A0A096MRM9_PAPAN Loading...

Transmembrane protease serine

AlphaFold DB , UniProt , Accession A0A096MRM9, Species PAPAN (Papio anubis, Olive baboon), Gene TMPRSS11D, Length 418 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.4	Very low	51.3	Low	246 Å²	246	157.1 Å²	157.1	100%	1.212	82%	0.823	S	S	*	*				0	97.1	0	-97	175.7	168.5	0	0	108.7
2	Y	44.6	Very low	52.1	Low	243 Å²	243	163.3 Å²	163.3	95%	0.953	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-76.8	117.8	172.8	-96.1	-92.8	0	0	0	108.9
3	R	49.1	Very low	52.8	Low	241 Å²	241	164.8 Å²	164.8	91%	0.909	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-88.7	129.2	169.5	-106.3	-177.2	177.9	-178.4	0.3	108.5
4	P	52.9	Low	53.8	Low	121 Å²	121	161.3 Å²	161.3	79%	0.786	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-73.8	132.4	172	18.6	-11.4	0	0	0	109.9	R6	P4-R6 PolarHBondContact O-N 3.39Å
5	A	52.1	Low	55.6	Low	97 Å²	97	156.1 Å²	156.1	80%	0.802	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-69.3	117.4	168.9	0	0	0	0	0	109.1	V7	A5-V7 PolarHBondContact O-N 3.34Å
6	R	54.1	Low	57.3	Low	243 Å²	243	152.6 Å²	152.6	92%	0.917	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-69.6	118.8	164.8	-89.3	-179.3	178.7	169.9	-0.7	108.2	P4 P8	P4-R6 PolarHBondContact O-N 3.39Å; R6-P8 WeakPolarHBondContact O-CD 3.41Å
7	V	60.7	Low	58.8	Low	134 Å²	134	154.6 Å²	154.6	81%	0.812	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-70.5	121.7	164.4	-178.3	0	0	0	0	107.8	A5 S9	A5-V7 PolarHBondContact O-N 3.34Å; V7-S9 PolarHBondContact O-N 3.05Å
8	P	50.1	Low	60.1	Low	104 Å²	104	149.6 Å²	149.6	68%	0.675	75%	0.753	S	S	*	*			trans	-77.3	111.2	169.4	2.2	14.8	0	0	0	108.3	R6 T10	R6-P8 WeakPolarHBondContact O-CD 3.41Å; P8-T10 PolarHBondContact O-N 3.34Å; P8-T10 VanDerWaalsContact O-N 3.08Å
9	S	53.9	Low	61.4	Low	106 Å²	106	145.2 Å²	145.2	74%	0.741	73%	0.734	S	S	*	*			trans	-71.7	92.8	164	165.4	0	0	0	0	108.7	V7 S11	V7-S9 PolarHBondContact O-N 3.05Å; S9-S11 PolarHBondContact O-N 3.36Å
10	T	49.8	Very low	62.8	Low	116 Å²	116	141.8 Å²	141.8	71%	0.712	72%	0.723	S	S	*	*			trans	-85.5	76.5	169.1	38.7	0	0	0	0	109.9	P8 R12	P8-T10 PolarHBondContact O-N 3.34Å; P8-T10 VanDerWaalsContact O-N 3.08Å; T10-R12 PolarHBondContact O-N 3.31Å
11	S	54.7	Low	64.1	Low	77 Å²	77	142.3 Å²	142.3	54%	0.538	72%	0.721	S	S	.	*			trans	-72.1	87.4	160.1	49.8	0	0	0	0	108.2	S9 F13	S9-S11 PolarHBondContact O-N 3.36Å; S11-F13 VanDerWaalsContact C-N 3.28Å; S11-F13 PolarHBondContact O-N 3.21Å
12	R	61.1	Low	66.4	Low	232 Å²	232	135.2 Å²	135.2	88%	0.875	69%	0.687	S	S	*	*			trans	-69.6	88.7	169.1	-76.2	-176.1	-178.3	174.1	1.2	108.3	T10 L14	T10-R12 PolarHBondContact O-N 3.31Å; R12-L14 PolarHBondContact O-N 2.98Å
13	F	61.3	Low	68.6	Low	183 Å²	183	127.8 Å²	127.8	80%	0.803	67%	0.667	S	S	*	*			trans	-67.3	113.7	164.7	-76.3	-82.2	0	0	0	107.9	S11	S11-F13 VanDerWaalsContact C-N 3.28Å; S11-F13 PolarHBondContact O-N 3.21Å
14	L	66.6	Low	70.7	Confident	115 Å²	115	120.2 Å²	120.2	60%	0.602	65%	0.647	S	S	*	*			trans	-58.1	137.4	172.6	-81.7	148.8	0	0	0	109.1	R12 V18 V19	R12-L14 PolarHBondContact O-N 2.98Å; L14-V18 HydrophobicContact CD2-CG1 4.14Å; L14-V19 HydrophobicContact CB-CG2 3.53Å
15	N	80.6	Confident	72.6	Confident	84 Å²	84	116 Å²	116	45%	0.449	62%	0.623	S	S	.	*			trans	-53.8	129.3	175.9	177.5	-24.1	0	0	0	109.2	Y17 V18 V19	N15-Y17 PolarHBondContact O-N 3.3Å; N15-Y17 VanDerWaalsContact O-N 3.09Å; N15-Y17 VanDerWaalsContact OD1-CD2 3.29Å; N15-Y17 WeakPolarHBondContact OD1-CD2 3.27Å; N15-Y17 PolarHBondContact OD1-N 3.21Å; N15-V18 HydrophobicContact CB-CB 4.29Å; N15-V18 HydrophobicContact CB-CG2 3.91Å; N15-V18 WeakPolarHBondContact O-CA 3.38Å; N15-V18 WeakPolarHBondContact O-CB 3.44Å; N15-V18 PolarHBondContact O-N 3.35Å; N15-V19 PolarHBondContact O-N 3.09Å
16	P	82.4	Confident	74.7	Confident	99 Å²	99	113.2 Å²	113.2	64%	0.643	60%	0.603	S	S	*	*	H	α-helix	trans	-54.7	-31	-176.8	19.7	-32.8	0	0	0	113.6	V19 C20	P16-V19 PolarHBondContact O-N 3.34Å; P16-C20 WeakPolarHBondContact O-CB 3.2Å; P16-C20 PolarHBondContact O-N 3.08Å
17	Y	82.6	Confident	76.6	Confident	188 Å²	188	106 Å²	106	74%	0.737	59%	0.586	S	S	*	*	H	α-helix	trans	-67.9	-36.8	173.9	-65.7	-73.9	0	0	0	112.6	N15 F21	N15-Y17 PolarHBondContact O-N 3.3Å; N15-Y17 VanDerWaalsContact O-N 3.09Å; N15-Y17 VanDerWaalsContact OD1-CD2 3.29Å; N15-Y17 WeakPolarHBondContact OD1-CD2 3.27Å; N15-Y17 PolarHBondContact OD1-N 3.21Å; Y17-F21 WeakPolarHBondContact O-CB 3.16Å; Y17-F21 PolarHBondContact O-N 3.24Å
18	V	83	Confident	78.3	Confident	64 Å²	64	103.4 Å²	103.4	39%	0.388	57%	0.57	S	S	.	*	H	α-helix	trans	-70	-40.6	176	177.3	0	0	0	0	110.3	L14 N15 F21 I22	L14-V18 HydrophobicContact CD2-CG1 4.14Å; N15-V18 HydrophobicContact CB-CB 4.29Å; N15-V18 HydrophobicContact CB-CG2 3.91Å; N15-V18 WeakPolarHBondContact O-CA 3.38Å; N15-V18 WeakPolarHBondContact O-CB 3.44Å; N15-V18 PolarHBondContact O-N 3.35Å; V18-F21 PolarHBondContact O-N 3.32Å; V18-I22 HydrophobicContact CG1-CD1 3.89Å; V18-I22 VanDerWaalsContact O-CG1 3.27Å; V18-I22 WeakPolarHBondContact O-CG1 3.23Å; V18-I22 PolarHBondContact O-N 3.13Å
19	V	84.4	Confident	80.4	Confident	65 Å²	65	103.7 Å²	103.7	39%	0.394	57%	0.565	S	S	.	*	H	α-helix	trans	-62.1	-46.9	174.3	-179.9	0	0	0	0	110.6	L14 N15 P16 F21 I22 V23	L14-V19 HydrophobicContact CB-CG2 3.53Å; N15-V19 PolarHBondContact O-N 3.09Å; P16-V19 PolarHBondContact O-N 3.34Å; V19-F21 PolarHBondContact O-N 2.85Å; V19-I22 PolarHBondContact O-N 2.75Å; V19-V23 HydrophobicContact CG1-CG2 4.43Å; V19-V23 VanDerWaalsContact O-CG2 3.29Å; V19-V23 WeakPolarHBondContact O-CG2 3.16Å; V19-V23 PolarHBondContact O-N 3.29Å
20	C	88.9	Confident	82.4	Confident	77 Å²	77	103.6 Å²	103.6	52%	0.52	56%	0.556	S	S	.	*	H	α-helix	trans	-58.7	-46.6	176.9	-173.3	0	0	0	0	111.7	P16 I22 V23 V24	P16-C20 WeakPolarHBondContact O-CB 3.2Å; P16-C20 PolarHBondContact O-N 3.08Å; C20-I22 PolarHBondContact O-N 3.13Å; C20-V23 PolarHBondContact O-N 2.87Å; C20-V24 VanDerWaalsContact O-CG2 3.31Å; C20-V24 WeakPolarHBondContact O-CG2 3.15Å; C20-V24 PolarHBondContact O-N 2.85Å
21	F	90.9	Very high	84.5	Confident	153 Å²	153	100.8 Å²	100.8	67%	0.671	54%	0.544	S	S	*	.	H	α-helix	trans	-61.1	-44.7	178.1	-175.4	-94.2	0	0	0	112.5	Y17 V18 V19 V23 V24 A25	Y17-F21 WeakPolarHBondContact O-CB 3.16Å; Y17-F21 PolarHBondContact O-N 3.24Å; V18-F21 PolarHBondContact O-N 3.32Å; V19-F21 PolarHBondContact O-N 2.85Å; F21-V23 VanDerWaalsContact C-N 3.35Å; F21-V23 PolarHBondContact O-N 3.46Å; F21-V24 PolarHBondContact O-N 2.96Å; F21-A25 VanDerWaalsContact O-CB 3.23Å; F21-A25 WeakPolarHBondContact O-CB 3.43Å; F21-A25 PolarHBondContact O-N 2.77Å
22	I	90.2	Very high	86.4	Confident	98 Å²	98	100.8 Å²	100.8	50%	0.503	54%	0.541	S	S	.	.	H	α-helix	trans	-63	-42.5	178	-69.2	167.8	0	0	0	110.9	V18 V19 C20 G26	V18-I22 HydrophobicContact CG1-CD1 3.89Å; V18-I22 VanDerWaalsContact O-CG1 3.27Å; V18-I22 WeakPolarHBondContact O-CG1 3.23Å; V18-I22 PolarHBondContact O-N 3.13Å; V19-I22 PolarHBondContact O-N 2.75Å; C20-I22 PolarHBondContact O-N 3.13Å; I22-G26 PolarHBondContact O-N 2.81Å
23	V	91.6	Very high	87.9	Confident	86 Å²	86	92.5 Å²	92.5	52%	0.521	52%	0.516	S	S	.	.	H	α-helix	trans	-64.6	-48.1	178.4	172.3	0	0	0	0	110.7	V19 C20 F21 A25 G26 V27	V19-V23 HydrophobicContact CG1-CG2 4.43Å; V19-V23 VanDerWaalsContact O-CG2 3.29Å; V19-V23 WeakPolarHBondContact O-CG2 3.16Å; V19-V23 PolarHBondContact O-N 3.29Å; C20-V23 PolarHBondContact O-N 2.87Å; F21-V23 VanDerWaalsContact C-N 3.35Å; F21-V23 PolarHBondContact O-N 3.46Å; V23-A25 PolarHBondContact O-N 2.84Å; V23-G26 PolarHBondContact O-N 3.2Å; V23-V27 HydrophobicContact CG1-CG2 4.48Å; V23-V27 VanDerWaalsContact O-CG2 3.31Å; V23-V27 WeakPolarHBondContact O-CG2 3.32Å; V23-V27 PolarHBondContact O-N 3.46Å
24	V	93.4	Very high	89.4	Confident	82 Å²	82	88.1 Å²	88.1	50%	0.497	50%	0.5	S	S	.	.	H	α-helix	trans	-62	-46.1	178.4	172.6	0	0	0	0	110.8	C20 F21 G26 V27 V28	C20-V24 VanDerWaalsContact O-CG2 3.31Å; C20-V24 WeakPolarHBondContact O-CG2 3.15Å; C20-V24 PolarHBondContact O-N 2.85Å; F21-V24 PolarHBondContact O-N 2.96Å; V24-G26 VanDerWaalsContact C-N 3.33Å; V24-G26 PolarHBondContact O-N 3.05Å; V24-V27 PolarHBondContact O-N 3.47Å; V24-V28 HydrophobicContact CG1-CG2 4.4Å; V24-V28 VanDerWaalsContact O-CG2 3.3Å; V24-V28 WeakPolarHBondContact O-CG2 3.28Å; V24-V28 PolarHBondContact O-N 2.86Å
25	A	93.3	Very high	90.4	Very high	34 Å²	34	85.4 Å²	85.4	28%	0.281	49%	0.494	S	S	.	.	H	α-helix	trans	-60.4	-43	176.6	0	0	0	0	0	111.7	F21 V23 V28 I29	F21-A25 VanDerWaalsContact O-CB 3.23Å; F21-A25 WeakPolarHBondContact O-CB 3.43Å; F21-A25 PolarHBondContact O-N 2.77Å; V23-A25 PolarHBondContact O-N 2.84Å; A25-V28 PolarHBondContact O-N 3.31Å; A25-I29 WeakPolarHBondContact O-CB 3.21Å; A25-I29 WeakPolarHBondContact O-CD1 3.17Å; A25-I29 VanDerWaalsContact O-CG1 3.23Å; A25-I29 WeakPolarHBondContact O-CG1 3.32Å; A25-I29 PolarHBondContact O-N 3.41Å
26	G	94.5	Very high	90.6	Very high	38 Å²	38	85.5 Å²	85.5	39%	0.392	49%	0.494	S	S	.	.	H	α-helix	trans	-61.7	-43.9	175.9	0	0	0	0	0	112.9	I22 V23 V24 I29 L30	I22-G26 PolarHBondContact O-N 2.81Å; V23-G26 PolarHBondContact O-N 3.2Å; V24-G26 VanDerWaalsContact C-N 3.33Å; V24-G26 PolarHBondContact O-N 3.05Å; G26-I29 PolarHBondContact O-N 3.35Å; G26-L30 WeakPolarHBondContact O-CB 3.42Å; G26-L30 PolarHBondContact O-N 3.03Å
27	V	95.2	Very high	90.5	Very high	91 Å²	91	85.7 Å²	85.7	55%	0.552	49%	0.489	S	S	*	.	H	α-helix	trans	-64.6	-42.1	176.4	172.4	0	0	0	0	111.2	V23 V24 L30 A31	V23-V27 HydrophobicContact CG1-CG2 4.48Å; V23-V27 VanDerWaalsContact O-CG2 3.31Å; V23-V27 WeakPolarHBondContact O-CG2 3.32Å; V23-V27 PolarHBondContact O-N 3.46Å; V24-V27 PolarHBondContact O-N 3.47Å; V27-L30 PolarHBondContact O-N 2.73Å; V27-A31 WeakPolarHBondContact O-CB 3.35Å; V27-A31 PolarHBondContact O-N 3.07Å
28	V	95.3	Very high	90.4	Very high	79 Å²	79	80.4 Å²	80.4	48%	0.479	48%	0.476	S	S	.	.	H	α-helix	trans	-64.6	-44.8	177.2	171.3	0	0	0	0	111	V24 A25 L30 A31 V32	V24-V28 HydrophobicContact CG1-CG2 4.4Å; V24-V28 VanDerWaalsContact O-CG2 3.3Å; V24-V28 WeakPolarHBondContact O-CG2 3.28Å; V24-V28 PolarHBondContact O-N 2.86Å; A25-V28 PolarHBondContact O-N 3.31Å; V28-L30 VanDerWaalsContact C-N 3.34Å; V28-L30 PolarHBondContact O-N 3.04Å; V28-A31 PolarHBondContact O-N 3.27Å; V28-V32 HydrophobicContact CG1-CG2 4.35Å; V28-V32 WeakPolarHBondContact O-CB 3.29Å; V28-V32 VanDerWaalsContact O-CG2 3.3Å; V28-V32 WeakPolarHBondContact O-CG2 3.46Å; V28-V32 PolarHBondContact O-N 3.44Å
29	I	95.6	Very high	90.2	Very high	111 Å²	111	83.7 Å²	83.7	57%	0.569	48%	0.483	S	S	*	.	H	α-helix	trans	-61.5	-44	176.5	-69.1	165.2	0	0	0	110.4	A25 G26 V32 T33	A25-I29 WeakPolarHBondContact O-CB 3.21Å; A25-I29 WeakPolarHBondContact O-CD1 3.17Å; A25-I29 VanDerWaalsContact O-CG1 3.23Å; A25-I29 WeakPolarHBondContact O-CG1 3.32Å; A25-I29 PolarHBondContact O-N 3.41Å; G26-I29 PolarHBondContact O-N 3.35Å; I29-V32 PolarHBondContact O-N 3.48Å; I29-T33 HydrophobicContact CG2-CG2 4.33Å; I29-T33 WeakPolarHBondContact O-CB 3.42Å; I29-T33 VanDerWaalsContact O-CG2 3.26Å; I29-T33 WeakPolarHBondContact O-CG2 3.44Å; I29-T33 PolarHBondContact O-N 2.93Å; I29-T33 PolarHBondContact O-OG1 3.45Å
30	L	95.5	Very high	89.5	Confident	104 Å²	104	85.9 Å²	85.9	55%	0.545	49%	0.487	S	S	.	.	H	α-helix	trans	-62.9	-43.5	176.8	-173.8	65.6	0	0	0	111.5	G26 V27 V28 T33 I34	G26-L30 WeakPolarHBondContact O-CB 3.42Å; G26-L30 PolarHBondContact O-N 3.03Å; V27-L30 PolarHBondContact O-N 2.73Å; V28-L30 VanDerWaalsContact C-N 3.34Å; V28-L30 PolarHBondContact O-N 3.04Å; L30-T33 WeakPolarHBondContact CA-OG1 3.4Å; L30-T33 PolarHBondContact O-N 3.44Å; L30-T33 PolarHBondContact O-OG1 2.89Å; L30-I34 HydrophobicContact CD1-CD1 4.12Å; L30-I34 HydrophobicContact CD1-CG1 4.43Å; L30-I34 HydrophobicContact CG-CD1 3.88Å; L30-I34 WeakPolarHBondContact O-CB 3.39Å; L30-I34 VanDerWaalsContact O-CG1 3.23Å; L30-I34 WeakPolarHBondContact O-CG1 3.46Å; L30-I34 PolarHBondContact O-N 2.94Å
31	A	94.2	Very high	88.5	Confident	57 Å²	57	87.6 Å²	87.6	47%	0.471	49%	0.491	S	S	.	.	H	α-helix	trans	-63	-44.6	177.5	0	0	0	0	0	112	V27 V28 I34 A35	V27-A31 WeakPolarHBondContact O-CB 3.35Å; V27-A31 PolarHBondContact O-N 3.07Å; V28-A31 PolarHBondContact O-N 3.27Å; A31-I34 PolarHBondContact O-N 3.45Å; A31-A35 VanDerWaalsContact O-CB 3.27Å; A31-A35 WeakPolarHBondContact O-CB 3.39Å; A31-A35 PolarHBondContact O-N 3.24Å
32	V	94.6	Very high	87.3	Confident	76 Å²	76	82.9 Å²	82.9	46%	0.461	48%	0.48	S	S	.	.	H	α-helix	trans	-65.7	-42.5	177.6	171.5	0	0	0	0	111.2	V28 I29 A35 L36	V28-V32 HydrophobicContact CG1-CG2 4.35Å; V28-V32 WeakPolarHBondContact O-CB 3.29Å; V28-V32 VanDerWaalsContact O-CG2 3.3Å; V28-V32 WeakPolarHBondContact O-CG2 3.46Å; V28-V32 PolarHBondContact O-N 3.44Å; I29-V32 PolarHBondContact O-N 3.48Å; V32-A35 PolarHBondContact O-N 2.9Å; V32-L36 HydrophobicContact CG1-CD1 3.86Å; V32-L36 HydrophobicContact CG1-CG 4.31Å; V32-L36 WeakPolarHBondContact O-CB 3.47Å; V32-L36 VanDerWaalsContact O-CG 3.29Å; V32-L36 WeakPolarHBondContact O-CG 3.06Å; V32-L36 PolarHBondContact O-N 3.01Å
33	T	92.5	Very high	86.1	Confident	59 Å²	59	85.2 Å²	85.2	36%	0.362	49%	0.487	S	S	.	.	H	α-helix	trans	-65.9	-41.7	178	50.4	0	0	0	0	112	I29 L30 L36 L37	I29-T33 HydrophobicContact CG2-CG2 4.33Å; I29-T33 WeakPolarHBondContact O-CB 3.42Å; I29-T33 VanDerWaalsContact O-CG2 3.26Å; I29-T33 WeakPolarHBondContact O-CG2 3.44Å; I29-T33 PolarHBondContact O-N 2.93Å; I29-T33 PolarHBondContact O-OG1 3.45Å; L30-T33 WeakPolarHBondContact CA-OG1 3.4Å; L30-T33 PolarHBondContact O-N 3.44Å; L30-T33 PolarHBondContact O-OG1 2.89Å; T33-L36 PolarHBondContact O-N 3.38Å; T33-L37 WeakPolarHBondContact O-CB 3.44Å; T33-L37 VanDerWaalsContact O-CG 3.28Å; T33-L37 WeakPolarHBondContact O-CG 3.39Å; T33-L37 PolarHBondContact O-N 2.69Å
34	I	92.1	Very high	85.1	Confident	90 Å²	90	83.9 Å²	83.9	46%	0.462	48%	0.477	S	S	.	.	H	α-helix	trans	-62.5	-45.9	172.8	-68	168.9	0	0	0	110.4	L30 A31 L36 L37 V38	L30-I34 HydrophobicContact CD1-CD1 4.12Å; L30-I34 HydrophobicContact CD1-CG1 4.43Å; L30-I34 HydrophobicContact CG-CD1 3.88Å; L30-I34 WeakPolarHBondContact O-CB 3.39Å; L30-I34 VanDerWaalsContact O-CG1 3.23Å; L30-I34 WeakPolarHBondContact O-CG1 3.46Å; L30-I34 PolarHBondContact O-N 2.94Å; A31-I34 PolarHBondContact O-N 3.45Å; I34-L36 PolarHBondContact O-N 3.16Å; I34-L37 PolarHBondContact O-N 3.37Å; I34-V38 HydrophobicContact CG2-CG2 4.32Å; I34-V38 WeakPolarHBondContact O-CB 3.27Å; I34-V38 VanDerWaalsContact O-CG2 3.31Å; I34-V38 WeakPolarHBondContact O-CG2 3.48Å; I34-V38 PolarHBondContact O-N 3.12Å
35	A	87.6	Confident	84.1	Confident	59 Å²	59	83.5 Å²	83.5	49%	0.488	47%	0.47	S	S	.	.	H	α-helix	trans	-61.5	-43	178.8	0	0	0	0	0	112.1	A31 V32 V38 Y39	A31-A35 VanDerWaalsContact O-CB 3.27Å; A31-A35 WeakPolarHBondContact O-CB 3.39Å; A31-A35 PolarHBondContact O-N 3.24Å; V32-A35 PolarHBondContact O-N 2.9Å; A35-V38 PolarHBondContact O-N 3.3Å; A35-Y39 VanDerWaalsContact O-CB 3.3Å; A35-Y39 WeakPolarHBondContact O-CB 3.29Å; A35-Y39 PolarHBondContact O-N 3.35Å
36	L	83.9	Confident	83.7	Confident	85 Å²	85	86.8 Å²	86.8	45%	0.445	48%	0.477	S	S	.	.	H	α-helix	trans	-65.3	-41.8	174.7	-73.6	172.4	0	0	0	111.7	V32 T33 I34 Y39 F40	V32-L36 HydrophobicContact CG1-CD1 3.86Å; V32-L36 HydrophobicContact CG1-CG 4.31Å; V32-L36 WeakPolarHBondContact O-CB 3.47Å; V32-L36 VanDerWaalsContact O-CG 3.29Å; V32-L36 WeakPolarHBondContact O-CG 3.06Å; V32-L36 PolarHBondContact O-N 3.01Å; T33-L36 PolarHBondContact O-N 3.38Å; I34-L36 PolarHBondContact O-N 3.16Å; L36-Y39 WeakPolarHBondContact O-CB 3.46Å; L36-Y39 PolarHBondContact O-N 3.41Å; L36-F40 HydrophobicContact CB-CD2 4.44Å; L36-F40 HydrophobicContact CB-CE2 4.47Å; L36-F40 HydrophobicContact CD2-CE2 4.28Å; L36-F40 WeakPolarHBondContact O-CD2 2.87Å; L36-F40 PolarHBondContact O-N 3.22Å
37	L	81.3	Confident	83.4	Confident	103 Å²	103	87.3 Å²	87.3	54%	0.539	48%	0.475	S	S	.	.	H	α-helix	trans	-62.1	-45.3	175.4	-79.3	166.5	0	0	0	111.5	T33 I34 Y39 F40 L41	T33-L37 WeakPolarHBondContact O-CB 3.44Å; T33-L37 VanDerWaalsContact O-CG 3.28Å; T33-L37 WeakPolarHBondContact O-CG 3.39Å; T33-L37 PolarHBondContact O-N 2.69Å; I34-L37 PolarHBondContact O-N 3.37Å; L37-Y39 VanDerWaalsContact C-N 3.32Å; L37-Y39 PolarHBondContact O-N 3.37Å; L37-F40 PolarHBondContact O-N 2.96Å; L37-L41 WeakPolarHBondContact O-CB 3.42Å; L37-L41 WeakPolarHBondContact O-CG 3.18Å; L37-L41 PolarHBondContact O-N 2.96Å
38	V	80.3	Confident	83.2	Confident	77 Å²	77	85.9 Å²	85.9	47%	0.467	46%	0.46	S	S	.	.	H	α-helix	trans	-60.9	-44.3	174.2	171.6	0	0	0	0	110.1	I34 A35 L41 A42 F43	I34-V38 HydrophobicContact CG2-CG2 4.32Å; I34-V38 WeakPolarHBondContact O-CB 3.27Å; I34-V38 VanDerWaalsContact O-CG2 3.31Å; I34-V38 WeakPolarHBondContact O-CG2 3.48Å; I34-V38 PolarHBondContact O-N 3.12Å; A35-V38 PolarHBondContact O-N 3.3Å; V38-L41 PolarHBondContact O-N 2.92Å; V38-A42 WeakPolarHBondContact O-CA 3.34Å; V38-A42 WeakPolarHBondContact O-CB 3.15Å; V38-A42 PolarHBondContact O-N 3.02Å; V38-F43 HydrophobicContact CG1-CE2 4.49Å
39	Y	78.4	Confident	83.1	Confident	133 Å²	133	82.7 Å²	82.7	52%	0.522	44%	0.44	S	S	.	.	I	π-helix	trans	-58.6	-52.4	176.4	-178.9	-97.6	0	0	0	112.1	A35 L36 L37 L41 F43 D44	A35-Y39 VanDerWaalsContact O-CB 3.3Å; A35-Y39 WeakPolarHBondContact O-CB 3.29Å; A35-Y39 PolarHBondContact O-N 3.35Å; L36-Y39 WeakPolarHBondContact O-CB 3.46Å; L36-Y39 PolarHBondContact O-N 3.41Å; L37-Y39 VanDerWaalsContact C-N 3.32Å; L37-Y39 PolarHBondContact O-N 3.37Å; Y39-L41 PolarHBondContact O-N 3.03Å; Y39-F43 HydrophobicContact CD2-CB 4.01Å; Y39-F43 HydrophobicContact CD2-CD2 4.48Å; Y39-F43 HydrophobicContact CD2-CG 4.42Å; Y39-F43 HydrophobicContact CE2-CB 4.15Å; Y39-F43 CarbonylContact O-C 3.47Å; Y39-F43 VanDerWaalsContact O-CA 3.29Å; Y39-F43 WeakPolarHBondContact O-CA 3.38Å; Y39-F43 VanDerWaalsContact O-CB 3.26Å; Y39-F43 WeakPolarHBondContact O-CB 3.37Å; Y39-F43 PolarHBondContact O-N 3.41Å; Y39-D44 PolarHBondContact O-N 2.78Å
40	F	70.9	Confident	83	Confident	111 Å²	111	77.7 Å²	77.7	49%	0.487	41%	0.414	S	S	.	.	I	π-helix	trans	-69.7	-32.5	-178.8	-75.7	-64.9	0	0	0	113.5	L36 L37 D44 T123	L36-F40 HydrophobicContact CB-CD2 4.44Å; L36-F40 HydrophobicContact CB-CE2 4.47Å; L36-F40 HydrophobicContact CD2-CE2 4.28Å; L36-F40 WeakPolarHBondContact O-CD2 2.87Å; L36-F40 PolarHBondContact O-N 3.22Å; L37-F40 PolarHBondContact O-N 2.96Å; F40-D44 HydrophobicContact CD1-CB 4.19Å; F40-T123 WeakPolarHBondContact O-CG2 3.46Å
41	L	67.9	Low	82.9	Confident	113 Å²	113	75.6 Å²	75.6	59%	0.592	40%	0.399	S	S	*	.	I	π-helix	trans	-82.6	-36.8	-179.5	-68.4	171.9	0	0	0	113	L37 V38 Y39 Q45	L37-L41 WeakPolarHBondContact O-CB 3.42Å; L37-L41 WeakPolarHBondContact O-CG 3.18Å; L37-L41 PolarHBondContact O-N 2.96Å; V38-L41 PolarHBondContact O-N 2.92Å; Y39-L41 PolarHBondContact O-N 3.03Å; L41-Q45 PolarHBondContact O-NE2 3.34Å
42	A	64.3	Low	82.8	Confident	54 Å²	54	73 Å²	73	45%	0.446	38%	0.377	S	S	.	.	I	π-helix	trans	-98.6	-30.8	-175.5	0	0	0	0	0	113.5	V38	V38-A42 WeakPolarHBondContact O-CA 3.34Å; V38-A42 WeakPolarHBondContact O-CB 3.15Å; V38-A42 PolarHBondContact O-N 3.02Å
43	F	65.8	Low	82.5	Confident	147 Å²	147	71 Å²	71	65%	0.645	37%	0.366	S	S	*	.	I	π-helix	trans	-113	-23.6	-170.5	-63.9	-89.3	0	0	0	114.9	V38 Y39 Q45	V38-F43 HydrophobicContact CG1-CE2 4.49Å; Y39-F43 HydrophobicContact CD2-CB 4.01Å; Y39-F43 HydrophobicContact CD2-CD2 4.48Å; Y39-F43 HydrophobicContact CD2-CG 4.42Å; Y39-F43 HydrophobicContact CE2-CB 4.15Å; Y39-F43 CarbonylContact O-C 3.47Å; Y39-F43 VanDerWaalsContact O-CA 3.29Å; Y39-F43 WeakPolarHBondContact O-CA 3.38Å; Y39-F43 VanDerWaalsContact O-CB 3.26Å; Y39-F43 WeakPolarHBondContact O-CB 3.37Å; Y39-F43 PolarHBondContact O-N 3.41Å; F43-Q45 PolarHBondContact O-N 3.41Å; F43-Q45 VanDerWaalsContact O-N 3.13Å
44	D	70.3	Confident	82.2	Confident	59 Å²	59	68.2 Å²	68.2	32%	0.316	35%	0.349	S	S	.	.			trans	-87.1	44.3	173.2	-168.5	35.2	0	0	0	112.8	Y39 F40	Y39-D44 PolarHBondContact O-N 2.78Å; F40-D44 HydrophobicContact CD1-CB 4.19Å
45	Q	73.1	Confident	82	Confident	74 Å²	74	66.8 Å²	66.8	35%	0.346	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	123.2	175.2	-61.8	-168.5	-11.7	0	0	110.5	L41 F43 R121 T123	L41-Q45 PolarHBondContact O-NE2 3.34Å; F43-Q45 PolarHBondContact O-N 3.41Å; F43-Q45 VanDerWaalsContact O-N 3.13Å; Q45-R121 HydrophobicContact CB-CG 3.7Å; Q45-T123 HydrophobicContact CG-CG2 4.03Å
46	K	84.1	Confident	81.8	Confident	102 Å²	102	64 Å²	64	44%	0.443	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	153.1	176	-67.9	-170.6	179.5	-171.3	0	111.1	Y48 R121 F122	K46-Y48 HydrophobicContact CB-CE2 3.72Å; K46-Y48 WeakPolarHBondContact O-CD2 3.29Å; K46-Y48 WeakPolarHBondContact O-CE2 3.47Å; K46-R121 WeakPolarHBondContact O-CA 3.45Å; K46-F122 PolarHBondContact N-O 2.87Å; K46-F122 PolarHBondContact O-N 2.91Å
47	S	88.8	Confident	81.6	Confident	49 Å²	49	64.1 Å²	64.1	34%	0.343	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	140.9	173.5	-65.5	0	0	0	0	110.2	K119 F120	S47-K119 VanDerWaalsContact CB-CE 3.45Å; S47-K119 WeakPolarHBondContact OG-CE 3.27Å; S47-F120 CarbonylContact C-O 3.55Å; S47-F120 WeakPolarHBondContact CA-O 3.16Å
48	Y	91	Very high	81.6	Confident	61 Å²	61	62.6 Å²	62.6	24%	0.239	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	137.5	177.2	-63.1	-89.8	0	0	0	109.1	K46 F120 F122	K46-Y48 HydrophobicContact CB-CE2 3.72Å; K46-Y48 WeakPolarHBondContact O-CD2 3.29Å; K46-Y48 WeakPolarHBondContact O-CE2 3.47Å; Y48-F120 PolarHBondContact N-O 2.77Å; Y48-F120 PolarHBondContact O-N 2.91Å; Y48-F122 HydrophobicContact CD1-CZ 4.18Å; Y48-F122 AromaticContact CD2-CD1 3.78Å; Y48-F122 HydrophobicContact CD2-CD1 3.78Å; Y48-F122 HydrophobicContact CD2-CD2 4.17Å; Y48-F122 AromaticContact CD2-CE1 3.26Å; Y48-F122 HydrophobicContact CD2-CE1 3.26Å; Y48-F122 AromaticContact CD2-CE2 3.73Å; Y48-F122 HydrophobicContact CD2-CE2 3.73Å; Y48-F122 HydrophobicContact CD2-CG 4.2Å; Y48-F122 AromaticContact CD2-CZ 3.23Å; Y48-F122 HydrophobicContact CD2-CZ 3.23Å; Y48-F122 HydrophobicContact CE2-CD1 4.36Å; Y48-F122 AromaticContact CE2-CD2 3.97Å; Y48-F122 HydrophobicContact CE2-CD2 3.97Å; Y48-F122 HydrophobicContact CE2-CE1 4.04Å; Y48-F122 AromaticContact CE2-CE2 3.63Å; Y48-F122 HydrophobicContact CE2-CE2 3.63Å; Y48-F122 HydrophobicContact CE2-CG 4.33Å; Y48-F122 AromaticContact CE2-CZ 3.66Å; Y48-F122 HydrophobicContact CE2-CZ 3.66Å; Y48-F122 AromaticContact CG-CE1 3.67Å; Y48-F122 HydrophobicContact CG-CE1 3.67Å; Y48-F122 HydrophobicContact CG-CE2 4.34Å; Y48-F122 AromaticContact CG-CZ 3.53Å; Y48-F122 HydrophobicContact CG-CZ 3.53Å
49	F	93.8	Very high	81.8	Confident	13 Å²	13	60 Å²	60	6%	0.057	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	142.1	179.4	-66.7	-91.1	0	0	0	110.8	V117 M118 K119 L160 D162 A165 L182	F49-V117 HydrophobicContact CD1-CG1 4.1Å; F49-M118 CarbonylContact C-O 3.58Å; F49-M118 WeakPolarHBondContact CA-O 3.32Å; F49-K119 HydrophobicContact CD1-CB 4.06Å; F49-K119 HydrophobicContact CD1-CG 4.36Å; F49-K119 HydrophobicContact CE1-CB 3.91Å; F49-K119 HydrophobicContact CE1-CD 3.9Å; F49-K119 HydrophobicContact CE1-CG 3.98Å; F49-K119 HydrophobicContact CZ-CD 3.86Å; F49-K119 HydrophobicContact CZ-CG 4.19Å; F49-L160 HydrophobicContact CB-CB 3.94Å; F49-L160 PolarHBondContact O-N 3.09Å; F49-D162 WeakPolarHBondContact CD2-OD1 3.47Å; F49-D162 VanDerWaalsContact CE2-OD1 3.29Å; F49-D162 WeakPolarHBondContact CE2-OD1 3.24Å; F49-A165 HydrophobicContact CB-CB 3.71Å; F49-A165 HydrophobicContact CD1-CB 3.64Å; F49-A165 HydrophobicContact CD2-CB 3.98Å; F49-A165 HydrophobicContact CE1-CB 4.19Å; F49-A165 HydrophobicContact CG-CB 3.5Å; F49-L182 HydrophobicContact CD1-CD1 4.13Å; F49-L182 HydrophobicContact CE1-CB 4.32Å; F49-L182 HydrophobicContact CE1-CD1 3.91Å; F49-L182 HydrophobicContact CE1-CG 4.23Å
50	Y	93.4	Very high	82.2	Confident	6 Å²	6	61.3 Å²	61.3	2%	0.024	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	142.8	176.4	-63.6	-87.9	0	0	0	109.3	V117 M118 F120 F122 K132 I135 I157 T158	Y50-V117 WeakPolarHBondContact O-CA 3.4Å; Y50-M118 PolarHBondContact N-O 2.91Å; Y50-M118 PolarHBondContact O-N 3.44Å; Y50-F120 AromaticContact CD2-CD2 3.63Å; Y50-F120 HydrophobicContact CD2-CD2 3.63Å; Y50-F120 HydrophobicContact CD2-CE2 4.09Å; Y50-F120 HydrophobicContact CE2-CB 4.47Å; Y50-F120 HydrophobicContact CE2-CD2 4.05Å; Y50-F122 HydrophobicContact CE2-CE1 4.3Å; Y50-K132 HydrophobicContact CE1-CB 4.19Å; Y50-I135 HydrophobicContact CD1-CD1 4.31Å; Y50-I135 HydrophobicContact CD2-CD1 3.65Å; Y50-I135 HydrophobicContact CE1-CD1 4.27Å; Y50-I135 HydrophobicContact CE2-CD1 3.61Å; Y50-I135 HydrophobicContact CG-CD1 3.99Å; Y50-I157 HydrophobicContact CD1-CG2 3.65Å; Y50-I157 HydrophobicContact CG-CG2 4.07Å; Y50-T158 CarbonylContact C-O 3.52Å; Y50-T158 WeakPolarHBondContact CA-O 3.3Å
51	R	93.4	Very high	83.1	Confident	60 Å²	60	58.2 Å²	58.2	23%	0.226	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	141.6	171.4	177	176.8	167.5	-144.7	2.8	110.1	D115 V116 I157 T158 L160 W168	R51-D115 IonicContact CZ-OD1 2.92Å; R51-D115 IonicContact NE-OD1 3.98Å; R51-D115 PolarHBondContact NE-OD1 3.37Å; R51-D115 VanDerWaalsContact NE-OD1 3.16Å; R51-D115 IonicContact NH2-OD1 3.86Å; R51-D115 PolarHBondContact NH2-OD1 2.93Å; R51-D115 IonicContact NH2-OD2 3.54Å; R51-V116 WeakPolarHBondContact CA-O 3.35Å; R51-I157 WeakPolarHBondContact O-CA 3.3Å; R51-T158 PolarHBondContact N-O 3.33Å; R51-T158 PolarHBondContact O-N 3.01Å; R51-L160 HydrophobicContact CB-CD1 3.85Å; R51-L160 HydrophobicContact CB-CD2 4.33Å; R51-L160 HydrophobicContact CB-CG 4.1Å; R51-W168 VanDerWaalsContact CZ-CH2 3.48Å
52	S	90.8	Very high	84.2	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.007	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	153.6	167.8	-163.8	0	0	0	0	109.8	V116	S52-V116 PolarHBondContact N-O 3.24Å; S52-V116 PolarHBondContact O-N 3.02Å
53	S	90.1	Very high	85.3	Confident	34 Å²	34	56.7 Å²	56.7	24%	0.238	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	126.9	177.1	-57.7	0	0	0	0	108.3	A114 D115	S53-A114 WeakPolarHBondContact CA-O 3.27Å; S53-D115 PolarHBondContact OG-OD1 3.16Å
54	F	85.6	Confident	86.4	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.009	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	128.9	-177.2	-58	-81.2	0	0	0	109.5	I84 R113 A114 V116 L139 M142 I151 T155	F54-I84 HydrophobicContact CD2-CD1 4.4Å; F54-I84 HydrophobicContact CE2-CD1 3.66Å; F54-I84 HydrophobicContact CZ-CD1 4Å; F54-R113 CarbonylContact O-C 3.58Å; F54-R113 WeakPolarHBondContact O-CA 3.5Å; F54-A114 PolarHBondContact N-O 3.28Å; F54-A114 PolarHBondContact O-N 3.42Å; F54-V116 HydrophobicContact CD2-CB 4.38Å; F54-V116 HydrophobicContact CD2-CG2 3.72Å; F54-V116 HydrophobicContact CE2-CB 3.93Å; F54-V116 HydrophobicContact CE2-CG2 3.69Å; F54-L139 HydrophobicContact CE1-CD1 4.44Å; F54-L139 HydrophobicContact CZ-CD1 4.01Å; F54-L139 HydrophobicContact CZ-CD2 4.28Å; F54-M142 HydrophobicContact CD1-CE 4.4Å; F54-M142 HydrophobicContact CE1-CE 3.96Å; F54-M142 HydrophobicContact CZ-CE 4.44Å; F54-I151 HydrophobicContact CB-CG2 3.85Å; F54-I151 HydrophobicContact CD1-CG2 3.9Å; F54-I151 HydrophobicContact CG-CG2 4.32Å; F54-T155 HydrophobicContact CE1-CG2 4.31Å
55	Q	86.6	Confident	87.4	Confident	59 Å²	59	51.3 Å²	51.3	28%	0.276	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	121.9	171.1	-171.5	-177.9	14	0	0	108.9	L57 I151 N152	Q55-L57 HydrophobicContact CG-CD2 4.2Å; Q55-I151 CarbonylContact O-C 3.59Å; Q55-I151 VanDerWaalsContact O-CA 3.28Å; Q55-I151 WeakPolarHBondContact O-CA 3.12Å; Q55-N152 HydrophobicContact CB-CB 4.36Å; Q55-N152 PolarHBondContact N-O 2.81Å; Q55-N152 PolarHBondContact O-N 2.88Å
56	L	85.3	Confident	88.1	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	109.9	176.2	-48.5	179.6	0	0	0	108	V59 L76 I80 V112 I151	L56-V59 HydrophobicContact CB-CB 4.12Å; L56-V59 HydrophobicContact CB-CG2 4.06Å; L56-V59 HydrophobicContact CD1-CG2 4.27Å; L56-L76 HydrophobicContact CD1-CD1 3.88Å; L56-L76 HydrophobicContact CD1-CD2 4.13Å; L56-L76 HydrophobicContact CD1-CG 4.25Å; L56-I80 HydrophobicContact CD1-CD1 3.82Å; L56-I80 HydrophobicContact CD1-CG1 4.42Å; L56-V112 HydrophobicContact CB-CB 4.28Å; L56-V112 HydrophobicContact CD1-CB 4.15Å; L56-V112 HydrophobicContact CD1-CG1 4.23Å; L56-V112 HydrophobicContact CG-CB 4.44Å; L56-V112 PolarHBondContact N-O 3.42Å; L56-V112 PolarHBondContact O-N 2.93Å; L56-I151 HydrophobicContact CD2-CD1 4.26Å; L56-I151 HydrophobicContact CD2-CG1 3.76Å
57	L	78.4	Confident	88.2	Confident	89 Å²	89	49.6 Å²	49.6	47%	0.466	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-30.4	-175.8	-64	-177.6	0	0	0	112.7	Q55 E150 N152	Q55-L57 HydrophobicContact CG-CD2 4.2Å; L57-E150 HydrophobicContact CB-CB 4.18Å; L57-E150 PolarHBondContact N-O 2.97Å; L57-N152 HydrophobicContact CD1-CB 3.82Å; L57-N152 HydrophobicContact CD2-CB 3.91Å; L57-N152 HydrophobicContact CG-CB 3.83Å
58	N	80.8	Confident	88.1	Confident	70 Å²	70	48.4 Å²	48.4	37%	0.374	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	18.9	-175.7	71.1	-22	0	0	0	113.7	N148 E150	N58-N148 PolarHBondContact ND2-O 3.21Å; N58-E150 HydrophobicContact CB-CB 4.1Å; N58-E150 HydrophobicContact CB-CG 4.36Å; N58-E150 VanDerWaalsContact CG-N 3.34Å; N58-E150 PolarHBondContact ND2-N 2.94Å; N58-E150 PolarHBondContact OD1-N 2.98Å; N58-E150 VanDerWaalsContact OD1-N 3.13Å
59	V	85	Confident	87.8	Confident	24 Å²	24	45.7 Å²	45.7	15%	0.145	24%	0.24	C	C	.	.	S	Bend	trans	-126.7	118.5	175.5	-174.8	0	0	0	0	108	L56 L76 G111 V112 L149	L56-V59 HydrophobicContact CB-CB 4.12Å; L56-V59 HydrophobicContact CB-CG2 4.06Å; L56-V59 HydrophobicContact CD1-CG2 4.27Å; V59-L76 HydrophobicContact CG1-CD2 3.88Å; V59-L76 HydrophobicContact CG2-CD1 4.31Å; V59-G111 WeakPolarHBondContact O-CA 3.23Å; V59-V112 HydrophobicContact CB-CG2 4.05Å; V59-V112 HydrophobicContact CG1-CG2 3.65Å; V59-L149 HydrophobicContact CG2-CD2 3.89Å
60	E	88.1	Confident	87.6	Confident	159 Å²	159	45.8 Å²	45.8	74%	0.743	24%	0.242	S	C	*	.			trans	-77.6	136.3	173.6	-68.8	-170.3	167.3	0	0	110.8	S110	E60-S110 WeakPolarHBondContact CA-O 3.47Å
61	Y	89.2	Confident	87.4	Confident	46 Å²	46	52 Å²	52	18%	0.18	27%	0.271	C	S	.	.			trans	-71.7	135.5	174.5	-167.2	-90.3	0	0	0	111.2	L65 N66 Q107 S110 V112	Y61-L65 HydrophobicContact CD2-CB 4.36Å; Y61-L65 HydrophobicContact CD2-CD1 4.16Å; Y61-L65 HydrophobicContact CE2-CB 3.92Å; Y61-N66 PolarHBondContact OH-OD1 2.94Å; Y61-Q107 HydrophobicContact CD1-CB 3.68Å; Y61-Q107 HydrophobicContact CD1-CG 3.86Å; Y61-Q107 VanDerWaalsContact CD2-CA 3.42Å; Y61-Q107 HydrophobicContact CD2-CB 3.81Å; Y61-Q107 HydrophobicContact CD2-CG 4.37Å; Y61-Q107 HydrophobicContact CE1-CB 3.86Å; Y61-Q107 HydrophobicContact CE1-CG 4.48Å; Y61-Q107 HydrophobicContact CE2-CB 3.99Å; Y61-Q107 HydrophobicContact CG-CB 3.65Å; Y61-Q107 HydrophobicContact CG-CG 3.79Å; Y61-S110 PolarHBondContact N-O 2.88Å; Y61-V112 HydrophobicContact CD2-CG2 4.05Å
62	N	90.4	Very high	87.3	Confident	51 Å²	51	52.7 Å²	52.7	27%	0.273	28%	0.277	S	S	.	.			trans	-142.4	172.1	172.9	69.8	52.5	0	0	0	111.4	Q64 L65 E72	N62-Q64 PolarHBondContact O-N 2.89Å; N62-Q64 WeakPolarHBondContact OD1-CA 3.47Å; N62-Q64 WeakPolarHBondContact OD1-CB 3.26Å; N62-Q64 PolarHBondContact OD1-N 3.26Å; N62-L65 PolarHBondContact O-N 3.41Å; N62-E72 VanDerWaalsContact ND2-CD 3.25Å; N62-E72 PolarHBondContact ND2-OE1 3.11Å; N62-E72 PolarHBondContact ND2-OE2 2.95Å; N62-E72 VanDerWaalsContact ND2-OE2 3.13Å; N62-E72 PolarHBondContact OD1-OE2 3.06Å
63	S	88.1	Confident	87.4	Confident	84 Å²	84	53.1 Å²	53.1	59%	0.587	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-65.3	-19.4	-175.9	61.7	0	0	0	0	114.6	L65 N66	S63-L65 PolarHBondContact O-N 3.42Å; S63-N66 WeakPolarHBondContact O-CB 3.36Å; S63-N66 PolarHBondContact O-N 2.88Å; S63-N66 PolarHBondContact O-ND2 3.17Å
64	Q	88.4	Confident	87.4	Confident	94 Å²	94	53.3 Å²	53.3	44%	0.439	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-68.7	-25.9	175.1	-58.1	-64.5	-43.1	0	0	111	N62 N66 T70 E72	N62-Q64 PolarHBondContact O-N 2.89Å; N62-Q64 WeakPolarHBondContact OD1-CA 3.47Å; N62-Q64 WeakPolarHBondContact OD1-CB 3.26Å; N62-Q64 PolarHBondContact OD1-N 3.26Å; Q64-N66 PolarHBondContact O-N 2.89Å; Q64-T70 HydrophobicContact CB-CG2 4.33Å; Q64-T70 WeakPolarHBondContact O-CB 3.29Å; Q64-T70 WeakPolarHBondContact O-CG2 3.33Å; Q64-T70 PolarHBondContact O-OG1 3.18Å; Q64-E72 HydrophobicContact CB-CB 3.94Å; Q64-E72 WeakPolarHBondContact CB-OE2 3.19Å
65	L	91.1	Very high	87.7	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-78.1	-0.1	176	-59.8	-179.3	0	0	0	113.7	Y61 N62 S63 S67 E72 Y73 L76 L105 V112	Y61-L65 HydrophobicContact CD2-CB 4.36Å; Y61-L65 HydrophobicContact CD2-CD1 4.16Å; Y61-L65 HydrophobicContact CE2-CB 3.92Å; N62-L65 PolarHBondContact O-N 3.41Å; S63-L65 PolarHBondContact O-N 3.42Å; L65-S67 VanDerWaalsContact C-N 3.29Å; L65-S67 PolarHBondContact O-N 2.74Å; L65-E72 HydrophobicContact CD2-CB 4.43Å; L65-E72 HydrophobicContact CD2-CG 4.01Å; L65-Y73 VanDerWaalsContact O-CD2 3.27Å; L65-Y73 WeakPolarHBondContact O-CD2 3.24Å; L65-L76 HydrophobicContact CD1-CD2 4.01Å; L65-L76 HydrophobicContact CD2-CD2 3.9Å; L65-L105 HydrophobicContact CD2-CD1 4.06Å; L65-V112 HydrophobicContact CD1-CG1 4.2Å; L65-V112 HydrophobicContact CD1-CG2 3.47Å; L65-V112 VanDerWaalsContact CD1-CG2 3.47Å
