A0A077Z1K5_TRITR Loading...

Leucine Rich Repeat family protein

AlphaFold DB , UniProt , Accession A0A077Z1K5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 564 aa.

Structure Viewer

Loading PAE data...

(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	35.7	Very low	44.9	Very low	211 Å²	211	132.5 Å²	132.5	100%	1.039	67%	0.665	S	S	*	*				0	-46.2	0	-69.5	-172.5	-162.3	0	0	112.4	F3 S4 S5	M1-F3 VanDerWaalsContact C-N 3.25Å; M1-F3 PolarHBondContact O-N 3.02Å; M1-S4 PolarHBondContact O-N 2.89Å; M1-S4 PolarHBondContact O-OG 3.26Å; M1-S5 PolarHBondContact O-N 2.87Å
2	E	41.4	Very low	45.5	Very low	168 Å²	168	130.7 Å²	130.7	79%	0.785	66%	0.659	S	S	*	*	H	α-helix	trans	-60.2	-30	177.4	-74.6	-173.5	143.3	0	0	114.8	S5	E2-S5 PolarHBondContact O-OG 2.77Å; E2-S5 VanDerWaalsContact O-OG 3.04Å
3	F	38.7	Very low	46.2	Very low	165 Å²	165	132.5 Å²	132.5	72%	0.724	67%	0.669	S	S	*	*	H	α-helix	trans	-72.4	-31.7	177.9	-128	-91.9	0	0	0	113	M1 L7	M1-F3 VanDerWaalsContact C-N 3.25Å; M1-F3 PolarHBondContact O-N 3.02Å; F3-L7 HydrophobicContact CD1-CD1 4.2Å
4	S	41.6	Very low	46.5	Very low	70 Å²	70	126.5 Å²	126.5	49%	0.49	66%	0.657	S	S	.	*	H	α-helix	trans	-75.5	-33.6	179	71.9	0	0	0	0	111.9	M1 K6 L7 S8	M1-S4 PolarHBondContact O-N 2.89Å; M1-S4 PolarHBondContact O-OG 3.26Å; S4-K6 VanDerWaalsContact C-N 3.32Å; S4-K6 PolarHBondContact O-N 3.14Å; S4-L7 PolarHBondContact O-N 3.28Å; S4-S8 PolarHBondContact O-N 3.19Å
5	S	49.3	Very low	46.6	Very low	73 Å²	73	123.1 Å²	123.1	51%	0.51	64%	0.635	S	S	.	*	H	α-helix	trans	-68.3	-30.2	178	70.1	0	0	0	0	112.8	M1 E2 S8	M1-S5 PolarHBondContact O-N 2.87Å; E2-S5 PolarHBondContact O-OG 2.77Å; E2-S5 VanDerWaalsContact O-OG 3.04Å; S5-S8 PolarHBondContact O-OG 3.17Å
6	K	49.8	Very low	47	Very low	176 Å²	176	120.9 Å²	120.9	77%	0.765	63%	0.631	S	S	*	*	H	α-helix	trans	-74.7	-26.3	174.2	-77.1	-174.5	177	177.1	0	113.4	S4	S4-K6 VanDerWaalsContact C-N 3.32Å; S4-K6 PolarHBondContact O-N 3.14Å
7	L	43.3	Very low	47.9	Very low	53 Å²	53	120.4 Å²	120.4	28%	0.277	63%	0.628	S	S	.	*	H	α-helix	trans	-83.6	-25.1	-176.7	-80.3	162.3	0	0	0	113.7	F3 S4 N9 S10 K15 A19	F3-L7 HydrophobicContact CD1-CD1 4.2Å; S4-L7 PolarHBondContact O-N 3.28Å; L7-N9 PolarHBondContact O-N 2.87Å; L7-S10 PolarHBondContact O-N 2.66Å; L7-K15 HydrophobicContact CD2-CB 4.3Å; L7-K15 HydrophobicContact CD2-CD 3.78Å; L7-K15 HydrophobicContact CD2-CG 4.1Å; L7-A19 HydrophobicContact CD1-CB 4.35Å
8	S	48.6	Very low	48.6	Very low	95 Å²	95	121.8 Å²	121.8	66%	0.664	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	-15.5	179.6	62.1	0	0	0	0	114.2	S4 S5	S4-S8 PolarHBondContact O-N 3.19Å; S5-S8 PolarHBondContact O-OG 3.17Å
9	N	49	Very low	49.4	Very low	153 Å²	153	116.7 Å²	116.7	82%	0.818	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	7.5	-177.1	-88.4	-2.6	0	0	0	115.4	L7	L7-N9 PolarHBondContact O-N 2.87Å
10	S	44.1	Very low	50.1	Low	41 Å²	41	114 Å²	114	29%	0.287	60%	0.602	S	S	.	*	S	Bend	trans	-119.2	123.9	174.6	69.2	0	0	0	0	112.3	L7 D12 K15	L7-S10 PolarHBondContact O-N 2.66Å; S10-D12 PolarHBondContact O-N 2.89Å; S10-K15 WeakPolarHBondContact OG-CD 3.25Å; S10-K15 WeakPolarHBondContact OG-CE 3.41Å; S10-K15 PolarHBondContact OG-NZ 3.21Å
11	R	52.7	Low	50.8	Low	252 Å²	252	112.9 Å²	112.9	95%	0.951	60%	0.596	S	S	*	*			trans	-69.7	33.4	-175.9	-75.4	-177.3	170.8	177.8	-2.6	115.2
12	D	51.9	Low	52.3	Low	111 Å²	111	106.8 Å²	106.8	59%	0.594	57%	0.567	S	S	*	*			trans	-102.1	112.8	172.9	-84.9	-40.3	0	0	0	110.5	S10 G14 K15	S10-D12 PolarHBondContact O-N 2.89Å; D12-G14 PolarHBondContact O-N 3.24Å; D12-K15 HydrophobicContact CB-CD 4.39Å; D12-K15 PolarHBondContact O-N 2.83Å
13	I	54.3	Low	53.5	Low	154 Å²	154	102.8 Å²	102.8	79%	0.79	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.9	-19.2	-174.3	-63.9	166.5	0	0	0	112.6	P16	I13-P16 WeakPolarHBondContact O-CD 3.45Å
14	G	50.1	Low	54.3	Low	49 Å²	49	97.6 Å²	97.6	51%	0.505	54%	0.538	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-22.5	175.8	0	0	0	0	0	115.7	D12 F18	D12-G14 PolarHBondContact O-N 3.24Å; G14-F18 PolarHBondContact O-N 3.15Å
15	K	48.5	Very low	54.9	Low	76 Å²	76	101.1 Å²	101.1	33%	0.33	55%	0.545	S	S	.	.	H	α-helix	trans	-69.9	-38.6	-175.6	-77.7	175.2	177.6	-177	0	116	L7 S10 D12 I17 F18 A19	L7-K15 HydrophobicContact CD2-CB 4.3Å; L7-K15 HydrophobicContact CD2-CD 3.78Å; L7-K15 HydrophobicContact CD2-CG 4.1Å; S10-K15 WeakPolarHBondContact OG-CD 3.25Å; S10-K15 WeakPolarHBondContact OG-CE 3.41Å; S10-K15 PolarHBondContact OG-NZ 3.21Å; D12-K15 HydrophobicContact CB-CD 4.39Å; D12-K15 PolarHBondContact O-N 2.83Å; K15-I17 VanDerWaalsContact C-N 3.31Å; K15-I17 PolarHBondContact O-N 3.38Å; K15-F18 PolarHBondContact O-N 2.87Å; K15-A19 WeakPolarHBondContact O-CB 3.43Å; K15-A19 PolarHBondContact O-N 2.86Å
16	P	52.4	Low	55	Low	87 Å²	87	102 Å²	102	57%	0.565	54%	0.543	S	S	*	.	H	α-helix	trans	-65	-34.4	177.8	20.5	-30.3	0	0	0	112.7	I13 A19 A20	I13-P16 WeakPolarHBondContact O-CD 3.45Å; P16-A19 PolarHBondContact O-N 3.41Å; P16-A20 WeakPolarHBondContact O-CB 3.36Å; P16-A20 PolarHBondContact O-N 2.74Å
17	I	63	Low	54.9	Low	112 Å²	112	96.8 Å²	96.8	57%	0.574	53%	0.526	S	S	*	.	H	α-helix	trans	-66	-44.8	174.6	-60.7	175	0	0	0	110.1	K15 A19 A20 L21	K15-I17 VanDerWaalsContact C-N 3.31Å; K15-I17 PolarHBondContact O-N 3.38Å; I17-A19 VanDerWaalsContact C-N 3.34Å; I17-A19 PolarHBondContact O-N 3.33Å; I17-A20 PolarHBondContact O-N 2.99Å; I17-L21 HydrophobicContact CG2-CD1 3.96Å; I17-L21 WeakPolarHBondContact O-CB 3.45Å; I17-L21 WeakPolarHBondContact O-CG 3.43Å; I17-L21 PolarHBondContact O-N 2.87Å
18	F	60.3	Low	54.9	Low	146 Å²	146	97.4 Å²	97.4	64%	0.64	54%	0.535	S	S	*	.	H	α-helix	trans	-62.4	-41.9	177.3	-138.7	-85.4	0	0	0	111.8	G14 K15 L21 L22	G14-F18 PolarHBondContact O-N 3.15Å; K15-F18 PolarHBondContact O-N 2.87Å; F18-L21 PolarHBondContact O-N 2.92Å; F18-L22 HydrophobicContact CD1-CD1 4.26Å; F18-L22 HydrophobicContact CE1-CD1 4.25Å; F18-L22 VanDerWaalsContact O-CB 3.3Å; F18-L22 WeakPolarHBondContact O-CB 3.25Å; F18-L22 PolarHBondContact O-N 3.26Å
19	A	64.1	Low	54.6	Low	26 Å²	26	100.5 Å²	100.5	22%	0.215	53%	0.533	C	S	.	.	H	α-helix	trans	-65.1	-41.9	176.8	0	0	0	0	0	112.2	L7 K15 P16 I17 L22 V23	L7-A19 HydrophobicContact CD1-CB 4.35Å; K15-A19 WeakPolarHBondContact O-CB 3.43Å; K15-A19 PolarHBondContact O-N 2.86Å; P16-A19 PolarHBondContact O-N 3.41Å; I17-A19 VanDerWaalsContact C-N 3.34Å; I17-A19 PolarHBondContact O-N 3.33Å; A19-L22 PolarHBondContact O-N 3.29Å; A19-V23 VanDerWaalsContact O-CG2 3.29Å; A19-V23 WeakPolarHBondContact O-CG2 3.24Å; A19-V23 PolarHBondContact O-N 2.89Å
20	A	62.9	Low	54.2	Low	62 Å²	62	98.6 Å²	98.6	51%	0.512	52%	0.522	S	S	.	.	H	α-helix	trans	-64.6	-43.4	176.2	0	0	0	0	0	111.8	P16 I17 V23 S24	P16-A20 WeakPolarHBondContact O-CB 3.36Å; P16-A20 PolarHBondContact O-N 2.74Å; I17-A20 PolarHBondContact O-N 2.99Å; A20-V23 PolarHBondContact O-N 3.2Å; A20-S24 WeakPolarHBondContact O-CB 3.45Å; A20-S24 PolarHBondContact O-N 2.92Å
21	L	65.6	Low	53.9	Low	91 Å²	91	102 Å²	102	48%	0.476	54%	0.537	S	S	.	.	H	α-helix	trans	-61.4	-43.8	173.6	-77.1	167.3	0	0	0	111.2	I17 F18 S24 F25	I17-L21 HydrophobicContact CG2-CD1 3.96Å; I17-L21 WeakPolarHBondContact O-CB 3.45Å; I17-L21 WeakPolarHBondContact O-CG 3.43Å; I17-L21 PolarHBondContact O-N 2.87Å; F18-L21 PolarHBondContact O-N 2.92Å; L21-S24 WeakPolarHBondContact CA-OG 3.27Å; L21-S24 PolarHBondContact O-N 2.89Å; L21-S24 PolarHBondContact O-OG 2.86Å; L21-F25 WeakPolarHBondContact O-CB 3.25Å; L21-F25 PolarHBondContact O-N 3.35Å
22	L	67.1	Low	53.3	Low	83 Å²	83	91.8 Å²	91.8	44%	0.435	51%	0.507	S	S	.	.	H	α-helix	trans	-66.2	-39.1	179.3	-145.8	116.9	0	0	0	112.1	F18 A19 F25 L26	F18-L22 HydrophobicContact CD1-CD1 4.26Å; F18-L22 HydrophobicContact CE1-CD1 4.25Å; F18-L22 VanDerWaalsContact O-CB 3.3Å; F18-L22 WeakPolarHBondContact O-CB 3.25Å; F18-L22 PolarHBondContact O-N 3.26Å; A19-L22 PolarHBondContact O-N 3.29Å; L22-F25 PolarHBondContact O-N 3.2Å; L22-L26 HydrophobicContact CD2-CD1 3.83Å; L22-L26 VanDerWaalsContact O-CB 3.29Å; L22-L26 WeakPolarHBondContact O-CB 3.49Å; L22-L26 WeakPolarHBondContact O-CG 3Å; L22-L26 PolarHBondContact O-N 3.11Å
23	V	65.9	Low	52.9	Low	83 Å²	83	91.1 Å²	91.1	50%	0.503	50%	0.503	S	S	.	.	H	α-helix	trans	-65.4	-43.5	173.1	172	0	0	0	0	110.2	A19 A20 F25 L26 T27	A19-V23 VanDerWaalsContact O-CG2 3.29Å; A19-V23 WeakPolarHBondContact O-CG2 3.24Å; A19-V23 PolarHBondContact O-N 2.89Å; A20-V23 PolarHBondContact O-N 3.2Å; V23-F25 VanDerWaalsContact C-N 3.31Å; V23-F25 PolarHBondContact O-N 2.91Å; V23-L26 PolarHBondContact O-N 2.88Å; V23-T27 HydrophobicContact CG1-CG2 4.33Å; V23-T27 WeakPolarHBondContact O-CB 3.2Å; V23-T27 WeakPolarHBondContact O-CG2 3.12Å; V23-T27 PolarHBondContact O-N 3.08Å; V23-T27 PolarHBondContact O-OG1 3.41Å
24	S	55.7	Low	52.8	Low	57 Å²	57	87.8 Å²	87.8	40%	0.399	48%	0.484	S	S	.	.	H	α-helix	trans	-64	-36.1	176.3	78.6	0	0	0	0	112.7	A20 L21 T27 S28	A20-S24 WeakPolarHBondContact O-CB 3.45Å; A20-S24 PolarHBondContact O-N 2.92Å; L21-S24 WeakPolarHBondContact CA-OG 3.27Å; L21-S24 PolarHBondContact O-N 2.89Å; L21-S24 PolarHBondContact O-OG 2.86Å; S24-T27 WeakPolarHBondContact CA-OG1 3.34Å; S24-T27 PolarHBondContact O-OG1 3.24Å; S24-S28 VanDerWaalsContact O-CB 3.23Å; S24-S28 WeakPolarHBondContact O-CB 3.46Å; S24-S28 PolarHBondContact O-N 3.27Å; S24-S28 PolarHBondContact O-OG 2.8Å
25	F	53.4	Low	53.2	Low	144 Å²	144	86.1 Å²	86.1	63%	0.632	47%	0.467	S	S	*	.	H	α-helix	trans	-70.3	-40.4	173.9	-106.4	-85.8	0	0	0	111.2	L21 L22 V23 S28 Y29	L21-F25 WeakPolarHBondContact O-CB 3.25Å; L21-F25 PolarHBondContact O-N 3.35Å; L22-F25 PolarHBondContact O-N 3.2Å; V23-F25 VanDerWaalsContact C-N 3.31Å; V23-F25 PolarHBondContact O-N 2.91Å; F25-S28 PolarHBondContact O-OG 2.84Å; F25-Y29 WeakPolarHBondContact O-CB 3.45Å; F25-Y29 PolarHBondContact O-N 3.3Å
26	L	53.1	Low	54	Low	90 Å²	90	84 Å²	84	47%	0.471	46%	0.462	S	S	.	.	H	α-helix	trans	-71.3	-37.2	177.8	-75.9	169.9	0	0	0	111.8	L22 V23 Y29 L30	L22-L26 HydrophobicContact CD2-CD1 3.83Å; L22-L26 VanDerWaalsContact O-CB 3.29Å; L22-L26 WeakPolarHBondContact O-CB 3.49Å; L22-L26 WeakPolarHBondContact O-CG 3Å; L22-L26 PolarHBondContact O-N 3.11Å; V23-L26 PolarHBondContact O-N 2.88Å; L26-Y29 PolarHBondContact O-N 3.15Å; L26-L30 VanDerWaalsContact O-CB 3.24Å; L26-L30 WeakPolarHBondContact O-CB 3.47Å; L26-L30 WeakPolarHBondContact O-CD1 3.14Å; L26-L30 WeakPolarHBondContact O-CG 3.47Å; L26-L30 PolarHBondContact O-N 3.44Å
27	T	46.6	Very low	54.8	Low	67 Å²	67	80.8 Å²	80.8	41%	0.411	44%	0.441	S	S	.	.	H	α-helix	trans	-72.2	-37.1	173.6	52.7	0	0	0	0	111.3	V23 S24 Y29 N31	V23-T27 HydrophobicContact CG1-CG2 4.33Å; V23-T27 WeakPolarHBondContact O-CB 3.2Å; V23-T27 WeakPolarHBondContact O-CG2 3.12Å; V23-T27 PolarHBondContact O-N 3.08Å; V23-T27 PolarHBondContact O-OG1 3.41Å; S24-T27 WeakPolarHBondContact CA-OG1 3.34Å; S24-T27 PolarHBondContact O-OG1 3.24Å; T27-Y29 VanDerWaalsContact C-N 3.32Å; T27-N31 WeakPolarHBondContact O-CB 3.12Å; T27-N31 PolarHBondContact O-N 3.04Å; T27-N31 PolarHBondContact O-ND2 2.93Å
28	S	44.5	Very low	54.9	Low	66 Å²	66	81.8 Å²	81.8	46%	0.462	45%	0.445	S	S	.	.	H	α-helix	trans	-65.4	-37.3	170.6	83.1	0	0	0	0	111.3	S24 F25 N31 A32	S24-S28 VanDerWaalsContact O-CB 3.23Å; S24-S28 WeakPolarHBondContact O-CB 3.46Å; S24-S28 PolarHBondContact O-N 3.27Å; S24-S28 PolarHBondContact O-OG 2.8Å; F25-S28 PolarHBondContact O-OG 2.84Å; S28-N31 CarbonylContact O-C 3.58Å; S28-A32 WeakPolarHBondContact O-CA 3.13Å; S28-A32 WeakPolarHBondContact O-CB 3.17Å; S28-A32 PolarHBondContact O-N 2.59Å
29	Y	42.2	Very low	55.2	Low	161 Å²	161	80.5 Å²	80.5	63%	0.631	44%	0.444	S	S	*	.	H	α-helix	trans	-70.9	-40.4	177.1	-162.8	-93.7	0	0	0	112.4	F25 L26 T27 A32 L33	F25-Y29 WeakPolarHBondContact O-CB 3.45Å; F25-Y29 PolarHBondContact O-N 3.3Å; L26-Y29 PolarHBondContact O-N 3.15Å; T27-Y29 VanDerWaalsContact C-N 3.32Å; Y29-A32 WeakPolarHBondContact O-CB 3.45Å; Y29-A32 PolarHBondContact O-N 3.45Å; Y29-L33 PolarHBondContact O-N 3.23Å
30	L	40.3	Very low	55.6	Low	112 Å²	112	79.5 Å²	79.5	59%	0.586	44%	0.435	S	S	*	.	H	α-helix	trans	-66.8	-41.9	173.8	-76.7	165.3	0	0	0	111.1	L26 A32 L33	L26-L30 VanDerWaalsContact O-CB 3.24Å; L26-L30 WeakPolarHBondContact O-CB 3.47Å; L26-L30 WeakPolarHBondContact O-CD1 3.14Å; L26-L30 WeakPolarHBondContact O-CG 3.47Å; L26-L30 PolarHBondContact O-N 3.44Å; L30-A32 VanDerWaalsContact C-N 3.27Å; L30-A32 PolarHBondContact O-N 3.12Å; L30-L33 HydrophobicContact CD2-CD1 4.42Å; L30-L33 PolarHBondContact O-N 3.19Å
31	N	37.6	Very low	55.6	Low	112 Å²	112	79.3 Å²	79.3	60%	0.599	42%	0.424	S	S	*	.	H	α-helix	trans	-70.6	-25.1	172.3	-68.5	-14.9	0	0	0	111.9	T27 S28 L33 Q34	T27-N31 WeakPolarHBondContact O-CB 3.12Å; T27-N31 PolarHBondContact O-N 3.04Å; T27-N31 PolarHBondContact O-ND2 2.93Å; S28-N31 CarbonylContact O-C 3.58Å; N31-L33 PolarHBondContact O-N 3.28Å; N31-Q34 WeakPolarHBondContact O-CG 3.33Å
32	A	39.4	Very low	55.6	Low	39 Å²	39	84.9 Å²	84.9	32%	0.322	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-9.7	175.5	0	0	0	0	0	113.4	S28 Y29 L30 Q34 Y67	S28-A32 WeakPolarHBondContact O-CA 3.13Å; S28-A32 WeakPolarHBondContact O-CB 3.17Å; S28-A32 PolarHBondContact O-N 2.59Å; Y29-A32 WeakPolarHBondContact O-CB 3.45Å; Y29-A32 PolarHBondContact O-N 3.45Å; L30-A32 VanDerWaalsContact C-N 3.27Å; L30-A32 PolarHBondContact O-N 3.12Å; A32-Q34 VanDerWaalsContact C-N 3.25Å; A32-Q34 PolarHBondContact O-N 2.89Å; A32-Y67 HydrophobicContact CB-CD1 4.02Å; A32-Y67 HydrophobicContact CB-CE1 3.87Å
33	L	43.2	Very low	55.9	Low	96 Å²	96	88 Å²	88	50%	0.503	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	3.4	174.2	-73.6	165.5	0	0	0	114	Y29 L30 N31 G35	Y29-L33 PolarHBondContact O-N 3.23Å; L30-L33 HydrophobicContact CD2-CD1 4.42Å; L30-L33 PolarHBondContact O-N 3.19Å; N31-L33 PolarHBondContact O-N 3.28Å; L33-G35 PolarHBondContact O-N 3.41Å
34	Q	53	Low	56.8	Low	84 Å²	84	84.6 Å²	84.6	39%	0.393	43%	0.43	S	S	.	.			trans	-69.3	34.6	174.4	-72.7	-174.2	-29	0	0	114.5	N31 A32	N31-Q34 WeakPolarHBondContact O-CG 3.33Å; A32-Q34 VanDerWaalsContact C-N 3.25Å; A32-Q34 PolarHBondContact O-N 2.89Å
35	G	59.6	Low	58.4	Low	15 Å²	15	82 Å²	82	16%	0.155	41%	0.412	C	S	.	.	S	Bend	trans	-104.1	-175.5	172.4	0	0	0	0	0	111.8	L33 S65	L33-G35 PolarHBondContact O-N 3.41Å; G35-S65 WeakPolarHBondContact CA-OG 3.49Å
36	C	64.7	Low	60	Low	32 Å²	32	76.5 Å²	76.5	22%	0.216	39%	0.391	C	S	.	.			trans	-58	130.1	176.3	-175.8	0	0	0	0	112.2	M38 M40 C47 M71	C36-M38 PolarHBondContact O-N 3.36Å; C36-M40 VanDerWaalsContact SG-CB 3.53Å; C36-C47 HydrophobicContact CB-CB 3.75Å; C36-C47 WeakPolarHBondContact CB-SG 3.28Å; C36-C47 WeakPolarHBondContact SG-CB 3.26Å; C36-C47 CovalentContact SG-SG 1.93Å; C36-C47 PolarHBondContact SG-SG 3.47Å; C36-M71 HydrophobicContact CB-CE 3.33Å
37	P	69.4	Low	61.5	Low	18 Å²	18	73 Å²	73	12%	0.117	37%	0.373	C	S	.	.			trans	-52	128.6	169.4	-23.1	31.9	0	0	0	110.2	N39 M40 P90 L91	P37-N39 VanDerWaalsContact CB-OD1 3.3Å; P37-N39 WeakPolarHBondContact CB-OD1 3.48Å; P37-N39 PolarHBondContact O-N 2.88Å; P37-M40 HydrophobicContact CG-SD 4.41Å; P37-M40 WeakPolarHBondContact O-CB 3.35Å; P37-M40 PolarHBondContact O-N 3.1Å; P37-P90 HydrophobicContact CB-CB 3.8Å; P37-P90 HydrophobicContact CG-CB 3.79Å; P37-L91 HydrophobicContact CG-CD2 3.97Å
38	M	64.1	Low	62.9	Low	134 Å²	134	74.2 Å²	74.2	66%	0.66	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-54.1	-27.2	-177.2	-76.8	-118.3	-84.3	0	0	113.5	C36 M40 F64	C36-M38 PolarHBondContact O-N 3.36Å; M38-M40 VanDerWaalsContact C-N 3.32Å; M38-M40 PolarHBondContact O-N 2.93Å; M38-F64 HydrophobicContact SD-CE1 4.23Å; M38-F64 HydrophobicContact SD-CZ 4.21Å
39	N	67	Low	64.1	Low	119 Å²	119	71.9 Å²	71.9	64%	0.636	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-76	-8.7	177	36	-25.7	0	0	0	114.7	P37	P37-N39 VanDerWaalsContact CB-OD1 3.3Å; P37-N39 WeakPolarHBondContact CB-OD1 3.48Å; P37-N39 PolarHBondContact O-N 2.88Å
40	M	72.4	Confident	65	Low	4 Å²	4	66.4 Å²	66.4	2%	0.02	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-96.9	22.7	175.8	-98.6	-177.7	146.3	0	0	113.5	C36 P37 M38 R42 C45 T46 C47 V73 S87 L88 L91	C36-M40 VanDerWaalsContact SG-CB 3.53Å; P37-M40 HydrophobicContact CG-SD 4.41Å; P37-M40 WeakPolarHBondContact O-CB 3.35Å; P37-M40 PolarHBondContact O-N 3.1Å; M38-M40 VanDerWaalsContact C-N 3.32Å; M38-M40 PolarHBondContact O-N 2.93Å; M40-R42 VanDerWaalsContact C-N 3.34Å; M40-C45 HydrophobicContact CE-CB 3.7Å; M40-T46 VanDerWaalsContact O-CA 3.31Å; M40-T46 WeakPolarHBondContact O-CA 3.34Å; M40-C47 HydrophobicContact CB-CB 4.36Å; M40-C47 PolarHBondContact O-N 3.22Å; M40-C47 PolarHBondContact O-SG 3.09Å; M40-C47 VanDerWaalsContact O-SG 3.34Å; M40-V73 HydrophobicContact CE-CG1 3.96Å; M40-S87 WeakPolarHBondContact CE-O 3.24Å; M40-L88 HydrophobicContact CE-CD2 3.87Å; M40-L91 HydrophobicContact CE-CD1 3.4Å; M40-L91 VanDerWaalsContact CE-CD1 3.4Å; M40-L91 HydrophobicContact CE-CG 3.8Å; M40-L91 HydrophobicContact SD-CD1 3.65Å; M40-L91 HydrophobicContact SD-CD2 3.73Å; M40-L91 HydrophobicContact SD-CG 3.51Å; M40-L91 VanDerWaalsContact SD-CG 3.51Å
41	Q	63.2	Low	65.9	Low	58 Å²	58	65.7 Å²	65.7	27%	0.271	33%	0.333	S	S	.	.	S	Bend	trans	-91	3.1	173.1	-64.3	-176.6	-7.1	0	0	113.1	Y62	Q41-Y62 HydrophobicContact CB-CD1 4.19Å; Q41-Y62 HydrophobicContact CB-CE1 4.4Å; Q41-Y62 HydrophobicContact CB-CG 4.43Å; Q41-Y62 VanDerWaalsContact CD-CB 3.47Å; Q41-Y62 HydrophobicContact CG-CD1 4.16Å; Q41-Y62 HydrophobicContact CG-CG 4.21Å; Q41-Y62 VanDerWaalsContact NE2-CB 3.27Å
42	R	65.9	Low	66.5	Low	209 Å²	209	66.9 Å²	66.9	79%	0.789	33%	0.329	S	S	*	.	S	Bend	trans	-131.1	159.6	-177.3	-65.5	-174.7	-178.4	-175.3	0	111	M40 C45	M40-R42 VanDerWaalsContact C-N 3.34Å; R42-C45 CarbonylContact O-C 3.51Å
43	E	73.5	Confident	66.7	Low	148 Å²	148	72.7 Å²	72.7	69%	0.692	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	147.6	170.9	-76.1	-178.5	178	0	0	111.7	A77	E43-A77 HydrophobicContact CB-CB 4.18Å; E43-A77 HydrophobicContact CG-CB 3.95Å
44	P	84.5	Confident	66.5	Low	11 Å²	11	72.5 Å²	72.5	7%	0.071	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	cis	-92.1	-11	11	35.7	-37.6	0	0	0	115.8	C75 N76 A77 A78 E83 S87	P44-C75 WeakPolarHBondContact O-CA 3.29Å; P44-N76 PolarHBondContact O-N 3.4Å; P44-A77 VanDerWaalsContact CB-C 3.43Å; P44-A77 HydrophobicContact CB-CB 4.1Å; P44-A78 HydrophobicContact CB-CB 3.88Å; P44-A78 VanDerWaalsContact CB-N 3.3Å; P44-A78 HydrophobicContact CG-CB 4.2Å; P44-E83 HydrophobicContact CG-CG 4.11Å; P44-S87 WeakPolarHBondContact CD-OG 2.95Å; P44-S87 WeakPolarHBondContact CG-OG 3.48Å
45	C	88.9	Confident	65.6	Low	2 Å²	2	75.5 Å²	75.5	1%	0.014	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	123.4	-178.6	-67.8	0	0	0	0	111.3	M40 R42 H74 C75	M40-C45 HydrophobicContact CE-CB 3.7Å; R42-C45 CarbonylContact O-C 3.51Å; C45-H74 CarbonylContact C-O 3.51Å; C45-H74 VanDerWaalsContact CA-O 3.31Å; C45-H74 WeakPolarHBondContact CA-O 3.4Å; C45-C75 HydrophobicContact CB-CB 4.14Å; C45-C75 WeakPolarHBondContact CB-SG 3.31Å; C45-C75 WeakPolarHBondContact SG-CB 3Å; C45-C75 CovalentContact SG-SG 2.04Å; C45-C75 PolarHBondContact SG-SG 3.38Å
46	T	86.3	Confident	64.3	Low	30 Å²	30	82.2 Å²	82.2	18%	0.184	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	150.9	176.9	52.1	0	0	0	0	111.6	M40 F48 V73 H74	M40-T46 VanDerWaalsContact O-CA 3.31Å; M40-T46 WeakPolarHBondContact O-CA 3.34Å; T46-F48 VanDerWaalsContact OG1-CE2 3.23Å; T46-F48 WeakPolarHBondContact OG1-CE2 3.26Å; T46-F48 WeakPolarHBondContact OG1-CZ 3.1Å; T46-V73 CarbonylContact O-C 3.59Å; T46-V73 WeakPolarHBondContact O-CA 3.38Å; T46-H74 PolarHBondContact N-O 3.24Å; T46-H74 PolarHBondContact O-N 3.14Å
47	C	84.5	Confident	62.8	Low	15 Å²	15	85.3 Å²	85.3	10%	0.101	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	145.2	-176	58.2	0	0	0	0	110.7	C36 M40 M71 I72	C36-C47 HydrophobicContact CB-CB 3.75Å; C36-C47 WeakPolarHBondContact CB-SG 3.28Å; C36-C47 WeakPolarHBondContact SG-CB 3.26Å; C36-C47 CovalentContact SG-SG 1.93Å; C36-C47 PolarHBondContact SG-SG 3.47Å; M40-C47 HydrophobicContact CB-CB 4.36Å; M40-C47 PolarHBondContact O-N 3.22Å; M40-C47 PolarHBondContact O-SG 3.09Å; M40-C47 VanDerWaalsContact O-SG 3.34Å; C47-M71 HydrophobicContact CB-CE 3.73Å; C47-I72 CarbonylContact C-O 3.55Å; C47-I72 WeakPolarHBondContact CA-O 3.49Å
48	F	77.3	Confident	60.9	Low	94 Å²	94	89.9 Å²	89.9	41%	0.412	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	149.1	-178.3	-53.6	-85.7	0	0	0	111	T46 I72	T46-F48 VanDerWaalsContact OG1-CE2 3.23Å; T46-F48 WeakPolarHBondContact OG1-CE2 3.26Å; T46-F48 WeakPolarHBondContact OG1-CZ 3.1Å; F48-I72 PolarHBondContact N-O 3.4Å; F48-I72 PolarHBondContact O-N 2.8Å
49	D	68.8	Low	59.2	Low	16 Å²	16	89.6 Å²	89.6	9%	0.086	46%	0.464	C	S	.	.			trans	-84.8	127.4	167.5	-175	-31.5	0	0	0	108.8	E51 W52 S65 K66	D49-E51 PolarHBondContact O-N 2.93Å; D49-E51 VanDerWaalsContact O-N 3.13Å; D49-E51 PolarHBondContact OD1-N 3.44Å; D49-E51 VanDerWaalsContact OD1-N 3.17Å; D49-W52 PolarHBondContact O-N 2.97Å; D49-W52 VanDerWaalsContact O-N 3.13Å; D49-S65 WeakPolarHBondContact OD2-CA 3.06Å; D49-K66 PolarHBondContact OD2-N 3.19Å
50	P	62.4	Low	57.7	Low	47 Å²	47	86.8 Å²	86.8	31%	0.305	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-56.5	-25.4	-176.8	17	-28.8	0	0	0	115.4	W52 I72	P50-W52 VanDerWaalsContact C-N 3.26Å; P50-W52 PolarHBondContact O-N 3.4Å; P50-I72 HydrophobicContact CB-CD1 3.93Å; P50-I72 HydrophobicContact CB-CG1 4.43Å
51	E	57.4	Low	55.5	Low	97 Å²	97	92.8 Å²	92.8	45%	0.453	50%	0.495	S	S	.	.	G	3₁₀ helix	trans	-71	-18.2	178.5	-78.6	-174.5	-177	0	0	113.7	D49 Q53 K69	D49-E51 PolarHBondContact O-N 2.93Å; D49-E51 VanDerWaalsContact O-N 3.13Å; D49-E51 PolarHBondContact OD1-N 3.44Å; D49-E51 VanDerWaalsContact OD1-N 3.17Å; E51-Q53 PolarHBondContact O-N 3.35Å; E51-K69 IonicContact OE1-NZ 2.71Å; E51-K69 PolarHBondContact OE1-NZ 3.13Å; E51-K69 IonicContact OE2-NZ 3.11Å
52	W	50.3	Low	54.3	Low	137 Å²	137	96.4 Å²	96.4	52%	0.519	51%	0.507	S	S	.	.	G	3₁₀ helix	trans	-77.7	-1.7	-176.7	-85	84.4	0	0	0	114.9	D49 P50 S54	D49-W52 PolarHBondContact O-N 2.97Å; D49-W52 VanDerWaalsContact O-N 3.13Å; P50-W52 VanDerWaalsContact C-N 3.26Å; P50-W52 PolarHBondContact O-N 3.4Å; W52-S54 PolarHBondContact O-N 3.37Å
53	Q	44.3	Very low	52.8	Low	161 Å²	161	88.2 Å²	88.2	75%	0.752	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-70.6	-8	174.8	-74.3	-169.2	-8.1	0	0	114.1	E51	E51-Q53 PolarHBondContact O-N 3.35Å
54	S	40	Very low	51	Low	91 Å²	91	88.7 Å²	88.7	64%	0.636	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-104.3	4.8	-179.4	75.9	0	0	0	0	115.9	W52	W52-S54 PolarHBondContact O-N 3.37Å
55	F	33.3	Very low	48.9	Very low	148 Å²	148	88.8 Å²	88.8	65%	0.649	49%	0.489	S	S	*	.	S	Bend	trans	-125.4	126.1	176	-83.1	-86.2	0	0	0	110.2	A57	F55-A57 PolarHBondContact O-N 3.2Å
56	D	32.3	Very low	46.6	Very low	156 Å²	156	95.3 Å²	95.3	83%	0.834	52%	0.517	S	S	*	.			trans	-38.7	112.3	179.8	-66.1	-56.9	0	0	0	111.6	V58	D56-V58 VanDerWaalsContact C-N 3.34Å; D56-V58 PolarHBondContact O-N 3.44Å
57	A	32.4	Very low	44.7	Very low	97 Å²	97	101.8 Å²	101.8	80%	0.802	54%	0.539	S	S	*	.			trans	-66.7	89.9	-175.8	0	0	0	0	0	110.1	F55 P59	F55-A57 PolarHBondContact O-N 3.2Å; A57-P59 WeakPolarHBondContact O-CD 3.29Å
58	V	29.1	Very low	43.2	Very low	114 Å²	114	103.5 Å²	103.5	69%	0.691	56%	0.559	S	S	*	*			trans	-69.2	120.3	165.1	-177	0	0	0	0	107.6	D56 G60	D56-V58 VanDerWaalsContact C-N 3.34Å; D56-V58 PolarHBondContact O-N 3.44Å; V58-G60 PolarHBondContact O-N 2.87Å
59	P	29.8	Very low	42.5	Very low	128 Å²	128	103.3 Å²	103.3	83%	0.831	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	123.5	178.2	-17.4	29.6	0	0	0	110.2	A57	A57-P59 WeakPolarHBondContact O-CD 3.29Å
60	G	34.8	Very low	42.4	Very low	59 Å²	59	104.5 Å²	104.5	61%	0.608	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	117	0	170.3	0	0	0	0	0	116.6	V58	V58-G60 PolarHBondContact O-N 2.87Å
61	N	27.4	Very low	43.3	Very low	131 Å²	131	102.4 Å²	102.4	70%	0.701	55%	0.553	S	S	*	*			trans	-111.9	81.1	176.4	-141.4	4.2	0	0	0	111.4	G63	N61-G63 PolarHBondContact O-N 3.38Å
62	Y	36.6	Very low	44.7	Very low	134 Å²	134	98.7 Å²	98.7	53%	0.525	54%	0.536	S	S	.	.			trans	-77.3	74.9	175.9	-57.6	-85.8	0	0	0	109.7	Q41	Q41-Y62 HydrophobicContact CB-CD1 4.19Å; Q41-Y62 HydrophobicContact CB-CE1 4.4Å; Q41-Y62 HydrophobicContact CB-CG 4.43Å; Q41-Y62 VanDerWaalsContact CD-CB 3.47Å; Q41-Y62 HydrophobicContact CG-CD1 4.16Å; Q41-Y62 HydrophobicContact CG-CG 4.21Å; Q41-Y62 VanDerWaalsContact NE2-CB 3.27Å
63	G	35.6	Very low	46.6	Very low	36 Å²	36	92.2 Å²	92.2	37%	0.371	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-71.2	125.3	-177.2	0	0	0	0	0	112.7	N61	N61-G63 PolarHBondContact O-N 3.38Å
64	F	34.9	Very low	48.8	Very low	158 Å²	158	86.5 Å²	86.5	69%	0.693	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-46.2	135	175.1	-61.8	-91.3	0	0	0	112.7	M38	M38-F64 HydrophobicContact SD-CE1 4.23Å; M38-F64 HydrophobicContact SD-CZ 4.21Å
65	S	39.8	Very low	51.2	Low	14 Å²	14	82.2 Å²	82.2	10%	0.098	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-56.2	144.5	-178.5	68	0	0	0	0	111.6	G35 D49 Y67	G35-S65 WeakPolarHBondContact CA-OG 3.49Å; D49-S65 WeakPolarHBondContact OD2-CA 3.06Å; S65-Y67 PolarHBondContact O-N 2.8Å
66	K	40.8	Very low	53.7	Low	139 Å²	139	78.1 Å²	78.1	60%	0.604	44%	0.439	S	S	*	.			trans	-70.5	100.7	167.1	-123.2	174.6	-178.8	172.5	0	107.9	D49	D49-K66 PolarHBondContact OD2-N 3.19Å
67	Y	47.6	Very low	55.9	Low	166 Å²	166	72.2 Å²	72.2	65%	0.651	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-14.2	126.5	179.8	-49.5	-79.3	0	0	0	117.2	A32 S65 K69	A32-Y67 HydrophobicContact CB-CD1 4.02Å; A32-Y67 HydrophobicContact CB-CE1 3.87Å; S65-Y67 PolarHBondContact O-N 2.8Å; Y67-K69 PolarHBondContact O-N 3.15Å
68	G	52.1	Low	58.3	Low	50 Å²	50	67.7 Å²	67.7	52%	0.515	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.5	7.1	166.9	0	0	0	0	0	116.2
69	K	62.7	Low	60.8	Low	90 Å²	90	69.7 Å²	69.7	39%	0.391	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-93.6	141	176	-68.9	-171.5	178.6	-172.8	0	111.5	E51 Y67	E51-K69 IonicContact OE1-NZ 2.71Å; E51-K69 PolarHBondContact OE1-NZ 3.13Å; E51-K69 IonicContact OE2-NZ 3.11Å; Y67-K69 PolarHBondContact O-N 3.15Å
70	P	66.7	Low	63.2	Low	42 Å²	42	67 Å²	67	27%	0.273	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-70.1	137.1	-176.2	30	-36	0	0	0	111.3	E97 L99	P70-E97 CarbonylContact C-O 3.58Å; P70-E97 VanDerWaalsContact CA-O 3.26Å; P70-E97 WeakPolarHBondContact CA-O 3.29Å; P70-E97 HydrophobicContact CB-CB 4.03Å; P70-L99 HydrophobicContact CB-CB 3.88Å; P70-L99 HydrophobicContact CG-CB 4.18Å
71	M	81.5	Confident	65.6	Low	3 Å²	3	65 Å²	65	2%	0.015	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	160.5	-164.4	-66.5	-178.5	67.4	0	0	114.4	C36 C47 T96 E97 I98 L99 L100	C36-M71 HydrophobicContact CB-CE 3.33Å; C47-M71 HydrophobicContact CB-CE 3.73Å; M71-T96 HydrophobicContact CG-CG2 4.27Å; M71-T96 HydrophobicContact SD-CG2 3.51Å; M71-T96 VanDerWaalsContact SD-CG2 3.51Å; M71-E97 PolarHBondContact N-O 2.02Å; M71-I98 CarbonylContact O-C 3.58Å; M71-L99 WeakPolarHBondContact O-CB 3.34Å; M71-L99 PolarHBondContact O-N 3.07Å; M71-L100 PolarHBondContact O-N 2.72Å
72	I	86.4	Confident	68.3	Low	19 Å²	19	63.9 Å²	63.9	10%	0.097	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	130.8	166.7	-58.3	-178.9	0	0	0	109.4	C47 F48 P50 H74 L100	C47-I72 CarbonylContact C-O 3.55Å; C47-I72 WeakPolarHBondContact CA-O 3.49Å; F48-I72 PolarHBondContact N-O 3.4Å; F48-I72 PolarHBondContact O-N 2.8Å; P50-I72 HydrophobicContact CB-CD1 3.93Å; P50-I72 HydrophobicContact CB-CG1 4.43Å; I72-H74 VanDerWaalsContact CG2-NE2 3.32Å; I72-H74 WeakPolarHBondContact CG2-NE2 3.21Å; I72-L100 CarbonylContact C-O 3.35Å; I72-L100 WeakPolarHBondContact CA-O 3.41Å; I72-L100 HydrophobicContact CG1-CB 4.35Å; I72-L100 HydrophobicContact CG2-CB 4.4Å
73	V	89.9	Confident	70.7	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	130.6	179.5	-178.1	0	0	0	0	109.2	M40 T46 L88 L91 I98 L100 L101 R102	M40-V73 HydrophobicContact CE-CG1 3.96Å; T46-V73 CarbonylContact O-C 3.59Å; T46-V73 WeakPolarHBondContact O-CA 3.38Å; V73-L88 HydrophobicContact CG1-CD2 4.47Å; V73-L91 HydrophobicContact CB-CD1 4.49Å; V73-L91 HydrophobicContact CG1-CD1 4.1Å; V73-L91 HydrophobicContact CG2-CD1 3.8Å; V73-I98 HydrophobicContact CG2-CG2 4.23Å; V73-L100 PolarHBondContact N-O 3.33Å; V73-L101 HydrophobicContact CB-CD1 3.66Å; V73-L101 HydrophobicContact CG1-CD1 3.54Å; V73-L101 CarbonylContact O-C 3.52Å; V73-L101 WeakPolarHBondContact O-CA 3.13Å; V73-R102 PolarHBondContact O-N 2.98Å
74	H	90.3	Very high	73.2	Confident	42 Å²	42	58.8 Å²	58.8	19%	0.194	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	124.5	178.4	-66.4	173	0	0	0	110.3	C45 T46 I72 R102	C45-H74 CarbonylContact C-O 3.51Å; C45-H74 VanDerWaalsContact CA-O 3.31Å; C45-H74 WeakPolarHBondContact CA-O 3.4Å; T46-H74 PolarHBondContact N-O 3.24Å; T46-H74 PolarHBondContact O-N 3.14Å; I72-H74 VanDerWaalsContact CG2-NE2 3.32Å; I72-H74 WeakPolarHBondContact CG2-NE2 3.21Å; H74-R102 CarbonylContact C-O 3.6Å; H74-R102 WeakPolarHBondContact CA-O 3.28Å; H74-R102 PolarHBondContact CE1-NH1 3.41Å; H74-R102 PolarHBondContact NE2-NH1 2.87Å
75	C	90.9	Very high	75.7	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	110.7	173.3	-58.3	0	0	0	0	108.8	P44 C45 L84 R102 V103 F104	P44-C75 WeakPolarHBondContact O-CA 3.29Å; C45-C75 HydrophobicContact CB-CB 4.14Å; C45-C75 WeakPolarHBondContact CB-SG 3.31Å; C45-C75 WeakPolarHBondContact SG-CB 3Å; C45-C75 CovalentContact SG-SG 2.04Å; C45-C75 PolarHBondContact SG-SG 3.38Å; C75-L84 HydrophobicContact CB-CD1 3.65Å; C75-R102 PolarHBondContact N-O 3.42Å; C75-V103 HydrophobicContact CB-CG1 4.34Å; C75-V103 HydrophobicContact CB-CG2 4.21Å; C75-V103 WeakPolarHBondContact O-CA 3.42Å; C75-F104 PolarHBondContact O-N 3.45Å
76	N	85.2	Confident	78	Confident	62 Å²	62	58.8 Å²	58.8	33%	0.332	29%	0.294	S	S	.	.			trans	-130.1	-6.6	-173.7	69	-40.7	0	0	0	114.7	P44 F104	P44-N76 PolarHBondContact O-N 3.4Å; N76-F104 WeakPolarHBondContact CA-O 3.31Å; N76-F104 HydrophobicContact CB-CD1 4.1Å; N76-F104 HydrophobicContact CB-CD2 4.3Å; N76-F104 HydrophobicContact CB-CE1 3.47Å; N76-F104 VanDerWaalsContact CB-CE1 3.47Å; N76-F104 HydrophobicContact CB-CE2 3.69Å; N76-F104 HydrophobicContact CB-CG 4.49Å; N76-F104 HydrophobicContact CB-CZ 3.24Å
77	A	79.4	Confident	80.2	Confident	33 Å²	33	53.4 Å²	53.4	27%	0.273	27%	0.274	S	S	.	.			trans	-122	10.7	-177.6	0	0	0	0	0	113	E43 P44 E79	E43-A77 HydrophobicContact CB-CB 4.18Å; E43-A77 HydrophobicContact CG-CB 3.95Å; P44-A77 VanDerWaalsContact CB-C 3.43Å; P44-A77 HydrophobicContact CB-CB 4.1Å; A77-E79 PolarHBondContact O-N 2.89Å
78	A	83.2	Confident	82.1	Confident	2 Å²	2	45.5 Å²	45.5	2%	0.017	24%	0.243	C	C	.	.			trans	-73.4	117.3	177	0	0	0	0	0	108.9	P44 N80 L84 T106	P44-A78 HydrophobicContact CB-CB 3.88Å; P44-A78 VanDerWaalsContact CB-N 3.3Å; P44-A78 HydrophobicContact CG-CB 4.2Å; A78-N80 VanDerWaalsContact C-N 3.26Å; A78-N80 PolarHBondContact O-N 3.11Å; A78-L84 HydrophobicContact CB-CB 3.94Å; A78-L84 HydrophobicContact CB-CD1 4.36Å; A78-T106 HydrophobicContact CB-CG2 3.94Å; A78-T106 WeakPolarHBondContact O-CB 3.15Å; A78-T106 VanDerWaalsContact O-CG2 3.3Å; A78-T106 WeakPolarHBondContact O-CG2 3.27Å
79	E	81	Confident	83.8	Confident	156 Å²	156	45.8 Å²	45.8	73%	0.729	23%	0.232	S	C	*	.			trans	-68	-30.9	-178.4	-64.2	-174.1	169.7	0	0	111.4	A77 E83	A77-E79 PolarHBondContact O-N 2.89Å; E79-E83 WeakPolarHBondContact CB-OE2 3.34Å; E79-E83 PolarHBondContact N-OE2 2.92Å
80	N	81.3	Confident	84.7	Confident	70 Å²	70	42.7 Å²	42.7	37%	0.374	22%	0.221	S	C	.	.	S	Bend	trans	-152.9	172.9	-176.7	63.9	68.1	0	0	0	113.1	A78 Q82 E83 L84	A78-N80 VanDerWaalsContact C-N 3.26Å; A78-N80 PolarHBondContact O-N 3.11Å; N80-Q82 VanDerWaalsContact C-N 3.28Å; N80-Q82 PolarHBondContact O-N 3.33Å; N80-Q82 WeakPolarHBondContact OD1-CA 3.42Å; N80-Q82 WeakPolarHBondContact OD1-CB 3.33Å; N80-Q82 PolarHBondContact OD1-N 3.28Å; N80-E83 PolarHBondContact O-N 2.92Å; N80-E83 PolarHBondContact OD1-N 2.92Å; N80-L84 PolarHBondContact O-N 3.19Å; N80-L84 VanDerWaalsContact O-N 3.09Å
81	V	83.6	Confident	85.5	Confident	18 Å²	18	40.8 Å²	40.8	11%	0.109	21%	0.209	C	C	.	.	H	α-helix	trans	-61.5	-32.2	-177.6	-173.4	0	0	0	0	112.9	R85 M108 N110 T112 I115	V81-R85 WeakPolarHBondContact O-CB 3.37Å; V81-R85 PolarHBondContact O-N 3.4Å; V81-M108 HydrophobicContact CB-CG 4.45Å; V81-M108 HydrophobicContact CB-SD 4Å; V81-M108 HydrophobicContact CG1-SD 4.36Å; V81-M108 HydrophobicContact CG2-CB 3.86Å; V81-M108 HydrophobicContact CG2-CG 3.51Å; V81-M108 HydrophobicContact CG2-SD 3.48Å; V81-M108 WeakPolarHBondContact CG2-SD 3.22Å; V81-N110 WeakPolarHBondContact CG2-O 3.39Å; V81-T112 HydrophobicContact CG1-CG2 4.06Å; V81-T112 VanDerWaalsContact CG1-OG1 3.27Å; V81-T112 WeakPolarHBondContact CG1-OG1 3.29Å; V81-I115 HydrophobicContact CG1-CD1 4.06Å
82	Q	84.9	Confident	85.4	Confident	108 Å²	108	42 Å²	42	51%	0.505	22%	0.215	S	C	.	.	H	α-helix	trans	-72.8	-44.8	-178.9	-64.5	-61.1	-14.8	0	0	111	N80 L84 R85 D86	N80-Q82 VanDerWaalsContact C-N 3.28Å; N80-Q82 PolarHBondContact O-N 3.33Å; N80-Q82 WeakPolarHBondContact OD1-CA 3.42Å; N80-Q82 WeakPolarHBondContact OD1-CB 3.33Å; N80-Q82 PolarHBondContact OD1-N 3.28Å; Q82-L84 VanDerWaalsContact C-N 3.28Å; Q82-L84 PolarHBondContact O-N 2.9Å; Q82-R85 WeakPolarHBondContact O-CB 3.26Å; Q82-R85 PolarHBondContact O-N 3.04Å; Q82-R85 VanDerWaalsContact O-N 3.1Å; Q82-D86 PolarHBondContact O-N 3.44Å
83	E	86.4	Confident	84.8	Confident	62 Å²	62	50.5 Å²	50.5	29%	0.29	25%	0.245	S	C	.	.	H	α-helix	trans	-61.6	-40.1	175.6	-164.1	-170.6	178.3	0	0	111.6	P44 E79 N80 D86 S87	P44-E83 HydrophobicContact CG-CG 4.11Å; E79-E83 WeakPolarHBondContact CB-OE2 3.34Å; E79-E83 PolarHBondContact N-OE2 2.92Å; N80-E83 PolarHBondContact O-N 2.92Å; N80-E83 PolarHBondContact OD1-N 2.92Å; E83-D86 PolarHBondContact O-N 3.05Å; E83-S87 VanDerWaalsContact O-CB 3.3Å; E83-S87 WeakPolarHBondContact O-CB 2.93Å; E83-S87 PolarHBondContact O-N 3Å; E83-S87 PolarHBondContact O-OG 2.73Å
84	L	88.7	Confident	83.8	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-60	-48.2	172.3	179.5	65.2	0	0	0	111.1	C75 A78 N80 Q82 D86 S87 L88 V103 M108 I115	C75-L84 HydrophobicContact CB-CD1 3.65Å; A78-L84 HydrophobicContact CB-CB 3.94Å; A78-L84 HydrophobicContact CB-CD1 4.36Å; N80-L84 PolarHBondContact O-N 3.19Å; N80-L84 VanDerWaalsContact O-N 3.09Å; Q82-L84 VanDerWaalsContact C-N 3.28Å; Q82-L84 PolarHBondContact O-N 2.9Å; L84-D86 PolarHBondContact O-N 3.19Å; L84-S87 PolarHBondContact O-N 3.03Å; L84-L88 HydrophobicContact CD1-CD1 3.83Å; L84-L88 HydrophobicContact CD1-CG 4.1Å; L84-L88 HydrophobicContact CG-CD1 3.86Å; L84-L88 HydrophobicContact CG-CG 4.42Å; L84-L88 VanDerWaalsContact O-CB 3.25Å; L84-L88 WeakPolarHBondContact O-CB 3.38Å; L84-L88 WeakPolarHBondContact O-CG 3.3Å; L84-L88 PolarHBondContact O-N 2.78Å; L84-V103 HydrophobicContact CD1-CG1 4.04Å; L84-V103 HydrophobicContact CD1-CG2 4.17Å; L84-V103 HydrophobicContact CD2-CG1 3.71Å; L84-V103 HydrophobicContact CD2-CG2 4.28Å; L84-M108 HydrophobicContact CD2-CE 3.57Å; L84-M108 HydrophobicContact CD2-SD 3.61Å; L84-I115 HydrophobicContact CB-CD1 4.47Å; L84-I115 HydrophobicContact CD2-CD1 3.71Å; L84-I115 HydrophobicContact CG-CD1 3.97Å
85	R	87.6	Confident	83	Confident	77 Å²	77	57.7 Å²	57.7	29%	0.291	28%	0.282	S	S	.	.	H	α-helix	trans	-57.6	-49.2	178.9	-174.7	-176.1	-169.5	118.1	5.2	110.8	V81 Q82 S87 L88 L89 T113 I115	V81-R85 WeakPolarHBondContact O-CB 3.37Å; V81-R85 PolarHBondContact O-N 3.4Å; Q82-R85 WeakPolarHBondContact O-CB 3.26Å; Q82-R85 PolarHBondContact O-N 3.04Å; Q82-R85 VanDerWaalsContact O-N 3.1Å; R85-S87 VanDerWaalsContact C-N 3.33Å; R85-S87 PolarHBondContact O-N 3.31Å; R85-L88 PolarHBondContact O-N 3.34Å; R85-L88 VanDerWaalsContact O-N 3.17Å; R85-L89 WeakPolarHBondContact O-CG 3.29Å; R85-L89 PolarHBondContact O-N 3.39Å; R85-T113 PolarHBondContact NH1-O 3.04Å; R85-I115 HydrophobicContact CB-CD1 4.38Å; R85-I115 HydrophobicContact CB-CG1 4.4Å
86	D	86.9	Confident	82.3	Confident	96 Å²	96	58 Å²	58	51%	0.513	28%	0.284	S	S	.	.	H	α-helix	trans	-62.8	-41.3	-178.4	-71	-19	0	0	0	111.7	Q82 E83 L84 L88 L89	Q82-D86 PolarHBondContact O-N 3.44Å; E83-D86 PolarHBondContact O-N 3.05Å; L84-D86 PolarHBondContact O-N 3.19Å; D86-L88 VanDerWaalsContact C-N 3.25Å; D86-L88 PolarHBondContact O-N 3.36Å; D86-L89 WeakPolarHBondContact O-CB 3.29Å; D86-L89 PolarHBondContact O-N 2.78Å
87	S	87.3	Confident	82.3	Confident	26 Å²	26	60.9 Å²	60.9	18%	0.182	30%	0.295	C	S	.	.	H	α-helix	trans	-67.6	-28.4	177.6	-58	0	0	0	0	112.9	M40 P44 E83 L84 R85 P90	M40-S87 WeakPolarHBondContact CE-O 3.24Å; P44-S87 WeakPolarHBondContact CD-OG 2.95Å; P44-S87 WeakPolarHBondContact CG-OG 3.48Å; E83-S87 VanDerWaalsContact O-CB 3.3Å; E83-S87 WeakPolarHBondContact O-CB 2.93Å; E83-S87 PolarHBondContact O-N 3Å; E83-S87 PolarHBondContact O-OG 2.73Å; L84-S87 PolarHBondContact O-N 3.03Å; R85-S87 VanDerWaalsContact C-N 3.33Å; R85-S87 PolarHBondContact O-N 3.31Å; S87-P90 WeakPolarHBondContact O-CD 3.16Å
88	L	88.5	Confident	82.7	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-87.6	-15	179.3	-76.4	-175.9	0	0	0	113.6	M40 V73 L84 R85 D86 P90 L91 L101 I115 F116 M119	M40-L88 HydrophobicContact CE-CD2 3.87Å; V73-L88 HydrophobicContact CG1-CD2 4.47Å; L84-L88 HydrophobicContact CD1-CD1 3.83Å; L84-L88 HydrophobicContact CD1-CG 4.1Å; L84-L88 HydrophobicContact CG-CD1 3.86Å; L84-L88 HydrophobicContact CG-CG 4.42Å; L84-L88 VanDerWaalsContact O-CB 3.25Å; L84-L88 WeakPolarHBondContact O-CB 3.38Å; L84-L88 WeakPolarHBondContact O-CG 3.3Å; L84-L88 PolarHBondContact O-N 2.78Å; R85-L88 PolarHBondContact O-N 3.34Å; R85-L88 VanDerWaalsContact O-N 3.17Å; D86-L88 VanDerWaalsContact C-N 3.25Å; D86-L88 PolarHBondContact O-N 3.36Å; L88-P90 VanDerWaalsContact C-N 3.34Å; L88-L91 HydrophobicContact CD2-CD1 4.01Å; L88-L91 PolarHBondContact O-N 3.32Å; L88-L91 VanDerWaalsContact O-N 3.1Å; L88-L101 HydrophobicContact CD1-CD2 4.27Å; L88-L101 HydrophobicContact CD2-CD1 4.11Å; L88-L101 HydrophobicContact CD2-CD2 4.38Å; L88-I115 HydrophobicContact CD1-CG1 4.41Å; L88-F116 HydrophobicContact CD1-CD1 4.39Å; L88-F116 HydrophobicContact CD1-CE1 3.83Å; L88-M119 HydrophobicContact CB-CE 3.58Å; L88-M119 HydrophobicContact CD1-CE 4.38Å; L88-M119 HydrophobicContact CD2-CE 4.3Å; L88-M119 HydrophobicContact CG-CE 4.3Å; L88-M119 WeakPolarHBondContact O-CE 3.48Å
89	L	86.4	Confident	83.1	Confident	56 Å²	56	61.8 Å²	61.8	29%	0.293	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-51.4	-39.9	179.7	-75.8	173.3	0	0	0	114.8	R85 D86 L91 Q92	R85-L89 WeakPolarHBondContact O-CG 3.29Å; R85-L89 PolarHBondContact O-N 3.39Å; D86-L89 WeakPolarHBondContact O-CB 3.29Å; D86-L89 PolarHBondContact O-N 2.78Å; L89-L91 VanDerWaalsContact C-N 3.28Å; L89-L91 PolarHBondContact O-N 3.14Å; L89-Q92 PolarHBondContact O-N 3.27Å
90	P	82.8	Confident	83.6	Confident	25 Å²	25	55.4 Å²	55.4	16%	0.162	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-59.2	-37.8	178.7	-25.7	36.7	0	0	0	113	P37 S87 L88 Q92 R93	P37-P90 HydrophobicContact CB-CB 3.8Å; P37-P90 HydrophobicContact CG-CB 3.79Å; S87-P90 WeakPolarHBondContact O-CD 3.16Å; L88-P90 VanDerWaalsContact C-N 3.34Å; P90-Q92 VanDerWaalsContact C-N 3.28Å; P90-Q92 PolarHBondContact O-N 2.99Å; P90-R93 PolarHBondContact O-N 3.36Å
91	L	82.3	Confident	84.2	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.005	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-70.9	-23.6	-179.8	-62.5	176.2	0	0	0	113.1	P37 M40 V73 L88 L89 R93 I98 M119	P37-L91 HydrophobicContact CG-CD2 3.97Å; M40-L91 HydrophobicContact CE-CD1 3.4Å; M40-L91 VanDerWaalsContact CE-CD1 3.4Å; M40-L91 HydrophobicContact CE-CG 3.8Å; M40-L91 HydrophobicContact SD-CD1 3.65Å; M40-L91 HydrophobicContact SD-CD2 3.73Å; M40-L91 HydrophobicContact SD-CG 3.51Å; M40-L91 VanDerWaalsContact SD-CG 3.51Å; V73-L91 HydrophobicContact CB-CD1 4.49Å; V73-L91 HydrophobicContact CG1-CD1 4.1Å; V73-L91 HydrophobicContact CG2-CD1 3.8Å; L88-L91 HydrophobicContact CD2-CD1 4.01Å; L88-L91 PolarHBondContact O-N 3.32Å; L88-L91 VanDerWaalsContact O-N 3.1Å; L89-L91 VanDerWaalsContact C-N 3.28Å; L89-L91 PolarHBondContact O-N 3.14Å; L91-R93 PolarHBondContact O-N 3.22Å; L91-I98 HydrophobicContact CB-CD1 4.3Å; L91-I98 HydrophobicContact CD1-CD1 3.87Å; L91-M119 HydrophobicContact CB-CE 3.92Å
92	Q	80.7	Confident	84.7	Confident	30 Å²	30	55.6 Å²	55.6	14%	0.14	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-74	-15.6	177.4	-62	-170.5	-13.4	0	0	113.3	L89 P90 I115 R118 M119	L89-Q92 PolarHBondContact O-N 3.27Å; P90-Q92 VanDerWaalsContact C-N 3.28Å; P90-Q92 PolarHBondContact O-N 2.99Å; Q92-I115 PolarHBondContact NE2-O 3Å; Q92-R118 HydrophobicContact CB-CB 4.2Å; Q92-M119 HydrophobicContact CG-CE 3.33Å; Q92-M119 HydrophobicContact CG-CG 3.89Å; Q92-M119 HydrophobicContact CG-SD 4.42Å
93	R	73.4	Confident	85.1	Confident	196 Å²	196	50.5 Å²	50.5	74%	0.74	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-26.5	-174.2	-65.7	-178.8	-177.4	173.1	2	113.2	P90 L91	P90-R93 PolarHBondContact O-N 3.36Å; L91-R93 PolarHBondContact O-N 3.22Å
94	E	68.4	Low	85.2	Confident	94 Å²	94	50.6 Å²	50.6	44%	0.439	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100	10.7	-164.3	-70.8	-65.5	161.2	0	0	114.4	T96	E94-T96 WeakPolarHBondContact CB-OG1 3.45Å; E94-T96 PolarHBondContact O-N 3.06Å; E94-T96 PolarHBondContact O-OG1 3.17Å
95	N	74	Confident	84.6	Confident	100 Å²	100	57 Å²	57	54%	0.535	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	45	32.8	-172.7	-71.8	-12	0	0	0	112.8	E97 Y120	N95-E97 PolarHBondContact O-N 3.11Å; N95-Y120 HydrophobicContact CB-CE2 4.08Å
96	T	76.1	Confident	84.2	Confident	6 Å²	6	53.4 Å²	53.4	4%	0.037	25%	0.252	C	S	.	.			trans	-75.2	128.9	-172.1	-48.2	0	0	0	0	109.8	M71 E94 I98	M71-T96 HydrophobicContact CG-CG2 4.27Å; M71-T96 HydrophobicContact SD-CG2 3.51Å; M71-T96 VanDerWaalsContact SD-CG2 3.51Å; E94-T96 WeakPolarHBondContact CB-OG1 3.45Å; E94-T96 PolarHBondContact O-N 3.06Å; E94-T96 PolarHBondContact O-OG1 3.17Å; T96-I98 PolarHBondContact O-N 2.96Å
97	E	84.6	Confident	83.7	Confident	122 Å²	122	54.5 Å²	54.5	57%	0.57	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.9	120.6	172.2	-65.5	-173.3	174.6	0	0	110.1	P70 M71 N95	P70-E97 CarbonylContact C-O 3.58Å; P70-E97 VanDerWaalsContact CA-O 3.26Å; P70-E97 WeakPolarHBondContact CA-O 3.29Å; P70-E97 HydrophobicContact CB-CB 4.03Å; M71-E97 PolarHBondContact N-O 2.02Å; N95-E97 PolarHBondContact O-N 3.11Å
98	I	89.1	Confident	83.4	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.005	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	110.8	178.6	-57.9	165	0	0	0	107.2	M71 V73 L91 T96 L100 L101 Y120 I121 S122	M71-I98 CarbonylContact O-C 3.58Å; V73-I98 HydrophobicContact CG2-CG2 4.23Å; L91-I98 HydrophobicContact CB-CD1 4.3Å; L91-I98 HydrophobicContact CD1-CD1 3.87Å; T96-I98 PolarHBondContact O-N 2.96Å; I98-L100 VanDerWaalsContact C-N 3.32Å; I98-L101 HydrophobicContact CG2-CB 4.07Å; I98-Y120 PolarHBondContact N-O 3.1Å; I98-I121 HydrophobicContact CB-CG1 4.3Å; I98-I121 HydrophobicContact CD1-CG1 4.12Å; I98-I121 WeakPolarHBondContact O-CA 3.44Å; I98-S122 PolarHBondContact O-N 2.86Å
