.34Å; Y196-Q239 HydrophobicContact CD1-CB 4.33Å; Y196-Q239 HydrophobicContact CE1-CB 4.17Å; Y196-Q239 HydrophobicContact CE1-CG 4.15Å; Y196-Q239 HydrophobicContact CE2-CB 4.47Å; Y196-V242 HydrophobicContact CD1-CB 4.15Å; Y196-V242 HydrophobicContact CD1-CG2 3.86Å; Y196-V242 HydrophobicContact CE1-CB 4.38Å; Y196-V242 HydrophobicContact CE1-CG1 4.36Å; Y196-V242 HydrophobicContact CE1-CG2 4.5Å
197	V	98	Very high	89.5	Confident	5 Å²	5	58.7 Å²	58.7	3%	0.03	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	148.8	173.8	-65.9	0	0	0	0	110.7	I86 P201 M208 Y212	I86-V197 HydrophobicContact CB-CG1 4.48Å; I86-V197 HydrophobicContact CD1-CG1 3.65Å; I86-V197 HydrophobicContact CG1-CG1 3.94Å; V197-P201 HydrophobicContact CG2-CG 4.5Å; V197-M208 HydrophobicContact CG1-CB 4.43Å; V197-Y212 CarbonylContact C-O 3.59Å; V197-Y212 VanDerWaalsContact CA-O 3.22Å; V197-Y212 WeakPolarHBondContact CA-O 3.34Å
198	H	97.3	Very high	89.7	Confident	87 Å²	87	61.5 Å²	61.5	40%	0.403	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	134.1	175	-171.2	75.2	0	0	0	111.7	Y196 G210 H211 Y212 V242	Y196-H198 HydrophobicContact CE1-CB 4.01Å; H198-G210 CarbonylContact O-C 3.39Å; H198-H211 PolarHBondContact O-N 2.81Å; H198-Y212 HydrophobicContact CB-CD2 4.23Å; H198-Y212 AromaticContact CD2-CD2 4Å; H198-Y212 PolarHBondContact N-O 2.81Å; H198-Y212 PolarHBondContact O-N 3.4Å; H198-V242 HydrophobicContact CB-CG1 3.88Å
199	P	95.5	Very high	90.1	Very high	65 Å²	65	61.7 Å²	61.7	42%	0.422	35%	0.346	S	S	.	.	S	Bend	cis	-61.9	148.4	-6.9	27.4	-34.5	0	0	0	111.9
200	K	90.3	Very high	90.7	Very high	131 Å²	131	55.7 Å²	55.7	57%	0.57	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-70.3	131.1	178.3	-168.6	172.4	-178	169.9	0	108.6
201	P	86.5	Confident	91.2	Very high	41 Å²	41	55.3 Å²	55.3	27%	0.266	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-60.5	148.4	175.7	25.2	-34.9	0	0	0	110.6	V197 N203 P207	V197-P201 HydrophobicContact CG2-CG 4.5Å; P201-N203 PolarHBondContact O-N 2.76Å; P201-P207 WeakPolarHBondContact CG-O 3.39Å
202	S	82.9	Confident	91.5	Very high	138 Å²	138	58.7 Å²	58.7	97%	0.965	32%	0.323	S	S	*	.	S	Bend	trans	-65.4	-21.2	-177.6	52.2	0	0	0	0	113.9
203	N	81.5	Confident	91.8	Very high	91 Å²	91	54.8 Å²	54.8	49%	0.487	31%	0.305	S	S	.	.			trans	-111.5	119	175.3	-173.8	-0.6	0	0	0	109.2	P201 D205 G206	P201-N203 PolarHBondContact O-N 2.76Å; N203-D205 PolarHBondContact O-N 3.05Å; N203-D205 PolarHBondContact OD1-N 3.28Å; N203-D205 VanDerWaalsContact OD1-N 3.13Å; N203-G206 PolarHBondContact O-N 3.28Å; N203-G206 VanDerWaalsContact O-N 3.11Å
204	S	73.9	Confident	91.9	Very high	94 Å²	94	53.2 Å²	53.2	66%	0.657	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-29.1	178.6	49.3	0	0	0	0	113.1	G206	S204-G206 VanDerWaalsContact C-N 3.27Å
205	D	80.2	Confident	92	Very high	147 Å²	147	53 Å²	53	79%	0.786	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	1.2	-179.5	-58.7	-10.8	0	0	0	111.9	N203	N203-D205 PolarHBondContact O-N 3.05Å; N203-D205 PolarHBondContact OD1-N 3.28Å; N203-D205 VanDerWaalsContact OD1-N 3.13Å
206	G	81.7	Confident	92.1	Very high	22 Å²	22	53 Å²	53	23%	0.227	30%	0.296	C	S	.	.	S	Bend	trans	-80.5	179.7	-179.9	0	0	0	0	0	113.8	N203 S204 M208	N203-G206 PolarHBondContact O-N 3.28Å; N203-G206 VanDerWaalsContact O-N 3.11Å; S204-G206 VanDerWaalsContact C-N 3.27Å; G206-M208 PolarHBondContact O-N 3.48Å
207	P	88.5	Confident	92	Very high	39 Å²	39	51.9 Å²	51.9	25%	0.253	29%	0.291	S	S	.	.			trans	-44.3	124.2	165.8	-34.8	41.4	0	0	0	113.1	C112 L113 T116 P201 V209	C112-P207 HydrophobicContact CB-CB 4.45Å; C112-P207 HydrophobicContact CB-CG 4.44Å; L113-P207 HydrophobicContact CD2-CG 4.33Å; T116-P207 VanDerWaalsContact OG1-CB 3.26Å; T116-P207 WeakPolarHBondContact OG1-CB 3.36Å; P201-P207 WeakPolarHBondContact CG-O 3.39Å; P207-V209 HydrophobicContact CB-CG1 4.05Å; P207-V209 HydrophobicContact CB-CG2 3.92Å; P207-V209 PolarHBondContact O-N 3.45Å
208	M	95.8	Very high	91.9	Very high	60 Å²	60	51.8 Å²	51.8	30%	0.296	29%	0.291	S	S	.	.			trans	-77.3	77.3	169	-66.9	-177.4	72	0	0	109.5	I86 G195 V197 G206	I86-M208 HydrophobicContact CB-CB 3.98Å; I86-M208 HydrophobicContact CB-CE 4.36Å; I86-M208 HydrophobicContact CD1-CE 4.49Å; I86-M208 HydrophobicContact CG2-CE 4.02Å; I86-M208 HydrophobicContact CG2-SD 4.18Å; I86-M208 PolarHBondContact N-O 2.83Å; G195-M208 WeakPolarHBondContact O-CE 3.39Å; V197-M208 HydrophobicContact CG1-CB 4.43Å; G206-M208 PolarHBondContact O-N 3.48Å
209	V	97.3	Very high	91.7	Very high	13 Å²	13	50.4 Å²	50.4	8%	0.079	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	145.9	-179.7	-60.8	0	0	0	0	112	L83 I84 C112 V115 P207	L83-V209 HydrophobicContact CB-CB 4.39Å; L83-V209 HydrophobicContact CD1-CB 3.99Å; L83-V209 HydrophobicContact CD1-CG2 3.91Å; I84-V209 CarbonylContact O-C 3.46Å; I84-V209 WeakPolarHBondContact O-CA 3.45Å; C112-V209 HydrophobicContact CB-CG2 4.07Å; V115-V209 HydrophobicContact CB-CG1 4.16Å; V115-V209 HydrophobicContact CG1-CG1 3.95Å; P207-V209 HydrophobicContact CB-CG1 4.05Å; P207-V209 HydrophobicContact CB-CG2 3.92Å; P207-V209 PolarHBondContact O-N 3.45Å
210	G	97.2	Very high	91.4	Very high	3 Å²	3	49.8 Å²	49.8	3%	0.031	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.7	-170.5	-179.9	0	0	0	0	0	112.3	L83 I84 H198	L83-G210 CarbonylContact C-O 3.6Å; L83-G210 WeakPolarHBondContact CA-O 3.39Å; I84-G210 PolarHBondContact N-O 3.19Å; I84-G210 PolarHBondContact O-N 2.87Å; H198-G210 CarbonylContact O-C 3.39Å
211	H	98	Very high	91.1	Very high	67 Å²	67	47 Å²	47	31%	0.31	27%	0.273	S	S	.	.	S	Bend	trans	-86.8	-22.4	171.9	-59.5	162.9	0	0	0	112.4	I84 H198 L329	I84-H211 WeakPolarHBondContact CG1-O 3.42Å; H198-H211 PolarHBondContact O-N 2.81Å; H211-L329 HydrophobicContact CB-CB 4.43Å; H211-L329 VanDerWaalsContact O-CB 3.31Å; H211-L329 WeakPolarHBondContact O-CB 3.3Å; H211-L329 PolarHBondContact O-N 2.83Å
212	Y	98.4	Very high	90.5	Very high	85 Å²	85	47.3 Å²	47.3	33%	0.333	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	149.2	171.9	-52.7	-89.1	0	0	0	108.6	V197 H198 V242 F327 S328	V197-Y212 CarbonylContact C-O 3.59Å; V197-Y212 VanDerWaalsContact CA-O 3.22Å; V197-Y212 WeakPolarHBondContact CA-O 3.34Å; H198-Y212 HydrophobicContact CB-CD2 4.23Å; H198-Y212 AromaticContact CD2-CD2 4Å; H198-Y212 PolarHBondContact N-O 2.81Å; H198-Y212 PolarHBondContact O-N 3.4Å; Y212-V242 HydrophobicContact CG-CG1 4.16Å; Y212-F327 WeakPolarHBondContact CA-O 3.18Å; Y212-S328 VanDerWaalsContact CE1-OG 3.23Å; Y212-S328 WeakPolarHBondContact CE1-OG 3.34Å
213	G	98.3	Very high	89.7	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	146.6	170.8	0	0	0	0	0	110.9	Y196 R326 F327	Y196-G213 CarbonylContact O-C 3.56Å; Y196-G213 VanDerWaalsContact O-CA 3.26Å; Y196-G213 WeakPolarHBondContact O-CA 3.48Å; G213-R326 CarbonylContact O-C 3.55Å; G213-R326 WeakPolarHBondContact O-CA 3.33Å; G213-F327 PolarHBondContact N-O 3.5Å; G213-F327 PolarHBondContact O-N 3.36Å
214	A	98.6	Very high	88.8	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	145.9	170.2	0	0	0	0	0	111.1	I86 G195 Y196 V241 V242 V325 R326	I86-A214 VanDerWaalsContact CD1-O 3.28Å; I86-A214 WeakPolarHBondContact CD1-O 3.29Å; G195-A214 CarbonylContact C-O 3.54Å; G195-A214 WeakPolarHBondContact CA-O 3.4Å; Y196-A214 PolarHBondContact N-O 2.93Å; Y196-A214 PolarHBondContact O-N 2.77Å; A214-V241 HydrophobicContact CB-CB 4.11Å; A214-V241 HydrophobicContact CB-CG1 3.7Å; A214-V242 HydrophobicContact CB-CG2 3.64Å; A214-V325 CarbonylContact C-O 3.47Å; A214-V325 WeakPolarHBondContact CA-O 3.07Å; A214-V325 WeakPolarHBondContact CB-O 3.47Å; A214-R326 HydrophobicContact CB-CB 4.49Å
215	I	98.4	Very high	88.3	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	136.6	168.6	-58.1	177.3	0	0	0	107.2	I86 L88 L95 L185 L193 S194 F324 V325	I86-I215 HydrophobicContact CD1-CG1 4.05Å; I86-I215 HydrophobicContact CG1-CD1 4.41Å; I86-I215 HydrophobicContact CG1-CG1 4.2Å; I86-I215 HydrophobicContact CG2-CD1 4.06Å; I86-I215 HydrophobicContact CG2-CG1 4.13Å; L88-I215 HydrophobicContact CD2-CD1 3.85Å; L88-I215 HydrophobicContact CD2-CG1 4.15Å; L88-I215 HydrophobicContact CD2-CG2 3.92Å; L95-I215 HydrophobicContact CB-CD1 3.81Å; L95-I215 HydrophobicContact CB-CG1 4.35Å; L95-I215 HydrophobicContact CD1-CG1 4.4Å; L185-I215 HydrophobicContact CB-CG2 4.28Å; L185-I215 HydrophobicContact CD2-CG2 4.03Å; L193-I215 HydrophobicContact CD2-CG2 3.97Å; S194-I215 CarbonylContact O-C 3.56Å; S194-I215 VanDerWaalsContact O-CA 3.27Å; S194-I215 WeakPolarHBondContact O-CA 3.49Å; I215-F324 CarbonylContact O-C 3.55Å; I215-F324 VanDerWaalsContact O-CA 3.25Å; I215-F324 WeakPolarHBondContact O-CA 3.48Å; I215-V325 PolarHBondContact N-O 3.29Å; I215-V325 PolarHBondContact O-N 3.47Å
216	I	98.1	Very high	87.8	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	147.4	173.7	69.8	179.9	0	0	0	110.3	L193 S194 Y218 G234 I237 C238 V241 I321 D323 F324	L193-I216 WeakPolarHBondContact CA-O 3.34Å; L193-I216 WeakPolarHBondContact CD2-O 3.4Å; S194-I216 PolarHBondContact N-O 2.95Å; S194-I216 VanDerWaalsContact N-O 3.08Å; S194-I216 PolarHBondContact O-N 2.84Å; I216-Y218 HydrophobicContact CD1-CD1 3.94Å; I216-Y218 HydrophobicContact CD1-CE1 4.2Å; I216-Y218 HydrophobicContact CG1-CD1 3.81Å; I216-Y218 HydrophobicContact CG1-CE1 4.13Å; I216-G234 WeakPolarHBondContact CD1-O 3.49Å; I216-I237 HydrophobicContact CD1-CB 3.62Å; I216-I237 HydrophobicContact CD1-CD1 4.43Å; I216-I237 HydrophobicContact CD1-CG2 3.66Å; I216-I237 HydrophobicContact CG2-CG2 4.32Å; I216-C238 VanDerWaalsContact CG1-SG 3.55Å; I216-V241 HydrophobicContact CG2-CG2 4.23Å; I216-I321 HydrophobicContact CB-CD1 4.14Å; I216-I321 HydrophobicContact CG2-CD1 4.18Å; I216-D323 WeakPolarHBondContact CA-O 3.1Å; I216-F324 HydrophobicContact CB-CB 4.38Å; I216-F324 HydrophobicContact CG2-CB 3.74Å
217	A	96.5	Very high	87.5	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	126.1	168.2	0	0	0	0	0	108.8	C138 L185 T187 M191 F192 L193 I321 F322 D323	C138-A217 HydrophobicContact CB-CB 4.5Å; L185-A217 HydrophobicContact CD2-CB 3.58Å; L185-A217 HydrophobicContact CG-CB 4.15Å; T187-A217 HydrophobicContact CG2-CB 3.53Å; M191-A217 HydrophobicContact CE-CB 4.03Å; F192-A217 WeakPolarHBondContact O-CA 3.27Å; L193-A217 HydrophobicContact CD2-CB 3.95Å; A217-I321 WeakPolarHBondContact O-CG1 3.3Å; A217-F322 PolarHBondContact O-N 2.62Å; A217-D323 PolarHBondContact N-O 3.39Å; A217-D323 PolarHBondContact O-N 3.29Å
