A0A077Z450_TRITR Loading...

LRR 8 and LRRNT and I-set and fn3 domain containi ng protein

AlphaFold DB , UniProt , Accession A0A077Z450, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 702 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	46.5	Very low	50.1	Low	221 Å²	221	121.3 Å²	121.3	100%	1.089	62%	0.624	S	S	*	*				0	-41.6	0	-84.7	177.5	170.4	0	0	114.8	L3 A4	M1-L3 PolarHBondContact O-N 3.41Å; M1-A4 PolarHBondContact O-N 3.28Å
2	R	47.1	Very low	49.9	Very low	232 Å²	232	118.6 Å²	118.6	88%	0.875	61%	0.611	S	S	*	*	H	α-helix	trans	-65.3	-29.3	-177.1	-75.9	-176.4	177.2	179.6	-0.9	116	A4 S5	R2-A4 VanDerWaalsContact C-N 3.34Å; R2-A4 PolarHBondContact O-N 3.28Å; R2-S5 PolarHBondContact O-OG 3.01Å
3	L	47.8	Very low	49.5	Very low	144 Å²	144	116.3 Å²	116.3	75%	0.754	61%	0.61	S	S	*	*	H	α-helix	trans	-69.6	-26.2	173.4	-88.3	107.6	0	0	0	113.8	M1 S5	M1-L3 PolarHBondContact O-N 3.41Å; L3-S5 VanDerWaalsContact C-N 3.33Å; L3-S5 PolarHBondContact O-N 3.25Å
4	A	51	Low	49	Very low	69 Å²	69	115.1 Å²	115.1	57%	0.57	60%	0.603	S	S	*	*	H	α-helix	trans	-70.9	-29	178.7	0	0	0	0	0	112.5	M1 R2 A8	M1-A4 PolarHBondContact O-N 3.28Å; R2-A4 VanDerWaalsContact C-N 3.34Å; R2-A4 PolarHBondContact O-N 3.28Å; A4-A8 WeakPolarHBondContact O-CB 3.13Å; A4-A8 PolarHBondContact O-N 3.45Å
5	S	55.4	Low	48.4	Very low	63 Å²	63	116.4 Å²	116.4	44%	0.441	60%	0.602	S	S	.	*	H	α-helix	trans	-72.9	-33.1	-178.7	69.5	0	0	0	0	114	R2 L3 L9	R2-S5 PolarHBondContact O-OG 3.01Å; L3-S5 VanDerWaalsContact C-N 3.33Å; L3-S5 PolarHBondContact O-N 3.25Å; S5-L9 PolarHBondContact O-N 2.85Å
6	K	49.4	Very low	48	Very low	172 Å²	172	121.7 Å²	121.7	75%	0.748	61%	0.614	S	S	*	*	H	α-helix	trans	-76.4	-35.4	177.9	-77.6	-170.9	174.7	-173.5	0	112.3	S10	K6-S10 PolarHBondContact O-N 3.37Å; K6-S10 VanDerWaalsContact O-N 3.11Å; K6-S10 PolarHBondContact O-OG 2.9Å
7	F	51.7	Low	47.7	Very low	133 Å²	133	118.5 Å²	118.5	58%	0.583	61%	0.61	S	S	*	*	H	α-helix	trans	-69.4	-35.7	171.3	-86.8	-80.2	0	0	0	111.9	L9 S10 L11	F7-L9 PolarHBondContact O-N 3.5Å; F7-S10 PolarHBondContact O-N 3.27Å; F7-S10 PolarHBondContact O-OG 2.91Å; F7-L11 HydrophobicContact CB-CD1 4.48Å; F7-L11 WeakPolarHBondContact O-CB 3.28Å; F7-L11 WeakPolarHBondContact O-CD1 3.2Å; F7-L11 WeakPolarHBondContact O-CG 3.4Å; F7-L11 PolarHBondContact O-N 3.03Å
8	A	53.1	Low	47.5	Very low	47 Å²	47	119.1 Å²	119.1	39%	0.388	62%	0.615	S	S	.	*	H	α-helix	trans	-64.6	-38.1	175.6	0	0	0	0	0	112.5	A4 L12	A4-A8 WeakPolarHBondContact O-CB 3.13Å; A4-A8 PolarHBondContact O-N 3.45Å; A8-L12 WeakPolarHBondContact O-CB 3.44Å; A8-L12 WeakPolarHBondContact O-CD1 3.47Å; A8-L12 WeakPolarHBondContact O-CG 3.44Å; A8-L12 PolarHBondContact O-N 3.14Å
9	L	50.6	Low	47.4	Very low	119 Å²	119	118.9 Å²	118.9	62%	0.623	62%	0.619	S	S	*	*	H	α-helix	trans	-75.3	-33.9	176.7	-93.9	141	0	0	0	113.4	S5 F7 C13	S5-L9 PolarHBondContact O-N 2.85Å; F7-L9 PolarHBondContact O-N 3.5Å; L9-C13 WeakPolarHBondContact O-CB 3.37Å; L9-C13 PolarHBondContact O-N 3.24Å; L9-C13 PolarHBondContact O-SG 3.11Å
10	S	50.5	Low	47.2	Very low	50 Å²	50	122.2 Å²	122.2	35%	0.35	63%	0.631	S	S	.	*	H	α-helix	trans	-72	-37.4	171.5	68.4	0	0	0	0	111.7	K6 F7 C13 I14	K6-S10 PolarHBondContact O-N 3.37Å; K6-S10 VanDerWaalsContact O-N 3.11Å; K6-S10 PolarHBondContact O-OG 2.9Å; F7-S10 PolarHBondContact O-N 3.27Å; F7-S10 PolarHBondContact O-OG 2.91Å; S10-C13 PolarHBondContact O-N 3.35Å; S10-I14 VanDerWaalsContact O-CB 3.31Å; S10-I14 WeakPolarHBondContact O-CB 2.95Å; S10-I14 WeakPolarHBondContact O-CD1 3.49Å; S10-I14 WeakPolarHBondContact O-CG1 3.41Å; S10-I14 PolarHBondContact O-N 3.49Å
11	L	48.2	Very low	47.3	Very low	84 Å²	84	119.5 Å²	119.5	44%	0.44	63%	0.627	S	S	.	*	H	α-helix	trans	-69	-39.4	173.4	-81.1	153.2	0	0	0	111	F7 I14 F15	F7-L11 HydrophobicContact CB-CD1 4.48Å; F7-L11 WeakPolarHBondContact O-CB 3.28Å; F7-L11 WeakPolarHBondContact O-CD1 3.2Å; F7-L11 WeakPolarHBondContact O-CG 3.4Å; F7-L11 PolarHBondContact O-N 3.03Å; L11-I14 CarbonylContact O-C 3.55Å; L11-I14 PolarHBondContact O-N 3.48Å; L11-F15 HydrophobicContact CB-CD2 4.36Å; L11-F15 HydrophobicContact CD2-CD2 4.02Å; L11-F15 HydrophobicContact CD2-CE2 3.76Å; L11-F15 WeakPolarHBondContact O-CA 3.44Å; L11-F15 WeakPolarHBondContact O-CB 3.38Å; L11-F15 VanDerWaalsContact O-CD2 3.26Å; L11-F15 WeakPolarHBondContact O-CD2 3.36Å; L11-F15 PolarHBondContact O-N 3.35Å
12	L	47.8	Very low	47.8	Very low	89 Å²	89	116.7 Å²	116.7	47%	0.466	62%	0.616	S	S	.	*	H	α-helix	trans	-64.3	-41.6	173.2	-86.6	150.4	0	0	0	111.1	A8 I14 F15 Y16	A8-L12 WeakPolarHBondContact O-CB 3.44Å; A8-L12 WeakPolarHBondContact O-CD1 3.47Å; A8-L12 WeakPolarHBondContact O-CG 3.44Å; A8-L12 PolarHBondContact O-N 3.14Å; L12-I14 VanDerWaalsContact C-N 3.34Å; L12-I14 PolarHBondContact O-N 3.16Å; L12-F15 PolarHBondContact O-N 2.89Å; L12-Y16 HydrophobicContact CD2-CD2 4.23Å; L12-Y16 HydrophobicContact CD2-CE2 3.63Å; L12-Y16 WeakPolarHBondContact O-CB 3.44Å; L12-Y16 WeakPolarHBondContact O-CD2 3.45Å; L12-Y16 PolarHBondContact O-N 3.46Å
13	C	45.1	Very low	48.5	Very low	89 Å²	89	107.5 Å²	107.5	60%	0.601	58%	0.581	S	S	*	*	H	α-helix	trans	-69.6	-27	174.2	-74.1	0	0	0	0	113.9	L9 S10 A17	L9-C13 WeakPolarHBondContact O-CB 3.37Å; L9-C13 PolarHBondContact O-N 3.24Å; L9-C13 PolarHBondContact O-SG 3.11Å; S10-C13 PolarHBondContact O-N 3.35Å; C13-A17 WeakPolarHBondContact O-CB 3.45Å; C13-A17 PolarHBondContact O-N 2.78Å
14	I	42.5	Very low	49.1	Very low	99 Å²	99	104.1 Å²	104.1	51%	0.508	57%	0.568	S	S	.	*	H	α-helix	trans	-84.1	-28.9	174.9	-65.6	164.3	0	0	0	111.4	S10 L11 L12 A17 N18	S10-I14 VanDerWaalsContact O-CB 3.31Å; S10-I14 WeakPolarHBondContact O-CB 2.95Å; S10-I14 WeakPolarHBondContact O-CD1 3.49Å; S10-I14 WeakPolarHBondContact O-CG1 3.41Å; S10-I14 PolarHBondContact O-N 3.49Å; L11-I14 CarbonylContact O-C 3.55Å; L11-I14 PolarHBondContact O-N 3.48Å; L12-I14 VanDerWaalsContact C-N 3.34Å; L12-I14 PolarHBondContact O-N 3.16Å; I14-A17 PolarHBondContact O-N 3.11Å; I14-N18 PolarHBondContact O-N 3.48Å
15	F	39.1	Very low	49.6	Very low	135 Å²	135	101.8 Å²	101.8	59%	0.592	55%	0.548	S	S	*	.	H	α-helix	trans	-79.5	-32.3	175.6	-93.1	-91.8	0	0	0	112.4	L11 L12 A17	L11-F15 HydrophobicContact CB-CD2 4.36Å; L11-F15 HydrophobicContact CD2-CD2 4.02Å; L11-F15 HydrophobicContact CD2-CE2 3.76Å; L11-F15 WeakPolarHBondContact O-CA 3.44Å; L11-F15 WeakPolarHBondContact O-CB 3.38Å; L11-F15 VanDerWaalsContact O-CD2 3.26Å; L11-F15 WeakPolarHBondContact O-CD2 3.36Å; L11-F15 PolarHBondContact O-N 3.35Å; L12-F15 PolarHBondContact O-N 2.89Å; F15-A17 PolarHBondContact O-N 3.37Å
16	Y	42.4	Very low	50.3	Low	201 Å²	201	106.5 Å²	106.5	79%	0.788	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	-11.7	166.1	-79.4	-68.7	0	0	0	112.9	L12	L12-Y16 HydrophobicContact CD2-CD2 4.23Å; L12-Y16 HydrophobicContact CD2-CE2 3.63Å; L12-Y16 WeakPolarHBondContact O-CB 3.44Å; L12-Y16 WeakPolarHBondContact O-CD2 3.45Å; L12-Y16 PolarHBondContact O-N 3.46Å
17	A	42.9	Very low	51.9	Low	67 Å²	67	104 Å²	104	55%	0.554	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	-5.3	177.4	0	0	0	0	0	114.6	C13 I14 F15	C13-A17 WeakPolarHBondContact O-CB 3.45Å; C13-A17 PolarHBondContact O-N 2.78Å; I14-A17 PolarHBondContact O-N 3.11Å; F15-A17 PolarHBondContact O-N 3.37Å
18	N	43.6	Very low	53.7	Low	130 Å²	130	99.3 Å²	99.3	70%	0.695	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-142.2	8.4	-171.6	-84.9	-48.8	0	0	0	118.3	I14	I14-N18 PolarHBondContact O-N 3.48Å
19	V	46.2	Very low	55.5	Low	115 Å²	115	97.8 Å²	97.8	70%	0.697	53%	0.533	S	S	*	.			trans	-145.4	81.3	171.7	-168.6	0	0	0	0	112
20	E	42.2	Very low	57.5	Low	185 Å²	185	98.8 Å²	98.8	86%	0.864	54%	0.544	S	S	*	.	S	Bend	trans	175.6	118.2	152.8	-103.4	175.7	-162.5	0	0	106.5
21	A	50.6	Low	59.4	Low	65 Å²	65	100 Å²	100	54%	0.537	55%	0.551	S	S	.	*			cis	-152.6	143.3	-0.5	0	0	0	0	0	107.2	W23 L36	A21-W23 PolarHBondContact O-N 2.95Å; A21-L36 HydrophobicContact CB-CD1 3.82Å; A21-L36 WeakPolarHBondContact O-CD1 3.23Å
22	L	57.6	Low	61.6	Low	163 Å²	163	96.9 Å²	96.9	85%	0.853	54%	0.535	S	S	*	.			trans	-64.3	106.1	174.3	-94.7	88.1	0	0	0	109	P24	L22-P24 VanDerWaalsContact CB-CD 3.45Å; L22-P24 HydrophobicContact CB-CG 4.22Å; L22-P24 HydrophobicContact CD2-CG 3.92Å; L22-P24 HydrophobicContact CG-CG 4.34Å; L22-P24 WeakPolarHBondContact O-CD 3.43Å
23	W	61.9	Low	63.8	Low	39 Å²	39	100 Å²	100	15%	0.148	54%	0.541	C	S	.	.			trans	-105.9	75.2	146.9	-174.7	-85.8	0	0	0	109.5	A21 A25 L36 K47 P64 E66	A21-W23 PolarHBondContact O-N 2.95Å; W23-A25 HydrophobicContact CZ2-CB 4.01Å; W23-L36 HydrophobicContact CB-CD2 4.2Å; W23-L36 HydrophobicContact CB-CG 3.96Å; W23-K47 HydrophobicContact CD2-CB 4.28Å; W23-K47 HydrophobicContact CD2-CD 4.07Å; W23-K47 HydrophobicContact CD2-CG 3.87Å; W23-K47 HydrophobicContact CE3-CD 3.48Å; W23-K47 VanDerWaalsContact CE3-CD 3.48Å; W23-K47 HydrophobicContact CE3-CG 3.69Å; W23-K47 HydrophobicContact CG-CG 4.47Å; W23-K47 HydrophobicContact CH2-CD 3.77Å; W23-K47 HydrophobicContact CZ2-CD 4.24Å; W23-K47 HydrophobicContact CZ3-CD 3.36Å; W23-K47 HydrophobicContact CZ3-CG 4.09Å; W23-P64 HydrophobicContact CH2-CB 4.43Å; W23-P64 HydrophobicContact CZ2-CB 3.7Å; W23-P64 HydrophobicContact CZ2-CG 4.38Å; W23-E66 HydrophobicContact CH2-CB 3.64Å; W23-E66 HydrophobicContact CH2-CG 4.22Å; W23-E66 WeakPolarHBondContact CH2-OE2 3.39Å; W23-E66 HydrophobicContact CZ2-CB 4.48Å; W23-E66 HydrophobicContact CZ3-CB 4.24Å; W23-E66 WeakPolarHBondContact CZ3-OE2 3.41Å
24	P	60.4	Low	66.2	Low	73 Å²	73	96.8 Å²	96.8	47%	0.474	52%	0.519	S	S	.	.			trans	-86.6	100.1	141.7	31.7	-21.4	0	0	0	105.3	L22 D26	L22-P24 VanDerWaalsContact CB-CD 3.45Å; L22-P24 HydrophobicContact CB-CG 4.22Å; L22-P24 HydrophobicContact CD2-CG 3.92Å; L22-P24 HydrophobicContact CG-CG 4.34Å; L22-P24 WeakPolarHBondContact O-CD 3.43Å; P24-D26 PolarHBondContact O-N 2.89Å; P24-D26 VanDerWaalsContact O-N 3.12Å
25	A	61.6	Low	68.6	Low	19 Å²	19	94.2 Å²	94.2	16%	0.157	51%	0.505	C	S	.	.			trans	-59.2	118.4	152.9	0	0	0	0	0	105.4	W23 D27 C28 P64	W23-A25 HydrophobicContact CZ2-CB 4.01Å; A25-D27 PolarHBondContact O-N 3.2Å; A25-C28 PolarHBondContact O-N 3.09Å; A25-P64 HydrophobicContact CB-CB 4.07Å; A25-P64 HydrophobicContact CB-CG 3.49Å; A25-P64 VanDerWaalsContact CB-CG 3.49Å
26	D	70.1	Confident	71.2	Confident	162 Å²	162	90.3 Å²	90.3	87%	0.866	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-23.5	171.6	-75.1	-33.9	0	0	0	110.5	P24	P24-D26 PolarHBondContact O-N 2.89Å; P24-D26 VanDerWaalsContact O-N 3.12Å
27	D	81.8	Confident	73.6	Confident	119 Å²	119	84.3 Å²	84.3	64%	0.636	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	25.5	178.1	-59	-40.5	0	0	0	114.3	A25 P29	A25-D27 PolarHBondContact O-N 3.2Å; D27-P29 VanDerWaalsContact O-CD 3.23Å; D27-P29 WeakPolarHBondContact O-CD 3.45Å
28	C	90.1	Very high	75.9	Confident	35 Å²	35	86.9 Å²	86.9	24%	0.236	47%	0.466	C	S	.	.	P	Polyproline II helix	trans	-63.3	118.7	174.8	-165.5	0	0	0	0	110.6	A25 T30 C34	A25-C28 PolarHBondContact O-N 3.09Å; C28-T30 PolarHBondContact O-N 3.04Å; C28-C34 VanDerWaalsContact CA-SG 3.56Å; C28-C34 HydrophobicContact CB-CB 3.83Å; C28-C34 WeakPolarHBondContact CB-SG 3.24Å; C28-C34 WeakPolarHBondContact SG-CB 3.11Å; C28-C34 PolarHBondContact SG-N 3.29Å; C28-C34 CovalentContact SG-SG 2.04Å; C28-C34 PolarHBondContact SG-SG 2.86Å
29	P	91.5	Very high	78.2	Confident	15 Å²	15	81.9 Å²	81.9	10%	0.097	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-64.2	132.9	-175.8	-22.2	33.6	0	0	0	111	D27 C32 P60 E61 L63	D27-P29 VanDerWaalsContact O-CD 3.23Å; D27-P29 WeakPolarHBondContact O-CD 3.45Å; P29-C32 WeakPolarHBondContact O-CA 3.28Å; P29-C32 WeakPolarHBondContact O-CB 3.47Å; P29-C32 PolarHBondContact O-N 3.11Å; P29-P60 HydrophobicContact CB-CB 3.71Å; P29-P60 HydrophobicContact CG-CB 3.98Å; P29-E61 WeakPolarHBondContact CG-O 3.36Å; P29-L63 HydrophobicContact CG-CD2 4.12Å
30	T	90.8	Very high	80.3	Confident	140 Å²	140	84.4 Å²	84.4	86%	0.859	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	128.2	165.7	47.7	0	0	0	0	108.1	C28	C28-T30 PolarHBondContact O-N 3.04Å
31	P	91.2	Very high	82.5	Confident	77 Å²	77	80.7 Å²	80.7	50%	0.5	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	cis	-102.9	20.6	18.4	40.8	-39.3	0	0	0	116.5	S54 L56	P31-S54 VanDerWaalsContact CG-CB 3.46Å; P31-L56 HydrophobicContact CG-CD2 4.42Å
32	C	95.1	Very high	84.4	Confident	17 Å²	17	78.6 Å²	78.6	12%	0.115	40%	0.403	C	S	.	.			trans	-77.7	162	-176	-49	0	0	0	0	113.7	P29 V49 D50 C51	P29-C32 WeakPolarHBondContact O-CA 3.28Å; P29-C32 WeakPolarHBondContact O-CB 3.47Å; P29-C32 PolarHBondContact O-N 3.11Å; C32-V49 HydrophobicContact CB-CG1 3.91Å; C32-D50 CarbonylContact C-O 3.12Å; C32-D50 VanDerWaalsContact CA-O 3.29Å; C32-D50 WeakPolarHBondContact CA-O 3.43Å; C32-C51 HydrophobicContact CB-CB 3.99Å; C32-C51 WeakPolarHBondContact CB-SG 3.15Å; C32-C51 WeakPolarHBondContact SG-CB 3.37Å; C32-C51 CovalentContact SG-SG 2.03Å; C32-C51 PolarHBondContact SG-SG 2.94Å
33	R	94	Very high	86	Confident	156 Å²	156	79 Å²	79	59%	0.589	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.7	123.6	173.1	179.7	178.8	171.6	173.7	-1.7	110.3	E35 D50	R33-E35 IonicContact CZ-OE1 3.87Å; R33-E35 IonicContact CZ-OE2 3.08Å; R33-E35 IonicContact NE-OE1 3.65Å; R33-E35 IonicContact NE-OE2 2.9Å; R33-E35 PolarHBondContact NE-OE2 2.86Å; R33-E35 IonicContact NH2-OE1 3.95Å; R33-E35 IonicContact NH2-OE2 2.67Å; R33-E35 PolarHBondContact NH2-OE2 3.39Å; R33-D50 PolarHBondContact N-O 2.81Å; R33-D50 PolarHBondContact O-N 3.48Å
34	C	94.8	Very high	87.5	Confident	20 Å²	20	81.3 Å²	81.3	14%	0.135	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	126.1	178.7	-57.7	0	0	0	0	110.6	C28 T48	C28-C34 VanDerWaalsContact CA-SG 3.56Å; C28-C34 HydrophobicContact CB-CB 3.83Å; C28-C34 WeakPolarHBondContact CB-SG 3.24Å; C28-C34 WeakPolarHBondContact SG-CB 3.11Å; C28-C34 PolarHBondContact SG-N 3.29Å; C28-C34 CovalentContact SG-SG 2.04Å; C28-C34 PolarHBondContact SG-SG 2.86Å; C34-T48 VanDerWaalsContact CA-O 3.32Å; C34-T48 WeakPolarHBondContact CA-O 3.33Å
35	E	93.1	Very high	89.1	Confident	45 Å²	45	82.5 Å²	82.5	21%	0.21	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	162.1	179	66.4	-169.3	171.9	0	0	112.6	R33 R37 T48	R33-E35 IonicContact CZ-OE1 3.87Å; R33-E35 IonicContact CZ-OE2 3.08Å; R33-E35 IonicContact NE-OE1 3.65Å; R33-E35 IonicContact NE-OE2 2.9Å; R33-E35 PolarHBondContact NE-OE2 2.86Å; R33-E35 IonicContact NH2-OE1 3.95Å; R33-E35 IonicContact NH2-OE2 2.67Å; R33-E35 PolarHBondContact NH2-OE2 3.39Å; E35-R37 HydrophobicContact CG-CG 3.79Å; E35-R37 IonicContact OE1-CZ 3.76Å; E35-R37 IonicContact OE1-NE 2.93Å; E35-R37 PolarHBondContact OE1-NE 3.15Å; E35-R37 IonicContact OE1-NH2 2.77Å; E35-R37 PolarHBondContact OE1-NH2 3.43Å; E35-T48 PolarHBondContact N-O 3.42Å; E35-T48 WeakPolarHBondContact O-CA 3.17Å; E35-T48 WeakPolarHBondContact O-CB 3.11Å; E35-T48 PolarHBondContact O-N 2.84Å
36	L	93.6	Very high	90.7	Very high	54 Å²	54	81.6 Å²	81.6	28%	0.283	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	120.3	167.6	-66.7	175.8	0	0	0	109.3	A21 W23 L45 L46 K47	A21-L36 HydrophobicContact CB-CD1 3.82Å; A21-L36 WeakPolarHBondContact O-CD1 3.23Å; W23-L36 HydrophobicContact CB-CD2 4.2Å; W23-L36 HydrophobicContact CB-CG 3.96Å; L36-L45 HydrophobicContact CB-CD2 4.4Å; L36-L46 WeakPolarHBondContact CA-O 3.43Å; L36-K47 HydrophobicContact CD2-CB 4.4Å; L36-K47 HydrophobicContact CD2-CG 3.68Å
37	R	92.8	Very high	91.9	Very high	75 Å²	75	76.5 Å²	76.5	28%	0.283	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	133.5	175.1	-65.3	-166.6	172.5	164.3	0.5	110.8	E35 S39 L46 T48 D50	E35-R37 HydrophobicContact CG-CG 3.79Å; E35-R37 IonicContact OE1-CZ 3.76Å; E35-R37 IonicContact OE1-NE 2.93Å; E35-R37 PolarHBondContact OE1-NE 3.15Å; E35-R37 IonicContact OE1-NH2 2.77Å; E35-R37 PolarHBondContact OE1-NH2 3.43Å; R37-S39 PolarHBondContact O-N 3.11Å; R37-L46 PolarHBondContact N-O 2.72Å; R37-L46 PolarHBondContact O-N 3.47Å; R37-T48 HydrophobicContact CG-CG2 4.36Å; R37-D50 IonicContact CZ-OD2 3.34Å; R37-D50 IonicContact NH1-OD2 2.84Å; R37-D50 PolarHBondContact NH1-OD2 3.35Å; R37-D50 IonicContact NH2-OD2 2.77Å; R37-D50 PolarHBondContact NH2-OD2 3.02Å
38	H	91.5	Very high	92.6	Very high	120 Å²	120	71 Å²	71	56%	0.556	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.1	123.3	171.7	178.8	-90.5	0	0	0	109.6	L45	H38-L45 HydrophobicContact CB-CD2 4.03Å
39	S	91.4	Very high	92.9	Very high	25 Å²	25	69.3 Å²	69.3	18%	0.175	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	114	172.3	176.7	0	0	0	0	109.8	R37 R41 F42 Q43 E44	R37-S39 PolarHBondContact O-N 3.11Å; S39-R41 PolarHBondContact O-N 2.61Å; S39-R41 PolarHBondContact OG-N 2.79Å; S39-F42 PolarHBondContact O-N 2.94Å; S39-F42 WeakPolarHBondContact OG-CD2 3.41Å; S39-F42 PolarHBondContact OG-N 3.15Å; S39-Q43 WeakPolarHBondContact O-CA 3.41Å; S39-Q43 PolarHBondContact O-N 2.84Å; S39-E44 PolarHBondContact N-O 3.18Å
40	E	89.5	Confident	93.1	Very high	169 Å²	169	70 Å²	70	79%	0.79	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-34.7	172.7	-66.6	-176.2	171.9	0	0	112.2
41	R	88.6	Confident	93.4	Very high	106 Å²	106	63.3 Å²	63.3	40%	0.4	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-43.4	179.2	-177.2	-174.2	-179.5	114.1	-0.6	111.9	S39 E144 E145	S39-R41 PolarHBondContact O-N 2.61Å; S39-R41 PolarHBondContact OG-N 2.79Å; R41-E144 IonicContact NE-OE2 3.16Å; R41-E144 IonicContact NH2-OE2 3.88Å; R41-E144 PolarHBondContact NH2-OE2 3.37Å; R41-E145 IonicContact CZ-OE2 3.61Å; R41-E145 IonicContact NH1-OE2 3.12Å; R41-E145 PolarHBondContact NH1-OE2 2.91Å; R41-E145 IonicContact NH2-OE2 2.74Å
42	F	91.2	Very high	93.7	Very high	22 Å²	22	64.5 Å²	64.5	10%	0.096	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-8.5	-175.7	-55.4	-57	0	0	0	113	S39 E44 L46 V91 R120 V121	S39-F42 PolarHBondContact O-N 2.94Å; S39-F42 WeakPolarHBondContact OG-CD2 3.41Å; S39-F42 PolarHBondContact OG-N 3.15Å; F42-E44 HydrophobicContact CB-CG 3.86Å; F42-E44 PolarHBondContact O-N 3Å; F42-L46 HydrophobicContact CD2-CD1 3.51Å; F42-L46 HydrophobicContact CE2-CD1 4.12Å; F42-L46 HydrophobicContact CG-CD1 4.4Å; F42-V91 HydrophobicContact CD2-CG1 4.47Å; F42-V91 HydrophobicContact CE1-CG1 4.14Å; F42-V91 HydrophobicContact CE2-CG1 3.84Å; F42-V91 HydrophobicContact CZ-CG1 3.63Å; F42-R120 VanDerWaalsContact CD1-CZ 3.42Å; F42-R120 HydrophobicContact CE1-CB 4.15Å; F42-R120 HydrophobicContact CZ-CB 4.14Å; F42-V121 HydrophobicContact CZ-CG2 3.95Å
43	Q	92	Very high	93.8	Very high	170 Å²	170	68.3 Å²	68.3	79%	0.794	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	34.9	-177.9	-58.8	-172.6	-23	0	0	113.6	S39	S39-Q43 WeakPolarHBondContact O-CA 3.41Å; S39-Q43 PolarHBondContact O-N 2.84Å
44	E	93.1	Very high	93.9	Very high	88 Å²	88	62.1 Å²	62.1	41%	0.411	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	162.8	-176.4	66.3	-171.4	170.9	0	0	112.2	S39 F42 L46	S39-E44 PolarHBondContact N-O 3.18Å; F42-E44 HydrophobicContact CB-CG 3.86Å; F42-E44 PolarHBondContact O-N 3Å; E44-L46 HydrophobicContact CG-CD2 3.82Å; E44-L46 HydrophobicContact CG-CG 4.13Å
45	L	93.9	Very high	94	Very high	98 Å²	98	68.4 Å²	68.4	51%	0.513	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	125.6	172.3	-75.8	163.7	0	0	0	109.9	L36 H38	L36-L45 HydrophobicContact CB-CD2 4.4Å; H38-L45 HydrophobicContact CB-CD2 4.03Å
46	L	95.1	Very high	94.2	Very high	1 Å²	1	67.6 Å²	67.6	1%	0.005	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	138.6	-177.5	-64.5	179.7	0	0	0	112.6	L36 R37 F42 E44 T48 Q68 V69	L36-L46 WeakPolarHBondContact CA-O 3.43Å; R37-L46 PolarHBondContact N-O 2.72Å; R37-L46 PolarHBondContact O-N 3.47Å; F42-L46 HydrophobicContact CD2-CD1 3.51Å; F42-L46 HydrophobicContact CE2-CD1 4.12Å; F42-L46 HydrophobicContact CG-CD1 4.4Å; E44-L46 HydrophobicContact CG-CD2 3.82Å; E44-L46 HydrophobicContact CG-CG 4.13Å; L46-T48 PolarHBondContact O-N 3.3Å; L46-T48 VanDerWaalsContact O-N 3.12Å; L46-T48 PolarHBondContact O-OG1 3.35Å; L46-T48 VanDerWaalsContact O-OG1 3.1Å; L46-Q68 HydrophobicContact CB-CB 4.39Å; L46-Q68 HydrophobicContact CD2-CB 4.26Å; L46-V69 HydrophobicContact CB-CG2 3.79Å; L46-V69 HydrophobicContact CD1-CG2 3.63Å; L46-V69 HydrophobicContact CG-CG2 4.37Å
47	K	95.5	Very high	94.3	Very high	55 Å²	55	70 Å²	70	24%	0.239	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	105.8	172.7	-65.1	169.8	176.6	-176.2	0	109.8	W23 L36 E66 Q68 V69	W23-K47 HydrophobicContact CD2-CB 4.28Å; W23-K47 HydrophobicContact CD2-CD 4.07Å; W23-K47 HydrophobicContact CD2-CG 3.87Å; W23-K47 HydrophobicContact CE3-CD 3.48Å; W23-K47 VanDerWaalsContact CE3-CD 3.48Å; W23-K47 HydrophobicContact CE3-CG 3.69Å; W23-K47 HydrophobicContact CG-CG 4.47Å; W23-K47 HydrophobicContact CH2-CD 3.77Å; W23-K47 HydrophobicContact CZ2-CD 4.24Å; W23-K47 HydrophobicContact CZ3-CD 3.36Å; W23-K47 HydrophobicContact CZ3-CG 4.09Å; L36-K47 HydrophobicContact CD2-CB 4.4Å; L36-K47 HydrophobicContact CD2-CG 3.68Å; K47-E66 HydrophobicContact CD-CB 4.05Å; K47-E66 VanDerWaalsContact CD-O 3.25Å; K47-E66 WeakPolarHBondContact CD-O 3.06Å; K47-E66 IonicContact NZ-OE2 2.65Å; K47-E66 PolarHBondContact NZ-OE2 3.22Å; K47-Q68 HydrophobicContact CB-CG 4.42Å; K47-Q68 PolarHBondContact O-N 2.81Å; K47-V69 PolarHBondContact O-N 3.31Å
48	T	95.5	Very high	94.3	Very high	2 Å²	2	69 Å²	69	1%	0.012	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	130.6	-172.8	-55	0	0	0	0	111.2	C34 E35 R37 L46 V69 I71	C34-T48 VanDerWaalsContact CA-O 3.32Å; C34-T48 WeakPolarHBondContact CA-O 3.33Å; E35-T48 PolarHBondContact N-O 3.42Å; E35-T48 WeakPolarHBondContact O-CA 3.17Å; E35-T48 WeakPolarHBondContact O-CB 3.11Å; E35-T48 PolarHBondContact O-N 2.84Å; R37-T48 HydrophobicContact CG-CG2 4.36Å; L46-T48 PolarHBondContact O-N 3.3Å; L46-T48 VanDerWaalsContact O-N 3.12Å; L46-T48 PolarHBondContact O-OG1 3.35Å; L46-T48 VanDerWaalsContact O-OG1 3.1Å; T48-V69 CarbonylContact C-O 3.12Å; T48-V69 WeakPolarHBondContact CA-O 3.24Å; T48-V69 HydrophobicContact CG2-CB 3.89Å; T48-V69 HydrophobicContact CG2-CG1 3.84Å; T48-I71 HydrophobicContact CG2-CD1 4.01Å; T48-I71 HydrophobicContact CG2-CG1 4.48Å
49	V	96.4	Very high	94.4	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	114.8	167	-179	0	0	0	0	108	C32 L63 T67 V69 L70 I71	C32-V49 HydrophobicContact CB-CG1 3.91Å; V49-L63 HydrophobicContact CB-CD2 4.5Å; V49-L63 HydrophobicContact CG1-CD2 3.85Å; V49-T67 HydrophobicContact CB-CG2 4.03Å; V49-T67 HydrophobicContact CG2-CG2 3.6Å; V49-T67 VanDerWaalsContact CG2-OG1 3.28Å; V49-T67 WeakPolarHBondContact CG2-OG1 3.14Å; V49-V69 PolarHBondContact N-O 3.42Å; V49-L70 HydrophobicContact CB-CD1 4.01Å; V49-L70 HydrophobicContact CG1-CD1 4.07Å; V49-I71 PolarHBondContact O-N 3.25Å
50	D	96.4	Very high	94.4	Very high	29 Å²	29	64.8 Å²	64.8	16%	0.155	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	112	-177.7	-170.7	-9.4	0	0	0	110.9	C32 R33 R37 F52 I71	C32-D50 CarbonylContact C-O 3.12Å; C32-D50 VanDerWaalsContact CA-O 3.29Å; C32-D50 WeakPolarHBondContact CA-O 3.43Å; R33-D50 PolarHBondContact N-O 2.81Å; R33-D50 PolarHBondContact O-N 3.48Å; R37-D50 IonicContact CZ-OD2 3.34Å; R37-D50 IonicContact NH1-OD2 2.84Å; R37-D50 PolarHBondContact NH1-OD2 3.35Å; R37-D50 IonicContact NH2-OD2 2.77Å; R37-D50 PolarHBondContact NH2-OD2 3.02Å; D50-F52 WeakPolarHBondContact OD1-CB 3.47Å; D50-F52 PolarHBondContact OD1-N 2.87Å; D50-I71 HydrophobicContact CB-CB 4.47Å; D50-I71 HydrophobicContact CB-CD1 4.43Å
51	C	97.3	Very high	94.4	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.323	C	S	.	.			trans	-116.6	33.8	178.3	-46.1	0	0	0	0	110.9	C32 D53 S54 L56 I71 L72 N75	C32-C51 HydrophobicContact CB-CB 3.99Å; C32-C51 WeakPolarHBondContact CB-SG 3.15Å; C32-C51 WeakPolarHBondContact SG-CB 3.37Å; C32-C51 CovalentContact SG-SG 2.03Å; C32-C51 PolarHBondContact SG-SG 2.94Å; C51-D53 PolarHBondContact O-N 3.23Å; C51-S54 WeakPolarHBondContact O-CB 3.43Å; C51-S54 PolarHBondContact O-OG 2.82Å; C51-L56 HydrophobicContact CB-CD1 3.69Å; C51-I71 WeakPolarHBondContact CA-O 3.26Å; C51-I71 PolarHBondContact N-O 3.01Å; C51-L72 HydrophobicContact CB-CD2 3.81Å; C51-N75 PolarHBondContact O-ND2 2.74Å
52	F	96.9	Very high	94.3	Very high	103 Å²	103	66 Å²	66	45%	0.452	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	136.8	178.1	174.6	-98.8	0	0	0	112	D50 S54 R73 Q74	D50-F52 WeakPolarHBondContact OD1-CB 3.47Å; D50-F52 PolarHBondContact OD1-N 2.87Å; F52-S54 VanDerWaalsContact C-N 3.29Å; F52-S54 PolarHBondContact O-N 2.86Å; F52-S54 PolarHBondContact O-OG 2.77Å; F52-S54 VanDerWaalsContact O-OG 3.06Å; F52-R73 WeakPolarHBondContact CA-O 3.48Å; F52-R73 HydrophobicContact CD2-CB 4.08Å; F52-R73 HydrophobicContact CD2-CG 3.99Å; F52-R73 HydrophobicContact CE2-CG 4.06Å; F52-Q74 HydrophobicContact CD2-CB 4.06Å; F52-Q74 HydrophobicContact CE2-CB 3.65Å; F52-Q74 HydrophobicContact CE2-CG 4.28Å; F52-Q74 HydrophobicContact CZ-CB 4.26Å; F52-Q74 HydrophobicContact CZ-CG 4.41Å
53	D	97.2	Very high	94.3	Very high	96 Å²	96	66.4 Å²	66.4	51%	0.513	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.3	46.6	170.9	-159.8	30.4	0	0	0	114.4	C51 R73 Q74	C51-D53 PolarHBondContact O-N 3.23Å; D53-R73 PolarHBondContact N-O 3.44Å; D53-Q74 WeakPolarHBondContact CA-O 3.4Å; D53-Q74 HydrophobicContact CB-CB 4.27Å; D53-Q74 HydrophobicContact CB-CG 3.97Å; D53-Q74 WeakPolarHBondContact OD1-CG 3.16Å
54	S	97	Very high	94.4	Very high	27 Å²	27	59 Å²	59	19%	0.189	31%	0.308	C	S	.	.			trans	-107.3	14.4	-170.8	-74.1	0	0	0	0	113.3	P31 C51 F52 L56 N75	P31-S54 VanDerWaalsContact CG-CB 3.46Å; C51-S54 WeakPolarHBondContact O-CB 3.43Å; C51-S54 PolarHBondContact O-OG 2.82Å; F52-S54 VanDerWaalsContact C-N 3.29Å; F52-S54 PolarHBondContact O-N 2.86Å; F52-S54 PolarHBondContact O-OG 2.77Å; F52-S54 VanDerWaalsContact O-OG 3.06Å; S54-L56 PolarHBondContact O-N 2.92Å; S54-N75 PolarHBondContact N-OD1 2.88Å
55	E	95.5	Very high	94.2	Very high	152 Å²	152	59.1 Å²	59.1	71%	0.71	32%	0.315	S	S	*	.			trans	55.5	19.2	-177.1	-56.3	-174.4	-176	0	0	114.9	N75	E55-N75 PolarHBondContact N-OD1 3.39Å
56	L	97.2	Very high	94.1	Very high	27 Å²	27	58.4 Å²	58.4	14%	0.141	31%	0.309	C	S	.	.			trans	-67	135	-173	-62.7	174	0	0	0	111.9	P31 C51 S54 P60 L72 N75 H76 I77	P31-L56 HydrophobicContact CG-CD2 4.42Å; C51-L56 HydrophobicContact CB-CD1 3.69Å; S54-L56 PolarHBondContact O-N 2.92Å; L56-P60 HydrophobicContact CD1-CG 3.87Å; L56-L72 HydrophobicContact CD1-CD2 3.75Å; L56-N75 HydrophobicContact CB-CB 4.15Å; L56-N75 WeakPolarHBondContact CB-OD1 3.22Å; L56-N75 PolarHBondContact N-OD1 2.79Å; L56-H76 CarbonylContact O-C 3.5Å; L56-H76 VanDerWaalsContact O-CA 3.25Å; L56-H76 WeakPolarHBondContact O-CA 3.16Å; L56-H76 WeakPolarHBondContact O-CB 3.05Å; L56-H76 PolarHBondContact O-N 3.36Å; L56-I77 PolarHBondContact O-N 3.45Å
57	T	95.6	Very high	94.1	Very high	104 Å²	104	58.4 Å²	58.4	64%	0.638	31%	0.309	S	S	*	.	S	Bend	trans	-101.4	-13.4	176.3	57	0	0	0	0	113.6	H76 I77	T57-H76 HydrophobicContact CG2-CB 4.12Å; T57-I77 WeakPolarHBondContact O-CA 3.44Å
58	A	93.9	Very high	94.1	Very high	56 Å²	56	58 Å²	58	46%	0.463	31%	0.308	S	S	.	.	S	Bend	trans	-145.4	175.3	176	0	0	0	0	0	109.3