99	L	90.7	Very high	83.1	Confident	54 Å²	54	59 Å²	59	28%	0.283	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	-45.2	173.5	179.4	59.8	0	0	0	110.2	P70 M71 R123	P70-L99 HydrophobicContact CB-CB 3.88Å; P70-L99 HydrophobicContact CG-CB 4.18Å; M71-L99 WeakPolarHBondContact O-CB 3.34Å; M71-L99 PolarHBondContact O-N 3.07Å; L99-R123 VanDerWaalsContact O-CB 3.28Å; L99-R123 WeakPolarHBondContact O-CB 3.15Å; L99-R123 WeakPolarHBondContact O-CG 3.18Å; L99-R123 PolarHBondContact O-N 2.89Å
100	L	92.5	Very high	83.1	Confident	22 Å²	22	59.8 Å²	59.8	12%	0.115	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	119.3	-176.7	176.1	59.5	0	0	0	111.8	M71 I72 V73 I98 R102 R123	M71-L100 PolarHBondContact O-N 2.72Å; I72-L100 CarbonylContact C-O 3.35Å; I72-L100 WeakPolarHBondContact CA-O 3.41Å; I72-L100 HydrophobicContact CG1-CB 4.35Å; I72-L100 HydrophobicContact CG2-CB 4.4Å; V73-L100 PolarHBondContact N-O 3.33Å; I98-L100 VanDerWaalsContact C-N 3.32Å; L100-R102 HydrophobicContact CD1-CG 4.04Å; L100-R102 HydrophobicContact CD2-CG 4.09Å; L100-R102 VanDerWaalsContact CD2-NH2 3.25Å; L100-R102 HydrophobicContact CG-CG 3.9Å; L100-R123 CarbonylContact C-O 3.55Å; L100-R123 VanDerWaalsContact CA-O 3.29Å; L100-R123 WeakPolarHBondContact CA-O 3.46Å; L100-R123 HydrophobicContact CB-CB 4.38Å; L100-R123 HydrophobicContact CD1-CB 3.68Å
101	L	93.9	Very high	83.3	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	120	165.6	176.8	58	0	0	0	109	V73 L88 I98 V103 F116 I121 R123 L124 S125	V73-L101 HydrophobicContact CB-CD1 3.66Å; V73-L101 HydrophobicContact CG1-CD1 3.54Å; V73-L101 CarbonylContact O-C 3.52Å; V73-L101 WeakPolarHBondContact O-CA 3.13Å; L88-L101 HydrophobicContact CD1-CD2 4.27Å; L88-L101 HydrophobicContact CD2-CD1 4.11Å; L88-L101 HydrophobicContact CD2-CD2 4.38Å; I98-L101 HydrophobicContact CG2-CB 4.07Å; L101-V103 HydrophobicContact CD1-CG2 4.25Å; L101-V103 HydrophobicContact CD2-CG2 4.48Å; L101-V103 HydrophobicContact CG-CG2 4.12Å; L101-F116 HydrophobicContact CD2-CD1 3.97Å; L101-F116 HydrophobicContact CD2-CE1 3.57Å; L101-F116 HydrophobicContact CD2-CZ 4.43Å; L101-I121 HydrophobicContact CB-CD1 4.27Å; L101-I121 HydrophobicContact CB-CG2 4.28Å; L101-I121 HydrophobicContact CD2-CD1 3.69Å; L101-R123 PolarHBondContact N-O 2.88Å; L101-L124 HydrophobicContact CB-CD1 3.86Å; L101-L124 HydrophobicContact CD2-CD1 3.83Å; L101-L124 HydrophobicContact CG-CD1 3.79Å; L101-L124 WeakPolarHBondContact O-CA 3.4Å; L101-S125 PolarHBondContact O-N 3.2Å
102	R	93.6	Very high	83.4	Confident	92 Å²	92	60.7 Å²	60.7	35%	0.347	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	123.6	171.8	-61.8	-173.1	175.8	119.6	-3.2	109.1	V73 H74 C75 L100	V73-R102 PolarHBondContact O-N 2.98Å; H74-R102 CarbonylContact C-O 3.6Å; H74-R102 WeakPolarHBondContact CA-O 3.28Å; H74-R102 PolarHBondContact CE1-NH1 3.41Å; H74-R102 PolarHBondContact NE2-NH1 2.87Å; C75-R102 PolarHBondContact N-O 3.42Å; L100-R102 HydrophobicContact CD1-CG 4.04Å; L100-R102 HydrophobicContact CD2-CG 4.09Å; L100-R102 VanDerWaalsContact CD2-NH2 3.25Å; L100-R102 HydrophobicContact CG-CG 3.9Å
103	V	92.1	Very high	83.4	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	119.5	169.7	-173.2	0	0	0	0	106.7	C75 L84 L101 T106 M108 S125 L126 R127 N129	C75-V103 HydrophobicContact CB-CG1 4.34Å; C75-V103 HydrophobicContact CB-CG2 4.21Å; C75-V103 WeakPolarHBondContact O-CA 3.42Å; L84-V103 HydrophobicContact CD1-CG1 4.04Å; L84-V103 HydrophobicContact CD1-CG2 4.17Å; L84-V103 HydrophobicContact CD2-CG1 3.71Å; L84-V103 HydrophobicContact CD2-CG2 4.28Å; L101-V103 HydrophobicContact CD1-CG2 4.25Å; L101-V103 HydrophobicContact CD2-CG2 4.48Å; L101-V103 HydrophobicContact CG-CG2 4.12Å; V103-T106 HydrophobicContact CG1-CG2 3.72Å; V103-M108 HydrophobicContact CG1-CE 3.74Å; V103-S125 PolarHBondContact N-O 3.36Å; V103-L126 HydrophobicContact CB-CD2 3.77Å; V103-L126 HydrophobicContact CG2-CD2 3.91Å; V103-L126 CarbonylContact O-C 3.58Å; V103-L126 WeakPolarHBondContact O-CA 3.49Å; V103-R127 PolarHBondContact O-N 3.3Å; V103-N129 PolarHBondContact O-ND2 2.9Å
104	F	88.7	Confident	83.6	Confident	64 Å²	64	53.2 Å²	53.2	28%	0.281	26%	0.262	S	S	.	.			trans	-145.3	154.1	-178.8	68.1	-82.5	0	0	0	111.5	C75 N76 T106 R127 N129	C75-F104 PolarHBondContact O-N 3.45Å; N76-F104 WeakPolarHBondContact CA-O 3.31Å; N76-F104 HydrophobicContact CB-CD1 4.1Å; N76-F104 HydrophobicContact CB-CD2 4.3Å; N76-F104 HydrophobicContact CB-CE1 3.47Å; N76-F104 VanDerWaalsContact CB-CE1 3.47Å; N76-F104 HydrophobicContact CB-CE2 3.69Å; N76-F104 HydrophobicContact CB-CG 4.49Å; N76-F104 HydrophobicContact CB-CZ 3.24Å; F104-T106 PolarHBondContact O-N 3.31Å; F104-R127 VanDerWaalsContact CA-O 3.24Å; F104-R127 WeakPolarHBondContact CA-O 3.25Å; F104-R127 VanDerWaalsContact CB-O 3.26Å; F104-R127 WeakPolarHBondContact CB-O 3.04Å; F104-N129 VanDerWaalsContact C-OD1 3.25Å; F104-N129 VanDerWaalsContact CA-OD1 3.28Å; F104-N129 WeakPolarHBondContact CA-OD1 3.49Å
105	Q	77.3	Confident	84.4	Confident	134 Å²	134	48.7 Å²	48.7	63%	0.626	24%	0.241	S	C	*	.	S	Bend	trans	60.2	26.6	-179.9	-69.3	177.6	-64.7	0	0	115.2	K128 N129	Q105-K128 VanDerWaalsContact CA-O 3.27Å; Q105-K128 WeakPolarHBondContact CA-O 3.31Å; Q105-K128 PolarHBondContact N-O 3.01Å; Q105-N129 PolarHBondContact N-OD1 2.79Å
106	T	79.8	Confident	85.2	Confident	2 Å²	2	44 Å²	44	1%	0.012	22%	0.216	C	C	.	.			trans	-93.3	131.5	168.7	67.3	0	0	0	0	107.7	A78 V103 F104 M108 N129	A78-T106 HydrophobicContact CB-CG2 3.94Å; A78-T106 WeakPolarHBondContact O-CB 3.15Å; A78-T106 VanDerWaalsContact O-CG2 3.3Å; A78-T106 WeakPolarHBondContact O-CG2 3.27Å; V103-T106 HydrophobicContact CG1-CG2 3.72Å; F104-T106 PolarHBondContact O-N 3.31Å; T106-M108 HydrophobicContact CG2-CE 4.41Å; T106-M108 PolarHBondContact O-N 3.02Å; T106-M108 WeakPolarHBondContact OG1-CE 3.2Å; T106-M108 VanDerWaalsContact OG1-CG 3.27Å; T106-M108 WeakPolarHBondContact OG1-CG 3.4Å; T106-N129 WeakPolarHBondContact CB-OD1 3.45Å; T106-N129 PolarHBondContact N-OD1 3.08Å; T106-N129 CarbonylContact O-C 3.49Å; T106-N129 VanDerWaalsContact O-C 3.27Å; T106-N129 WeakPolarHBondContact O-CA 3.36Å; T106-N129 WeakPolarHBondContact O-CB 3.06Å; T106-N129 PolarHBondContact O-OD1 3.35Å; T106-N129 PolarHBondContact OG1-OD1 2.94Å
107	D	76	Confident	85.7	Confident	119 Å²	119	47.8 Å²	47.8	64%	0.636	23%	0.234	S	C	*	.			trans	-79.1	52.8	179.1	-170.4	18.1	0	0	0	111	K109	D107-K109 PolarHBondContact O-N 3.3Å
108	M	80	Confident	85.9	Confident	3 Å²	3	49.6 Å²	49.6	2%	0.015	24%	0.235	C	C	.	.			trans	-87.1	91.2	-178.4	-62.8	-169.5	-60.8	0	0	108.9	V81 L84 V103 T106 N110 L111 N129 L131	V81-M108 HydrophobicContact CB-CG 4.45Å; V81-M108 HydrophobicContact CB-SD 4Å; V81-M108 HydrophobicContact CG1-SD 4.36Å; V81-M108 HydrophobicContact CG2-CB 3.86Å; V81-M108 HydrophobicContact CG2-CG 3.51Å; V81-M108 HydrophobicContact CG2-SD 3.48Å; V81-M108 WeakPolarHBondContact CG2-SD 3.22Å; L84-M108 HydrophobicContact CD2-CE 3.57Å; L84-M108 HydrophobicContact CD2-SD 3.61Å; V103-M108 HydrophobicContact CG1-CE 3.74Å; T106-M108 HydrophobicContact CG2-CE 4.41Å; T106-M108 PolarHBondContact O-N 3.02Å; T106-M108 WeakPolarHBondContact OG1-CE 3.2Å; T106-M108 VanDerWaalsContact OG1-CG 3.27Å; T106-M108 WeakPolarHBondContact OG1-CG 3.4Å; M108-N110 PolarHBondContact O-N 3.45Å; M108-L111 HydrophobicContact CE-CD1 4.45Å; M108-N129 CarbonylContact C-O 3.25Å; M108-N129 HydrophobicContact CE-CB 4.47Å; M108-N129 PolarHBondContact N-O 3.4Å; M108-N129 VanDerWaalsContact N-O 3.16Å; M108-L131 HydrophobicContact CB-CD2 4.32Å; M108-L131 WeakPolarHBondContact O-CD2 3.24Å; M108-L131 WeakPolarHBondContact O-CG 3.4Å
109	K	82.9	Confident	86	Confident	118 Å²	118	49.5 Å²	49.5	51%	0.513	24%	0.235	S	C	.	.	S	Bend	trans	-57.4	-35.3	175.4	-66.1	-178.4	-177.2	172.3	0	112.7	D107 L131 R132	D107-K109 PolarHBondContact O-N 3.3Å; K109-L131 WeakPolarHBondContact O-CA 3.38Å; K109-R132 PolarHBondContact O-N 2.02Å
110	N	85.3	Confident	86	Confident	73 Å²	73	50.4 Å²	50.4	39%	0.39	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	137.6	-179.5	-63.4	-21.2	0	0	0	110.8	V81 M108 S133	V81-N110 WeakPolarHBondContact CG2-O 3.39Å; M108-N110 PolarHBondContact O-N 3.45Å; N110-S133 WeakPolarHBondContact CA-O 3.49Å; N110-S133 VanDerWaalsContact CG-OG 3.24Å; N110-S133 PolarHBondContact OD1-OG 2.69Å
111	L	88.6	Confident	86	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	126.3	171.8	-170.4	74.1	0	0	0	110.1	M108 I115 F116 L126 L131 S133 I134 E135 A138 F139	M108-L111 HydrophobicContact CE-CD1 4.45Å; L111-I115 HydrophobicContact CD1-CG2 4.12Å; L111-I115 HydrophobicContact CG-CG2 4.34Å; L111-F116 HydrophobicContact CD1-CE2 4.37Å; L111-F116 HydrophobicContact CD2-CE2 4.02Å; L111-L126 HydrophobicContact CD2-CD1 3.75Å; L111-L131 HydrophobicContact CB-CD2 3.87Å; L111-S133 PolarHBondContact N-O 2.87Å; L111-I134 HydrophobicContact CB-CG1 4.25Å; L111-I134 HydrophobicContact CB-CG2 4.16Å; L111-I134 HydrophobicContact CD2-CG2 3.97Å; L111-E135 WeakPolarHBondContact O-CB 3.47Å; L111-E135 WeakPolarHBondContact O-CG 3.4Å; L111-E135 PolarHBondContact O-N 2.99Å; L111-A138 HydrophobicContact CD2-CB 3.88Å; L111-A138 HydrophobicContact CG-CB 4.1Å; L111-F139 HydrophobicContact CD2-CE1 3.84Å; L111-F139 HydrophobicContact CD2-CZ 3.75Å
112	T	84.4	Confident	86.1	Confident	44 Å²	44	51.3 Å²	51.3	27%	0.27	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-92.6	167	-172.8	64.7	0	0	0	0	113.7	V81 A138	V81-T112 HydrophobicContact CG1-CG2 4.06Å; V81-T112 VanDerWaalsContact CG1-OG1 3.27Å; V81-T112 WeakPolarHBondContact CG1-OG1 3.29Å; T112-A138 WeakPolarHBondContact O-CB 3.38Å
113	T	79.6	Confident	86.3	Confident	66 Å²	66	53.2 Å²	53.2	41%	0.405	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	135	-176.2	-53.9	0	0	0	0	114.4	R85 I115 T137	R85-T113 PolarHBondContact NH1-O 3.04Å; T113-I115 VanDerWaalsContact C-N 3.27Å; T113-I115 PolarHBondContact O-N 3.04Å; T113-T137 WeakPolarHBondContact CG2-OG1 3.15Å; T113-T137 PolarHBondContact OG1-OG1 3.25Å
114	G	77.2	Confident	86.5	Confident	3 Å²	3	53.3 Å²	53.3	3%	0.031	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	12.3	164.3	0	0	0	0	0	116.1	F116 E117 T137	G114-F116 PolarHBondContact O-N 3.14Å; G114-E117 WeakPolarHBondContact O-CB 3.24Å; G114-E117 PolarHBondContact O-N 2.83Å; G114-T137 PolarHBondContact N-O 3.09Å
115	I	85.4	Confident	86.9	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-29.6	179.4	-171.4	166	0	0	0	112.7	V81 L84 R85 L88 Q92 L111 T113	V81-I115 HydrophobicContact CG1-CD1 4.06Å; L84-I115 HydrophobicContact CB-CD1 4.47Å; L84-I115 HydrophobicContact CD2-CD1 3.71Å; L84-I115 HydrophobicContact CG-CD1 3.97Å; R85-I115 HydrophobicContact CB-CD1 4.38Å; R85-I115 HydrophobicContact CB-CG1 4.4Å; L88-I115 HydrophobicContact CD1-CG1 4.41Å; Q92-I115 PolarHBondContact NE2-O 3Å; L111-I115 HydrophobicContact CD1-CG2 4.12Å; L111-I115 HydrophobicContact CG-CG2 4.34Å; T113-I115 VanDerWaalsContact C-N 3.27Å; T113-I115 PolarHBondContact O-N 3.04Å
116	F	90.9	Very high	87.8	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.2	14.4	178.6	-48.9	-56.5	0	0	0	113.6	L88 L101 L111 G114 R118 M119 I121 L124 L126 F139 I143	L88-F116 HydrophobicContact CD1-CD1 4.39Å; L88-F116 HydrophobicContact CD1-CE1 3.83Å; L101-F116 HydrophobicContact CD2-CD1 3.97Å; L101-F116 HydrophobicContact CD2-CE1 3.57Å; L101-F116 HydrophobicContact CD2-CZ 4.43Å; L111-F116 HydrophobicContact CD1-CE2 4.37Å; L111-F116 HydrophobicContact CD2-CE2 4.02Å; G114-F116 PolarHBondContact O-N 3.14Å; F116-R118 VanDerWaalsContact C-N 3.29Å; F116-R118 PolarHBondContact O-N 3.07Å; F116-R118 VanDerWaalsContact O-N 3.14Å; F116-M119 HydrophobicContact CB-SD 4.46Å; F116-M119 HydrophobicContact CD1-SD 3.87Å; F116-M119 PolarHBondContact O-N 3.29Å; F116-M119 VanDerWaalsContact O-N 3.12Å; F116-I121 HydrophobicContact CB-CD1 4.31Å; F116-I121 HydrophobicContact CD1-CD1 4.04Å; F116-I121 HydrophobicContact CG-CD1 4.3Å; F116-L124 HydrophobicContact CD2-CD2 3.98Å; F116-L124 HydrophobicContact CE2-CD2 3.68Å; F116-L124 HydrophobicContact CZ-CD1 4.22Å; F116-L124 HydrophobicContact CZ-CD2 4.2Å; F116-L126 HydrophobicContact CE2-CD2 4.47Å; F116-L126 HydrophobicContact CZ-CD2 4.09Å; F116-F139 AromaticContact CD2-CD1 3.92Å; F116-F139 HydrophobicContact CD2-CD1 3.92Å; F116-F139 AromaticContact CD2-CE1 3.85Å; F116-F139 HydrophobicContact CD2-CE1 3.85Å; F116-F139 HydrophobicContact CE2-CD1 4.42Å; F116-F139 AromaticContact CE2-CE1 3.89Å; F116-F139 HydrophobicContact CE2-CE1 3.89Å; F116-I143 HydrophobicContact CB-CB 4.48Å; F116-I143 HydrophobicContact CB-CD1 3.58Å; F116-I143 HydrophobicContact CB-CG2 4.44Å; F116-I143 HydrophobicContact CD2-CD1 4.13Å; F116-I143 HydrophobicContact CG-CD1 4.05Å
117	E	87.3	Confident	88.4	Confident	87 Å²	87	48.9 Å²	48.9	41%	0.407	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-37.8	-164.8	-172.4	179.4	-169.6	0	0	114.3	G114 S140 I142	G114-E117 WeakPolarHBondContact O-CB 3.24Å; G114-E117 PolarHBondContact O-N 2.83Å; E117-S140 WeakPolarHBondContact CA-O 3.46Å; E117-I142 PolarHBondContact O-N 3.12Å
118	R	89.2	Confident	89.2	Confident	159 Å²	159	48.5 Å²	48.5	60%	0.6	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.7	23.1	-176.9	-60.2	-175.2	-178.2	-170	-0.1	113.1	Q92 F116	Q92-R118 HydrophobicContact CB-CB 4.2Å; F116-R118 VanDerWaalsContact C-N 3.29Å; F116-R118 PolarHBondContact O-N 3.07Å; F116-R118 VanDerWaalsContact O-N 3.14Å
119	M	90.1	Very high	89.8	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	22%	0.221	C	C	.	.			trans	-107.6	136.3	-177	-61	-173.2	162.3	0	0	111.4	L88 L91 Q92 F116 I121	L88-M119 HydrophobicContact CB-CE 3.58Å; L88-M119 HydrophobicContact CD1-CE 4.38Å; L88-M119 HydrophobicContact CD2-CE 4.3Å; L88-M119 HydrophobicContact CG-CE 4.3Å; L88-M119 WeakPolarHBondContact O-CE 3.48Å; L91-M119 HydrophobicContact CB-CE 3.92Å; Q92-M119 HydrophobicContact CG-CE 3.33Å; Q92-M119 HydrophobicContact CG-CG 3.89Å; Q92-M119 HydrophobicContact CG-SD 4.42Å; F116-M119 HydrophobicContact CB-SD 4.46Å; F116-M119 HydrophobicContact CD1-SD 3.87Å; F116-M119 PolarHBondContact O-N 3.29Å; F116-M119 VanDerWaalsContact O-N 3.12Å; M119-I121 HydrophobicContact CB-CD1 3.81Å; M119-I121 HydrophobicContact CB-CG1 3.66Å; M119-I121 PolarHBondContact O-N 2.84Å; M119-I121 HydrophobicContact SD-CD1 4.02Å
120	Y	91.1	Very high	90.2	Very high	73 Å²	73	43.9 Å²	43.9	29%	0.286	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	87.8	174.4	-65.5	-97.6	0	0	0	108.3	N95 I98 I142 T146	N95-Y120 HydrophobicContact CB-CE2 4.08Å; I98-Y120 PolarHBondContact N-O 3.1Å; Y120-I142 HydrophobicContact CD1-CG2 3.57Å; Y120-I142 HydrophobicContact CD2-CG2 4.29Å; Y120-I142 HydrophobicContact CE1-CD1 4.49Å; Y120-I142 HydrophobicContact CE1-CG2 3.49Å; Y120-I142 VanDerWaalsContact CE1-CG2 3.49Å; Y120-I142 HydrophobicContact CE2-CD1 3.89Å; Y120-I142 HydrophobicContact CE2-CG2 4.21Å; Y120-I142 HydrophobicContact CG-CG2 3.98Å; Y120-T146 HydrophobicContact CD1-CG2 3.97Å
121	I	93.6	Very high	90.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	121.8	-173.6	-52.8	-175.8	0	0	0	109.7	I98 L101 F116 M119 R123 L124 I143 T146 L147	I98-I121 HydrophobicContact CB-CG1 4.3Å; I98-I121 HydrophobicContact CD1-CG1 4.12Å; I98-I121 WeakPolarHBondContact O-CA 3.44Å; L101-I121 HydrophobicContact CB-CD1 4.27Å; L101-I121 HydrophobicContact CB-CG2 4.28Å; L101-I121 HydrophobicContact CD2-CD1 3.69Å; F116-I121 HydrophobicContact CB-CD1 4.31Å; F116-I121 HydrophobicContact CD1-CD1 4.04Å; F116-I121 HydrophobicContact CG-CD1 4.3Å; M119-I121 HydrophobicContact CB-CD1 3.81Å; M119-I121 HydrophobicContact CB-CG1 3.66Å; M119-I121 PolarHBondContact O-N 2.84Å; M119-I121 HydrophobicContact SD-CD1 4.02Å; I121-R123 WeakPolarHBondContact CG2-O 3.34Å; I121-L124 HydrophobicContact CG2-CB 4.22Å; I121-I143 HydrophobicContact CB-CD1 4.34Å; I121-I143 HydrophobicContact CD1-CD1 4.08Å; I121-T146 PolarHBondContact N-OG1 3.28Å; I121-T146 CarbonylContact O-C 3.21Å; I121-T146 PolarHBondContact O-OG1 2.91Å; I121-L147 HydrophobicContact CB-CD1 4.42Å; I121-L147 HydrophobicContact CG2-CD1 4Å; I121-L147 WeakPolarHBondContact O-CA 3.24Å; I121-L147 PolarHBondContact O-N 2.72Å
122	S	95.3	Very high	90.9	Very high	40 Å²	40	47.5 Å²	47.5	28%	0.28	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	-40.5	174.7	-62.7	0	0	0	0	112.3	I98 E148 S149	I98-S122 PolarHBondContact O-N 2.86Å; S122-E148 PolarHBondContact O-N 3.01Å; S122-S149 PolarHBondContact O-N 3.32Å
123	R	97.8	Very high	91.3	Very high	132 Å²	132	47.6 Å²	47.6	50%	0.498	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	131.5	179.9	-51.8	-175.9	179	178.8	-0.2	110.6	L99 L100 L101 I121 S149	L99-R123 VanDerWaalsContact O-CB 3.28Å; L99-R123 WeakPolarHBondContact O-CB 3.15Å; L99-R123 WeakPolarHBondContact O-CG 3.18Å; L99-R123 PolarHBondContact O-N 2.89Å; L100-R123 CarbonylContact C-O 3.55Å; L100-R123 VanDerWaalsContact CA-O 3.29Å; L100-R123 WeakPolarHBondContact CA-O 3.46Å; L100-R123 HydrophobicContact CB-CB 4.38Å; L100-R123 HydrophobicContact CD1-CB 3.68Å; L101-R123 PolarHBondContact N-O 2.88Å; I121-R123 WeakPolarHBondContact CG2-O 3.34Å; R123-S149 WeakPolarHBondContact CA-O 3.14Å
124	L	96.9	Very high	92	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	126.4	178.4	-179.7	60.9	0	0	0	109.5	L101 F116 I121 L126 F139 I143 L147 S149 L150 D151	L101-L124 HydrophobicContact CB-CD1 3.86Å; L101-L124 HydrophobicContact CD2-CD1 3.83Å; L101-L124 HydrophobicContact CG-CD1 3.79Å; L101-L124 WeakPolarHBondContact O-CA 3.4Å; F116-L124 HydrophobicContact CD2-CD2 3.98Å; F116-L124 HydrophobicContact CE2-CD2 3.68Å; F116-L124 HydrophobicContact CZ-CD1 4.22Å; F116-L124 HydrophobicContact CZ-CD2 4.2Å; I121-L124 HydrophobicContact CG2-CB 4.22Å; L124-L126 HydrophobicContact CD1-CD2 3.88Å; L124-L126 HydrophobicContact CD1-CG 4.29Å; L124-L126 HydrophobicContact CD2-CD1 4.18Å; L124-L126 HydrophobicContact CD2-CD2 4.36Å; L124-L126 HydrophobicContact CD2-CG 4.17Å; L124-L126 HydrophobicContact CG-CD2 4.15Å; L124-L126 HydrophobicContact CG-CG 4.01Å; L124-F139 HydrophobicContact CD2-CD1 4.41Å; L124-F139 HydrophobicContact CD2-CE1 3.63Å; L124-F139 HydrophobicContact CD2-CZ 4.41Å; L124-I143 HydrophobicContact CD2-CD1 4.28Å; L124-L147 HydrophobicContact CB-CD1 3.61Å; L124-L147 HydrophobicContact CB-CD2 4.4Å; L124-S149 PolarHBondContact N-O 3.18Å; L124-L150 HydrophobicContact CB-CD1 4.01Å; L124-L150 HydrophobicContact CD2-CD1 3.96Å; L124-L150 HydrophobicContact CG-CD1 4.02Å; L124-L150 WeakPolarHBondContact O-CA 3.5Å; L124-D151 PolarHBondContact O-N 3.04Å
125	S	96.7	Very high	92.8	Very high	13 Å²	13	49.1 Å²	49.1	9%	0.091	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	121.1	169.2	179.4	0	0	0	0	108.7	L101 V103 D151	L101-S125 PolarHBondContact O-N 3.2Å; V103-S125 PolarHBondContact N-O 3.36Å; S125-D151 WeakPolarHBondContact CA-O 3.45Å; S125-D151 PolarHBondContact OG-OD2 3.01Å
126	L	95.3	Very high	93.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	24%	0.239	C	C	.	.			trans	-114	37.4	173.1	-57.1	177.9	0	0	0	110	V103 L111 F116 L124 N129 L131 F139 D151 L152 N155	V103-L126 HydrophobicContact CB-CD2 3.77Å; V103-L126 HydrophobicContact CG2-CD2 3.91Å; V103-L126 CarbonylContact O-C 3.58Å; V103-L126 WeakPolarHBondContact O-CA 3.49Å; L111-L126 HydrophobicContact CD2-CD1 3.75Å; F116-L126 HydrophobicContact CE2-CD2 4.47Å; F116-L126 HydrophobicContact CZ-CD2 4.09Å; L124-L126 HydrophobicContact CD1-CD2 3.88Å; L124-L126 HydrophobicContact CD1-CG 4.29Å; L124-L126 HydrophobicContact CD2-CD1 4.18Å; L124-L126 HydrophobicContact CD2-CD2 4.36Å; L124-L126 HydrophobicContact CD2-CG 4.17Å; L124-L126 HydrophobicContact CG-CD2 4.15Å; L124-L126 HydrophobicContact CG-CG 4.01Å; L126-N129 WeakPolarHBondContact CA-ND2 3.15Å; L126-N129 PolarHBondContact O-ND2 2.57Å; L126-L131 HydrophobicContact CB-CD1 3.99Å; L126-L131 HydrophobicContact CD1-CD1 4.29Å; L126-F139 HydrophobicContact CD1-CE1 4.32Å; L126-F139 HydrophobicContact CD1-CZ 4.03Å; L126-D151 PolarHBondContact N-O 3.4Å; L126-L152 HydrophobicContact CB-CD2 4Å; L126-L152 HydrophobicContact CD1-CD2 3.95Å; L126-L152 HydrophobicContact CG-CD2 4.37Å; L126-N155 PolarHBondContact O-ND2 2.77Å
127	R	93.5	Very high	93.3	Very high	95 Å²	95	55.2 Å²	55.2	36%	0.358	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	144.7	-174.6	173	173.2	-174.1	177.4	6.4	112.1	V103 F104 N129 N153 D154	V103-R127 PolarHBondContact O-N 3.3Å; F104-R127 VanDerWaalsContact CA-O 3.24Å; F104-R127 WeakPolarHBondContact CA-O 3.25Å; F104-R127 VanDerWaalsContact CB-O 3.26Å; F104-R127 WeakPolarHBondContact CB-O 3.04Å; R127-N129 PolarHBondContact O-N 2.94Å; R127-N129 PolarHBondContact O-ND2 2.89Å; R127-N153 CarbonylContact C-O 3.59Å; R127-N153 WeakPolarHBondContact CA-O 3.26Å; R127-N153 HydrophobicContact CG-CB 4.12Å; R127-N153 WeakPolarHBondContact CG-O 3.45Å; R127-D154 HydrophobicContact CG-CB 4.36Å; R127-D154 IonicContact CZ-OD2 3.77Å; R127-D154 IonicContact NE-OD2 2.8Å; R127-D154 PolarHBondContact NE-OD2 2.63Å; R127-D154 IonicContact NH2-OD2 3.54Å; R127-D154 PolarHBondContact NH2-OD2 2.64Å
128	K	92.4	Very high	93.6	Very high	110 Å²	110	51.1 Å²	51.1	48%	0.478	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	48	175.4	-67.7	-179.3	179.2	-175	0	113.7	Q105 N153 D154	Q105-K128 VanDerWaalsContact CA-O 3.27Å; Q105-K128 WeakPolarHBondContact CA-O 3.31Å; Q105-K128 PolarHBondContact N-O 3.01Å; K128-N153 PolarHBondContact N-O 2.77Å; K128-D154 VanDerWaalsContact CA-O 3.24Å; K128-D154 WeakPolarHBondContact CA-O 3.49Å; K128-D154 HydrophobicContact CB-CB 4.44Å; K128-D154 WeakPolarHBondContact CE-OD2 3.32Å; K128-D154 HydrophobicContact CG-CB 3.44Å; K128-D154 VanDerWaalsContact CG-CB 3.44Å; K128-D154 PolarHBondContact N-O 3.28Å
129	N	91.7	Very high	93.9	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.016	21%	0.21	C	C	.	.	S	Bend	trans	-114.5	7.1	177.1	-66.2	-52.9	0	0	0	114	V103 F104 Q105 T106 M108 L126 R127 L131 N155	V103-N129 PolarHBondContact O-ND2 2.9Å; F104-N129 VanDerWaalsContact C-OD1 3.25Å; F104-N129 VanDerWaalsContact CA-OD1 3.28Å; F104-N129 WeakPolarHBondContact CA-OD1 3.49Å; Q105-N129 PolarHBondContact N-OD1 2.79Å; T106-N129 WeakPolarHBondContact CB-OD1 3.45Å; T106-N129 PolarHBondContact N-OD1 3.08Å; T106-N129 CarbonylContact O-C 3.49Å; T106-N129 VanDerWaalsContact O-C 3.27Å; T106-N129 WeakPolarHBondContact O-CA 3.36Å; T106-N129 WeakPolarHBondContact O-CB 3.06Å; T106-N129 PolarHBondContact O-OD1 3.35Å; T106-N129 PolarHBondContact OG1-OD1 2.94Å; M108-N129 CarbonylContact C-O 3.25Å; M108-N129 HydrophobicContact CE-CB 4.47Å; M108-N129 PolarHBondContact N-O 3.4Å; M108-N129 VanDerWaalsContact N-O 3.16Å; L126-N129 WeakPolarHBondContact CA-ND2 3.15Å; L126-N129 PolarHBondContact O-ND2 2.57Å; R127-N129 PolarHBondContact O-N 2.94Å; R127-N129 PolarHBondContact O-ND2 2.89Å; N129-L131 HydrophobicContact CB-CD1 4.13Å; N129-L131 HydrophobicContact CB-CG 4.04Å; N129-L131 PolarHBondContact O-N 3.36Å; N129-L131 VanDerWaalsContact O-N 3.17Å; N129-N155 WeakPolarHBondContact CA-OD1 3.4Å; N129-N155 PolarHBondContact N-OD1 3.06Å
130	G	91.6	Very high	94	Very high	22 Å²	22	44.8 Å²	44.8	23%	0.227	22%	0.219	C	C	.	.			trans	64	20.2	-178.6	0	0	0	0	0	113.7	R132 N155	G130-R132 PolarHBondContact O-N 3.08Å; G130-N155 PolarHBondContact N-OD1 2.88Å; G130-N155 VanDerWaalsContact N-OD1 3.13Å
131	L	93.6	Very high	94.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.219	C	C	.	.			trans	-65.1	126.1	-176.6	-73.4	162.8	0	0	0	110.5	M108 K109 L111 L126 N129 N155 D156 F157	M108-L131 HydrophobicContact CB-CD2 4.32Å; M108-L131 WeakPolarHBondContact O-CD2 3.24Å; M108-L131 WeakPolarHBondContact O-CG 3.4Å; K109-L131 WeakPolarHBondContact O-CA 3.38Å; L111-L131 HydrophobicContact CB-CD2 3.87Å; L126-L131 HydrophobicContact CB-CD1 3.99Å; L126-L131 HydrophobicContact CD1-CD1 4.29Å; N129-L131 HydrophobicContact CB-CD1 4.13Å; N129-L131 HydrophobicContact CB-CG 4.04Å; N129-L131 PolarHBondContact O-N 3.36Å; N129-L131 VanDerWaalsContact O-N 3.17Å; L131-N155 HydrophobicContact CB-CB 4.13Å; L131-N155 PolarHBondContact N-OD1 2.84Å; L131-D156 CarbonylContact O-C 3.42Å; L131-D156 WeakPolarHBondContact O-CA 3.46Å; L131-D156 PolarHBondContact O-N 2.89Å; L131-F157 HydrophobicContact CB-CE1 4.28Å; L131-F157 HydrophobicContact CB-CE2 3.88Å; L131-F157 HydrophobicContact CB-CZ 3.54Å; L131-F157 HydrophobicContact CD1-CZ 4.45Å; L131-F157 PolarHBondContact O-N 3.02Å
132	R	94.6	Very high	94	Very high	149 Å²	149	45.1 Å²	45.1	56%	0.562	23%	0.232	S	C	*	.			trans	-103.2	-30.5	173.7	-67	179.3	-175.8	-164.5	0.9	112	K109 G130 D156 F157	K109-R132 PolarHBondContact O-N 2.02Å; G130-R132 PolarHBondContact O-N 3.08Å; R132-D156 HydrophobicContact CG-CB 3.55Å; R132-D156 IonicContact NE-OD2 3.31Å; R132-D156 IonicContact NH2-OD2 3.4Å; R132-F157 VanDerWaalsContact O-CD1 3.31Å; R132-F157 WeakPolarHBondContact O-CD1 3.36Å
133	S	93.9	Very high	94	Very high	45 Å²	45	43.2 Å²	43.2	32%	0.315	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	158.5	179.9	74.1	0	0	0	0	111.2	N110 L111	N110-S133 WeakPolarHBondContact CA-O 3.49Å; N110-S133 VanDerWaalsContact CG-OG 3.24Å; N110-S133 PolarHBondContact OD1-OG 2.69Å; L111-S133 PolarHBondContact N-O 2.87Å
134	I	94.9	Very high	93.9	Very high	14 Å²	14	39.4 Å²	39.4	7%	0.072	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	127.5	173.2	-60.8	177.1	0	0	0	106.3	L111 A138 F139 L152 F157 P161 A164	L111-I134 HydrophobicContact CB-CG1 4.25Å; L111-I134 HydrophobicContact CB-CG2 4.16Å; L111-I134 HydrophobicContact CD2-CG2 3.97Å; I134-A138 HydrophobicContact CG2-CB 3.51Å; I134-F139 HydrophobicContact CD1-CE2 3.82Å; I134-F139 HydrophobicContact CD1-CZ 4.07Å; I134-F139 HydrophobicContact CG2-CD2 4.29Å; I134-F139 HydrophobicContact CG2-CE2 3.83Å; I134-F139 HydrophobicContact CG2-CZ 4.35Å; I134-L152 HydrophobicContact CD1-CD1 4.05Å; I134-L152 HydrophobicContact CD1-CD2 4.06Å; I134-F157 HydrophobicContact CD1-CE1 4.26Å; I134-F157 HydrophobicContact CD1-CZ 3.72Å; I134-F157 HydrophobicContact CG1-CE1 3.9Å; I134-F157 HydrophobicContact CG1-CZ 3.68Å; I134-P161 HydrophobicContact CB-CB 4.46Å; I134-P161 HydrophobicContact CD1-CG 4.14Å; I134-A164 HydrophobicContact CB-CB 3.79Å; I134-A164 HydrophobicContact CG2-CB 3.42Å; I134-A164 VanDerWaalsContact CG2-CB 3.42Å
135	E	93.9	Very high	93.9	Very high	87 Å²	87	43 Å²	43	41%	0.407	23%	0.226	S	C	.	.			trans	-58.1	139	175	-74.2	-63.6	157.6	0	0	110.5	L111 T137 A138	L111-E135 WeakPolarHBondContact O-CB 3.47Å; L111-E135 WeakPolarHBondContact O-CG 3.4Å; L111-E135 PolarHBondContact O-N 2.99Å; E135-T137 PolarHBondContact O-N 2.83Å; E135-A138 HydrophobicContact CB-CB 4.42Å; E135-A138 VanDerWaalsContact O-CB 3.27Å; E135-A138 WeakPolarHBondContact O-CB 3.5Å; E135-A138 PolarHBondContact O-N 2.81Å
136	P	93.9	Very high	93.8	Very high	65 Å²	65	43.9 Å²	43.9	42%	0.422	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-25.4	-175.1	-30	36.4	0	0	0	115.1	E163	P136-E163 HydrophobicContact CB-CB 4.07Å; P136-E163 HydrophobicContact CG-CB 4.04Å
137	T	92.9	Very high	93.9	Very high	64 Å²	64	43.9 Å²	43.9	39%	0.393	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	11.4	-179	52	0	0	0	0	113.2	T113 G114 E135 F139 S140	T113-T137 WeakPolarHBondContact CG2-OG1 3.15Å; T113-T137 PolarHBondContact OG1-OG1 3.25Å; G114-T137 PolarHBondContact N-O 3.09Å; E135-T137 PolarHBondContact O-N 2.83Å; T137-F139 PolarHBondContact O-N 3.11Å; T137-S140 PolarHBondContact O-N 3.2Å; T137-S140 PolarHBondContact O-OG 3.23Å
138	A	92.4	Very high	94.2	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-33.3	176	0	0	0	0	0	112.6	L111 T112 I134 E135	L111-A138 HydrophobicContact CD2-CB 3.88Å; L111-A138 HydrophobicContact CG-CB 4.1Å; T112-A138 WeakPolarHBondContact O-CB 3.38Å; I134-A138 HydrophobicContact CG2-CB 3.51Å; E135-A138 HydrophobicContact CB-CB 4.42Å; E135-A138 VanDerWaalsContact O-CB 3.27Å; E135-A138 WeakPolarHBondContact O-CB 3.5Å; E135-A138 PolarHBondContact O-N 2.81Å
139	F	95	Very high	94.4	Very high	1 Å²	1	38.4 Å²	38.4	0%	0.004	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	30.4	176.9	-54.9	-56.7	0	0	0	113	L111 F116 L124 L126 I134 T137 I143 Q144 L150 A164 L165 L168	L111-F139 HydrophobicContact CD2-CE1 3.84Å; L111-F139 HydrophobicContact CD2-CZ 3.75Å; F116-F139 AromaticContact CD2-CD1 3.92Å; F116-F139 HydrophobicContact CD2-CD1 3.92Å; F116-F139 AromaticContact CD2-CE1 3.85Å; F116-F139 HydrophobicContact CD2-CE1 3.85Å; F116-F139 HydrophobicContact CE2-CD1 4.42Å; F116-F139 AromaticContact CE2-CE1 3.89Å; F116-F139 HydrophobicContact CE2-CE1 3.89Å; L124-F139 HydrophobicContact CD2-CD1 4.41Å; L124-F139 HydrophobicContact CD2-CE1 3.63Å; L124-F139 HydrophobicContact CD2-CZ 4.41Å; L126-F139 HydrophobicContact CD1-CE1 4.32Å; L126-F139 HydrophobicContact CD1-CZ 4.03Å; I134-F139 HydrophobicContact CD1-CE2 3.82Å; I134-F139 HydrophobicContact CD1-CZ 4.07Å; I134-F139 HydrophobicContact CG2-CD2 4.29Å; I134-F139 HydrophobicContact CG2-CE2 3.83Å; I134-F139 HydrophobicContact CG2-CZ 4.35Å; T137-F139 PolarHBondContact O-N 3.11Å; F139-I143 HydrophobicContact CB-CG2 4.26Å; F139-I143 HydrophobicContact CD1-CD1 4.24Å; F139-I143 WeakPolarHBondContact O-CG2 3.33Å; F139-Q144 WeakPolarHBondContact O-CG 3.44Å; F139-Q144 PolarHBondContact O-NE2 3.23Å; F139-L150 HydrophobicContact CE2-CD2 4.24Å; F139-L150 HydrophobicContact CZ-CD1 4.38Å; F139-L150 HydrophobicContact CZ-CD2 4.33Å; F139-A164 HydrophobicContact CD2-CB 4.2Å; F139-A164 HydrophobicContact CE2-CB 4.46Å; F139-L165 HydrophobicContact CD2-CD2 4.01Å; F139-L165 HydrophobicContact CE2-CD2 3.72Å; F139-L168 HydrophobicContact CB-CD2 3.89Å; F139-L168 HydrophobicContact CG-CD2 4.44Å
140	S	92.4	Very high	94.8	Very high	25 Å²	25	38.3 Å²	38.3	18%	0.175	21%	0.213	C	C	.	.			trans	-78.2	161.6	171.6	62.7	0	0	0	0	111.9	E117 T137	E117-S140 WeakPolarHBondContact CA-O 3.46Å; T137-S140 PolarHBondContact O-N 3.2Å; T137-S140 PolarHBondContact O-OG 3.23Å
141	G	93	Very high	95.1	Very high	29 Å²	29	38.8 Å²	38.8	30%	0.299	21%	0.211	S	C	.	.	S	Bend	trans	92.1	-151.8	177.2	0	0	0	0	0	113.3	I143 Q144	G141-I143 PolarHBondContact O-N 3.47Å; G141-Q144 WeakPolarHBondContact O-CB 3.47Å; G141-Q144 WeakPolarHBondContact O-CG 3.49Å; G141-Q144 PolarHBondContact O-N 3.09Å; G141-Q144 VanDerWaalsContact O-N 3.1Å
142	I	93	Very high	95.3	Very high	52 Å²	52	38.8 Å²	38.8	27%	0.267	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-61.3	-30.8	-170.8	-60.6	176.3	0	0	0	111.8	E117 Y120 Q144 D145 T146	E117-I142 PolarHBondContact O-N 3.12Å; Y120-I142 HydrophobicContact CD1-CG2 3.57Å; Y120-I142 HydrophobicContact CD2-CG2 4.29Å; Y120-I142 HydrophobicContact CE1-CD1 4.49Å; Y120-I142 HydrophobicContact CE1-CG2 3.49Å; Y120-I142 VanDerWaalsContact CE1-CG2 3.49Å; Y120-I142 HydrophobicContact CE2-CD1 3.89Å; Y120-I142 HydrophobicContact CE2-CG2 4.21Å; Y120-I142 HydrophobicContact CG-CG2 3.98Å; I142-Q144 PolarHBondContact O-N 3.36Å; I142-Q144 VanDerWaalsContact O-N 3.15Å; I142-D145 PolarHBondContact O-N 3.04Å; I142-T146 HydrophobicContact CG2-CG2 4.12Å; I142-T146 PolarHBondContact O-N 3.23Å; I142-T146 PolarHBondContact O-OG1 3.33Å
143	I	94.2	Very high	95.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-58	-29	178.3	-168	166.1	0	0	0	113.1	F116 I121 L124 F139 G141 D145 T146 L147	F116-I143 HydrophobicContact CB-CB 4.48Å; F116-I143 HydrophobicContact CB-CD1 3.58Å; F116-I143 HydrophobicContact CB-CG2 4.44Å; F116-I143 HydrophobicContact CD2-CD1 4.13Å; F116-I143 HydrophobicContact CG-CD1 4.05Å; I121-I143 HydrophobicContact CB-CD1 4.34Å; I121-I143 HydrophobicContact CD1-CD1 4.08Å; L124-I143 HydrophobicContact CD2-CD1 4.28Å; F139-I143 HydrophobicContact CB-CG2 4.26Å; F139-I143 HydrophobicContact CD1-CD1 4.24Å; F139-I143 WeakPolarHBondContact O-CG2 3.33Å; G141-I143 PolarHBondContact O-N 3.47Å; I143-D145 PolarHBondContact O-N 2.88Å; I143-T146 WeakPolarHBondContact CA-OG1 3.44Å; I143-T146 PolarHBondContact O-N 3.41Å; I143-L147 HydrophobicContact CD1-CD2 4.25Å; I143-L147 HydrophobicContact CG1-CB 3.86Å; I143-L147 HydrophobicContact CG1-CD2 4.23Å; I143-L147 HydrophobicContact CG1-CG 4.45Å; I143-L147 VanDerWaalsContact O-CB 3.31Å; I143-L147 WeakPolarHBondContact O-CB 3.3Å; I143-L147 PolarHBondContact O-N 2.92Å
144	Q	95.8	Very high	95.6	Very high	51 Å²	51	32.4 Å²	32.4	24%	0.238	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-61	-31	176	-65.8	-172.5	-28.9	0	0	112.7	F139 G141 I142 G167 K169	F139-Q144 WeakPolarHBondContact O-CG 3.44Å; F139-Q144 PolarHBondContact O-NE2 3.23Å; G141-Q144 WeakPolarHBondContact O-CB 3.47Å; G141-Q144 WeakPolarHBondContact O-CG 3.49Å; G141-Q144 PolarHBondContact O-N 3.09Å; G141-Q144 VanDerWaalsContact O-N 3.1Å; I142-Q144 PolarHBondContact O-N 3.36Å; I142-Q144 VanDerWaalsContact O-N 3.15Å; Q144-G167 WeakPolarHBondContact CB-O 3.34Å; Q144-K169 WeakPolarHBondContact O-CB 3.4Å; Q144-K169 PolarHBondContact O-N 2.6Å
145	D	96.5	Very high	95.6	Very high	78 Å²	78	32 Å²	32	42%	0.417	18%	0.182	S	C	.	.	G	3₁₀ helix	trans	-99.6	-0.2	-175.1	-69	-54.4	0	0	0	113.2	I142 I143 K169 Q170	I142-D145 PolarHBondContact O-N 3.04Å; I143-D145 PolarHBondContact O-N 2.88Å; D145-K169 VanDerWaalsContact CG-NZ 3.31Å; D145-K169 VanDerWaalsContact OD1-CD 3.24Å; D145-K169 WeakPolarHBondContact OD1-CD 3.32Å; D145-K169 WeakPolarHBondContact OD1-CE 3.15Å; D145-K169 IonicContact OD1-NZ 3.01Å; D145-K169 PolarHBondContact OD1-NZ 2.96Å; D145-K169 IonicContact OD2-NZ 3.68Å; D145-K169 PolarHBondContact OD2-NZ 3.23Å; D145-K169 VanDerWaalsContact OD2-NZ 3.11Å; D145-Q170 WeakPolarHBondContact O-CG 3.37Å
146	T	95.6	Very high	95.7	Very high	31 Å²	31	29.8 Å²	29.8	19%	0.19	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.9	-30.4	-175.7	51.6	0	0	0	0	113.8	Y120 I121 I142 I143 E148	Y120-T146 HydrophobicContact CD1-CG2 3.97Å; I121-T146 PolarHBondContact N-OG1 3.28Å; I121-T146 CarbonylContact O-C 3.21Å; I121-T146 PolarHBondContact O-OG1 2.91Å; I142-T146 HydrophobicContact CG2-CG2 4.12Å; I142-T146 PolarHBondContact O-N 3.23Å; I142-T146 PolarHBondContact O-OG1 3.33Å; I143-T146 WeakPolarHBondContact CA-OG1 3.44Å; I143-T146 PolarHBondContact O-N 3.41Å; T146-E148 PolarHBondContact O-N 3.05Å
147	L	97.6	Very high	95.9	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.153	C	C	.	.			trans	-73.2	113.3	-172.4	-168.2	68.5	0	0	0	112.8	I121 L124 I143 S149 L150 L168 Q170 L171	I121-L147 HydrophobicContact CB-CD1 4.42Å; I121-L147 HydrophobicContact CG2-CD1 4Å; I121-L147 WeakPolarHBondContact O-CA 3.24Å; I121-L147 PolarHBondContact O-N 2.72Å; L124-L147 HydrophobicContact CB-CD1 3.61Å; L124-L147 HydrophobicContact CB-CD2 4.4Å; I143-L147 HydrophobicContact CD1-CD2 4.25Å; I143-L147 HydrophobicContact CG1-CB 3.86Å; I143-L147 HydrophobicContact CG1-CD2 4.23Å; I143-L147 HydrophobicContact CG1-CG 4.45Å; I143-L147 VanDerWaalsContact O-CB 3.31Å; I143-L147 WeakPolarHBondContact O-CB 3.3Å; I143-L147 PolarHBondContact O-N 2.92Å; L147-S149 WeakPolarHBondContact CD1-O 3.34Å; L147-L150 HydrophobicContact CD2-CB 4.2Å; L147-L150 HydrophobicContact CD2-CD1 4.32Å; L147-L168 HydrophobicContact CB-CD2 4.31Å; L147-L168 HydrophobicContact CD2-CD1 4.04Å; L147-L168 HydrophobicContact CD2-CD2 3.96Å; L147-Q170 CarbonylContact O-C 3.57Å; L147-Q170 VanDerWaalsContact O-C 3.25Å; L147-L171 HydrophobicContact CG-CD1 4.45Å; L147-L171 WeakPolarHBondContact O-CA 3.19Å; L147-L171 PolarHBondContact O-N 3.01Å; L147-L171 VanDerWaalsContact O-N 3.16Å
148	E	98.3	Very high	96.1	Very high	62 Å²	62	30.4 Å²	30.4	29%	0.29	17%	0.166	S	C	.	.			trans	-99.2	-27.7	179	-59.8	-160	133.6	0	0	113.2	S122 T146 Q170 R172 H173	S122-E148 PolarHBondContact O-N 3.01Å; T146-E148 PolarHBondContact O-N 3.05Å; E148-Q170 HydrophobicContact CG-CB 4.31Å; E148-R172 PolarHBondContact O-N 3.48Å; E148-R172 IonicContact OE1-CZ 3.1Å; E148-R172 IonicContact OE1-NE 3.56Å; E148-R172 PolarHBondContact OE1-NE 3.01Å; E148-R172 IonicContact OE1-NH2 3.8Å; E148-R172 PolarHBondContact OE1-NH2 2.83Å; E148-H173 PolarHBondContact O-N 2.94Å; E148-H173 VanDerWaalsContact O-N 3.07Å
149	S	98.7	Very high	96.2	Very high	29 Å²	29	33.1 Å²	33.1	20%	0.203	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	128.1	-179.2	-173.4	0	0	0	0	111.3	S122 R123 L124 L147 H173	S122-S149 PolarHBondContact O-N 3.32Å; R123-S149 WeakPolarHBondContact CA-O 3.14Å; L124-S149 PolarHBondContact N-O 3.18Å; L147-S149 WeakPolarHBondContact CD1-O 3.34Å; S149-H173 WeakPolarHBondContact CA-O 3.27Å
150	L	98.6	Very high	96.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	122.2	175.9	-179.2	60.4	0	0	0	110.8	L124 F139 L147 L152 L165 L168 L171 H173 L174 S175	L124-L150 HydrophobicContact CB-CD1 4.01Å; L124-L150 HydrophobicContact CD2-CD1 3.96Å; L124-L150 HydrophobicContact CG-CD1 4.02Å; L124-L150 WeakPolarHBondContact O-CA 3.5Å; F139-L150 HydrophobicContact CE2-CD2 4.24Å; F139-L150 HydrophobicContact CZ-CD1 4.38Å; F139-L150 HydrophobicContact CZ-CD2 4.33Å; L147-L150 HydrophobicContact CD2-CB 4.2Å; L147-L150 HydrophobicContact CD2-CD1 4.32Å; L150-L152 HydrophobicContact CD1-CD2 4.02Å; L150-L152 HydrophobicContact CD1-CG 4.31Å; L150-L152 HydrophobicContact CD2-CD1 4.09Å; L150-L152 HydrophobicContact CD2-CD2 4.44Å; L150-L152 HydrophobicContact CD2-CG 4.2Å; L150-L152 HydrophobicContact CG-CD1 4.4Å; L150-L152 HydrophobicContact CG-CD2 4.23Å; L150-L152 HydrophobicContact CG-CG 3.99Å; L150-L165 HydrophobicContact CD2-CD2 3.35Å; L150-L168 HydrophobicContact CD2-CD1 4.06Å; L150-L171 HydrophobicContact CB-CD1 3.74Å; L150-H173 PolarHBondContact N-O 3.12Å; L150-L174 HydrophobicContact CB-CD1 4.23Å; L150-L174 HydrophobicContact CD2-CD1 4.16Å; L150-L174 HydrophobicContact CG-CD1 4.28Å; L150-L174 WeakPolarHBondContact O-CA 3.49Å; L150-S175 PolarHBondContact O-N 3Å
151	D	98.4	Very high	96.5	Very high	33 Å²	33	33.5 Å²	33.5	18%	0.176	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	113.7	176.3	168	19	0	0	0	109.8	L124 S125 L126 N153	L124-D151 PolarHBondContact O-N 3.04Å; S125-D151 WeakPolarHBondContact CA-O 3.45Å; S125-D151 PolarHBondContact OG-OD2 3.01Å; L126-D151 PolarHBondContact N-O 3.4Å; D151-N153 WeakPolarHBondContact OD1-CB 3.2Å; D151-N153 PolarHBondContact OD1-N 3.23Å; D151-N153 PolarHBondContact OD1-ND2 2.95Å; D151-N153 VanDerWaalsContact OD1-ND2 3.1Å; D151-N153 PolarHBondContact OD1-OD1 2.75Å
152	L	97.7	Very high	96.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.184	C	C	.	.			trans	-113.7	25.3	177.6	-62.1	177.7	0	0	0	111.4	L126 I134 L150 N155 F157 P161 L165 S175 L176 N179	L126-L152 HydrophobicContact CB-CD2 4Å; L126-L152 HydrophobicContact CD1-CD2 3.95Å; L126-L152 HydrophobicContact CG-CD2 4.37Å; I134-L152 HydrophobicContact CD1-CD1 4.05Å; I134-L152 HydrophobicContact CD1-CD2 4.06Å; L150-L152 HydrophobicContact CD1-CD2 4.02Å; L150-L152 HydrophobicContact CD1-CG 4.31Å; L150-L152 HydrophobicContact CD2-CD1 4.09Å; L150-L152 HydrophobicContact CD2-CD2 4.44Å; L150-L152 HydrophobicContact CD2-CG 4.2Å; L150-L152 HydrophobicContact CG-CD1 4.4Å; L150-L152 HydrophobicContact CG-CD2 4.23Å; L150-L152 HydrophobicContact CG-CG 3.99Å; L152-N155 PolarHBondContact O-ND2 2.93Å; L152-F157 HydrophobicContact CB-CE2 4.06Å; L152-F157 HydrophobicContact CD1-CE2 4.25Å; L152-F157 HydrophobicContact CD2-CE2 4.48Å; L152-F157 HydrophobicContact CG-CE2 4.5Å; L152-P161 HydrophobicContact CD1-CG 4.27Å; L152-L165 HydrophobicContact CD1-CD1 4.48Å; L152-S175 WeakPolarHBondContact CB-O 3.24Å; L152-S175 PolarHBondContact N-O 2.93Å; L152-L176 HydrophobicContact CB-CD2 3.97Å; L152-L176 HydrophobicContact CB-CG 4.44Å; L152-L176 HydrophobicContact CD1-CD2 3.84Å; L152-L176 HydrophobicContact CD1-CG 4.45Å; L152-N179 PolarHBondContact O-ND2 3.05Å
153	N	97.5	Very high	96.8	Very high	20 Å²	20	35.5 Å²	35.5	11%	0.107	19%	0.192	C	C	.	.			trans	-65.9	156.3	-172.4	-66.1	-11.7	0	0	0	113.5	R127 K128 D151 N155 S175 L176 A177	R127-N153 CarbonylContact C-O 3.59Å; R127-N153 WeakPolarHBondContact CA-O 3.26Å; R127-N153 HydrophobicContact CG-CB 4.12Å; R127-N153 WeakPolarHBondContact CG-O 3.45Å; K128-N153 PolarHBondContact N-O 2.77Å; D151-N153 WeakPolarHBondContact OD1-CB 3.2Å; D151-N153 PolarHBondContact OD1-N 3.23Å; D151-N153 PolarHBondContact OD1-ND2 2.95Å; D151-N153 VanDerWaalsContact OD1-ND2 3.1Å; D151-N153 PolarHBondContact OD1-OD1 2.75Å; N153-N155 VanDerWaalsContact C-N 3.31Å; N153-N155 PolarHBondContact O-N 3.13Å; N153-N155 PolarHBondContact O-ND2 3.28Å; N153-S175 PolarHBondContact ND2-OG 3.35Å; N153-S175 VanDerWaalsContact OD1-C 3.27Å; N153-S175 VanDerWaalsContact OD1-CB 3.27Å; N153-S175 WeakPolarHBondContact OD1-CB 3.29Å; N153-S175 PolarHBondContact OD1-O 2.79Å; N153-S175 PolarHBondContact OD1-OG 2.92Å; N153-L176 PolarHBondContact OD1-N 2.85Å; N153-A177 CarbonylContact C-O 3.55Å; N153-A177 WeakPolarHBondContact CA-O 3.27Å; N153-A177 HydrophobicContact CB-CB 4.41Å; N153-A177 WeakPolarHBondContact OD1-CB 3.26Å; N153-A177 PolarHBondContact OD1-N 3.04Å
154	D	96.7	Very high	96.8	Very high	39 Å²	39	35.7 Å²	35.7	21%	0.209	19%	0.194	C	C	.	.	S	Bend	trans	52.3	46.7	176.6	-58.1	-57.2	0	0	0	112.8	R127 K128 A177 N178	R127-D154 HydrophobicContact CG-CB 4.36Å; R127-D154 IonicContact CZ-OD2 3.77Å; R127-D154 IonicContact NE-OD2 2.8Å; R127-D154 PolarHBondContact NE-OD2 2.63Å; R127-D154 IonicContact NH2-OD2 3.54Å; R127-D154 PolarHBondContact NH2-OD2 2.64Å; K128-D154 VanDerWaalsContact CA-O 3.24Å; K128-D154 WeakPolarHBondContact CA-O 3.49Å; K128-D154 HydrophobicContact CB-CB 4.44Å; K128-D154 WeakPolarHBondContact CE-OD2 3.32Å; K128-D154 HydrophobicContact CG-CB 3.44Å; K128-D154 VanDerWaalsContact CG-CB 3.44Å; K128-D154 PolarHBondContact N-O 3.28Å; D154-A177 PolarHBondContact N-O 3.27Å; D154-N178 VanDerWaalsContact CA-O 3.3Å; D154-N178 WeakPolarHBondContact CA-O 3.33Å; D154-N178 WeakPolarHBondContact OD1-CB 3.2Å; D154-N178 PolarHBondContact OD1-ND2 2.9Å
155	N	95.9	Very high	96.9	Very high	6 Å²	6	33.3 Å²	33.3	3%	0.032	18%	0.183	C	C	.	.	S	Bend	trans	-115.1	-171.2	173	-77.6	-62.5	0	0	0	109.6	L126 N129 G130 L131 L152 N153 F157 N179	L126-N155 PolarHBondContact O-ND2 2.77Å; N129-N155 WeakPolarHBondContact CA-OD1 3.4Å; N129-N155 PolarHBondContact N-OD1 3.06Å; G130-N155 PolarHBondContact N-OD1 2.88Å; G130-N155 VanDerWaalsContact N-OD1 3.13Å; L131-N155 HydrophobicContact CB-CB 4.13Å; L131-N155 PolarHBondContact N-OD1 2.84Å; L152-N155 PolarHBondContact O-ND2 2.93Å; N153-N155 VanDerWaalsContact C-N 3.31Å; N153-N155 PolarHBondContact O-N 3.13Å; N153-N155 PolarHBondContact O-ND2 3.28Å; N155-F157 HydrophobicContact CB-CD2 3.76Å; N155-F157 HydrophobicContact CB-CE2 3.77Å; N155-N179 VanDerWaalsContact CA-OD1 3.3Å; N155-N179 WeakPolarHBondContact CA-OD1 3.19Å; N155-N179 WeakPolarHBondContact CB-OD1 3.16Å; N155-N179 PolarHBondContact N-OD1 2.98Å; N155-N179 PolarHBondContact O-OD1 3.05Å; N155-N179 VanDerWaalsContact O-OD1 3.04Å
156	D	96.5	Very high	96.9	Very high	41 Å²	41	35.4 Å²	35.4	22%	0.219	19%	0.185	C	C	.	.			trans	-107.6	24.9	-176	-80.3	-25	0	0	0	112.3	L131 R132 E158 N179 K180	L131-D156 CarbonylContact O-C 3.42Å; L131-D156 WeakPolarHBondContact O-CA 3.46Å; L131-D156 PolarHBondContact O-N 2.89Å; R132-D156 HydrophobicContact CG-CB 3.55Å; R132-D156 IonicContact NE-OD2 3.31Å; R132-D156 IonicContact NH2-OD2 3.4Å; D156-E158 PolarHBondContact O-N 3.26Å; D156-N179 PolarHBondContact N-OD1 3.06Å; D156-K180 VanDerWaalsContact CG-NZ 3.31Å; D156-K180 WeakPolarHBondContact OD1-CE 3.18Å; D156-K180 IonicContact OD1-NZ 2.56Å; D156-K180 PolarHBondContact OD1-NZ 3.08Å; D156-K180 IonicContact OD2-NZ 3.97Å