218	Y	95.6	Very high	87.2	Confident	4 Å²	4	53 Å²	53	2%	0.016	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	161.5	-176.1	65	-71.7	0	0	0	110.5	F192 S194 I216 Y230 E320	F192-Y218 HydrophobicContact CB-CD1 3.96Å; F192-Y218 HydrophobicContact CB-CD2 4.25Å; F192-Y218 HydrophobicContact CB-CE1 3.49Å; F192-Y218 VanDerWaalsContact CB-CE1 3.49Å; F192-Y218 HydrophobicContact CB-CE2 3.8Å; F192-Y218 HydrophobicContact CB-CG 4.32Å; F192-Y218 HydrophobicContact CD2-CD2 4.37Å; F192-Y218 HydrophobicContact CD2-CE2 4.03Å; F192-Y218 HydrophobicContact CG-CE2 4.18Å; F192-Y218 PolarHBondContact N-O 3.14Å; F192-Y218 WeakPolarHBondContact O-CD1 3.5Å; F192-Y218 PolarHBondContact O-N 3.25Å; S194-Y218 WeakPolarHBondContact OG-CE1 3.09Å; S194-Y218 PolarHBondContact OG-OH 3.09Å; S194-Y218 VanDerWaalsContact OG-OH 3.05Å; I216-Y218 HydrophobicContact CD1-CD1 3.94Å; I216-Y218 HydrophobicContact CD1-CE1 4.2Å; I216-Y218 HydrophobicContact CG1-CD1 3.81Å; I216-Y218 HydrophobicContact CG1-CE1 4.13Å; Y218-Y230 PolarHBondContact OH-O 3.05Å; Y218-E320 CarbonylContact C-O 3.56Å; Y218-E320 WeakPolarHBondContact CA-O 3.36Å; Y218-E320 VanDerWaalsContact CB-O 3.28Å; Y218-E320 WeakPolarHBondContact CB-O 3.43Å
219	K	92.6	Very high	86.8	Confident	58 Å²	58	55 Å²	55	25%	0.252	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	146.2	-178.3	-172.9	169	173.8	176.1	0	110.1	D190 M191 C319 E320 F322	D190-K219 VanDerWaalsContact OD2-CE 3.28Å; D190-K219 WeakPolarHBondContact OD2-CE 3.31Å; D190-K219 IonicContact OD2-NZ 3Å; D190-K219 PolarHBondContact OD2-NZ 2.93Å; M191-K219 HydrophobicContact CG-CB 4.23Å; M191-K219 HydrophobicContact CG-CD 4.29Å; M191-K219 HydrophobicContact CG-CG 4.44Å; K219-C319 WeakPolarHBondContact O-CA 3.11Å; K219-E320 PolarHBondContact N-O 3.25Å; K219-E320 PolarHBondContact O-N 3.32Å; K219-F322 HydrophobicContact CB-CD2 4.22Å; K219-F322 HydrophobicContact CB-CE2 3.75Å; K219-F322 HydrophobicContact CD-CE2 4.45Å
220	N	89.2	Confident	86.3	Confident	51 Å²	51	56.6 Å²	56.6	27%	0.273	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	119.4	163.8	175.8	5.7	0	0	0	108.6	F192 G222 Y230 D318	F192-N220 HydrophobicContact CE2-CB 4.04Å; N220-G222 VanDerWaalsContact C-N 3.28Å; N220-G222 WeakPolarHBondContact OD1-CA 3.46Å; N220-G222 PolarHBondContact OD1-N 2.78Å; N220-Y230 HydrophobicContact CB-CD1 4.45Å; N220-Y230 HydrophobicContact CB-CE1 3.9Å; N220-Y230 VanDerWaalsContact CG-OH 3.32Å; N220-Y230 PolarHBondContact ND2-OH 3.2Å; N220-Y230 PolarHBondContact OD1-OH 3.47Å; N220-D318 PolarHBondContact OD1-O 3.2Å
221	C	84.1	Confident	86	Confident	74 Å²	74	62.9 Å²	62.9	50%	0.5	35%	0.349	S	S	.	.			trans	-82.6	-8.1	-179	-63.1	0	0	0	0	113	D318 E320	C221-D318 PolarHBondContact N-O 3.49Å; C221-E320 WeakPolarHBondContact SG-CB 3.49Å
222	G	73.4	Confident	85.9	Confident	47 Å²	47	62.5 Å²	62.5	49%	0.485	35%	0.35	S	S	.	.			trans	69.4	154.6	-171.6	0	0	0	0	0	111.4	N220	N220-G222 VanDerWaalsContact C-N 3.28Å; N220-G222 WeakPolarHBondContact OD1-CA 3.46Å; N220-G222 PolarHBondContact OD1-N 2.78Å
223	G	66	Low	85.7	Confident	76 Å²	76	58.7 Å²	58.7	78%	0.784	34%	0.335	S	S	*	.			trans	145.4	-41.5	178.7	0	0	0	0	0	112.6
224	S	63.9	Low	85.6	Confident	46 Å²	46	58.7 Å²	58.7	32%	0.322	34%	0.335	S	S	.	.			trans	-83.8	133.7	177.2	168.3	0	0	0	0	112.1	K226 D318	S224-K226 VanDerWaalsContact C-N 3.28Å; S224-K226 WeakPolarHBondContact OG-CA 3.3Å; S224-K226 VanDerWaalsContact OG-CB 3.27Å; S224-K226 WeakPolarHBondContact OG-CB 3.41Å; S224-K226 PolarHBondContact OG-N 3.5Å; S224-K226 PolarHBondContact OG-O 2.94Å; S224-D318 VanDerWaalsContact CA-OD2 3.28Å; S224-D318 WeakPolarHBondContact CA-OD2 3.44Å; S224-D318 WeakPolarHBondContact CB-OD2 3.47Å; S224-D318 PolarHBondContact N-OD2 2.75Å
225	S	62.7	Low	85.5	Confident	133 Å²	133	60.2 Å²	60.2	93%	0.93	34%	0.342	S	S	*	.			trans	-82.3	-4.8	166.4	36.8	0	0	0	0	112.7
226	K	70.3	Confident	85.5	Confident	159 Å²	159	63.3 Å²	63.3	69%	0.691	36%	0.356	S	S	*	.	S	Bend	trans	-78.3	134.3	172.1	-69.3	178.3	173.4	173.8	0	110.4	S224 L228	S224-K226 VanDerWaalsContact C-N 3.28Å; S224-K226 WeakPolarHBondContact OG-CA 3.3Å; S224-K226 VanDerWaalsContact OG-CB 3.27Å; S224-K226 WeakPolarHBondContact OG-CB 3.41Å; S224-K226 PolarHBondContact OG-N 3.5Å; S224-K226 PolarHBondContact OG-O 2.94Å; K226-L228 HydrophobicContact CB-CD2 4.46Å; K226-L228 PolarHBondContact O-N 2.9Å
227	E	74.7	Confident	85.5	Confident	201 Å²	201	63.3 Å²	63.3	94%	0.939	36%	0.356	S	S	*	.			trans	-66.3	109.1	164.6	-163.6	170.3	-164	0	0	108.4
228	L	81.5	Confident	85.6	Confident	36 Å²	36	63.3 Å²	63.3	19%	0.188	36%	0.356	C	S	.	.			trans	-102.4	142.1	179	-66.4	174.5	0	0	0	110	K226 Y230 I233 N317	K226-L228 HydrophobicContact CB-CD2 4.46Å; K226-L228 PolarHBondContact O-N 2.9Å; L228-Y230 HydrophobicContact CB-CE1 4.19Å; L228-Y230 HydrophobicContact CB-CE2 4.19Å; L228-Y230 HydrophobicContact CD1-CE1 4.34Å; L228-Y230 WeakPolarHBondContact O-CD2 3.39Å; L228-Y230 PolarHBondContact O-N 3.4Å; L228-I233 HydrophobicContact CB-CD1 4.14Å; L228-I233 HydrophobicContact CD1-CD1 4.48Å; L228-N317 HydrophobicContact CD1-CB 4.23Å; L228-N317 WeakPolarHBondContact CD1-O 3.24Å
229	D	88.9	Confident	85.7	Confident	100 Å²	100	66.3 Å²	66.3	54%	0.535	37%	0.37	S	S	.	.			trans	-83.3	88.6	170.8	-173.6	-11.8	0	0	0	109.5	F231 D232 I233	D229-F231 PolarHBondContact O-N 3.16Å; D229-F231 WeakPolarHBondContact OD1-CB 3.39Å; D229-F231 PolarHBondContact OD1-N 3Å; D229-F231 VanDerWaalsContact OD1-N 3.12Å; D229-D232 HydrophobicContact CB-CB 3.99Å; D229-D232 PolarHBondContact O-N 3.39Å; D229-D232 PolarHBondContact OD1-N 3.32Å; D229-D232 VanDerWaalsContact OD1-N 3.08Å; D229-I233 WeakPolarHBondContact O-CG1 3.24Å; D229-I233 PolarHBondContact O-N 3.06Å
230	Y	87.1	Confident	86	Confident	47 Å²	47	63.6 Å²	63.6	18%	0.184	36%	0.358	C	S	.	.	H	α-helix	trans	-61.6	-30.8	179.7	-65.2	-72.4	0	0	0	112.6	Y218 N220 L228 I233 G234	Y218-Y230 PolarHBondContact OH-O 3.05Å; N220-Y230 HydrophobicContact CB-CD1 4.45Å; N220-Y230 HydrophobicContact CB-CE1 3.9Å; N220-Y230 VanDerWaalsContact CG-OH 3.32Å; N220-Y230 PolarHBondContact ND2-OH 3.2Å; N220-Y230 PolarHBondContact OD1-OH 3.47Å; L228-Y230 HydrophobicContact CB-CE1 4.19Å; L228-Y230 HydrophobicContact CB-CE2 4.19Å; L228-Y230 HydrophobicContact CD1-CE1 4.34Å; L228-Y230 WeakPolarHBondContact O-CD2 3.39Å; L228-Y230 PolarHBondContact O-N 3.4Å; Y230-I233 HydrophobicContact CD1-CD1 4.12Å; Y230-I233 HydrophobicContact CE1-CD1 4.5Å; Y230-I233 PolarHBondContact O-N 2.98Å; Y230-G234 PolarHBondContact O-N 3.22Å
231	F	90.4	Very high	86.4	Confident	135 Å²	135	61.1 Å²	61.1	59%	0.592	35%	0.345	S	S	*	.	H	α-helix	trans	-64.7	-46	175.9	177.5	-95.5	0	0	0	110.8	D229 G234 Q235	D229-F231 PolarHBondContact O-N 3.16Å; D229-F231 WeakPolarHBondContact OD1-CB 3.39Å; D229-F231 PolarHBondContact OD1-N 3Å; D229-F231 VanDerWaalsContact OD1-N 3.12Å; F231-G234 PolarHBondContact O-N 3.37Å; F231-Q235 HydrophobicContact CD1-CG 4.11Å; F231-Q235 HydrophobicContact CE1-CG 3.69Å; F231-Q235 HydrophobicContact CE2-CG 4.34Å; F231-Q235 HydrophobicContact CZ-CG 3.83Å; F231-Q235 VanDerWaalsContact O-CG 3.31Å; F231-Q235 WeakPolarHBondContact O-CG 3.45Å; F231-Q235 PolarHBondContact O-N 2.91Å
232	D	94.4	Very high	87.1	Confident	60 Å²	60	58.1 Å²	58.1	32%	0.321	32%	0.324	S	S	.	.	H	α-helix	trans	-62.1	-43	175.6	179.7	62.2	0	0	0	112.1	D229 G234 Q235 K236	D229-D232 HydrophobicContact CB-CB 3.99Å; D229-D232 PolarHBondContact O-N 3.39Å; D229-D232 PolarHBondContact OD1-N 3.32Å; D229-D232 VanDerWaalsContact OD1-N 3.08Å; D232-G234 VanDerWaalsContact C-N 3.34Å; D232-G234 PolarHBondContact O-N 3.24Å; D232-Q235 PolarHBondContact O-N 3.39Å; D232-K236 WeakPolarHBondContact O-CB 3.37Å; D232-K236 VanDerWaalsContact O-CG 3.28Å; D232-K236 WeakPolarHBondContact O-CG 3.04Å; D232-K236 PolarHBondContact O-N 3.33Å; D232-K236 IonicContact OD1-NZ 3.9Å; D232-K236 WeakPolarHBondContact OD2-CE 3.31Å; D232-K236 IonicContact OD2-NZ 2.64Å; D232-K236 PolarHBondContact OD2-NZ 2.89Å
233	I	95.5	Very high	88.3	Confident	5 Å²	5	57.9 Å²	57.9	3%	0.026	32%	0.322	C	S	.	.	H	α-helix	trans	-55.9	-50.2	174.4	-67.9	160.8	0	0	0	110.4	L228 D229 Y230 Q235 K236 I237 F313 N317	L228-I233 HydrophobicContact CB-CD1 4.14Å; L228-I233 HydrophobicContact CD1-CD1 4.48Å; D229-I233 WeakPolarHBondContact O-CG1 3.24Å; D229-I233 PolarHBondContact O-N 3.06Å; Y230-I233 HydrophobicContact CD1-CD1 4.12Å; Y230-I233 HydrophobicContact CE1-CD1 4.5Å; Y230-I233 PolarHBondContact O-N 2.98Å; I233-Q235 PolarHBondContact O-N 2.86Å; I233-K236 PolarHBondContact O-N 3.24Å; I233-I237 HydrophobicContact CG2-CD1 4.01Å; I233-I237 WeakPolarHBondContact O-CG1 3.46Å; I233-I237 PolarHBondContact O-N 3.35Å; I233-I237 VanDerWaalsContact O-N 3.09Å; I233-F313 HydrophobicContact CG1-CZ 4.4Å; I233-F313 HydrophobicContact CG2-CE1 3.97Å; I233-F313 HydrophobicContact CG2-CZ 4.33Å; I233-N317 HydrophobicContact CD1-CB 3.76Å; I233-N317 HydrophobicContact CG1-CB 4.37Å
234	G	96.3	Very high	89.8	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-61.2	-43.3	179.4	0	0	0	0	0	112.8	I216 Y230 F231 D232 K236 I237 C238	I216-G234 WeakPolarHBondContact CD1-O 3.49Å; Y230-G234 PolarHBondContact O-N 3.22Å; F231-G234 PolarHBondContact O-N 3.37Å; D232-G234 VanDerWaalsContact C-N 3.34Å; D232-G234 PolarHBondContact O-N 3.24Å; G234-K236 PolarHBondContact O-N 2.97Å; G234-I237 PolarHBondContact O-N 2.92Å; G234-C238 PolarHBondContact O-N 2.94Å; G234-C238 PolarHBondContact O-SG 2.97Å
235	Q	96.4	Very high	91.4	Very high	31 Å²	31	58.3 Å²	58.3	15%	0.145	30%	0.301	C	S	.	.	H	α-helix	trans	-60.2	-44.5	176.3	-73.4	-61.7	-54.1	0	0	112.3	G195 F231 D232 I233 I237 C238 Q239	G195-Q235 PolarHBondContact O-NE2 3.34Å; F231-Q235 HydrophobicContact CD1-CG 4.11Å; F231-Q235 HydrophobicContact CE1-CG 3.69Å; F231-Q235 HydrophobicContact CE2-CG 4.34Å; F231-Q235 HydrophobicContact CZ-CG 3.83Å; F231-Q235 VanDerWaalsContact O-CG 3.31Å; F231-Q235 WeakPolarHBondContact O-CG 3.45Å; F231-Q235 PolarHBondContact O-N 2.91Å; D232-Q235 PolarHBondContact O-N 3.39Å; I233-Q235 PolarHBondContact O-N 2.86Å; Q235-I237 PolarHBondContact O-N 2.94Å; Q235-C238 PolarHBondContact O-N 3.09Å; Q235-Q239 WeakPolarHBondContact O-CB 3.38Å; Q235-Q239 PolarHBondContact O-N 2.89Å