59	F	93.5	Very high	94.2	Very high	37 Å²	37	58.5 Å²	58.5	16%	0.162	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-64.7	143.3	172.3	-82.8	-125.7	0	0	0	110	L63 L70 L72 I77 L80 P81 W86 L93 L95	F59-L63 HydrophobicContact CD1-CD1 4.25Å; F59-L70 HydrophobicContact CD1-CD2 3.95Å; F59-L70 HydrophobicContact CE1-CD2 3.69Å; F59-L72 HydrophobicContact CD1-CD1 3.64Å; F59-L72 HydrophobicContact CD2-CD1 3.98Å; F59-L72 HydrophobicContact CE1-CD1 3.47Å; F59-L72 VanDerWaalsContact CE1-CD1 3.47Å; F59-L72 HydrophobicContact CE2-CD1 3.82Å; F59-L72 HydrophobicContact CG-CD1 3.9Å; F59-L72 HydrophobicContact CZ-CD1 3.57Å; F59-I77 HydrophobicContact CD2-CD1 4.22Å; F59-I77 HydrophobicContact CD2-CG2 4.41Å; F59-I77 HydrophobicContact CE2-CD1 4.36Å; F59-I77 HydrophobicContact CE2-CG2 4.35Å; F59-L80 HydrophobicContact CE2-CD2 4.37Å; F59-P81 HydrophobicContact CD1-CG 4.22Å; F59-P81 HydrophobicContact CD2-CG 4.39Å; F59-P81 HydrophobicContact CE1-CG 4.17Å; F59-P81 HydrophobicContact CE2-CG 4.35Å; F59-P81 HydrophobicContact CG-CG 4.33Å; F59-P81 HydrophobicContact CZ-CG 4.23Å; F59-W86 HydrophobicContact CE1-CH2 4.35Å; F59-W86 AromaticContact CE1-CZ3 3.96Å; F59-W86 HydrophobicContact CE1-CZ3 3.96Å; F59-W86 HydrophobicContact CZ-CH2 4.05Å; F59-W86 HydrophobicContact CZ-CZ3 4.1Å; F59-L93 HydrophobicContact CE1-CD1 4.43Å; F59-L93 HydrophobicContact CZ-CD1 4.47Å; F59-L95 HydrophobicContact CE2-CD2 3.77Å; F59-L95 HydrophobicContact CZ-CD1 4.19Å; F59-L95 HydrophobicContact CZ-CD2 3.75Å; F59-L95 HydrophobicContact CZ-CG 4.43Å
60	P	92	Very high	94.2	Very high	18 Å²	18	58.5 Å²	58.5	12%	0.117	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-58.3	141.3	174.4	-21.1	30.4	0	0	0	111.9	P29 L56 L63 L72	P29-P60 HydrophobicContact CB-CB 3.71Å; P29-P60 HydrophobicContact CG-CB 3.98Å; L56-P60 HydrophobicContact CD1-CG 3.87Å; P60-L63 HydrophobicContact CB-CD2 4.29Å; P60-L63 HydrophobicContact CB-CG 4.33Å; P60-L63 HydrophobicContact CG-CD2 4.35Å; P60-L72 HydrophobicContact CG-CD2 4.21Å
61	E	88.3	Confident	94.3	Very high	166 Å²	166	58.4 Å²	58.4	78%	0.776	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	153.4	169.1	-63.4	-177.1	177.7	0	0	110.1	P29 L63	P29-E61 WeakPolarHBondContact CG-O 3.36Å; E61-L63 PolarHBondContact O-N 3.07Å
62	N	87.3	Confident	94.3	Very high	135 Å²	135	58.4 Å²	58.4	72%	0.722	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	37.7	176.7	-52.7	-37.9	0	0	0	115.2
63	L	91.8	Very high	94.4	Very high	30 Å²	30	58.3 Å²	58.3	16%	0.157	31%	0.307	C	S	.	.			trans	-59.6	131.5	169.9	-75.3	166.3	0	0	0	110.7	P29 V49 F59 P60 E61 T65 L70 L87	P29-L63 HydrophobicContact CG-CD2 4.12Å; V49-L63 HydrophobicContact CB-CD2 4.5Å; V49-L63 HydrophobicContact CG1-CD2 3.85Å; F59-L63 HydrophobicContact CD1-CD1 4.25Å; P60-L63 HydrophobicContact CB-CD2 4.29Å; P60-L63 HydrophobicContact CB-CG 4.33Å; P60-L63 HydrophobicContact CG-CD2 4.35Å; E61-L63 PolarHBondContact O-N 3.07Å; L63-T65 PolarHBondContact O-N 2.91Å; L63-L70 HydrophobicContact CD1-CD1 4.44Å; L63-L70 HydrophobicContact CD1-CD2 3.93Å; L63-L70 HydrophobicContact CD2-CD1 3.91Å; L63-L87 HydrophobicContact CB-CD1 4.29Å; L63-L87 HydrophobicContact CB-CD2 4.02Å; L63-L87 HydrophobicContact CD1-CD1 4.24Å
64	P	92.5	Very high	94.4	Very high	15 Å²	15	57.3 Å²	57.3	10%	0.097	30%	0.299	C	S	.	.			trans	-58.5	129.7	176.9	-25.1	33.8	0	0	0	111.8	W23 A25 E66 T67 L87	W23-P64 HydrophobicContact CH2-CB 4.43Å; W23-P64 HydrophobicContact CZ2-CB 3.7Å; W23-P64 HydrophobicContact CZ2-CG 4.38Å; A25-P64 HydrophobicContact CB-CB 4.07Å; A25-P64 HydrophobicContact CB-CG 3.49Å; A25-P64 VanDerWaalsContact CB-CG 3.49Å; P64-E66 PolarHBondContact O-N 2.73Å; P64-E66 VanDerWaalsContact O-N 3.17Å; P64-T67 WeakPolarHBondContact O-CB 3.22Å; P64-T67 PolarHBondContact O-N 2.78Å; P64-T67 PolarHBondContact O-OG1 3.21Å; P64-L87 WeakPolarHBondContact O-CD2 3.4Å
65	T	90.4	Very high	94.5	Very high	91 Å²	91	56.2 Å²	56.2	56%	0.558	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-26.4	-173.1	47.4	0	0	0	0	114.4	L63 T67 P88	L63-T65 PolarHBondContact O-N 2.91Å; T65-T67 VanDerWaalsContact C-N 3.25Å; T65-T67 PolarHBondContact O-N 2.9Å; T65-P88 WeakPolarHBondContact O-CD 3.34Å
66	E	91.6	Very high	94.6	Very high	83 Å²	83	52 Å²	52	39%	0.388	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	9.8	-178.6	-47.3	159.6	-162.1	0	0	112.1	W23 K47 P64 Q68	W23-E66 HydrophobicContact CH2-CB 3.64Å; W23-E66 HydrophobicContact CH2-CG 4.22Å; W23-E66 WeakPolarHBondContact CH2-OE2 3.39Å; W23-E66 HydrophobicContact CZ2-CB 4.48Å; W23-E66 HydrophobicContact CZ3-CB 4.24Å; W23-E66 WeakPolarHBondContact CZ3-OE2 3.41Å; K47-E66 HydrophobicContact CD-CB 4.05Å; K47-E66 VanDerWaalsContact CD-O 3.25Å; K47-E66 WeakPolarHBondContact CD-O 3.06Å; K47-E66 IonicContact NZ-OE2 2.65Å; K47-E66 PolarHBondContact NZ-OE2 3.22Å; P64-E66 PolarHBondContact O-N 2.73Å; P64-E66 VanDerWaalsContact O-N 3.17Å; E66-Q68 PolarHBondContact O-N 3.4Å
67	T	94.2	Very high	94.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.265	C	S	.	.			trans	-63.1	121.3	176.4	-64.1	0	0	0	0	110	V49 P64 T65 V69 L70 L87 L90	V49-T67 HydrophobicContact CB-CG2 4.03Å; V49-T67 HydrophobicContact CG2-CG2 3.6Å; V49-T67 VanDerWaalsContact CG2-OG1 3.28Å; V49-T67 WeakPolarHBondContact CG2-OG1 3.14Å; P64-T67 WeakPolarHBondContact O-CB 3.22Å; P64-T67 PolarHBondContact O-N 2.78Å; P64-T67 PolarHBondContact O-OG1 3.21Å; T65-T67 VanDerWaalsContact C-N 3.25Å; T65-T67 PolarHBondContact O-N 2.9Å; T67-V69 WeakPolarHBondContact CG2-O 3.34Å; T67-L70 HydrophobicContact CG2-CB 4.35Å; T67-L87 HydrophobicContact CG2-CD1 3.94Å; T67-L90 HydrophobicContact CG2-CD1 4.47Å
68	Q	95.9	Very high	94.5	Very high	48 Å²	48	53.3 Å²	53.3	22%	0.224	26%	0.263	C	S	.	.			trans	-99.4	-27.4	-179.7	-63.8	173.3	-63.7	0	0	112.4	L46 K47 E66 D89 V91 H92	L46-Q68 HydrophobicContact CB-CB 4.39Å; L46-Q68 HydrophobicContact CD2-CB 4.26Å; K47-Q68 HydrophobicContact CB-CG 4.42Å; K47-Q68 PolarHBondContact O-N 2.81Å; E66-Q68 PolarHBondContact O-N 3.4Å; Q68-D89 WeakPolarHBondContact CA-O 3.36Å; Q68-D89 HydrophobicContact CG-CB 4.29Å; Q68-V91 WeakPolarHBondContact O-CA 3.16Å; Q68-V91 PolarHBondContact O-N 2.78Å; Q68-H92 PolarHBondContact O-N 3.35Å
69	V	96.9	Very high	94.3	Very high	11 Å²	11	53.8 Å²	53.8	7%	0.067	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	124.4	177.1	-176.7	0	0	0	0	109	L46 K47 T48 V49 T67 I71 H92	L46-V69 HydrophobicContact CB-CG2 3.79Å; L46-V69 HydrophobicContact CD1-CG2 3.63Å; L46-V69 HydrophobicContact CG-CG2 4.37Å; K47-V69 PolarHBondContact O-N 3.31Å; T48-V69 CarbonylContact C-O 3.12Å; T48-V69 WeakPolarHBondContact CA-O 3.24Å; T48-V69 HydrophobicContact CG2-CB 3.89Å; T48-V69 HydrophobicContact CG2-CG1 3.84Å; V49-V69 PolarHBondContact N-O 3.42Å; T67-V69 WeakPolarHBondContact CG2-O 3.34Å; V69-I71 HydrophobicContact CG1-CD1 4.4Å; V69-I71 HydrophobicContact CG1-CG1 4.07Å; V69-H92 WeakPolarHBondContact CA-O 3.28Å; V69-H92 HydrophobicContact CB-CB 4.48Å; V69-H92 HydrophobicContact CG1-CB 4.1Å; V69-H92 HydrophobicContact CG2-CB 4.13Å
70	L	96.9	Very high	94.2	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	116.5	176	-179.8	59.2	0	0	0	109.7	V49 F59 L63 T67 L72 L87 L90 H92 L93 D94	V49-L70 HydrophobicContact CB-CD1 4.01Å; V49-L70 HydrophobicContact CG1-CD1 4.07Å; F59-L70 HydrophobicContact CD1-CD2 3.95Å; F59-L70 HydrophobicContact CE1-CD2 3.69Å; L63-L70 HydrophobicContact CD1-CD1 4.44Å; L63-L70 HydrophobicContact CD1-CD2 3.93Å; L63-L70 HydrophobicContact CD2-CD1 3.91Å; T67-L70 HydrophobicContact CG2-CB 4.35Å; L70-L72 HydrophobicContact CD1-CD1 4.37Å; L70-L72 HydrophobicContact CD1-CG 4.14Å; L70-L72 HydrophobicContact CD2-CD1 3.78Å; L70-L72 HydrophobicContact CD2-CG 4.4Å; L70-L72 HydrophobicContact CG-CD1 3.92Å; L70-L72 HydrophobicContact CG-CG 4.01Å; L70-L87 HydrophobicContact CD2-CD1 4.19Å; L70-L90 HydrophobicContact CB-CD1 3.74Å; L70-H92 PolarHBondContact N-O 2.83Å; L70-L93 HydrophobicContact CB-CD1 3.98Å; L70-L93 HydrophobicContact CD2-CD1 3.93Å; L70-L93 HydrophobicContact CG-CD1 4.03Å; L70-D94 PolarHBondContact O-N 2.85Å
71	I	97.6	Very high	94	Very high	26 Å²	26	52.8 Å²	52.8	13%	0.133	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	109	179.1	-56.3	170.4	0	0	0	108.1	T48 V49 D50 C51 V69 R73 D94	T48-I71 HydrophobicContact CG2-CD1 4.01Å; T48-I71 HydrophobicContact CG2-CG1 4.48Å; V49-I71 PolarHBondContact O-N 3.25Å; D50-I71 HydrophobicContact CB-CB 4.47Å; D50-I71 HydrophobicContact CB-CD1 4.43Å; C51-I71 WeakPolarHBondContact CA-O 3.26Å; C51-I71 PolarHBondContact N-O 3.01Å; V69-I71 HydrophobicContact CG1-CD1 4.4Å; V69-I71 HydrophobicContact CG1-CG1 4.07Å; I71-R73 HydrophobicContact CG2-CB 4.08Å; I71-D94 HydrophobicContact CG2-CB 4.42Å
72	L	98	Very high	93.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.233	C	C	.	.			trans	-116.2	22.3	176.7	-72	166.2	0	0	0	111.2	C51 L56 F59 P60 L70 N75 I77 D94 L95 N98	C51-L72 HydrophobicContact CB-CD2 3.81Å; L56-L72 HydrophobicContact CD1-CD2 3.75Å; F59-L72 HydrophobicContact CD1-CD1 3.64Å; F59-L72 HydrophobicContact CD2-CD1 3.98Å; F59-L72 HydrophobicContact CE1-CD1 3.47Å; F59-L72 VanDerWaalsContact CE1-CD1 3.47Å; F59-L72 HydrophobicContact CE2-CD1 3.82Å; F59-L72 HydrophobicContact CG-CD1 3.9Å; F59-L72 HydrophobicContact CZ-CD1 3.57Å; P60-L72 HydrophobicContact CG-CD2 4.21Å; L70-L72 HydrophobicContact CD1-CD1 4.37Å; L70-L72 HydrophobicContact CD1-CG 4.14Å; L70-L72 HydrophobicContact CD2-CD1 3.78Å; L70-L72 HydrophobicContact CD2-CG 4.4Å; L70-L72 HydrophobicContact CG-CD1 3.92Å; L70-L72 HydrophobicContact CG-CG 4.01Å; L72-N75 VanDerWaalsContact C-ND2 3.35Å; L72-N75 PolarHBondContact O-ND2 3.16Å; L72-I77 HydrophobicContact CB-CD1 3.99Å; L72-I77 HydrophobicContact CD1-CD1 4.02Å; L72-I77 HydrophobicContact CD2-CD1 4.12Å; L72-I77 HydrophobicContact CG-CD1 4.29Å; L72-D94 CarbonylContact C-O 2.97Å; L72-D94 WeakPolarHBondContact CA-O 3.32Å; L72-D94 PolarHBondContact N-O 2.8Å; L72-L95 HydrophobicContact CB-CD2 3.85Å; L72-L95 HydrophobicContact CD1-CD2 3.83Å; L72-N98 PolarHBondContact O-ND2 3.24Å
73	R	98	Very high	93.4	Very high	101 Å²	101	44.5 Å²	44.5	38%	0.381	22%	0.216	S	C	.	.			trans	-59.5	146.3	-179.3	174.9	173.9	-178.6	174.5	4.6	112.1	F52 D53 I71 N75 D94 S96 H97	F52-R73 WeakPolarHBondContact CA-O 3.48Å; F52-R73 HydrophobicContact CD2-CB 4.08Å; F52-R73 HydrophobicContact CD2-CG 3.99Å; F52-R73 HydrophobicContact CE2-CG 4.06Å; D53-R73 PolarHBondContact N-O 3.44Å; I71-R73 HydrophobicContact CG2-CB 4.08Å; R73-N75 PolarHBondContact O-ND2 3.43Å; R73-D94 PolarHBondContact N-O 2.87Å; R73-S96 VanDerWaalsContact CA-O 3.23Å; R73-S96 WeakPolarHBondContact CA-O 3.5Å; R73-S96 VanDerWaalsContact CD-OG 3.27Å; R73-S96 WeakPolarHBondContact CD-OG 3.45Å; R73-S96 VanDerWaalsContact CG-OG 3.24Å; R73-S96 WeakPolarHBondContact CG-OG 3.27Å; R73-H97 PolarHBondContact NH2-NE2 2.99Å
74	Q	98.3	Very high	92.7	Very high	76 Å²	76	51.6 Å²	51.6	36%	0.355	25%	0.248	S	C	.	.	S	Bend	trans	63.3	47.3	173.6	-168.7	63.9	30	0	0	112.2	F52 D53 S96 H97	F52-Q74 HydrophobicContact CD2-CB 4.06Å; F52-Q74 HydrophobicContact CE2-CB 3.65Å; F52-Q74 HydrophobicContact CE2-CG 4.28Å; F52-Q74 HydrophobicContact CZ-CB 4.26Å; F52-Q74 HydrophobicContact CZ-CG 4.41Å; D53-Q74 WeakPolarHBondContact CA-O 3.4Å; D53-Q74 HydrophobicContact CB-CB 4.27Å; D53-Q74 HydrophobicContact CB-CG 3.97Å; D53-Q74 WeakPolarHBondContact OD1-CG 3.16Å; Q74-S96 PolarHBondContact N-O 2.98Å; Q74-H97 VanDerWaalsContact CA-O 3.31Å; Q74-H97 WeakPolarHBondContact CA-O 3.17Å; Q74-H97 HydrophobicContact CB-CB 4.37Å; Q74-H97 PolarHBondContact N-O 3.37Å
75	N	98.5	Very high	92.3	Very high	4 Å²	4	56.3 Å²	56.3	2%	0.021	27%	0.272	C	S	.	.	S	Bend	trans	-121	-164.6	177.9	-79.3	-67.1	0	0	0	110.9	C51 S54 E55 L56 L72 R73 I77 H97 N98	C51-N75 PolarHBondContact O-ND2 2.74Å; S54-N75 PolarHBondContact N-OD1 2.88Å; E55-N75 PolarHBondContact N-OD1 3.39Å; L56-N75 HydrophobicContact CB-CB 4.15Å; L56-N75 WeakPolarHBondContact CB-OD1 3.22Å; L56-N75 PolarHBondContact N-OD1 2.79Å; L72-N75 VanDerWaalsContact C-ND2 3.35Å; L72-N75 PolarHBondContact O-ND2 3.16Å; R73-N75 PolarHBondContact O-ND2 3.43Å; N75-I77 HydrophobicContact CB-CD1 4.43Å; N75-I77 HydrophobicContact CB-CG1 4.23Å; N75-H97 PolarHBondContact N-O 3.43Å; N75-N98 WeakPolarHBondContact CA-OD1 3.5Å; N75-N98 WeakPolarHBondContact CB-OD1 3.25Å; N75-N98 PolarHBondContact O-OD1 2.92Å
76	H	97.7	Very high	92.2	Very high	63 Å²	63	53.2 Å²	53.2	29%	0.292	25%	0.25	S	S	.	.			trans	-118.1	19.6	-177.3	-64.6	-18	0	0	0	112.9	L56 T57 R78 N98 R99	L56-H76 CarbonylContact O-C 3.5Å; L56-H76 VanDerWaalsContact O-CA 3.25Å; L56-H76 WeakPolarHBondContact O-CA 3.16Å; L56-H76 WeakPolarHBondContact O-CB 3.05Å; L56-H76 PolarHBondContact O-N 3.36Å; T57-H76 HydrophobicContact CG2-CB 4.12Å; H76-R78 PolarHBondContact O-N 2.04Å; H76-N98 PolarHBondContact N-OD1 3.43Å; H76-R99 PolarHBondContact CE1-NH2 2.93Å; H76-R99 PolarHBondContact ND1-NH2 2.48Å
77	I	96.8	Very high	92.2	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.235	C	C	.	.			trans	-64.8	131.3	-176.1	-58	173.9	0	0	0	110.1	L56 T57 F59 L72 N75 L79 L95 N98 R99 I100	L56-I77 PolarHBondContact O-N 3.45Å; T57-I77 WeakPolarHBondContact O-CA 3.44Å; F59-I77 HydrophobicContact CD2-CD1 4.22Å; F59-I77 HydrophobicContact CD2-CG2 4.41Å; F59-I77 HydrophobicContact CE2-CD1 4.36Å; F59-I77 HydrophobicContact CE2-CG2 4.35Å; L72-I77 HydrophobicContact CB-CD1 3.99Å; L72-I77 HydrophobicContact CD1-CD1 4.02Å; L72-I77 HydrophobicContact CD2-CD1 4.12Å; L72-I77 HydrophobicContact CG-CD1 4.29Å; N75-I77 HydrophobicContact CB-CD1 4.43Å; N75-I77 HydrophobicContact CB-CG1 4.23Å; I77-L79 VanDerWaalsContact CG2-O 3.26Å; I77-L79 WeakPolarHBondContact CG2-O 3.38Å; I77-L95 HydrophobicContact CD1-CD2 4.23Å; I77-N98 HydrophobicContact CB-CB 4.43Å; I77-N98 WeakPolarHBondContact CB-OD1 3.46Å; I77-N98 PolarHBondContact N-OD1 3.14Å; I77-R99 CarbonylContact O-C 3.51Å; I77-R99 VanDerWaalsContact O-C 3.24Å; I77-R99 WeakPolarHBondContact O-CA 3.43Å; I77-R99 PolarHBondContact O-N 3.25Å; I77-I100 HydrophobicContact CG2-CG1 4.47Å; I77-I100 PolarHBondContact O-N 3.4Å
78	R	94.5	Very high	92	Very high	158 Å²	158	53.7 Å²	53.7	60%	0.596	26%	0.26	S	S	*	.			trans	-109.4	-28.6	-179	-64.9	-178	-177.2	-175.7	1.5	113.8	H76 R99	H76-R78 PolarHBondContact O-N 2.04Å; R78-R99 HydrophobicContact CG-CB 4.02Å
79	L	90.7	Very high	91.9	Very high	67 Å²	67	54.8 Å²	54.8	35%	0.351	27%	0.267	S	S	.	.	S	Bend	trans	-130.6	146.2	-172.1	-64.8	170.2	0	0	0	109.7	I77 E106	I77-L79 VanDerWaalsContact CG2-O 3.26Å; I77-L79 WeakPolarHBondContact CG2-O 3.38Å; L79-E106 HydrophobicContact CD1-CG 3.62Å; L79-E106 WeakPolarHBondContact CD1-OE1 3.46Å; L79-E106 HydrophobicContact CD2-CG 4.2Å
80	L	90.9	Very high	91.8	Very high	16 Å²	16	54.3 Å²	54.3	8%	0.084	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-84.9	150.3	171.4	-65.8	173.1	0	0	0	109.4	F59 W86 L95 I100 L103 V112 F113	F59-L80 HydrophobicContact CE2-CD2 4.37Å; L80-W86 HydrophobicContact CB-CZ2 4.44Å; L80-W86 HydrophobicContact CD2-CH2 4.29Å; L80-L95 HydrophobicContact CD2-CD1 3.49Å; L80-L95 VanDerWaalsContact CD2-CD1 3.49Å; L80-I100 HydrophobicContact CD2-CD1 3.98Å; L80-L103 HydrophobicContact CD1-CD2 3.77Å; L80-V112 HydrophobicContact CB-CB 4.34Å; L80-V112 HydrophobicContact CB-CG1 4.48Å; L80-V112 HydrophobicContact CB-CG2 4.18Å; L80-V112 HydrophobicContact CD1-CG2 3.66Å; L80-F113 HydrophobicContact CD1-CE1 4.26Å; L80-F113 HydrophobicContact CD1-CE2 3.82Å; L80-F113 HydrophobicContact CD1-CZ 3.49Å; L80-F113 VanDerWaalsContact CD1-CZ 3.49Å
81	P	87.4	Confident	91.8	Very high	18 Å²	18	55.1 Å²	55.1	12%	0.117	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-65.1	161.7	176.6	28.8	-35	0	0	0	111.6	F59 L85 W86	F59-P81 HydrophobicContact CD1-CG 4.22Å; F59-P81 HydrophobicContact CD2-CG 4.39Å; F59-P81 HydrophobicContact CE1-CG 4.17Å; F59-P81 HydrophobicContact CE2-CG 4.35Å; F59-P81 HydrophobicContact CG-CG 4.33Å; F59-P81 HydrophobicContact CZ-CG 4.23Å; P81-L85 HydrophobicContact CB-CB 3.81Å; P81-L85 HydrophobicContact CB-CD2 4.2Å; P81-W86 HydrophobicContact CG-CD2 4.24Å; P81-W86 HydrophobicContact CG-CE3 4.47Å; P81-W86 HydrophobicContact CG-CH2 4.09Å; P81-W86 HydrophobicContact CG-CZ2 3.85Å; P81-W86 HydrophobicContact CG-CZ3 4.37Å
82	S	84.6	Confident	91.8	Very high	49 Å²	49	56.3 Å²	56.3	34%	0.343	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-67.6	163.1	172.2	58.6	0	0	0	0	111.3	E84 L85	S82-E84 PolarHBondContact O-N 2.82Å; S82-E84 VanDerWaalsContact O-N 3.08Å; S82-L85 PolarHBondContact O-N 3.29Å; S82-L85 VanDerWaalsContact O-N 3.08Å
83	Q	79.3	Confident	91.8	Very high	77 Å²	77	56.3 Å²	56.3	36%	0.36	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-51.8	-34.7	-175	165.6	163.9	18.7	0	0	114	L85 D114	Q83-L85 VanDerWaalsContact C-N 3.33Å; Q83-L85 PolarHBondContact O-N 2.86Å; Q83-D114 VanDerWaalsContact CD-O 3.29Å; Q83-D114 WeakPolarHBondContact CG-O 3.32Å; Q83-D114 PolarHBondContact NE2-O 2.77Å; Q83-D114 VanDerWaalsContact NE2-O 3.11Å
84	E	77.1	Confident	91.8	Very high	179 Å²	179	52.4 Å²	52.4	84%	0.836	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-75.3	-16.8	-176.1	-62.4	179.2	174.7	0	0	114.3	S82	S82-E84 PolarHBondContact O-N 2.82Å; S82-E84 VanDerWaalsContact O-N 3.08Å
85	L	84.1	Confident	91.8	Very high	115 Å²	115	48.8 Å²	48.8	60%	0.602	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-93.1	-2.9	-174.6	-92.1	73.5	0	0	0	113.5	P81 S82 Q83	P81-L85 HydrophobicContact CB-CB 3.81Å; P81-L85 HydrophobicContact CB-CD2 4.2Å; S82-L85 PolarHBondContact O-N 3.29Å; S82-L85 VanDerWaalsContact O-N 3.08Å; Q83-L85 VanDerWaalsContact C-N 3.33Å; Q83-L85 PolarHBondContact O-N 2.86Å
86	W	87	Confident	91.8	Very high	26 Å²	26	48.7 Å²	48.7	10%	0.098	24%	0.243	C	C	.	.	S	Bend	trans	-73.5	144.1	179.2	-70.9	107.4	0	0	0	112.6	F59 L80 P81 L90 L93 V112 F113 V116	F59-W86 HydrophobicContact CE1-CH2 4.35Å; F59-W86 AromaticContact CE1-CZ3 3.96Å; F59-W86 HydrophobicContact CE1-CZ3 3.96Å; F59-W86 HydrophobicContact CZ-CH2 4.05Å; F59-W86 HydrophobicContact CZ-CZ3 4.1Å; L80-W86 HydrophobicContact CB-CZ2 4.44Å; L80-W86 HydrophobicContact CD2-CH2 4.29Å; P81-W86 HydrophobicContact CG-CD2 4.24Å; P81-W86 HydrophobicContact CG-CE3 4.47Å; P81-W86 HydrophobicContact CG-CH2 4.09Å; P81-W86 HydrophobicContact CG-CZ2 3.85Å; P81-W86 HydrophobicContact CG-CZ3 4.37Å; W86-L90 HydrophobicContact CE3-CD2 4.17Å; W86-L90 HydrophobicContact CZ3-CD2 4.31Å; W86-L93 HydrophobicContact CH2-CD2 3.55Å; W86-L93 HydrophobicContact CZ3-CD2 3.35Å; W86-V112 VanDerWaalsContact CD1-O 3.32Å; W86-V112 PolarHBondContact NE1-O 3.5Å; W86-F113 HydrophobicContact CH2-CD1 4.2Å; W86-F113 AromaticContact CH2-CE1 3.71Å; W86-F113 HydrophobicContact CH2-CE1 3.71Å; W86-F113 AromaticContact CZ2-CD1 3.76Å; W86-F113 HydrophobicContact CZ2-CD1 3.76Å; W86-F113 AromaticContact CZ2-CE1 3.61Å; W86-F113 HydrophobicContact CZ2-CE1 3.61Å; W86-V116 HydrophobicContact CB-CG2 3.68Å; W86-V116 HydrophobicContact CD2-CG2 3.66Å; W86-V116 HydrophobicContact CE3-CG2 4.36Å; W86-V116 HydrophobicContact CG-CG2 3.32Å
87	L	91.2	Very high	91.9	Very high	15 Å²	15	48.1 Å²	48.1	8%	0.079	24%	0.241	C	C	.	.			trans	-78.3	126.6	179.7	-62.3	162.9	0	0	0	109.9	L63 P64 T67 L70 D89 L90	L63-L87 HydrophobicContact CB-CD1 4.29Å; L63-L87 HydrophobicContact CB-CD2 4.02Å; L63-L87 HydrophobicContact CD1-CD1 4.24Å; P64-L87 WeakPolarHBondContact O-CD2 3.4Å; T67-L87 HydrophobicContact CG2-CD1 3.94Å; L70-L87 HydrophobicContact CD2-CD1 4.19Å; L87-D89 PolarHBondContact O-N 3.3Å; L87-L90 HydrophobicContact CB-CB 4.1Å; L87-L90 HydrophobicContact CD1-CD1 4.29Å; L87-L90 WeakPolarHBondContact O-CB 3.47Å; L87-L90 PolarHBondContact O-N 2.83Å
88	P	90.3	Very high	92	Very high	78 Å²	78	48.4 Å²	48.4	51%	0.506	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-34	-171.5	25.2	-34.8	0	0	0	113.4	T65 L90 N118	T65-P88 WeakPolarHBondContact O-CD 3.34Å; P88-L90 VanDerWaalsContact C-N 3.34Å; P88-N118 PolarHBondContact O-ND2 3.15Å
89	D	93.8	Very high	92.1	Very high	70 Å²	70	45.4 Å²	45.4	37%	0.374	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	8.2	-176.6	-65.5	-26.3	0	0	0	113.2	Q68 L87 V91	Q68-D89 WeakPolarHBondContact CA-O 3.36Å; Q68-D89 HydrophobicContact CG-CB 4.29Å; L87-D89 PolarHBondContact O-N 3.3Å; D89-V91 WeakPolarHBondContact O-CG2 3.29Å; D89-V91 PolarHBondContact O-N 3.33Å
90	L	96	Very high	92.4	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	21%	0.214	C	C	.	.			trans	-66.5	120.2	-174.7	-164.8	67.9	0	0	0	111.5	T67 L70 W86 L87 P88 L93 N118 L119	T67-L90 HydrophobicContact CG2-CD1 4.47Å; L70-L90 HydrophobicContact CB-CD1 3.74Å; W86-L90 HydrophobicContact CE3-CD2 4.17Å; W86-L90 HydrophobicContact CZ3-CD2 4.31Å; L87-L90 HydrophobicContact CB-CB 4.1Å; L87-L90 HydrophobicContact CD1-CD1 4.29Å; L87-L90 WeakPolarHBondContact O-CB 3.47Å; L87-L90 PolarHBondContact O-N 2.83Å; P88-L90 VanDerWaalsContact C-N 3.34Å; L90-L93 HydrophobicContact CD2-CB 4.11Å; L90-L93 HydrophobicContact CD2-CD1 4.39Å; L90-L93 HydrophobicContact CD2-CD2 4.39Å; L90-N118 CarbonylContact O-C 3.57Å; L90-L119 HydrophobicContact CD2-CD1 4.01Å; L90-L119 HydrophobicContact CG-CD1 3.87Å; L90-L119 VanDerWaalsContact O-CA 3.27Å; L90-L119 WeakPolarHBondContact O-CA 3.43Å; L90-L119 PolarHBondContact O-N 3.22Å; L90-L119 VanDerWaalsContact O-N 3.08Å
91	V	96.8	Very high	92.6	Very high	19 Å²	19	44.8 Å²	44.8	12%	0.115	23%	0.234	C	C	.	.			trans	-107.2	-35	179.8	178.8	0	0	0	0	111.6	F42 Q68 D89 R120 V121	F42-V91 HydrophobicContact CD2-CG1 4.47Å; F42-V91 HydrophobicContact CE1-CG1 4.14Å; F42-V91 HydrophobicContact CE2-CG1 3.84Å; F42-V91 HydrophobicContact CZ-CG1 3.63Å; Q68-V91 WeakPolarHBondContact O-CA 3.16Å; Q68-V91 PolarHBondContact O-N 2.78Å; D89-V91 WeakPolarHBondContact O-CG2 3.29Å; D89-V91 PolarHBondContact O-N 3.33Å; V91-R120 HydrophobicContact CG1-CB 3.96Å; V91-R120 HydrophobicContact CG1-CG 4Å; V91-R120 PolarHBondContact O-N 3.3Å; V91-V121 PolarHBondContact O-N 3.34Å
92	H	97.8	Very high	92.7	Very high	51 Å²	51	45.4 Å²	45.4	24%	0.236	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	124.9	-179.7	-179.5	-172.6	0	0	0	111	Q68 V69 L70 V121	Q68-H92 PolarHBondContact O-N 3.35Å; V69-H92 WeakPolarHBondContact CA-O 3.28Å; V69-H92 HydrophobicContact CB-CB 4.48Å; V69-H92 HydrophobicContact CG1-CB 4.1Å; V69-H92 HydrophobicContact CG2-CB 4.13Å; L70-H92 PolarHBondContact N-O 2.83Å; H92-V121 WeakPolarHBondContact CA-O 3.46Å; H92-V121 HydrophobicContact CB-CB 4.32Å
93	L	97.6	Very high	93.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	116.2	174.7	-179.9	60.9	0	0	0	110.7	F59 L70 W86 L90 L95 L119 V121 L122 D123	F59-L93 HydrophobicContact CE1-CD1 4.43Å; F59-L93 HydrophobicContact CZ-CD1 4.47Å; L70-L93 HydrophobicContact CB-CD1 3.98Å; L70-L93 HydrophobicContact CD2-CD1 3.93Å; L70-L93 HydrophobicContact CG-CD1 4.03Å; W86-L93 HydrophobicContact CH2-CD2 3.55Å; W86-L93 HydrophobicContact CZ3-CD2 3.35Å; L90-L93 HydrophobicContact CD2-CB 4.11Å; L90-L93 HydrophobicContact CD2-CD1 4.39Å; L90-L93 HydrophobicContact CD2-CD2 4.39Å; L93-L95 HydrophobicContact CD1-CD1 4.27Å; L93-L95 HydrophobicContact CD1-CG 4.05Å; L93-L95 HydrophobicContact CD2-CD1 3.63Å; L93-L95 HydrophobicContact CD2-CG 4.28Å; L93-L95 HydrophobicContact CG-CD1 3.87Å; L93-L95 HydrophobicContact CG-CG 3.97Å; L93-L119 HydrophobicContact CB-CD1 3.82Å; L93-L119 HydrophobicContact CB-CD2 4.49Å; L93-V121 PolarHBondContact N-O 2.89Å; L93-L122 HydrophobicContact CB-CD1 4.13Å; L93-L122 HydrophobicContact CD2-CD1 3.81Å; L93-L122 HydrophobicContact CG-CD1 4.08Å; L93-D123 PolarHBondContact O-N 3.06Å
94	D	98.1	Very high	93.3	Very high	19 Å²	19	39.9 Å²	39.9	10%	0.102	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	107.5	172.6	-176.4	-4.3	0	0	0	109.9	L70 I71 L72 R73 S96	L70-D94 PolarHBondContact O-N 2.85Å; I71-D94 HydrophobicContact CG2-CB 4.42Å; L72-D94 CarbonylContact C-O 2.97Å; L72-D94 WeakPolarHBondContact CA-O 3.32Å; L72-D94 PolarHBondContact N-O 2.8Å; R73-D94 PolarHBondContact N-O 2.87Å; D94-S96 WeakPolarHBondContact OD1-CB 3.4Å; D94-S96 PolarHBondContact OD1-N 2.95Å; D94-S96 PolarHBondContact OD1-OG 3.32Å
95	L	98.3	Very high	93.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.174	C	C	.	.			trans	-111.7	19.1	174.5	-75.3	163.4	0	0	0	111.4	F59 L72 I77 L80 L93 N98 I100 D123 L124 N127	F59-L95 HydrophobicContact CE2-CD2 3.77Å; F59-L95 HydrophobicContact CZ-CD1 4.19Å; F59-L95 HydrophobicContact CZ-CD2 3.75Å; F59-L95 HydrophobicContact CZ-CG 4.43Å; L72-L95 HydrophobicContact CB-CD2 3.85Å; L72-L95 HydrophobicContact CD1-CD2 3.83Å; I77-L95 HydrophobicContact CD1-CD2 4.23Å; L80-L95 HydrophobicContact CD2-CD1 3.49Å; L80-L95 VanDerWaalsContact CD2-CD1 3.49Å; L93-L95 HydrophobicContact CD1-CD1 4.27Å; L93-L95 HydrophobicContact CD1-CG 4.05Å; L93-L95 HydrophobicContact CD2-CD1 3.63Å; L93-L95 HydrophobicContact CD2-CG 4.28Å; L93-L95 HydrophobicContact CG-CD1 3.87Å; L93-L95 HydrophobicContact CG-CG 3.97Å; L95-N98 PolarHBondContact O-ND2 3.34Å; L95-I100 HydrophobicContact CB-CD1 4.06Å; L95-I100 HydrophobicContact CD1-CD1 4.12Å; L95-I100 HydrophobicContact CD2-CD1 4.28Å; L95-I100 HydrophobicContact CG-CD1 4.42Å; L95-D123 CarbonylContact C-O 3.43Å; L95-D123 WeakPolarHBondContact CA-O 3.16Å; L95-D123 WeakPolarHBondContact CB-O 3.35Å; L95-D123 PolarHBondContact N-O 2.93Å; L95-L124 HydrophobicContact CB-CD2 3.98Å; L95-L124 HydrophobicContact CD1-CD2 3.92Å; L95-N127 PolarHBondContact O-ND2 2.7Å
96	S	98.6	Very high	92.4	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.014	18%	0.178	C	C	.	.			trans	-63.2	155.1	-177.5	65.5	0	0	0	0	112	R73 Q74 D94 N98 D123 S125	R73-S96 VanDerWaalsContact CA-O 3.23Å; R73-S96 WeakPolarHBondContact CA-O 3.5Å; R73-S96 VanDerWaalsContact CD-OG 3.27Å; R73-S96 WeakPolarHBondContact CD-OG 3.45Å; R73-S96 VanDerWaalsContact CG-OG 3.24Å; R73-S96 WeakPolarHBondContact CG-OG 3.27Å; Q74-S96 PolarHBondContact N-O 2.98Å; D94-S96 WeakPolarHBondContact OD1-CB 3.4Å; D94-S96 PolarHBondContact OD1-N 2.95Å; D94-S96 PolarHBondContact OD1-OG 3.32Å; S96-N98 PolarHBondContact O-N 3.16Å; S96-N98 PolarHBondContact O-ND2 3.21Å; S96-D123 PolarHBondContact N-O 2.81Å; S96-S125 CarbonylContact C-O 3.11Å; S96-S125 WeakPolarHBondContact CA-O 3.2Å; S96-S125 VanDerWaalsContact CB-OG 3.29Å; S96-S125 WeakPolarHBondContact CB-OG 3.43Å
97	H	98.6	Very high	91.5	Very high	51 Å²	51	38.8 Å²	38.8	24%	0.236	21%	0.207	C	C	.	.	S	Bend	trans	55.9	49.1	-180	-65	-102.4	0	0	0	113.5	R73 Q74 N75 S125 F126	R73-H97 PolarHBondContact NH2-NE2 2.99Å; Q74-H97 VanDerWaalsContact CA-O 3.31Å; Q74-H97 WeakPolarHBondContact CA-O 3.17Å; Q74-H97 HydrophobicContact CB-CB 4.37Å; Q74-H97 PolarHBondContact N-O 3.37Å; N75-H97 PolarHBondContact N-O 3.43Å; H97-S125 PolarHBondContact N-O 2.85Å; H97-F126 WeakPolarHBondContact CA-O 3.44Å; H97-F126 HydrophobicContact CB-CB 4.35Å; H97-F126 AromaticContact CD2-CD2 3.8Å; H97-F126 AromaticContact CD2-CG 3.94Å; H97-F126 AromaticContact CE1-CD1 3.84Å; H97-F126 AromaticContact CE1-CD2 3.88Å; H97-F126 AromaticContact CE1-CG 3.63Å; H97-F126 AromaticContact ND1-CG 3.97Å; H97-F126 AromaticContact NE2-CD2 3.42Å; H97-F126 WeakPolarHBondContact NE2-CD2 3.33Å; H97-F126 AromaticContact NE2-CE2 3.85Å; H97-F126 AromaticContact NE2-CG 3.64Å
98	N	98.6	Very high	90.4	Very high	6 Å²	6	43.8 Å²	43.8	3%	0.032	23%	0.228	C	C	.	.	S	Bend	trans	-119.1	-166.4	173.7	-86.3	-77.1	0	0	0	110.8	L72 N75 H76 I77 L95 S96 I100 N127	L72-N98 PolarHBondContact O-ND2 3.24Å; N75-N98 WeakPolarHBondContact CA-OD1 3.5Å; N75-N98 WeakPolarHBondContact CB-OD1 3.25Å; N75-N98 PolarHBondContact O-OD1 2.92Å; H76-N98 PolarHBondContact N-OD1 3.43Å; I77-N98 HydrophobicContact CB-CB 4.43Å; I77-N98 WeakPolarHBondContact CB-OD1 3.46Å; I77-N98 PolarHBondContact N-OD1 3.14Å; L95-N98 PolarHBondContact O-ND2 3.34Å; S96-N98 PolarHBondContact O-N 3.16Å; S96-N98 PolarHBondContact O-ND2 3.21Å; N98-I100 HydrophobicContact CB-CD1 4.45Å; N98-I100 HydrophobicContact CB-CG1 4.27Å; N98-N127 VanDerWaalsContact CA-OD1 3.32Å; N98-N127 WeakPolarHBondContact CA-OD1 3.21Å; N98-N127 WeakPolarHBondContact CB-OD1 3.19Å; N98-N127 PolarHBondContact O-OD1 2.64Å