157	F	97	Very high	97	Very high	1 Å²	1	34.8 Å²	34.8	0%	0.004	18%	0.184	C	C	.	.			trans	-67.4	118.6	-178.2	-67.8	-67.3	0	0	0	111.6	L131 R132 I134 L152 N155 P161 L176 N179 K180 I181	L131-F157 HydrophobicContact CB-CE1 4.28Å; L131-F157 HydrophobicContact CB-CE2 3.88Å; L131-F157 HydrophobicContact CB-CZ 3.54Å; L131-F157 HydrophobicContact CD1-CZ 4.45Å; L131-F157 PolarHBondContact O-N 3.02Å; R132-F157 VanDerWaalsContact O-CD1 3.31Å; R132-F157 WeakPolarHBondContact O-CD1 3.36Å; I134-F157 HydrophobicContact CD1-CE1 4.26Å; I134-F157 HydrophobicContact CD1-CZ 3.72Å; I134-F157 HydrophobicContact CG1-CE1 3.9Å; I134-F157 HydrophobicContact CG1-CZ 3.68Å; L152-F157 HydrophobicContact CB-CE2 4.06Å; L152-F157 HydrophobicContact CD1-CE2 4.25Å; L152-F157 HydrophobicContact CD2-CE2 4.48Å; L152-F157 HydrophobicContact CG-CE2 4.5Å; N155-F157 HydrophobicContact CB-CD2 3.76Å; N155-F157 HydrophobicContact CB-CE2 3.77Å; F157-P161 HydrophobicContact CD1-CG 4.39Å; F157-P161 HydrophobicContact CE1-CB 4.4Å; F157-P161 HydrophobicContact CE1-CG 4.19Å; F157-L176 HydrophobicContact CD2-CD2 4.15Å; F157-N179 HydrophobicContact CB-CB 4.2Å; F157-N179 WeakPolarHBondContact CB-OD1 3.44Å; F157-N179 VanDerWaalsContact CD2-OD1 3.24Å; F157-N179 WeakPolarHBondContact CD2-OD1 3.4Å; F157-N179 PolarHBondContact N-OD1 3.49Å; F157-K180 CarbonylContact O-C 3.24Å; F157-K180 VanDerWaalsContact O-C 3.28Å; F157-K180 WeakPolarHBondContact O-CA 3.36Å; F157-K180 PolarHBondContact O-N 3.3Å; F157-I181 PolarHBondContact O-N 2.81Å
158	E	96.5	Very high	97	Very high	140 Å²	140	34.8 Å²	34.8	65%	0.654	18%	0.184	S	C	*	.	S	Bend	trans	-82.7	-17.4	172.8	-65.2	-179.9	-167.1	0	0	112.6	D156 K180 I181	D156-E158 PolarHBondContact O-N 3.26Å; E158-K180 HydrophobicContact CG-CB 4.22Å; E158-I181 WeakPolarHBondContact O-CA 3.39Å
159	A	95.8	Very high	97	Very high	58 Å²	58	35.7 Å²	35.7	48%	0.479	19%	0.187	S	C	.	.	S	Bend	trans	-149	159.8	176.4	0	0	0	0	0	110.6
160	I	96.9	Very high	96.9	Very high	15 Å²	15	36.3 Å²	36.3	8%	0.077	19%	0.187	C	C	.	.			trans	-65.3	127.1	175.3	-56.1	-168.9	0	0	0	109.1	V162 L165 L176 I181 V184 T188 F189 F192 L203	I160-V162 HydrophobicContact CG2-CG2 4.38Å; I160-V162 PolarHBondContact O-N 3.39Å; I160-L165 HydrophobicContact CG2-CD1 4.4Å; I160-L176 HydrophobicContact CB-CD1 4.44Å; I160-L176 HydrophobicContact CD1-CD1 4.19Å; I160-L176 HydrophobicContact CG1-CD1 4.05Å; I160-L176 HydrophobicContact CG2-CD1 3.94Å; I160-I181 HydrophobicContact CG1-CD1 3.92Å; I160-V184 HydrophobicContact CD1-CG1 4.3Å; I160-V184 HydrophobicContact CD1-CG2 4.44Å; I160-T188 HydrophobicContact CB-CG2 3.87Å; I160-T188 HydrophobicContact CD1-CG2 3.84Å; I160-T188 HydrophobicContact CG1-CG2 4.22Å; I160-T188 HydrophobicContact CG2-CG2 4.12Å; I160-F189 HydrophobicContact CD1-CE1 3.91Å; I160-F189 HydrophobicContact CD1-CE2 4.16Å; I160-F189 HydrophobicContact CD1-CZ 3.35Å; I160-F189 HydrophobicContact CG2-CE1 4.29Å; I160-F192 HydrophobicContact CG2-CZ 4.39Å; I160-L203 HydrophobicContact CD1-CD2 3.88Å
161	P	96.1	Very high	96.9	Very high	18 Å²	18	36.3 Å²	36.3	12%	0.117	19%	0.187	C	C	.	.			trans	-78.1	66.3	-176.2	31.1	-34.9	0	0	0	112.3	I134 L152 F157 E163 A164 L165	I134-P161 HydrophobicContact CB-CB 4.46Å; I134-P161 HydrophobicContact CD1-CG 4.14Å; L152-P161 HydrophobicContact CD1-CG 4.27Å; F157-P161 HydrophobicContact CD1-CG 4.39Å; F157-P161 HydrophobicContact CE1-CB 4.4Å; F157-P161 HydrophobicContact CE1-CG 4.19Å; P161-E163 VanDerWaalsContact C-N 3.32Å; P161-E163 PolarHBondContact O-N 2.64Å; P161-A164 PolarHBondContact O-N 2.56Å; P161-L165 HydrophobicContact CG-CD1 4.01Å; P161-L165 HydrophobicContact CG-CG 4.17Å; P161-L165 WeakPolarHBondContact O-CG 3.36Å; P161-L165 PolarHBondContact O-N 3.39Å
162	V	96.6	Very high	96.9	Very high	32 Å²	32	38.6 Å²	38.6	19%	0.194	19%	0.193	C	C	.	.	H	α-helix	trans	-51.5	-46	-172	175.6	0	0	0	0	113	I160 A164 L165 R166 T188 A191 F192	I160-V162 HydrophobicContact CG2-CG2 4.38Å; I160-V162 PolarHBondContact O-N 3.39Å; V162-A164 VanDerWaalsContact C-N 3.28Å; V162-A164 PolarHBondContact O-N 3.01Å; V162-L165 PolarHBondContact O-N 3.35Å; V162-L165 VanDerWaalsContact O-N 3.16Å; V162-R166 WeakPolarHBondContact O-CB 3.38Å; V162-R166 PolarHBondContact O-N 3.47Å; V162-T188 HydrophobicContact CG2-CG2 3.79Å; V162-T188 WeakPolarHBondContact CG2-O 3.44Å; V162-A191 HydrophobicContact CG1-CB 4.24Å; V162-F192 HydrophobicContact CB-CE1 4.42Å; V162-F192 HydrophobicContact CG1-CE1 4.11Å; V162-F192 HydrophobicContact CG2-CE1 4.37Å
163	E	95.4	Very high	97	Very high	91 Å²	91	42.3 Å²	42.3	43%	0.425	21%	0.211	S	C	.	.	H	α-helix	trans	-62.8	-32.6	-174.8	-66.7	-54.7	126.1	0	0	113.6	P136 P161 R166	P136-E163 HydrophobicContact CB-CB 4.07Å; P136-E163 HydrophobicContact CG-CB 4.04Å; P161-E163 VanDerWaalsContact C-N 3.32Å; P161-E163 PolarHBondContact O-N 2.64Å; E163-R166 WeakPolarHBondContact O-CG 3.29Å; E163-R166 IonicContact OE1-NH1 2.87Å; E163-R166 IonicContact OE2-CZ 3.45Å; E163-R166 IonicContact OE2-NE 2.6Å; E163-R166 PolarHBondContact OE2-NE 2.85Å; E163-R166 IonicContact OE2-NH1 3.9Å; E163-R166 PolarHBondContact OE2-NH1 3.13Å; E163-R166 IonicContact OE2-NH2 3.9Å
164	A	95.6	Very high	97	Very high	5 Å²	5	41.5 Å²	41.5	4%	0.041	21%	0.206	C	C	.	.	H	α-helix	trans	-80	-34.9	176.3	0	0	0	0	0	112.4	I134 F139 P161 V162	I134-A164 HydrophobicContact CB-CB 3.79Å; I134-A164 HydrophobicContact CG2-CB 3.42Å; I134-A164 VanDerWaalsContact CG2-CB 3.42Å; F139-A164 HydrophobicContact CD2-CB 4.2Å; F139-A164 HydrophobicContact CE2-CB 4.46Å; P161-A164 PolarHBondContact O-N 2.56Å; V162-A164 VanDerWaalsContact C-N 3.28Å; V162-A164 PolarHBondContact O-N 3.01Å
165	L	97.1	Very high	97.1	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-86.8	-22.2	-173.7	-58.2	-173.9	0	0	0	113.5	F139 L150 L152 I160 P161 V162 G167 L168 L174 F192	F139-L165 HydrophobicContact CD2-CD2 4.01Å; F139-L165 HydrophobicContact CE2-CD2 3.72Å; L150-L165 HydrophobicContact CD2-CD2 3.35Å; L152-L165 HydrophobicContact CD1-CD1 4.48Å; I160-L165 HydrophobicContact CG2-CD1 4.4Å; P161-L165 HydrophobicContact CG-CD1 4.01Å; P161-L165 HydrophobicContact CG-CG 4.17Å; P161-L165 WeakPolarHBondContact O-CG 3.36Å; P161-L165 PolarHBondContact O-N 3.39Å; V162-L165 PolarHBondContact O-N 3.35Å; V162-L165 VanDerWaalsContact O-N 3.16Å; L165-G167 PolarHBondContact O-N 3.47Å; L165-L168 HydrophobicContact CD2-CD1 3.91Å; L165-L168 PolarHBondContact O-N 3.39Å; L165-L168 VanDerWaalsContact O-N 3.12Å; L165-L174 HydrophobicContact CD1-CD1 4.08Å; L165-L174 HydrophobicContact CD1-CD2 4.02Å; L165-F192 HydrophobicContact CB-CE1 4.2Å; L165-F192 HydrophobicContact CB-CE2 4.02Å; L165-F192 HydrophobicContact CB-CZ 3.68Å; L165-F192 HydrophobicContact CD1-CE2 4.41Å; L165-F192 HydrophobicContact CD1-CZ 4.06Å
166	R	96.8	Very high	97.3	Very high	122 Å²	122	40.3 Å²	40.3	46%	0.46	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-29.4	-172.1	69.4	-175.1	-175.5	170.5	9	114.2	V162 E163 A191 A193	V162-R166 WeakPolarHBondContact O-CB 3.38Å; V162-R166 PolarHBondContact O-N 3.47Å; E163-R166 WeakPolarHBondContact O-CG 3.29Å; E163-R166 IonicContact OE1-NH1 2.87Å; E163-R166 IonicContact OE2-CZ 3.45Å; E163-R166 IonicContact OE2-NE 2.6Å; E163-R166 PolarHBondContact OE2-NE 2.85Å; E163-R166 IonicContact OE2-NH1 3.9Å; E163-R166 PolarHBondContact OE2-NH1 3.13Å; E163-R166 IonicContact OE2-NH2 3.9Å; R166-A191 HydrophobicContact CB-CB 4.34Å; R166-A193 WeakPolarHBondContact O-CB 3.39Å; R166-A193 PolarHBondContact O-N 2.96Å
167	G	96.9	Very high	97.4	Very high	18 Å²	18	38.5 Å²	38.5	19%	0.186	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-12.2	-177	0	0	0	0	0	115.2	Q144 L165 K169	Q144-G167 WeakPolarHBondContact CB-O 3.34Å; L165-G167 PolarHBondContact O-N 3.47Å; G167-K169 WeakPolarHBondContact O-CG 3.26Å; G167-K169 PolarHBondContact O-N 3.1Å; G167-K169 VanDerWaalsContact O-N 3.14Å
168	L	97.9	Very high	97.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.206	C	C	.	.			trans	-72.6	105.9	-177.2	-62.6	173.6	0	0	0	110.1	F139 L147 L150 L165 L171 S194	F139-L168 HydrophobicContact CB-CD2 3.89Å; F139-L168 HydrophobicContact CG-CD2 4.44Å; L147-L168 HydrophobicContact CB-CD2 4.31Å; L147-L168 HydrophobicContact CD2-CD1 4.04Å; L147-L168 HydrophobicContact CD2-CD2 3.96Å; L150-L168 HydrophobicContact CD2-CD1 4.06Å; L165-L168 HydrophobicContact CD2-CD1 3.91Å; L165-L168 PolarHBondContact O-N 3.39Å; L165-L168 VanDerWaalsContact O-N 3.12Å; L168-L171 HydrophobicContact CB-CB 4.18Å; L168-L171 HydrophobicContact CD1-CD1 4.45Å; L168-L171 HydrophobicContact CD1-CD2 4.16Å; L168-S194 WeakPolarHBondContact O-CB 3.34Å; L168-S194 PolarHBondContact O-N 3.29Å; L168-S194 PolarHBondContact O-OG 2.89Å
169	K	98	Very high	97.5	Very high	81 Å²	81	34.7 Å²	34.7	35%	0.352	18%	0.176	S	C	.	.	S	Bend	trans	-84.7	-28.6	-170.7	-48.8	-171	-156.9	137.7	0	113	Q144 D145 G167 A193 R197	Q144-K169 WeakPolarHBondContact O-CB 3.4Å; Q144-K169 PolarHBondContact O-N 2.6Å; D145-K169 VanDerWaalsContact CG-NZ 3.31Å; D145-K169 VanDerWaalsContact OD1-CD 3.24Å; D145-K169 WeakPolarHBondContact OD1-CD 3.32Å; D145-K169 WeakPolarHBondContact OD1-CE 3.15Å; D145-K169 IonicContact OD1-NZ 3.01Å; D145-K169 PolarHBondContact OD1-NZ 2.96Å; D145-K169 IonicContact OD2-NZ 3.68Å; D145-K169 PolarHBondContact OD2-NZ 3.23Å; D145-K169 VanDerWaalsContact OD2-NZ 3.11Å; G167-K169 WeakPolarHBondContact O-CG 3.26Å; G167-K169 PolarHBondContact O-N 3.1Å; G167-K169 VanDerWaalsContact O-N 3.14Å; K169-A193 HydrophobicContact CG-CB 4.1Å; K169-R197 WeakPolarHBondContact O-CD 3.46Å; K169-R197 PolarHBondContact O-NE 2.81Å
170	Q	97.7	Very high	97.6	Very high	42 Å²	42	35.8 Å²	35.8	20%	0.196	17%	0.17	C	C	.	.	S	Bend	trans	-96.3	-2	-176.4	-56.2	-55.9	-42.7	0	0	114.3	D145 L147 E148 R172	D145-Q170 WeakPolarHBondContact O-CG 3.37Å; L147-Q170 CarbonylContact O-C 3.57Å; L147-Q170 VanDerWaalsContact O-C 3.25Å; E148-Q170 HydrophobicContact CG-CB 4.31Å; Q170-R172 WeakPolarHBondContact O-CG 3.45Å; Q170-R172 PolarHBondContact O-N 3.11Å
171	L	98.6	Very high	97.7	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.167	C	C	.	.			trans	-60.7	125.8	-170.4	-161.8	69.5	0	0	0	112.1	L147 L150 L168 L174 S194 R197 L198	L147-L171 HydrophobicContact CG-CD1 4.45Å; L147-L171 WeakPolarHBondContact O-CA 3.19Å; L147-L171 PolarHBondContact O-N 3.01Å; L147-L171 VanDerWaalsContact O-N 3.16Å; L150-L171 HydrophobicContact CB-CD1 3.74Å; L168-L171 HydrophobicContact CB-CB 4.18Å; L168-L171 HydrophobicContact CD1-CD1 4.45Å; L168-L171 HydrophobicContact CD1-CD2 4.16Å; L171-L174 HydrophobicContact CD2-CB 4.15Å; L171-L174 HydrophobicContact CD2-CD1 4.49Å; L171-S194 WeakPolarHBondContact O-CB 3.34Å; L171-R197 CarbonylContact O-C 3.25Å; L171-L198 HydrophobicContact CB-CD1 4.38Å; L171-L198 HydrophobicContact CD2-CD1 3.85Å; L171-L198 HydrophobicContact CG-CD1 3.96Å; L171-L198 PolarHBondContact O-N 2.99Å
172	R	98.7	Very high	97.7	Very high	82 Å²	82	38.5 Å²	38.5	31%	0.309	18%	0.184	S	C	.	.			trans	-115.9	-31.2	177.4	-58.7	-173.3	-161.8	-158.6	9.6	112.3	E148 Q170 R199 S200	E148-R172 PolarHBondContact O-N 3.48Å; E148-R172 IonicContact OE1-CZ 3.1Å; E148-R172 IonicContact OE1-NE 3.56Å; E148-R172 PolarHBondContact OE1-NE 3.01Å; E148-R172 IonicContact OE1-NH2 3.8Å; E148-R172 PolarHBondContact OE1-NH2 2.83Å; Q170-R172 WeakPolarHBondContact O-CG 3.45Å; Q170-R172 PolarHBondContact O-N 3.11Å; R172-R199 PolarHBondContact O-N 2.86Å; R172-S200 PolarHBondContact O-N 2.64Å
173	H	98.8	Very high	97.6	Very high	78 Å²	78	43.2 Å²	43.2	36%	0.361	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	122.8	-178	-54.8	-82.2	0	0	0	109.4	E148 S149 L150 S200	E148-H173 PolarHBondContact O-N 2.94Å; E148-H173 VanDerWaalsContact O-N 3.07Å; S149-H173 WeakPolarHBondContact CA-O 3.27Å; L150-H173 PolarHBondContact N-O 3.12Å; H173-S200 WeakPolarHBondContact ND1-CB 3.22Å
174	L	98.7	Very high	97.6	Very high	3 Å²	3	39 Å²	39	2%	0.016	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	122.8	174.2	175.9	60.8	0	0	0	109.3	L150 L165 L171 L176 F189 F192 L198 S200 L201 D202	L150-L174 HydrophobicContact CB-CD1 4.23Å; L150-L174 HydrophobicContact CD2-CD1 4.16Å; L150-L174 HydrophobicContact CG-CD1 4.28Å; L150-L174 WeakPolarHBondContact O-CA 3.49Å; L165-L174 HydrophobicContact CD1-CD1 4.08Å; L165-L174 HydrophobicContact CD1-CD2 4.02Å; L171-L174 HydrophobicContact CD2-CB 4.15Å; L171-L174 HydrophobicContact CD2-CD1 4.49Å; L174-L176 HydrophobicContact CD1-CD1 4.29Å; L174-L176 HydrophobicContact CD1-CG 4.43Å; L174-L176 HydrophobicContact CD2-CD1 3.97Å; L174-L176 HydrophobicContact CG-CD1 4.06Å; L174-F189 HydrophobicContact CD2-CE1 4.2Å; L174-F192 HydrophobicContact CD2-CE2 3.97Å; L174-L198 HydrophobicContact CB-CD1 4.02Å; L174-S200 PolarHBondContact N-O 2.92Å; L174-L201 HydrophobicContact CB-CD1 4.31Å; L174-L201 HydrophobicContact CD2-CD1 4.14Å; L174-L201 HydrophobicContact CG-CD1 4.26Å; L174-L201 WeakPolarHBondContact O-CA 3.27Å; L174-D202 PolarHBondContact O-N 3.23Å
175	S	98.8	Very high	97.5	Very high	19 Å²	19	41.4 Å²	41.4	13%	0.133	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	125.4	176.3	-165.8	0	0	0	0	110.4	L150 L152 N153	L150-S175 PolarHBondContact O-N 3Å; L152-S175 WeakPolarHBondContact CB-O 3.24Å; L152-S175 PolarHBondContact N-O 2.93Å; N153-S175 PolarHBondContact ND2-OG 3.35Å; N153-S175 VanDerWaalsContact OD1-C 3.27Å; N153-S175 VanDerWaalsContact OD1-CB 3.27Å; N153-S175 WeakPolarHBondContact OD1-CB 3.29Å; N153-S175 PolarHBondContact OD1-O 2.79Å; N153-S175 PolarHBondContact OD1-OG 2.92Å
176	L	98.4	Very high	97	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.212	C	C	.	.			trans	-127.8	29.4	177.1	-80.8	150.8	0	0	0	109.6	L152 N153 F157 I160 L174 N179 I181 D202 L203 N206	L152-L176 HydrophobicContact CB-CD2 3.97Å; L152-L176 HydrophobicContact CB-CG 4.44Å; L152-L176 HydrophobicContact CD1-CD2 3.84Å; L152-L176 HydrophobicContact CD1-CG 4.45Å; N153-L176 PolarHBondContact OD1-N 2.85Å; F157-L176 HydrophobicContact CD2-CD2 4.15Å; I160-L176 HydrophobicContact CB-CD1 4.44Å; I160-L176 HydrophobicContact CD1-CD1 4.19Å; I160-L176 HydrophobicContact CG1-CD1 4.05Å; I160-L176 HydrophobicContact CG2-CD1 3.94Å; L174-L176 HydrophobicContact CD1-CD1 4.29Å; L174-L176 HydrophobicContact CD1-CG 4.43Å; L174-L176 HydrophobicContact CD2-CD1 3.97Å; L174-L176 HydrophobicContact CG-CD1 4.06Å; L176-N179 VanDerWaalsContact C-ND2 3.32Å; L176-N179 PolarHBondContact O-ND2 3.12Å; L176-I181 HydrophobicContact CB-CD1 4.09Å; L176-I181 HydrophobicContact CD2-CD1 4.44Å; L176-D202 PolarHBondContact N-O 3.24Å; L176-L203 HydrophobicContact CB-CD2 4.07Å; L176-L203 HydrophobicContact CD1-CD2 4.24Å; L176-N206 PolarHBondContact O-ND2 3.44Å
177	A	98.7	Very high	96.3	Very high	4 Å²	4	42.7 Å²	42.7	3%	0.033	22%	0.218	C	C	.	.			trans	-65.4	151.1	-176.1	0	0	0	0	0	112	N153 D154 N179 S204	N153-A177 CarbonylContact C-O 3.55Å; N153-A177 WeakPolarHBondContact CA-O 3.27Å; N153-A177 HydrophobicContact CB-CB 4.41Å; N153-A177 WeakPolarHBondContact OD1-CB 3.26Å; N153-A177 PolarHBondContact OD1-N 3.04Å; D154-A177 PolarHBondContact N-O 3.27Å; A177-N179 VanDerWaalsContact C-N 3.33Å; A177-N179 PolarHBondContact O-N 3.02Å; A177-N179 PolarHBondContact O-ND2 2.87Å; A177-S204 CarbonylContact C-O 3.4Å; A177-S204 WeakPolarHBondContact CA-O 3.09Å; A177-S204 VanDerWaalsContact CB-OG 3.31Å; A177-S204 WeakPolarHBondContact CB-OG 3.37Å
178	N	98.4	Very high	96.1	Very high	55 Å²	55	42.4 Å²	42.4	29%	0.294	21%	0.212	S	C	.	.	S	Bend	trans	53.3	46.8	178.8	-57.1	-34.8	0	0	0	113.3	D154 S204 G205	D154-N178 VanDerWaalsContact CA-O 3.3Å; D154-N178 WeakPolarHBondContact CA-O 3.33Å; D154-N178 WeakPolarHBondContact OD1-CB 3.2Å; D154-N178 PolarHBondContact OD1-ND2 2.9Å; N178-S204 PolarHBondContact N-O 3.34Å; N178-G205 VanDerWaalsContact CA-O 3.3Å; N178-G205 WeakPolarHBondContact CA-O 3.48Å
179	N	98.2	Very high	96.1	Very high	6 Å²	6	42.4 Å²	42.4	3%	0.032	21%	0.212	C	C	.	.	S	Bend	trans	-109.2	-162.5	170.9	-82.8	-80.6	0	0	0	109.6	L152 N155 D156 F157 L176 A177 I181 N206	L152-N179 PolarHBondContact O-ND2 3.05Å; N155-N179 VanDerWaalsContact CA-OD1 3.3Å; N155-N179 WeakPolarHBondContact CA-OD1 3.19Å; N155-N179 WeakPolarHBondContact CB-OD1 3.16Å; N155-N179 PolarHBondContact N-OD1 2.98Å; N155-N179 PolarHBondContact O-OD1 3.05Å; N155-N179 VanDerWaalsContact O-OD1 3.04Å; D156-N179 PolarHBondContact N-OD1 3.06Å; F157-N179 HydrophobicContact CB-CB 4.2Å; F157-N179 WeakPolarHBondContact CB-OD1 3.44Å; F157-N179 VanDerWaalsContact CD2-OD1 3.24Å; F157-N179 WeakPolarHBondContact CD2-OD1 3.4Å; F157-N179 PolarHBondContact N-OD1 3.49Å; L176-N179 VanDerWaalsContact C-ND2 3.32Å; L176-N179 PolarHBondContact O-ND2 3.12Å; A177-N179 VanDerWaalsContact C-N 3.33Å; A177-N179 PolarHBondContact O-N 3.02Å; A177-N179 PolarHBondContact O-ND2 2.87Å; N179-I181 HydrophobicContact CB-CD1 4.44Å; N179-I181 HydrophobicContact CB-CG1 4.28Å; N179-N206 VanDerWaalsContact CA-OD1 3.29Å; N179-N206 WeakPolarHBondContact CA-OD1 3.17Å; N179-N206 WeakPolarHBondContact CB-OD1 3.45Å; N179-N206 PolarHBondContact N-OD1 3.14Å; N179-N206 PolarHBondContact O-OD1 3.18Å
180	K	97.9	Very high	95.9	Very high	80 Å²	80	40.5 Å²	40.5	35%	0.348	21%	0.212	S	C	.	.			trans	-113.6	26.6	-178.3	-56.6	-177.6	-175.8	161.2	0	112.1	D156 F157 E158 L182 N206 F207	D156-K180 VanDerWaalsContact CG-NZ 3.31Å; D156-K180 WeakPolarHBondContact OD1-CE 3.18Å; D156-K180 IonicContact OD1-NZ 2.56Å; D156-K180 PolarHBondContact OD1-NZ 3.08Å; D156-K180 IonicContact OD2-NZ 3.97Å; F157-K180 CarbonylContact O-C 3.24Å; F157-K180 VanDerWaalsContact O-C 3.28Å; F157-K180 WeakPolarHBondContact O-CA 3.36Å; F157-K180 PolarHBondContact O-N 3.3Å; E158-K180 HydrophobicContact CG-CB 4.22Å; K180-L182 PolarHBondContact O-N 3.1Å; K180-N206 PolarHBondContact N-OD1 3.21Å; K180-F207 HydrophobicContact CB-CD2 4.27Å; K180-F207 HydrophobicContact CB-CE2 4.13Å; K180-F207 HydrophobicContact CG-CE2 4.13Å
181	I	98.1	Very high	95.8	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.223	C	C	.	.			trans	-68.8	125.6	-174.6	-58.2	168.1	0	0	0	109.8	F157 E158 I160 L176 N179 L203 N206 F207 I208	F157-I181 PolarHBondContact O-N 2.81Å; E158-I181 WeakPolarHBondContact O-CA 3.39Å; I160-I181 HydrophobicContact CG1-CD1 3.92Å; L176-I181 HydrophobicContact CB-CD1 4.09Å; L176-I181 HydrophobicContact CD2-CD1 4.44Å; N179-I181 HydrophobicContact CB-CD1 4.44Å; N179-I181 HydrophobicContact CB-CG1 4.28Å; I181-L203 HydrophobicContact CD1-CD2 4.19Å; I181-N206 HydrophobicContact CB-CB 4.13Å; I181-N206 VanDerWaalsContact CB-OD1 3.3Å; I181-N206 WeakPolarHBondContact CB-OD1 3.23Å; I181-N206 WeakPolarHBondContact CG1-OD1 3.32Å; I181-N206 PolarHBondContact N-OD1 3.16Å; I181-F207 CarbonylContact O-C 3.38Å; I181-F207 WeakPolarHBondContact O-CA 3.31Å; I181-F207 PolarHBondContact O-N 3.15Å; I181-I208 HydrophobicContact CB-CG1 4.42Å; I181-I208 HydrophobicContact CG2-CD1 4.19Å; I181-I208 HydrophobicContact CG2-CG1 4.07Å; I181-I208 WeakPolarHBondContact O-CG1 3.45Å; I181-I208 PolarHBondContact O-N 3.35Å
182	L	96.4	Very high	95.7	Very high	91 Å²	91	41 Å²	41	48%	0.476	22%	0.223	S	C	.	.			trans	-96.8	-32.2	-178.2	-70.7	164.2	0	0	0	113.4	K180 F207 I208	K180-L182 PolarHBondContact O-N 3.1Å; L182-F207 HydrophobicContact CD2-CB 3.74Å; L182-I208 WeakPolarHBondContact O-CA 3.4Å
183	F	93.9	Very high	95.7	Very high	130 Å²	130	38.9 Å²	38.9	57%	0.57	22%	0.224	S	C	*	.			trans	-154.7	159.6	-177.6	61.4	-89.9	0	0	0	111.5
184	V	96.2	Very high	95.6	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.018	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-124.4	120	171.9	-168.1	0	0	0	0	108.3	I160 T188 F189 L203 I208 L211 H212 A215	I160-V184 HydrophobicContact CD1-CG1 4.3Å; I160-V184 HydrophobicContact CD1-CG2 4.44Å; V184-T188 HydrophobicContact CG1-CG2 4.02Å; V184-T188 WeakPolarHBondContact CG1-OG1 3.29Å; V184-F189 HydrophobicContact CG1-CE2 3.99Å; V184-L203 HydrophobicContact CG2-CD1 4.11Å; V184-I208 HydrophobicContact CG2-CD1 4.09Å; V184-L211 HydrophobicContact CB-CD2 3.68Å; V184-L211 HydrophobicContact CG2-CD2 3.52Å; V184-H212 WeakPolarHBondContact O-CB 3.33Å; V184-H212 PolarHBondContact O-N 3.01Å; V184-H212 VanDerWaalsContact O-N 3.09Å; V184-A215 HydrophobicContact CB-CB 4.11Å; V184-A215 HydrophobicContact CG1-CB 3.78Å
185	S	93.2	Very high	95.6	Very high	56 Å²	56	40.6 Å²	40.6	39%	0.392	23%	0.227	S	C	.	.			trans	-88.9	171.4	-169.8	65.9	0	0	0	0	113	N187 T188 A215	S185-N187 PolarHBondContact O-N 3.44Å; S185-T188 PolarHBondContact N-OG1 3.27Å; S185-T188 PolarHBondContact O-N 3.13Å; S185-T188 PolarHBondContact O-OG1 2.86Å; S185-T188 PolarHBondContact OG-OG1 2.84Å; S185-T188 VanDerWaalsContact OG-OG1 3.08Å; S185-A215 VanDerWaalsContact O-CA 3.26Å; S185-A215 WeakPolarHBondContact O-CA 3.19Å
186	S	87.5	Confident	95.5	Very high	40 Å²	40	43 Å²	43	28%	0.28	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-18.8	-167.6	64.2	0	0	0	0	116.8	H212 M214	S186-H212 VanDerWaalsContact CA-ND1 3.26Å; S186-H212 WeakPolarHBondContact CA-ND1 3.35Å; S186-H212 WeakPolarHBondContact CB-CE1 3.34Å; S186-H212 WeakPolarHBondContact CB-ND1 3.48Å; S186-M214 CarbonylContact O-C 3.54Å; S186-M214 VanDerWaalsContact O-CB 3.23Å; S186-M214 WeakPolarHBondContact O-CB 3.12Å; S186-M214 VanDerWaalsContact O-O 3.13Å
187	N	81.5	Confident	95.5	Very high	108 Å²	108	46.9 Å²	46.9	58%	0.578	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.8	17	-172.3	-65.3	-39	0	0	0	112.5	S185 F189 A190	S185-N187 PolarHBondContact O-N 3.44Å; N187-F189 VanDerWaalsContact C-N 3.25Å; N187-F189 PolarHBondContact O-N 2.79Å; N187-A190 HydrophobicContact CB-CB 4.11Å; N187-A190 PolarHBondContact O-N 2.98Å; N187-A190 VanDerWaalsContact O-N 3.09Å
188	T	93.3	Very high	95.5	Very high	12 Å²	12	46.7 Å²	46.7	7%	0.074	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-43.3	-172.5	-55.6	0	0	0	0	112.5	I160 V162 V184 S185 F192	I160-T188 HydrophobicContact CB-CG2 3.87Å; I160-T188 HydrophobicContact CD1-CG2 3.84Å; I160-T188 HydrophobicContact CG1-CG2 4.22Å; I160-T188 HydrophobicContact CG2-CG2 4.12Å; V162-T188 HydrophobicContact CG2-CG2 3.79Å; V162-T188 WeakPolarHBondContact CG2-O 3.44Å; V184-T188 HydrophobicContact CG1-CG2 4.02Å; V184-T188 WeakPolarHBondContact CG1-OG1 3.29Å; S185-T188 PolarHBondContact N-OG1 3.27Å; S185-T188 PolarHBondContact O-N 3.13Å; S185-T188 PolarHBondContact O-OG1 2.86Å; S185-T188 PolarHBondContact OG-OG1 2.84Å; S185-T188 VanDerWaalsContact OG-OG1 3.08Å; T188-F192 WeakPolarHBondContact O-CE1 3.3Å
189	F	96.5	Very high	95.5	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-1.3	179.9	-56.5	-71.1	0	0	0	114.2	I160 L174 V184 N187 A191 F192 L201 A215 T216 L219	I160-F189 HydrophobicContact CD1-CE1 3.91Å; I160-F189 HydrophobicContact CD1-CE2 4.16Å; I160-F189 HydrophobicContact CD1-CZ 3.35Å; I160-F189 HydrophobicContact CG2-CE1 4.29Å; L174-F189 HydrophobicContact CD2-CE1 4.2Å; V184-F189 HydrophobicContact CG1-CE2 3.99Å; N187-F189 VanDerWaalsContact C-N 3.25Å; N187-F189 PolarHBondContact O-N 2.79Å; F189-A191 VanDerWaalsContact C-N 3.26Å; F189-A191 PolarHBondContact O-N 2.9Å; F189-F192 HydrophobicContact CD1-CD1 4.48Å; F189-F192 HydrophobicContact CD1-CD2 4.02Å; F189-F192 HydrophobicContact CD1-CE1 4.08Å; F189-F192 AromaticContact CD1-CE2 3.59Å; F189-F192 HydrophobicContact CD1-CE2 3.59Å; F189-F192 HydrophobicContact CD1-CG 4.46Å; F189-F192 AromaticContact CD1-CZ 3.62Å; F189-F192 HydrophobicContact CD1-CZ 3.62Å; F189-F192 HydrophobicContact CE1-CE2 4.05Å; F189-F192 HydrophobicContact CE1-CZ 4.01Å; F189-F192 WeakPolarHBondContact O-CB 3.48Å; F189-F192 PolarHBondContact O-N 2.78Å; F189-F192 VanDerWaalsContact O-N 3.15Å; F189-L201 HydrophobicContact CE1-CD1 4.16Å; F189-L201 HydrophobicContact CE1-CD2 4.4Å; F189-L201 HydrophobicContact CE2-CD2 3.68Å; F189-L201 HydrophobicContact CZ-CD1 3.87Å; F189-L201 HydrophobicContact CZ-CD2 3.58Å; F189-L201 HydrophobicContact CZ-CG 4.39Å; F189-A215 VanDerWaalsContact CD2-O 3.32Å; F189-A215 WeakPolarHBondContact CD2-O 3.46Å; F189-T216 HydrophobicContact CD2-CG2 4.26Å; F189-T216 HydrophobicContact CE2-CG2 4.08Å; F189-L219 HydrophobicContact CB-CD1 4.25Å; F189-L219 HydrophobicContact CB-CD2 3.69Å; F189-L219 HydrophobicContact CB-CG 3.92Å; F189-L219 HydrophobicContact CD1-CD1 4.48Å; F189-L219 HydrophobicContact CD2-CD1 3.9Å; F189-L219 HydrophobicContact CD2-CG 4.41Å; F189-L219 HydrophobicContact CE2-CD1 4.38Å; F189-L219 HydrophobicContact CG-CD1 3.96Å; F189-L219 HydrophobicContact CG-CD2 4.17Å; F189-L219 HydrophobicContact CG-CG 4.2Å
190	A	94.9	Very high	95.5	Very high	41 Å²	41	49.5 Å²	49.5	34%	0.339	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-31.8	-177	0	0	0	0	0	112.5	N187 F192 A218	N187-A190 HydrophobicContact CB-CB 4.11Å; N187-A190 PolarHBondContact O-N 2.98Å; N187-A190 VanDerWaalsContact O-N 3.09Å; A190-F192 VanDerWaalsContact C-N 3.28Å; A190-F192 PolarHBondContact O-N 2.67Å; A190-A218 HydrophobicContact CB-CB 4.25Å
191	A	94.8	Very high	95.5	Very high	52 Å²	52	45.8 Å²	45.8	43%	0.43	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-10.5	178	0	0	0	0	0	113.8	V162 R166 F189 A193	V162-A191 HydrophobicContact CG1-CB 4.24Å; R166-A191 HydrophobicContact CB-CB 4.34Å; F189-A191 VanDerWaalsContact C-N 3.26Å; F189-A191 PolarHBondContact O-N 2.9Å; A191-A193 PolarHBondContact O-N 2.76Å
192	F	97.5	Very high	95.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.253	C	S	.	.			trans	-70	130.5	-174.2	-76.2	31.3	0	0	0	110.2	I160 V162 L165 L174 T188 F189 A190 S194 R195	I160-F192 HydrophobicContact CG2-CZ 4.39Å; V162-F192 HydrophobicContact CB-CE1 4.42Å; V162-F192 HydrophobicContact CG1-CE1 4.11Å; V162-F192 HydrophobicContact CG2-CE1 4.37Å; L165-F192 HydrophobicContact CB-CE1 4.2Å; L165-F192 HydrophobicContact CB-CE2 4.02Å; L165-F192 HydrophobicContact CB-CZ 3.68Å; L165-F192 HydrophobicContact CD1-CE2 4.41Å; L165-F192 HydrophobicContact CD1-CZ 4.06Å; L174-F192 HydrophobicContact CD2-CE2 3.97Å; T188-F192 WeakPolarHBondContact O-CE1 3.3Å; F189-F192 HydrophobicContact CD1-CD1 4.48Å; F189-F192 HydrophobicContact CD1-CD2 4.02Å; F189-F192 HydrophobicContact CD1-CE1 4.08Å; F189-F192 AromaticContact CD1-CE2 3.59Å; F189-F192 HydrophobicContact CD1-CE2 3.59Å; F189-F192 HydrophobicContact CD1-CG 4.46Å; F189-F192 AromaticContact CD1-CZ 3.62Å; F189-F192 HydrophobicContact CD1-CZ 3.62Å; F189-F192 HydrophobicContact CE1-CE2 4.05Å; F189-F192 HydrophobicContact CE1-CZ 4.01Å; F189-F192 WeakPolarHBondContact O-CB 3.48Å; F189-F192 PolarHBondContact O-N 2.78Å; F189-F192 VanDerWaalsContact O-N 3.15Å; A190-F192 VanDerWaalsContact C-N 3.28Å; A190-F192 PolarHBondContact O-N 2.67Å; F192-S194 PolarHBondContact O-N 2.9Å; F192-R195 HydrophobicContact CB-CB 4.35Å; F192-R195 WeakPolarHBondContact O-CB 3.19Å; F192-R195 WeakPolarHBondContact O-CG 3.26Å; F192-R195 PolarHBondContact O-N 3.24Å; F192-R195 PolarHBondContact O-NH1 2.92Å; F192-R195 VanDerWaalsContact O-NH1 3.08Å
193	A	97.9	Very high	95.7	Very high	39 Å²	39	43 Å²	43	32%	0.322	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-26.9	170.3	0	0	0	0	0	111.8	R166 K169 A191	R166-A193 WeakPolarHBondContact O-CB 3.39Å; R166-A193 PolarHBondContact O-N 2.96Å; K169-A193 HydrophobicContact CG-CB 4.1Å; A191-A193 PolarHBondContact O-N 2.76Å
194	S	97.9	Very high	95.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	10	177.4	41.6	0	0	0	0	114.6	L168 L171 F192 D196 R197 L198	L168-S194 WeakPolarHBondContact O-CB 3.34Å; L168-S194 PolarHBondContact O-N 3.29Å; L168-S194 PolarHBondContact O-OG 2.89Å; L171-S194 WeakPolarHBondContact O-CB 3.34Å; F192-S194 PolarHBondContact O-N 2.9Å; S194-D196 PolarHBondContact O-N 2.89Å; S194-R197 WeakPolarHBondContact O-CA 3.21Å; S194-R197 PolarHBondContact O-N 3.17Å; S194-L198 PolarHBondContact O-N 2.94Å
195	R	97.4	Very high	96	Very high	117 Å²	117	37.8 Å²	37.8	44%	0.442	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-26.5	-177.9	68.1	-177.8	176.2	-89.2	0.4	113.9	F192 A218 L219 V220	F192-R195 HydrophobicContact CB-CB 4.35Å; F192-R195 WeakPolarHBondContact O-CB 3.19Å; F192-R195 WeakPolarHBondContact O-CG 3.26Å; F192-R195 PolarHBondContact O-N 3.24Å; F192-R195 PolarHBondContact O-NH1 2.92Å; F192-R195 VanDerWaalsContact O-NH1 3.08Å; R195-A218 HydrophobicContact CB-CB 4.42Å; R195-L219 HydrophobicContact CB-CD2 4.43Å; R195-L219 WeakPolarHBondContact O-CA 3.28Å; R195-V220 PolarHBondContact O-N 3.25Å
196	D	97.1	Very high	96.3	Very high	69 Å²	69	35.3 Å²	35.3	37%	0.369	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	5.6	176.5	69.8	-31	0	0	0	113.6	S194 V220 R221	S194-D196 PolarHBondContact O-N 2.89Å; D196-V220 HydrophobicContact CB-CG2 4.16Å; D196-R221 WeakPolarHBondContact O-CD 3.49Å; D196-R221 WeakPolarHBondContact O-CG 3.45Å; D196-R221 VanDerWaalsContact O-CZ 3.26Å; D196-R221 PolarHBondContact O-NE 3.01Å; D196-R221 PolarHBondContact O-NH1 2.83Å
197	R	97.9	Very high	96.8	Very high	82 Å²	82	38.2 Å²	38.2	31%	0.309	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128	-26.4	-176.1	-73	166	173.6	-103.6	13.4	113.6	K169 L171 S194 R199	K169-R197 WeakPolarHBondContact O-CD 3.46Å; K169-R197 PolarHBondContact O-NE 2.81Å; L171-R197 CarbonylContact O-C 3.25Å; S194-R197 WeakPolarHBondContact O-CA 3.21Å; S194-R197 PolarHBondContact O-N 3.17Å; R197-R199 WeakPolarHBondContact O-CG 3.07Å; R197-R199 PolarHBondContact O-N 3.07Å
198	L	98.4	Very high	97.6	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.175	C	C	.	.			trans	-59.6	123.4	178.1	-150.4	102.4	0	0	0	110.2	L171 L174 S194 L201 L219 R221 L222	L171-L198 HydrophobicContact CB-CD1 4.38Å; L171-L198 HydrophobicContact CD2-CD1 3.85Å; L171-L198 HydrophobicContact CG-CD1 3.96Å; L171-L198 PolarHBondContact O-N 2.99Å; L174-L198 HydrophobicContact CB-CD1 4.02Å; S194-L198 PolarHBondContact O-N 2.94Å; L198-L201 HydrophobicContact CD2-CB 4.05Å; L198-L219 HydrophobicContact CB-CD2 4.02Å; L198-L219 HydrophobicContact CD2-CD1 3.77Å; L198-L219 HydrophobicContact CD2-CD2 4.03Å; L198-L219 HydrophobicContact CD2-CG 4.48Å; L198-R221 CarbonylContact O-C 3.58Å; L198-R221 VanDerWaalsContact O-C 3.27Å; L198-L222 HydrophobicContact CD2-CD1 4.3Å; L198-L222 PolarHBondContact O-N 3Å
199	R	98.7	Very high	97.7	Very high	93 Å²	93	38.5 Å²	38.5	35%	0.351	20%	0.199	S	C	.	.			trans	-111.8	-31.1	179.3	-63.5	-169.6	-178.4	-145.8	9.1	112.7	R172 R197 R221 E223 D224	R172-R199 PolarHBondContact O-N 2.86Å; R197-R199 WeakPolarHBondContact O-CG 3.07Å; R197-R199 PolarHBondContact O-N 3.07Å; R199-R221 WeakPolarHBondContact CA-O 3.46Å; R199-E223 IonicContact CZ-OE1 3.06Å; R199-E223 IonicContact NE-OE1 3.74Å; R199-E223 IonicContact NH1-OE1 2.7Å; R199-E223 PolarHBondContact NH1-OE1 2.94Å; R199-E223 PolarHBondContact O-N 2.89Å; R199-D224 PolarHBondContact O-N 2.79Å
200	S	98.8	Very high	97.6	Very high	27 Å²	27	45.2 Å²	45.2	19%	0.189	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	128.2	-176.9	-175.9	0	0	0	0	110.5	R172 H173 L174 D224	R172-S200 PolarHBondContact O-N 2.64Å; H173-S200 WeakPolarHBondContact ND1-CB 3.22Å; L174-S200 PolarHBondContact N-O 2.92Å; S200-D224 WeakPolarHBondContact CA-O 3.04Å
201	L	98.6	Very high	97.7	Very high	1 Å²	1	44 Å²	44	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	116.1	175.4	178.7	62.3	0	0	0	109.3	L174 F189 L198 L203 T216 L219 L222 D224 L225 N226	L174-L201 HydrophobicContact CB-CD1 4.31Å; L174-L201 HydrophobicContact CD2-CD1 4.14Å; L174-L201 HydrophobicContact CG-CD1 4.26Å; L174-L201 WeakPolarHBondContact O-CA 3.27Å; F189-L201 HydrophobicContact CE1-CD1 4.16Å; F189-L201 HydrophobicContact CE1-CD2 4.4Å; F189-L201 HydrophobicContact CE2-CD2 3.68Å; F189-L201 HydrophobicContact CZ-CD1 3.87Å; F189-L201 HydrophobicContact CZ-CD2 3.58Å; F189-L201 HydrophobicContact CZ-CG 4.39Å; L198-L201 HydrophobicContact CD2-CB 4.05Å; L201-L203 HydrophobicContact CD1-CD2 4.36Å; L201-L203 HydrophobicContact CD1-CG 4.21Å; L201-L203 HydrophobicContact CD2-CD1 4Å; L201-L203 HydrophobicContact CD2-CG 4.37Å; L201-L203 HydrophobicContact CG-CD1 4.24Å; L201-L203 HydrophobicContact CG-CG 4.06Å; L201-T216 HydrophobicContact CD2-CG2 4.08Å; L201-L219 HydrophobicContact CD2-CD1 3.98Å; L201-L222 HydrophobicContact CB-CD1 3.77Å; L201-D224 PolarHBondContact N-O 2.93Å; L201-L225 HydrophobicContact CB-CD1 4.32Å; L201-L225 HydrophobicContact CD2-CD1 4.19Å; L201-L225 HydrophobicContact CG-CD1 4.35Å; L201-N226 PolarHBondContact O-N 2.71Å
202	D	98.9	Very high	97.8	Very high	33 Å²	33	45.6 Å²	45.6	18%	0.176	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	113.8	175.1	-169.3	-13.7	0	0	0	110.6	L174 L176 S204 N226	L174-D202 PolarHBondContact O-N 3.23Å; L176-D202 PolarHBondContact N-O 3.24Å; D202-S204 WeakPolarHBondContact OD1-CB 3.49Å; D202-S204 PolarHBondContact OD1-N 3.1Å; D202-S204 PolarHBondContact OD1-OG 2.81Å; D202-N226 HydrophobicContact CB-CB 4.22Å; D202-N226 PolarHBondContact OD1-ND2 3.22Å; D202-N226 PolarHBondContact OD2-ND2 2.88Å
203	L	98.7	Very high	97.7	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.233	C	C	.	.			trans	-117.9	20.2	175	-64.9	172.2	0	0	0	111	I160 L176 I181 V184 L201 N206 I208 N226 L227 N230	I160-L203 HydrophobicContact CD1-CD2 3.88Å; L176-L203 HydrophobicContact CB-CD2 4.07Å; L176-L203 HydrophobicContact CD1-CD2 4.24Å; I181-L203 HydrophobicContact CD1-CD2 4.19Å; V184-L203 HydrophobicContact CG2-CD1 4.11Å; L201-L203 HydrophobicContact CD1-CD2 4.36Å; L201-L203 HydrophobicContact CD1-CG 4.21Å; L201-L203 HydrophobicContact CD2-CD1 4Å; L201-L203 HydrophobicContact CD2-CG 4.37Å; L201-L203 HydrophobicContact CG-CD1 4.24Å; L201-L203 HydrophobicContact CG-CG 4.06Å; L203-N206 PolarHBondContact O-ND2 3.13Å; L203-I208 HydrophobicContact CB-CD1 3.96Å; L203-I208 HydrophobicContact CD1-CD1 4.21Å; L203-N226 CarbonylContact C-O 3.42Å; L203-N226 PolarHBondContact N-O 3.33Å; L203-L227 HydrophobicContact CB-CD2 4.13Å; L203-L227 HydrophobicContact CD1-CD2 4.25Å; L203-N230 PolarHBondContact O-ND2 3.14Å
204	S	98.7	Very high	97.6	Very high	13 Å²	13	49.8 Å²	49.8	9%	0.091	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	157.6	-177.3	62.2	0	0	0	0	113.1	A177 N178 D202 N206 N226 Q228	A177-S204 CarbonylContact C-O 3.4Å; A177-S204 WeakPolarHBondContact CA-O 3.09Å; A177-S204 VanDerWaalsContact CB-OG 3.31Å; A177-S204 WeakPolarHBondContact CB-OG 3.37Å; N178-S204 PolarHBondContact N-O 3.34Å; D202-S204 WeakPolarHBondContact OD1-CB 3.49Å; D202-S204 PolarHBondContact OD1-N 3.1Å; D202-S204 PolarHBondContact OD1-OG 2.81Å; S204-N206 PolarHBondContact O-N 2.03Å; S204-N206 PolarHBondContact O-ND2 3.07Å; S204-N206 VanDerWaalsContact O-ND2 3.11Å; S204-N226 WeakPolarHBondContact CB-OD1 3.42Å; S204-N226 PolarHBondContact N-O 3.08Å; S204-Q228 CarbonylContact C-O 3.54Å; S204-Q228 WeakPolarHBondContact CA-O 3.36Å; S204-Q228 VanDerWaalsContact CB-O 3.26Å; S204-Q228 WeakPolarHBondContact CB-O 3.11Å
205	G	98.5	Very high	97.4	Very high	11 Å²	11	49.9 Å²	49.9	11%	0.113	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	23.1	175.5	0	0	0	0	0	114.7	N178 Q228 R229	N178-G205 VanDerWaalsContact CA-O 3.3Å; N178-G205 WeakPolarHBondContact CA-O 3.48Å; G205-Q228 PolarHBondContact N-O 2.88Å; G205-R229 CarbonylContact C-O 3.44Å; G205-R229 WeakPolarHBondContact CA-O 3.21Å; G205-R229 PolarHBondContact N-O 2.92Å; G205-R229 VanDerWaalsContact N-O 3.1Å
206	N	98.7	Very high	97.4	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.021	22%	0.215	C	C	.	.	S	Bend	trans	-102.2	-169.9	175.2	-78.8	-81.4	0	0	0	110.4	L176 N179 K180 I181 L203 S204 I208 R229 N230	L176-N206 PolarHBondContact O-ND2 3.44Å; N179-N206 VanDerWaalsContact CA-OD1 3.29Å; N179-N206 WeakPolarHBondContact CA-OD1 3.17Å; N179-N206 WeakPolarHBondContact CB-OD1 3.45Å; N179-N206 PolarHBondContact N-OD1 3.14Å; N179-N206 PolarHBondContact O-OD1 3.18Å; K180-N206 PolarHBondContact N-OD1 3.21Å; I181-N206 HydrophobicContact CB-CB 4.13Å; I181-N206 VanDerWaalsContact CB-OD1 3.3Å; I181-N206 WeakPolarHBondContact CB-OD1 3.23Å; I181-N206 WeakPolarHBondContact CG1-OD1 3.32Å; I181-N206 PolarHBondContact N-OD1 3.16Å; L203-N206 PolarHBondContact O-ND2 3.13Å; S204-N206 PolarHBondContact O-N 2.03Å; S204-N206 PolarHBondContact O-ND2 3.07Å; S204-N206 VanDerWaalsContact O-ND2 3.11Å; N206-I208 HydrophobicContact CB-CD1 4.17Å; N206-I208 HydrophobicContact CB-CG1 4Å; N206-R229 PolarHBondContact N-O 3.48Å; N206-N230 WeakPolarHBondContact CA-OD1 3.45Å; N206-N230 VanDerWaalsContact CB-OD1 3.23Å; N206-N230 WeakPolarHBondContact CB-OD1 3.31Å; N206-N230 PolarHBondContact O-OD1 3.14Å
207	F	98.2	Very high	97.3	Very high	100 Å²	100	42.5 Å²	42.5	44%	0.439	21%	0.21	S	C	.	.			trans	-108.2	23.2	179.9	-59.9	-63.6	0	0	0	112.7	K180 I181 L182 Q209 N231	K180-F207 HydrophobicContact CB-CD2 4.27Å; K180-F207 HydrophobicContact CB-CE2 4.13Å; K180-F207 HydrophobicContact CG-CE2 4.13Å; I181-F207 CarbonylContact O-C 3.38Å; I181-F207 WeakPolarHBondContact O-CA 3.31Å; I181-F207 PolarHBondContact O-N 3.15Å; L182-F207 HydrophobicContact CD2-CB 3.74Å; F207-Q209 PolarHBondContact O-N 3.02Å; F207-N231 PolarHBondContact O-ND2 3.09Å
208	I	98.3	Very high	97.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.205	C	C	.	.			trans	-68.9	123	-171.1	-54.9	169.4	0	0	0	109.8	I181 L182 V184 L203 N206 Q210 L211 N230 N231 F232	I181-I208 HydrophobicContact CB-CG1 4.42Å; I181-I208 HydrophobicContact CG2-CD1 4.19Å; I181-I208 HydrophobicContact CG2-CG1 4.07Å; I181-I208 WeakPolarHBondContact O-CG1 3.45Å; I181-I208 PolarHBondContact O-N 3.35Å; L182-I208 WeakPolarHBondContact O-CA 3.4Å; V184-I208 HydrophobicContact CG2-CD1 4.09Å; L203-I208 HydrophobicContact CB-CD1 3.96Å; L203-I208 HydrophobicContact CD1-CD1 4.21Å; N206-I208 HydrophobicContact CB-CD1 4.17Å; N206-I208 HydrophobicContact CB-CG1 4Å; I208-Q210 WeakPolarHBondContact CG2-O 3.47Å; I208-L211 HydrophobicContact CG2-CD2 3.93Å; I208-N230 HydrophobicContact CB-CB 4.42Å; I208-N230 VanDerWaalsContact CB-OD1 3.28Å; I208-N230 WeakPolarHBondContact CB-OD1 3.38Å; I208-N230 WeakPolarHBondContact CG1-OD1 3.41Å; I208-N230 PolarHBondContact N-OD1 3.43Å; I208-N231 CarbonylContact O-C 3.27Å; I208-N231 WeakPolarHBondContact O-CA 3.29Å; I208-N231 PolarHBondContact O-N 3.13Å; I208-F232 HydrophobicContact CB-CE2 4.11Å; I208-F232 HydrophobicContact CB-CZ 4.07Å; I208-F232 HydrophobicContact CG2-CE1 4.05Å; I208-F232 HydrophobicContact CG2-CE2 3.99Å; I208-F232 HydrophobicContact CG2-CZ 3.43Å; I208-F232 VanDerWaalsContact CG2-CZ 3.43Å; I208-F232 PolarHBondContact O-N 3.3Å
209	Q	96.2	Very high	97.2	Very high	126 Å²	126	39.8 Å²	39.8	59%	0.589	21%	0.205	S	C	*	.			trans	-96.5	-31	175.1	-66.5	177	22.8	0	0	112.3	F207 N231 F232	F207-Q209 PolarHBondContact O-N 3.02Å; Q209-N231 HydrophobicContact CG-CB 3.64Å; Q209-F232 VanDerWaalsContact O-CD1 3.26Å; Q209-F232 WeakPolarHBondContact O-CD1 3.25Å
210	Q	94.2	Very high	97.1	Very high	142 Å²	142	39.7 Å²	39.7	66%	0.664	21%	0.214	S	C	*	.			trans	-150.5	147.9	-177.8	61.3	-178.8	0	0	0	111.1	I208	I208-Q210 WeakPolarHBondContact CG2-O 3.47Å
211	L	95.8	Very high	97	Very high	15 Å²	15	44.2 Å²	44.2	8%	0.079	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-102.8	132.8	165.5	-61.7	178.2	0	0	0	108.2	V184 I208 A215 L227 F232 P236 A239	V184-L211 HydrophobicContact CB-CD2 3.68Å; V184-L211 HydrophobicContact CG2-CD2 3.52Å; I208-L211 HydrophobicContact CG2-CD2 3.93Å; L211-A215 HydrophobicContact CB-CB 4.45Å; L211-L227 HydrophobicContact CD1-CD1 3.89Å; L211-L227 HydrophobicContact CD1-CD2 4.18Å; L211-F232 HydrophobicContact CD1-CZ 4.31Å; L211-F232 HydrophobicContact CD2-CZ 4.21Å; L211-F232 HydrophobicContact CG-CE1 4.03Å; L211-F232 HydrophobicContact CG-CZ 3.8Å; L211-P236 HydrophobicContact CB-CB 4.25Å; L211-P236 HydrophobicContact CD1-CB 4.27Å; L211-P236 HydrophobicContact CD1-CG 4.12Å; L211-P236 HydrophobicContact CG-CB 4.36Å; L211-A239 HydrophobicContact CB-CB 3.94Å; L211-A239 HydrophobicContact CD1-CB 4.31Å
212	H	96.8	Very high	97	Very high	85 Å²	85	44.1 Å²	44.1	39%	0.394	23%	0.227	S	C	.	.			trans	-58.4	142.2	168	-174.4	-83	0	0	0	109.5	V184 S186 M214 A215	V184-H212 WeakPolarHBondContact O-CB 3.33Å; V184-H212 PolarHBondContact O-N 3.01Å; V184-H212 VanDerWaalsContact O-N 3.09Å; S186-H212 VanDerWaalsContact CA-ND1 3.26Å; S186-H212 WeakPolarHBondContact CA-ND1 3.35Å; S186-H212 WeakPolarHBondContact CB-CE1 3.34Å; S186-H212 WeakPolarHBondContact CB-ND1 3.48Å; H212-M214 PolarHBondContact ND1-N 2.99Å; H212-M214 VanDerWaalsContact ND1-N 3.11Å; H212-M214 PolarHBondContact O-N 3.16Å; H212-A215 HydrophobicContact CB-CB 4.22Å; H212-A215 WeakPolarHBondContact O-CB 3.41Å; H212-A215 PolarHBondContact O-N 2.96Å
213	P	95.5	Very high	97	Very high	52 Å²	52	44.3 Å²	44.3	34%	0.338	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-34.4	-177.5	-31.1	36	0	0	0	115.1	P238 A239	P213-P238 HydrophobicContact CB-CB 3.8Å; P213-P238 HydrophobicContact CG-CB 3.97Å; P213-A239 WeakPolarHBondContact O-CA 3.44Å
214	M	95.7	Very high	97	Very high	76 Å²	76	46.3 Å²	46.3	37%	0.374	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-0.8	177.4	-60.9	-57.8	102.2	0	0	114.7	S186 H212 T216 A217	S186-M214 CarbonylContact O-C 3.54Å; S186-M214 VanDerWaalsContact O-CB 3.23Å; S186-M214 WeakPolarHBondContact O-CB 3.12Å; S186-M214 VanDerWaalsContact O-O 3.13Å; H212-M214 PolarHBondContact ND1-N 2.99Å; H212-M214 VanDerWaalsContact ND1-N 3.11Å; H212-M214 PolarHBondContact O-N 3.16Å; M214-T216 PolarHBondContact O-N 3.27Å; M214-A217 HydrophobicContact CB-CB 4.39Å; M214-A217 WeakPolarHBondContact O-CB 3.4Å; M214-A217 PolarHBondContact O-N 3.41Å; M214-A217 VanDerWaalsContact O-N 3.08Å; M214-A217 HydrophobicContact SD-CB 4.11Å
215	A	95.3	Very high	97	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.008	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52	-50.9	-169.5	0	0	0	0	0	113.4	V184 S185 F189 L211 H212	V184-A215 HydrophobicContact CB-CB 4.11Å; V184-A215 HydrophobicContact CG1-CB 3.78Å; S185-A215 VanDerWaalsContact O-CA 3.26Å; S185-A215 WeakPolarHBondContact O-CA 3.19Å; F189-A215 VanDerWaalsContact CD2-O 3.32Å; F189-A215 WeakPolarHBondContact CD2-O 3.46Å; L211-A215 HydrophobicContact CB-CB 4.45Å; H212-A215 HydrophobicContact CB-CB 4.22Å; H212-A215 WeakPolarHBondContact O-CB 3.41Å; H212-A215 PolarHBondContact O-N 2.96Å
216	T	95.8	Very high	97	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	5.8	179.5	58.2	0	0	0	0	113	F189 L201 M214 A218 L219 H243	F189-T216 HydrophobicContact CD2-CG2 4.26Å; F189-T216 HydrophobicContact CE2-CG2 4.08Å; L201-T216 HydrophobicContact CD2-CG2 4.08Å; M214-T216 PolarHBondContact O-N 3.27Å; T216-A218 PolarHBondContact O-N 3.22Å; T216-A218 VanDerWaalsContact O-N 3.14Å; T216-L219 HydrophobicContact CG2-CD1 4.41Å; T216-L219 WeakPolarHBondContact O-CB 3.42Å; T216-L219 PolarHBondContact O-N 3.11Å; T216-H243 PolarHBondContact O-CE1 2.87Å; T216-H243 PolarHBondContact O-NE2 3.36Å; T216-H243 PolarHBondContact OG1-NE2 3.39Å
217	A	95.9	Very high	97	Very high	32 Å²	32	46.5 Å²	46.5	26%	0.264	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-26.4	-170.6	0	0	0	0	0	113.9	M214 L219 K242	M214-A217 HydrophobicContact CB-CB 4.39Å; M214-A217 WeakPolarHBondContact O-CB 3.4Å; M214-A217 PolarHBondContact O-N 3.41Å; M214-A217 VanDerWaalsContact O-N 3.08Å; M214-A217 HydrophobicContact SD-CB 4.11Å; A217-L219 VanDerWaalsContact C-N 3.28Å; A217-L219 PolarHBondContact O-N 3.25Å; A217-K242 HydrophobicContact CB-CB 4.4Å; A217-K242 HydrophobicContact CB-CD 4.44Å; A217-K242 HydrophobicContact CB-CG 3.99Å
218	A	96	Very high	97	Very high	25 Å²	25	43.3 Å²	43.3	21%	0.207	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-16.7	177.4	0	0	0	0	0	113.7	A190 R195 T216 V220	A190-A218 HydrophobicContact CB-CB 4.25Å; R195-A218 HydrophobicContact CB-CB 4.42Å; T216-A218 PolarHBondContact O-N 3.22Å; T216-A218 VanDerWaalsContact O-N 3.14Å; A218-V220 VanDerWaalsContact C-N 3.3Å; A218-V220 PolarHBondContact O-N 3.27Å