236	K	97.7	Very high	93.1	Very high	66 Å²	66	52.2 Å²	52.2	29%	0.287	26%	0.258	S	S	.	.	H	α-helix	trans	-62.6	-41.4	179.2	-74.4	176.2	171.4	162.4	0	112.4	D232 I233 G234 Q239 H240 F302 L304 F313	D232-K236 WeakPolarHBondContact O-CB 3.37Å; D232-K236 VanDerWaalsContact O-CG 3.28Å; D232-K236 WeakPolarHBondContact O-CG 3.04Å; D232-K236 PolarHBondContact O-N 3.33Å; D232-K236 IonicContact OD1-NZ 3.9Å; D232-K236 WeakPolarHBondContact OD2-CE 3.31Å; D232-K236 IonicContact OD2-NZ 2.64Å; D232-K236 PolarHBondContact OD2-NZ 2.89Å; I233-K236 PolarHBondContact O-N 3.24Å; G234-K236 PolarHBondContact O-N 2.97Å; K236-Q239 PolarHBondContact O-N 3.38Å; K236-H240 PolarHBondContact O-N 2.86Å; K236-F302 HydrophobicContact CB-CZ 4.11Å; K236-L304 HydrophobicContact CB-CD1 3.68Å; K236-L304 HydrophobicContact CD-CD1 4.17Å; K236-L304 HydrophobicContact CG-CD1 3.51Å; K236-F313 HydrophobicContact CB-CZ 4.49Å; K236-F313 HydrophobicContact CD-CZ 4.12Å
237	I	98.3	Very high	94.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-69	-43	176.6	-61.6	170.9	0	0	0	110.5	I216 I233 G234 Q235 Q239 H240 V241 F313 L314 I321	I216-I237 HydrophobicContact CD1-CB 3.62Å; I216-I237 HydrophobicContact CD1-CD1 4.43Å; I216-I237 HydrophobicContact CD1-CG2 3.66Å; I216-I237 HydrophobicContact CG2-CG2 4.32Å; I233-I237 HydrophobicContact CG2-CD1 4.01Å; I233-I237 WeakPolarHBondContact O-CG1 3.46Å; I233-I237 PolarHBondContact O-N 3.35Å; I233-I237 VanDerWaalsContact O-N 3.09Å; G234-I237 PolarHBondContact O-N 2.92Å; Q235-I237 PolarHBondContact O-N 2.94Å; I237-Q239 VanDerWaalsContact C-N 3.28Å; I237-Q239 PolarHBondContact O-N 3.2Å; I237-H240 WeakPolarHBondContact O-CB 3.38Å; I237-H240 PolarHBondContact O-N 2.94Å; I237-H240 VanDerWaalsContact O-N 3.14Å; I237-V241 HydrophobicContact CG2-CG2 4.37Å; I237-V241 WeakPolarHBondContact O-CG2 3.36Å; I237-V241 PolarHBondContact O-N 3.01Å; I237-F313 HydrophobicContact CD1-CD1 4.47Å; I237-F313 HydrophobicContact CD1-CE1 4.2Å; I237-F313 HydrophobicContact CG1-CD1 4.24Å; I237-F313 HydrophobicContact CG1-CE1 3.92Å; I237-L314 HydrophobicContact CD1-CD2 3.37Å; I237-L314 HydrophobicContact CD1-CG 3.97Å; I237-I321 HydrophobicContact CG2-CD1 4.14Å
238	C	98.2	Very high	95.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-60.1	-39	174.6	-65.3	0	0	0	0	112.1	S194 Y196 I216 G234 Q235 H240 V241 V242	S194-C238 PolarHBondContact O-SG 3.03Å; Y196-C238 HydrophobicContact CG-CB 4.34Å; I216-C238 VanDerWaalsContact CG1-SG 3.55Å; G234-C238 PolarHBondContact O-N 2.94Å; G234-C238 PolarHBondContact O-SG 2.97Å; Q235-C238 PolarHBondContact O-N 3.09Å; C238-H240 VanDerWaalsContact C-N 3.34Å; C238-V241 PolarHBondContact O-N 3.36Å; C238-V242 PolarHBondContact O-N 3.45Å
239	Q	98.3	Very high	96	Very high	68 Å²	68	43.3 Å²	43.3	32%	0.318	22%	0.223	S	C	.	.	H	α-helix	trans	-62.5	-42.3	174.8	-177.8	177.4	-2.7	0	0	111.5	Y196 Q235 K236 I237 V242 G243	Y196-Q239 HydrophobicContact CD1-CB 4.33Å; Y196-Q239 HydrophobicContact CE1-CB 4.17Å; Y196-Q239 HydrophobicContact CE1-CG 4.15Å; Y196-Q239 HydrophobicContact CE2-CB 4.47Å; Q235-Q239 WeakPolarHBondContact O-CB 3.38Å; Q235-Q239 PolarHBondContact O-N 2.89Å; K236-Q239 PolarHBondContact O-N 3.38Å; I237-Q239 VanDerWaalsContact C-N 3.28Å; I237-Q239 PolarHBondContact O-N 3.2Å; Q239-V242 PolarHBondContact O-N 2.86Å; Q239-G243 PolarHBondContact O-N 3.12Å
240	H	98.7	Very high	96.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60	-51.5	173	-179.7	101.2	0	0	0	111.5	K236 I237 C238 V242 G243 M244 Q300 T301 F302 L303 V310	K236-H240 PolarHBondContact O-N 2.86Å; I237-H240 WeakPolarHBondContact O-CB 3.38Å; I237-H240 PolarHBondContact O-N 2.94Å; I237-H240 VanDerWaalsContact O-N 3.14Å; C238-H240 VanDerWaalsContact C-N 3.34Å; H240-V242 VanDerWaalsContact C-N 3.3Å; H240-V242 PolarHBondContact O-N 3.37Å; H240-G243 PolarHBondContact O-N 3.46Å; H240-G243 VanDerWaalsContact O-N 3.08Å; H240-M244 WeakPolarHBondContact O-CB 3.49Å; H240-M244 PolarHBondContact O-N 3.3Å; H240-Q300 WeakPolarHBondContact NE2-CB 3.26Å; H240-Q300 PolarHBondContact NE2-OE1 3.44Å; H240-T301 PolarHBondContact CE1-O 3.14Å; H240-T301 VanDerWaalsContact CE1-O 3.27Å; H240-F302 HydrophobicContact CB-CD2 4.28Å; H240-F302 HydrophobicContact CB-CE2 4.13Å; H240-F302 AromaticContact ND1-CD2 3.61Å; H240-L303 HydrophobicContact CB-CB 4.39Å; H240-L303 PolarHBondContact ND1-N 3.31Å; H240-L303 VanDerWaalsContact ND1-N 3.14Å; H240-V310 WeakPolarHBondContact CE1-CG2 3.41Å; H240-V310 WeakPolarHBondContact NE2-CG2 3.47Å
241	V	98.7	Very high	96.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-55.9	-45.9	179.3	170.9	0	0	0	0	110.8	A214 I216 I237 C238 G243 N245 P246 L297 F324 R326	A214-V241 HydrophobicContact CB-CB 4.11Å; A214-V241 HydrophobicContact CB-CG1 3.7Å; I216-V241 HydrophobicContact CG2-CG2 4.23Å; I237-V241 HydrophobicContact CG2-CG2 4.37Å; I237-V241 WeakPolarHBondContact O-CG2 3.36Å; I237-V241 PolarHBondContact O-N 3.01Å; C238-V241 PolarHBondContact O-N 3.36Å; V241-G243 PolarHBondContact O-N 3.25Å; V241-N245 PolarHBondContact O-N 2.87Å; V241-N245 VanDerWaalsContact O-N 3.08Å; V241-P246 HydrophobicContact CB-CG 4.44Å; V241-P246 HydrophobicContact CG1-CG 4.29Å; V241-P246 HydrophobicContact CG2-CG 4.17Å; V241-L297 HydrophobicContact CG2-CD1 3.95Å; V241-L297 HydrophobicContact CG2-CD2 4.38Å; V241-F324 HydrophobicContact CG1-CD2 3.74Å; V241-F324 HydrophobicContact CG1-CE2 4.25Å; V241-F324 HydrophobicContact CG1-CG 4.43Å; V241-F324 HydrophobicContact CG2-CD2 4.42Å; V241-F324 HydrophobicContact CG2-CG 4.41Å; V241-R326 HydrophobicContact CG1-CB 3.81Å; V241-R326 HydrophobicContact CG1-CG 4.18Å; V241-R326 WeakPolarHBondContact O-CD 3.43Å; V241-R326 PolarHBondContact O-NE 3.46Å
242	V	98.3	Very high	95.7	Very high	10 Å²	10	34.7 Å²	34.7	6%	0.061	20%	0.195	C	C	.	.	H	α-helix	trans	-58.9	-47.7	176.3	163.1	0	0	0	0	111.6	Y196 H198 Y212 A214 C238 Q239 H240 R326	Y196-V242 HydrophobicContact CD1-CB 4.15Å; Y196-V242 HydrophobicContact CD1-CG2 3.86Å; Y196-V242 HydrophobicContact CE1-CB 4.38Å; Y196-V242 HydrophobicContact CE1-CG1 4.36Å; Y196-V242 HydrophobicContact CE1-CG2 4.5Å; H198-V242 HydrophobicContact CB-CG1 3.88Å; Y212-V242 HydrophobicContact CG-CG1 4.16Å; A214-V242 HydrophobicContact CB-CG2 3.64Å; C238-V242 PolarHBondContact O-N 3.45Å; Q239-V242 PolarHBondContact O-N 2.86Å; H240-V242 VanDerWaalsContact C-N 3.3Å; H240-V242 PolarHBondContact O-N 3.37Å; V242-R326 PolarHBondContact O-NE 3.03Å; V242-R326 VanDerWaalsContact O-NE 3.15Å; V242-R326 PolarHBondContact O-NH2 3.27Å; V242-R326 VanDerWaalsContact O-NH2 3.16Å
243	G	97.6	Very high	94.6	Very high	42 Å²	42	33.3 Å²	33.3	43%	0.433	19%	0.19	S	C	.	.	H	α-helix	trans	-73.8	-42.6	-174.8	0	0	0	0	0	114.6	Q239 H240 V241	Q239-G243 PolarHBondContact O-N 3.12Å; H240-G243 PolarHBondContact O-N 3.46Å; H240-G243 VanDerWaalsContact O-N 3.08Å; V241-G243 PolarHBondContact O-N 3.25Å
244	M	98	Very high	93.3	Very high	76 Å²	76	36.3 Å²	36.3	37%	0.374	21%	0.205	S	C	.	.	H	α-helix	trans	-101.2	-7	-169.5	-57.2	-65.6	89.2	0	0	113.9	H240 Q300 L303	H240-M244 WeakPolarHBondContact O-CB 3.49Å; H240-M244 PolarHBondContact O-N 3.3Å; M244-Q300 PolarHBondContact O-NE2 2.87Å; M244-Q300 VanDerWaalsContact O-NE2 3.13Å; M244-L303 HydrophobicContact CE-CD1 3.61Å; M244-L303 HydrophobicContact CE-CD2 4.34Å; M244-L303 HydrophobicContact CE-CG 4.45Å; M244-L303 HydrophobicContact CG-CB 4.09Å; M244-L303 HydrophobicContact SD-CB 4.39Å; M244-L303 HydrophobicContact SD-CD1 4Å
245	N	97.2	Very high	92.1	Very high	56 Å²	56	39.3 Å²	39.3	30%	0.299	22%	0.22	S	C	.	.			trans	50.8	49.1	171.6	-168.6	22.3	0	0	0	115.5	V241 K247 R326	V241-N245 PolarHBondContact O-N 2.87Å; V241-N245 VanDerWaalsContact O-N 3.08Å; N245-K247 VanDerWaalsContact CG-NZ 3.31Å; N245-K247 PolarHBondContact ND2-NZ 3.22Å; N245-K247 VanDerWaalsContact ND2-NZ 3.12Å; N245-K247 PolarHBondContact OD1-NZ 3.03Å; N245-R326 PolarHBondContact OD1-NH1 3.15Å; N245-R326 VanDerWaalsContact OD1-NH1 3.09Å
246	P	97.9	Very high	90.7	Very high	4 Å²	4	40 Å²	40	3%	0.026	23%	0.227	C	C	.	.			trans	-59	149.9	173.2	25.9	-32.5	0	0	0	111.1	V241 T295 L297 F324	V241-P246 HydrophobicContact CB-CG 4.44Å; V241-P246 HydrophobicContact CG1-CG 4.29Å; V241-P246 HydrophobicContact CG2-CG 4.17Å; P246-T295 CarbonylContact C-O 2.98Å; P246-T295 WeakPolarHBondContact CA-O 3.34Å; P246-L297 HydrophobicContact CB-CB 3.83Å; P246-L297 HydrophobicContact CB-CD1 4.45Å; P246-L297 HydrophobicContact CG-CB 4.12Å; P246-L297 HydrophobicContact CG-CD1 3.93Å; P246-F324 HydrophobicContact CB-CE2 4.31Å; P246-F324 HydrophobicContact CB-CZ 3.8Å; P246-F324 HydrophobicContact CG-CE1 4.46Å; P246-F324 HydrophobicContact CG-CE2 3.86Å; P246-F324 HydrophobicContact CG-CZ 3.77Å; P246-F324 WeakPolarHBondContact O-CE2 3.37Å
247	K	95.7	Very high	89.1	Confident	120 Å²	120	43.5 Å²	43.5	52%	0.522	24%	0.244	S	C	.	.	S	Bend	trans	-103.7	-26.2	-178.6	-57.4	-52.4	-177.5	-172	0	112.9	N245 T295	N245-K247 VanDerWaalsContact CG-NZ 3.31Å; N245-K247 PolarHBondContact ND2-NZ 3.22Å; N245-K247 VanDerWaalsContact ND2-NZ 3.12Å; N245-K247 PolarHBondContact OD1-NZ 3.03Å; K247-T295 HydrophobicContact CG-CG2 4.26Å; K247-T295 PolarHBondContact N-O 2.98Å
248	S	96.3	Very high	87.2	Confident	51 Å²	51	49.7 Å²	49.7	36%	0.357	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-143.4	167.9	175.5	59.5	0	0	0	0	109.7	T295 L297	S248-T295 PolarHBondContact N-O 3.03Å; S248-L297 PolarHBondContact O-N 3.02Å
249	I	97.1	Very high	85.4	Confident	38 Å²	38	54.5 Å²	54.5	20%	0.195	30%	0.298	C	S	.	.			trans	-68.7	-47.5	172.1	-61.2	172.9	0	0	0	109.2	L297 L298 I321 F322 F324	I249-L297 PolarHBondContact O-N 3.15Å; I249-L297 VanDerWaalsContact O-N 3.16Å; I249-L298 HydrophobicContact CG2-CD1 3.87Å; I249-L298 HydrophobicContact CG2-CD2 4.37Å; I249-L298 HydrophobicContact CG2-CG 3.83Å; I249-L298 WeakPolarHBondContact O-CG 3.48Å; I249-L298 PolarHBondContact O-N 3.22Å; I249-I321 HydrophobicContact CG2-CG2 3.65Å; I249-F322 WeakPolarHBondContact CD1-O 3.41Å; I249-F324 HydrophobicContact CG1-CD1 3.95Å; I249-F324 HydrophobicContact CG1-CE1 3.88Å