99	R	97.5	Very high	89.4	Confident	95 Å²	95	50.8 Å²	50.8	36%	0.358	24%	0.244	S	C	.	.			trans	-115.7	22.9	-178.8	-61.4	176.5	-178.4	162.6	-0.5	111.9	H76 I77 R78 S101 N127	H76-R99 PolarHBondContact CE1-NH2 2.93Å; H76-R99 PolarHBondContact ND1-NH2 2.48Å; I77-R99 CarbonylContact O-C 3.51Å; I77-R99 VanDerWaalsContact O-C 3.24Å; I77-R99 WeakPolarHBondContact O-CA 3.43Å; I77-R99 PolarHBondContact O-N 3.25Å; R78-R99 HydrophobicContact CG-CB 4.02Å; R99-S101 PolarHBondContact O-N 3.26Å; R99-N127 PolarHBondContact N-OD1 3.39Å
100	I	96.6	Very high	88.7	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	25%	0.246	C	C	.	.			trans	-65.1	123.3	-177.2	-59	169.8	0	0	0	109.1	I77 L80 L95 N98 S102 L103 L124 N127 H128 L129	I77-I100 HydrophobicContact CG2-CG1 4.47Å; I77-I100 PolarHBondContact O-N 3.4Å; L80-I100 HydrophobicContact CD2-CD1 3.98Å; L95-I100 HydrophobicContact CB-CD1 4.06Å; L95-I100 HydrophobicContact CD1-CD1 4.12Å; L95-I100 HydrophobicContact CD2-CD1 4.28Å; L95-I100 HydrophobicContact CG-CD1 4.42Å; N98-I100 HydrophobicContact CB-CD1 4.45Å; N98-I100 HydrophobicContact CB-CG1 4.27Å; I100-S102 WeakPolarHBondContact CG2-O 3.26Å; I100-L103 HydrophobicContact CG2-CD2 4.3Å; I100-L124 HydrophobicContact CD1-CD2 3.89Å; I100-N127 HydrophobicContact CB-CB 4.3Å; I100-N127 VanDerWaalsContact CB-OD1 3.29Å; I100-N127 WeakPolarHBondContact CB-OD1 3.35Å; I100-N127 WeakPolarHBondContact CG1-OD1 3.43Å; I100-N127 PolarHBondContact N-OD1 2.9Å; I100-H128 CarbonylContact O-C 3.33Å; I100-H128 VanDerWaalsContact O-C 3.31Å; I100-H128 VanDerWaalsContact O-CA 3.3Å; I100-H128 WeakPolarHBondContact O-CA 3.41Å; I100-H128 PolarHBondContact O-N 3.27Å; I100-L129 HydrophobicContact CG2-CD2 4.14Å; I100-L129 PolarHBondContact O-N 3.35Å
101	S	94.4	Very high	88.1	Confident	70 Å²	70	55.2 Å²	55.2	49%	0.49	26%	0.26	S	S	.	.			trans	-115.1	-13.8	-175.5	63.8	0	0	0	0	114.6	R99	R99-S101 PolarHBondContact O-N 3.26Å
102	S	91.2	Very high	87.7	Confident	31 Å²	31	54.3 Å²	54.3	22%	0.217	26%	0.255	C	S	.	.			trans	-145.6	145.1	-179.4	-148.7	0	0	0	0	109.4	I100 T104	I100-S102 WeakPolarHBondContact CG2-O 3.26Å; S102-T104 VanDerWaalsContact C-N 3.29Å; S102-T104 VanDerWaalsContact OG-CG2 3.26Å; S102-T104 WeakPolarHBondContact OG-CG2 3.19Å; S102-T104 PolarHBondContact OG-OG1 3.04Å
103	L	92.4	Very high	87.4	Confident	4 Å²	4	51.9 Å²	51.9	2%	0.021	24%	0.243	C	C	.	.	S	Bend	trans	-99.2	34	171.9	-58.4	179.1	0	0	0	111.2	L80 I100 V112 F113 L124 L129 L132 D136 F137	L80-L103 HydrophobicContact CD1-CD2 3.77Å; I100-L103 HydrophobicContact CG2-CD2 4.3Å; L103-V112 WeakPolarHBondContact O-CG2 3.48Å; L103-F113 HydrophobicContact CD2-CE2 4.37Å; L103-L124 HydrophobicContact CD1-CD1 4.43Å; L103-L124 HydrophobicContact CD2-CD1 3.86Å; L103-L124 HydrophobicContact CD2-CD2 4.4Å; L103-L129 HydrophobicContact CD1-CD1 4.33Å; L103-L129 HydrophobicContact CD2-CD1 4.19Å; L103-L129 HydrophobicContact CD2-CD2 3.95Å; L103-L129 HydrophobicContact CG-CD1 4.32Å; L103-L129 HydrophobicContact CG-CD2 3.89Å; L103-L132 HydrophobicContact CD1-CD2 4.11Å; L103-D136 HydrophobicContact CB-CB 4.26Å; L103-D136 HydrophobicContact CD1-CB 4.17Å; L103-F137 HydrophobicContact CD1-CD1 4.48Å; L103-F137 HydrophobicContact CD1-CE1 3.58Å; L103-F137 HydrophobicContact CD1-CE2 4.21Å; L103-F137 HydrophobicContact CD1-CZ 3.41Å; L103-F137 VanDerWaalsContact CD1-CZ 3.41Å
104	T	83.2	Confident	86.9	Confident	6 Å²	6	53.6 Å²	53.6	4%	0.037	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-130.5	149.4	-168.9	78.3	0	0	0	0	107.7	S102 F108 R133	S102-T104 VanDerWaalsContact C-N 3.29Å; S102-T104 VanDerWaalsContact OG-CG2 3.26Å; S102-T104 WeakPolarHBondContact OG-CG2 3.19Å; S102-T104 PolarHBondContact OG-OG1 3.04Å; T104-F108 HydrophobicContact CG2-CD1 4.36Å; T104-F108 VanDerWaalsContact OG1-CD1 3.27Å; T104-F108 WeakPolarHBondContact OG1-CD1 3.43Å; T104-F108 WeakPolarHBondContact OG1-CE1 3.45Å; T104-R133 VanDerWaalsContact CG2-NE 3.32Å
105	S	74.1	Confident	86.1	Confident	19 Å²	19	54 Å²	54	13%	0.133	26%	0.262	C	S	.	.			trans	-59.3	159.3	165.7	62.4	0	0	0	0	110.6	D107 F108 E110	S105-D107 PolarHBondContact O-N 3.48Å; S105-F108 WeakPolarHBondContact O-CA 3.42Å; S105-F108 PolarHBondContact O-N 2.92Å; S105-E110 PolarHBondContact OG-N 2.91Å
106	E	68	Low	85.6	Confident	145 Å²	145	54.3 Å²	54.3	68%	0.678	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-35.3	176.3	-71.9	-165.7	141.5	0	0	111.8	L79 F108	L79-E106 HydrophobicContact CD1-CG 3.62Å; L79-E106 WeakPolarHBondContact CD1-OE1 3.46Å; L79-E106 HydrophobicContact CD2-CG 4.2Å; E106-F108 VanDerWaalsContact C-N 3.28Å; E106-F108 WeakPolarHBondContact O-CD2 3.26Å; E106-F108 VanDerWaalsContact O-CE2 3.3Å; E106-F108 WeakPolarHBondContact O-CE2 3.4Å; E106-F108 PolarHBondContact O-N 3.27Å
107	D	69.1	Low	85.2	Confident	132 Å²	132	60 Å²	60	71%	0.706	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-1.1	178.1	-66.7	-27.9	0	0	0	114	S105 R109	S105-D107 PolarHBondContact O-N 3.48Å; D107-R109 PolarHBondContact O-N 2.66Å
108	F	67	Low	85	Confident	121 Å²	121	61.1 Å²	61.1	53%	0.531	29%	0.293	S	S	.	.	S	Bend	trans	59.2	8.4	-179.5	-60.2	-87.2	0	0	0	116.4	T104 S105 E106	T104-F108 HydrophobicContact CG2-CD1 4.36Å; T104-F108 VanDerWaalsContact OG1-CD1 3.27Å; T104-F108 WeakPolarHBondContact OG1-CD1 3.43Å; T104-F108 WeakPolarHBondContact OG1-CE1 3.45Å; S105-F108 WeakPolarHBondContact O-CA 3.42Å; S105-F108 PolarHBondContact O-N 2.92Å; E106-F108 VanDerWaalsContact C-N 3.28Å; E106-F108 WeakPolarHBondContact O-CD2 3.26Å; E106-F108 VanDerWaalsContact O-CE2 3.3Å; E106-F108 WeakPolarHBondContact O-CE2 3.4Å; E106-F108 PolarHBondContact O-N 3.27Å
109	R	70.6	Confident	84.9	Confident	224 Å²	224	60.8 Å²	60.8	85%	0.845	29%	0.291	S	S	*	.			trans	-90.2	-19.4	-174.8	-73.4	-178.7	178.9	-176.2	0.8	114.6	D107	D107-R109 PolarHBondContact O-N 2.66Å
110	E	78.6	Confident	84.9	Confident	87 Å²	87	60 Å²	60	41%	0.407	29%	0.288	S	S	.	.			trans	-113.3	144.3	-170.7	-65.5	175.5	-171.9	0	0	112.4	S105	S105-E110 PolarHBondContact OG-N 2.91Å
111	Y	83.5	Confident	85	Confident	77 Å²	77	60.6 Å²	60.6	30%	0.302	29%	0.292	S	S	.	.	B	Isolated β-bridge	trans	-88.4	100.6	166.9	-61.6	-74.5	0	0	0	107.4	F113 D114 N135 R138	Y111-F113 PolarHBondContact O-N 2.81Å; Y111-F113 VanDerWaalsContact O-N 3.09Å; Y111-D114 WeakPolarHBondContact O-CB 3.33Å; Y111-D114 PolarHBondContact O-N 2.86Å; Y111-N135 HydrophobicContact CD1-CB 4.34Å; Y111-N135 VanDerWaalsContact CD1-O 3.23Å; Y111-N135 WeakPolarHBondContact CD1-O 3.49Å; Y111-N135 HydrophobicContact CE1-CB 3.76Å; Y111-R138 HydrophobicContact CD1-CB 4.36Å; Y111-R138 HydrophobicContact CG-CB 4.31Å
112	V	87.9	Confident	85.2	Confident	1 Å²	1	57.2 Å²	57.2	1%	0.006	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-30	-169.3	-63.7	0	0	0	0	113.5	L80 W86 L103	L80-V112 HydrophobicContact CB-CB 4.34Å; L80-V112 HydrophobicContact CB-CG1 4.48Å; L80-V112 HydrophobicContact CB-CG2 4.18Å; L80-V112 HydrophobicContact CD1-CG2 3.66Å; W86-V112 VanDerWaalsContact CD1-O 3.32Å; W86-V112 PolarHBondContact NE1-O 3.5Å; L103-V112 WeakPolarHBondContact O-CG2 3.48Å
113	F	91.5	Very high	85.5	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	3.2	179.9	-64.2	-65.6	0	0	0	114.9	L80 W86 L103 Y111 G115 V116 L122 F137 R138 L140	L80-F113 HydrophobicContact CD1-CE1 4.26Å; L80-F113 HydrophobicContact CD1-CE2 3.82Å; L80-F113 HydrophobicContact CD1-CZ 3.49Å; L80-F113 VanDerWaalsContact CD1-CZ 3.49Å; W86-F113 HydrophobicContact CH2-CD1 4.2Å; W86-F113 AromaticContact CH2-CE1 3.71Å; W86-F113 HydrophobicContact CH2-CE1 3.71Å; W86-F113 AromaticContact CZ2-CD1 3.76Å; W86-F113 HydrophobicContact CZ2-CD1 3.76Å; W86-F113 AromaticContact CZ2-CE1 3.61Å; W86-F113 HydrophobicContact CZ2-CE1 3.61Å; L103-F113 HydrophobicContact CD2-CE2 4.37Å; Y111-F113 PolarHBondContact O-N 2.81Å; Y111-F113 VanDerWaalsContact O-N 3.09Å; F113-G115 PolarHBondContact O-N 3.38Å; F113-V116 HydrophobicContact CD1-CG2 4.49Å; F113-V116 WeakPolarHBondContact O-CG2 3.27Å; F113-V116 PolarHBondContact O-N 3.43Å; F113-L122 HydrophobicContact CE1-CD1 4.44Å; F113-L122 HydrophobicContact CE1-CD2 4.05Å; F113-L122 HydrophobicContact CE2-CD2 4.15Å; F113-L122 HydrophobicContact CZ-CD1 4.41Å; F113-L122 HydrophobicContact CZ-CD2 3.74Å; F113-F137 HydrophobicContact CD2-CD1 4.44Å; F113-F137 HydrophobicContact CE2-CD1 4.36Å; F113-R138 CarbonylContact C-O 3.43Å; F113-R138 VanDerWaalsContact C-O 3.26Å; F113-L140 HydrophobicContact CB-CD1 4.11Å; F113-L140 HydrophobicContact CB-CD2 3.88Å; F113-L140 HydrophobicContact CB-CG 3.82Å; F113-L140 HydrophobicContact CD1-CD1 4.34Å; F113-L140 HydrophobicContact CD1-CD2 4.28Å; F113-L140 HydrophobicContact CD2-CD1 4.24Å; F113-L140 HydrophobicContact CG-CD1 3.99Å; F113-L140 HydrophobicContact CG-CD2 4.28Å; F113-L140 HydrophobicContact CG-CG 4.25Å
114	D	86.5	Confident	85.8	Confident	35 Å²	35	57.3 Å²	57.3	19%	0.187	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	129.4	176.2	-157.6	23.6	0	0	0	108.7	Q83 Y111 R138	Q83-D114 VanDerWaalsContact CD-O 3.29Å; Q83-D114 WeakPolarHBondContact CG-O 3.32Å; Q83-D114 PolarHBondContact NE2-O 2.77Å; Q83-D114 VanDerWaalsContact NE2-O 3.11Å; Y111-D114 WeakPolarHBondContact O-CB 3.33Å; Y111-D114 PolarHBondContact O-N 2.86Å; D114-R138 PolarHBondContact N-O 2.85Å
115	G	81.2	Confident	86.6	Confident	29 Å²	29	57.4 Å²	57.4	30%	0.299	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	96	-14.5	-173.2	0	0	0	0	0	116.6	F113 Y117	F113-G115 PolarHBondContact O-N 3.38Å; G115-Y117 VanDerWaalsContact C-N 3.25Å; G115-Y117 VanDerWaalsContact CA-CZ 3.48Å; G115-Y117 WeakPolarHBondContact O-CD2 3.45Å; G115-Y117 WeakPolarHBondContact O-CE2 3.37Å; G115-Y117 PolarHBondContact O-N 2.78Å
116	V	89.2	Confident	87.7	Confident	5 Å²	5	60.8 Å²	60.8	3%	0.03	28%	0.28	C	S	.	.			trans	-86.1	63.5	-178.2	-161	0	0	0	0	111.3	W86 F113 N118 L119 L140	W86-V116 HydrophobicContact CB-CG2 3.68Å; W86-V116 HydrophobicContact CD2-CG2 3.66Å; W86-V116 HydrophobicContact CE3-CG2 4.36Å; W86-V116 HydrophobicContact CG-CG2 3.32Å; F113-V116 HydrophobicContact CD1-CG2 4.49Å; F113-V116 WeakPolarHBondContact O-CG2 3.27Å; F113-V116 PolarHBondContact O-N 3.43Å; V116-N118 PolarHBondContact O-N 3.44Å; V116-L119 HydrophobicContact CG1-CB 3.92Å; V116-L119 HydrophobicContact CG1-CD2 4.4Å; V116-L140 HydrophobicContact CB-CD2 3.9Å; V116-L140 HydrophobicContact CG1-CD2 4.42Å
117	Y	88.9	Confident	89.2	Confident	123 Å²	123	54 Å²	54	48%	0.482	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-26.3	-165.5	-53.9	-57.7	0	0	0	115.1	G115 F141 N142	G115-Y117 VanDerWaalsContact C-N 3.25Å; G115-Y117 VanDerWaalsContact CA-CZ 3.48Å; G115-Y117 WeakPolarHBondContact O-CD2 3.45Å; G115-Y117 WeakPolarHBondContact O-CE2 3.37Å; G115-Y117 PolarHBondContact O-N 2.78Å; Y117-F141 AromaticContact CD1-CD2 3.92Å; Y117-F141 HydrophobicContact CD1-CD2 3.92Å; Y117-F141 HydrophobicContact CD1-CE2 4.11Å; Y117-F141 HydrophobicContact CE1-CD2 4.27Å; Y117-F141 AromaticContact CE1-CE2 3.97Å; Y117-F141 HydrophobicContact CE1-CE2 3.97Å; Y117-N142 WeakPolarHBondContact O-CB 3.46Å; Y117-N142 PolarHBondContact O-ND2 3.1Å
118	N	94.5	Very high	90.6	Very high	73 Å²	73	50.6 Å²	50.6	39%	0.39	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-6.9	-174.6	-72.5	-30.2	0	0	0	113.7	P88 L90 V116 R120	P88-N118 PolarHBondContact O-ND2 3.15Å; L90-N118 CarbonylContact O-C 3.57Å; V116-N118 PolarHBondContact O-N 3.44Å; N118-R120 PolarHBondContact O-N 3.12Å
119	L	97.2	Very high	92	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	20%	0.203	C	C	.	.			trans	-67.7	123.8	-175.3	-162.8	72.1	0	0	0	110.8	L90 L93 V116 L122 L140 N142 L143	L90-L119 HydrophobicContact CD2-CD1 4.01Å; L90-L119 HydrophobicContact CG-CD1 3.87Å; L90-L119 VanDerWaalsContact O-CA 3.27Å; L90-L119 WeakPolarHBondContact O-CA 3.43Å; L90-L119 PolarHBondContact O-N 3.22Å; L90-L119 VanDerWaalsContact O-N 3.08Å; L93-L119 HydrophobicContact CB-CD1 3.82Å; L93-L119 HydrophobicContact CB-CD2 4.49Å; V116-L119 HydrophobicContact CG1-CB 3.92Å; V116-L119 HydrophobicContact CG1-CD2 4.4Å; L119-L122 HydrophobicContact CD2-CB 3.97Å; L119-L122 HydrophobicContact CD2-CD1 4.34Å; L119-L122 HydrophobicContact CD2-CD2 4.41Å; L119-L122 HydrophobicContact CD2-CG 4.48Å; L119-L140 HydrophobicContact CB-CD2 4.12Å; L119-L140 HydrophobicContact CD2-CD2 3.81Å; L119-N142 CarbonylContact O-C 3.58Å; L119-N142 VanDerWaalsContact O-C 3.26Å; L119-L143 HydrophobicContact CB-CD1 4.48Å; L119-L143 HydrophobicContact CD2-CD1 4.09Å; L119-L143 HydrophobicContact CG-CD1 4.04Å; L119-L143 VanDerWaalsContact O-CA 3.29Å; L119-L143 WeakPolarHBondContact O-CA 3.21Å; L119-L143 PolarHBondContact O-N 2.77Å
120	R	97.6	Very high	93.3	Very high	77 Å²	77	42.5 Å²	42.5	29%	0.291	19%	0.194	S	C	.	.			trans	-107.6	-30.6	178.2	-65.8	174.2	69.3	-169.8	-2.7	112	F42 V91 N118 E144 E145	F42-R120 VanDerWaalsContact CD1-CZ 3.42Å; F42-R120 HydrophobicContact CE1-CB 4.15Å; F42-R120 HydrophobicContact CZ-CB 4.14Å; V91-R120 HydrophobicContact CG1-CB 3.96Å; V91-R120 HydrophobicContact CG1-CG 4Å; V91-R120 PolarHBondContact O-N 3.3Å; N118-R120 PolarHBondContact O-N 3.12Å; R120-E144 HydrophobicContact CB-CG 4.41Å; R120-E144 IonicContact CZ-OE1 3.19Å; R120-E144 IonicContact CZ-OE2 2.72Å; R120-E144 VanDerWaalsContact NE-CD 3.28Å; R120-E144 IonicContact NE-OE1 2.71Å; R120-E144 PolarHBondContact NE-OE1 2.88Å; R120-E144 IonicContact NE-OE2 3.65Å; R120-E144 PolarHBondContact NE-OE2 2.84Å; R120-E144 VanDerWaalsContact NH2-CD 3.34Å; R120-E144 IonicContact NH2-OE1 2.75Å; R120-E144 PolarHBondContact NH2-OE1 2.77Å; R120-E144 IonicContact NH2-OE2 2.73Å; R120-E144 PolarHBondContact NH2-OE2 2.91Å; R120-E144 VanDerWaalsContact NH2-OE2 3.16Å; R120-E144 WeakPolarHBondContact O-CA 3.48Å; R120-E144 PolarHBondContact O-N 3.02Å; R120-E145 PolarHBondContact O-N 2.85Å
121	V	98.4	Very high	94.1	Very high	13 Å²	13	45.5 Å²	45.5	8%	0.079	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	126.1	179.7	-178.5	0	0	0	0	110.6	F42 V91 H92 L93 E145	F42-V121 HydrophobicContact CZ-CG2 3.95Å; V91-V121 PolarHBondContact O-N 3.34Å; H92-V121 WeakPolarHBondContact CA-O 3.46Å; H92-V121 HydrophobicContact CB-CB 4.32Å; L93-V121 PolarHBondContact N-O 2.89Å; V121-E145 HydrophobicContact CG1-CB 4.44Å; V121-E145 HydrophobicContact CG2-CB 4.33Å
122	L	98.2	Very high	94.6	Very high	0 Å²	0	42 Å²	42	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	113.2	174.9	177.1	56.4	0	0	0	110.1	L93 F113 L119 L124 F137 L140 L143 E145 L146 S147	L93-L122 HydrophobicContact CB-CD1 4.13Å; L93-L122 HydrophobicContact CD2-CD1 3.81Å; L93-L122 HydrophobicContact CG-CD1 4.08Å; F113-L122 HydrophobicContact CE1-CD1 4.44Å; F113-L122 HydrophobicContact CE1-CD2 4.05Å; F113-L122 HydrophobicContact CE2-CD2 4.15Å; F113-L122 HydrophobicContact CZ-CD1 4.41Å; F113-L122 HydrophobicContact CZ-CD2 3.74Å; L119-L122 HydrophobicContact CD2-CB 3.97Å; L119-L122 HydrophobicContact CD2-CD1 4.34Å; L119-L122 HydrophobicContact CD2-CD2 4.41Å; L119-L122 HydrophobicContact CD2-CG 4.48Å; L122-L124 HydrophobicContact CD1-CD1 4.29Å; L122-L124 HydrophobicContact CD1-CG 4.03Å; L122-L124 HydrophobicContact CD2-CD1 3.87Å; L122-L124 HydrophobicContact CD2-CG 4.48Å; L122-L124 HydrophobicContact CG-CD1 3.99Å; L122-L124 HydrophobicContact CG-CG 4.09Å; L122-F137 HydrophobicContact CD2-CD1 4.3Å; L122-F137 HydrophobicContact CD2-CE1 4.32Å; L122-L140 HydrophobicContact CD2-CD1 3.81Å; L122-L143 HydrophobicContact CB-CD1 3.8Å; L122-L143 HydrophobicContact CB-CD2 4.42Å; L122-E145 PolarHBondContact N-O 3.17Å; L122-L146 HydrophobicContact CB-CD1 4.12Å; L122-L146 HydrophobicContact CD2-CD1 3.92Å; L122-L146 HydrophobicContact CG-CD1 3.98Å; L122-S147 PolarHBondContact O-N 2.83Å
123	D	98.6	Very high	94.8	Very high	36 Å²	36	44.8 Å²	44.8	19%	0.193	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	111.8	173	-160.6	-18	0	0	0	111.4	L93 L95 S96 S125 S147	L93-D123 PolarHBondContact O-N 3.06Å; L95-D123 CarbonylContact C-O 3.43Å; L95-D123 WeakPolarHBondContact CA-O 3.16Å; L95-D123 WeakPolarHBondContact CB-O 3.35Å; L95-D123 PolarHBondContact N-O 2.93Å; S96-D123 PolarHBondContact N-O 2.81Å; D123-S125 WeakPolarHBondContact OD1-CB 3.43Å; D123-S125 PolarHBondContact OD1-N 2.82Å; D123-S125 PolarHBondContact OD1-OG 2.85Å; D123-S125 PolarHBondContact OD2-OG 3.38Å; D123-S147 WeakPolarHBondContact OD1-CB 3.28Å; D123-S147 PolarHBondContact OD1-OG 2.73Å
124	L	98.6	Very high	94.8	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.216	C	C	.	.			trans	-114.8	19.3	174.7	-73.3	164.3	0	0	0	111	L95 I100 L103 L122 N127 F137 S147 L148 N151	L95-L124 HydrophobicContact CB-CD2 3.98Å; L95-L124 HydrophobicContact CD1-CD2 3.92Å; I100-L124 HydrophobicContact CD1-CD2 3.89Å; L103-L124 HydrophobicContact CD1-CD1 4.43Å; L103-L124 HydrophobicContact CD2-CD1 3.86Å; L103-L124 HydrophobicContact CD2-CD2 4.4Å; L122-L124 HydrophobicContact CD1-CD1 4.29Å; L122-L124 HydrophobicContact CD1-CG 4.03Å; L122-L124 HydrophobicContact CD2-CD1 3.87Å; L122-L124 HydrophobicContact CD2-CG 4.48Å; L122-L124 HydrophobicContact CG-CD1 3.99Å; L122-L124 HydrophobicContact CG-CG 4.09Å; L124-N127 WeakPolarHBondContact O-CB 3.37Å; L124-N127 PolarHBondContact O-ND2 3.48Å; L124-N127 VanDerWaalsContact O-ND2 3.07Å; L124-F137 HydrophobicContact CD1-CE1 4.09Å; L124-S147 CarbonylContact C-O 3.49Å; L124-S147 WeakPolarHBondContact CA-O 3.26Å; L124-S147 PolarHBondContact N-O 3.43Å; L124-L148 HydrophobicContact CB-CD2 3.89Å; L124-L148 HydrophobicContact CD1-CD2 3.99Å; L124-N151 PolarHBondContact O-ND2 3.44Å
125	S	98.7	Very high	94.9	Very high	8 Å²	8	47.8 Å²	47.8	6%	0.056	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	159.2	-178.6	62.4	0	0	0	0	113.2	S96 H97 D123 N127 A149	S96-S125 CarbonylContact C-O 3.11Å; S96-S125 WeakPolarHBondContact CA-O 3.2Å; S96-S125 VanDerWaalsContact CB-OG 3.29Å; S96-S125 WeakPolarHBondContact CB-OG 3.43Å; H97-S125 PolarHBondContact N-O 2.85Å; D123-S125 WeakPolarHBondContact OD1-CB 3.43Å; D123-S125 PolarHBondContact OD1-N 2.82Å; D123-S125 PolarHBondContact OD1-OG 2.85Å; D123-S125 PolarHBondContact OD2-OG 3.38Å; S125-N127 PolarHBondContact O-N 2.79Å; S125-N127 PolarHBondContact O-ND2 3.1Å; S125-N127 VanDerWaalsContact O-ND2 3.11Å; S125-A149 CarbonylContact C-O 3.25Å; S125-A149 WeakPolarHBondContact CA-O 3.36Å; S125-A149 VanDerWaalsContact CB-O 3.3Å; S125-A149 WeakPolarHBondContact CB-O 3.39Å
126	F	98.7	Very high	95.4	Very high	90 Å²	90	46.6 Å²	46.6	40%	0.395	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	38.1	179.6	-61.9	-88.4	0	0	0	114	H97 A149 D150	H97-F126 WeakPolarHBondContact CA-O 3.44Å; H97-F126 HydrophobicContact CB-CB 4.35Å; H97-F126 AromaticContact CD2-CD2 3.8Å; H97-F126 AromaticContact CD2-CG 3.94Å; H97-F126 AromaticContact CE1-CD1 3.84Å; H97-F126 AromaticContact CE1-CD2 3.88Å; H97-F126 AromaticContact CE1-CG 3.63Å; H97-F126 AromaticContact ND1-CG 3.97Å; H97-F126 AromaticContact NE2-CD2 3.42Å; H97-F126 WeakPolarHBondContact NE2-CD2 3.33Å; H97-F126 AromaticContact NE2-CE2 3.85Å; H97-F126 AromaticContact NE2-CG 3.64Å; F126-A149 PolarHBondContact N-O 3.03Å; F126-D150 WeakPolarHBondContact CA-O 3.24Å; F126-D150 HydrophobicContact CD1-CB 3.68Å; F126-D150 HydrophobicContact CD2-CB 4.39Å; F126-D150 HydrophobicContact CE1-CB 3.57Å; F126-D150 HydrophobicContact CE2-CB 4.29Å; F126-D150 HydrophobicContact CG-CB 4.09Å; F126-D150 HydrophobicContact CZ-CB 3.89Å
127	N	98.6	Very high	95.6	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.021	20%	0.204	C	C	.	.	S	Bend	trans	-106.6	-161.7	174.8	-87.1	-77.6	0	0	0	111.2	L95 N98 R99 I100 L124 S125 N151	L95-N127 PolarHBondContact O-ND2 2.7Å; N98-N127 VanDerWaalsContact CA-OD1 3.32Å; N98-N127 WeakPolarHBondContact CA-OD1 3.21Å; N98-N127 WeakPolarHBondContact CB-OD1 3.19Å; N98-N127 PolarHBondContact O-OD1 2.64Å; R99-N127 PolarHBondContact N-OD1 3.39Å; I100-N127 HydrophobicContact CB-CB 4.3Å; I100-N127 VanDerWaalsContact CB-OD1 3.29Å; I100-N127 WeakPolarHBondContact CB-OD1 3.35Å; I100-N127 WeakPolarHBondContact CG1-OD1 3.43Å; I100-N127 PolarHBondContact N-OD1 2.9Å; L124-N127 WeakPolarHBondContact O-CB 3.37Å; L124-N127 PolarHBondContact O-ND2 3.48Å; L124-N127 VanDerWaalsContact O-ND2 3.07Å; S125-N127 PolarHBondContact O-N 2.79Å; S125-N127 PolarHBondContact O-ND2 3.1Å; S125-N127 VanDerWaalsContact O-ND2 3.11Å; N127-N151 VanDerWaalsContact CA-OD1 3.29Å; N127-N151 WeakPolarHBondContact CA-OD1 3.25Å; N127-N151 WeakPolarHBondContact CB-OD1 3.46Å; N127-N151 PolarHBondContact N-OD1 3.04Å; N127-N151 PolarHBondContact O-OD1 2.68Å
128	H	97.6	Very high	95.7	Very high	60 Å²	60	46 Å²	46	28%	0.278	20%	0.202	S	C	.	.			trans	-119.2	20.5	-175.6	-68.6	-6.4	0	0	0	113.5	I100 R130 N151 R152	I100-H128 CarbonylContact O-C 3.33Å; I100-H128 VanDerWaalsContact O-C 3.31Å; I100-H128 VanDerWaalsContact O-CA 3.3Å; I100-H128 WeakPolarHBondContact O-CA 3.41Å; I100-H128 PolarHBondContact O-N 3.27Å; H128-R130 PolarHBondContact O-N 2.91Å; H128-N151 PolarHBondContact N-OD1 2.93Å; H128-R152 PolarHBondContact CE1-NH2 2.79Å; H128-R152 VanDerWaalsContact CE1-NH2 3.34Å
129	L	97.9	Very high	95.5	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	18%	0.183	C	C	.	.			trans	-60.8	126.9	178.8	-62	174.6	0	0	0	110.3	I100 L103 L148 N151 R152 I153	I100-L129 HydrophobicContact CG2-CD2 4.14Å; I100-L129 PolarHBondContact O-N 3.35Å; L103-L129 HydrophobicContact CD1-CD1 4.33Å; L103-L129 HydrophobicContact CD2-CD1 4.19Å; L103-L129 HydrophobicContact CD2-CD2 3.95Å; L103-L129 HydrophobicContact CG-CD1 4.32Å; L103-L129 HydrophobicContact CG-CD2 3.89Å; L129-L148 HydrophobicContact CD1-CD2 3.65Å; L129-N151 HydrophobicContact CB-CB 4.28Å; L129-N151 WeakPolarHBondContact CB-OD1 3.31Å; L129-N151 PolarHBondContact N-OD1 2.94Å; L129-R152 CarbonylContact O-C 3.2Å; L129-R152 WeakPolarHBondContact O-CA 3.24Å; L129-R152 WeakPolarHBondContact O-CB 3.36Å; L129-R152 PolarHBondContact O-N 3.47Å; L129-I153 HydrophobicContact CB-CD1 4.34Å; L129-I153 HydrophobicContact CB-CG1 4Å; L129-I153 WeakPolarHBondContact O-CG1 3.32Å; L129-I153 PolarHBondContact O-N 2.75Å; L129-I153 VanDerWaalsContact O-N 3.1Å
130	R	97	Very high	95.4	Very high	174 Å²	174	42.5 Å²	42.5	66%	0.657	18%	0.183	S	C	*	.			trans	-103.5	-26.2	-179.6	-63.7	-172.9	-176.4	-162	2.2	113.9	H128 R152 I153 G154	H128-R130 PolarHBondContact O-N 2.91Å; R130-R152 WeakPolarHBondContact CA-O 3.34Å; R130-R152 HydrophobicContact CG-CB 4.33Å; R130-I153 WeakPolarHBondContact O-CA 3.27Å; R130-G154 PolarHBondContact O-N 3.35Å
131	R	95.2	Very high	95.2	Very high	149 Å²	149	43 Å²	43	56%	0.562	19%	0.188	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-150.4	154.8	-178.7	63	178.9	-178.6	164.3	-0.4	109.9	S155	R131-S155 CarbonylContact C-O 2.99Å; R131-S155 VanDerWaalsContact CA-O 3.24Å; R131-S155 WeakPolarHBondContact CA-O 2.96Å; R131-S155 WeakPolarHBondContact CB-OG 3.04Å
132	L	95.4	Very high	95.1	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.021	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	131.5	166.7	-55.7	176.7	0	0	0	108.7	L103 F137 L148 I153 S155 I156 A157 A160 F161	L103-L132 HydrophobicContact CD1-CD2 4.11Å; L132-F137 HydrophobicContact CD1-CE2 4.34Å; L132-F137 HydrophobicContact CD2-CE2 4.32Å; L132-F137 HydrophobicContact CD2-CZ 4.28Å; L132-L148 HydrophobicContact CD1-CD1 3.82Å; L132-L148 HydrophobicContact CD2-CD1 4.5Å; L132-I153 HydrophobicContact CD1-CD1 4.21Å; L132-I153 HydrophobicContact CD2-CD1 4.12Å; L132-I153 HydrophobicContact CG-CD1 4.13Å; L132-I153 HydrophobicContact CG-CG2 4.3Å; L132-S155 PolarHBondContact N-O 2.93Å; L132-I156 HydrophobicContact CB-CG1 4.44Å; L132-I156 HydrophobicContact CB-CG2 4.28Å; L132-I156 HydrophobicContact CD1-CD1 4.16Å; L132-I156 HydrophobicContact CD1-CG1 3.99Å; L132-I156 HydrophobicContact CD1-CG2 4.32Å; L132-I156 HydrophobicContact CG-CG1 4.36Å; L132-A157 WeakPolarHBondContact O-CB 3.29Å; L132-A157 PolarHBondContact O-N 3.01Å; L132-A160 HydrophobicContact CB-CB 4.19Å; L132-F161 HydrophobicContact CD1-CE1 3.82Å; L132-F161 HydrophobicContact CD1-CZ 3.57Å
133	R	92.1	Very high	95.1	Very high	60 Å²	60	44.6 Å²	44.6	23%	0.226	20%	0.196	C	C	.	.			trans	-93.7	166	175.6	-45.7	179.2	-59.1	163.6	10.5	109.9	T104 N135 D136 A160	T104-R133 VanDerWaalsContact CG2-NE 3.32Å; R133-N135 PolarHBondContact O-N 2.96Å; R133-D136 WeakPolarHBondContact CB-OD1 3.39Å; R133-D136 IonicContact CZ-OD1 3.4Å; R133-D136 PolarHBondContact N-OD2 3.38Å; R133-D136 IonicContact NE-OD1 3.83Å; R133-D136 PolarHBondContact NE-OD1 3.26Å; R133-D136 IonicContact NH2-OD1 3.38Å; R133-D136 PolarHBondContact NH2-OD1 2.84Å; R133-D136 PolarHBondContact O-N 2.87Å; R133-A160 WeakPolarHBondContact O-CA 3.28Å; R133-A160 WeakPolarHBondContact O-CB 3.18Å
134	S	91	Very high	95	Very high	51 Å²	51	44.1 Å²	44.1	36%	0.357	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	134.9	173.3	-55.3	0	0	0	0	109.9	D136 D158	S134-D136 VanDerWaalsContact C-N 3.26Å; S134-D136 PolarHBondContact O-N 3.34Å; S134-D158 WeakPolarHBondContact CB-O 3.29Å; S134-D158 PolarHBondContact OG-O 2.69Å
135	N	88	Confident	95	Very high	47 Å²	47	45.3 Å²	45.3	25%	0.251	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	19	176.6	-47.5	-54.2	0	0	0	116	Y111 R133 F137 R138 N159	Y111-N135 HydrophobicContact CD1-CB 4.34Å; Y111-N135 VanDerWaalsContact CD1-O 3.23Å; Y111-N135 WeakPolarHBondContact CD1-O 3.49Å; Y111-N135 HydrophobicContact CE1-CB 3.76Å; R133-N135 PolarHBondContact O-N 2.96Å; N135-F137 PolarHBondContact O-N 3.24Å; N135-F137 VanDerWaalsContact O-N 3.08Å; N135-R138 HydrophobicContact CB-CB 4.21Å; N135-R138 VanDerWaalsContact O-CB 3.26Å; N135-R138 WeakPolarHBondContact O-CB 3.41Å; N135-R138 PolarHBondContact O-N 2.81Å; N135-N159 PolarHBondContact N-O 3.2Å
136	D	91.5	Very high	95	Very high	3 Å²	3	45 Å²	45	2%	0.016	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-24	176.3	-84.5	-14.6	0	0	0	112.5	L103 R133 S134	L103-D136 HydrophobicContact CB-CB 4.26Å; L103-D136 HydrophobicContact CD1-CB 4.17Å; R133-D136 WeakPolarHBondContact CB-OD1 3.39Å; R133-D136 IonicContact CZ-OD1 3.4Å; R133-D136 PolarHBondContact N-OD2 3.38Å; R133-D136 IonicContact NE-OD1 3.83Å; R133-D136 PolarHBondContact NE-OD1 3.26Å; R133-D136 IonicContact NH2-OD1 3.38Å; R133-D136 PolarHBondContact NH2-OD1 2.84Å; R133-D136 PolarHBondContact O-N 2.87Å; S134-D136 VanDerWaalsContact C-N 3.26Å; S134-D136 PolarHBondContact O-N 3.34Å
137	F	94	Very high	95	Very high	0 Å²	0	41 Å²	41	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	21.4	178	-56	-76.8	0	0	0	113.9	L103 F113 L122 L124 L132 N135 G139 L140 L146 L148 F161 L164	L103-F137 HydrophobicContact CD1-CD1 4.48Å; L103-F137 HydrophobicContact CD1-CE1 3.58Å; L103-F137 HydrophobicContact CD1-CE2 4.21Å; L103-F137 HydrophobicContact CD1-CZ 3.41Å; L103-F137 VanDerWaalsContact CD1-CZ 3.41Å; F113-F137 HydrophobicContact CD2-CD1 4.44Å; F113-F137 HydrophobicContact CE2-CD1 4.36Å; L122-F137 HydrophobicContact CD2-CD1 4.3Å; L122-F137 HydrophobicContact CD2-CE1 4.32Å; L124-F137 HydrophobicContact CD1-CE1 4.09Å; L132-F137 HydrophobicContact CD1-CE2 4.34Å; L132-F137 HydrophobicContact CD2-CE2 4.32Å; L132-F137 HydrophobicContact CD2-CZ 4.28Å; N135-F137 PolarHBondContact O-N 3.24Å; N135-F137 VanDerWaalsContact O-N 3.08Å; F137-G139 PolarHBondContact O-N 3.25Å; F137-L140 HydrophobicContact CB-CD1 4.17Å; F137-L140 HydrophobicContact CD1-CD1 4.12Å; F137-L140 PolarHBondContact O-N 2.77Å; F137-L146 HydrophobicContact CD1-CD1 4.33Å; F137-L146 HydrophobicContact CD1-CD2 4.05Å; F137-L146 HydrophobicContact CD2-CD2 4.14Å; F137-L146 HydrophobicContact CE1-CD1 3.83Å; F137-L146 HydrophobicContact CE1-CD2 3.86Å; F137-L146 HydrophobicContact CE1-CG 4.49Å; F137-L146 HydrophobicContact CE2-CD2 3.96Å; F137-L146 HydrophobicContact CG-CD2 4.18Å; F137-L146 HydrophobicContact CZ-CD1 4.32Å; F137-L146 HydrophobicContact CZ-CD2 3.83Å; F137-L148 HydrophobicContact CE2-CD1 4.27Å; F137-L148 HydrophobicContact CZ-CD1 3.84Å; F137-L148 HydrophobicContact CZ-CD2 4.02Å; F137-L148 HydrophobicContact CZ-CG 4.43Å; F137-F161 AromaticContact CD2-CD1 3.9Å; F137-F161 HydrophobicContact CD2-CD1 3.9Å; F137-F161 HydrophobicContact CD2-CE1 4.23Å; F137-F161 AromaticContact CE2-CD1 3.92Å; F137-F161 HydrophobicContact CE2-CD1 3.92Å; F137-F161 AromaticContact CE2-CE1 3.76Å; F137-F161 HydrophobicContact CE2-CE1 3.76Å; F137-L164 HydrophobicContact CB-CD1 4.16Å; F137-L164 HydrophobicContact CB-CD2 3.96Å; F137-L164 HydrophobicContact CB-CG 4.35Å