219	L	97.5	Very high	97	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.246	C	C	.	.			trans	-82.6	70.1	-175.6	-58.3	-179.6	0	0	0	111.2	F189 R195 L198 L201 T216 A217 R221 L222 H243	F189-L219 HydrophobicContact CB-CD1 4.25Å; F189-L219 HydrophobicContact CB-CD2 3.69Å; F189-L219 HydrophobicContact CB-CG 3.92Å; F189-L219 HydrophobicContact CD1-CD1 4.48Å; F189-L219 HydrophobicContact CD2-CD1 3.9Å; F189-L219 HydrophobicContact CD2-CG 4.41Å; F189-L219 HydrophobicContact CE2-CD1 4.38Å; F189-L219 HydrophobicContact CG-CD1 3.96Å; F189-L219 HydrophobicContact CG-CD2 4.17Å; F189-L219 HydrophobicContact CG-CG 4.2Å; R195-L219 HydrophobicContact CB-CD2 4.43Å; R195-L219 WeakPolarHBondContact O-CA 3.28Å; L198-L219 HydrophobicContact CB-CD2 4.02Å; L198-L219 HydrophobicContact CD2-CD1 3.77Å; L198-L219 HydrophobicContact CD2-CD2 4.03Å; L198-L219 HydrophobicContact CD2-CG 4.48Å; L201-L219 HydrophobicContact CD2-CD1 3.98Å; T216-L219 HydrophobicContact CG2-CD1 4.41Å; T216-L219 WeakPolarHBondContact O-CB 3.42Å; T216-L219 PolarHBondContact O-N 3.11Å; A217-L219 VanDerWaalsContact C-N 3.28Å; A217-L219 PolarHBondContact O-N 3.25Å; L219-R221 PolarHBondContact O-N 3.23Å; L219-L222 HydrophobicContact CB-CB 4.08Å; L219-L222 HydrophobicContact CD1-CD1 4.33Å; L219-L222 HydrophobicContact CD1-CD2 4.41Å; L219-L222 WeakPolarHBondContact O-CB 3.38Å; L219-L222 PolarHBondContact O-N 3.38Å; L219-L222 VanDerWaalsContact O-N 3.11Å; L219-H243 PolarHBondContact O-CE1 3.44Å; L219-H243 VanDerWaalsContact O-CE1 3.3Å; L219-H243 PolarHBondContact O-ND1 3.19Å
220	V	96.5	Very high	97.2	Very high	90 Å²	90	44 Å²	44	55%	0.545	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-3.7	-168.5	-62.6	0	0	0	0	115.5	R195 D196 A218	R195-V220 PolarHBondContact O-N 3.25Å; D196-V220 HydrophobicContact CB-CG2 4.16Å; A218-V220 VanDerWaalsContact C-N 3.3Å; A218-V220 PolarHBondContact O-N 3.27Å
221	R	97.7	Very high	97.3	Very high	122 Å²	122	39.3 Å²	39.3	46%	0.46	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.5	16.4	176.7	-65.9	-160.4	177.5	137	-9.3	113	D196 L198 R199 L219 E223	D196-R221 WeakPolarHBondContact O-CD 3.49Å; D196-R221 WeakPolarHBondContact O-CG 3.45Å; D196-R221 VanDerWaalsContact O-CZ 3.26Å; D196-R221 PolarHBondContact O-NE 3.01Å; D196-R221 PolarHBondContact O-NH1 2.83Å; L198-R221 CarbonylContact O-C 3.58Å; L198-R221 VanDerWaalsContact O-C 3.27Å; R199-R221 WeakPolarHBondContact CA-O 3.46Å; L219-R221 PolarHBondContact O-N 3.23Å; R221-E223 PolarHBondContact O-N 2.98Å
222	L	98.5	Very high	97.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.194	C	C	.	.			trans	-65.7	117.8	-177.9	-168.6	69.8	0	0	0	110.7	L198 L201 L219 L225 T246 L247	L198-L222 HydrophobicContact CD2-CD1 4.3Å; L198-L222 PolarHBondContact O-N 3Å; L201-L222 HydrophobicContact CB-CD1 3.77Å; L219-L222 HydrophobicContact CB-CB 4.08Å; L219-L222 HydrophobicContact CD1-CD1 4.33Å; L219-L222 HydrophobicContact CD1-CD2 4.41Å; L219-L222 WeakPolarHBondContact O-CB 3.38Å; L219-L222 PolarHBondContact O-N 3.38Å; L219-L222 VanDerWaalsContact O-N 3.11Å; L222-L225 HydrophobicContact CD2-CB 4.31Å; L222-L225 HydrophobicContact CD2-CD1 4.47Å; L222-T246 CarbonylContact O-C 3.59Å; L222-T246 WeakPolarHBondContact O-CB 3.35Å; L222-T246 PolarHBondContact O-OG1 3.1Å; L222-L247 HydrophobicContact CD2-CD1 4.34Å; L222-L247 HydrophobicContact CG-CD1 4.18Å; L222-L247 PolarHBondContact O-N 3.27Å
223	E	98.7	Very high	97.5	Very high	36 Å²	36	38.5 Å²	38.5	17%	0.168	20%	0.2	C	C	.	.			trans	-106.9	-35.8	179.5	-61.2	-176.8	-151.5	0	0	111.3	R199 R221 K248 N249	R199-E223 IonicContact CZ-OE1 3.06Å; R199-E223 IonicContact NE-OE1 3.74Å; R199-E223 IonicContact NH1-OE1 2.7Å; R199-E223 PolarHBondContact NH1-OE1 2.94Å; R199-E223 PolarHBondContact O-N 2.89Å; R221-E223 PolarHBondContact O-N 2.98Å; E223-K248 HydrophobicContact CB-CD 4.39Å; E223-K248 HydrophobicContact CG-CD 4.49Å; E223-K248 PolarHBondContact O-N 3.11Å; E223-K248 IonicContact OE1-NZ 3.92Å; E223-K248 WeakPolarHBondContact OE2-CE 3.5Å; E223-K248 IonicContact OE2-NZ 2.6Å; E223-K248 PolarHBondContact OE2-NZ 3.25Å; E223-N249 PolarHBondContact O-N 2.84Å
224	D	98.9	Very high	97.5	Very high	42 Å²	42	40.3 Å²	40.3	23%	0.225	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	122.6	-176.3	-48.6	-47.9	0	0	0	110.4	R199 S200 L201 N249	R199-D224 PolarHBondContact O-N 2.79Å; S200-D224 WeakPolarHBondContact CA-O 3.04Å; L201-D224 PolarHBondContact N-O 2.93Å; D224-N249 WeakPolarHBondContact CA-O 3.43Å; D224-N249 HydrophobicContact CB-CB 4.45Å; D224-N249 WeakPolarHBondContact OD1-CB 3.46Å; D224-N249 PolarHBondContact OD1-ND2 3.04Å
225	L	98.7	Very high	97.5	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.016	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	115	175.3	178.9	59.6	0	0	0	109.9	L201 L222 L227 I240 L247 N249 L250 D251	L201-L225 HydrophobicContact CB-CD1 4.32Å; L201-L225 HydrophobicContact CD2-CD1 4.19Å; L201-L225 HydrophobicContact CG-CD1 4.35Å; L222-L225 HydrophobicContact CD2-CB 4.31Å; L222-L225 HydrophobicContact CD2-CD1 4.47Å; L225-L227 HydrophobicContact CD1-CD2 4.15Å; L225-L227 HydrophobicContact CD1-CG 4.18Å; L225-L227 HydrophobicContact CD2-CD1 4.06Å; L225-L227 HydrophobicContact CD2-CG 4.38Å; L225-L227 HydrophobicContact CG-CD1 4.24Å; L225-L227 HydrophobicContact CG-CG 4.02Å; L225-I240 HydrophobicContact CD2-CD1 4.4Å; L225-I240 HydrophobicContact CD2-CG1 3.93Å; L225-L247 HydrophobicContact CB-CD1 3.83Å; L225-N249 PolarHBondContact N-O 3.33Å; L225-L250 HydrophobicContact CB-CD1 4.27Å; L225-L250 HydrophobicContact CD2-CD1 4.25Å; L225-L250 HydrophobicContact CG-CD1 4.3Å; L225-D251 PolarHBondContact O-N 3.18Å
226	N	98.8	Very high	97.6	Very high	29 Å²	29	38 Å²	38	16%	0.155	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	115.6	175.4	-170.8	-4.7	0	0	0	110.6	L201 D202 L203 S204 Q228 D251	L201-N226 PolarHBondContact O-N 2.71Å; D202-N226 HydrophobicContact CB-CB 4.22Å; D202-N226 PolarHBondContact OD1-ND2 3.22Å; D202-N226 PolarHBondContact OD2-ND2 2.88Å; L203-N226 CarbonylContact C-O 3.42Å; L203-N226 PolarHBondContact N-O 3.33Å; S204-N226 WeakPolarHBondContact CB-OD1 3.42Å; S204-N226 PolarHBondContact N-O 3.08Å; N226-Q228 WeakPolarHBondContact OD1-CB 3.09Å; N226-Q228 PolarHBondContact OD1-N 3.27Å; N226-D251 HydrophobicContact CB-CB 4.4Å; N226-D251 WeakPolarHBondContact OD1-CB 3.49Å
227	L	98.6	Very high	97.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.205	C	C	.	.			trans	-120.4	15.7	175.3	-62.2	174.3	0	0	0	111.3	L203 L211 L225 N230 F232 P236 I240 D251 L252 N255	L203-L227 HydrophobicContact CB-CD2 4.13Å; L203-L227 HydrophobicContact CD1-CD2 4.25Å; L211-L227 HydrophobicContact CD1-CD1 3.89Å; L211-L227 HydrophobicContact CD1-CD2 4.18Å; L225-L227 HydrophobicContact CD1-CD2 4.15Å; L225-L227 HydrophobicContact CD1-CG 4.18Å; L225-L227 HydrophobicContact CD2-CD1 4.06Å; L225-L227 HydrophobicContact CD2-CG 4.38Å; L225-L227 HydrophobicContact CG-CD1 4.24Å; L225-L227 HydrophobicContact CG-CG 4.02Å; L227-N230 PolarHBondContact O-ND2 2.97Å; L227-F232 HydrophobicContact CB-CD2 4.5Å; L227-F232 HydrophobicContact CB-CE2 3.97Å; L227-F232 HydrophobicContact CD1-CE2 4.18Å; L227-F232 HydrophobicContact CD1-CZ 4.2Å; L227-F232 HydrophobicContact CD2-CE2 4.14Å; L227-F232 HydrophobicContact CD2-CZ 4.3Å; L227-F232 HydrophobicContact CG-CE2 4.33Å; L227-P236 HydrophobicContact CD1-CG 3.97Å; L227-I240 HydrophobicContact CD1-CD1 4.36Å; L227-D251 CarbonylContact C-O 3.35Å; L227-D251 WeakPolarHBondContact CA-O 3.35Å; L227-D251 PolarHBondContact N-O 3.38Å; L227-L252 HydrophobicContact CB-CD2 4.16Å; L227-L252 HydrophobicContact CD1-CD2 4.11Å; L227-N255 PolarHBondContact O-ND2 3.31Å
228	Q	98.4	Very high	97.5	Very high	34 Å²	34	41.4 Å²	41.4	16%	0.159	21%	0.214	C	C	.	.			trans	-52.8	147.8	178.5	179.5	-173.5	3.3	0	0	111.2	S204 G205 N226 N230 D251 A253 L254	S204-Q228 CarbonylContact C-O 3.54Å; S204-Q228 WeakPolarHBondContact CA-O 3.36Å; S204-Q228 VanDerWaalsContact CB-O 3.26Å; S204-Q228 WeakPolarHBondContact CB-O 3.11Å; G205-Q228 PolarHBondContact N-O 2.88Å; N226-Q228 WeakPolarHBondContact OD1-CB 3.09Å; N226-Q228 PolarHBondContact OD1-N 3.27Å; Q228-N230 PolarHBondContact O-N 3.07Å; Q228-N230 PolarHBondContact O-ND2 3.28Å; Q228-D251 PolarHBondContact N-O 3.48Å; Q228-A253 CarbonylContact C-O 3.56Å; Q228-A253 WeakPolarHBondContact CA-O 3.42Å; Q228-A253 HydrophobicContact CG-CB 4.04Å; Q228-A253 WeakPolarHBondContact CG-O 3.34Å; Q228-L254 HydrophobicContact CG-CB 4.37Å; Q228-L254 HydrophobicContact CG-CD1 4.13Å
229	R	98.5	Very high	97.5	Very high	139 Å²	139	40.2 Å²	40.2	53%	0.525	20%	0.204	S	C	.	.	S	Bend	trans	55.3	53.7	170.9	-167.8	-176	174	163	-0.2	111.5	G205 N206 A253 L254	G205-R229 CarbonylContact C-O 3.44Å; G205-R229 WeakPolarHBondContact CA-O 3.21Å; G205-R229 PolarHBondContact N-O 2.92Å; G205-R229 VanDerWaalsContact N-O 3.1Å; N206-R229 PolarHBondContact N-O 3.48Å; R229-A253 PolarHBondContact N-O 3.48Å; R229-L254 VanDerWaalsContact CA-O 3.27Å; R229-L254 WeakPolarHBondContact CA-O 3.42Å; R229-L254 HydrophobicContact CB-CB 3.99Å; R229-L254 HydrophobicContact CB-CD1 4.3Å
230	N	98.6	Very high	97.5	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.011	20%	0.204	C	C	.	.	S	Bend	trans	-121.5	-166.8	171.8	-86.9	-78.3	0	0	0	108.9	L203 N206 I208 L227 Q228 F232 N255	L203-N230 PolarHBondContact O-ND2 3.14Å; N206-N230 WeakPolarHBondContact CA-OD1 3.45Å; N206-N230 VanDerWaalsContact CB-OD1 3.23Å; N206-N230 WeakPolarHBondContact CB-OD1 3.31Å; N206-N230 PolarHBondContact O-OD1 3.14Å; I208-N230 HydrophobicContact CB-CB 4.42Å; I208-N230 VanDerWaalsContact CB-OD1 3.28Å; I208-N230 WeakPolarHBondContact CB-OD1 3.38Å; I208-N230 WeakPolarHBondContact CG1-OD1 3.41Å; I208-N230 PolarHBondContact N-OD1 3.43Å; L227-N230 PolarHBondContact O-ND2 2.97Å; Q228-N230 PolarHBondContact O-N 3.07Å; Q228-N230 PolarHBondContact O-ND2 3.28Å; N230-F232 HydrophobicContact CB-CD2 3.62Å; N230-F232 HydrophobicContact CB-CE2 3.74Å; N230-N255 WeakPolarHBondContact CA-OD1 3.32Å; N230-N255 VanDerWaalsContact CB-OD1 3.32Å; N230-N255 WeakPolarHBondContact CB-OD1 3.31Å; N230-N255 PolarHBondContact N-OD1 2.75Å; N230-N255 PolarHBondContact O-OD1 2.97Å; N230-N255 VanDerWaalsContact O-OD1 3.09Å
231	N	98.1	Very high	97.4	Very high	43 Å²	43	40.1 Å²	40.1	23%	0.23	20%	0.198	C	C	.	.			trans	-108.6	27.7	-178.1	-68.1	-28.8	0	0	0	112.6	F207 I208 Q209 Y256	F207-N231 PolarHBondContact O-ND2 3.09Å; I208-N231 CarbonylContact O-C 3.27Å; I208-N231 WeakPolarHBondContact O-CA 3.29Å; I208-N231 PolarHBondContact O-N 3.13Å; Q209-N231 HydrophobicContact CG-CB 3.64Å; N231-Y256 HydrophobicContact CB-CE2 4.29Å
232	F	98	Very high	97.2	Very high	1 Å²	1	39.3 Å²	39.3	0%	0.004	20%	0.198	C	C	.	.			trans	-71.1	132.7	-179.3	-69.1	-81.3	0	0	0	111.7	I208 Q209 L211 L227 N230 P236 N255 Y256 F257	I208-F232 HydrophobicContact CB-CE2 4.11Å; I208-F232 HydrophobicContact CB-CZ 4.07Å; I208-F232 HydrophobicContact CG2-CE1 4.05Å; I208-F232 HydrophobicContact CG2-CE2 3.99Å; I208-F232 HydrophobicContact CG2-CZ 3.43Å; I208-F232 VanDerWaalsContact CG2-CZ 3.43Å; I208-F232 PolarHBondContact O-N 3.3Å; Q209-F232 VanDerWaalsContact O-CD1 3.26Å; Q209-F232 WeakPolarHBondContact O-CD1 3.25Å; L211-F232 HydrophobicContact CD1-CZ 4.31Å; L211-F232 HydrophobicContact CD2-CZ 4.21Å; L211-F232 HydrophobicContact CG-CE1 4.03Å; L211-F232 HydrophobicContact CG-CZ 3.8Å; L227-F232 HydrophobicContact CB-CD2 4.5Å; L227-F232 HydrophobicContact CB-CE2 3.97Å; L227-F232 HydrophobicContact CD1-CE2 4.18Å; L227-F232 HydrophobicContact CD1-CZ 4.2Å; L227-F232 HydrophobicContact CD2-CE2 4.14Å; L227-F232 HydrophobicContact CD2-CZ 4.3Å; L227-F232 HydrophobicContact CG-CE2 4.33Å; N230-F232 HydrophobicContact CB-CD2 3.62Å; N230-F232 HydrophobicContact CB-CE2 3.74Å; F232-P236 HydrophobicContact CD1-CB 4.44Å; F232-P236 HydrophobicContact CD1-CG 4.17Å; F232-P236 HydrophobicContact CE1-CB 4.02Å; F232-P236 HydrophobicContact CE1-CG 3.84Å; F232-P236 HydrophobicContact CZ-CG 4.33Å; F232-N255 HydrophobicContact CB-CB 4.31Å; F232-N255 WeakPolarHBondContact CD2-OD1 3.47Å; F232-N255 PolarHBondContact N-OD1 2.94Å; F232-N255 VanDerWaalsContact N-OD1 3.14Å; F232-Y256 CarbonylContact O-C 3.6Å; F232-Y256 WeakPolarHBondContact O-CA 3.4Å; F232-Y256 WeakPolarHBondContact O-CB 3.38Å; F232-Y256 PolarHBondContact O-N 2.96Å; F232-F257 HydrophobicContact CB-CE1 3.45Å; F232-F257 VanDerWaalsContact CB-CE1 3.45Å; F232-F257 HydrophobicContact CB-CE2 4.46Å; F232-F257 HydrophobicContact CB-CZ 3.4Å; F232-F257 VanDerWaalsContact CB-CZ 3.4Å; F232-F257 HydrophobicContact CG-CE1 4.47Å; F232-F257 HydrophobicContact CG-CZ 4.19Å
233	T	96.9	Very high	97.1	Very high	82 Å²	82	39.5 Å²	39.5	50%	0.503	20%	0.198	S	C	.	.	S	Bend	trans	-103	-28.8	174.6	48.6	0	0	0	0	112.7
234	D	96	Very high	97	Very high	90 Å²	90	43.3 Å²	43.3	48%	0.481	22%	0.215	S	C	.	.	S	Bend	trans	-130.3	142.1	174.6	-68.9	-70.4	0	0	0	110	F257	D234-F257 WeakPolarHBondContact O-CE1 3.03Å
235	V	96.6	Very high	96.9	Very high	16 Å²	16	44.6 Å²	44.6	10%	0.097	23%	0.227	C	C	.	.			trans	-58.8	129.8	-179.3	177.8	0	0	0	0	109.1	L237 I240 L252 F257 M260 L265	V235-L237 HydrophobicContact CB-CG 4.5Å; V235-L237 HydrophobicContact CG1-CD2 4.17Å; V235-L237 HydrophobicContact CG1-CG 4.19Å; V235-L237 PolarHBondContact O-N 3.48Å; V235-I240 HydrophobicContact CG1-CD1 4.46Å; V235-L252 HydrophobicContact CG1-CD1 4.12Å; V235-L252 HydrophobicContact CG2-CD1 4.28Å; V235-F257 HydrophobicContact CB-CE1 4.46Å; V235-F257 HydrophobicContact CG2-CD1 4.02Å; V235-F257 HydrophobicContact CG2-CE1 4.02Å; V235-F257 HydrophobicContact CG2-CG 4.36Å; V235-F257 HydrophobicContact CG2-CZ 4.36Å; V235-F257 VanDerWaalsContact N-CE1 3.33Å; V235-M260 HydrophobicContact CG2-SD 4.04Å; V235-L265 HydrophobicContact CG1-CD2 3.78Å
236	P	96.1	Very high	96.9	Very high	12 Å²	12	45.8 Å²	45.8	8%	0.078	23%	0.234	C	C	.	.			trans	-77.8	58.7	-176.5	31.8	-35.1	0	0	0	112.1	L211 L227 F232 P238 A239 I240	L211-P236 HydrophobicContact CB-CB 4.25Å; L211-P236 HydrophobicContact CD1-CB 4.27Å; L211-P236 HydrophobicContact CD1-CG 4.12Å; L211-P236 HydrophobicContact CG-CB 4.36Å; L227-P236 HydrophobicContact CD1-CG 3.97Å; F232-P236 HydrophobicContact CD1-CB 4.44Å; F232-P236 HydrophobicContact CD1-CG 4.17Å; F232-P236 HydrophobicContact CE1-CB 4.02Å; F232-P236 HydrophobicContact CE1-CG 3.84Å; F232-P236 HydrophobicContact CZ-CG 4.33Å; P236-P238 VanDerWaalsContact C-CD 3.47Å; P236-A239 PolarHBondContact O-N 3.14Å; P236-I240 HydrophobicContact CG-CD1 3.74Å; P236-I240 HydrophobicContact CG-CG1 4.35Å; P236-I240 PolarHBondContact O-N 3Å; P236-I240 VanDerWaalsContact O-N 3.15Å
237	L	95.8	Very high	96.9	Very high	34 Å²	34	44.4 Å²	44.4	18%	0.178	23%	0.227	C	C	.	.	H	α-helix	trans	-50.7	-46.8	-176.6	-78.5	178.9	0	0	0	113.9	V235 A239 I240 Q241 P261 L265	V235-L237 HydrophobicContact CB-CG 4.5Å; V235-L237 HydrophobicContact CG1-CD2 4.17Å; V235-L237 HydrophobicContact CG1-CG 4.19Å; V235-L237 PolarHBondContact O-N 3.48Å; L237-A239 PolarHBondContact O-N 3.1Å; L237-A239 VanDerWaalsContact O-N 3.13Å; L237-I240 PolarHBondContact O-N 3.22Å; L237-I240 VanDerWaalsContact O-N 3.16Å; L237-Q241 VanDerWaalsContact O-CB 3.3Å; L237-Q241 WeakPolarHBondContact O-CB 3.2Å; L237-Q241 VanDerWaalsContact O-CG 3.25Å; L237-Q241 WeakPolarHBondContact O-CG 3.38Å; L237-Q241 PolarHBondContact O-N 2.86Å; L237-P261 HydrophobicContact CD1-CB 3.43Å; L237-P261 VanDerWaalsContact CD1-CB 3.43Å; L237-P261 HydrophobicContact CD1-CG 3.74Å; L237-P261 HydrophobicContact CD2-CG 4.09Å; L237-P261 HydrophobicContact CG-CB 4.33Å; L237-P261 HydrophobicContact CG-CG 4.13Å; L237-L265 HydrophobicContact CD2-CD2 3.91Å
238	P	95.1	Very high	96.9	Very high	69 Å²	69	47.6 Å²	47.6	45%	0.448	24%	0.241	S	C	.	.	H	α-helix	trans	-59.6	-30	-176.5	-25.8	36.2	0	0	0	114	P213 P236	P213-P238 HydrophobicContact CB-CB 3.8Å; P213-P238 HydrophobicContact CG-CB 3.97Å; P236-P238 VanDerWaalsContact C-CD 3.47Å
239	A	96.1	Very high	96.9	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.008	25%	0.249	C	C	.	.	H	α-helix	trans	-81.9	-44.1	176.6	0	0	0	0	0	111.7	L211 P213 P236 L237	L211-A239 HydrophobicContact CB-CB 3.94Å; L211-A239 HydrophobicContact CD1-CB 4.31Å; P213-A239 WeakPolarHBondContact O-CA 3.44Å; P236-A239 PolarHBondContact O-N 3.14Å; L237-A239 PolarHBondContact O-N 3.1Å; L237-A239 VanDerWaalsContact O-N 3.13Å
240	I	96.2	Very high	96.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-71.8	-35.6	-176.3	-68.4	172	0	0	0	112.1	L225 L227 V235 P236 L237 K242 H243 L247 L250 L267	L225-I240 HydrophobicContact CD2-CD1 4.4Å; L225-I240 HydrophobicContact CD2-CG1 3.93Å; L227-I240 HydrophobicContact CD1-CD1 4.36Å; V235-I240 HydrophobicContact CG1-CD1 4.46Å; P236-I240 HydrophobicContact CG-CD1 3.74Å; P236-I240 HydrophobicContact CG-CG1 4.35Å; P236-I240 PolarHBondContact O-N 3Å; P236-I240 VanDerWaalsContact O-N 3.15Å; L237-I240 PolarHBondContact O-N 3.22Å; L237-I240 VanDerWaalsContact O-N 3.16Å; I240-K242 PolarHBondContact O-N 3.43Å; I240-H243 WeakPolarHBondContact O-CB 3.32Å; I240-H243 PolarHBondContact O-N 2.93Å; I240-L247 HydrophobicContact CG2-CD2 3.88Å; I240-L250 HydrophobicContact CD1-CD1 3.99Å; I240-L250 HydrophobicContact CD1-CD2 4.14Å; I240-L250 HydrophobicContact CG2-CD2 4.35Å; I240-L267 HydrophobicContact CG2-CD1 3.7Å; I240-L267 HydrophobicContact CG2-CD2 4.01Å; I240-L267 HydrophobicContact CG2-CG 4.34Å
241	Q	94.1	Very high	96.9	Very high	87 Å²	87	44.2 Å²	44.2	41%	0.407	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-61.8	-16.3	-179.8	-77.8	176.6	-30.5	0	0	113.8	L237 H243 F244	L237-Q241 VanDerWaalsContact O-CB 3.3Å; L237-Q241 WeakPolarHBondContact O-CB 3.2Å; L237-Q241 VanDerWaalsContact O-CG 3.25Å; L237-Q241 WeakPolarHBondContact O-CG 3.38Å; L237-Q241 PolarHBondContact O-N 2.86Å; Q241-H243 PolarHBondContact O-N 2.93Å; Q241-F244 PolarHBondContact O-N 3.01Å
242	K	95.2	Very high	96.9	Very high	106 Å²	106	42.1 Å²	42.1	46%	0.461	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-64.6	-19.3	171.3	-59.5	-62.9	170.6	-177.3	0	112.9	A217 I240	A217-K242 HydrophobicContact CB-CB 4.4Å; A217-K242 HydrophobicContact CB-CD 4.44Å; A217-K242 HydrophobicContact CB-CG 3.99Å; I240-K242 PolarHBondContact O-N 3.43Å
243	H	96.7	Very high	96.9	Very high	3 Å²	3	42.2 Å²	42.2	1%	0.014	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-107.4	23.8	-177.1	-52.7	-61.2	0	0	0	112.5	T216 L219 I240 Q241 S245 T246 L247	T216-H243 PolarHBondContact O-CE1 2.87Å; T216-H243 PolarHBondContact O-NE2 3.36Å; T216-H243 PolarHBondContact OG1-NE2 3.39Å; L219-H243 PolarHBondContact O-CE1 3.44Å; L219-H243 VanDerWaalsContact O-CE1 3.3Å; L219-H243 PolarHBondContact O-ND1 3.19Å; I240-H243 WeakPolarHBondContact O-CB 3.32Å; I240-H243 PolarHBondContact O-N 2.93Å; Q241-H243 PolarHBondContact O-N 2.93Å; H243-S245 PolarHBondContact O-N 3.38Å; H243-S245 VanDerWaalsContact O-N 3.08Å; H243-T246 PolarHBondContact O-N 3.48Å; H243-L247 HydrophobicContact CB-CB 3.91Å; H243-L247 HydrophobicContact CB-CD1 4.44Å; H243-L247 WeakPolarHBondContact O-CB 3.43Å; H243-L247 PolarHBondContact O-N 3.42Å
244	F	96.2	Very high	97	Very high	117 Å²	117	41.1 Å²	41.1	51%	0.513	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-30.8	-178	79.7	-83.8	0	0	0	113.4	Q241 P268	Q241-F244 PolarHBondContact O-N 3.01Å; F244-P268 VanDerWaalsContact O-CD 3.23Å; F244-P268 WeakPolarHBondContact O-CD 3.33Å; F244-P268 WeakPolarHBondContact O-CG 3.49Å
245	S	96.5	Very high	97.1	Very high	69 Å²	69	37 Å²	37	48%	0.483	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-5.1	-178.3	56.9	0	0	0	0	114.4	H243 Q269	H243-S245 PolarHBondContact O-N 3.38Å; H243-S245 VanDerWaalsContact O-N 3.08Å; S245-Q269 WeakPolarHBondContact O-CG 3.27Å
246	T	98.2	Very high	97.1	Very high	27 Å²	27	41.3 Å²	41.3	17%	0.166	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.3	-34.8	-171.1	59.6	0	0	0	0	113.9	L222 H243 K248	L222-T246 CarbonylContact O-C 3.59Å; L222-T246 WeakPolarHBondContact O-CB 3.35Å; L222-T246 PolarHBondContact O-OG1 3.1Å; H243-T246 PolarHBondContact O-N 3.48Å; T246-K248 PolarHBondContact O-N 3.43Å
247	L	98.6	Very high	97.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.204	C	C	.	.			trans	-69.5	123.3	-171.8	-154.6	73.6	0	0	0	111.3	L222 L225 I240 H243 L250 L267 Q269 L270	L222-L247 HydrophobicContact CD2-CD1 4.34Å; L222-L247 HydrophobicContact CG-CD1 4.18Å; L222-L247 PolarHBondContact O-N 3.27Å; L225-L247 HydrophobicContact CB-CD1 3.83Å; I240-L247 HydrophobicContact CG2-CD2 3.88Å; H243-L247 HydrophobicContact CB-CB 3.91Å; H243-L247 HydrophobicContact CB-CD1 4.44Å; H243-L247 WeakPolarHBondContact O-CB 3.43Å; H243-L247 PolarHBondContact O-N 3.42Å; L247-L250 HydrophobicContact CD2-CB 4.05Å; L247-L250 HydrophobicContact CD2-CD1 4.28Å; L247-L250 HydrophobicContact CD2-CD2 4.35Å; L247-L250 HydrophobicContact CD2-CG 4.45Å; L247-L267 HydrophobicContact CD2-CD1 3.95Å; L247-Q269 CarbonylContact O-C 3.27Å; L247-Q269 VanDerWaalsContact O-C 3.24Å; L247-L270 HydrophobicContact CD2-CD1 4.45Å; L247-L270 HydrophobicContact CG-CD1 4.47Å; L247-L270 WeakPolarHBondContact O-CA 3.17Å; L247-L270 PolarHBondContact O-N 3.42Å
248	K	98.8	Very high	97	Very high	67 Å²	67	41.7 Å²	41.7	29%	0.291	21%	0.214	S	C	.	.			trans	-110.5	-37	-179.9	-66.4	175.8	-171.2	167	0	111.9	E223 T246 L270 R271 S272	E223-K248 HydrophobicContact CB-CD 4.39Å; E223-K248 HydrophobicContact CG-CD 4.49Å; E223-K248 PolarHBondContact O-N 3.11Å; E223-K248 IonicContact OE1-NZ 3.92Å; E223-K248 WeakPolarHBondContact OE2-CE 3.5Å; E223-K248 IonicContact OE2-NZ 2.6Å; E223-K248 PolarHBondContact OE2-NZ 3.25Å; T246-K248 PolarHBondContact O-N 3.43Å; K248-L270 WeakPolarHBondContact O-CD1 3.48Å; K248-R271 PolarHBondContact O-N 3.13Å; K248-S272 PolarHBondContact O-N 3.48Å
249	N	98.8	Very high	96.8	Very high	62 Å²	62	44.4 Å²	44.4	33%	0.332	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	125.3	-177.5	-58	-56.4	0	0	0	109.9	E223 D224 L225 S272	E223-N249 PolarHBondContact O-N 2.84Å; D224-N249 WeakPolarHBondContact CA-O 3.43Å; D224-N249 HydrophobicContact CB-CB 4.45Å; D224-N249 WeakPolarHBondContact OD1-CB 3.46Å; D224-N249 PolarHBondContact OD1-ND2 3.04Å; L225-N249 PolarHBondContact N-O 3.33Å; N249-S272 WeakPolarHBondContact OD1-CB 3.08Å
250	L	98.7	Very high	96.7	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.016	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	116	179.1	177.1	59.2	0	0	0	109.6	L225 I240 L247 L252 L265 L267 L270 S272 L273 S274	L225-L250 HydrophobicContact CB-CD1 4.27Å; L225-L250 HydrophobicContact CD2-CD1 4.25Å; L225-L250 HydrophobicContact CG-CD1 4.3Å; I240-L250 HydrophobicContact CD1-CD1 3.99Å; I240-L250 HydrophobicContact CD1-CD2 4.14Å; I240-L250 HydrophobicContact CG2-CD2 4.35Å; L247-L250 HydrophobicContact CD2-CB 4.05Å; L247-L250 HydrophobicContact CD2-CD1 4.28Å; L247-L250 HydrophobicContact CD2-CD2 4.35Å; L247-L250 HydrophobicContact CD2-CG 4.45Å; L250-L252 HydrophobicContact CD1-CD2 4.16Å; L250-L252 HydrophobicContact CD1-CG 4.06Å; L250-L252 HydrophobicContact CD2-CD1 3.9Å; L250-L252 HydrophobicContact CD2-CG 4.27Å; L250-L252 HydrophobicContact CG-CD1 4.1Å; L250-L252 HydrophobicContact CG-CG 3.92Å; L250-L265 HydrophobicContact CD2-CD1 3.94Å; L250-L267 HydrophobicContact CD2-CD1 4.01Å; L250-L270 HydrophobicContact CB-CD1 3.71Å; L250-S272 PolarHBondContact N-O 3.5Å; L250-L273 HydrophobicContact CB-CD1 4.3Å; L250-L273 HydrophobicContact CD2-CD1 4.17Å; L250-L273 HydrophobicContact CG-CD1 4.21Å; L250-L273 WeakPolarHBondContact O-CA 3.29Å; L250-S274 PolarHBondContact O-N 3.34Å; L250-S274 VanDerWaalsContact O-N 3.07Å
251	D	98.8	Very high	96.6	Very high	39 Å²	39	46.5 Å²	46.5	21%	0.209	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	118.1	175.5	-162.4	-27.4	0	0	0	110.6	L225 N226 L227 Q228 A253 S274	L225-D251 PolarHBondContact O-N 3.18Å; N226-D251 HydrophobicContact CB-CB 4.4Å; N226-D251 WeakPolarHBondContact OD1-CB 3.49Å; L227-D251 CarbonylContact C-O 3.35Å; L227-D251 WeakPolarHBondContact CA-O 3.35Å; L227-D251 PolarHBondContact N-O 3.38Å; Q228-D251 PolarHBondContact N-O 3.48Å; D251-A253 WeakPolarHBondContact OD1-CB 3.38Å; D251-A253 PolarHBondContact OD1-N 3.35Å; D251-S274 WeakPolarHBondContact OD1-CB 3.36Å
252	L	98.5	Very high	96.3	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.238	C	C	.	.			trans	-123	11.1	-178.2	-72.6	178.9	0	0	0	111.2	L227 V235 L250 N255 F257 L273 S274 L275 N278	L227-L252 HydrophobicContact CB-CD2 4.16Å; L227-L252 HydrophobicContact CD1-CD2 4.11Å; V235-L252 HydrophobicContact CG1-CD1 4.12Å; V235-L252 HydrophobicContact CG2-CD1 4.28Å; L250-L252 HydrophobicContact CD1-CD2 4.16Å; L250-L252 HydrophobicContact CD1-CG 4.06Å; L250-L252 HydrophobicContact CD2-CD1 3.9Å; L250-L252 HydrophobicContact CD2-CG 4.27Å; L250-L252 HydrophobicContact CG-CD1 4.1Å; L250-L252 HydrophobicContact CG-CG 3.92Å; L252-N255 PolarHBondContact O-ND2 3.24Å; L252-N255 VanDerWaalsContact O-ND2 3.1Å; L252-F257 HydrophobicContact CB-CD2 4.38Å; L252-F257 HydrophobicContact CB-CE2 3.7Å; L252-F257 HydrophobicContact CD1-CE2 4.36Å; L252-F257 HydrophobicContact CD2-CE2 4Å; L252-F257 HydrophobicContact CD2-CZ 4.02Å; L252-F257 HydrophobicContact CG-CE2 4.22Å; L252-F257 WeakPolarHBondContact O-CE2 3.32Å; L252-L273 HydrophobicContact CD1-CD1 4.4Å; L252-S274 CarbonylContact C-O 3.51Å; L252-S274 WeakPolarHBondContact CA-O 3.43Å; L252-S274 WeakPolarHBondContact CB-O 3.29Å; L252-S274 PolarHBondContact N-O 2.98Å; L252-L275 HydrophobicContact CB-CD2 3.93Å; L252-L275 HydrophobicContact CD1-CD2 4.01Å; L252-N278 PolarHBondContact O-ND2 2.9Å
253	A	98.2	Very high	96	Very high	2 Å²	2	44.1 Å²	44.1	2%	0.017	24%	0.236	C	C	.	.			trans	-64.2	161	-176.9	0	0	0	0	0	112.9	Q228 R229 D251 N255 S274 E276	Q228-A253 CarbonylContact C-O 3.56Å; Q228-A253 WeakPolarHBondContact CA-O 3.42Å; Q228-A253 HydrophobicContact CG-CB 4.04Å; Q228-A253 WeakPolarHBondContact CG-O 3.34Å; R229-A253 PolarHBondContact N-O 3.48Å; D251-A253 WeakPolarHBondContact OD1-CB 3.38Å; D251-A253 PolarHBondContact OD1-N 3.35Å; A253-N255 VanDerWaalsContact C-N 3.25Å; A253-N255 PolarHBondContact O-N 3.31Å; A253-N255 PolarHBondContact O-ND2 3.14Å; A253-N255 VanDerWaalsContact O-ND2 3.14Å; A253-S274 PolarHBondContact N-O 3.25Å; A253-E276 CarbonylContact C-O 3.52Å; A253-E276 WeakPolarHBondContact CA-O 3.44Å; A253-E276 HydrophobicContact CB-CB 3.98Å; A253-E276 WeakPolarHBondContact CB-O 3.23Å
254	L	98.1	Very high	95.7	Very high	60 Å²	60	44.1 Å²	44.1	31%	0.314	24%	0.236	S	C	.	.	S	Bend	trans	54.6	38.1	176.4	-65.8	161	0	0	0	113.5	Q228 R229 E276 Y277	Q228-L254 HydrophobicContact CG-CB 4.37Å; Q228-L254 HydrophobicContact CG-CD1 4.13Å; R229-L254 VanDerWaalsContact CA-O 3.27Å; R229-L254 WeakPolarHBondContact CA-O 3.42Å; R229-L254 HydrophobicContact CB-CB 3.99Å; R229-L254 HydrophobicContact CB-CD1 4.3Å; L254-E276 PolarHBondContact N-O 3.33Å; L254-Y277 WeakPolarHBondContact CA-O 3.5Å; L254-Y277 VanDerWaalsContact CD2-CB 3.47Å; L254-Y277 HydrophobicContact CD2-CD2 4.29Å; L254-Y277 HydrophobicContact CD2-CG 3.98Å
255	N	98	Very high	95.7	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.021	21%	0.212	C	C	.	.	S	Bend	trans	-109.7	-163.1	170.9	-80.9	-76.3	0	0	0	109.5	L227 N230 F232 L252 A253 F257 N278	L227-N255 PolarHBondContact O-ND2 3.31Å; N230-N255 WeakPolarHBondContact CA-OD1 3.32Å; N230-N255 VanDerWaalsContact CB-OD1 3.32Å; N230-N255 WeakPolarHBondContact CB-OD1 3.31Å; N230-N255 PolarHBondContact N-OD1 2.75Å; N230-N255 PolarHBondContact O-OD1 2.97Å; N230-N255 VanDerWaalsContact O-OD1 3.09Å; F232-N255 HydrophobicContact CB-CB 4.31Å; F232-N255 WeakPolarHBondContact CD2-OD1 3.47Å; F232-N255 PolarHBondContact N-OD1 2.94Å; F232-N255 VanDerWaalsContact N-OD1 3.14Å; L252-N255 PolarHBondContact O-ND2 3.24Å; L252-N255 VanDerWaalsContact O-ND2 3.1Å; A253-N255 VanDerWaalsContact C-N 3.25Å; A253-N255 PolarHBondContact O-N 3.31Å; A253-N255 PolarHBondContact O-ND2 3.14Å; A253-N255 VanDerWaalsContact O-ND2 3.14Å; N255-F257 HydrophobicContact CB-CD2 3.85Å; N255-F257 HydrophobicContact CB-CE2 3.48Å; N255-F257 VanDerWaalsContact CB-CE2 3.48Å; N255-F257 HydrophobicContact CB-CZ 3.95Å; N255-N278 VanDerWaalsContact CA-OD1 3.27Å; N255-N278 WeakPolarHBondContact CA-OD1 3.49Å; N255-N278 VanDerWaalsContact CB-OD1 3.22Å; N255-N278 WeakPolarHBondContact CB-OD1 3.45Å; N255-N278 PolarHBondContact N-OD1 2.94Å; N255-N278 PolarHBondContact O-OD1 3.21Å; N255-N278 VanDerWaalsContact O-OD1 3.13Å
256	Y	97	Very high	95.7	Very high	106 Å²	106	39 Å²	39	42%	0.416	21%	0.206	S	C	.	.			trans	-114.6	25.6	-178.7	-56.2	-65.4	0	0	0	113.2	N231 F232 S258 N278 K279	N231-Y256 HydrophobicContact CB-CE2 4.29Å; F232-Y256 CarbonylContact O-C 3.6Å; F232-Y256 WeakPolarHBondContact O-CA 3.4Å; F232-Y256 WeakPolarHBondContact O-CB 3.38Å; F232-Y256 PolarHBondContact O-N 2.96Å; Y256-S258 PolarHBondContact O-N 3.18Å; Y256-N278 PolarHBondContact N-OD1 3.2Å; Y256-K279 HydrophobicContact CD1-CD 4.45Å
257	F	95.4	Very high	95.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.198	C	C	.	.			trans	-61.6	120.7	-179.7	-58	-52.3	0	0	0	111	F232 D234 V235 L252 N255 N278 K279 I280	F232-F257 HydrophobicContact CB-CE1 3.45Å; F232-F257 VanDerWaalsContact CB-CE1 3.45Å; F232-F257 HydrophobicContact CB-CE2 4.46Å; F232-F257 HydrophobicContact CB-CZ 3.4Å; F232-F257 VanDerWaalsContact CB-CZ 3.4Å; F232-F257 HydrophobicContact CG-CE1 4.47Å; F232-F257 HydrophobicContact CG-CZ 4.19Å; D234-F257 WeakPolarHBondContact O-CE1 3.03Å; V235-F257 HydrophobicContact CB-CE1 4.46Å; V235-F257 HydrophobicContact CG2-CD1 4.02Å; V235-F257 HydrophobicContact CG2-CE1 4.02Å; V235-F257 HydrophobicContact CG2-CG 4.36Å; V235-F257 HydrophobicContact CG2-CZ 4.36Å; V235-F257 VanDerWaalsContact N-CE1 3.33Å; L252-F257 HydrophobicContact CB-CD2 4.38Å; L252-F257 HydrophobicContact CB-CE2 3.7Å; L252-F257 HydrophobicContact CD1-CE2 4.36Å; L252-F257 HydrophobicContact CD2-CE2 4Å; L252-F257 HydrophobicContact CD2-CZ 4.02Å; L252-F257 HydrophobicContact CG-CE2 4.22Å; L252-F257 WeakPolarHBondContact O-CE2 3.32Å; N255-F257 HydrophobicContact CB-CD2 3.85Å; N255-F257 HydrophobicContact CB-CE2 3.48Å; N255-F257 VanDerWaalsContact CB-CE2 3.48Å; N255-F257 HydrophobicContact CB-CZ 3.95Å; F257-N278 HydrophobicContact CB-CB 4.21Å; F257-N278 WeakPolarHBondContact CD2-OD1 3.24Å; F257-N278 PolarHBondContact N-OD1 2.84Å; F257-N278 VanDerWaalsContact N-OD1 3.16Å; F257-K279 CarbonylContact O-C 3.42Å; F257-K279 WeakPolarHBondContact O-CA 3.26Å; F257-K279 WeakPolarHBondContact O-CB 3.39Å; F257-K279 PolarHBondContact O-N 3.07Å; F257-I280 HydrophobicContact CB-CG1 4.28Å; F257-I280 WeakPolarHBondContact O-CG1 3.07Å; F257-I280 PolarHBondContact O-N 3.04Å; F257-I280 VanDerWaalsContact O-N 3.08Å
258	S	93.4	Very high	95.6	Very high	53 Å²	53	39.8 Å²	39.8	37%	0.371	21%	0.212	S	C	.	.			trans	-95.2	-21.5	176.7	58.8	0	0	0	0	113.4	Y256	Y256-S258 PolarHBondContact O-N 3.18Å
259	K	92.3	Very high	95.5	Very high	127 Å²	127	40.2 Å²	40.2	55%	0.552	22%	0.215	S	C	*	.	S	Bend	trans	-148.4	153.5	-179.2	62.8	-175.2	179.6	-178	0	109.2
260	M	93.6	Very high	95.5	Very high	17 Å²	17	37.3 Å²	37.3	8%	0.084	20%	0.199	C	C	.	.			trans	-94.8	152.3	168.3	-74.8	-65.1	-72.6	0	0	110.4	V235 L265 L275 I280 L283 V287	V235-M260 HydrophobicContact CG2-SD 4.04Å; M260-L265 HydrophobicContact CE-CD1 4.38Å; M260-L265 HydrophobicContact CE-CD2 3.93Å; M260-L265 HydrophobicContact CE-CG 4.13Å; M260-L275 HydrophobicContact CE-CD1 3.76Å; M260-L275 HydrophobicContact CE-CD2 4.02Å; M260-L275 HydrophobicContact CG-CD1 4.25Å; M260-L275 HydrophobicContact SD-CD1 3.78Å; M260-L275 HydrophobicContact SD-CD2 3.58Å; M260-L275 VanDerWaalsContact SD-CD2 3.58Å; M260-L275 HydrophobicContact SD-CG 4.36Å; M260-I280 HydrophobicContact CG-CD1 3.93Å; M260-I280 HydrophobicContact SD-CD1 4.2Å; M260-L283 HydrophobicContact CG-CD2 4.21Å; M260-V287 HydrophobicContact CB-CG2 3.28Å; M260-V287 HydrophobicContact CG-CG2 3.93Å
261	P	93.5	Very high	95.5	Very high	28 Å²	28	42.6 Å²	42.6	18%	0.182	22%	0.219	C	C	.	.			trans	-65.6	155.4	175.9	26.5	-34.2	0	0	0	112.9	L237 G264 L265	L237-P261 HydrophobicContact CD1-CB 3.43Å; L237-P261 VanDerWaalsContact CD1-CB 3.43Å; L237-P261 HydrophobicContact CD1-CG 3.74Å; L237-P261 HydrophobicContact CD2-CG 4.09Å; L237-P261 HydrophobicContact CG-CB 4.33Å; L237-P261 HydrophobicContact CG-CG 4.13Å; P261-G264 VanDerWaalsContact O-CA 3.25Å; P261-G264 WeakPolarHBondContact O-CA 3.35Å; P261-G264 PolarHBondContact O-N 3.31Å; P261-L265 HydrophobicContact CG-CD2 3.95Å
262	S	87.7	Confident	95.5	Very high	79 Å²	79	41.8 Å²	41.8	55%	0.552	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121.8	130.1	172.9	59.9	0	0	0	0	109.5	G264	S262-G264 VanDerWaalsContact CA-N 3.28Å
263	P	88.6	Confident	95.5	Very high	64 Å²	64	41.8 Å²	41.8	42%	0.416	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	cis	-88	60.4	6.1	36.7	-36.1	0	0	0	113	Q266 S286 E289	P263-Q266 PolarHBondContact O-NE2 2.87Å; P263-S286 CarbonylContact C-O 3.49Å; P263-S286 VanDerWaalsContact C-O 3.25Å; P263-E289 HydrophobicContact CB-CB 4.28Å; P263-E289 HydrophobicContact CB-CG 4.43Å
264	G	91.5	Very high	95.5	Very high	3 Å²	3	42.1 Å²	42.1	3%	0.031	22%	0.219	C	C	.	.			trans	84.9	-161.3	177.6	0	0	0	0	0	114.8	P261 S262 S286 V287	P261-G264 VanDerWaalsContact O-CA 3.25Å; P261-G264 WeakPolarHBondContact O-CA 3.35Å; P261-G264 PolarHBondContact O-N 3.31Å; S262-G264 VanDerWaalsContact CA-N 3.28Å; G264-S286 PolarHBondContact N-O 3.35Å; G264-V287 WeakPolarHBondContact CA-O 3.46Å
265	L	95.9	Very high	95.5	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	20%	0.204	C	C	.	.			trans	-82.3	-23.7	-174.8	-61.6	180	0	0	0	113.8	V235 L237 L250 M260 P261 L267 L270 L273 T291	V235-L265 HydrophobicContact CG1-CD2 3.78Å; L237-L265 HydrophobicContact CD2-CD2 3.91Å; L250-L265 HydrophobicContact CD2-CD1 3.94Å; M260-L265 HydrophobicContact CE-CD1 4.38Å; M260-L265 HydrophobicContact CE-CD2 3.93Å; M260-L265 HydrophobicContact CE-CG 4.13Å; P261-L265 HydrophobicContact CG-CD2 3.95Å; L265-L267 HydrophobicContact CB-CB 4.5Å; L265-L267 HydrophobicContact CB-CD1 3.96Å; L265-L267 HydrophobicContact CB-CG 4.02Å; L265-L267 HydrophobicContact CD1-CD1 4.21Å; L265-L270 HydrophobicContact CD1-CD2 4.04Å; L265-L273 HydrophobicContact CD1-CD1 3.91Å; L265-L273 HydrophobicContact CD1-CD2 3.8Å; L265-T291 HydrophobicContact CB-CG2 4.11Å
266	Q	95.3	Very high	95.3	Very high	75 Å²	75	40.1 Å²	40.1	35%	0.35	21%	0.208	S	C	.	.			trans	57	49.6	-175.3	-59	-67.7	-48.6	0	0	112.4	P263 P268 E289	P263-Q266 PolarHBondContact O-NE2 2.87Å; Q266-P268 WeakPolarHBondContact O-CD 3.27Å; Q266-E289 PolarHBondContact NE2-O 3.28Å
267	L	97.4	Very high	95.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.206	C	C	.	.			trans	-120.1	83.1	179.4	-64.4	174.7	0	0	0	110	I240 L247 L250 L265 Q269 L270 G290 T291	I240-L267 HydrophobicContact CG2-CD1 3.7Å; I240-L267 HydrophobicContact CG2-CD2 4.01Å; I240-L267 HydrophobicContact CG2-CG 4.34Å; L247-L267 HydrophobicContact CD2-CD1 3.95Å; L250-L267 HydrophobicContact CD2-CD1 4.01Å; L265-L267 HydrophobicContact CB-CB 4.5Å; L265-L267 HydrophobicContact CB-CD1 3.96Å; L265-L267 HydrophobicContact CB-CG 4.02Å; L265-L267 HydrophobicContact CD1-CD1 4.21Å; L267-Q269 PolarHBondContact O-N 2.88Å; L267-Q269 VanDerWaalsContact O-N 3.14Å; L267-L270 HydrophobicContact CB-CB 3.86Å; L267-L270 HydrophobicContact CB-CD2 4.47Å; L267-L270 HydrophobicContact CD1-CD1 4.19Å; L267-L270 HydrophobicContact CD1-CD2 4.19Å; L267-L270 VanDerWaalsContact O-CB 3.25Å; L267-L270 WeakPolarHBondContact O-CB 3.17Å; L267-L270 PolarHBondContact O-N 2.92Å; L267-G290 CarbonylContact C-O 3.52Å; L267-G290 PolarHBondContact N-O 3.38Å; L267-G290 VanDerWaalsContact N-O 3.07Å; L267-T291 HydrophobicContact CB-CG2 4.13Å
268	P	97.3	Very high	95.3	Very high	45 Å²	45	40.1 Å²	40.1	29%	0.292	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-21.5	-171.7	23.6	-35.5	0	0	0	114.4	F244 Q266 G290 N293	F244-P268 VanDerWaalsContact O-CD 3.23Å; F244-P268 WeakPolarHBondContact O-CD 3.33Å; F244-P268 WeakPolarHBondContact O-CG 3.49Å; Q266-P268 WeakPolarHBondContact O-CD 3.27Å; P268-G290 WeakPolarHBondContact CA-O 3.28Å; P268-N293 PolarHBondContact O-ND2 3.05Å
269	Q	97.7	Very high	95.3	Very high	76 Å²	76	42.7 Å²	42.7	36%	0.355	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-1.9	177.9	-60.8	-56.9	-51.3	0	0	113.9	S245 L247 L267 R271	S245-Q269 WeakPolarHBondContact O-CG 3.27Å; L247-Q269 CarbonylContact O-C 3.27Å; L247-Q269 VanDerWaalsContact O-C 3.24Å; L267-Q269 PolarHBondContact O-N 2.88Å; L267-Q269 VanDerWaalsContact O-N 3.14Å; Q269-R271 PolarHBondContact O-N 2.93Å
270	L	98.5	Very high	95.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.186	C	C	.	.			trans	-68	126.5	-175.1	-162.6	74	0	0	0	110.8	L247 K248 L250 L265 L267 L273 T291 N293 L294	L247-L270 HydrophobicContact CD2-CD1 4.45Å; L247-L270 HydrophobicContact CG-CD1 4.47Å; L247-L270 WeakPolarHBondContact O-CA 3.17Å; L247-L270 PolarHBondContact O-N 3.42Å; K248-L270 WeakPolarHBondContact O-CD1 3.48Å; L250-L270 HydrophobicContact CB-CD1 3.71Å; L265-L270 HydrophobicContact CD1-CD2 4.04Å; L267-L270 HydrophobicContact CB-CB 3.86Å; L267-L270 HydrophobicContact CB-CD2 4.47Å; L267-L270 HydrophobicContact CD1-CD1 4.19Å; L267-L270 HydrophobicContact CD1-CD2 4.19Å; L267-L270 VanDerWaalsContact O-CB 3.25Å; L267-L270 WeakPolarHBondContact O-CB 3.17Å; L267-L270 PolarHBondContact O-N 2.92Å; L270-L273 HydrophobicContact CD2-CB 3.97Å; L270-L273 HydrophobicContact CD2-CD1 4.36Å; L270-L273 HydrophobicContact CD2-CD2 4.38Å; L270-L273 HydrophobicContact CD2-CG 4.47Å; L270-T291 HydrophobicContact CB-CG2 4.41Å; L270-T291 HydrophobicContact CD2-CG2 4.17Å; L270-N293 CarbonylContact O-C 3.33Å; L270-N293 VanDerWaalsContact O-C 3.23Å; L270-L294 HydrophobicContact CD2-CD1 4.02Å; L270-L294 HydrophobicContact CG-CD1 4.06Å; L270-L294 WeakPolarHBondContact O-CA 3.23Å; L270-L294 PolarHBondContact O-N 2.69Å
271	R	98.7	Very high	95.1	Very high	115 Å²	115	39.7 Å²	39.7	43%	0.434	20%	0.203	S	C	.	.			trans	-110.2	-34.8	179.7	-66.8	-178	177	-92.8	-2.6	112.4	K248 Q269 L295 Y296	K248-R271 PolarHBondContact O-N 3.13Å; Q269-R271 PolarHBondContact O-N 2.93Å; R271-L295 PolarHBondContact O-N 2.65Å; R271-Y296 PolarHBondContact O-N 2.89Å
272	S	98.8	Very high	94.9	Very high	22 Å²	22	41.2 Å²	41.2	15%	0.154	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	130.8	178.7	-170.6	0	0	0	0	111.1	K248 N249 L250 Y296	K248-S272 PolarHBondContact O-N 3.48Å; N249-S272 WeakPolarHBondContact OD1-CB 3.08Å; L250-S272 PolarHBondContact N-O 3.5Å; S272-Y296 WeakPolarHBondContact CA-O 3.26Å
273	L	98.6	Very high	95	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	116.7	175.5	178	58.6	0	0	0	109.8	L250 L252 L265 L270 L275 F288 L294 Y296 L297 Y298	L250-L273 HydrophobicContact CB-CD1 4.3Å; L250-L273 HydrophobicContact CD2-CD1 4.17Å; L250-L273 HydrophobicContact CG-CD1 4.21Å; L250-L273 WeakPolarHBondContact O-CA 3.29Å; L252-L273 HydrophobicContact CD1-CD1 4.4Å; L265-L273 HydrophobicContact CD1-CD1 3.91Å; L265-L273 HydrophobicContact CD1-CD2 3.8Å; L270-L273 HydrophobicContact CD2-CB 3.97Å; L270-L273 HydrophobicContact CD2-CD1 4.36Å; L270-L273 HydrophobicContact CD2-CD2 4.38Å; L270-L273 HydrophobicContact CD2-CG 4.47Å; L273-L275 HydrophobicContact CD1-CD2 4.38Å; L273-L275 HydrophobicContact CD1-CG 4.2Å; L273-L275 HydrophobicContact CD2-CD1 3.96Å; L273-L275 HydrophobicContact CD2-CG 4.37Å; L273-L275 HydrophobicContact CG-CD1 4.18Å; L273-L275 HydrophobicContact CG-CG 4.06Å; L273-F288 HydrophobicContact CD2-CE1 4.22Å; L273-L294 HydrophobicContact CB-CD1 3.79Å; L273-L294 HydrophobicContact CB-CD2 4.37Å; L273-Y296 PolarHBondContact N-O 3.1Å; L273-L297 HydrophobicContact CB-CD1 4.32Å; L273-L297 HydrophobicContact CD2-CD1 4.28Å; L273-L297 HydrophobicContact CG-CD1 4.34Å; L273-Y298 PolarHBondContact O-N 2.89Å
274	S	98.4	Very high	95.2	Very high	8 Å²	8	39.9 Å²	39.9	6%	0.056	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	125.9	170.6	-171.5	0	0	0	0	111.3	L250 D251 L252 A253	L250-S274 PolarHBondContact O-N 3.34Å; L250-S274 VanDerWaalsContact O-N 3.07Å; D251-S274 WeakPolarHBondContact OD1-CB 3.36Å; L252-S274 CarbonylContact C-O 3.51Å; L252-S274 WeakPolarHBondContact CA-O 3.43Å; L252-S274 WeakPolarHBondContact CB-O 3.29Å; L252-S274 PolarHBondContact N-O 2.98Å; A253-S274 PolarHBondContact N-O 3.25Å
275	L	96.8	Very high	95.2	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.209	C	C	.	.			trans	-125.8	17.4	175.8	-68.3	167.8	0	0	0	110.9	L252 M260 L273 N278 I280 Y298 L299 N302	L252-L275 HydrophobicContact CB-CD2 3.93Å; L252-L275 HydrophobicContact CD1-CD2 4.01Å; M260-L275 HydrophobicContact CE-CD1 3.76Å; M260-L275 HydrophobicContact CE-CD2 4.02Å; M260-L275 HydrophobicContact CG-CD1 4.25Å; M260-L275 HydrophobicContact SD-CD1 3.78Å; M260-L275 HydrophobicContact SD-CD2 3.58Å; M260-L275 VanDerWaalsContact SD-CD2 3.58Å; M260-L275 HydrophobicContact SD-CG 4.36Å; L273-L275 HydrophobicContact CD1-CD2 4.38Å; L273-L275 HydrophobicContact CD1-CG 4.2Å; L273-L275 HydrophobicContact CD2-CD1 3.96Å; L273-L275 HydrophobicContact CD2-CG 4.37Å; L273-L275 HydrophobicContact CG-CD1 4.18Å; L273-L275 HydrophobicContact CG-CG 4.06Å; L275-N278 PolarHBondContact O-ND2 2.65Å; L275-I280 HydrophobicContact CB-CD1 4.12Å; L275-I280 HydrophobicContact CD1-CD1 4.25Å; L275-I280 HydrophobicContact CD2-CD1 4.34Å; L275-I280 HydrophobicContact CG-CD1 4.48Å; L275-Y298 PolarHBondContact N-O 3.37Å; L275-L299 HydrophobicContact CB-CD2 4.1Å; L275-L299 HydrophobicContact CD1-CD2 3.9Å; L275-N302 PolarHBondContact O-ND2 3.32Å
276	E	95.3	Very high	95.1	Very high	23 Å²	23	43.5 Å²	43.5	11%	0.107	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	151.3	-173.8	-60.5	-176.3	105.3	0	0	112.5	A253 L254 N278 Y298 S300	A253-E276 CarbonylContact C-O 3.52Å; A253-E276 WeakPolarHBondContact CA-O 3.44Å; A253-E276 HydrophobicContact CB-CB 3.98Å; A253-E276 WeakPolarHBondContact CB-O 3.23Å; L254-E276 PolarHBondContact N-O 3.33Å; E276-N278 PolarHBondContact O-N 3Å; E276-N278 PolarHBondContact O-ND2 3.21Å; E276-Y298 VanDerWaalsContact CG-CB 3.44Å; E276-S300 CarbonylContact C-O 3.45Å; E276-S300 WeakPolarHBondContact CA-O 3.17Å; E276-S300 WeakPolarHBondContact CB-O 3.11Å
277	Y	95.4	Very high	95.1	Very high	98 Å²	98	40 Å²	40	38%	0.384	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	40.9	174.1	-58.3	-78.9	0	0	0	114	L254 S300 G301 F557	L254-Y277 WeakPolarHBondContact CA-O 3.5Å; L254-Y277 VanDerWaalsContact CD2-CB 3.47Å; L254-Y277 HydrophobicContact CD2-CD2 4.29Å; L254-Y277 HydrophobicContact CD2-CG 3.98Å; Y277-S300 PolarHBondContact N-O 3.07Å; Y277-G301 WeakPolarHBondContact CA-O 3.33Å; Y277-F557 WeakPolarHBondContact OH-CZ 3.42Å
278	N	95.4	Very high	95	Very high	7 Å²	7	40.1 Å²	40.1	4%	0.037	20%	0.204	C	C	.	.	S	Bend	trans	-99.9	-163.9	168.9	-83.1	-75.3	0	0	0	110.1	L252 N255 Y256 F257 L275 E276 I280 N302	L252-N278 PolarHBondContact O-ND2 2.9Å; N255-N278 VanDerWaalsContact CA-OD1 3.27Å; N255-N278 WeakPolarHBondContact CA-OD1 3.49Å; N255-N278 VanDerWaalsContact CB-OD1 3.22Å; N255-N278 WeakPolarHBondContact CB-OD1 3.45Å; N255-N278 PolarHBondContact N-OD1 2.94Å; N255-N278 PolarHBondContact O-OD1 3.21Å; N255-N278 VanDerWaalsContact O-OD1 3.13Å; Y256-N278 PolarHBondContact N-OD1 3.2Å; F257-N278 HydrophobicContact CB-CB 4.21Å; F257-N278 WeakPolarHBondContact CD2-OD1 3.24Å; F257-N278 PolarHBondContact N-OD1 2.84Å; F257-N278 VanDerWaalsContact N-OD1 3.16Å; L275-N278 PolarHBondContact O-ND2 2.65Å; E276-N278 PolarHBondContact O-N 3Å; E276-N278 PolarHBondContact O-ND2 3.21Å; N278-I280 HydrophobicContact CB-CD1 4.31Å; N278-I280 HydrophobicContact CB-CG1 4.13Å; N278-N302 VanDerWaalsContact C-OD1 3.27Å; N278-N302 WeakPolarHBondContact CA-OD1 3.09Å; N278-N302 WeakPolarHBondContact CB-OD1 3.09Å