250	G	93.3	Very high	83.6	Confident	27 Å²	27	53.5 Å²	53.5	28%	0.278	30%	0.301	S	S	.	.			trans	70.4	-161.8	-174.8	0	0	0	0	0	112.6	E296 L298	G250-E296 VanDerWaalsContact CA-OE2 3.32Å; G250-E296 WeakPolarHBondContact CA-OE2 3.41Å; G250-L298 WeakPolarHBondContact O-CD1 3.29Å
251	T	87.6	Confident	81.6	Confident	63 Å²	63	57.2 Å²	57.2	39%	0.387	32%	0.324	S	S	.	.			trans	-122.6	148	179.1	-40.7	0	0	0	0	108.8	D255 V256 E296 R299	T251-D255 HydrophobicContact CG2-CB 3.83Å; T251-V256 HydrophobicContact CG2-CG2 4.24Å; T251-E296 PolarHBondContact N-OE2 3.09Å; T251-R299 WeakPolarHBondContact O-CG 3.34Å
252	S	77.4	Confident	79.7	Confident	11 Å²	11	61.7 Å²	61.7	8%	0.077	35%	0.351	C	S	.	.			trans	-63.5	149.6	177.4	86.8	0	0	0	0	110.6	E254 D255 V256	S252-E254 PolarHBondContact O-N 3.04Å; S252-D255 WeakPolarHBondContact CB-OD2 3.25Å; S252-D255 PolarHBondContact O-N 2.84Å; S252-D255 PolarHBondContact OG-N 2.72Å; S252-D255 PolarHBondContact OG-OD2 2.99Å; S252-V256 VanDerWaalsContact O-CG2 3.24Å; S252-V256 WeakPolarHBondContact O-CG2 3.49Å; S252-V256 PolarHBondContact O-N 3.21Å
253	S	71.7	Confident	77.6	Confident	31 Å²	31	64 Å²	64	22%	0.217	37%	0.368	C	S	.	.	H	α-helix	trans	-59.6	-36.1	178.8	48.5	0	0	0	0	112.3	V256 E257	S253-V256 PolarHBondContact O-N 3.16Å; S253-E257 PolarHBondContact O-N 2.91Å; S253-E257 VanDerWaalsContact O-N 3.1Å
254	E	69	Low	75.4	Confident	69 Å²	69	66.3 Å²	66.3	32%	0.322	37%	0.374	S	S	.	.	H	α-helix	trans	-64.3	-45	178.5	-65.9	172.4	-167.3	0	0	111.4	S252 V256 E257 E258 Q312 K315	S252-E254 PolarHBondContact O-N 3.04Å; E254-V256 VanDerWaalsContact C-N 3.25Å; E254-V256 PolarHBondContact O-N 3.09Å; E254-E257 PolarHBondContact O-N 2.83Å; E254-E258 PolarHBondContact O-N 3.01Å; E254-Q312 WeakPolarHBondContact OE1-CG 3.18Å; E254-Q312 PolarHBondContact OE1-NE2 3.35Å; E254-Q312 VanDerWaalsContact OE1-NE2 3.12Å; E254-K315 IonicContact OE2-NZ 2.7Å; E254-K315 PolarHBondContact OE2-NZ 2.94Å
255	D	70.8	Confident	73.1	Confident	62 Å²	62	70.4 Å²	70.4	33%	0.332	39%	0.392	S	S	.	.	H	α-helix	trans	-66.2	-32.1	179.1	-54	-39.7	0	0	0	111.1	T251 S252 E258 I259	T251-D255 HydrophobicContact CG2-CB 3.83Å; S252-D255 WeakPolarHBondContact CB-OD2 3.25Å; S252-D255 PolarHBondContact O-N 2.84Å; S252-D255 PolarHBondContact OG-N 2.72Å; S252-D255 PolarHBondContact OG-OD2 2.99Å; D255-E258 PolarHBondContact O-N 3.11Å; D255-I259 WeakPolarHBondContact O-CB 3.4Å; D255-I259 VanDerWaalsContact O-CD1 3.25Å; D255-I259 WeakPolarHBondContact O-CD1 3.47Å; D255-I259 WeakPolarHBondContact O-CG1 3.38Å; D255-I259 PolarHBondContact O-N 2.91Å
256	V	67.5	Low	70.7	Confident	46 Å²	46	72 Å²	72	28%	0.279	41%	0.412	S	S	.	.	H	α-helix	trans	-71.9	-40.9	179.8	176.3	0	0	0	0	111.1	T251 S252 S253 E254 E258 I259 A260	T251-V256 HydrophobicContact CG2-CG2 4.24Å; S252-V256 VanDerWaalsContact O-CG2 3.24Å; S252-V256 WeakPolarHBondContact O-CG2 3.49Å; S252-V256 PolarHBondContact O-N 3.21Å; S253-V256 PolarHBondContact O-N 3.16Å; E254-V256 VanDerWaalsContact C-N 3.25Å; E254-V256 PolarHBondContact O-N 3.09Å; V256-E258 VanDerWaalsContact C-N 3.33Å; V256-I259 PolarHBondContact O-N 3.19Å; V256-A260 VanDerWaalsContact O-CB 3.25Å; V256-A260 WeakPolarHBondContact O-CB 3.47Å; V256-A260 PolarHBondContact O-N 2.85Å
257	E	62.9	Low	68.1	Low	140 Å²	140	79.6 Å²	79.6	65%	0.654	45%	0.448	S	S	*	.	H	α-helix	trans	-64.7	-38.7	173.6	-72.6	-177.7	-174.7	0	0	111.4	S253 E254 A260 T261	S253-E257 PolarHBondContact O-N 2.91Å; S253-E257 VanDerWaalsContact O-N 3.1Å; E254-E257 PolarHBondContact O-N 2.83Å; E257-A260 PolarHBondContact O-N 3.35Å; E257-T261 WeakPolarHBondContact O-CB 3.49Å; E257-T261 WeakPolarHBondContact O-CG2 3.29Å; E257-T261 PolarHBondContact O-N 3.44Å; E257-T261 PolarHBondContact O-OG1 3.31Å
258	E	58.6	Low	65.6	Low	130 Å²	130	79.9 Å²	79.9	61%	0.607	46%	0.459	S	S	*	.	H	α-helix	trans	-65.1	-44.5	174.3	-167.2	174.5	179.2	0	0	111.8	E254 D255 V256 T261 V262	E254-E258 PolarHBondContact O-N 3.01Å; D255-E258 PolarHBondContact O-N 3.11Å; V256-E258 VanDerWaalsContact C-N 3.33Å; E258-T261 WeakPolarHBondContact CA-OG1 3.34Å; E258-T261 PolarHBondContact O-OG1 3.22Å; E258-V262 VanDerWaalsContact O-CG2 3.25Å; E258-V262 WeakPolarHBondContact O-CG2 3.17Å; E258-V262 PolarHBondContact O-N 3.02Å; E258-V262 VanDerWaalsContact O-N 3.12Å
259	I	61.3	Low	62.9	Low	101 Å²	101	81.4 Å²	81.4	52%	0.518	48%	0.475	S	S	.	.	H	α-helix	trans	-65	-42.5	176.3	-65.9	159	0	0	0	111	D255 V256 V262 S263	D255-I259 WeakPolarHBondContact O-CB 3.4Å; D255-I259 VanDerWaalsContact O-CD1 3.25Å; D255-I259 WeakPolarHBondContact O-CD1 3.47Å; D255-I259 WeakPolarHBondContact O-CG1 3.38Å; D255-I259 PolarHBondContact O-N 2.91Å; V256-I259 PolarHBondContact O-N 3.19Å; I259-V262 PolarHBondContact O-N 3.42Å; I259-S263 WeakPolarHBondContact O-CB 3.31Å; I259-S263 PolarHBondContact O-N 3.08Å; I259-S263 PolarHBondContact O-OG 3.46Å
260	A	59.9	Low	60.4	Low	46 Å²	46	89 Å²	89	38%	0.38	51%	0.506	S	S	.	.	H	α-helix	trans	-63.7	-45.1	179.6	0	0	0	0	0	111.4	V256 E257 V262 S263 T264	V256-A260 VanDerWaalsContact O-CB 3.25Å; V256-A260 WeakPolarHBondContact O-CB 3.47Å; V256-A260 PolarHBondContact O-N 2.85Å; E257-A260 PolarHBondContact O-N 3.35Å; A260-V262 PolarHBondContact O-N 3.49Å; A260-S263 PolarHBondContact O-N 3.34Å; A260-T264 WeakPolarHBondContact O-CG2 3.37Å; A260-T264 PolarHBondContact O-N 3.46Å; A260-T264 PolarHBondContact O-OG1 2.78Å
261	T	57.4	Low	58.4	Low	79 Å²	79	93.7 Å²	93.7	49%	0.485	53%	0.532	S	S	.	.	H	α-helix	trans	-60.4	-46.7	176.9	41.2	0	0	0	0	111.8	E257 E258 S263 T264 E265	E257-T261 WeakPolarHBondContact O-CB 3.49Å; E257-T261 WeakPolarHBondContact O-CG2 3.29Å; E257-T261 PolarHBondContact O-N 3.44Å; E257-T261 PolarHBondContact O-OG1 3.31Å; E258-T261 WeakPolarHBondContact CA-OG1 3.34Å; E258-T261 PolarHBondContact O-OG1 3.22Å; T261-S263 VanDerWaalsContact C-N 3.29Å; T261-S263 PolarHBondContact O-N 2.91Å; T261-T264 WeakPolarHBondContact CA-OG1 3.34Å; T261-T264 PolarHBondContact O-N 3.36Å; T261-T264 PolarHBondContact O-OG1 2.94Å; T261-E265 PolarHBondContact O-N 3.48Å; T261-E265 VanDerWaalsContact O-N 3.16Å
262	V	57.5	Low	56.9	Low	93 Å²	93	94.3 Å²	94.3	56%	0.564	54%	0.539	S	S	*	.	H	α-helix	trans	-60.7	-37.1	175.5	175.6	0	0	0	0	112.3	E258 I259 A260	E258-V262 VanDerWaalsContact O-CG2 3.25Å; E258-V262 WeakPolarHBondContact O-CG2 3.17Å; E258-V262 PolarHBondContact O-N 3.02Å; E258-V262 VanDerWaalsContact O-N 3.12Å; I259-V262 PolarHBondContact O-N 3.42Å; A260-V262 PolarHBondContact O-N 3.49Å
263	S	56.1	Low	55.9	Low	60 Å²	60	103 Å²	103	42%	0.42	58%	0.578	S	S	.	*	H	α-helix	trans	-71.5	-41.2	179.3	-52.3	0	0	0	0	112	I259 A260 T261 E265 A266 E267	I259-S263 WeakPolarHBondContact O-CB 3.31Å; I259-S263 PolarHBondContact O-N 3.08Å; I259-S263 PolarHBondContact O-OG 3.46Å; A260-S263 PolarHBondContact O-N 3.34Å; T261-S263 VanDerWaalsContact C-N 3.29Å; T261-S263 PolarHBondContact O-N 2.91Å; S263-E265 VanDerWaalsContact C-N 3.32Å; S263-E265 PolarHBondContact O-N 2.96Å; S263-A266 WeakPolarHBondContact O-CB 3.39Å; S263-A266 PolarHBondContact O-N 3.11Å; S263-A266 VanDerWaalsContact O-N 3.11Å; S263-E267 PolarHBondContact O-N 2.94Å
264	T	50	Low	55.3	Low	90 Å²	90	105.6 Å²	105.6	55%	0.552	59%	0.59	S	S	*	*	H	α-helix	trans	-67.2	-29.9	178.7	54.4	0	0	0	0	113.3	A260 T261 A266 E267	A260-T264 WeakPolarHBondContact O-CG2 3.37Å; A260-T264 PolarHBondContact O-N 3.46Å; A260-T264 PolarHBondContact O-OG1 2.78Å; T261-T264 WeakPolarHBondContact CA-OG1 3.34Å; T261-T264 PolarHBondContact O-N 3.36Å; T261-T264 PolarHBondContact O-OG1 2.94Å; T264-A266 PolarHBondContact O-N 3.14Å; T264-E267 PolarHBondContact O-N 3.4Å
265	E	50.2	Low	55	Low	161 Å²	161	110.3 Å²	110.3	75%	0.752	61%	0.609	S	S	*	*	H	α-helix	trans	-67	-25.9	172.5	-71.7	-173.1	172.2	0	0	112.7	T261 S263	T261-E265 PolarHBondContact O-N 3.48Å; T261-E265 VanDerWaalsContact O-N 3.16Å; S263-E265 VanDerWaalsContact C-N 3.32Å; S263-E265 PolarHBondContact O-N 2.96Å
266	A	47.2	Very low	54.7	Low	89 Å²	89	115.1 Å²	115.1	74%	0.736	63%	0.63	S	S	*	*	H	α-helix	trans	-84.7	-17.1	177.3	0	0	0	0	0	113.6	S263 T264	S263-A266 WeakPolarHBondContact O-CB 3.39Å; S263-A266 PolarHBondContact O-N 3.11Å; S263-A266 VanDerWaalsContact O-N 3.11Å; T264-A266 PolarHBondContact O-N 3.14Å
267	E	42.9	Very low	54.4	Low	165 Å²	165	118.7 Å²	118.7	77%	0.771	64%	0.641	S	S	*	*			trans	-115.2	23.6	-169.9	-137.5	173.9	-168.7	0	0	114.4	S263 T264 A269	S263-E267 PolarHBondContact O-N 2.94Å; T264-E267 PolarHBondContact O-N 3.4Å; E267-A269 PolarHBondContact O-N 3.44Å
268	V	43.2	Very low	54.4	Low	126 Å²	126	116 Å²	116	76%	0.764	63%	0.629	S	S	*	*			trans	-68.3	73.3	170.8	-172.8	0	0	0	0	110.7
269	A	40.1	Very low	54.8	Low	83 Å²	83	116.6 Å²	116.6	69%	0.686	63%	0.632	S	S	*	*			trans	179.9	85.9	156.8	0	0	0	0	0	112.2	E267	E267-A269 PolarHBondContact O-N 3.44Å
270	K	45	Very low	54.9	Low	197 Å²	197	118 Å²	118	86%	0.857	64%	0.636	S	S	*	*				-178	121.4	129.6	-100.7	164.1	-169.2	-179.5	0	110.8
271	P	49.4	Very low	55.3	Low	125 Å²	125	120.4 Å²	120.4	81%	0.812	64%	0.643	S	S	*	*			trans	-75.3	123.7	165.5	22.3	-14.1	0	0	0	109.1
272	S	56.5	Low	56.1	Low	76 Å²	76	122.1 Å²	122.1	53%	0.531	65%	0.649	S	S	.	*			trans	-76.6	135.2	164.8	26.3	0	0	0	0	109.6	E278	S272-E278 PolarHBondContact OG-OE1 3.18Å
273	E	58	Low	57	Low	193 Å²	193	123.8 Å²	123.8	90%	0.902	65%	0.65	S	S	*	*			trans	-95.5	6.3	-176.7	-73.7	-175.5	154.7	0	0	113.9
274	D	58.9	Low	58	Low	87 Å²	87	125.6 Å²	125.6	47%	0.465	66%	0.655	S	S	.	*			trans	-110.5	93	-178.2	-87.2	-24.6	0	0	0	111.4	E276 K277 E278	D274-E276 VanDerWaalsContact C-N 3.29Å; D274-E276 PolarHBondContact O-N 3.41Å; D274-K277 HydrophobicContact CB-CB 4.13Å; D274-K277 HydrophobicContact CB-CD 4.02Å; D274-K277 HydrophobicContact CB-CG 4.16Å; D274-K277 PolarHBondContact O-N 3.42Å; D274-K277 VanDerWaalsContact O-N 3.11Å; D274-K277 IonicContact OD2-NZ 2.79Å; D274-K277 PolarHBondContact OD2-NZ 2.74Å; D274-E278 PolarHBondContact O-N 3.43Å
275	K	61.8	Low	59.4	Low	167 Å²	167	126 Å²	126	73%	0.726	65%	0.653	S	S	*	*	H	α-helix	trans	-57.9	-35	179.2	-70.8	-172.7	174.8	-170.8	0	114.5	K277 E278 E279	K275-K277 VanDerWaalsContact C-N 3.29Å; K275-K277 PolarHBondContact O-N 3.21Å; K275-E278 PolarHBondContact O-N 3.18Å; K275-E279 PolarHBondContact O-N 3.18Å; K275-E279 VanDerWaalsContact O-N 3.16Å