138	R	91.4	Very high	95	Very high	115 Å²	115	40.8 Å²	40.8	43%	0.434	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	138.8	176.6	179.3	177.9	174.9	166.8	1.4	110.8	Y111 F113 D114 N135	Y111-R138 HydrophobicContact CD1-CB 4.36Å; Y111-R138 HydrophobicContact CG-CB 4.31Å; F113-R138 CarbonylContact C-O 3.43Å; F113-R138 VanDerWaalsContact C-O 3.26Å; D114-R138 PolarHBondContact N-O 2.85Å; N135-R138 HydrophobicContact CB-CB 4.21Å; N135-R138 VanDerWaalsContact O-CB 3.26Å; N135-R138 WeakPolarHBondContact O-CB 3.41Å; N135-R138 PolarHBondContact O-N 2.81Å
139	G	90.2	Very high	95.1	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.01	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.1	-22.7	179.8	0	0	0	0	0	114.2	F137 F141	F137-G139 PolarHBondContact O-N 3.25Å; G139-F141 WeakPolarHBondContact O-CD2 3.41Å; G139-F141 PolarHBondContact O-N 3.36Å
140	L	94.8	Very high	95.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	18%	0.179	C	C	.	.			trans	-81.2	53.1	-177.1	-59	-176.1	0	0	0	112.9	F113 V116 L119 L122 F137 N142 L143 L164	F113-L140 HydrophobicContact CB-CD1 4.11Å; F113-L140 HydrophobicContact CB-CD2 3.88Å; F113-L140 HydrophobicContact CB-CG 3.82Å; F113-L140 HydrophobicContact CD1-CD1 4.34Å; F113-L140 HydrophobicContact CD1-CD2 4.28Å; F113-L140 HydrophobicContact CD2-CD1 4.24Å; F113-L140 HydrophobicContact CG-CD1 3.99Å; F113-L140 HydrophobicContact CG-CD2 4.28Å; F113-L140 HydrophobicContact CG-CG 4.25Å; V116-L140 HydrophobicContact CB-CD2 3.9Å; V116-L140 HydrophobicContact CG1-CD2 4.42Å; L119-L140 HydrophobicContact CB-CD2 4.12Å; L119-L140 HydrophobicContact CD2-CD2 3.81Å; L122-L140 HydrophobicContact CD2-CD1 3.81Å; F137-L140 HydrophobicContact CB-CD1 4.17Å; F137-L140 HydrophobicContact CD1-CD1 4.12Å; F137-L140 PolarHBondContact O-N 2.77Å; L140-N142 VanDerWaalsContact C-N 3.27Å; L140-N142 PolarHBondContact O-N 3.26Å; L140-L143 HydrophobicContact CB-CB 4.01Å; L140-L143 HydrophobicContact CB-CD2 4.32Å; L140-L143 HydrophobicContact CD1-CD2 3.96Å; L140-L143 WeakPolarHBondContact O-CB 3.49Å; L140-L143 PolarHBondContact O-N 2.93Å; L140-L164 HydrophobicContact CB-CD2 3.66Å; L140-L164 WeakPolarHBondContact O-CD2 3.39Å
141	F	93.4	Very high	95.2	Very high	87 Å²	87	32.4 Å²	32.4	38%	0.382	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-25	-172.6	-56	-71.3	0	0	0	114.4	Y117 G139 G163	Y117-F141 AromaticContact CD1-CD2 3.92Å; Y117-F141 HydrophobicContact CD1-CD2 3.92Å; Y117-F141 HydrophobicContact CD1-CE2 4.11Å; Y117-F141 HydrophobicContact CE1-CD2 4.27Å; Y117-F141 AromaticContact CE1-CE2 3.97Å; Y117-F141 HydrophobicContact CE1-CE2 3.97Å; G139-F141 WeakPolarHBondContact O-CD2 3.41Å; G139-F141 PolarHBondContact O-N 3.36Å; F141-G163 WeakPolarHBondContact CD1-O 3.29Å
142	N	96.1	Very high	95.3	Very high	47 Å²	47	29.5 Å²	29.5	25%	0.251	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	5.7	178.4	-72.2	-49.6	0	0	0	113.9	Y117 L119 L140 E144 K166	Y117-N142 WeakPolarHBondContact O-CB 3.46Å; Y117-N142 PolarHBondContact O-ND2 3.1Å; L119-N142 CarbonylContact O-C 3.58Å; L119-N142 VanDerWaalsContact O-C 3.26Å; L140-N142 VanDerWaalsContact C-N 3.27Å; L140-N142 PolarHBondContact O-N 3.26Å; N142-E144 PolarHBondContact O-N 3.46Å; N142-K166 VanDerWaalsContact OD1-CE 3.27Å; N142-K166 WeakPolarHBondContact OD1-CE 3.47Å; N142-K166 PolarHBondContact OD1-NZ 2.92Å
143	L	97.7	Very high	95.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.138	C	C	.	.			trans	-66.3	125.6	-177.4	-162.2	74.2	0	0	0	110.7	L119 L122 L140 L146 L164 K166 L167	L119-L143 HydrophobicContact CB-CD1 4.48Å; L119-L143 HydrophobicContact CD2-CD1 4.09Å; L119-L143 HydrophobicContact CG-CD1 4.04Å; L119-L143 VanDerWaalsContact O-CA 3.29Å; L119-L143 WeakPolarHBondContact O-CA 3.21Å; L119-L143 PolarHBondContact O-N 2.77Å; L122-L143 HydrophobicContact CB-CD1 3.8Å; L122-L143 HydrophobicContact CB-CD2 4.42Å; L140-L143 HydrophobicContact CB-CB 4.01Å; L140-L143 HydrophobicContact CB-CD2 4.32Å; L140-L143 HydrophobicContact CD1-CD2 3.96Å; L140-L143 WeakPolarHBondContact O-CB 3.49Å; L140-L143 PolarHBondContact O-N 2.93Å; L143-L146 HydrophobicContact CD2-CB 3.91Å; L143-L146 HydrophobicContact CD2-CD1 4.37Å; L143-L146 HydrophobicContact CD2-CD2 4.48Å; L143-L146 HydrophobicContact CD2-CG 4.48Å; L143-L164 HydrophobicContact CB-CD2 4.25Å; L143-L164 HydrophobicContact CD2-CD1 4.39Å; L143-L164 HydrophobicContact CD2-CD2 4.08Å; L143-K166 CarbonylContact O-C 3.1Å; L143-L167 HydrophobicContact CB-CD1 4.49Å; L143-L167 HydrophobicContact CD2-CD1 4.07Å; L143-L167 HydrophobicContact CG-CD1 4.14Å; L143-L167 WeakPolarHBondContact O-CA 3.2Å; L143-L167 PolarHBondContact O-N 3.2Å
144	E	98.1	Very high	95.7	Very high	26 Å²	26	28.1 Å²	28.1	12%	0.121	14%	0.144	C	C	.	.			trans	-102.6	-35.3	179.4	-65.1	172.7	-177	0	0	111.5	R41 R120 N142 E168 A169	R41-E144 IonicContact NE-OE2 3.16Å; R41-E144 IonicContact NH2-OE2 3.88Å; R41-E144 PolarHBondContact NH2-OE2 3.37Å; R120-E144 HydrophobicContact CB-CG 4.41Å; R120-E144 IonicContact CZ-OE1 3.19Å; R120-E144 IonicContact CZ-OE2 2.72Å; R120-E144 VanDerWaalsContact NE-CD 3.28Å; R120-E144 IonicContact NE-OE1 2.71Å; R120-E144 PolarHBondContact NE-OE1 2.88Å; R120-E144 IonicContact NE-OE2 3.65Å; R120-E144 PolarHBondContact NE-OE2 2.84Å; R120-E144 VanDerWaalsContact NH2-CD 3.34Å; R120-E144 IonicContact NH2-OE1 2.75Å; R120-E144 PolarHBondContact NH2-OE1 2.77Å; R120-E144 IonicContact NH2-OE2 2.73Å; R120-E144 PolarHBondContact NH2-OE2 2.91Å; R120-E144 VanDerWaalsContact NH2-OE2 3.16Å; R120-E144 WeakPolarHBondContact O-CA 3.48Å; R120-E144 PolarHBondContact O-N 3.02Å; N142-E144 PolarHBondContact O-N 3.46Å; E144-E168 PolarHBondContact O-N 2.96Å; E144-A169 PolarHBondContact O-N 3.5Å
145	E	98.5	Very high	95.8	Very high	25 Å²	25	28.7 Å²	28.7	12%	0.117	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	128.3	179.1	-177.3	161.9	177.6	0	0	112.3	R41 R120 V121 L122 A169 R171	R41-E145 IonicContact CZ-OE2 3.61Å; R41-E145 IonicContact NH1-OE2 3.12Å; R41-E145 PolarHBondContact NH1-OE2 2.91Å; R41-E145 IonicContact NH2-OE2 2.74Å; R120-E145 PolarHBondContact O-N 2.85Å; V121-E145 HydrophobicContact CG1-CB 4.44Å; V121-E145 HydrophobicContact CG2-CB 4.33Å; L122-E145 PolarHBondContact N-O 3.17Å; E145-A169 WeakPolarHBondContact CA-O 3.4Å; E145-A169 HydrophobicContact CB-CB 4.36Å; E145-A169 HydrophobicContact CG-CB 4.04Å; E145-R171 IonicContact OE1-CZ 3.74Å; E145-R171 IonicContact OE1-NE 3.39Å; E145-R171 PolarHBondContact OE1-NE 2.84Å; E145-R171 IonicContact OE1-NH2 3.66Å; E145-R171 PolarHBondContact OE1-NH2 2.82Å
146	L	98.6	Very high	96.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	116	174.3	178.1	56.1	0	0	0	109.8	L122 F137 L143 L148 F161 L164 L167 A169 L170 R171	L122-L146 HydrophobicContact CB-CD1 4.12Å; L122-L146 HydrophobicContact CD2-CD1 3.92Å; L122-L146 HydrophobicContact CG-CD1 3.98Å; F137-L146 HydrophobicContact CD1-CD1 4.33Å; F137-L146 HydrophobicContact CD1-CD2 4.05Å; F137-L146 HydrophobicContact CD2-CD2 4.14Å; F137-L146 HydrophobicContact CE1-CD1 3.83Å; F137-L146 HydrophobicContact CE1-CD2 3.86Å; F137-L146 HydrophobicContact CE1-CG 4.49Å; F137-L146 HydrophobicContact CE2-CD2 3.96Å; F137-L146 HydrophobicContact CG-CD2 4.18Å; F137-L146 HydrophobicContact CZ-CD1 4.32Å; F137-L146 HydrophobicContact CZ-CD2 3.83Å; L143-L146 HydrophobicContact CD2-CB 3.91Å; L143-L146 HydrophobicContact CD2-CD1 4.37Å; L143-L146 HydrophobicContact CD2-CD2 4.48Å; L143-L146 HydrophobicContact CD2-CG 4.48Å; L146-L148 HydrophobicContact CD1-CG 4.2Å; L146-L148 HydrophobicContact CD2-CD1 4.03Å; L146-L148 HydrophobicContact CG-CD1 4.12Å; L146-L148 HydrophobicContact CG-CG 4.16Å; L146-F161 HydrophobicContact CD2-CD1 4.03Å; L146-F161 HydrophobicContact CD2-CE1 4.02Å; L146-L164 HydrophobicContact CD2-CD1 4.07Å; L146-L167 HydrophobicContact CB-CD1 3.84Å; L146-A169 PolarHBondContact N-O 3.15Å; L146-L170 HydrophobicContact CB-CD1 4.08Å; L146-L170 HydrophobicContact CD2-CD1 3.94Å; L146-L170 HydrophobicContact CG-CD1 4.01Å; L146-R171 PolarHBondContact O-N 2.87Å
147	S	98.7	Very high	96.2	Very high	7 Å²	7	28.1 Å²	28.1	5%	0.049	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	120.1	174	-179.9	0	0	0	0	111	L122 D123 L124	L122-S147 PolarHBondContact O-N 2.83Å; D123-S147 WeakPolarHBondContact OD1-CB 3.28Å; D123-S147 PolarHBondContact OD1-OG 2.73Å; L124-S147 CarbonylContact C-O 3.49Å; L124-S147 WeakPolarHBondContact CA-O 3.26Å; L124-S147 PolarHBondContact N-O 3.43Å
148	L	98.7	Very high	96.1	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.17	C	C	.	.			trans	-122.4	23.1	174.5	-67.6	163.1	0	0	0	110.4	L124 L129 L132 F137 L146 N151 I153 F161 R171 L172 N175	L124-L148 HydrophobicContact CB-CD2 3.89Å; L124-L148 HydrophobicContact CD1-CD2 3.99Å; L129-L148 HydrophobicContact CD1-CD2 3.65Å; L132-L148 HydrophobicContact CD1-CD1 3.82Å; L132-L148 HydrophobicContact CD2-CD1 4.5Å; F137-L148 HydrophobicContact CE2-CD1 4.27Å; F137-L148 HydrophobicContact CZ-CD1 3.84Å; F137-L148 HydrophobicContact CZ-CD2 4.02Å; F137-L148 HydrophobicContact CZ-CG 4.43Å; L146-L148 HydrophobicContact CD1-CG 4.2Å; L146-L148 HydrophobicContact CD2-CD1 4.03Å; L146-L148 HydrophobicContact CG-CD1 4.12Å; L146-L148 HydrophobicContact CG-CG 4.16Å; L148-N151 PolarHBondContact O-ND2 2.85Å; L148-N151 VanDerWaalsContact O-ND2 3.17Å; L148-I153 HydrophobicContact CB-CD1 4.14Å; L148-F161 HydrophobicContact CD1-CE1 3.94Å; L148-F161 HydrophobicContact CD1-CZ 4.39Å; L148-R171 CarbonylContact C-O 3.58Å; L148-R171 WeakPolarHBondContact CA-O 3.48Å; L148-R171 PolarHBondContact N-O 2.84Å; L148-L172 HydrophobicContact CB-CD2 4Å; L148-L172 HydrophobicContact CD1-CD2 3.97Å; L148-N175 PolarHBondContact O-ND2 2Å
149	A	98.8	Very high	96	Very high	11 Å²	11	29.3 Å²	29.3	9%	0.091	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	151.8	-174.3	0	0	0	0	0	112.7	S125 F126 N151 R171 T173	S125-A149 CarbonylContact C-O 3.25Å; S125-A149 WeakPolarHBondContact CA-O 3.36Å; S125-A149 VanDerWaalsContact CB-O 3.3Å; S125-A149 WeakPolarHBondContact CB-O 3.39Å; F126-A149 PolarHBondContact N-O 3.03Å; A149-N151 PolarHBondContact O-N 2.85Å; A149-N151 VanDerWaalsContact O-N 3.14Å; A149-N151 PolarHBondContact O-ND2 2.95Å; A149-R171 PolarHBondContact N-O 3.04Å; A149-T173 CarbonylContact C-O 3.31Å; A149-T173 WeakPolarHBondContact CA-O 3.29Å
150	D	98.7	Very high	96.2	Very high	38 Å²	38	29.2 Å²	29.2	20%	0.203	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	41.7	175.1	-68	-84.4	0	0	0	113.5	F126 T173 R198	F126-D150 WeakPolarHBondContact CA-O 3.24Å; F126-D150 HydrophobicContact CD1-CB 3.68Å; F126-D150 HydrophobicContact CD2-CB 4.39Å; F126-D150 HydrophobicContact CE1-CB 3.57Å; F126-D150 HydrophobicContact CE2-CB 4.29Å; F126-D150 HydrophobicContact CG-CB 4.09Å; F126-D150 HydrophobicContact CZ-CB 3.89Å; D150-T173 PolarHBondContact N-O 3Å; D150-R198 IonicContact OD1-CZ 3.62Å; D150-R198 IonicContact OD1-NH1 3.16Å; D150-R198 PolarHBondContact OD1-NH1 2.7Å; D150-R198 IonicContact OD1-NH2 3.93Å; D150-R198 PolarHBondContact OD1-NH2 2.99Å; D150-R198 IonicContact OD2-NH1 3.69Å; D150-R198 PolarHBondContact OD2-NH1 3.5Å
151	N	98.7	Very high	96.2	Very high	9 Å²	9	29.2 Å²	29.2	5%	0.048	16%	0.164	C	C	.	.	S	Bend	trans	-95.9	-160.5	169.4	-89.1	-84.5	0	0	0	110.7	L124 N127 H128 L129 L148 A149 I153 N175	L124-N151 PolarHBondContact O-ND2 3.44Å; N127-N151 VanDerWaalsContact CA-OD1 3.29Å; N127-N151 WeakPolarHBondContact CA-OD1 3.25Å; N127-N151 WeakPolarHBondContact CB-OD1 3.46Å; N127-N151 PolarHBondContact N-OD1 3.04Å; N127-N151 PolarHBondContact O-OD1 2.68Å; H128-N151 PolarHBondContact N-OD1 2.93Å; L129-N151 HydrophobicContact CB-CB 4.28Å; L129-N151 WeakPolarHBondContact CB-OD1 3.31Å; L129-N151 PolarHBondContact N-OD1 2.94Å; L148-N151 PolarHBondContact O-ND2 2.85Å; L148-N151 VanDerWaalsContact O-ND2 3.17Å; A149-N151 PolarHBondContact O-N 2.85Å; A149-N151 VanDerWaalsContact O-N 3.14Å; A149-N151 PolarHBondContact O-ND2 2.95Å; N151-I153 HydrophobicContact CB-CD1 4.14Å; N151-I153 HydrophobicContact CB-CG1 4.01Å; N151-N175 WeakPolarHBondContact CA-OD1 3.2Å; N151-N175 WeakPolarHBondContact CB-OD1 3.35Å
152	R	98.1	Very high	96.1	Very high	88 Å²	88	29.5 Å²	29.5	33%	0.332	17%	0.166	S	C	.	.			trans	-119	25.1	178.2	-58.2	176.3	-176.7	165.9	1.8	111.6	H128 L129 R130 G154 N175	H128-R152 PolarHBondContact CE1-NH2 2.79Å; H128-R152 VanDerWaalsContact CE1-NH2 3.34Å; L129-R152 CarbonylContact O-C 3.2Å; L129-R152 WeakPolarHBondContact O-CA 3.24Å; L129-R152 WeakPolarHBondContact O-CB 3.36Å; L129-R152 PolarHBondContact O-N 3.47Å; R130-R152 WeakPolarHBondContact CA-O 3.34Å; R130-R152 HydrophobicContact CG-CB 4.33Å; R152-G154 PolarHBondContact O-N 3.44Å; R152-G154 VanDerWaalsContact O-N 3.15Å; R152-N175 PolarHBondContact N-OD1 2.82Å
153	I	98.2	Very high	95.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.163	C	C	.	.			trans	-68.5	112.9	-170.3	-58.5	167.5	0	0	0	109.3	L129 R130 L132 L148 N151 I156 L172 N175 R176 L177	L129-I153 HydrophobicContact CB-CD1 4.34Å; L129-I153 HydrophobicContact CB-CG1 4Å; L129-I153 WeakPolarHBondContact O-CG1 3.32Å; L129-I153 PolarHBondContact O-N 2.75Å; L129-I153 VanDerWaalsContact O-N 3.1Å; R130-I153 WeakPolarHBondContact O-CA 3.27Å; L132-I153 HydrophobicContact CD1-CD1 4.21Å; L132-I153 HydrophobicContact CD2-CD1 4.12Å; L132-I153 HydrophobicContact CG-CD1 4.13Å; L132-I153 HydrophobicContact CG-CG2 4.3Å; L148-I153 HydrophobicContact CB-CD1 4.14Å; N151-I153 HydrophobicContact CB-CD1 4.14Å; N151-I153 HydrophobicContact CB-CG1 4.01Å; I153-I156 HydrophobicContact CG2-CD1 4.42Å; I153-I156 HydrophobicContact CG2-CG1 3.84Å; I153-L172 HydrophobicContact CD1-CD2 4.37Å; I153-N175 HydrophobicContact CB-CB 4.23Å; I153-N175 VanDerWaalsContact CB-OD1 3.28Å; I153-N175 WeakPolarHBondContact CB-OD1 3.23Å; I153-N175 WeakPolarHBondContact CG1-OD1 3.47Å; I153-N175 PolarHBondContact N-OD1 2.8Å; I153-R176 CarbonylContact O-C 3.48Å; I153-R176 WeakPolarHBondContact O-CA 3.3Å; I153-R176 PolarHBondContact O-N 3.14Å; I153-L177 HydrophobicContact CG2-CD2 4.1Å; I153-L177 PolarHBondContact O-N 3.39Å
154	G	95.7	Very high	95.7	Very high	36 Å²	36	28.1 Å²	28.1	37%	0.371	16%	0.163	S	C	.	.			trans	-102.9	-19.1	174.9	0	0	0	0	0	113.6	R130 R152	R130-G154 PolarHBondContact O-N 3.35Å; R152-G154 PolarHBondContact O-N 3.44Å; R152-G154 VanDerWaalsContact O-N 3.15Å
155	S	94.1	Very high	95.5	Very high	62 Å²	62	32.2 Å²	32.2	43%	0.434	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	142.5	179.2	59.5	0	0	0	0	112	R131 L132	R131-S155 CarbonylContact C-O 2.99Å; R131-S155 VanDerWaalsContact CA-O 3.24Å; R131-S155 WeakPolarHBondContact CA-O 2.96Å; R131-S155 WeakPolarHBondContact CB-OG 3.04Å; L132-S155 PolarHBondContact N-O 2.93Å
156	I	95.7	Very high	95.4	Very high	6 Å²	6	36.1 Å²	36.1	3%	0.031	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	127.3	174.1	-59.1	178.3	0	0	0	105.4	L132 I153 A160 F161 L172 L177 W184	L132-I156 HydrophobicContact CB-CG1 4.44Å; L132-I156 HydrophobicContact CB-CG2 4.28Å; L132-I156 HydrophobicContact CD1-CD1 4.16Å; L132-I156 HydrophobicContact CD1-CG1 3.99Å; L132-I156 HydrophobicContact CD1-CG2 4.32Å; L132-I156 HydrophobicContact CG-CG1 4.36Å; I153-I156 HydrophobicContact CG2-CD1 4.42Å; I153-I156 HydrophobicContact CG2-CG1 3.84Å; I156-A160 HydrophobicContact CG2-CB 3.57Å; I156-F161 HydrophobicContact CD1-CE2 4.32Å; I156-F161 HydrophobicContact CD1-CZ 4.28Å; I156-F161 HydrophobicContact CG2-CE2 3.97Å; I156-F161 HydrophobicContact CG2-CZ 4.36Å; I156-L172 HydrophobicContact CD1-CD1 4Å; I156-L172 HydrophobicContact CD1-CD2 4.15Å; I156-L177 HydrophobicContact CD1-CD1 4.11Å; I156-L177 HydrophobicContact CD1-CD2 3.91Å; I156-L177 HydrophobicContact CG1-CD2 3.96Å; I156-W184 HydrophobicContact CB-CD2 3.99Å; I156-W184 HydrophobicContact CB-CG 4.12Å; I156-W184 HydrophobicContact CB-CZ2 4.36Å; I156-W184 HydrophobicContact CD1-CD2 4.49Å; I156-W184 HydrophobicContact CD1-CE3 4.21Å; I156-W184 HydrophobicContact CD1-CZ3 4.36Å; I156-W184 HydrophobicContact CG2-CB 4.21Å; I156-W184 HydrophobicContact CG2-CD2 4.3Å; I156-W184 HydrophobicContact CG2-CG 3.95Å; I156-W184 PolarHBondContact O-NE1 2.85Å
157	A	92.6	Very high	95.4	Very high	32 Å²	32	36.1 Å²	36.1	26%	0.264	20%	0.201	S	C	.	.			trans	-73.7	157.8	175.1	0	0	0	0	0	111.1	L132 N159 A160	L132-A157 WeakPolarHBondContact O-CB 3.29Å; L132-A157 PolarHBondContact O-N 3.01Å; A157-N159 PolarHBondContact O-N 2.94Å; A157-A160 VanDerWaalsContact O-CB 3.3Å; A157-A160 WeakPolarHBondContact O-CB 3.31Å; A157-A160 PolarHBondContact O-N 3.36Å
158	D	91	Very high	95.4	Very high	81 Å²	81	40.2 Å²	40.2	43%	0.433	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	142.4	170.6	-70.8	-22.3	0	0	0	110.6	S134 A160	S134-D158 WeakPolarHBondContact CB-O 3.29Å; S134-D158 PolarHBondContact OG-O 2.69Å; D158-A160 PolarHBondContact O-N 2.93Å; D158-A160 VanDerWaalsContact O-N 3.14Å
159	N	90.1	Very high	95.4	Very high	59 Å²	59	40.8 Å²	40.8	32%	0.316	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	23.7	-180	-55.4	-55.8	0	0	0	113.9	N135 A157 F161 H162 G183 S186	N135-N159 PolarHBondContact N-O 3.2Å; A157-N159 PolarHBondContact O-N 2.94Å; N159-F161 PolarHBondContact O-N 3.4Å; N159-H162 HydrophobicContact CB-CB 3.88Å; N159-H162 WeakPolarHBondContact O-CB 3.33Å; N159-H162 PolarHBondContact O-N 2.91Å; N159-H162 VanDerWaalsContact O-N 3.13Å; N159-G183 PolarHBondContact N-O 3.23Å; N159-S186 WeakPolarHBondContact OD1-CB 3.45Å; N159-S186 PolarHBondContact OD1-OG 2.82Å; N159-S186 VanDerWaalsContact OD1-OG 3.11Å
160	A	93.2	Very high	95.4	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-35.4	175.5	0	0	0	0	0	112.9	L132 R133 I156 A157 D158	L132-A160 HydrophobicContact CB-CB 4.19Å; R133-A160 WeakPolarHBondContact O-CA 3.28Å; R133-A160 WeakPolarHBondContact O-CB 3.18Å; I156-A160 HydrophobicContact CG2-CB 3.57Å; A157-A160 VanDerWaalsContact O-CB 3.3Å; A157-A160 WeakPolarHBondContact O-CB 3.31Å; A157-A160 PolarHBondContact O-N 3.36Å; D158-A160 PolarHBondContact O-N 2.93Å; D158-A160 VanDerWaalsContact O-N 3.14Å
161	F	95.2	Very high	95.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	16.9	179.4	-52.5	-65.8	0	0	0	113.5	L132 F137 L146 L148 I156 N159 L164 L170 L172 W184 F185 L188	L132-F161 HydrophobicContact CD1-CE1 3.82Å; L132-F161 HydrophobicContact CD1-CZ 3.57Å; F137-F161 AromaticContact CD2-CD1 3.9Å; F137-F161 HydrophobicContact CD2-CD1 3.9Å; F137-F161 HydrophobicContact CD2-CE1 4.23Å; F137-F161 AromaticContact CE2-CD1 3.92Å; F137-F161 HydrophobicContact CE2-CD1 3.92Å; F137-F161 AromaticContact CE2-CE1 3.76Å; F137-F161 HydrophobicContact CE2-CE1 3.76Å; L146-F161 HydrophobicContact CD2-CD1 4.03Å; L146-F161 HydrophobicContact CD2-CE1 4.02Å; L148-F161 HydrophobicContact CD1-CE1 3.94Å; L148-F161 HydrophobicContact CD1-CZ 4.39Å; I156-F161 HydrophobicContact CD1-CE2 4.32Å; I156-F161 HydrophobicContact CD1-CZ 4.28Å; I156-F161 HydrophobicContact CG2-CE2 3.97Å; I156-F161 HydrophobicContact CG2-CZ 4.36Å; N159-F161 PolarHBondContact O-N 3.4Å; F161-L164 HydrophobicContact CB-CD1 4.06Å; F161-L164 HydrophobicContact CD1-CD1 4.24Å; F161-L164 WeakPolarHBondContact O-CG 3.31Å; F161-L164 PolarHBondContact O-N 3.5Å; F161-L170 HydrophobicContact CD1-CD1 4.44Å; F161-L170 HydrophobicContact CD1-CD2 4.46Å; F161-L170 HydrophobicContact CD2-CD2 4.08Å; F161-L170 HydrophobicContact CE1-CD1 3.97Å; F161-L170 HydrophobicContact CE1-CD2 4.26Å; F161-L170 HydrophobicContact CE2-CD2 3.88Å; F161-L170 HydrophobicContact CG-CD2 4.37Å; F161-L170 HydrophobicContact CZ-CD1 4.24Å; F161-L170 HydrophobicContact CZ-CD2 3.98Å; F161-L172 HydrophobicContact CE2-CD1 4.48Å; F161-L172 HydrophobicContact CZ-CD1 4.25Å; F161-L172 HydrophobicContact CZ-CD2 4.42Å; F161-W184 WeakPolarHBondContact CD2-O 3.25Å; F161-F185 HydrophobicContact CD2-CD1 4.44Å; F161-F185 HydrophobicContact CE2-CE1 4.44Å; F161-L188 HydrophobicContact CB-CD1 3.96Å; F161-L188 HydrophobicContact CB-CD2 3.95Å; F161-L188 HydrophobicContact CB-CG 4.18Å; F161-L188 HydrophobicContact CD2-CD1 4.35Å; F161-L188 HydrophobicContact CG-CD1 4.36Å
162	H	91.7	Very high	95.4	Very high	93 Å²	93	43.1 Å²	43.1	43%	0.431	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	139.9	-178.6	-172.6	84.4	0	0	0	111.5	N159	N159-H162 HydrophobicContact CB-CB 3.88Å; N159-H162 WeakPolarHBondContact O-CB 3.33Å; N159-H162 PolarHBondContact O-N 2.91Å; N159-H162 VanDerWaalsContact O-N 3.13Å
163	G	90.6	Very high	95.4	Very high	17 Å²	17	39.7 Å²	39.7	18%	0.175	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.3	-5.8	-178.8	0	0	0	0	0	115.2	F141 L165	F141-G163 WeakPolarHBondContact CD1-O 3.29Å; G163-L165 PolarHBondContact O-N 3.33Å
164	L	95.5	Very high	95.5	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	22%	0.224	C	C	.	.			trans	-79.3	69.9	174.1	-56.5	-176.4	0	0	0	110.9	F137 L140 L143 L146 F161 K166 L167 L188	F137-L164 HydrophobicContact CB-CD1 4.16Å; F137-L164 HydrophobicContact CB-CD2 3.96Å; F137-L164 HydrophobicContact CB-CG 4.35Å; L140-L164 HydrophobicContact CB-CD2 3.66Å; L140-L164 WeakPolarHBondContact O-CD2 3.39Å; L143-L164 HydrophobicContact CB-CD2 4.25Å; L143-L164 HydrophobicContact CD2-CD1 4.39Å; L143-L164 HydrophobicContact CD2-CD2 4.08Å; L146-L164 HydrophobicContact CD2-CD1 4.07Å; F161-L164 HydrophobicContact CB-CD1 4.06Å; F161-L164 HydrophobicContact CD1-CD1 4.24Å; F161-L164 WeakPolarHBondContact O-CG 3.31Å; F161-L164 PolarHBondContact O-N 3.5Å; L164-K166 VanDerWaalsContact C-N 3.29Å; L164-K166 PolarHBondContact O-N 2.91Å; L164-L167 HydrophobicContact CB-CB 3.96Å; L164-L167 HydrophobicContact CB-CD2 4.33Å; L164-L167 HydrophobicContact CD1-CD2 3.88Å; L164-L167 PolarHBondContact O-N 3.25Å; L164-L188 HydrophobicContact CB-CD2 3.95Å
165	L	93.8	Very high	95.6	Very high	111 Å²	111	39 Å²	39	58%	0.581	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-17.1	-167.4	-61.1	178.9	0	0	0	114.9	G163 T190	G163-L165 PolarHBondContact O-N 3.33Å; L165-T190 VanDerWaalsContact O-CG2 3.24Å; L165-T190 WeakPolarHBondContact O-CG2 3.37Å; L165-T190 PolarHBondContact O-OG1 3.33Å
166	K	96.8	Very high	95.8	Very high	107 Å²	107	42.6 Å²	42.6	47%	0.465	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	8.8	178.7	-66.1	-166.3	-177.6	169.4	0	113.6	N142 L143 L164 E168 T190	N142-K166 VanDerWaalsContact OD1-CE 3.27Å; N142-K166 WeakPolarHBondContact OD1-CE 3.47Å; N142-K166 PolarHBondContact OD1-NZ 2.92Å; L143-K166 CarbonylContact O-C 3.1Å; L164-K166 VanDerWaalsContact C-N 3.29Å; L164-K166 PolarHBondContact O-N 2.91Å; K166-E168 PolarHBondContact O-N 2.9Å; K166-T190 VanDerWaalsContact C-OG1 3.28Å
167	L	98.1	Very high	95.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.21	C	C	.	.			trans	-66.8	121.4	-174.4	-164.4	73	0	0	0	110.4	L143 L146 L164 L170 L188 T190 L191	L143-L167 HydrophobicContact CB-CD1 4.49Å; L143-L167 HydrophobicContact CD2-CD1 4.07Å; L143-L167 HydrophobicContact CG-CD1 4.14Å; L143-L167 WeakPolarHBondContact O-CA 3.2Å; L143-L167 PolarHBondContact O-N 3.2Å; L146-L167 HydrophobicContact CB-CD1 3.84Å; L164-L167 HydrophobicContact CB-CB 3.96Å; L164-L167 HydrophobicContact CB-CD2 4.33Å; L164-L167 HydrophobicContact CD1-CD2 3.88Å; L164-L167 PolarHBondContact O-N 3.25Å; L167-L170 HydrophobicContact CD2-CB 4.14Å; L167-L188 HydrophobicContact CB-CD2 4.29Å; L167-L188 HydrophobicContact CD2-CD1 4.4Å; L167-L188 HydrophobicContact CD2-CD2 3.89Å; L167-T190 PolarHBondContact N-OG1 3.09Å; L167-T190 VanDerWaalsContact N-OG1 3.15Å; L167-T190 CarbonylContact O-C 3.44Å; L167-T190 PolarHBondContact O-OG1 3.35Å; L167-L191 HydrophobicContact CB-CD1 4.44Å; L167-L191 HydrophobicContact CD2-CD1 3.9Å; L167-L191 HydrophobicContact CG-CD1 3.92Å; L167-L191 WeakPolarHBondContact O-CA 3.39Å; L167-L191 PolarHBondContact O-N 2.75Å; L167-L191 VanDerWaalsContact O-N 3.12Å
168	E	98.4	Very high	95.8	Very high	93 Å²	93	42.8 Å²	42.8	44%	0.435	22%	0.215	S	C	.	.			trans	-103	-36.5	178.6	-62.1	-174	169.7	0	0	111	E144 K166 T192 T193	E144-E168 PolarHBondContact O-N 2.96Å; K166-E168 PolarHBondContact O-N 2.9Å; E168-T192 PolarHBondContact O-N 3.12Å; E168-T192 PolarHBondContact O-OG1 3.04Å; E168-T192 VanDerWaalsContact O-OG1 3.1Å; E168-T193 PolarHBondContact O-N 2.86Å
169	A	98.6	Very high	95.8	Very high	13 Å²	13	43.8 Å²	43.8	11%	0.107	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	126.1	-177.4	0	0	0	0	0	112.8	E144 E145 L146 T193	E144-A169 PolarHBondContact O-N 3.5Å; E145-A169 WeakPolarHBondContact CA-O 3.4Å; E145-A169 HydrophobicContact CB-CB 4.36Å; E145-A169 HydrophobicContact CG-CB 4.04Å; L146-A169 PolarHBondContact N-O 3.15Å; A169-T193 WeakPolarHBondContact CA-O 3.44Å
170	L	98.7	Very high	95.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	116.6	174.5	178.5	58.7	0	0	0	110.1	L146 F161 L167 L172 F185 L188 L191 T193 L194 L195	L146-L170 HydrophobicContact CB-CD1 4.08Å; L146-L170 HydrophobicContact CD2-CD1 3.94Å; L146-L170 HydrophobicContact CG-CD1 4.01Å; F161-L170 HydrophobicContact CD1-CD1 4.44Å; F161-L170 HydrophobicContact CD1-CD2 4.46Å; F161-L170 HydrophobicContact CD2-CD2 4.08Å; F161-L170 HydrophobicContact CE1-CD1 3.97Å; F161-L170 HydrophobicContact CE1-CD2 4.26Å; F161-L170 HydrophobicContact CE2-CD2 3.88Å; F161-L170 HydrophobicContact CG-CD2 4.37Å; F161-L170 HydrophobicContact CZ-CD1 4.24Å; F161-L170 HydrophobicContact CZ-CD2 3.98Å; L167-L170 HydrophobicContact CD2-CB 4.14Å; L170-L172 HydrophobicContact CD1-CG 4.42Å; L170-L172 HydrophobicContact CD2-CD1 4.08Å; L170-L172 HydrophobicContact CG-CD1 4.21Å; L170-L172 HydrophobicContact CG-CG 4.3Å; L170-F185 HydrophobicContact CD2-CD1 4.28Å; L170-F185 HydrophobicContact CD2-CE1 4.12Å; L170-L188 HydrophobicContact CD2-CD1 4.14Å; L170-L191 HydrophobicContact CB-CD1 3.77Å; L170-L191 HydrophobicContact CB-CD2 4.31Å; L170-T193 PolarHBondContact N-O 2.93Å; L170-L194 HydrophobicContact CB-CD1 4.13Å; L170-L194 HydrophobicContact CD2-CD1 4.02Å; L170-L194 HydrophobicContact CG-CD1 4.1Å; L170-L195 PolarHBondContact O-N 3.44Å
171	R	98.8	Very high	95.5	Very high	106 Å²	106	45.3 Å²	45.3	40%	0.4	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	111.8	179.6	-43.8	-174.1	-177	-155	0.1	110.9	E145 L146 L148 A149 L195	E145-R171 IonicContact OE1-CZ 3.74Å; E145-R171 IonicContact OE1-NE 3.39Å; E145-R171 PolarHBondContact OE1-NE 2.84Å; E145-R171 IonicContact OE1-NH2 3.66Å; E145-R171 PolarHBondContact OE1-NH2 2.82Å; L146-R171 PolarHBondContact O-N 2.87Å; L148-R171 CarbonylContact C-O 3.58Å; L148-R171 WeakPolarHBondContact CA-O 3.48Å; L148-R171 PolarHBondContact N-O 2.84Å; A149-R171 PolarHBondContact N-O 3.04Å; R171-L195 HydrophobicContact CB-CD1 4.45Å; R171-L195 HydrophobicContact CG-CD1 3.97Å