279	K	93.8	Very high	94.9	Very high	107 Å²	107	42.4 Å²	42.4	47%	0.465	21%	0.211	S	C	.	.			trans	-113.7	22.4	178.8	-63.7	176.6	177.1	167.2	0	111.7	Y256 F257 N281	Y256-K279 HydrophobicContact CD1-CD 4.45Å; F257-K279 CarbonylContact O-C 3.42Å; F257-K279 WeakPolarHBondContact O-CA 3.26Å; F257-K279 WeakPolarHBondContact O-CB 3.39Å; F257-K279 PolarHBondContact O-N 3.07Å; K279-N281 PolarHBondContact O-N 3.31Å
280	I	92.8	Very high	94.7	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	21%	0.206	C	C	.	.			trans	-67.7	122.6	-174.5	-56.4	168.9	0	0	0	108.5	F257 M260 L275 N278 S282 L283 N302 K303 L304	F257-I280 HydrophobicContact CB-CG1 4.28Å; F257-I280 WeakPolarHBondContact O-CG1 3.07Å; F257-I280 PolarHBondContact O-N 3.04Å; F257-I280 VanDerWaalsContact O-N 3.08Å; M260-I280 HydrophobicContact CG-CD1 3.93Å; M260-I280 HydrophobicContact SD-CD1 4.2Å; L275-I280 HydrophobicContact CB-CD1 4.12Å; L275-I280 HydrophobicContact CD1-CD1 4.25Å; L275-I280 HydrophobicContact CD2-CD1 4.34Å; L275-I280 HydrophobicContact CG-CD1 4.48Å; N278-I280 HydrophobicContact CB-CD1 4.31Å; N278-I280 HydrophobicContact CB-CG1 4.13Å; I280-S282 WeakPolarHBondContact CG2-O 3.48Å; I280-L283 HydrophobicContact CG2-CD2 3.88Å; I280-L283 HydrophobicContact CG2-CG 4.43Å; I280-N302 HydrophobicContact CB-CB 4.35Å; I280-N302 VanDerWaalsContact CB-OD1 3.3Å; I280-N302 WeakPolarHBondContact CB-OD1 3.48Å; I280-N302 WeakPolarHBondContact CG1-OD1 3.48Å; I280-N302 PolarHBondContact N-OD1 3.13Å; I280-N302 VanDerWaalsContact N-OD1 3.1Å; I280-K303 CarbonylContact O-C 3.28Å; I280-K303 PolarHBondContact O-N 2.88Å; I280-L304 HydrophobicContact CG2-CD2 3.9Å; I280-L304 PolarHBondContact O-N 2.63Å
281	N	89.9	Confident	94.7	Very high	80 Å²	80	40 Å²	40	43%	0.428	21%	0.206	S	C	.	.			trans	-108.7	-13.9	-176.2	63.9	19.3	0	0	0	114.2	K279 K303 Q305	K279-N281 PolarHBondContact O-N 3.31Å; N281-K303 WeakPolarHBondContact CA-O 3.1Å; N281-Q305 PolarHBondContact O-N 2.85Å
282	S	89	Confident	94.5	Very high	60 Å²	60	37.4 Å²	37.4	42%	0.42	20%	0.204	S	C	.	.			trans	-154.2	148.8	-179.1	55	0	0	0	0	110.4	I280	I280-S282 WeakPolarHBondContact CG2-O 3.48Å
283	L	90.6	Very high	94.5	Very high	13 Å²	13	38.8 Å²	38.8	7%	0.068	21%	0.21	C	C	.	.			trans	-125	124.2	174.1	-67.9	174.9	0	0	0	108.3	M260 I280 V287 L299 L304 L307 V311	M260-L283 HydrophobicContact CG-CD2 4.21Å; I280-L283 HydrophobicContact CG2-CD2 3.88Å; I280-L283 HydrophobicContact CG2-CG 4.43Å; L283-V287 HydrophobicContact CB-CG1 4.22Å; L283-V287 HydrophobicContact CD2-CG1 4.29Å; L283-V287 HydrophobicContact CD2-CG2 4.08Å; L283-L299 HydrophobicContact CD1-CD1 3.97Å; L283-L299 HydrophobicContact CD1-CD2 4.33Å; L283-L304 HydrophobicContact CD1-CD1 4Å; L283-L304 HydrophobicContact CD1-CD2 4.21Å; L283-L304 HydrophobicContact CG-CD2 3.86Å; L283-L307 HydrophobicContact CB-CD1 4.28Å; L283-L307 HydrophobicContact CD1-CD1 3.88Å; L283-V311 HydrophobicContact CB-CG2 3.74Å; L283-V311 HydrophobicContact CD1-CG2 4.45Å
284	L	91.6	Very high	94.5	Very high	102 Å²	102	38.8 Å²	38.8	53%	0.534	21%	0.21	S	C	.	.			trans	-77.7	153.2	175.4	-63.1	175.3	0	0	0	110.2	S286 V287	L284-S286 PolarHBondContact O-N 3Å; L284-S286 VanDerWaalsContact O-N 3.12Å; L284-V287 WeakPolarHBondContact O-CB 3.38Å; L284-V287 WeakPolarHBondContact O-CG1 3.23Å; L284-V287 PolarHBondContact O-N 3.35Å
285	V	92.7	Very high	94.5	Very high	47 Å²	47	39.2 Å²	39.2	29%	0.285	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-29.1	179.3	178.4	0	0	0	0	112.5	D308 R310 N314	V285-D308 HydrophobicContact CG2-CB 3.89Å; V285-D308 VanDerWaalsContact CG2-CG 3.45Å; V285-R310 HydrophobicContact CG1-CB 3.7Å; V285-R310 HydrophobicContact CG2-CB 4.2Å; V285-N314 PolarHBondContact O-ND2 3.45Å
286	S	93.4	Very high	94.6	Very high	34 Å²	34	43.7 Å²	43.7	24%	0.238	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	7.6	177.6	63	0	0	0	0	114.1	P263 G264 L284 F288 E289	P263-S286 CarbonylContact C-O 3.49Å; P263-S286 VanDerWaalsContact C-O 3.25Å; G264-S286 PolarHBondContact N-O 3.35Å; L284-S286 PolarHBondContact O-N 3Å; L284-S286 VanDerWaalsContact O-N 3.12Å; S286-F288 VanDerWaalsContact C-N 3.29Å; S286-F288 PolarHBondContact O-N 3.31Å; S286-E289 VanDerWaalsContact CB-OE2 3.29Å; S286-E289 WeakPolarHBondContact CB-OE2 3.38Å; S286-E289 WeakPolarHBondContact O-CB 3.46Å; S286-E289 PolarHBondContact O-N 2.98Å; S286-E289 VanDerWaalsContact O-N 3.15Å
287	V	94.6	Very high	94.7	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.018	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-30.1	-172.2	73.1	0	0	0	0	113.4	M260 G264 L283 L284 V311	M260-V287 HydrophobicContact CB-CG2 3.28Å; M260-V287 HydrophobicContact CG-CG2 3.93Å; G264-V287 WeakPolarHBondContact CA-O 3.46Å; L283-V287 HydrophobicContact CB-CG1 4.22Å; L283-V287 HydrophobicContact CD2-CG1 4.29Å; L283-V287 HydrophobicContact CD2-CG2 4.08Å; L284-V287 WeakPolarHBondContact O-CB 3.38Å; L284-V287 WeakPolarHBondContact O-CG1 3.23Å; L284-V287 PolarHBondContact O-N 3.35Å; V287-V311 HydrophobicContact CG1-CG2 3.69Å
288	F	95.6	Very high	94.8	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.009	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	16.2	175.6	-54.6	-58.8	0	0	0	112.1	L273 S286 G290 T291 L297 V311 F312 V315	L273-F288 HydrophobicContact CD2-CE1 4.22Å; S286-F288 VanDerWaalsContact C-N 3.29Å; S286-F288 PolarHBondContact O-N 3.31Å; F288-G290 PolarHBondContact O-N 3.36Å; F288-T291 PolarHBondContact O-N 2.84Å; F288-T291 PolarHBondContact O-OG1 3.42Å; F288-L297 HydrophobicContact CE1-CD1 4Å; F288-L297 HydrophobicContact CE1-CD2 4.04Å; F288-L297 HydrophobicContact CE2-CD2 3.84Å; F288-L297 HydrophobicContact CZ-CD1 4.06Å; F288-L297 HydrophobicContact CZ-CD2 3.53Å; F288-L297 HydrophobicContact CZ-CG 4.45Å; F288-V311 HydrophobicContact CD2-CG2 4.33Å; F288-V311 WeakPolarHBondContact CD2-O 3.47Å; F288-V311 HydrophobicContact CE2-CG2 4.1Å; F288-F312 HydrophobicContact CD2-CD1 4.33Å; F288-F312 AromaticContact CE2-CD1 3.99Å; F288-F312 HydrophobicContact CE2-CD1 3.99Å; F288-F312 AromaticContact CE2-CE1 3.93Å; F288-F312 HydrophobicContact CE2-CE1 3.93Å; F288-V315 HydrophobicContact CB-CG1 3.73Å; F288-V315 HydrophobicContact CD2-CG2 4.38Å; F288-V315 HydrophobicContact CG-CG1 4.29Å
289	E	94.7	Very high	94.7	Very high	92 Å²	92	40.1 Å²	40.1	43%	0.43	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	133.6	168.9	-167.2	175.2	161	0	0	108.9	P263 Q266 S286	P263-E289 HydrophobicContact CB-CB 4.28Å; P263-E289 HydrophobicContact CB-CG 4.43Å; Q266-E289 PolarHBondContact NE2-O 3.28Å; S286-E289 VanDerWaalsContact CB-OE2 3.29Å; S286-E289 WeakPolarHBondContact CB-OE2 3.38Å; S286-E289 WeakPolarHBondContact O-CB 3.46Å; S286-E289 PolarHBondContact O-N 2.98Å; S286-E289 VanDerWaalsContact O-N 3.15Å
290	G	95.1	Very high	94.7	Very high	24 Å²	24	35.4 Å²	35.4	25%	0.247	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	5.8	-176.1	0	0	0	0	0	116.1	L267 P268 F288	L267-G290 CarbonylContact C-O 3.52Å; L267-G290 PolarHBondContact N-O 3.38Å; L267-G290 VanDerWaalsContact N-O 3.07Å; P268-G290 WeakPolarHBondContact CA-O 3.28Å; F288-G290 PolarHBondContact O-N 3.36Å
291	T	96.9	Very high	94.6	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.006	20%	0.202	C	C	.	.			trans	-122.9	56.2	168.5	58.9	0	0	0	0	111.9	L265 L267 L270 F288 N293 L294 V315	L265-T291 HydrophobicContact CB-CG2 4.11Å; L267-T291 HydrophobicContact CB-CG2 4.13Å; L270-T291 HydrophobicContact CB-CG2 4.41Å; L270-T291 HydrophobicContact CD2-CG2 4.17Å; F288-T291 PolarHBondContact O-N 2.84Å; F288-T291 PolarHBondContact O-OG1 3.42Å; T291-N293 VanDerWaalsContact C-N 3.3Å; T291-N293 PolarHBondContact O-N 3.37Å; T291-L294 PolarHBondContact O-N 2.85Å; T291-V315 WeakPolarHBondContact O-CG1 3.41Å
292	P	96	Very high	94.7	Very high	62 Å²	62	32.4 Å²	32.4	40%	0.403	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-25.6	-170.2	28.5	-37	0	0	0	114.6	L294	P292-L294 VanDerWaalsContact C-N 3.27Å; P292-L294 PolarHBondContact O-N 3.11Å
293	N	97.4	Very high	94.4	Very high	50 Å²	50	36.1 Å²	36.1	27%	0.267	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	18	-175.2	-62.8	-34.6	0	0	0	113.3	P268 L270 T291 L295	P268-N293 PolarHBondContact O-ND2 3.05Å; L270-N293 CarbonylContact O-C 3.33Å; L270-N293 VanDerWaalsContact O-C 3.23Å; T291-N293 VanDerWaalsContact C-N 3.3Å; T291-N293 PolarHBondContact O-N 3.37Å; N293-L295 PolarHBondContact O-N 2.83Å
294	L	98.3	Very high	94.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.189	C	C	.	.			trans	-71.3	126.1	-177	-163.2	73.4	0	0	0	110.3	L270 L273 T291 P292 L297 V315 L318	L270-L294 HydrophobicContact CD2-CD1 4.02Å; L270-L294 HydrophobicContact CG-CD1 4.06Å; L270-L294 WeakPolarHBondContact O-CA 3.23Å; L270-L294 PolarHBondContact O-N 2.69Å; L273-L294 HydrophobicContact CB-CD1 3.79Å; L273-L294 HydrophobicContact CB-CD2 4.37Å; T291-L294 PolarHBondContact O-N 2.85Å; P292-L294 VanDerWaalsContact C-N 3.27Å; P292-L294 PolarHBondContact O-N 3.11Å; L294-L297 HydrophobicContact CD2-CB 4.02Å; L294-L297 HydrophobicContact CD2-CD1 4.17Å; L294-L297 HydrophobicContact CD2-CD2 4.33Å; L294-L297 HydrophobicContact CD2-CG 4.4Å; L294-V315 HydrophobicContact CB-CB 4.37Å; L294-V315 HydrophobicContact CB-CG1 3.75Å; L294-V315 HydrophobicContact CD2-CG1 4.09Å; L294-L318 HydrophobicContact CB-CD1 4.47Å; L294-L318 HydrophobicContact CD2-CD1 4.21Å; L294-L318 HydrophobicContact CG-CD1 4.13Å; L294-L318 WeakPolarHBondContact O-CA 3.4Å
295	L	98.8	Very high	93.5	Very high	18 Å²	18	38 Å²	38	9%	0.094	20%	0.197	C	C	.	.			trans	-110.1	-33.1	-178.6	-58.9	-178.8	0	0	0	112.3	R271 N293 E317 L318 Q319 Y320	R271-L295 PolarHBondContact O-N 2.65Å; N293-L295 PolarHBondContact O-N 2.83Å; L295-E317 HydrophobicContact CD2-CB 4.05Å; L295-E317 VanDerWaalsContact CD2-O 3.23Å; L295-E317 WeakPolarHBondContact CD2-O 3.48Å; L295-L318 WeakPolarHBondContact O-CD1 3.38Å; L295-Q319 HydrophobicContact CD2-CG 4.31Å; L295-Q319 PolarHBondContact O-N 3.4Å; L295-Y320 PolarHBondContact O-N 2.84Å
296	Y	98.8	Very high	92.8	Very high	93 Å²	93	44.1 Å²	44.1	37%	0.365	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	119.9	-176.8	-50.3	-87.3	0	0	0	110.2	R271 S272 L273 Y320	R271-Y296 PolarHBondContact O-N 2.89Å; S272-Y296 WeakPolarHBondContact CA-O 3.26Å; L273-Y296 PolarHBondContact N-O 3.1Å; Y296-Y320 HydrophobicContact CD1-CG 4.33Å
297	L	97.9	Very high	92.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	122.1	179.6	177.8	58.5	0	0	0	110.8	L273 F288 L294 L299 F312 L318 Y320 L321 S322	L273-L297 HydrophobicContact CB-CD1 4.32Å; L273-L297 HydrophobicContact CD2-CD1 4.28Å; L273-L297 HydrophobicContact CG-CD1 4.34Å; F288-L297 HydrophobicContact CE1-CD1 4Å; F288-L297 HydrophobicContact CE1-CD2 4.04Å; F288-L297 HydrophobicContact CE2-CD2 3.84Å; F288-L297 HydrophobicContact CZ-CD1 4.06Å; F288-L297 HydrophobicContact CZ-CD2 3.53Å; F288-L297 HydrophobicContact CZ-CG 4.45Å; L294-L297 HydrophobicContact CD2-CB 4.02Å; L294-L297 HydrophobicContact CD2-CD1 4.17Å; L294-L297 HydrophobicContact CD2-CD2 4.33Å; L294-L297 HydrophobicContact CD2-CG 4.4Å; L297-L299 HydrophobicContact CD1-CD1 4.48Å; L297-L299 HydrophobicContact CD1-CD2 4.27Å; L297-L299 HydrophobicContact CD1-CG 4.09Å; L297-L299 HydrophobicContact CD2-CD1 3.96Å; L297-L299 HydrophobicContact CD2-CG 4.43Å; L297-L299 HydrophobicContact CG-CD1 4.09Å; L297-L299 HydrophobicContact CG-CG 4.04Å; L297-F312 HydrophobicContact CD2-CD1 4.31Å; L297-F312 HydrophobicContact CD2-CE1 3.92Å; L297-L318 HydrophobicContact CB-CD1 3.71Å; L297-L318 HydrophobicContact CB-CD2 4.15Å; L297-L318 HydrophobicContact CD2-CD2 4.44Å; L297-Y320 PolarHBondContact N-O 3.4Å; L297-L321 HydrophobicContact CB-CD1 4.2Å; L297-L321 HydrophobicContact CD2-CD1 3.97Å; L297-L321 HydrophobicContact CG-CD1 4.07Å; L297-S322 PolarHBondContact O-N 2.69Å
298	Y	97.2	Very high	92	Very high	52 Å²	52	45.7 Å²	45.7	20%	0.204	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	114.4	-179.1	-49.4	-99.5	0	0	0	110.1	L273 L275 E276 Y320	L273-Y298 PolarHBondContact O-N 2.89Å; L275-Y298 PolarHBondContact N-O 3.37Å; E276-Y298 VanDerWaalsContact CG-CB 3.44Å; Y298-Y320 HydrophobicContact CD1-CD1 4.15Å; Y298-Y320 AromaticContact CD1-CE1 3.43Å; Y298-Y320 HydrophobicContact CD1-CE1 3.43Å; Y298-Y320 VanDerWaalsContact CD1-CE1 3.43Å; Y298-Y320 AromaticContact CE1-CD1 3.69Å; Y298-Y320 HydrophobicContact CE1-CD1 3.69Å; Y298-Y320 AromaticContact CE1-CE1 3.16Å; Y298-Y320 HydrophobicContact CE1-CE1 3.16Å; Y298-Y320 AromaticContact CE1-CZ 3.84Å; Y298-Y320 HydrophobicContact CG-CE1 4.33Å; Y298-Y320 AromaticContact CZ-CD1 3.94Å; Y298-Y320 AromaticContact CZ-CE1 3.9Å
299	L	94.5	Very high	91.5	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.01	23%	0.233	C	C	.	.			trans	-121	3.7	-177.4	-68.1	168.4	0	0	0	113.3	L275 L283 L297 N302 F312 L321 S322 L323	L275-L299 HydrophobicContact CB-CD2 4.1Å; L275-L299 HydrophobicContact CD1-CD2 3.9Å; L283-L299 HydrophobicContact CD1-CD1 3.97Å; L283-L299 HydrophobicContact CD1-CD2 4.33Å; L297-L299 HydrophobicContact CD1-CD1 4.48Å; L297-L299 HydrophobicContact CD1-CD2 4.27Å; L297-L299 HydrophobicContact CD1-CG 4.09Å; L297-L299 HydrophobicContact CD2-CD1 3.96Å; L297-L299 HydrophobicContact CD2-CG 4.43Å; L297-L299 HydrophobicContact CG-CD1 4.09Å; L297-L299 HydrophobicContact CG-CG 4.04Å; L299-N302 WeakPolarHBondContact O-CB 3.3Å; L299-N302 PolarHBondContact O-ND2 3.43Å; L299-F312 HydrophobicContact CD1-CE1 4.25Å; L299-F312 HydrophobicContact CD1-CZ 4.42Å; L299-L321 HydrophobicContact CD1-CD1 4.43Å; L299-S322 WeakPolarHBondContact CA-O 3.06Å; L299-S322 WeakPolarHBondContact CB-O 3.31Å; L299-S322 PolarHBondContact N-O 2.98Å; L299-L323 HydrophobicContact CB-CD2 4.3Å; L299-L323 HydrophobicContact CD1-CD2 3.82Å
300	S	92.3	Very high	91.4	Very high	7 Å²	7	49.1 Å²	49.1	5%	0.049	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	146.8	-176.4	-69.4	0	0	0	0	114.4	E276 Y277 N302 S322 G324	E276-S300 CarbonylContact C-O 3.45Å; E276-S300 WeakPolarHBondContact CA-O 3.17Å; E276-S300 WeakPolarHBondContact CB-O 3.11Å; Y277-S300 PolarHBondContact N-O 3.07Å; S300-N302 VanDerWaalsContact C-N 3.27Å; S300-N302 PolarHBondContact O-N 3.06Å; S300-S322 PolarHBondContact OG-OG 3.06Å; S300-G324 WeakPolarHBondContact CA-O 3.3Å; S300-G324 VanDerWaalsContact OG-CA 3.29Å; S300-G324 WeakPolarHBondContact OG-CA 3.03Å; S300-G324 PolarHBondContact OG-N 2.93Å
301	G	91.1	Very high	91.2	Very high	17 Å²	17	48 Å²	48	18%	0.175	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	17.4	179.1	0	0	0	0	0	114.2	Y277 G324	Y277-G301 WeakPolarHBondContact CA-O 3.33Å; G301-G324 PolarHBondContact N-O 3.14Å
302	N	91.7	Very high	91.1	Very high	1 Å²	1	48 Å²	48	1%	0.005	23%	0.226	C	C	.	.			trans	-88.2	-174.7	167.9	-80.2	-75.1	0	0	0	110.8	L275 N278 I280 L299 S300 L304	L275-N302 PolarHBondContact O-ND2 3.32Å; N278-N302 VanDerWaalsContact C-OD1 3.27Å; N278-N302 WeakPolarHBondContact CA-OD1 3.09Å; N278-N302 WeakPolarHBondContact CB-OD1 3.09Å; I280-N302 HydrophobicContact CB-CB 4.35Å; I280-N302 VanDerWaalsContact CB-OD1 3.3Å; I280-N302 WeakPolarHBondContact CB-OD1 3.48Å; I280-N302 WeakPolarHBondContact CG1-OD1 3.48Å; I280-N302 PolarHBondContact N-OD1 3.13Å; I280-N302 VanDerWaalsContact N-OD1 3.1Å; L299-N302 WeakPolarHBondContact O-CB 3.3Å; L299-N302 PolarHBondContact O-ND2 3.43Å; S300-N302 VanDerWaalsContact C-N 3.27Å; S300-N302 PolarHBondContact O-N 3.06Å; N302-L304 HydrophobicContact CB-CG 4.38Å
303	K	83.8	Confident	91.1	Very high	138 Å²	138	46.2 Å²	46.2	60%	0.6	21%	0.214	S	C	*	.			trans	-123	38.9	-178.8	-62	-170.3	178.6	-173	0	112	I280 N281 Q305	I280-K303 CarbonylContact O-C 3.28Å; I280-K303 PolarHBondContact O-N 2.88Å; N281-K303 WeakPolarHBondContact CA-O 3.1Å; K303-Q305 PolarHBondContact O-N 3.17Å
304	L	83.5	Confident	91	Very high	6 Å²	6	47 Å²	47	3%	0.031	22%	0.219	C	C	.	.			trans	-58.3	134.4	179.2	-60.5	176	0	0	0	108.6	I280 L283 N302 L307 F326 G327	I280-L304 HydrophobicContact CG2-CD2 3.9Å; I280-L304 PolarHBondContact O-N 2.63Å; L283-L304 HydrophobicContact CD1-CD1 4Å; L283-L304 HydrophobicContact CD1-CD2 4.21Å; L283-L304 HydrophobicContact CG-CD2 3.86Å; N302-L304 HydrophobicContact CB-CG 4.38Å; L304-L307 HydrophobicContact CD1-CD1 4.5Å; L304-F326 CarbonylContact C-O 3.59Å; L304-F326 HydrophobicContact CB-CB 3.91Å; L304-F326 HydrophobicContact CD1-CB 4.28Å; L304-F326 CarbonylContact O-C 3.46Å; L304-G327 PolarHBondContact O-N 2.56Å
305	Q	78.8	Confident	90.9	Very high	149 Å²	149	47 Å²	47	70%	0.696	22%	0.219	S	C	*	.			trans	-104.3	-29.8	176.5	-65.7	-175.7	3.3	0	0	112.2	N281 K303	N281-Q305 PolarHBondContact O-N 2.85Å; K303-Q305 PolarHBondContact O-N 3.17Å
306	K	77.9	Confident	90.7	Very high	175 Å²	175	53.5 Å²	53.5	76%	0.761	24%	0.242	S	C	*	.			trans	-148.5	148.2	-179	-65.1	-174.7	-179.1	179.1	0	108.8
307	L	83.3	Confident	90.6	Very high	19 Å²	19	53.6 Å²	53.6	10%	0.099	25%	0.246	C	C	.	.			trans	-125.7	122.9	175.2	-158.6	65.6	0	0	0	108.4	L283 L304 V311 F312 M335	L283-L307 HydrophobicContact CB-CD1 4.28Å; L283-L307 HydrophobicContact CD1-CD1 3.88Å; L304-L307 HydrophobicContact CD1-CD1 4.5Å; L307-V311 HydrophobicContact CD1-CB 4.47Å; L307-V311 HydrophobicContact CD1-CG1 3.77Å; L307-V311 HydrophobicContact CD2-CG1 4.15Å; L307-V311 HydrophobicContact CG-CG1 3.73Å; L307-F312 HydrophobicContact CD2-CD2 4.49Å; L307-F312 HydrophobicContact CD2-CE2 3.42Å; L307-F312 VanDerWaalsContact CD2-CE2 3.42Å; L307-F312 HydrophobicContact CD2-CZ 3.65Å; L307-F312 HydrophobicContact CG-CE2 4.39Å; L307-M335 HydrophobicContact CB-SD 3.97Å; L307-M335 HydrophobicContact CD2-CG 3.83Å; L307-M335 HydrophobicContact CD2-SD 3.7Å; L307-M335 HydrophobicContact CG-SD 4.45Å
308	D	87.4	Confident	90.6	Very high	51 Å²	51	53.6 Å²	53.6	27%	0.273	25%	0.246	S	C	.	.			trans	-68.9	129.9	171.1	-173	-58.4	0	0	0	108	V285 R310 V311	V285-D308 HydrophobicContact CG2-CB 3.89Å; V285-D308 VanDerWaalsContact CG2-CG 3.45Å; D308-R310 PolarHBondContact O-N 3.28Å; D308-R310 VanDerWaalsContact OD1-CB 3.27Å; D308-R310 WeakPolarHBondContact OD1-CB 3.25Å; D308-R310 IonicContact OD1-CZ 2.81Å; D308-R310 PolarHBondContact OD1-N 3.16Å; D308-R310 IonicContact OD1-NE 3.76Å; D308-R310 PolarHBondContact OD1-NE 3.01Å; D308-R310 IonicContact OD1-NH2 3.63Å; D308-R310 IonicContact OD2-CZ 2.64Å; D308-R310 IonicContact OD2-NE 3.07Å; D308-R310 IonicContact OD2-NH2 2.69Å; D308-R310 PolarHBondContact OD2-NH2 3.15Å; D308-V311 WeakPolarHBondContact O-CB 3.3Å; D308-V311 WeakPolarHBondContact O-CG1 3.3Å; D308-V311 PolarHBondContact O-N 2.74Å
309	P	85.8	Confident	90.7	Very high	27 Å²	27	55.1 Å²	55.1	18%	0.175	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52	-21.4	177.7	-30.9	37.8	0	0	0	115.1	E334	P309-E334 HydrophobicContact CB-CB 3.81Å; P309-E334 WeakPolarHBondContact CB-O 3.42Å; P309-E334 HydrophobicContact CG-CB 3.78Å
310	R	92.6	Very high	90.9	Very high	140 Å²	140	56.4 Å²	56.4	53%	0.528	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-6.9	-177.7	-60.1	167.9	-65.7	174.5	1.3	114.3	V285 D308 F312 C313	V285-R310 HydrophobicContact CG1-CB 3.7Å; V285-R310 HydrophobicContact CG2-CB 4.2Å; D308-R310 PolarHBondContact O-N 3.28Å; D308-R310 VanDerWaalsContact OD1-CB 3.27Å; D308-R310 WeakPolarHBondContact OD1-CB 3.25Å; D308-R310 IonicContact OD1-CZ 2.81Å; D308-R310 PolarHBondContact OD1-N 3.16Å; D308-R310 IonicContact OD1-NE 3.76Å; D308-R310 PolarHBondContact OD1-NE 3.01Å; D308-R310 IonicContact OD1-NH2 3.63Å; D308-R310 IonicContact OD2-CZ 2.64Å; D308-R310 IonicContact OD2-NE 3.07Å; D308-R310 IonicContact OD2-NH2 2.69Å; D308-R310 PolarHBondContact OD2-NH2 3.15Å; R310-F312 PolarHBondContact O-N 2.81Å; R310-F312 VanDerWaalsContact O-N 3.16Å; R310-C313 WeakPolarHBondContact CA-SG 3.48Å; R310-C313 WeakPolarHBondContact O-CB 3.25Å; R310-C313 PolarHBondContact O-N 3.09Å
311	V	91.9	Very high	91.1	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-35.9	-175.1	74.6	0	0	0	0	112.5	L283 V287 F288 L307 D308	L283-V311 HydrophobicContact CB-CG2 3.74Å; L283-V311 HydrophobicContact CD1-CG2 4.45Å; V287-V311 HydrophobicContact CG1-CG2 3.69Å; F288-V311 HydrophobicContact CD2-CG2 4.33Å; F288-V311 WeakPolarHBondContact CD2-O 3.47Å; F288-V311 HydrophobicContact CE2-CG2 4.1Å; L307-V311 HydrophobicContact CD1-CB 4.47Å; L307-V311 HydrophobicContact CD1-CG1 3.77Å; L307-V311 HydrophobicContact CD2-CG1 4.15Å; L307-V311 HydrophobicContact CG-CG1 3.73Å; D308-V311 WeakPolarHBondContact O-CB 3.3Å; D308-V311 WeakPolarHBondContact O-CG1 3.3Å; D308-V311 PolarHBondContact O-N 2.74Å
312	F	94.3	Very high	91.3	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	0.3	-178.3	-56.3	-54.5	0	0	0	114	F288 L297 L299 L307 R310 N314 V315 L321 L323 L336 L339	F288-F312 HydrophobicContact CD2-CD1 4.33Å; F288-F312 AromaticContact CE2-CD1 3.99Å; F288-F312 HydrophobicContact CE2-CD1 3.99Å; F288-F312 AromaticContact CE2-CE1 3.93Å; F288-F312 HydrophobicContact CE2-CE1 3.93Å; L297-F312 HydrophobicContact CD2-CD1 4.31Å; L297-F312 HydrophobicContact CD2-CE1 3.92Å; L299-F312 HydrophobicContact CD1-CE1 4.25Å; L299-F312 HydrophobicContact CD1-CZ 4.42Å; L307-F312 HydrophobicContact CD2-CD2 4.49Å; L307-F312 HydrophobicContact CD2-CE2 3.42Å; L307-F312 VanDerWaalsContact CD2-CE2 3.42Å; L307-F312 HydrophobicContact CD2-CZ 3.65Å; L307-F312 HydrophobicContact CG-CE2 4.39Å; R310-F312 PolarHBondContact O-N 2.81Å; R310-F312 VanDerWaalsContact O-N 3.16Å; F312-N314 PolarHBondContact O-N 2.97Å; F312-N314 VanDerWaalsContact O-N 3.13Å; F312-V315 HydrophobicContact CB-CG2 4.1Å; F312-V315 HydrophobicContact CD1-CG2 4.25Å; F312-V315 CarbonylContact O-C 3.33Å; F312-V315 VanDerWaalsContact O-CG2 3.31Å; F312-V315 WeakPolarHBondContact O-CG2 3.47Å; F312-V315 PolarHBondContact O-N 3.38Å; F312-L321 HydrophobicContact CE1-CD1 4.22Å; F312-L321 HydrophobicContact CE1-CD2 4.49Å; F312-L321 HydrophobicContact CE2-CD2 4.04Å; F312-L321 HydrophobicContact CZ-CD1 4.24Å; F312-L321 HydrophobicContact CZ-CD2 4.03Å; F312-L323 HydrophobicContact CZ-CD2 4.07Å; F312-L336 HydrophobicContact CD2-CD2 4.39Å; F312-L336 HydrophobicContact CE2-CD2 4.17Å; F312-L339 HydrophobicContact CB-CD1 4.17Å; F312-L339 HydrophobicContact CB-CD2 3.73Å; F312-L339 HydrophobicContact CB-CG 3.94Å; F312-L339 HydrophobicContact CD2-CD1 4.01Å; F312-L339 HydrophobicContact CG-CD1 4.15Å; F312-L339 HydrophobicContact CG-CD2 4.43Å; F312-L339 HydrophobicContact CG-CG 4.47Å
313	C	95.3	Very high	91.2	Very high	25 Å²	25	55.5 Å²	55.5	17%	0.169	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-14.4	-176.2	-62.3	0	0	0	0	114.9	R310 R316 C338	R310-C313 WeakPolarHBondContact CA-SG 3.48Å; R310-C313 WeakPolarHBondContact O-CB 3.25Å; R310-C313 PolarHBondContact O-N 3.09Å; C313-R316 WeakPolarHBondContact O-CG 3.48Å; C313-R316 PolarHBondContact O-NE 3.02Å; C313-R316 VanDerWaalsContact O-NE 3.13Å; C313-C338 VanDerWaalsContact CA-SG 3.55Å; C313-C338 HydrophobicContact CB-CB 3.83Å; C313-C338 WeakPolarHBondContact CB-SG 3.42Å; C313-C338 WeakPolarHBondContact SG-CB 3.36Å; C313-C338 CovalentContact SG-SG 2.03Å; C313-C338 PolarHBondContact SG-SG 2.98Å
314	N	95	Very high	90.5	Very high	67 Å²	67	49 Å²	49	36%	0.358	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-6.1	173.8	-69	-36.7	0	0	0	113.5	V285 F312	V285-N314 PolarHBondContact O-ND2 3.45Å; F312-N314 PolarHBondContact O-N 2.97Å; F312-N314 VanDerWaalsContact O-N 3.13Å
315	V	96.4	Very high	90.1	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	24%	0.242	C	C	.	.			trans	-126.7	59	-178.5	-70.7	0	0	0	0	110.5	F288 T291 L294 F312 E317 L318 L339	F288-V315 HydrophobicContact CB-CG1 3.73Å; F288-V315 HydrophobicContact CD2-CG2 4.38Å; F288-V315 HydrophobicContact CG-CG1 4.29Å; T291-V315 WeakPolarHBondContact O-CG1 3.41Å; L294-V315 HydrophobicContact CB-CB 4.37Å; L294-V315 HydrophobicContact CB-CG1 3.75Å; L294-V315 HydrophobicContact CD2-CG1 4.09Å; F312-V315 HydrophobicContact CB-CG2 4.1Å; F312-V315 HydrophobicContact CD1-CG2 4.25Å; F312-V315 CarbonylContact O-C 3.33Å; F312-V315 VanDerWaalsContact O-CG2 3.31Å; F312-V315 WeakPolarHBondContact O-CG2 3.47Å; F312-V315 PolarHBondContact O-N 3.38Å; V315-E317 VanDerWaalsContact C-N 3.29Å; V315-E317 PolarHBondContact O-N 3Å; V315-L318 VanDerWaalsContact O-CB 3.29Å; V315-L318 WeakPolarHBondContact O-CB 3.41Å; V315-L318 PolarHBondContact O-N 2.92Å; V315-L339 WeakPolarHBondContact O-CD2 3.41Å
316	R	95.8	Very high	89.6	Confident	155 Å²	155	45.7 Å²	45.7	59%	0.585	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-22.3	-171.5	-61.9	-175.1	177.9	-169.1	-5.3	114.2	C313 L318	C313-R316 WeakPolarHBondContact O-CG 3.48Å; C313-R316 PolarHBondContact O-NE 3.02Å; C313-R316 VanDerWaalsContact O-NE 3.13Å; R316-L318 PolarHBondContact O-N 3.01Å
317	E	96.7	Very high	89.1	Confident	95 Å²	95	40 Å²	40	44%	0.444	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	5.4	178.1	-60.1	-176.3	-174.2	0	0	112.7	L295 V315 Q319	L295-E317 HydrophobicContact CD2-CB 4.05Å; L295-E317 VanDerWaalsContact CD2-O 3.23Å; L295-E317 WeakPolarHBondContact CD2-O 3.48Å; V315-E317 VanDerWaalsContact C-N 3.29Å; V315-E317 PolarHBondContact O-N 3Å; E317-Q319 PolarHBondContact O-N 2.84Å
318	L	98.2	Very high	88.6	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.206	C	C	.	.			trans	-60.7	124.8	-176.4	-164.6	76.4	0	0	0	110.6	L294 L295 L297 V315 R316 L321 L339 D341 L342	L294-L318 HydrophobicContact CB-CD1 4.47Å; L294-L318 HydrophobicContact CD2-CD1 4.21Å; L294-L318 HydrophobicContact CG-CD1 4.13Å; L294-L318 WeakPolarHBondContact O-CA 3.4Å; L295-L318 WeakPolarHBondContact O-CD1 3.38Å; L297-L318 HydrophobicContact CB-CD1 3.71Å; L297-L318 HydrophobicContact CB-CD2 4.15Å; L297-L318 HydrophobicContact CD2-CD2 4.44Å; V315-L318 VanDerWaalsContact O-CB 3.29Å; V315-L318 WeakPolarHBondContact O-CB 3.41Å; V315-L318 PolarHBondContact O-N 2.92Å; R316-L318 PolarHBondContact O-N 3.01Å; L318-L321 HydrophobicContact CD2-CB 3.83Å; L318-L321 HydrophobicContact CD2-CD1 4.05Å; L318-L321 HydrophobicContact CD2-CD2 4.42Å; L318-L321 HydrophobicContact CD2-CG 4.31Å; L318-L339 HydrophobicContact CB-CD2 3.87Å; L318-L339 HydrophobicContact CD2-CD1 4.44Å; L318-L339 HydrophobicContact CD2-CD2 4.03Å; L318-D341 CarbonylContact O-C 3.39Å; L318-L342 HydrophobicContact CD2-CD1 4.22Å; L318-L342 HydrophobicContact CG-CD1 4.28Å; L318-L342 WeakPolarHBondContact O-CA 3.49Å; L318-L342 PolarHBondContact O-N 3.13Å
319	Q	98.6	Very high	88.5	Confident	84 Å²	84	43.8 Å²	43.8	39%	0.393	22%	0.217	S	C	.	.			trans	-100.7	-32.1	-177.9	-64	-178.1	-2.8	0	0	112.2	L295 E317 S343 R344	L295-Q319 HydrophobicContact CD2-CG 4.31Å; L295-Q319 PolarHBondContact O-N 3.4Å; E317-Q319 PolarHBondContact O-N 2.84Å; Q319-S343 PolarHBondContact O-N 3.33Å; Q319-R344 PolarHBondContact O-N 2.93Å
320	Y	98.6	Very high	88.6	Confident	29 Å²	29	49.6 Å²	49.6	11%	0.114	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	127.6	179.5	-179.4	-83.5	0	0	0	110.8	L295 Y296 L297 Y298 R344	L295-Y320 PolarHBondContact O-N 2.84Å; Y296-Y320 HydrophobicContact CD1-CG 4.33Å; L297-Y320 PolarHBondContact N-O 3.4Å; Y298-Y320 HydrophobicContact CD1-CD1 4.15Å; Y298-Y320 AromaticContact CD1-CE1 3.43Å; Y298-Y320 HydrophobicContact CD1-CE1 3.43Å; Y298-Y320 VanDerWaalsContact CD1-CE1 3.43Å; Y298-Y320 AromaticContact CE1-CD1 3.69Å; Y298-Y320 HydrophobicContact CE1-CD1 3.69Å; Y298-Y320 AromaticContact CE1-CE1 3.16Å; Y298-Y320 HydrophobicContact CE1-CE1 3.16Å; Y298-Y320 AromaticContact CE1-CZ 3.84Å; Y298-Y320 HydrophobicContact CG-CE1 4.33Å; Y298-Y320 AromaticContact CZ-CD1 3.94Å; Y298-Y320 AromaticContact CZ-CE1 3.9Å; Y320-R344 WeakPolarHBondContact CA-O 3.07Å; Y320-R344 HydrophobicContact CD2-CB 3.76Å; Y320-R344 HydrophobicContact CD2-CG 3.6Å; Y320-R344 HydrophobicContact CE2-CB 4.37Å; Y320-R344 HydrophobicContact CE2-CG 3.69Å
321	L	96.7	Very high	88.5	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	123.1	174.7	178.9	59	0	0	0	110.2	L297 L299 F312 L318 L323 L336 L339 L342 R344 L345 D346	L297-L321 HydrophobicContact CB-CD1 4.2Å; L297-L321 HydrophobicContact CD2-CD1 3.97Å; L297-L321 HydrophobicContact CG-CD1 4.07Å; L299-L321 HydrophobicContact CD1-CD1 4.43Å; F312-L321 HydrophobicContact CE1-CD1 4.22Å; F312-L321 HydrophobicContact CE1-CD2 4.49Å; F312-L321 HydrophobicContact CE2-CD2 4.04Å; F312-L321 HydrophobicContact CZ-CD1 4.24Å; F312-L321 HydrophobicContact CZ-CD2 4.03Å; L318-L321 HydrophobicContact CD2-CB 3.83Å; L318-L321 HydrophobicContact CD2-CD1 4.05Å; L318-L321 HydrophobicContact CD2-CD2 4.42Å; L318-L321 HydrophobicContact CD2-CG 4.31Å; L321-L323 HydrophobicContact CD1-CD2 3.92Å; L321-L323 HydrophobicContact CD1-CG 4.13Å; L321-L323 HydrophobicContact CD2-CD1 3.9Å; L321-L323 HydrophobicContact CD2-CD2 4.37Å; L321-L323 HydrophobicContact CD2-CG 4.03Å; L321-L323 HydrophobicContact CG-CD1 4.29Å; L321-L323 HydrophobicContact CG-CD2 4.22Å; L321-L323 HydrophobicContact CG-CG 3.87Å; L321-L336 HydrophobicContact CD2-CD2 3.91Å; L321-L339 HydrophobicContact CD2-CD1 3.67Å; L321-L342 HydrophobicContact CB-CD1 3.69Å; L321-L342 HydrophobicContact CB-CD2 4.31Å; L321-R344 PolarHBondContact N-O 3.23Å; L321-L345 HydrophobicContact CB-CD1 4.34Å; L321-L345 HydrophobicContact CD2-CD1 4.27Å; L321-L345 HydrophobicContact CG-CD1 4.33Å; L321-D346 PolarHBondContact O-N 2.93Å
322	S	94.9	Very high	88.2	Confident	4 Å²	4	45.4 Å²	45.4	3%	0.028	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	118.3	170	-172.2	0	0	0	0	110.8	L297 L299 S300 D346	L297-S322 PolarHBondContact O-N 2.69Å; L299-S322 WeakPolarHBondContact CA-O 3.06Å; L299-S322 WeakPolarHBondContact CB-O 3.31Å; L299-S322 PolarHBondContact N-O 2.98Å; S300-S322 PolarHBondContact OG-OG 3.06Å; S322-D346 CarbonylContact C-O 3.51Å; S322-D346 VanDerWaalsContact CA-O 3.31Å; S322-D346 WeakPolarHBondContact CA-O 3.27Å
323	L	89.5	Confident	87.7	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.005	24%	0.238	C	C	.	.			trans	-119.8	91.6	176.9	-61.7	175	0	0	0	108.6	L299 F312 L321 F326 L336 D346 I347 S350	L299-L323 HydrophobicContact CB-CD2 4.3Å; L299-L323 HydrophobicContact CD1-CD2 3.82Å; F312-L323 HydrophobicContact CZ-CD2 4.07Å; L321-L323 HydrophobicContact CD1-CD2 3.92Å; L321-L323 HydrophobicContact CD1-CG 4.13Å; L321-L323 HydrophobicContact CD2-CD1 3.9Å; L321-L323 HydrophobicContact CD2-CD2 4.37Å; L321-L323 HydrophobicContact CD2-CG 4.03Å; L321-L323 HydrophobicContact CG-CD1 4.29Å; L321-L323 HydrophobicContact CG-CD2 4.22Å; L321-L323 HydrophobicContact CG-CG 3.87Å; L323-F326 HydrophobicContact CB-CD1 3.84Å; L323-F326 HydrophobicContact CB-CE1 3.88Å; L323-F326 VanDerWaalsContact O-CD1 3.3Å; L323-F326 WeakPolarHBondContact O-CD1 3.45Å; L323-F326 VanDerWaalsContact O-CE1 3.24Å; L323-F326 WeakPolarHBondContact O-CE1 3.16Å; L323-L336 HydrophobicContact CD1-CD2 4.23Å; L323-D346 PolarHBondContact N-O 3.21Å; L323-I347 HydrophobicContact CB-CG1 4.05Å; L323-I347 WeakPolarHBondContact O-CA 3.28Å; L323-S350 PolarHBondContact O-OG 2.74Å
324	G	70.3	Confident	87.4	Confident	3 Å²	3	51.4 Å²	51.4	3%	0.031	25%	0.254	C	S	.	.			trans	-111.7	142	177.4	0	0	0	0	0	112.3	S300 G301 F326 T348 S350	S300-G324 WeakPolarHBondContact CA-O 3.3Å; S300-G324 VanDerWaalsContact OG-CA 3.29Å; S300-G324 WeakPolarHBondContact OG-CA 3.03Å; S300-G324 PolarHBondContact OG-N 2.93Å; G301-G324 PolarHBondContact N-O 3.14Å; G324-F326 VanDerWaalsContact C-N 3.27Å; G324-F326 PolarHBondContact O-N 2.8Å; G324-T348 WeakPolarHBondContact CA-O 3.36Å; G324-S350 VanDerWaalsContact CA-OG 3.26Å; G324-S350 WeakPolarHBondContact CA-OG 3.24Å
325	D	73.1	Confident	87	Confident	78 Å²	78	48.4 Å²	48.4	42%	0.417	24%	0.238	S	C	.	.	S	Bend	trans	55.9	34	177.5	-161.6	16.5	0	0	0	114.6	G327 S350	D325-G327 PolarHBondContact O-N 3.45Å; D325-S350 PolarHBondContact N-OG 2.9Å
326	F	68.3	Low	86.8	Confident	6 Å²	6	48.4 Å²	48.4	3%	0.026	24%	0.238	C	C	.	.			trans	-86.6	22.9	-176.8	64.2	-81.1	0	0	0	113.6	L304 L323 G324 V328 M335 I347 S350	L304-F326 CarbonylContact C-O 3.59Å; L304-F326 HydrophobicContact CB-CB 3.91Å; L304-F326 HydrophobicContact CD1-CB 4.28Å; L304-F326 CarbonylContact O-C 3.46Å; L323-F326 HydrophobicContact CB-CD1 3.84Å; L323-F326 HydrophobicContact CB-CE1 3.88Å; L323-F326 VanDerWaalsContact O-CD1 3.3Å; L323-F326 WeakPolarHBondContact O-CD1 3.45Å; L323-F326 VanDerWaalsContact O-CE1 3.24Å; L323-F326 WeakPolarHBondContact O-CE1 3.16Å; G324-F326 VanDerWaalsContact C-N 3.27Å; G324-F326 PolarHBondContact O-N 2.8Å; F326-V328 HydrophobicContact CD2-CB 3.49Å; F326-V328 VanDerWaalsContact CD2-CB 3.49Å; F326-V328 HydrophobicContact CD2-CG1 4.4Å; F326-V328 HydrophobicContact CD2-CG2 3.78Å; F326-V328 HydrophobicContact CE2-CB 3.44Å; F326-V328 VanDerWaalsContact CE2-CB 3.44Å; F326-V328 HydrophobicContact CE2-CG1 3.92Å; F326-V328 HydrophobicContact CE2-CG2 4.14Å; F326-V328 WeakPolarHBondContact O-CG2 3.35Å; F326-V328 PolarHBondContact O-N 3.44Å; F326-M335 HydrophobicContact CE2-CE 4.17Å; F326-I347 HydrophobicContact CE1-CG1 4.31Å; F326-I347 HydrophobicContact CE1-CG2 3.58Å; F326-I347 HydrophobicContact CZ-CG2 4Å; F326-S350 WeakPolarHBondContact CE1-OG 3.29Å
327	G	67.6	Low	86.6	Confident	57 Å²	57	45.3 Å²	45.3	59%	0.588	23%	0.23	S	C	*	.			trans	60.7	-1	170.9	0	0	0	0	0	117	L304 D325	L304-G327 PolarHBondContact O-N 2.56Å; D325-G327 PolarHBondContact O-N 3.45Å
328	V	73.7	Confident	86.6	Confident	30 Å²	30	41.7 Å²	41.7	18%	0.182	22%	0.215	C	C	.	.			trans	-100	119.1	-172.4	169.4	0	0	0	0	109.6	F326 R330	F326-V328 HydrophobicContact CD2-CB 3.49Å; F326-V328 VanDerWaalsContact CD2-CB 3.49Å; F326-V328 HydrophobicContact CD2-CG1 4.4Å; F326-V328 HydrophobicContact CD2-CG2 3.78Å; F326-V328 HydrophobicContact CE2-CB 3.44Å; F326-V328 VanDerWaalsContact CE2-CB 3.44Å; F326-V328 HydrophobicContact CE2-CG1 3.92Å; F326-V328 HydrophobicContact CE2-CG2 4.14Å; F326-V328 WeakPolarHBondContact O-CG2 3.35Å; F326-V328 PolarHBondContact O-N 3.44Å; V328-R330 WeakPolarHBondContact CG1-O 3.18Å; V328-R330 PolarHBondContact O-N 3.33Å
329	K	85.3	Confident	86.5	Confident	119 Å²	119	41.7 Å²	41.7	52%	0.517	22%	0.215	S	C	.	.	S	Bend	trans	-74.5	-9.5	178.5	-64.4	177.3	166.7	-132.6	0	113.9	E353 N354	K329-E353 HydrophobicContact CB-CG 4.34Å; K329-E353 WeakPolarHBondContact CD-OE1 3.26Å; K329-E353 WeakPolarHBondContact CE-OE1 3.27Å; K329-E353 IonicContact NZ-OE1 2.77Å; K329-E353 PolarHBondContact NZ-OE1 2.97Å; K329-E353 PolarHBondContact O-N 3.06Å; K329-N354 PolarHBondContact O-N 3.1Å
330	R	87.5	Confident	86.3	Confident	148 Å²	148	40.2 Å²	40.2	56%	0.558	21%	0.213	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-140.7	123.7	-172.8	-57.9	-171.2	179.5	133.9	1.8	112.9	V328 N332 N354	V328-R330 WeakPolarHBondContact CG1-O 3.18Å; V328-R330 PolarHBondContact O-N 3.33Å; R330-N332 PolarHBondContact O-N 3.06Å; R330-N354 WeakPolarHBondContact CA-O 3.44Å; R330-N354 HydrophobicContact CG-CB 4.21Å
331	L	89.7	Confident	86.2	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	102.4	168.8	179.4	61.7	0	0	0	108	M335 L336 I347 L352 N354 I355 E356 A359 L360	L331-M335 HydrophobicContact CB-CE 4.39Å; L331-M335 HydrophobicContact CD1-CE 3.26Å; L331-M335 HydrophobicContact CG-CE 4.33Å; L331-L336 HydrophobicContact CD1-CD1 3.9Å; L331-L336 HydrophobicContact CD1-CG 4.18Å; L331-I347 HydrophobicContact CD1-CD1 4.29Å; L331-I347 HydrophobicContact CD2-CD1 4.12Å; L331-L352 HydrophobicContact CB-CD1 4.16Å; L331-N354 PolarHBondContact N-O 3.23Å; L331-I355 HydrophobicContact CB-CG1 4.38Å; L331-I355 HydrophobicContact CD2-CG1 4.37Å; L331-I355 HydrophobicContact CD2-CG2 4.18Å; L331-E356 WeakPolarHBondContact O-CB 3.32Å; L331-E356 PolarHBondContact O-N 3.42Å; L331-A359 HydrophobicContact CG-CB 4.08Å; L331-L360 HydrophobicContact CD2-CD2 3.71Å; L331-L360 HydrophobicContact CD2-CG 4.41Å
332	N	86.5	Confident	86.3	Confident	52 Å²	52	42.2 Å²	42.2	28%	0.278	23%	0.226	S	C	.	.			trans	-82.5	163.5	-176	75	33.6	0	0	0	113	R330 E334 M335 E356 A359	R330-N332 PolarHBondContact O-N 3.06Å; N332-E334 PolarHBondContact O-N 3.48Å; N332-E334 PolarHBondContact OD1-N 3.04Å; N332-M335 WeakPolarHBondContact OD1-CA 3.24Å; N332-M335 WeakPolarHBondContact OD1-CB 3.3Å; N332-M335 PolarHBondContact OD1-N 3.34Å; N332-E356 WeakPolarHBondContact CA-OE2 3.42Å; N332-E356 VanDerWaalsContact CB-OE2 3.29Å; N332-E356 WeakPolarHBondContact CB-OE2 3.45Å; N332-A359 WeakPolarHBondContact O-CB 3.22Å
333	S	84.6	Confident	86.4	Confident	45 Å²	45	44.4 Å²	44.4	32%	0.315	24%	0.241	S	C	.	.	S	Bend	trans	-68.8	-15.7	-172.6	60.2	0	0	0	0	116	E356	S333-E356 PolarHBondContact N-OE2 2.77Å
334	E	87.7	Confident	86.9	Confident	107 Å²	107	46.4 Å²	46.4	50%	0.5	25%	0.248	S	C	.	.	S	Bend	trans	-103.5	-23.6	-174.2	-60.3	-178.4	171.7	0	0	112.3	P309 N332 L336 Q337	P309-E334 HydrophobicContact CB-CB 3.81Å; P309-E334 WeakPolarHBondContact CB-O 3.42Å; P309-E334 HydrophobicContact CG-CB 3.78Å; N332-E334 PolarHBondContact O-N 3.48Å; N332-E334 PolarHBondContact OD1-N 3.04Å; E334-L336 VanDerWaalsContact C-N 3.25Å; E334-L336 PolarHBondContact O-N 3.39Å; E334-L336 VanDerWaalsContact O-N 3.11Å; E334-Q337 WeakPolarHBondContact O-CB 3.4Å; E334-Q337 WeakPolarHBondContact O-CG 3.18Å; E334-Q337 PolarHBondContact O-N 2.85Å; E334-Q337 VanDerWaalsContact O-N 3.09Å
335	M	86.6	Confident	88.1	Confident	3 Å²	3	46.3 Å²	46.3	2%	0.015	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-34.7	-169.6	177.3	149.2	59	0	0	114.3	L307 F326 L331 N332	L307-M335 HydrophobicContact CB-SD 3.97Å; L307-M335 HydrophobicContact CD2-CG 3.83Å; L307-M335 HydrophobicContact CD2-SD 3.7Å; L307-M335 HydrophobicContact CG-SD 4.45Å; F326-M335 HydrophobicContact CE2-CE 4.17Å; L331-M335 HydrophobicContact CB-CE 4.39Å; L331-M335 HydrophobicContact CD1-CE 3.26Å; L331-M335 HydrophobicContact CG-CE 4.33Å; N332-M335 WeakPolarHBondContact OD1-CA 3.24Å; N332-M335 WeakPolarHBondContact OD1-CB 3.3Å; N332-M335 PolarHBondContact OD1-N 3.34Å
336	L	92.4	Very high	89.2	Confident	1 Å²	1	43 Å²	43	1%	0.005	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	15.6	-177.6	-52.1	-179.9	0	0	0	112.7	F312 L321 L323 L331 E334 C338 L339 L345 L363	F312-L336 HydrophobicContact CD2-CD2 4.39Å; F312-L336 HydrophobicContact CE2-CD2 4.17Å; L321-L336 HydrophobicContact CD2-CD2 3.91Å; L323-L336 HydrophobicContact CD1-CD2 4.23Å; L331-L336 HydrophobicContact CD1-CD1 3.9Å; L331-L336 HydrophobicContact CD1-CG 4.18Å; E334-L336 VanDerWaalsContact C-N 3.25Å; E334-L336 PolarHBondContact O-N 3.39Å; E334-L336 VanDerWaalsContact O-N 3.11Å; L336-C338 PolarHBondContact O-N 3.05Å; L336-L339 HydrophobicContact CB-CD1 4.44Å; L336-L339 HydrophobicContact CD2-CD1 4.01Å; L336-L339 PolarHBondContact O-N 3.27Å; L336-L345 HydrophobicContact CD1-CD1 4.18Å; L336-L345 HydrophobicContact CD1-CD2 3.6Å; L336-L363 HydrophobicContact CB-CD1 4.45Å; L336-L363 HydrophobicContact CB-CD2 4Å; L336-L363 HydrophobicContact CD1-CD1 3.86Å
337	Q	93	Very high	90.4	Very high	90 Å²	90	42.7 Å²	42.7	42%	0.421	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-18.3	-172.4	74.7	-178.4	17.7	0	0	114.8	E334	E334-Q337 WeakPolarHBondContact O-CB 3.4Å; E334-Q337 WeakPolarHBondContact O-CG 3.18Å; E334-Q337 PolarHBondContact O-N 2.85Å; E334-Q337 VanDerWaalsContact O-N 3.09Å
338	C	94.8	Very high	91.6	Very high	18 Å²	18	41 Å²	41	12%	0.122	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	13.7	-174	-91.1	0	0	0	0	113.7	C313 L336 P340	C313-C338 VanDerWaalsContact CA-SG 3.55Å; C313-C338 HydrophobicContact CB-CB 3.83Å; C313-C338 WeakPolarHBondContact CB-SG 3.42Å; C313-C338 WeakPolarHBondContact SG-CB 3.36Å; C313-C338 CovalentContact SG-SG 2.03Å; C313-C338 PolarHBondContact SG-SG 2.98Å; L336-C338 PolarHBondContact O-N 3.05Å; C338-P340 VanDerWaalsContact C-CD 3.4Å; C338-P340 VanDerWaalsContact O-CD 3.29Å; C338-P340 WeakPolarHBondContact O-CD 3.11Å
339	L	96.3	Very high	92.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.218	C	C	.	.			trans	-121.4	63.2	-172.4	-64.3	179.7	0	0	0	112.4	F312 V315 L318 L321 L336 D341 L342 L363	F312-L339 HydrophobicContact CB-CD1 4.17Å; F312-L339 HydrophobicContact CB-CD2 3.73Å; F312-L339 HydrophobicContact CB-CG 3.94Å; F312-L339 HydrophobicContact CD2-CD1 4.01Å; F312-L339 HydrophobicContact CG-CD1 4.15Å; F312-L339 HydrophobicContact CG-CD2 4.43Å; F312-L339 HydrophobicContact CG-CG 4.47Å; V315-L339 WeakPolarHBondContact O-CD2 3.41Å; L318-L339 HydrophobicContact CB-CD2 3.87Å; L318-L339 HydrophobicContact CD2-CD1 4.44Å; L318-L339 HydrophobicContact CD2-CD2 4.03Å; L321-L339 HydrophobicContact CD2-CD1 3.67Å; L336-L339 HydrophobicContact CB-CD1 4.44Å; L336-L339 HydrophobicContact CD2-CD1 4.01Å; L336-L339 PolarHBondContact O-N 3.27Å; L339-D341 VanDerWaalsContact C-N 3.28Å; L339-D341 PolarHBondContact O-N 2.92Å; L339-L342 HydrophobicContact CB-CB 4.08Å; L339-L342 HydrophobicContact CD1-CD2 4.22Å; L339-L342 PolarHBondContact O-N 2.99Å; L339-L363 HydrophobicContact CB-CD2 3.96Å; L339-L363 VanDerWaalsContact O-CD2 3.23Å; L339-L363 WeakPolarHBondContact O-CD2 3.47Å
340	P	94.9	Very high	92.4	Very high	53 Å²	53	37.8 Å²	37.8	34%	0.344	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-29.1	-175.9	28.8	-36	0	0	0	113.7	C338 N365	C338-P340 VanDerWaalsContact C-CD 3.4Å; C338-P340 VanDerWaalsContact O-CD 3.29Å; C338-P340 WeakPolarHBondContact O-CD 3.11Å; P340-N365 PolarHBondContact O-ND2 2.93Å
341	D	96.8	Very high	92.6	Very high	72 Å²	72	33.8 Å²	33.8	39%	0.385	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	5.6	-175.3	-63.7	-19.5	0	0	0	113.3	L318 L339 S343	L318-D341 CarbonylContact O-C 3.39Å; L339-D341 VanDerWaalsContact C-N 3.28Å; L339-D341 PolarHBondContact O-N 2.92Å; D341-S343 PolarHBondContact O-N 3.04Å; D341-S343 VanDerWaalsContact O-N 3.14Å
342	L	98.1	Very high	92.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.188	C	C	.	.			trans	-66.4	117.2	-178.4	-164.1	74.8	0	0	0	110.6	L318 L321 L339 L345 L363 N365 L366	L318-L342 HydrophobicContact CD2-CD1 4.22Å; L318-L342 HydrophobicContact CG-CD1 4.28Å; L318-L342 WeakPolarHBondContact O-CA 3.49Å; L318-L342 PolarHBondContact O-N 3.13Å; L321-L342 HydrophobicContact CB-CD1 3.69Å; L321-L342 HydrophobicContact CB-CD2 4.31Å; L339-L342 HydrophobicContact CB-CB 4.08Å; L339-L342 HydrophobicContact CD1-CD2 4.22Å; L339-L342 PolarHBondContact O-N 2.99Å; L342-L345 HydrophobicContact CD2-CB 4.1Å; L342-L345 HydrophobicContact CD2-CD1 4.24Å; L342-L363 HydrophobicContact CB-CD2 4.18Å; L342-L363 HydrophobicContact CD2-CD1 4.13Å; L342-L363 HydrophobicContact CD2-CD2 4.13Å; L342-N365 CarbonylContact O-C 3.09Å; L342-L366 WeakPolarHBondContact O-CA 3.24Å; L342-L366 PolarHBondContact O-N 3.17Å
343	S	98.3	Very high	93	Very high	50 Å²	50	35 Å²	35	35%	0.35	19%	0.193	S	C	.	.			trans	-97.9	-32.3	179.2	-175.2	0	0	0	0	111.9	Q319 D341 A367 T368	Q319-S343 PolarHBondContact O-N 3.33Å; D341-S343 PolarHBondContact O-N 3.04Å; D341-S343 VanDerWaalsContact O-N 3.14Å; S343-A367 WeakPolarHBondContact O-CA 3.09Å; S343-A367 PolarHBondContact O-N 3.38Å; S343-T368 PolarHBondContact O-N 3.47Å