276	E	64.2	Low	60.9	Low	164 Å²	164	121 Å²	121	77%	0.766	64%	0.636	S	S	*	*	H	α-helix	trans	-67.1	-32	178.5	-70.5	179.3	174.6	0	0	111.8	D274 E280	D274-E276 VanDerWaalsContact C-N 3.29Å; D274-E276 PolarHBondContact O-N 3.41Å; E276-E280 PolarHBondContact O-N 3.36Å
277	K	62.3	Low	62.7	Low	120 Å²	120	121.1 Å²	121.1	52%	0.522	62%	0.624	S	S	.	*	H	α-helix	trans	-74	-37	174.6	-74.5	-179.2	-174.5	143.2	0	112.2	D274 K275 E279 E280 D281	D274-K277 HydrophobicContact CB-CB 4.13Å; D274-K277 HydrophobicContact CB-CD 4.02Å; D274-K277 HydrophobicContact CB-CG 4.16Å; D274-K277 PolarHBondContact O-N 3.42Å; D274-K277 VanDerWaalsContact O-N 3.11Å; D274-K277 IonicContact OD2-NZ 2.79Å; D274-K277 PolarHBondContact OD2-NZ 2.74Å; K275-K277 VanDerWaalsContact C-N 3.29Å; K275-K277 PolarHBondContact O-N 3.21Å; K277-E279 VanDerWaalsContact C-N 3.33Å; K277-E279 PolarHBondContact O-N 3.45Å; K277-E280 PolarHBondContact O-N 2.96Å; K277-D281 WeakPolarHBondContact O-CB 3.42Å; K277-D281 VanDerWaalsContact O-CG 3.27Å; K277-D281 PolarHBondContact O-N 2.91Å
278	E	62.4	Low	64.6	Low	85 Å²	85	121.3 Å²	121.3	40%	0.397	62%	0.618	S	S	.	*	H	α-helix	trans	-61.6	-41.3	175.9	-71.6	-179.3	173.3	0	0	111.4	S272 D274 K275 D282	S272-E278 PolarHBondContact OG-OE1 3.18Å; D274-E278 PolarHBondContact O-N 3.43Å; K275-E278 PolarHBondContact O-N 3.18Å; E278-D282 WeakPolarHBondContact O-CB 3.43Å; E278-D282 PolarHBondContact O-N 3.46Å
279	E	66.3	Low	66.6	Low	142 Å²	142	118.4 Å²	118.4	66%	0.664	60%	0.6	S	S	*	*	H	α-helix	trans	-66.5	-42.8	176.6	-71.7	-179.7	-176.5	0	0	112.9	K275 K277 D282 E283	K275-E279 PolarHBondContact O-N 3.18Å; K275-E279 VanDerWaalsContact O-N 3.16Å; K277-E279 VanDerWaalsContact C-N 3.33Å; K277-E279 PolarHBondContact O-N 3.45Å; E279-D282 PolarHBondContact O-N 2.91Å; E279-E283 PolarHBondContact O-N 2.85Å; E279-E283 VanDerWaalsContact O-N 3.1Å
280	E	63.6	Low	68.9	Low	131 Å²	131	120.9 Å²	120.9	61%	0.612	60%	0.598	S	S	*	*	H	α-helix	trans	-65.2	-40	175.6	-76.4	-175.1	171.3	0	0	112.5	E276 K277 E283 L284	E276-E280 PolarHBondContact O-N 3.36Å; K277-E280 PolarHBondContact O-N 2.96Å; E280-E283 PolarHBondContact O-N 3.33Å; E280-L284 WeakPolarHBondContact O-CB 3.35Å; E280-L284 WeakPolarHBondContact O-CG 3.39Å; E280-L284 PolarHBondContact O-N 3.47Å; E280-L284 VanDerWaalsContact O-N 3.08Å
281	D	68.2	Low	71	Confident	96 Å²	96	116.6 Å²	116.6	51%	0.513	58%	0.584	S	S	.	*	H	α-helix	trans	-66.4	-39.5	178.2	-75.6	-24.6	0	0	0	111.3	K277 L285	K277-D281 WeakPolarHBondContact O-CB 3.42Å; K277-D281 VanDerWaalsContact O-CG 3.27Å; K277-D281 PolarHBondContact O-N 2.91Å; D281-L285 WeakPolarHBondContact O-CB 3.37Å; D281-L285 WeakPolarHBondContact O-CD1 3.2Å; D281-L285 VanDerWaalsContact O-CG 3.28Å; D281-L285 WeakPolarHBondContact O-CG 3.38Å; D281-L285 PolarHBondContact O-N 2.95Å
282	D	75	Confident	72.9	Confident	114 Å²	114	112.8 Å²	112.8	61%	0.61	56%	0.556	S	S	*	*	H	α-helix	trans	-64.9	-43	175.3	-88.9	-7.1	0	0	0	112.3	E278 E279 L285 S286	E278-D282 WeakPolarHBondContact O-CB 3.43Å; E278-D282 PolarHBondContact O-N 3.46Å; E279-D282 PolarHBondContact O-N 2.91Å; D282-L285 PolarHBondContact O-N 3.45Å; D282-S286 PolarHBondContact O-N 3.43Å
283	E	76.8	Confident	74.5	Confident	129 Å²	129	112.4 Å²	112.4	60%	0.603	55%	0.549	S	S	*	.	H	α-helix	trans	-62	-47.2	176.3	-171.2	173.1	-170	0	0	110.8	E279 E280 L285 S286 D287	E279-E283 PolarHBondContact O-N 2.85Å; E279-E283 VanDerWaalsContact O-N 3.1Å; E280-E283 PolarHBondContact O-N 3.33Å; E283-L285 VanDerWaalsContact C-N 3.31Å; E283-L285 PolarHBondContact O-N 3.5Å; E283-S286 PolarHBondContact O-N 2.94Å; E283-S286 VanDerWaalsContact O-N 3.14Å; E283-S286 PolarHBondContact O-OG 2.75Å; E283-D287 PolarHBondContact O-N 2.71Å
284	L	76.5	Confident	76.1	Confident	98 Å²	98	106.1 Å²	106.1	51%	0.513	53%	0.53	S	S	.	.	H	α-helix	trans	-60.7	-36.8	176.3	-77.7	166.4	0	0	0	113.3	E280 R288	E280-L284 WeakPolarHBondContact O-CB 3.35Å; E280-L284 WeakPolarHBondContact O-CG 3.39Å; E280-L284 PolarHBondContact O-N 3.47Å; E280-L284 VanDerWaalsContact O-N 3.08Å; L284-R288 WeakPolarHBondContact O-CG 3.26Å; L284-R288 PolarHBondContact O-N 2.92Å
285	L	79.9	Confident	77.8	Confident	98 Å²	98	103.8 Å²	103.8	51%	0.513	52%	0.519	S	S	.	.	H	α-helix	trans	-67.1	-40.3	175.1	-81.3	161.3	0	0	0	111.6	D281 D282 E283 R288 T289	D281-L285 WeakPolarHBondContact O-CB 3.37Å; D281-L285 WeakPolarHBondContact O-CD1 3.2Å; D281-L285 VanDerWaalsContact O-CG 3.28Å; D281-L285 WeakPolarHBondContact O-CG 3.38Å; D281-L285 PolarHBondContact O-N 2.95Å; D282-L285 PolarHBondContact O-N 3.45Å; E283-L285 VanDerWaalsContact C-N 3.31Å; E283-L285 PolarHBondContact O-N 3.5Å; L285-R288 PolarHBondContact O-N 3.4Å; L285-T289 PolarHBondContact O-N 3.18Å; L285-T289 PolarHBondContact O-OG1 3.18Å
286	S	80.7	Confident	79.5	Confident	56 Å²	56	97.1 Å²	97.1	39%	0.392	49%	0.49	S	S	.	.	H	α-helix	trans	-63.9	-47.2	177.6	77	0	0	0	0	111.7	D282 E283 R288 T289 E290	D282-S286 PolarHBondContact O-N 3.43Å; E283-S286 PolarHBondContact O-N 2.94Å; E283-S286 VanDerWaalsContact O-N 3.14Å; E283-S286 PolarHBondContact O-OG 2.75Å; S286-R288 VanDerWaalsContact C-N 3.34Å; S286-R288 PolarHBondContact O-N 3.44Å; S286-T289 WeakPolarHBondContact O-CB 3.39Å; S286-T289 PolarHBondContact O-N 3.38Å; S286-E290 PolarHBondContact O-N 2.98Å
287	D	84.5	Confident	81.1	Confident	92 Å²	92	89.3 Å²	89.3	49%	0.492	45%	0.454	S	S	.	.	H	α-helix	trans	-59.1	-42.6	177	-84.5	-5.7	0	0	0	112.2	E283 T289 E290 L291	E283-D287 PolarHBondContact O-N 2.71Å; D287-T289 VanDerWaalsContact C-N 3.32Å; D287-T289 PolarHBondContact O-N 3.45Å; D287-E290 PolarHBondContact O-N 2.54Å; D287-L291 WeakPolarHBondContact O-CB 3.45Å; D287-L291 PolarHBondContact O-N 3.17Å
288	R	84.1	Confident	82.8	Confident	169 Å²	169	84.9 Å²	84.9	64%	0.638	44%	0.435	S	S	*	.	H	α-helix	trans	-63.4	-39.5	175.4	-78.2	-179.4	179.4	-174.3	4.4	112	L284 L285 S286 L291 N292	L284-R288 WeakPolarHBondContact O-CG 3.26Å; L284-R288 PolarHBondContact O-N 2.92Å; L285-R288 PolarHBondContact O-N 3.4Å; S286-R288 VanDerWaalsContact C-N 3.34Å; S286-R288 PolarHBondContact O-N 3.44Å; R288-L291 PolarHBondContact O-N 2.95Å; R288-N292 WeakPolarHBondContact O-CB 3.4Å; R288-N292 PolarHBondContact O-N 3.39Å; R288-N292 PolarHBondContact O-ND2 2.94Å; R288-N292 PolarHBondContact O-OD1 3.08Å
289	T	84.3	Confident	84.4	Confident	64 Å²	64	82.2 Å²	82.2	39%	0.393	42%	0.422	S	S	.	.	H	α-helix	trans	-66.3	-43.4	179.5	-56.5	0	0	0	0	110.7	L285 S286 D287 N292 N293	L285-T289 PolarHBondContact O-N 3.18Å; L285-T289 PolarHBondContact O-OG1 3.18Å; S286-T289 WeakPolarHBondContact O-CB 3.39Å; S286-T289 PolarHBondContact O-N 3.38Å; D287-T289 VanDerWaalsContact C-N 3.32Å; D287-T289 PolarHBondContact O-N 3.45Å; T289-N292 PolarHBondContact O-N 3.49Å; T289-N293 WeakPolarHBondContact O-CB 3.18Å; T289-N293 PolarHBondContact O-N 3.16Å; T289-N293 PolarHBondContact O-ND2 3.21Å; T289-N293 PolarHBondContact O-OD1 2.92Å
290	E	88.5	Confident	85.9	Confident	136 Å²	136	76 Å²	76	64%	0.636	39%	0.392	S	S	*	.	H	α-helix	trans	-62	-43.6	173.9	-68	-165.3	170.1	0	0	112	S286 D287 N292 N293 A294	S286-E290 PolarHBondContact O-N 2.98Å; D287-E290 PolarHBondContact O-N 2.54Å; E290-N292 PolarHBondContact O-N 2.85Å; E290-N293 PolarHBondContact O-N 3.4Å; E290-A294 WeakPolarHBondContact O-CB 3.38Å; E290-A294 PolarHBondContact O-N 3.15Å
291	L	88.8	Confident	87.5	Confident	106 Å²	106	73.8 Å²	73.8	56%	0.555	39%	0.388	S	S	*	.	H	α-helix	trans	-60.3	-44.6	175.9	-171.3	77.5	0	0	0	111.7	D287 R288 A294 T295	D287-L291 WeakPolarHBondContact O-CB 3.45Å; D287-L291 PolarHBondContact O-N 3.17Å; R288-L291 PolarHBondContact O-N 2.95Å; L291-A294 PolarHBondContact O-N 3.42Å; L291-T295 HydrophobicContact CD1-CG2 4.47Å; L291-T295 WeakPolarHBondContact O-CB 3.41Å; L291-T295 WeakPolarHBondContact O-CG2 3.44Å; L291-T295 PolarHBondContact O-N 3.46Å; L291-T295 PolarHBondContact O-OG1 3.41Å
292	N	88.9	Confident	88.9	Confident	45 Å²	45	69.4 Å²	69.4	24%	0.241	36%	0.364	C	S	.	.	H	α-helix	trans	-64.4	-43.8	177.7	-69.1	-9.7	0	0	0	110.5	R288 T289 E290 A294 T295 E296	R288-N292 WeakPolarHBondContact O-CB 3.4Å; R288-N292 PolarHBondContact O-N 3.39Å; R288-N292 PolarHBondContact O-ND2 2.94Å; R288-N292 PolarHBondContact O-OD1 3.08Å; T289-N292 PolarHBondContact O-N 3.49Å; E290-N292 PolarHBondContact O-N 2.85Å; N292-A294 PolarHBondContact O-N 2.83Å; N292-T295 PolarHBondContact O-N 2.78Å; N292-T295 VanDerWaalsContact O-N 3.15Å; N292-E296 HydrophobicContact CB-CG 4.35Å; N292-E296 VanDerWaalsContact O-CB 3.25Å; N292-E296 WeakPolarHBondContact O-CB 3.47Å; N292-E296 PolarHBondContact O-N 2.72Å
293	N	91.3	Very high	90	Very high	69 Å²	69	67 Å²	67	37%	0.369	35%	0.351	S	S	.	.	H	α-helix	trans	-60.7	-30.5	175.5	-67.8	-16.5	0	0	0	112.7	T289 E290 R299 Q300	T289-N293 WeakPolarHBondContact O-CB 3.18Å; T289-N293 PolarHBondContact O-N 3.16Å; T289-N293 PolarHBondContact O-ND2 3.21Å; T289-N293 PolarHBondContact O-OD1 2.92Å; E290-N293 PolarHBondContact O-N 3.4Å; N293-R299 WeakPolarHBondContact OD1-CD 3.33Å; N293-Q300 VanDerWaalsContact O-CG 3.29Å; N293-Q300 WeakPolarHBondContact O-CG 3.45Å
294	A	92	Very high	91	Very high	61 Å²	61	64.4 Å²	64.4	50%	0.504	34%	0.341	S	S	.	.	H	α-helix	trans	-82.8	-25.1	176.7	0	0	0	0	0	113.9	E290 L291 N292 Q300	E290-A294 WeakPolarHBondContact O-CB 3.38Å; E290-A294 PolarHBondContact O-N 3.15Å; L291-A294 PolarHBondContact O-N 3.42Å; N292-A294 PolarHBondContact O-N 2.83Å; A294-Q300 PolarHBondContact O-NE2 2.65Å
295	T	94.8	Very high	92	Very high	38 Å²	38	62.3 Å²	62.3	23%	0.233	33%	0.331	C	S	.	.	H	α-helix	trans	-117.2	-21.3	-168.7	58.8	0	0	0	0	115.1	P246 K247 S248 L291 N292	P246-T295 CarbonylContact C-O 2.98Å; P246-T295 WeakPolarHBondContact CA-O 3.34Å; K247-T295 HydrophobicContact CG-CG2 4.26Å; K247-T295 PolarHBondContact N-O 2.98Å; S248-T295 PolarHBondContact N-O 3.03Å; L291-T295 HydrophobicContact CD1-CG2 4.47Å; L291-T295 WeakPolarHBondContact O-CB 3.41Å; L291-T295 WeakPolarHBondContact O-CG2 3.44Å; L291-T295 PolarHBondContact O-N 3.46Å; L291-T295 PolarHBondContact O-OG1 3.41Å; N292-T295 PolarHBondContact O-N 2.78Å; N292-T295 VanDerWaalsContact O-N 3.15Å