66	N	86.8	Confident	88	Confident	104 Å²	104	54 Å²	54	56%	0.556	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-75.4	-16.3	176	-68.7	-19.9	0	0	0	113.5	Y61 S63 Q64	Y61-N66 PolarHBondContact OH-OD1 2.94Å; S63-N66 WeakPolarHBondContact O-CB 3.36Å; S63-N66 PolarHBondContact O-N 2.88Å; S63-N66 PolarHBondContact O-ND2 3.17Å; Q64-N66 PolarHBondContact O-N 2.89Å
67	S	86.6	Confident	88.4	Confident	36 Å²	36	54 Å²	54	25%	0.252	28%	0.282	S	S	.	.			trans	-136.6	132.8	-172.9	178.8	0	0	0	0	112.4	L65 A69 T70 Y73	L65-S67 VanDerWaalsContact C-N 3.29Å; L65-S67 PolarHBondContact O-N 2.74Å; S67-A69 PolarHBondContact O-N 3.34Å; S67-A69 PolarHBondContact OG-N 3.17Å; S67-T70 PolarHBondContact O-N 3.02Å; S67-T70 PolarHBondContact O-OG1 3.01Å; S67-Y73 WeakPolarHBondContact O-CB 3.41Å
68	P	86.6	Confident	89	Confident	23 Å²	23	50.9 Å²	50.9	15%	0.149	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-7.4	175.9	29.1	-35.9	0	0	0	113.5	Y73 R74 R378 L380	P68-Y73 HydrophobicContact CB-CD1 4.13Å; P68-Y73 HydrophobicContact CB-CE1 3.95Å; P68-R74 PolarHBondContact O-NE 3.13Å; P68-R378 PolarHBondContact O-NH2 2.96Å; P68-L380 HydrophobicContact CB-CD1 4.5Å
69	A	85.5	Confident	89.4	Confident	5 Å²	5	53.1 Å²	53.1	4%	0.041	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-21.4	177.9	0	0	0	0	0	113.8	S67 R74 L293 A295 F382	S67-A69 PolarHBondContact O-N 3.34Å; S67-A69 PolarHBondContact OG-N 3.17Å; A69-R74 PolarHBondContact O-NE 3.42Å; A69-L293 WeakPolarHBondContact CB-O 3.31Å; A69-A295 HydrophobicContact CB-CB 4.48Å; A69-F382 HydrophobicContact CB-CE1 3.9Å
70	T	89.6	Confident	89.7	Confident	15 Å²	15	52.2 Å²	52.2	9%	0.092	27%	0.269	C	S	.	.	S	Bend	trans	-75.2	152.2	-175.6	72	0	0	0	0	111.3	Q64 S67 E72 Y73 R74	Q64-T70 HydrophobicContact CB-CG2 4.33Å; Q64-T70 WeakPolarHBondContact O-CB 3.29Å; Q64-T70 WeakPolarHBondContact O-CG2 3.33Å; Q64-T70 PolarHBondContact O-OG1 3.18Å; S67-T70 PolarHBondContact O-N 3.02Å; S67-T70 PolarHBondContact O-OG1 3.01Å; T70-E72 VanDerWaalsContact C-N 3.26Å; T70-E72 PolarHBondContact O-N 3.38Å; T70-Y73 PolarHBondContact O-N 2.83Å; T70-Y73 VanDerWaalsContact OG1-CB 3.27Å; T70-Y73 WeakPolarHBondContact OG1-CB 3.36Å; T70-Y73 PolarHBondContact OG1-N 3.16Å; T70-Y73 VanDerWaalsContact OG1-N 3.12Å; T70-R74 WeakPolarHBondContact O-CB 3.47Å; T70-R74 WeakPolarHBondContact O-CD 3.34Å; T70-R74 VanDerWaalsContact O-CG 3.26Å; T70-R74 WeakPolarHBondContact O-CG 3.44Å; T70-R74 PolarHBondContact O-N 2.96Å; T70-R74 VanDerWaalsContact O-N 3.11Å
71	Q	89.4	Confident	89.9	Confident	135 Å²	135	45.4 Å²	45.4	63%	0.631	24%	0.237	S	C	*	.	H	α-helix	trans	-63	-36.5	177.7	-173.7	58.1	29.6	0	0	111.8	T75	Q71-T75 PolarHBondContact NE2-OG1 3.5Å; Q71-T75 VanDerWaalsContact O-CB 3.31Å; Q71-T75 WeakPolarHBondContact O-CB 3.31Å; Q71-T75 PolarHBondContact O-N 2.79Å; Q71-T75 PolarHBondContact O-OG1 2.78Å
72	E	91.4	Very high	90	Very high	75 Å²	75	46.8 Å²	46.8	35%	0.35	25%	0.254	S	S	.	.	H	α-helix	trans	-69	-45.8	-179.1	-165.6	170.7	176.8	0	0	111.8	N62 Q64 L65 T70 R74 T75 L76	N62-E72 VanDerWaalsContact ND2-CD 3.25Å; N62-E72 PolarHBondContact ND2-OE1 3.11Å; N62-E72 PolarHBondContact ND2-OE2 2.95Å; N62-E72 VanDerWaalsContact ND2-OE2 3.13Å; N62-E72 PolarHBondContact OD1-OE2 3.06Å; Q64-E72 HydrophobicContact CB-CB 3.94Å; Q64-E72 WeakPolarHBondContact CB-OE2 3.19Å; L65-E72 HydrophobicContact CD2-CB 4.43Å; L65-E72 HydrophobicContact CD2-CG 4.01Å; T70-E72 VanDerWaalsContact C-N 3.26Å; T70-E72 PolarHBondContact O-N 3.38Å; E72-R74 VanDerWaalsContact C-N 3.35Å; E72-R74 PolarHBondContact O-N 3.5Å; E72-T75 PolarHBondContact O-N 2.94Å; E72-L76 WeakPolarHBondContact O-CB 3.35Å; E72-L76 PolarHBondContact O-N 3.32Å
73	Y	92.6	Very high	89.9	Confident	10 Å²	10	44.9 Å²	44.9	4%	0.039	24%	0.244	C	C	.	.	H	α-helix	trans	-57.5	-50.5	174.1	-170.5	-68.2	0	0	0	110.4	L65 S67 P68 T70 T75 L76 S77 K104 L105 R378	L65-Y73 VanDerWaalsContact O-CD2 3.27Å; L65-Y73 WeakPolarHBondContact O-CD2 3.24Å; S67-Y73 WeakPolarHBondContact O-CB 3.41Å; P68-Y73 HydrophobicContact CB-CD1 4.13Å; P68-Y73 HydrophobicContact CB-CE1 3.95Å; T70-Y73 PolarHBondContact O-N 2.83Å; T70-Y73 VanDerWaalsContact OG1-CB 3.27Å; T70-Y73 WeakPolarHBondContact OG1-CB 3.36Å; T70-Y73 PolarHBondContact OG1-N 3.16Å; T70-Y73 VanDerWaalsContact OG1-N 3.12Å; Y73-T75 VanDerWaalsContact C-N 3.33Å; Y73-T75 PolarHBondContact O-N 2.82Å; Y73-L76 PolarHBondContact O-N 2.93Å; Y73-S77 WeakPolarHBondContact O-CB 3.38Å; Y73-S77 PolarHBondContact O-N 3.12Å; Y73-S77 PolarHBondContact O-OG 3.32Å; Y73-K104 WeakPolarHBondContact OH-CA 3.35Å; Y73-L105 HydrophobicContact CD1-CD1 4.12Å; Y73-L105 HydrophobicContact CD2-CB 4.11Å; Y73-L105 HydrophobicContact CD2-CD1 3.72Å; Y73-L105 HydrophobicContact CD2-CG 4.15Å; Y73-L105 HydrophobicContact CE1-CD1 4.21Å; Y73-L105 HydrophobicContact CE1-CG 4.35Å; Y73-L105 HydrophobicContact CE2-CB 3.61Å; Y73-L105 HydrophobicContact CE2-CD1 3.8Å; Y73-L105 HydrophobicContact CE2-CG 3.7Å; Y73-L105 HydrophobicContact CG-CD1 3.89Å; Y73-L105 PolarHBondContact OH-N 3.04Å; Y73-R378 VanDerWaalsContact CE1-NH1 3.33Å
74	R	91	Very high	90	Very high	38 Å²	38	41 Å²	41	14%	0.143	22%	0.216	C	C	.	.	H	α-helix	trans	-56	-46.6	179.7	-76	169.3	178.8	-164.9	1.2	112.6	P68 A69 T70 E72 S77 G78 R378 F382	P68-R74 PolarHBondContact O-NE 3.13Å; A69-R74 PolarHBondContact O-NE 3.42Å; T70-R74 WeakPolarHBondContact O-CB 3.47Å; T70-R74 WeakPolarHBondContact O-CD 3.34Å; T70-R74 VanDerWaalsContact O-CG 3.26Å; T70-R74 WeakPolarHBondContact O-CG 3.44Å; T70-R74 PolarHBondContact O-N 2.96Å; T70-R74 VanDerWaalsContact O-N 3.11Å; E72-R74 VanDerWaalsContact C-N 3.35Å; E72-R74 PolarHBondContact O-N 3.5Å; R74-S77 PolarHBondContact O-OG 3.23Å; R74-S77 VanDerWaalsContact O-OG 3.13Å; R74-G78 PolarHBondContact O-N 3.36Å; R74-R378 VanDerWaalsContact CG-NH2 3.33Å; R74-F382 VanDerWaalsContact NH2-CD1 3.29Å; R74-F382 VanDerWaalsContact NH2-CE2 3.33Å
75	T	91.1	Very high	90.1	Very high	65 Å²	65	38.9 Å²	38.9	40%	0.399	21%	0.21	S	C	.	.	H	α-helix	trans	-65.7	-45.9	-178.7	-57.8	0	0	0	0	110.2	Q71 E72 Y73 R79	Q71-T75 PolarHBondContact NE2-OG1 3.5Å; Q71-T75 VanDerWaalsContact O-CB 3.31Å; Q71-T75 WeakPolarHBondContact O-CB 3.31Å; Q71-T75 PolarHBondContact O-N 2.79Å; Q71-T75 PolarHBondContact O-OG1 2.78Å; E72-T75 PolarHBondContact O-N 2.94Å; Y73-T75 VanDerWaalsContact C-N 3.33Å; Y73-T75 PolarHBondContact O-N 2.82Å; T75-R79 WeakPolarHBondContact O-CB 3.05Å; T75-R79 VanDerWaalsContact O-CG 3.27Å; T75-R79 WeakPolarHBondContact O-CG 3.33Å; T75-R79 PolarHBondContact O-N 2.78Å
76	L	92.1	Very high	90.1	Very high	10 Å²	10	45.1 Å²	45.1	5%	0.052	23%	0.233	C	C	.	.	H	α-helix	trans	-67.5	-48.1	-179.3	-175.2	54.7	0	0	0	111.9	L56 V59 L65 E72 Y73 G78 R79 I80 L105 V112 L149	L56-L76 HydrophobicContact CD1-CD1 3.88Å; L56-L76 HydrophobicContact CD1-CD2 4.13Å; L56-L76 HydrophobicContact CD1-CG 4.25Å; V59-L76 HydrophobicContact CG1-CD2 3.88Å; V59-L76 HydrophobicContact CG2-CD1 4.31Å; L65-L76 HydrophobicContact CD1-CD2 4.01Å; L65-L76 HydrophobicContact CD2-CD2 3.9Å; E72-L76 WeakPolarHBondContact O-CB 3.35Å; E72-L76 PolarHBondContact O-N 3.32Å; Y73-L76 PolarHBondContact O-N 2.93Å; L76-G78 VanDerWaalsContact C-N 3.33Å; L76-G78 PolarHBondContact O-N 2.85Å; L76-R79 PolarHBondContact O-N 3.39Å; L76-I80 HydrophobicContact CD1-CD1 4.2Å; L76-I80 HydrophobicContact CD1-CG1 4.45Å; L76-I80 HydrophobicContact CG-CD1 4.03Å; L76-I80 WeakPolarHBondContact O-CD1 3.49Å; L76-I80 VanDerWaalsContact O-CG1 3.29Å; L76-I80 WeakPolarHBondContact O-CG1 3.41Å; L76-I80 PolarHBondContact O-N 2.65Å; L76-L105 HydrophobicContact CB-CD1 4.24Å; L76-L105 HydrophobicContact CD2-CD1 4Å; L76-L105 HydrophobicContact CG-CD1 4.16Å; L76-V112 HydrophobicContact CD2-CG1 4.29Å; L76-L149 HydrophobicContact CD1-CD2 4.45Å
77	S	93.3	Very high	90.2	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-59.5	-44.5	176.9	62	0	0	0	0	111.4	Y73 R74 R79 I80 E81 R378	Y73-S77 WeakPolarHBondContact O-CB 3.38Å; Y73-S77 PolarHBondContact O-N 3.12Å; Y73-S77 PolarHBondContact O-OG 3.32Å; R74-S77 PolarHBondContact O-OG 3.23Å; R74-S77 VanDerWaalsContact O-OG 3.13Å; S77-R79 VanDerWaalsContact C-N 3.35Å; S77-R79 PolarHBondContact O-N 3.5Å; S77-I80 PolarHBondContact O-N 3.35Å; S77-E81 WeakPolarHBondContact O-CB 3.48Å; S77-E81 WeakPolarHBondContact O-CG 3.4Å; S77-E81 PolarHBondContact O-N 2.91Å; S77-R378 WeakPolarHBondContact OG-CD 3.44Å; S77-R378 PolarHBondContact OG-NH1 3.44Å
78	G	91.7	Very high	90.5	Very high	25 Å²	25	39.6 Å²	39.6	26%	0.258	20%	0.202	S	C	.	.	H	α-helix	trans	-63.1	-38.4	177.9	0	0	0	0	0	113	R74 L76 S82	R74-G78 PolarHBondContact O-N 3.36Å; L76-G78 VanDerWaalsContact C-N 3.33Å; L76-G78 PolarHBondContact O-N 2.85Å; G78-S82 WeakPolarHBondContact O-CB 3.17Å; G78-S82 PolarHBondContact O-N 2.88Å
79	R	90.4	Very high	90.7	Very high	116 Å²	116	42.3 Å²	42.3	44%	0.438	21%	0.212	S	C	.	.	H	α-helix	trans	-63.9	-43.5	174.3	-75.8	175.4	68.9	-168.9	-1.7	111.9	T75 L76 S77 L83 L149	T75-R79 WeakPolarHBondContact O-CB 3.05Å; T75-R79 VanDerWaalsContact O-CG 3.27Å; T75-R79 WeakPolarHBondContact O-CG 3.33Å; T75-R79 PolarHBondContact O-N 2.78Å; L76-R79 PolarHBondContact O-N 3.39Å; S77-R79 VanDerWaalsContact C-N 3.35Å; S77-R79 PolarHBondContact O-N 3.5Å; R79-L83 WeakPolarHBondContact O-CB 3.35Å; R79-L83 PolarHBondContact O-N 2.91Å; R79-L149 HydrophobicContact CB-CD1 4.34Å
80	I	90.3	Very high	91	Very high	5 Å²	5	49.3 Å²	49.3	3%	0.026	24%	0.243	C	C	.	.	H	α-helix	trans	-64.2	-49.4	178.5	-64.3	161.3	0	0	0	110.4	L56 L76 S77 S82 L83 I84 V102 L105 A114 V116	L56-I80 HydrophobicContact CD1-CD1 3.82Å; L56-I80 HydrophobicContact CD1-CG1 4.42Å; L76-I80 HydrophobicContact CD1-CD1 4.2Å; L76-I80 HydrophobicContact CD1-CG1 4.45Å; L76-I80 HydrophobicContact CG-CD1 4.03Å; L76-I80 WeakPolarHBondContact O-CD1 3.49Å; L76-I80 VanDerWaalsContact O-CG1 3.29Å; L76-I80 WeakPolarHBondContact O-CG1 3.41Å; L76-I80 PolarHBondContact O-N 2.65Å; S77-I80 PolarHBondContact O-N 3.35Å; I80-S82 VanDerWaalsContact C-N 3.33Å; I80-S82 PolarHBondContact O-N 2.94Å; I80-L83 PolarHBondContact O-N 3.13Å; I80-I84 HydrophobicContact CG2-CD1 3.83Å; I80-I84 WeakPolarHBondContact O-CG1 2.95Å; I80-I84 PolarHBondContact O-N 3.27Å; I80-V102 HydrophobicContact CB-CG2 3.9Å; I80-V102 HydrophobicContact CD1-CG2 4.37Å; I80-V102 HydrophobicContact CG2-CG2 3.7Å; I80-L105 HydrophobicContact CD1-CD2 4.02Å; I80-A114 HydrophobicContact CD1-CB 3.76Å; I80-V116 HydrophobicContact CG2-CG2 4.1Å
81	E	92	Very high	91.1	Very high	16 Å²	16	49.6 Å²	49.6	8%	0.075	25%	0.246	C	C	.	.	H	α-helix	trans	-60.9	-42	178.7	-71.7	170.6	-168.3	0	0	112.1	S77 T85 H101 V102	S77-E81 WeakPolarHBondContact O-CB 3.48Å; S77-E81 WeakPolarHBondContact O-CG 3.4Å; S77-E81 PolarHBondContact O-N 2.91Å; E81-T85 WeakPolarHBondContact O-CB 3.46Å; E81-T85 PolarHBondContact O-N 3.28Å; E81-T85 PolarHBondContact O-OG1 2.71Å; E81-H101 IonicContact OE1-CE1 3.37Å; E81-H101 IonicContact OE1-CG 3.16Å; E81-H101 IonicContact OE1-ND1 2.74Å; E81-H101 PolarHBondContact OE1-ND1 3.48Å; E81-V102 HydrophobicContact CG-CB 4.44Å; E81-V102 HydrophobicContact CG-CG2 3.8Å; E81-V102 PolarHBondContact OE1-N 3.43Å
82	S	91	Very high	91.1	Very high	76 Å²	76	48.3 Å²	48.3	53%	0.531	24%	0.243	S	C	.	.	H	α-helix	trans	-63.4	-44	176.6	-178.5	0	0	0	0	111.7	G78 I80 T85 R86	G78-S82 WeakPolarHBondContact O-CB 3.17Å; G78-S82 PolarHBondContact O-N 2.88Å; I80-S82 VanDerWaalsContact C-N 3.33Å; I80-S82 PolarHBondContact O-N 2.94Å; S82-T85 PolarHBondContact O-N 3.38Å; S82-R86 WeakPolarHBondContact O-CB 3.42Å; S82-R86 PolarHBondContact O-N 2.97Å
83	L	88.6	Confident	91.1	Very high	11 Å²	11	44.7 Å²	44.7	6%	0.058	23%	0.227	C	C	.	.	H	α-helix	trans	-62.1	-48.5	178	179.8	62.8	0	0	0	111.6	R79 I80 R86 T87 M142 L149 I151	R79-L83 WeakPolarHBondContact O-CB 3.35Å; R79-L83 PolarHBondContact O-N 2.91Å; I80-L83 PolarHBondContact O-N 3.13Å; L83-R86 PolarHBondContact O-N 3.11Å; L83-T87 WeakPolarHBondContact O-CB 3.48Å; L83-T87 PolarHBondContact O-N 3.41Å; L83-T87 PolarHBondContact O-OG1 2.98Å; L83-M142 HydrophobicContact CD1-CG 4.28Å; L83-M142 HydrophobicContact CD2-CE 4.48Å; L83-M142 HydrophobicContact CD2-CG 4.2Å; L83-M142 HydrophobicContact CD2-SD 4.09Å; L83-M142 HydrophobicContact CG-CG 3.98Å; L83-M142 HydrophobicContact CG-SD 3.74Å; L83-L149 HydrophobicContact CD2-CD1 4.49Å; L83-I151 HydrophobicContact CD2-CD1 3.87Å
84	I	89.8	Confident	91	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-62.5	-45.7	178	-68.1	171	0	0	0	110.5	F54 I80 R86 T87 L88 A100 V116 M118 L139 M142	F54-I84 HydrophobicContact CD2-CD1 4.4Å; F54-I84 HydrophobicContact CE2-CD1 3.66Å; F54-I84 HydrophobicContact CZ-CD1 4Å; I80-I84 HydrophobicContact CG2-CD1 3.83Å; I80-I84 WeakPolarHBondContact O-CG1 2.95Å; I80-I84 PolarHBondContact O-N 3.27Å; I84-R86 PolarHBondContact O-N 3.42Å; I84-T87 PolarHBondContact O-N 3.22Å; I84-L88 HydrophobicContact CG2-CD1 3.63Å; I84-L88 HydrophobicContact CG2-CG 4.45Å; I84-L88 WeakPolarHBondContact O-CB 3.21Å; I84-L88 WeakPolarHBondContact O-CG 3.31Å; I84-L88 PolarHBondContact O-N 2.95Å; I84-A100 HydrophobicContact CB-CB 4.31Å; I84-A100 HydrophobicContact CG2-CB 3.67Å; I84-V116 HydrophobicContact CD1-CB 4.3Å; I84-V116 HydrophobicContact CD1-CG1 3.83Å; I84-V116 HydrophobicContact CD1-CG2 3.98Å; I84-M118 HydrophobicContact CG2-SD 4.08Å; I84-L139 HydrophobicContact CG2-CD2 4.37Å; I84-M142 HydrophobicContact CG1-CE 4.11Å; I84-M142 HydrophobicContact CG1-SD 3.9Å
85	T	91.6	Very high	90.9	Very high	51 Å²	51	55.2 Å²	55.2	31%	0.313	28%	0.275	S	S	.	.	H	α-helix	trans	-59.3	-49.9	179.6	-66.7	0	0	0	0	111.3	E81 S82 L88 K89 F97	E81-T85 WeakPolarHBondContact O-CB 3.46Å; E81-T85 PolarHBondContact O-N 3.28Å; E81-T85 PolarHBondContact O-OG1 2.71Å; S82-T85 PolarHBondContact O-N 3.38Å; T85-L88 PolarHBondContact O-N 2.77Å; T85-K89 HydrophobicContact CG2-CG 4.32Å; T85-K89 VanDerWaalsContact O-CB 3.3Å; T85-K89 WeakPolarHBondContact O-CB 3.38Å; T85-K89 VanDerWaalsContact O-CG 3.24Å; T85-K89 WeakPolarHBondContact O-CG 3.14Å; T85-K89 PolarHBondContact O-N 3.03Å; T85-F97 HydrophobicContact CG2-CE1 4.07Å
86	R	90.9	Very high	91	Very high	130 Å²	130	54 Å²	54	49%	0.491	26%	0.264	S	S	.	.	H	α-helix	trans	-58.3	-51.3	178	179.8	176.3	57.8	176.4	0	111	S82 L83 I84 L88 K89 E90	S82-R86 WeakPolarHBondContact O-CB 3.42Å; S82-R86 PolarHBondContact O-N 2.97Å; L83-R86 PolarHBondContact O-N 3.11Å; I84-R86 PolarHBondContact O-N 3.42Å; R86-L88 PolarHBondContact O-N 2.92Å; R86-K89 PolarHBondContact O-N 2.92Å; R86-E90 HydrophobicContact CG-CG 4.41Å; R86-E90 WeakPolarHBondContact CG-OE1 3.34Å; R86-E90 WeakPolarHBondContact O-CB 3.28Å; R86-E90 WeakPolarHBondContact O-CG 3.48Å; R86-E90 PolarHBondContact O-N 2.83Å
87	T	89.6	Confident	91	Very high	25 Å²	25	53.6 Å²	53.6	15%	0.153	26%	0.262	C	S	.	.	H	α-helix	trans	-57	-48.5	-179	-53.6	0	0	0	0	111.6	L83 I84 E90 S91 I138 M142	L83-T87 WeakPolarHBondContact O-CB 3.48Å; L83-T87 PolarHBondContact O-N 3.41Å; L83-T87 PolarHBondContact O-OG1 2.98Å; I84-T87 PolarHBondContact O-N 3.22Å; T87-E90 PolarHBondContact O-N 2.91Å; T87-S91 WeakPolarHBondContact O-CB 3.21Å; T87-S91 PolarHBondContact O-N 3.03Å; T87-S91 VanDerWaalsContact O-N 3.16Å; T87-I138 HydrophobicContact CG2-CG2 3.81Å; T87-M142 HydrophobicContact CG2-CB 3.81Å; T87-M142 HydrophobicContact CG2-CG 4.05Å; T87-M142 HydrophobicContact CG2-SD 4.46Å; T87-M142 WeakPolarHBondContact OG1-CG 3.45Å
88	L	91.5	Very high	90.9	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-70.6	-35.3	-178.8	-71.3	168.3	0	0	0	112.4	I84 T85 R86 S91 L93 R94 F97 M118 F120 I138	I84-L88 HydrophobicContact CG2-CD1 3.63Å; I84-L88 HydrophobicContact CG2-CG 4.45Å; I84-L88 WeakPolarHBondContact O-CB 3.21Å; I84-L88 WeakPolarHBondContact O-CG 3.31Å; I84-L88 PolarHBondContact O-N 2.95Å; T85-L88 PolarHBondContact O-N 2.77Å; R86-L88 PolarHBondContact O-N 2.92Å; L88-S91 PolarHBondContact O-N 3.33Å; L88-S91 PolarHBondContact O-OG 2.96Å; L88-L93 HydrophobicContact CD2-CB 4.48Å; L88-L93 HydrophobicContact CD2-CD1 4Å; L88-R94 PolarHBondContact O-N 2.78Å; L88-F97 HydrophobicContact CB-CB 4.05Å; L88-F97 HydrophobicContact CB-CD1 3.87Å; L88-F97 HydrophobicContact CB-CD2 4.11Å; L88-F97 HydrophobicContact CB-CE1 4.35Å; L88-F97 HydrophobicContact CB-CG 3.72Å; L88-F97 HydrophobicContact CD1-CD1 4.49Å; L88-F97 HydrophobicContact CD1-CD2 3.4Å; L88-F97 VanDerWaalsContact CD1-CD2 3.4Å; L88-F97 HydrophobicContact CD1-CE2 3.45Å; L88-F97 VanDerWaalsContact CD1-CE2 3.45Å; L88-F97 HydrophobicContact CD1-CG 3.94Å; L88-F97 HydrophobicContact CD1-CZ 4.05Å; L88-F97 HydrophobicContact CG-CD2 4.35Å; L88-F97 HydrophobicContact CG-CG 4.45Å; L88-M118 HydrophobicContact CD1-SD 4.29Å; L88-F120 HydrophobicContact CD1-CE1 4.33Å; L88-F120 HydrophobicContact CD1-CZ 3.81Å; L88-F120 HydrophobicContact CD2-CE1 4.17Å; L88-F120 HydrophobicContact CD2-CZ 4.08Å; L88-I138 HydrophobicContact CD2-CG2 3.89Å
89	K	91.9	Very high	91	Very high	80 Å²	80	55.9 Å²	55.9	35%	0.348	27%	0.265	S	S	.	.	H	α-helix	trans	-73.9	-25.2	176.7	-69.6	-65.9	-167.2	-170.1	0	113.6	T85 R86 R94 F97 E184	T85-K89 HydrophobicContact CG2-CG 4.32Å; T85-K89 VanDerWaalsContact O-CB 3.3Å; T85-K89 WeakPolarHBondContact O-CB 3.38Å; T85-K89 VanDerWaalsContact O-CG 3.24Å; T85-K89 WeakPolarHBondContact O-CG 3.14Å; T85-K89 PolarHBondContact O-N 3.03Å; R86-K89 PolarHBondContact O-N 2.92Å; K89-R94 WeakPolarHBondContact O-CB 3.49Å; K89-F97 HydrophobicContact CD-CD1 3.98Å; K89-F97 HydrophobicContact CG-CD1 4.04Å; K89-F97 HydrophobicContact CG-CE1 4.43Å; K89-F97 PolarHBondContact NZ-O 3.43Å; K89-E184 IonicContact NZ-OE1 3.87Å
90	E	91.5	Very high	91.1	Very high	152 Å²	152	50.5 Å²	50.5	71%	0.71	25%	0.245	S	C	*	.	H	α-helix	trans	-83.8	-15.3	173	-71.4	171.8	-177.8	0	0	112.5	R86 T87	R86-E90 HydrophobicContact CG-CG 4.41Å; R86-E90 WeakPolarHBondContact CG-OE1 3.34Å; R86-E90 WeakPolarHBondContact O-CB 3.28Å; R86-E90 WeakPolarHBondContact O-CG 3.48Å; R86-E90 PolarHBondContact O-N 2.83Å; T87-E90 PolarHBondContact O-N 2.91Å
91	S	91.1	Very high	91.4	Very high	21 Å²	21	50.2 Å²	50.2	15%	0.147	24%	0.244	C	C	.	.	S	Bend	trans	-84.8	178.7	179.2	81.6	0	0	0	0	114.1	T87 L88 L93 R94 I138	T87-S91 WeakPolarHBondContact O-CB 3.21Å; T87-S91 PolarHBondContact O-N 3.03Å; T87-S91 VanDerWaalsContact O-N 3.16Å; L88-S91 PolarHBondContact O-N 3.33Å; L88-S91 PolarHBondContact O-OG 2.96Å; S91-L93 PolarHBondContact O-N 2.76Å; S91-L93 VanDerWaalsContact O-N 3.12Å; S91-L93 WeakPolarHBondContact OG-CB 3.23Å; S91-L93 PolarHBondContact OG-N 3.14Å; S91-R94 PolarHBondContact O-N 2.86Å; S91-I138 WeakPolarHBondContact OG-CD1 3.43Å
92	N	89.5	Confident	91.5	Very high	107 Å²	107	49.5 Å²	49.5	57%	0.572	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.7	0.2	170.9	74.4	12.5	0	0	0	114.4	Q96 R134	N92-Q96 PolarHBondContact O-OE1 3.1Å; N92-R134 PolarHBondContact O-NH2 3.38Å; N92-R134 PolarHBondContact OD1-NH2 2.85Å
93	L	91.1	Very high	91.6	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	4	174.6	-65.3	-179.2	0	0	0	113.9	L88 S91 N95 Q96 F97 F120 M131 R134 I135 I138	L88-L93 HydrophobicContact CD2-CB 4.48Å; L88-L93 HydrophobicContact CD2-CD1 4Å; S91-L93 PolarHBondContact O-N 2.76Å; S91-L93 VanDerWaalsContact O-N 3.12Å; S91-L93 WeakPolarHBondContact OG-CB 3.23Å; S91-L93 PolarHBondContact OG-N 3.14Å; L93-N95 PolarHBondContact O-N 3.12Å; L93-Q96 VanDerWaalsContact CA-OE1 3.22Å; L93-Q96 PolarHBondContact O-N 3.35Å; L93-Q96 PolarHBondContact O-OE1 3.37Å; L93-F97 WeakPolarHBondContact O-CB 3.27Å; L93-F97 PolarHBondContact O-N 3.05Å; L93-F120 HydrophobicContact CB-CE1 4.38Å; L93-F120 HydrophobicContact CD1-CE1 3.99Å; L93-M131 HydrophobicContact CD2-CE 4.29Å; L93-M131 HydrophobicContact CD2-SD 3.52Å; L93-M131 VanDerWaalsContact CD2-SD 3.52Å; L93-R134 VanDerWaalsContact CD2-NH2 3.32Å; L93-I135 HydrophobicContact CD1-CB 4.34Å; L93-I135 HydrophobicContact CD1-CG1 3.63Å; L93-I138 HydrophobicContact CB-CD1 4.22Å; L93-I138 HydrophobicContact CD1-CD1 3.4Å; L93-I138 HydrophobicContact CG-CD1 3.48Å; L93-I138 VanDerWaalsContact CG-CD1 3.48Å
94	R	91.6	Very high	91.7	Very high	153 Å²	153	51 Å²	51	58%	0.577	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-33.8	-173.4	74.8	-176.2	-174.9	-172.2	-2.1	115.4	L88 K89 S91	L88-R94 PolarHBondContact O-N 2.78Å; K89-R94 WeakPolarHBondContact O-CB 3.49Å; S91-R94 PolarHBondContact O-N 2.86Å
95	N	89.3	Confident	91.9	Very high	116 Å²	116	51.3 Å²	51.3	62%	0.62	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-20.5	-177.3	-68.3	-19.4	0	0	0	112.1	L93	L93-N95 PolarHBondContact O-N 3.12Å
96	Q	91.4	Very high	91.9	Very high	38 Å²	38	50 Å²	50	18%	0.178	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-36.1	179.8	-62.6	80.3	-0.6	0	0	110.9	N92 L93 M98 F120 R121 F122 M131	N92-Q96 PolarHBondContact O-OE1 3.1Å; L93-Q96 VanDerWaalsContact CA-OE1 3.22Å; L93-Q96 PolarHBondContact O-N 3.35Å; L93-Q96 PolarHBondContact O-OE1 3.37Å; Q96-M98 PolarHBondContact O-N 2.83Å; Q96-F120 HydrophobicContact CB-CD1 4.26Å; Q96-F120 CarbonylContact O-C 3.56Å; Q96-F120 WeakPolarHBondContact O-CA 3.19Å; Q96-R121 WeakPolarHBondContact CA-O 3.43Å; Q96-R121 PolarHBondContact O-N 3.29Å; Q96-F122 HydrophobicContact CG-CB 4.05Å; Q96-M131 HydrophobicContact CG-CE 4.37Å
97	F	93	Very high	91.9	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.009	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	123.9	-179.4	175.5	-110.6	0	0	0	111.2	T85 L88 K89 L93 R99 A100 F120	T85-F97 HydrophobicContact CG2-CE1 4.07Å; L88-F97 HydrophobicContact CB-CB 4.05Å; L88-F97 HydrophobicContact CB-CD1 3.87Å; L88-F97 HydrophobicContact CB-CD2 4.11Å; L88-F97 HydrophobicContact CB-CE1 4.35Å; L88-F97 HydrophobicContact CB-CG 3.72Å; L88-F97 HydrophobicContact CD1-CD1 4.49Å; L88-F97 HydrophobicContact CD1-CD2 3.4Å; L88-F97 VanDerWaalsContact CD1-CD2 3.4Å; L88-F97 HydrophobicContact CD1-CE2 3.45Å; L88-F97 VanDerWaalsContact CD1-CE2 3.45Å; L88-F97 HydrophobicContact CD1-CG 3.94Å; L88-F97 HydrophobicContact CD1-CZ 4.05Å; L88-F97 HydrophobicContact CG-CD2 4.35Å; L88-F97 HydrophobicContact CG-CG 4.45Å; K89-F97 HydrophobicContact CD-CD1 3.98Å; K89-F97 HydrophobicContact CG-CD1 4.04Å; K89-F97 HydrophobicContact CG-CE1 4.43Å; K89-F97 PolarHBondContact NZ-O 3.43Å; L93-F97 WeakPolarHBondContact O-CB 3.27Å; L93-F97 PolarHBondContact O-N 3.05Å; F97-R99 WeakPolarHBondContact CE2-O 3.33Å; F97-R99 VanDerWaalsContact CZ-C 3.43Å; F97-A100 HydrophobicContact CE2-CB 4.04Å; F97-A100 HydrophobicContact CZ-CB 3.92Å; F97-F120 HydrophobicContact CB-CD1 4.06Å; F97-F120 HydrophobicContact CB-CE1 3.82Å; F97-F120 HydrophobicContact CD2-CD1 4.4Å; F97-F120 AromaticContact CD2-CE1 3.87Å; F97-F120 HydrophobicContact CD2-CE1 3.87Å; F97-F120 HydrophobicContact CD2-CE2 4.37Å; F97-F120 AromaticContact CD2-CZ 3.86Å; F97-F120 HydrophobicContact CD2-CZ 3.86Å; F97-F120 HydrophobicContact CG-CE1 4.31Å
98	M	91.9	Very high	91.7	Very high	27 Å²	27	50.4 Å²	50.4	13%	0.133	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	-66.1	175.7	-57.9	-64.5	-58.8	0	0	109.8	Q96 K119 R121 E184	Q96-M98 PolarHBondContact O-N 2.83Å; M98-K119 HydrophobicContact CB-CB 4.29Å; M98-K119 HydrophobicContact CB-CD 4.48Å; M98-K119 HydrophobicContact CB-CG 4.27Å; M98-K119 WeakPolarHBondContact CB-O 3.27Å; M98-K119 HydrophobicContact CG-CG 4.3Å; M98-K119 PolarHBondContact N-O 3.36Å; M98-R121 HydrophobicContact CG-CB 4.07Å; M98-R121 HydrophobicContact SD-CB 3.99Å; M98-E184 HydrophobicContact CE-CG 4.28Å
99	R	93	Very high	91.4	Very high	47 Å²	47	53.2 Å²	53.2	18%	0.177	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	152.2	-172.9	-173.1	175.5	-179.4	105.5	11.1	111.8	F97 M118 K119 L182	F97-R99 WeakPolarHBondContact CE2-O 3.33Å; F97-R99 VanDerWaalsContact CZ-C 3.43Å; R99-M118 CarbonylContact O-C 3.51Å; R99-M118 WeakPolarHBondContact O-CA 3.29Å; R99-K119 PolarHBondContact O-N 2.88Å; R99-L182 HydrophobicContact CB-CB 4.27Å; R99-L182 HydrophobicContact CG-CD2 4.27Å
100	A	93.3	Very high	90.8	Very high	2 Å²	2	54.2 Å²	54.2	2%	0.017	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	147	167.6	0	0	0	0	0	109.2	I84 F97 V116 V117 M118	I84-A100 HydrophobicContact CB-CB 4.31Å; I84-A100 HydrophobicContact CG2-CB 3.67Å; F97-A100 HydrophobicContact CE2-CB 4.04Å; F97-A100 HydrophobicContact CZ-CB 3.92Å; A100-V116 HydrophobicContact CB-CG1 4.07Å; A100-V117 CarbonylContact C-O 3.55Å; A100-V117 WeakPolarHBondContact CA-O 3.26Å; A100-M118 HydrophobicContact CB-CG 3.79Å
101	H	95	Very high	90.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	132	178.3	-173.3	76.8	0	0	0	110.9	E81 V103 V116 V117 L169 E172 L179 L182	E81-H101 IonicContact OE1-CE1 3.37Å; E81-H101 IonicContact OE1-CG 3.16Å; E81-H101 IonicContact OE1-ND1 2.74Å; E81-H101 PolarHBondContact OE1-ND1 3.48Å; H101-V103 PolarHBondContact O-N 3.49Å; H101-V116 WeakPolarHBondContact O-CA 3.35Å; H101-V116 WeakPolarHBondContact O-CG1 3.4Å; H101-V117 PolarHBondContact N-O 3.46Å; H101-V117 PolarHBondContact O-N 3.46Å; H101-L169 HydrophobicContact CB-CD2 4.49Å; H101-E172 IonicContact CD2-OE2 3.83Å; H101-E172 IonicContact CE1-OE2 3.52Å; H101-E172 IonicContact NE2-OE1 3.23Å; H101-E172 IonicContact NE2-OE2 3.6Å; H101-E172 PolarHBondContact NE2-OE2 2.92Å; H101-L179 HydrophobicContact CB-CD1 4.31Å; H101-L179 WeakPolarHBondContact ND1-CD1 3.41Å; H101-L182 HydrophobicContact CB-CD2 3.79Å
102	V	94.2	Very high	90.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	104.7	176	173.6	0	0	0	0	108.5	I80 E81 L105 D115 V116	I80-V102 HydrophobicContact CB-CG2 3.9Å; I80-V102 HydrophobicContact CD1-CG2 4.37Å; I80-V102 HydrophobicContact CG2-CG2 3.7Å; E81-V102 HydrophobicContact CG-CB 4.44Å; E81-V102 HydrophobicContact CG-CG2 3.8Å; E81-V102 PolarHBondContact OE1-N 3.43Å; V102-L105 HydrophobicContact CG1-CD2 3.64Å; V102-L105 HydrophobicContact CG1-CG 3.98Å; V102-D115 CarbonylContact C-O 3.59Å; V102-D115 WeakPolarHBondContact CA-O 3.33Å; V102-V116 HydrophobicContact CG2-CG2 3.87Å
103	V	93.1	Very high	90.7	Very high	12 Å²	12	45.9 Å²	45.9	7%	0.073	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-22.1	-177.8	-67.5	0	0	0	0	112.9	H101 D115 V117 W168 L169	H101-V103 PolarHBondContact O-N 3.49Å; V103-D115 HydrophobicContact CG2-CB 3.79Å; V103-D115 WeakPolarHBondContact CG2-O 3.31Å; V103-D115 PolarHBondContact N-O 2.83Å; V103-V117 HydrophobicContact CG1-CB 4.22Å; V103-V117 HydrophobicContact CG1-CG2 3.76Å; V103-V117 HydrophobicContact CG2-CG2 4.07Å; V103-W168 HydrophobicContact CB-CE3 4.44Å; V103-W168 HydrophobicContact CG1-CB 4.35Å; V103-W168 HydrophobicContact CG2-CD2 4.41Å; V103-W168 HydrophobicContact CG2-CE3 3.72Å; V103-W168 HydrophobicContact CG2-CZ3 4.35Å; V103-L169 HydrophobicContact CG1-CD2 3.73Å; V103-L169 HydrophobicContact CG1-CG 4.3Å
104	K	92.3	Very high	90.7	Very high	107 Å²	107	45.9 Å²	45.9	47%	0.465	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	136.4	179.4	-168.2	176.3	-177.8	-177.9	0	111.9	Y73 A114 D115	Y73-K104 WeakPolarHBondContact OH-CA 3.35Å; K104-A114 WeakPolarHBondContact O-CA 3.23Å; K104-D115 HydrophobicContact CB-CB 4.16Å; K104-D115 PolarHBondContact O-N 2.85Å
105	L	93.1	Very high	90.8	Very high	7 Å²	7	39 Å²	39	4%	0.037	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	134.4	159.4	-58.9	178.6	0	0	0	108.4	L65 Y73 L76 I80 V102 V112 R113 A114	L65-L105 HydrophobicContact CD2-CD1 4.06Å; Y73-L105 HydrophobicContact CD1-CD1 4.12Å; Y73-L105 HydrophobicContact CD2-CB 4.11Å; Y73-L105 HydrophobicContact CD2-CD1 3.72Å; Y73-L105 HydrophobicContact CD2-CG 4.15Å; Y73-L105 HydrophobicContact CE1-CD1 4.21Å; Y73-L105 HydrophobicContact CE1-CG 4.35Å; Y73-L105 HydrophobicContact CE2-CB 3.61Å; Y73-L105 HydrophobicContact CE2-CD1 3.8Å; Y73-L105 HydrophobicContact CE2-CG 3.7Å; Y73-L105 HydrophobicContact CG-CD1 3.89Å; Y73-L105 PolarHBondContact OH-N 3.04Å; L76-L105 HydrophobicContact CB-CD1 4.24Å; L76-L105 HydrophobicContact CD2-CD1 4Å; L76-L105 HydrophobicContact CG-CD1 4.16Å; I80-L105 HydrophobicContact CD1-CD2 4.02Å; V102-L105 HydrophobicContact CG1-CD2 3.64Å; V102-L105 HydrophobicContact CG1-CG 3.98Å; L105-V112 HydrophobicContact CB-CG1 4.25Å; L105-V112 HydrophobicContact CD2-CG1 4.2Å; L105-R113 CarbonylContact C-O 3.53Å; L105-R113 WeakPolarHBondContact CA-O 3.3Å; L105-A114 HydrophobicContact CD2-CB 3.56Å
106	S	92.1	Very high	91	Very high	23 Å²	23	33.4 Å²	33.4	16%	0.161	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	159.3	-177	56.7	0	0	0	0	111.5	R113	S106-R113 PolarHBondContact N-O 3.44Å; S106-R113 PolarHBondContact O-N 2.88Å; S106-R113 PolarHBondContact OG-O 3.45Å
107	Q	91.2	Very high	91.1	Very high	126 Å²	126	31.6 Å²	31.6	59%	0.589	17%	0.174	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-72.9	136.3	178.9	-171.5	172.9	7.4	0	0	110.8	Y61 G109	Y61-Q107 HydrophobicContact CD1-CB 3.68Å; Y61-Q107 HydrophobicContact CD1-CG 3.86Å; Y61-Q107 VanDerWaalsContact CD2-CA 3.42Å; Y61-Q107 HydrophobicContact CD2-CB 3.81Å; Y61-Q107 HydrophobicContact CD2-CG 4.37Å; Y61-Q107 HydrophobicContact CE1-CB 3.86Å; Y61-Q107 HydrophobicContact CE1-CG 4.48Å; Y61-Q107 HydrophobicContact CE2-CB 3.99Å; Y61-Q107 HydrophobicContact CG-CB 3.65Å; Y61-Q107 HydrophobicContact CG-CG 3.79Å; Q107-G109 WeakPolarHBondContact CG-O 3.37Å; Q107-G109 PolarHBondContact NE2-O 3.24Å
108	D	85.7	Confident	91.2	Very high	39 Å²	39	31.5 Å²	31.5	21%	0.209	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	90.9	174.3	-163.1	1.9	0	0	0	109.9	S110 G111 R113	D108-S110 PolarHBondContact O-N 3.46Å; D108-G111 PolarHBondContact N-O 3.49Å; D108-G111 PolarHBondContact O-N 3.33Å; D108-R113 HydrophobicContact CB-CB 3.8Å; D108-R113 IonicContact OD1-NH2 2.76Å; D108-R113 PolarHBondContact OD1-NH2 2.86Å; D108-R113 IonicContact OD2-CZ 3.8Å; D108-R113 VanDerWaalsContact OD2-CZ 3.28Å; D108-R113 IonicContact OD2-NE 3.28Å; D108-R113 PolarHBondContact OD2-NE 2.9Å; D108-R113 IonicContact OD2-NH2 3.23Å; D108-R113 PolarHBondContact OD2-NH2 2.85Å
109	G	84.3	Confident	91.3	Very high	58 Å²	58	31.4 Å²	31.4	60%	0.598	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.4	-125	-165.7	0	0	0	0	0	111.2	Q107	Q107-G109 WeakPolarHBondContact CG-O 3.37Å; Q107-G109 PolarHBondContact NE2-O 3.24Å
110	S	78.9	Confident	91.3	Very high	101 Å²	101	29.2 Å²	29.2	71%	0.706	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-15.4	169.8	55.3	0	0	0	0	113.3	E60 Y61 D108	E60-S110 WeakPolarHBondContact CA-O 3.47Å; Y61-S110 PolarHBondContact N-O 2.88Å; D108-S110 PolarHBondContact O-N 3.46Å
111	G	86.8	Confident	91.1	Very high	5 Å²	5	34.2 Å²	34.2	5%	0.052	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	-175.4	-175.2	0	0	0	0	0	113.9	V59 D108	V59-G111 WeakPolarHBondContact O-CA 3.23Å; D108-G111 PolarHBondContact N-O 3.49Å; D108-G111 PolarHBondContact O-N 3.33Å
112	V	91.1	Very high	90.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	132	180	-177.1	0	0	0	0	110.3	L56 V59 Y61 L65 L76 L105	L56-V112 HydrophobicContact CB-CB 4.28Å; L56-V112 HydrophobicContact CD1-CB 4.15Å; L56-V112 HydrophobicContact CD1-CG1 4.23Å; L56-V112 HydrophobicContact CG-CB 4.44Å; L56-V112 PolarHBondContact N-O 3.42Å; L56-V112 PolarHBondContact O-N 2.93Å; V59-V112 HydrophobicContact CB-CG2 4.05Å; V59-V112 HydrophobicContact CG1-CG2 3.65Å; Y61-V112 HydrophobicContact CD2-CG2 4.05Å; L65-V112 HydrophobicContact CD1-CG1 4.2Å; L65-V112 HydrophobicContact CD1-CG2 3.47Å; L65-V112 VanDerWaalsContact CD1-CG2 3.47Å; L76-V112 HydrophobicContact CD2-CG1 4.29Å; L105-V112 HydrophobicContact CB-CG1 4.25Å; L105-V112 HydrophobicContact CD2-CG1 4.2Å
113	R	91.8	Very high	90	Very high	100 Å²	100	35.3 Å²	35.3	38%	0.377	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	125.5	166.2	178.2	-177.5	-59.9	-174	3.8	110.5	F54 L105 S106 D108	F54-R113 CarbonylContact O-C 3.58Å; F54-R113 WeakPolarHBondContact O-CA 3.5Å; L105-R113 CarbonylContact C-O 3.53Å; L105-R113 WeakPolarHBondContact CA-O 3.3Å; S106-R113 PolarHBondContact N-O 3.44Å; S106-R113 PolarHBondContact O-N 2.88Å; S106-R113 PolarHBondContact OG-O 3.45Å; D108-R113 HydrophobicContact CB-CB 3.8Å; D108-R113 IonicContact OD1-NH2 2.76Å; D108-R113 PolarHBondContact OD1-NH2 2.86Å; D108-R113 IonicContact OD2-CZ 3.8Å; D108-R113 VanDerWaalsContact OD2-CZ 3.28Å; D108-R113 IonicContact OD2-NE 3.28Å; D108-R113 PolarHBondContact OD2-NE 2.9Å; D108-R113 IonicContact OD2-NH2 3.23Å; D108-R113 PolarHBondContact OD2-NH2 2.85Å