344	R	98.3	Very high	93.3	Very high	43 Å²	43	35.2 Å²	35.2	16%	0.162	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	125.2	-179.4	-176.1	163.7	173.4	-167.8	-3.9	112.5	Q319 Y320 L321 T368	Q319-R344 PolarHBondContact O-N 2.93Å; Y320-R344 WeakPolarHBondContact CA-O 3.07Å; Y320-R344 HydrophobicContact CD2-CB 3.76Å; Y320-R344 HydrophobicContact CD2-CG 3.6Å; Y320-R344 HydrophobicContact CE2-CB 4.37Å; Y320-R344 HydrophobicContact CE2-CG 3.69Å; L321-R344 PolarHBondContact N-O 3.23Å; R344-T368 WeakPolarHBondContact CA-O 3.38Å; R344-T368 HydrophobicContact CG-CG2 4.24Å
345	L	97.1	Very high	93.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	121.8	174.8	179.2	62.7	0	0	0	109.7	L321 L336 L342 I347 L360 L363 L366 T368 I369 N370	L321-L345 HydrophobicContact CB-CD1 4.34Å; L321-L345 HydrophobicContact CD2-CD1 4.27Å; L321-L345 HydrophobicContact CG-CD1 4.33Å; L336-L345 HydrophobicContact CD1-CD1 4.18Å; L336-L345 HydrophobicContact CD1-CD2 3.6Å; L342-L345 HydrophobicContact CD2-CB 4.1Å; L342-L345 HydrophobicContact CD2-CD1 4.24Å; L345-I347 HydrophobicContact CD1-CD1 4.06Å; L345-I347 HydrophobicContact CD1-CG1 4.11Å; L345-I347 HydrophobicContact CD2-CD1 3.87Å; L345-I347 HydrophobicContact CG-CD1 3.99Å; L345-I347 HydrophobicContact CG-CG1 4.2Å; L345-L360 HydrophobicContact CD2-CD2 4.01Å; L345-L363 HydrophobicContact CD2-CD1 4.26Å; L345-L366 HydrophobicContact CB-CD1 3.86Å; L345-T368 PolarHBondContact N-O 3.08Å; L345-I369 HydrophobicContact CB-CG1 4.36Å; L345-I369 HydrophobicContact CD2-CD1 4.19Å; L345-I369 HydrophobicContact CD2-CG1 4.39Å; L345-I369 WeakPolarHBondContact O-CA 3.41Å; L345-N370 PolarHBondContact O-N 2.93Å
346	D	95.9	Very high	93.9	Very high	9 Å²	9	34 Å²	34	5%	0.048	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	112.5	176	-161.7	-48.1	0	0	0	109.6	L321 S322 L323 T348 N370	L321-D346 PolarHBondContact O-N 2.93Å; S322-D346 CarbonylContact C-O 3.51Å; S322-D346 VanDerWaalsContact CA-O 3.31Å; S322-D346 WeakPolarHBondContact CA-O 3.27Å; L323-D346 PolarHBondContact N-O 3.21Å; D346-T348 WeakPolarHBondContact OD1-CB 3.26Å; D346-T348 WeakPolarHBondContact OD1-CG2 3.24Å; D346-T348 PolarHBondContact OD1-N 3.16Å; D346-T348 PolarHBondContact OD1-OG1 3.37Å; D346-N370 HydrophobicContact CB-CB 4.43Å; D346-N370 PolarHBondContact OD2-ND2 2.86Å
347	I	93.5	Very high	93.9	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.216	C	C	.	.			trans	-123.9	76.1	173.5	-65.2	163.9	0	0	0	107.3	L323 F326 L331 L345 L352 N370 L371 N374	L323-I347 HydrophobicContact CB-CG1 4.05Å; L323-I347 WeakPolarHBondContact O-CA 3.28Å; F326-I347 HydrophobicContact CE1-CG1 4.31Å; F326-I347 HydrophobicContact CE1-CG2 3.58Å; F326-I347 HydrophobicContact CZ-CG2 4Å; L331-I347 HydrophobicContact CD1-CD1 4.29Å; L331-I347 HydrophobicContact CD2-CD1 4.12Å; L345-I347 HydrophobicContact CD1-CD1 4.06Å; L345-I347 HydrophobicContact CD1-CG1 4.11Å; L345-I347 HydrophobicContact CD2-CD1 3.87Å; L345-I347 HydrophobicContact CG-CD1 3.99Å; L345-I347 HydrophobicContact CG-CG1 4.2Å; I347-L352 HydrophobicContact CG2-CD2 3.98Å; I347-N370 CarbonylContact C-O 3.17Å; I347-N370 PolarHBondContact N-O 3.01Å; I347-L371 HydrophobicContact CB-CD2 3.97Å; I347-L371 HydrophobicContact CD1-CD2 4.41Å; I347-L371 HydrophobicContact CG2-CD2 4.35Å; I347-L371 WeakPolarHBondContact O-CA 3.23Å; I347-N374 PolarHBondContact O-ND2 3.46Å
348	T	91.9	Very high	93.8	Very high	20 Å²	20	36.8 Å²	36.8	12%	0.123	21%	0.206	C	C	.	.			trans	-96.6	153.6	177	40.2	0	0	0	0	111.5	G324 D346 S350 N370 R372	G324-T348 WeakPolarHBondContact CA-O 3.36Å; D346-T348 WeakPolarHBondContact OD1-CB 3.26Å; D346-T348 WeakPolarHBondContact OD1-CG2 3.24Å; D346-T348 PolarHBondContact OD1-N 3.16Å; D346-T348 PolarHBondContact OD1-OG1 3.37Å; T348-S350 PolarHBondContact O-N 3.25Å; T348-S350 PolarHBondContact O-OG 3.04Å; T348-N370 VanDerWaalsContact CG2-CG 3.46Å; T348-N370 VanDerWaalsContact CG2-ND2 3.29Å; T348-N370 WeakPolarHBondContact CG2-ND2 3.49Å; T348-N370 WeakPolarHBondContact CG2-OD1 3.44Å; T348-R372 WeakPolarHBondContact CA-O 3.38Å; T348-R372 HydrophobicContact CG2-CB 4.02Å
349	D	89.7	Confident	93.7	Very high	80 Å²	80	35.9 Å²	35.9	43%	0.428	20%	0.2	S	C	.	.	S	Bend	trans	55	31.1	168.9	-63	-84.2	0	0	0	114.5	R372 N373	D349-R372 PolarHBondContact N-O 2.91Å; D349-N373 WeakPolarHBondContact CA-O 3.27Å; D349-N373 PolarHBondContact OD1-ND2 3.17Å
350	S	87.8	Confident	93.7	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.014	20%	0.2	C	C	.	.	S	Bend	trans	-110	6.7	-167.3	-66	0	0	0	0	115	L323 G324 D325 F326 T348 L352 N374	L323-S350 PolarHBondContact O-OG 2.74Å; G324-S350 VanDerWaalsContact CA-OG 3.26Å; G324-S350 WeakPolarHBondContact CA-OG 3.24Å; D325-S350 PolarHBondContact N-OG 2.9Å; F326-S350 WeakPolarHBondContact CE1-OG 3.29Å; T348-S350 PolarHBondContact O-N 3.25Å; T348-S350 PolarHBondContact O-OG 3.04Å; S350-L352 PolarHBondContact O-N 3.39Å; S350-L352 VanDerWaalsContact O-N 3.11Å; S350-N374 WeakPolarHBondContact CA-OD1 3.46Å; S350-N374 WeakPolarHBondContact CB-OD1 3.23Å; S350-N374 PolarHBondContact N-OD1 3.46Å; S350-N374 VanDerWaalsContact N-OD1 3.07Å
351	S	90.1	Very high	93.6	Very high	64 Å²	64	36.3 Å²	36.3	45%	0.448	20%	0.198	S	C	.	.			trans	53.8	27.6	-174.9	-59.8	0	0	0	0	114.3	E353 N374	S351-E353 PolarHBondContact O-N 3.31Å; S351-N374 PolarHBondContact N-OD1 2.94Å
352	L	92.2	Very high	93.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.204	C	C	.	.			trans	-64	125.4	-180	-174.5	65.7	0	0	0	110.2	L331 I347 S350 I355 L371 N374 K375 I376	L331-L352 HydrophobicContact CB-CD1 4.16Å; I347-L352 HydrophobicContact CG2-CD2 3.98Å; S350-L352 PolarHBondContact O-N 3.39Å; S350-L352 VanDerWaalsContact O-N 3.11Å; L352-I355 HydrophobicContact CD2-CG1 4.18Å; L352-L371 HydrophobicContact CD2-CD2 3.84Å; L352-N374 HydrophobicContact CB-CB 3.94Å; L352-N374 VanDerWaalsContact CB-OD1 3.3Å; L352-N374 WeakPolarHBondContact CB-OD1 3.18Å; L352-N374 PolarHBondContact N-OD1 2.73Å; L352-K375 CarbonylContact O-C 3.56Å; L352-K375 WeakPolarHBondContact O-CA 3.26Å; L352-K375 PolarHBondContact O-N 3.34Å; L352-I376 HydrophobicContact CD2-CD1 4.27Å; L352-I376 WeakPolarHBondContact O-CG1 3.09Å; L352-I376 PolarHBondContact O-N 3.44Å; L352-I376 VanDerWaalsContact O-N 3.15Å
353	E	93.8	Very high	93.2	Very high	79 Å²	79	38.5 Å²	38.5	37%	0.369	20%	0.204	S	C	.	.			trans	-103.6	-31.5	-178.5	-65.3	179.9	-157.2	0	0	112.4	K329 S351 K375	K329-E353 HydrophobicContact CB-CG 4.34Å; K329-E353 WeakPolarHBondContact CD-OE1 3.26Å; K329-E353 WeakPolarHBondContact CE-OE1 3.27Å; K329-E353 IonicContact NZ-OE1 2.77Å; K329-E353 PolarHBondContact NZ-OE1 2.97Å; K329-E353 PolarHBondContact O-N 3.06Å; S351-E353 PolarHBondContact O-N 3.31Å; E353-K375 HydrophobicContact CG-CB 4.02Å
354	N	91.2	Very high	93	Very high	48 Å²	48	39.4 Å²	39.4	26%	0.257	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	146.3	-174.8	-167.5	51.4	0	0	0	112.9	K329 R330 L331	K329-N354 PolarHBondContact O-N 3.1Å; R330-N354 WeakPolarHBondContact CA-O 3.44Å; R330-N354 HydrophobicContact CG-CB 4.21Å; L331-N354 PolarHBondContact N-O 3.23Å
355	I	93.9	Very high	92.9	Very high	17 Å²	17	40.8 Å²	40.8	9%	0.087	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	121.3	167.5	-62.6	168.2	0	0	0	106.5	L331 L352 A359 L360 L371 I376 T383	L331-I355 HydrophobicContact CB-CG1 4.38Å; L331-I355 HydrophobicContact CD2-CG1 4.37Å; L331-I355 HydrophobicContact CD2-CG2 4.18Å; L352-I355 HydrophobicContact CD2-CG1 4.18Å; I355-A359 HydrophobicContact CG2-CB 4.31Å; I355-L360 HydrophobicContact CG2-CD1 4.19Å; I355-L360 HydrophobicContact CG2-CG 4.12Å; I355-L371 HydrophobicContact CD1-CD1 3.64Å; I355-L371 HydrophobicContact CD1-CD2 4.43Å; I355-I376 HydrophobicContact CD1-CD1 4.25Å; I355-T383 HydrophobicContact CB-CG2 4.3Å; I355-T383 HydrophobicContact CD1-CG2 4.19Å; I355-T383 HydrophobicContact CG2-CG2 4.27Å
356	E	92.2	Very high	92.9	Very high	68 Å²	68	40.8 Å²	40.8	32%	0.318	22%	0.219	S	C	.	.			trans	-72.5	149.6	179.4	-68.5	-176.4	175.6	0	0	111.4	L331 N332 S333 G358 A359	L331-E356 WeakPolarHBondContact O-CB 3.32Å; L331-E356 PolarHBondContact O-N 3.42Å; N332-E356 WeakPolarHBondContact CA-OE2 3.42Å; N332-E356 VanDerWaalsContact CB-OE2 3.29Å; N332-E356 WeakPolarHBondContact CB-OE2 3.45Å; S333-E356 PolarHBondContact N-OE2 2.77Å; E356-G358 PolarHBondContact O-N 3.11Å; E356-A359 VanDerWaalsContact O-CB 3.26Å; E356-A359 WeakPolarHBondContact O-CB 3.47Å; E356-A359 PolarHBondContact O-N 2.85Å; E356-A359 VanDerWaalsContact O-N 3.12Å
357	I	91.4	Very high	93.1	Very high	128 Å²	128	41.1 Å²	41.1	66%	0.656	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	130.1	176.1	-58.7	175	0	0	0	108.3	A359	I357-A359 VanDerWaalsContact C-N 3.34Å
358	G	91.5	Very high	93.3	Very high	21 Å²	21	41.7 Å²	41.7	22%	0.216	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.9	-12.8	-179.9	0	0	0	0	0	114.4	E356 L360 Q361	E356-G358 PolarHBondContact O-N 3.11Å; G358-L360 PolarHBondContact O-N 3.06Å; G358-Q361 PolarHBondContact O-N 3.24Å
359	A	92.7	Very high	93.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	-65.1	-39.8	-175.5	0	0	0	0	0	113.7	L331 N332 I355 E356 I357	L331-A359 HydrophobicContact CG-CB 4.08Å; N332-A359 WeakPolarHBondContact O-CB 3.22Å; I355-A359 HydrophobicContact CG2-CB 4.31Å; E356-A359 VanDerWaalsContact O-CB 3.26Å; E356-A359 WeakPolarHBondContact O-CB 3.47Å; E356-A359 PolarHBondContact O-N 2.85Å; E356-A359 VanDerWaalsContact O-N 3.12Å; I357-A359 VanDerWaalsContact C-N 3.34Å
360	L	95.7	Very high	94	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.207	C	C	.	.	S	Bend	trans	-88.8	-24.1	177.9	-60.1	178.1	0	0	0	112.1	L331 L345 I355 G358 K362 L363 L366 I369 F384 L387	L331-L360 HydrophobicContact CD2-CD2 3.71Å; L331-L360 HydrophobicContact CD2-CG 4.41Å; L345-L360 HydrophobicContact CD2-CD2 4.01Å; I355-L360 HydrophobicContact CG2-CD1 4.19Å; I355-L360 HydrophobicContact CG2-CG 4.12Å; G358-L360 PolarHBondContact O-N 3.06Å; L360-K362 PolarHBondContact O-N 3.04Å; L360-L363 HydrophobicContact CD2-CD1 4.16Å; L360-L363 WeakPolarHBondContact O-CB 3.31Å; L360-L363 PolarHBondContact O-N 3.21Å; L360-L366 HydrophobicContact CD2-CD2 4.47Å; L360-I369 HydrophobicContact CD1-CD1 3.71Å; L360-I369 HydrophobicContact CD2-CD1 3.79Å; L360-I369 HydrophobicContact CG-CD1 4.44Å; L360-F384 HydrophobicContact CD1-CD1 3.75Å; L360-F384 HydrophobicContact CD1-CE1 3.62Å; L360-L387 HydrophobicContact CB-CD1 3.79Å; L360-L387 HydrophobicContact CD1-CD1 4.36Å; L360-L387 WeakPolarHBondContact O-CD2 3.48Å
361	Q	94.1	Very high	94.4	Very high	62 Å²	62	38.1 Å²	38.1	29%	0.29	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-10.1	-179.6	-72.1	67.4	36.6	0	0	113.7	G358 L363 S382 T383 A385	G358-Q361 PolarHBondContact O-N 3.24Å; Q361-L363 VanDerWaalsContact C-N 3.26Å; Q361-S382 PolarHBondContact NE2-O 3.24Å; Q361-T383 PolarHBondContact NE2-O 2.63Å; Q361-T383 VanDerWaalsContact NE2-O 3.09Å; Q361-A385 WeakPolarHBondContact CG-O 3.17Å; Q361-A385 PolarHBondContact NE2-O 3.25Å
362	K	91	Very high	94.7	Very high	118 Å²	118	40.4 Å²	40.4	51%	0.513	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-2.3	170.7	-59.9	-58.5	-177.3	-179.3	0	113.6	L360 P364	L360-K362 PolarHBondContact O-N 3.04Å; K362-P364 VanDerWaalsContact C-CD 3.47Å; K362-P364 WeakPolarHBondContact O-CD 3.48Å
363	L	95.6	Very high	94.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.218	C	C	.	.			trans	-114.4	73.6	-176.9	-50.6	174.8	0	0	0	109.6	L336 L339 L342 L345 L360 Q361 N365 L366	L336-L363 HydrophobicContact CB-CD1 4.45Å; L336-L363 HydrophobicContact CB-CD2 4Å; L336-L363 HydrophobicContact CD1-CD1 3.86Å; L339-L363 HydrophobicContact CB-CD2 3.96Å; L339-L363 VanDerWaalsContact O-CD2 3.23Å; L339-L363 WeakPolarHBondContact O-CD2 3.47Å; L342-L363 HydrophobicContact CB-CD2 4.18Å; L342-L363 HydrophobicContact CD2-CD1 4.13Å; L342-L363 HydrophobicContact CD2-CD2 4.13Å; L345-L363 HydrophobicContact CD2-CD1 4.26Å; L360-L363 HydrophobicContact CD2-CD1 4.16Å; L360-L363 WeakPolarHBondContact O-CB 3.31Å; L360-L363 PolarHBondContact O-N 3.21Å; Q361-L363 VanDerWaalsContact C-N 3.26Å; L363-N365 PolarHBondContact O-N 2.88Å; L363-L366 HydrophobicContact CB-CB 3.88Å; L363-L366 HydrophobicContact CB-CD2 4.44Å; L363-L366 HydrophobicContact CD1-CD1 4.34Å; L363-L366 HydrophobicContact CD1-CD2 4.05Å; L363-L366 WeakPolarHBondContact O-CB 3.48Å; L363-L366 PolarHBondContact O-N 2.98Å
364	P	93.5	Very high	94.9	Very high	68 Å²	68	39.1 Å²	39.1	44%	0.442	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-29.7	-172.7	26.6	-35.3	0	0	0	112.9	K362 H389	K362-P364 VanDerWaalsContact C-CD 3.47Å; K362-P364 WeakPolarHBondContact O-CD 3.48Å; P364-H389 PolarHBondContact O-CD2 2.68Å
365	N	96	Very high	95.1	Very high	72 Å²	72	42.1 Å²	42.1	39%	0.385	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	9	-177.5	-65.5	-44.6	0	0	0	114	P340 L342 L363 A367	P340-N365 PolarHBondContact O-ND2 2.93Å; L342-N365 CarbonylContact O-C 3.09Å; L363-N365 PolarHBondContact O-N 2.88Å; N365-A367 PolarHBondContact O-N 3.34Å; N365-A367 VanDerWaalsContact O-N 3.11Å
366	L	98	Very high	95.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.208	C	C	.	.			trans	-65.3	115.3	-176.3	-168.9	69.7	0	0	0	110.6	L342 L345 L360 L363 I369 L387 H389 L390	L342-L366 WeakPolarHBondContact O-CA 3.24Å; L342-L366 PolarHBondContact O-N 3.17Å; L345-L366 HydrophobicContact CB-CD1 3.86Å; L360-L366 HydrophobicContact CD2-CD2 4.47Å; L363-L366 HydrophobicContact CB-CB 3.88Å; L363-L366 HydrophobicContact CB-CD2 4.44Å; L363-L366 HydrophobicContact CD1-CD1 4.34Å; L363-L366 HydrophobicContact CD1-CD2 4.05Å; L363-L366 WeakPolarHBondContact O-CB 3.48Å; L363-L366 PolarHBondContact O-N 2.98Å; L366-I369 HydrophobicContact CD2-CB 4.29Å; L366-I369 HydrophobicContact CD2-CD1 4.39Å; L366-L387 HydrophobicContact CD2-CD1 4.48Å; L366-H389 CarbonylContact O-C 3.44Å; L366-L390 HydrophobicContact CB-CD1 4.49Å; L366-L390 HydrophobicContact CD2-CD1 4.08Å; L366-L390 HydrophobicContact CG-CD1 3.94Å; L366-L390 WeakPolarHBondContact O-CA 3.48Å; L366-L390 PolarHBondContact O-N 3.03Å
367	A	98.4	Very high	95.5	Very high	16 Å²	16	44.2 Å²	44.2	13%	0.132	22%	0.219	C	C	.	.			trans	-101.8	-35.8	179.6	0	0	0	0	0	112	S343 N365 Y391 S392	S343-A367 WeakPolarHBondContact O-CA 3.09Å; S343-A367 PolarHBondContact O-N 3.38Å; N365-A367 PolarHBondContact O-N 3.34Å; N365-A367 VanDerWaalsContact O-N 3.11Å; A367-Y391 WeakPolarHBondContact O-CA 3.06Å; A367-Y391 WeakPolarHBondContact O-CB 3.38Å; A367-Y391 PolarHBondContact O-N 3.05Å; A367-S392 PolarHBondContact O-N 2.97Å
368	T	98.6	Very high	95.8	Very high	12 Å²	12	44.3 Å²	44.3	7%	0.074	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	130.4	-177.7	-59.1	0	0	0	0	111.2	S343 R344 L345 S392	S343-T368 PolarHBondContact O-N 3.47Å; R344-T368 WeakPolarHBondContact CA-O 3.38Å; R344-T368 HydrophobicContact CG-CG2 4.24Å; L345-T368 PolarHBondContact N-O 3.08Å; T368-S392 WeakPolarHBondContact CA-O 3.42Å
369	I	97.9	Very high	96.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	125.9	171.7	-165.4	174.8	0	0	0	110.8	L345 L360 L366 L371 F384 L390 S392 I393 D394	L345-I369 HydrophobicContact CB-CG1 4.36Å; L345-I369 HydrophobicContact CD2-CD1 4.19Å; L345-I369 HydrophobicContact CD2-CG1 4.39Å; L345-I369 WeakPolarHBondContact O-CA 3.41Å; L360-I369 HydrophobicContact CD1-CD1 3.71Å; L360-I369 HydrophobicContact CD2-CD1 3.79Å; L360-I369 HydrophobicContact CG-CD1 4.44Å; L366-I369 HydrophobicContact CD2-CB 4.29Å; L366-I369 HydrophobicContact CD2-CD1 4.39Å; I369-L371 HydrophobicContact CD1-CD1 3.81Å; I369-L371 HydrophobicContact CD1-CD2 4.26Å; I369-L371 HydrophobicContact CD1-CG 4.06Å; I369-L371 HydrophobicContact CG1-CD1 4.17Å; I369-L371 HydrophobicContact CG1-CD2 4.38Å; I369-L371 HydrophobicContact CG1-CG 3.98Å; I369-F384 HydrophobicContact CD1-CE1 4.29Å; I369-F384 HydrophobicContact CG2-CE1 4.11Å; I369-L390 HydrophobicContact CB-CD1 4.44Å; I369-L390 HydrophobicContact CG2-CD1 4.13Å; I369-L390 HydrophobicContact CG2-CD2 4.44Å; I369-S392 PolarHBondContact N-O 3.47Å; I369-I393 HydrophobicContact CG2-CB 4.16Å; I369-I393 HydrophobicContact CG2-CG1 3.81Å; I369-I393 HydrophobicContact CG2-CG2 4.06Å; I369-I393 WeakPolarHBondContact O-CA 3.41Å; I369-D394 PolarHBondContact O-N 3.06Å
370	N	97.5	Very high	96.3	Very high	27 Å²	27	46.1 Å²	46.1	14%	0.144	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	115.2	175.9	-176.4	3.9	0	0	0	109.5	L345 D346 I347 T348 R372	L345-N370 PolarHBondContact O-N 2.93Å; D346-N370 HydrophobicContact CB-CB 4.43Å; D346-N370 PolarHBondContact OD2-ND2 2.86Å; I347-N370 CarbonylContact C-O 3.17Å; I347-N370 PolarHBondContact N-O 3.01Å; T348-N370 VanDerWaalsContact CG2-CG 3.46Å; T348-N370 VanDerWaalsContact CG2-ND2 3.29Å; T348-N370 WeakPolarHBondContact CG2-ND2 3.49Å; T348-N370 WeakPolarHBondContact CG2-OD1 3.44Å; N370-R372 VanDerWaalsContact OD1-CB 3.26Å; N370-R372 WeakPolarHBondContact OD1-CB 3.34Å; N370-R372 PolarHBondContact OD1-N 2.83Å; N370-R372 VanDerWaalsContact OD1-N 3.13Å
371	L	96.7	Very high	96.3	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	25%	0.247	C	C	.	.			trans	-122.2	20.8	-179.1	-63.7	166.2	0	0	0	111	I347 L352 I355 I369 N374 I376 F384 D394 L395 N398	I347-L371 HydrophobicContact CB-CD2 3.97Å; I347-L371 HydrophobicContact CD1-CD2 4.41Å; I347-L371 HydrophobicContact CG2-CD2 4.35Å; I347-L371 WeakPolarHBondContact O-CA 3.23Å; L352-L371 HydrophobicContact CD2-CD2 3.84Å; I355-L371 HydrophobicContact CD1-CD1 3.64Å; I355-L371 HydrophobicContact CD1-CD2 4.43Å; I369-L371 HydrophobicContact CD1-CD1 3.81Å; I369-L371 HydrophobicContact CD1-CD2 4.26Å; I369-L371 HydrophobicContact CD1-CG 4.06Å; I369-L371 HydrophobicContact CG1-CD1 4.17Å; I369-L371 HydrophobicContact CG1-CD2 4.38Å; I369-L371 HydrophobicContact CG1-CG 3.98Å; L371-N374 VanDerWaalsContact C-ND2 3.33Å; L371-N374 PolarHBondContact O-ND2 2.75Å; L371-I376 HydrophobicContact CB-CD1 4.13Å; L371-I376 HydrophobicContact CD1-CD1 4.15Å; L371-F384 HydrophobicContact CD1-CZ 4.37Å; L371-D394 CarbonylContact C-O 3.23Å; L371-D394 WeakPolarHBondContact CA-O 3.35Å; L371-D394 WeakPolarHBondContact CB-O 3.28Å; L371-D394 PolarHBondContact N-O 3.47Å; L371-L395 HydrophobicContact CB-CD2 3.96Å; L371-L395 HydrophobicContact CD1-CD2 3.73Å; L371-N398 PolarHBondContact O-ND2 2.83Å
372	R	96.1	Very high	96.4	Very high	113 Å²	113	53.2 Å²	53.2	43%	0.426	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	147.4	-177.9	172.1	178.2	177.1	-152.6	-4.2	112.1	T348 D349 N370 N374 S396	T348-R372 WeakPolarHBondContact CA-O 3.38Å; T348-R372 HydrophobicContact CG2-CB 4.02Å; D349-R372 PolarHBondContact N-O 2.91Å; N370-R372 VanDerWaalsContact OD1-CB 3.26Å; N370-R372 WeakPolarHBondContact OD1-CB 3.34Å; N370-R372 PolarHBondContact OD1-N 2.83Å; N370-R372 VanDerWaalsContact OD1-N 3.13Å; R372-N374 PolarHBondContact O-N 2.8Å; R372-N374 PolarHBondContact O-ND2 2.8Å; R372-S396 VanDerWaalsContact CA-O 3.27Å; R372-S396 WeakPolarHBondContact CA-O 3.29Å; R372-S396 WeakPolarHBondContact CD-OG 3.41Å; R372-S396 WeakPolarHBondContact CG-OG 3.4Å
373	N	95.3	Very high	96.7	Very high	51 Å²	51	48.2 Å²	48.2	27%	0.273	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	43.8	176	-156.9	22.9	0	0	0	114.7	D349 S396 N397	D349-N373 WeakPolarHBondContact CA-O 3.27Å; D349-N373 PolarHBondContact OD1-ND2 3.17Å; N373-S396 PolarHBondContact N-O 3.11Å; N373-N397 VanDerWaalsContact CA-O 3.31Å; N373-N397 WeakPolarHBondContact CA-O 3.32Å; N373-N397 PolarHBondContact OD1-ND2 2.89Å
374	N	95.2	Very high	96.7	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	23%	0.226	C	C	.	.	S	Bend	trans	-108.6	-159.7	171.8	-76.9	-68.8	0	0	0	111.2	I347 S350 S351 L352 L371 R372 I376 N398	I347-N374 PolarHBondContact O-ND2 3.46Å; S350-N374 WeakPolarHBondContact CA-OD1 3.46Å; S350-N374 WeakPolarHBondContact CB-OD1 3.23Å; S350-N374 PolarHBondContact N-OD1 3.46Å; S350-N374 VanDerWaalsContact N-OD1 3.07Å; S351-N374 PolarHBondContact N-OD1 2.94Å; L352-N374 HydrophobicContact CB-CB 3.94Å; L352-N374 VanDerWaalsContact CB-OD1 3.3Å; L352-N374 WeakPolarHBondContact CB-OD1 3.18Å; L352-N374 PolarHBondContact N-OD1 2.73Å; L371-N374 VanDerWaalsContact C-ND2 3.33Å; L371-N374 PolarHBondContact O-ND2 2.75Å; R372-N374 PolarHBondContact O-N 2.8Å; R372-N374 PolarHBondContact O-ND2 2.8Å; N374-I376 HydrophobicContact CB-CG1 4.24Å; N374-N398 VanDerWaalsContact CA-OD1 3.28Å; N374-N398 WeakPolarHBondContact CA-OD1 3.49Å; N374-N398 WeakPolarHBondContact CB-OD1 2.91Å; N374-N398 PolarHBondContact N-OD1 2.78Å; N374-N398 PolarHBondContact O-OD1 2.99Å
375	K	96	Very high	96.8	Very high	111 Å²	111	47 Å²	47	48%	0.483	22%	0.221	S	C	.	.			trans	-124.5	26.2	-178.6	-56.5	-61.9	168.9	-149.6	0	111.6	L352 E353 K377 N398	L352-K375 CarbonylContact O-C 3.56Å; L352-K375 WeakPolarHBondContact O-CA 3.26Å; L352-K375 PolarHBondContact O-N 3.34Å; E353-K375 HydrophobicContact CG-CB 4.02Å; K375-K377 PolarHBondContact O-N 3.05Å; K375-N398 PolarHBondContact N-OD1 2.84Å
376	I	97.2	Very high	96.7	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.021	23%	0.234	C	C	.	.			trans	-67.8	129.8	-179.5	-54.5	174.9	0	0	0	108.5	L352 I355 L371 N374 R378 I379 L395 N398 G399 L400	L352-I376 HydrophobicContact CD2-CD1 4.27Å; L352-I376 WeakPolarHBondContact O-CG1 3.09Å; L352-I376 PolarHBondContact O-N 3.44Å; L352-I376 VanDerWaalsContact O-N 3.15Å; I355-I376 HydrophobicContact CD1-CD1 4.25Å; L371-I376 HydrophobicContact CB-CD1 4.13Å; L371-I376 HydrophobicContact CD1-CD1 4.15Å; N374-I376 HydrophobicContact CB-CG1 4.24Å; I376-R378 WeakPolarHBondContact CG2-O 3.38Å; I376-I379 HydrophobicContact CG2-CD1 3.98Å; I376-L395 HydrophobicContact CD1-CD2 4.09Å; I376-N398 WeakPolarHBondContact CB-OD1 3.3Å; I376-N398 PolarHBondContact N-OD1 2.88Å; I376-G399 CarbonylContact O-C 3.2Å; I376-G399 PolarHBondContact O-N 2.84Å; I376-G399 VanDerWaalsContact O-N 3.12Å; I376-L400 HydrophobicContact CB-CD2 4.24Å; I376-L400 HydrophobicContact CG2-CD2 3.71Å; I376-L400 PolarHBondContact O-N 3.03Å
377	K	97.8	Very high	96.6	Very high	124 Å²	124	46.8 Å²	46.8	54%	0.539	24%	0.235	S	C	.	.			trans	-105.3	-22.4	-176	-67.2	-178.2	-178.9	173.9	0	114.6	K375 G399 L400 R401	K375-K377 PolarHBondContact O-N 3.05Å; K377-G399 WeakPolarHBondContact CA-O 3.37Å; K377-L400 WeakPolarHBondContact O-CA 3.4Å; K377-R401 PolarHBondContact O-N 3.07Å
378	R	97.4	Very high	96.4	Very high	130 Å²	130	50.6 Å²	50.6	49%	0.491	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	152.3	178.7	65.6	-178.6	124.4	71.3	4.2	111.7	I376 D380 K402	I376-R378 WeakPolarHBondContact CG2-O 3.38Å; R378-D380 IonicContact NH1-OD2 3.68Å; R378-K402 WeakPolarHBondContact CA-O 3.44Å; R378-K402 HydrophobicContact CB-CB 4.45Å; R378-K402 WeakPolarHBondContact CB-O 3.38Å
379	I	97.9	Very high	96.3	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.01	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	123.7	166	-57.1	-59.8	0	0	0	107.5	I376 T383 F384 L395 L400 K402 I403 S404 A407 F408	I376-I379 HydrophobicContact CG2-CD1 3.98Å; I379-T383 HydrophobicContact CD1-CG2 4.45Å; I379-T383 HydrophobicContact CG2-CG2 4.29Å; I379-F384 HydrophobicContact CD1-CE2 4.18Å; I379-F384 HydrophobicContact CG2-CD2 3.9Å; I379-F384 HydrophobicContact CG2-CE2 3.64Å; I379-L395 HydrophobicContact CD1-CD1 4.01Å; I379-L395 HydrophobicContact CD1-CD2 3.92Å; I379-L395 HydrophobicContact CG1-CD1 3.93Å; I379-L400 HydrophobicContact CD1-CD2 4.17Å; I379-L400 HydrophobicContact CG1-CD1 4.33Å; I379-L400 HydrophobicContact CG1-CD2 3.88Å; I379-K402 PolarHBondContact N-O 3.23Å; I379-K402 VanDerWaalsContact N-O 3.11Å; I379-I403 HydrophobicContact CB-CG1 4.31Å; I379-I403 HydrophobicContact CG1-CG1 4.47Å; I379-S404 PolarHBondContact O-N 3.18Å; I379-A407 HydrophobicContact CG2-CB 3.96Å; I379-F408 HydrophobicContact CG2-CE1 4.3Å; I379-F408 HydrophobicContact CG2-CZ 4.33Å
380	D	96.6	Very high	96.3	Very high	58 Å²	58	55.2 Å²	55.2	31%	0.31	27%	0.271	S	S	.	.			trans	-99.9	159.1	179.7	-61.8	-51.7	0	0	0	110.7	R378 S382 T383 S404	R378-D380 IonicContact NH1-OD2 3.68Å; D380-S382 PolarHBondContact O-N 3.22Å; D380-T383 PolarHBondContact N-OG1 3.44Å; D380-T383 VanDerWaalsContact O-CB 3.29Å; D380-T383 WeakPolarHBondContact O-CB 3.16Å; D380-T383 PolarHBondContact O-N 2.83Å; D380-T383 PolarHBondContact O-OG1 2.92Å; D380-S404 VanDerWaalsContact C-OG 3.27Å; D380-S404 WeakPolarHBondContact CA-OG 3.46Å
381	R	96.5	Very high	96.3	Very high	171 Å²	171	55.1 Å²	55.1	65%	0.645	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.9	-36.7	178.1	173.2	-179.1	172.9	-160.2	-1.6	113.1	S404 F406	R381-S404 PolarHBondContact N-OG 3.08Å; R381-F406 HydrophobicContact CG-CB 4.1Å
382	S	95.4	Very high	96.4	Very high	40 Å²	40	55.8 Å²	55.8	28%	0.28	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-10.1	-177.1	52.7	0	0	0	0	114.4	Q361 D380	Q361-S382 PolarHBondContact NE2-O 3.24Å; D380-S382 PolarHBondContact O-N 3.22Å
383	T	96.5	Very high	96.5	Very high	12 Å²	12	50.4 Å²	50.4	7%	0.074	25%	0.253	C	S	.	.	S	Bend	trans	-63.1	-52.9	-171.4	-47.1	0	0	0	0	111.3	I355 Q361 I379 D380	I355-T383 HydrophobicContact CB-CG2 4.3Å; I355-T383 HydrophobicContact CD1-CG2 4.19Å; I355-T383 HydrophobicContact CG2-CG2 4.27Å; Q361-T383 PolarHBondContact NE2-O 2.63Å; Q361-T383 VanDerWaalsContact NE2-O 3.09Å; I379-T383 HydrophobicContact CD1-CG2 4.45Å; I379-T383 HydrophobicContact CG2-CG2 4.29Å; D380-T383 PolarHBondContact N-OG1 3.44Å; D380-T383 VanDerWaalsContact O-CB 3.29Å; D380-T383 WeakPolarHBondContact O-CB 3.16Å; D380-T383 PolarHBondContact O-N 2.83Å; D380-T383 PolarHBondContact O-OG1 2.92Å
384	F	96.9	Very high	96.6	Very high	1 Å²	1	49.5 Å²	49.5	0%	0.004	25%	0.248	C	C	.	.	S	Bend	trans	-109.1	8.2	-178.2	-56.7	-69.2	0	0	0	113.2	L360 I369 L371 I379 G386 L387 L390 I393 L395 F408 L411	L360-F384 HydrophobicContact CD1-CD1 3.75Å; L360-F384 HydrophobicContact CD1-CE1 3.62Å; I369-F384 HydrophobicContact CD1-CE1 4.29Å; I369-F384 HydrophobicContact CG2-CE1 4.11Å; L371-F384 HydrophobicContact CD1-CZ 4.37Å; I379-F384 HydrophobicContact CD1-CE2 4.18Å; I379-F384 HydrophobicContact CG2-CD2 3.9Å; I379-F384 HydrophobicContact CG2-CE2 3.64Å; F384-G386 PolarHBondContact O-N 2.83Å; F384-L387 HydrophobicContact CB-CD1 4.25Å; F384-L387 HydrophobicContact CD1-CD1 4.05Å; F384-L387 WeakPolarHBondContact O-CB 3.39Å; F384-L387 WeakPolarHBondContact O-CG 3.4Å; F384-L387 PolarHBondContact O-N 3.29Å; F384-L390 HydrophobicContact CB-CD2 4.4Å; F384-L390 HydrophobicContact CD1-CD2 3.87Å; F384-L390 HydrophobicContact CG-CD2 4.34Å; F384-I393 HydrophobicContact CD2-CD1 4.41Å; F384-I393 HydrophobicContact CG-CD1 4.42Å; F384-I393 HydrophobicContact CZ-CG2 4.18Å; F384-L395 HydrophobicContact CE2-CD1 4.3Å; F384-L395 HydrophobicContact CZ-CD1 4.39Å; F384-F408 AromaticContact CD2-CD1 3.88Å; F384-F408 HydrophobicContact CD2-CD1 3.88Å; F384-F408 AromaticContact CD2-CE1 3.68Å; F384-F408 HydrophobicContact CD2-CE1 3.68Å; F384-F408 HydrophobicContact CE2-CD1 4.28Å; F384-F408 AromaticContact CE2-CE1 3.6Å; F384-F408 HydrophobicContact CE2-CE1 3.6Å; F384-L411 HydrophobicContact CB-CD1 4.13Å; F384-L411 HydrophobicContact CB-CD2 4.32Å; F384-L411 WeakPolarHBondContact O-CD2 3.4Å
385	A	95.7	Very high	96.8	Very high	41 Å²	41	49.5 Å²	49.5	34%	0.339	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	133.9	-179	0	0	0	0	0	111.4	Q361 L387	Q361-A385 WeakPolarHBondContact CG-O 3.17Å; Q361-A385 PolarHBondContact NE2-O 3.25Å; A385-L387 VanDerWaalsContact C-N 3.33Å
386	G	93.6	Very high	96.9	Very high	65 Å²	65	44.2 Å²	44.2	67%	0.67	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.3	-1.2	178.2	0	0	0	0	0	115.7	F384 E388	F384-G386 PolarHBondContact O-N 2.83Å; G386-E388 VanDerWaalsContact C-N 3.3Å; G386-E388 PolarHBondContact O-N 3.4Å; G386-E388 VanDerWaalsContact O-N 3.14Å
387	L	96.1	Very high	97	Very high	3 Å²	3	47 Å²	47	2%	0.016	24%	0.24	C	C	.	.			trans	-88.6	63.3	178.9	-55.6	177	0	0	0	111.2	L360 L366 F384 A385 H389 L390 L411	L360-L387 HydrophobicContact CB-CD1 3.79Å; L360-L387 HydrophobicContact CD1-CD1 4.36Å; L360-L387 WeakPolarHBondContact O-CD2 3.48Å; L366-L387 HydrophobicContact CD2-CD1 4.48Å; F384-L387 HydrophobicContact CB-CD1 4.25Å; F384-L387 HydrophobicContact CD1-CD1 4.05Å; F384-L387 WeakPolarHBondContact O-CB 3.39Å; F384-L387 WeakPolarHBondContact O-CG 3.4Å; F384-L387 PolarHBondContact O-N 3.29Å; A385-L387 VanDerWaalsContact C-N 3.33Å; L387-H389 PolarHBondContact O-N 2.78Å; L387-L390 HydrophobicContact CB-CB 4.04Å; L387-L390 HydrophobicContact CB-CD2 4.22Å; L387-L390 HydrophobicContact CD1-CD2 4.11Å; L387-L390 WeakPolarHBondContact O-CB 3.39Å; L387-L390 PolarHBondContact O-N 3.27Å; L387-L411 HydrophobicContact CB-CD2 4.25Å; L387-L411 VanDerWaalsContact O-CD2 3.29Å; L387-L411 WeakPolarHBondContact O-CD2 3.38Å
388	E	93.9	Very high	97	Very high	97 Å²	97	41.9 Å²	41.9	45%	0.453	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-25.4	-171.1	-60	-170.9	-178.8	0	0	113.7	G386 L390 S413	G386-E388 VanDerWaalsContact C-N 3.3Å; G386-E388 PolarHBondContact O-N 3.4Å; G386-E388 VanDerWaalsContact O-N 3.14Å; E388-L390 VanDerWaalsContact C-N 3.33Å; E388-S413 WeakPolarHBondContact O-CB 3.47Å; E388-S413 PolarHBondContact O-N 3.23Å; E388-S413 PolarHBondContact O-OG 3.08Å
389	H	95.8	Very high	97	Very high	108 Å²	108	36.3 Å²	36.3	50%	0.5	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-6.9	177.2	-66.5	-60.2	0	0	0	114.3	P364 L366 L387 Y391	P364-H389 PolarHBondContact O-CD2 2.68Å; L366-H389 CarbonylContact O-C 3.44Å; L387-H389 PolarHBondContact O-N 2.78Å; H389-Y391 PolarHBondContact O-N 2.71Å; H389-Y391 VanDerWaalsContact O-N 3.08Å
390	L	97.7	Very high	97	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.201	C	C	.	.			trans	-66.1	112.5	-176.2	-161.5	65.4	0	0	0	110.2	L366 I369 F384 L387 E388 I393 L411 S413 L414	L366-L390 HydrophobicContact CB-CD1 4.49Å; L366-L390 HydrophobicContact CD2-CD1 4.08Å; L366-L390 HydrophobicContact CG-CD1 3.94Å; L366-L390 WeakPolarHBondContact O-CA 3.48Å; L366-L390 PolarHBondContact O-N 3.03Å; I369-L390 HydrophobicContact CB-CD1 4.44Å; I369-L390 HydrophobicContact CG2-CD1 4.13Å; I369-L390 HydrophobicContact CG2-CD2 4.44Å; F384-L390 HydrophobicContact CB-CD2 4.4Å; F384-L390 HydrophobicContact CD1-CD2 3.87Å; F384-L390 HydrophobicContact CG-CD2 4.34Å; L387-L390 HydrophobicContact CB-CB 4.04Å; L387-L390 HydrophobicContact CB-CD2 4.22Å; L387-L390 HydrophobicContact CD1-CD2 4.11Å; L387-L390 WeakPolarHBondContact O-CB 3.39Å; L387-L390 PolarHBondContact O-N 3.27Å; E388-L390 VanDerWaalsContact C-N 3.33Å; L390-I393 HydrophobicContact CD2-CD1 3.6Å; L390-I393 HydrophobicContact CD2-CG1 3.56Å; L390-I393 HydrophobicContact CG-CD1 4.32Å; L390-I393 HydrophobicContact CG-CG1 3.95Å; L390-L411 HydrophobicContact CD2-CD1 4.45Å; L390-S413 CarbonylContact O-C 3.38Å; L390-L414 WeakPolarHBondContact O-CA 3.49Å; L390-L414 PolarHBondContact O-N 2.74Å
391	Y	97.9	Very high	97.1	Very high	26 Å²	26	40.9 Å²	40.9	10%	0.102	22%	0.215	C	C	.	.			trans	-95.7	-36.4	-175.9	-178.1	-94.3	0	0	0	112.6	A367 H389 S413 R415 H416 L545	A367-Y391 WeakPolarHBondContact O-CA 3.06Å; A367-Y391 WeakPolarHBondContact O-CB 3.38Å; A367-Y391 PolarHBondContact O-N 3.05Å; H389-Y391 PolarHBondContact O-N 2.71Å; H389-Y391 VanDerWaalsContact O-N 3.08Å; Y391-S413 WeakPolarHBondContact CA-O 3.35Å; Y391-S413 VanDerWaalsContact CD2-O 3.31Å; Y391-S413 WeakPolarHBondContact CD2-O 3.47Å; Y391-R415 HydrophobicContact CD2-CB 4.22Å; Y391-R415 HydrophobicContact CD2-CG 3.76Å; Y391-R415 HydrophobicContact CE1-CB 4.29Å; Y391-R415 HydrophobicContact CE2-CB 3.76Å; Y391-R415 HydrophobicContact CE2-CG 3.24Å; Y391-R415 PolarHBondContact O-N 2.78Å; Y391-H416 AromaticContact CD1-CD2 3.99Å; Y391-H416 AromaticContact CE1-CD2 3.32Å; Y391-H416 WeakPolarHBondContact CE1-CD2 3.41Å; Y391-H416 AromaticContact CE1-NE2 3.58Å; Y391-H416 AromaticContact CZ-CD2 3.96Å; Y391-H416 AromaticContact CZ-NE2 3.82Å; Y391-H416 PolarHBondContact O-N 3.14Å; Y391-H416 VanDerWaalsContact O-N 3.14Å; Y391-H416 PolarHBondContact OH-NE2 3.09Å; Y391-L545 HydrophobicContact CD1-CB 3.93Å; Y391-L545 HydrophobicContact CD1-CD1 4.43Å; Y391-L545 HydrophobicContact CD1-CD2 4.43Å; Y391-L545 HydrophobicContact CE1-CB 3.54Å; Y391-L545 HydrophobicContact CE1-CD1 4.01Å; Y391-L545 HydrophobicContact CE1-CG 4.29Å; Y391-L545 HydrophobicContact CE2-CD1 4.34Å
392	S	98.4	Very high	97.1	Very high	14 Å²	14	38.4 Å²	38.4	10%	0.098	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	131.3	-175.6	-177.8	0	0	0	0	112.8	A367 T368 I369 H416	A367-S392 PolarHBondContact O-N 2.97Å; T368-S392 WeakPolarHBondContact CA-O 3.42Å; I369-S392 PolarHBondContact N-O 3.47Å; S392-H416 WeakPolarHBondContact CA-O 3Å
393	I	98.7	Very high	97.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	118.1	174.4	-61.5	161.5	0	0	0	109	I369 F384 L390 L395 F408 L411 L414 H416 L417 D418	I369-I393 HydrophobicContact CG2-CB 4.16Å; I369-I393 HydrophobicContact CG2-CG1 3.81Å; I369-I393 HydrophobicContact CG2-CG2 4.06Å; I369-I393 WeakPolarHBondContact O-CA 3.41Å; F384-I393 HydrophobicContact CD2-CD1 4.41Å; F384-I393 HydrophobicContact CG-CD1 4.42Å; F384-I393 HydrophobicContact CZ-CG2 4.18Å; L390-I393 HydrophobicContact CD2-CD1 3.6Å; L390-I393 HydrophobicContact CD2-CG1 3.56Å; L390-I393 HydrophobicContact CG-CD1 4.32Å; L390-I393 HydrophobicContact CG-CG1 3.95Å; I393-L395 HydrophobicContact CG2-CD1 3.68Å; I393-L395 HydrophobicContact CG2-CG 3.74Å; I393-F408 HydrophobicContact CD1-CD1 3.88Å; I393-F408 HydrophobicContact CD1-CE1 3.97Å; I393-L411 HydrophobicContact CD1-CD1 3.97Å; I393-L414 HydrophobicContact CD1-CD1 3.83Å; I393-L414 HydrophobicContact CD1-CD2 4.23Å; I393-L414 HydrophobicContact CG1-CD1 4.03Å; I393-H416 PolarHBondContact N-O 3.08Å; I393-L417 HydrophobicContact CB-CD1 3.78Å; I393-L417 HydrophobicContact CD1-CD1 4.45Å; I393-L417 HydrophobicContact CG2-CD1 3.81Å; I393-L417 CarbonylContact O-C 3.56Å; I393-L417 WeakPolarHBondContact O-CA 3.39Å; I393-D418 PolarHBondContact O-N 3.3Å
394	D	98.7	Very high	97.3	Very high	32 Å²	32	36.9 Å²	36.9	17%	0.171	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	112.4	168	-170.9	-14.4	0	0	0	110	I369 L371 S396 D418	I369-D394 PolarHBondContact O-N 3.06Å; L371-D394 CarbonylContact C-O 3.23Å; L371-D394 WeakPolarHBondContact CA-O 3.35Å; L371-D394 WeakPolarHBondContact CB-O 3.28Å; L371-D394 PolarHBondContact N-O 3.47Å; D394-S396 WeakPolarHBondContact OD1-CB 3.28Å; D394-S396 PolarHBondContact OD1-N 3.41Å; D394-S396 PolarHBondContact OD1-OG 3.01Å; D394-D418 HydrophobicContact CB-CB 4.46Å
395	L	98.6	Very high	97.3	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.21	C	C	.	.			trans	-116.2	16.3	174.4	-76.1	162.5	0	0	0	111.2	L371 I376 I379 F384 I393 N398 L400 F408 L417 D418 I419 N422	L371-L395 HydrophobicContact CB-CD2 3.96Å; L371-L395 HydrophobicContact CD1-CD2 3.73Å; I376-L395 HydrophobicContact CD1-CD2 4.09Å; I379-L395 HydrophobicContact CD1-CD1 4.01Å; I379-L395 HydrophobicContact CD1-CD2 3.92Å; I379-L395 HydrophobicContact CG1-CD1 3.93Å; F384-L395 HydrophobicContact CE2-CD1 4.3Å; F384-L395 HydrophobicContact CZ-CD1 4.39Å; I393-L395 HydrophobicContact CG2-CD1 3.68Å; I393-L395 HydrophobicContact CG2-CG 3.74Å; L395-N398 PolarHBondContact O-ND2 3.18Å; L395-L400 HydrophobicContact CB-CD1 3.96Å; L395-L400 HydrophobicContact CD1-CD1 4.26Å; L395-L400 HydrophobicContact CG-CD1 4.5Å; L395-F408 HydrophobicContact CD1-CE1 4.19Å; L395-F408 HydrophobicContact CD1-CZ 3.96Å; L395-L417 HydrophobicContact CD1-CD1 4.44Å; L395-D418 CarbonylContact C-O 3.39Å; L395-D418 VanDerWaalsContact CA-O 3.32Å; L395-D418 WeakPolarHBondContact CA-O 3.42Å; L395-D418 WeakPolarHBondContact CB-O 3.47Å; L395-D418 PolarHBondContact N-O 2.74Å; L395-I419 HydrophobicContact CB-CG2 4.19Å; L395-I419 HydrophobicContact CD1-CG2 4.29Å; L395-N422 PolarHBondContact O-ND2 3.32Å
396	S	98.4	Very high	97.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	153.7	-174.6	68	0	0	0	0	112.5	R372 N373 D394 N398 D418 S420	R372-S396 VanDerWaalsContact CA-O 3.27Å; R372-S396 WeakPolarHBondContact CA-O 3.29Å; R372-S396 WeakPolarHBondContact CD-OG 3.41Å; R372-S396 WeakPolarHBondContact CG-OG 3.4Å; N373-S396 PolarHBondContact N-O 3.11Å; D394-S396 WeakPolarHBondContact OD1-CB 3.28Å; D394-S396 PolarHBondContact OD1-N 3.41Å; D394-S396 PolarHBondContact OD1-OG 3.01Å; S396-N398 VanDerWaalsContact C-N 3.27Å; S396-N398 PolarHBondContact O-N 2.8Å; S396-N398 PolarHBondContact O-ND2 3.27Å; S396-D418 WeakPolarHBondContact CB-OD1 3.43Å; S396-D418 PolarHBondContact N-O 2.99Å; S396-S420 WeakPolarHBondContact CA-O 3.41Å
397	N	97.9	Very high	97.5	Very high	62 Å²	62	37.3 Å²	37.3	33%	0.332	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	38.9	177.7	-153.1	56.4	0	0	0	113.5	N373 S420 R421	N373-N397 VanDerWaalsContact CA-O 3.31Å; N373-N397 WeakPolarHBondContact CA-O 3.32Å; N373-N397 PolarHBondContact OD1-ND2 2.89Å; N397-S420 PolarHBondContact N-O 3.46Å; N397-R421 WeakPolarHBondContact CA-O 3.43Å; N397-R421 HydrophobicContact CB-CB 4.35Å; N397-R421 PolarHBondContact N-O 3.2Å
398	N	97.9	Very high	97.6	Very high	17 Å²	17	37.1 Å²	37.1	9%	0.091	18%	0.176	C	C	.	.	S	Bend	trans	-103.3	-166.2	171.4	-87.6	-84.8	0	0	0	109.8	L371 N374 K375 I376 L395 S396 L400 R421 N422	L371-N398 PolarHBondContact O-ND2 2.83Å; N374-N398 VanDerWaalsContact CA-OD1 3.28Å; N374-N398 WeakPolarHBondContact CA-OD1 3.49Å; N374-N398 WeakPolarHBondContact CB-OD1 2.91Å; N374-N398 PolarHBondContact N-OD1 2.78Å; N374-N398 PolarHBondContact O-OD1 2.99Å; K375-N398 PolarHBondContact N-OD1 2.84Å; I376-N398 WeakPolarHBondContact CB-OD1 3.3Å; I376-N398 PolarHBondContact N-OD1 2.88Å; L395-N398 PolarHBondContact O-ND2 3.18Å; S396-N398 VanDerWaalsContact C-N 3.27Å; S396-N398 PolarHBondContact O-N 2.8Å; S396-N398 PolarHBondContact O-ND2 3.27Å; N398-L400 HydrophobicContact CB-CG 4.19Å; N398-R421 PolarHBondContact N-O 2.78Å; N398-N422 VanDerWaalsContact CA-OD1 3.26Å; N398-N422 WeakPolarHBondContact CA-OD1 3.46Å; N398-N422 WeakPolarHBondContact CB-OD1 3.49Å; N398-N422 PolarHBondContact N-OD1 3.46Å; N398-N422 PolarHBondContact O-OD1 3.09Å
399	G	97.7	Very high	97.7	Very high	14 Å²	14	33.6 Å²	33.6	14%	0.144	16%	0.162	C	C	.	.			trans	-112.7	34.2	172.6	0	0	0	0	0	112.1	I376 K377 R401 N422	I376-G399 CarbonylContact O-C 3.2Å; I376-G399 PolarHBondContact O-N 2.84Å; I376-G399 VanDerWaalsContact O-N 3.12Å; K377-G399 WeakPolarHBondContact CA-O 3.37Å; G399-R401 PolarHBondContact O-N 3.22Å; G399-R401 VanDerWaalsContact O-N 3.17Å; G399-N422 PolarHBondContact N-OD1 2.92Å
400	L	98.5	Very high	97.7	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.155	C	C	.	.			trans	-63.6	117.5	-173.9	-68.4	175	0	0	0	110.3	I376 K377 I379 L395 N398 I419 N422 E423 L424	I376-L400 HydrophobicContact CB-CD2 4.24Å; I376-L400 HydrophobicContact CG2-CD2 3.71Å; I376-L400 PolarHBondContact O-N 3.03Å; K377-L400 WeakPolarHBondContact O-CA 3.4Å; I379-L400 HydrophobicContact CD1-CD2 4.17Å; I379-L400 HydrophobicContact CG1-CD1 4.33Å; I379-L400 HydrophobicContact CG1-CD2 3.88Å; L395-L400 HydrophobicContact CB-CD1 3.96Å; L395-L400 HydrophobicContact CD1-CD1 4.26Å; L395-L400 HydrophobicContact CG-CD1 4.5Å; N398-L400 HydrophobicContact CB-CG 4.19Å; L400-I419 HydrophobicContact CD1-CG2 4.5Å; L400-N422 HydrophobicContact CB-CB 4.01Å; L400-N422 VanDerWaalsContact CB-OD1 3.24Å; L400-N422 WeakPolarHBondContact CB-OD1 3.44Å; L400-N422 WeakPolarHBondContact CG-OD1 3.27Å; L400-N422 PolarHBondContact N-OD1 3.15Å; L400-E423 CarbonylContact O-C 3.4Å; L400-E423 VanDerWaalsContact O-CA 3.25Å; L400-E423 WeakPolarHBondContact O-CA 3.31Å; L400-E423 PolarHBondContact O-N 3.05Å; L400-L424 HydrophobicContact CB-CD2 4.08Å; L400-L424 HydrophobicContact CB-CG 4.21Å; L400-L424 WeakPolarHBondContact O-CG 3.48Å; L400-L424 PolarHBondContact O-N 3.07Å; L400-L424 VanDerWaalsContact O-N 3.1Å
401	R	98.1	Very high	97.6	Very high	156 Å²	156	31 Å²	31	59%	0.589	16%	0.156	S	C	*	.			trans	-103.2	-21.6	175	-66.9	175	-177.5	-164.3	-7.7	112.6	K377 G399 E423	K377-R401 PolarHBondContact O-N 3.07Å; G399-R401 PolarHBondContact O-N 3.22Å; G399-R401 VanDerWaalsContact O-N 3.17Å; R401-E423 HydrophobicContact CG-CB 3.85Å; R401-E423 WeakPolarHBondContact CG-OE2 3.06Å; R401-E423 IonicContact CZ-OE2 3.17Å; R401-E423 IonicContact NE-OE2 3.07Å; R401-E423 PolarHBondContact NE-OE2 3.38Å; R401-E423 IonicContact NH2-OE1 3.77Å; R401-E423 IonicContact NH2-OE2 2.89Å; R401-E423 PolarHBondContact NH2-OE2 3.24Å
402	K	97.8	Very high	97.5	Very high	118 Å²	118	36.2 Å²	36.2	51%	0.513	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	131	-175.6	-173.3	171.4	-177.6	175.8	0	111.5	R378 I379	R378-K402 WeakPolarHBondContact CA-O 3.44Å; R378-K402 HydrophobicContact CB-CB 4.45Å; R378-K402 WeakPolarHBondContact CB-O 3.38Å; I379-K402 PolarHBondContact N-O 3.23Å; I379-K402 VanDerWaalsContact N-O 3.11Å
403	I	98.2	Very high	97.3	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	121.6	163.5	-70.8	161.1	0	0	0	105.4	I379 A407 F408 I419 L424 L427 T431	I379-I403 HydrophobicContact CB-CG1 4.31Å; I379-I403 HydrophobicContact CG1-CG1 4.47Å; I403-A407 HydrophobicContact CG2-CB 3.42Å; I403-A407 VanDerWaalsContact CG2-CB 3.42Å; I403-F408 HydrophobicContact CD1-CE2 4.02Å; I403-F408 HydrophobicContact CD1-CZ 4.47Å; I403-F408 HydrophobicContact CG1-CE2 4.4Å; I403-F408 HydrophobicContact CG2-CD2 4.15Å; I403-F408 HydrophobicContact CG2-CE2 3.69Å; I403-F408 HydrophobicContact CG2-CZ 4.47Å; I403-I419 HydrophobicContact CD1-CD1 4.09Å; I403-I419 HydrophobicContact CD1-CG2 4.2Å; I403-L424 HydrophobicContact CD1-CD1 3.56Å; I403-L424 HydrophobicContact CD1-CD2 3.86Å; I403-L424 HydrophobicContact CD1-CG 4.38Å; I403-L424 HydrophobicContact CG1-CD2 3.99Å; I403-L427 HydrophobicContact CB-CD2 3.95Å; I403-L427 HydrophobicContact CD1-CD2 3.69Å; I403-L427 HydrophobicContact CG1-CD2 4.39Å; I403-L427 HydrophobicContact CG2-CD2 4.33Å; I403-T431 HydrophobicContact CG2-CG2 3.8Å
404	S	96.8	Very high	97.3	Very high	19 Å²	19	37.5 Å²	37.5	13%	0.133	18%	0.184	C	C	.	.			trans	-69.6	160.1	-176.7	73.6	0	0	0	0	111.4	I379 D380 R381 F406 A407	I379-S404 PolarHBondContact O-N 3.18Å; D380-S404 VanDerWaalsContact C-OG 3.27Å; D380-S404 WeakPolarHBondContact CA-OG 3.46Å; R381-S404 PolarHBondContact N-OG 3.08Å; S404-F406 PolarHBondContact O-N 2.87Å; S404-A407 WeakPolarHBondContact O-CB 3.04Å; S404-A407 PolarHBondContact O-N 2.91Å; S404-A407 VanDerWaalsContact O-N 3.08Å
405	N	96.3	Very high	97.2	Very high	48 Å²	48	37.4 Å²	37.4	26%	0.257	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	139.9	168.1	-152.6	10.5	0	0	0	109.9	A407 E428 N430	N405-A407 PolarHBondContact O-N 2.87Å; N405-E428 HydrophobicContact CB-CB 3.72Å; N405-E428 HydrophobicContact CB-CG 4.2Å; N405-N430 PolarHBondContact ND2-ND2 3.4Å; N405-N430 WeakPolarHBondContact OD1-CA 3.33Å; N405-N430 WeakPolarHBondContact OD1-CB 3.31Å; N405-N430 PolarHBondContact OD1-N 2.92Å
406	F	97.4	Very high	97.2	Very high	66 Å²	66	38.6 Å²	38.6	29%	0.289	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	17.4	-175.8	-51.2	-84.6	0	0	0	116.1	R381 S404 F408 S409 N430 D433	R381-F406 HydrophobicContact CG-CB 4.1Å; S404-F406 PolarHBondContact O-N 2.87Å; F406-F408 VanDerWaalsContact C-N 3.29Å; F406-F408 PolarHBondContact O-N 3.06Å; F406-S409 PolarHBondContact O-N 2.79Å; F406-S409 PolarHBondContact O-OG 2.77Å; F406-N430 VanDerWaalsContact CA-O 3.29Å; F406-N430 WeakPolarHBondContact CA-O 3.31Å; F406-N430 HydrophobicContact CD1-CB 3.63Å; F406-N430 HydrophobicContact CD2-CB 4.28Å; F406-N430 HydrophobicContact CE1-CB 3.27Å; F406-N430 HydrophobicContact CE2-CB 3.97Å; F406-N430 HydrophobicContact CG-CB 4.13Å; F406-N430 HydrophobicContact CZ-CB 3.48Å; F406-N430 VanDerWaalsContact CZ-CB 3.48Å; F406-N430 WeakPolarHBondContact CZ-ND2 3.49Å; F406-N430 PolarHBondContact N-O 3.37Å; F406-D433 HydrophobicContact CD1-CB 4.17Å; F406-D433 HydrophobicContact CE1-CB 4.24Å