296	E	97.2	Very high	92.8	Very high	27 Å²	27	62.2 Å²	62.2	13%	0.126	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-93.5	120.8	177.5	-67.4	-174.7	-172.8	0	0	110.7	G250 T251 N292 L298 R299 Q300	G250-E296 VanDerWaalsContact CA-OE2 3.32Å; G250-E296 WeakPolarHBondContact CA-OE2 3.41Å; T251-E296 PolarHBondContact N-OE2 3.09Å; N292-E296 HydrophobicContact CB-CG 4.35Å; N292-E296 VanDerWaalsContact O-CB 3.25Å; N292-E296 WeakPolarHBondContact O-CB 3.47Å; N292-E296 PolarHBondContact O-N 2.72Å; E296-L298 VanDerWaalsContact C-N 3.31Å; E296-L298 PolarHBondContact O-N 3.48Å; E296-R299 HydrophobicContact CB-CB 4.27Å; E296-R299 HydrophobicContact CB-CG 4.1Å; E296-R299 PolarHBondContact O-N 3.35Å; E296-R299 VanDerWaalsContact O-N 3.09Å; E296-R299 VanDerWaalsContact OE2-CD 3.25Å; E296-R299 WeakPolarHBondContact OE2-CD 3.05Å; E296-R299 IonicContact OE2-CZ 3.77Å; E296-R299 IonicContact OE2-NE 2.75Å; E296-R299 PolarHBondContact OE2-NE 3.33Å; E296-R299 IonicContact OE2-NH2 2.66Å; E296-Q300 WeakPolarHBondContact O-CG 3.35Å; E296-Q300 PolarHBondContact O-N 3.36Å; E296-Q300 VanDerWaalsContact O-N 3.14Å
297	L	98.2	Very high	93.6	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-48.5	-177.3	174.1	65.6	0	0	0	112.4	V241 P246 S248 I249 R299 Q300 V310 I321 F324	V241-L297 HydrophobicContact CG2-CD1 3.95Å; V241-L297 HydrophobicContact CG2-CD2 4.38Å; P246-L297 HydrophobicContact CB-CB 3.83Å; P246-L297 HydrophobicContact CB-CD1 4.45Å; P246-L297 HydrophobicContact CG-CB 4.12Å; P246-L297 HydrophobicContact CG-CD1 3.93Å; S248-L297 PolarHBondContact O-N 3.02Å; I249-L297 PolarHBondContact O-N 3.15Å; I249-L297 VanDerWaalsContact O-N 3.16Å; L297-R299 PolarHBondContact O-N 2.96Å; L297-Q300 PolarHBondContact O-N 3.02Å; L297-V310 HydrophobicContact CD1-CB 4.36Å; L297-V310 HydrophobicContact CD1-CG1 3.97Å; L297-V310 HydrophobicContact CD1-CG2 4.05Å; L297-V310 HydrophobicContact CG-CG1 4.05Å; L297-V310 VanDerWaalsContact O-CB 3.26Å; L297-V310 WeakPolarHBondContact O-CB 3.41Å; L297-V310 WeakPolarHBondContact O-CG2 3.23Å; L297-I321 HydrophobicContact CD2-CD1 3.36Å; L297-I321 HydrophobicContact CD2-CG2 4.15Å; L297-F324 HydrophobicContact CB-CE1 4.12Å; L297-F324 HydrophobicContact CD2-CD1 3.97Å; L297-F324 HydrophobicContact CD2-CE1 4.13Å
298	L	97.7	Very high	94.1	Very high	26 Å²	26	62.8 Å²	62.8	14%	0.136	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-23.8	-174.3	-63.3	-175	0	0	0	113.4	I249 G250 E296 T309 G311 L314 I321	I249-L298 HydrophobicContact CG2-CD1 3.87Å; I249-L298 HydrophobicContact CG2-CD2 4.37Å; I249-L298 HydrophobicContact CG2-CG 3.83Å; I249-L298 WeakPolarHBondContact O-CG 3.48Å; I249-L298 PolarHBondContact O-N 3.22Å; G250-L298 WeakPolarHBondContact O-CD1 3.29Å; E296-L298 VanDerWaalsContact C-N 3.31Å; E296-L298 PolarHBondContact O-N 3.48Å; L298-T309 PolarHBondContact O-OG1 3.33Å; L298-G311 PolarHBondContact O-N 3.4Å; L298-L314 HydrophobicContact CD2-CD1 3.53Å; L298-I321 HydrophobicContact CD2-CG2 3.99Å
299	R	96	Very high	94.8	Very high	30 Å²	30	55.7 Å²	55.7	11%	0.113	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-23.5	178.7	-61.8	-176.6	-179.7	-114.4	4.5	113.3	T251 N293 E296 L297 T301	T251-R299 WeakPolarHBondContact O-CG 3.34Å; N293-R299 WeakPolarHBondContact OD1-CD 3.33Å; E296-R299 HydrophobicContact CB-CB 4.27Å; E296-R299 HydrophobicContact CB-CG 4.1Å; E296-R299 PolarHBondContact O-N 3.35Å; E296-R299 VanDerWaalsContact O-N 3.09Å; E296-R299 VanDerWaalsContact OE2-CD 3.25Å; E296-R299 WeakPolarHBondContact OE2-CD 3.05Å; E296-R299 IonicContact OE2-CZ 3.77Å; E296-R299 IonicContact OE2-NE 2.75Å; E296-R299 PolarHBondContact OE2-NE 3.33Å; E296-R299 IonicContact OE2-NH2 2.66Å; L297-R299 PolarHBondContact O-N 2.96Å; R299-T301 PolarHBondContact O-N 2.88Å
300	Q	97	Very high	95.4	Very high	10 Å²	10	52.7 Å²	52.7	5%	0.047	30%	0.295	C	S	.	.	S	Bend	trans	-58.6	135.7	-178.7	-76.8	178.6	-24.9	0	0	111.1	H240 M244 N293 A294 E296 L297 F302 T309 V310	H240-Q300 WeakPolarHBondContact NE2-CB 3.26Å; H240-Q300 PolarHBondContact NE2-OE1 3.44Å; M244-Q300 PolarHBondContact O-NE2 2.87Å; M244-Q300 VanDerWaalsContact O-NE2 3.13Å; N293-Q300 VanDerWaalsContact O-CG 3.29Å; N293-Q300 WeakPolarHBondContact O-CG 3.45Å; A294-Q300 PolarHBondContact O-NE2 2.65Å; E296-Q300 WeakPolarHBondContact O-CG 3.35Å; E296-Q300 PolarHBondContact O-N 3.36Å; E296-Q300 VanDerWaalsContact O-N 3.14Å; L297-Q300 PolarHBondContact O-N 3.02Å; Q300-F302 PolarHBondContact O-N 3.16Å; Q300-T309 WeakPolarHBondContact O-CA 3.39Å; Q300-V310 PolarHBondContact O-N 2.92Å
301	T	97.2	Very high	95.8	Very high	85 Å²	85	46.6 Å²	46.6	52%	0.521	27%	0.269	S	S	.	.	B	Isolated β-bridge	trans	-57.9	126.6	168.6	-58.1	0	0	0	0	109.4	H240 R299 L303 P306	H240-T301 PolarHBondContact CE1-O 3.14Å; H240-T301 VanDerWaalsContact CE1-O 3.27Å; R299-T301 PolarHBondContact O-N 2.88Å; T301-L303 PolarHBondContact O-N 3.42Å; T301-L303 VanDerWaalsContact O-N 3.08Å; T301-P306 HydrophobicContact CG2-CB 3.75Å; T301-P306 WeakPolarHBondContact CG2-O 3.42Å
302	F	98	Very high	96.1	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.018	26%	0.255	C	S	.	.			trans	-69.8	112.8	-170.3	-177.5	-140.1	0	0	0	111.5	K236 H240 Q300 L304 D305 Q308 V310 F313	K236-F302 HydrophobicContact CB-CZ 4.11Å; H240-F302 HydrophobicContact CB-CD2 4.28Å; H240-F302 HydrophobicContact CB-CE2 4.13Å; H240-F302 AromaticContact ND1-CD2 3.61Å; Q300-F302 PolarHBondContact O-N 3.16Å; F302-L304 HydrophobicContact CD1-CB 4.49Å; F302-L304 HydrophobicContact CE1-CB 3.99Å; F302-L304 HydrophobicContact CE2-CB 4.47Å; F302-L304 HydrophobicContact CZ-CB 4Å; F302-L304 HydrophobicContact CZ-CD1 4.09Å; F302-L304 HydrophobicContact CZ-CG 4.37Å; F302-L304 PolarHBondContact O-N 3.49Å; F302-D305 HydrophobicContact CD1-CB 3.97Å; F302-D305 HydrophobicContact CE1-CB 4.48Å; F302-D305 CarbonylContact O-C 3.4Å; F302-D305 PolarHBondContact O-N 3.01Å; F302-D305 VanDerWaalsContact O-O 3.12Å; F302-Q308 HydrophobicContact CB-CG 4.35Å; F302-Q308 WeakPolarHBondContact CB-O 3.32Å; F302-Q308 HydrophobicContact CD1-CG 4.39Å; F302-Q308 PolarHBondContact N-O 2.9Å; F302-V310 HydrophobicContact CB-CG2 4.42Å; F302-V310 HydrophobicContact CD2-CG2 4.03Å; F302-F313 HydrophobicContact CD1-CB 4.15Å; F302-F313 HydrophobicContact CD1-CD2 4.05Å; F302-F313 HydrophobicContact CD1-CG 4.05Å; F302-F313 HydrophobicContact CE1-CB 4.32Å; F302-F313 HydrophobicContact CE1-CD1 4.16Å; F302-F313 AromaticContact CE1-CD2 3.5Å; F302-F313 HydrophobicContact CE1-CD2 3.5Å; F302-F313 HydrophobicContact CE1-CE1 4.39Å; F302-F313 AromaticContact CE1-CE2 3.78Å; F302-F313 HydrophobicContact CE1-CE2 3.78Å; F302-F313 AromaticContact CE1-CG 3.72Å; F302-F313 HydrophobicContact CE1-CG 3.72Å; F302-F313 HydrophobicContact CE1-CZ 4.22Å; F302-F313 HydrophobicContact CE2-CD1 4.42Å; F302-F313 AromaticContact CZ-CD1 3.98Å; F302-F313 HydrophobicContact CZ-CD1 3.98Å; F302-F313 HydrophobicContact CZ-CD2 4.09Å; F302-F313 AromaticContact CZ-CE1 4Å; F302-F313 HydrophobicContact CZ-CE1 4Å; F302-F313 HydrophobicContact CZ-CE2 4.11Å; F302-F313 HydrophobicContact CZ-CG 4.03Å; F302-F313 HydrophobicContact CZ-CZ 4.07Å
303	L	97.7	Very high	96.4	Very high	64 Å²	64	42.9 Å²	42.9	34%	0.335	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-41.1	-40.6	-179.7	-179.1	60.1	0	0	0	116	H240 M244 T301	H240-L303 HydrophobicContact CB-CB 4.39Å; H240-L303 PolarHBondContact ND1-N 3.31Å; H240-L303 VanDerWaalsContact ND1-N 3.14Å; M244-L303 HydrophobicContact CE-CD1 3.61Å; M244-L303 HydrophobicContact CE-CD2 4.34Å; M244-L303 HydrophobicContact CE-CG 4.45Å; M244-L303 HydrophobicContact CG-CB 4.09Å; M244-L303 HydrophobicContact SD-CB 4.39Å; M244-L303 HydrophobicContact SD-CD1 4Å; T301-L303 PolarHBondContact O-N 3.42Å; T301-L303 VanDerWaalsContact O-N 3.08Å
304	L	97.2	Very high	96.6	Very high	75 Å²	75	39.8 Å²	39.8	39%	0.393	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-19.4	-176.2	-64.9	176.5	0	0	0	113.4	K236 F302	K236-L304 HydrophobicContact CB-CD1 3.68Å; K236-L304 HydrophobicContact CD-CD1 4.17Å; K236-L304 HydrophobicContact CG-CD1 3.51Å; F302-L304 HydrophobicContact CD1-CB 4.49Å; F302-L304 HydrophobicContact CE1-CB 3.99Å; F302-L304 HydrophobicContact CE2-CB 4.47Å; F302-L304 HydrophobicContact CZ-CB 4Å; F302-L304 HydrophobicContact CZ-CD1 4.09Å; F302-L304 HydrophobicContact CZ-CG 4.37Å; F302-L304 PolarHBondContact O-N 3.49Å
305	D	97.6	Very high	96.7	Very high	54 Å²	54	42.8 Å²	42.8	29%	0.289	23%	0.232	S	C	.	.			trans	-150	90.2	177.4	175.5	13.9	0	0	0	109.4	F302 T307 Q308	F302-D305 HydrophobicContact CD1-CB 3.97Å; F302-D305 HydrophobicContact CE1-CB 4.48Å; F302-D305 CarbonylContact O-C 3.4Å; F302-D305 PolarHBondContact O-N 3.01Å; F302-D305 VanDerWaalsContact O-O 3.12Å; D305-T307 VanDerWaalsContact CG-OG1 3.32Å; D305-T307 PolarHBondContact O-N 3.4Å; D305-T307 WeakPolarHBondContact OD1-CB 3.48Å; D305-T307 PolarHBondContact OD1-N 2.96Å; D305-T307 PolarHBondContact OD1-OG1 3.2Å; D305-T307 PolarHBondContact OD2-OG1 3.49Å; D305-Q308 PolarHBondContact O-N 3.44Å; D305-Q308 PolarHBondContact OD2-NE2 3.41Å
306	P	97	Very high	96.6	Very high	95 Å²	95	45.8 Å²	45.8	62%	0.617	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-0.1	-175.3	-23.2	35	0	0	0	115.3	T301 Q308	T301-P306 HydrophobicContact CG2-CB 3.75Å; T301-P306 WeakPolarHBondContact CG2-O 3.42Å; P306-Q308 PolarHBondContact O-N 2.87Å
307	T	97	Very high	96.4	Very high	122 Å²	122	45.8 Å²	45.8	75%	0.748	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-10.1	177	67.5	0	0	0	0	113.4	D305	D305-T307 VanDerWaalsContact CG-OG1 3.32Å; D305-T307 PolarHBondContact O-N 3.4Å; D305-T307 WeakPolarHBondContact OD1-CB 3.48Å; D305-T307 PolarHBondContact OD1-N 2.96Å; D305-T307 PolarHBondContact OD1-OG1 3.2Å; D305-T307 PolarHBondContact OD2-OG1 3.49Å
308	Q	96.5	Very high	96.1	Very high	39 Å²	39	47.9 Å²	47.9	18%	0.182	26%	0.263	C	S	.	.	S	Bend	trans	-138.2	162.2	-179.8	60.9	-178.1	-28.1	0	0	111.6	F302 D305 P306 Q312	F302-Q308 HydrophobicContact CB-CG 4.35Å; F302-Q308 WeakPolarHBondContact CB-O 3.32Å; F302-Q308 HydrophobicContact CD1-CG 4.39Å; F302-Q308 PolarHBondContact N-O 2.9Å; D305-Q308 PolarHBondContact O-N 3.44Å; D305-Q308 PolarHBondContact OD2-NE2 3.41Å; P306-Q308 PolarHBondContact O-N 2.87Å; Q308-Q312 HydrophobicContact CB-CB 4.06Å