114	A	92.1	Very high	88.7	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	118.5	175.2	0	0	0	0	0	110.9	S53 F54 I80 K104 L105	S53-A114 WeakPolarHBondContact CA-O 3.27Å; F54-A114 PolarHBondContact N-O 3.28Å; F54-A114 PolarHBondContact O-N 3.42Å; I80-A114 HydrophobicContact CD1-CB 3.76Å; K104-A114 WeakPolarHBondContact O-CA 3.23Å; L105-A114 HydrophobicContact CD2-CB 3.56Å
115	D	92.6	Very high	87.3	Confident	8 Å²	8	45.9 Å²	45.9	4%	0.043	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	123.7	169.7	-77.5	-59.4	0	0	0	109.7	R51 S53 V102 V103 K104	R51-D115 IonicContact CZ-OD1 2.92Å; R51-D115 IonicContact NE-OD1 3.98Å; R51-D115 PolarHBondContact NE-OD1 3.37Å; R51-D115 VanDerWaalsContact NE-OD1 3.16Å; R51-D115 IonicContact NH2-OD1 3.86Å; R51-D115 PolarHBondContact NH2-OD1 2.93Å; R51-D115 IonicContact NH2-OD2 3.54Å; S53-D115 PolarHBondContact OG-OD1 3.16Å; V102-D115 CarbonylContact C-O 3.59Å; V102-D115 WeakPolarHBondContact CA-O 3.33Å; V103-D115 HydrophobicContact CG2-CB 3.79Å; V103-D115 WeakPolarHBondContact CG2-O 3.31Å; V103-D115 PolarHBondContact N-O 2.83Å; K104-D115 HydrophobicContact CB-CB 4.16Å; K104-D115 PolarHBondContact O-N 2.85Å
116	V	93.4	Very high	85.8	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	130.7	-176.8	-173.4	0	0	0	0	110	R51 S52 F54 I80 I84 A100 H101 V102 M118	R51-V116 WeakPolarHBondContact CA-O 3.35Å; S52-V116 PolarHBondContact N-O 3.24Å; S52-V116 PolarHBondContact O-N 3.02Å; F54-V116 HydrophobicContact CD2-CB 4.38Å; F54-V116 HydrophobicContact CD2-CG2 3.72Å; F54-V116 HydrophobicContact CE2-CB 3.93Å; F54-V116 HydrophobicContact CE2-CG2 3.69Å; I80-V116 HydrophobicContact CG2-CG2 4.1Å; I84-V116 HydrophobicContact CD1-CB 4.3Å; I84-V116 HydrophobicContact CD1-CG1 3.83Å; I84-V116 HydrophobicContact CD1-CG2 3.98Å; A100-V116 HydrophobicContact CB-CG1 4.07Å; H101-V116 WeakPolarHBondContact O-CA 3.35Å; H101-V116 WeakPolarHBondContact O-CG1 3.4Å; V102-V116 HydrophobicContact CG2-CG2 3.87Å; V116-M118 HydrophobicContact CG1-CG 4.06Å
117	V	94.9	Very high	84.5	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	131.9	170.1	179.1	0	0	0	0	108.7	F49 Y50 A100 H101 V103 L160 A165 W168 L182	F49-V117 HydrophobicContact CD1-CG1 4.1Å; Y50-V117 WeakPolarHBondContact O-CA 3.4Å; A100-V117 CarbonylContact C-O 3.55Å; A100-V117 WeakPolarHBondContact CA-O 3.26Å; H101-V117 PolarHBondContact N-O 3.46Å; H101-V117 PolarHBondContact O-N 3.46Å; V103-V117 HydrophobicContact CG1-CB 4.22Å; V103-V117 HydrophobicContact CG1-CG2 3.76Å; V103-V117 HydrophobicContact CG2-CG2 4.07Å; V117-L160 HydrophobicContact CG1-CD1 4.39Å; V117-L160 HydrophobicContact CG2-CD1 4.32Å; V117-A165 HydrophobicContact CG1-CB 4.39Å; V117-W168 HydrophobicContact CG2-CB 4.09Å; V117-W168 HydrophobicContact CG2-CG 4.39Å; V117-L182 HydrophobicContact CG1-CD1 4Å
118	M	94.4	Very high	83.3	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	139.8	-178.1	-62.1	168.1	-79.4	0	0	110.1	F49 Y50 I84 L88 R99 A100 V116 F120 L139	F49-M118 CarbonylContact C-O 3.58Å; F49-M118 WeakPolarHBondContact CA-O 3.32Å; Y50-M118 PolarHBondContact N-O 2.91Å; Y50-M118 PolarHBondContact O-N 3.44Å; I84-M118 HydrophobicContact CG2-SD 4.08Å; L88-M118 HydrophobicContact CD1-SD 4.29Å; R99-M118 CarbonylContact O-C 3.51Å; R99-M118 WeakPolarHBondContact O-CA 3.29Å; A100-M118 HydrophobicContact CB-CG 3.79Å; V116-M118 HydrophobicContact CG1-CG 4.06Å; M118-F120 HydrophobicContact CB-CD2 4.34Å; M118-F120 HydrophobicContact CB-CE2 3.66Å; M118-F120 HydrophobicContact SD-CE2 4.5Å; M118-L139 HydrophobicContact CE-CD1 3.95Å; M118-L139 HydrophobicContact SD-CD1 4.13Å
119	K	94.3	Very high	82.7	Confident	25 Å²	25	49.7 Å²	49.7	11%	0.109	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	132.9	175.2	-176.1	178.3	-179.2	-173.8	0	111	S47 F49 M98 R99 T181 L182	S47-K119 VanDerWaalsContact CB-CE 3.45Å; S47-K119 WeakPolarHBondContact OG-CE 3.27Å; F49-K119 HydrophobicContact CD1-CB 4.06Å; F49-K119 HydrophobicContact CD1-CG 4.36Å; F49-K119 HydrophobicContact CE1-CB 3.91Å; F49-K119 HydrophobicContact CE1-CD 3.9Å; F49-K119 HydrophobicContact CE1-CG 3.98Å; F49-K119 HydrophobicContact CZ-CD 3.86Å; F49-K119 HydrophobicContact CZ-CG 4.19Å; M98-K119 HydrophobicContact CB-CB 4.29Å; M98-K119 HydrophobicContact CB-CD 4.48Å; M98-K119 HydrophobicContact CB-CG 4.27Å; M98-K119 WeakPolarHBondContact CB-O 3.27Å; M98-K119 HydrophobicContact CG-CG 4.3Å; M98-K119 PolarHBondContact N-O 3.36Å; R99-K119 PolarHBondContact O-N 2.88Å; K119-T181 WeakPolarHBondContact CD-O 3.34Å; K119-T181 WeakPolarHBondContact CE-O 3.42Å; K119-T181 PolarHBondContact NZ-O 2.88Å; K119-L182 HydrophobicContact CB-CB 3.84Å; K119-L182 HydrophobicContact CB-CD1 3.84Å; K119-L182 HydrophobicContact CB-CG 4.49Å; K119-L182 HydrophobicContact CD-CB 3.83Å
120	F	92.4	Very high	82.5	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	150.8	173.7	-64.8	-101.6	0	0	0	110.3	S47 Y48 Y50 L88 L93 Q96 F97 M118 F122 I135	S47-F120 CarbonylContact C-O 3.55Å; S47-F120 WeakPolarHBondContact CA-O 3.16Å; Y48-F120 PolarHBondContact N-O 2.77Å; Y48-F120 PolarHBondContact O-N 2.91Å; Y50-F120 AromaticContact CD2-CD2 3.63Å; Y50-F120 HydrophobicContact CD2-CD2 3.63Å; Y50-F120 HydrophobicContact CD2-CE2 4.09Å; Y50-F120 HydrophobicContact CE2-CB 4.47Å; Y50-F120 HydrophobicContact CE2-CD2 4.05Å; L88-F120 HydrophobicContact CD1-CE1 4.33Å; L88-F120 HydrophobicContact CD1-CZ 3.81Å; L88-F120 HydrophobicContact CD2-CE1 4.17Å; L88-F120 HydrophobicContact CD2-CZ 4.08Å; L93-F120 HydrophobicContact CB-CE1 4.38Å; L93-F120 HydrophobicContact CD1-CE1 3.99Å; Q96-F120 HydrophobicContact CB-CD1 4.26Å; Q96-F120 CarbonylContact O-C 3.56Å; Q96-F120 WeakPolarHBondContact O-CA 3.19Å; F97-F120 HydrophobicContact CB-CD1 4.06Å; F97-F120 HydrophobicContact CB-CE1 3.82Å; F97-F120 HydrophobicContact CD2-CD1 4.4Å; F97-F120 AromaticContact CD2-CE1 3.87Å; F97-F120 HydrophobicContact CD2-CE1 3.87Å; F97-F120 HydrophobicContact CD2-CE2 4.37Å; F97-F120 AromaticContact CD2-CZ 3.86Å; F97-F120 HydrophobicContact CD2-CZ 3.86Å; F97-F120 HydrophobicContact CG-CE1 4.31Å; M118-F120 HydrophobicContact CB-CD2 4.34Å; M118-F120 HydrophobicContact CB-CE2 3.66Å; M118-F120 HydrophobicContact SD-CE2 4.5Å; F120-F122 HydrophobicContact CB-CD1 4Å; F120-F122 HydrophobicContact CB-CE1 4.05Å; F120-I135 HydrophobicContact CD1-CD1 4.35Å; F120-I135 HydrophobicContact CD2-CD1 3.87Å; F120-I135 HydrophobicContact CE1-CD1 4.13Å; F120-I135 HydrophobicContact CE1-CG1 3.98Å; F120-I135 HydrophobicContact CE2-CD1 3.6Å; F120-I135 HydrophobicContact CE2-CG1 4.14Å; F120-I135 HydrophobicContact CE2-CG2 4.32Å; F120-I135 HydrophobicContact CG-CD1 4.22Å; F120-I135 HydrophobicContact CZ-CD1 3.74Å; F120-I135 HydrophobicContact CZ-CG1 3.74Å; F120-I135 HydrophobicContact CZ-CG2 3.96Å
121	R	90.3	Very high	82.8	Confident	108 Å²	108	45.3 Å²	45.3	41%	0.408	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	119.3	176.5	179.9	176	60.4	173.4	-3.5	109.8	Q45 K46 Q96 M98	Q45-R121 HydrophobicContact CB-CG 3.7Å; K46-R121 WeakPolarHBondContact O-CA 3.45Å; Q96-R121 WeakPolarHBondContact CA-O 3.43Å; Q96-R121 PolarHBondContact O-N 3.29Å; M98-R121 HydrophobicContact CG-CB 4.07Å; M98-R121 HydrophobicContact SD-CB 3.99Å
122	F	86.8	Confident	82.9	Confident	4 Å²	4	47.9 Å²	47.9	2%	0.018	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	167.8	-179	59.3	-89.8	0	0	0	112	K46 Y48 Y50 Q96 F120 N126 M131	K46-F122 PolarHBondContact N-O 2.87Å; K46-F122 PolarHBondContact O-N 2.91Å; Y48-F122 HydrophobicContact CD1-CZ 4.18Å; Y48-F122 AromaticContact CD2-CD1 3.78Å; Y48-F122 HydrophobicContact CD2-CD1 3.78Å; Y48-F122 HydrophobicContact CD2-CD2 4.17Å; Y48-F122 AromaticContact CD2-CE1 3.26Å; Y48-F122 HydrophobicContact CD2-CE1 3.26Å; Y48-F122 AromaticContact CD2-CE2 3.73Å; Y48-F122 HydrophobicContact CD2-CE2 3.73Å; Y48-F122 HydrophobicContact CD2-CG 4.2Å; Y48-F122 AromaticContact CD2-CZ 3.23Å; Y48-F122 HydrophobicContact CD2-CZ 3.23Å; Y48-F122 HydrophobicContact CE2-CD1 4.36Å; Y48-F122 AromaticContact CE2-CD2 3.97Å; Y48-F122 HydrophobicContact CE2-CD2 3.97Å; Y48-F122 HydrophobicContact CE2-CE1 4.04Å; Y48-F122 AromaticContact CE2-CE2 3.63Å; Y48-F122 HydrophobicContact CE2-CE2 3.63Å; Y48-F122 HydrophobicContact CE2-CG 4.33Å; Y48-F122 AromaticContact CE2-CZ 3.66Å; Y48-F122 HydrophobicContact CE2-CZ 3.66Å; Y48-F122 AromaticContact CG-CE1 3.67Å; Y48-F122 HydrophobicContact CG-CE1 3.67Å; Y48-F122 HydrophobicContact CG-CE2 4.34Å; Y48-F122 AromaticContact CG-CZ 3.53Å; Y48-F122 HydrophobicContact CG-CZ 3.53Å; Y50-F122 HydrophobicContact CE2-CE1 4.3Å; Q96-F122 HydrophobicContact CG-CB 4.05Å; F120-F122 HydrophobicContact CB-CD1 4Å; F120-F122 HydrophobicContact CB-CE1 4.05Å; F122-N126 HydrophobicContact CD2-CB 3.91Å; F122-N126 HydrophobicContact CE2-CB 4.4Å; F122-M131 HydrophobicContact CB-CE 4.14Å; F122-M131 HydrophobicContact CD1-CE 3.84Å; F122-M131 HydrophobicContact CD1-CG 4.16Å; F122-M131 HydrophobicContact CD1-SD 4.46Å; F122-M131 HydrophobicContact CD2-CE 3.99Å; F122-M131 HydrophobicContact CE1-CB 4.31Å; F122-M131 HydrophobicContact CE1-CE 4.22Å; F122-M131 HydrophobicContact CE1-CG 3.6Å; F122-M131 HydrophobicContact CE1-SD 4.47Å; F122-M131 HydrophobicContact CE2-CB 4.19Å; F122-M131 HydrophobicContact CE2-CE 4.35Å; F122-M131 HydrophobicContact CE2-CG 4.31Å; F122-M131 HydrophobicContact CG-CE 3.73Å; F122-M131 HydrophobicContact CZ-CB 3.87Å; F122-M131 HydrophobicContact CZ-CE 4.46Å; F122-M131 HydrophobicContact CZ-CG 3.69Å
123	T	78.9	Confident	82.7	Confident	19 Å²	19	51.1 Å²	51.1	12%	0.117	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	146.3	-179.5	57.8	0	0	0	0	112.3	F40 Q45 N125 N126	F40-T123 WeakPolarHBondContact O-CG2 3.46Å; Q45-T123 HydrophobicContact CG-CG2 4.03Å; T123-N125 PolarHBondContact O-N 3.43Å; T123-N125 VanDerWaalsContact O-N 3.12Å; T123-N126 WeakPolarHBondContact O-CB 3.26Å; T123-N126 PolarHBondContact O-N 3.27Å; T123-N126 PolarHBondContact OG1-ND2 3.43Å
124	R	65.6	Low	82.5	Confident	181 Å²	181	49.6 Å²	49.6	68%	0.683	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-26	-176	-166.3	178.9	-178.9	179.7	0.7	114.2	N126	R124-N126 PolarHBondContact O-N 2.91Å
125	N	61.8	Low	82.4	Confident	160 Å²	160	49.6 Å²	49.6	86%	0.856	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-17.8	178.1	-73.9	-5.2	0	0	0	113.5	T123 N127	T123-N125 PolarHBondContact O-N 3.43Å; T123-N125 VanDerWaalsContact O-N 3.12Å; N125-N127 PolarHBondContact O-N 3.5Å; N125-N127 VanDerWaalsContact O-N 3.1Å
126	N	61.9	Low	82.2	Confident	64 Å²	64	51.1 Å²	51.1	34%	0.342	27%	0.268	S	S	.	.	S	Bend	trans	-75	97.5	163.1	-69	-44.8	0	0	0	107.4	F122 T123 R124 G128 M131	F122-N126 HydrophobicContact CD2-CB 3.91Å; F122-N126 HydrophobicContact CE2-CB 4.4Å; T123-N126 WeakPolarHBondContact O-CB 3.26Å; T123-N126 PolarHBondContact O-N 3.27Å; T123-N126 PolarHBondContact OG1-ND2 3.43Å; R124-N126 PolarHBondContact O-N 2.91Å; N126-G128 PolarHBondContact O-N 2.86Å; N126-G128 VanDerWaalsContact O-N 3.14Å; N126-M131 HydrophobicContact CB-CE 4.48Å
127	N	66.3	Low	81.9	Confident	117 Å²	117	54.2 Å²	54.2	63%	0.626	29%	0.29	S	S	*	.			trans	-47.5	121.3	-176.6	-162.2	-2.7	0	0	0	110.2	N125 A129 S130 M131	N125-N127 PolarHBondContact O-N 3.5Å; N125-N127 VanDerWaalsContact O-N 3.1Å; N127-A129 PolarHBondContact O-N 3.3Å; N127-S130 WeakPolarHBondContact O-CA 3.47Å; N127-S130 VanDerWaalsContact O-CB 3.24Å; N127-S130 WeakPolarHBondContact O-CB 3.46Å; N127-S130 PolarHBondContact O-N 3.46Å; N127-M131 PolarHBondContact O-N 3.32Å; N127-M131 VanDerWaalsContact O-N 3.11Å
128	G	65.8	Low	81.5	Confident	32 Å²	32	54.7 Å²	54.7	33%	0.33	29%	0.293	S	S	.	.	H	α-helix	trans	-55	-30.8	-171.7	0	0	0	0	0	113.6	N126 M131 K132	N126-G128 PolarHBondContact O-N 2.86Å; N126-G128 VanDerWaalsContact O-N 3.14Å; G128-M131 PolarHBondContact O-N 3.48Å; G128-K132 PolarHBondContact O-N 3.41Å
129	A	71.6	Confident	81.1	Confident	62 Å²	62	54.7 Å²	54.7	51%	0.512	29%	0.293	S	S	.	.	H	α-helix	trans	-63.6	-41.8	171.5	0	0	0	0	0	112.9	N127 M131 K132 S133	N127-A129 PolarHBondContact O-N 3.3Å; A129-M131 VanDerWaalsContact C-N 3.35Å; A129-K132 PolarHBondContact O-N 2.98Å; A129-S133 PolarHBondContact O-N 2.93Å; A129-S133 PolarHBondContact O-OG 3.01Å
130	S	80.7	Confident	80.4	Confident	65 Å²	65	57.3 Å²	57.3	46%	0.455	31%	0.305	S	S	.	.	H	α-helix	trans	-63.9	-39.9	174	178.1	0	0	0	0	111.3	N127 S133 R134	N127-S130 WeakPolarHBondContact O-CA 3.47Å; N127-S130 VanDerWaalsContact O-CB 3.24Å; N127-S130 WeakPolarHBondContact O-CB 3.46Å; N127-S130 PolarHBondContact O-N 3.46Å; S130-S133 PolarHBondContact O-N 3.46Å; S130-R134 VanDerWaalsContact O-CG 3.26Å; S130-R134 WeakPolarHBondContact O-CG 3.32Å; S130-R134 PolarHBondContact O-N 2.84Å
131	M	86.1	Confident	79.5	Confident	1 Å²	1	62.7 Å²	62.7	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-64.7	-46.7	175.3	-172.4	60.4	65.3	0	0	111.6	L93 Q96 F122 N126 N127 G128 A129 S133 R134 I135	L93-M131 HydrophobicContact CD2-CE 4.29Å; L93-M131 HydrophobicContact CD2-SD 3.52Å; L93-M131 VanDerWaalsContact CD2-SD 3.52Å; Q96-M131 HydrophobicContact CG-CE 4.37Å; F122-M131 HydrophobicContact CB-CE 4.14Å; F122-M131 HydrophobicContact CD1-CE 3.84Å; F122-M131 HydrophobicContact CD1-CG 4.16Å; F122-M131 HydrophobicContact CD1-SD 4.46Å; F122-M131 HydrophobicContact CD2-CE 3.99Å; F122-M131 HydrophobicContact CE1-CB 4.31Å; F122-M131 HydrophobicContact CE1-CE 4.22Å; F122-M131 HydrophobicContact CE1-CG 3.6Å; F122-M131 HydrophobicContact CE1-SD 4.47Å; F122-M131 HydrophobicContact CE2-CB 4.19Å; F122-M131 HydrophobicContact CE2-CE 4.35Å; F122-M131 HydrophobicContact CE2-CG 4.31Å; F122-M131 HydrophobicContact CG-CE 3.73Å; F122-M131 HydrophobicContact CZ-CB 3.87Å; F122-M131 HydrophobicContact CZ-CE 4.46Å; F122-M131 HydrophobicContact CZ-CG 3.69Å; N126-M131 HydrophobicContact CB-CE 4.48Å; N127-M131 PolarHBondContact O-N 3.32Å; N127-M131 VanDerWaalsContact O-N 3.11Å; G128-M131 PolarHBondContact O-N 3.48Å; A129-M131 VanDerWaalsContact C-N 3.35Å; M131-S133 PolarHBondContact O-N 2.99Å; M131-R134 PolarHBondContact O-N 3.45Å; M131-I135 HydrophobicContact CG-CD1 3.88Å; M131-I135 HydrophobicContact CG-CG1 4.36Å; M131-I135 VanDerWaalsContact O-CG1 3.29Å; M131-I135 WeakPolarHBondContact O-CG1 3.35Å; M131-I135 PolarHBondContact O-N 3.03Å; M131-I135 HydrophobicContact SD-CD1 4.46Å; M131-I135 HydrophobicContact SD-CG1 4.4Å
132	K	87.4	Confident	78.7	Confident	60 Å²	60	57.8 Å²	57.8	26%	0.261	31%	0.312	S	S	.	.	H	α-helix	trans	-52.6	-52.6	175	176.3	178.6	162.1	168.1	0	111	Y50 G128 A129 R134 I135 E136 I157	Y50-K132 HydrophobicContact CE1-CB 4.19Å; G128-K132 PolarHBondContact O-N 3.41Å; A129-K132 PolarHBondContact O-N 2.98Å; K132-R134 VanDerWaalsContact C-N 3.31Å; K132-R134 PolarHBondContact O-N 2.96Å; K132-I135 PolarHBondContact O-N 3.09Å; K132-E136 WeakPolarHBondContact CE-OE1 3.32Å; K132-E136 IonicContact NZ-OE1 3.92Å; K132-E136 WeakPolarHBondContact O-CG 3.4Å; K132-E136 PolarHBondContact O-N 3.46Å; K132-I157 WeakPolarHBondContact CE-O 3.37Å; K132-I157 HydrophobicContact CG-CB 4.29Å; K132-I157 HydrophobicContact CG-CG2 4.42Å; K132-I157 PolarHBondContact NZ-O 2.81Å
133	S	86.9	Confident	77.6	Confident	68 Å²	68	59 Å²	59	48%	0.476	32%	0.318	S	S	.	.	H	α-helix	trans	-63.4	-33.6	-180	-58.5	0	0	0	0	113.4	A129 S130 M131 S137	A129-S133 PolarHBondContact O-N 2.93Å; A129-S133 PolarHBondContact O-OG 3.01Å; S130-S133 PolarHBondContact O-N 3.46Å; M131-S133 PolarHBondContact O-N 2.99Å; S133-S137 VanDerWaalsContact O-CB 3.29Å; S133-S137 WeakPolarHBondContact O-CB 3.31Å; S133-S137 PolarHBondContact O-N 3.07Å
134	R	88.7	Confident	76.7	Confident	67 Å²	67	64.4 Å²	64.4	25%	0.253	35%	0.347	S	S	.	.	H	α-helix	trans	-67	-43.4	173.8	-74	173.1	64.2	-169.3	0.2	112	N92 L93 S130 M131 K132 S137 I138	N92-R134 PolarHBondContact O-NH2 3.38Å; N92-R134 PolarHBondContact OD1-NH2 2.85Å; L93-R134 VanDerWaalsContact CD2-NH2 3.32Å; S130-R134 VanDerWaalsContact O-CG 3.26Å; S130-R134 WeakPolarHBondContact O-CG 3.32Å; S130-R134 PolarHBondContact O-N 2.84Å; M131-R134 PolarHBondContact O-N 3.45Å; K132-R134 VanDerWaalsContact C-N 3.31Å; K132-R134 PolarHBondContact O-N 2.96Å; R134-S137 PolarHBondContact O-N 3.18Å; R134-I138 WeakPolarHBondContact O-CD1 3.33Å; R134-I138 WeakPolarHBondContact O-CG1 3.32Å; R134-I138 PolarHBondContact O-N 3.47Å
135	I	89.2	Confident	76.4	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-63.1	-46.3	176	-60.3	162.6	0	0	0	109.4	Y50 L93 F120 M131 K132 S137 I138 L139 I157	Y50-I135 HydrophobicContact CD1-CD1 4.31Å; Y50-I135 HydrophobicContact CD2-CD1 3.65Å; Y50-I135 HydrophobicContact CE1-CD1 4.27Å; Y50-I135 HydrophobicContact CE2-CD1 3.61Å; Y50-I135 HydrophobicContact CG-CD1 3.99Å; L93-I135 HydrophobicContact CD1-CB 4.34Å; L93-I135 HydrophobicContact CD1-CG1 3.63Å; F120-I135 HydrophobicContact CD1-CD1 4.35Å; F120-I135 HydrophobicContact CD2-CD1 3.87Å; F120-I135 HydrophobicContact CE1-CD1 4.13Å; F120-I135 HydrophobicContact CE1-CG1 3.98Å; F120-I135 HydrophobicContact CE2-CD1 3.6Å; F120-I135 HydrophobicContact CE2-CG1 4.14Å; F120-I135 HydrophobicContact CE2-CG2 4.32Å; F120-I135 HydrophobicContact CG-CD1 4.22Å; F120-I135 HydrophobicContact CZ-CD1 3.74Å; F120-I135 HydrophobicContact CZ-CG1 3.74Å; F120-I135 HydrophobicContact CZ-CG2 3.96Å; M131-I135 HydrophobicContact CG-CD1 3.88Å; M131-I135 HydrophobicContact CG-CG1 4.36Å; M131-I135 VanDerWaalsContact O-CG1 3.29Å; M131-I135 WeakPolarHBondContact O-CG1 3.35Å; M131-I135 PolarHBondContact O-N 3.03Å; M131-I135 HydrophobicContact SD-CD1 4.46Å; M131-I135 HydrophobicContact SD-CG1 4.4Å; K132-I135 PolarHBondContact O-N 3.09Å; I135-S137 PolarHBondContact O-N 2.58Å; I135-I138 PolarHBondContact O-N 3.4Å; I135-L139 HydrophobicContact CG2-CD1 3.8Å; I135-L139 HydrophobicContact CG2-CG 4.19Å; I135-L139 WeakPolarHBondContact O-CB 3.36Å; I135-L139 WeakPolarHBondContact O-CG 3.49Å; I135-L139 PolarHBondContact O-N 2.87Å; I135-I157 HydrophobicContact CB-CD1 3.86Å; I135-I157 HydrophobicContact CG2-CD1 3.4Å; I135-I157 VanDerWaalsContact CG2-CD1 3.4Å
136	E	88.3	Confident	76.4	Confident	40 Å²	40	55.4 Å²	55.4	19%	0.187	31%	0.314	C	S	.	.	H	α-helix	trans	-56.1	-48.6	176.1	-75.4	171.9	165.8	0	0	111.6	K132 I138 L139 Q140 I157	K132-E136 WeakPolarHBondContact CE-OE1 3.32Å; K132-E136 IonicContact NZ-OE1 3.92Å; K132-E136 WeakPolarHBondContact O-CG 3.4Å; K132-E136 PolarHBondContact O-N 3.46Å; E136-I138 PolarHBondContact O-N 3.27Å; E136-L139 PolarHBondContact O-N 3.3Å; E136-Q140 WeakPolarHBondContact O-CB 3.34Å; E136-Q140 WeakPolarHBondContact O-CG 3.34Å; E136-Q140 PolarHBondContact O-N 2.57Å; E136-I157 HydrophobicContact CB-CD1 4.21Å; E136-I157 HydrophobicContact CG-CB 3.86Å; E136-I157 HydrophobicContact CG-CD1 3.4Å; E136-I157 HydrophobicContact CG-CG1 3.51Å; E136-I157 PolarHBondContact OE1-N 3.44Å; E136-I157 VanDerWaalsContact OE1-N 3.16Å
137	S	86.8	Confident	76.4	Confident	65 Å²	65	55.5 Å²	55.5	46%	0.455	33%	0.329	S	S	.	.	H	α-helix	trans	-59.2	-43.1	178.5	-176.6	0	0	0	0	112.6	S133 R134 I135 Q140 Q141	S133-S137 VanDerWaalsContact O-CB 3.29Å; S133-S137 WeakPolarHBondContact O-CB 3.31Å; S133-S137 PolarHBondContact O-N 3.07Å; R134-S137 PolarHBondContact O-N 3.18Å; I135-S137 PolarHBondContact O-N 2.58Å; S137-Q140 PolarHBondContact O-N 3.22Å; S137-Q141 WeakPolarHBondContact O-CG 3.32Å; S137-Q141 PolarHBondContact O-N 3.28Å
138	I	87.9	Confident	76.1	Confident	11 Å²	11	56.6 Å²	56.6	6%	0.056	34%	0.335	C	S	.	.	H	α-helix	trans	-71.7	-41	179.3	-70	159.2	0	0	0	111.6	T87 L88 S91 L93 R134 I135 E136 Q140 Q141 M142	T87-I138 HydrophobicContact CG2-CG2 3.81Å; L88-I138 HydrophobicContact CD2-CG2 3.89Å; S91-I138 WeakPolarHBondContact OG-CD1 3.43Å; L93-I138 HydrophobicContact CB-CD1 4.22Å; L93-I138 HydrophobicContact CD1-CD1 3.4Å; L93-I138 HydrophobicContact CG-CD1 3.48Å; L93-I138 VanDerWaalsContact CG-CD1 3.48Å; R134-I138 WeakPolarHBondContact O-CD1 3.33Å; R134-I138 WeakPolarHBondContact O-CG1 3.32Å; R134-I138 PolarHBondContact O-N 3.47Å; I135-I138 PolarHBondContact O-N 3.4Å; E136-I138 PolarHBondContact O-N 3.27Å; I138-Q140 VanDerWaalsContact C-N 3.29Å; I138-Q140 PolarHBondContact O-N 3.03Å; I138-Q141 WeakPolarHBondContact O-CB 3.17Å; I138-Q141 PolarHBondContact O-N 3.46Å; I138-M142 PolarHBondContact O-N 2.77Å
139	L	84.8	Confident	76.1	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-67.6	-31.4	176.2	-69.5	178.7	0	0	0	111.9	F54 I84 M118 I135 E136 M142 I157	F54-L139 HydrophobicContact CE1-CD1 4.44Å; F54-L139 HydrophobicContact CZ-CD1 4.01Å; F54-L139 HydrophobicContact CZ-CD2 4.28Å; I84-L139 HydrophobicContact CG2-CD2 4.37Å; M118-L139 HydrophobicContact CE-CD1 3.95Å; M118-L139 HydrophobicContact SD-CD1 4.13Å; I135-L139 HydrophobicContact CG2-CD1 3.8Å; I135-L139 HydrophobicContact CG2-CG 4.19Å; I135-L139 WeakPolarHBondContact O-CB 3.36Å; I135-L139 WeakPolarHBondContact O-CG 3.49Å; I135-L139 PolarHBondContact O-N 2.87Å; E136-L139 PolarHBondContact O-N 3.3Å; L139-M142 HydrophobicContact CD2-CE 4.31Å; L139-M142 HydrophobicContact CD2-SD 4.32Å; L139-M142 WeakPolarHBondContact O-CB 3.34Å; L139-M142 PolarHBondContact O-N 3.28Å; L139-I157 HydrophobicContact CD1-CD1 3.7Å
140	Q	79.6	Confident	75.8	Confident	79 Å²	79	58.3 Å²	58.3	37%	0.369	32%	0.324	S	S	.	.	H	α-helix	trans	-65.6	-40.9	170.1	-78.1	-82.4	-12.5	0	0	111.9	E136 S137 I138 M142 L143 S153 T155	E136-Q140 WeakPolarHBondContact O-CB 3.34Å; E136-Q140 WeakPolarHBondContact O-CG 3.34Å; E136-Q140 PolarHBondContact O-N 2.57Å; S137-Q140 PolarHBondContact O-N 3.22Å; I138-Q140 VanDerWaalsContact C-N 3.29Å; I138-Q140 PolarHBondContact O-N 3.03Å; Q140-M142 PolarHBondContact O-N 3.32Å; Q140-L143 HydrophobicContact CG-CD1 4.46Å; Q140-L143 VanDerWaalsContact O-CB 3.27Å; Q140-L143 WeakPolarHBondContact O-CB 3.26Å; Q140-L143 PolarHBondContact O-N 2.74Å; Q140-L143 VanDerWaalsContact O-N 3.09Å; Q140-S153 PolarHBondContact NE2-OG 2.89Å; Q140-T155 PolarHBondContact NE2-OG1 3.16Å
141	Q	75	Confident	75.2	Confident	114 Å²	114	56 Å²	56	53%	0.533	31%	0.306	S	S	.	.	H	α-helix	trans	-62.8	-31.4	173.7	-73.1	175.2	-10.5	0	0	112.6	S137 I138 L143 N144	S137-Q141 WeakPolarHBondContact O-CG 3.32Å; S137-Q141 PolarHBondContact O-N 3.28Å; I138-Q141 WeakPolarHBondContact O-CB 3.17Å; I138-Q141 PolarHBondContact O-N 3.46Å; Q141-L143 PolarHBondContact O-N 2.77Å; Q141-N144 PolarHBondContact O-N 3.41Å
142	M	71.7	Confident	74.2	Confident	5 Å²	5	59.8 Å²	59.8	3%	0.025	33%	0.327	C	S	.	.	H	α-helix	trans	-57.3	-37.5	172.8	-166.3	178.6	69.5	0	0	111.9	F54 L83 I84 T87 I138 L139 Q140 N144 N145 S146 I151	F54-M142 HydrophobicContact CD1-CE 4.4Å; F54-M142 HydrophobicContact CE1-CE 3.96Å; F54-M142 HydrophobicContact CZ-CE 4.44Å; L83-M142 HydrophobicContact CD1-CG 4.28Å; L83-M142 HydrophobicContact CD2-CE 4.48Å; L83-M142 HydrophobicContact CD2-CG 4.2Å; L83-M142 HydrophobicContact CD2-SD 4.09Å; L83-M142 HydrophobicContact CG-CG 3.98Å; L83-M142 HydrophobicContact CG-SD 3.74Å; I84-M142 HydrophobicContact CG1-CE 4.11Å; I84-M142 HydrophobicContact CG1-SD 3.9Å; T87-M142 HydrophobicContact CG2-CB 3.81Å; T87-M142 HydrophobicContact CG2-CG 4.05Å; T87-M142 HydrophobicContact CG2-SD 4.46Å; T87-M142 WeakPolarHBondContact OG1-CG 3.45Å; I138-M142 PolarHBondContact O-N 2.77Å; L139-M142 HydrophobicContact CD2-CE 4.31Å; L139-M142 HydrophobicContact CD2-SD 4.32Å; L139-M142 WeakPolarHBondContact O-CB 3.34Å; L139-M142 PolarHBondContact O-N 3.28Å; Q140-M142 PolarHBondContact O-N 3.32Å; M142-N144 PolarHBondContact O-N 3.36Å; M142-N145 CarbonylContact O-C 3.37Å; M142-N145 PolarHBondContact O-N 2.91Å; M142-S146 WeakPolarHBondContact O-CA 3.26Å; M142-S146 WeakPolarHBondContact O-CB 3.35Å; M142-S146 PolarHBondContact O-N 2.86Å; M142-S146 PolarHBondContact O-OG 2.91Å; M142-I151 HydrophobicContact CE-CD1 4.02Å
143	L	64.8	Low	72.8	Confident	28 Å²	28	58.2 Å²	58.2	15%	0.147	32%	0.324	C	S	.	.	H	α-helix	trans	-64.7	-26.8	-179	-53.6	166.2	0	0	0	112.8	Q140 Q141 S146 I151	Q140-L143 HydrophobicContact CG-CD1 4.46Å; Q140-L143 VanDerWaalsContact O-CB 3.27Å; Q140-L143 WeakPolarHBondContact O-CB 3.26Å; Q140-L143 PolarHBondContact O-N 2.74Å; Q140-L143 VanDerWaalsContact O-N 3.09Å; Q141-L143 PolarHBondContact O-N 2.77Å; L143-S146 PolarHBondContact O-OG 2.83Å; L143-I151 HydrophobicContact CD2-CB 3.51Å; L143-I151 HydrophobicContact CD2-CG2 3.38Å; L143-I151 WeakPolarHBondContact CD2-O 3.3Å
144	N	59.8	Low	71.2	Confident	133 Å²	133	60 Å²	60	71%	0.711	34%	0.336	S	S	*	.	H	α-helix	trans	-88.2	-14.5	-179	-64.4	-23.3	0	0	0	112.7	Q141 M142	Q141-N144 PolarHBondContact O-N 3.41Å; M142-N144 PolarHBondContact O-N 3.36Å
145	N	60.1	Low	69.9	Low	138 Å²	138	57.5 Å²	57.5	74%	0.738	33%	0.328	S	S	*	.	H	α-helix	trans	-127.9	12.6	-173.9	-75.2	-22.8	0	0	0	113.2	M142 G147	M142-N145 CarbonylContact O-C 3.37Å; M142-N145 PolarHBondContact O-N 2.91Å; N145-G147 PolarHBondContact O-N 2.92Å
146	S	60.4	Low	69.1	Low	15 Å²	15	64.5 Å²	64.5	11%	0.105	36%	0.361	C	S	.	.			trans	-72.9	1.4	-167.2	37.6	0	0	0	0	115.7	M142 L143 N148 L149	M142-S146 WeakPolarHBondContact O-CA 3.26Å; M142-S146 WeakPolarHBondContact O-CB 3.35Å; M142-S146 PolarHBondContact O-N 2.86Å; M142-S146 PolarHBondContact O-OG 2.91Å; L143-S146 PolarHBondContact O-OG 2.83Å; S146-N148 PolarHBondContact O-N 3.11Å; S146-L149 VanDerWaalsContact CB-O 3.23Å; S146-L149 WeakPolarHBondContact CB-O 3.29Å; S146-L149 PolarHBondContact OG-O 3.07Å
147	G	62.3	Low	69	Low	65 Å²	65	62.6 Å²	62.6	67%	0.67	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	-127.5	-178.6	0	0	0	0	0	111.2	N145 L149	N145-G147 PolarHBondContact O-N 2.92Å; G147-L149 PolarHBondContact O-N 2.83Å; G147-L149 VanDerWaalsContact O-N 3.13Å
148	N	60.7	Low	69.1	Low	140 Å²	140	63 Å²	63	75%	0.749	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	12	-174.8	-70.5	0.8	0	0	0	116	N58 S146	N58-N148 PolarHBondContact ND2-O 3.21Å; S146-N148 PolarHBondContact O-N 3.11Å
149	L	64.8	Low	69.2	Low	8 Å²	8	66.3 Å²	66.3	4%	0.042	38%	0.376	C	S	.	.			trans	-121.3	111.1	173.8	-80.8	163.3	0	0	0	108.6	V59 L76 R79 L83 S146 G147 I151	V59-L149 HydrophobicContact CG2-CD2 3.89Å; L76-L149 HydrophobicContact CD1-CD2 4.45Å; R79-L149 HydrophobicContact CB-CD1 4.34Å; L83-L149 HydrophobicContact CD2-CD1 4.49Å; S146-L149 VanDerWaalsContact CB-O 3.23Å; S146-L149 WeakPolarHBondContact CB-O 3.29Å; S146-L149 PolarHBondContact OG-O 3.07Å; G147-L149 PolarHBondContact O-N 2.83Å; G147-L149 VanDerWaalsContact O-N 3.13Å; L149-I151 HydrophobicContact CB-CD1 4.49Å; L149-I151 HydrophobicContact CB-CG1 4.31Å; L149-I151 PolarHBondContact O-N 3.44Å
150	E	65.5	Low	69.6	Low	122 Å²	122	67.7 Å²	67.7	57%	0.57	38%	0.383	S	S	*	.			trans	-85	110.1	174.1	-69.4	-175.3	-177.5	0	0	108.2	L57 N58	L57-E150 HydrophobicContact CB-CB 4.18Å; L57-E150 PolarHBondContact N-O 2.97Å; N58-E150 HydrophobicContact CB-CB 4.1Å; N58-E150 HydrophobicContact CB-CG 4.36Å; N58-E150 VanDerWaalsContact CG-N 3.34Å; N58-E150 PolarHBondContact ND2-N 2.94Å; N58-E150 PolarHBondContact OD1-N 2.98Å; N58-E150 VanDerWaalsContact OD1-N 3.13Å
151	I	69.2	Low	70.2	Confident	16 Å²	16	68.5 Å²	68.5	8%	0.082	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	120.6	-175.8	-56.2	175	0	0	0	107.5	F54 Q55 L56 L83 M142 L143 L149	F54-I151 HydrophobicContact CB-CG2 3.85Å; F54-I151 HydrophobicContact CD1-CG2 3.9Å; F54-I151 HydrophobicContact CG-CG2 4.32Å; Q55-I151 CarbonylContact O-C 3.59Å; Q55-I151 VanDerWaalsContact O-CA 3.28Å; Q55-I151 WeakPolarHBondContact O-CA 3.12Å; L56-I151 HydrophobicContact CD2-CD1 4.26Å; L56-I151 HydrophobicContact CD2-CG1 3.76Å; L83-I151 HydrophobicContact CD2-CD1 3.87Å; M142-I151 HydrophobicContact CE-CD1 4.02Å; L143-I151 HydrophobicContact CD2-CB 3.51Å; L143-I151 HydrophobicContact CD2-CG2 3.38Å; L143-I151 WeakPolarHBondContact CD2-O 3.3Å; L149-I151 HydrophobicContact CB-CD1 4.49Å; L149-I151 HydrophobicContact CB-CG1 4.31Å; L149-I151 PolarHBondContact O-N 3.44Å
152	N	65.2	Low	70.8	Confident	81 Å²	81	67.4 Å²	67.4	43%	0.433	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	140.6	169.8	-163.1	5.2	0	0	0	109.6	Q55 L57	Q55-N152 HydrophobicContact CB-CB 4.36Å; Q55-N152 PolarHBondContact N-O 2.81Å; Q55-N152 PolarHBondContact O-N 2.88Å; L57-N152 HydrophobicContact CD1-CB 3.82Å; L57-N152 HydrophobicContact CD2-CB 3.91Å; L57-N152 HydrophobicContact CG-CB 3.83Å
153	S	56.6	Low	71.6	Confident	28 Å²	28	72.4 Å²	72.4	20%	0.196	41%	0.414	C	S	.	.			trans	-117.6	115.4	-174.8	148.5	0	0	0	0	110.8	Q140 T155	Q140-S153 PolarHBondContact NE2-OG 2.89Å; S153-T155 VanDerWaalsContact CB-CG2 3.48Å; S153-T155 WeakPolarHBondContact OG-CB 3.48Å; S153-T155 WeakPolarHBondContact OG-CG2 3.29Å; S153-T155 PolarHBondContact OG-N 2.85Å; S153-T155 PolarHBondContact OG-OG1 3.46Å
154	S	54.8	Low	72.9	Confident	105 Å²	105	72.5 Å²	72.5	73%	0.734	42%	0.419	S	S	*	.			trans	-97	68.7	131.4	63.3	0	0	0	0	108	E156	S154-E156 PolarHBondContact O-N 3.03Å
155	T	61.4	Low	74.4	Confident	14 Å²	14	66.1 Å²	66.1	9%	0.086	39%	0.385	C	S	.	.			trans	-72.8	65.1	-178.1	54.7	0	0	0	0	110.9	F54 Q140 S153 I157	F54-T155 HydrophobicContact CE1-CG2 4.31Å; Q140-T155 PolarHBondContact NE2-OG1 3.16Å; S153-T155 VanDerWaalsContact CB-CG2 3.48Å; S153-T155 WeakPolarHBondContact OG-CB 3.48Å; S153-T155 WeakPolarHBondContact OG-CG2 3.29Å; S153-T155 PolarHBondContact OG-N 2.85Å; S153-T155 PolarHBondContact OG-OG1 3.46Å; T155-I157 PolarHBondContact O-N 2.89Å
156	E	71.2	Confident	75.8	Confident	148 Å²	148	59.6 Å²	59.6	69%	0.692	35%	0.351	S	S	*	.			trans	-77.2	110.6	161.1	-161	175.2	-176.4	0	0	107.1	S154	S154-E156 PolarHBondContact O-N 3.03Å
157	I	85.7	Confident	77.3	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	36%	0.364	C	S	.	.			trans	-83.1	131.6	174.1	-65.2	-176.5	0	0	0	108.6	Y50 R51 K132 I135 E136 L139 T155	Y50-I157 HydrophobicContact CD1-CG2 3.65Å; Y50-I157 HydrophobicContact CG-CG2 4.07Å; R51-I157 WeakPolarHBondContact O-CA 3.3Å; K132-I157 WeakPolarHBondContact CE-O 3.37Å; K132-I157 HydrophobicContact CG-CB 4.29Å; K132-I157 HydrophobicContact CG-CG2 4.42Å; K132-I157 PolarHBondContact NZ-O 2.81Å; I135-I157 HydrophobicContact CB-CD1 3.86Å; I135-I157 HydrophobicContact CG2-CD1 3.4Å; I135-I157 VanDerWaalsContact CG2-CD1 3.4Å; E136-I157 HydrophobicContact CB-CD1 4.21Å; E136-I157 HydrophobicContact CG-CB 3.86Å; E136-I157 HydrophobicContact CG-CD1 3.4Å; E136-I157 HydrophobicContact CG-CG1 3.51Å; E136-I157 PolarHBondContact OE1-N 3.44Å; E136-I157 VanDerWaalsContact OE1-N 3.16Å; L139-I157 HydrophobicContact CD1-CD1 3.7Å; T155-I157 PolarHBondContact O-N 2.89Å
158	T	89.9	Confident	78.7	Confident	72 Å²	72	62.9 Å²	62.9	44%	0.442	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	125.2	174.5	-43.8	0	0	0	0	109.8	Y50 R51	Y50-T158 CarbonylContact C-O 3.52Å; Y50-T158 WeakPolarHBondContact CA-O 3.3Å; R51-T158 PolarHBondContact N-O 3.33Å; R51-T158 PolarHBondContact O-N 3.01Å
159	S	90.8	Very high	80.1	Confident	81 Å²	81	56.2 Å²	56.2	57%	0.566	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.8	133.7	168	56.7	0	0	0	0	109.7
160	L	91.5	Very high	81.4	Confident	29 Å²	29	55.9 Å²	55.9	15%	0.152	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	146.6	177.9	-62.2	-177.1	0	0	0	110.8	F49 R51 V117 A164 A165	F49-L160 HydrophobicContact CB-CB 3.94Å; F49-L160 PolarHBondContact O-N 3.09Å; R51-L160 HydrophobicContact CB-CD1 3.85Å; R51-L160 HydrophobicContact CB-CD2 4.33Å; R51-L160 HydrophobicContact CB-CG 4.1Å; V117-L160 HydrophobicContact CG1-CD1 4.39Å; V117-L160 HydrophobicContact CG2-CD1 4.32Å; L160-A164 HydrophobicContact CB-CB 4.35Å; L160-A164 HydrophobicContact CD2-CB 4.29Å; L160-A165 HydrophobicContact CB-CB 4.25Å; L160-A165 HydrophobicContact CD1-CB 4.12Å
161	T	92.1	Very high	82.6	Confident	96 Å²	96	55.6 Å²	55.6	59%	0.589	31%	0.311	S	S	*	.			trans	-72.5	158	161.8	65.1	0	0	0	0	109.6	Q163 A164 A165	T161-Q163 PolarHBondContact O-N 2.9Å; T161-A164 PolarHBondContact O-N 2.95Å; T161-A164 WeakPolarHBondContact OG1-CB 3.48Å; T161-A164 PolarHBondContact OG1-N 3.05Å; T161-A164 VanDerWaalsContact OG1-N 3.14Å; T161-A165 PolarHBondContact O-N 2.82Å
162	D	87.8	Confident	83.5	Confident	91 Å²	91	55.3 Å²	55.3	49%	0.487	31%	0.309	S	S	.	.	H	α-helix	trans	-56.8	-34.2	176.7	-64.1	-22	0	0	0	112.3	F49 A166	F49-D162 WeakPolarHBondContact CD2-OD1 3.47Å; F49-D162 VanDerWaalsContact CE2-OD1 3.29Å; F49-D162 WeakPolarHBondContact CE2-OD1 3.24Å; D162-A166 VanDerWaalsContact O-CB 3.26Å; D162-A166 WeakPolarHBondContact O-CB 3.12Å; D162-A166 PolarHBondContact O-N 2.83Å
163	Q	89.2	Confident	84.9	Confident	110 Å²	110	52.7 Å²	52.7	51%	0.514	30%	0.297	S	S	.	.	H	α-helix	trans	-70.6	-43.6	176.2	-170.8	64.1	25.6	0	0	111.7	T161 A166 N167	T161-Q163 PolarHBondContact O-N 2.9Å; Q163-A166 PolarHBondContact O-N 2.83Å; Q163-N167 PolarHBondContact NE2-OD1 2.88Å; Q163-N167 WeakPolarHBondContact O-CB 3.23Å; Q163-N167 PolarHBondContact O-N 3.26Å; Q163-N167 PolarHBondContact O-OD1 2.84Å