407	A	97.6	Very high	97.2	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.008	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-34.5	179.6	0	0	0	0	0	114.5	I379 I403 S404 N405	I379-A407 HydrophobicContact CG2-CB 3.96Å; I403-A407 HydrophobicContact CG2-CB 3.42Å; I403-A407 VanDerWaalsContact CG2-CB 3.42Å; S404-A407 WeakPolarHBondContact O-CB 3.04Å; S404-A407 PolarHBondContact O-N 2.91Å; S404-A407 VanDerWaalsContact O-N 3.08Å; N405-A407 PolarHBondContact O-N 2.87Å
408	F	97.8	Very high	97.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.6	25.1	177.8	-55.8	-65.2	0	0	0	111.3	I379 F384 I393 L395 I403 F406 L411 L414 L417 T431 F432 S435	I379-F408 HydrophobicContact CG2-CE1 4.3Å; I379-F408 HydrophobicContact CG2-CZ 4.33Å; F384-F408 AromaticContact CD2-CD1 3.88Å; F384-F408 HydrophobicContact CD2-CD1 3.88Å; F384-F408 AromaticContact CD2-CE1 3.68Å; F384-F408 HydrophobicContact CD2-CE1 3.68Å; F384-F408 HydrophobicContact CE2-CD1 4.28Å; F384-F408 AromaticContact CE2-CE1 3.6Å; F384-F408 HydrophobicContact CE2-CE1 3.6Å; I393-F408 HydrophobicContact CD1-CD1 3.88Å; I393-F408 HydrophobicContact CD1-CE1 3.97Å; L395-F408 HydrophobicContact CD1-CE1 4.19Å; L395-F408 HydrophobicContact CD1-CZ 3.96Å; I403-F408 HydrophobicContact CD1-CE2 4.02Å; I403-F408 HydrophobicContact CD1-CZ 4.47Å; I403-F408 HydrophobicContact CG1-CE2 4.4Å; I403-F408 HydrophobicContact CG2-CD2 4.15Å; I403-F408 HydrophobicContact CG2-CE2 3.69Å; I403-F408 HydrophobicContact CG2-CZ 4.47Å; F406-F408 VanDerWaalsContact C-N 3.29Å; F406-F408 PolarHBondContact O-N 3.06Å; F408-L411 HydrophobicContact CB-CD1 4.02Å; F408-L411 HydrophobicContact CD1-CD1 4.14Å; F408-L414 HydrophobicContact CB-CD2 4.47Å; F408-L417 HydrophobicContact CD2-CD2 3.91Å; F408-L417 HydrophobicContact CE1-CD1 4.03Å; F408-L417 HydrophobicContact CE2-CD1 4.39Å; F408-L417 HydrophobicContact CE2-CD2 3.7Å; F408-L417 HydrophobicContact CG-CD2 4.43Å; F408-L417 HydrophobicContact CZ-CD1 3.89Å; F408-L417 HydrophobicContact CZ-CD2 4.05Å; F408-T431 CarbonylContact C-O 3.51Å; F408-T431 WeakPolarHBondContact CA-O 3.47Å; F408-T431 WeakPolarHBondContact CB-O 3.42Å; F408-T431 HydrophobicContact CD2-CG2 3.7Å; F408-T431 HydrophobicContact CE2-CG2 4.35Å; F408-T431 PolarHBondContact N-O 3.37Å; F408-T431 VanDerWaalsContact N-O 3.14Å; F408-F432 HydrophobicContact CB-CD1 4.28Å; F408-F432 HydrophobicContact CD2-CD1 4.43Å; F408-F432 AromaticContact CD2-CE1 3.93Å; F408-F432 HydrophobicContact CD2-CE1 3.93Å; F408-S435 WeakPolarHBondContact O-CB 3.23Å; F408-S435 PolarHBondContact O-OG 2.7Å
409	S	96.3	Very high	97.3	Very high	23 Å²	23	35.4 Å²	35.4	16%	0.161	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	151.3	-177.7	67.3	0	0	0	0	112.4	F406 L411 D433	F406-S409 PolarHBondContact O-N 2.79Å; F406-S409 PolarHBondContact O-OG 2.77Å; S409-L411 PolarHBondContact O-N 2.8Å; S409-D433 CarbonylContact C-O 3.42Å; S409-D433 WeakPolarHBondContact CA-O 3.39Å; S409-D433 WeakPolarHBondContact CB-O 3.48Å
410	S	94.8	Very high	97.3	Very high	52 Å²	52	34.7 Å²	34.7	36%	0.364	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	18.3	178.9	-53.7	0	0	0	0	115.2	R412 D433 S435	S410-R412 VanDerWaalsContact C-N 3.32Å; S410-R412 PolarHBondContact O-N 3.25Å; S410-R412 VanDerWaalsContact O-N 3.12Å; S410-D433 PolarHBondContact N-O 2.85Å; S410-S435 PolarHBondContact N-OG 3.13Å
411	L	96.6	Very high	97.3	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	17%	0.172	C	C	.	.			trans	-85.3	76.4	172.3	-58.2	-179.7	0	0	0	109	F384 L387 L390 I393 F408 S409 S413 L414 S435	F384-L411 HydrophobicContact CB-CD1 4.13Å; F384-L411 HydrophobicContact CB-CD2 4.32Å; F384-L411 WeakPolarHBondContact O-CD2 3.4Å; L387-L411 HydrophobicContact CB-CD2 4.25Å; L387-L411 VanDerWaalsContact O-CD2 3.29Å; L387-L411 WeakPolarHBondContact O-CD2 3.38Å; L390-L411 HydrophobicContact CD2-CD1 4.45Å; I393-L411 HydrophobicContact CD1-CD1 3.97Å; F408-L411 HydrophobicContact CB-CD1 4.02Å; F408-L411 HydrophobicContact CD1-CD1 4.14Å; S409-L411 PolarHBondContact O-N 2.8Å; L411-S413 VanDerWaalsContact C-N 3.29Å; L411-S413 PolarHBondContact O-N 3.29Å; L411-L414 HydrophobicContact CB-CB 3.82Å; L411-L414 HydrophobicContact CB-CD2 4.16Å; L411-L414 HydrophobicContact CD1-CD2 3.9Å; L411-L414 VanDerWaalsContact O-CB 3.26Å; L411-L414 WeakPolarHBondContact O-CB 3.3Å; L411-L414 PolarHBondContact O-N 2.04Å; L411-S435 PolarHBondContact N-OG 3.45Å
412	R	94.4	Very high	97.4	Very high	136 Å²	136	30.3 Å²	30.3	51%	0.513	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-33.4	-169	-62.3	-177.2	-176.9	-171.3	3	113.4	S410 R415	S410-R412 VanDerWaalsContact C-N 3.32Å; S410-R412 PolarHBondContact O-N 3.25Å; S410-R412 VanDerWaalsContact O-N 3.12Å; R412-R415 PolarHBondContact O-NH1 2.79Å
413	S	95.9	Very high	97.4	Very high	40 Å²	40	28.7 Å²	28.7	28%	0.28	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-8	177.1	-66.9	0	0	0	0	114.3	E388 L390 Y391 L411 R415	E388-S413 WeakPolarHBondContact O-CB 3.47Å; E388-S413 PolarHBondContact O-N 3.23Å; E388-S413 PolarHBondContact O-OG 3.08Å; L390-S413 CarbonylContact O-C 3.38Å; Y391-S413 WeakPolarHBondContact CA-O 3.35Å; Y391-S413 VanDerWaalsContact CD2-O 3.31Å; Y391-S413 WeakPolarHBondContact CD2-O 3.47Å; L411-S413 VanDerWaalsContact C-N 3.29Å; L411-S413 PolarHBondContact O-N 3.29Å; S413-R415 VanDerWaalsContact C-NH1 3.25Å; S413-R415 PolarHBondContact O-N 3.4Å; S413-R415 PolarHBondContact O-NH1 2.96Å
414	L	97.7	Very high	97.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.141	C	C	.	.			trans	-64.7	125.7	-172.6	-171.1	64.6	0	0	0	111.3	L390 I393 F408 L411 H416 F436	L390-L414 WeakPolarHBondContact O-CA 3.49Å; L390-L414 PolarHBondContact O-N 2.74Å; I393-L414 HydrophobicContact CD1-CD1 3.83Å; I393-L414 HydrophobicContact CD1-CD2 4.23Å; I393-L414 HydrophobicContact CG1-CD1 4.03Å; F408-L414 HydrophobicContact CB-CD2 4.47Å; L411-L414 HydrophobicContact CB-CB 3.82Å; L411-L414 HydrophobicContact CB-CD2 4.16Å; L411-L414 HydrophobicContact CD1-CD2 3.9Å; L411-L414 VanDerWaalsContact O-CB 3.26Å; L411-L414 WeakPolarHBondContact O-CB 3.3Å; L411-L414 PolarHBondContact O-N 2.04Å; L414-H416 WeakPolarHBondContact CD1-O 3.06Å; L414-F436 HydrophobicContact CD2-CD2 4.06Å; L414-F436 HydrophobicContact CD2-CE2 3.32Å; L414-F436 HydrophobicContact CD2-CZ 3.77Å; L414-F436 HydrophobicContact CG-CD2 4.44Å; L414-F436 HydrophobicContact CG-CE1 4.46Å; L414-F436 HydrophobicContact CG-CE2 3.78Å; L414-F436 HydrophobicContact CG-CZ 3.76Å
415	R	97.4	Very high	97.5	Very high	30 Å²	30	32.8 Å²	32.8	11%	0.113	16%	0.157	C	C	.	.			trans	-124.7	-27.8	176.2	-60.9	-57.7	175.2	-97.6	3	113.1	Y391 R412 S413 F436 R443 S444	Y391-R415 HydrophobicContact CD2-CB 4.22Å; Y391-R415 HydrophobicContact CD2-CG 3.76Å; Y391-R415 HydrophobicContact CE1-CB 4.29Å; Y391-R415 HydrophobicContact CE2-CB 3.76Å; Y391-R415 HydrophobicContact CE2-CG 3.24Å; Y391-R415 PolarHBondContact O-N 2.78Å; R412-R415 PolarHBondContact O-NH1 2.79Å; S413-R415 VanDerWaalsContact C-NH1 3.25Å; S413-R415 PolarHBondContact O-N 3.4Å; S413-R415 PolarHBondContact O-NH1 2.96Å; R415-F436 WeakPolarHBondContact O-CE1 3.2Å; R415-R443 HydrophobicContact CB-CG 4.39Å; R415-R443 CarbonylContact O-C 3.59Å; R415-R443 WeakPolarHBondContact O-CA 3.34Å; R415-S444 PolarHBondContact O-N 3.19Å
416	H	98.2	Very high	97.5	Very high	25 Å²	25	33.5 Å²	33.5	12%	0.116	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	122.6	-178.1	-55.4	-60.7	0	0	0	111	Y391 S392 I393 L414 G442 S444	Y391-H416 AromaticContact CD1-CD2 3.99Å; Y391-H416 AromaticContact CE1-CD2 3.32Å; Y391-H416 WeakPolarHBondContact CE1-CD2 3.41Å; Y391-H416 AromaticContact CE1-NE2 3.58Å; Y391-H416 AromaticContact CZ-CD2 3.96Å; Y391-H416 AromaticContact CZ-NE2 3.82Å; Y391-H416 PolarHBondContact O-N 3.14Å; Y391-H416 VanDerWaalsContact O-N 3.14Å; Y391-H416 PolarHBondContact OH-NE2 3.09Å; S392-H416 WeakPolarHBondContact CA-O 3Å; I393-H416 PolarHBondContact N-O 3.08Å; L414-H416 WeakPolarHBondContact CD1-O 3.06Å; H416-G442 PolarHBondContact CE1-O 3.02Å; H416-S444 WeakPolarHBondContact CA-O 3.22Å; H416-S444 PolarHBondContact ND1-OG 3.3Å
417	L	98.6	Very high	97.5	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	122.5	169.5	174.7	64.4	0	0	0	108.8	I393 L395 F408 I419 F432 F436 S444 I445 Y446	I393-L417 HydrophobicContact CB-CD1 3.78Å; I393-L417 HydrophobicContact CD1-CD1 4.45Å; I393-L417 HydrophobicContact CG2-CD1 3.81Å; I393-L417 CarbonylContact O-C 3.56Å; I393-L417 WeakPolarHBondContact O-CA 3.39Å; L395-L417 HydrophobicContact CD1-CD1 4.44Å; F408-L417 HydrophobicContact CD2-CD2 3.91Å; F408-L417 HydrophobicContact CE1-CD1 4.03Å; F408-L417 HydrophobicContact CE2-CD1 4.39Å; F408-L417 HydrophobicContact CE2-CD2 3.7Å; F408-L417 HydrophobicContact CG-CD2 4.43Å; F408-L417 HydrophobicContact CZ-CD1 3.89Å; F408-L417 HydrophobicContact CZ-CD2 4.05Å; L417-I419 HydrophobicContact CD1-CG2 3.8Å; L417-I419 HydrophobicContact CD2-CD1 4.44Å; L417-I419 HydrophobicContact CD2-CG2 4.2Å; L417-I419 HydrophobicContact CG-CG2 3.92Å; L417-F432 HydrophobicContact CD2-CE1 3.72Å; L417-F432 HydrophobicContact CD2-CZ 4.29Å; L417-F436 HydrophobicContact CB-CE2 4.26Å; L417-F436 HydrophobicContact CB-CZ 3.64Å; L417-F436 HydrophobicContact CD2-CE2 4.48Å; L417-S444 PolarHBondContact N-O 3.38Å; L417-I445 HydrophobicContact CB-CG1 4.45Å; L417-I445 HydrophobicContact CB-CG2 4.49Å; L417-I445 HydrophobicContact CD2-CG2 4.28Å; L417-I445 CarbonylContact O-C 2.92Å; L417-I445 WeakPolarHBondContact O-CA 3.39Å; L417-Y446 PolarHBondContact O-N 3.45Å
418	D	98.8	Very high	97.4	Very high	11 Å²	11	33.5 Å²	33.5	6%	0.059	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	110.5	169.6	-163.1	-25.6	0	0	0	110.2	I393 D394 L395 S396 S420 Y446 R475	I393-D418 PolarHBondContact O-N 3.3Å; D394-D418 HydrophobicContact CB-CB 4.46Å; L395-D418 CarbonylContact C-O 3.39Å; L395-D418 VanDerWaalsContact CA-O 3.32Å; L395-D418 WeakPolarHBondContact CA-O 3.42Å; L395-D418 WeakPolarHBondContact CB-O 3.47Å; L395-D418 PolarHBondContact N-O 2.74Å; S396-D418 WeakPolarHBondContact CB-OD1 3.43Å; S396-D418 PolarHBondContact N-O 2.99Å; D418-S420 WeakPolarHBondContact OD1-CB 3.36Å; D418-S420 PolarHBondContact OD1-N 2.93Å; D418-S420 PolarHBondContact OD1-OG 3.01Å; D418-Y446 HydrophobicContact CB-CD2 4.23Å; D418-Y446 WeakPolarHBondContact OD2-CD2 3.32Å; D418-R475 IonicContact OD2-CZ 3.9Å; D418-R475 IonicContact OD2-NH1 3.66Å; D418-R475 PolarHBondContact OD2-NH1 3.24Å
419	I	98.6	Very high	97.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.181	C	C	.	.			trans	-118.1	19.4	172.4	52.7	173.8	0	0	0	110.9	L395 L400 I403 L417 N422 L424 L427 Y446 L447 N450 W452	L395-I419 HydrophobicContact CB-CG2 4.19Å; L395-I419 HydrophobicContact CD1-CG2 4.29Å; L400-I419 HydrophobicContact CD1-CG2 4.5Å; I403-I419 HydrophobicContact CD1-CD1 4.09Å; I403-I419 HydrophobicContact CD1-CG2 4.2Å; L417-I419 HydrophobicContact CD1-CG2 3.8Å; L417-I419 HydrophobicContact CD2-CD1 4.44Å; L417-I419 HydrophobicContact CD2-CG2 4.2Å; L417-I419 HydrophobicContact CG-CG2 3.92Å; I419-N422 PolarHBondContact O-ND2 2.73Å; I419-N422 VanDerWaalsContact O-ND2 3.07Å; I419-L424 HydrophobicContact CB-CD1 4.07Å; I419-L424 HydrophobicContact CD1-CD1 3.92Å; I419-L424 HydrophobicContact CG1-CD1 4.37Å; I419-L427 HydrophobicContact CD1-CD1 4.46Å; I419-Y446 CarbonylContact C-O 3.54Å; I419-Y446 WeakPolarHBondContact CG1-O 3.4Å; I419-Y446 PolarHBondContact N-O 2.97Å; I419-L447 HydrophobicContact CD1-CD2 3.61Å; I419-L447 HydrophobicContact CG1-CD2 3.89Å; I419-N450 PolarHBondContact O-ND2 3.38Å; I419-W452 HydrophobicContact CD1-CH2 4.47Å
420	S	98.5	Very high	97.3	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.19	C	C	.	.			trans	-67.4	158.5	178.4	68.9	0	0	0	0	112.4	S396 N397 D418 N422 Y446 C448 R475	S396-S420 WeakPolarHBondContact CA-O 3.41Å; N397-S420 PolarHBondContact N-O 3.46Å; D418-S420 WeakPolarHBondContact OD1-CB 3.36Å; D418-S420 PolarHBondContact OD1-N 2.93Å; D418-S420 PolarHBondContact OD1-OG 3.01Å; S420-N422 PolarHBondContact O-ND2 3.33Å; S420-N422 VanDerWaalsContact O-ND2 3.14Å; S420-Y446 PolarHBondContact N-O 2.96Å; S420-Y446 VanDerWaalsContact N-O 3.1Å; S420-C448 CarbonylContact C-O 3.37Å; S420-C448 WeakPolarHBondContact CA-O 3.47Å; S420-C448 WeakPolarHBondContact CB-O 3.07Å; S420-R475 WeakPolarHBondContact OG-CD 3.39Å
421	R	98.5	Very high	97.4	Very high	53 Å²	53	36.2 Å²	36.2	20%	0.2	17%	0.173	C	C	.	.	S	Bend	trans	56.1	55.4	178.4	-49.8	-174.8	-171.3	104.1	-5.1	111.5	N397 N398 C448 N449 D477	N397-R421 WeakPolarHBondContact CA-O 3.43Å; N397-R421 HydrophobicContact CB-CB 4.35Å; N397-R421 PolarHBondContact N-O 3.2Å; N398-R421 PolarHBondContact N-O 2.78Å; R421-C448 PolarHBondContact N-O 3.34Å; R421-N449 CarbonylContact C-O 3.19Å; R421-N449 WeakPolarHBondContact CA-O 3.42Å; R421-N449 HydrophobicContact CB-CB 4.3Å; R421-N449 HydrophobicContact CG-CB 3.86Å; R421-N449 PolarHBondContact N-O 2.94Å; R421-D477 IonicContact CZ-OD2 2.66Å; R421-D477 IonicContact NH2-OD1 3.92Å; R421-D477 IonicContact NH2-OD2 2.65Å; R421-D477 PolarHBondContact NH2-OD2 3.14Å
422	N	98.7	Very high	97.4	Very high	11 Å²	11	36.7 Å²	36.7	6%	0.059	18%	0.175	C	C	.	.	S	Bend	trans	-131.6	-168.8	178.4	-86.9	-72.5	0	0	0	109.6	L395 N398 G399 L400 I419 S420 L424 N449 N450	L395-N422 PolarHBondContact O-ND2 3.32Å; N398-N422 VanDerWaalsContact CA-OD1 3.26Å; N398-N422 WeakPolarHBondContact CA-OD1 3.46Å; N398-N422 WeakPolarHBondContact CB-OD1 3.49Å; N398-N422 PolarHBondContact N-OD1 3.46Å; N398-N422 PolarHBondContact O-OD1 3.09Å; G399-N422 PolarHBondContact N-OD1 2.92Å; L400-N422 HydrophobicContact CB-CB 4.01Å; L400-N422 VanDerWaalsContact CB-OD1 3.24Å; L400-N422 WeakPolarHBondContact CB-OD1 3.44Å; L400-N422 WeakPolarHBondContact CG-OD1 3.27Å; L400-N422 PolarHBondContact N-OD1 3.15Å; I419-N422 PolarHBondContact O-ND2 2.73Å; I419-N422 VanDerWaalsContact O-ND2 3.07Å; S420-N422 PolarHBondContact O-ND2 3.33Å; S420-N422 VanDerWaalsContact O-ND2 3.14Å; N422-L424 HydrophobicContact CB-CD1 4.45Å; N422-L424 HydrophobicContact CB-CG 4.32Å; N422-N449 PolarHBondContact N-O 2.91Å; N422-N449 VanDerWaalsContact N-O 3.13Å; N422-N450 VanDerWaalsContact CA-OD1 3.29Å; N422-N450 WeakPolarHBondContact CA-OD1 3.4Å; N422-N450 WeakPolarHBondContact CB-OD1 3.43Å; N422-N450 PolarHBondContact N-OD1 3.24Å; N422-N450 PolarHBondContact O-OD1 2.79Å
423	E	98.4	Very high	97.5	Very high	84 Å²	84	33.3 Å²	33.3	39%	0.393	17%	0.167	S	C	.	.			trans	-113	28	179.8	-62.2	-179	-164.8	0	0	111.8	L400 R401 N450	L400-E423 CarbonylContact O-C 3.4Å; L400-E423 VanDerWaalsContact O-CA 3.25Å; L400-E423 WeakPolarHBondContact O-CA 3.31Å; L400-E423 PolarHBondContact O-N 3.05Å; R401-E423 HydrophobicContact CG-CB 3.85Å; R401-E423 WeakPolarHBondContact CG-OE2 3.06Å; R401-E423 IonicContact CZ-OE2 3.17Å; R401-E423 IonicContact NE-OE2 3.07Å; R401-E423 PolarHBondContact NE-OE2 3.38Å; R401-E423 IonicContact NH2-OE1 3.77Å; R401-E423 IonicContact NH2-OE2 2.89Å; R401-E423 PolarHBondContact NH2-OE2 3.24Å; E423-N450 PolarHBondContact N-OD1 3.28Å
424	L	98.6	Very high	97.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.178	C	C	.	.			trans	-74.5	129	-176.2	-63.8	166.7	0	0	0	111.1	L400 I403 I419 N422 N450 P451 W452	L400-L424 HydrophobicContact CB-CD2 4.08Å; L400-L424 HydrophobicContact CB-CG 4.21Å; L400-L424 WeakPolarHBondContact O-CG 3.48Å; L400-L424 PolarHBondContact O-N 3.07Å; L400-L424 VanDerWaalsContact O-N 3.1Å; I403-L424 HydrophobicContact CD1-CD1 3.56Å; I403-L424 HydrophobicContact CD1-CD2 3.86Å; I403-L424 HydrophobicContact CD1-CG 4.38Å; I403-L424 HydrophobicContact CG1-CD2 3.99Å; I419-L424 HydrophobicContact CB-CD1 4.07Å; I419-L424 HydrophobicContact CD1-CD1 3.92Å; I419-L424 HydrophobicContact CG1-CD1 4.37Å; N422-L424 HydrophobicContact CB-CD1 4.45Å; N422-L424 HydrophobicContact CB-CG 4.32Å; L424-N450 HydrophobicContact CB-CB 4.34Å; L424-N450 VanDerWaalsContact CB-OD1 3.29Å; L424-N450 WeakPolarHBondContact CB-OD1 3.48Å; L424-N450 PolarHBondContact N-OD1 3.17Å; L424-P451 CarbonylContact O-C 3.4Å; L424-P451 VanDerWaalsContact O-CD 3.24Å; L424-P451 WeakPolarHBondContact O-CD 3.2Å; L424-W452 HydrophobicContact CB-CE3 4.48Å; L424-W452 HydrophobicContact CB-CH2 3.59Å; L424-W452 HydrophobicContact CB-CZ2 4.17Å; L424-W452 HydrophobicContact CB-CZ3 3.77Å; L424-W452 HydrophobicContact CD1-CH2 3.9Å; L424-W452 HydrophobicContact CD1-CZ2 4.39Å; L424-W452 HydrophobicContact CG-CH2 4.38Å
425	K	98.2	Very high	97.3	Very high	107 Å²	107	37.1 Å²	37.1	47%	0.465	18%	0.182	S	C	.	.			trans	-100.8	-30.5	176.7	-67.9	-178.9	171.4	-158.6	0	112.9	P451 I453	K425-P451 WeakPolarHBondContact CA-O 3.27Å; K425-P451 HydrophobicContact CG-CG 4.01Å; K425-I453 HydrophobicContact CB-CD1 4.01Å; K425-I453 HydrophobicContact CB-CG1 4.01Å; K425-I453 HydrophobicContact CD-CD1 3.9Å; K425-I453 HydrophobicContact CG-CD1 4.21Å; K425-I453 HydrophobicContact CG-CG1 4.32Å; K425-I453 PolarHBondContact O-N 3.08Å
426	L	96.9	Very high	97.2	Very high	62 Å²	62	35.8 Å²	35.8	33%	0.325	18%	0.177	S	C	.	.			trans	-154.8	167.7	-178.7	65.9	85.2	0	0	0	111	L458	L426-L458 HydrophobicContact CB-CD1 4.13Å
427	L	97.5	Very high	96.8	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.01	19%	0.19	C	C	.	.			trans	-121.1	153.5	165.4	-65.5	179.7	0	0	0	109.8	I403 I419 F432 W452 W460 F461	I403-L427 HydrophobicContact CB-CD2 3.95Å; I403-L427 HydrophobicContact CD1-CD2 3.69Å; I403-L427 HydrophobicContact CG1-CD2 4.39Å; I403-L427 HydrophobicContact CG2-CD2 4.33Å; I419-L427 HydrophobicContact CD1-CD1 4.46Å; L427-F432 HydrophobicContact CD1-CE2 3.79Å; L427-F432 HydrophobicContact CD1-CZ 3.87Å; L427-W452 HydrophobicContact CD1-CH2 4.34Å; L427-W452 HydrophobicContact CD2-CH2 4.28Å; L427-W452 HydrophobicContact CD2-CZ3 4.46Å; L427-W452 HydrophobicContact CG-CH2 4.02Å; L427-W452 HydrophobicContact CG-CZ3 3.98Å; L427-W460 HydrophobicContact CB-CH2 4.29Å; L427-W460 HydrophobicContact CB-CZ2 3.68Å; L427-W460 WeakPolarHBondContact O-CZ2 3.33Å; L427-W460 PolarHBondContact O-NE1 3.38Å; L427-F461 HydrophobicContact CD1-CD1 4.04Å; L427-F461 HydrophobicContact CD1-CD2 4.21Å; L427-F461 HydrophobicContact CD1-CE1 3.67Å; L427-F461 HydrophobicContact CD1-CE2 3.89Å; L427-F461 HydrophobicContact CD1-CG 4.3Å; L427-F461 HydrophobicContact CD1-CZ 3.59Å
428	E	96.1	Very high	96.2	Very high	65 Å²	65	46 Å²	46	30%	0.304	22%	0.224	S	C	.	.			trans	-86.6	146.2	179.3	-65.5	-75.1	174.1	0	0	111.5	N405 N430 T431 W460	N405-E428 HydrophobicContact CB-CB 3.72Å; N405-E428 HydrophobicContact CB-CG 4.2Å; E428-N430 VanDerWaalsContact C-N 3.32Å; E428-N430 PolarHBondContact O-N 2.82Å; E428-T431 PolarHBondContact N-OG1 2.89Å; E428-T431 VanDerWaalsContact O-CB 3.28Å; E428-T431 WeakPolarHBondContact O-CB 3.2Å; E428-T431 PolarHBondContact O-N 2.84Å; E428-T431 PolarHBondContact O-OG1 3.36Å; E428-W460 VanDerWaalsContact O-CH2 3.26Å; E428-W460 WeakPolarHBondContact O-CH2 3.44Å; E428-W460 WeakPolarHBondContact O-CZ2 3.41Å
429	P	94.9	Very high	95.7	Very high	67 Å²	67	47.7 Å²	47.7	44%	0.435	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-35.1	-167.9	-31.3	36.5	0	0	0	118	W460	P429-W460 VanDerWaalsContact CA-CE2 3.46Å; P429-W460 HydrophobicContact CB-CD2 4.27Å; P429-W460 HydrophobicContact CB-CG 4.4Å; P429-W460 HydrophobicContact CG-CG 4.33Å; P429-W460 WeakPolarHBondContact O-CZ3 3.43Å
430	N	96.4	Very high	95.1	Very high	65 Å²	65	54.5 Å²	54.5	35%	0.348	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	24.7	-177.7	-46.5	-49.7	0	0	0	111.8	N405 F406 E428 F432 D433	N405-N430 PolarHBondContact ND2-ND2 3.4Å; N405-N430 WeakPolarHBondContact OD1-CA 3.33Å; N405-N430 WeakPolarHBondContact OD1-CB 3.31Å; N405-N430 PolarHBondContact OD1-N 2.92Å; F406-N430 VanDerWaalsContact CA-O 3.29Å; F406-N430 WeakPolarHBondContact CA-O 3.31Å; F406-N430 HydrophobicContact CD1-CB 3.63Å; F406-N430 HydrophobicContact CD2-CB 4.28Å; F406-N430 HydrophobicContact CE1-CB 3.27Å; F406-N430 HydrophobicContact CE2-CB 3.97Å; F406-N430 HydrophobicContact CG-CB 4.13Å; F406-N430 HydrophobicContact CZ-CB 3.48Å; F406-N430 VanDerWaalsContact CZ-CB 3.48Å; F406-N430 WeakPolarHBondContact CZ-ND2 3.49Å; F406-N430 PolarHBondContact N-O 3.37Å; E428-N430 VanDerWaalsContact C-N 3.32Å; E428-N430 PolarHBondContact O-N 2.82Å; N430-F432 PolarHBondContact O-N 3.16Å; N430-D433 HydrophobicContact CB-CB 4.11Å; N430-D433 PolarHBondContact O-N 3.31Å
431	T	97.4	Very high	94.5	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-38.9	178.9	-65.1	0	0	0	0	111.9	I403 F408 E428	I403-T431 HydrophobicContact CG2-CG2 3.8Å; F408-T431 CarbonylContact C-O 3.51Å; F408-T431 WeakPolarHBondContact CA-O 3.47Å; F408-T431 WeakPolarHBondContact CB-O 3.42Å; F408-T431 HydrophobicContact CD2-CG2 3.7Å; F408-T431 HydrophobicContact CE2-CG2 4.35Å; F408-T431 PolarHBondContact N-O 3.37Å; F408-T431 VanDerWaalsContact N-O 3.14Å; E428-T431 PolarHBondContact N-OG1 2.89Å; E428-T431 VanDerWaalsContact O-CB 3.28Å; E428-T431 WeakPolarHBondContact O-CB 3.2Å; E428-T431 PolarHBondContact O-N 2.84Å; E428-T431 PolarHBondContact O-OG1 3.36Å
432	F	96.4	Very high	94.1	Very high	11 Å²	11	58.3 Å²	58.3	5%	0.048	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	19	-176.2	-53.9	-66	0	0	0	113.7	F408 L417 L427 N430 Q434 S435 F436 I445 W460 F461 W464	F408-F432 HydrophobicContact CB-CD1 4.28Å; F408-F432 HydrophobicContact CD2-CD1 4.43Å; F408-F432 AromaticContact CD2-CE1 3.93Å; F408-F432 HydrophobicContact CD2-CE1 3.93Å; L417-F432 HydrophobicContact CD2-CE1 3.72Å; L417-F432 HydrophobicContact CD2-CZ 4.29Å; L427-F432 HydrophobicContact CD1-CE2 3.79Å; L427-F432 HydrophobicContact CD1-CZ 3.87Å; N430-F432 PolarHBondContact O-N 3.16Å; F432-Q434 PolarHBondContact O-N 3.27Å; F432-S435 WeakPolarHBondContact O-CB 3.42Å; F432-S435 PolarHBondContact O-N 3.28Å; F432-F436 AromaticContact CD1-CD2 3.75Å; F432-F436 HydrophobicContact CD1-CD2 3.75Å; F432-F436 AromaticContact CD1-CE2 3.8Å; F432-F436 HydrophobicContact CD1-CE2 3.8Å; F432-F436 HydrophobicContact CE1-CD2 4.33Å; F432-F436 AromaticContact CE1-CE2 3.96Å; F432-F436 HydrophobicContact CE1-CE2 3.96Å; F432-F436 HydrophobicContact CG-CD2 4.38Å; F432-I445 HydrophobicContact CE1-CD1 4.21Å; F432-I445 HydrophobicContact CZ-CD1 4.2Å; F432-W460 HydrophobicContact CD2-CH2 4.38Å; F432-F461 HydrophobicContact CD2-CE2 4.27Å; F432-F461 HydrophobicContact CE2-CD2 4.08Å; F432-F461 AromaticContact CE2-CE2 3.49Å; F432-F461 HydrophobicContact CE2-CE2 3.49Å; F432-F461 VanDerWaalsContact CE2-CE2 3.49Å; F432-F461 HydrophobicContact CE2-CZ 4.23Å; F432-F461 HydrophobicContact CZ-CE2 4.32Å; F432-W464 HydrophobicContact CB-CZ2 4.21Å; F432-W464 HydrophobicContact CD2-CE3 4.44Å; F432-W464 HydrophobicContact CD2-CH2 4.17Å; F432-W464 HydrophobicContact CD2-CZ2 4.39Å; F432-W464 HydrophobicContact CD2-CZ3 4.19Å; F432-W464 HydrophobicContact CE2-CZ3 4.39Å; F432-W464 HydrophobicContact CG-CH2 4.34Å; F432-W464 HydrophobicContact CG-CZ2 4.43Å
433	D	95.9	Very high	94	Very high	66 Å²	66	58.4 Å²	58.4	35%	0.353	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	132.2	-179.5	179.1	47.3	0	0	0	111.4	F406 S409 S410 N430 S435	F406-D433 HydrophobicContact CD1-CB 4.17Å; F406-D433 HydrophobicContact CE1-CB 4.24Å; S409-D433 CarbonylContact C-O 3.42Å; S409-D433 WeakPolarHBondContact CA-O 3.39Å; S409-D433 WeakPolarHBondContact CB-O 3.48Å; S410-D433 PolarHBondContact N-O 2.85Å; N430-D433 HydrophobicContact CB-CB 4.11Å; N430-D433 PolarHBondContact O-N 3.31Å; D433-S435 PolarHBondContact O-N 2.77Å; D433-S435 PolarHBondContact O-OG 2.89Å; D433-S435 VanDerWaalsContact O-OG 3.05Å
434	Q	94.6	Very high	94	Very high	108 Å²	108	54.8 Å²	54.8	51%	0.505	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	28.7	-175.9	-57.2	-59	-51	0	0	115.2	F432	F432-Q434 PolarHBondContact O-N 3.27Å
435	S	95.4	Very high	93.9	Very high	11 Å²	11	54.8 Å²	54.8	8%	0.077	30%	0.299	C	S	.	.			trans	-136	167.9	-177.8	-46.9	0	0	0	0	110.8	F408 S410 L411 F432 D433 Q437	F408-S435 WeakPolarHBondContact O-CB 3.23Å; F408-S435 PolarHBondContact O-OG 2.7Å; S410-S435 PolarHBondContact N-OG 3.13Å; L411-S435 PolarHBondContact N-OG 3.45Å; F432-S435 WeakPolarHBondContact O-CB 3.42Å; F432-S435 PolarHBondContact O-N 3.28Å; D433-S435 PolarHBondContact O-N 2.77Å; D433-S435 PolarHBondContact O-OG 2.89Å; D433-S435 VanDerWaalsContact O-OG 3.05Å; S435-Q437 PolarHBondContact O-N 3.28Å
436	F	93.8	Very high	93.9	Very high	3 Å²	3	52.6 Å²	52.6	1%	0.013	29%	0.288	C	S	.	.	S	Bend	trans	55.2	33.5	-175.8	-77.4	-84	0	0	0	114.5	L414 R415 L417 F432 R443 I445 W464 I471	L414-F436 HydrophobicContact CD2-CD2 4.06Å; L414-F436 HydrophobicContact CD2-CE2 3.32Å; L414-F436 HydrophobicContact CD2-CZ 3.77Å; L414-F436 HydrophobicContact CG-CD2 4.44Å; L414-F436 HydrophobicContact CG-CE1 4.46Å; L414-F436 HydrophobicContact CG-CE2 3.78Å; L414-F436 HydrophobicContact CG-CZ 3.76Å; R415-F436 WeakPolarHBondContact O-CE1 3.2Å; L417-F436 HydrophobicContact CB-CE2 4.26Å; L417-F436 HydrophobicContact CB-CZ 3.64Å; L417-F436 HydrophobicContact CD2-CE2 4.48Å; F432-F436 AromaticContact CD1-CD2 3.75Å; F432-F436 HydrophobicContact CD1-CD2 3.75Å; F432-F436 AromaticContact CD1-CE2 3.8Å; F432-F436 HydrophobicContact CD1-CE2 3.8Å; F432-F436 HydrophobicContact CE1-CD2 4.33Å; F432-F436 AromaticContact CE1-CE2 3.96Å; F432-F436 HydrophobicContact CE1-CE2 3.96Å; F432-F436 HydrophobicContact CG-CD2 4.38Å; F436-R443 PolarHBondContact O-NH1 3.16Å; F436-I445 HydrophobicContact CD1-CD1 3.95Å; F436-I445 HydrophobicContact CD1-CG1 4.05Å; F436-I445 HydrophobicContact CD2-CD1 3.97Å; F436-I445 HydrophobicContact CE1-CD1 3.75Å; F436-I445 HydrophobicContact CE1-CG1 3.4Å; F436-I445 HydrophobicContact CE2-CD1 3.75Å; F436-I445 HydrophobicContact CE2-CG1 4.02Å; F436-I445 HydrophobicContact CG-CD1 4.06Å; F436-I445 HydrophobicContact CZ-CD1 3.67Å; F436-I445 HydrophobicContact CZ-CG1 3.4Å; F436-I445 VanDerWaalsContact CZ-CG1 3.4Å; F436-W464 HydrophobicContact CB-CH2 4.29Å; F436-W464 HydrophobicContact CB-CZ2 4.24Å; F436-W464 HydrophobicContact CG-CH2 4.49Å; F436-I471 HydrophobicContact CB-CD1 4.45Å; F436-I471 HydrophobicContact CD1-CD1 4.33Å
437	Q	89.7	Confident	94	Very high	84 Å²	84	49.7 Å²	49.7	39%	0.393	27%	0.272	S	S	.	.			trans	-55.6	148.6	179.3	-62.4	179.2	6.1	0	0	111.8	S435	S435-Q437 PolarHBondContact O-N 3.28Å
438	E	87.1	Confident	94	Very high	155 Å²	155	49.6 Å²	49.6	72%	0.724	27%	0.272	S	S	*	.			trans	-59	139.6	176	-67.9	179.1	-167.1	0	0	111.6
439	T	88	Confident	94.1	Very high	48 Å²	48	50.9 Å²	50.9	29%	0.294	28%	0.281	S	S	.	.			trans	-159.6	163.7	-173.4	173.2	0	0	0	0	108.9	D441 R443	T439-D441 HydrophobicContact CG2-CB 4.14Å; T439-D441 WeakPolarHBondContact CG2-O 3.25Å; T439-D441 PolarHBondContact OG1-N 3.12Å; T439-R443 HydrophobicContact CG2-CG 4.05Å
440	T	86.6	Confident	94.3	Very high	142 Å²	142	48.2 Å²	48.2	87%	0.871	26%	0.263	S	S	*	.	S	Bend	trans	-69.2	-21.9	169	49.7	0	0	0	0	112.8
441	D	85.4	Confident	94.4	Very high	75 Å²	75	47 Å²	47	40%	0.401	26%	0.259	S	S	.	.	S	Bend	trans	-75.4	145	-179.3	-58.7	-20.1	0	0	0	111.3	T439 R443	T439-D441 HydrophobicContact CG2-CB 4.14Å; T439-D441 WeakPolarHBondContact CG2-O 3.25Å; T439-D441 PolarHBondContact OG1-N 3.12Å; D441-R443 PolarHBondContact O-N 3.06Å
442	G	91	Very high	94.4	Very high	58 Å²	58	47 Å²	47	60%	0.598	26%	0.259	S	S	*	.			trans	-59.7	134	172.4	0	0	0	0	0	111.5	H416	H416-G442 PolarHBondContact CE1-O 3.02Å
443	R	95.9	Very high	94.5	Very high	14 Å²	14	48 Å²	48	5%	0.053	27%	0.265	C	S	.	.			trans	-113.5	142.9	177.8	-73.2	177.3	-78	150.4	2.5	110.6	R415 F436 T439 D441 E470 I471 A472	R415-R443 HydrophobicContact CB-CG 4.39Å; R415-R443 CarbonylContact O-C 3.59Å; R415-R443 WeakPolarHBondContact O-CA 3.34Å; F436-R443 PolarHBondContact O-NH1 3.16Å; T439-R443 HydrophobicContact CG2-CG 4.05Å; D441-R443 PolarHBondContact O-N 3.06Å; R443-E470 IonicContact CZ-OE1 2.71Å; R443-E470 IonicContact NH1-OE1 3.62Å; R443-E470 PolarHBondContact NH1-OE1 3.42Å; R443-E470 VanDerWaalsContact NH1-OE1 3.07Å; R443-E470 IonicContact NH2-OE1 3.89Å; R443-E470 PolarHBondContact NH2-OE1 3.14Å; R443-I471 HydrophobicContact CB-CG1 3.92Å; R443-I471 WeakPolarHBondContact O-CA 3.22Å; R443-A472 PolarHBondContact O-N 2.78Å
444	S	97.6	Very high	94.4	Very high	8 Å²	8	45.1 Å²	45.1	6%	0.056	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	141.1	175.6	63.6	0	0	0	0	113.1	R415 H416 L417 A472	R415-S444 PolarHBondContact O-N 3.19Å; H416-S444 WeakPolarHBondContact CA-O 3.22Å; H416-S444 PolarHBondContact ND1-OG 3.3Å; L417-S444 PolarHBondContact N-O 3.38Å; S444-A472 CarbonylContact C-O 3.41Å; S444-A472 VanDerWaalsContact CA-O 3.28Å; S444-A472 WeakPolarHBondContact CA-O 2.93Å
445	I	97.8	Very high	94.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	92.5	169.1	-58.3	176.7	0	0	0	107.2	L417 F432 F436 L447 W464 I471 A472 V473	L417-I445 HydrophobicContact CB-CG1 4.45Å; L417-I445 HydrophobicContact CB-CG2 4.49Å; L417-I445 HydrophobicContact CD2-CG2 4.28Å; L417-I445 CarbonylContact O-C 2.92Å; L417-I445 WeakPolarHBondContact O-CA 3.39Å; F432-I445 HydrophobicContact CE1-CD1 4.21Å; F432-I445 HydrophobicContact CZ-CD1 4.2Å; F436-I445 HydrophobicContact CD1-CD1 3.95Å; F436-I445 HydrophobicContact CD1-CG1 4.05Å; F436-I445 HydrophobicContact CD2-CD1 3.97Å; F436-I445 HydrophobicContact CE1-CD1 3.75Å; F436-I445 HydrophobicContact CE1-CG1 3.4Å; F436-I445 HydrophobicContact CE2-CD1 3.75Å; F436-I445 HydrophobicContact CE2-CG1 4.02Å; F436-I445 HydrophobicContact CG-CD1 4.06Å; F436-I445 HydrophobicContact CZ-CD1 3.67Å; F436-I445 HydrophobicContact CZ-CG1 3.4Å; F436-I445 VanDerWaalsContact CZ-CG1 3.4Å; I445-L447 HydrophobicContact CG2-CD2 3.81Å; I445-L447 HydrophobicContact CG2-CG 4.13Å; I445-L447 WeakPolarHBondContact O-CG 3.37Å; I445-L447 PolarHBondContact O-N 3.2Å; I445-W464 HydrophobicContact CD1-CH2 3.57Å; I445-W464 HydrophobicContact CD1-CZ3 3.68Å; I445-I471 HydrophobicContact CB-CG2 4.04Å; I445-I471 HydrophobicContact CD1-CD1 4.37Å; I445-I471 HydrophobicContact CD1-CG2 4.09Å; I445-I471 HydrophobicContact CG1-CG2 3.76Å; I445-A472 PolarHBondContact N-O 2.87Å; I445-V473 VanDerWaalsContact O-CA 3.24Å; I445-V473 WeakPolarHBondContact O-CA 3.46Å
446	Y	98.6	Very high	94.3	Very high	61 Å²	61	49.5 Å²	49.5	24%	0.239	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	121	-177.7	-62.8	-42.2	0	0	0	111.3	L417 D418 I419 S420 A472 V473 D474 R475	L417-Y446 PolarHBondContact O-N 3.45Å; D418-Y446 HydrophobicContact CB-CD2 4.23Å; D418-Y446 WeakPolarHBondContact OD2-CD2 3.32Å; I419-Y446 CarbonylContact C-O 3.54Å; I419-Y446 WeakPolarHBondContact CG1-O 3.4Å; I419-Y446 PolarHBondContact N-O 2.97Å; S420-Y446 PolarHBondContact N-O 2.96Å; S420-Y446 VanDerWaalsContact N-O 3.1Å; Y446-A472 HydrophobicContact CE1-CB 4.42Å; Y446-V473 WeakPolarHBondContact CA-O 2.92Å; Y446-D474 VanDerWaalsContact CD1-O 3.27Å; Y446-D474 WeakPolarHBondContact CD1-O 3.46Å; Y446-D474 WeakPolarHBondContact CE1-O 3.38Å; Y446-R475 HydrophobicContact CD1-CG 3.79Å; Y446-R475 HydrophobicContact CD2-CG 3.91Å; Y446-R475 HydrophobicContact CE1-CG 4.33Å; Y446-R475 HydrophobicContact CE2-CG 4.42Å; Y446-R475 HydrophobicContact CG-CG 3.56Å
447	L	98.4	Very high	94.3	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.302	C	S	.	.			trans	-117	-7.7	-170.2	-63.8	169.1	0	0	0	113.8	I419 I445 N450 W452 F461 L465 V473 A480 I493	I419-L447 HydrophobicContact CD1-CD2 3.61Å; I419-L447 HydrophobicContact CG1-CD2 3.89Å; I445-L447 HydrophobicContact CG2-CD2 3.81Å; I445-L447 HydrophobicContact CG2-CG 4.13Å; I445-L447 WeakPolarHBondContact O-CG 3.37Å; I445-L447 PolarHBondContact O-N 3.2Å; L447-N450 PolarHBondContact O-ND2 3.04Å; L447-W452 HydrophobicContact CB-CZ2 4.14Å; L447-W452 HydrophobicContact CD2-CH2 4.16Å; L447-W452 HydrophobicContact CD2-CZ2 3.62Å; L447-W452 HydrophobicContact CG-CZ2 4.43Å; L447-W452 PolarHBondContact O-NE1 2.82Å; L447-F461 HydrophobicContact CD1-CE1 3.69Å; L447-F461 HydrophobicContact CD1-CZ 3.67Å; L447-F461 HydrophobicContact CD2-CE1 4.04Å; L447-F461 HydrophobicContact CD2-CZ 3.94Å; L447-F461 HydrophobicContact CG-CZ 4.45Å; L447-L465 HydrophobicContact CD1-CD1 3.85Å; L447-L465 HydrophobicContact CD1-CD2 4.48Å; L447-V473 HydrophobicContact CD1-CB 4.06Å; L447-V473 HydrophobicContact CD1-CG1 3.77Å; L447-V473 HydrophobicContact CG-CG1 4.5Å; L447-V473 PolarHBondContact N-O 3.33Å; L447-V473 VanDerWaalsContact N-O 3.08Å; L447-A480 HydrophobicContact CB-CB 3.69Å; L447-I493 HydrophobicContact CD1-CD1 4.44Å; L447-I493 HydrophobicContact CD1-CG2 4.13Å
448	C	97.7	Very high	94.6	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.284	C	S	.	.			trans	-58.4	159.3	-172.7	87.8	0	0	0	0	112.9	S420 R421 N450 C478 Q479	S420-C448 CarbonylContact C-O 3.37Å; S420-C448 WeakPolarHBondContact CA-O 3.47Å; S420-C448 WeakPolarHBondContact CB-O 3.07Å; R421-C448 PolarHBondContact N-O 3.34Å; C448-N450 PolarHBondContact O-N 3.3Å; C448-N450 PolarHBondContact O-ND2 2.89Å; C448-C478 HydrophobicContact CB-CB 3.6Å; C448-C478 WeakPolarHBondContact CB-SG 3.03Å; C448-C478 WeakPolarHBondContact SG-CB 3.43Å; C448-C478 CovalentContact SG-SG 2.02Å; C448-C478 PolarHBondContact SG-SG 3.19Å; C448-Q479 VanDerWaalsContact CB-O 3.31Å; C448-Q479 WeakPolarHBondContact CB-O 3.23Å
449	N	98	Very high	94.9	Very high	93 Å²	93	48.5 Å²	48.5	50%	0.497	27%	0.269	S	S	.	.	S	Bend	trans	54.1	50.7	177.8	-61.7	-8.6	0	0	0	113.1	R421 N422	R421-N449 CarbonylContact C-O 3.19Å; R421-N449 WeakPolarHBondContact CA-O 3.42Å; R421-N449 HydrophobicContact CB-CB 4.3Å; R421-N449 HydrophobicContact CG-CB 3.86Å; R421-N449 PolarHBondContact N-O 2.94Å; N422-N449 PolarHBondContact N-O 2.91Å; N422-N449 VanDerWaalsContact N-O 3.13Å
450	N	98.6	Very high	95.3	Very high	10 Å²	10	48.3 Å²	48.3	5%	0.053	26%	0.263	C	S	.	.	S	Bend	trans	-132.2	144	169.4	-84.1	-78.1	0	0	0	108.4	I419 N422 E423 L424 L447 C448 W452	I419-N450 PolarHBondContact O-ND2 3.38Å; N422-N450 VanDerWaalsContact CA-OD1 3.29Å; N422-N450 WeakPolarHBondContact CA-OD1 3.4Å; N422-N450 WeakPolarHBondContact CB-OD1 3.43Å; N422-N450 PolarHBondContact N-OD1 3.24Å; N422-N450 PolarHBondContact O-OD1 2.79Å; E423-N450 PolarHBondContact N-OD1 3.28Å; L424-N450 HydrophobicContact CB-CB 4.34Å; L424-N450 VanDerWaalsContact CB-OD1 3.29Å; L424-N450 WeakPolarHBondContact CB-OD1 3.48Å; L424-N450 PolarHBondContact N-OD1 3.17Å; L447-N450 PolarHBondContact O-ND2 3.04Å; C448-N450 PolarHBondContact O-N 3.3Å; C448-N450 PolarHBondContact O-ND2 2.89Å; N450-W452 HydrophobicContact CB-CD2 4.1Å; N450-W452 HydrophobicContact CB-CG 4.29Å; N450-W452 HydrophobicContact CB-CZ2 3.85Å; N450-W452 PolarHBondContact O-N 3.13Å
451	P	97.9	Very high	95.7	Very high	39 Å²	39	41.5 Å²	41.5	25%	0.253	22%	0.222	S	C	.	.			trans	-77.2	58.8	-179.7	33.9	-37.9	0	0	0	112.4	L424 K425 I453 Q483	L424-P451 CarbonylContact O-C 3.4Å; L424-P451 VanDerWaalsContact O-CD 3.24Å; L424-P451 WeakPolarHBondContact O-CD 3.2Å; K425-P451 WeakPolarHBondContact CA-O 3.27Å; K425-P451 HydrophobicContact CG-CG 4.01Å; P451-I453 PolarHBondContact O-N 3.05Å; P451-Q483 HydrophobicContact CB-CB 4.3Å; P451-Q483 HydrophobicContact CB-CG 4.2Å
452	W	98	Very high	96.2	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	125.9	-176.5	-63.6	114.9	0	0	0	112.2	I419 L424 L427 L447 N450 L458 Q483 E484 I493	I419-W452 HydrophobicContact CD1-CH2 4.47Å; L424-W452 HydrophobicContact CB-CE3 4.48Å; L424-W452 HydrophobicContact CB-CH2 3.59Å; L424-W452 HydrophobicContact CB-CZ2 4.17Å; L424-W452 HydrophobicContact CB-CZ3 3.77Å; L424-W452 HydrophobicContact CD1-CH2 3.9Å; L424-W452 HydrophobicContact CD1-CZ2 4.39Å; L424-W452 HydrophobicContact CG-CH2 4.38Å; L427-W452 HydrophobicContact CD1-CH2 4.34Å; L427-W452 HydrophobicContact CD2-CH2 4.28Å; L427-W452 HydrophobicContact CD2-CZ3 4.46Å; L427-W452 HydrophobicContact CG-CH2 4.02Å; L427-W452 HydrophobicContact CG-CZ3 3.98Å; L447-W452 HydrophobicContact CB-CZ2 4.14Å; L447-W452 HydrophobicContact CD2-CH2 4.16Å; L447-W452 HydrophobicContact CD2-CZ2 3.62Å; L447-W452 HydrophobicContact CG-CZ2 4.43Å; L447-W452 PolarHBondContact O-NE1 2.82Å; N450-W452 HydrophobicContact CB-CD2 4.1Å; N450-W452 HydrophobicContact CB-CG 4.29Å; N450-W452 HydrophobicContact CB-CZ2 3.85Å; N450-W452 PolarHBondContact O-N 3.13Å; W452-L458 HydrophobicContact CB-CD2 4.2Å; W452-L458 HydrophobicContact CE3-CD2 4.15Å; W452-Q483 PolarHBondContact O-N 2.6Å; W452-E484 PolarHBondContact O-N 3.15Å; W452-E484 VanDerWaalsContact O-N 3.15Å; W452-I493 HydrophobicContact CB-CD1 4.14Å; W452-I493 HydrophobicContact CD2-CD1 3.79Å; W452-I493 HydrophobicContact CE3-CD1 4.4Å; W452-I493 HydrophobicContact CG-CD1 3.65Å
453	I	97.7	Very high	96.4	Very high	34 Å²	34	41.9 Å²	41.9	17%	0.174	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	100.5	173.7	-54.2	-176	0	0	0	108.1	K425 P451 D455 L458 E484	K425-I453 HydrophobicContact CB-CD1 4.01Å; K425-I453 HydrophobicContact CB-CG1 4.01Å; K425-I453 HydrophobicContact CD-CD1 3.9Å; K425-I453 HydrophobicContact CG-CD1 4.21Å; K425-I453 HydrophobicContact CG-CG1 4.32Å; K425-I453 PolarHBondContact O-N 3.08Å; P451-I453 PolarHBondContact O-N 3.05Å; I453-D455 HydrophobicContact CG2-CB 4.11Å; I453-D455 PolarHBondContact O-N 2.97Å; I453-L458 VanDerWaalsContact O-CB 3.27Å; I453-L458 WeakPolarHBondContact O-CB 2.98Å; I453-L458 WeakPolarHBondContact O-CD2 3.49Å; I453-E484 CarbonylContact C-O 3.04Å; I453-E484 HydrophobicContact CB-CB 4.37Å; I453-E484 HydrophobicContact CG1-CB 4.1Å; I453-E484 HydrophobicContact CG2-CB 4.12Å
454	C	95.6	Very high	96.3	Very high	4 Å²	4	43.4 Å²	43.4	3%	0.027	21%	0.205	C	C	.	.			trans	-83.3	49.4	-176.8	-65.6	0	0	0	0	112.7	R462 C482 E484 L488	C454-R462 PolarHBondContact SG-NH1 2.81Å; C454-R462 VanDerWaalsContact SG-NH1 3.38Å; C454-C482 HydrophobicContact CB-CB 3.76Å; C454-C482 WeakPolarHBondContact CB-SG 2.9Å; C454-C482 WeakPolarHBondContact SG-CB 3.33Å; C454-C482 CovalentContact SG-SG 2.02Å; C454-C482 PolarHBondContact SG-SG 2.94Å; C454-E484 PolarHBondContact N-O 3.39Å; C454-L488 HydrophobicContact CB-CD1 3.77Å; C454-L488 WeakPolarHBondContact O-CD1 3.22Å
455	D	93.6	Very high	96.3	Very high	61 Å²	61	43 Å²	43	33%	0.326	20%	0.202	S	C	.	.	S	Bend	trans	-91.4	-168.3	173.6	74.5	2.7	0	0	0	111.8	I453 K457 L458 N459	I453-D455 HydrophobicContact CG2-CB 4.11Å; I453-D455 PolarHBondContact O-N 2.97Å; D455-K457 PolarHBondContact O-N 2.86Å; D455-K457 WeakPolarHBondContact OD1-CA 3.05Å; D455-K457 VanDerWaalsContact OD1-CB 3.25Å; D455-K457 WeakPolarHBondContact OD1-CB 3.45Å; D455-K457 PolarHBondContact OD1-N 3.34Å; D455-L458 PolarHBondContact O-N 3.05Å; D455-N459 PolarHBondContact O-N 1.93Å
456	I	93.1	Very high	96.1	Very high	151 Å²	151	46.3 Å²	46.3	77%	0.774	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-27.9	178.9	-167.4	165.4	0	0	0	113.2	L458 N459	I456-L458 VanDerWaalsContact C-N 3.34Å; I456-N459 WeakPolarHBondContact O-CB 3.43Å; I456-N459 PolarHBondContact O-N 3.46Å
457	K	94.9	Very high	95.9	Very high	141 Å²	141	49 Å²	49	61%	0.613	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-28.3	-178.1	-60.3	177	178.2	173.5	0	112	D455	D455-K457 PolarHBondContact O-N 2.86Å; D455-K457 WeakPolarHBondContact OD1-CA 3.05Å; D455-K457 VanDerWaalsContact OD1-CB 3.25Å; D455-K457 WeakPolarHBondContact OD1-CB 3.45Å; D455-K457 PolarHBondContact OD1-N 3.34Å
458	L	95.9	Very high	95.7	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-7.2	177.3	-161.2	59.2	0	0	0	113.2	L426 W452 I453 D455 I456 W460 F461 R462 I493	L426-L458 HydrophobicContact CB-CD1 4.13Å; W452-L458 HydrophobicContact CB-CD2 4.2Å; W452-L458 HydrophobicContact CE3-CD2 4.15Å; I453-L458 VanDerWaalsContact O-CB 3.27Å; I453-L458 WeakPolarHBondContact O-CB 2.98Å; I453-L458 WeakPolarHBondContact O-CD2 3.49Å; D455-L458 PolarHBondContact O-N 3.05Å; I456-L458 VanDerWaalsContact C-N 3.34Å; L458-W460 PolarHBondContact O-N 3.17Å; L458-F461 HydrophobicContact CD1-CB 3.95Å; L458-F461 HydrophobicContact CD1-CD1 3.98Å; L458-F461 HydrophobicContact CD1-CG 4.42Å; L458-F461 HydrophobicContact CG-CB 4.42Å; L458-F461 HydrophobicContact CG-CD1 4.49Å; L458-F461 WeakPolarHBondContact O-CB 3.36Å; L458-F461 PolarHBondContact O-N 3.46Å; L458-R462 HydrophobicContact CG-CG 4.46Å; L458-R462 PolarHBondContact O-N 3.1Å; L458-R462 VanDerWaalsContact O-N 3.09Å; L458-I493 HydrophobicContact CD2-CD1 4.16Å
459	N	93.4	Very high	95.4	Very high	79 Å²	79	54.8 Å²	54.8	42%	0.422	26%	0.259	S	S	.	.	H	α-helix	trans	-61.3	-32	-172.7	-168.4	35.7	0	0	0	113.4	D455 I456 F461 R462 R463	D455-N459 PolarHBondContact O-N 1.93Å; I456-N459 WeakPolarHBondContact O-CB 3.43Å; I456-N459 PolarHBondContact O-N 3.46Å; N459-F461 VanDerWaalsContact C-N 3.28Å; N459-F461 PolarHBondContact O-N 3.32Å; N459-R462 PolarHBondContact O-N 3.01Å; N459-R463 WeakPolarHBondContact O-CB 3.37Å; N459-R463 PolarHBondContact O-N 3.35Å
460	W	94.8	Very high	95.2	Very high	44 Å²	44	54.4 Å²	54.4	17%	0.167	26%	0.255	C	S	.	.	H	α-helix	trans	-58.2	-43.1	174	78	-95.1	0	0	0	111	L427 E428 P429 F432 L458 R463 W464	L427-W460 HydrophobicContact CB-CH2 4.29Å; L427-W460 HydrophobicContact CB-CZ2 3.68Å; L427-W460 WeakPolarHBondContact O-CZ2 3.33Å; L427-W460 PolarHBondContact O-NE1 3.38Å; E428-W460 VanDerWaalsContact O-CH2 3.26Å; E428-W460 WeakPolarHBondContact O-CH2 3.44Å; E428-W460 WeakPolarHBondContact O-CZ2 3.41Å; P429-W460 VanDerWaalsContact CA-CE2 3.46Å; P429-W460 HydrophobicContact CB-CD2 4.27Å; P429-W460 HydrophobicContact CB-CG 4.4Å; P429-W460 HydrophobicContact CG-CG 4.33Å; P429-W460 WeakPolarHBondContact O-CZ3 3.43Å; F432-W460 HydrophobicContact CD2-CH2 4.38Å; L458-W460 PolarHBondContact O-N 3.17Å; W460-R463 PolarHBondContact O-N 3.41Å; W460-W464 HydrophobicContact CE3-CB 4.45Å; W460-W464 HydrophobicContact CZ3-CB 4.45Å; W460-W464 WeakPolarHBondContact O-CB 3.18Å; W460-W464 PolarHBondContact O-N 3.15Å
461	F	96.7	Very high	95	Very high	0 Å²	0	54 Å²	54	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-73.7	-41.5	-177.1	-176.9	-130.9	0	0	0	110.8	L427 F432 L447 L458 N459 R463 W464 L465 I493	L427-F461 HydrophobicContact CD1-CD1 4.04Å; L427-F461 HydrophobicContact CD1-CD2 4.21Å; L427-F461 HydrophobicContact CD1-CE1 3.67Å; L427-F461 HydrophobicContact CD1-CE2 3.89Å; L427-F461 HydrophobicContact CD1-CG 4.3Å; L427-F461 HydrophobicContact CD1-CZ 3.59Å; F432-F461 HydrophobicContact CD2-CE2 4.27Å; F432-F461 HydrophobicContact CE2-CD2 4.08Å; F432-F461 AromaticContact CE2-CE2 3.49Å; F432-F461 HydrophobicContact CE2-CE2 3.49Å; F432-F461 VanDerWaalsContact CE2-CE2 3.49Å; F432-F461 HydrophobicContact CE2-CZ 4.23Å; F432-F461 HydrophobicContact CZ-CE2 4.32Å; L447-F461 HydrophobicContact CD1-CE1 3.69Å; L447-F461 HydrophobicContact CD1-CZ 3.67Å; L447-F461 HydrophobicContact CD2-CE1 4.04Å; L447-F461 HydrophobicContact CD2-CZ 3.94Å; L447-F461 HydrophobicContact CG-CZ 4.45Å; L458-F461 HydrophobicContact CD1-CB 3.95Å; L458-F461 HydrophobicContact CD1-CD1 3.98Å; L458-F461 HydrophobicContact CD1-CG 4.42Å; L458-F461 HydrophobicContact CG-CB 4.42Å; L458-F461 HydrophobicContact CG-CD1 4.49Å; L458-F461 WeakPolarHBondContact O-CB 3.36Å; L458-F461 PolarHBondContact O-N 3.46Å; N459-F461 VanDerWaalsContact C-N 3.28Å; N459-F461 PolarHBondContact O-N 3.32Å; F461-R463 VanDerWaalsContact C-N 3.27Å; F461-R463 PolarHBondContact O-N 2.83Å; F461-W464 AromaticContact CD2-CE3 3.94Å; F461-W464 HydrophobicContact CD2-CE3 3.94Å; F461-W464 AromaticContact CE2-CE3 3.69Å; F461-W464 HydrophobicContact CE2-CE3 3.69Å; F461-W464 AromaticContact CE2-CZ3 3.93Å; F461-W464 HydrophobicContact CE2-CZ3 3.93Å; F461-W464 PolarHBondContact O-N 3.49Å; F461-L465 HydrophobicContact CD1-CD1 4.27Å; F461-L465 HydrophobicContact CD2-CG 4.3Å; F461-L465 HydrophobicContact CE1-CD1 3.87Å; F461-L465 HydrophobicContact CE1-CG 4.4Å; F461-L465 HydrophobicContact CE2-CD1 4.3Å; F461-L465 HydrophobicContact CE2-CD2 3.94Å; F461-L465 HydrophobicContact CE2-CG 3.93Å; F461-L465 HydrophobicContact CZ-CD1 3.89Å; F461-L465 HydrophobicContact CZ-CD2 3.98Å; F461-L465 HydrophobicContact CZ-CG 4Å; F461-L465 WeakPolarHBondContact O-CG 3.26Å; F461-L465 PolarHBondContact O-N 3.45Å; F461-I493 HydrophobicContact CD1-CD1 4.32Å; F461-I493 HydrophobicContact CE1-CD1 4.18Å