309	T	97.4	Very high	95.9	Very high	20 Å²	20	47.1 Å²	47.1	12%	0.123	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-83.2	166.3	169	67	0	0	0	0	111.5	L298 Q300 G311 Q312 F313	L298-T309 PolarHBondContact O-OG1 3.33Å; Q300-T309 WeakPolarHBondContact O-CA 3.39Å; T309-G311 VanDerWaalsContact C-N 3.26Å; T309-G311 PolarHBondContact O-N 3.46Å; T309-G311 PolarHBondContact OG1-N 3.37Å; T309-Q312 PolarHBondContact O-N 2.93Å; T309-Q312 WeakPolarHBondContact OG1-CG 3.4Å; T309-Q312 PolarHBondContact OG1-N 2.87Å; T309-Q312 VanDerWaalsContact OG1-N 3.13Å; T309-F313 PolarHBondContact O-N 3.18Å
310	V	97.7	Very high	95.8	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61.6	-37.6	171.5	-178	0	0	0	0	111.2	H240 L297 Q300 F302 Q312 F313 L314	H240-V310 WeakPolarHBondContact CE1-CG2 3.41Å; H240-V310 WeakPolarHBondContact NE2-CG2 3.47Å; L297-V310 HydrophobicContact CD1-CB 4.36Å; L297-V310 HydrophobicContact CD1-CG1 3.97Å; L297-V310 HydrophobicContact CD1-CG2 4.05Å; L297-V310 HydrophobicContact CG-CG1 4.05Å; L297-V310 VanDerWaalsContact O-CB 3.26Å; L297-V310 WeakPolarHBondContact O-CB 3.41Å; L297-V310 WeakPolarHBondContact O-CG2 3.23Å; Q300-V310 PolarHBondContact O-N 2.92Å; F302-V310 HydrophobicContact CB-CG2 4.42Å; F302-V310 HydrophobicContact CD2-CG2 4.03Å; V310-Q312 PolarHBondContact O-N 3.4Å; V310-F313 PolarHBondContact O-N 3.08Å; V310-L314 HydrophobicContact CG1-CD1 4.06Å; V310-L314 HydrophobicContact CG1-CG 4.39Å; V310-L314 WeakPolarHBondContact O-CB 3.31Å; V310-L314 WeakPolarHBondContact O-CG 3.49Å; V310-L314 PolarHBondContact O-N 3.39Å
311	G	96.4	Very high	95.7	Very high	9 Å²	9	50.4 Å²	50.4	9%	0.093	28%	0.276	C	S	.	.	H	α-helix	trans	-59.8	-44.6	175.8	0	0	0	0	0	112.3	L298 T309 L314 K315	L298-G311 PolarHBondContact O-N 3.4Å; T309-G311 VanDerWaalsContact C-N 3.26Å; T309-G311 PolarHBondContact O-N 3.46Å; T309-G311 PolarHBondContact OG1-N 3.37Å; G311-L314 PolarHBondContact O-N 2.94Å; G311-K315 WeakPolarHBondContact O-CB 3.44Å; G311-K315 PolarHBondContact O-N 3.18Å
312	Q	95.8	Very high	95.6	Very high	58 Å²	58	49 Å²	49	27%	0.271	26%	0.263	S	S	.	.	H	α-helix	trans	-64.9	-41.3	175.5	-74.2	171.5	-24.6	0	0	112.4	E254 Q308 T309 V310 K315 T316	E254-Q312 WeakPolarHBondContact OE1-CG 3.18Å; E254-Q312 PolarHBondContact OE1-NE2 3.35Å; E254-Q312 VanDerWaalsContact OE1-NE2 3.12Å; Q308-Q312 HydrophobicContact CB-CB 4.06Å; T309-Q312 PolarHBondContact O-N 2.93Å; T309-Q312 WeakPolarHBondContact OG1-CG 3.4Å; T309-Q312 PolarHBondContact OG1-N 2.87Å; T309-Q312 VanDerWaalsContact OG1-N 3.13Å; V310-Q312 PolarHBondContact O-N 3.4Å; Q312-K315 PolarHBondContact O-N 3.04Å; Q312-T316 WeakPolarHBondContact O-CB 3.49Å; Q312-T316 PolarHBondContact O-N 2.98Å; Q312-T316 PolarHBondContact O-OG1 3.4Å
313	F	96	Very high	95.6	Very high	14 Å²	14	50.2 Å²	50.2	6%	0.061	27%	0.27	C	S	.	.	H	α-helix	trans	-59.9	-46.4	174.7	173.5	-101.5	0	0	0	111.4	I233 K236 I237 F302 T309 V310 T316 N317	I233-F313 HydrophobicContact CG1-CZ 4.4Å; I233-F313 HydrophobicContact CG2-CE1 3.97Å; I233-F313 HydrophobicContact CG2-CZ 4.33Å; K236-F313 HydrophobicContact CB-CZ 4.49Å; K236-F313 HydrophobicContact CD-CZ 4.12Å; I237-F313 HydrophobicContact CD1-CD1 4.47Å; I237-F313 HydrophobicContact CD1-CE1 4.2Å; I237-F313 HydrophobicContact CG1-CD1 4.24Å; I237-F313 HydrophobicContact CG1-CE1 3.92Å; F302-F313 HydrophobicContact CD1-CB 4.15Å; F302-F313 HydrophobicContact CD1-CD2 4.05Å; F302-F313 HydrophobicContact CD1-CG 4.05Å; F302-F313 HydrophobicContact CE1-CB 4.32Å; F302-F313 HydrophobicContact CE1-CD1 4.16Å; F302-F313 AromaticContact CE1-CD2 3.5Å; F302-F313 HydrophobicContact CE1-CD2 3.5Å; F302-F313 HydrophobicContact CE1-CE1 4.39Å; F302-F313 AromaticContact CE1-CE2 3.78Å; F302-F313 HydrophobicContact CE1-CE2 3.78Å; F302-F313 AromaticContact CE1-CG 3.72Å; F302-F313 HydrophobicContact CE1-CG 3.72Å; F302-F313 HydrophobicContact CE1-CZ 4.22Å; F302-F313 HydrophobicContact CE2-CD1 4.42Å; F302-F313 AromaticContact CZ-CD1 3.98Å; F302-F313 HydrophobicContact CZ-CD1 3.98Å; F302-F313 HydrophobicContact CZ-CD2 4.09Å; F302-F313 AromaticContact CZ-CE1 4Å; F302-F313 HydrophobicContact CZ-CE1 4Å; F302-F313 HydrophobicContact CZ-CE2 4.11Å; F302-F313 HydrophobicContact CZ-CG 4.03Å; F302-F313 HydrophobicContact CZ-CZ 4.07Å; T309-F313 PolarHBondContact O-N 3.18Å; V310-F313 PolarHBondContact O-N 3.08Å; F313-T316 PolarHBondContact O-N 3.31Å; F313-N317 WeakPolarHBondContact CE2-ND2 3.37Å; F313-N317 PolarHBondContact O-N 3.31Å; F313-N317 PolarHBondContact O-ND2 3.39Å
314	L	95	Very high	95.6	Very high	5 Å²	5	47.8 Å²	47.8	3%	0.026	26%	0.256	C	S	.	.	H	α-helix	trans	-61.6	-48.1	177.3	-85.3	171	0	0	0	112	I237 L298 V310 G311 T316 N317 D318 C319 I321	I237-L314 HydrophobicContact CD1-CD2 3.37Å; I237-L314 HydrophobicContact CD1-CG 3.97Å; L298-L314 HydrophobicContact CD2-CD1 3.53Å; V310-L314 HydrophobicContact CG1-CD1 4.06Å; V310-L314 HydrophobicContact CG1-CG 4.39Å; V310-L314 WeakPolarHBondContact O-CB 3.31Å; V310-L314 WeakPolarHBondContact O-CG 3.49Å; V310-L314 PolarHBondContact O-N 3.39Å; G311-L314 PolarHBondContact O-N 2.94Å; L314-T316 PolarHBondContact O-N 2.94Å; L314-N317 CarbonylContact O-C 3.43Å; L314-N317 PolarHBondContact O-N 3.22Å; L314-N317 VanDerWaalsContact O-N 3.08Å; L314-D318 PolarHBondContact O-N 3.35Å; L314-D318 VanDerWaalsContact O-N 3.14Å; L314-C319 CarbonylContact C-O 3.51Å; L314-C319 WeakPolarHBondContact CB-O 3.42Å; L314-C319 HydrophobicContact CD2-CB 3.49Å; L314-C319 VanDerWaalsContact CD2-CB 3.49Å; L314-C319 PolarHBondContact O-N 3.43Å; L314-I321 HydrophobicContact CD1-CB 4.09Å; L314-I321 HydrophobicContact CD1-CG2 3.95Å
315	K	92.9	Very high	95.6	Very high	123 Å²	123	44.8 Å²	44.8	54%	0.535	24%	0.241	S	C	.	.	H	α-helix	trans	-60	-43.3	178	-171.2	173.3	-178	173	0	112.1	E254 G311 Q312 N317 D318	E254-K315 IonicContact OE2-NZ 2.7Å; E254-K315 PolarHBondContact OE2-NZ 2.94Å; G311-K315 WeakPolarHBondContact O-CB 3.44Å; G311-K315 PolarHBondContact O-N 3.18Å; Q312-K315 PolarHBondContact O-N 3.04Å; K315-N317 PolarHBondContact O-N 2.91Å; K315-D318 PolarHBondContact O-N 3.24Å
316	T	92.4	Very high	95.6	Very high	102 Å²	102	44 Å²	44	63%	0.626	23%	0.234	S	C	*	.	H	α-helix	trans	-63.1	-25.3	177	-59.9	0	0	0	0	112.8	Q312 F313 L314	Q312-T316 WeakPolarHBondContact O-CB 3.49Å; Q312-T316 PolarHBondContact O-N 2.98Å; Q312-T316 PolarHBondContact O-OG1 3.4Å; F313-T316 PolarHBondContact O-N 3.31Å; L314-T316 PolarHBondContact O-N 2.94Å
317	N	93.1	Very high	95.7	Very high	26 Å²	26	39.6 Å²	39.6	14%	0.139	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	16.1	-179.3	-69.1	-81.8	0	0	0	113.2	L228 I233 F313 L314 K315 C319	L228-N317 HydrophobicContact CD1-CB 4.23Å; L228-N317 WeakPolarHBondContact CD1-O 3.24Å; I233-N317 HydrophobicContact CD1-CB 3.76Å; I233-N317 HydrophobicContact CG1-CB 4.37Å; F313-N317 WeakPolarHBondContact CE2-ND2 3.37Å; F313-N317 PolarHBondContact O-N 3.31Å; F313-N317 PolarHBondContact O-ND2 3.39Å; L314-N317 CarbonylContact O-C 3.43Å; L314-N317 PolarHBondContact O-N 3.22Å; L314-N317 VanDerWaalsContact O-N 3.08Å; K315-N317 PolarHBondContact O-N 2.91Å; N317-C319 PolarHBondContact O-N 3.01Å; N317-C319 VanDerWaalsContact O-N 3.11Å; N317-C319 PolarHBondContact O-SG 2.8Å
318	D	92.3	Very high	95.7	Very high	45 Å²	45	34.8 Å²	34.8	24%	0.241	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.9	39.4	-177.8	-59.2	-47.7	0	0	0	114	N220 C221 S224 L314 K315	N220-D318 PolarHBondContact OD1-O 3.2Å; C221-D318 PolarHBondContact N-O 3.49Å; S224-D318 VanDerWaalsContact CA-OD2 3.28Å; S224-D318 WeakPolarHBondContact CA-OD2 3.44Å; S224-D318 WeakPolarHBondContact CB-OD2 3.47Å; S224-D318 PolarHBondContact N-OD2 2.75Å; L314-D318 PolarHBondContact O-N 3.35Å; L314-D318 VanDerWaalsContact O-N 3.14Å; K315-D318 PolarHBondContact O-N 3.24Å
319	C	93.5	Very high	95.8	Very high	10 Å²	10	34.1 Å²	34.1	7%	0.068	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	143.8	179.6	-71.4	0	0	0	0	110.7	K219 L314 N317	K219-C319 WeakPolarHBondContact O-CA 3.11Å; L314-C319 CarbonylContact C-O 3.51Å; L314-C319 WeakPolarHBondContact CB-O 3.42Å; L314-C319 HydrophobicContact CD2-CB 3.49Å; L314-C319 VanDerWaalsContact CD2-CB 3.49Å; L314-C319 PolarHBondContact O-N 3.43Å; N317-C319 PolarHBondContact O-N 3.01Å; N317-C319 VanDerWaalsContact O-N 3.11Å; N317-C319 PolarHBondContact O-SG 2.8Å
320	E	93.6	Very high	95.7	Very high	99 Å²	99	36.2 Å²	36.2	46%	0.463	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	131.8	171.7	-178.4	-179.4	-174.7	0	0	109	Y218 K219 C221 F322	Y218-E320 CarbonylContact C-O 3.56Å; Y218-E320 WeakPolarHBondContact CA-O 3.36Å; Y218-E320 VanDerWaalsContact CB-O 3.28Å; Y218-E320 WeakPolarHBondContact CB-O 3.43Å; K219-E320 PolarHBondContact N-O 3.25Å; K219-E320 PolarHBondContact O-N 3.32Å; C221-E320 WeakPolarHBondContact SG-CB 3.49Å; E320-F322 HydrophobicContact CB-CE2 4.23Å; E320-F322 HydrophobicContact CG-CD2 4.38Å; E320-F322 HydrophobicContact CG-CE2 3.94Å
321	I	95.9	Very high	95.5	Very high	9 Å²	9	38.9 Å²	38.9	5%	0.046	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	130.2	174.9	-160.6	177.2	0	0	0	109.9	I216 A217 I237 I249 L297 L298 L314 F324	I216-I321 HydrophobicContact CB-CD1 4.14Å; I216-I321 HydrophobicContact CG2-CD1 4.18Å; A217-I321 WeakPolarHBondContact O-CG1 3.3Å; I237-I321 HydrophobicContact CG2-CD1 4.14Å; I249-I321 HydrophobicContact CG2-CG2 3.65Å; L297-I321 HydrophobicContact CD2-CD1 3.36Å; L297-I321 HydrophobicContact CD2-CG2 4.15Å; L298-I321 HydrophobicContact CD2-CG2 3.99Å; L314-I321 HydrophobicContact CD1-CB 4.09Å; L314-I321 HydrophobicContact CD1-CG2 3.95Å; I321-F324 HydrophobicContact CD1-CB 4.44Å; I321-F324 HydrophobicContact CD1-CD1 4.46Å
322	F	95.3	Very high	95.2	Very high	55 Å²	55	47 Å²	47	24%	0.241	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	-34	-179.2	-83.8	-99.3	0	0	0	112.2	L137 C138 M191 A217 K219 I249 E320	L137-F322 HydrophobicContact CB-CD1 4.37Å; L137-F322 HydrophobicContact CB-CE1 4.27Å; L137-F322 HydrophobicContact CD1-CE1 3.65Å; L137-F322 HydrophobicContact CD1-CZ 4.21Å; C138-F322 HydrophobicContact CB-CB 4.06Å; M191-F322 HydrophobicContact CE-CB 3.5Å; M191-F322 VanDerWaalsContact CE-CB 3.5Å; M191-F322 HydrophobicContact CE-CD1 4.18Å; M191-F322 HydrophobicContact CE-CD2 3.46Å; M191-F322 VanDerWaalsContact CE-CD2 3.46Å; M191-F322 HydrophobicContact CE-CE2 4.27Å; M191-F322 HydrophobicContact CE-CG 3.41Å; M191-F322 VanDerWaalsContact CE-CG 3.41Å; M191-F322 HydrophobicContact SD-CD2 4.43Å; M191-F322 HydrophobicContact SD-CG 4.34Å; A217-F322 PolarHBondContact O-N 2.62Å; K219-F322 HydrophobicContact CB-CD2 4.22Å; K219-F322 HydrophobicContact CB-CE2 3.75Å; K219-F322 HydrophobicContact CD-CE2 4.45Å; I249-F322 WeakPolarHBondContact CD1-O 3.41Å; E320-F322 HydrophobicContact CB-CE2 4.23Å; E320-F322 HydrophobicContact CG-CD2 4.38Å; E320-F322 HydrophobicContact CG-CE2 3.94Å