164	A	91.8	Very high	86.7	Confident	30 Å²	30	51.4 Å²	51.4	25%	0.248	29%	0.288	C	S	.	.	H	α-helix	trans	-64.4	-43.1	178.4	0	0	0	0	0	111.3	L160 T161 N167 W168	L160-A164 HydrophobicContact CB-CB 4.35Å; L160-A164 HydrophobicContact CD2-CB 4.29Å; T161-A164 PolarHBondContact O-N 2.95Å; T161-A164 WeakPolarHBondContact OG1-CB 3.48Å; T161-A164 PolarHBondContact OG1-N 3.05Å; T161-A164 VanDerWaalsContact OG1-N 3.14Å; A164-N167 PolarHBondContact O-N 3.13Å; A164-W168 PolarHBondContact O-N 2.67Å; A164-W168 VanDerWaalsContact O-N 3.15Å
165	A	91.1	Very high	88.6	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.8	-45.8	175.3	0	0	0	0	0	111.9	F49 V117 L160 T161 N167 W168 L169	F49-A165 HydrophobicContact CB-CB 3.71Å; F49-A165 HydrophobicContact CD1-CB 3.64Å; F49-A165 HydrophobicContact CD2-CB 3.98Å; F49-A165 HydrophobicContact CE1-CB 4.19Å; F49-A165 HydrophobicContact CG-CB 3.5Å; V117-A165 HydrophobicContact CG1-CB 4.39Å; L160-A165 HydrophobicContact CB-CB 4.25Å; L160-A165 HydrophobicContact CD1-CB 4.12Å; T161-A165 PolarHBondContact O-N 2.82Å; A165-N167 VanDerWaalsContact C-N 3.33Å; A165-N167 PolarHBondContact O-N 3.19Å; A165-W168 PolarHBondContact O-N 3.15Å; A165-L169 PolarHBondContact O-N 3.32Å
166	A	90.5	Very high	90	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.008	25%	0.25	C	S	.	.	H	α-helix	trans	-59.5	-43.2	175.2	0	0	0	0	0	111.7	D162 Q163 W168 L169 I170 I180	D162-A166 VanDerWaalsContact O-CB 3.26Å; D162-A166 WeakPolarHBondContact O-CB 3.12Å; D162-A166 PolarHBondContact O-N 2.83Å; Q163-A166 PolarHBondContact O-N 2.83Å; A166-W168 VanDerWaalsContact C-N 3.3Å; A166-W168 PolarHBondContact O-N 3.24Å; A166-L169 PolarHBondContact O-N 2.98Å; A166-L169 VanDerWaalsContact O-N 3.1Å; A166-I170 HydrophobicContact CB-CD1 4Å; A166-I170 WeakPolarHBondContact O-CB 3.26Å; A166-I170 VanDerWaalsContact O-CD1 3.3Å; A166-I170 WeakPolarHBondContact O-CD1 3.48Å; A166-I170 WeakPolarHBondContact O-CG1 3.37Å; A166-I170 PolarHBondContact O-N 2.76Å; A166-I180 HydrophobicContact CB-CG2 3.98Å
167	N	91.9	Very high	90.7	Very high	71 Å²	71	41.2 Å²	41.2	38%	0.38	23%	0.233	S	C	.	.	H	α-helix	trans	-61.5	-35.6	178	-70.5	-9.5	0	0	0	112.7	Q163 A164 A165 L169 N171	Q163-N167 PolarHBondContact NE2-OD1 2.88Å; Q163-N167 WeakPolarHBondContact O-CB 3.23Å; Q163-N167 PolarHBondContact O-N 3.26Å; Q163-N167 PolarHBondContact O-OD1 2.84Å; A164-N167 PolarHBondContact O-N 3.13Å; A165-N167 VanDerWaalsContact C-N 3.33Å; A165-N167 PolarHBondContact O-N 3.19Å; N167-L169 VanDerWaalsContact C-N 3.35Å; N167-N171 WeakPolarHBondContact O-CB 3.46Å; N167-N171 PolarHBondContact O-N 3.1Å; N167-N171 PolarHBondContact O-ND2 2.83Å
168	W	91.1	Very high	90.6	Very high	77 Å²	77	42.7 Å²	42.7	29%	0.292	24%	0.241	S	C	.	.	H	α-helix	trans	-63	-42.7	173.4	-83.6	101.9	0	0	0	111.8	R51 V103 V117 A164 A165 A166	R51-W168 VanDerWaalsContact CZ-CH2 3.48Å; V103-W168 HydrophobicContact CB-CE3 4.44Å; V103-W168 HydrophobicContact CG1-CB 4.35Å; V103-W168 HydrophobicContact CG2-CD2 4.41Å; V103-W168 HydrophobicContact CG2-CE3 3.72Å; V103-W168 HydrophobicContact CG2-CZ3 4.35Å; V117-W168 HydrophobicContact CG2-CB 4.09Å; V117-W168 HydrophobicContact CG2-CG 4.39Å; A164-W168 PolarHBondContact O-N 2.67Å; A164-W168 VanDerWaalsContact O-N 3.15Å; A165-W168 PolarHBondContact O-N 3.15Å; A166-W168 VanDerWaalsContact C-N 3.3Å; A166-W168 PolarHBondContact O-N 3.24Å
169	L	91.2	Very high	90.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-76.9	-37.9	-176.5	-65.6	158	0	0	0	112.5	H101 V103 A165 A166 N167 N171 E172 A175 L179 I180 L182	H101-L169 HydrophobicContact CB-CD2 4.49Å; V103-L169 HydrophobicContact CG1-CD2 3.73Å; V103-L169 HydrophobicContact CG1-CG 4.3Å; A165-L169 PolarHBondContact O-N 3.32Å; A166-L169 PolarHBondContact O-N 2.98Å; A166-L169 VanDerWaalsContact O-N 3.1Å; N167-L169 VanDerWaalsContact C-N 3.35Å; L169-N171 VanDerWaalsContact C-N 3.32Å; L169-N171 PolarHBondContact O-N 3.23Å; L169-E172 WeakPolarHBondContact O-CB 3.34Å; L169-E172 PolarHBondContact O-N 2.88Å; L169-E172 VanDerWaalsContact O-N 3.16Å; L169-A175 WeakPolarHBondContact O-CB 3.4Å; L169-L179 HydrophobicContact CD2-CD1 4.34Å; L169-L179 HydrophobicContact CD2-CG 4.2Å; L169-I180 WeakPolarHBondContact CD1-O 3.11Å; L169-L182 HydrophobicContact CD1-CG 4.22Å; L169-L182 HydrophobicContact CD2-CD2 4.4Å
170	I	91.8	Very high	90.2	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-68.9	-30.2	-179.9	-70.6	160.6	0	0	0	112.3	A166 E172 I180 F284 T285 R286 H289	A166-I170 HydrophobicContact CB-CD1 4Å; A166-I170 WeakPolarHBondContact O-CB 3.26Å; A166-I170 VanDerWaalsContact O-CD1 3.3Å; A166-I170 WeakPolarHBondContact O-CD1 3.48Å; A166-I170 WeakPolarHBondContact O-CG1 3.37Å; A166-I170 PolarHBondContact O-N 2.76Å; I170-E172 PolarHBondContact O-N 3.42Å; I170-I180 HydrophobicContact CG1-CD1 3.96Å; I170-I180 HydrophobicContact CG1-CG1 4.22Å; I170-F284 HydrophobicContact CG2-CB 3.66Å; I170-T285 WeakPolarHBondContact CG2-O 3.49Å; I170-R286 HydrophobicContact CD1-CB 4.37Å; I170-R286 HydrophobicContact CD1-CG 3.64Å; I170-H289 HydrophobicContact CG2-CB 3.84Å
171	N	89.7	Confident	89.8	Confident	116 Å²	116	37.3 Å²	37.3	62%	0.62	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-12.6	175.9	-76	-42.1	0	0	0	112.5	N167 L169	N167-N171 WeakPolarHBondContact O-CB 3.46Å; N167-N171 PolarHBondContact O-N 3.1Å; N167-N171 PolarHBondContact O-ND2 2.83Å; L169-N171 VanDerWaalsContact C-N 3.32Å; L169-N171 PolarHBondContact O-N 3.23Å
172	E	88.9	Confident	89.3	Confident	10 Å²	10	32.8 Å²	32.8	5%	0.047	18%	0.177	C	C	.	.	S	Bend	trans	-81	138.9	164.8	-164.2	172.1	-166	0	0	109.3	H101 L169 I170 L380	H101-E172 IonicContact CD2-OE2 3.83Å; H101-E172 IonicContact CE1-OE2 3.52Å; H101-E172 IonicContact NE2-OE1 3.23Å; H101-E172 IonicContact NE2-OE2 3.6Å; H101-E172 PolarHBondContact NE2-OE2 2.92Å; L169-E172 WeakPolarHBondContact O-CB 3.34Å; L169-E172 PolarHBondContact O-N 2.88Å; L169-E172 VanDerWaalsContact O-N 3.16Å; I170-E172 PolarHBondContact O-N 3.42Å; E172-L380 HydrophobicContact CG-CD2 3.97Å; E172-L380 VanDerWaalsContact OE1-CD1 3.26Å; E172-L380 WeakPolarHBondContact OE1-CD1 3.26Å
173	C	93.8	Very high	88.9	Confident	26 Å²	26	29.8 Å²	29.8	18%	0.176	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	154.9	175.2	61.9	0	0	0	0	110.8	A175 S290 C292 L380	C173-A175 PolarHBondContact O-N 3.06Å; C173-A175 VanDerWaalsContact O-N 3.16Å; C173-S290 CarbonylContact C-O 3.35Å; C173-S290 WeakPolarHBondContact CA-O 3.32Å; C173-C292 HydrophobicContact CB-CB 3.91Å; C173-C292 WeakPolarHBondContact CB-SG 3.39Å; C173-C292 PolarHBondContact O-SG 3.18Å; C173-C292 WeakPolarHBondContact SG-CA 3.45Å; C173-C292 WeakPolarHBondContact SG-CB 3.26Å; C173-C292 CovalentContact SG-SG 2.04Å; C173-C292 PolarHBondContact SG-SG 3.41Å; C173-L380 VanDerWaalsContact O-CD2 3.26Å; C173-L380 WeakPolarHBondContact O-CD2 3.34Å
174	G	95.2	Very high	88	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	13.6	168.8	0	0	0	0	0	115.6	G176 S290 W381	G174-G176 PolarHBondContact O-N 3.19Å; G174-S290 PolarHBondContact N-O 3.26Å; G174-W381 WeakPolarHBondContact CA-O 3.19Å; G174-W381 VanDerWaalsContact O-CD1 3.29Å; G174-W381 PolarHBondContact O-N 2.82Å
175	A	94.1	Very high	86.5	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-72.8	109.3	179.6	0	0	0	0	0	112.8	L169 C173 L179 I180 H289	L169-A175 WeakPolarHBondContact O-CB 3.4Å; C173-A175 PolarHBondContact O-N 3.06Å; C173-A175 VanDerWaalsContact O-N 3.16Å; A175-L179 HydrophobicContact CB-CD2 3.93Å; A175-I180 HydrophobicContact CB-CG1 4.21Å; A175-H289 PolarHBondContact O-CE1 3.2Å; A175-H289 PolarHBondContact O-NE2 3.3Å; A175-H289 VanDerWaalsContact O-NE2 3.09Å
176	G	90.3	Very high	84.9	Confident	3 Å²	3	42 Å²	42	3%	0.031	21%	0.21	C	C	.	.			trans	-76.2	171.4	172.5	0	0	0	0	0	113.1	G174 D178 L179 I180	G174-G176 PolarHBondContact O-N 3.19Å; G176-D178 VanDerWaalsContact C-N 3.27Å; G176-D178 PolarHBondContact O-N 3.27Å; G176-L179 PolarHBondContact O-N 2.92Å; G176-I180 WeakPolarHBondContact O-CG1 3.39Å; G176-I180 PolarHBondContact O-N 3.25Å
177	P	85.7	Confident	83.1	Confident	50 Å²	50	47.5 Å²	47.5	33%	0.325	24%	0.238	S	C	.	.	H	α-helix	trans	-52.6	-41	175.4	-26.9	33.1	0	0	0	114.1	L179 I180 T181 G196	P177-L179 VanDerWaalsContact C-N 3.28Å; P177-L179 PolarHBondContact O-N 3.37Å; P177-I180 PolarHBondContact O-N 3.38Å; P177-T181 WeakPolarHBondContact O-CG2 3.29Å; P177-T181 PolarHBondContact O-N 3.01Å; P177-T181 PolarHBondContact O-OG1 2.74Å; P177-G196 VanDerWaalsContact CG-O 3.29Å; P177-G196 WeakPolarHBondContact CG-O 3.06Å
178	D	84.9	Confident	81.1	Confident	31 Å²	31	49.2 Å²	49.2	17%	0.166	25%	0.246	C	C	.	.	H	α-helix	trans	-61.7	-38	178.5	-67.1	-11.3	0	0	0	111.5	G176 T181 L182 S183 Q185 R186	G176-D178 VanDerWaalsContact C-N 3.27Å; G176-D178 PolarHBondContact O-N 3.27Å; D178-T181 PolarHBondContact O-OG1 2.96Å; D178-L182 CarbonylContact O-C 3.57Å; D178-L182 WeakPolarHBondContact O-CA 3.35Å; D178-L182 PolarHBondContact O-N 2.54Å; D178-S183 PolarHBondContact O-N 3.32Å; D178-Q185 VanDerWaalsContact CG-O 3.26Å; D178-R186 WeakPolarHBondContact OD2-CA 3.49Å
179	L	86.9	Confident	78.9	Confident	1 Å²	1	47 Å²	47	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-73.6	-45.8	178.2	-177.3	61.7	0	0	0	111.1	H101 L169 A175 G176 P177 T181 L182 R379 L380	H101-L179 HydrophobicContact CB-CD1 4.31Å; H101-L179 WeakPolarHBondContact ND1-CD1 3.41Å; L169-L179 HydrophobicContact CD2-CD1 4.34Å; L169-L179 HydrophobicContact CD2-CG 4.2Å; A175-L179 HydrophobicContact CB-CD2 3.93Å; G176-L179 PolarHBondContact O-N 2.92Å; P177-L179 VanDerWaalsContact C-N 3.28Å; P177-L179 PolarHBondContact O-N 3.37Å; L179-T181 PolarHBondContact O-N 3.02Å; L179-L182 HydrophobicContact CD1-CD2 3.99Å; L179-L182 WeakPolarHBondContact O-CD2 3.49Å; L179-L182 PolarHBondContact O-N 2.95Å; L179-R379 HydrophobicContact CB-CB 4.35Å; L179-R379 HydrophobicContact CD1-CB 4.41Å; L179-L380 HydrophobicContact CD2-CD2 3.38Å; L179-L380 HydrophobicContact CD2-CG 4.11Å
180	I	85.4	Confident	77.2	Confident	9 Å²	9	49.3 Å²	49.3	5%	0.046	27%	0.271	C	S	.	.	H	α-helix	trans	-57.6	-38	178.7	-65.8	169.6	0	0	0	111.2	A166 L169 I170 A175 G176 P177 R286	A166-I180 HydrophobicContact CB-CG2 3.98Å; L169-I180 WeakPolarHBondContact CD1-O 3.11Å; I170-I180 HydrophobicContact CG1-CD1 3.96Å; I170-I180 HydrophobicContact CG1-CG1 4.22Å; A175-I180 HydrophobicContact CB-CG1 4.21Å; G176-I180 WeakPolarHBondContact O-CG1 3.39Å; G176-I180 PolarHBondContact O-N 3.25Å; P177-I180 PolarHBondContact O-N 3.38Å; I180-R286 HydrophobicContact CG2-CG 4.38Å
181	T	83.1	Confident	76.5	Confident	60 Å²	60	53.5 Å²	53.5	37%	0.368	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-6.3	178.2	61.1	0	0	0	0	113.2	K119 P177 D178 L179 S183	K119-T181 WeakPolarHBondContact CD-O 3.34Å; K119-T181 WeakPolarHBondContact CE-O 3.42Å; K119-T181 PolarHBondContact NZ-O 2.88Å; P177-T181 WeakPolarHBondContact O-CG2 3.29Å; P177-T181 PolarHBondContact O-N 3.01Å; P177-T181 PolarHBondContact O-OG1 2.74Å; D178-T181 PolarHBondContact O-OG1 2.96Å; L179-T181 PolarHBondContact O-N 3.02Å; T181-S183 PolarHBondContact O-N 3.38Å; T181-S183 WeakPolarHBondContact OG1-CB 3.42Å
182	L	81.1	Confident	76.3	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	45.8	46.6	-169	-65	179.5	0	0	0	111.7	F49 R99 H101 V117 K119 L169 D178 L179	F49-L182 HydrophobicContact CD1-CD1 4.13Å; F49-L182 HydrophobicContact CE1-CB 4.32Å; F49-L182 HydrophobicContact CE1-CD1 3.91Å; F49-L182 HydrophobicContact CE1-CG 4.23Å; R99-L182 HydrophobicContact CB-CB 4.27Å; R99-L182 HydrophobicContact CG-CD2 4.27Å; H101-L182 HydrophobicContact CB-CD2 3.79Å; V117-L182 HydrophobicContact CG1-CD1 4Å; K119-L182 HydrophobicContact CB-CB 3.84Å; K119-L182 HydrophobicContact CB-CD1 3.84Å; K119-L182 HydrophobicContact CB-CG 4.49Å; K119-L182 HydrophobicContact CD-CB 3.83Å; L169-L182 HydrophobicContact CD1-CG 4.22Å; L169-L182 HydrophobicContact CD2-CD2 4.4Å; D178-L182 CarbonylContact O-C 3.57Å; D178-L182 WeakPolarHBondContact O-CA 3.35Å; D178-L182 PolarHBondContact O-N 2.54Å; L179-L182 HydrophobicContact CD1-CD2 3.99Å; L179-L182 WeakPolarHBondContact O-CD2 3.49Å; L179-L182 PolarHBondContact O-N 2.95Å
183	S	79.8	Confident	76.3	Confident	28 Å²	28	52.2 Å²	52.2	20%	0.196	29%	0.287	C	S	.	.			trans	-80.6	150.8	178	-172.9	0	0	0	0	111.7	D178 T181 Q185	D178-S183 PolarHBondContact O-N 3.32Å; T181-S183 PolarHBondContact O-N 3.38Å; T181-S183 WeakPolarHBondContact OG1-CB 3.42Å; S183-Q185 PolarHBondContact OG-N 3.02Å
184	E	69.8	Low	76	Confident	108 Å²	108	56.8 Å²	56.8	51%	0.505	31%	0.306	S	S	.	.	S	Bend	trans	-90.6	-17.1	170	-68.1	-176.8	168	0	0	112.2	K89 M98	K89-E184 IonicContact NZ-OE1 3.87Å; M98-E184 HydrophobicContact CE-CG 4.28Å
185	Q	61.3	Low	75.7	Confident	153 Å²	153	59.7 Å²	59.7	72%	0.715	32%	0.32	S	S	*	.			trans	-83.8	141	-179.9	-67.3	178.9	-17.8	0	0	110.7	D178 S183	D178-Q185 VanDerWaalsContact CG-O 3.26Å; S183-Q185 PolarHBondContact OG-N 3.02Å
186	R	55.9	Low	75.4	Confident	137 Å²	137	60 Å²	60	52%	0.517	32%	0.323	S	S	.	.			trans	-107.4	132.6	174.8	-82.3	174.6	159.4	138.8	3.2	109.6	D178 I188 E375 R379	D178-R186 WeakPolarHBondContact OD2-CA 3.49Å; R186-I188 HydrophobicContact CB-CD1 4.07Å; R186-I188 HydrophobicContact CB-CG1 4.26Å; R186-I188 HydrophobicContact CG-CD1 4.35Å; R186-E375 IonicContact CZ-OE2 3.28Å; R186-E375 IonicContact NE-OE2 3.27Å; R186-E375 IonicContact NH2-OE2 2.77Å; R186-E375 PolarHBondContact NH2-OE2 3.3Å; R186-R379 VanDerWaalsContact CG-NH1 3.32Å; R186-R379 VanDerWaalsContact NE-NH2 3.12Å
187	I	53.8	Low	75.4	Confident	116 Å²	116	61 Å²	61	60%	0.595	33%	0.33	S	S	*	.			trans	-96.7	109.9	166.6	-55.9	179.5	0	0	0	107.7
188	I	49.2	Very low	75.9	Confident	106 Å²	106	59.4 Å²	59.4	54%	0.544	32%	0.317	S	S	.	.			trans	-137.5	121.4	-178.2	-68.3	174.3	0	0	0	109.8	R186 Y307	R186-I188 HydrophobicContact CB-CD1 4.07Å; R186-I188 HydrophobicContact CB-CG1 4.26Å; R186-I188 HydrophobicContact CG-CD1 4.35Å; I188-Y307 WeakPolarHBondContact CG2-OH 3.29Å
189	G	45.4	Very low	76.4	Confident	30 Å²	30	58.1 Å²	58.1	31%	0.309	31%	0.31	S	S	.	.			trans	173.4	137.6	174.2	0	0	0	0	0	109.8	T191 Q326	G189-T191 PolarHBondContact O-N 3.01Å; G189-T191 PolarHBondContact O-OG1 2.69Å; G189-Q326 PolarHBondContact O-NE2 3.49Å
190	G	55.7	Low	77	Confident	50 Å²	50	58 Å²	58	52%	0.515	31%	0.31	S	S	.	.	S	Bend	trans	-75.3	106.7	176.9	0	0	0	0	0	110.3	Q326	G190-Q326 WeakPolarHBondContact CA-O 3.3Å
191	T	76.9	Confident	77.6	Confident	90 Å²	90	57.8 Å²	57.8	55%	0.552	31%	0.308	S	S	*	.	S	Bend	trans	-158.6	-170.2	-174.9	50.9	0	0	0	0	109.5	G189 Q326	G189-T191 PolarHBondContact O-N 3.01Å; G189-T191 PolarHBondContact O-OG1 2.69Å; T191-Q326 PolarHBondContact O-N 3.26Å
192	E	85.3	Confident	78.3	Confident	95 Å²	95	54.9 Å²	54.9	44%	0.444	29%	0.291	S	S	.	.	B	Isolated β-bridge	trans	-50.7	138	159.4	-147.2	152.8	125.7	0	0	111	E323 R325	E192-E323 HydrophobicContact CG-CB 4.07Å; E192-R325 IonicContact OE2-CZ 3.83Å; E192-R325 IonicContact OE2-NH1 3.91Å; E192-R325 PolarHBondContact OE2-NH1 2.96Å; E192-R325 IonicContact OE2-NH2 2.67Å
193	A	88.4	Confident	79.2	Confident	3 Å²	3	55 Å²	55	3%	0.025	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-82.5	136.3	173.1	0	0	0	0	0	110	L324	A193-L324 HydrophobicContact CB-CB 4.16Å; A193-L324 HydrophobicContact CB-CD2 4.02Å; A193-L324 HydrophobicContact CB-CG 3.99Å; A193-L324 PolarHBondContact N-O 2.87Å
194	E	88.8	Confident	80.1	Confident	123 Å²	123	53.6 Å²	53.6	58%	0.575	28%	0.282	S	S	*	.	P	Polyproline II helix	trans	-74.9	152.3	171.5	-61.9	-177.2	178.9	0	0	110.3	G196 S197	E194-G196 PolarHBondContact O-N 3.06Å; E194-S197 PolarHBondContact N-OG 3.23Å; E194-S197 VanDerWaalsContact O-CB 3.22Å; E194-S197 WeakPolarHBondContact O-CB 3.49Å; E194-S197 PolarHBondContact O-N 3.45Å; E194-S197 PolarHBondContact O-OG 3.18Å
195	E	88.5	Confident	81.4	Confident	60 Å²	60	49.7 Å²	49.7	28%	0.28	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	134	175.8	-171.8	85.3	-107.3	0	0	110.7	S197 I244 R250 D287	E195-S197 VanDerWaalsContact C-N 3.27Å; E195-S197 PolarHBondContact O-N 2.87Å; E195-I244 HydrophobicContact CB-CD1 4.14Å; E195-I244 PolarHBondContact OE1-N 2.83Å; E195-R250 IonicContact OE1-NE 2.71Å; E195-R250 IonicContact OE2-CZ 3.68Å; E195-R250 VanDerWaalsContact OE2-CZ 3.31Å; E195-R250 IonicContact OE2-NE 2.9Å; E195-R250 PolarHBondContact OE2-NE 2.86Å; E195-R250 IonicContact OE2-NH2 3.56Å; E195-R250 PolarHBondContact OE2-NH2 3.07Å; E195-D287 HydrophobicContact CG-CB 4.46Å
196	G	86.9	Confident	83.1	Confident	7 Å²	7	43.7 Å²	43.7	7%	0.072	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	-3.1	-178.4	0	0	0	0	0	115.5	P177 E194 W198 P199	P177-G196 VanDerWaalsContact CG-O 3.29Å; P177-G196 WeakPolarHBondContact CG-O 3.06Å; E194-G196 PolarHBondContact O-N 3.06Å; G196-W198 VanDerWaalsContact C-N 3.3Å; G196-W198 PolarHBondContact O-N 3.23Å; G196-P199 WeakPolarHBondContact O-CD 3.22Å
197	S	90.8	Very high	84.8	Confident	24 Å²	24	42.5 Å²	42.5	17%	0.168	24%	0.239	C	C	.	.	S	Bend	trans	-63.3	-35.6	176.8	-58.5	0	0	0	0	113	E194 E195	E194-S197 PolarHBondContact N-OG 3.23Å; E194-S197 VanDerWaalsContact O-CB 3.22Å; E194-S197 WeakPolarHBondContact O-CB 3.49Å; E194-S197 PolarHBondContact O-N 3.45Å; E194-S197 PolarHBondContact O-OG 3.18Å; E195-S197 VanDerWaalsContact C-N 3.27Å; E195-S197 PolarHBondContact O-N 2.87Å
198	W	95.8	Very high	86.6	Confident	17 Å²	17	41 Å²	41	6%	0.064	23%	0.232	C	C	.	.	S	Bend	trans	-133.7	68.6	-177.2	-52.4	103.8	0	0	0	110.5	G196 W200 Q201 Y307 T309 L324 Q326 V373 W381	G196-W198 VanDerWaalsContact C-N 3.3Å; G196-W198 PolarHBondContact O-N 3.23Å; W198-W200 AromaticContact CE3-CE2 3.98Å; W198-W200 HydrophobicContact CE3-CH2 4.49Å; W198-W200 AromaticContact CE3-CZ2 3.53Å; W198-W200 HydrophobicContact CE3-CZ2 3.53Å; W198-W200 AromaticContact CE3-NE1 3.98Å; W198-W200 AromaticContact CZ3-CZ2 3.93Å; W198-W200 HydrophobicContact CZ3-CZ2 3.93Å; W198-W200 PolarHBondContact O-N 3.06Å; W198-Q201 HydrophobicContact CB-CB 4.24Å; W198-Q201 VanDerWaalsContact O-CB 3.23Å; W198-Q201 WeakPolarHBondContact O-CB 3.38Å; W198-Q201 PolarHBondContact O-N 3.25Å; W198-Y307 VanDerWaalsContact CH2-CB 3.48Å; W198-Y307 AromaticContact CH2-CD1 3.93Å; W198-Y307 HydrophobicContact CH2-CD1 3.93Å; W198-Y307 HydrophobicContact CH2-CD2 4.24Å; W198-Y307 AromaticContact CH2-CG 3.62Å; W198-Y307 HydrophobicContact CH2-CG 3.62Å; W198-Y307 AromaticContact CZ2-CD1 3.83Å; W198-Y307 HydrophobicContact CZ2-CD1 3.83Å; W198-Y307 HydrophobicContact CZ2-CG 4Å; W198-T309 HydrophobicContact CD2-CG2 3.64Å; W198-T309 HydrophobicContact CE3-CG2 4.35Å; W198-T309 HydrophobicContact CG-CG2 3.69Å; W198-T309 HydrophobicContact CZ2-CG2 4.15Å; W198-L324 HydrophobicContact CB-CD2 4.14Å; W198-L324 HydrophobicContact CG-CD2 4.45Å; W198-Q326 HydrophobicContact CZ2-CB 4.33Å; W198-V373 HydrophobicContact CE3-CG2 4Å; W198-V373 HydrophobicContact CH2-CG2 4.27Å; W198-V373 HydrophobicContact CZ3-CG2 3.46Å; W198-V373 VanDerWaalsContact CZ3-CG2 3.46Å; W198-W381 HydrophobicContact CH2-CE3 4.24Å; W198-W381 AromaticContact CH2-CH2 3.57Å; W198-W381 HydrophobicContact CH2-CH2 3.57Å; W198-W381 AromaticContact CH2-CZ2 3.98Å; W198-W381 HydrophobicContact CH2-CZ2 3.98Å; W198-W381 AromaticContact CH2-CZ3 3.72Å; W198-W381 HydrophobicContact CH2-CZ3 3.72Å; W198-W381 HydrophobicContact CZ3-CD2 4.01Å; W198-W381 AromaticContact CZ3-CE3 3.8Å; W198-W381 HydrophobicContact CZ3-CE3 3.8Å; W198-W381 AromaticContact CZ3-CH2 3.94Å; W198-W381 HydrophobicContact CZ3-CH2 3.94Å; W198-W381 HydrophobicContact CZ3-CZ2 4.16Å; W198-W381 AromaticContact CZ3-CZ3 3.76Å; W198-W381 HydrophobicContact CZ3-CZ3 3.76Å
199	P	96.6	Very high	88.7	Confident	3 Å²	3	38.6 Å²	38.6	2%	0.019	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-12	-167	26.6	-32.1	0	0	0	113.8	G196 D287 I288 H289	G196-P199 WeakPolarHBondContact O-CD 3.22Å; P199-D287 VanDerWaalsContact CA-O 3.28Å; P199-D287 WeakPolarHBondContact CA-O 3.39Å; P199-D287 VanDerWaalsContact CB-C 3.48Å; P199-D287 WeakPolarHBondContact CB-O 3.24Å; P199-I288 WeakPolarHBondContact O-CA 3.37Å; P199-H289 CarbonylContact C-O 3.54Å; P199-H289 WeakPolarHBondContact CG-CE1 3.37Å; P199-H289 WeakPolarHBondContact CG-NE2 3.38Å; P199-H289 PolarHBondContact O-N 3.26Å
200	W	98.4	Very high	91.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-8.5	173	46	80.2	0	0	0	114	W198 V202 S215 L216 H289 V291 V373 W381	W198-W200 AromaticContact CE3-CE2 3.98Å; W198-W200 HydrophobicContact CE3-CH2 4.49Å; W198-W200 AromaticContact CE3-CZ2 3.53Å; W198-W200 HydrophobicContact CE3-CZ2 3.53Å; W198-W200 AromaticContact CE3-NE1 3.98Å; W198-W200 AromaticContact CZ3-CZ2 3.93Å; W198-W200 HydrophobicContact CZ3-CZ2 3.93Å; W198-W200 PolarHBondContact O-N 3.06Å; W200-V202 WeakPolarHBondContact O-CG2 3.35Å; W200-V202 PolarHBondContact O-N 2.68Å; W200-S215 CarbonylContact O-C 3.6Å; W200-S215 WeakPolarHBondContact O-CA 3.36Å; W200-L216 HydrophobicContact CB-CB 4.31Å; W200-L216 PolarHBondContact O-N 3.46Å; W200-H289 VanDerWaalsContact CA-O 3.26Å; W200-H289 WeakPolarHBondContact CA-O 3.34Å; W200-H289 WeakPolarHBondContact CB-O 3.43Å; W200-H289 PolarHBondContact N-O 3.17Å; W200-V291 HydrophobicContact CB-CB 3.79Å; W200-V291 HydrophobicContact CB-CG1 4.3Å; W200-V291 HydrophobicContact CD2-CB 3.63Å; W200-V291 HydrophobicContact CD2-CG2 3.9Å; W200-V291 HydrophobicContact CE3-CB 3.98Å; W200-V291 HydrophobicContact CE3-CG2 4.29Å; W200-V291 HydrophobicContact CG-CB 3.56Å; W200-V291 HydrophobicContact CG-CG1 4.35Å; W200-V291 HydrophobicContact CG-CG2 4.17Å; W200-V291 HydrophobicContact CZ2-CG2 4.39Å; W200-V373 HydrophobicContact CZ2-CG2 4.45Å; W200-W381 HydrophobicContact CH2-CB 3.34Å; W200-W381 AromaticContact CH2-CD1 3.61Å; W200-W381 HydrophobicContact CH2-CD2 4.39Å; W200-W381 AromaticContact CH2-CG 3.49Å; W200-W381 HydrophobicContact CH2-CG 3.49Å; W200-W381 VanDerWaalsContact CH2-CG 3.49Å; W200-W381 HydrophobicContact CZ2-CB 3.54Å; W200-W381 HydrophobicContact CZ2-CD2 4.33Å; W200-W381 AromaticContact CZ2-CG 3.77Å; W200-W381 HydrophobicContact CZ2-CG 3.77Å; W200-W381 HydrophobicContact CZ3-CB 4.22Å
201	Q	98.4	Very high	93.1	Very high	3 Å²	3	39.7 Å²	39.7	1%	0.014	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	131.9	-179.4	-177.3	73.5	29.8	0	0	110.5	W198 T309 W311 L324	W198-Q201 HydrophobicContact CB-CB 4.24Å; W198-Q201 VanDerWaalsContact O-CB 3.23Å; W198-Q201 WeakPolarHBondContact O-CB 3.38Å; W198-Q201 PolarHBondContact O-N 3.25Å; Q201-T309 PolarHBondContact OE1-O 2.79Å; Q201-T309 PolarHBondContact OE1-OG1 3.13Å; Q201-W311 HydrophobicContact CB-CH2 4.46Å; Q201-W311 HydrophobicContact CG-CH2 3.31Å; Q201-W311 HydrophobicContact CG-CZ2 4.05Å; Q201-W311 HydrophobicContact CG-CZ3 3.59Å; Q201-W311 VanDerWaalsContact NE2-CZ3 3.29Å; Q201-L324 HydrophobicContact CB-CD2 4.16Å; Q201-L324 HydrophobicContact CG-CD1 3.72Å; Q201-L324 HydrophobicContact CG-CD2 3.98Å
202	V	98.6	Very high	94.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	134.2	177.1	-172.1	0	0	0	0	110.3	W200 L204 G213 G214 L216 I222 A240 F242	W200-V202 WeakPolarHBondContact O-CG2 3.35Å; W200-V202 PolarHBondContact O-N 2.68Å; V202-L204 HydrophobicContact CG1-CD2 4.4Å; V202-G213 CarbonylContact O-C 3.58Å; V202-G213 VanDerWaalsContact O-CA 3.27Å; V202-G213 WeakPolarHBondContact O-CA 3.1Å; V202-G214 PolarHBondContact N-O 3.16Å; V202-G214 PolarHBondContact O-N 3.43Å; V202-L216 HydrophobicContact CG2-CB 4.23Å; V202-I222 HydrophobicContact CB-CG2 4.32Å; V202-I222 HydrophobicContact CG1-CD1 3.87Å; V202-I222 HydrophobicContact CG2-CD1 4.27Å; V202-I222 HydrophobicContact CG2-CG1 4.11Å; V202-I222 HydrophobicContact CG2-CG2 4.22Å; V202-A240 HydrophobicContact CG1-CB 3.87Å; V202-F242 HydrophobicContact CG1-CE1 4.39Å; V202-F242 HydrophobicContact CG1-CZ 4.45Å; V202-F242 HydrophobicContact CG2-CD1 3.95Å; V202-F242 HydrophobicContact CG2-CE1 3.51Å; V202-F242 HydrophobicContact CG2-CZ 4.23Å
203	S	98.6	Very high	94.7	Very high	1 Å²	1	31 Å²	31	1%	0.007	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	114.6	164.7	174.3	0	0	0	0	108.5	H210 T241 W311	S203-H210 PolarHBondContact OG-ND1 2.04Å; S203-T241 WeakPolarHBondContact CB-OG1 2.75Å; S203-T241 PolarHBondContact N-O 2.72Å; S203-T241 PolarHBondContact O-N 3.03Å; S203-T241 PolarHBondContact O-OG1 3.39Å; S203-W311 VanDerWaalsContact CB-CZ3 3.48Å
204	L	98.6	Very high	95.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	121.5	171	-68.6	172.2	0	0	0	108.7	V202 H211 C212 T224 F229 W238 A240 V276	V202-L204 HydrophobicContact CG1-CD2 4.4Å; L204-H211 PolarHBondContact O-N 3.44Å; L204-C212 HydrophobicContact CB-CB 4.42Å; L204-C212 PolarHBondContact N-O 2.87Å; L204-C212 PolarHBondContact O-N 3.03Å; L204-T224 HydrophobicContact CD1-CG2 3.71Å; L204-F229 HydrophobicContact CD1-CZ 3.99Å; L204-W238 HydrophobicContact CB-CE3 4.17Å; L204-W238 HydrophobicContact CB-CZ3 4Å; L204-A240 HydrophobicContact CD2-CB 4.18Å; L204-V276 HydrophobicContact CD1-CG2 4.3Å; L204-V276 HydrophobicContact CD2-CG1 4.38Å; L204-V276 HydrophobicContact CD2-CG2 4.35Å
205	R	97.8	Very high	95.7	Very high	25 Å²	25	25 Å²	25	9%	0.094	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	126.8	-173.2	-53.5	179.4	76.8	93.6	-5.3	110.6	N208 A209 W238 I239 T241 T246	R205-N208 PolarHBondContact NE-O 3.24Å; R205-N208 PolarHBondContact NH2-O 3.26Å; R205-A209 CarbonylContact C-O 3.46Å; R205-A209 WeakPolarHBondContact CA-O 3.06Å; R205-A209 VanDerWaalsContact CB-O 3.32Å; R205-A209 WeakPolarHBondContact CB-O 3.41Å; R205-W238 VanDerWaalsContact O-CA 3.31Å; R205-W238 WeakPolarHBondContact O-CA 3.26Å; R205-I239 HydrophobicContact CB-CB 4.48Å; R205-I239 PolarHBondContact N-O 2.86Å; R205-I239 PolarHBondContact O-N 2.92Å; R205-T241 HydrophobicContact CG-CG2 4.37Å; R205-T246 PolarHBondContact NH1-O 2.83Å
206	L	96.8	Very high	96.2	Very high	28 Å²	28	22.1 Å²	22.1	15%	0.147	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	127.3	169.8	177.4	62.7	0	0	0	108.3	N208 A209 H211 N232 E237 W238	L206-N208 PolarHBondContact O-N 3.14Å; L206-N208 VanDerWaalsContact O-N 3.12Å; L206-A209 PolarHBondContact N-O 3.24Å; L206-A209 PolarHBondContact O-N 3.26Å; L206-H211 HydrophobicContact CB-CB 4.2Å; L206-N232 HydrophobicContact CD1-CB 4.11Å; L206-N232 HydrophobicContact CD2-CB 4.16Å; L206-E237 HydrophobicContact CD1-CB 3.9Å; L206-W238 HydrophobicContact CB-CD2 4.37Å; L206-W238 HydrophobicContact CB-CE3 4.24Å; L206-W238 HydrophobicContact CB-CH2 3.96Å; L206-W238 HydrophobicContact CB-CZ2 4.05Å; L206-W238 HydrophobicContact CB-CZ3 4.05Å; L206-W238 HydrophobicContact CD1-CD2 4.31Å; L206-W238 HydrophobicContact CD1-CZ2 4.11Å; L206-W238 HydrophobicContact CD2-CZ2 4.27Å; L206-W238 HydrophobicContact CG-CZ2 4.37Å
207	N	92.5	Very high	96.7	Very high	112 Å²	112	22.2 Å²	22.2	60%	0.599	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.5	40.2	-178	-65.9	-41.3	0	0	0	112.7	A209 E237	N207-A209 PolarHBondContact O-N 3.27Å; N207-E237 PolarHBondContact N-O 2.01Å
208	N	90.1	Very high	97.1	Very high	84 Å²	84	21.9 Å²	21.9	45%	0.449	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	13.1	-179.1	-159.6	41.7	0	0	0	115.8	R205 L206 R252	R205-N208 PolarHBondContact NE-O 3.24Å; R205-N208 PolarHBondContact NH2-O 3.26Å; L206-N208 PolarHBondContact O-N 3.14Å; L206-N208 VanDerWaalsContact O-N 3.12Å; N208-R252 PolarHBondContact OD1-NH2 2.82Å
209	A	94.6	Very high	97.1	Very high	55 Å²	55	24.5 Å²	24.5	46%	0.455	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	141.5	168.9	0	0	0	0	0	110.3	R205 L206 N207 H211	R205-A209 CarbonylContact C-O 3.46Å; R205-A209 WeakPolarHBondContact CA-O 3.06Å; R205-A209 VanDerWaalsContact CB-O 3.32Å; R205-A209 WeakPolarHBondContact CB-O 3.41Å; L206-A209 PolarHBondContact N-O 3.24Å; L206-A209 PolarHBondContact O-N 3.26Å; N207-A209 PolarHBondContact O-N 3.27Å; A209-H211 PolarHBondContact O-N 3.12Å
210	H	96.4	Very high	97.2	Very high	30 Å²	30	26 Å²	26	14%	0.139	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	131.2	173.6	173.9	59.6	0	0	0	109.7	S203 C212 T246 W311 G366	S203-H210 PolarHBondContact OG-ND1 2.04Å; H210-C212 VanDerWaalsContact CE1-C 3.46Å; H210-C212 PolarHBondContact CE1-O 3.16Å; H210-C212 PolarHBondContact ND1-O 3.11Å; H210-T246 HydrophobicContact CB-CG2 4.34Å; H210-W311 AromaticContact CE1-CE3 3.76Å; H210-G366 PolarHBondContact NE2-O 2.79Å; H210-G366 VanDerWaalsContact NE2-O 3.09Å
211	H	96.3	Very high	97.3	Very high	73 Å²	73	27 Å²	27	34%	0.338	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	-46.9	-178.8	-171.9	78.4	0	0	0	112	L204 L206 A209 C228 W238	L204-H211 PolarHBondContact O-N 3.44Å; L206-H211 HydrophobicContact CB-CB 4.2Å; A209-H211 PolarHBondContact O-N 3.12Å; H211-C228 PolarHBondContact NE2-O 3.09Å; H211-W238 HydrophobicContact CB-CH2 4.13Å; H211-W238 HydrophobicContact CB-CZ3 4.04Å; H211-W238 AromaticContact CD2-CH2 3.51Å; H211-W238 AromaticContact CG-CH2 3.94Å
212	C	98.1	Very high	97.3	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.014	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	161.6	179.1	-84.1	0	0	0	0	111.5	L204 H210 C228 S368	L204-C212 HydrophobicContact CB-CB 4.42Å; L204-C212 PolarHBondContact N-O 2.87Å; L204-C212 PolarHBondContact O-N 3.03Å; H210-C212 VanDerWaalsContact CE1-C 3.46Å; H210-C212 PolarHBondContact CE1-O 3.16Å; H210-C212 PolarHBondContact ND1-O 3.11Å; C212-C228 HydrophobicContact CB-CB 3.8Å; C212-C228 WeakPolarHBondContact CB-SG 3.34Å; C212-C228 WeakPolarHBondContact SG-CB 3.32Å; C212-C228 CovalentContact SG-SG 2.03Å; C212-C228 PolarHBondContact SG-SG 2.9Å; C212-S368 CarbonylContact C-O 3.54Å; C212-S368 WeakPolarHBondContact CA-O 3.11Å; C212-S368 WeakPolarHBondContact CB-O 3.26Å; C212-S368 PolarHBondContact SG-O 2.86Å
213	G	98.4	Very high	97.3	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.01	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	174.7	162	0	0	0	0	0	113.2	V202 T224 S368 G369	V202-G213 CarbonylContact O-C 3.58Å; V202-G213 VanDerWaalsContact O-CA 3.27Å; V202-G213 WeakPolarHBondContact O-CA 3.1Å; G213-T224 PolarHBondContact O-OG1 3.15Å; G213-S368 PolarHBondContact N-O 2.83Å; G213-G369 VanDerWaalsContact C-C 3.48Å; G213-G369 CarbonylContact C-O 3.5Å; G213-G369 CarbonylContact O-C 3.48Å
214	G	98.7	Very high	97.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168	168.5	174.7	0	0	0	0	0	110.7	V202 L223 G369	V202-G214 PolarHBondContact N-O 3.16Å; V202-G214 PolarHBondContact O-N 3.43Å; G214-L223 CarbonylContact C-O 3.59Å; G214-L223 WeakPolarHBondContact CA-O 3.31Å; G214-G369 WeakPolarHBondContact CA-O 3.43Å; G214-G369 PolarHBondContact N-O 2.78Å
215	S	98.9	Very high	97.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	123.3	-179.6	-53.1	0	0	0	0	110.7	W200 I217 I222 L223 P371	W200-S215 CarbonylContact O-C 3.6Å; W200-S215 WeakPolarHBondContact O-CA 3.36Å; S215-I217 PolarHBondContact O-N 3.34Å; S215-I222 CarbonylContact O-C 3.41Å; S215-I222 VanDerWaalsContact O-CA 3.24Å; S215-I222 WeakPolarHBondContact O-CA 3.41Å; S215-L223 PolarHBondContact N-O 3.25Å; S215-L223 PolarHBondContact O-N 3.09Å; S215-P371 WeakPolarHBondContact OG-CB 3.41Å
216	L	98.8	Very high	97.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	116.4	172.5	-168.4	64.9	0	0	0	109.4	W200 V202 S218 I222 F242 L278 F284 I288 S290 V291	W200-L216 HydrophobicContact CB-CB 4.31Å; W200-L216 PolarHBondContact O-N 3.46Å; V202-L216 HydrophobicContact CG2-CB 4.23Å; L216-S218 WeakPolarHBondContact CD1-O 3.4Å; L216-S218 VanDerWaalsContact CG-O 3.27Å; L216-S218 WeakPolarHBondContact CG-O 3.26Å; L216-I222 HydrophobicContact CD1-CG1 3.99Å; L216-F242 HydrophobicContact CB-CE1 4.31Å; L216-F242 HydrophobicContact CD1-CE1 3.91Å; L216-F242 HydrophobicContact CD1-CZ 4.19Å; L216-F242 HydrophobicContact CD2-CE1 3.92Å; L216-F242 HydrophobicContact CG-CE1 4.28Å; L216-L278 HydrophobicContact CD1-CD1 4.38Å; L216-F284 HydrophobicContact CD2-CE1 3.98Å; L216-I288 HydrophobicContact CD2-CG2 4.08Å; L216-S290 CarbonylContact O-C 3.58Å; L216-S290 WeakPolarHBondContact O-CA 3.38Å; L216-S290 WeakPolarHBondContact O-CB 3.06Å; L216-V291 PolarHBondContact O-N 3.34Å
217	I	98.5	Very high	97.4	Very high	8 Å²	8	26 Å²	26	4%	0.041	14%	0.143	C	C	.	.			trans	-109.9	-11	-177.8	58.9	161.5	0	0	0	113	S215 W221 L223 L275 V291 L293 L383 I412 I418	S215-I217 PolarHBondContact O-N 3.34Å; I217-W221 HydrophobicContact CD1-CB 4.06Å; I217-W221 HydrophobicContact CG1-CB 3.81Å; I217-W221 VanDerWaalsContact CG1-O 3.26Å; I217-W221 WeakPolarHBondContact CG1-O 3.37Å; I217-W221 PolarHBondContact N-O 3.12Å; I217-L223 HydrophobicContact CD1-CB 4.23Å; I217-L223 HydrophobicContact CG1-CB 4.48Å; I217-L223 HydrophobicContact CG2-CB 3.81Å; I217-L275 HydrophobicContact CD1-CD2 3.78Å; I217-V291 HydrophobicContact CG2-CG1 4.14Å; I217-L293 HydrophobicContact CB-CD1 4.37Å; I217-L293 HydrophobicContact CB-CG 4.41Å; I217-L293 HydrophobicContact CD1-CD1 4.23Å; I217-L293 HydrophobicContact CG2-CD2 3.88Å; I217-L293 HydrophobicContact CG2-CG 4.23Å; I217-L383 HydrophobicContact CG2-CD2 4.21Å; I217-I412 HydrophobicContact CD1-CG2 4.05Å; I217-I418 HydrophobicContact CD1-CD1 4.06Å; I217-I418 HydrophobicContact CG1-CD1 4.25Å