462	R	95	Very high	95	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.008	26%	0.259	C	S	.	.	H	α-helix	trans	-57.6	-42.4	173.3	-61.1	173.9	56.8	90.9	-22.7	111	C454 L458 N459 R466 C482 I493 F495 N497	C454-R462 PolarHBondContact SG-NH1 2.81Å; C454-R462 VanDerWaalsContact SG-NH1 3.38Å; L458-R462 HydrophobicContact CG-CG 4.46Å; L458-R462 PolarHBondContact O-N 3.1Å; L458-R462 VanDerWaalsContact O-N 3.09Å; N459-R462 PolarHBondContact O-N 3.01Å; R462-R466 PolarHBondContact O-N 2.87Å; R462-R466 PolarHBondContact O-NH1 3.23Å; R462-R466 VanDerWaalsContact O-NH1 3.08Å; R462-C482 PolarHBondContact NH1-SG 2.8Å; R462-I493 HydrophobicContact CG-CG1 4.4Å; R462-I493 VanDerWaalsContact CG-O 3.29Å; R462-I493 WeakPolarHBondContact CG-O 3.11Å; R462-I493 PolarHBondContact NH1-O 3.14Å; R462-F495 VanDerWaalsContact CZ-O 3.26Å; R462-F495 PolarHBondContact NH2-O 3.27Å; R462-N497 PolarHBondContact NH2-OD1 2.74Å
463	R	94.6	Very high	94.9	Very high	139 Å²	139	54.7 Å²	54.7	53%	0.525	26%	0.261	S	S	.	.	H	α-helix	trans	-64.6	-49.3	174.5	179.9	176.7	63.9	-176.4	0.5	111.5	N459 W460 F461 L465 R466 E467	N459-R463 WeakPolarHBondContact O-CB 3.37Å; N459-R463 PolarHBondContact O-N 3.35Å; W460-R463 PolarHBondContact O-N 3.41Å; F461-R463 VanDerWaalsContact C-N 3.27Å; F461-R463 PolarHBondContact O-N 2.83Å; R463-L465 VanDerWaalsContact C-N 3.27Å; R463-L465 PolarHBondContact O-N 3.27Å; R463-R466 WeakPolarHBondContact O-CB 3.41Å; R463-R466 PolarHBondContact O-N 3.24Å; R463-E467 WeakPolarHBondContact CD-OE1 3.3Å; R463-E467 HydrophobicContact CG-CG 4.41Å; R463-E467 VanDerWaalsContact CG-OE1 3.24Å; R463-E467 WeakPolarHBondContact CG-OE1 3.12Å; R463-E467 IonicContact NE-OE1 3.05Å; R463-E467 PolarHBondContact O-N 2.97Å
464	W	95.5	Very high	94.8	Very high	45 Å²	45	56.3 Å²	56.3	17%	0.17	27%	0.27	C	S	.	.	H	α-helix	trans	-56.2	-40.7	178.8	-177.4	83.9	0	0	0	112.4	F432 F436 I445 W460 F461 R466 E467 N468 I471	F432-W464 HydrophobicContact CB-CZ2 4.21Å; F432-W464 HydrophobicContact CD2-CE3 4.44Å; F432-W464 HydrophobicContact CD2-CH2 4.17Å; F432-W464 HydrophobicContact CD2-CZ2 4.39Å; F432-W464 HydrophobicContact CD2-CZ3 4.19Å; F432-W464 HydrophobicContact CE2-CZ3 4.39Å; F432-W464 HydrophobicContact CG-CH2 4.34Å; F432-W464 HydrophobicContact CG-CZ2 4.43Å; F436-W464 HydrophobicContact CB-CH2 4.29Å; F436-W464 HydrophobicContact CB-CZ2 4.24Å; F436-W464 HydrophobicContact CG-CH2 4.49Å; I445-W464 HydrophobicContact CD1-CH2 3.57Å; I445-W464 HydrophobicContact CD1-CZ3 3.68Å; W460-W464 HydrophobicContact CE3-CB 4.45Å; W460-W464 HydrophobicContact CZ3-CB 4.45Å; W460-W464 WeakPolarHBondContact O-CB 3.18Å; W460-W464 PolarHBondContact O-N 3.15Å; F461-W464 AromaticContact CD2-CE3 3.94Å; F461-W464 HydrophobicContact CD2-CE3 3.94Å; F461-W464 AromaticContact CE2-CE3 3.69Å; F461-W464 HydrophobicContact CE2-CE3 3.69Å; F461-W464 AromaticContact CE2-CZ3 3.93Å; F461-W464 HydrophobicContact CE2-CZ3 3.93Å; F461-W464 PolarHBondContact O-N 3.49Å; W464-R466 VanDerWaalsContact C-N 3.31Å; W464-R466 PolarHBondContact O-N 3.1Å; W464-E467 PolarHBondContact O-N 3Å; W464-N468 PolarHBondContact O-N 3.38Å; W464-N468 PolarHBondContact O-ND2 3.19Å; W464-I471 HydrophobicContact CH2-CD1 3.56Å; W464-I471 HydrophobicContact CZ2-CD1 4.24Å; W464-I471 HydrophobicContact CZ3-CD1 4.11Å
465	L	96	Very high	94.7	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-64.6	-29.7	174.3	-71.2	177.9	0	0	0	113.9	L447 F461 R463 N468 V473 I493 R494	L447-L465 HydrophobicContact CD1-CD1 3.85Å; L447-L465 HydrophobicContact CD1-CD2 4.48Å; F461-L465 HydrophobicContact CD1-CD1 4.27Å; F461-L465 HydrophobicContact CD2-CG 4.3Å; F461-L465 HydrophobicContact CE1-CD1 3.87Å; F461-L465 HydrophobicContact CE1-CG 4.4Å; F461-L465 HydrophobicContact CE2-CD1 4.3Å; F461-L465 HydrophobicContact CE2-CD2 3.94Å; F461-L465 HydrophobicContact CE2-CG 3.93Å; F461-L465 HydrophobicContact CZ-CD1 3.89Å; F461-L465 HydrophobicContact CZ-CD2 3.98Å; F461-L465 HydrophobicContact CZ-CG 4Å; F461-L465 WeakPolarHBondContact O-CG 3.26Å; F461-L465 PolarHBondContact O-N 3.45Å; R463-L465 VanDerWaalsContact C-N 3.27Å; R463-L465 PolarHBondContact O-N 3.27Å; L465-N468 CarbonylContact O-C 3.34Å; L465-V473 HydrophobicContact CD1-CG1 4.35Å; L465-V473 HydrophobicContact CD2-CG1 3.72Å; L465-I493 HydrophobicContact CD1-CG2 3.92Å; L465-R494 HydrophobicContact CB-CB 4.5Å; L465-R494 HydrophobicContact CB-CG 4.22Å; L465-R494 PolarHBondContact O-NH1 3.42Å
466	R	95	Very high	94.6	Very high	69 Å²	69	62.3 Å²	62.3	26%	0.26	31%	0.305	S	S	.	.	H	α-helix	trans	-77.8	-33.7	174.7	-69.6	-171.9	-61.8	-83.4	0.5	112.3	R462 R463 W464 N468 R494 L496	R462-R466 PolarHBondContact O-N 2.87Å; R462-R466 PolarHBondContact O-NH1 3.23Å; R462-R466 VanDerWaalsContact O-NH1 3.08Å; R463-R466 WeakPolarHBondContact O-CB 3.41Å; R463-R466 PolarHBondContact O-N 3.24Å; W464-R466 VanDerWaalsContact C-N 3.31Å; W464-R466 PolarHBondContact O-N 3.1Å; R466-N468 PolarHBondContact O-N 3.23Å; R466-R494 VanDerWaalsContact CD-O 3.25Å; R466-R494 WeakPolarHBondContact CD-O 3.22Å; R466-R494 HydrophobicContact CG-CG 3.89Å; R466-R494 WeakPolarHBondContact CG-O 3.5Å; R466-R494 PolarHBondContact NH1-O 2.79Å; R466-L496 VanDerWaalsContact CZ-CD2 3.49Å
467	E	93.3	Very high	94.6	Very high	119 Å²	119	59.7 Å²	59.7	56%	0.556	29%	0.292	S	S	*	.	H	α-helix	trans	-70.3	-22.2	174.4	-68.9	166.7	177.9	0	0	111.5	R463 W464	R463-E467 WeakPolarHBondContact CD-OE1 3.3Å; R463-E467 HydrophobicContact CG-CG 4.41Å; R463-E467 VanDerWaalsContact CG-OE1 3.24Å; R463-E467 WeakPolarHBondContact CG-OE1 3.12Å; R463-E467 IonicContact NE-OE1 3.05Å; R463-E467 PolarHBondContact O-N 2.97Å; W464-E467 PolarHBondContact O-N 3Å
468	N	93.9	Very high	94.6	Very high	20 Å²	20	53.8 Å²	53.8	11%	0.107	27%	0.269	C	S	.	.	S	Bend	trans	-115.5	65.2	175.3	-64.3	-98.8	0	0	0	110.2	W464 L465 R466 E470 I471 R494	W464-N468 PolarHBondContact O-N 3.38Å; W464-N468 PolarHBondContact O-ND2 3.19Å; L465-N468 CarbonylContact O-C 3.34Å; R466-N468 PolarHBondContact O-N 3.23Å; N468-E470 WeakPolarHBondContact CA-OE1 3.37Å; N468-E470 WeakPolarHBondContact CA-OE2 3.24Å; N468-E470 WeakPolarHBondContact CB-OE1 3.14Å; N468-E470 PolarHBondContact O-N 3.39Å; N468-I471 HydrophobicContact CB-CD1 3.57Å; N468-I471 HydrophobicContact CB-CG1 3.94Å; N468-I471 PolarHBondContact O-N 3.4Å; N468-R494 PolarHBondContact O-NH1 3.37Å; N468-R494 VanDerWaalsContact O-NH1 3.13Å
469	I	91.9	Very high	94.6	Very high	100 Å²	100	59.1 Å²	59.1	51%	0.513	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-27.5	-169.4	-167.2	161	0	0	0	113.6	R494 V515	I469-R494 PolarHBondContact O-NH1 3.33Å; I469-V515 HydrophobicContact CD1-CG1 4.08Å; I469-V515 HydrophobicContact CD1-CG2 4.34Å
470	E	93	Very high	94.8	Very high	86 Å²	86	55.4 Å²	55.4	40%	0.402	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-18	-178.7	71.1	-63.9	153.5	0	0	114.3	R443 N468 A472	R443-E470 IonicContact CZ-OE1 2.71Å; R443-E470 IonicContact NH1-OE1 3.62Å; R443-E470 PolarHBondContact NH1-OE1 3.42Å; R443-E470 VanDerWaalsContact NH1-OE1 3.07Å; R443-E470 IonicContact NH2-OE1 3.89Å; R443-E470 PolarHBondContact NH2-OE1 3.14Å; N468-E470 WeakPolarHBondContact CA-OE1 3.37Å; N468-E470 WeakPolarHBondContact CA-OE2 3.24Å; N468-E470 WeakPolarHBondContact CB-OE1 3.14Å; N468-E470 PolarHBondContact O-N 3.39Å; E470-A472 PolarHBondContact O-N 3.46Å
471	I	95.5	Very high	94.9	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.005	28%	0.275	C	S	.	.	S	Bend	trans	-71.5	115.4	177.8	-62.7	-178.5	0	0	0	108.9	F436 R443 I445 W464 N468 V473 R494	F436-I471 HydrophobicContact CB-CD1 4.45Å; F436-I471 HydrophobicContact CD1-CD1 4.33Å; R443-I471 HydrophobicContact CB-CG1 3.92Å; R443-I471 WeakPolarHBondContact O-CA 3.22Å; I445-I471 HydrophobicContact CB-CG2 4.04Å; I445-I471 HydrophobicContact CD1-CD1 4.37Å; I445-I471 HydrophobicContact CD1-CG2 4.09Å; I445-I471 HydrophobicContact CG1-CG2 3.76Å; W464-I471 HydrophobicContact CH2-CD1 3.56Å; W464-I471 HydrophobicContact CZ2-CD1 4.24Å; W464-I471 HydrophobicContact CZ3-CD1 4.11Å; N468-I471 HydrophobicContact CB-CD1 3.57Å; N468-I471 HydrophobicContact CB-CG1 3.94Å; N468-I471 PolarHBondContact O-N 3.4Å; I471-V473 PolarHBondContact O-N 3.45Å; I471-R494 PolarHBondContact O-NH2 3.48Å
472	A	96.9	Very high	94.9	Very high	46 Å²	46	54.8 Å²	54.8	38%	0.38	28%	0.275	S	S	.	.	B	Isolated β-bridge	trans	-68.2	126.7	174.4	0	0	0	0	0	110.8	R443 S444 I445 Y446 E470	R443-A472 PolarHBondContact O-N 2.78Å; S444-A472 CarbonylContact C-O 3.41Å; S444-A472 VanDerWaalsContact CA-O 3.28Å; S444-A472 WeakPolarHBondContact CA-O 2.93Å; I445-A472 PolarHBondContact N-O 2.87Å; Y446-A472 HydrophobicContact CE1-CB 4.42Å; E470-A472 PolarHBondContact O-N 3.46Å
473	V	97.3	Very high	95	Very high	8 Å²	8	59.2 Å²	59.2	5%	0.048	30%	0.295	C	S	.	.			trans	-110.4	-19.9	-179.6	-70.7	0	0	0	0	115.3	I445 Y446 L447 L465 I471 A480	I445-V473 VanDerWaalsContact O-CA 3.24Å; I445-V473 WeakPolarHBondContact O-CA 3.46Å; Y446-V473 WeakPolarHBondContact CA-O 2.92Å; L447-V473 HydrophobicContact CD1-CB 4.06Å; L447-V473 HydrophobicContact CD1-CG1 3.77Å; L447-V473 HydrophobicContact CG-CG1 4.5Å; L447-V473 PolarHBondContact N-O 3.33Å; L447-V473 VanDerWaalsContact N-O 3.08Å; L465-V473 HydrophobicContact CD1-CG1 4.35Å; L465-V473 HydrophobicContact CD2-CG1 3.72Å; I471-V473 PolarHBondContact O-N 3.45Å; V473-A480 HydrophobicContact CB-CB 4.33Å; V473-A480 HydrophobicContact CG2-CB 4.38Å
474	D	95.7	Very high	95	Very high	67 Å²	67	56.9 Å²	56.9	36%	0.358	29%	0.291	S	S	.	.	S	Bend	trans	-96.2	147	179.1	-57.8	-40.3	0	0	0	109.5	Y446 Q479 A480	Y446-D474 VanDerWaalsContact CD1-O 3.27Å; Y446-D474 WeakPolarHBondContact CD1-O 3.46Å; Y446-D474 WeakPolarHBondContact CE1-O 3.38Å; D474-Q479 WeakPolarHBondContact OD1-CA 3.43Å; D474-A480 WeakPolarHBondContact OD1-CB 3.47Å; D474-A480 PolarHBondContact OD1-N 3.48Å
475	R	93.4	Very high	95	Very high	58 Å²	58	56.2 Å²	56.2	22%	0.219	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-90.8	162.3	166.9	-59.7	178.6	51.2	103.5	12.2	108.6	D418 S420 Y446 D477 C478	D418-R475 IonicContact OD2-CZ 3.9Å; D418-R475 IonicContact OD2-NH1 3.66Å; D418-R475 PolarHBondContact OD2-NH1 3.24Å; S420-R475 WeakPolarHBondContact OG-CD 3.39Å; Y446-R475 HydrophobicContact CD1-CG 3.79Å; Y446-R475 HydrophobicContact CD2-CG 3.91Å; Y446-R475 HydrophobicContact CE1-CG 4.33Å; Y446-R475 HydrophobicContact CE2-CG 4.42Å; Y446-R475 HydrophobicContact CG-CG 3.56Å; R475-D477 VanDerWaalsContact CB-OD1 3.26Å; R475-D477 WeakPolarHBondContact CB-OD1 3.22Å; R475-D477 IonicContact CZ-OD1 3.76Å; R475-D477 IonicContact NE-OD1 2.69Å; R475-D477 PolarHBondContact NE-OD1 3.19Å; R475-D477 VanDerWaalsContact NE-OD1 3.1Å; R475-D477 IonicContact NH2-OD1 3.76Å; R475-D477 PolarHBondContact O-N 2.96Å; R475-C478 VanDerWaalsContact CB-SG 3.56Å; R475-C478 PolarHBondContact N-O 3.12Å; R475-C478 PolarHBondContact O-N 3.41Å
476	P	90.6	Very high	94.7	Very high	134 Å²	134	61.2 Å²	61.2	87%	0.87	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-25.8	173.1	-27.2	35.7	0	0	0	113.9
477	D	93.4	Very high	94.5	Very high	96 Å²	96	62.3 Å²	62.3	51%	0.513	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-6.1	-174.8	67.8	-67.8	0	0	0	115.3	R421 R475	R421-D477 IonicContact CZ-OD2 2.66Å; R421-D477 IonicContact NH2-OD1 3.92Å; R421-D477 IonicContact NH2-OD2 2.65Å; R421-D477 PolarHBondContact NH2-OD2 3.14Å; R475-D477 VanDerWaalsContact CB-OD1 3.26Å; R475-D477 WeakPolarHBondContact CB-OD1 3.22Å; R475-D477 IonicContact CZ-OD1 3.76Å; R475-D477 IonicContact NE-OD1 2.69Å; R475-D477 PolarHBondContact NE-OD1 3.19Å; R475-D477 VanDerWaalsContact NE-OD1 3.1Å; R475-D477 IonicContact NH2-OD1 3.76Å; R475-D477 PolarHBondContact O-N 2.96Å
478	C	95.6	Very high	94.4	Very high	17 Å²	17	56.9 Å²	56.9	12%	0.115	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-162.1	148.1	-175.4	56.9	0	0	0	0	112.6	C448 R475	C448-C478 HydrophobicContact CB-CB 3.6Å; C448-C478 WeakPolarHBondContact CB-SG 3.03Å; C448-C478 WeakPolarHBondContact SG-CB 3.43Å; C448-C478 CovalentContact SG-SG 2.02Å; C448-C478 PolarHBondContact SG-SG 3.19Å; R475-C478 VanDerWaalsContact CB-SG 3.56Å; R475-C478 PolarHBondContact N-O 3.12Å; R475-C478 PolarHBondContact O-N 3.41Å
479	Q	96	Very high	94.4	Very high	111 Å²	111	59.5 Å²	59.5	52%	0.519	32%	0.321	S	S	.	.			trans	-102.3	147.8	178.3	-66.7	178.2	-9.9	0	0	112.6	C448 D474 V481	C448-Q479 VanDerWaalsContact CB-O 3.31Å; C448-Q479 WeakPolarHBondContact CB-O 3.23Å; D474-Q479 WeakPolarHBondContact OD1-CA 3.43Å; Q479-V481 HydrophobicContact CB-CG1 4.07Å; Q479-V481 PolarHBondContact O-N 3.07Å
480	A	96.7	Very high	94.4	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.008	32%	0.323	C	S	.	.			trans	-84.7	99	174.4	0	0	0	0	0	110.3	L447 V473 D474 P492 I493	L447-A480 HydrophobicContact CB-CB 3.69Å; V473-A480 HydrophobicContact CB-CB 4.33Å; V473-A480 HydrophobicContact CG2-CB 4.38Å; D474-A480 WeakPolarHBondContact OD1-CB 3.47Å; D474-A480 PolarHBondContact OD1-N 3.48Å; A480-P492 WeakPolarHBondContact O-CA 3.24Å; A480-I493 HydrophobicContact CB-CG2 3.77Å; A480-I493 WeakPolarHBondContact O-CG2 3.43Å; A480-I493 PolarHBondContact O-N 2.94Å
481	V	97.1	Very high	94.4	Very high	32 Å²	32	56.9 Å²	56.9	19%	0.194	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-124.4	160.1	-174.3	-61	0	0	0	0	112.5	Q479 N490 W491	Q479-V481 HydrophobicContact CB-CG1 4.07Å; Q479-V481 PolarHBondContact O-N 3.07Å; V481-N490 WeakPolarHBondContact CG1-O 3.41Å; V481-W491 CarbonylContact C-O 3.47Å; V481-W491 VanDerWaalsContact CA-O 3.31Å; V481-W491 WeakPolarHBondContact CA-O 3.5Å
482	C	97.3	Very high	94.4	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	140.2	174.1	-60.9	0	0	0	0	111.1	C454 R462 L488 N490 W491	C454-C482 HydrophobicContact CB-CB 3.76Å; C454-C482 WeakPolarHBondContact CB-SG 2.9Å; C454-C482 WeakPolarHBondContact SG-CB 3.33Å; C454-C482 CovalentContact SG-SG 2.02Å; C454-C482 PolarHBondContact SG-SG 2.94Å; R462-C482 PolarHBondContact NH1-SG 2.8Å; C482-L488 HydrophobicContact CB-CB 4.11Å; C482-L488 WeakPolarHBondContact CB-O 3.38Å; C482-N490 PolarHBondContact O-N 3.19Å; C482-W491 PolarHBondContact N-O 2.87Å; C482-W491 PolarHBondContact SG-O 2.91Å; C482-W491 VanDerWaalsContact SG-O 3.38Å
483	Q	96.8	Very high	94.2	Very high	94 Å²	94	55.1 Å²	55.1	44%	0.439	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	-35.1	173.1	-177	63.4	48.1	0	0	111.7	P451 W452 L489	P451-Q483 HydrophobicContact CB-CB 4.3Å; P451-Q483 HydrophobicContact CB-CG 4.2Å; W452-Q483 PolarHBondContact O-N 2.6Å; Q483-L489 WeakPolarHBondContact O-CD1 3.19Å
484	E	94.2	Very high	94	Very high	91 Å²	91	56 Å²	56	43%	0.425	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	159	176.1	-75	179.8	-147.9	0	0	109.7	W452 I453 C454	W452-E484 PolarHBondContact O-N 3.15Å; W452-E484 VanDerWaalsContact O-N 3.15Å; I453-E484 CarbonylContact C-O 3.04Å; I453-E484 HydrophobicContact CB-CB 4.37Å; I453-E484 HydrophobicContact CG1-CB 4.1Å; I453-E484 HydrophobicContact CG2-CB 4.12Å; C454-E484 PolarHBondContact N-O 3.39Å
485	P	94.4	Very high	93.6	Very high	30 Å²	30	55.7 Å²	55.7	20%	0.195	29%	0.292	C	S	.	.	S	Bend	cis	-70.4	166.3	-9.8	35.2	-39.9	0	0	0	111.7	Q487 L488	P485-Q487 VanDerWaalsContact CB-OE1 3.3Å; P485-Q487 HydrophobicContact CG-CG 4.11Å; P485-Q487 PolarHBondContact O-N 3.42Å; P485-L488 HydrophobicContact CG-CD1 4.45Å; P485-L488 HydrophobicContact CG-CG 4.4Å; P485-L488 PolarHBondContact O-N 3.1Å
486	P	90.9	Very high	93.1	Very high	106 Å²	106	58.3 Å²	58.3	69%	0.688	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-52.9	-32.3	-171.5	-29.3	35.8	0	0	0	115.1	L488 L489	P486-L488 PolarHBondContact O-N 3.26Å; P486-L489 VanDerWaalsContact O-CB 3.25Å; P486-L489 WeakPolarHBondContact O-CB 3.08Å; P486-L489 PolarHBondContact O-N 3.34Å; P486-L489 VanDerWaalsContact O-N 3.14Å
487	Q	90.3	Very high	92.6	Very high	92 Å²	92	56.3 Å²	56.3	43%	0.43	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-69.8	-13.6	177.8	67.7	-90.5	23.3	0	0	115.4	P485 V503	P485-Q487 VanDerWaalsContact CB-OE1 3.3Å; P485-Q487 HydrophobicContact CG-CG 4.11Å; P485-Q487 PolarHBondContact O-N 3.42Å; Q487-V503 HydrophobicContact CB-CG1 3.48Å; Q487-V503 VanDerWaalsContact CB-CG1 3.48Å; Q487-V503 HydrophobicContact CG-CG1 4.11Å
488	L	91.8	Very high	91.6	Very high	5 Å²	5	52.4 Å²	52.4	3%	0.026	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-111.3	12.1	173.4	-61.4	-175.8	0	0	0	111.3	C454 C482 P485 P486 N490 W491 N497 P498	C454-L488 HydrophobicContact CB-CD1 3.77Å; C454-L488 WeakPolarHBondContact O-CD1 3.22Å; C482-L488 HydrophobicContact CB-CB 4.11Å; C482-L488 WeakPolarHBondContact CB-O 3.38Å; P485-L488 HydrophobicContact CG-CD1 4.45Å; P485-L488 HydrophobicContact CG-CG 4.4Å; P485-L488 PolarHBondContact O-N 3.1Å; P486-L488 PolarHBondContact O-N 3.26Å; L488-N490 PolarHBondContact O-N 2.96Å; L488-W491 HydrophobicContact CB-CB 4.18Å; L488-W491 HydrophobicContact CD2-CG 4.45Å; L488-W491 WeakPolarHBondContact O-CB 3.44Å; L488-W491 PolarHBondContact O-N 3.11Å; L488-N497 HydrophobicContact CD2-CB 4.38Å; L488-P498 VanDerWaalsContact CD2-CD 3.46Å; L488-P498 HydrophobicContact CD2-CG 4.12Å
489	L	92.9	Very high	90.2	Very high	75 Å²	75	55.3 Å²	55.3	39%	0.393	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	129.5	-179.8	-178.2	64.7	0	0	0	110.5	Q483 P486 W491	Q483-L489 WeakPolarHBondContact O-CD1 3.19Å; P486-L489 VanDerWaalsContact O-CB 3.25Å; P486-L489 WeakPolarHBondContact O-CB 3.08Å; P486-L489 PolarHBondContact O-N 3.34Å; P486-L489 VanDerWaalsContact O-N 3.14Å; L489-W491 PolarHBondContact O-N 2.71Å
490	N	92.9	Very high	88.6	Confident	104 Å²	104	55.7 Å²	55.7	56%	0.556	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	8.7	-175	-58.5	-32.3	0	0	0	115.6	V481 C482 L488	V481-N490 WeakPolarHBondContact CG1-O 3.41Å; C482-N490 PolarHBondContact O-N 3.19Å; L488-N490 PolarHBondContact O-N 2.96Å
491	W	93.5	Very high	86.7	Confident	26 Å²	26	63.8 Å²	63.8	10%	0.098	34%	0.34	C	S	.	.			trans	-73.3	132.7	174.9	-168	-101.5	0	0	0	110.6	V481 C482 L488 L489 I493 F495 L496 P498 M506 F510	V481-W491 CarbonylContact C-O 3.47Å; V481-W491 VanDerWaalsContact CA-O 3.31Å; V481-W491 WeakPolarHBondContact CA-O 3.5Å; C482-W491 PolarHBondContact N-O 2.87Å; C482-W491 PolarHBondContact SG-O 2.91Å; C482-W491 VanDerWaalsContact SG-O 3.38Å; L488-W491 HydrophobicContact CB-CB 4.18Å; L488-W491 HydrophobicContact CD2-CG 4.45Å; L488-W491 WeakPolarHBondContact O-CB 3.44Å; L488-W491 PolarHBondContact O-N 3.11Å; L489-W491 PolarHBondContact O-N 2.71Å; W491-I493 PolarHBondContact O-N 3.49Å; W491-F495 HydrophobicContact CZ2-CB 4.47Å; W491-L496 PolarHBondContact NE1-O 3.21Å; W491-P498 HydrophobicContact CH2-CB 3.98Å; W491-P498 HydrophobicContact CZ2-CB 4.15Å; W491-P498 HydrophobicContact CZ3-CB 4.37Å; W491-M506 HydrophobicContact CD2-CE 4.23Å; W491-M506 HydrophobicContact CE3-CE 3.5Å; W491-M506 VanDerWaalsContact CE3-CE 3.5Å; W491-M506 HydrophobicContact CE3-SD 3.48Å; W491-M506 HydrophobicContact CZ3-CE 3.72Å; W491-M506 HydrophobicContact CZ3-SD 3.85Å; W491-F510 HydrophobicContact CE3-CE1 4.38Å; W491-F510 AromaticContact CH2-CE1 3.77Å; W491-F510 HydrophobicContact CH2-CE1 3.77Å; W491-F510 HydrophobicContact CH2-CZ 4.08Å; W491-F510 AromaticContact CZ3-CD1 3.87Å; W491-F510 HydrophobicContact CZ3-CD1 3.87Å; W491-F510 AromaticContact CZ3-CE1 3.46Å; W491-F510 HydrophobicContact CZ3-CE1 3.46Å; W491-F510 VanDerWaalsContact CZ3-CE1 3.46Å; W491-F510 HydrophobicContact CZ3-CZ 4.03Å
492	P	94.5	Very high	84.8	Confident	11 Å²	11	67.1 Å²	67.1	7%	0.071	35%	0.353	C	S	.	.	B	Isolated β-bridge	trans	-65.7	136.8	-176.1	-1.9	11.2	0	0	0	111.6	A480 R494 F495 P512	A480-P492 WeakPolarHBondContact O-CA 3.24Å; P492-R494 PolarHBondContact O-N 2.95Å; P492-R494 VanDerWaalsContact O-N 3.14Å; P492-F495 HydrophobicContact CB-CD2 3.7Å; P492-F495 HydrophobicContact CB-CE2 4.04Å; P492-F495 HydrophobicContact CG-CD2 3.73Å; P492-F495 HydrophobicContact CG-CE2 4.02Å; P492-F495 PolarHBondContact O-N 3.3Å; P492-P512 HydrophobicContact CG-CB 3.75Å; P492-P512 HydrophobicContact CG-CG 3.92Å
493	I	94	Very high	82.7	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-29.9	-166.1	-165.5	173.3	0	0	0	112.9	L447 W452 L458 F461 R462 L465 A480 W491	L447-I493 HydrophobicContact CD1-CD1 4.44Å; L447-I493 HydrophobicContact CD1-CG2 4.13Å; W452-I493 HydrophobicContact CB-CD1 4.14Å; W452-I493 HydrophobicContact CD2-CD1 3.79Å; W452-I493 HydrophobicContact CE3-CD1 4.4Å; W452-I493 HydrophobicContact CG-CD1 3.65Å; L458-I493 HydrophobicContact CD2-CD1 4.16Å; F461-I493 HydrophobicContact CD1-CD1 4.32Å; F461-I493 HydrophobicContact CE1-CD1 4.18Å; R462-I493 HydrophobicContact CG-CG1 4.4Å; R462-I493 VanDerWaalsContact CG-O 3.29Å; R462-I493 WeakPolarHBondContact CG-O 3.11Å; R462-I493 PolarHBondContact NH1-O 3.14Å; L465-I493 HydrophobicContact CD1-CG2 3.92Å; A480-I493 HydrophobicContact CB-CG2 3.77Å; A480-I493 WeakPolarHBondContact O-CG2 3.43Å; A480-I493 PolarHBondContact O-N 2.94Å; W491-I493 PolarHBondContact O-N 3.49Å
494	R	92.8	Very high	80.7	Confident	25 Å²	25	68.8 Å²	68.8	9%	0.094	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-37.8	-177.8	-177.6	178.6	-58.8	-112.8	-16	112.8	L465 R466 N468 I469 I471 P492	L465-R494 HydrophobicContact CB-CB 4.5Å; L465-R494 HydrophobicContact CB-CG 4.22Å; L465-R494 PolarHBondContact O-NH1 3.42Å; R466-R494 VanDerWaalsContact CD-O 3.25Å; R466-R494 WeakPolarHBondContact CD-O 3.22Å; R466-R494 HydrophobicContact CG-CG 3.89Å; R466-R494 WeakPolarHBondContact CG-O 3.5Å; R466-R494 PolarHBondContact NH1-O 2.79Å; N468-R494 PolarHBondContact O-NH1 3.37Å; N468-R494 VanDerWaalsContact O-NH1 3.13Å; I469-R494 PolarHBondContact O-NH1 3.33Å; I471-R494 PolarHBondContact O-NH2 3.48Å; P492-R494 PolarHBondContact O-N 2.95Å; P492-R494 VanDerWaalsContact O-N 3.14Å
495	F	86.7	Confident	78.5	Confident	61 Å²	61	71.1 Å²	71.1	27%	0.268	40%	0.4	S	S	.	.	S	Bend	trans	-73.5	156.7	-168.3	-68.5	-82.6	0	0	0	112.7	R462 W491 P492 P512 P513	R462-F495 VanDerWaalsContact CZ-O 3.26Å; R462-F495 PolarHBondContact NH2-O 3.27Å; W491-F495 HydrophobicContact CZ2-CB 4.47Å; P492-F495 HydrophobicContact CB-CD2 3.7Å; P492-F495 HydrophobicContact CB-CE2 4.04Å; P492-F495 HydrophobicContact CG-CD2 3.73Å; P492-F495 HydrophobicContact CG-CE2 4.02Å; P492-F495 PolarHBondContact O-N 3.3Å; F495-P512 HydrophobicContact CE2-CB 4.32Å; F495-P513 HydrophobicContact CE1-CG 4.36Å
496	L	83.7	Confident	76.3	Confident	113 Å²	113	72.5 Å²	72.5	59%	0.592	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-62	158.7	167.5	-71.6	169.3	0	0	0	110.1	R466 W491	R466-L496 VanDerWaalsContact CZ-CD2 3.49Å; W491-L496 PolarHBondContact NE1-O 3.21Å
497	N	78.9	Confident	74	Confident	93 Å²	93	74.7 Å²	74.7	50%	0.497	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-60.4	142.4	174.3	-67.2	3.1	0	0	0	109.2	R462 L488	R462-N497 PolarHBondContact NH2-OD1 2.74Å; L488-N497 HydrophobicContact CD2-CB 4.38Å
498	P	73	Confident	71.9	Confident	13 Å²	13	76.5 Å²	76.5	8%	0.084	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-57.7	152.7	175.7	31.9	-42.6	0	0	0	110.5	L488 W491 H502 V503 M506	L488-P498 VanDerWaalsContact CD2-CD 3.46Å; L488-P498 HydrophobicContact CD2-CG 4.12Å; W491-P498 HydrophobicContact CH2-CB 3.98Å; W491-P498 HydrophobicContact CZ2-CB 4.15Å; W491-P498 HydrophobicContact CZ3-CB 4.37Å; P498-H502 HydrophobicContact CB-CB 4.28Å; P498-V503 HydrophobicContact CG-CG2 4.12Å; P498-M506 HydrophobicContact CB-CE 3.86Å; P498-M506 HydrophobicContact CG-CE 3.42Å; P498-M506 VanDerWaalsContact CG-CE 3.42Å
499	P	66.5	Low	69.5	Low	78 Å²	78	83 Å²	83	51%	0.506	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-56.2	146.9	170.4	-18.4	29.1	0	0	0	110.4	Q501 H502	P499-Q501 PolarHBondContact O-N 2.86Å; P499-H502 PolarHBondContact O-N 2.77Å
500	P	61.4	Low	67.1	Low	120 Å²	120	84.3 Å²	84.3	78%	0.779	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-50.6	-30.7	-175.7	-27.2	32.9	0	0	0	114.6	H502 V503	P500-H502 PolarHBondContact O-N 3.38Å; P500-V503 WeakPolarHBondContact O-CG2 3.29Å
501	Q	57.5	Low	64.7	Low	170 Å²	170	84.8 Å²	84.8	79%	0.794	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-66.1	-17.6	179.9	-62.7	174.3	-5.1	0	0	114.2	P499	P499-Q501 PolarHBondContact O-N 2.86Å
502	H	57.1	Low	62	Low	102 Å²	102	84.8 Å²	84.8	47%	0.472	47%	0.473	S	S	.	.	G	3₁₀ helix	trans	-108.2	-5	-173.4	-64.4	77.1	0	0	0	113.8	P498 P499 P500 G504 N505	P498-H502 HydrophobicContact CB-CB 4.28Å; P499-H502 PolarHBondContact O-N 2.77Å; P500-H502 PolarHBondContact O-N 3.38Å; H502-G504 PolarHBondContact O-N 3.42Å; H502-N505 PolarHBondContact O-N 2.77Å
503	V	54.1	Low	59.1	Low	55 Å²	55	88.3 Å²	88.3	33%	0.333	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-23.3	-170.4	-179.1	0	0	0	0	112.8	Q487 P498 P500	Q487-V503 HydrophobicContact CB-CG1 3.48Å; Q487-V503 VanDerWaalsContact CB-CG1 3.48Å; Q487-V503 HydrophobicContact CG-CG1 4.11Å; P498-V503 HydrophobicContact CG-CG2 4.12Å; P500-V503 WeakPolarHBondContact O-CG2 3.29Å
504	G	54.5	Low	56.3	Low	75 Å²	75	96.7 Å²	96.7	77%	0.773	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	-5.6	179	0	0	0	0	0	116.1	H502	H502-G504 PolarHBondContact O-N 3.42Å
505	N	46.7	Very low	53.6	Low	139 Å²	139	99.7 Å²	99.7	74%	0.743	56%	0.555	S	S	*	*			trans	-112.8	13.6	-171.3	-87.7	-2.3	0	0	0	113.8	H502 Q507	H502-N505 PolarHBondContact O-N 2.77Å; N505-Q507 PolarHBondContact O-N 2.85Å
506	M	48.4	Very low	50.8	Low	59 Å²	59	105.4 Å²	105.4	29%	0.291	58%	0.583	S	S	.	*			trans	-69.1	98.1	177.8	-66	-166.6	-153.9	0	0	110.3	W491 P498	W491-M506 HydrophobicContact CD2-CE 4.23Å; W491-M506 HydrophobicContact CE3-CE 3.5Å; W491-M506 VanDerWaalsContact CE3-CE 3.5Å; W491-M506 HydrophobicContact CE3-SD 3.48Å; W491-M506 HydrophobicContact CZ3-CE 3.72Å; W491-M506 HydrophobicContact CZ3-SD 3.85Å; P498-M506 HydrophobicContact CB-CE 3.86Å; P498-M506 HydrophobicContact CG-CE 3.42Å; P498-M506 VanDerWaalsContact CG-CE 3.42Å
507	Q	43.2	Very low	48.3	Very low	153 Å²	153	104.9 Å²	104.9	72%	0.715	59%	0.589	S	S	*	*			trans	-60.9	148.2	166.8	-73.8	-175.6	-32.1	0	0	109.7	N505 N509 F510	N505-Q507 PolarHBondContact O-N 2.85Å; Q507-N509 PolarHBondContact O-N 2.79Å; Q507-F510 PolarHBondContact O-N 3.24Å; Q507-F510 VanDerWaalsContact O-N 3.11Å
508	P	45.6	Very low	46	Very low	130 Å²	130	105.5 Å²	105.5	84%	0.844	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.7	-13.6	-179.2	20.1	-31	0	0	0	114.8
509	N	41	Very low	43.9	Very low	141 Å²	141	111 Å²	111	75%	0.754	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.1	27.8	179.5	-70.2	-7.8	0	0	0	113.5	Q507 V511	Q507-N509 PolarHBondContact O-N 2.79Å; N509-V511 PolarHBondContact O-N 2.79Å
510	F	42.4	Very low	42	Very low	103 Å²	103	115.9 Å²	115.9	45%	0.452	65%	0.649	S	S	.	*			trans	-60.3	110.1	171.8	-177.9	-100.6	0	0	0	109.6	W491 Q507 P512	W491-F510 HydrophobicContact CE3-CE1 4.38Å; W491-F510 AromaticContact CH2-CE1 3.77Å; W491-F510 HydrophobicContact CH2-CE1 3.77Å; W491-F510 HydrophobicContact CH2-CZ 4.08Å; W491-F510 AromaticContact CZ3-CD1 3.87Å; W491-F510 HydrophobicContact CZ3-CD1 3.87Å; W491-F510 AromaticContact CZ3-CE1 3.46Å; W491-F510 HydrophobicContact CZ3-CE1 3.46Å; W491-F510 VanDerWaalsContact CZ3-CE1 3.46Å; W491-F510 HydrophobicContact CZ3-CZ 4.03Å; Q507-F510 PolarHBondContact O-N 3.24Å; Q507-F510 VanDerWaalsContact O-N 3.11Å; F510-P512 HydrophobicContact CE1-CB 4.31Å; F510-P512 VanDerWaalsContact O-CD 3.24Å; F510-P512 WeakPolarHBondContact O-CD 3.3Å
511	V	43.4	Very low	40.3	Very low	113 Å²	113	117.6 Å²	117.6	69%	0.685	65%	0.651	S	S	*	*			trans	-80	110.2	171.5	-177	0	0	0	0	106.4	N509	N509-V511 PolarHBondContact O-N 2.79Å
512	P	36.4	Very low	38.8	Very low	27 Å²	27	115.5 Å²	115.5	18%	0.175	65%	0.65	C	S	.	*	P	Polyproline II helix	trans	-59.9	148.2	176.3	24.5	-32	0	0	0	109.9	P492 F495 F510 Q514	P492-P512 HydrophobicContact CG-CB 3.75Å; P492-P512 HydrophobicContact CG-CG 3.92Å; F495-P512 HydrophobicContact CE2-CB 4.32Å; F510-P512 HydrophobicContact CE1-CB 4.31Å; F510-P512 VanDerWaalsContact O-CD 3.24Å; F510-P512 WeakPolarHBondContact O-CD 3.3Å; P512-Q514 PolarHBondContact O-N 3.04Å; P512-Q514 VanDerWaalsContact O-N 3.11Å
513	P	35.2	Very low	37.3	Very low	85 Å²	85	119.8 Å²	119.8	55%	0.552	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-55.8	123	177.6	21	-29.9	0	0	0	109.1	F495 V515	F495-P513 HydrophobicContact CE1-CG 4.36Å; P513-V515 PolarHBondContact O-N 3.39Å
514	Q	34.3	Very low	35.9	Very low	175 Å²	175	123.4 Å²	123.4	82%	0.818	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-64.2	135.6	173.6	-62.7	-136.6	-46.9	0	0	108	P512 E516	P512-Q514 PolarHBondContact O-N 3.04Å; P512-Q514 VanDerWaalsContact O-N 3.11Å; Q514-E516 PolarHBondContact O-N 2.96Å
515	V	35.2	Very low	34.5	Very low	88 Å²	88	129.6 Å²	129.6	53%	0.533	70%	0.702	S	S	.	*			trans	-64.2	111.3	165.5	179.4	0	0	0	0	104.8	I469 P513 S517	I469-V515 HydrophobicContact CD1-CG1 4.08Å; I469-V515 HydrophobicContact CD1-CG2 4.34Å; P513-V515 PolarHBondContact O-N 3.39Å; V515-S517 VanDerWaalsContact C-N 3.28Å; V515-S517 PolarHBondContact O-N 3.15Å
516	E	27.7	Very low	33.5	Very low	182 Å²	182	126.4 Å²	126.4	85%	0.85	70%	0.701	S	S	*	*			trans	-56.3	98.9	169.9	-77.2	178.8	170.4	0	0	107.1	Q514 S518	Q514-E516 PolarHBondContact O-N 2.96Å; E516-S518 PolarHBondContact O-N 2.79Å; E516-S518 VanDerWaalsContact O-N 3.11Å
517	S	32.5	Very low	32.4	Very low	101 Å²	101	131.7 Å²	131.7	71%	0.706	73%	0.727	S	S	*	*			trans	-61.1	113.4	168.1	49	0	0	0	0	106.6	V515 V519	V515-S517 VanDerWaalsContact C-N 3.28Å; V515-S517 PolarHBondContact O-N 3.15Å; S517-V519 PolarHBondContact O-N 3.45Å
518	S	30	Very low	31.5	Very low	106 Å²	106	132.5 Å²	132.5	74%	0.741	73%	0.731	S	S	*	*			trans	24.1	96.4	157.8	53.6	0	0	0	0	114.4	E516 E520	E516-S518 PolarHBondContact O-N 2.79Å; E516-S518 VanDerWaalsContact O-N 3.11Å; S518-E520 PolarHBondContact O-N 3.41Å; S518-E520 VanDerWaalsContact O-N 3.1Å
519	V	29.5	Very low	30.5	Very low	128 Å²	128	135.4 Å²	135.4	78%	0.776	73%	0.734	S	S	*	*			trans	-16.3	109.7	158.4	178.6	0	0	0	0	110.7	S517 L521	S517-V519 PolarHBondContact O-N 3.45Å; V519-L521 PolarHBondContact O-N 2.74Å
520	E	25.8	Very low	29.7	Very low	182 Å²	182	135.4 Å²	135.4	85%	0.85	74%	0.739	S	S	*	*			trans	-50.2	106.7	164.6	-80.9	176	150.4	0	0	106.9	S518 T522	S518-E520 PolarHBondContact O-N 3.41Å; S518-E520 VanDerWaalsContact O-N 3.1Å; E520-T522 VanDerWaalsContact C-N 3.3Å; E520-T522 PolarHBondContact O-N 3.24Å
521	L	26.8	Very low	28.9	Very low	156 Å²	156	137.2 Å²	137.2	82%	0.817	76%	0.759	S	S	*	*			trans	-62	101.4	168.7	-77.6	161.4	0	0	0	105.7	V519 E523	V519-L521 PolarHBondContact O-N 2.74Å; L521-E523 VanDerWaalsContact C-N 3.3Å; L521-E523 PolarHBondContact O-N 2.88Å
522	T	24.8	Very low	27.9	Very low	126 Å²	126	136.9 Å²	136.9	77%	0.773	76%	0.761	S	S	*	*			trans	-56.5	97.7	165.6	47.4	0	0	0	0	107.5	E520 T524	E520-T522 VanDerWaalsContact C-N 3.3Å; E520-T522 PolarHBondContact O-N 3.24Å; T522-T524 PolarHBondContact O-N 3.4Å; T522-T524 VanDerWaalsContact O-N 3.08Å
523	E	26.2	Very low	27.3	Very low	191 Å²	191	145.9 Å²	145.9	89%	0.893	79%	0.792	S	S	*	*			trans	-63	107.9	172.1	-75.7	-176.7	160.9	0	0	108	L521	L521-E523 VanDerWaalsContact C-N 3.3Å; L521-E523 PolarHBondContact O-N 2.88Å
524	T	25.6	Very low	26.8	Very low	132 Å²	132	151.5 Å²	151.5	81%	0.81	81%	0.808	S	S	*	*			trans	-76.2	127.3	168.6	28.1	0	0	0	0	107.9	T522 G526	T522-T524 PolarHBondContact O-N 3.4Å; T522-T524 VanDerWaalsContact O-N 3.08Å; T524-G526 PolarHBondContact O-N 2.87Å
525	E	24	Very low	26.3	Very low	205 Å²	205	149.5 Å²	149.5	96%	0.958	80%	0.798	S	S	*	*			trans	-49.7	120.8	176.3	-63.3	175.1	145.6	0	0	111
526	G	26.2	Very low	26	Very low	71 Å²	71	151.1 Å²	151.1	73%	0.732	81%	0.811	S	S	*	*			trans	-171.2	64.4	-174.5	0	0	0	0	0	113.8	T524	T524-G526 PolarHBondContact O-N 2.87Å
527	M	24.5	Very low	25.9	Very low	170 Å²	170	150.2 Å²	150.2	84%	0.837	81%	0.806	S	S	*	*			trans	41.4	109.8	140.5	-123.8	158.5	155.2	0	0	119.5
528	E	24.4	Very low	25.8	Very low	171 Å²	171	150.4 Å²	150.4	80%	0.799	80%	0.799	S	S	*	*			trans	46.2	101.7	141.4	-65	-176.4	159.3	0	0	118.7
529	Q	25.5	Very low	25.7	Very low	191 Å²	191	150.3 Å²	150.3	89%	0.893	80%	0.798	S	S	*	*			trans	-151.3	118.3	135	-111.1	166.4	39	0	0	111.9	T531	Q529-T531 PolarHBondContact O-N 3.34Å
530	T	23	Very low	25.9	Very low	140 Å²	140	147.8 Å²	147.8	86%	0.859	79%	0.786	S	S	*	*			trans	-50.4	114.4	174.6	46	0	0	0	0	113.1
531	T	25.7	Very low	26.2	Very low	142 Å²	142	143.3 Å²	143.3	87%	0.871	77%	0.767	S	S	*	*			trans	-129.4	130.2	152.5	49.3	0	0	0	0	109.6	Q529	Q529-T531 PolarHBondContact O-N 3.34Å
532	S	23.6	Very low	26.4	Very low	106 Å²	106	139.8 Å²	139.8	74%	0.741	75%	0.753	S	S	*	*			trans	-68.2	131.2	-166.6	56.8	0	0	0	0	113	F534	S532-F534 PolarHBondContact O-N 2.85Å
533	R	23	Very low	26.8	Very low	216 Å²	216	139.4 Å²	139.4	82%	0.815	74%	0.742	S	S	*	*			trans	3.6	101	145.4	-87.4	177.9	172.1	175.5	-5.4	115.1
534	F	23.8	Very low	27.2	Very low	203 Å²	203	135.1 Å²	135.1	89%	0.89	73%	0.729	S	S	*	*			trans	-105.9	111.5	139.4	-93	-89.2	0	0	0	106.6	S532	S532-F534 PolarHBondContact O-N 2.85Å
535	E	25.2	Very low	27.6	Very low	132 Å²	132	131.1 Å²	131.1	62%	0.617	70%	0.702	S	S	*	*			trans	-70.9	136.4	173.9	-74.8	178	167.1	0	0	109.6	H537	E535-H537 PolarHBondContact O-N 3.44Å
536	P	28.2	Very low	28.4	Very low	123 Å²	123	124 Å²	124	80%	0.799	67%	0.673	S	S	*	*			trans	-82.6	89.6	-175	32.9	-32.2	0	0	0	110.3	D538	P536-D538 PolarHBondContact O-N 2.91Å
537	H	26.1	Very low	28.9	Very low	163 Å²	163	122 Å²	122	76%	0.755	65%	0.652	S	S	*	*			trans	-89.2	78.3	158.1	-83.6	-65.7	0	0	0	108.8	E535	E535-H537 PolarHBondContact O-N 3.44Å
538	D	29.7	Very low	29.4	Very low	104 Å²	104	116.8 Å²	116.8	56%	0.556	63%	0.63	S	S	*	*			trans	-160.7	14.9	165.7	-101.1	-22.5	0	0	0	117.2	P536 S540 I541	P536-D538 PolarHBondContact O-N 2.91Å; D538-S540 PolarHBondContact O-N 2.96Å; D538-I541 VanDerWaalsContact OD1-CD1 3.28Å; D538-I541 WeakPolarHBondContact OD1-CD1 3.29Å
539	S	28.5	Very low	29.7	Very low	104 Å²	104	111 Å²	111	73%	0.727	61%	0.606	S	S	*	*	H	α-helix	trans	-71.6	-6.5	167.4	51	0	0	0	0	113.5
540	S	33.8	Very low	29.8	Very low	75 Å²	75	106.3 Å²	106.3	52%	0.524	59%	0.592	S	S	.	*	H	α-helix	trans	-84.1	-30.4	177.3	75.7	0	0	0	0	113.9	D538 V544	D538-S540 PolarHBondContact O-N 2.96Å; S540-V544 VanDerWaalsContact O-CB 3.23Å; S540-V544 WeakPolarHBondContact O-CB 3.41Å; S540-V544 WeakPolarHBondContact O-CG2 3.43Å; S540-V544 PolarHBondContact O-N 3.28Å
541	I	31.6	Very low	30.2	Very low	88 Å²	88	108.1 Å²	108.1	45%	0.451	59%	0.588	S	S	.	*	H	α-helix	trans	-70.4	-40.8	-176.7	-76.2	-177.2	0	0	0	111.2	D538 V544 L545	D538-I541 VanDerWaalsContact OD1-CD1 3.28Å; D538-I541 WeakPolarHBondContact OD1-CD1 3.29Å; I541-V544 PolarHBondContact O-N 3.46Å; I541-L545 HydrophobicContact CG2-CD1 3.64Å; I541-L545 HydrophobicContact CG2-CG 4.29Å; I541-L545 WeakPolarHBondContact O-CB 3.45Å; I541-L545 VanDerWaalsContact O-CG 3.24Å; I541-L545 WeakPolarHBondContact O-CG 3.45Å; I541-L545 PolarHBondContact O-N 3.23Å
542	V	31.8	Very low	30.5	Very low	83 Å²	83	106.4 Å²	106.4	50%	0.503	58%	0.579	S	S	.	*	H	α-helix	trans	-68.9	-41.5	179.9	-176.3	0	0	0	0	111.3	V544 L545 T546	V542-V544 VanDerWaalsContact C-N 3.35Å; V542-V544 PolarHBondContact O-N 2.89Å; V542-L545 PolarHBondContact O-N 3.37Å; V542-T546 HydrophobicContact CG1-CG2 3.91Å; V542-T546 VanDerWaalsContact O-CB 3.27Å; V542-T546 WeakPolarHBondContact O-CB 3.43Å; V542-T546 WeakPolarHBondContact O-CG2 2.98Å; V542-T546 PolarHBondContact O-N 3.17Å; V542-T546 PolarHBondContact O-OG1 3.32Å
543	E	32.2	Very low	31	Very low	117 Å²	117	104.1 Å²	104.1	55%	0.547	56%	0.559	S	S	.	*	H	α-helix	trans	-66	-36.2	174.5	-73.1	-166.4	157.3	0	0	112.2	T548	E543-T548 PolarHBondContact O-OG1 3.27Å
544	V	34.6	Very low	31.4	Very low	102 Å²	102	100 Å²	100	62%	0.618	55%	0.546	S	S	*	.	H	α-helix	trans	-68.5	-37	177.3	168.9	0	0	0	0	111.9	S540 I541 V542	S540-V544 VanDerWaalsContact O-CB 3.23Å; S540-V544 WeakPolarHBondContact O-CB 3.41Å; S540-V544 WeakPolarHBondContact O-CG2 3.43Å; S540-V544 PolarHBondContact O-N 3.28Å; I541-V544 PolarHBondContact O-N 3.46Å; V542-V544 VanDerWaalsContact C-N 3.35Å; V542-V544 PolarHBondContact O-N 2.89Å
545	L	33.5	Very low	32	Very low	48 Å²	48	98.2 Å²	98.2	25%	0.251	54%	0.541	S	S	.	.	H	α-helix	trans	-84.2	-31.4	-178.9	-67.2	174.7	0	0	0	113.7	Y391 I541 V542 G547	Y391-L545 HydrophobicContact CD1-CB 3.93Å; Y391-L545 HydrophobicContact CD1-CD1 4.43Å; Y391-L545 HydrophobicContact CD1-CD2 4.43Å; Y391-L545 HydrophobicContact CE1-CB 3.54Å; Y391-L545 HydrophobicContact CE1-CD1 4.01Å; Y391-L545 HydrophobicContact CE1-CG 4.29Å; Y391-L545 HydrophobicContact CE2-CD1 4.34Å; I541-L545 HydrophobicContact CG2-CD1 3.64Å; I541-L545 HydrophobicContact CG2-CG 4.29Å; I541-L545 WeakPolarHBondContact O-CB 3.45Å; I541-L545 VanDerWaalsContact O-CG 3.24Å; I541-L545 WeakPolarHBondContact O-CG 3.45Å; I541-L545 PolarHBondContact O-N 3.23Å; V542-L545 PolarHBondContact O-N 3.37Å; L545-G547 VanDerWaalsContact C-N 3.32Å; L545-G547 PolarHBondContact O-N 3.44Å
546	T	42.3	Very low	32.4	Very low	55 Å²	55	94.9 Å²	94.9	34%	0.337	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	1.7	-176	57.8	0	0	0	0	114.6	V542	V542-T546 HydrophobicContact CG1-CG2 3.91Å; V542-T546 VanDerWaalsContact O-CB 3.27Å; V542-T546 WeakPolarHBondContact O-CB 3.43Å; V542-T546 WeakPolarHBondContact O-CG2 2.98Å; V542-T546 PolarHBondContact O-N 3.17Å; V542-T546 PolarHBondContact O-OG1 3.32Å
547	G	35.1	Very low	32.7	Very low	30 Å²	30	93.6 Å²	93.6	31%	0.309	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.5	20.2	168.2	0	0	0	0	0	115.2	L545 V549	L545-G547 VanDerWaalsContact C-N 3.32Å; L545-G547 PolarHBondContact O-N 3.44Å; G547-V549 PolarHBondContact O-N 3.43Å
548	T	35	Very low	33.2	Very low	59 Å²	59	91.7 Å²	91.7	36%	0.362	51%	0.505	S	S	.	.			trans	-69.6	102.9	163.4	44.2	0	0	0	0	108.6	E543	E543-T548 PolarHBondContact O-OG1 3.27Å
549	V	31	Very low	33.6	Very low	51 Å²	51	89.9 Å²	89.9	31%	0.309	50%	0.504	S	S	.	.			trans	-45.8	128.9	169.4	178.6	0	0	0	0	108.7	G547 K551 L553	G547-V549 PolarHBondContact O-N 3.43Å; V549-K551 PolarHBondContact O-N 3.02Å; V549-L553 HydrophobicContact CG1-CB 3.28Å; V549-L553 HydrophobicContact CG1-CD1 3.91Å; V549-L553 HydrophobicContact CG1-CG 4.22Å
550	P	28.1	Very low	34.1	Very low	92 Å²	92	88.5 Å²	88.5	60%	0.597	50%	0.499	S	S	*	.			trans	-48.7	136	-179.9	-27.8	33.8	0	0	0	110.8	P552 L553	P550-P552 WeakPolarHBondContact O-CD 3.43Å; P550-L553 PolarHBondContact O-N 3.38Å
551	K	31.8	Very low	34.3	Very low	178 Å²	178	88.9 Å²	88.9	77%	0.774	50%	0.501	S	S	*	.	H	α-helix	trans	-43.3	-29.1	-168.2	-79.4	176.7	177.7	169	0	117	V549 L553	V549-K551 PolarHBondContact O-N 3.02Å; K551-L553 VanDerWaalsContact C-N 3.28Å; K551-L553 PolarHBondContact O-N 3.26Å
552	P	32.6	Very low	34.3	Very low	105 Å²	105	93 Å²	93	68%	0.682	52%	0.518	S	S	*	.	H	α-helix	trans	-63.8	-26.5	176.2	-22.3	33.8	0	0	0	115	P550	P550-P552 WeakPolarHBondContact O-CD 3.43Å
553	L	32.1	Very low	34.4	Very low	58 Å²	58	91.4 Å²	91.4	30%	0.304	52%	0.519	S	S	.	.	H	α-helix	trans	-92.9	-21.9	-173.2	-87.7	154.2	0	0	0	113.8	V549 P550 K551 Q555 L556	V549-L553 HydrophobicContact CG1-CB 3.28Å; V549-L553 HydrophobicContact CG1-CD1 3.91Å; V549-L553 HydrophobicContact CG1-CG 4.22Å; P550-L553 PolarHBondContact O-N 3.38Å; K551-L553 VanDerWaalsContact C-N 3.28Å; K551-L553 PolarHBondContact O-N 3.26Å; L553-Q555 VanDerWaalsContact C-N 3.34Å; L553-Q555 PolarHBondContact O-N 3.46Å; L553-L556 PolarHBondContact O-N 3.01Å
554	K	31.7	Very low	34.3	Very low	129 Å²	129	99.3 Å²	99.3	56%	0.561	55%	0.551	S	S	*	*	H	α-helix	trans	-70.4	-28.1	-178.2	-140.1	177.3	-171.6	178.9	0	113.1	L556	K554-L556 VanDerWaalsContact C-N 3.31Å
555	Q	36.2	Very low	34.3	Very low	166 Å²	166	99.2 Å²	99.2	78%	0.776	55%	0.548	S	S	*	.	H	α-helix	trans	-72.6	-23.1	176.4	-71.1	-172.9	-9.7	0	0	112.8	L553	L553-Q555 VanDerWaalsContact C-N 3.34Å; L553-Q555 PolarHBondContact O-N 3.46Å
556	L	34.5	Very low	34.3	Very low	62 Å²	62	101.8 Å²	101.8	33%	0.325	56%	0.563	S	S	.	*	H	α-helix	trans	-80.5	-35.6	179.7	-82.5	156.4	0	0	0	113.1	L553 K554 N558 A559 A560	L553-L556 PolarHBondContact O-N 3.01Å; K554-L556 VanDerWaalsContact C-N 3.31Å; L556-N558 VanDerWaalsContact C-N 3.28Å; L556-N558 PolarHBondContact O-N 3.04Å; L556-A559 PolarHBondContact O-N 2.78Å; L556-A559 VanDerWaalsContact O-N 3.1Å; L556-A560 PolarHBondContact O-N 2.99Å; L556-A560 VanDerWaalsContact O-N 3.13Å
557	F	33.7	Very low	33.9	Very low	97 Å²	97	104.4 Å²	104.4	43%	0.425	58%	0.576	S	S	.	*	H	α-helix	trans	-64.2	-31.2	177.4	-93.3	-82.2	0	0	0	113.4	Y277 S561	Y277-F557 WeakPolarHBondContact OH-CZ 3.42Å; F557-S561 PolarHBondContact O-OG 3.17Å
558	N	37.4	Very low	33.8	Very low	123 Å²	123	108.8 Å²	108.8	66%	0.658	59%	0.592	S	S	*	*	H	α-helix	trans	-76.9	-22.2	175.2	-74.7	-7.2	0	0	0	113.1	L556 S561	L556-N558 VanDerWaalsContact C-N 3.28Å; L556-N558 PolarHBondContact O-N 3.04Å; N558-S561 PolarHBondContact O-OG 3.48Å
559	A	38.1	Very low	33.8	Very low	66 Å²	66	111.9 Å²	111.9	55%	0.545	61%	0.606	S	S	.	*	H	α-helix	trans	-82.6	-36.1	177.6	0	0	0	0	0	112	L556 H562	L556-A559 PolarHBondContact O-N 2.78Å; L556-A559 VanDerWaalsContact O-N 3.1Å; A559-H562 PolarHBondContact O-N 3.22Å
560	A	38.5	Very low	33.9	Very low	75 Å²	75	116 Å²	116	62%	0.62	63%	0.626	S	S	*	*	H	α-helix	trans	-73.8	-27.5	-178.8	0	0	0	0	0	113.6	L556 H562	L556-A560 PolarHBondContact O-N 2.99Å; L556-A560 VanDerWaalsContact O-N 3.13Å; A560-H562 PolarHBondContact O-N 2.89Å
561	S	37.8	Very low	34.4	Very low	82 Å²	82	117.7 Å²	117.7	57%	0.573	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	-7.9	177.3	59.5	0	0	0	0	114	F557 N558	F557-S561 PolarHBondContact O-OG 3.17Å; N558-S561 PolarHBondContact O-OG 3.48Å
562	H	32.7	Very low	34.6	Very low	175 Å²	175	113.1 Å²	113.1	81%	0.81	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.1	8	177.4	-73.4	-18.1	0	0	0	114.8	A559 A560	A559-H562 PolarHBondContact O-N 3.22Å; A560-H562 PolarHBondContact O-N 2.89Å
563	G	33	Very low	34.7	Very low	49 Å²	49	113.8 Å²	113.8	51%	0.505	61%	0.611	S	S	.	*			trans	-118.3	100.1	170.7	0	0	0	0	0	111.9
564	K	31	Very low	35	Very low	283 Å²	283	118.8 Å²	118.8	100%	1.23	64%	0.639	S	S	*	*			trans	-62.9	0	140	-78.3	-179.6	175.4	177.8	0	108.7

Retrieved 564 of 564 residues in 997 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).