172	L	98.7	Very high	95	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.243	C	C	.	.			trans	-115.7	18.5	175.2	-73.3	164.2	0	0	0	111.6	L148 I153 I156 F161 L170 N175 L177 F185 L195 L196 N199	L148-L172 HydrophobicContact CB-CD2 4Å; L148-L172 HydrophobicContact CD1-CD2 3.97Å; I153-L172 HydrophobicContact CD1-CD2 4.37Å; I156-L172 HydrophobicContact CD1-CD1 4Å; I156-L172 HydrophobicContact CD1-CD2 4.15Å; F161-L172 HydrophobicContact CE2-CD1 4.48Å; F161-L172 HydrophobicContact CZ-CD1 4.25Å; F161-L172 HydrophobicContact CZ-CD2 4.42Å; L170-L172 HydrophobicContact CD1-CG 4.42Å; L170-L172 HydrophobicContact CD2-CD1 4.08Å; L170-L172 HydrophobicContact CG-CD1 4.21Å; L170-L172 HydrophobicContact CG-CG 4.3Å; L172-N175 PolarHBondContact O-ND2 2.82Å; L172-L177 HydrophobicContact CB-CD1 4.44Å; L172-L177 HydrophobicContact CD1-CD1 4.49Å; L172-F185 HydrophobicContact CD1-CE1 4.38Å; L172-L195 CarbonylContact C-O 3.1Å; L172-L195 WeakPolarHBondContact CA-O 3.3Å; L172-L195 PolarHBondContact N-O 2.89Å; L172-L196 HydrophobicContact CB-CD2 3.88Å; L172-L196 HydrophobicContact CD1-CD2 3.92Å; L172-N199 PolarHBondContact O-ND2 2.91Å
173	T	98.8	Very high	94.9	Very high	16 Å²	16	45 Å²	45	10%	0.098	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	142.8	-179.8	-54.2	0	0	0	0	112	A149 D150 N175 L195 N197 R198	A149-T173 CarbonylContact C-O 3.31Å; A149-T173 WeakPolarHBondContact CA-O 3.29Å; D150-T173 PolarHBondContact N-O 3Å; T173-N175 PolarHBondContact O-N 2.83Å; T173-N175 PolarHBondContact O-ND2 2.89Å; T173-L195 PolarHBondContact N-O 3.49Å; T173-N197 CarbonylContact C-O 3.26Å; T173-N197 WeakPolarHBondContact CA-O 3.3Å; T173-N197 WeakPolarHBondContact CB-OD1 3.25Å; T173-N197 VanDerWaalsContact CG2-OD1 3.26Å; T173-N197 WeakPolarHBondContact CG2-OD1 3.44Å; T173-N197 PolarHBondContact OG1-OD1 3.31Å; T173-R198 HydrophobicContact CG2-CB 4.39Å
174	G	98.6	Very high	94.9	Very high	15 Å²	15	44.3 Å²	44.3	16%	0.155	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	23.6	168.4	0	0	0	0	0	115.4	N197 R198	G174-N197 PolarHBondContact N-O 3.25Å; G174-R198 CarbonylContact C-O 3.5Å; G174-R198 WeakPolarHBondContact CA-O 3.3Å; G174-R198 PolarHBondContact N-O 2.92Å
175	N	98.7	Very high	94.8	Very high	7 Å²	7	44.3 Å²	44.3	4%	0.037	22%	0.224	C	C	.	.	S	Bend	trans	-99	-164.5	178.3	-82.4	-73.4	0	0	0	112.1	L148 N151 R152 I153 L172 T173 L177 N199	L148-N175 PolarHBondContact O-ND2 2Å; N151-N175 WeakPolarHBondContact CA-OD1 3.2Å; N151-N175 WeakPolarHBondContact CB-OD1 3.35Å; R152-N175 PolarHBondContact N-OD1 2.82Å; I153-N175 HydrophobicContact CB-CB 4.23Å; I153-N175 VanDerWaalsContact CB-OD1 3.28Å; I153-N175 WeakPolarHBondContact CB-OD1 3.23Å; I153-N175 WeakPolarHBondContact CG1-OD1 3.47Å; I153-N175 PolarHBondContact N-OD1 2.8Å; L172-N175 PolarHBondContact O-ND2 2.82Å; T173-N175 PolarHBondContact O-N 2.83Å; T173-N175 PolarHBondContact O-ND2 2.89Å; N175-L177 HydrophobicContact CB-CG 4.43Å; N175-N199 VanDerWaalsContact CA-OD1 3.26Å; N175-N199 WeakPolarHBondContact CA-OD1 3.1Å; N175-N199 WeakPolarHBondContact CB-OD1 3.07Å; N175-N199 PolarHBondContact N-OD1 3.04Å; N175-N199 PolarHBondContact O-OD1 3.19Å
176	R	97.9	Very high	94.6	Very high	137 Å²	137	41 Å²	41	52%	0.517	21%	0.21	S	C	.	.			trans	-118.3	28	-175.8	-57.6	-179.6	-179.6	-175.3	-2.8	112.4	I153 A178 N199	I153-R176 CarbonylContact O-C 3.48Å; I153-R176 WeakPolarHBondContact O-CA 3.3Å; I153-R176 PolarHBondContact O-N 3.14Å; R176-A178 PolarHBondContact O-N 3Å; R176-N199 PolarHBondContact N-OD1 2.8Å
177	L	97	Very high	94.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.202	C	C	.	.			trans	-70.1	128.6	-179.1	-58.8	172.9	0	0	0	110.4	I153 I156 L172 N175 W184 L196 N199 Q200 L201	I153-L177 HydrophobicContact CG2-CD2 4.1Å; I153-L177 PolarHBondContact O-N 3.39Å; I156-L177 HydrophobicContact CD1-CD1 4.11Å; I156-L177 HydrophobicContact CD1-CD2 3.91Å; I156-L177 HydrophobicContact CG1-CD2 3.96Å; L172-L177 HydrophobicContact CB-CD1 4.44Å; L172-L177 HydrophobicContact CD1-CD1 4.49Å; N175-L177 HydrophobicContact CB-CG 4.43Å; L177-W184 HydrophobicContact CD1-CZ3 4.26Å; L177-W184 HydrophobicContact CD2-CH2 4.01Å; L177-W184 HydrophobicContact CD2-CZ3 4.28Å; L177-L196 HydrophobicContact CD1-CD2 3.79Å; L177-N199 HydrophobicContact CB-CB 4.37Å; L177-N199 WeakPolarHBondContact CB-OD1 3.3Å; L177-N199 PolarHBondContact N-OD1 2.59Å; L177-N199 VanDerWaalsContact N-OD1 3.16Å; L177-Q200 CarbonylContact O-C 3.47Å; L177-Q200 VanDerWaalsContact O-CA 3.25Å; L177-Q200 WeakPolarHBondContact O-CA 3.4Å; L177-Q200 WeakPolarHBondContact O-CB 3.42Å; L177-Q200 PolarHBondContact O-N 3.15Å; L177-L201 HydrophobicContact CB-CD2 4.14Å; L177-L201 PolarHBondContact O-N 2.99Å
178	A	92.1	Very high	94.1	Very high	43 Å²	43	37.3 Å²	37.3	36%	0.355	20%	0.202	S	C	.	.			trans	-102.5	-23.4	-175.6	0	0	0	0	0	114.4	R176 T202	R176-A178 PolarHBondContact O-N 3Å; A178-T202 PolarHBondContact O-N 3.01Å; A178-T202 PolarHBondContact O-OG1 3.35Å
179	F	90	Very high	93.8	Very high	102 Å²	102	40 Å²	40	45%	0.447	21%	0.213	S	C	.	.	S	Bend	trans	-145.9	172.8	177.2	53.6	-90.8	0	0	0	109	Q181 W184 L201	F179-Q181 HydrophobicContact CD2-CG 3.68Å; F179-Q181 HydrophobicContact CE2-CG 3.48Å; F179-Q181 VanDerWaalsContact CE2-CG 3.48Å; F179-W184 HydrophobicContact CD2-CZ2 4.23Å; F179-W184 HydrophobicContact CE2-CZ2 4.05Å; F179-W184 WeakPolarHBondContact O-CH2 3.46Å; F179-W184 VanDerWaalsContact O-CZ3 3.31Å; F179-W184 WeakPolarHBondContact O-CZ3 3.21Å; F179-L201 WeakPolarHBondContact O-CD2 3.3Å
180	I	91.7	Very high	93.7	Very high	7 Å²	7	41.8 Å²	41.8	4%	0.036	22%	0.222	C	C	.	.			trans	-115.4	134.9	170.7	-59.4	177.3	0	0	0	107.9	W184 F185 L196 L201 L204 N208 F209 L220	I180-W184 HydrophobicContact CB-CZ3 4.41Å; I180-W184 HydrophobicContact CG1-CZ3 4.48Å; I180-W184 HydrophobicContact CG2-CE3 4.24Å; I180-W184 HydrophobicContact CG2-CZ3 4.44Å; I180-F185 HydrophobicContact CG2-CE2 3.69Å; I180-F185 HydrophobicContact CG2-CZ 4.49Å; I180-L196 HydrophobicContact CD1-CD1 3.87Å; I180-L201 HydrophobicContact CD1-CD1 3.88Å; I180-L201 HydrophobicContact CG1-CD1 4.03Å; I180-L201 HydrophobicContact CG1-CD2 3.81Å; I180-L204 HydrophobicContact CD1-CD2 3.99Å; I180-N208 HydrophobicContact CB-CB 4.25Å; I180-N208 HydrophobicContact CG2-CB 3.9Å; I180-F209 HydrophobicContact CD1-CE1 3.68Å; I180-F209 HydrophobicContact CD1-CE2 4.41Å; I180-F209 HydrophobicContact CD1-CZ 3.38Å; I180-L220 HydrophobicContact CD1-CD2 4.17Å
181	Q	86.8	Confident	93.7	Very high	83 Å²	83	41.8 Å²	41.8	39%	0.388	22%	0.222	S	C	.	.			trans	-108.4	139.7	166.2	-53	179.5	-60.1	0	0	109.7	F179 G183 W184	F179-Q181 HydrophobicContact CD2-CG 3.68Å; F179-Q181 HydrophobicContact CE2-CG 3.48Å; F179-Q181 VanDerWaalsContact CE2-CG 3.48Å; Q181-G183 PolarHBondContact O-N 2.84Å; Q181-W184 HydrophobicContact CB-CD2 4.24Å; Q181-W184 HydrophobicContact CB-CG 4.26Å; Q181-W184 HydrophobicContact CB-CZ2 4.39Å; Q181-W184 HydrophobicContact CG-CZ2 4.03Å; Q181-W184 WeakPolarHBondContact O-CB 3.31Å; Q181-W184 PolarHBondContact O-N 3.22Å
182	S	84.7	Confident	93.7	Very high	67 Å²	67	38.6 Å²	38.6	47%	0.469	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-61.9	-28.9	178.8	53.3	0	0	0	0	112.9	W184 D207	S182-W184 VanDerWaalsContact C-N 3.26Å; S182-W184 PolarHBondContact O-N 2.8Å; S182-D207 WeakPolarHBondContact CB-O 3.49Å
183	G	88	Confident	93.7	Very high	19 Å²	19	40.4 Å²	40.4	20%	0.196	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-68.2	-17.6	179.4	0	0	0	0	0	115.1	N159 Q181 S186	N159-G183 PolarHBondContact N-O 3.23Å; Q181-G183 PolarHBondContact O-N 2.84Å; G183-S186 WeakPolarHBondContact O-CB 3.3Å
184	W	91	Very high	93.7	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.015	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-64.1	-45.6	179.6	-61.9	-9.1	0	0	0	111.7	I156 F161 L177 F179 I180 Q181 S182 S186	I156-W184 HydrophobicContact CB-CD2 3.99Å; I156-W184 HydrophobicContact CB-CG 4.12Å; I156-W184 HydrophobicContact CB-CZ2 4.36Å; I156-W184 HydrophobicContact CD1-CD2 4.49Å; I156-W184 HydrophobicContact CD1-CE3 4.21Å; I156-W184 HydrophobicContact CD1-CZ3 4.36Å; I156-W184 HydrophobicContact CG2-CB 4.21Å; I156-W184 HydrophobicContact CG2-CD2 4.3Å; I156-W184 HydrophobicContact CG2-CG 3.95Å; I156-W184 PolarHBondContact O-NE1 2.85Å; F161-W184 WeakPolarHBondContact CD2-O 3.25Å; L177-W184 HydrophobicContact CD1-CZ3 4.26Å; L177-W184 HydrophobicContact CD2-CH2 4.01Å; L177-W184 HydrophobicContact CD2-CZ3 4.28Å; F179-W184 HydrophobicContact CD2-CZ2 4.23Å; F179-W184 HydrophobicContact CE2-CZ2 4.05Å; F179-W184 WeakPolarHBondContact O-CH2 3.46Å; F179-W184 VanDerWaalsContact O-CZ3 3.31Å; F179-W184 WeakPolarHBondContact O-CZ3 3.21Å; I180-W184 HydrophobicContact CB-CZ3 4.41Å; I180-W184 HydrophobicContact CG1-CZ3 4.48Å; I180-W184 HydrophobicContact CG2-CE3 4.24Å; I180-W184 HydrophobicContact CG2-CZ3 4.44Å; Q181-W184 HydrophobicContact CB-CD2 4.24Å; Q181-W184 HydrophobicContact CB-CG 4.26Å; Q181-W184 HydrophobicContact CB-CZ2 4.39Å; Q181-W184 HydrophobicContact CG-CZ2 4.03Å; Q181-W184 WeakPolarHBondContact O-CB 3.31Å; Q181-W184 PolarHBondContact O-N 3.22Å; S182-W184 VanDerWaalsContact C-N 3.26Å; S182-W184 PolarHBondContact O-N 2.8Å; W184-S186 VanDerWaalsContact C-N 3.3Å; W184-S186 PolarHBondContact O-N 2.82Å
185	F	93.2	Very high	93.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-95.5	18.4	-172.7	-49.3	-57.1	0	0	0	112.9	F161 L170 L172 I180 G187 L188 L194 L196 F209 S211 L212	F161-F185 HydrophobicContact CD2-CD1 4.44Å; F161-F185 HydrophobicContact CE2-CE1 4.44Å; L170-F185 HydrophobicContact CD2-CD1 4.28Å; L170-F185 HydrophobicContact CD2-CE1 4.12Å; L172-F185 HydrophobicContact CD1-CE1 4.38Å; I180-F185 HydrophobicContact CG2-CE2 3.69Å; I180-F185 HydrophobicContact CG2-CZ 4.49Å; F185-G187 PolarHBondContact O-N 2.7Å; F185-L188 HydrophobicContact CB-CD1 4.27Å; F185-L188 HydrophobicContact CD1-CD1 4.15Å; F185-L188 PolarHBondContact O-N 3.43Å; F185-L194 HydrophobicContact CE1-CD1 4.04Å; F185-L194 HydrophobicContact CE1-CD2 4.1Å; F185-L194 HydrophobicContact CE2-CD2 4.1Å; F185-L194 HydrophobicContact CZ-CD1 4.34Å; F185-L194 HydrophobicContact CZ-CD2 3.85Å; F185-L196 HydrophobicContact CZ-CD1 4.24Å; F185-F209 HydrophobicContact CE2-CD1 4.31Å; F185-F209 HydrophobicContact CE2-CE1 4.37Å; F185-S211 WeakPolarHBondContact O-CB 3.48Å; F185-S211 PolarHBondContact O-OG 2.86Å; F185-L212 HydrophobicContact CB-CD1 4.2Å; F185-L212 HydrophobicContact CB-CD2 3.8Å; F185-L212 HydrophobicContact CB-CG 4.04Å; F185-L212 HydrophobicContact CD2-CD1 4.19Å; F185-L212 HydrophobicContact CG-CD1 4.16Å; F185-L212 HydrophobicContact CG-CD2 4.49Å
186	S	91.1	Very high	93.7	Very high	42 Å²	42	40 Å²	40	29%	0.294	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	125.7	177.7	179.8	0	0	0	0	110.4	N159 G183 W184	N159-S186 WeakPolarHBondContact OD1-CB 3.45Å; N159-S186 PolarHBondContact OD1-OG 2.82Å; N159-S186 VanDerWaalsContact OD1-OG 3.11Å; G183-S186 WeakPolarHBondContact O-CB 3.3Å; W184-S186 VanDerWaalsContact C-N 3.3Å; W184-S186 PolarHBondContact O-N 2.82Å
187	G	87.7	Confident	93.7	Very high	29 Å²	29	34.6 Å²	34.6	30%	0.299	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	90	-9	178	0	0	0	0	0	116.2	F185 K189	F185-G187 PolarHBondContact O-N 2.7Å; G187-K189 PolarHBondContact O-N 2.88Å
188	L	95.1	Very high	93.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.221	C	C	.	.			trans	-78.3	64	179.5	-63.9	-176.4	0	0	0	112.7	F161 L164 L167 L170 F185 T190 L191 L212	F161-L188 HydrophobicContact CB-CD1 3.96Å; F161-L188 HydrophobicContact CB-CD2 3.95Å; F161-L188 HydrophobicContact CB-CG 4.18Å; F161-L188 HydrophobicContact CD2-CD1 4.35Å; F161-L188 HydrophobicContact CG-CD1 4.36Å; L164-L188 HydrophobicContact CB-CD2 3.95Å; L167-L188 HydrophobicContact CB-CD2 4.29Å; L167-L188 HydrophobicContact CD2-CD1 4.4Å; L167-L188 HydrophobicContact CD2-CD2 3.89Å; L170-L188 HydrophobicContact CD2-CD1 4.14Å; F185-L188 HydrophobicContact CB-CD1 4.27Å; F185-L188 HydrophobicContact CD1-CD1 4.15Å; F185-L188 PolarHBondContact O-N 3.43Å; L188-T190 VanDerWaalsContact C-N 3.31Å; L188-T190 PolarHBondContact O-N 3.17Å; L188-L191 HydrophobicContact CB-CB 4.18Å; L188-L191 HydrophobicContact CD1-CD2 4.19Å; L188-L212 HydrophobicContact CB-CD2 3.8Å
189	K	92.3	Very high	94.1	Very high	150 Å²	150	38.4 Å²	38.4	65%	0.652	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-17.1	-172.4	-65.3	-176.5	-179	179.1	0	114.6	G187 E214	G187-K189 PolarHBondContact O-N 2.88Å; K189-E214 WeakPolarHBondContact O-CG 3.34Å
190	T	97.2	Very high	94.5	Very high	50 Å²	50	37.3 Å²	37.3	31%	0.307	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-3.1	-178.5	50.8	0	0	0	0	113.3	L165 K166 L167 L188 T192	L165-T190 VanDerWaalsContact O-CG2 3.24Å; L165-T190 WeakPolarHBondContact O-CG2 3.37Å; L165-T190 PolarHBondContact O-OG1 3.33Å; K166-T190 VanDerWaalsContact C-OG1 3.28Å; L167-T190 PolarHBondContact N-OG1 3.09Å; L167-T190 VanDerWaalsContact N-OG1 3.15Å; L167-T190 CarbonylContact O-C 3.44Å; L167-T190 PolarHBondContact O-OG1 3.35Å; L188-T190 VanDerWaalsContact C-N 3.31Å; L188-T190 PolarHBondContact O-N 3.17Å; T190-T192 PolarHBondContact O-N 2.82Å
191	L	98.3	Very high	94.7	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.201	C	C	.	.			trans	-69.1	119.1	-170.7	-165.7	78.5	0	0	0	110.8	L167 L170 L188 L194 L212 E214 L215	L167-L191 HydrophobicContact CB-CD1 4.44Å; L167-L191 HydrophobicContact CD2-CD1 3.9Å; L167-L191 HydrophobicContact CG-CD1 3.92Å; L167-L191 WeakPolarHBondContact O-CA 3.39Å; L167-L191 PolarHBondContact O-N 2.75Å; L167-L191 VanDerWaalsContact O-N 3.12Å; L170-L191 HydrophobicContact CB-CD1 3.77Å; L170-L191 HydrophobicContact CB-CD2 4.31Å; L188-L191 HydrophobicContact CB-CB 4.18Å; L188-L191 HydrophobicContact CD1-CD2 4.19Å; L191-L194 HydrophobicContact CD2-CB 4.1Å; L191-L194 HydrophobicContact CD2-CD1 4.42Å; L191-L212 HydrophobicContact CB-CD2 4.08Å; L191-L212 HydrophobicContact CD2-CD1 4.26Å; L191-L212 HydrophobicContact CD2-CD2 3.71Å; L191-E214 CarbonylContact O-C 3.24Å; L191-E214 VanDerWaalsContact O-C 3.29Å; L191-L215 HydrophobicContact CD2-CD1 4.23Å; L191-L215 HydrophobicContact CG-CD1 4.35Å; L191-L215 VanDerWaalsContact O-CA 3.28Å; L191-L215 WeakPolarHBondContact O-CA 2.87Å; L191-L215 PolarHBondContact O-N 3.16Å
192	T	98.7	Very high	94.8	Very high	39 Å²	39	35.7 Å²	35.7	24%	0.239	20%	0.199	C	C	.	.			trans	-102	-28.2	179	63.5	0	0	0	0	112	E168 T190 L216 T217	E168-T192 PolarHBondContact O-N 3.12Å; E168-T192 PolarHBondContact O-OG1 3.04Å; E168-T192 VanDerWaalsContact O-OG1 3.1Å; T190-T192 PolarHBondContact O-N 2.82Å; T192-L216 HydrophobicContact CG2-CD1 4.39Å; T192-L216 WeakPolarHBondContact O-CA 3.45Å; T192-L216 PolarHBondContact O-N 3.44Å; T192-T217 PolarHBondContact O-N 3.3Å
193	T	98.8	Very high	94.9	Very high	39 Å²	39	35.1 Å²	35.1	24%	0.239	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	121.5	-175.8	-58.3	0	0	0	0	111.5	E168 A169 L170 L195 T217	E168-T193 PolarHBondContact O-N 2.86Å; A169-T193 WeakPolarHBondContact CA-O 3.44Å; L170-T193 PolarHBondContact N-O 2.93Å; T193-L195 HydrophobicContact CG2-CD2 3.82Å; T193-L195 HydrophobicContact CG2-CG 4.09Å; T193-T217 HydrophobicContact CG2-CG2 4.47Å
194	L	98.7	Very high	95.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	115.8	174.6	178.6	58.1	0	0	0	110.4	L170 F185 L191 L196 F209 L212 L215 T217 L218 D219	L170-L194 HydrophobicContact CB-CD1 4.13Å; L170-L194 HydrophobicContact CD2-CD1 4.02Å; L170-L194 HydrophobicContact CG-CD1 4.1Å; F185-L194 HydrophobicContact CE1-CD1 4.04Å; F185-L194 HydrophobicContact CE1-CD2 4.1Å; F185-L194 HydrophobicContact CE2-CD2 4.1Å; F185-L194 HydrophobicContact CZ-CD1 4.34Å; F185-L194 HydrophobicContact CZ-CD2 3.85Å; L191-L194 HydrophobicContact CD2-CB 4.1Å; L191-L194 HydrophobicContact CD2-CD1 4.42Å; L194-L196 HydrophobicContact CD1-CD1 4.35Å; L194-L196 HydrophobicContact CD1-CG 4.17Å; L194-L196 HydrophobicContact CD2-CD1 3.82Å; L194-L196 HydrophobicContact CG-CD1 3.95Å; L194-L196 HydrophobicContact CG-CG 4.11Å; L194-F209 HydrophobicContact CD2-CD1 4.13Å; L194-F209 HydrophobicContact CD2-CE1 4.09Å; L194-L212 HydrophobicContact CD2-CD1 3.71Å; L194-L215 HydrophobicContact CB-CD1 3.78Å; L194-T217 PolarHBondContact N-O 3.26Å; L194-L218 HydrophobicContact CB-CD1 4.17Å; L194-L218 HydrophobicContact CD2-CD1 4.01Å; L194-L218 HydrophobicContact CG-CD1 4.1Å; L194-D219 PolarHBondContact O-N 1.98Å
195	L	98.8	Very high	94.9	Very high	29 Å²	29	36.9 Å²	36.9	15%	0.152	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	109.8	179	-49.6	-176.9	0	0	0	110.3	L170 R171 L172 T173 T193 D219	L170-L195 PolarHBondContact O-N 3.44Å; R171-L195 HydrophobicContact CB-CD1 4.45Å; R171-L195 HydrophobicContact CG-CD1 3.97Å; L172-L195 CarbonylContact C-O 3.1Å; L172-L195 WeakPolarHBondContact CA-O 3.3Å; L172-L195 PolarHBondContact N-O 2.89Å; T173-L195 PolarHBondContact N-O 3.49Å; T193-L195 HydrophobicContact CG2-CD2 3.82Å; T193-L195 HydrophobicContact CG2-CG 4.09Å; L195-D219 HydrophobicContact CD2-CB 3.68Å
196	L	98.6	Very high	94.8	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.215	C	C	.	.			trans	-118.2	13.2	179.1	-76.8	165	0	0	0	111.8	L172 L177 I180 F185 L194 N199 L201 F209 D219 L220 N223	L172-L196 HydrophobicContact CB-CD2 3.88Å; L172-L196 HydrophobicContact CD1-CD2 3.92Å; L177-L196 HydrophobicContact CD1-CD2 3.79Å; I180-L196 HydrophobicContact CD1-CD1 3.87Å; F185-L196 HydrophobicContact CZ-CD1 4.24Å; L194-L196 HydrophobicContact CD1-CD1 4.35Å; L194-L196 HydrophobicContact CD1-CG 4.17Å; L194-L196 HydrophobicContact CD2-CD1 3.82Å; L194-L196 HydrophobicContact CG-CD1 3.95Å; L194-L196 HydrophobicContact CG-CG 4.11Å; L196-N199 WeakPolarHBondContact O-CB 3.4Å; L196-N199 PolarHBondContact O-ND2 2.87Å; L196-L201 HydrophobicContact CB-CD1 4.4Å; L196-F209 HydrophobicContact CD1-CE1 4.11Å; L196-D219 CarbonylContact C-O 3.21Å; L196-D219 WeakPolarHBondContact CA-O 3.34Å; L196-D219 PolarHBondContact N-O 2.69Å; L196-L220 HydrophobicContact CB-CD2 3.83Å; L196-L220 HydrophobicContact CD1-CD2 3.96Å; L196-N223 PolarHBondContact O-ND2 3.35Å
197	N	98.8	Very high	94.6	Very high	23 Å²	23	39.7 Å²	39.7	12%	0.123	21%	0.214	C	C	.	.			trans	-66.9	158.9	-178.4	61.6	-43.9	0	0	0	113.1	T173 G174 N199 D219 S221	T173-N197 CarbonylContact C-O 3.26Å; T173-N197 WeakPolarHBondContact CA-O 3.3Å; T173-N197 WeakPolarHBondContact CB-OD1 3.25Å; T173-N197 VanDerWaalsContact CG2-OD1 3.26Å; T173-N197 WeakPolarHBondContact CG2-OD1 3.44Å; T173-N197 PolarHBondContact OG1-OD1 3.31Å; G174-N197 PolarHBondContact N-O 3.25Å; N197-N199 VanDerWaalsContact C-N 3.3Å; N197-N199 PolarHBondContact O-N 2.82Å; N197-N199 PolarHBondContact O-ND2 2.89Å; N197-D219 WeakPolarHBondContact CB-OD1 3.26Å; N197-D219 PolarHBondContact N-O 3.1Å; N197-D219 VanDerWaalsContact N-O 3.12Å; N197-S221 CarbonylContact C-O 3.51Å; N197-S221 WeakPolarHBondContact CA-O 3.48Å; N197-S221 WeakPolarHBondContact CB-O 3.34Å; N197-S221 WeakPolarHBondContact CB-OG 3.29Å
198	R	98.8	Very high	94.7	Very high	112 Å²	112	38.5 Å²	38.5	42%	0.423	20%	0.2	S	C	.	.	S	Bend	trans	56.8	39.8	-176.6	-61.9	173.1	61.3	-143.1	-10.9	113	D150 T173 G174 S221 R222	D150-R198 IonicContact OD1-CZ 3.62Å; D150-R198 IonicContact OD1-NH1 3.16Å; D150-R198 PolarHBondContact OD1-NH1 2.7Å; D150-R198 IonicContact OD1-NH2 3.93Å; D150-R198 PolarHBondContact OD1-NH2 2.99Å; D150-R198 IonicContact OD2-NH1 3.69Å; D150-R198 PolarHBondContact OD2-NH1 3.5Å; T173-R198 HydrophobicContact CG2-CB 4.39Å; G174-R198 CarbonylContact C-O 3.5Å; G174-R198 WeakPolarHBondContact CA-O 3.3Å; G174-R198 PolarHBondContact N-O 2.92Å; R198-S221 PolarHBondContact N-O 2.65Å; R198-R222 WeakPolarHBondContact CA-O 3.26Å; R198-R222 HydrophobicContact CG-CB 3.94Å; R198-R222 HydrophobicContact CG-CG 4.48Å; R198-R222 PolarHBondContact N-O 3.36Å
199	N	98.3	Very high	94.7	Very high	11 Å²	11	38.5 Å²	38.5	6%	0.059	20%	0.2	C	C	.	.	S	Bend	trans	-109.2	-162.4	172.3	-86.1	-80.4	0	0	0	110.5	L172 N175 R176 L177 L196 N197 L201 N223	L172-N199 PolarHBondContact O-ND2 2.91Å; N175-N199 VanDerWaalsContact CA-OD1 3.26Å; N175-N199 WeakPolarHBondContact CA-OD1 3.1Å; N175-N199 WeakPolarHBondContact CB-OD1 3.07Å; N175-N199 PolarHBondContact N-OD1 3.04Å; N175-N199 PolarHBondContact O-OD1 3.19Å; R176-N199 PolarHBondContact N-OD1 2.8Å; L177-N199 HydrophobicContact CB-CB 4.37Å; L177-N199 WeakPolarHBondContact CB-OD1 3.3Å; L177-N199 PolarHBondContact N-OD1 2.59Å; L177-N199 VanDerWaalsContact N-OD1 3.16Å; L196-N199 WeakPolarHBondContact O-CB 3.4Å; L196-N199 PolarHBondContact O-ND2 2.87Å; N197-N199 VanDerWaalsContact C-N 3.3Å; N197-N199 PolarHBondContact O-N 2.82Å; N197-N199 PolarHBondContact O-ND2 2.89Å; N199-L201 HydrophobicContact CB-CG 4.28Å; N199-N223 WeakPolarHBondContact CA-OD1 3.29Å; N199-N223 WeakPolarHBondContact CB-OD1 3.49Å; N199-N223 PolarHBondContact N-OD1 3.5Å; N199-N223 PolarHBondContact O-OD1 3.03Å
200	Q	97.1	Very high	94.8	Very high	80 Å²	80	39.1 Å²	39.1	37%	0.374	20%	0.199	S	C	.	.			trans	-120.1	26.8	-178.6	-56	-177.8	49	0	0	112.1	L177 T202 N223	L177-Q200 CarbonylContact O-C 3.47Å; L177-Q200 VanDerWaalsContact O-CA 3.25Å; L177-Q200 WeakPolarHBondContact O-CA 3.4Å; L177-Q200 WeakPolarHBondContact O-CB 3.42Å; L177-Q200 PolarHBondContact O-N 3.15Å; Q200-T202 PolarHBondContact O-N 3.03Å; Q200-N223 PolarHBondContact N-OD1 2.9Å
201	L	96.2	Very high	94.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.197	C	C	.	.			trans	-63.7	133.5	-177.6	-59.3	176.1	0	0	0	110.7	L177 F179 I180 L196 N199 L220 N223 K224 I225	L177-L201 HydrophobicContact CB-CD2 4.14Å; L177-L201 PolarHBondContact O-N 2.99Å; F179-L201 WeakPolarHBondContact O-CD2 3.3Å; I180-L201 HydrophobicContact CD1-CD1 3.88Å; I180-L201 HydrophobicContact CG1-CD1 4.03Å; I180-L201 HydrophobicContact CG1-CD2 3.81Å; L196-L201 HydrophobicContact CB-CD1 4.4Å; N199-L201 HydrophobicContact CB-CG 4.28Å; L201-L220 HydrophobicContact CD1-CD2 3.69Å; L201-N223 HydrophobicContact CB-CB 4.12Å; L201-N223 WeakPolarHBondContact CB-OD1 3.34Å; L201-N223 WeakPolarHBondContact CG-OD1 3.29Å; L201-N223 PolarHBondContact N-OD1 3.04Å; L201-K224 CarbonylContact O-C 3.6Å; L201-K224 WeakPolarHBondContact O-CA 3.09Å; L201-K224 WeakPolarHBondContact O-CB 3.24Å; L201-K224 PolarHBondContact O-N 3.05Å; L201-I225 HydrophobicContact CB-CD1 4.43Å; L201-I225 HydrophobicContact CB-CG1 4.09Å; L201-I225 PolarHBondContact O-N 2.91Å; L201-I225 VanDerWaalsContact O-N 3.11Å
202	T	89.3	Confident	94.4	Very high	55 Å²	55	38.6 Å²	38.6	34%	0.337	20%	0.197	S	C	.	.			trans	-111.6	-34.5	-174.5	52.4	0	0	0	0	114.4	A178 Q200 K224 I225 F226	A178-T202 PolarHBondContact O-N 3.01Å; A178-T202 PolarHBondContact O-OG1 3.35Å; Q200-T202 PolarHBondContact O-N 3.03Å; T202-K224 WeakPolarHBondContact CA-O 3.4Å; T202-K224 HydrophobicContact CG2-CB 4.28Å; T202-I225 VanDerWaalsContact O-CA 3.3Å; T202-I225 WeakPolarHBondContact O-CA 3.33Å; T202-F226 WeakPolarHBondContact O-CD1 3.47Å; T202-F226 WeakPolarHBondContact O-CE1 3.44Å; T202-F226 PolarHBondContact O-N 3.42Å
203	I	86.8	Confident	94.2	Very high	55 Å²	55	39.2 Å²	39.2	28%	0.282	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	143.5	-179.6	-175.2	165.9	0	0	0	109.5	T205 H227	I203-T205 HydrophobicContact CD1-CG2 4.33Å; I203-T205 HydrophobicContact CG1-CG2 4.2Å; I203-T205 HydrophobicContact CG2-CG2 4.19Å; I203-H227 HydrophobicContact CD1-CB 4.33Å; I203-H227 HydrophobicContact CG1-CB 4.22Å
204	L	92	Very high	94.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	118.4	164.1	-55.1	-178.1	0	0	0	108.5	I180 L220 I225 H227 V228 H229 A232 F233 L244	I180-L204 HydrophobicContact CD1-CD2 3.99Å; L204-L220 HydrophobicContact CD1-CD1 3.79Å; L204-L220 HydrophobicContact CD2-CD1 4.36Å; L204-I225 HydrophobicContact CD1-CD1 4.27Å; L204-I225 HydrophobicContact CD2-CD1 4.01Å; L204-I225 HydrophobicContact CG-CD1 4.12Å; L204-I225 HydrophobicContact CG-CG2 4.19Å; L204-H227 PolarHBondContact N-O 2.78Å; L204-V228 HydrophobicContact CB-CG1 4.24Å; L204-V228 HydrophobicContact CB-CG2 4.4Å; L204-V228 HydrophobicContact CD1-CG1 4.13Å; L204-V228 HydrophobicContact CD1-CG2 3.89Å; L204-V228 HydrophobicContact CG-CG2 4.27Å; L204-H229 WeakPolarHBondContact O-CB 3.01Å; L204-H229 PolarHBondContact O-N 2.76Å; L204-A232 HydrophobicContact CB-CB 3.89Å; L204-F233 HydrophobicContact CD1-CE1 3.89Å; L204-F233 HydrophobicContact CD1-CZ 3.92Å; L204-L244 HydrophobicContact CD1-CD2 4.48Å
205	T	87.3	Confident	94.1	Very high	60 Å²	60	40.8 Å²	40.8	37%	0.368	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-97.4	174	179	61.4	0	0	0	0	110.3	I203 N208 A232	I203-T205 HydrophobicContact CD1-CG2 4.33Å; I203-T205 HydrophobicContact CG1-CG2 4.2Å; I203-T205 HydrophobicContact CG2-CG2 4.19Å; T205-N208 PolarHBondContact N-OD1 2.7Å; T205-N208 VanDerWaalsContact O-CG 3.28Å; T205-N208 PolarHBondContact O-ND2 3.16Å; T205-N208 PolarHBondContact O-OD1 3.36Å; T205-N208 PolarHBondContact OG1-ND2 2.72Å; T205-A232 VanDerWaalsContact O-CA 3.27Å; T205-A232 WeakPolarHBondContact O-CA 3.46Å; T205-A232 WeakPolarHBondContact O-CB 3.39Å
206	S	90	Very high	94.1	Very high	52 Å²	52	42.9 Å²	42.9	36%	0.364	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	146.7	178.6	54.9	0	0	0	0	112.4	N208	S206-N208 PolarHBondContact O-N 2.92Å; S206-N208 PolarHBondContact O-ND2 3.25Å
207	D	87.5	Confident	94.2	Very high	50 Å²	50	44.5 Å²	44.5	27%	0.267	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	14.6	168.4	-54.8	-57.1	0	0	0	116.3	S182 F209 R210 N231	S182-D207 WeakPolarHBondContact CB-O 3.49Å; D207-F209 PolarHBondContact O-N 3.4Å; D207-R210 HydrophobicContact CB-CB 4Å; D207-R210 WeakPolarHBondContact O-CB 3.34Å; D207-R210 PolarHBondContact O-N 2.84Å; D207-R210 VanDerWaalsContact O-N 3.16Å; D207-N231 PolarHBondContact N-O 2.91Å; D207-N231 VanDerWaalsContact N-O 3.11Å
208	N	89.7	Confident	94.2	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.021	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-32.4	-179.9	-76.2	175.5	0	0	0	113.4	I180 T205 S206	I180-N208 HydrophobicContact CB-CB 4.25Å; I180-N208 HydrophobicContact CG2-CB 3.9Å; T205-N208 PolarHBondContact N-OD1 2.7Å; T205-N208 VanDerWaalsContact O-CG 3.28Å; T205-N208 PolarHBondContact O-ND2 3.16Å; T205-N208 PolarHBondContact O-OD1 3.36Å; T205-N208 PolarHBondContact OG1-ND2 2.72Å; S206-N208 PolarHBondContact O-N 2.92Å; S206-N208 PolarHBondContact O-ND2 3.25Å
209	F	95.7	Very high	94.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.1	14.9	-176.5	-50.6	-72.4	0	0	0	113.5	I180 F185 L194 L196 D207 S211 L212 L218 L220 F233 I236	I180-F209 HydrophobicContact CD1-CE1 3.68Å; I180-F209 HydrophobicContact CD1-CE2 4.41Å; I180-F209 HydrophobicContact CD1-CZ 3.38Å; F185-F209 HydrophobicContact CE2-CD1 4.31Å; F185-F209 HydrophobicContact CE2-CE1 4.37Å; L194-F209 HydrophobicContact CD2-CD1 4.13Å; L194-F209 HydrophobicContact CD2-CE1 4.09Å; L196-F209 HydrophobicContact CD1-CE1 4.11Å; D207-F209 PolarHBondContact O-N 3.4Å; F209-S211 PolarHBondContact O-N 3.4Å; F209-L212 HydrophobicContact CB-CD1 4.27Å; F209-L212 HydrophobicContact CD1-CD1 4.12Å; F209-L212 WeakPolarHBondContact O-CB 3.31Å; F209-L212 PolarHBondContact O-N 3.2Å; F209-L218 HydrophobicContact CD1-CD2 4.41Å; F209-L218 HydrophobicContact CD2-CD2 4.13Å; F209-L218 HydrophobicContact CE1-CD1 3.98Å; F209-L218 HydrophobicContact CE1-CD2 4.13Å; F209-L218 HydrophobicContact CE2-CD2 3.84Å; F209-L218 HydrophobicContact CG-CD2 4.4Å; F209-L218 HydrophobicContact CZ-CD1 4.23Å; F209-L218 HydrophobicContact CZ-CD2 3.83Å; F209-L220 HydrophobicContact CZ-CD1 4.16Å; F209-L220 HydrophobicContact CZ-CD2 4.33Å; F209-F233 HydrophobicContact CD2-CD1 4.1Å; F209-F233 HydrophobicContact CE2-CD1 4.14Å; F209-F233 HydrophobicContact CE2-CE1 4.15Å; F209-I236 HydrophobicContact CB-CD1 4.11Å; F209-I236 HydrophobicContact CB-CG1 4.49Å; F209-I236 HydrophobicContact CB-CG2 3.59Å; F209-I236 HydrophobicContact CD2-CD1 4.21Å; F209-I236 HydrophobicContact CG-CD1 4.34Å; F209-I236 VanDerWaalsContact O-CG2 3.31Å; F209-I236 WeakPolarHBondContact O-CG2 3.47Å