218	S	97.5	Very high	97.7	Very high	18 Å²	18	20.7 Å²	20.7	13%	0.126	12%	0.115	C	C	.	.	S	Bend	trans	-157.9	-177.9	166.5	66.5	0	0	0	0	109.3	L216 T220 W221 I418	L216-S218 WeakPolarHBondContact CD1-O 3.4Å; L216-S218 VanDerWaalsContact CG-O 3.27Å; L216-S218 WeakPolarHBondContact CG-O 3.26Å; S218-T220 PolarHBondContact O-N 3.32Å; S218-T220 VanDerWaalsContact O-N 3.1Å; S218-T220 PolarHBondContact OG-N 2.93Å; S218-W221 PolarHBondContact N-O 3.21Å; S218-W221 WeakPolarHBondContact OG-CB 3.37Å; S218-W221 PolarHBondContact OG-N 3.39Å; S218-W221 VanDerWaalsContact OG-N 3.08Å; S218-I418 WeakPolarHBondContact OG-CD1 3.32Å
219	N	97.4	Very high	98.1	Very high	71 Å²	71	16.9 Å²	16.9	38%	0.38	9%	0.094	S	C	.	.	S	Bend	trans	-64.3	-10.8	174.5	66.7	-1.3	0	0	0	114.5	S281 V282 F284	N219-S281 CarbonylContact O-C 3.57Å; N219-S281 VanDerWaalsContact O-CA 3.3Å; N219-S281 WeakPolarHBondContact O-CA 3.49Å; N219-V282 WeakPolarHBondContact CB-O 3.48Å; N219-V282 PolarHBondContact O-N 3.15Å; N219-F284 HydrophobicContact CB-CE1 3.97Å; N219-F284 HydrophobicContact CB-CZ 4.05Å
220	T	98.4	Very high	98	Very high	35 Å²	35	23 Å²	23	22%	0.215	11%	0.106	C	C	.	.	S	Bend	trans	-132.8	-5.1	-176.4	49.3	0	0	0	0	114.7	S218 R277 L278	S218-T220 PolarHBondContact O-N 3.32Å; S218-T220 VanDerWaalsContact O-N 3.1Å; S218-T220 PolarHBondContact OG-N 2.93Å; T220-R277 WeakPolarHBondContact O-CA 3.47Å; T220-L278 PolarHBondContact O-N 3.37Å
221	W	98.8	Very high	97.7	Very high	20 Å²	20	26.1 Å²	26.1	8%	0.076	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	135.5	-175.3	-69.1	100.3	0	0	0	112.3	I217 S218 L259 L275 R277 T416 I418	I217-W221 HydrophobicContact CD1-CB 4.06Å; I217-W221 HydrophobicContact CG1-CB 3.81Å; I217-W221 VanDerWaalsContact CG1-O 3.26Å; I217-W221 WeakPolarHBondContact CG1-O 3.37Å; I217-W221 PolarHBondContact N-O 3.12Å; S218-W221 PolarHBondContact N-O 3.21Å; S218-W221 WeakPolarHBondContact OG-CB 3.37Å; S218-W221 PolarHBondContact OG-N 3.39Å; S218-W221 VanDerWaalsContact OG-N 3.08Å; W221-L259 HydrophobicContact CH2-CD1 3.75Å; W221-L259 HydrophobicContact CZ3-CD1 3.91Å; W221-L275 HydrophobicContact CE3-CB 3.96Å; W221-L275 HydrophobicContact CE3-CD2 4.25Å; W221-L275 HydrophobicContact CZ3-CB 3.86Å; W221-R277 HydrophobicContact CD2-CB 4.38Å; W221-R277 HydrophobicContact CD2-CG 4.26Å; W221-R277 HydrophobicContact CE3-CB 3.89Å; W221-R277 HydrophobicContact CE3-CG 4.27Å; W221-R277 HydrophobicContact CH2-CB 3.8Å; W221-R277 HydrophobicContact CH2-CG 3.98Å; W221-R277 HydrophobicContact CZ2-CB 4.28Å; W221-R277 HydrophobicContact CZ2-CG 3.94Å; W221-R277 HydrophobicContact CZ3-CB 3.59Å; W221-R277 HydrophobicContact CZ3-CG 4.14Å; W221-T416 HydrophobicContact CD2-CG2 3.61Å; W221-T416 HydrophobicContact CE3-CG2 3.92Å; W221-T416 HydrophobicContact CG-CG2 3.91Å; W221-T416 HydrophobicContact CH2-CG2 4.44Å; W221-T416 HydrophobicContact CZ2-CG2 4.19Å; W221-T416 HydrophobicContact CZ3-CG2 4.32Å; W221-I418 HydrophobicContact CB-CD1 4.06Å; W221-I418 HydrophobicContact CG-CD1 4.15Å
222	I	98.9	Very high	97.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	136.4	172.3	-61.6	156.5	0	0	0	108.2	V202 S215 L216 A240 F242 L275 V276 L278	V202-I222 HydrophobicContact CB-CG2 4.32Å; V202-I222 HydrophobicContact CG1-CD1 3.87Å; V202-I222 HydrophobicContact CG2-CD1 4.27Å; V202-I222 HydrophobicContact CG2-CG1 4.11Å; V202-I222 HydrophobicContact CG2-CG2 4.22Å; S215-I222 CarbonylContact O-C 3.41Å; S215-I222 VanDerWaalsContact O-CA 3.24Å; S215-I222 WeakPolarHBondContact O-CA 3.41Å; L216-I222 HydrophobicContact CD1-CG1 3.99Å; I222-A240 HydrophobicContact CD1-CB 3.63Å; I222-F242 HydrophobicContact CD1-CZ 4.31Å; I222-L275 WeakPolarHBondContact O-CA 3.46Å; I222-V276 HydrophobicContact CB-CB 4.16Å; I222-V276 PolarHBondContact N-O 3.03Å; I222-V276 PolarHBondContact O-N 3.1Å; I222-L278 HydrophobicContact CD1-CD1 4.28Å; I222-L278 HydrophobicContact CD1-CD2 3.55Å; I222-L278 HydrophobicContact CD1-CG 4.05Å
223	L	98.9	Very high	97.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	136.8	171.6	-163.7	68.7	0	0	0	109.9	G214 S215 I217 I273 L275 L293 L383 I386 V405 W411 I412	G214-L223 CarbonylContact C-O 3.59Å; G214-L223 WeakPolarHBondContact CA-O 3.31Å; S215-L223 PolarHBondContact N-O 3.25Å; S215-L223 PolarHBondContact O-N 3.09Å; I217-L223 HydrophobicContact CD1-CB 4.23Å; I217-L223 HydrophobicContact CG1-CB 4.48Å; I217-L223 HydrophobicContact CG2-CB 3.81Å; L223-I273 HydrophobicContact CD1-CD1 3.91Å; L223-I273 HydrophobicContact CD1-CG1 3.88Å; L223-I273 HydrophobicContact CD2-CD1 4.41Å; L223-I273 HydrophobicContact CG-CD1 4.44Å; L223-I273 HydrophobicContact CG-CG1 4.42Å; L223-L275 HydrophobicContact CD1-CD2 3.52Å; L223-L275 HydrophobicContact CD1-CG 4Å; L223-L293 HydrophobicContact CD2-CD2 4.14Å; L223-L383 HydrophobicContact CB-CD2 4.33Å; L223-L383 HydrophobicContact CD2-CD2 3.72Å; L223-I386 HydrophobicContact CD2-CD1 3.79Å; L223-I386 HydrophobicContact CD2-CG1 4.44Å; L223-I386 HydrophobicContact CG-CD1 3.79Å; L223-V405 HydrophobicContact CD2-CG1 4.41Å; L223-W411 HydrophobicContact CD1-CZ3 4.5Å; L223-I412 HydrophobicContact CD1-CD1 4.07Å; L223-I412 HydrophobicContact CD1-CG1 4.02Å; L223-I412 HydrophobicContact CD2-CD1 3.72Å
224	T	98.9	Very high	97.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	-173.8	-177.6	-174.3	0	0	0	0	110	L204 G213 F229 I273 A274 V276 G369	L204-T224 HydrophobicContact CD1-CG2 3.71Å; G213-T224 PolarHBondContact O-OG1 3.15Å; T224-F229 HydrophobicContact CG2-CE2 3.53Å; T224-F229 HydrophobicContact CG2-CZ 3.86Å; T224-I273 WeakPolarHBondContact O-CA 3.16Å; T224-A274 HydrophobicContact CG2-CB 4.25Å; T224-A274 PolarHBondContact N-O 2.93Å; T224-A274 PolarHBondContact O-N 2.8Å; T224-V276 HydrophobicContact CG2-CG2 3.98Å; T224-G369 WeakPolarHBondContact OG1-CA 3.47Å
225	A	98.8	Very high	97.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.17	C	C	.	.			trans	-84.5	149.9	178.2	0	0	0	0	0	111.8	H227 I386	A225-H227 WeakPolarHBondContact CB-ND1 3.2Å; A225-I386 HydrophobicContact CB-CG2 4.14Å
226	A	98.8	Very high	97.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.212	C	C	.	.	S	Bend	trans	-69.6	-38.8	176.6	0	0	0	0	0	112.1	C228 F229 I260 Y264 D272	A226-C228 PolarHBondContact O-N 2.9Å; A226-C228 VanDerWaalsContact O-N 3.12Å; A226-F229 PolarHBondContact O-N 2.92Å; A226-I260 HydrophobicContact CB-CG2 3.73Å; A226-Y264 HydrophobicContact CB-CD1 3.85Å; A226-Y264 HydrophobicContact CB-CD2 3.59Å; A226-Y264 HydrophobicContact CB-CE1 4.19Å; A226-Y264 HydrophobicContact CB-CE2 3.95Å; A226-Y264 HydrophobicContact CB-CG 3.53Å; A226-D272 WeakPolarHBondContact CA-OD1 3.27Å; A226-D272 WeakPolarHBondContact CB-OD1 3.45Å; A226-D272 PolarHBondContact N-OD1 2.87Å
227	H	98.3	Very high	97.3	Very high	37 Å²	37	45.9 Å²	45.9	17%	0.171	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-61.1	-25.1	-175.2	75.1	-103.9	0	0	0	113.1	A225 F229 R230 Y264 D272 S368 S388	A225-H227 WeakPolarHBondContact CB-ND1 3.2Å; H227-F229 PolarHBondContact O-N 3.09Å; H227-F229 VanDerWaalsContact O-N 3.1Å; H227-R230 WeakPolarHBondContact O-CB 3.15Å; H227-R230 PolarHBondContact O-N 3.4Å; H227-R230 VanDerWaalsContact O-N 3.17Å; H227-Y264 WeakPolarHBondContact CB-OH 3.37Å; H227-D272 IonicContact CE1-OD2 2.83Å; H227-D272 IonicContact CG-OD1 2.88Å; H227-D272 IonicContact CG-OD2 2.81Å; H227-D272 PolarHBondContact N-OD1 3.24Å; H227-D272 IonicContact ND1-OD1 3.31Å; H227-D272 PolarHBondContact ND1-OD1 3.33Å; H227-D272 IonicContact ND1-OD2 3.53Å; H227-D272 PolarHBondContact ND1-OD2 3.42Å; H227-S368 WeakPolarHBondContact NE2-CB 3.34Å; H227-S368 PolarHBondContact NE2-OG 3.25Å; H227-S388 PolarHBondContact CE1-O 2.83Å
228	C	98.3	Very high	97.3	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-56.1	-24.1	173.8	-67.5	0	0	0	0	113.7	H211 C212 A226 W238	H211-C228 PolarHBondContact NE2-O 3.09Å; C212-C228 HydrophobicContact CB-CB 3.8Å; C212-C228 WeakPolarHBondContact CB-SG 3.34Å; C212-C228 WeakPolarHBondContact SG-CB 3.32Å; C212-C228 CovalentContact SG-SG 2.03Å; C212-C228 PolarHBondContact SG-SG 2.9Å; A226-C228 PolarHBondContact O-N 2.9Å; A226-C228 VanDerWaalsContact O-N 3.12Å; C228-W238 VanDerWaalsContact O-CH2 3.24Å; C228-W238 WeakPolarHBondContact O-CH2 3.38Å; C228-W238 WeakPolarHBondContact O-CZ2 3.47Å
229	F	98	Very high	97.4	Very high	4 Å²	4	47 Å²	47	2%	0.018	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-111.7	7.2	-176.4	-53.5	-67.9	0	0	0	113.5	L204 T224 A226 H227 S231 N232 W238 I258 I260 A274 V276	L204-F229 HydrophobicContact CD1-CZ 3.99Å; T224-F229 HydrophobicContact CG2-CE2 3.53Å; T224-F229 HydrophobicContact CG2-CZ 3.86Å; A226-F229 PolarHBondContact O-N 2.92Å; H227-F229 PolarHBondContact O-N 3.09Å; H227-F229 VanDerWaalsContact O-N 3.1Å; F229-S231 VanDerWaalsContact C-N 3.31Å; F229-S231 PolarHBondContact O-N 2.81Å; F229-N232 CarbonylContact O-C 3.55Å; F229-N232 PolarHBondContact O-N 2.91Å; F229-W238 HydrophobicContact CD1-CD2 4.18Å; F229-W238 AromaticContact CD1-CE2 3.61Å; F229-W238 AromaticContact CD1-CH2 3.94Å; F229-W238 HydrophobicContact CD1-CH2 3.94Å; F229-W238 AromaticContact CD1-CZ2 3.5Å; F229-W238 HydrophobicContact CD1-CZ2 3.5Å; F229-W238 VanDerWaalsContact CD1-CZ2 3.5Å; F229-W238 HydrophobicContact CD1-CZ3 4.47Å; F229-W238 AromaticContact CD1-NE1 3.97Å; F229-W238 AromaticContact CE1-CD2 3.84Å; F229-W238 HydrophobicContact CE1-CD2 3.84Å; F229-W238 AromaticContact CE1-CE2 3.77Å; F229-W238 AromaticContact CE1-CE3 3.97Å; F229-W238 HydrophobicContact CE1-CE3 3.97Å; F229-W238 HydrophobicContact CE1-CG 4.47Å; F229-W238 AromaticContact CE1-CH2 3.92Å; F229-W238 HydrophobicContact CE1-CH2 3.92Å; F229-W238 AromaticContact CE1-CZ2 3.83Å; F229-W238 HydrophobicContact CE1-CZ2 3.83Å; F229-W238 HydrophobicContact CE1-CZ3 4Å; F229-I258 HydrophobicContact CB-CG2 4.27Å; F229-I258 HydrophobicContact CD1-CD1 3.73Å; F229-I258 HydrophobicContact CD1-CG1 4.42Å; F229-I258 HydrophobicContact CD1-CG2 3.86Å; F229-I258 HydrophobicContact CD2-CG2 3.59Å; F229-I258 HydrophobicContact CE1-CD1 3.72Å; F229-I258 HydrophobicContact CE1-CG1 4.18Å; F229-I258 HydrophobicContact CE1-CG2 4.05Å; F229-I258 HydrophobicContact CE2-CG2 3.77Å; F229-I258 HydrophobicContact CG-CG2 3.61Å; F229-I258 HydrophobicContact CZ-CG2 4Å; F229-I260 HydrophobicContact CB-CD1 3.75Å; F229-I260 HydrophobicContact CB-CG1 4.23Å; F229-I260 HydrophobicContact CD2-CG1 4.41Å; F229-A274 HydrophobicContact CD2-CB 3.83Å; F229-A274 HydrophobicContact CE2-CB 3.73Å; F229-V276 HydrophobicContact CE1-CG2 4.34Å; F229-V276 HydrophobicContact CE2-CG2 3.99Å; F229-V276 HydrophobicContact CZ-CG2 3.43Å; F229-V276 VanDerWaalsContact CZ-CG2 3.43Å
230	R	92.3	Very high	97.4	Very high	184 Å²	184	43.7 Å²	43.7	69%	0.694	21%	0.212	S	C	*	.	S	Bend	trans	-60.6	-40.5	-177	-178.5	-174.4	174.5	-178.5	-7.4	112.3	H227 S266	H227-R230 WeakPolarHBondContact O-CB 3.15Å; H227-R230 PolarHBondContact O-N 3.4Å; H227-R230 VanDerWaalsContact O-N 3.17Å; R230-S266 VanDerWaalsContact CD-OG 3.27Å; R230-S266 WeakPolarHBondContact CD-OG 3.45Å; R230-S266 PolarHBondContact NE-OG 2.98Å; R230-S266 VanDerWaalsContact NE-OG 3.13Å; R230-S266 PolarHBondContact NH1-OG 3.32Å
231	S	90.5	Very high	97.4	Very high	95 Å²	95	42.1 Å²	42.1	66%	0.664	20%	0.202	S	C	*	.	S	Bend	trans	-83.6	-34	-179.1	52.2	0	0	0	0	112.4	F229	F229-S231 VanDerWaalsContact C-N 3.31Å; F229-S231 PolarHBondContact O-N 2.81Å
232	N	95.2	Very high	97.4	Very high	33 Å²	33	41.2 Å²	41.2	18%	0.176	20%	0.199	C	C	.	.			trans	-152.8	117	-179.2	-170.4	-33.6	0	0	0	111.3	L206 F229 N234 E237 W238	L206-N232 HydrophobicContact CD1-CB 4.11Å; L206-N232 HydrophobicContact CD2-CB 4.16Å; F229-N232 CarbonylContact O-C 3.55Å; F229-N232 PolarHBondContact O-N 2.91Å; N232-N234 WeakPolarHBondContact OD1-CB 3.33Å; N232-N234 PolarHBondContact OD1-N 3.23Å; N232-E237 VanDerWaalsContact ND2-CD 3.33Å; N232-E237 PolarHBondContact ND2-OE2 3.14Å; N232-W238 WeakPolarHBondContact O-CZ2 3.47Å; N232-W238 PolarHBondContact O-NE1 3.02Å
233	S	96.1	Very high	97.2	Very high	66 Å²	66	41.8 Å²	41.8	46%	0.462	21%	0.205	S	C	.	.			trans	-114	14.7	177.2	68.2	0	0	0	0	113.3	P235	S233-P235 WeakPolarHBondContact O-CD 3.3Å
234	N	97.8	Very high	96.9	Very high	63 Å²	63	43.1 Å²	43.1	34%	0.337	21%	0.212	S	C	.	.			trans	-74.9	107.8	178.8	175.9	9.4	0	0	0	110.3	N232 R236 E237 W238	N232-N234 WeakPolarHBondContact OD1-CB 3.33Å; N232-N234 PolarHBondContact OD1-N 3.23Å; N234-R236 PolarHBondContact O-N 3.32Å; N234-R236 PolarHBondContact OD1-N 3.41Å; N234-E237 PolarHBondContact ND2-OE1 3.09Å; N234-E237 PolarHBondContact O-N 2.79Å; N234-W238 VanDerWaalsContact O-CD1 3.25Å
235	P	97.6	Very high	96.8	Very high	32 Å²	32	43.6 Å²	43.6	21%	0.208	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-54.4	-28	-173.7	-28.3	38.6	0	0	0	114.8	S233 E237 W238 V255 I258	S233-P235 WeakPolarHBondContact O-CD 3.3Å; P235-E237 PolarHBondContact O-N 3.35Å; P235-W238 PolarHBondContact O-N 3.19Å; P235-V255 HydrophobicContact CB-CG1 4.05Å; P235-I258 HydrophobicContact CG-CD1 4.46Å; P235-I258 HydrophobicContact CG-CG1 4.47Å
236	R	97.2	Very high	96.5	Very high	234 Å²	234	44.3 Å²	44.3	88%	0.883	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-68.2	-21.6	-178.1	-64.1	-178.6	179	169.3	0.6	113.8	N234	N234-R236 PolarHBondContact O-N 3.32Å; N234-R236 PolarHBondContact OD1-N 3.41Å
237	E	97.7	Very high	96.3	Very high	63 Å²	63	53.1 Å²	53.1	29%	0.294	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-92.7	-4.9	179.1	-66.9	175.9	-125.7	0	0	112.6	L206 N207 N232 N234 P235	L206-E237 HydrophobicContact CD1-CB 3.9Å; N207-E237 PolarHBondContact N-O 2.01Å; N232-E237 VanDerWaalsContact ND2-CD 3.33Å; N232-E237 PolarHBondContact ND2-OE2 3.14Å; N234-E237 PolarHBondContact ND2-OE1 3.09Å; N234-E237 PolarHBondContact O-N 2.79Å; P235-E237 PolarHBondContact O-N 3.35Å
238	W	98.6	Very high	96.1	Very high	4 Å²	4	57.5 Å²	57.5	2%	0.015	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	136.8	-177.5	-70.7	91.7	0	0	0	112.5	L204 R205 L206 H211 C228 F229 N232 N234 P235 V255 I258	L204-W238 HydrophobicContact CB-CE3 4.17Å; L204-W238 HydrophobicContact CB-CZ3 4Å; R205-W238 VanDerWaalsContact O-CA 3.31Å; R205-W238 WeakPolarHBondContact O-CA 3.26Å; L206-W238 HydrophobicContact CB-CD2 4.37Å; L206-W238 HydrophobicContact CB-CE3 4.24Å; L206-W238 HydrophobicContact CB-CH2 3.96Å; L206-W238 HydrophobicContact CB-CZ2 4.05Å; L206-W238 HydrophobicContact CB-CZ3 4.05Å; L206-W238 HydrophobicContact CD1-CD2 4.31Å; L206-W238 HydrophobicContact CD1-CZ2 4.11Å; L206-W238 HydrophobicContact CD2-CZ2 4.27Å; L206-W238 HydrophobicContact CG-CZ2 4.37Å; H211-W238 HydrophobicContact CB-CH2 4.13Å; H211-W238 HydrophobicContact CB-CZ3 4.04Å; H211-W238 AromaticContact CD2-CH2 3.51Å; H211-W238 AromaticContact CG-CH2 3.94Å; C228-W238 VanDerWaalsContact O-CH2 3.24Å; C228-W238 WeakPolarHBondContact O-CH2 3.38Å; C228-W238 WeakPolarHBondContact O-CZ2 3.47Å; F229-W238 HydrophobicContact CD1-CD2 4.18Å; F229-W238 AromaticContact CD1-CE2 3.61Å; F229-W238 AromaticContact CD1-CH2 3.94Å; F229-W238 HydrophobicContact CD1-CH2 3.94Å; F229-W238 AromaticContact CD1-CZ2 3.5Å; F229-W238 HydrophobicContact CD1-CZ2 3.5Å; F229-W238 VanDerWaalsContact CD1-CZ2 3.5Å; F229-W238 HydrophobicContact CD1-CZ3 4.47Å; F229-W238 AromaticContact CD1-NE1 3.97Å; F229-W238 AromaticContact CE1-CD2 3.84Å; F229-W238 HydrophobicContact CE1-CD2 3.84Å; F229-W238 AromaticContact CE1-CE2 3.77Å; F229-W238 AromaticContact CE1-CE3 3.97Å; F229-W238 HydrophobicContact CE1-CE3 3.97Å; F229-W238 HydrophobicContact CE1-CG 4.47Å; F229-W238 AromaticContact CE1-CH2 3.92Å; F229-W238 HydrophobicContact CE1-CH2 3.92Å; F229-W238 AromaticContact CE1-CZ2 3.83Å; F229-W238 HydrophobicContact CE1-CZ2 3.83Å; F229-W238 HydrophobicContact CE1-CZ3 4Å; N232-W238 WeakPolarHBondContact O-CZ2 3.47Å; N232-W238 PolarHBondContact O-NE1 3.02Å; N234-W238 VanDerWaalsContact O-CD1 3.25Å; P235-W238 PolarHBondContact O-N 3.19Å; W238-V255 HydrophobicContact CB-CB 4.2Å; W238-V255 HydrophobicContact CB-CG2 3.92Å; W238-I258 HydrophobicContact CB-CD1 4.42Å; W238-I258 HydrophobicContact CG-CD1 3.95Å
239	I	98.4	Very high	95.9	Very high	47 Å²	47	58.6 Å²	58.6	24%	0.241	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	132.7	173.3	-61.5	173.2	0	0	0	108.3	R205 T241 R252	R205-I239 HydrophobicContact CB-CB 4.48Å; R205-I239 PolarHBondContact N-O 2.86Å; R205-I239 PolarHBondContact O-N 2.92Å; I239-T241 HydrophobicContact CG2-CG2 3.84Å; I239-R252 HydrophobicContact CG2-CB 4.21Å
240	A	98.6	Very high	95.8	Very high	0 Å²	0	66 Å²	66	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	131.1	168.3	0	0	0	0	0	109.5	V202 L204 I222 F242 R252 M253 L278	V202-A240 HydrophobicContact CG1-CB 3.87Å; L204-A240 HydrophobicContact CD2-CB 4.18Å; I222-A240 HydrophobicContact CD1-CB 3.63Å; A240-F242 HydrophobicContact CB-CE2 4.32Å; A240-R252 CarbonylContact O-C 3.55Å; A240-M253 HydrophobicContact CB-CB 4.44Å; A240-M253 PolarHBondContact N-O 2.9Å; A240-M253 PolarHBondContact O-N 3.3Å; A240-L278 HydrophobicContact CB-CD2 3.76Å
241	T	98.4	Very high	96	Very high	2 Å²	2	59.7 Å²	59.7	1%	0.012	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	144.8	176.2	61.2	0	0	0	0	112	S203 R205 I239 P249 L251 R252	S203-T241 WeakPolarHBondContact CB-OG1 2.75Å; S203-T241 PolarHBondContact N-O 2.72Å; S203-T241 PolarHBondContact O-N 3.03Å; S203-T241 PolarHBondContact O-OG1 3.39Å; R205-T241 HydrophobicContact CG-CG2 4.37Å; I239-T241 HydrophobicContact CG2-CG2 3.84Å; T241-P249 HydrophobicContact CG2-CB 4.21Å; T241-P249 HydrophobicContact CG2-CG 4.18Å; T241-L251 CarbonylContact C-O 3.58Å; T241-L251 VanDerWaalsContact CA-O 3.24Å; T241-L251 WeakPolarHBondContact CA-O 3.2Å; T241-R252 HydrophobicContact CG2-CB 4.19Å; T241-R252 HydrophobicContact CG2-CG 3.84Å
242	F	98	Very high	96.4	Very high	2 Å²	2	60.5 Å²	60.5	1%	0.009	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	161.7	-173.5	-56.1	-96	0	0	0	111.7	V202 L216 I222 A240 P249 R250 L251 M253 L278 V282 I288	V202-F242 HydrophobicContact CG1-CE1 4.39Å; V202-F242 HydrophobicContact CG1-CZ 4.45Å; V202-F242 HydrophobicContact CG2-CD1 3.95Å; V202-F242 HydrophobicContact CG2-CE1 3.51Å; V202-F242 HydrophobicContact CG2-CZ 4.23Å; L216-F242 HydrophobicContact CB-CE1 4.31Å; L216-F242 HydrophobicContact CD1-CE1 3.91Å; L216-F242 HydrophobicContact CD1-CZ 4.19Å; L216-F242 HydrophobicContact CD2-CE1 3.92Å; L216-F242 HydrophobicContact CG-CE1 4.28Å; I222-F242 HydrophobicContact CD1-CZ 4.31Å; A240-F242 HydrophobicContact CB-CE2 4.32Å; F242-P249 CarbonylContact O-C 3.59Å; F242-R250 PolarHBondContact O-N 2.94Å; F242-L251 HydrophobicContact CB-CB 4.2Å; F242-L251 HydrophobicContact CD2-CB 4Å; F242-L251 HydrophobicContact CD2-CD2 3.96Å; F242-L251 HydrophobicContact CD2-CG 4.07Å; F242-L251 HydrophobicContact CE2-CD2 4.32Å; F242-L251 HydrophobicContact CG-CB 4.48Å; F242-L251 PolarHBondContact N-O 2.88Å; F242-M253 HydrophobicContact CD2-CG 4.26Å; F242-M253 HydrophobicContact CE2-CB 4.11Å; F242-M253 HydrophobicContact CE2-CG 3.57Å; F242-M253 HydrophobicContact CZ-CG 4.5Å; F242-L278 HydrophobicContact CZ-CD1 4.08Å; F242-V282 HydrophobicContact CE2-CG2 4.17Å; F242-V282 HydrophobicContact CZ-CG2 3.97Å; F242-I288 HydrophobicContact CB-CD1 3.7Å; F242-I288 HydrophobicContact CB-CG1 3.99Å; F242-I288 HydrophobicContact CB-CG2 4.23Å; F242-I288 HydrophobicContact CD1-CG2 3.68Å; F242-I288 HydrophobicContact CE1-CG2 4.26Å; F242-I288 HydrophobicContact CG-CD1 4.37Å; F242-I288 HydrophobicContact CG-CG2 4.02Å
243	G	94.6	Very high	96.5	Very high	11 Å²	11	60 Å²	60	11%	0.113	28%	0.277	C	S	.	.	S	Bend	trans	95.7	178.6	-172.3	0	0	0	0	0	112	W311	G243-W311 WeakPolarHBondContact O-CZ2 3.37Å
244	I	93.8	Very high	96.6	Very high	29 Å²	29	66.2 Å²	66.2	15%	0.149	29%	0.291	C	S	.	.	S	Bend	trans	-83.1	-18.8	-172.1	61.7	169.5	0	0	0	115.3	E195 W311 L324	E195-I244 HydrophobicContact CB-CD1 4.14Å; E195-I244 PolarHBondContact OE1-N 2.83Å; I244-W311 PolarHBondContact O-NE1 2.94Å; I244-L324 HydrophobicContact CB-CB 4.02Å; I244-L324 HydrophobicContact CG2-CB 4.31Å; I244-L324 HydrophobicContact CG2-CD2 4.24Å; I244-L324 WeakPolarHBondContact O-CB 3.39Å; I244-L324 PolarHBondContact O-N 3.32Å
245	S	95.2	Very high	96.7	Very high	10 Å²	10	63.7 Å²	63.7	7%	0.07	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-107.6	125.7	-175.7	-170.8	0	0	0	0	112	R247 N248 P249 S322 E323	S245-R247 PolarHBondContact O-N 3.24Å; S245-R247 PolarHBondContact OG-N 3.45Å; S245-N248 CarbonylContact O-C 3.59Å; S245-N248 PolarHBondContact OG-N 3.26Å; S245-P249 WeakPolarHBondContact O-CA 3.42Å; S245-S322 CarbonylContact C-O 3.54Å; S245-S322 WeakPolarHBondContact CA-O 3.45Å; S245-E323 WeakPolarHBondContact CB-OE1 2.94Å; S245-E323 WeakPolarHBondContact CB-OE2 3.43Å; S245-E323 PolarHBondContact OG-OE1 3.48Å
246	T	93.4	Very high	96.7	Very high	14 Å²	14	68.7 Å²	68.7	9%	0.086	29%	0.292	C	S	.	.	S	Bend	trans	-74	-16.9	171.6	62.3	0	0	0	0	112.6	R205 H210 W311 S322	R205-T246 PolarHBondContact NH1-O 2.83Å; H210-T246 HydrophobicContact CB-CG2 4.34Å; T246-W311 HydrophobicContact CG2-CB 4.04Å; T246-W311 HydrophobicContact CG2-CD2 3.51Å; T246-W311 HydrophobicContact CG2-CE3 4.17Å; T246-W311 HydrophobicContact CG2-CG 3.44Å; T246-W311 VanDerWaalsContact CG2-CG 3.44Å; T246-W311 HydrophobicContact CG2-CZ2 4.35Å; T246-S322 PolarHBondContact N-O 3.33Å; T246-S322 WeakPolarHBondContact OG1-CA 3.45Å; T246-S322 PolarHBondContact OG1-O 2.98Å
247	R	93.6	Very high	96.8	Very high	185 Å²	185	59.1 Å²	59.1	70%	0.698	26%	0.261	S	S	*	.	S	Bend	trans	-84.4	-47.1	175.4	-68.9	178.7	-177.9	177.2	3.5	110.9	S245 P249	S245-R247 PolarHBondContact O-N 3.24Å; S245-R247 PolarHBondContact OG-N 3.45Å; R247-P249 WeakPolarHBondContact O-CD 3.3Å
248	N	94.6	Very high	96.8	Very high	130 Å²	130	57.3 Å²	57.3	70%	0.695	25%	0.253	S	S	*	.	S	Bend	trans	-118.1	67.8	-177	-59.5	-48	0	0	0	110.9	S245	S245-N248 CarbonylContact O-C 3.59Å; S245-N248 PolarHBondContact OG-N 3.26Å
249	P	95.3	Very high	96.8	Very high	23 Å²	23	59.7 Å²	59.7	15%	0.149	27%	0.266	C	S	.	.			trans	-67.6	145.9	-179	29.1	-35.2	0	0	0	111	T241 F242 S245 R247 R252	T241-P249 HydrophobicContact CG2-CB 4.21Å; T241-P249 HydrophobicContact CG2-CG 4.18Å; F242-P249 CarbonylContact O-C 3.59Å; S245-P249 WeakPolarHBondContact O-CA 3.42Å; R247-P249 WeakPolarHBondContact O-CD 3.3Å; P249-R252 HydrophobicContact CG-CG 3.98Å; P249-R252 VanDerWaalsContact CG-NH1 3.26Å
250	R	95.2	Very high	96.8	Very high	158 Å²	158	60.1 Å²	60.1	60%	0.596	27%	0.268	S	S	*	.	S	Bend	trans	-68.5	-38.2	177.2	-69.7	-68.7	-175.9	168.2	1.2	112.6	E195 F242 I288	E195-R250 IonicContact OE1-NE 2.71Å; E195-R250 IonicContact OE2-CZ 3.68Å; E195-R250 VanDerWaalsContact OE2-CZ 3.31Å; E195-R250 IonicContact OE2-NE 2.9Å; E195-R250 PolarHBondContact OE2-NE 2.86Å; E195-R250 IonicContact OE2-NH2 3.56Å; E195-R250 PolarHBondContact OE2-NH2 3.07Å; F242-R250 PolarHBondContact O-N 2.94Å; R250-I288 HydrophobicContact CB-CD1 4.24Å
251	L	97.3	Very high	96.8	Very high	53 Å²	53	61.1 Å²	61.1	28%	0.277	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	141.1	-177.5	-179.1	64.9	0	0	0	109.6	T241 F242 M253 V282 I288	T241-L251 CarbonylContact C-O 3.58Å; T241-L251 VanDerWaalsContact CA-O 3.24Å; T241-L251 WeakPolarHBondContact CA-O 3.2Å; F242-L251 HydrophobicContact CB-CB 4.2Å; F242-L251 HydrophobicContact CD2-CB 4Å; F242-L251 HydrophobicContact CD2-CD2 3.96Å; F242-L251 HydrophobicContact CD2-CG 4.07Å; F242-L251 HydrophobicContact CE2-CD2 4.32Å; F242-L251 HydrophobicContact CG-CB 4.48Å; F242-L251 PolarHBondContact N-O 2.88Å; L251-M253 HydrophobicContact CD1-SD 3.98Å; L251-M253 HydrophobicContact CD2-CG 3.94Å; L251-M253 HydrophobicContact CD2-SD 3.93Å; L251-M253 HydrophobicContact CG-CG 3.94Å; L251-M253 HydrophobicContact CG-SD 3.96Å; L251-V282 HydrophobicContact CD2-CG1 3.86Å; L251-V282 HydrophobicContact CD2-CG2 4.14Å; L251-I288 HydrophobicContact CB-CD1 3.8Å; L251-I288 HydrophobicContact CD2-CD1 4.16Å
252	R	97.7	Very high	96.7	Very high	112 Å²	112	67 Å²	67	42%	0.423	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	128.9	171.7	-52.5	-178.5	104.8	103.2	-2.9	108.6	N208 I239 A240 T241 P249	N208-R252 PolarHBondContact OD1-NH2 2.82Å; I239-R252 HydrophobicContact CG2-CB 4.21Å; A240-R252 CarbonylContact O-C 3.55Å; T241-R252 HydrophobicContact CG2-CB 4.19Å; T241-R252 HydrophobicContact CG2-CG 3.84Å; P249-R252 HydrophobicContact CG-CG 3.98Å; P249-R252 VanDerWaalsContact CG-NH1 3.26Å
253	M	98.1	Very high	96.7	Very high	22 Å²	22	72.1 Å²	72.1	11%	0.108	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	135.9	-178.5	-61.9	-63.6	-75.9	0	0	110.1	A240 F242 L251 L278 N280 V282	A240-M253 HydrophobicContact CB-CB 4.44Å; A240-M253 PolarHBondContact N-O 2.9Å; A240-M253 PolarHBondContact O-N 3.3Å; F242-M253 HydrophobicContact CD2-CG 4.26Å; F242-M253 HydrophobicContact CE2-CB 4.11Å; F242-M253 HydrophobicContact CE2-CG 3.57Å; F242-M253 HydrophobicContact CZ-CG 4.5Å; L251-M253 HydrophobicContact CD1-SD 3.98Å; L251-M253 HydrophobicContact CD2-CG 3.94Å; L251-M253 HydrophobicContact CD2-SD 3.93Å; L251-M253 HydrophobicContact CG-CG 3.94Å; L251-M253 HydrophobicContact CG-SD 3.96Å; M253-L278 HydrophobicContact CB-CD1 4.5Å; M253-L278 HydrophobicContact CB-CD2 3.83Å; M253-N280 HydrophobicContact CE-CB 3.9Å; M253-N280 WeakPolarHBondContact CE-O 3.23Å; M253-V282 HydrophobicContact CE-CG2 3.93Å; M253-V282 HydrophobicContact CG-CG2 4.06Å; M253-V282 HydrophobicContact SD-CG2 4.41Å
254	R	98.3	Very high	96.9	Very high	197 Å²	197	73.7 Å²	73.7	74%	0.743	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.4	149.5	171.4	-69.7	-177.5	178.8	159.4	0.1	110.4	E279	R254-E279 HydrophobicContact CB-CB 3.91Å; R254-E279 PolarHBondContact O-N 2.85Å
255	V	98.6	Very high	97.1	Very high	9 Å²	9	75.1 Å²	75.1	6%	0.055	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	128.5	175.5	177.6	0	0	0	0	109.8	P235 W238 I258 V276	P235-V255 HydrophobicContact CB-CG1 4.05Å; W238-V255 HydrophobicContact CB-CB 4.2Å; W238-V255 HydrophobicContact CB-CG2 3.92Å; V255-I258 HydrophobicContact CG1-CD1 4.38Å; V255-I258 HydrophobicContact CG1-CG1 3.86Å; V255-V276 HydrophobicContact CB-CG1 4.19Å; V255-V276 HydrophobicContact CG1-CG1 3.45Å; V255-V276 VanDerWaalsContact CG1-CG1 3.45Å; V255-V276 HydrophobicContact CG2-CG1 3.65Å
256	R	98.5	Very high	97.1	Very high	138 Å²	138	76.1 Å²	76.1	52%	0.521	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	-46.3	176.5	-175.1	170.1	174.4	170.6	2.1	112.2	R277 E279	R256-R277 HydrophobicContact CB-CB 4.46Å; R256-R277 WeakPolarHBondContact CB-O 3.27Å; R256-R277 PolarHBondContact N-O 2.87Å; R256-E279 WeakPolarHBondContact CA-OE2 3.45Å; R256-E279 VanDerWaalsContact CB-OE2 3.29Å; R256-E279 WeakPolarHBondContact CB-OE2 3.15Å
257	S	98.5	Very high	97.2	Very high	32 Å²	32	79.9 Å²	79.9	22%	0.224	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	148.4	-176.2	60.4	0	0	0	0	111.4	R277	S257-R277 PolarHBondContact N-O 2.94Å; S257-R277 PolarHBondContact O-N 3.04Å; S257-R277 VanDerWaalsContact OG-CB 3.26Å; S257-R277 WeakPolarHBondContact OG-CB 3.29Å
258	I	98.8	Very high	97.3	Very high	25 Å²	25	74 Å²	74	13%	0.128	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	127.1	174.9	-62	163.4	0	0	0	107	F229 P235 W238 V255 I260 L275 V276	F229-I258 HydrophobicContact CB-CG2 4.27Å; F229-I258 HydrophobicContact CD1-CD1 3.73Å; F229-I258 HydrophobicContact CD1-CG1 4.42Å; F229-I258 HydrophobicContact CD1-CG2 3.86Å; F229-I258 HydrophobicContact CD2-CG2 3.59Å; F229-I258 HydrophobicContact CE1-CD1 3.72Å; F229-I258 HydrophobicContact CE1-CG1 4.18Å; F229-I258 HydrophobicContact CE1-CG2 4.05Å; F229-I258 HydrophobicContact CE2-CG2 3.77Å; F229-I258 HydrophobicContact CG-CG2 3.61Å; F229-I258 HydrophobicContact CZ-CG2 4Å; P235-I258 HydrophobicContact CG-CD1 4.46Å; P235-I258 HydrophobicContact CG-CG1 4.47Å; W238-I258 HydrophobicContact CB-CD1 4.42Å; W238-I258 HydrophobicContact CG-CD1 3.95Å; V255-I258 HydrophobicContact CG1-CD1 4.38Å; V255-I258 HydrophobicContact CG1-CG1 3.86Å; I258-I260 HydrophobicContact CG2-CG1 4.26Å; I258-L275 CarbonylContact C-O 3.54Å; I258-L275 WeakPolarHBondContact CA-O 3.35Å; I258-V276 HydrophobicContact CG1-CG2 4.45Å
259	L	98.5	Very high	97.4	Very high	55 Å²	55	70.5 Å²	70.5	29%	0.288	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	101.5	180	-55.3	179.4	0	0	0	108.8	W221 A274 L275 R415	W221-L259 HydrophobicContact CH2-CD1 3.75Å; W221-L259 HydrophobicContact CZ3-CD1 3.91Å; L259-A274 CarbonylContact O-C 3.42Å; L259-A274 VanDerWaalsContact O-CA 3.24Å; L259-A274 WeakPolarHBondContact O-CA 3.23Å; L259-A274 WeakPolarHBondContact O-CB 3.34Å; L259-L275 HydrophobicContact CB-CB 4.23Å; L259-L275 PolarHBondContact N-O 3.39Å; L259-L275 PolarHBondContact O-N 3.27Å; L259-R415 HydrophobicContact CD1-CB 4.43Å
260	I	98.6	Very high	97.5	Very high	55 Å²	55	73 Å²	73	28%	0.282	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	142.5	174.5	-58.7	172	0	0	0	108.6	A226 F229 I258 N262 Y264 A274	A226-I260 HydrophobicContact CB-CG2 3.73Å; F229-I260 HydrophobicContact CB-CD1 3.75Å; F229-I260 HydrophobicContact CB-CG1 4.23Å; F229-I260 HydrophobicContact CD2-CG1 4.41Å; I258-I260 HydrophobicContact CG2-CG1 4.26Å; I260-N262 PolarHBondContact O-N 3.42Å; I260-Y264 HydrophobicContact CG2-CD1 4.38Å; I260-Y264 HydrophobicContact CG2-CG 4.49Å; I260-A274 HydrophobicContact CG1-CB 4.44Å
261	H	98.3	Very high	97.6	Very high	22 Å²	22	66.7 Å²	66.7	10%	0.102	34%	0.336	C	S	.	.			trans	-58.6	127.4	173.8	-166.7	-81.7	0	0	0	111.1	N263 Y264 N271 I273 W411	H261-N263 PolarHBondContact ND1-N 2.85Å; H261-N263 PolarHBondContact O-N 3.11Å; H261-Y264 WeakPolarHBondContact O-CB 3.05Å; H261-Y264 PolarHBondContact O-N 2.68Å; H261-N271 HydrophobicContact CB-CB 4.35Å; H261-N271 WeakPolarHBondContact ND1-CB 3.43Å; H261-I273 HydrophobicContact CB-CG2 3.65Å; H261-I273 WeakPolarHBondContact CB-O 3.45Å; H261-I273 PolarHBondContact N-O 3.44Å; H261-W411 HydrophobicContact CB-CZ2 4.14Å; H261-W411 AromaticContact CD2-CD1 3.49Å; H261-W411 VanDerWaalsContact CD2-CD1 3.49Å; H261-W411 AromaticContact CD2-CD2 3.63Å; H261-W411 AromaticContact CD2-CE2 3.52Å; H261-W411 AromaticContact CD2-CG 3.64Å; H261-W411 AromaticContact CD2-NE1 3.4Å; H261-W411 PolarHBondContact CD2-NE1 3.2Å; H261-W411 AromaticContact NE2-CD1 3.6Å; H261-W411 AromaticContact NE2-CG 3.89Å; H261-W411 AromaticContact NE2-NE1 3.92Å
262	N	96.6	Very high	97.7	Very high	124 Å²	124	64.2 Å²	64.2	66%	0.663	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-28.1	-172.6	-69.1	12.5	0	0	0	113.9	I260	I260-N262 PolarHBondContact O-N 3.42Å
263	N	97.6	Very high	97.8	Very high	110 Å²	110	58.9 Å²	58.9	59%	0.588	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	20.9	-179.3	-57.2	-17	0	0	0	112.7	H261 V265 N271	H261-N263 PolarHBondContact ND1-N 2.85Å; H261-N263 PolarHBondContact O-N 3.11Å; N263-V265 PolarHBondContact O-N 3.33Å; N263-N271 WeakPolarHBondContact CB-ND2 3.4Å; N263-N271 PolarHBondContact O-ND2 3.29Å
264	Y	98.2	Very high	97.8	Very high	44 Å²	44	57.8 Å²	57.8	17%	0.173	30%	0.297	C	S	.	.			trans	-61.4	123.7	175.8	171.5	-117.9	0	0	0	111.1	A226 H227 I260 H261 E270 D272	A226-Y264 HydrophobicContact CB-CD1 3.85Å; A226-Y264 HydrophobicContact CB-CD2 3.59Å; A226-Y264 HydrophobicContact CB-CE1 4.19Å; A226-Y264 HydrophobicContact CB-CE2 3.95Å; A226-Y264 HydrophobicContact CB-CG 3.53Å; H227-Y264 WeakPolarHBondContact CB-OH 3.37Å; I260-Y264 HydrophobicContact CG2-CD1 4.38Å; I260-Y264 HydrophobicContact CG2-CG 4.49Å; H261-Y264 WeakPolarHBondContact O-CB 3.05Å; H261-Y264 PolarHBondContact O-N 2.68Å; Y264-E270 WeakPolarHBondContact CA-O 3.41Å; Y264-E270 WeakPolarHBondContact CD2-O 3.36Å; Y264-D272 HydrophobicContact CD2-CB 4.15Å; Y264-D272 HydrophobicContact CE2-CB 3.84Å
265	V	97.5	Very high	97.8	Very high	60 Å²	60	48.4 Å²	48.4	36%	0.364	26%	0.262	S	S	.	.	B	Isolated β-bridge	trans	-112.7	104.4	179.6	-176.2	0	0	0	0	109.7	N263 A267 T268 H269 E270	N263-V265 PolarHBondContact O-N 3.33Å; V265-A267 VanDerWaalsContact C-N 3.26Å; V265-A267 HydrophobicContact CG1-CB 4.5Å; V265-A267 PolarHBondContact O-N 3.27Å; V265-T268 WeakPolarHBondContact CB-OG1 3.37Å; V265-T268 HydrophobicContact CG1-CG2 4.48Å; V265-T268 WeakPolarHBondContact CG1-OG1 3.33Å; V265-T268 PolarHBondContact O-N 3.48Å; V265-T268 PolarHBondContact O-OG1 2.81Å; V265-H269 WeakPolarHBondContact O-CA 3.29Å; V265-H269 PolarHBondContact O-N 3.43Å; V265-E270 HydrophobicContact CB-CB 4.19Å; V265-E270 HydrophobicContact CG2-CB 4.48Å; V265-E270 PolarHBondContact N-O 3.12Å; V265-E270 PolarHBondContact O-N 3.35Å