323	D	96.6	Very high	94.6	Very high	31 Å²	31	45.8 Å²	45.8	17%	0.166	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	162.1	178	-146.9	-19.8	0	0	0	112.4	K140 L185 I216 A217	K140-D323 WeakPolarHBondContact CB-OD2 3.48Å; K140-D323 WeakPolarHBondContact CE-OD1 3.4Å; K140-D323 WeakPolarHBondContact CE-OD2 3.17Å; K140-D323 IonicContact NZ-OD1 3.58Å; K140-D323 PolarHBondContact NZ-OD1 2.98Å; K140-D323 IonicContact NZ-OD2 3.9Å; L185-D323 HydrophobicContact CD1-CB 4.02Å; L185-D323 HydrophobicContact CD2-CB 4.48Å; I216-D323 WeakPolarHBondContact CA-O 3.1Å; A217-D323 PolarHBondContact N-O 3.39Å; A217-D323 PolarHBondContact O-N 3.29Å
324	F	97.8	Very high	93.7	Very high	13 Å²	13	51.4 Å²	51.4	6%	0.057	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	154.9	169.5	68.3	-90.3	0	0	0	112.4	K140 I215 I216 V241 P246 I249 L297 I321	K140-F324 WeakPolarHBondContact CE-O 3.28Å; K140-F324 PolarHBondContact NZ-O 2.99Å; I215-F324 CarbonylContact O-C 3.55Å; I215-F324 VanDerWaalsContact O-CA 3.25Å; I215-F324 WeakPolarHBondContact O-CA 3.48Å; I216-F324 HydrophobicContact CB-CB 4.38Å; I216-F324 HydrophobicContact CG2-CB 3.74Å; V241-F324 HydrophobicContact CG1-CD2 3.74Å; V241-F324 HydrophobicContact CG1-CE2 4.25Å; V241-F324 HydrophobicContact CG1-CG 4.43Å; V241-F324 HydrophobicContact CG2-CD2 4.42Å; V241-F324 HydrophobicContact CG2-CG 4.41Å; P246-F324 HydrophobicContact CB-CE2 4.31Å; P246-F324 HydrophobicContact CB-CZ 3.8Å; P246-F324 HydrophobicContact CG-CE1 4.46Å; P246-F324 HydrophobicContact CG-CE2 3.86Å; P246-F324 HydrophobicContact CG-CZ 3.77Å; P246-F324 WeakPolarHBondContact O-CE2 3.37Å; I249-F324 HydrophobicContact CG1-CD1 3.95Å; I249-F324 HydrophobicContact CG1-CE1 3.88Å; L297-F324 HydrophobicContact CB-CE1 4.12Å; L297-F324 HydrophobicContact CD2-CD1 3.97Å; L297-F324 HydrophobicContact CD2-CE1 4.13Å; I321-F324 HydrophobicContact CD1-CB 4.44Å; I321-F324 HydrophobicContact CD1-CD1 4.46Å
325	V	97.7	Very high	92.4	Very high	11 Å²	11	59.6 Å²	59.6	7%	0.067	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	137.8	170.8	-171.2	0	0	0	0	107.6	L95 K140 T183 L185 A214 I215 F327	L95-V325 HydrophobicContact CD2-CB 4.21Å; L95-V325 HydrophobicContact CD2-CG1 3.67Å; K140-V325 HydrophobicContact CD-CG2 3.84Å; K140-V325 HydrophobicContact CG-CG2 3.99Å; T183-V325 HydrophobicContact CG2-CG1 3.9Å; T183-V325 HydrophobicContact CG2-CG2 3.81Å; L185-V325 HydrophobicContact CD1-CG2 4.33Å; A214-V325 CarbonylContact C-O 3.47Å; A214-V325 WeakPolarHBondContact CA-O 3.07Å; A214-V325 WeakPolarHBondContact CB-O 3.47Å; I215-V325 PolarHBondContact N-O 3.29Å; I215-V325 PolarHBondContact O-N 3.47Å; V325-F327 HydrophobicContact CG1-CD1 4.4Å; V325-F327 HydrophobicContact CG1-CE1 4.06Å
326	R	98	Very high	91.1	Very high	37 Å²	37	59.8 Å²	59.8	14%	0.14	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	131.3	176.3	-178.7	-167.2	175.4	-83.6	-2.9	109.4	G213 A214 V241 V242 N245	G213-R326 CarbonylContact O-C 3.55Å; G213-R326 WeakPolarHBondContact O-CA 3.33Å; A214-R326 HydrophobicContact CB-CB 4.49Å; V241-R326 HydrophobicContact CG1-CB 3.81Å; V241-R326 HydrophobicContact CG1-CG 4.18Å; V241-R326 WeakPolarHBondContact O-CD 3.43Å; V241-R326 PolarHBondContact O-NE 3.46Å; V242-R326 PolarHBondContact O-NE 3.03Å; V242-R326 VanDerWaalsContact O-NE 3.15Å; V242-R326 PolarHBondContact O-NH2 3.27Å; V242-R326 VanDerWaalsContact O-NH2 3.16Å; N245-R326 PolarHBondContact OD1-NH1 3.15Å; N245-R326 VanDerWaalsContact OD1-NH1 3.09Å
327	F	98.2	Very high	89.4	Confident	3 Å²	3	57.3 Å²	57.3	1%	0.013	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	139.9	167.9	-71	-10.5	0	0	0	110.8	I84 L95 E97 R181 T183 Y212 G213 V325	I84-F327 HydrophobicContact CD1-CB 3.65Å; I84-F327 HydrophobicContact CD1-CD2 4.2Å; I84-F327 HydrophobicContact CD1-CG 4.43Å; I84-F327 HydrophobicContact CG1-CB 4.12Å; I84-F327 HydrophobicContact CG2-CB 4.12Å; I84-F327 HydrophobicContact CG2-CD2 4.44Å; L95-F327 HydrophobicContact CB-CD2 4.39Å; L95-F327 HydrophobicContact CB-CE2 4.26Å; L95-F327 HydrophobicContact CD2-CB 3.85Å; L95-F327 HydrophobicContact CD2-CD1 3.81Å; L95-F327 HydrophobicContact CD2-CD2 3.63Å; L95-F327 HydrophobicContact CD2-CE1 4.25Å; L95-F327 HydrophobicContact CD2-CE2 4.1Å; L95-F327 HydrophobicContact CD2-CG 3.46Å; L95-F327 VanDerWaalsContact CD2-CG 3.46Å; L95-F327 HydrophobicContact CD2-CZ 4.39Å; L95-F327 HydrophobicContact CG-CB 4.36Å; L95-F327 HydrophobicContact CG-CD2 3.53Å; L95-F327 HydrophobicContact CG-CE2 3.89Å; L95-F327 HydrophobicContact CG-CG 3.91Å; L95-F327 VanDerWaalsContact O-CE2 3.29Å; L95-F327 WeakPolarHBondContact O-CE2 3.48Å; E97-F327 HydrophobicContact CB-CD2 4.33Å; R181-F327 HydrophobicContact CB-CE2 4.43Å; R181-F327 HydrophobicContact CB-CZ 4.3Å; R181-F327 HydrophobicContact CG-CD2 4.18Å; R181-F327 HydrophobicContact CG-CE1 4.44Å; R181-F327 HydrophobicContact CG-CE2 3.63Å; R181-F327 HydrophobicContact CG-CZ 3.78Å; R181-F327 VanDerWaalsContact CZ-CD1 3.42Å; T183-F327 WeakPolarHBondContact OG1-CE1 3.36Å; T183-F327 WeakPolarHBondContact OG1-CZ 3.26Å; Y212-F327 WeakPolarHBondContact CA-O 3.18Å; G213-F327 PolarHBondContact N-O 3.5Å; G213-F327 PolarHBondContact O-N 3.36Å; V325-F327 HydrophobicContact CG1-CD1 4.4Å; V325-F327 HydrophobicContact CG1-CE1 4.06Å
328	S	97.9	Very high	87.5	Confident	22 Å²	22	65.7 Å²	65.7	15%	0.154	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	140.3	156	-178.9	0	0	0	0	109.3	R181 Y212 D330 E331	R181-S328 PolarHBondContact NH2-O 3.05Å; Y212-S328 VanDerWaalsContact CE1-OG 3.23Å; Y212-S328 WeakPolarHBondContact CE1-OG 3.34Å; S328-D330 PolarHBondContact O-N 3Å; S328-E331 PolarHBondContact N-OE2 3.09Å; S328-E331 WeakPolarHBondContact O-CB 3.24Å; S328-E331 PolarHBondContact O-N 3.21Å
329	L	97.9	Very high	87.3	Confident	25 Å²	25	66.8 Å²	66.8	13%	0.131	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	138	170.9	-178.1	68.7	0	0	0	110.2	G82 E97 H211 E331	G82-L329 WeakPolarHBondContact O-CD2 3.5Å; E97-L329 HydrophobicContact CG-CD1 4.13Å; H211-L329 HydrophobicContact CB-CB 4.43Å; H211-L329 VanDerWaalsContact O-CB 3.31Å; H211-L329 WeakPolarHBondContact O-CB 3.3Å; H211-L329 PolarHBondContact O-N 2.83Å; L329-E331 PolarHBondContact O-N 3.48Å
330	D	95.8	Very high	87	Confident	64 Å²	64	69.7 Å²	69.7	34%	0.342	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	21.7	-178.7	-151.7	38.5	0	0	0	115.4	R78 S80 E97 K180 S328	R78-D330 IonicContact NH2-OD2 2.65Å; R78-D330 PolarHBondContact NH2-OD2 2.96Å; S80-D330 WeakPolarHBondContact CB-OD1 3.41Å; S80-D330 WeakPolarHBondContact CB-OD2 3.36Å; S80-D330 WeakPolarHBondContact O-CB 3.31Å; E97-D330 PolarHBondContact OE1-N 3.5Å; K180-D330 IonicContact NZ-OD1 3.7Å; S328-D330 PolarHBondContact O-N 3Å
331	E	94.2	Very high	86.6	Confident	55 Å²	55	68.1 Å²	68.1	26%	0.257	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-67.3	145.9	172.2	-164.6	170.9	-157.6	0	0	110.6	K180 R181 S328 L329	K180-E331 PolarHBondContact NZ-O 3.29Å; R181-E331 IonicContact CZ-OE2 3.44Å; R181-E331 IonicContact NH1-OE2 2.75Å; R181-E331 IonicContact NH2-OE2 3.06Å; R181-E331 PolarHBondContact NH2-OE2 2.87Å; S328-E331 PolarHBondContact N-OE2 3.09Å; S328-E331 WeakPolarHBondContact O-CB 3.24Å; S328-E331 PolarHBondContact O-N 3.21Å; L329-E331 PolarHBondContact O-N 3.48Å
332	E	89.3	Confident	86.1	Confident	181 Å²	181	71.6 Å²	71.6	85%	0.846	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-70.4	129.3	174	-71.1	-170.1	163.1	0	0	110.1
333	L	83.5	Confident	85.5	Confident	32 Å²	32	72.6 Å²	72.6	17%	0.168	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-74.7	133.4	175.1	-71.5	176.8	0	0	0	110.1	K180 R181 E337 K338	K180-L333 HydrophobicContact CG-CD1 4.43Å; R181-L333 HydrophobicContact CB-CD2 4.25Å; R181-L333 HydrophobicContact CG-CD2 4.34Å; L333-E337 HydrophobicContact CB-CB 4.25Å; L333-E337 HydrophobicContact CD2-CB 3.8Å; L333-E337 WeakPolarHBondContact CD2-OE2 3.47Å; L333-K338 HydrophobicContact CB-CG 3.84Å; L333-K338 WeakPolarHBondContact O-CE 3.17Å
334	K	77.4	Confident	84.7	Confident	132 Å²	132	75.4 Å²	75.4	57%	0.574	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-64.6	159.9	166.8	-61.8	179.8	-179.1	176.1	0	110	D336 E337 K338	K334-D336 WeakPolarHBondContact CB-OD1 3.3Å; K334-D336 PolarHBondContact O-N 3.07Å; K334-E337 HydrophobicContact CB-CG 4.31Å; K334-E337 PolarHBondContact O-N 3.42Å; K334-K338 PolarHBondContact O-N 3.44Å
335	E	67.6	Low	83.8	Confident	176 Å²	176	79.9 Å²	79.9	82%	0.822	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-59.1	-32.8	-176.9	-73	-171.6	155.9	0	0	113.4	E337	E335-E337 VanDerWaalsContact C-N 3.27Å; E335-E337 PolarHBondContact O-N 3.06Å
336	D	64.7	Low	82.7	Confident	127 Å²	127	85.2 Å²	85.2	68%	0.679	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-75.5	-11.9	175.7	58	-42.8	0	0	0	113.9	K334	K334-D336 WeakPolarHBondContact CB-OD1 3.3Å; K334-D336 PolarHBondContact O-N 3.07Å
337	E	57	Low	81.4	Confident	51 Å²	51	89.2 Å²	89.2	24%	0.238	43%	0.425	C	S	.	.	G	3₁₀ helix	trans	-104.6	-6.2	178.9	-61.5	-179.2	163.7	0	0	113.7	R181 L333 K334 E335	R181-E337 IonicContact NH1-OE2 3.43Å; L333-E337 HydrophobicContact CB-CB 4.25Å; L333-E337 HydrophobicContact CD2-CB 3.8Å; L333-E337 WeakPolarHBondContact CD2-OE2 3.47Å; K334-E337 HydrophobicContact CB-CG 4.31Å; K334-E337 PolarHBondContact O-N 3.42Å; E335-E337 VanDerWaalsContact C-N 3.27Å; E335-E337 PolarHBondContact O-N 3.06Å
338	K	54.1	Low	79.9	Confident	202 Å²	202	97 Å²	97	88%	0.878	46%	0.463	S	S	*	.			trans	-81.1	0	179.1	-76.3	178.4	-176	168.8	0	112.9	L333 K334	L333-K338 HydrophobicContact CB-CG 3.84Å; L333-K338 WeakPolarHBondContact O-CE 3.17Å; K334-K338 PolarHBondContact O-N 3.44Å

Retrieved 338 of 338 residues in 836.1 ms (Link to these results)

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