210	R	93.6	Very high	94.2	Very high	163 Å²	163	38 Å²	38	62%	0.615	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-31.3	-167.3	-177.3	173.8	178.6	178.7	-0.7	114.9	D207 L212 A234	D207-R210 HydrophobicContact CB-CB 4Å; D207-R210 WeakPolarHBondContact O-CB 3.34Å; D207-R210 PolarHBondContact O-N 2.84Å; D207-R210 VanDerWaalsContact O-N 3.16Å; R210-L212 VanDerWaalsContact C-N 3.33Å; R210-A234 VanDerWaalsContact CA-O 3.31Å; R210-A234 WeakPolarHBondContact CA-O 3.33Å
211	S	91.9	Very high	94.3	Very high	39 Å²	39	34.7 Å²	34.7	27%	0.273	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-12.3	-179	51.3	0	0	0	0	114.5	F185 F209 S213	F185-S211 WeakPolarHBondContact O-CB 3.48Å; F185-S211 PolarHBondContact O-OG 2.86Å; F209-S211 PolarHBondContact O-N 3.4Å; S211-S213 PolarHBondContact O-N 2.82Å
212	L	96	Very high	94.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.214	C	C	.	.			trans	-93	57.4	-169.9	-60.2	178.7	0	0	0	112.5	F185 L188 L191 L194 F209 R210 E214 L215 I236	F185-L212 HydrophobicContact CB-CD1 4.2Å; F185-L212 HydrophobicContact CB-CD2 3.8Å; F185-L212 HydrophobicContact CB-CG 4.04Å; F185-L212 HydrophobicContact CD2-CD1 4.19Å; F185-L212 HydrophobicContact CG-CD1 4.16Å; F185-L212 HydrophobicContact CG-CD2 4.49Å; L188-L212 HydrophobicContact CB-CD2 3.8Å; L191-L212 HydrophobicContact CB-CD2 4.08Å; L191-L212 HydrophobicContact CD2-CD1 4.26Å; L191-L212 HydrophobicContact CD2-CD2 3.71Å; L194-L212 HydrophobicContact CD2-CD1 3.71Å; F209-L212 HydrophobicContact CB-CD1 4.27Å; F209-L212 HydrophobicContact CD1-CD1 4.12Å; F209-L212 WeakPolarHBondContact O-CB 3.31Å; F209-L212 PolarHBondContact O-N 3.2Å; R210-L212 VanDerWaalsContact C-N 3.33Å; L212-E214 PolarHBondContact O-N 3.04Å; L212-E214 VanDerWaalsContact O-N 3.08Å; L212-L215 HydrophobicContact CB-CB 4.03Å; L212-L215 HydrophobicContact CB-CD2 4.38Å; L212-L215 HydrophobicContact CD1-CD1 4.45Å; L212-L215 HydrophobicContact CD1-CD2 4.05Å; L212-L215 VanDerWaalsContact O-CB 3.31Å; L212-L215 WeakPolarHBondContact O-CB 3.09Å; L212-L215 PolarHBondContact O-N 3.47Å; L212-I236 HydrophobicContact CB-CG2 3.94Å; L212-I236 WeakPolarHBondContact O-CG2 3.29Å
213	S	95	Very high	94.8	Very high	52 Å²	52	39.7 Å²	39.7	36%	0.364	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-21.6	-170.3	55.1	0	0	0	0	115.6	S211 K238	S211-S213 PolarHBondContact O-N 2.82Å; S213-K238 WeakPolarHBondContact O-CD 3.35Å
214	E	97.4	Very high	95.2	Very high	71 Å²	71	42.6 Å²	42.6	33%	0.332	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	6.3	179.5	-60.5	-55.6	130.4	0	0	113.7	K189 L191 L212 L216 K238	K189-E214 WeakPolarHBondContact O-CG 3.34Å; L191-E214 CarbonylContact O-C 3.24Å; L191-E214 VanDerWaalsContact O-C 3.29Å; L212-E214 PolarHBondContact O-N 3.04Å; L212-E214 VanDerWaalsContact O-N 3.08Å; E214-L216 PolarHBondContact O-N 3.44Å; E214-K238 IonicContact OE1-NZ 2.88Å; E214-K238 PolarHBondContact OE1-NZ 2.82Å; E214-K238 IonicContact OE2-NZ 3.91Å; E214-K238 PolarHBondContact OE2-NZ 3.33Å
215	L	98.3	Very high	95.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.211	C	C	.	.			trans	-64.9	126.4	-175.7	-162.3	71	0	0	0	111.4	L191 L194 L212 L218 I236 K238 L239	L191-L215 HydrophobicContact CD2-CD1 4.23Å; L191-L215 HydrophobicContact CG-CD1 4.35Å; L191-L215 VanDerWaalsContact O-CA 3.28Å; L191-L215 WeakPolarHBondContact O-CA 2.87Å; L191-L215 PolarHBondContact O-N 3.16Å; L194-L215 HydrophobicContact CB-CD1 3.78Å; L212-L215 HydrophobicContact CB-CB 4.03Å; L212-L215 HydrophobicContact CB-CD2 4.38Å; L212-L215 HydrophobicContact CD1-CD1 4.45Å; L212-L215 HydrophobicContact CD1-CD2 4.05Å; L212-L215 VanDerWaalsContact O-CB 3.31Å; L212-L215 WeakPolarHBondContact O-CB 3.09Å; L212-L215 PolarHBondContact O-N 3.47Å; L215-L218 HydrophobicContact CD2-CB 4.06Å; L215-L218 HydrophobicContact CD2-CD1 4.42Å; L215-L218 HydrophobicContact CD2-CD2 4.46Å; L215-I236 HydrophobicContact CB-CB 4.5Å; L215-I236 HydrophobicContact CB-CG2 4.12Å; L215-I236 HydrophobicContact CD2-CD1 4.44Å; L215-I236 HydrophobicContact CD2-CG2 4.05Å; L215-K238 CarbonylContact O-C 3.52Å; L215-L239 HydrophobicContact CB-CD1 4.45Å; L215-L239 HydrophobicContact CD2-CD1 4.01Å; L215-L239 HydrophobicContact CG-CD1 3.98Å; L215-L239 VanDerWaalsContact O-CA 3.23Å; L215-L239 WeakPolarHBondContact O-CA 3.46Å; L215-L239 PolarHBondContact O-N 3.36Å
216	L	98.7	Very high	95.6	Very high	74 Å²	74	45.3 Å²	45.3	39%	0.387	22%	0.218	S	C	.	.			trans	-108.6	-38.6	178.6	-59.2	-178.4	0	0	0	111.7	T192 E214 K238 L239 D240 S241	T192-L216 HydrophobicContact CG2-CD1 4.39Å; T192-L216 WeakPolarHBondContact O-CA 3.45Å; T192-L216 PolarHBondContact O-N 3.44Å; E214-L216 PolarHBondContact O-N 3.44Å; L216-K238 HydrophobicContact CD2-CB 4.28Å; L216-K238 WeakPolarHBondContact CD2-O 3.14Å; L216-L239 WeakPolarHBondContact O-CD1 3.32Å; L216-D240 WeakPolarHBondContact O-CA 3.3Å; L216-D240 PolarHBondContact O-N 3.25Å; L216-S241 PolarHBondContact O-N 3.21Å
217	T	98.8	Very high	95.6	Very high	34 Å²	34	46.7 Å²	46.7	21%	0.209	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	124.5	-178.3	-60.3	0	0	0	0	111.1	T192 T193 L194	T192-T217 PolarHBondContact O-N 3.3Å; T193-T217 HydrophobicContact CG2-CG2 4.47Å; L194-T217 PolarHBondContact N-O 3.26Å
218	L	98.8	Very high	95.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	114.6	174.4	178.4	57	0	0	0	110	L194 F209 L215 L220 F233 I236 L239 S241 L242 R243	L194-L218 HydrophobicContact CB-CD1 4.17Å; L194-L218 HydrophobicContact CD2-CD1 4.01Å; L194-L218 HydrophobicContact CG-CD1 4.1Å; F209-L218 HydrophobicContact CD1-CD2 4.41Å; F209-L218 HydrophobicContact CD2-CD2 4.13Å; F209-L218 HydrophobicContact CE1-CD1 3.98Å; F209-L218 HydrophobicContact CE1-CD2 4.13Å; F209-L218 HydrophobicContact CE2-CD2 3.84Å; F209-L218 HydrophobicContact CG-CD2 4.4Å; F209-L218 HydrophobicContact CZ-CD1 4.23Å; F209-L218 HydrophobicContact CZ-CD2 3.83Å; L215-L218 HydrophobicContact CD2-CB 4.06Å; L215-L218 HydrophobicContact CD2-CD1 4.42Å; L215-L218 HydrophobicContact CD2-CD2 4.46Å; L218-L220 HydrophobicContact CD1-CD1 4.36Å; L218-L220 HydrophobicContact CD1-CD2 4.45Å; L218-L220 HydrophobicContact CD1-CG 4.09Å; L218-L220 HydrophobicContact CD2-CD1 3.87Å; L218-L220 HydrophobicContact CD2-CG 4.46Å; L218-L220 HydrophobicContact CG-CD1 3.96Å; L218-L220 HydrophobicContact CG-CG 4.03Å; L218-F233 HydrophobicContact CD2-CD1 4.46Å; L218-F233 HydrophobicContact CD2-CE1 4.27Å; L218-I236 HydrophobicContact CD2-CD1 4.05Å; L218-L239 HydrophobicContact CB-CD1 3.74Å; L218-L239 HydrophobicContact CB-CD2 4.31Å; L218-S241 PolarHBondContact N-O 2.95Å; L218-L242 HydrophobicContact CB-CD1 4.21Å; L218-L242 HydrophobicContact CD2-CD1 3.99Å; L218-L242 HydrophobicContact CG-CD1 4.12Å; L218-R243 PolarHBondContact O-N 2.85Å
219	D	98.9	Very high	96	Very high	10 Å²	10	48.1 Å²	48.1	5%	0.053	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	109.2	177.2	-160	-24.8	0	0	0	111.4	L194 L195 L196 N197 S221 R243	L194-D219 PolarHBondContact O-N 1.98Å; L195-D219 HydrophobicContact CD2-CB 3.68Å; L196-D219 CarbonylContact C-O 3.21Å; L196-D219 WeakPolarHBondContact CA-O 3.34Å; L196-D219 PolarHBondContact N-O 2.69Å; N197-D219 WeakPolarHBondContact CB-OD1 3.26Å; N197-D219 PolarHBondContact N-O 3.1Å; N197-D219 VanDerWaalsContact N-O 3.12Å; D219-S221 WeakPolarHBondContact OD1-CB 3.42Å; D219-S221 PolarHBondContact OD1-N 3.08Å; D219-S221 PolarHBondContact OD1-OG 3.17Å; D219-R243 HydrophobicContact CB-CB 4.44Å; D219-R243 VanDerWaalsContact OD2-CD 3.29Å; D219-R243 WeakPolarHBondContact OD2-CD 3.41Å; D219-R243 IonicContact OD2-NH1 3.83Å; D219-R243 PolarHBondContact OD2-NH1 3.42Å
220	L	98.8	Very high	95.8	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	24%	0.244	C	C	.	.			trans	-114	15.4	177.3	-68.4	164.4	0	0	0	111.3	I180 L196 L201 L204 F209 L218 N223 I225 F233 L242 R243 L244 N247	I180-L220 HydrophobicContact CD1-CD2 4.17Å; L196-L220 HydrophobicContact CB-CD2 3.83Å; L196-L220 HydrophobicContact CD1-CD2 3.96Å; L201-L220 HydrophobicContact CD1-CD2 3.69Å; L204-L220 HydrophobicContact CD1-CD1 3.79Å; L204-L220 HydrophobicContact CD2-CD1 4.36Å; F209-L220 HydrophobicContact CZ-CD1 4.16Å; F209-L220 HydrophobicContact CZ-CD2 4.33Å; L218-L220 HydrophobicContact CD1-CD1 4.36Å; L218-L220 HydrophobicContact CD1-CD2 4.45Å; L218-L220 HydrophobicContact CD1-CG 4.09Å; L218-L220 HydrophobicContact CD2-CD1 3.87Å; L218-L220 HydrophobicContact CD2-CG 4.46Å; L218-L220 HydrophobicContact CG-CD1 3.96Å; L218-L220 HydrophobicContact CG-CG 4.03Å; L220-N223 PolarHBondContact O-ND2 3.21Å; L220-I225 HydrophobicContact CB-CD1 4.11Å; L220-F233 HydrophobicContact CD1-CE1 4.49Å; L220-L242 HydrophobicContact CD1-CD1 4.47Å; L220-R243 CarbonylContact C-O 3.52Å; L220-R243 WeakPolarHBondContact CA-O 3.17Å; L220-R243 WeakPolarHBondContact CB-O 3.41Å; L220-R243 PolarHBondContact N-O 3.34Å; L220-L244 HydrophobicContact CB-CD2 3.91Å; L220-L244 HydrophobicContact CD1-CD2 4Å; L220-N247 PolarHBondContact O-ND2 2.98Å
221	S	98.9	Very high	95.8	Very high	9 Å²	9	46 Å²	46	6%	0.063	22%	0.223	C	C	.	.			trans	-63.5	157.2	-176.7	61.8	0	0	0	0	113.1	N197 R198 D219 N223 R243 S245	N197-S221 CarbonylContact C-O 3.51Å; N197-S221 WeakPolarHBondContact CA-O 3.48Å; N197-S221 WeakPolarHBondContact CB-O 3.34Å; N197-S221 WeakPolarHBondContact CB-OG 3.29Å; R198-S221 PolarHBondContact N-O 2.65Å; D219-S221 WeakPolarHBondContact OD1-CB 3.42Å; D219-S221 PolarHBondContact OD1-N 3.08Å; D219-S221 PolarHBondContact OD1-OG 3.17Å; S221-N223 VanDerWaalsContact C-N 3.35Å; S221-N223 PolarHBondContact O-N 3.39Å; S221-N223 PolarHBondContact O-ND2 2.84Å; S221-R243 PolarHBondContact N-O 2.88Å; S221-S245 CarbonylContact C-O 3.55Å; S221-S245 WeakPolarHBondContact CA-O 3.26Å; S221-S245 WeakPolarHBondContact CB-O 3.18Å; S221-S245 VanDerWaalsContact CB-OG 3.22Å; S221-S245 WeakPolarHBondContact CB-OG 3.23Å
222	R	98.7	Very high	95.9	Very high	150 Å²	150	44.2 Å²	44.2	57%	0.566	21%	0.21	S	C	*	.	S	Bend	trans	55	48.6	177.4	-59.2	175.9	177	163.7	-0.9	112.4	R198 S245 S246	R198-R222 WeakPolarHBondContact CA-O 3.26Å; R198-R222 HydrophobicContact CG-CB 3.94Å; R198-R222 HydrophobicContact CG-CG 4.48Å; R198-R222 PolarHBondContact N-O 3.36Å; R222-S245 PolarHBondContact N-O 2.76Å; R222-S246 VanDerWaalsContact CA-O 3.3Å; R222-S246 WeakPolarHBondContact CA-O 3.3Å; R222-S246 PolarHBondContact N-O 2.77Å
223	N	98.1	Very high	95.9	Very high	11 Å²	11	44.3 Å²	44.3	6%	0.059	21%	0.211	C	C	.	.	S	Bend	trans	-116.1	-164.1	171.8	-86.5	-77	0	0	0	109.3	L196 N199 Q200 L201 L220 S221 I225 N247	L196-N223 PolarHBondContact O-ND2 3.35Å; N199-N223 WeakPolarHBondContact CA-OD1 3.29Å; N199-N223 WeakPolarHBondContact CB-OD1 3.49Å; N199-N223 PolarHBondContact N-OD1 3.5Å; N199-N223 PolarHBondContact O-OD1 3.03Å; Q200-N223 PolarHBondContact N-OD1 2.9Å; L201-N223 HydrophobicContact CB-CB 4.12Å; L201-N223 WeakPolarHBondContact CB-OD1 3.34Å; L201-N223 WeakPolarHBondContact CG-OD1 3.29Å; L201-N223 PolarHBondContact N-OD1 3.04Å; L220-N223 PolarHBondContact O-ND2 3.21Å; S221-N223 VanDerWaalsContact C-N 3.35Å; S221-N223 PolarHBondContact O-N 3.39Å; S221-N223 PolarHBondContact O-ND2 2.84Å; N223-I225 HydrophobicContact CB-CD1 4.2Å; N223-I225 HydrophobicContact CB-CG1 4.04Å; N223-N247 WeakPolarHBondContact CA-OD1 3.48Å; N223-N247 WeakPolarHBondContact CB-OD1 3.29Å; N223-N247 PolarHBondContact N-OD1 3.33Å; N223-N247 PolarHBondContact O-OD1 3.26Å
224	K	95.9	Very high	95.9	Very high	115 Å²	115	42.8 Å²	42.8	50%	0.5	20%	0.201	S	C	.	.			trans	-119.3	31.4	178.1	-60.5	-179.8	-179.4	175.6	0	111.2	L201 T202 F226 N247 V248	L201-K224 CarbonylContact O-C 3.6Å; L201-K224 WeakPolarHBondContact O-CA 3.09Å; L201-K224 WeakPolarHBondContact O-CB 3.24Å; L201-K224 PolarHBondContact O-N 3.05Å; T202-K224 WeakPolarHBondContact CA-O 3.4Å; T202-K224 HydrophobicContact CG2-CB 4.28Å; K224-F226 PolarHBondContact O-N 3.29Å; K224-N247 PolarHBondContact N-OD1 3.25Å; K224-V248 VanDerWaalsContact O-CG2 3.3Å; K224-V248 WeakPolarHBondContact O-CG2 3.37Å
225	I	95.1	Very high	95.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.206	C	C	.	.			trans	-70.2	116	-173.3	-58.7	167.9	0	0	0	109.1	L201 T202 L204 L220 N223 V228 L244 N247 V248 L249	L201-I225 HydrophobicContact CB-CD1 4.43Å; L201-I225 HydrophobicContact CB-CG1 4.09Å; L201-I225 PolarHBondContact O-N 2.91Å; L201-I225 VanDerWaalsContact O-N 3.11Å; T202-I225 VanDerWaalsContact O-CA 3.3Å; T202-I225 WeakPolarHBondContact O-CA 3.33Å; L204-I225 HydrophobicContact CD1-CD1 4.27Å; L204-I225 HydrophobicContact CD2-CD1 4.01Å; L204-I225 HydrophobicContact CG-CD1 4.12Å; L204-I225 HydrophobicContact CG-CG2 4.19Å; L220-I225 HydrophobicContact CB-CD1 4.11Å; N223-I225 HydrophobicContact CB-CD1 4.2Å; N223-I225 HydrophobicContact CB-CG1 4.04Å; I225-V228 HydrophobicContact CG2-CG2 3.93Å; I225-L244 HydrophobicContact CD1-CD2 4.17Å; I225-N247 HydrophobicContact CB-CB 4.31Å; I225-N247 WeakPolarHBondContact CB-OD1 3.19Å; I225-N247 WeakPolarHBondContact CG1-OD1 3.4Å; I225-N247 PolarHBondContact N-OD1 2.77Å; I225-V248 CarbonylContact O-C 3.5Å; I225-V248 VanDerWaalsContact O-C 3.31Å; I225-V248 WeakPolarHBondContact O-CG2 3.42Å; I225-V248 PolarHBondContact O-N 3.11Å; I225-V248 VanDerWaalsContact O-N 3.08Å; I225-L249 HydrophobicContact CG2-CD2 4.05Å; I225-L249 PolarHBondContact O-N 2.81Å
226	F	91.7	Very high	95.6	Very high	117 Å²	117	41.4 Å²	41.4	51%	0.513	21%	0.206	S	C	.	.			trans	-104.8	-19	176.1	71.7	-90.6	0	0	0	112.9	T202 K224 V248	T202-F226 WeakPolarHBondContact O-CD1 3.47Å; T202-F226 WeakPolarHBondContact O-CE1 3.44Å; T202-F226 PolarHBondContact O-N 3.42Å; K224-F226 PolarHBondContact O-N 3.29Å; F226-V248 HydrophobicContact CB-CG2 3.77Å
227	H	90.6	Very high	95.4	Very high	82 Å²	82	39.7 Å²	39.7	38%	0.38	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	140.1	-178.1	-178.9	-94.9	0	0	0	111.9	I203 L204	I203-H227 HydrophobicContact CD1-CB 4.33Å; I203-H227 HydrophobicContact CG1-CB 4.22Å; L204-H227 PolarHBondContact N-O 2.78Å
228	V	93.4	Very high	95.3	Very high	17 Å²	17	42.6 Å²	42.6	10%	0.103	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	115.2	175.1	179.8	0	0	0	0	108.1	L204 I225 A232 F233 L249 P253 A256	L204-V228 HydrophobicContact CB-CG1 4.24Å; L204-V228 HydrophobicContact CB-CG2 4.4Å; L204-V228 HydrophobicContact CD1-CG1 4.13Å; L204-V228 HydrophobicContact CD1-CG2 3.89Å; L204-V228 HydrophobicContact CG-CG2 4.27Å; I225-V228 HydrophobicContact CG2-CG2 3.93Å; V228-A232 HydrophobicContact CG1-CB 3.79Å; V228-F233 HydrophobicContact CG1-CE2 3.91Å; V228-F233 HydrophobicContact CG1-CZ 3.99Å; V228-L249 HydrophobicContact CG2-CD2 3.95Å; V228-P253 HydrophobicContact CB-CB 3.85Å; V228-P253 HydrophobicContact CG1-CB 4.15Å; V228-P253 HydrophobicContact CG2-CB 4.24Å; V228-A256 HydrophobicContact CG1-CB 3.84Å
229	H	91.2	Very high	95.3	Very high	67 Å²	67	42.6 Å²	42.6	31%	0.31	22%	0.216	S	C	.	.			trans	-62.4	146.5	176.3	-169.1	-87.9	0	0	0	111.3	L204 N231 A232	L204-H229 WeakPolarHBondContact O-CB 3.01Å; L204-H229 PolarHBondContact O-N 2.76Å; H229-N231 PolarHBondContact ND1-N 3.46Å; H229-N231 VanDerWaalsContact ND1-N 3.18Å; H229-N231 PolarHBondContact O-N 3.32Å; H229-A232 HydrophobicContact CB-CB 4.36Å; H229-A232 WeakPolarHBondContact O-CB 3.21Å; H229-A232 PolarHBondContact O-N 3.26Å
230	E	92.3	Very high	95.3	Very high	83 Å²	83	44.3 Å²	44.3	39%	0.388	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-30.2	-179.1	50.8	157	-138	0	0	114.2	Q255 A256 R259	E230-Q255 HydrophobicContact CB-CB 3.95Å; E230-A256 WeakPolarHBondContact O-CA 3.32Å; E230-R259 WeakPolarHBondContact O-CD 3.43Å; E230-R259 PolarHBondContact O-NE 3.26Å
231	N	93.5	Very high	95.3	Very high	36 Å²	36	44.9 Å²	44.9	19%	0.193	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	16.7	-179.7	-55.7	-35.7	0	0	0	112.9	D207 H229 F233 A234 R259	D207-N231 PolarHBondContact N-O 2.91Å; D207-N231 VanDerWaalsContact N-O 3.11Å; H229-N231 PolarHBondContact ND1-N 3.46Å; H229-N231 VanDerWaalsContact ND1-N 3.18Å; H229-N231 PolarHBondContact O-N 3.32Å; N231-F233 VanDerWaalsContact C-N 3.3Å; N231-F233 PolarHBondContact O-N 2.88Å; N231-A234 WeakPolarHBondContact O-CB 3.35Å; N231-A234 PolarHBondContact O-N 3.47Å; N231-R259 PolarHBondContact OD1-NE 2.76Å; N231-R259 PolarHBondContact OD1-NH2 3.36Å
232	A	93.3	Very high	95.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-35.8	-177.7	0	0	0	0	0	113.2	L204 T205 V228 H229	L204-A232 HydrophobicContact CB-CB 3.89Å; T205-A232 VanDerWaalsContact O-CA 3.27Å; T205-A232 WeakPolarHBondContact O-CA 3.46Å; T205-A232 WeakPolarHBondContact O-CB 3.39Å; V228-A232 HydrophobicContact CG1-CB 3.79Å; H229-A232 HydrophobicContact CB-CB 4.36Å; H229-A232 WeakPolarHBondContact O-CB 3.21Å; H229-A232 PolarHBondContact O-N 3.26Å
233	F	96.7	Very high	95.3	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.009	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	22	179.7	-52.4	-51.2	0	0	0	113.3	L204 F209 L218 L220 V228 N231 I236 L242 L244 A256 L260	L204-F233 HydrophobicContact CD1-CE1 3.89Å; L204-F233 HydrophobicContact CD1-CZ 3.92Å; F209-F233 HydrophobicContact CD2-CD1 4.1Å; F209-F233 HydrophobicContact CE2-CD1 4.14Å; F209-F233 HydrophobicContact CE2-CE1 4.15Å; L218-F233 HydrophobicContact CD2-CD1 4.46Å; L218-F233 HydrophobicContact CD2-CE1 4.27Å; L220-F233 HydrophobicContact CD1-CE1 4.49Å; V228-F233 HydrophobicContact CG1-CE2 3.91Å; V228-F233 HydrophobicContact CG1-CZ 3.99Å; N231-F233 VanDerWaalsContact C-N 3.3Å; N231-F233 PolarHBondContact O-N 2.88Å; F233-I236 HydrophobicContact CB-CD1 3.9Å; F233-I236 HydrophobicContact CB-CG1 3.91Å; F233-I236 HydrophobicContact CD1-CD1 3.85Å; F233-I236 HydrophobicContact CG-CD1 4.26Å; F233-I236 WeakPolarHBondContact O-CG1 3.48Å; F233-L242 HydrophobicContact CD2-CD2 4.47Å; F233-L242 HydrophobicContact CE1-CD1 4.2Å; F233-L242 HydrophobicContact CE1-CD2 4.39Å; F233-L242 HydrophobicContact CE2-CD2 3.8Å; F233-L242 HydrophobicContact CZ-CD1 4.21Å; F233-L242 HydrophobicContact CZ-CD2 3.76Å; F233-L244 HydrophobicContact CZ-CD1 4.43Å; F233-A256 HydrophobicContact CD2-CB 3.72Å; F233-A256 HydrophobicContact CE2-CB 3.87Å; F233-L260 HydrophobicContact CB-CD1 4.32Å; F233-L260 HydrophobicContact CB-CD2 3.75Å; F233-L260 HydrophobicContact CB-CG 4.11Å; F233-L260 HydrophobicContact CD2-CD1 3.87Å; F233-L260 HydrophobicContact CD2-CG 4.4Å; F233-L260 HydrophobicContact CE2-CD1 4.49Å; F233-L260 HydrophobicContact CG-CD1 4.19Å; F233-L260 HydrophobicContact CG-CD2 4.43Å
234	A	94.5	Very high	95.4	Very high	20 Å²	20	41.7 Å²	41.7	17%	0.165	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	138.3	172.5	0	0	0	0	0	110.5	R210 N231 I236	R210-A234 VanDerWaalsContact CA-O 3.31Å; R210-A234 WeakPolarHBondContact CA-O 3.33Å; N231-A234 WeakPolarHBondContact O-CB 3.35Å; N231-A234 PolarHBondContact O-N 3.47Å; A234-I236 PolarHBondContact O-N 2.79Å
235	G	93.7	Very high	95.5	Very high	42 Å²	42	37 Å²	37	43%	0.433	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.2	-22.5	179.5	0	0	0	0	0	115.6	G237	G235-G237 PolarHBondContact O-N 2.81Å
236	I	96.2	Very high	95.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.206	C	C	.	.			trans	-97.7	46.3	-179.8	59.4	171.9	0	0	0	112.8	F209 L212 L215 L218 F233 A234 K238 L239 L260	F209-I236 HydrophobicContact CB-CD1 4.11Å; F209-I236 HydrophobicContact CB-CG1 4.49Å; F209-I236 HydrophobicContact CB-CG2 3.59Å; F209-I236 HydrophobicContact CD2-CD1 4.21Å; F209-I236 HydrophobicContact CG-CD1 4.34Å; F209-I236 VanDerWaalsContact O-CG2 3.31Å; F209-I236 WeakPolarHBondContact O-CG2 3.47Å; L212-I236 HydrophobicContact CB-CG2 3.94Å; L212-I236 WeakPolarHBondContact O-CG2 3.29Å; L215-I236 HydrophobicContact CB-CB 4.5Å; L215-I236 HydrophobicContact CB-CG2 4.12Å; L215-I236 HydrophobicContact CD2-CD1 4.44Å; L215-I236 HydrophobicContact CD2-CG2 4.05Å; L218-I236 HydrophobicContact CD2-CD1 4.05Å; F233-I236 HydrophobicContact CB-CD1 3.9Å; F233-I236 HydrophobicContact CB-CG1 3.91Å; F233-I236 HydrophobicContact CD1-CD1 3.85Å; F233-I236 HydrophobicContact CG-CD1 4.26Å; F233-I236 WeakPolarHBondContact O-CG1 3.48Å; A234-I236 PolarHBondContact O-N 2.79Å; I236-K238 PolarHBondContact O-N 3.06Å; I236-K238 VanDerWaalsContact O-N 3.13Å; I236-L239 HydrophobicContact CD1-CD1 4.49Å; I236-L239 HydrophobicContact CD1-CD2 4.01Å; I236-L239 VanDerWaalsContact O-CB 3.31Å; I236-L239 WeakPolarHBondContact O-CB 3.23Å; I236-L239 PolarHBondContact O-N 3.28Å; I236-L239 VanDerWaalsContact O-N 3.11Å; I236-L260 HydrophobicContact CD1-CD2 4.38Å; I236-L260 HydrophobicContact CG1-CD2 3.99Å
237	G	94.7	Very high	96	Very high	38 Å²	38	33 Å²	33	39%	0.392	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-14.2	-175.6	0	0	0	0	0	115.5	G235 S262	G235-G237 PolarHBondContact O-N 2.81Å; G237-S262 VanDerWaalsContact O-CB 3.28Å; G237-S262 WeakPolarHBondContact O-CB 3.35Å; G237-S262 PolarHBondContact O-OG 3.38Å
238	K	97.3	Very high	96.3	Very high	96 Å²	96	32.3 Å²	32.3	42%	0.417	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-3	175.6	-69.5	-173.2	175.5	173.4	0	113.9	S213 E214 L215 L216 I236 D240	S213-K238 WeakPolarHBondContact O-CD 3.35Å; E214-K238 IonicContact OE1-NZ 2.88Å; E214-K238 PolarHBondContact OE1-NZ 2.82Å; E214-K238 IonicContact OE2-NZ 3.91Å; E214-K238 PolarHBondContact OE2-NZ 3.33Å; L215-K238 CarbonylContact O-C 3.52Å; L216-K238 HydrophobicContact CD2-CB 4.28Å; L216-K238 WeakPolarHBondContact CD2-O 3.14Å; I236-K238 PolarHBondContact O-N 3.06Å; I236-K238 VanDerWaalsContact O-N 3.13Å; K238-D240 PolarHBondContact O-N 3.18Å
239	L	98.5	Very high	96.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.181	C	C	.	.			trans	-56.8	126.1	-176.2	-164.3	76	0	0	0	110.9	L215 L216 L218 I236 L242 L260 S262 L263	L215-L239 HydrophobicContact CB-CD1 4.45Å; L215-L239 HydrophobicContact CD2-CD1 4.01Å; L215-L239 HydrophobicContact CG-CD1 3.98Å; L215-L239 VanDerWaalsContact O-CA 3.23Å; L215-L239 WeakPolarHBondContact O-CA 3.46Å; L215-L239 PolarHBondContact O-N 3.36Å; L216-L239 WeakPolarHBondContact O-CD1 3.32Å; L218-L239 HydrophobicContact CB-CD1 3.74Å; L218-L239 HydrophobicContact CB-CD2 4.31Å; I236-L239 HydrophobicContact CD1-CD1 4.49Å; I236-L239 HydrophobicContact CD1-CD2 4.01Å; I236-L239 VanDerWaalsContact O-CB 3.31Å; I236-L239 WeakPolarHBondContact O-CB 3.23Å; I236-L239 PolarHBondContact O-N 3.28Å; I236-L239 VanDerWaalsContact O-N 3.11Å; L239-L242 HydrophobicContact CD2-CB 3.89Å; L239-L242 HydrophobicContact CD2-CD1 4.19Å; L239-L242 HydrophobicContact CD2-CG 4.45Å; L239-L260 HydrophobicContact CB-CD2 4.01Å; L239-L260 HydrophobicContact CD2-CD1 4.04Å; L239-L260 HydrophobicContact CD2-CD2 4.1Å; L239-S262 CarbonylContact O-C 3.08Å; L239-S262 VanDerWaalsContact O-C 3.23Å; L239-L263 HydrophobicContact CD2-CD1 4.26Å; L239-L263 HydrophobicContact CG-CD1 4.47Å; L239-L263 WeakPolarHBondContact O-CA 3.28Å; L239-L263 PolarHBondContact O-N 3.18Å
240	D	98.7	Very high	96.5	Very high	45 Å²	45	32.2 Å²	32.2	24%	0.241	19%	0.189	C	C	.	.			trans	-99.3	-43.5	-179.2	-178.2	98.1	0	0	0	110.7	L216 K238 R264 S265	L216-D240 WeakPolarHBondContact O-CA 3.3Å; L216-D240 PolarHBondContact O-N 3.25Å; K238-D240 PolarHBondContact O-N 3.18Å; D240-R264 WeakPolarHBondContact O-CA 3.44Å; D240-R264 PolarHBondContact O-N 3.38Å; D240-R264 WeakPolarHBondContact OD1-CD 3.44Å; D240-R264 VanDerWaalsContact OD1-CG 3.28Å; D240-R264 WeakPolarHBondContact OD1-CG 3.4Å; D240-R264 IonicContact OD1-CZ 2.9Å; D240-R264 VanDerWaalsContact OD1-CZ 3.26Å; D240-R264 IonicContact OD1-NE 3.78Å; D240-R264 PolarHBondContact OD1-NE 2.9Å; D240-R264 IonicContact OD1-NH1 2.96Å; D240-R264 PolarHBondContact OD1-NH1 2.63Å; D240-S265 PolarHBondContact O-N 3.03Å
241	S	98.8	Very high	96.6	Very high	13 Å²	13	31.3 Å²	31.3	9%	0.091	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	125	-178	-170.9	0	0	0	0	112.3	L216 L218 S265	L216-S241 PolarHBondContact O-N 3.21Å; L218-S241 PolarHBondContact N-O 2.95Å; S241-S265 WeakPolarHBondContact CA-O 3.38Å
242	L	98.8	Very high	96.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	117.3	174.8	179	60.4	0	0	0	110.6	L218 L220 F233 L239 L244 L257 L260 L263 S265 V266 N267	L218-L242 HydrophobicContact CB-CD1 4.21Å; L218-L242 HydrophobicContact CD2-CD1 3.99Å; L218-L242 HydrophobicContact CG-CD1 4.12Å; L220-L242 HydrophobicContact CD1-CD1 4.47Å; F233-L242 HydrophobicContact CD2-CD2 4.47Å; F233-L242 HydrophobicContact CE1-CD1 4.2Å; F233-L242 HydrophobicContact CE1-CD2 4.39Å; F233-L242 HydrophobicContact CE2-CD2 3.8Å; F233-L242 HydrophobicContact CZ-CD1 4.21Å; F233-L242 HydrophobicContact CZ-CD2 3.76Å; L239-L242 HydrophobicContact CD2-CB 3.89Å; L239-L242 HydrophobicContact CD2-CD1 4.19Å; L239-L242 HydrophobicContact CD2-CG 4.45Å; L242-L244 HydrophobicContact CD1-CD1 4.45Å; L242-L244 HydrophobicContact CD1-CG 4.27Å; L242-L244 HydrophobicContact CD2-CD1 3.86Å; L242-L244 HydrophobicContact CG-CD1 4.06Å; L242-L244 HydrophobicContact CG-CG 4.18Å; L242-L257 HydrophobicContact CD2-CD2 3.72Å; L242-L260 HydrophobicContact CD2-CD1 3.94Å; L242-L263 HydrophobicContact CB-CD1 3.79Å; L242-S265 PolarHBondContact N-O 3.07Å; L242-V266 WeakPolarHBondContact O-CA 3.45Å; L242-N267 PolarHBondContact O-N 3.38Å
243	R	98.9	Very high	97	Very high	103 Å²	103	30.1 Å²	30.1	39%	0.389	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	116.6	176.1	-59.9	176.1	-177.3	155.3	2.1	110.9	L218 D219 L220 S221 N267	L218-R243 PolarHBondContact O-N 2.85Å; D219-R243 HydrophobicContact CB-CB 4.44Å; D219-R243 VanDerWaalsContact OD2-CD 3.29Å; D219-R243 WeakPolarHBondContact OD2-CD 3.41Å; D219-R243 IonicContact OD2-NH1 3.83Å; D219-R243 PolarHBondContact OD2-NH1 3.42Å; L220-R243 CarbonylContact C-O 3.52Å; L220-R243 WeakPolarHBondContact CA-O 3.17Å; L220-R243 WeakPolarHBondContact CB-O 3.41Å; L220-R243 PolarHBondContact N-O 3.34Å; S221-R243 PolarHBondContact N-O 2.88Å; R243-N267 HydrophobicContact CG-CB 4.34Å
244	L	98.8	Very high	97	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.19	C	C	.	.			trans	-122.3	16.9	177.4	-75.5	166.1	0	0	0	111.5	L204 L220 I225 F233 L242 N247 L249 P253 N267 L268 N271	L204-L244 HydrophobicContact CD1-CD2 4.48Å; L220-L244 HydrophobicContact CB-CD2 3.91Å; L220-L244 HydrophobicContact CD1-CD2 4Å; I225-L244 HydrophobicContact CD1-CD2 4.17Å; F233-L244 HydrophobicContact CZ-CD1 4.43Å; L242-L244 HydrophobicContact CD1-CD1 4.45Å; L242-L244 HydrophobicContact CD1-CG 4.27Å; L242-L244 HydrophobicContact CD2-CD1 3.86Å; L242-L244 HydrophobicContact CG-CD1 4.06Å; L242-L244 HydrophobicContact CG-CG 4.18Å; L244-N247 PolarHBondContact O-ND2 2.9Å; L244-L249 HydrophobicContact CB-CD1 4.28Å; L244-L249 HydrophobicContact CD1-CD1 4.38Å; L244-P253 HydrophobicContact CD1-CG 4.38Å; L244-N267 CarbonylContact C-O 3.14Å; L244-N267 WeakPolarHBondContact CA-O 3.48Å; L244-N267 PolarHBondContact N-O 3.48Å; L244-L268 HydrophobicContact CB-CD2 3.85Å; L244-L268 HydrophobicContact CD1-CD2 4.04Å; L244-N271 PolarHBondContact O-ND2 2.92Å
245	S	98.7	Very high	97	Very high	15 Å²	15	36.2 Å²	36.2	11%	0.105	21%	0.205	C	C	.	.			trans	-63.5	154.2	-177.6	56.5	0	0	0	0	113.2	S221 R222 N247 N267 S269	S221-S245 CarbonylContact C-O 3.55Å; S221-S245 WeakPolarHBondContact CA-O 3.26Å; S221-S245 WeakPolarHBondContact CB-O 3.18Å; S221-S245 VanDerWaalsContact CB-OG 3.22Å; S221-S245 WeakPolarHBondContact CB-OG 3.23Å; R222-S245 PolarHBondContact N-O 2.76Å; S245-N247 VanDerWaalsContact C-N 3.34Å; S245-N247 PolarHBondContact O-N 3.49Å; S245-N247 PolarHBondContact O-ND2 3.03Å; S245-N267 PolarHBondContact N-O 2.62Å; S245-S269 CarbonylContact C-O 3.56Å; S245-S269 WeakPolarHBondContact CA-O 3.43Å; S245-S269 WeakPolarHBondContact CB-O 3.47Å; S245-S269 VanDerWaalsContact CB-OG 3.29Å; S245-S269 WeakPolarHBondContact CB-OG 3.36Å