266	S	95.3	Very high	97.9	Very high	31 Å²	31	48 Å²	48	22%	0.217	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-26.9	-174.1	-160.1	0	0	0	0	114.9	R230	R230-S266 VanDerWaalsContact CD-OG 3.27Å; R230-S266 WeakPolarHBondContact CD-OG 3.45Å; R230-S266 PolarHBondContact NE-OG 2.98Å; R230-S266 VanDerWaalsContact NE-OG 3.13Å; R230-S266 PolarHBondContact NH1-OG 3.32Å
267	A	95.3	Very high	97.9	Very high	93 Å²	93	45.9 Å²	45.9	77%	0.769	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-33.6	179.6	0	0	0	0	0	112.7	V265	V265-A267 VanDerWaalsContact C-N 3.26Å; V265-A267 HydrophobicContact CG1-CB 4.5Å; V265-A267 PolarHBondContact O-N 3.27Å
268	T	96.1	Very high	97.9	Very high	62 Å²	62	44.4 Å²	44.4	38%	0.38	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-7.3	-175.3	56.1	0	0	0	0	112.9	V265 E270 M351	V265-T268 WeakPolarHBondContact CB-OG1 3.37Å; V265-T268 HydrophobicContact CG1-CG2 4.48Å; V265-T268 WeakPolarHBondContact CG1-OG1 3.33Å; V265-T268 PolarHBondContact O-N 3.48Å; V265-T268 PolarHBondContact O-OG1 2.81Å; T268-E270 PolarHBondContact O-N 3.2Å; T268-E270 WeakPolarHBondContact OG1-CB 3.46Å; T268-E270 PolarHBondContact OG1-N 3.18Å; T268-M351 WeakPolarHBondContact O-CE 3.34Å
269	H	97	Very high	97.8	Very high	56 Å²	56	47.7 Å²	47.7	26%	0.259	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	22.4	-168.3	-54.7	81.1	0	0	0	113.1	V265 D272 M351 W389	V265-H269 WeakPolarHBondContact O-CA 3.29Å; V265-H269 PolarHBondContact O-N 3.43Å; H269-D272 WeakPolarHBondContact O-CB 3.42Å; H269-M351 HydrophobicContact CB-CE 4.3Å; H269-M351 WeakPolarHBondContact O-CE 3.28Å; H269-W389 VanDerWaalsContact CB-CD1 3.46Å; H269-W389 HydrophobicContact CB-CG 4.24Å; H269-W389 AromaticContact CG-CD1 3.66Å; H269-W389 AromaticContact CG-CG 3.96Å
270	E	97.6	Very high	97.8	Very high	76 Å²	76	50.4 Å²	50.4	36%	0.355	27%	0.271	S	S	.	.	B	Isolated β-bridge	trans	-69.4	139.7	174.4	-164.4	179	-168.9	0	0	110.4	Y264 V265 T268 D272 L348	Y264-E270 WeakPolarHBondContact CA-O 3.41Å; Y264-E270 WeakPolarHBondContact CD2-O 3.36Å; V265-E270 HydrophobicContact CB-CB 4.19Å; V265-E270 HydrophobicContact CG2-CB 4.48Å; V265-E270 PolarHBondContact N-O 3.12Å; V265-E270 PolarHBondContact O-N 3.35Å; T268-E270 PolarHBondContact O-N 3.2Å; T268-E270 WeakPolarHBondContact OG1-CB 3.46Å; T268-E270 PolarHBondContact OG1-N 3.18Å; E270-D272 VanDerWaalsContact C-N 3.25Å; E270-D272 PolarHBondContact O-N 3.38Å; E270-L348 HydrophobicContact CB-CD1 3.57Å; E270-L348 HydrophobicContact CG-CD1 3.56Å
271	N	98.3	Very high	97.8	Very high	25 Å²	25	51.1 Å²	51.1	13%	0.134	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	37.5	-177	-48.7	-60.1	0	0	0	113.4	H261 N263 I273 Y408	H261-N271 HydrophobicContact CB-CB 4.35Å; H261-N271 WeakPolarHBondContact ND1-CB 3.43Å; N263-N271 WeakPolarHBondContact CB-ND2 3.4Å; N263-N271 PolarHBondContact O-ND2 3.29Å; N271-I273 PolarHBondContact O-N 2.89Å; N271-Y408 VanDerWaalsContact CA-OH 3.27Å; N271-Y408 WeakPolarHBondContact CA-OH 3.19Å; N271-Y408 HydrophobicContact CB-CE1 4.07Å; N271-Y408 PolarHBondContact N-OH 3.35Å; N271-Y408 VanDerWaalsContact OD1-CE1 3.28Å; N271-Y408 WeakPolarHBondContact OD1-CE1 3.26Å; N271-Y408 PolarHBondContact OD1-OH 2.91Å
272	D	98.8	Very high	97.7	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.278	C	S	.	.			trans	-74.6	71.5	178.7	-172.5	25.9	0	0	0	112.4	A226 H227 Y264 H269 E270 S388 T403	A226-D272 WeakPolarHBondContact CA-OD1 3.27Å; A226-D272 WeakPolarHBondContact CB-OD1 3.45Å; A226-D272 PolarHBondContact N-OD1 2.87Å; H227-D272 IonicContact CE1-OD2 2.83Å; H227-D272 IonicContact CG-OD1 2.88Å; H227-D272 IonicContact CG-OD2 2.81Å; H227-D272 PolarHBondContact N-OD1 3.24Å; H227-D272 IonicContact ND1-OD1 3.31Å; H227-D272 PolarHBondContact ND1-OD1 3.33Å; H227-D272 IonicContact ND1-OD2 3.53Å; H227-D272 PolarHBondContact ND1-OD2 3.42Å; Y264-D272 HydrophobicContact CD2-CB 4.15Å; Y264-D272 HydrophobicContact CE2-CB 3.84Å; H269-D272 WeakPolarHBondContact O-CB 3.42Å; E270-D272 VanDerWaalsContact C-N 3.25Å; E270-D272 PolarHBondContact O-N 3.38Å; D272-S388 WeakPolarHBondContact OD2-CB 3.38Å; D272-S388 PolarHBondContact OD2-OG 2.9Å; D272-T403 PolarHBondContact O-OG1 2.77Å
273	I	98.9	Very high	97.7	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.28	C	S	.	.			trans	-144.1	139.4	-178.7	-166.8	171.4	0	0	0	111.1	L223 T224 H261 N271 I386 T403 Y408 W411 I412	L223-I273 HydrophobicContact CD1-CD1 3.91Å; L223-I273 HydrophobicContact CD1-CG1 3.88Å; L223-I273 HydrophobicContact CD2-CD1 4.41Å; L223-I273 HydrophobicContact CG-CD1 4.44Å; L223-I273 HydrophobicContact CG-CG1 4.42Å; T224-I273 WeakPolarHBondContact O-CA 3.16Å; H261-I273 HydrophobicContact CB-CG2 3.65Å; H261-I273 WeakPolarHBondContact CB-O 3.45Å; H261-I273 PolarHBondContact N-O 3.44Å; N271-I273 PolarHBondContact O-N 2.89Å; I273-I386 HydrophobicContact CD1-CD1 3.92Å; I273-I386 HydrophobicContact CG1-CD1 3.74Å; I273-T403 HydrophobicContact CB-CG2 4.25Å; I273-Y408 HydrophobicContact CD1-CD2 4.2Å; I273-Y408 HydrophobicContact CD1-CG 3.84Å; I273-Y408 HydrophobicContact CG2-CD1 3.8Å; I273-Y408 HydrophobicContact CG2-CE1 4.12Å; I273-Y408 HydrophobicContact CG2-CG 4.12Å; I273-W411 HydrophobicContact CD1-CE3 4.19Å; I273-W411 HydrophobicContact CD1-CZ3 4.03Å; I273-W411 HydrophobicContact CG1-CZ3 3.91Å; I273-W411 HydrophobicContact CG2-CE3 4.26Å; I273-W411 HydrophobicContact CG2-CH2 4.39Å; I273-W411 HydrophobicContact CG2-CZ3 4.05Å; I273-I412 HydrophobicContact CD1-CD1 4.29Å; I273-I412 HydrophobicContact CD1-CG1 4.36Å
274	A	98.9	Very high	97.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	155.7	174.6	0	0	0	0	0	111.7	T224 F229 L259 I260	T224-A274 HydrophobicContact CG2-CB 4.25Å; T224-A274 PolarHBondContact N-O 2.93Å; T224-A274 PolarHBondContact O-N 2.8Å; F229-A274 HydrophobicContact CD2-CB 3.83Å; F229-A274 HydrophobicContact CE2-CB 3.73Å; L259-A274 CarbonylContact O-C 3.42Å; L259-A274 VanDerWaalsContact O-CA 3.24Å; L259-A274 WeakPolarHBondContact O-CA 3.23Å; L259-A274 WeakPolarHBondContact O-CB 3.34Å; I260-A274 HydrophobicContact CG1-CB 4.44Å
275	L	98.9	Very high	97.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	136.3	174.2	-75.4	161.1	0	0	0	109.9	I217 W221 I222 L223 I258 L259 W411 R415 T416	I217-L275 HydrophobicContact CD1-CD2 3.78Å; W221-L275 HydrophobicContact CE3-CB 3.96Å; W221-L275 HydrophobicContact CE3-CD2 4.25Å; W221-L275 HydrophobicContact CZ3-CB 3.86Å; I222-L275 WeakPolarHBondContact O-CA 3.46Å; L223-L275 HydrophobicContact CD1-CD2 3.52Å; L223-L275 HydrophobicContact CD1-CG 4Å; I258-L275 CarbonylContact C-O 3.54Å; I258-L275 WeakPolarHBondContact CA-O 3.35Å; L259-L275 HydrophobicContact CB-CB 4.23Å; L259-L275 PolarHBondContact N-O 3.39Å; L259-L275 PolarHBondContact O-N 3.27Å; L275-W411 HydrophobicContact CB-CH2 4.32Å; L275-W411 HydrophobicContact CD1-CE3 4.25Å; L275-W411 HydrophobicContact CD1-CH2 3.66Å; L275-W411 HydrophobicContact CD1-CZ2 4.37Å; L275-W411 HydrophobicContact CD1-CZ3 3.58Å; L275-W411 HydrophobicContact CG-CH2 3.77Å; L275-W411 HydrophobicContact CG-CZ3 3.7Å; L275-R415 HydrophobicContact CD1-CB 3.49Å; L275-R415 VanDerWaalsContact CD1-CB 3.49Å; L275-R415 HydrophobicContact CD1-CG 4.12Å; L275-T416 HydrophobicContact CD1-CG2 3.55Å; L275-T416 HydrophobicContact CD2-CG2 3.79Å; L275-T416 HydrophobicContact CG-CG2 4.28Å
276	V	98.9	Very high	97.1	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.006	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	119.5	174.2	-179.1	0	0	0	0	108.1	L204 I222 T224 F229 V255 I258	L204-V276 HydrophobicContact CD1-CG2 4.3Å; L204-V276 HydrophobicContact CD2-CG1 4.38Å; L204-V276 HydrophobicContact CD2-CG2 4.35Å; I222-V276 HydrophobicContact CB-CB 4.16Å; I222-V276 PolarHBondContact N-O 3.03Å; I222-V276 PolarHBondContact O-N 3.1Å; T224-V276 HydrophobicContact CG2-CG2 3.98Å; F229-V276 HydrophobicContact CE1-CG2 4.34Å; F229-V276 HydrophobicContact CE2-CG2 3.99Å; F229-V276 HydrophobicContact CZ-CG2 3.43Å; F229-V276 VanDerWaalsContact CZ-CG2 3.43Å; V255-V276 HydrophobicContact CB-CG1 4.19Å; V255-V276 HydrophobicContact CG1-CG1 3.45Å; V255-V276 VanDerWaalsContact CG1-CG1 3.45Å; V255-V276 HydrophobicContact CG2-CG1 3.65Å; I258-V276 HydrophobicContact CG1-CG2 4.45Å
277	R	98.8	Very high	97	Very high	92 Å²	92	50.8 Å²	50.8	35%	0.347	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	127.3	174.1	-163.2	178.4	-178.5	173.9	3.8	109.4	T220 W221 R256 S257	T220-R277 WeakPolarHBondContact O-CA 3.47Å; W221-R277 HydrophobicContact CD2-CB 4.38Å; W221-R277 HydrophobicContact CD2-CG 4.26Å; W221-R277 HydrophobicContact CE3-CB 3.89Å; W221-R277 HydrophobicContact CE3-CG 4.27Å; W221-R277 HydrophobicContact CH2-CB 3.8Å; W221-R277 HydrophobicContact CH2-CG 3.98Å; W221-R277 HydrophobicContact CZ2-CB 4.28Å; W221-R277 HydrophobicContact CZ2-CG 3.94Å; W221-R277 HydrophobicContact CZ3-CB 3.59Å; W221-R277 HydrophobicContact CZ3-CG 4.14Å; R256-R277 HydrophobicContact CB-CB 4.46Å; R256-R277 WeakPolarHBondContact CB-O 3.27Å; R256-R277 PolarHBondContact N-O 2.87Å; S257-R277 PolarHBondContact N-O 2.94Å; S257-R277 PolarHBondContact O-N 3.04Å; S257-R277 VanDerWaalsContact OG-CB 3.26Å; S257-R277 WeakPolarHBondContact OG-CB 3.29Å
278	L	98.8	Very high	97.1	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.01	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	150	173.7	-61.2	178.2	0	0	0	111	L216 T220 I222 A240 F242 M253 N280 V282	L216-L278 HydrophobicContact CD1-CD1 4.38Å; T220-L278 PolarHBondContact O-N 3.37Å; I222-L278 HydrophobicContact CD1-CD1 4.28Å; I222-L278 HydrophobicContact CD1-CD2 3.55Å; I222-L278 HydrophobicContact CD1-CG 4.05Å; A240-L278 HydrophobicContact CB-CD2 3.76Å; F242-L278 HydrophobicContact CZ-CD1 4.08Å; M253-L278 HydrophobicContact CB-CD1 4.5Å; M253-L278 HydrophobicContact CB-CD2 3.83Å; L278-N280 VanDerWaalsContact C-N 3.34Å; L278-N280 WeakPolarHBondContact CB-O 3.12Å; L278-V282 HydrophobicContact CD1-CG2 3.49Å; L278-V282 VanDerWaalsContact CD1-CG2 3.49Å
279	E	98	Very high	97.1	Very high	94 Å²	94	44 Å²	44	44%	0.439	22%	0.223	S	C	.	.	S	Bend	trans	-63.1	-42.1	175	-168	69	-167.1	0	0	111.7	R254 R256	R254-E279 HydrophobicContact CB-CB 3.91Å; R254-E279 PolarHBondContact O-N 2.85Å; R256-E279 WeakPolarHBondContact CA-OE2 3.45Å; R256-E279 VanDerWaalsContact CB-OE2 3.29Å; R256-E279 WeakPolarHBondContact CB-OE2 3.15Å
280	N	97.9	Very high	97.2	Very high	111 Å²	111	41.7 Å²	41.7	59%	0.594	21%	0.214	S	C	*	.	S	Bend	trans	-127.9	158.1	179.9	-63.6	-59.5	0	0	0	110.6	M253 L278	M253-N280 HydrophobicContact CE-CB 3.9Å; M253-N280 WeakPolarHBondContact CE-O 3.23Å; L278-N280 VanDerWaalsContact C-N 3.34Å; L278-N280 WeakPolarHBondContact CB-O 3.12Å
281	S	97.5	Very high	97.2	Very high	71 Å²	71	38.1 Å²	38.1	50%	0.497	20%	0.197	S	C	.	.	P	Polyproline II helix	trans	-70.7	136	174.2	56.9	0	0	0	0	111.8	N219	N219-S281 CarbonylContact O-C 3.57Å; N219-S281 VanDerWaalsContact O-CA 3.3Å; N219-S281 WeakPolarHBondContact O-CA 3.49Å
282	V	96.8	Very high	97.2	Very high	6 Å²	6	37 Å²	37	4%	0.036	19%	0.191	C	C	.	.	P	Polyproline II helix	trans	-77.3	132.3	169.8	177.2	0	0	0	0	109.4	N219 F242 L251 M253 L278 I288	N219-V282 WeakPolarHBondContact CB-O 3.48Å; N219-V282 PolarHBondContact O-N 3.15Å; F242-V282 HydrophobicContact CE2-CG2 4.17Å; F242-V282 HydrophobicContact CZ-CG2 3.97Å; L251-V282 HydrophobicContact CD2-CG1 3.86Å; L251-V282 HydrophobicContact CD2-CG2 4.14Å; M253-V282 HydrophobicContact CE-CG2 3.93Å; M253-V282 HydrophobicContact CG-CG2 4.06Å; M253-V282 HydrophobicContact SD-CG2 4.41Å; L278-V282 HydrophobicContact CD1-CG2 3.49Å; L278-V282 VanDerWaalsContact CD1-CG2 3.49Å; V282-I288 HydrophobicContact CG1-CG2 3.57Å
283	T	96.1	Very high	97.1	Very high	115 Å²	115	37.6 Å²	37.6	71%	0.706	19%	0.194	S	C	*	.	P	Polyproline II helix	trans	-77.1	123.1	168.1	-57.9	0	0	0	0	108.7
284	F	96.2	Very high	96.9	Very high	45 Å²	45	37.6 Å²	37.6	20%	0.197	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-69.6	135	177.6	-66.5	-18.4	0	0	0	111.7	I170 L216 N219 I288 H289	I170-F284 HydrophobicContact CG2-CB 3.66Å; L216-F284 HydrophobicContact CD2-CE1 3.98Å; N219-F284 HydrophobicContact CB-CE1 3.97Å; N219-F284 HydrophobicContact CB-CZ 4.05Å; F284-I288 CarbonylContact C-O 3.34Å; F284-I288 VanDerWaalsContact CA-O 3.23Å; F284-I288 WeakPolarHBondContact CA-O 3.22Å; F284-H289 HydrophobicContact CB-CB 3.91Å; F284-H289 HydrophobicContact CD1-CB 3.93Å; F284-H289 HydrophobicContact CD2-CB 4.17Å; F284-H289 HydrophobicContact CE1-CB 4.45Å; F284-H289 HydrophobicContact CG-CB 3.77Å
285	T	94.1	Very high	96.6	Very high	58 Å²	58	38.4 Å²	38.4	36%	0.356	20%	0.201	S	C	.	.			trans	-132.4	-178.9	177.2	71.2	0	0	0	0	109	I170 D287 I288 H289	I170-T285 WeakPolarHBondContact CG2-O 3.49Å; T285-D287 PolarHBondContact O-N 2.9Å; T285-D287 PolarHBondContact OG1-N 3.3Å; T285-I288 PolarHBondContact N-O 3.13Å; T285-I288 PolarHBondContact OG1-N 3.05Å; T285-H289 PolarHBondContact O-CD2 3.3Å; T285-H289 VanDerWaalsContact O-CD2 3.26Å
286	R	91.6	Very high	96.4	Very high	104 Å²	104	40.8 Å²	40.8	39%	0.392	22%	0.221	S	C	.	.	S	Bend	trans	-61.1	-29	173.8	-72.4	179.9	178.2	-171.8	-0.8	112.9	I170 I180	I170-R286 HydrophobicContact CD1-CB 4.37Å; I170-R286 HydrophobicContact CD1-CG 3.64Å; I180-R286 HydrophobicContact CG2-CG 4.38Å
287	D	92.9	Very high	96	Very high	55 Å²	55	47.2 Å²	47.2	29%	0.294	26%	0.26	S	S	.	.	S	Bend	trans	-103	-11.1	-172.7	-46.4	-42.4	0	0	0	112.5	E195 P199 T285	E195-D287 HydrophobicContact CG-CB 4.46Å; P199-D287 VanDerWaalsContact CA-O 3.28Å; P199-D287 WeakPolarHBondContact CA-O 3.39Å; P199-D287 VanDerWaalsContact CB-C 3.48Å; P199-D287 WeakPolarHBondContact CB-O 3.24Å; T285-D287 PolarHBondContact O-N 2.9Å; T285-D287 PolarHBondContact OG1-N 3.3Å
288	I	96.6	Very high	95.6	Very high	12 Å²	12	44.2 Å²	44.2	6%	0.062	25%	0.25	C	S	.	.	S	Bend	trans	-141.4	104.1	-176.9	-51.6	175.4	0	0	0	109.5	P199 L216 F242 R250 L251 V282 F284 T285	P199-I288 WeakPolarHBondContact O-CA 3.37Å; L216-I288 HydrophobicContact CD2-CG2 4.08Å; F242-I288 HydrophobicContact CB-CD1 3.7Å; F242-I288 HydrophobicContact CB-CG1 3.99Å; F242-I288 HydrophobicContact CB-CG2 4.23Å; F242-I288 HydrophobicContact CD1-CG2 3.68Å; F242-I288 HydrophobicContact CE1-CG2 4.26Å; F242-I288 HydrophobicContact CG-CD1 4.37Å; F242-I288 HydrophobicContact CG-CG2 4.02Å; R250-I288 HydrophobicContact CB-CD1 4.24Å; L251-I288 HydrophobicContact CB-CD1 3.8Å; L251-I288 HydrophobicContact CD2-CD1 4.16Å; V282-I288 HydrophobicContact CG1-CG2 3.57Å; F284-I288 CarbonylContact C-O 3.34Å; F284-I288 VanDerWaalsContact CA-O 3.23Å; F284-I288 WeakPolarHBondContact CA-O 3.22Å; T285-I288 PolarHBondContact N-O 3.13Å; T285-I288 PolarHBondContact OG1-N 3.05Å
289	H	97.3	Very high	95.1	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.282	C	S	.	.			trans	-163.2	170.5	171.8	64.8	83.8	0	0	0	111.3	I170 A175 P199 W200 F284 T285	I170-H289 HydrophobicContact CG2-CB 3.84Å; A175-H289 PolarHBondContact O-CE1 3.2Å; A175-H289 PolarHBondContact O-NE2 3.3Å; A175-H289 VanDerWaalsContact O-NE2 3.09Å; P199-H289 CarbonylContact C-O 3.54Å; P199-H289 WeakPolarHBondContact CG-CE1 3.37Å; P199-H289 WeakPolarHBondContact CG-NE2 3.38Å; P199-H289 PolarHBondContact O-N 3.26Å; W200-H289 VanDerWaalsContact CA-O 3.26Å; W200-H289 WeakPolarHBondContact CA-O 3.34Å; W200-H289 WeakPolarHBondContact CB-O 3.43Å; W200-H289 PolarHBondContact N-O 3.17Å; F284-H289 HydrophobicContact CB-CB 3.91Å; F284-H289 HydrophobicContact CD1-CB 3.93Å; F284-H289 HydrophobicContact CD2-CB 4.17Å; F284-H289 HydrophobicContact CE1-CB 4.45Å; F284-H289 HydrophobicContact CG-CB 3.77Å; T285-H289 PolarHBondContact O-CD2 3.3Å; T285-H289 VanDerWaalsContact O-CD2 3.26Å
290	S	97.7	Very high	94.9	Very high	9 Å²	9	46.2 Å²	46.2	6%	0.063	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-76.5	150.9	-168.5	51.8	0	0	0	0	114.4	C173 G174 L216	C173-S290 CarbonylContact C-O 3.35Å; C173-S290 WeakPolarHBondContact CA-O 3.32Å; G174-S290 PolarHBondContact N-O 3.26Å; L216-S290 CarbonylContact O-C 3.58Å; L216-S290 WeakPolarHBondContact O-CA 3.38Å; L216-S290 WeakPolarHBondContact O-CB 3.06Å
291	V	98.3	Very high	94.7	Very high	1 Å²	1	44 Å²	44	1%	0.006	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-83.1	154.6	164.6	69.8	0	0	0	0	111	W200 L216 I217 V373 W381 L383	W200-V291 HydrophobicContact CB-CB 3.79Å; W200-V291 HydrophobicContact CB-CG1 4.3Å; W200-V291 HydrophobicContact CD2-CB 3.63Å; W200-V291 HydrophobicContact CD2-CG2 3.9Å; W200-V291 HydrophobicContact CE3-CB 3.98Å; W200-V291 HydrophobicContact CE3-CG2 4.29Å; W200-V291 HydrophobicContact CG-CB 3.56Å; W200-V291 HydrophobicContact CG-CG1 4.35Å; W200-V291 HydrophobicContact CG-CG2 4.17Å; W200-V291 HydrophobicContact CZ2-CG2 4.39Å; L216-V291 PolarHBondContact O-N 3.34Å; I217-V291 HydrophobicContact CG2-CG1 4.14Å; V291-V373 HydrophobicContact CG2-CG1 3.83Å; V291-W381 WeakPolarHBondContact CG2-O 3.14Å; V291-L383 HydrophobicContact CG1-CB 3.78Å; V291-L383 HydrophobicContact CG1-CD2 4.1Å; V291-L383 HydrophobicContact CG1-CG 4.45Å; V291-L383 HydrophobicContact CG2-CB 4.09Å
292	C	97.5	Very high	94.6	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.007	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-76.1	142	172.4	-65.8	0	0	0	0	112	C173 W381 F382 L383	C173-C292 HydrophobicContact CB-CB 3.91Å; C173-C292 WeakPolarHBondContact CB-SG 3.39Å; C173-C292 PolarHBondContact O-SG 3.18Å; C173-C292 WeakPolarHBondContact SG-CA 3.45Å; C173-C292 WeakPolarHBondContact SG-CB 3.26Å; C173-C292 CovalentContact SG-SG 2.04Å; C173-C292 PolarHBondContact SG-SG 3.41Å; C292-W381 WeakPolarHBondContact CB-O 3.05Å; C292-W381 PolarHBondContact N-O 3.22Å; C292-W381 VanDerWaalsContact N-O 3.11Å; C292-F382 HydrophobicContact CB-CD1 3.38Å; C292-F382 HydrophobicContact CB-CD2 4.4Å; C292-F382 HydrophobicContact CB-CE1 3.29Å; C292-F382 HydrophobicContact CB-CE2 4.33Å; C292-F382 HydrophobicContact CB-CG 3.95Å; C292-F382 HydrophobicContact CB-CZ 3.79Å; C292-F382 CarbonylContact O-C 3.42Å; C292-F382 WeakPolarHBondContact O-CA 3.37Å; C292-L383 PolarHBondContact O-N 3.37Å
293	L	97.3	Very high	94.5	Very high	12 Å²	12	47.9 Å²	47.9	6%	0.063	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-88.2	136.4	165.8	-70	174.2	0	0	0	110	A69 I217 L223 L383 V405 I412 I418	A69-L293 WeakPolarHBondContact CB-O 3.31Å; I217-L293 HydrophobicContact CB-CD1 4.37Å; I217-L293 HydrophobicContact CB-CG 4.41Å; I217-L293 HydrophobicContact CD1-CD1 4.23Å; I217-L293 HydrophobicContact CG2-CD2 3.88Å; I217-L293 HydrophobicContact CG2-CG 4.23Å; L223-L293 HydrophobicContact CD2-CD2 4.14Å; L293-L383 HydrophobicContact CD2-CD2 4.29Å; L293-V405 HydrophobicContact CD2-CG1 4.05Å; L293-I412 HydrophobicContact CD1-CG2 3.68Å; L293-I412 HydrophobicContact CD2-CD1 4.26Å; L293-I418 HydrophobicContact CD1-CG2 4Å
294	P	95.4	Very high	94.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-69.3	157.5	176.2	30.6	-36.3	0	0	0	111.4	Q298 L383 V405 T406 R409	P294-Q298 HydrophobicContact CB-CB 4.07Å; P294-Q298 HydrophobicContact CB-CG 4.3Å; P294-L383 WeakPolarHBondContact CD-O 3.27Å; P294-L383 WeakPolarHBondContact CG-O 3.22Å; P294-V405 HydrophobicContact CG-CB 4.29Å; P294-V405 HydrophobicContact CG-CG1 3.93Å; P294-T406 HydrophobicContact CB-CG2 3.85Å; P294-T406 HydrophobicContact CG-CG2 3.73Å; P294-R409 WeakPolarHBondContact O-CD 3.28Å; P294-R409 PolarHBondContact O-NE 2.95Å
295	A	92.8	Very high	94.4	Very high	18 Å²	18	44.1 Å²	44.1	15%	0.149	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-67.6	152.3	166.4	0	0	0	0	0	109.8	A69 T297 Q298 T406	A69-A295 HydrophobicContact CB-CB 4.48Å; A295-T297 PolarHBondContact O-N 3.23Å; A295-T297 VanDerWaalsContact O-N 3.15Å; A295-Q298 HydrophobicContact CB-CB 4.26Å; A295-Q298 VanDerWaalsContact O-CB 3.23Å; A295-Q298 WeakPolarHBondContact O-CB 3.32Å; A295-Q298 PolarHBondContact O-N 2.84Å; A295-T406 WeakPolarHBondContact O-CG2 3Å
296	A	93.3	Very high	94.4	Very high	50 Å²	50	41.4 Å²	41.4	41%	0.413	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-31.9	178.1	0	0	0	0	0	112.4	R409	A296-R409 HydrophobicContact CB-CB 3.99Å; A296-R409 HydrophobicContact CB-CG 4.34Å
297	T	90.7	Very high	94.6	Very high	135 Å²	135	37.3 Å²	37.3	83%	0.828	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	2.3	179.5	55.1	0	0	0	0	113.8	A295 N299	A295-T297 PolarHBondContact O-N 3.23Å; A295-T297 VanDerWaalsContact O-N 3.15Å; T297-N299 PolarHBondContact O-N 2.85Å
298	Q	90.1	Very high	94.8	Very high	30 Å²	30	34.9 Å²	34.9	14%	0.14	22%	0.217	C	C	.	.			trans	-66	125.8	-178.5	178.1	173.4	-27.7	0	0	110.5	P294 A295 T406	P294-Q298 HydrophobicContact CB-CB 4.07Å; P294-Q298 HydrophobicContact CB-CG 4.3Å; A295-Q298 HydrophobicContact CB-CB 4.26Å; A295-Q298 VanDerWaalsContact O-CB 3.23Å; A295-Q298 WeakPolarHBondContact O-CB 3.32Å; A295-Q298 PolarHBondContact O-N 2.84Å; Q298-T406 HydrophobicContact CB-CG2 4.38Å
299	N	89	Confident	94.7	Very high	128 Å²	128	34.4 Å²	34.4	68%	0.684	21%	0.214	S	C	*	.			trans	-72.2	139	173.5	-169.3	22.2	0	0	0	111	T297	T297-N299 PolarHBondContact O-N 2.85Å
300	I	93.5	Very high	94.7	Very high	10 Å²	10	34.6 Å²	34.6	5%	0.051	22%	0.216	C	C	.	.			trans	-112.3	97.5	173.5	-59.3	169.7	0	0	0	106	L302 I331 L352 V384 T406	I300-L302 PolarHBondContact O-N 3.4Å; I300-I331 HydrophobicContact CG2-CD1 4.04Å; I300-I331 HydrophobicContact CG2-CG1 3.9Å; I300-I331 HydrophobicContact CG2-CG2 3.96Å; I300-L352 HydrophobicContact CD1-CD2 4.13Å; I300-V384 HydrophobicContact CD1-CB 3.93Å; I300-V384 HydrophobicContact CD1-CG1 4.35Å; I300-V384 HydrophobicContact CG1-CB 4.32Å; I300-V384 HydrophobicContact CG1-CG1 4.23Å; I300-T406 HydrophobicContact CD1-CG2 4.15Å
301	P	93.9	Very high	94.6	Very high	65 Å²	65	34.2 Å²	34.2	42%	0.422	21%	0.213	S	C	.	.			trans	-63.9	135.2	-171.2	-21.3	32.8	0	0	0	112.3	S304	P301-S304 VanDerWaalsContact O-CB 3.32Å; P301-S304 WeakPolarHBondContact O-CB 3.31Å; P301-S304 PolarHBondContact O-N 3.03Å; P301-S304 PolarHBondContact O-OG 3.33Å
302	L	95.5	Very high	94.2	Very high	116 Å²	116	34.4 Å²	34.4	61%	0.607	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	144.2	174.7	-57.9	178.1	0	0	0	110.9	I300 S304 I331	I300-L302 PolarHBondContact O-N 3.4Å; L302-S304 PolarHBondContact O-N 3.1Å; L302-S304 VanDerWaalsContact O-N 3.09Å; L302-I331 HydrophobicContact CD2-CG2 4.12Å
303	G	94.9	Very high	93.6	Very high	42 Å²	42	34.6 Å²	34.6	43%	0.433	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	-4.6	-177.5	0	0	0	0	0	115	R330 I331	G303-R330 WeakPolarHBondContact O-CD 3.5Å; G303-R330 PolarHBondContact O-NH1 2.94Å; G303-I331 PolarHBondContact N-O 2.8Å
304	S	94.9	Very high	92.9	Very high	29 Å²	29	41.1 Å²	41.1	20%	0.203	25%	0.247	C	C	.	.			trans	-67	149.6	173.8	63.5	0	0	0	0	111	P301 L302 R330 I331 Q374	P301-S304 VanDerWaalsContact O-CB 3.32Å; P301-S304 WeakPolarHBondContact O-CB 3.31Å; P301-S304 PolarHBondContact O-N 3.03Å; P301-S304 PolarHBondContact O-OG 3.33Å; L302-S304 PolarHBondContact O-N 3.1Å; L302-S304 VanDerWaalsContact O-N 3.09Å; S304-R330 WeakPolarHBondContact O-CA 3.39Å; S304-I331 PolarHBondContact O-N 2.85Å; S304-I331 VanDerWaalsContact O-N 3.07Å; S304-Q374 PolarHBondContact OG-NE2 3.39Å
305	T	94.7	Very high	92.3	Very high	52 Å²	52	47.7 Å²	47.7	32%	0.319	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	135.7	177	-51.5	0	0	0	0	109.6	Y307 P328 V329 R330 Q374	T305-Y307 HydrophobicContact CG2-CD2 4.28Å; T305-Y307 HydrophobicContact CG2-CE2 3.77Å; T305-P328 HydrophobicContact CG2-CB 4.1Å; T305-V329 WeakPolarHBondContact CA-O 3.27Å; T305-R330 PolarHBondContact OG1-NH1 2.69Å; T305-R330 PolarHBondContact OG1-NH2 3.47Å; T305-Q374 PolarHBondContact O-NE2 3.48Å
306	A	95.6	Very high	91.8	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	163.4	163.9	0	0	0	0	0	109	P328 V329 I331 L372 V373 Q374	A306-P328 CarbonylContact O-C 3.59Å; A306-P328 WeakPolarHBondContact O-CA 3.38Å; A306-V329 HydrophobicContact CB-CG2 4.19Å; A306-V329 PolarHBondContact N-O 3.22Å; A306-V329 PolarHBondContact O-N 3.05Å; A306-I331 HydrophobicContact CB-CD1 3.94Å; A306-L372 HydrophobicContact CB-CD1 3.69Å; A306-L372 HydrophobicContact CB-CD2 4.39Å; A306-L372 HydrophobicContact CB-CG 3.92Å; A306-V373 CarbonylContact C-O 3.57Å; A306-V373 VanDerWaalsContact CA-O 3.3Å; A306-V373 WeakPolarHBondContact CA-O 3.24Å; A306-Q374 HydrophobicContact CB-CG 3.68Å
307	Y	95.5	Very high	91.5	Very high	18 Å²	18	54.1 Å²	54.1	7%	0.071	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	131.8	175.9	-76.2	-101.3	0	0	0	109.8	I188 W198 T305 A327 P328 L372 V373 W381	I188-Y307 WeakPolarHBondContact CG2-OH 3.29Å; W198-Y307 VanDerWaalsContact CH2-CB 3.48Å; W198-Y307 AromaticContact CH2-CD1 3.93Å; W198-Y307 HydrophobicContact CH2-CD1 3.93Å; W198-Y307 HydrophobicContact CH2-CD2 4.24Å; W198-Y307 AromaticContact CH2-CG 3.62Å; W198-Y307 HydrophobicContact CH2-CG 3.62Å; W198-Y307 AromaticContact CZ2-CD1 3.83Å; W198-Y307 HydrophobicContact CZ2-CD1 3.83Å; W198-Y307 HydrophobicContact CZ2-CG 4Å; T305-Y307 HydrophobicContact CG2-CD2 4.28Å; T305-Y307 HydrophobicContact CG2-CE2 3.77Å; Y307-A327 WeakPolarHBondContact CA-O 3.44Å; Y307-P328 HydrophobicContact CD1-CB 4.37Å; Y307-P328 HydrophobicContact CE1-CB 3.89Å; Y307-L372 WeakPolarHBondContact O-CA 3.5Å; Y307-V373 PolarHBondContact N-O 3.06Å; Y307-V373 PolarHBondContact O-N 2.9Å; Y307-W381 AromaticContact CD2-CH2 3.55Å; Y307-W381 HydrophobicContact CD2-CH2 3.55Å; Y307-W381 AromaticContact CD2-CZ3 3.6Å; Y307-W381 HydrophobicContact CD2-CZ3 3.6Å; Y307-W381 AromaticContact CE2-CH2 3.81Å; Y307-W381 HydrophobicContact CE2-CH2 3.81Å; Y307-W381 HydrophobicContact CE2-CZ3 4.27Å; Y307-W381 HydrophobicContact CG-CH2 4.22Å; Y307-W381 HydrophobicContact CG-CZ3 4.21Å
308	V	95.5	Very high	91.2	Very high	5 Å²	5	48.7 Å²	48.7	3%	0.03	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	140.8	167.5	62.7	0	0	0	0	109	A327 V329 A363 L372 V387 Y402	V308-A327 HydrophobicContact CG1-CB 3.87Å; V308-A327 PolarHBondContact N-O 2.83Å; V308-A327 PolarHBondContact O-N 2.7Å; V308-V329 HydrophobicContact CG1-CG1 4.17Å; V308-A363 HydrophobicContact CG2-CB 4.06Å; V308-L372 HydrophobicContact CB-CD1 4.12Å; V308-V387 HydrophobicContact CG2-CG2 3.7Å; V308-Y402 HydrophobicContact CG2-CE1 4.15Å
309	T	96.1	Very high	91.2	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.012	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	143.6	-179.5	53.2	0	0	0	0	111.5	W198 Q201 R325 Q326 P371	W198-T309 HydrophobicContact CD2-CG2 3.64Å; W198-T309 HydrophobicContact CE3-CG2 4.35Å; W198-T309 HydrophobicContact CG-CG2 3.69Å; W198-T309 HydrophobicContact CZ2-CG2 4.15Å; Q201-T309 PolarHBondContact OE1-O 2.79Å; Q201-T309 PolarHBondContact OE1-OG1 3.13Å; T309-R325 VanDerWaalsContact CA-O 3.26Å; T309-R325 WeakPolarHBondContact CA-O 3.29Å; T309-R325 WeakPolarHBondContact CB-O 3.47Å; T309-Q326 HydrophobicContact CG2-CB 3.76Å; T309-P371 VanDerWaalsContact OG1-CG 3.26Å; T309-P371 WeakPolarHBondContact OG1-CG 3.33Å
310	G	95.9	Very high	91.3	Very high	3 Å²	3	49.7 Å²	49.7	3%	0.031	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.1	-172.1	176.8	0	0	0	0	0	113.9	R325 D367	G310-R325 PolarHBondContact N-O 3.29Å; G310-R325 PolarHBondContact O-N 3.15Å; G310-D367 WeakPolarHBondContact CA-OD1 3.28Å
311	W	95.9	Very high	91.3	Very high	1 Å²	1	50.4 Å²	50.4	0%	0.004	30%	0.296	C	S	.	.			trans	-116.7	17.2	-176.2	-62.5	-81.1	0	0	0	111.8	Q201 S203 H210 G243 I244 T246 T320 V321 S322 E323 L324 D367	Q201-W311 HydrophobicContact CB-CH2 4.46Å; Q201-W311 HydrophobicContact CG-CH2 3.31Å; Q201-W311 HydrophobicContact CG-CZ2 4.05Å; Q201-W311 HydrophobicContact CG-CZ3 3.59Å; Q201-W311 VanDerWaalsContact NE2-CZ3 3.29Å; S203-W311 VanDerWaalsContact CB-CZ3 3.48Å; H210-W311 AromaticContact CE1-CE3 3.76Å; G243-W311 WeakPolarHBondContact O-CZ2 3.37Å; I244-W311 PolarHBondContact O-NE1 2.94Å; T246-W311 HydrophobicContact CG2-CB 4.04Å; T246-W311 HydrophobicContact CG2-CD2 3.51Å; T246-W311 HydrophobicContact CG2-CE3 4.17Å; T246-W311 HydrophobicContact CG2-CG 3.44Å; T246-W311 VanDerWaalsContact CG2-CG 3.44Å; T246-W311 HydrophobicContact CG2-CZ2 4.35Å; W311-T320 CarbonylContact O-C 3.51Å; W311-T320 WeakPolarHBondContact O-CA 3.35Å; W311-T320 WeakPolarHBondContact O-CB 3.5Å; W311-V321 HydrophobicContact CB-CG2 4.4Å; W311-V321 PolarHBondContact O-N 3.01Å; W311-S322 PolarHBondContact NE1-O 2.78Å; W311-E323 VanDerWaalsContact CD1-C 3.49Å; W311-L324 HydrophobicContact CD2-CD1 4.01Å; W311-L324 HydrophobicContact CE3-CD1 4.36Å; W311-L324 HydrophobicContact CH2-CD1 4.29Å; W311-L324 HydrophobicContact CZ2-CB 4.25Å; W311-L324 HydrophobicContact CZ2-CD1 3.88Å; W311-L324 HydrophobicContact CZ3-CD1 4.49Å; W311-D367 PolarHBondContact N-OD1 2.8Å; W311-D367 VanDerWaalsContact N-OD1 3.11Å
312	G	89.9	Confident	91.3	Very high	5 Å²	5	48.5 Å²	48.5	5%	0.052	28%	0.284	C	S	.	.			trans	-62.1	172	179.2	0	0	0	0	0	113.2	Q365 D367	G312-Q365 CarbonylContact C-O 3.45Å; G312-Q365 WeakPolarHBondContact CA-O 3.34Å; G312-D367 WeakPolarHBondContact CA-OD1 3.23Å; G312-D367 PolarHBondContact N-OD1 3.23Å
313	A	86.1	Confident	91.2	Very high	6 Å²	6	45.1 Å²	45.1	5%	0.05	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-62	145.8	177.3	0	0	0	0	0	111.3	E315 G318 P319 C364 Q365	A313-E315 VanDerWaalsContact C-N 3.27Å; A313-E315 VanDerWaalsContact CB-O 3.26Å; A313-E315 WeakPolarHBondContact CB-O 3.22Å; A313-G318 VanDerWaalsContact CB-O 3.26Å; A313-G318 WeakPolarHBondContact CB-O 3.33Å; A313-P319 WeakPolarHBondContact CA-O 3.34Å; A313-C364 WeakPolarHBondContact O-CB 3.26Å; A313-Q365 PolarHBondContact N-O 3.42Å
314	Q	82.9	Confident	91.2	Very high	148 Å²	148	43.2 Å²	43.2	69%	0.692	25%	0.245	S	C	*	.	S	Bend	trans	-82.6	-11.7	176.2	-59.2	-172	-88.4	0	0	112.6	V321	Q314-V321 HydrophobicContact CG-CG1 3.81Å
315	E	81.6	Confident	91.1	Very high	138 Å²	138	45.7 Å²	45.7	65%	0.645	25%	0.25	S	C	*	.	S	Bend	trans	-145.2	153.7	178.1	62	-172.2	173.4	0	0	109.2	A313 A317 G318	A313-E315 VanDerWaalsContact C-N 3.27Å; A313-E315 VanDerWaalsContact CB-O 3.26Å; A313-E315 WeakPolarHBondContact CB-O 3.22Å; E315-A317 PolarHBondContact O-N 3.39Å; E315-G318 PolarHBondContact O-N 2.96Å
316	Y	83.4	Confident	91.1	Very high	125 Å²	125	44.1 Å²	44.1	49%	0.49	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	130.2	-179.6	175.9	-103.2	0	0	0	111.3	G318 Q392	Y316-G318 PolarHBondContact O-N 3.04Å; Y316-Q392 HydrophobicContact CD1-CG 4.38Å; Y316-Q392 VanDerWaalsContact CD2-CA 3.47Å; Y316-Q392 HydrophobicContact CD2-CB 3.54Å; Y316-Q392 HydrophobicContact CD2-CG 3.85Å; Y316-Q392 HydrophobicContact CE1-CG 4.33Å; Y316-Q392 HydrophobicContact CE2-CB 3.95Å; Y316-Q392 HydrophobicContact CE2-CG 3.79Å; Y316-Q392 HydrophobicContact CG-CB 3.91Å; Y316-Q392 HydrophobicContact CG-CG 4.14Å
317	A	85.2	Confident	90.8	Very high	79 Å²	79	45 Å²	45	65%	0.653	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.9	16	-176.2	0	0	0	0	0	114.9	E315	E315-A317 PolarHBondContact O-N 3.39Å
318	G	85.9	Confident	90.7	Very high	20 Å²	20	46.4 Å²	46.4	21%	0.206	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-78.7	173.2	170.3	0	0	0	0	0	113.3	A313 E315 Y316	A313-G318 VanDerWaalsContact CB-O 3.26Å; A313-G318 WeakPolarHBondContact CB-O 3.33Å; E315-G318 PolarHBondContact O-N 2.96Å; Y316-G318 PolarHBondContact O-N 3.04Å
319	P	89.2	Confident	90.6	Very high	105 Å²	105	46.2 Å²	46.2	68%	0.682	26%	0.256	S	S	*	.	P	Polyproline II helix	trans	-76.4	149.6	174.7	32.2	-34.5	0	0	0	111.9	A313	A313-P319 WeakPolarHBondContact CA-O 3.34Å
320	T	91.4	Very high	90.5	Very high	75 Å²	75	51.9 Å²	51.9	46%	0.46	28%	0.278	S	S	.	.	B	Isolated β-bridge	trans	-62.8	151.1	168.5	55.1	0	0	0	0	111.7	W311	W311-T320 CarbonylContact O-C 3.51Å; W311-T320 WeakPolarHBondContact O-CA 3.35Å; W311-T320 WeakPolarHBondContact O-CB 3.5Å
321	V	92.8	Very high	90.6	Very high	24 Å²	24	52.1 Å²	52.1	15%	0.145	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-93.6	160.2	176.7	-62.9	0	0	0	0	112.2	W311 Q314 E323 R325	W311-V321 HydrophobicContact CB-CG2 4.4Å; W311-V321 PolarHBondContact O-N 3.01Å; Q314-V321 HydrophobicContact CG-CG1 3.81Å; V321-E323 WeakPolarHBondContact CG2-O 3.37Å; V321-R325 HydrophobicContact CG2-CG 3.99Å
322	S	93.8	Very high	90.6	Very high	25 Å²	25	53.2 Å²	53.2	18%	0.175	28%	0.284	C	S	.	.	S	Bend	trans	-88.5	-32.2	178.5	61.9	0	0	0	0	114.1	S245 T246 W311	S245-S322 CarbonylContact C-O 3.54Å; S245-S322 WeakPolarHBondContact CA-O 3.45Å; T246-S322 PolarHBondContact N-O 3.33Å; T246-S322 WeakPolarHBondContact OG1-CA 3.45Å; T246-S322 PolarHBondContact OG1-O 2.98Å; W311-S322 PolarHBondContact NE1-O 2.78Å
323	E	94.1	Very high	90.9	Very high	45 Å²	45	54.3 Å²	54.3	21%	0.21	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-101.4	139.1	-177.5	-55.9	-46.7	124.8	0	0	110.5	E192 S245 W311 V321 R325	E192-E323 HydrophobicContact CG-CB 4.07Å; S245-E323 WeakPolarHBondContact CB-OE1 2.94Å; S245-E323 WeakPolarHBondContact CB-OE2 3.43Å; S245-E323 PolarHBondContact OG-OE1 3.48Å; W311-E323 VanDerWaalsContact CD1-C 3.49Å; V321-E323 WeakPolarHBondContact CG2-O 3.37Å; E323-R325 PolarHBondContact O-N 3.06Å
324	L	95.3	Very high	91.4	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.01	30%	0.295	C	S	.	.			trans	-61.6	133.1	-174.1	-176.6	64.5	0	0	0	110.5	A193 W198 Q201 I244 W311	A193-L324 HydrophobicContact CB-CB 4.16Å; A193-L324 HydrophobicContact CB-CD2 4.02Å; A193-L324 HydrophobicContact CB-CG 3.99Å; A193-L324 PolarHBondContact N-O 2.87Å; W198-L324 HydrophobicContact CB-CD2 4.14Å; W198-L324 HydrophobicContact CG-CD2 4.45Å; Q201-L324 HydrophobicContact CB-CD2 4.16Å; Q201-L324 HydrophobicContact CG-CD1 3.72Å; Q201-L324 HydrophobicContact CG-CD2 3.98Å; I244-L324 HydrophobicContact CB-CB 4.02Å; I244-L324 HydrophobicContact CG2-CB 4.31Å; I244-L324 HydrophobicContact CG2-CD2 4.24Å; I244-L324 WeakPolarHBondContact O-CB 3.39Å; I244-L324 PolarHBondContact O-N 3.32Å; W311-L324 HydrophobicContact CD2-CD1 4.01Å; W311-L324 HydrophobicContact CE3-CD1 4.36Å; W311-L324 HydrophobicContact CH2-CD1 4.29Å; W311-L324 HydrophobicContact CZ2-CB 4.25Å; W311-L324 HydrophobicContact CZ2-CD1 3.88Å; W311-L324 HydrophobicContact CZ3-CD1 4.49Å
325	R	93.3	Very high	92.1	Very high	81 Å²	81	54.8 Å²	54.8	31%	0.306	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	155.5	173.8	-61.2	-63.4	-170.5	-162	-8.3	110.4	E192 T309 G310 V321 E323	E192-R325 IonicContact OE2-CZ 3.83Å; E192-R325 IonicContact OE2-NH1 3.91Å; E192-R325 PolarHBondContact OE2-NH1 2.96Å; E192-R325 IonicContact OE2-NH2 2.67Å; T309-R325 VanDerWaalsContact CA-O 3.26Å; T309-R325 WeakPolarHBondContact CA-O 3.29Å; T309-R325 WeakPolarHBondContact CB-O 3.47Å; G310-R325 PolarHBondContact N-O 3.29Å; G310-R325 PolarHBondContact O-N 3.15Å; V321-R325 HydrophobicContact CG2-CG 3.99Å; E323-R325 PolarHBondContact O-N 3.06Å
326	Q	92.8	Very high	92.7	Very high	19 Å²	19	51.6 Å²	51.6	9%	0.089	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	144.8	175.6	65.7	-178.7	45.5	0	0	110.8	G189 G190 T191 W198 T309	G189-Q326 PolarHBondContact O-NE2 3.49Å; G190-Q326 WeakPolarHBondContact CA-O 3.3Å; T191-Q326 PolarHBondContact O-N 3.26Å; W198-Q326 HydrophobicContact CZ2-CB 4.33Å; T309-Q326 HydrophobicContact CG2-CB 3.76Å
327	A	90.6	Very high	93.3	Very high	19 Å²	19	45.7 Å²	45.7	16%	0.157	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	127.6	-178	0	0	0	0	0	111.2	Y307 V308 V361	Y307-A327 WeakPolarHBondContact CA-O 3.44Å; V308-A327 HydrophobicContact CG1-CB 3.87Å; V308-A327 PolarHBondContact N-O 2.83Å; V308-A327 PolarHBondContact O-N 2.7Å; A327-V361 HydrophobicContact CB-CG1 3.52Å
328	P	92.7	Very high	93.9	Very high	47 Å²	47	43.9 Å²	43.9	31%	0.305	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	131.6	170.1	31.6	-31.9	0	0	0	110.3	T305 A306 Y307	T305-P328 HydrophobicContact CG2-CB 4.1Å; A306-P328 CarbonylContact O-C 3.59Å; A306-P328 WeakPolarHBondContact O-CA 3.38Å; Y307-P328 HydrophobicContact CD1-CB 4.37Å; Y307-P328 HydrophobicContact CE1-CB 3.89Å
329	V	93.4	Very high	94.4	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.006	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	166.5	176.2	-66.7	0	0	0	0	110.4	T305 A306 V308 A354 V361 L372	T305-V329 WeakPolarHBondContact CA-O 3.27Å; A306-V329 HydrophobicContact CB-CG2 4.19Å; A306-V329 PolarHBondContact N-O 3.22Å; A306-V329 PolarHBondContact O-N 3.05Å; V308-V329 HydrophobicContact CG1-CG1 4.17Å; V329-A354 HydrophobicContact CB-CB 4.22Å; V329-A354 HydrophobicContact CG2-CB 3.72Å; V329-V361 HydrophobicContact CG1-CG1 4.09Å; V329-L372 HydrophobicContact CG2-CD1 3.54Å
330	R	95.3	Very high	94.8	Very high	122 Å²	122	43.9 Å²	43.9	46%	0.46	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	136.2	178.1	-59.6	-60.9	-175.8	164.2	-11.4	110.7	G303 S304 T305 I332 A354 G355	G303-R330 WeakPolarHBondContact O-CD 3.5Å; G303-R330 PolarHBondContact O-NH1 2.94Å; S304-R330 WeakPolarHBondContact O-CA 3.39Å; T305-R330 PolarHBondContact OG1-NH1 2.69Å; T305-R330 PolarHBondContact OG1-NH2 3.47Å; R330-I332 PolarHBondContact O-N 3.3Å; R330-A354 CarbonylContact O-C 3.55Å; R330-A354 WeakPolarHBondContact O-CA 3.32Å; R330-G355 WeakPolarHBondContact CB-O 3Å; R330-G355 PolarHBondContact N-O 3.4Å; R330-G355 PolarHBondContact O-N 3.44Å
331	I	97.3	Very high	94.8	Very high	7 Å²	7	46.7 Å²	46.7	4%	0.036	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	129.4	172.4	-57.8	-59.5	0	0	0	109.6	I300 L302 G303 S304 A306 L352 A354 L372	I300-I331 HydrophobicContact CG2-CD1 4.04Å; I300-I331 HydrophobicContact CG2-CG1 3.9Å; I300-I331 HydrophobicContact CG2-CG2 3.96Å; L302-I331 HydrophobicContact CD2-CG2 4.12Å; G303-I331 PolarHBondContact N-O 2.8Å; S304-I331 PolarHBondContact O-N 2.85Å; S304-I331 VanDerWaalsContact O-N 3.07Å; A306-I331 HydrophobicContact CB-CD1 3.94Å; I331-L352 HydrophobicContact CD1-CD1 4.39Å; I331-A354 HydrophobicContact CD1-CB 4.23Å; I331-L372 HydrophobicContact CD1-CD2 4.13Å
332	I	96.4	Very high	94.9	Very high	25 Å²	25	45.8 Å²	45.8	13%	0.128	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	142.7	-178.8	-63.7	161.6	0	0	0	108.7	R330 V336 C353 P399	R330-I332 PolarHBondContact O-N 3.3Å; I332-V336 HydrophobicContact CG2-CB 3.82Å; I332-V336 HydrophobicContact CG2-CG1 3.68Å; I332-C353 HydrophobicContact CB-CB 3.89Å; I332-C353 HydrophobicContact CG2-CB 4.33Å; I332-C353 PolarHBondContact N-O 2.98Å; I332-P399 HydrophobicContact CD1-CB 3.5Å; I332-P399 HydrophobicContact CD1-CG 3.88Å
333	S	96.4	Very high	95	Very high	27 Å²	27	45.6 Å²	45.6	19%	0.189	23%	0.234	C	C	.	.			trans	-69.4	149.1	178.3	63.3	0	0	0	0	111.3	D335 V336 C337	S333-D335 PolarHBondContact O-N 2.94Å; S333-V336 PolarHBondContact O-N 2.87Å; S333-V336 VanDerWaalsContact OG-CG2 3.26Å; S333-V336 WeakPolarHBondContact OG-CG2 3.27Å; S333-V336 PolarHBondContact OG-N 3.27Å; S333-C337 PolarHBondContact O-N 2.84Å; S333-C337 VanDerWaalsContact O-N 3.09Å
334	N	96.4	Very high	95.1	Very high	28 Å²	28	49 Å²	49	15%	0.15	25%	0.254	C	S	.	.	H	α-helix	trans	-60.5	-32	174.9	-71.3	25.7	0	0	0	111.1	C337 N338 I347 L348 M351 R404	N334-C337 PolarHBondContact O-N 3.07Å; N334-N338 WeakPolarHBondContact O-CB 3.43Å; N334-N338 PolarHBondContact O-N 2.8Å; N334-N338 PolarHBondContact O-ND2 3.4Å; N334-I347 HydrophobicContact CB-CG2 4.29Å; N334-L348 PolarHBondContact ND2-O 2.86Å; N334-M351 PolarHBondContact ND2-O 3.47Å; N334-M351 VanDerWaalsContact ND2-O 3.12Å; N334-M351 PolarHBondContact OD1-O 3.3Å; N334-R404 PolarHBondContact OD1-NH2 2.91Å; N334-R404 VanDerWaalsContact OD1-NH2 3.09Å
335	D	96.6	Very high	95.1	Very high	137 Å²	137	51.3 Å²	51.3	73%	0.733	28%	0.278	S	S	*	.	H	α-helix	trans	-62.5	-44.3	176.6	-60.2	-28.5	0	0	0	112.2	S333 N338 A339	S333-D335 PolarHBondContact O-N 2.94Å; D335-N338 PolarHBondContact O-N 3.47Å; D335-A339 PolarHBondContact O-N 3.08Å
336	V	95.3	Very high	95.3	Very high	71 Å²	71	49 Å²	49	43%	0.43	28%	0.28	S	S	.	.	H	α-helix	trans	-65.6	-43.7	176.7	169.3	0	0	0	0	110.3	I332 S333 N338 A339	I332-V336 HydrophobicContact CG2-CB 3.82Å; I332-V336 HydrophobicContact CG2-CG1 3.68Å; S333-V336 PolarHBondContact O-N 2.87Å; S333-V336 VanDerWaalsContact OG-CG2 3.26Å; S333-V336 WeakPolarHBondContact OG-CG2 3.27Å; S333-V336 PolarHBondContact OG-N 3.27Å; V336-N338 VanDerWaalsContact C-N 3.29Å; V336-N338 PolarHBondContact O-N 3.36Å; V336-A339 VanDerWaalsContact O-CB 3.27Å; V336-A339 WeakPolarHBondContact O-CB 3.34Å; V336-A339 PolarHBondContact O-N 2.74Å
337	C	95.6	Very high	95.5	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.007	28%	0.277	C	S	.	.	H	α-helix	trans	-65.4	-31.6	175.6	-82.6	0	0	0	0	114.2	S333 N334 A339 S342 Y343 I347 C353 P399	S333-C337 PolarHBondContact O-N 2.84Å; S333-C337 VanDerWaalsContact O-N 3.09Å; N334-C337 PolarHBondContact O-N 3.07Å; C337-A339 VanDerWaalsContact C-N 3.26Å; C337-A339 PolarHBondContact O-N 2.83Å; C337-S342 VanDerWaalsContact O-CB 3.29Å; C337-S342 WeakPolarHBondContact O-CB 3.34Å; C337-S342 PolarHBondContact O-OG 2.55Å; C337-Y343 HydrophobicContact CB-CD2 4.14Å; C337-Y343 VanDerWaalsContact O-CB 3.32Å; C337-Y343 WeakPolarHBondContact O-CB 3.44Å; C337-Y343 PolarHBondContact O-N 3.19Å; C337-I347 HydrophobicContact CB-CG1 3.68Å; C337-C353 HydrophobicContact CB-CB 4.19Å; C337-C353 WeakPolarHBondContact CB-SG 3.47Å; C337-C353 WeakPolarHBondContact SG-CB 3.36Å; C337-C353 CovalentContact SG-SG 2.01Å; C337-C353 PolarHBondContact SG-SG 3.1Å; C337-P399 WeakPolarHBondContact SG-CG 3.36Å
338	N	97.4	Very high	95.9	Very high	41 Å²	41	49.7 Å²	49.7	22%	0.219	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	1.9	179.2	-80.8	-31.1	0	0	0	113.4	N334 D335 V336 N344 G345 G346 I347	N334-N338 WeakPolarHBondContact O-CB 3.43Å; N334-N338 PolarHBondContact O-N 2.8Å; N334-N338 PolarHBondContact O-ND2 3.4Å; D335-N338 PolarHBondContact O-N 3.47Å; V336-N338 VanDerWaalsContact C-N 3.29Å; V336-N338 PolarHBondContact O-N 3.36Å; N338-N344 WeakPolarHBondContact O-CA 3.4Å; N338-G345 PolarHBondContact O-N 3.37Å; N338-G345 WeakPolarHBondContact OD1-CA 3.24Å; N338-G345 PolarHBondContact OD1-N 2.82Å; N338-G346 PolarHBondContact OD1-N 2.89Å; N338-I347 PolarHBondContact ND2-O 3.22Å; N338-I347 WeakPolarHBondContact OD1-CA 3.21Å; N338-I347 VanDerWaalsContact OD1-CB 3.27Å; N338-I347 WeakPolarHBondContact OD1-CB 3.37Å; N338-I347 WeakPolarHBondContact OD1-CG1 3.35Å; N338-I347 PolarHBondContact OD1-N 2.92Å
339	A	96.8	Very high	96	Very high	16 Å²	16	52.5 Å²	52.5	13%	0.132	30%	0.299	C	S	.	.	S	Bend	trans	-57	150.4	173.3	0	0	0	0	0	111.1	D335 V336 C337 Y341 S342 N344	D335-A339 PolarHBondContact O-N 3.08Å; V336-A339 VanDerWaalsContact O-CB 3.27Å; V336-A339 WeakPolarHBondContact O-CB 3.34Å; V336-A339 PolarHBondContact O-N 2.74Å; C337-A339 VanDerWaalsContact C-N 3.26Å; C337-A339 PolarHBondContact O-N 2.83Å; A339-Y341 HydrophobicContact CB-CD1 3.7Å; A339-Y341 HydrophobicContact CB-CE1 3.26Å; A339-Y341 HydrophobicContact CB-CE2 4.3Å; A339-Y341 HydrophobicContact CB-CG 4.38Å; A339-Y341 PolarHBondContact O-N 2.83Å; A339-Y341 VanDerWaalsContact O-N 3.1Å; A339-S342 CarbonylContact O-C 3.6Å; A339-S342 PolarHBondContact O-N 2.98Å; A339-N344 PolarHBondContact O-N 2.84Å
340	P	96.4	Very high	96.2	Very high	108 Å²	108	52.9 Å²	52.9	70%	0.701	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-29.6	-176.1	-28.3	35.7	0	0	0	114.9	S342	P340-S342 VanDerWaalsContact C-N 3.31Å
341	Y	91.9	Very high	96.3	Very high	135 Å²	135	47.2 Å²	47.2	53%	0.529	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-13.9	179.3	62.2	-99	0	0	0	113.6	A339 D397	A339-Y341 HydrophobicContact CB-CD1 3.7Å; A339-Y341 HydrophobicContact CB-CE1 3.26Å; A339-Y341 HydrophobicContact CB-CE2 4.3Å; A339-Y341 HydrophobicContact CB-CG 4.38Å; A339-Y341 PolarHBondContact O-N 2.83Å; A339-Y341 VanDerWaalsContact O-N 3.1Å; Y341-D397 HydrophobicContact CD2-CB 3.92Å; Y341-D397 HydrophobicContact CE2-CB 4.05Å
342	S	94.4	Very high	96.4	Very high	4 Å²	4	46.9 Å²	46.9	3%	0.028	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-121.1	179	-168.8	0	0	0	0	109.1	C337 A339 P340 N344 D397 R398	C337-S342 VanDerWaalsContact O-CB 3.29Å; C337-S342 WeakPolarHBondContact O-CB 3.34Å; C337-S342 PolarHBondContact O-OG 2.55Å; A339-S342 CarbonylContact O-C 3.6Å; A339-S342 PolarHBondContact O-N 2.98Å; P340-S342 VanDerWaalsContact C-N 3.31Å; S342-N344 VanDerWaalsContact C-N 3.32Å; S342-N344 PolarHBondContact O-N 2.96Å; S342-D397 VanDerWaalsContact CB-O 3.28Å; S342-D397 WeakPolarHBondContact CB-O 3.49Å; S342-D397 PolarHBondContact OG-O 3.09Å; S342-R398 VanDerWaalsContact C-NH1 3.27Å; S342-R398 VanDerWaalsContact O-CZ 3.31Å; S342-R398 PolarHBondContact O-NH1 2.83Å; S342-R398 PolarHBondContact O-NH2 2.83Å
343	Y	95.8	Very high	96.4	Very high	21 Å²	21	45.7 Å²	45.7	8%	0.082	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-1.5	-175.2	-63.6	-70.9	0	0	0	115.3	C337 G345 G346 I347 W389 D391 P399 V401	C337-Y343 HydrophobicContact CB-CD2 4.14Å; C337-Y343 VanDerWaalsContact O-CB 3.32Å; C337-Y343 WeakPolarHBondContact O-CB 3.44Å; C337-Y343 PolarHBondContact O-N 3.19Å; Y343-G345 PolarHBondContact O-N 3.27Å; Y343-G346 PolarHBondContact O-N 3.42Å; Y343-I347 HydrophobicContact CD1-CD1 4.34Å; Y343-I347 HydrophobicContact CD2-CD1 3.61Å; Y343-I347 HydrophobicContact CD2-CG1 3.9Å; Y343-I347 HydrophobicContact CE2-CD1 4.25Å; Y343-I347 HydrophobicContact CG-CD1 3.65Å; Y343-I347 HydrophobicContact CG-CG1 4.1Å; Y343-W389 AromaticContact CD1-CH2 3.55Å; Y343-W389 HydrophobicContact CD1-CH2 3.55Å; Y343-W389 AromaticContact CD1-CZ3 3.55Å; Y343-W389 HydrophobicContact CD1-CZ3 3.55Å; Y343-W389 HydrophobicContact CE1-CE3 4.28Å; Y343-W389 AromaticContact CE1-CH2 3.85Å; Y343-W389 HydrophobicContact CE1-CH2 3.85Å; Y343-W389 AromaticContact CE1-CZ3 3.42Å; Y343-W389 HydrophobicContact CE1-CZ3 3.42Å; Y343-W389 VanDerWaalsContact CE1-CZ3 3.42Å; Y343-W389 HydrophobicContact CG-CH2 4.15Å; Y343-D391 HydrophobicContact CE1-CB 4.26Å; Y343-P399 HydrophobicContact CE2-CG 4.22Å; Y343-P399 WeakPolarHBondContact CE2-O 3.03Å; Y343-P399 PolarHBondContact OH-O 3.1Å; Y343-V401 HydrophobicContact CD2-CG2 4.35Å; Y343-V401 HydrophobicContact CE1-CG2 4.32Å; Y343-V401 HydrophobicContact CE2-CG2 3.73Å
344	N	96.7	Very high	96.4	Very high	117 Å²	117	44.4 Å²	44.4	63%	0.626	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.7	51.9	170.3	-169.6	38.2	0	0	0	113.8	N338 A339 S342	N338-N344 WeakPolarHBondContact O-CA 3.4Å; A339-N344 PolarHBondContact O-N 2.84Å; S342-N344 VanDerWaalsContact C-N 3.32Å; S342-N344 PolarHBondContact O-N 2.96Å
345	G	96.6	Very high	96.2	Very high	50 Å²	50	43.1 Å²	43.1	52%	0.515	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.2	0.9	-179.5	0	0	0	0	0	116.2	N338 Y343 I347	N338-G345 PolarHBondContact O-N 3.37Å; N338-G345 WeakPolarHBondContact OD1-CA 3.24Å; N338-G345 PolarHBondContact OD1-N 2.82Å; Y343-G345 PolarHBondContact O-N 3.27Å; G345-I347 VanDerWaalsContact C-N 3.32Å; G345-I347 PolarHBondContact O-N 3.48Å
346	G	96.4	Very high	95.7	Very high	34 Å²	34	38.6 Å²	38.6	35%	0.351	24%	0.236	S	C	.	.			trans	-72.6	-14.9	-179.6	0	0	0	0	0	115.9	N338 Y343	N338-G346 PolarHBondContact OD1-N 2.89Å; Y343-G346 PolarHBondContact O-N 3.42Å
347	I	97.9	Very high	94.7	Very high	6 Å²	6	38.8 Å²	38.8	3%	0.031	24%	0.239	C	C	.	.			trans	-87.8	114	-178.8	-51.5	-46.1	0	0	0	110.6	N334 C337 N338 Y343 G345 M351 W389 V401	N334-I347 HydrophobicContact CB-CG2 4.29Å; C337-I347 HydrophobicContact CB-CG1 3.68Å; N338-I347 PolarHBondContact ND2-O 3.22Å; N338-I347 WeakPolarHBondContact OD1-CA 3.21Å; N338-I347 VanDerWaalsContact OD1-CB 3.27Å; N338-I347 WeakPolarHBondContact OD1-CB 3.37Å; N338-I347 WeakPolarHBondContact OD1-CG1 3.35Å; N338-I347 PolarHBondContact OD1-N 2.92Å; Y343-I347 HydrophobicContact CD1-CD1 4.34Å; Y343-I347 HydrophobicContact CD2-CD1 3.61Å; Y343-I347 HydrophobicContact CD2-CG1 3.9Å; Y343-I347 HydrophobicContact CE2-CD1 4.25Å; Y343-I347 HydrophobicContact CG-CD1 3.65Å; Y343-I347 HydrophobicContact CG-CG1 4.1Å; G345-I347 VanDerWaalsContact C-N 3.32Å; G345-I347 PolarHBondContact O-N 3.48Å; I347-M351 HydrophobicContact CG2-CB 3.8Å; I347-M351 HydrophobicContact CG2-SD 4.49Å; I347-W389 HydrophobicContact CD1-CH2 3.71Å; I347-W389 HydrophobicContact CD1-CZ2 3.53Å; I347-V401 HydrophobicContact CD1-CB 4.43Å; I347-V401 HydrophobicContact CD1-CG1 3.94Å; I347-V401 HydrophobicContact CD1-CG2 3.57Å
348	L	97.6	Very high	93.9	Very high	45 Å²	45	45.8 Å²	45.8	24%	0.236	27%	0.271	C	S	.	.			trans	-84.4	162.6	-178.8	-58.5	178.7	0	0	0	112.5	E270 N334 G350 M351	E270-L348 HydrophobicContact CB-CD1 3.57Å; E270-L348 HydrophobicContact CG-CD1 3.56Å; N334-L348 PolarHBondContact ND2-O 2.86Å; L348-G350 PolarHBondContact O-N 3.37Å; L348-M351 HydrophobicContact CB-CE 4.06Å; L348-M351 HydrophobicContact CB-CG 4.36Å; L348-M351 HydrophobicContact CB-SD 4Å; L348-M351 HydrophobicContact CD1-CE 3.83Å; L348-M351 HydrophobicContact CG-CE 3.99Å; L348-M351 HydrophobicContact CG-SD 4.28Å; L348-M351 PolarHBondContact N-SD 3.18Å; L348-M351 VanDerWaalsContact N-SD 3.44Å; L348-M351 WeakPolarHBondContact O-CB 3.36Å; L348-M351 PolarHBondContact O-N 3.35Å
349	P	95.6	Very high	93.1	Very high	106 Å²	106	44.3 Å²	44.3	69%	0.688	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-31	-179.6	-26.4	35.7	0	0	0	114.5	M351	P349-M351 PolarHBondContact O-N 3.13Å
350	G	97.3	Very high	92.2	Very high	10 Å²	10	46.8 Å²	46.8	10%	0.103	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	4	174.4	0	0	0	0	0	114.6	L348 R404	L348-G350 PolarHBondContact O-N 3.37Å; G350-R404 WeakPolarHBondContact O-CB 3.39Å; G350-R404 PolarHBondContact O-N 2.69Å
351	M	98.4	Very high	91.4	Very high	3 Å²	3	44.3 Å²	44.3	2%	0.015	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	160.2	179.2	-57.8	169	-176	0	0	111	T268 H269 N334 I347 L348 P349 W389 V401 Y402 R404	T268-M351 WeakPolarHBondContact O-CE 3.34Å; H269-M351 HydrophobicContact CB-CE 4.3Å; H269-M351 WeakPolarHBondContact O-CE 3.28Å; N334-M351 PolarHBondContact ND2-O 3.47Å; N334-M351 VanDerWaalsContact ND2-O 3.12Å; N334-M351 PolarHBondContact OD1-O 3.3Å; I347-M351 HydrophobicContact CG2-CB 3.8Å; I347-M351 HydrophobicContact CG2-SD 4.49Å; L348-M351 HydrophobicContact CB-CE 4.06Å; L348-M351 HydrophobicContact CB-CG 4.36Å; L348-M351 HydrophobicContact CB-SD 4Å; L348-M351 HydrophobicContact CD1-CE 3.83Å; L348-M351 HydrophobicContact CG-CE 3.99Å; L348-M351 HydrophobicContact CG-SD 4.28Å; L348-M351 PolarHBondContact N-SD 3.18Å; L348-M351 VanDerWaalsContact N-SD 3.44Å; L348-M351 WeakPolarHBondContact O-CB 3.36Å; L348-M351 PolarHBondContact O-N 3.35Å; P349-M351 PolarHBondContact O-N 3.13Å; M351-W389 HydrophobicContact SD-CZ2 4.26Å; M351-V401 HydrophobicContact CB-CG1 4.02Å; M351-V401 HydrophobicContact CG-CG1 4.28Å; M351-V401 HydrophobicContact SD-CG1 4.05Å; M351-Y402 CarbonylContact C-O 3.6Å; M351-Y402 VanDerWaalsContact CA-O 3.29Å; M351-Y402 WeakPolarHBondContact CA-O 3.42Å; M351-R404 PolarHBondContact O-NE 2.95Å; M351-R404 VanDerWaalsContact O-NE 3.1Å; M351-R404 PolarHBondContact O-NH2 3.17Å
352	L	97.6	Very high	90.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	158.1	167.9	71.2	83.3	0	0	0	109.4	I300 I331 L372 V384 Y402 R404	I300-L352 HydrophobicContact CD1-CD2 4.13Å; I331-L352 HydrophobicContact CD1-CD1 4.39Å; L352-L372 HydrophobicContact CD1-CD2 3.64Å; L352-V384 WeakPolarHBondContact CD2-O 3.39Å; L352-Y402 HydrophobicContact CD1-CD2 4.03Å; L352-Y402 HydrophobicContact CD1-CG 4.17Å; L352-Y402 PolarHBondContact N-O 3.21Å; L352-Y402 PolarHBondContact O-N 2.78Å; L352-R404 HydrophobicContact CB-CB 4.39Å; L352-R404 VanDerWaalsContact CB-NH2 3.33Å; L352-R404 HydrophobicContact CD2-CB 4.17Å; L352-R404 HydrophobicContact CD2-CG 4.21Å
353	C	97.3	Very high	90.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	146.1	173	-68.8	0	0	0	0	111.9	I332 C337 P399 G400	I332-C353 HydrophobicContact CB-CB 3.89Å; I332-C353 HydrophobicContact CG2-CB 4.33Å; I332-C353 PolarHBondContact N-O 2.98Å; C337-C353 HydrophobicContact CB-CB 4.19Å; C337-C353 WeakPolarHBondContact CB-SG 3.47Å; C337-C353 WeakPolarHBondContact SG-CB 3.36Å; C337-C353 CovalentContact SG-SG 2.01Å; C337-C353 PolarHBondContact SG-SG 3.1Å; C353-P399 HydrophobicContact CB-CG 4.19Å; C353-G400 WeakPolarHBondContact CA-O 3.45Å
354	A	96.5	Very high	89.7	Confident	0 Å²	0	39 Å²	39	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	145	164.8	0	0	0	0	0	111	V329 R330 I331 L372 G400 Y402	V329-A354 HydrophobicContact CB-CB 4.22Å; V329-A354 HydrophobicContact CG2-CB 3.72Å; R330-A354 CarbonylContact O-C 3.55Å; R330-A354 WeakPolarHBondContact O-CA 3.32Å; I331-A354 HydrophobicContact CD1-CB 4.23Å; A354-L372 HydrophobicContact CB-CD1 4.31Å; A354-L372 HydrophobicContact CB-CD2 3.93Å; A354-G400 PolarHBondContact N-O 3.44Å; A354-G400 PolarHBondContact O-N 3.42Å; A354-G400 VanDerWaalsContact O-N 3.13Å; A354-Y402 HydrophobicContact CB-CD2 4.16Å; A354-Y402 HydrophobicContact CB-CE2 3.7Å
355	G	91.9	Very high	89.2	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.01	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.2	-163.7	178.4	0	0	0	0	0	111.9	R330	R330-G355 WeakPolarHBondContact CB-O 3Å; R330-G355 PolarHBondContact N-O 3.4Å; R330-G355 PolarHBondContact O-N 3.44Å
356	V	85.9	Confident	88.6	Confident	41 Å²	41	35.4 Å²	35.4	25%	0.248	23%	0.23	C	C	.	.			trans	-119	130.6	172.1	-180	0	0	0	0	107.3	Q358 G359 V361	V356-Q358 VanDerWaalsContact CG1-OE1 3.24Å; V356-Q358 PolarHBondContact O-N 3.31Å; V356-Q358 VanDerWaalsContact O-N 3.15Å; V356-G359 PolarHBondContact O-N 3.26Å; V356-V361 HydrophobicContact CG2-CB 4Å
357	P	74.1	Confident	88.4	Confident	75 Å²	75	34.5 Å²	34.5	49%	0.487	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-37	-175.7	-28.6	35.4	0	0	0	113.9	G359 D397	P357-G359 PolarHBondContact O-N 2.88Å; P357-D397 PolarHBondContact O-N 3.13Å
358	Q	79.9	Confident	88.4	Confident	148 Å²	148	35.5 Å²	35.5	69%	0.692	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-3.2	178.7	-59.5	81	10.8	0	0	114	V356	V356-Q358 VanDerWaalsContact CG1-OE1 3.24Å; V356-Q358 PolarHBondContact O-N 3.31Å; V356-Q358 VanDerWaalsContact O-N 3.15Å
359	G	79.6	Confident	88.4	Confident	11 Å²	11	33.3 Å²	33.3	11%	0.113	21%	0.213	C	C	.	.			trans	77.7	-156.2	-172.1	0	0	0	0	0	113.3	V356 P357 V361 G394	V356-G359 PolarHBondContact O-N 3.26Å; P357-G359 PolarHBondContact O-N 2.88Å; G359-V361 VanDerWaalsContact C-N 3.28Å; G359-V361 PolarHBondContact O-N 2.93Å; G359-G394 CarbonylContact C-O 3.58Å; G359-G394 WeakPolarHBondContact CA-O 3.35Å
360	G	78.4	Confident	88.6	Confident	68 Å²	68	28.3 Å²	28.3	70%	0.701	18%	0.18	S	C	*	.	S	Bend	trans	81.8	-50.5	178.1	0	0	0	0	0	114.9	G394	G360-G394 PolarHBondContact N-O 3.28Å
361	V	79.6	Confident	88.6	Confident	56 Å²	56	27.8 Å²	27.8	34%	0.339	18%	0.175	S	C	.	.			trans	-102.5	111.2	-179.3	-176.5	0	0	0	0	110.3	A327 V329 V356 G359	A327-V361 HydrophobicContact CB-CG1 3.52Å; V329-V361 HydrophobicContact CG1-CG1 4.09Å; V356-V361 HydrophobicContact CG2-CB 4Å; G359-V361 VanDerWaalsContact C-N 3.28Å; G359-V361 PolarHBondContact O-N 2.93Å
362	D	79.3	Confident	88.6	Confident	26 Å²	26	27.7 Å²	27.7	14%	0.139	18%	0.175	C	C	.	.			trans	-156.2	164.1	-176	-162.2	10.5	0	0	0	111.7	G394 G400	D362-G394 VanDerWaalsContact CB-N 3.31Å; D362-G394 PolarHBondContact OD2-N 2.98Å; D362-G400 WeakPolarHBondContact OD1-CA 3.36Å; D362-G400 PolarHBondContact OD1-N 3.38Å
363	A	80.1	Confident	88.6	Confident	12 Å²	12	27.7 Å²	27.7	10%	0.099	18%	0.175	C	C	.	.			trans	-75	150.9	163.4	0	0	0	0	0	109.8	V308 D367 V387	V308-A363 HydrophobicContact CG2-CB 4.06Å; A363-D367 HydrophobicContact CB-CB 4.07Å; A363-V387 HydrophobicContact CB-CG1 3.72Å; A363-V387 HydrophobicContact CB-CG2 4.04Å
364	C	87.7	Confident	88.5	Confident	11 Å²	11	28.4 Å²	28.4	7%	0.074	18%	0.178	C	C	.	.			trans	-138.6	-174.7	-178.8	-158.1	0	0	0	0	112.8	A313 G366 D367 C393	A313-C364 WeakPolarHBondContact O-CB 3.26Å; C364-G366 PolarHBondContact O-N 2.87Å; C364-G366 VanDerWaalsContact O-N 3.16Å; C364-D367 PolarHBondContact N-OD2 3.21Å; C364-D367 WeakPolarHBondContact O-CB 3.34Å; C364-D367 PolarHBondContact O-N 2.85Å; C364-C393 WeakPolarHBondContact CA-SG 3.14Å; C364-C393 HydrophobicContact CB-CB 3.66Å; C364-C393 WeakPolarHBondContact CB-SG 3.34Å; C364-C393 WeakPolarHBondContact SG-CB 3.31Å; C364-C393 CovalentContact SG-SG 2.03Å; C364-C393 PolarHBondContact SG-SG 2.81Å
365	Q	84.6	Confident	88.3	Confident	77 Å²	77	31 Å²	31	36%	0.36	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	123.8	-177.7	-68	94.4	-3.1	0	0	111.3	G312 A313 C393	G312-Q365 CarbonylContact C-O 3.45Å; G312-Q365 WeakPolarHBondContact CA-O 3.34Å; A313-Q365 PolarHBondContact N-O 3.42Å; Q365-C393 PolarHBondContact OE1-SG 3.45Å; Q365-C393 VanDerWaalsContact OE1-SG 3.39Å
366	G	84.1	Confident	88.2	Confident	13 Å²	13	32.1 Å²	32.1	13%	0.134	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	102.5	-18.1	-174.5	0	0	0	0	0	114.1	H210 C364 S368	H210-G366 PolarHBondContact NE2-O 2.79Å; H210-G366 VanDerWaalsContact NE2-O 3.09Å; C364-G366 PolarHBondContact O-N 2.87Å; C364-G366 VanDerWaalsContact O-N 3.16Å; G366-S368 VanDerWaalsContact C-N 3.31Å
367	D	93.8	Very high	88.2	Confident	16 Å²	16	35.6 Å²	35.6	9%	0.086	22%	0.222	C	C	.	.			trans	-80.9	-14.4	172.4	-63.5	-43	0	0	0	113	G310 W311 G312 A363 C364 G369 G370 V387	G310-D367 WeakPolarHBondContact CA-OD1 3.28Å; W311-D367 PolarHBondContact N-OD1 2.8Å; W311-D367 VanDerWaalsContact N-OD1 3.11Å; G312-D367 WeakPolarHBondContact CA-OD1 3.23Å; G312-D367 PolarHBondContact N-OD1 3.23Å; A363-D367 HydrophobicContact CB-CB 4.07Å; C364-D367 PolarHBondContact N-OD2 3.21Å; C364-D367 WeakPolarHBondContact O-CB 3.34Å; C364-D367 PolarHBondContact O-N 2.85Å; D367-G369 PolarHBondContact O-N 3.27Å; D367-G370 WeakPolarHBondContact O-CA 3.26Å; D367-G370 PolarHBondContact O-N 3.03Å; D367-V387 HydrophobicContact CB-CG1 4.22Å; D367-V387 HydrophobicContact CB-CG2 4.45Å; D367-V387 WeakPolarHBondContact O-CB 3.37Å
368	S	96.8	Very high	88.9	Confident	26 Å²	26	32.2 Å²	32.2	18%	0.182	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-38.2	129.1	175.1	-77.5	0	0	0	0	113.3	C212 G213 H227 G366 G370	C212-S368 CarbonylContact C-O 3.54Å; C212-S368 WeakPolarHBondContact CA-O 3.11Å; C212-S368 WeakPolarHBondContact CB-O 3.26Å; C212-S368 PolarHBondContact SG-O 2.86Å; G213-S368 PolarHBondContact N-O 2.83Å; H227-S368 WeakPolarHBondContact NE2-CB 3.34Å; H227-S368 PolarHBondContact NE2-OG 3.25Å; G366-S368 VanDerWaalsContact C-N 3.31Å; S368-G370 PolarHBondContact O-N 3.12Å
369	G	98.4	Very high	89.3	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	-9.3	-177.2	0	0	0	0	0	115.3	G213 G214 T224 D367 V387	G213-G369 VanDerWaalsContact C-C 3.48Å; G213-G369 CarbonylContact C-O 3.5Å; G213-G369 CarbonylContact O-C 3.48Å; G214-G369 WeakPolarHBondContact CA-O 3.43Å; G214-G369 PolarHBondContact N-O 2.78Å; T224-G369 WeakPolarHBondContact OG1-CA 3.47Å; D367-G369 PolarHBondContact O-N 3.27Å; G369-V387 PolarHBondContact N-O 2.83Å
370	G	98.4	Very high	89.9	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	17%	0.166	C	C	.	.			trans	-66.7	163	175.3	0	0	0	0	0	113.5	D367 S368 I386 V387	D367-G370 WeakPolarHBondContact O-CA 3.26Å; D367-G370 PolarHBondContact O-N 3.03Å; S368-G370 PolarHBondContact O-N 3.12Å; G370-I386 WeakPolarHBondContact O-CA 2.96Å; G370-V387 PolarHBondContact O-N 3.11Å
371	P	98.4	Very high	90.8	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	143.7	-176.9	27.6	-32.6	0	0	0	113.2	S215 T309 V373 L383	S215-P371 WeakPolarHBondContact OG-CB 3.41Å; T309-P371 VanDerWaalsContact OG1-CG 3.26Å; T309-P371 WeakPolarHBondContact OG1-CG 3.33Å; P371-V373 HydrophobicContact CB-CG1 3.95Å; P371-L383 HydrophobicContact CB-CD1 3.54Å
372	L	98.3	Very high	91.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	114.1	152.1	-177.2	75.5	0	0	0	108.3	A306 Y307 V308 V329 I331 L352 A354 V384 G385 Y402	A306-L372 HydrophobicContact CB-CD1 3.69Å; A306-L372 HydrophobicContact CB-CD2 4.39Å; A306-L372 HydrophobicContact CB-CG 3.92Å; Y307-L372 WeakPolarHBondContact O-CA 3.5Å; V308-L372 HydrophobicContact CB-CD1 4.12Å; V329-L372 HydrophobicContact CG2-CD1 3.54Å; I331-L372 HydrophobicContact CD1-CD2 4.13Å; L352-L372 HydrophobicContact CD1-CD2 3.64Å; A354-L372 HydrophobicContact CB-CD1 4.31Å; A354-L372 HydrophobicContact CB-CD2 3.93Å; L372-V384 HydrophobicContact CD2-CG2 4.13Å; L372-V384 HydrophobicContact CG-CG2 4.13Å; L372-V384 VanDerWaalsContact O-CG2 3.31Å; L372-V384 WeakPolarHBondContact O-CG2 3.38Å; L372-V384 PolarHBondContact O-N 2.03Å; L372-G385 PolarHBondContact N-O 2.76Å; L372-G385 PolarHBondContact O-N 2.71Å; L372-G385 VanDerWaalsContact O-N 3.09Å; L372-Y402 HydrophobicContact CB-CD1 3.64Å; L372-Y402 HydrophobicContact CB-CE1 3.76Å; L372-Y402 HydrophobicContact CB-CG 4.42Å; L372-Y402 HydrophobicContact CD1-CD1 4.48Å; L372-Y402 HydrophobicContact CD1-CE1 3.93Å; L372-Y402 HydrophobicContact CD2-CD1 3.92Å; L372-Y402 HydrophobicContact CD2-CD2 4.09Å; L372-Y402 HydrophobicContact CD2-CE1 4.14Å; L372-Y402 HydrophobicContact CD2-CE2 4.32Å; L372-Y402 HydrophobicContact CD2-CG 3.9Å; L372-Y402 HydrophobicContact CG-CD1 4.22Å; L372-Y402 HydrophobicContact CG-CE1 4.16Å
373	V	97.9	Very high	92.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	149.5	-171.5	-71.2	0	0	0	0	113.6	W198 W200 V291 A306 Y307 P371 W381 F382 L383	W198-V373 HydrophobicContact CE3-CG2 4Å; W198-V373 HydrophobicContact CH2-CG2 4.27Å; W198-V373 HydrophobicContact CZ3-CG2 3.46Å; W198-V373 VanDerWaalsContact CZ3-CG2 3.46Å; W200-V373 HydrophobicContact CZ2-CG2 4.45Å; V291-V373 HydrophobicContact CG2-CG1 3.83Å; A306-V373 CarbonylContact C-O 3.57Å; A306-V373 VanDerWaalsContact CA-O 3.3Å; A306-V373 WeakPolarHBondContact CA-O 3.24Å; Y307-V373 PolarHBondContact N-O 3.06Å; Y307-V373 PolarHBondContact O-N 2.9Å; P371-V373 HydrophobicContact CB-CG1 3.95Å; V373-W381 HydrophobicContact CB-CE3 3.95Å; V373-W381 HydrophobicContact CG2-CE3 3.67Å; V373-W381 HydrophobicContact CG2-CZ3 4.05Å; V373-F382 CarbonylContact C-O 3.59Å; V373-F382 WeakPolarHBondContact CA-O 3.49Å; V373-L383 HydrophobicContact CG1-CB 4.4Å; V373-L383 HydrophobicContact CG1-CD1 4.05Å
374	Q	95.5	Very high	93.4	Very high	15 Å²	15	19.6 Å²	19.6	7%	0.07	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	136.7	174.2	-65.9	-164.5	-63.7	0	0	111.9	S304 T305 A306 W381 F382 V384	S304-Q374 PolarHBondContact OG-NE2 3.39Å; T305-Q374 PolarHBondContact O-NE2 3.48Å; A306-Q374 HydrophobicContact CB-CG 3.68Å; Q374-W381 CarbonylContact O-C 3.52Å; Q374-W381 WeakPolarHBondContact O-CA 3.37Å; Q374-F382 PolarHBondContact N-O 3.39Å; Q374-F382 PolarHBondContact O-N 2.88Å; Q374-V384 HydrophobicContact CB-CG1 4.18Å; Q374-V384 HydrophobicContact CG-CG1 4.08Å; Q374-V384 HydrophobicContact CG-CG2 3.78Å
375	E	92.6	Very high	93.9	Very high	56 Å²	56	19.1 Å²	19.1	26%	0.262	11%	0.107	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	131.4	172.5	-168.6	-174.8	-125.2	0	0	109.8	R186 R379 L380 W381	R186-E375 IonicContact CZ-OE2 3.28Å; R186-E375 IonicContact NE-OE2 3.27Å; R186-E375 IonicContact NH2-OE2 2.77Å; R186-E375 PolarHBondContact NH2-OE2 3.3Å; E375-R379 VanDerWaalsContact CD-CD 3.5Å; E375-R379 VanDerWaalsContact OE1-CD 3.26Å; E375-R379 WeakPolarHBondContact OE1-CD 3.38Å; E375-R379 IonicContact OE1-CZ 3.49Å; E375-R379 IonicContact OE1-NE 3.83Å; E375-R379 IonicContact OE1-NH1 3.94Å; E375-R379 PolarHBondContact OE1-NH1 2.74Å; E375-R379 IonicContact OE2-CZ 2.92Å; E375-R379 IonicContact OE2-NE 3.96Å; E375-R379 IonicContact OE2-NH1 3.3Å; E375-R379 PolarHBondContact OE2-NH1 2.03Å; E375-L380 WeakPolarHBondContact CA-O 3.38Å; E375-W381 HydrophobicContact CB-CD2 4.02Å; E375-W381 HydrophobicContact CB-CE3 4.04Å; E375-W381 HydrophobicContact CB-CH2 4Å; E375-W381 HydrophobicContact CB-CZ2 3.95Å; E375-W381 HydrophobicContact CB-CZ3 4.04Å; E375-W381 HydrophobicContact CG-CZ2 4.33Å
376	D	89	Confident	94.6	Very high	24 Å²	24	15.4 Å²	15.4	13%	0.128	9%	0.09	C	C	.	.			trans	-88.5	177.1	169.2	83.6	-3.3	0	0	0	112.2	R378 R379 L380 F382	D376-R378 PolarHBondContact O-N 3.44Å; D376-R378 VanDerWaalsContact O-N 3.07Å; D376-R378 VanDerWaalsContact OD1-CA 3.31Å; D376-R378 WeakPolarHBondContact OD1-CA 3.49Å; D376-R378 WeakPolarHBondContact OD1-CB 3.37Å; D376-R378 PolarHBondContact OD1-N 2.88Å; D376-R378 IonicContact OD1-NE 3.53Å; D376-R378 IonicContact OD2-CZ 2.78Å; D376-R378 VanDerWaalsContact OD2-CZ 3.28Å; D376-R378 IonicContact OD2-NE 3.89Å; D376-R378 PolarHBondContact OD2-NE 2.89Å; D376-R378 IonicContact OD2-NH2 2.93Å; D376-R378 PolarHBondContact OD2-NH2 2.93Å; D376-R379 PolarHBondContact O-N 2.78Å; D376-R379 PolarHBondContact OD1-N 3.21Å; D376-L380 PolarHBondContact N-O 3.09Å; D376-L380 PolarHBondContact OD1-N 2.8Å; D376-L380 VanDerWaalsContact OD1-N 3.11Å; D376-F382 HydrophobicContact CB-CD2 4.26Å; D376-F382 HydrophobicContact CB-CE2 4.07Å; D376-F382 WeakPolarHBondContact OD2-CE2 3.06Å
377	S	85.9	Confident	95.3	Very high	114 Å²	114	15.2 Å²	15.2	80%	0.797	9%	0.086	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-19.2	-179.9	57.5	0	0	0	0	114.3
378	R	87.8	Confident	95.5	Very high	3 Å²	3	14.6 Å²	14.6	1%	0.011	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	2.2	179.8	-56.3	171.8	-61.9	153.2	4.9	112.4	P68 Y73 R74 S77 D376 L380	P68-R378 PolarHBondContact O-NH2 2.96Å; Y73-R378 VanDerWaalsContact CE1-NH1 3.33Å; R74-R378 VanDerWaalsContact CG-NH2 3.33Å; S77-R378 WeakPolarHBondContact OG-CD 3.44Å; S77-R378 PolarHBondContact OG-NH1 3.44Å; D376-R378 PolarHBondContact O-N 3.44Å; D376-R378 VanDerWaalsContact O-N 3.07Å; D376-R378 VanDerWaalsContact OD1-CA 3.31Å; D376-R378 WeakPolarHBondContact OD1-CA 3.49Å; D376-R378 WeakPolarHBondContact OD1-CB 3.37Å; D376-R378 PolarHBondContact OD1-N 2.88Å; D376-R378 IonicContact OD1-NE 3.53Å; D376-R378 IonicContact OD2-CZ 2.78Å; D376-R378 VanDerWaalsContact OD2-CZ 3.28Å; D376-R378 IonicContact OD2-NE 3.89Å; D376-R378 PolarHBondContact OD2-NE 2.89Å; D376-R378 IonicContact OD2-NH2 2.93Å; D376-R378 PolarHBondContact OD2-NH2 2.93Å; R378-L380 VanDerWaalsContact C-N 3.3Å; R378-L380 HydrophobicContact CB-CD1 4.35Å