246	S	98.7	Very high	97.1	Very high	27 Å²	27	34.3 Å²	34.3	19%	0.189	19%	0.185	C	C	.	.	S	Bend	trans	55	45.1	180	-34.1	0	0	0	0	113.2	R222 S269 Q270	R222-S246 VanDerWaalsContact CA-O 3.3Å; R222-S246 WeakPolarHBondContact CA-O 3.3Å; R222-S246 PolarHBondContact N-O 2.77Å; S246-S269 PolarHBondContact N-O 2.88Å; S246-Q270 PolarHBondContact OG-OE1 2.99Å
247	N	98.2	Very high	97.1	Very high	7 Å²	7	34.3 Å²	34.3	4%	0.037	19%	0.185	C	C	.	.	S	Bend	trans	-110.7	-166.2	170.9	-84.6	-75.7	0	0	0	109.9	L220 N223 K224 I225 L244 S245 L249 N271	L220-N247 PolarHBondContact O-ND2 2.98Å; N223-N247 WeakPolarHBondContact CA-OD1 3.48Å; N223-N247 WeakPolarHBondContact CB-OD1 3.29Å; N223-N247 PolarHBondContact N-OD1 3.33Å; N223-N247 PolarHBondContact O-OD1 3.26Å; K224-N247 PolarHBondContact N-OD1 3.25Å; I225-N247 HydrophobicContact CB-CB 4.31Å; I225-N247 WeakPolarHBondContact CB-OD1 3.19Å; I225-N247 WeakPolarHBondContact CG1-OD1 3.4Å; I225-N247 PolarHBondContact N-OD1 2.77Å; L244-N247 PolarHBondContact O-ND2 2.9Å; S245-N247 VanDerWaalsContact C-N 3.34Å; S245-N247 PolarHBondContact O-N 3.49Å; S245-N247 PolarHBondContact O-ND2 3.03Å; N247-L249 HydrophobicContact CB-CG 4.41Å; N247-N271 VanDerWaalsContact CA-OD1 3.27Å; N247-N271 WeakPolarHBondContact CA-OD1 3.25Å; N247-N271 WeakPolarHBondContact CB-OD1 3.13Å; N247-N271 PolarHBondContact N-OD1 3.18Å; N247-N271 PolarHBondContact O-OD1 3.47Å
248	V	96.5	Very high	97.2	Very high	68 Å²	68	37.8 Å²	37.8	41%	0.412	19%	0.186	S	C	.	.			trans	-118.7	32.3	179	-67.2	0	0	0	0	111.8	K224 I225 F226 T250 N271 P272	K224-V248 VanDerWaalsContact O-CG2 3.3Å; K224-V248 WeakPolarHBondContact O-CG2 3.37Å; I225-V248 CarbonylContact O-C 3.5Å; I225-V248 VanDerWaalsContact O-C 3.31Å; I225-V248 WeakPolarHBondContact O-CG2 3.42Å; I225-V248 PolarHBondContact O-N 3.11Å; I225-V248 VanDerWaalsContact O-N 3.08Å; F226-V248 HydrophobicContact CB-CG2 3.77Å; V248-T250 PolarHBondContact O-N 3.13Å; V248-N271 PolarHBondContact N-OD1 2.9Å; V248-P272 HydrophobicContact CB-CG 4.45Å
249	L	95.6	Very high	96.9	Very high	4 Å²	4	39.8 Å²	39.8	2%	0.021	19%	0.191	C	C	.	.			trans	-67	123.6	176.3	-64.5	170.2	0	0	0	110.2	I225 V228 L244 N247 L268 N271 P272 I273	I225-L249 HydrophobicContact CG2-CD2 4.05Å; I225-L249 PolarHBondContact O-N 2.81Å; V228-L249 HydrophobicContact CG2-CD2 3.95Å; L244-L249 HydrophobicContact CB-CD1 4.28Å; L244-L249 HydrophobicContact CD1-CD1 4.38Å; N247-L249 HydrophobicContact CB-CG 4.41Å; L249-L268 HydrophobicContact CD1-CD2 3.83Å; L249-N271 HydrophobicContact CB-CB 4.33Å; L249-N271 WeakPolarHBondContact CB-OD1 3.38Å; L249-N271 PolarHBondContact N-OD1 3.01Å; L249-P272 CarbonylContact O-C 3.59Å; L249-P272 WeakPolarHBondContact O-CD 3.27Å; L249-P272 WeakPolarHBondContact O-CG 3.47Å; L249-I273 WeakPolarHBondContact O-CG1 3.33Å; L249-I273 PolarHBondContact O-N 3.27Å
250	T	93.9	Very high	96.8	Very high	78 Å²	78	39.9 Å²	39.9	48%	0.479	19%	0.192	S	C	.	.	S	Bend	trans	-91	-13	176.5	56.6	0	0	0	0	112.7	V248	V248-T250 PolarHBondContact O-N 3.13Å
251	I	94.2	Very high	96.6	Very high	64 Å²	64	39.6 Å²	39.6	33%	0.328	20%	0.2	S	C	.	.	S	Bend	trans	-139.9	152.1	-178.7	64.3	173.1	0	0	0	110.3
252	V	98.1	Very high	96.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.212	C	C	.	.			trans	-67.6	130.7	168.2	179.4	0	0	0	0	108.3	H254 L257 L268 I273 D280 F281	V252-H254 PolarHBondContact O-N 2.95Å; V252-H254 PolarHBondContact O-ND1 3.29Å; V252-L257 HydrophobicContact CG1-CD1 3.84Å; V252-L268 HydrophobicContact CG1-CD1 4.08Å; V252-L268 HydrophobicContact CG2-CD1 4.4Å; V252-I273 HydrophobicContact CG2-CD1 3.85Å; V252-D280 HydrophobicContact CB-CB 3.97Å; V252-D280 HydrophobicContact CG1-CB 4.11Å; V252-D280 HydrophobicContact CG2-CB 4.22Å; V252-D280 WeakPolarHBondContact CG2-OD2 3.46Å; V252-F281 HydrophobicContact CG1-CE1 3.93Å; V252-F281 HydrophobicContact CG1-CE2 4.1Å; V252-F281 HydrophobicContact CG1-CZ 3.69Å; V252-F281 HydrophobicContact CG2-CE2 3.99Å; V252-F281 HydrophobicContact CG2-CZ 3.98Å
253	P	96.5	Very high	96.5	Very high	11 Å²	11	41.4 Å²	41.4	7%	0.071	21%	0.212	C	C	.	.			trans	-77.4	55.7	-179.5	32.9	-36	0	0	0	112.1	V228 L244 Q255 A256 L257	V228-P253 HydrophobicContact CB-CB 3.85Å; V228-P253 HydrophobicContact CG1-CB 4.15Å; V228-P253 HydrophobicContact CG2-CB 4.24Å; L244-P253 HydrophobicContact CD1-CG 4.38Å; P253-Q255 VanDerWaalsContact C-N 3.31Å; P253-Q255 PolarHBondContact O-N 2.81Å; P253-A256 HydrophobicContact CB-CB 4.47Å; P253-A256 PolarHBondContact O-N 3.16Å; P253-L257 HydrophobicContact CG-CD1 4.32Å; P253-L257 HydrophobicContact CG-CG 4.2Å; P253-L257 WeakPolarHBondContact O-CG 3.26Å; P253-L257 PolarHBondContact O-N 3.43Å
254	H	96.7	Very high	96.5	Very high	49 Å²	49	41.5 Å²	41.5	23%	0.227	21%	0.213	C	C	.	.	H	α-helix	trans	-54.4	-39.9	-169.3	61.5	-85.6	0	0	0	113.9	V252 L257 R258 D280	V252-H254 PolarHBondContact O-N 2.95Å; V252-H254 PolarHBondContact O-ND1 3.29Å; H254-L257 PolarHBondContact O-N 3.07Å; H254-R258 VanDerWaalsContact O-CG 3.31Å; H254-R258 WeakPolarHBondContact O-CG 3.37Å; H254-R258 PolarHBondContact O-N 2.9Å; H254-D280 WeakPolarHBondContact CB-O 3.44Å; H254-D280 IonicContact CG-OD1 2.92Å; H254-D280 IonicContact ND1-OD1 2.72Å
255	Q	94.8	Very high	96.5	Very high	101 Å²	101	43 Å²	43	47%	0.472	22%	0.223	S	C	.	.	H	α-helix	trans	-65.5	-41.3	179.1	-57.5	-176.7	8.9	0	0	112.2	E230 P253	E230-Q255 HydrophobicContact CB-CB 3.95Å; P253-Q255 VanDerWaalsContact C-N 3.31Å; P253-Q255 PolarHBondContact O-N 2.81Å
256	A	96.2	Very high	96.5	Very high	2 Å²	2	42.2 Å²	42.2	2%	0.017	22%	0.218	C	C	.	.	H	α-helix	trans	-71.1	-39.8	177.7	0	0	0	0	0	111.6	V228 E230 F233 P253 R258 R259	V228-A256 HydrophobicContact CG1-CB 3.84Å; E230-A256 WeakPolarHBondContact O-CA 3.32Å; F233-A256 HydrophobicContact CD2-CB 3.72Å; F233-A256 HydrophobicContact CE2-CB 3.87Å; P253-A256 HydrophobicContact CB-CB 4.47Å; P253-A256 PolarHBondContact O-N 3.16Å; A256-R258 VanDerWaalsContact C-N 3.34Å; A256-R258 PolarHBondContact O-N 2.95Å; A256-R259 PolarHBondContact O-N 2.79Å
257	L	97.7	Very high	96.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-62.4	-38.8	177.3	-66.5	178.2	0	0	0	112.2	L242 V252 P253 H254 R259 L260 L263 V266 F281 L284	L242-L257 HydrophobicContact CD2-CD2 3.72Å; V252-L257 HydrophobicContact CG1-CD1 3.84Å; P253-L257 HydrophobicContact CG-CD1 4.32Å; P253-L257 HydrophobicContact CG-CG 4.2Å; P253-L257 WeakPolarHBondContact O-CG 3.26Å; P253-L257 PolarHBondContact O-N 3.43Å; H254-L257 PolarHBondContact O-N 3.07Å; L257-R259 PolarHBondContact O-N 3.33Å; L257-L260 HydrophobicContact CD2-CD1 4.24Å; L257-L260 WeakPolarHBondContact O-CB 3.47Å; L257-L260 PolarHBondContact O-N 2.96Å; L257-L263 HydrophobicContact CD2-CD2 4.06Å; L257-V266 HydrophobicContact CD2-CG2 4.2Å; L257-F281 HydrophobicContact CD1-CD1 4.33Å; L257-F281 HydrophobicContact CD1-CE1 4.1Å; L257-L284 HydrophobicContact CB-CD1 4.39Å; L257-L284 VanDerWaalsContact O-CD2 3.25Å; L257-L284 WeakPolarHBondContact O-CD2 3.37Å
258	R	95.1	Very high	96.5	Very high	111 Å²	111	42.2 Å²	42.2	42%	0.419	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-19.8	178.3	-77.5	177.3	-173.4	-160.3	7.2	114.5	H254 A256 L260 D279	H254-R258 VanDerWaalsContact O-CG 3.31Å; H254-R258 WeakPolarHBondContact O-CG 3.37Å; H254-R258 PolarHBondContact O-N 2.9Å; A256-R258 VanDerWaalsContact C-N 3.34Å; A256-R258 PolarHBondContact O-N 2.95Å; R258-L260 VanDerWaalsContact C-N 3.32Å; R258-D279 PolarHBondContact NH2-O 3.29Å
259	R	92.7	Very high	96.6	Very high	138 Å²	138	39.5 Å²	39.5	52%	0.521	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-14	174.9	-65.8	-169.8	172.6	-92.8	3.4	113.4	E230 N231 A256 L257 G261	E230-R259 WeakPolarHBondContact O-CD 3.43Å; E230-R259 PolarHBondContact O-NE 3.26Å; N231-R259 PolarHBondContact OD1-NE 2.76Å; N231-R259 PolarHBondContact OD1-NH2 3.36Å; A256-R259 PolarHBondContact O-N 2.79Å; L257-R259 PolarHBondContact O-N 3.33Å; R259-G261 PolarHBondContact O-N 3.18Å
260	L	96.2	Very high	96.8	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	22%	0.219	C	C	.	.			trans	-92.3	75.3	-178	-61.7	172.3	0	0	0	110.9	F233 I236 L239 L242 L257 R258 S262 L263	F233-L260 HydrophobicContact CB-CD1 4.32Å; F233-L260 HydrophobicContact CB-CD2 3.75Å; F233-L260 HydrophobicContact CB-CG 4.11Å; F233-L260 HydrophobicContact CD2-CD1 3.87Å; F233-L260 HydrophobicContact CD2-CG 4.4Å; F233-L260 HydrophobicContact CE2-CD1 4.49Å; F233-L260 HydrophobicContact CG-CD1 4.19Å; F233-L260 HydrophobicContact CG-CD2 4.43Å; I236-L260 HydrophobicContact CD1-CD2 4.38Å; I236-L260 HydrophobicContact CG1-CD2 3.99Å; L239-L260 HydrophobicContact CB-CD2 4.01Å; L239-L260 HydrophobicContact CD2-CD1 4.04Å; L239-L260 HydrophobicContact CD2-CD2 4.1Å; L242-L260 HydrophobicContact CD2-CD1 3.94Å; L257-L260 HydrophobicContact CD2-CD1 4.24Å; L257-L260 WeakPolarHBondContact O-CB 3.47Å; L257-L260 PolarHBondContact O-N 2.96Å; R258-L260 VanDerWaalsContact C-N 3.32Å; L260-S262 PolarHBondContact O-N 2.75Å; L260-S262 VanDerWaalsContact O-N 3.14Å; L260-L263 HydrophobicContact CB-CB 3.83Å; L260-L263 HydrophobicContact CB-CD2 4.33Å; L260-L263 HydrophobicContact CD1-CD1 4.27Å; L260-L263 HydrophobicContact CD1-CD2 3.99Å; L260-L263 WeakPolarHBondContact O-CB 3.2Å; L260-L263 PolarHBondContact O-N 3.34Å
261	G	92.9	Very high	97	Very high	40 Å²	40	40.1 Å²	40.1	41%	0.412	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-18.6	-175.4	0	0	0	0	0	115.7	R259 R286	R259-G261 PolarHBondContact O-N 3.18Å; G261-R286 WeakPolarHBondContact O-CG 3.44Å
262	S	97.6	Very high	97.1	Very high	50 Å²	50	38.7 Å²	38.7	35%	0.35	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-1.5	179.1	-50.1	0	0	0	0	114.1	G237 L239 L260 R264	G237-S262 VanDerWaalsContact O-CB 3.28Å; G237-S262 WeakPolarHBondContact O-CB 3.35Å; G237-S262 PolarHBondContact O-OG 3.38Å; L239-S262 CarbonylContact O-C 3.08Å; L239-S262 VanDerWaalsContact O-C 3.23Å; L260-S262 PolarHBondContact O-N 2.75Å; L260-S262 VanDerWaalsContact O-N 3.14Å; S262-R264 PolarHBondContact O-N 2.96Å
263	L	98.6	Very high	97.1	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	19%	0.192	C	C	.	.			trans	-62.4	122.6	-172.3	-169.6	68.5	0	0	0	111.1	L239 L242 L257 L260 V266 R286 L287	L239-L263 HydrophobicContact CD2-CD1 4.26Å; L239-L263 HydrophobicContact CG-CD1 4.47Å; L239-L263 WeakPolarHBondContact O-CA 3.28Å; L239-L263 PolarHBondContact O-N 3.18Å; L242-L263 HydrophobicContact CB-CD1 3.79Å; L257-L263 HydrophobicContact CD2-CD2 4.06Å; L260-L263 HydrophobicContact CB-CB 3.83Å; L260-L263 HydrophobicContact CB-CD2 4.33Å; L260-L263 HydrophobicContact CD1-CD1 4.27Å; L260-L263 HydrophobicContact CD1-CD2 3.99Å; L260-L263 WeakPolarHBondContact O-CB 3.2Å; L260-L263 PolarHBondContact O-N 3.34Å; L263-V266 HydrophobicContact CD2-CB 4.16Å; L263-R286 CarbonylContact O-C 3.31Å; L263-L287 HydrophobicContact CD2-CD1 4.28Å; L263-L287 HydrophobicContact CG-CD1 4.27Å; L263-L287 WeakPolarHBondContact O-CA 3.4Å; L263-L287 PolarHBondContact O-N 2.98Å; L263-L287 VanDerWaalsContact O-N 3.07Å
264	R	98.8	Very high	97	Very high	105 Å²	105	41.8 Å²	41.8	40%	0.396	20%	0.203	S	C	.	.			trans	-101.3	-36.9	176.1	-62	-162.8	-174.8	133.7	-8.3	112.6	D240 S262 R286 R288 D289	D240-R264 WeakPolarHBondContact O-CA 3.44Å; D240-R264 PolarHBondContact O-N 3.38Å; D240-R264 WeakPolarHBondContact OD1-CD 3.44Å; D240-R264 VanDerWaalsContact OD1-CG 3.28Å; D240-R264 WeakPolarHBondContact OD1-CG 3.4Å; D240-R264 IonicContact OD1-CZ 2.9Å; D240-R264 VanDerWaalsContact OD1-CZ 3.26Å; D240-R264 IonicContact OD1-NE 3.78Å; D240-R264 PolarHBondContact OD1-NE 2.9Å; D240-R264 IonicContact OD1-NH1 2.96Å; D240-R264 PolarHBondContact OD1-NH1 2.63Å; S262-R264 PolarHBondContact O-N 2.96Å; R264-R286 WeakPolarHBondContact CA-O 3.15Å; R264-R286 HydrophobicContact CG-CB 4.44Å; R264-R288 WeakPolarHBondContact O-CA 3.34Å; R264-R288 PolarHBondContact O-N 3.47Å; R264-D289 PolarHBondContact O-N 2.97Å
265	S	98.8	Very high	96.9	Very high	30 Å²	30	40 Å²	40	21%	0.21	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	128.8	-175	-176.9	0	0	0	0	111.2	D240 S241 L242 D289	D240-S265 PolarHBondContact O-N 3.03Å; S241-S265 WeakPolarHBondContact CA-O 3.38Å; L242-S265 PolarHBondContact N-O 3.07Å; S265-D289 WeakPolarHBondContact CA-O 3.37Å
266	V	98.7	Very high	97.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	123.5	172.8	65.7	0	0	0	0	110.2	L242 L257 L263 L268 F281 L287 D289 V290 N291	L242-V266 WeakPolarHBondContact O-CA 3.45Å; L257-V266 HydrophobicContact CD2-CG2 4.2Å; L263-V266 HydrophobicContact CD2-CB 4.16Å; V266-L268 HydrophobicContact CG2-CD1 4.15Å; V266-L268 HydrophobicContact CG2-CG 4.1Å; V266-F281 HydrophobicContact CG1-CD1 4.34Å; V266-F281 HydrophobicContact CG1-CE1 3.85Å; V266-L287 HydrophobicContact CB-CD1 4.35Å; V266-L287 HydrophobicContact CG1-CD1 3.87Å; V266-D289 PolarHBondContact N-O 3.06Å; V266-V290 HydrophobicContact CG1-CB 4.4Å; V266-V290 HydrophobicContact CG1-CG1 4.32Å; V266-V290 HydrophobicContact CG1-CG2 3.93Å; V266-N291 PolarHBondContact O-N 3.06Å
267	N	98.9	Very high	97.1	Very high	33 Å²	33	38.5 Å²	38.5	18%	0.176	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	111.1	175.7	-169.2	-19	0	0	0	110.7	L242 R243 L244 S245 S269 N291	L242-N267 PolarHBondContact O-N 3.38Å; R243-N267 HydrophobicContact CG-CB 4.34Å; L244-N267 CarbonylContact C-O 3.14Å; L244-N267 WeakPolarHBondContact CA-O 3.48Å; L244-N267 PolarHBondContact N-O 3.48Å; S245-N267 PolarHBondContact N-O 2.62Å; N267-S269 VanDerWaalsContact OD1-CB 3.3Å; N267-S269 WeakPolarHBondContact OD1-CB 3.26Å; N267-S269 PolarHBondContact OD1-N 3.12Å; N267-S269 PolarHBondContact OD1-OG 3.18Å; N267-N291 HydrophobicContact CB-CB 4.26Å
268	L	98.8	Very high	97	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.198	C	C	.	.			trans	-114.1	10.4	178.3	-73.6	163.7	0	0	0	112.1	L244 L249 V252 V266 N271 F281 N291 L292	L244-L268 HydrophobicContact CB-CD2 3.85Å; L244-L268 HydrophobicContact CD1-CD2 4.04Å; L249-L268 HydrophobicContact CD1-CD2 3.83Å; V252-L268 HydrophobicContact CG1-CD1 4.08Å; V252-L268 HydrophobicContact CG2-CD1 4.4Å; V266-L268 HydrophobicContact CG2-CD1 4.15Å; V266-L268 HydrophobicContact CG2-CG 4.1Å; L268-N271 WeakPolarHBondContact O-CB 3.46Å; L268-N271 PolarHBondContact O-ND2 3.15Å; L268-F281 HydrophobicContact CD1-CE1 3.91Å; L268-F281 HydrophobicContact CD1-CZ 3.68Å; L268-N291 CarbonylContact C-O 3.23Å; L268-N291 PolarHBondContact N-O 3.44Å; L268-L292 HydrophobicContact CB-CD2 3.88Å; L268-L292 HydrophobicContact CD1-CD2 4.25Å
269	S	98.7	Very high	97	Very high	11 Å²	11	37.8 Å²	37.8	8%	0.077	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	155.6	-176.3	72.1	0	0	0	0	112.9	S245 S246 N267 N271 N291 S293	S245-S269 CarbonylContact C-O 3.56Å; S245-S269 WeakPolarHBondContact CA-O 3.43Å; S245-S269 WeakPolarHBondContact CB-O 3.47Å; S245-S269 VanDerWaalsContact CB-OG 3.29Å; S245-S269 WeakPolarHBondContact CB-OG 3.36Å; S246-S269 PolarHBondContact N-O 2.88Å; N267-S269 VanDerWaalsContact OD1-CB 3.3Å; N267-S269 WeakPolarHBondContact OD1-CB 3.26Å; N267-S269 PolarHBondContact OD1-N 3.12Å; N267-S269 PolarHBondContact OD1-OG 3.18Å; S269-N271 PolarHBondContact O-N 2.87Å; S269-N271 PolarHBondContact O-ND2 3.12Å; S269-N291 WeakPolarHBondContact CB-OD1 3.41Å; S269-N291 PolarHBondContact N-O 3.43Å; S269-S293 VanDerWaalsContact CA-O 3.22Å; S269-S293 WeakPolarHBondContact CA-O 3.16Å; S269-S293 WeakPolarHBondContact CB-O 3.49Å
270	Q	98.5	Very high	97.3	Very high	93 Å²	93	31.4 Å²	31.4	44%	0.435	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	58	30.4	179.1	-55.8	-178	-14.8	0	0	114.7	S246 S293 T294	S246-Q270 PolarHBondContact OG-OE1 2.99Å; Q270-S293 PolarHBondContact N-O 2.8Å; Q270-S293 VanDerWaalsContact N-O 3.1Å; Q270-T294 WeakPolarHBondContact CA-O 3.48Å; Q270-T294 HydrophobicContact CG-CG2 3.77Å
271	N	98.5	Very high	97.4	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.011	17%	0.166	C	C	.	.			trans	-103.3	153.7	169.6	-81.3	-84.4	0	0	0	111.6	L244 N247 V248 L249 L268 S269 I273 M295	L244-N271 PolarHBondContact O-ND2 2.92Å; N247-N271 VanDerWaalsContact CA-OD1 3.27Å; N247-N271 WeakPolarHBondContact CA-OD1 3.25Å; N247-N271 WeakPolarHBondContact CB-OD1 3.13Å; N247-N271 PolarHBondContact N-OD1 3.18Å; N247-N271 PolarHBondContact O-OD1 3.47Å; V248-N271 PolarHBondContact N-OD1 2.9Å; L249-N271 HydrophobicContact CB-CB 4.33Å; L249-N271 WeakPolarHBondContact CB-OD1 3.38Å; L249-N271 PolarHBondContact N-OD1 3.01Å; L268-N271 WeakPolarHBondContact O-CB 3.46Å; L268-N271 PolarHBondContact O-ND2 3.15Å; S269-N271 PolarHBondContact O-N 2.87Å; S269-N271 PolarHBondContact O-ND2 3.12Å; N271-I273 HydrophobicContact CB-CD1 4.46Å; N271-I273 HydrophobicContact CB-CG1 4.16Å; N271-I273 PolarHBondContact O-N 2.9Å; N271-M295 HydrophobicContact CB-CE 3.82Å; N271-M295 HydrophobicContact CB-SD 3.98Å; N271-M295 PolarHBondContact N-SD 3.07Å; N271-M295 VanDerWaalsContact O-CE 3.22Å; N271-M295 WeakPolarHBondContact O-CE 3.21Å
272	P	97.3	Very high	97.6	Very high	35 Å²	35	29.5 Å²	29.5	23%	0.227	15%	0.147	C	C	.	.			trans	-79.9	30.9	178.7	34.3	-37.5	0	0	0	114.1	V248 L249 Y274 R297	V248-P272 HydrophobicContact CB-CG 4.45Å; L249-P272 CarbonylContact O-C 3.59Å; L249-P272 WeakPolarHBondContact O-CD 3.27Å; L249-P272 WeakPolarHBondContact O-CG 3.47Å; P272-Y274 PolarHBondContact O-N 3.27Å; P272-R297 HydrophobicContact CB-CG 4.11Å
273	I	97.4	Very high	97.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.151	C	C	.	.			trans	-67.7	124.2	175.3	-53.7	176.2	0	0	0	108.3	L249 V252 N271 K275 M295 R297 L298	L249-I273 WeakPolarHBondContact O-CG1 3.33Å; L249-I273 PolarHBondContact O-N 3.27Å; V252-I273 HydrophobicContact CG2-CD1 3.85Å; N271-I273 HydrophobicContact CB-CD1 4.46Å; N271-I273 HydrophobicContact CB-CG1 4.16Å; N271-I273 PolarHBondContact O-N 2.9Å; I273-K275 WeakPolarHBondContact CG2-O 3.43Å; I273-M295 HydrophobicContact CB-CE 3.39Å; I273-M295 HydrophobicContact CD1-CE 3.7Å; I273-M295 HydrophobicContact CG1-CE 3.58Å; I273-R297 CarbonylContact O-C 3.43Å; I273-L298 VanDerWaalsContact O-CA 3.25Å; I273-L298 WeakPolarHBondContact O-CA 3.41Å; I273-L298 PolarHBondContact O-N 2.96Å; I273-L298 VanDerWaalsContact O-N 3.17Å
274	Y	95.2	Very high	97.5	Very high	76 Å²	76	31.2 Å²	31.2	30%	0.298	15%	0.152	S	C	.	.			trans	-90.6	-21.8	-175.2	77.9	-85.8	0	0	0	114.1	P272 R297 R299	P272-Y274 PolarHBondContact O-N 3.27Å; Y274-R297 VanDerWaalsContact CA-O 3.26Å; Y274-R297 WeakPolarHBondContact CA-O 3.01Å; Y274-R299 PolarHBondContact O-N 2.9Å
275	K	94.8	Very high	97.4	Very high	10 Å²	10	29.3 Å²	29.3	4%	0.043	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	148.3	172.4	67.7	179.5	178.5	171	0	111.3	I273 R277 L300 E302 D446	I273-K275 WeakPolarHBondContact CG2-O 3.43Å; K275-R277 HydrophobicContact CD-CG 4.48Å; K275-R277 HydrophobicContact CG-CG 4.14Å; K275-L300 VanDerWaalsContact CA-O 3.29Å; K275-L300 WeakPolarHBondContact CA-O 3.33Å; K275-L300 HydrophobicContact CB-CD1 3.76Å; K275-L300 HydrophobicContact CB-CG 3.89Å; K275-L300 HydrophobicContact CD-CD1 4.05Å; K275-E302 WeakPolarHBondContact CD-OE1 3.39Å; K275-E302 WeakPolarHBondContact CE-OE1 3.34Å; K275-E302 IonicContact NZ-OE1 3.94Å; K275-E302 PolarHBondContact NZ-OE1 3.07Å; K275-D446 IonicContact NZ-OD1 3.22Å; K275-D446 PolarHBondContact NZ-OD1 2.65Å; K275-D446 IonicContact NZ-OD2 3.2Å
276	V	97.9	Very high	97.3	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	116.9	167.2	-175.5	0	0	0	0	107.4	D280 F281 L292 L298 L300 I301 E302 A305	V276-D280 HydrophobicContact CG1-CB 3.9Å; V276-F281 HydrophobicContact CG1-CD2 4.01Å; V276-F281 HydrophobicContact CG1-CE2 3.77Å; V276-L292 HydrophobicContact CG2-CD1 3.98Å; V276-L298 HydrophobicContact CG2-CD1 4.09Å; V276-L300 PolarHBondContact N-O 3.18Å; V276-L300 VanDerWaalsContact N-O 3.16Å; V276-I301 HydrophobicContact CB-CD1 3.63Å; V276-I301 HydrophobicContact CB-CG2 4.44Å; V276-I301 HydrophobicContact CG2-CD1 3.42Å; V276-I301 VanDerWaalsContact CG2-CD1 3.42Å; V276-E302 WeakPolarHBondContact O-CB 3.2Å; V276-E302 PolarHBondContact O-N 2.99Å; V276-A305 HydrophobicContact CB-CB 4.42Å; V276-A305 HydrophobicContact CG1-CB 3.74Å
277	R	96	Very high	97.3	Very high	72 Å²	72	33.7 Å²	33.7	27%	0.272	17%	0.165	S	C	.	.	P	Polyproline II helix	trans	-83.4	164.5	-172.7	-58.6	-172.1	-178	97.6	-4.7	111.9	K275 D279 D280 E302 A305	K275-R277 HydrophobicContact CD-CG 4.48Å; K275-R277 HydrophobicContact CG-CG 4.14Å; R277-D279 PolarHBondContact O-N 3.18Å; R277-D280 PolarHBondContact N-OD2 3.22Å; R277-D280 WeakPolarHBondContact O-CB 3.04Å; R277-D280 PolarHBondContact O-N 3.04Å; R277-E302 VanDerWaalsContact CA-OE2 3.26Å; R277-E302 WeakPolarHBondContact CA-OE2 3.23Å; R277-A305 WeakPolarHBondContact O-CA 3.31Å
278	T	95.6	Very high	97.3	Very high	49 Å²	49	37 Å²	37	30%	0.301	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	132	167.4	-60.1	0	0	0	0	110.8	D280 E302 R303	T278-D280 PolarHBondContact O-N 3.28Å; T278-E302 PolarHBondContact N-OE2 2.92Å; T278-R303 WeakPolarHBondContact CA-O 3.3Å; T278-R303 VanDerWaalsContact CB-O 3.26Å; T278-R303 WeakPolarHBondContact CB-O 3.31Å; T278-R303 WeakPolarHBondContact CG2-O 3.1Å; T278-R303 PolarHBondContact OG1-O 3.31Å
279	D	96.3	Very high	97.3	Very high	46 Å²	46	39.6 Å²	39.6	25%	0.246	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	13.2	177.3	-56.4	-32.2	0	0	0	116.9	R258 R277 F281 A282 G304 K307	R258-D279 PolarHBondContact NH2-O 3.29Å; R277-D279 PolarHBondContact O-N 3.18Å; D279-F281 VanDerWaalsContact C-N 3.28Å; D279-F281 PolarHBondContact O-N 3.24Å; D279-A282 HydrophobicContact CB-CB 3.7Å; D279-A282 WeakPolarHBondContact O-CB 3.34Å; D279-A282 PolarHBondContact O-N 3.4Å; D279-A282 VanDerWaalsContact O-N 3.11Å; D279-G304 PolarHBondContact N-O 2.98Å; D279-K307 WeakPolarHBondContact OD1-CD 3.3Å; D279-K307 IonicContact OD1-NZ 3.21Å; D279-K307 PolarHBondContact OD1-NZ 3.28Å; D279-K307 IonicContact OD2-NZ 3.22Å
280	D	97.8	Very high	97.3	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.021	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-37.2	178.7	-93.6	-7.2	0	0	0	112.6	V252 H254 V276 R277 T278	V252-D280 HydrophobicContact CB-CB 3.97Å; V252-D280 HydrophobicContact CG1-CB 4.11Å; V252-D280 HydrophobicContact CG2-CB 4.22Å; V252-D280 WeakPolarHBondContact CG2-OD2 3.46Å; H254-D280 WeakPolarHBondContact CB-O 3.44Å; H254-D280 IonicContact CG-OD1 2.92Å; H254-D280 IonicContact ND1-OD1 2.72Å; V276-D280 HydrophobicContact CG1-CB 3.9Å; R277-D280 PolarHBondContact N-OD2 3.22Å; R277-D280 WeakPolarHBondContact O-CB 3.04Å; R277-D280 PolarHBondContact O-N 3.04Å; T278-D280 PolarHBondContact O-N 3.28Å
281	F	98.1	Very high	97.3	Very high	1 Å²	1	35.9 Å²	35.9	0%	0.004	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	19.5	173.8	-62.6	-82.3	0	0	0	112.4	V252 L257 V266 L268 V276 D279 L287 V290 L292 A305 F306 L309	V252-F281 HydrophobicContact CG1-CE1 3.93Å; V252-F281 HydrophobicContact CG1-CE2 4.1Å; V252-F281 HydrophobicContact CG1-CZ 3.69Å; V252-F281 HydrophobicContact CG2-CE2 3.99Å; V252-F281 HydrophobicContact CG2-CZ 3.98Å; L257-F281 HydrophobicContact CD1-CD1 4.33Å; L257-F281 HydrophobicContact CD1-CE1 4.1Å; V266-F281 HydrophobicContact CG1-CD1 4.34Å; V266-F281 HydrophobicContact CG1-CE1 3.85Å; L268-F281 HydrophobicContact CD1-CE1 3.91Å; L268-F281 HydrophobicContact CD1-CZ 3.68Å; V276-F281 HydrophobicContact CG1-CD2 4.01Å; V276-F281 HydrophobicContact CG1-CE2 3.77Å; D279-F281 VanDerWaalsContact C-N 3.28Å; D279-F281 PolarHBondContact O-N 3.24Å; F281-L287 HydrophobicContact CD1-CD2 4.28Å; F281-V290 HydrophobicContact CD1-CG2 4.36Å; F281-V290 HydrophobicContact CE1-CG1 4.07Å; F281-V290 HydrophobicContact CE2-CG1 4.32Å; F281-V290 HydrophobicContact CZ-CG1 3.93Å; F281-L292 HydrophobicContact CE2-CD1 3.93Å; F281-L292 HydrophobicContact CZ-CD1 4.19Å; F281-L292 HydrophobicContact CZ-CD2 4.16Å; F281-L292 HydrophobicContact CZ-CG 4.5Å; F281-A305 PolarHBondContact N-O 2.63Å; F281-F306 HydrophobicContact CB-CD1 4.15Å; F281-F306 AromaticContact CD2-CD1 3.99Å; F281-F306 HydrophobicContact CD2-CD1 3.99Å; F281-F306 AromaticContact CD2-CE1 3.61Å; F281-F306 HydrophobicContact CD2-CE1 3.61Å; F281-F306 HydrophobicContact CD2-CZ 4.42Å; F281-F306 HydrophobicContact CE2-CE1 4.04Å; F281-F306 HydrophobicContact CG-CD1 4.28Å; F281-F306 HydrophobicContact CG-CE1 4.18Å; F281-L309 HydrophobicContact CB-CD1 4.15Å; F281-L309 VanDerWaalsContact O-CD2 3.27Å; F281-L309 WeakPolarHBondContact O-CD2 3.28Å
282	A	97.1	Very high	97.4	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.008	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	144.1	-174.1	0	0	0	0	0	113.6	D279 K307	D279-A282 HydrophobicContact CB-CB 3.7Å; D279-A282 WeakPolarHBondContact O-CB 3.34Å; D279-A282 PolarHBondContact O-N 3.4Å; D279-A282 VanDerWaalsContact O-N 3.11Å; A282-K307 VanDerWaalsContact CA-O 3.25Å; A282-K307 WeakPolarHBondContact CA-O 3.42Å; A282-K307 HydrophobicContact CB-CB 4.06Å
283	N	96.6	Very high	97.4	Very high	83 Å²	83	34.6 Å²	34.6	44%	0.444	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	42.1	169.2	-47.7	-56.6	0	0	0	114.7	P285 K307 N308	N283-P285 WeakPolarHBondContact O-CD 3.23Å; N283-K307 PolarHBondContact N-O 3.05Å; N283-N308 WeakPolarHBondContact OD1-CB 3.33Å; N283-N308 PolarHBondContact OD1-ND2 2.96Å
284	L	97.3	Very high	97.5	Very high	3 Å²	3	36.5 Å²	36.5	2%	0.016	18%	0.175	C	C	.	.			trans	-104.9	93.4	171.8	-61.1	166.6	0	0	0	109.2	L257 R286 L287 L309	L257-L284 HydrophobicContact CB-CD1 4.39Å; L257-L284 VanDerWaalsContact O-CD2 3.25Å; L257-L284 WeakPolarHBondContact O-CD2 3.37Å; L284-R286 VanDerWaalsContact C-N 3.26Å; L284-R286 PolarHBondContact O-N 2.99Å; L284-R286 VanDerWaalsContact O-N 3.17Å; L284-L287 HydrophobicContact CB-CB 3.75Å; L284-L287 HydrophobicContact CB-CD2 4.18Å; L284-L287 HydrophobicContact CD1-CD2 3.77Å; L284-L287 PolarHBondContact O-N 3Å; L284-L309 HydrophobicContact CB-CD2 3.64Å; L284-L309 WeakPolarHBondContact O-CD2 3.48Å
285	P	96.8	Very high	97.6	Very high	65 Å²	65	32.9 Å²	32.9	42%	0.422	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-22.9	-164.2	26.1	-35.6	0	0	0	114.4	N283	N283-P285 WeakPolarHBondContact O-CD 3.23Å
286	R	98.1	Very high	97.7	Very high	123 Å²	123	37.4 Å²	37.4	46%	0.464	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-3	-178.5	-63.4	-57.6	-167.8	166.2	2	113.9	G261 L263 R264 L284 R288 E311	G261-R286 WeakPolarHBondContact O-CG 3.44Å; L263-R286 CarbonylContact O-C 3.31Å; R264-R286 WeakPolarHBondContact CA-O 3.15Å; R264-R286 HydrophobicContact CG-CB 4.44Å; L284-R286 VanDerWaalsContact C-N 3.26Å; L284-R286 PolarHBondContact O-N 2.99Å; L284-R286 VanDerWaalsContact O-N 3.17Å; R286-R288 PolarHBondContact O-N 2.74Å; R286-E311 WeakPolarHBondContact CD-OE1 3.27Å; R286-E311 IonicContact CZ-OE1 3.36Å; R286-E311 IonicContact NE-OE1 3.99Å; R286-E311 IonicContact NH1-OE1 3.39Å; R286-E311 PolarHBondContact NH1-OE1 3.11Å
287	L	98.6	Very high	97.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.21	C	C	.	.			trans	-67.6	123	-174.6	-169.8	68.9	0	0	0	110	L263 V266 F281 L284 V290 L309 E311 L312	L263-L287 HydrophobicContact CD2-CD1 4.28Å; L263-L287 HydrophobicContact CG-CD1 4.27Å; L263-L287 WeakPolarHBondContact O-CA 3.4Å; L263-L287 PolarHBondContact O-N 2.98Å; L263-L287 VanDerWaalsContact O-N 3.07Å; V266-L287 HydrophobicContact CB-CD1 4.35Å; V266-L287 HydrophobicContact CG1-CD1 3.87Å; F281-L287 HydrophobicContact CD1-CD2 4.28Å; L284-L287 HydrophobicContact CB-CB 3.75Å; L284-L287 HydrophobicContact CB-CD2 4.18Å; L284-L287 HydrophobicContact CD1-CD2 3.77Å; L284-L287 PolarHBondContact O-N 3Å; L287-V290 HydrophobicContact CD1-CG2 4.44Å; L287-V290 HydrophobicContact CD2-CG2 3.55Å; L287-V290 HydrophobicContact CG-CG2 4.03Å; L287-L309 HydrophobicContact CB-CD2 4.23Å; L287-L309 HydrophobicContact CD2-CD1 4.24Å; L287-L309 HydrophobicContact CD2-CD2 4.16Å; L287-E311 CarbonylContact O-C 3.57Å; L287-L312 WeakPolarHBondContact O-CA 3.44Å; L287-L312 PolarHBondContact O-N 2.02Å