379	R	89.4	Confident	95.4	Very high	26 Å²	26	16.3 Å²	16.3	10%	0.098	9%	0.085	C	C	.	.	S	Bend	trans	72.1	21.8	-178.1	-48.2	-53.6	-153.9	106.4	10.7	114	L179 R186 E375 D376	L179-R379 HydrophobicContact CB-CB 4.35Å; L179-R379 HydrophobicContact CD1-CB 4.41Å; R186-R379 VanDerWaalsContact CG-NH1 3.32Å; R186-R379 VanDerWaalsContact NE-NH2 3.12Å; E375-R379 VanDerWaalsContact CD-CD 3.5Å; E375-R379 VanDerWaalsContact OE1-CD 3.26Å; E375-R379 WeakPolarHBondContact OE1-CD 3.38Å; E375-R379 IonicContact OE1-CZ 3.49Å; E375-R379 IonicContact OE1-NE 3.83Å; E375-R379 IonicContact OE1-NH1 3.94Å; E375-R379 PolarHBondContact OE1-NH1 2.74Å; E375-R379 IonicContact OE2-CZ 2.92Å; E375-R379 IonicContact OE2-NE 3.96Å; E375-R379 IonicContact OE2-NH1 3.3Å; E375-R379 PolarHBondContact OE2-NH1 2.03Å; D376-R379 PolarHBondContact O-N 2.78Å; D376-R379 PolarHBondContact OD1-N 3.21Å
380	L	92.6	Very high	95.1	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.102	C	C	.	.	B	Isolated β-bridge	trans	-94.3	136.6	172.6	-65.1	166.8	0	0	0	109.6	P68 E172 C173 L179 E375 D376 R378 F382	P68-L380 HydrophobicContact CB-CD1 4.5Å; E172-L380 HydrophobicContact CG-CD2 3.97Å; E172-L380 VanDerWaalsContact OE1-CD1 3.26Å; E172-L380 WeakPolarHBondContact OE1-CD1 3.26Å; C173-L380 VanDerWaalsContact O-CD2 3.26Å; C173-L380 WeakPolarHBondContact O-CD2 3.34Å; L179-L380 HydrophobicContact CD2-CD2 3.38Å; L179-L380 HydrophobicContact CD2-CG 4.11Å; E375-L380 WeakPolarHBondContact CA-O 3.38Å; D376-L380 PolarHBondContact N-O 3.09Å; D376-L380 PolarHBondContact OD1-N 2.8Å; D376-L380 VanDerWaalsContact OD1-N 3.11Å; R378-L380 VanDerWaalsContact C-N 3.3Å; R378-L380 HydrophobicContact CB-CD1 4.35Å; L380-F382 HydrophobicContact CB-CE2 3.8Å; L380-F382 HydrophobicContact CB-CZ 4.43Å; L380-F382 WeakPolarHBondContact O-CD2 3.33Å
381	W	95.9	Very high	94.6	Very high	29 Å²	29	20.7 Å²	20.7	11%	0.11	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	128.7	-179.6	-67.9	86.9	0	0	0	111.4	G174 W198 W200 V291 C292 Y307 V373 Q374 E375	G174-W381 WeakPolarHBondContact CA-O 3.19Å; G174-W381 VanDerWaalsContact O-CD1 3.29Å; G174-W381 PolarHBondContact O-N 2.82Å; W198-W381 HydrophobicContact CH2-CE3 4.24Å; W198-W381 AromaticContact CH2-CH2 3.57Å; W198-W381 HydrophobicContact CH2-CH2 3.57Å; W198-W381 AromaticContact CH2-CZ2 3.98Å; W198-W381 HydrophobicContact CH2-CZ2 3.98Å; W198-W381 AromaticContact CH2-CZ3 3.72Å; W198-W381 HydrophobicContact CH2-CZ3 3.72Å; W198-W381 HydrophobicContact CZ3-CD2 4.01Å; W198-W381 AromaticContact CZ3-CE3 3.8Å; W198-W381 HydrophobicContact CZ3-CE3 3.8Å; W198-W381 AromaticContact CZ3-CH2 3.94Å; W198-W381 HydrophobicContact CZ3-CH2 3.94Å; W198-W381 HydrophobicContact CZ3-CZ2 4.16Å; W198-W381 AromaticContact CZ3-CZ3 3.76Å; W198-W381 HydrophobicContact CZ3-CZ3 3.76Å; W200-W381 HydrophobicContact CH2-CB 3.34Å; W200-W381 AromaticContact CH2-CD1 3.61Å; W200-W381 HydrophobicContact CH2-CD2 4.39Å; W200-W381 AromaticContact CH2-CG 3.49Å; W200-W381 HydrophobicContact CH2-CG 3.49Å; W200-W381 VanDerWaalsContact CH2-CG 3.49Å; W200-W381 HydrophobicContact CZ2-CB 3.54Å; W200-W381 HydrophobicContact CZ2-CD2 4.33Å; W200-W381 AromaticContact CZ2-CG 3.77Å; W200-W381 HydrophobicContact CZ2-CG 3.77Å; W200-W381 HydrophobicContact CZ3-CB 4.22Å; V291-W381 WeakPolarHBondContact CG2-O 3.14Å; C292-W381 WeakPolarHBondContact CB-O 3.05Å; C292-W381 PolarHBondContact N-O 3.22Å; C292-W381 VanDerWaalsContact N-O 3.11Å; Y307-W381 AromaticContact CD2-CH2 3.55Å; Y307-W381 HydrophobicContact CD2-CH2 3.55Å; Y307-W381 AromaticContact CD2-CZ3 3.6Å; Y307-W381 HydrophobicContact CD2-CZ3 3.6Å; Y307-W381 AromaticContact CE2-CH2 3.81Å; Y307-W381 HydrophobicContact CE2-CH2 3.81Å; Y307-W381 HydrophobicContact CE2-CZ3 4.27Å; Y307-W381 HydrophobicContact CG-CH2 4.22Å; Y307-W381 HydrophobicContact CG-CZ3 4.21Å; V373-W381 HydrophobicContact CB-CE3 3.95Å; V373-W381 HydrophobicContact CG2-CE3 3.67Å; V373-W381 HydrophobicContact CG2-CZ3 4.05Å; Q374-W381 CarbonylContact O-C 3.52Å; Q374-W381 WeakPolarHBondContact O-CA 3.37Å; E375-W381 HydrophobicContact CB-CD2 4.02Å; E375-W381 HydrophobicContact CB-CE3 4.04Å; E375-W381 HydrophobicContact CB-CH2 4Å; E375-W381 HydrophobicContact CB-CZ2 3.95Å; E375-W381 HydrophobicContact CB-CZ3 4.04Å; E375-W381 HydrophobicContact CG-CZ2 4.33Å
382	F	97.3	Very high	94.1	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.009	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	132.7	-179.9	-71.4	-93.6	0	0	0	110.8	A69 R74 C292 V373 Q374 D376 L380 V384	A69-F382 HydrophobicContact CB-CE1 3.9Å; R74-F382 VanDerWaalsContact NH2-CD1 3.29Å; R74-F382 VanDerWaalsContact NH2-CE2 3.33Å; C292-F382 HydrophobicContact CB-CD1 3.38Å; C292-F382 HydrophobicContact CB-CD2 4.4Å; C292-F382 HydrophobicContact CB-CE1 3.29Å; C292-F382 HydrophobicContact CB-CE2 4.33Å; C292-F382 HydrophobicContact CB-CG 3.95Å; C292-F382 HydrophobicContact CB-CZ 3.79Å; C292-F382 CarbonylContact O-C 3.42Å; C292-F382 WeakPolarHBondContact O-CA 3.37Å; V373-F382 CarbonylContact C-O 3.59Å; V373-F382 WeakPolarHBondContact CA-O 3.49Å; Q374-F382 PolarHBondContact N-O 3.39Å; Q374-F382 PolarHBondContact O-N 2.88Å; D376-F382 HydrophobicContact CB-CD2 4.26Å; D376-F382 HydrophobicContact CB-CE2 4.07Å; D376-F382 WeakPolarHBondContact OD2-CE2 3.06Å; L380-F382 HydrophobicContact CB-CE2 3.8Å; L380-F382 HydrophobicContact CB-CZ 4.43Å; L380-F382 WeakPolarHBondContact O-CD2 3.33Å; F382-V384 PolarHBondContact O-N 2.84Å; F382-V384 VanDerWaalsContact O-N 3.15Å
383	L	98.5	Very high	93.5	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	95.6	175.2	-176.6	64.2	0	0	0	110	I217 L223 V291 C292 L293 P294 P371 V373 G385 V405	I217-L383 HydrophobicContact CG2-CD2 4.21Å; L223-L383 HydrophobicContact CB-CD2 4.33Å; L223-L383 HydrophobicContact CD2-CD2 3.72Å; V291-L383 HydrophobicContact CG1-CB 3.78Å; V291-L383 HydrophobicContact CG1-CD2 4.1Å; V291-L383 HydrophobicContact CG1-CG 4.45Å; V291-L383 HydrophobicContact CG2-CB 4.09Å; C292-L383 PolarHBondContact O-N 3.37Å; L293-L383 HydrophobicContact CD2-CD2 4.29Å; P294-L383 WeakPolarHBondContact CD-O 3.27Å; P294-L383 WeakPolarHBondContact CG-O 3.22Å; P371-L383 HydrophobicContact CB-CD1 3.54Å; V373-L383 HydrophobicContact CG1-CB 4.4Å; V373-L383 HydrophobicContact CG1-CD1 4.05Å; L383-G385 VanDerWaalsContact CD1-O 3.22Å; L383-G385 WeakPolarHBondContact CD1-O 3.19Å; L383-V405 HydrophobicContact CG-CG2 4.17Å; L383-V405 WeakPolarHBondContact O-CB 3.24Å; L383-V405 WeakPolarHBondContact O-CG1 3.34Å
384	V	98.1	Very high	92.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	-25.2	-176.7	-62.9	0	0	0	0	112.7	I300 L352 L372 Q374 F382 V405	I300-V384 HydrophobicContact CD1-CB 3.93Å; I300-V384 HydrophobicContact CD1-CG1 4.35Å; I300-V384 HydrophobicContact CG1-CB 4.32Å; I300-V384 HydrophobicContact CG1-CG1 4.23Å; L352-V384 WeakPolarHBondContact CD2-O 3.39Å; L372-V384 HydrophobicContact CD2-CG2 4.13Å; L372-V384 HydrophobicContact CG-CG2 4.13Å; L372-V384 VanDerWaalsContact O-CG2 3.31Å; L372-V384 WeakPolarHBondContact O-CG2 3.38Å; L372-V384 PolarHBondContact O-N 2.03Å; Q374-V384 HydrophobicContact CB-CG1 4.18Å; Q374-V384 HydrophobicContact CG-CG1 4.08Å; Q374-V384 HydrophobicContact CG-CG2 3.78Å; F382-V384 PolarHBondContact O-N 2.84Å; F382-V384 VanDerWaalsContact O-N 3.15Å; V384-V405 PolarHBondContact O-N 2.84Å; V384-V405 VanDerWaalsContact O-N 3.12Å
385	G	98.5	Very high	92.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	164.3	180	0	0	0	0	0	113.5	L372 L383 T403	L372-G385 PolarHBondContact N-O 2.76Å; L372-G385 PolarHBondContact O-N 2.71Å; L372-G385 VanDerWaalsContact O-N 3.09Å; L383-G385 VanDerWaalsContact CD1-O 3.22Å; L383-G385 WeakPolarHBondContact CD1-O 3.19Å; G385-T403 VanDerWaalsContact CA-O 3.23Å; G385-T403 WeakPolarHBondContact CA-O 3.27Å
386	I	98.9	Very high	92.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	128.1	173.4	-56.3	165.8	0	0	0	106.9	L223 A225 I273 G370 S388 Y402 T403 V405	L223-I386 HydrophobicContact CD2-CD1 3.79Å; L223-I386 HydrophobicContact CD2-CG1 4.44Å; L223-I386 HydrophobicContact CG-CD1 3.79Å; A225-I386 HydrophobicContact CB-CG2 4.14Å; I273-I386 HydrophobicContact CD1-CD1 3.92Å; I273-I386 HydrophobicContact CG1-CD1 3.74Å; G370-I386 WeakPolarHBondContact O-CA 2.96Å; I386-S388 PolarHBondContact O-N 3.48Å; I386-Y402 CarbonylContact O-C 3.59Å; I386-Y402 WeakPolarHBondContact O-CA 3.29Å; I386-Y402 WeakPolarHBondContact O-CB 3.27Å; I386-T403 PolarHBondContact N-O 3.31Å; I386-T403 VanDerWaalsContact N-O 3.13Å; I386-T403 PolarHBondContact O-N 2.97Å; I386-V405 HydrophobicContact CD1-CG2 4.17Å; I386-V405 HydrophobicContact CG1-CG2 3.87Å
387	V	98.6	Very high	92.1	Very high	9 Å²	9	32.7 Å²	32.7	6%	0.055	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	122.6	178.1	179.5	0	0	0	0	109.1	V308 A363 D367 G369 G370 Y402	V308-V387 HydrophobicContact CG2-CG2 3.7Å; A363-V387 HydrophobicContact CB-CG1 3.72Å; A363-V387 HydrophobicContact CB-CG2 4.04Å; D367-V387 HydrophobicContact CB-CG1 4.22Å; D367-V387 HydrophobicContact CB-CG2 4.45Å; D367-V387 WeakPolarHBondContact O-CB 3.37Å; G369-V387 PolarHBondContact N-O 2.83Å; G370-V387 PolarHBondContact O-N 3.11Å; V387-Y402 HydrophobicContact CB-CD1 4.39Å; V387-Y402 HydrophobicContact CB-CE1 4.31Å; V387-Y402 HydrophobicContact CG2-CD1 4.03Å; V387-Y402 HydrophobicContact CG2-CE1 3.59Å
388	S	98.1	Very high	92.3	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.021	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	-65.9	-173.1	-177.2	0	0	0	0	111.6	H227 D272 I386 V401	H227-S388 PolarHBondContact CE1-O 2.83Å; D272-S388 WeakPolarHBondContact OD2-CB 3.38Å; D272-S388 PolarHBondContact OD2-OG 2.9Å; I386-S388 PolarHBondContact O-N 3.48Å; S388-V401 WeakPolarHBondContact CB-O 3.03Å; S388-V401 PolarHBondContact N-O 2.83Å; S388-V401 VanDerWaalsContact N-O 3.09Å
389	W	95.6	Very high	92.7	Very high	61 Å²	61	31.2 Å²	31.2	23%	0.231	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	173.5	-178.1	64	-82.6	0	0	0	112.1	H269 Y343 I347 M351 V401	H269-W389 VanDerWaalsContact CB-CD1 3.46Å; H269-W389 HydrophobicContact CB-CG 4.24Å; H269-W389 AromaticContact CG-CD1 3.66Å; H269-W389 AromaticContact CG-CG 3.96Å; Y343-W389 AromaticContact CD1-CH2 3.55Å; Y343-W389 HydrophobicContact CD1-CH2 3.55Å; Y343-W389 AromaticContact CD1-CZ3 3.55Å; Y343-W389 HydrophobicContact CD1-CZ3 3.55Å; Y343-W389 HydrophobicContact CE1-CE3 4.28Å; Y343-W389 AromaticContact CE1-CH2 3.85Å; Y343-W389 HydrophobicContact CE1-CH2 3.85Å; Y343-W389 AromaticContact CE1-CZ3 3.42Å; Y343-W389 HydrophobicContact CE1-CZ3 3.42Å; Y343-W389 VanDerWaalsContact CE1-CZ3 3.42Å; Y343-W389 HydrophobicContact CG-CH2 4.15Å; I347-W389 HydrophobicContact CD1-CH2 3.71Å; I347-W389 HydrophobicContact CD1-CZ2 3.53Å; M351-W389 HydrophobicContact SD-CZ2 4.26Å; W389-V401 HydrophobicContact CD2-CB 3.97Å; W389-V401 HydrophobicContact CD2-CG1 4.37Å; W389-V401 HydrophobicContact CD2-CG2 4.07Å; W389-V401 HydrophobicContact CE3-CG2 4.28Å; W389-V401 HydrophobicContact CG-CB 4.15Å; W389-V401 HydrophobicContact CH2-CG2 4.13Å; W389-V401 HydrophobicContact CZ2-CB 4.22Å; W389-V401 HydrophobicContact CZ2-CG1 3.98Å; W389-V401 HydrophobicContact CZ2-CG2 3.91Å; W389-V401 HydrophobicContact CZ3-CG2 4.32Å; W389-V401 PolarHBondContact N-O 2.84Å; W389-V401 VanDerWaalsContact N-O 3.13Å; W389-V401 WeakPolarHBondContact O-CA 3.39Å; W389-V401 VanDerWaalsContact O-CB 3.32Å; W389-V401 WeakPolarHBondContact O-CB 3.48Å; W389-V401 PolarHBondContact O-N 2.92Å
390	G	91.8	Very high	93	Very high	33 Å²	33	30.1 Å²	30.1	34%	0.34	17%	0.166	S	C	.	.			trans	-168.1	168.6	178.4	0	0	0	0	0	110.6
391	D	88.5	Confident	93.2	Very high	60 Å²	60	30.2 Å²	30.2	32%	0.321	17%	0.166	S	C	.	.	S	Bend	trans	-96.9	102.7	170.1	-175.2	12.3	0	0	0	107.8	Y343 R398	Y343-D391 HydrophobicContact CE1-CB 4.26Å; D391-R398 HydrophobicContact CB-CB 4.42Å; D391-R398 HydrophobicContact CB-CG 4.3Å; D391-R398 IonicContact OD2-CZ 3.44Å; D391-R398 IonicContact OD2-NE 3.81Å; D391-R398 PolarHBondContact OD2-NE 2.83Å; D391-R398 IonicContact OD2-NH1 3.93Å
392	Q	88.1	Confident	93.3	Very high	87 Å²	87	28.9 Å²	28.9	41%	0.407	16%	0.161	S	C	.	.	S	Bend	trans	53.4	-147	-165.2	-52.4	-178.8	22.5	0	0	111.3	Y316 L395	Y316-Q392 HydrophobicContact CD1-CG 4.38Å; Y316-Q392 VanDerWaalsContact CD2-CA 3.47Å; Y316-Q392 HydrophobicContact CD2-CB 3.54Å; Y316-Q392 HydrophobicContact CD2-CG 3.85Å; Y316-Q392 HydrophobicContact CE1-CG 4.33Å; Y316-Q392 HydrophobicContact CE2-CB 3.95Å; Y316-Q392 HydrophobicContact CE2-CG 3.79Å; Y316-Q392 HydrophobicContact CG-CB 3.91Å; Y316-Q392 HydrophobicContact CG-CG 4.14Å; Q392-L395 HydrophobicContact CB-CD1 3.85Å; Q392-L395 HydrophobicContact CB-CG 4.13Å; Q392-L395 HydrophobicContact CG-CD1 4.05Å
393	C	85.1	Confident	93.4	Very high	25 Å²	25	28.8 Å²	28.8	17%	0.169	16%	0.161	C	C	.	.	S	Bend	trans	-135.2	130.9	177.6	-46.1	0	0	0	0	109.5	C364 Q365 L395	C364-C393 WeakPolarHBondContact CA-SG 3.14Å; C364-C393 HydrophobicContact CB-CB 3.66Å; C364-C393 WeakPolarHBondContact CB-SG 3.34Å; C364-C393 WeakPolarHBondContact SG-CB 3.31Å; C364-C393 CovalentContact SG-SG 2.03Å; C364-C393 PolarHBondContact SG-SG 2.81Å; Q365-C393 PolarHBondContact OE1-SG 3.45Å; Q365-C393 VanDerWaalsContact OE1-SG 3.39Å; C393-L395 VanDerWaalsContact C-N 3.28Å; C393-L395 PolarHBondContact O-N 2.93Å
394	G	82.1	Confident	93.4	Very high	17 Å²	17	31.3 Å²	31.3	18%	0.175	17%	0.171	C	C	.	.	S	Bend	trans	70.1	21	170.2	0	0	0	0	0	114.9	G359 G360 D362	G359-G394 CarbonylContact C-O 3.58Å; G359-G394 WeakPolarHBondContact CA-O 3.35Å; G360-G394 PolarHBondContact N-O 3.28Å; D362-G394 VanDerWaalsContact CB-N 3.31Å; D362-G394 PolarHBondContact OD2-N 2.98Å
395	L	86.8	Confident	93.4	Very high	57 Å²	57	31.3 Å²	31.3	30%	0.298	17%	0.171	S	C	.	.			trans	-73.6	143.6	173.7	-71.2	-176.4	0	0	0	111.1	Q392 C393 R398	Q392-L395 HydrophobicContact CB-CD1 3.85Å; Q392-L395 HydrophobicContact CB-CG 4.13Å; Q392-L395 HydrophobicContact CG-CD1 4.05Å; C393-L395 VanDerWaalsContact C-N 3.28Å; C393-L395 PolarHBondContact O-N 2.93Å; L395-R398 HydrophobicContact CB-CB 3.78Å; L395-R398 HydrophobicContact CB-CG 3.94Å; L395-R398 HydrophobicContact CD1-CG 4.39Å; L395-R398 PolarHBondContact O-N 2.85Å
396	P	87.7	Confident	93.4	Very high	78 Å²	78	32 Å²	32	51%	0.506	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	141.6	170.1	-23	33.2	0	0	0	111.4	R398	P396-R398 PolarHBondContact O-N 3.17Å
397	D	88.3	Confident	93.3	Very high	83 Å²	83	35.6 Å²	35.6	44%	0.444	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	12.1	179.6	-57.8	-51.5	0	0	0	116.1	Y341 S342 P357 P399	Y341-D397 HydrophobicContact CD2-CB 3.92Å; Y341-D397 HydrophobicContact CE2-CB 4.05Å; S342-D397 VanDerWaalsContact CB-O 3.28Å; S342-D397 WeakPolarHBondContact CB-O 3.49Å; S342-D397 PolarHBondContact OG-O 3.09Å; P357-D397 PolarHBondContact O-N 3.13Å; D397-P399 VanDerWaalsContact C-CD 3.44Å; D397-P399 WeakPolarHBondContact O-CD 3.32Å
398	R	91.6	Very high	93.3	Very high	70 Å²	70	35.7 Å²	35.7	26%	0.264	20%	0.196	S	C	.	.			trans	-121.7	68.2	176.2	-63.2	-65.3	-172.3	175.9	-9.7	110.2	S342 D391 L395 P396	S342-R398 VanDerWaalsContact C-NH1 3.27Å; S342-R398 VanDerWaalsContact O-CZ 3.31Å; S342-R398 PolarHBondContact O-NH1 2.83Å; S342-R398 PolarHBondContact O-NH2 2.83Å; D391-R398 HydrophobicContact CB-CB 4.42Å; D391-R398 HydrophobicContact CB-CG 4.3Å; D391-R398 IonicContact OD2-CZ 3.44Å; D391-R398 IonicContact OD2-NE 3.81Å; D391-R398 PolarHBondContact OD2-NE 2.83Å; D391-R398 IonicContact OD2-NH1 3.93Å; L395-R398 HydrophobicContact CB-CB 3.78Å; L395-R398 HydrophobicContact CB-CG 3.94Å; L395-R398 HydrophobicContact CD1-CG 4.39Å; L395-R398 PolarHBondContact O-N 2.85Å; P396-R398 PolarHBondContact O-N 3.17Å
399	P	94.5	Very high	93.2	Very high	15 Å²	15	36.8 Å²	36.8	10%	0.097	20%	0.2	C	C	.	.			trans	-69.5	147.4	-178.2	30.9	-36.3	0	0	0	111.5	I332 C337 Y343 C353 D397	I332-P399 HydrophobicContact CD1-CB 3.5Å; I332-P399 HydrophobicContact CD1-CG 3.88Å; C337-P399 WeakPolarHBondContact SG-CG 3.36Å; Y343-P399 HydrophobicContact CE2-CG 4.22Å; Y343-P399 WeakPolarHBondContact CE2-O 3.03Å; Y343-P399 PolarHBondContact OH-O 3.1Å; C353-P399 HydrophobicContact CB-CG 4.19Å; D397-P399 VanDerWaalsContact C-CD 3.44Å; D397-P399 WeakPolarHBondContact O-CD 3.32Å
400	G	95.8	Very high	93.3	Very high	3 Å²	3	38.2 Å²	38.2	3%	0.031	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.4	141.3	173.5	0	0	0	0	0	113.5	C353 A354 D362 Y402	C353-G400 WeakPolarHBondContact CA-O 3.45Å; A354-G400 PolarHBondContact N-O 3.44Å; A354-G400 PolarHBondContact O-N 3.42Å; A354-G400 VanDerWaalsContact O-N 3.13Å; D362-G400 WeakPolarHBondContact OD1-CA 3.36Å; D362-G400 PolarHBondContact OD1-N 3.38Å; G400-Y402 VanDerWaalsContact O-CD2 3.31Å; G400-Y402 WeakPolarHBondContact O-CD2 3.37Å; G400-Y402 VanDerWaalsContact O-CE2 3.27Å; G400-Y402 WeakPolarHBondContact O-CE2 2.99Å
401	V	97.9	Very high	93.6	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.012	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	131.3	179.1	-171.9	0	0	0	0	109.7	Y343 I347 M351 S388 W389	Y343-V401 HydrophobicContact CD2-CG2 4.35Å; Y343-V401 HydrophobicContact CE1-CG2 4.32Å; Y343-V401 HydrophobicContact CE2-CG2 3.73Å; I347-V401 HydrophobicContact CD1-CB 4.43Å; I347-V401 HydrophobicContact CD1-CG1 3.94Å; I347-V401 HydrophobicContact CD1-CG2 3.57Å; M351-V401 HydrophobicContact CB-CG1 4.02Å; M351-V401 HydrophobicContact CG-CG1 4.28Å; M351-V401 HydrophobicContact SD-CG1 4.05Å; S388-V401 WeakPolarHBondContact CB-O 3.03Å; S388-V401 PolarHBondContact N-O 2.83Å; S388-V401 VanDerWaalsContact N-O 3.09Å; W389-V401 HydrophobicContact CD2-CB 3.97Å; W389-V401 HydrophobicContact CD2-CG1 4.37Å; W389-V401 HydrophobicContact CD2-CG2 4.07Å; W389-V401 HydrophobicContact CE3-CG2 4.28Å; W389-V401 HydrophobicContact CG-CB 4.15Å; W389-V401 HydrophobicContact CH2-CG2 4.13Å; W389-V401 HydrophobicContact CZ2-CB 4.22Å; W389-V401 HydrophobicContact CZ2-CG1 3.98Å; W389-V401 HydrophobicContact CZ2-CG2 3.91Å; W389-V401 HydrophobicContact CZ3-CG2 4.32Å; W389-V401 PolarHBondContact N-O 2.84Å; W389-V401 VanDerWaalsContact N-O 3.13Å; W389-V401 WeakPolarHBondContact O-CA 3.39Å; W389-V401 VanDerWaalsContact O-CB 3.32Å; W389-V401 WeakPolarHBondContact O-CB 3.48Å; W389-V401 PolarHBondContact O-N 2.92Å
402	Y	98.7	Very high	94.1	Very high	1 Å²	1	34.9 Å²	34.9	0%	0.004	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	145.6	-174.4	-58	-103.6	0	0	0	110.4	V308 M351 L352 A354 L372 I386 V387 G400 R404	V308-Y402 HydrophobicContact CG2-CE1 4.15Å; M351-Y402 CarbonylContact C-O 3.6Å; M351-Y402 VanDerWaalsContact CA-O 3.29Å; M351-Y402 WeakPolarHBondContact CA-O 3.42Å; L352-Y402 HydrophobicContact CD1-CD2 4.03Å; L352-Y402 HydrophobicContact CD1-CG 4.17Å; L352-Y402 PolarHBondContact N-O 3.21Å; L352-Y402 PolarHBondContact O-N 2.78Å; A354-Y402 HydrophobicContact CB-CD2 4.16Å; A354-Y402 HydrophobicContact CB-CE2 3.7Å; L372-Y402 HydrophobicContact CB-CD1 3.64Å; L372-Y402 HydrophobicContact CB-CE1 3.76Å; L372-Y402 HydrophobicContact CB-CG 4.42Å; L372-Y402 HydrophobicContact CD1-CD1 4.48Å; L372-Y402 HydrophobicContact CD1-CE1 3.93Å; L372-Y402 HydrophobicContact CD2-CD1 3.92Å; L372-Y402 HydrophobicContact CD2-CD2 4.09Å; L372-Y402 HydrophobicContact CD2-CE1 4.14Å; L372-Y402 HydrophobicContact CD2-CE2 4.32Å; L372-Y402 HydrophobicContact CD2-CG 3.9Å; L372-Y402 HydrophobicContact CG-CD1 4.22Å; L372-Y402 HydrophobicContact CG-CE1 4.16Å; I386-Y402 CarbonylContact O-C 3.59Å; I386-Y402 WeakPolarHBondContact O-CA 3.29Å; I386-Y402 WeakPolarHBondContact O-CB 3.27Å; V387-Y402 HydrophobicContact CB-CD1 4.39Å; V387-Y402 HydrophobicContact CB-CE1 4.31Å; V387-Y402 HydrophobicContact CG2-CD1 4.03Å; V387-Y402 HydrophobicContact CG2-CE1 3.59Å; G400-Y402 VanDerWaalsContact O-CD2 3.31Å; G400-Y402 WeakPolarHBondContact O-CD2 3.37Å; G400-Y402 VanDerWaalsContact O-CE2 3.27Å; G400-Y402 WeakPolarHBondContact O-CE2 2.99Å; Y402-R404 PolarHBondContact O-N 2.85Å
403	T	98.8	Very high	94.5	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	125.3	168.2	-59.2	0	0	0	0	109.3	D272 I273 G385 I386 V405 Y408	D272-T403 PolarHBondContact O-OG1 2.77Å; I273-T403 HydrophobicContact CB-CG2 4.25Å; G385-T403 VanDerWaalsContact CA-O 3.23Å; G385-T403 WeakPolarHBondContact CA-O 3.27Å; I386-T403 PolarHBondContact N-O 3.31Å; I386-T403 VanDerWaalsContact N-O 3.13Å; I386-T403 PolarHBondContact O-N 2.97Å; T403-V405 PolarHBondContact O-N 2.75Å; T403-Y408 HydrophobicContact CG2-CD2 3.65Å; T403-Y408 HydrophobicContact CG2-CE2 3.28Å
404	R	98.6	Very high	95.1	Very high	53 Å²	53	43.4 Å²	43.4	20%	0.2	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	105.5	-178	-179.7	-177	-60.6	-87.1	0.9	110.9	N334 G350 M351 L352 Y402 T406 T407 Y408	N334-R404 PolarHBondContact OD1-NH2 2.91Å; N334-R404 VanDerWaalsContact OD1-NH2 3.09Å; G350-R404 WeakPolarHBondContact O-CB 3.39Å; G350-R404 PolarHBondContact O-N 2.69Å; M351-R404 PolarHBondContact O-NE 2.95Å; M351-R404 VanDerWaalsContact O-NE 3.1Å; M351-R404 PolarHBondContact O-NH2 3.17Å; L352-R404 HydrophobicContact CB-CB 4.39Å; L352-R404 VanDerWaalsContact CB-NH2 3.33Å; L352-R404 HydrophobicContact CD2-CB 4.17Å; L352-R404 HydrophobicContact CD2-CG 4.21Å; Y402-R404 PolarHBondContact O-N 2.85Å; R404-T406 VanDerWaalsContact C-N 3.31Å; R404-T406 WeakPolarHBondContact CG-OG1 3.05Å; R404-T406 PolarHBondContact O-N 3.16Å; R404-T407 WeakPolarHBondContact CD-OG1 3.24Å; R404-T407 WeakPolarHBondContact O-CB 3.36Å; R404-T407 PolarHBondContact O-N 3.44Å; R404-T407 VanDerWaalsContact O-N 3.14Å; R404-Y408 WeakPolarHBondContact O-CD2 3.38Å
405	V	98.5	Very high	95.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-63.3	-34	-171.1	174.9	0	0	0	0	113.1	L223 L293 P294 L383 V384 I386 T403 T407 Y408 R409 I412	L223-V405 HydrophobicContact CD2-CG1 4.41Å; L293-V405 HydrophobicContact CD2-CG1 4.05Å; P294-V405 HydrophobicContact CG-CB 4.29Å; P294-V405 HydrophobicContact CG-CG1 3.93Å; L383-V405 HydrophobicContact CG-CG2 4.17Å; L383-V405 WeakPolarHBondContact O-CB 3.24Å; L383-V405 WeakPolarHBondContact O-CG1 3.34Å; V384-V405 PolarHBondContact O-N 2.84Å; V384-V405 VanDerWaalsContact O-N 3.12Å; I386-V405 HydrophobicContact CD1-CG2 4.17Å; I386-V405 HydrophobicContact CG1-CG2 3.87Å; T403-V405 PolarHBondContact O-N 2.75Å; V405-T407 PolarHBondContact O-N 2.96Å; V405-Y408 PolarHBondContact O-N 3.4Å; V405-R409 PolarHBondContact O-N 2.8Å; V405-I412 HydrophobicContact CG1-CD1 4.15Å
406	T	97.2	Very high	96.3	Very high	13 Å²	13	45.7 Å²	45.7	8%	0.08	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-58.4	-35.2	178.1	53.8	0	0	0	0	112.3	P294 A295 Q298 I300 R404 Y408 R409	P294-T406 HydrophobicContact CB-CG2 3.85Å; P294-T406 HydrophobicContact CG-CG2 3.73Å; A295-T406 WeakPolarHBondContact O-CG2 3Å; Q298-T406 HydrophobicContact CB-CG2 4.38Å; I300-T406 HydrophobicContact CD1-CG2 4.15Å; R404-T406 VanDerWaalsContact C-N 3.31Å; R404-T406 WeakPolarHBondContact CG-OG1 3.05Å; R404-T406 PolarHBondContact O-N 3.16Å; T406-Y408 VanDerWaalsContact C-N 3.29Å; T406-Y408 PolarHBondContact O-N 2.88Å; T406-R409 PolarHBondContact O-N 3.27Å
407	T	97.8	Very high	96.6	Very high	76 Å²	76	45.2 Å²	45.2	47%	0.466	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-64.5	-31.9	176.5	-55.2	0	0	0	0	112.6	R404 V405	R404-T407 WeakPolarHBondContact CD-OG1 3.24Å; R404-T407 WeakPolarHBondContact O-CB 3.36Å; R404-T407 PolarHBondContact O-N 3.44Å; R404-T407 VanDerWaalsContact O-N 3.14Å; V405-T407 PolarHBondContact O-N 2.96Å
408	Y	98.1	Very high	96.8	Very high	12 Å²	12	44.4 Å²	44.4	5%	0.047	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-102	9.4	-175.5	-58.3	-84.6	0	0	0	113.4	N271 I273 T403 R404 V405 T406 D410 W411 I412	N271-Y408 VanDerWaalsContact CA-OH 3.27Å; N271-Y408 WeakPolarHBondContact CA-OH 3.19Å; N271-Y408 HydrophobicContact CB-CE1 4.07Å; N271-Y408 PolarHBondContact N-OH 3.35Å; N271-Y408 VanDerWaalsContact OD1-CE1 3.28Å; N271-Y408 WeakPolarHBondContact OD1-CE1 3.26Å; N271-Y408 PolarHBondContact OD1-OH 2.91Å; I273-Y408 HydrophobicContact CD1-CD2 4.2Å; I273-Y408 HydrophobicContact CD1-CG 3.84Å; I273-Y408 HydrophobicContact CG2-CD1 3.8Å; I273-Y408 HydrophobicContact CG2-CE1 4.12Å; I273-Y408 HydrophobicContact CG2-CG 4.12Å; T403-Y408 HydrophobicContact CG2-CD2 3.65Å; T403-Y408 HydrophobicContact CG2-CE2 3.28Å; R404-Y408 WeakPolarHBondContact O-CD2 3.38Å; V405-Y408 PolarHBondContact O-N 3.4Å; T406-Y408 VanDerWaalsContact C-N 3.29Å; T406-Y408 PolarHBondContact O-N 2.88Å; Y408-D410 VanDerWaalsContact C-N 3.26Å; Y408-D410 PolarHBondContact O-N 3.19Å; Y408-W411 PolarHBondContact O-N 3.3Å; Y408-W411 VanDerWaalsContact O-N 3.11Å; Y408-I412 WeakPolarHBondContact O-CG1 3.4Å; Y408-I412 PolarHBondContact O-N 2.91Å
409	R	96.8	Very high	97.1	Very high	26 Å²	26	43.2 Å²	43.2	10%	0.098	22%	0.221	C	C	.	.	H	α-helix	trans	-59.4	-37.3	-173.6	-175	60	-176.1	92.3	-5.9	113.1	P294 A296 V405 T406 R413 I418	P294-R409 WeakPolarHBondContact O-CD 3.28Å; P294-R409 PolarHBondContact O-NE 2.95Å; A296-R409 HydrophobicContact CB-CB 3.99Å; A296-R409 HydrophobicContact CB-CG 4.34Å; V405-R409 PolarHBondContact O-N 2.8Å; T406-R409 PolarHBondContact O-N 3.27Å; R409-R413 WeakPolarHBondContact O-CB 3.17Å; R409-R413 PolarHBondContact O-N 3.32Å; R409-I418 PolarHBondContact NH1-O 2.69Å; R409-I418 VanDerWaalsContact NH2-C 3.32Å; R409-I418 PolarHBondContact NH2-O 2.82Å; R409-I418 PolarHBondContact NH2-OXT 2.7Å
410	D	96.3	Very high	97.2	Very high	91 Å²	91	44.6 Å²	44.6	49%	0.487	23%	0.227	S	C	.	.	H	α-helix	trans	-69.6	-40.8	177	-75	-25.4	0	0	0	112.6	Y408 R413 Q414	Y408-D410 VanDerWaalsContact C-N 3.26Å; Y408-D410 PolarHBondContact O-N 3.19Å; D410-R413 PolarHBondContact O-N 2.94Å; D410-R413 IonicContact OD1-CZ 3.8Å; D410-R413 IonicContact OD1-NE 3.51Å; D410-R413 IonicContact OD1-NH2 3.89Å; D410-R413 PolarHBondContact OD1-NH2 3.07Å; D410-Q414 WeakPolarHBondContact O-CB 3.26Å; D410-Q414 PolarHBondContact O-N 2.91Å
411	W	98.1	Very high	97.3	Very high	22 Å²	22	46.9 Å²	46.9	8%	0.083	24%	0.238	C	C	.	.	H	α-helix	trans	-62.9	-44.3	174.8	177.3	88.3	0	0	0	111	L223 H261 I273 L275 Y408 R413 Q414 R415	L223-W411 HydrophobicContact CD1-CZ3 4.5Å; H261-W411 HydrophobicContact CB-CZ2 4.14Å; H261-W411 AromaticContact CD2-CD1 3.49Å; H261-W411 VanDerWaalsContact CD2-CD1 3.49Å; H261-W411 AromaticContact CD2-CD2 3.63Å; H261-W411 AromaticContact CD2-CE2 3.52Å; H261-W411 AromaticContact CD2-CG 3.64Å; H261-W411 AromaticContact CD2-NE1 3.4Å; H261-W411 PolarHBondContact CD2-NE1 3.2Å; H261-W411 AromaticContact NE2-CD1 3.6Å; H261-W411 AromaticContact NE2-CG 3.89Å; H261-W411 AromaticContact NE2-NE1 3.92Å; I273-W411 HydrophobicContact CD1-CE3 4.19Å; I273-W411 HydrophobicContact CD1-CZ3 4.03Å; I273-W411 HydrophobicContact CG1-CZ3 3.91Å; I273-W411 HydrophobicContact CG2-CE3 4.26Å; I273-W411 HydrophobicContact CG2-CH2 4.39Å; I273-W411 HydrophobicContact CG2-CZ3 4.05Å; L275-W411 HydrophobicContact CB-CH2 4.32Å; L275-W411 HydrophobicContact CD1-CE3 4.25Å; L275-W411 HydrophobicContact CD1-CH2 3.66Å; L275-W411 HydrophobicContact CD1-CZ2 4.37Å; L275-W411 HydrophobicContact CD1-CZ3 3.58Å; L275-W411 HydrophobicContact CG-CH2 3.77Å; L275-W411 HydrophobicContact CG-CZ3 3.7Å; Y408-W411 PolarHBondContact O-N 3.3Å; Y408-W411 VanDerWaalsContact O-N 3.11Å; W411-R413 VanDerWaalsContact C-N 3.33Å; W411-R413 PolarHBondContact O-N 3.02Å; W411-Q414 PolarHBondContact O-N 2.94Å; W411-R415 HydrophobicContact CD2-CG 4.21Å; W411-R415 HydrophobicContact CZ2-CG 4.2Å; W411-R415 VanDerWaalsContact O-CG 3.29Å; W411-R415 WeakPolarHBondContact O-CG 3.35Å; W411-R415 PolarHBondContact O-N 3.31Å
412	I	98.4	Very high	97.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-57.5	-49	175.8	-63.4	164.8	0	0	0	110.1	I217 L223 I273 L293 V405 Y408 Q414 R415 T416	I217-I412 HydrophobicContact CD1-CG2 4.05Å; L223-I412 HydrophobicContact CD1-CD1 4.07Å; L223-I412 HydrophobicContact CD1-CG1 4.02Å; L223-I412 HydrophobicContact CD2-CD1 3.72Å; I273-I412 HydrophobicContact CD1-CD1 4.29Å; I273-I412 HydrophobicContact CD1-CG1 4.36Å; L293-I412 HydrophobicContact CD1-CG2 3.68Å; L293-I412 HydrophobicContact CD2-CD1 4.26Å; V405-I412 HydrophobicContact CG1-CD1 4.15Å; Y408-I412 WeakPolarHBondContact O-CG1 3.4Å; Y408-I412 PolarHBondContact O-N 2.91Å; I412-Q414 PolarHBondContact O-N 2.97Å; I412-R415 PolarHBondContact O-N 3.12Å; I412-T416 WeakPolarHBondContact O-CB 3.47Å; I412-T416 WeakPolarHBondContact O-CG2 3.49Å; I412-T416 PolarHBondContact O-N 3.36Å; I412-T416 PolarHBondContact O-OG1 2.96Å
413	R	96.8	Very high	97.2	Very high	139 Å²	139	52.6 Å²	52.6	53%	0.525	27%	0.267	S	S	.	.	H	α-helix	trans	-59.9	-46	178	-176.9	171.6	55	169.4	-2.5	112.3	R409 D410 W411 R415 T416 G417 I418	R409-R413 WeakPolarHBondContact O-CB 3.17Å; R409-R413 PolarHBondContact O-N 3.32Å; D410-R413 PolarHBondContact O-N 2.94Å; D410-R413 IonicContact OD1-CZ 3.8Å; D410-R413 IonicContact OD1-NE 3.51Å; D410-R413 IonicContact OD1-NH2 3.89Å; D410-R413 PolarHBondContact OD1-NH2 3.07Å; W411-R413 VanDerWaalsContact C-N 3.33Å; W411-R413 PolarHBondContact O-N 3.02Å; R413-R415 VanDerWaalsContact C-N 3.26Å; R413-R415 PolarHBondContact O-N 2.98Å; R413-T416 PolarHBondContact O-N 3.2Å; R413-G417 WeakPolarHBondContact O-CA 3.26Å; R413-G417 PolarHBondContact O-N 2.96Å; R413-I418 VanDerWaalsContact CA-O 3.24Å; R413-I418 WeakPolarHBondContact CA-O 3.17Å; R413-I418 WeakPolarHBondContact CB-O 3.31Å
414	Q	97.6	Very high	97.1	Very high	152 Å²	152	56.1 Å²	56.1	71%	0.71	28%	0.284	S	S	*	.	H	α-helix	trans	-60.5	-36.7	179.6	-172.9	-175.1	43	0	0	112.2	D410 W411 I412	D410-Q414 WeakPolarHBondContact O-CB 3.26Å; D410-Q414 PolarHBondContact O-N 2.91Å; W411-Q414 PolarHBondContact O-N 2.94Å; I412-Q414 PolarHBondContact O-N 2.97Å
415	R	98.1	Very high	97	Very high	97 Å²	97	56.3 Å²	56.3	37%	0.366	29%	0.29	S	S	.	.	H	α-helix	trans	-85.2	-27.1	-177.1	-62.9	-58.6	179.4	169.3	1.9	114	L259 L275 W411 I412 R413	L259-R415 HydrophobicContact CD1-CB 4.43Å; L275-R415 HydrophobicContact CD1-CB 3.49Å; L275-R415 VanDerWaalsContact CD1-CB 3.49Å; L275-R415 HydrophobicContact CD1-CG 4.12Å; W411-R415 HydrophobicContact CD2-CG 4.21Å; W411-R415 HydrophobicContact CZ2-CG 4.2Å; W411-R415 VanDerWaalsContact O-CG 3.29Å; W411-R415 WeakPolarHBondContact O-CG 3.35Å; W411-R415 PolarHBondContact O-N 3.31Å; I412-R415 PolarHBondContact O-N 3.12Å; R413-R415 VanDerWaalsContact C-N 3.26Å; R413-R415 PolarHBondContact O-N 2.98Å
416	T	97.1	Very high	96.8	Very high	25 Å²	25	60.6 Å²	60.6	15%	0.153	31%	0.313	C	S	.	.	H	α-helix	trans	-121.8	-22.1	-168.5	66.6	0	0	0	0	114.5	W221 L275 I412 R413 I418	W221-T416 HydrophobicContact CD2-CG2 3.61Å; W221-T416 HydrophobicContact CE3-CG2 3.92Å; W221-T416 HydrophobicContact CG-CG2 3.91Å; W221-T416 HydrophobicContact CH2-CG2 4.44Å; W221-T416 HydrophobicContact CZ2-CG2 4.19Å; W221-T416 HydrophobicContact CZ3-CG2 4.32Å; L275-T416 HydrophobicContact CD1-CG2 3.55Å; L275-T416 HydrophobicContact CD2-CG2 3.79Å; L275-T416 HydrophobicContact CG-CG2 4.28Å; I412-T416 WeakPolarHBondContact O-CB 3.47Å; I412-T416 WeakPolarHBondContact O-CG2 3.49Å; I412-T416 PolarHBondContact O-N 3.36Å; I412-T416 PolarHBondContact O-OG1 2.96Å; R413-T416 PolarHBondContact O-N 3.2Å; T416-I418 HydrophobicContact CG2-CD1 4.43Å; T416-I418 WeakPolarHBondContact OG1-CB 3.39Å; T416-I418 WeakPolarHBondContact OG1-CG1 3.39Å; T416-I418 PolarHBondContact OG1-N 2.74Å; T416-I418 VanDerWaalsContact OG1-N 3.12Å
417	G	94.5	Very high	96.8	Very high	69 Å²	69	64.6 Å²	64.6	71%	0.711	33%	0.332	S	S	*	.			trans	77	2.9	-168.3	0	0	0	0	0	114.7	R413	R413-G417 WeakPolarHBondContact O-CA 3.26Å; R413-G417 PolarHBondContact O-N 2.96Å
418	I	92.1	Very high	96.7	Very high	66 Å²	66	63.5 Å²	63.5	34%	0.338	32%	0.32	S	S	.	.			trans	-86.4	0	-179.1	-55.6	163.4	0	0	0	110.8	I217 S218 W221 L293 R409 R413 T416	I217-I418 HydrophobicContact CD1-CD1 4.06Å; I217-I418 HydrophobicContact CG1-CD1 4.25Å; S218-I418 WeakPolarHBondContact OG-CD1 3.32Å; W221-I418 HydrophobicContact CB-CD1 4.06Å; W221-I418 HydrophobicContact CG-CD1 4.15Å; L293-I418 HydrophobicContact CD1-CG2 4Å; R409-I418 PolarHBondContact NH1-O 2.69Å; R409-I418 VanDerWaalsContact NH2-C 3.32Å; R409-I418 PolarHBondContact NH2-O 2.82Å; R409-I418 PolarHBondContact NH2-OXT 2.7Å; R413-I418 VanDerWaalsContact CA-O 3.24Å; R413-I418 WeakPolarHBondContact CA-O 3.17Å; R413-I418 WeakPolarHBondContact CB-O 3.31Å; T416-I418 HydrophobicContact CG2-CD1 4.43Å; T416-I418 WeakPolarHBondContact OG1-CB 3.39Å; T416-I418 WeakPolarHBondContact OG1-CG1 3.39Å; T416-I418 PolarHBondContact OG1-N 2.74Å; T416-I418 VanDerWaalsContact OG1-N 3.12Å

Retrieved 418 of 418 residues in 144.2 ms (Link to these results)

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