288	R	98.6	Very high	97.6	Very high	101 Å²	101	41.5 Å²	41.5	38%	0.381	20%	0.197	S	C	.	.			trans	-111	-42.7	-178.8	-65.8	-171.9	177	-164.4	-5.5	112.5	R264 R286 E311 L313 V314	R264-R288 WeakPolarHBondContact O-CA 3.34Å; R264-R288 PolarHBondContact O-N 3.47Å; R286-R288 PolarHBondContact O-N 2.74Å; R288-E311 WeakPolarHBondContact CA-O 3.41Å; R288-E311 HydrophobicContact CG-CB 4.13Å; R288-E311 WeakPolarHBondContact CG-O 3.43Å; R288-E311 IonicContact CZ-OE2 3Å; R288-E311 IonicContact NE-OE2 3.17Å; R288-E311 PolarHBondContact NE-OE2 2.91Å; R288-E311 IonicContact NH2-OE2 3.52Å; R288-E311 PolarHBondContact NH2-OE2 3.49Å; R288-L313 PolarHBondContact O-N 3.02Å; R288-V314 PolarHBondContact O-N 2.75Å
289	D	98.8	Very high	97.7	Very high	55 Å²	55	44.8 Å²	44.8	29%	0.294	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	122.7	-171	-48.9	-64.2	0	0	0	110.6	R264 S265 V266 V314	R264-D289 PolarHBondContact O-N 2.97Å; S265-D289 WeakPolarHBondContact CA-O 3.37Å; V266-D289 PolarHBondContact N-O 3.06Å; D289-V314 WeakPolarHBondContact OD1-CB 3.45Å; D289-V314 WeakPolarHBondContact OD1-CG2 3.34Å
290	V	98.8	Very high	97.6	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.012	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	116.4	172.4	177.8	0	0	0	0	109.4	V266 F281 L287 L292 F306 L312 V314 E316	V266-V290 HydrophobicContact CG1-CB 4.4Å; V266-V290 HydrophobicContact CG1-CG1 4.32Å; V266-V290 HydrophobicContact CG1-CG2 3.93Å; F281-V290 HydrophobicContact CD1-CG2 4.36Å; F281-V290 HydrophobicContact CE1-CG1 4.07Å; F281-V290 HydrophobicContact CE2-CG1 4.32Å; F281-V290 HydrophobicContact CZ-CG1 3.93Å; L287-V290 HydrophobicContact CD1-CG2 4.44Å; L287-V290 HydrophobicContact CD2-CG2 3.55Å; L287-V290 HydrophobicContact CG-CG2 4.03Å; V290-L292 HydrophobicContact CG1-CD1 3.68Å; V290-L292 HydrophobicContact CG1-CG 3.76Å; V290-F306 HydrophobicContact CB-CE1 4.42Å; V290-F306 HydrophobicContact CG1-CE1 4.04Å; V290-F306 HydrophobicContact CG2-CE1 4.45Å; V290-L312 HydrophobicContact CB-CD1 4.49Å; V290-L312 HydrophobicContact CG2-CD1 3.78Å; V290-V314 PolarHBondContact N-O 3.26Å; V290-E316 PolarHBondContact O-N 3.45Å
291	N	98.9	Very high	97.6	Very high	25 Å²	25	42.6 Å²	42.6	13%	0.134	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	111.5	175.5	-167.1	-27	0	0	0	111.8	V266 N267 L268 S269 S293 E316	V266-N291 PolarHBondContact O-N 3.06Å; N267-N291 HydrophobicContact CB-CB 4.26Å; L268-N291 CarbonylContact C-O 3.23Å; L268-N291 PolarHBondContact N-O 3.44Å; S269-N291 WeakPolarHBondContact CB-OD1 3.41Å; S269-N291 PolarHBondContact N-O 3.43Å; N291-S293 WeakPolarHBondContact OD1-CB 3.48Å; N291-S293 PolarHBondContact OD1-N 3.38Å; N291-S293 PolarHBondContact OD1-OG 3.2Å; N291-E316 HydrophobicContact CB-CB 4.45Å; N291-E316 PolarHBondContact ND2-OE2 3.2Å; N291-E316 PolarHBondContact OD1-OE2 2.99Å
292	L	98.8	Very high	97.5	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.195	C	C	.	.			trans	-126.2	32.5	178.1	-66.4	165.3	0	0	0	110.3	L268 V276 F281 V290 M295 F306 E316 L317 N320	L268-L292 HydrophobicContact CB-CD2 3.88Å; L268-L292 HydrophobicContact CD1-CD2 4.25Å; V276-L292 HydrophobicContact CG2-CD1 3.98Å; F281-L292 HydrophobicContact CE2-CD1 3.93Å; F281-L292 HydrophobicContact CZ-CD1 4.19Å; F281-L292 HydrophobicContact CZ-CD2 4.16Å; F281-L292 HydrophobicContact CZ-CG 4.5Å; V290-L292 HydrophobicContact CG1-CD1 3.68Å; V290-L292 HydrophobicContact CG1-CG 3.76Å; L292-M295 WeakPolarHBondContact O-CG 3.31Å; L292-F306 HydrophobicContact CD1-CE1 4.34Å; L292-F306 HydrophobicContact CD1-CZ 3.9Å; L292-E316 CarbonylContact C-O 3.23Å; L292-E316 VanDerWaalsContact C-O 3.25Å; L292-E316 WeakPolarHBondContact CA-O 3.38Å; L292-E316 WeakPolarHBondContact CB-O 3.48Å; L292-E316 PolarHBondContact N-O 3Å; L292-L317 HydrophobicContact CB-CD2 3.81Å; L292-L317 HydrophobicContact CD1-CD2 3.93Å; L292-N320 PolarHBondContact O-ND2 2.82Å; L292-N320 PolarHBondContact O-OD1 3.36Å
293	S	98.6	Very high	97.4	Very high	9 Å²	9	50 Å²	50	6%	0.063	22%	0.221	C	C	.	.			trans	-78.9	161.1	178.2	64.9	0	0	0	0	112.6	S269 Q270 N291 M295 E316 H318	S269-S293 VanDerWaalsContact CA-O 3.22Å; S269-S293 WeakPolarHBondContact CA-O 3.16Å; S269-S293 WeakPolarHBondContact CB-O 3.49Å; Q270-S293 PolarHBondContact N-O 2.8Å; Q270-S293 VanDerWaalsContact N-O 3.1Å; N291-S293 WeakPolarHBondContact OD1-CB 3.48Å; N291-S293 PolarHBondContact OD1-N 3.38Å; N291-S293 PolarHBondContact OD1-OG 3.2Å; S293-M295 PolarHBondContact O-N 2.89Å; S293-M295 VanDerWaalsContact O-N 3.07Å; S293-E316 PolarHBondContact N-O 3.04Å; S293-H318 WeakPolarHBondContact CA-O 3.18Å; S293-H318 WeakPolarHBondContact CB-O 3.39Å
294	T	98.3	Very high	97.4	Very high	40 Å²	40	46.1 Å²	46.1	25%	0.245	20%	0.201	C	C	.	.	S	Bend	trans	57.3	26.5	172.3	-41.2	0	0	0	0	114.6	Q270 Q296 H318 D319 N320	Q270-T294 WeakPolarHBondContact CA-O 3.48Å; Q270-T294 HydrophobicContact CG-CG2 3.77Å; T294-Q296 PolarHBondContact O-N 3Å; T294-Q296 PolarHBondContact O-NE2 3.4Å; T294-H318 PolarHBondContact N-O 3.39Å; T294-H318 VanDerWaalsContact N-O 3.12Å; T294-D319 VanDerWaalsContact CA-O 3.23Å; T294-D319 WeakPolarHBondContact CA-O 3.17Å; T294-D319 PolarHBondContact N-O 3.49Å; T294-N320 PolarHBondContact N-OD1 3.25Å
295	M	98	Very high	97.4	Very high	0 Å²	0	46 Å²	46	0%	0	20%	0.2	C	C	.	.			trans	-81.1	98.2	179.3	-56	-72.6	-76.1	0	0	110.5	N271 I273 L292 S293 R297 L298 N320	N271-M295 HydrophobicContact CB-CE 3.82Å; N271-M295 HydrophobicContact CB-SD 3.98Å; N271-M295 PolarHBondContact N-SD 3.07Å; N271-M295 VanDerWaalsContact O-CE 3.22Å; N271-M295 WeakPolarHBondContact O-CE 3.21Å; I273-M295 HydrophobicContact CB-CE 3.39Å; I273-M295 HydrophobicContact CD1-CE 3.7Å; I273-M295 HydrophobicContact CG1-CE 3.58Å; L292-M295 WeakPolarHBondContact O-CG 3.31Å; S293-M295 PolarHBondContact O-N 2.89Å; S293-M295 VanDerWaalsContact O-N 3.07Å; M295-R297 PolarHBondContact O-N 3.46Å; M295-L298 HydrophobicContact CB-CB 3.53Å; M295-L298 HydrophobicContact CB-CD2 4.16Å; M295-L298 HydrophobicContact CB-CG 4.49Å; M295-L298 HydrophobicContact CG-CB 4.45Å; M295-L298 HydrophobicContact CG-CD2 4.29Å; M295-L298 PolarHBondContact O-N 3.32Å; M295-L298 VanDerWaalsContact O-N 3.17Å; M295-N320 WeakPolarHBondContact CA-OD1 3.39Å; M295-N320 WeakPolarHBondContact CB-OD1 3.27Å; M295-N320 WeakPolarHBondContact CG-OD1 3.33Å; M295-N320 PolarHBondContact N-OD1 3.13Å
296	Q	96	Very high	97.5	Very high	106 Å²	106	42.9 Å²	42.9	50%	0.495	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-3.4	-171.6	-60.7	-56.6	-52.8	0	0	115.6	T294 Y322	T294-Q296 PolarHBondContact O-N 3Å; T294-Q296 PolarHBondContact O-NE2 3.4Å; Q296-Y322 VanDerWaalsContact O-CD2 3.23Å; Q296-Y322 WeakPolarHBondContact O-CD2 3.22Å; Q296-Y322 WeakPolarHBondContact O-CE2 3.13Å
297	R	96	Very high	97.5	Very high	158 Å²	158	40.3 Å²	40.3	60%	0.596	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-125	-7.8	176.7	-56.1	-169.6	95.2	83.9	-4.2	113.5	P272 I273 Y274 M295 R299	P272-R297 HydrophobicContact CB-CG 4.11Å; I273-R297 CarbonylContact O-C 3.43Å; Y274-R297 VanDerWaalsContact CA-O 3.26Å; Y274-R297 WeakPolarHBondContact CA-O 3.01Å; M295-R297 PolarHBondContact O-N 3.46Å; R297-R299 PolarHBondContact O-N 2.77Å
298	L	97.6	Very high	97.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	19%	0.185	C	C	.	.			trans	-65.7	121.7	-173.6	-179.3	61.8	0	0	0	109.7	I273 V276 M295 I301 L317 N320 Y322 L323	I273-L298 VanDerWaalsContact O-CA 3.25Å; I273-L298 WeakPolarHBondContact O-CA 3.41Å; I273-L298 PolarHBondContact O-N 2.96Å; I273-L298 VanDerWaalsContact O-N 3.17Å; V276-L298 HydrophobicContact CG2-CD1 4.09Å; M295-L298 HydrophobicContact CB-CB 3.53Å; M295-L298 HydrophobicContact CB-CD2 4.16Å; M295-L298 HydrophobicContact CB-CG 4.49Å; M295-L298 HydrophobicContact CG-CB 4.45Å; M295-L298 HydrophobicContact CG-CD2 4.29Å; M295-L298 PolarHBondContact O-N 3.32Å; M295-L298 VanDerWaalsContact O-N 3.17Å; L298-I301 HydrophobicContact CD1-CD1 4.15Å; L298-I301 HydrophobicContact CD2-CD1 4.23Å; L298-L317 HydrophobicContact CD2-CD2 4.16Å; L298-N320 HydrophobicContact CB-CB 4.48Å; L298-N320 HydrophobicContact CD2-CB 4.39Å; L298-Y322 CarbonylContact O-C 3.57Å; L298-L323 HydrophobicContact CD2-CD2 4.36Å; L298-L323 HydrophobicContact CG-CD1 4.34Å; L298-L323 WeakPolarHBondContact O-CA 3.25Å; L298-L323 PolarHBondContact O-N 2.95Å
299	R	95.7	Very high	97.3	Very high	119 Å²	119	38 Å²	38	45%	0.449	17%	0.167	S	C	.	.			trans	-111.5	-36	-176.8	-72.7	-177.2	177.2	-165.6	0.3	113.5	Y274 R297 Y322 G324 Y325 T430	Y274-R299 PolarHBondContact O-N 2.9Å; R297-R299 PolarHBondContact O-N 2.77Å; R299-Y322 WeakPolarHBondContact CA-O 3.25Å; R299-G324 PolarHBondContact O-N 2.78Å; R299-Y325 PolarHBondContact O-N 3.5Å; R299-T430 PolarHBondContact NH1-O 3.07Å; R299-T430 VanDerWaalsContact NH1-O 3.11Å
300	L	95.7	Very high	97.2	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.016	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	155.7	-175.5	66.4	89.7	0	0	0	113.7	K275 V276 E302 Y325 D446 R448	K275-L300 VanDerWaalsContact CA-O 3.29Å; K275-L300 WeakPolarHBondContact CA-O 3.33Å; K275-L300 HydrophobicContact CB-CD1 3.76Å; K275-L300 HydrophobicContact CB-CG 3.89Å; K275-L300 HydrophobicContact CD-CD1 4.05Å; V276-L300 PolarHBondContact N-O 3.18Å; V276-L300 VanDerWaalsContact N-O 3.16Å; L300-E302 HydrophobicContact CD1-CG 3.44Å; L300-E302 VanDerWaalsContact CD1-CG 3.44Å; L300-Y325 CarbonylContact C-O 3.53Å; L300-Y325 WeakPolarHBondContact CA-O 3.34Å; L300-Y325 HydrophobicContact CB-CD1 4.39Å; L300-D446 HydrophobicContact CD2-CB 3.68Å; L300-R448 HydrophobicContact CD2-CG 4.43Å
301	I	97.3	Very high	97.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	122.8	168.8	-52	-60.5	0	0	0	108.1	V276 L298 A305 F306 L317 L323 Y325 V326 D327	V276-I301 HydrophobicContact CB-CD1 3.63Å; V276-I301 HydrophobicContact CB-CG2 4.44Å; V276-I301 HydrophobicContact CG2-CD1 3.42Å; V276-I301 VanDerWaalsContact CG2-CD1 3.42Å; L298-I301 HydrophobicContact CD1-CD1 4.15Å; L298-I301 HydrophobicContact CD2-CD1 4.23Å; I301-A305 HydrophobicContact CG2-CB 3.56Å; I301-F306 HydrophobicContact CG2-CE2 4.02Å; I301-L317 HydrophobicContact CD1-CD2 3.77Å; I301-L317 HydrophobicContact CG1-CD1 4.38Å; I301-L317 HydrophobicContact CG1-CD2 4.28Å; I301-L323 HydrophobicContact CG1-CD1 4.15Å; I301-Y325 PolarHBondContact N-O 3.4Å; I301-V326 HydrophobicContact CB-CG1 4.32Å; I301-V326 HydrophobicContact CB-CG2 4.42Å; I301-V326 HydrophobicContact CG1-CG2 4.1Å; I301-D327 WeakPolarHBondContact O-CB 3.26Å; I301-D327 PolarHBondContact O-N 3.44Å
302	E	95.7	Very high	97.2	Very high	11 Å²	11	39 Å²	39	5%	0.051	18%	0.175	C	C	.	.			trans	-81.4	164.4	-179	-65.6	-173.3	161.5	0	0	112.8	K275 V276 R277 T278 L300 G304 A305 R448	K275-E302 WeakPolarHBondContact CD-OE1 3.39Å; K275-E302 WeakPolarHBondContact CE-OE1 3.34Å; K275-E302 IonicContact NZ-OE1 3.94Å; K275-E302 PolarHBondContact NZ-OE1 3.07Å; V276-E302 WeakPolarHBondContact O-CB 3.2Å; V276-E302 PolarHBondContact O-N 2.99Å; R277-E302 VanDerWaalsContact CA-OE2 3.26Å; R277-E302 WeakPolarHBondContact CA-OE2 3.23Å; T278-E302 PolarHBondContact N-OE2 2.92Å; L300-E302 HydrophobicContact CD1-CG 3.44Å; L300-E302 VanDerWaalsContact CD1-CG 3.44Å; E302-G304 PolarHBondContact O-N 3.27Å; E302-A305 VanDerWaalsContact O-CB 3.29Å; E302-A305 WeakPolarHBondContact O-CB 3.4Å; E302-A305 PolarHBondContact O-N 3.39Å; E302-R448 IonicContact OE1-NH2 2.66Å; E302-R448 PolarHBondContact OE1-NH2 3.2Å
303	R	95.8	Very high	97.1	Very high	146 Å²	146	42.2 Å²	42.2	55%	0.551	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.8	133	170.8	174.9	170.1	179.7	172.9	0.9	111.3	T278 A305 D327 L329	T278-R303 WeakPolarHBondContact CA-O 3.3Å; T278-R303 VanDerWaalsContact CB-O 3.26Å; T278-R303 WeakPolarHBondContact CB-O 3.31Å; T278-R303 WeakPolarHBondContact CG2-O 3.1Å; T278-R303 PolarHBondContact OG1-O 3.31Å; R303-A305 PolarHBondContact O-N 2.95Å; R303-D327 HydrophobicContact CB-CB 4.49Å; R303-D327 WeakPolarHBondContact CB-OD1 3.01Å; R303-L329 HydrophobicContact CG-CB 3.92Å
304	G	96.4	Very high	97.2	Very high	3 Å²	3	42.8 Å²	42.8	3%	0.031	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	22.2	176.7	0	0	0	0	0	114	D279 E302 F306 L329	D279-G304 PolarHBondContact N-O 2.98Å; E302-G304 PolarHBondContact O-N 3.27Å; G304-F306 PolarHBondContact O-N 3.11Å; G304-L329 PolarHBondContact N-O 2.94Å
305	A	98	Very high	97.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	18%	0.183	C	C	.	.	S	Bend	trans	-55.2	-40	171.2	0	0	0	0	0	111.8	V276 R277 F281 I301 E302 R303 S330	V276-A305 HydrophobicContact CB-CB 4.42Å; V276-A305 HydrophobicContact CG1-CB 3.74Å; R277-A305 WeakPolarHBondContact O-CA 3.31Å; F281-A305 PolarHBondContact N-O 2.63Å; I301-A305 HydrophobicContact CG2-CB 3.56Å; E302-A305 VanDerWaalsContact O-CB 3.29Å; E302-A305 WeakPolarHBondContact O-CB 3.4Å; E302-A305 PolarHBondContact O-N 3.39Å; R303-A305 PolarHBondContact O-N 2.95Å; A305-S330 PolarHBondContact N-O 2.92Å
306	F	98.1	Very high	97.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	90.9	176.1	-55.8	-73.3	0	0	0	109.1	F281 V290 L292 I301 G304 L309 L312 V315 L317 S330 F331 V332 T334	F281-F306 HydrophobicContact CB-CD1 4.15Å; F281-F306 AromaticContact CD2-CD1 3.99Å; F281-F306 HydrophobicContact CD2-CD1 3.99Å; F281-F306 AromaticContact CD2-CE1 3.61Å; F281-F306 HydrophobicContact CD2-CE1 3.61Å; F281-F306 HydrophobicContact CD2-CZ 4.42Å; F281-F306 HydrophobicContact CE2-CE1 4.04Å; F281-F306 HydrophobicContact CG-CD1 4.28Å; F281-F306 HydrophobicContact CG-CE1 4.18Å; V290-F306 HydrophobicContact CB-CE1 4.42Å; V290-F306 HydrophobicContact CG1-CE1 4.04Å; V290-F306 HydrophobicContact CG2-CE1 4.45Å; L292-F306 HydrophobicContact CD1-CE1 4.34Å; L292-F306 HydrophobicContact CD1-CZ 3.9Å; I301-F306 HydrophobicContact CG2-CE2 4.02Å; G304-F306 PolarHBondContact O-N 3.11Å; F306-L309 HydrophobicContact CB-CD1 4.07Å; F306-L309 HydrophobicContact CD1-CD1 4.25Å; F306-L312 HydrophobicContact CB-CD2 4.31Å; F306-L312 HydrophobicContact CD1-CD2 4.32Å; F306-L312 HydrophobicContact CG-CD2 4.5Å; F306-V315 HydrophobicContact CE1-CG1 4.46Å; F306-V315 HydrophobicContact CE2-CG1 4.32Å; F306-V315 HydrophobicContact CZ-CG1 4Å; F306-L317 HydrophobicContact CE2-CD1 4.44Å; F306-S330 PolarHBondContact N-O 3.17Å; F306-F331 HydrophobicContact CB-CD1 3.67Å; F306-F331 HydrophobicContact CB-CE1 3.91Å; F306-F331 AromaticContact CD2-CD1 3.87Å; F306-F331 HydrophobicContact CD2-CD1 3.87Å; F306-F331 AromaticContact CD2-CE1 3.38Å; F306-F331 HydrophobicContact CD2-CE1 3.38Å; F306-F331 AromaticContact CD2-CZ 3.76Å; F306-F331 HydrophobicContact CD2-CZ 3.76Å; F306-F331 HydrophobicContact CE2-CE1 4.03Å; F306-F331 HydrophobicContact CE2-CZ 4.05Å; F306-F331 HydrophobicContact CG-CD1 4.03Å; F306-F331 AromaticContact CG-CE1 3.73Å; F306-F331 HydrophobicContact CG-CE1 3.73Å; F306-V332 PolarHBondContact O-N 3.45Å; F306-T334 HydrophobicContact CB-CG2 4.36Å; F306-T334 VanDerWaalsContact O-CG2 3.27Å; F306-T334 WeakPolarHBondContact O-CG2 3.13Å
307	K	97	Very high	97.3	Very high	68 Å²	68	38.3 Å²	38.3	30%	0.296	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	133.6	-172.5	-176.5	-175.3	-179.3	-178.9	0	112.6	D279 A282 N283 V332	D279-K307 WeakPolarHBondContact OD1-CD 3.3Å; D279-K307 IonicContact OD1-NZ 3.21Å; D279-K307 PolarHBondContact OD1-NZ 3.28Å; D279-K307 IonicContact OD2-NZ 3.22Å; A282-K307 VanDerWaalsContact CA-O 3.25Å; A282-K307 WeakPolarHBondContact CA-O 3.42Å; A282-K307 HydrophobicContact CB-CB 4.06Å; N283-K307 PolarHBondContact N-O 3.05Å; K307-V332 CarbonylContact C-O 3.53Å; K307-V332 VanDerWaalsContact CA-O 3.26Å; K307-V332 WeakPolarHBondContact CA-O 3.22Å; K307-V332 HydrophobicContact CB-CB 4.4Å; K307-V332 HydrophobicContact CG-CB 4.12Å; K307-V332 HydrophobicContact CG-CG1 4.22Å
308	N	96.8	Very high	97.4	Very high	52 Å²	52	32.1 Å²	32.1	28%	0.278	15%	0.149	S	C	.	.	S	Bend	trans	54.9	55.7	178.9	-60	-29.7	0	0	0	112	N283 P310 V332 N333	N283-N308 WeakPolarHBondContact OD1-CB 3.33Å; N283-N308 PolarHBondContact OD1-ND2 2.96Å; N308-P310 WeakPolarHBondContact O-CD 3.46Å; N308-V332 PolarHBondContact N-O 3.12Å; N308-N333 WeakPolarHBondContact CA-O 3.5Å; N308-N333 WeakPolarHBondContact OD1-CB 3.33Å; N308-N333 PolarHBondContact OD1-ND2 3.28Å
309	L	97.6	Very high	97.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.163	C	C	.	.			trans	-119.7	81.9	-179.8	-61.9	173.8	0	0	0	109.7	F281 L284 L287 F306 E311 L312 N333 T334	F281-L309 HydrophobicContact CB-CD1 4.15Å; F281-L309 VanDerWaalsContact O-CD2 3.27Å; F281-L309 WeakPolarHBondContact O-CD2 3.28Å; L284-L309 HydrophobicContact CB-CD2 3.64Å; L284-L309 WeakPolarHBondContact O-CD2 3.48Å; L287-L309 HydrophobicContact CB-CD2 4.23Å; L287-L309 HydrophobicContact CD2-CD1 4.24Å; L287-L309 HydrophobicContact CD2-CD2 4.16Å; F306-L309 HydrophobicContact CB-CD1 4.07Å; F306-L309 HydrophobicContact CD1-CD1 4.25Å; L309-E311 VanDerWaalsContact C-N 3.29Å; L309-E311 PolarHBondContact O-N 2.94Å; L309-L312 HydrophobicContact CB-CB 3.76Å; L309-L312 HydrophobicContact CB-CD2 4.34Å; L309-L312 HydrophobicContact CD1-CD2 3.85Å; L309-L312 PolarHBondContact O-N 2.95Å; L309-N333 PolarHBondContact N-O 3.17Å; L309-N333 VanDerWaalsContact N-O 3.12Å; L309-T334 HydrophobicContact CB-CG2 3.87Å; L309-T334 HydrophobicContact CG-CG2 4.48Å
310	P	96.8	Very high	97.6	Very high	62 Å²	62	29 Å²	29	40%	0.403	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-22.9	-171.1	28.4	-35.6	0	0	0	113.7	N308 S336	N308-P310 WeakPolarHBondContact O-CD 3.46Å; P310-S336 VanDerWaalsContact O-CB 3.27Å; P310-S336 WeakPolarHBondContact O-CB 3.12Å; P310-S336 PolarHBondContact O-OG 3.38Å
311	E	97.8	Very high	97.7	Very high	43 Å²	43	31.6 Å²	31.6	20%	0.201	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	0.7	178.5	-69.7	-164.7	-145.3	0	0	113.9	R286 L287 R288 L309 L313	R286-E311 WeakPolarHBondContact CD-OE1 3.27Å; R286-E311 IonicContact CZ-OE1 3.36Å; R286-E311 IonicContact NE-OE1 3.99Å; R286-E311 IonicContact NH1-OE1 3.39Å; R286-E311 PolarHBondContact NH1-OE1 3.11Å; L287-E311 CarbonylContact O-C 3.57Å; R288-E311 WeakPolarHBondContact CA-O 3.41Å; R288-E311 HydrophobicContact CG-CB 4.13Å; R288-E311 WeakPolarHBondContact CG-O 3.43Å; R288-E311 IonicContact CZ-OE2 3Å; R288-E311 IonicContact NE-OE2 3.17Å; R288-E311 PolarHBondContact NE-OE2 2.91Å; R288-E311 IonicContact NH2-OE2 3.52Å; R288-E311 PolarHBondContact NH2-OE2 3.49Å; L309-E311 VanDerWaalsContact C-N 3.29Å; L309-E311 PolarHBondContact O-N 2.94Å; E311-L313 PolarHBondContact O-N 2.82Å; E311-L313 VanDerWaalsContact O-N 3.16Å
312	L	98.5	Very high	97.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.183	C	C	.	.			trans	-62.8	120	-176.1	-175.8	70.3	0	0	0	110.1	L287 V290 F306 L309 V315 F331 T334 S336 V337	L287-L312 WeakPolarHBondContact O-CA 3.44Å; L287-L312 PolarHBondContact O-N 2.02Å; V290-L312 HydrophobicContact CB-CD1 4.49Å; V290-L312 HydrophobicContact CG2-CD1 3.78Å; F306-L312 HydrophobicContact CB-CD2 4.31Å; F306-L312 HydrophobicContact CD1-CD2 4.32Å; F306-L312 HydrophobicContact CG-CD2 4.5Å; L309-L312 HydrophobicContact CB-CB 3.76Å; L309-L312 HydrophobicContact CB-CD2 4.34Å; L309-L312 HydrophobicContact CD1-CD2 3.85Å; L309-L312 PolarHBondContact O-N 2.95Å; L312-V315 HydrophobicContact CD1-CG2 4.05Å; L312-V315 HydrophobicContact CD2-CG2 3.68Å; L312-V315 HydrophobicContact CG-CG2 3.92Å; L312-F331 HydrophobicContact CD2-CE1 4.43Å; L312-T334 HydrophobicContact CD2-CG2 4.49Å; L312-S336 CarbonylContact O-C 3.43Å; L312-S336 WeakPolarHBondContact O-CB 3.23Å; L312-V337 HydrophobicContact CB-CG2 4.24Å; L312-V337 HydrophobicContact CD2-CG2 3.82Å; L312-V337 HydrophobicContact CG-CG2 3.99Å; L312-V337 WeakPolarHBondContact O-CA 3.14Å; L312-V337 PolarHBondContact O-N 2.95Å
313	L	98.4	Very high	97.7	Very high	66 Å²	66	37.3 Å²	37.3	35%	0.346	18%	0.18	S	C	.	.			trans	-112.8	-47.5	-172.4	-174.8	70.3	0	0	0	111.6	R288 E311 S338 H339	R288-L313 PolarHBondContact O-N 3.02Å; E311-L313 PolarHBondContact O-N 2.82Å; E311-L313 VanDerWaalsContact O-N 3.16Å; L313-S338 VanDerWaalsContact CD1-OG 3.32Å; L313-S338 WeakPolarHBondContact CD1-OG 3.32Å; L313-S338 PolarHBondContact O-N 3.35Å; L313-H339 PolarHBondContact O-N 3.35Å
314	V	98.7	Very high	97.7	Very high	21 Å²	21	31.1 Å²	31.1	13%	0.127	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	128.2	-173	-174.5	0	0	0	0	110.7	R288 D289 V290 E316 H339 F341	R288-V314 PolarHBondContact O-N 2.75Å; D289-V314 WeakPolarHBondContact OD1-CB 3.45Å; D289-V314 WeakPolarHBondContact OD1-CG2 3.34Å; V290-V314 PolarHBondContact N-O 3.26Å; V314-E316 HydrophobicContact CG1-CG 4.21Å; V314-H339 HydrophobicContact CG1-CB 4.29Å; V314-H339 HydrophobicContact CG2-CB 4.24Å; V314-F341 HydrophobicContact CG1-CD2 4.21Å; V314-F341 HydrophobicContact CG1-CE2 3.8Å
315	V	98.6	Very high	97.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	107.7	174.2	-177	0	0	0	0	109.3	F306 L312 L317 F331 H339 L340 F341	F306-V315 HydrophobicContact CE1-CG1 4.46Å; F306-V315 HydrophobicContact CE2-CG1 4.32Å; F306-V315 HydrophobicContact CZ-CG1 4Å; L312-V315 HydrophobicContact CD1-CG2 4.05Å; L312-V315 HydrophobicContact CD2-CG2 3.68Å; L312-V315 HydrophobicContact CG-CG2 3.92Å; V315-L317 HydrophobicContact CG1-CD1 3.76Å; V315-L317 HydrophobicContact CG1-CG 3.92Å; V315-F331 HydrophobicContact CG1-CZ 4.28Å; V315-F331 HydrophobicContact CG2-CE1 4.04Å; V315-F331 HydrophobicContact CG2-CZ 4.46Å; V315-H339 PolarHBondContact N-O 3.12Å; V315-L340 HydrophobicContact CB-CD1 4.01Å; V315-L340 HydrophobicContact CG1-CD1 4.12Å; V315-F341 PolarHBondContact O-N 3.34Å
316	E	98.8	Very high	97.7	Very high	53 Å²	53	31.7 Å²	31.7	25%	0.248	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	106.8	176.8	-69.4	175.1	-139.3	0	0	110.1	V290 N291 L292 S293 V314 H318 F341	V290-E316 PolarHBondContact O-N 3.45Å; N291-E316 HydrophobicContact CB-CB 4.45Å; N291-E316 PolarHBondContact ND2-OE2 3.2Å; N291-E316 PolarHBondContact OD1-OE2 2.99Å; L292-E316 CarbonylContact C-O 3.23Å; L292-E316 VanDerWaalsContact C-O 3.25Å; L292-E316 WeakPolarHBondContact CA-O 3.38Å; L292-E316 WeakPolarHBondContact CB-O 3.48Å; L292-E316 PolarHBondContact N-O 3Å; S293-E316 PolarHBondContact N-O 3.04Å; V314-E316 HydrophobicContact CG1-CG 4.21Å; E316-H318 IonicContact OE2-NE2 3.33Å; E316-H318 PolarHBondContact OE2-NE2 3.27Å; E316-F341 HydrophobicContact CG-CD2 3.75Å; E316-F341 HydrophobicContact CG-CE2 4.37Å
317	L	98.7	Very high	97.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.166	C	C	.	.			trans	-121.8	23.3	177	-77	166.5	0	0	0	111.3	L292 L298 I301 F306 V315 N320 L323 L340 F341 L342 N345	L292-L317 HydrophobicContact CB-CD2 3.81Å; L292-L317 HydrophobicContact CD1-CD2 3.93Å; L298-L317 HydrophobicContact CD2-CD2 4.16Å; I301-L317 HydrophobicContact CD1-CD2 3.77Å; I301-L317 HydrophobicContact CG1-CD1 4.38Å; I301-L317 HydrophobicContact CG1-CD2 4.28Å; F306-L317 HydrophobicContact CE2-CD1 4.44Å; V315-L317 HydrophobicContact CG1-CD1 3.76Å; V315-L317 HydrophobicContact CG1-CG 3.92Å; L317-N320 PolarHBondContact O-ND2 3.42Å; L317-L323 HydrophobicContact CB-CD2 4.29Å; L317-L323 HydrophobicContact CD2-CD2 4.44Å; L317-L340 HydrophobicContact CD1-CD1 4.4Å; L317-F341 CarbonylContact C-O 3.53Å; L317-F341 VanDerWaalsContact CA-O 3.26Å; L317-F341 WeakPolarHBondContact CA-O 3.22Å; L317-F341 WeakPolarHBondContact CB-O 3.46Å; L317-F341 PolarHBondContact N-O 3.21Å; L317-L342 HydrophobicContact CB-CD2 3.71Å; L317-L342 HydrophobicContact CD1-CD2 3.97Å; L317-N345 PolarHBondContact O-ND2 3.08Å; L317-N345 PolarHBondContact O-OD1 3.05Å
318	H	98.5	Very high	97.5	Very high	28 Å²	28	32.6 Å²	32.6	13%	0.13	17%	0.166	C	C	.	.			trans	-87.8	165.6	-177.4	64.1	89.5	0	0	0	113.4	S293 T294 E316 N320 F341 H343	S293-H318 WeakPolarHBondContact CA-O 3.18Å; S293-H318 WeakPolarHBondContact CB-O 3.39Å; T294-H318 PolarHBondContact N-O 3.39Å; T294-H318 VanDerWaalsContact N-O 3.12Å; E316-H318 IonicContact OE2-NE2 3.33Å; E316-H318 PolarHBondContact OE2-NE2 3.27Å; H318-N320 PolarHBondContact O-N 3.27Å; H318-N320 PolarHBondContact O-ND2 3.1Å; H318-F341 HydrophobicContact CB-CB 4.36Å; H318-F341 PolarHBondContact N-O 3.23Å; H318-H343 VanDerWaalsContact CA-O 3.22Å; H318-H343 WeakPolarHBondContact CA-O 3.22Å; H318-H343 WeakPolarHBondContact CB-CE1 3.49Å; H318-H343 WeakPolarHBondContact CB-NE2 3.33Å; H318-H343 WeakPolarHBondContact CB-O 3.16Å; H318-H343 AromaticContact CD2-CE1 3.89Å; H318-H343 AromaticContact CG-CE1 3.4Å; H318-H343 VanDerWaalsContact CG-CE1 3.4Å; H318-H343 AromaticContact CG-NE2 3.48Å; H318-H343 AromaticContact ND1-CE1 3.87Å; H318-H343 AromaticContact ND1-NE2 3.55Å
319	D	98.6	Very high	97.4	Very high	54 Å²	54	31.2 Å²	31.2	29%	0.289	16%	0.158	S	C	.	.	S	Bend	trans	57.2	32.9	179.3	-58.7	-55.8	0	0	0	113.7	T294 P321 H343 N344	T294-D319 VanDerWaalsContact CA-O 3.23Å; T294-D319 WeakPolarHBondContact CA-O 3.17Å; T294-D319 PolarHBondContact N-O 3.49Å; D319-P321 VanDerWaalsContact O-CD 3.25Å; D319-P321 WeakPolarHBondContact O-CD 3.36Å; D319-H343 PolarHBondContact N-O 2.74Å; D319-H343 VanDerWaalsContact N-O 3.1Å; D319-N344 WeakPolarHBondContact CA-O 3.23Å; D319-N344 WeakPolarHBondContact OD1-CB 3.33Å; D319-N344 PolarHBondContact OD1-ND2 3.17Å
320	N	98.6	Very high	97.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.158	C	C	.	.			trans	-103.8	91.1	175.2	-57.8	-54	0	0	0	109.5	L292 T294 M295 L298 L317 H318 Y322 L323 N344 N345	L292-N320 PolarHBondContact O-ND2 2.82Å; L292-N320 PolarHBondContact O-OD1 3.36Å; T294-N320 PolarHBondContact N-OD1 3.25Å; M295-N320 WeakPolarHBondContact CA-OD1 3.39Å; M295-N320 WeakPolarHBondContact CB-OD1 3.27Å; M295-N320 WeakPolarHBondContact CG-OD1 3.33Å; M295-N320 PolarHBondContact N-OD1 3.13Å; L298-N320 HydrophobicContact CB-CB 4.48Å; L298-N320 HydrophobicContact CD2-CB 4.39Å; L317-N320 PolarHBondContact O-ND2 3.42Å; H318-N320 PolarHBondContact O-N 3.27Å; H318-N320 PolarHBondContact O-ND2 3.1Å; N320-Y322 PolarHBondContact O-N 3.36Å; N320-L323 HydrophobicContact CB-CB 3.65Å; N320-L323 HydrophobicContact CB-CD2 4.26Å; N320-L323 WeakPolarHBondContact O-CB 3.4Å; N320-L323 PolarHBondContact O-N 3.34Å; N320-N344 PolarHBondContact N-O 3.24Å; N320-N345 VanDerWaalsContact CA-OD1 3.23Å; N320-N345 WeakPolarHBondContact CA-OD1 3.36Å; N320-N345 WeakPolarHBondContact CB-OD1 3.39Å; N320-N345 PolarHBondContact N-OD1 3.27Å; N320-N345 WeakPolarHBondContact O-CA 3.25Å; N320-N345 PolarHBondContact O-OD1 2.9Å; N320-N345 VanDerWaalsContact O-OD1 3.07Å
321	P	97.4	Very high	97.4	Very high	57 Å²	57	28.5 Å²	28.5	37%	0.37	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-11.9	-165.8	25.5	-36.3	0	0	0	115.1	D319 N346	D319-P321 VanDerWaalsContact O-CD 3.25Å; D319-P321 WeakPolarHBondContact O-CD 3.36Å; P321-N346 WeakPolarHBondContact O-CB 3.33Å
322	Y	96.1	Very high	97.4	Very high	131 Å²	131	28.9 Å²	28.9	51%	0.514	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-2.8	177.3	-61.1	-72.7	0	0	0	113.7	Q296 L298 R299 N320 G324	Q296-Y322 VanDerWaalsContact O-CD2 3.23Å; Q296-Y322 WeakPolarHBondContact O-CD2 3.22Å; Q296-Y322 WeakPolarHBondContact O-CE2 3.13Å; L298-Y322 CarbonylContact O-C 3.57Å; R299-Y322 WeakPolarHBondContact CA-O 3.25Å; N320-Y322 PolarHBondContact O-N 3.36Å; Y322-G324 PolarHBondContact O-N 2.97Å
323	L	97.3	Very high	97.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.171	C	C	.	.			trans	-69.4	100.9	-178.2	174.7	57.6	0	0	0	108.8	L298 I301 L317 N320 V326 N345 N346 L347	L298-L323 HydrophobicContact CD2-CD2 4.36Å; L298-L323 HydrophobicContact CG-CD1 4.34Å; L298-L323 WeakPolarHBondContact O-CA 3.25Å; L298-L323 PolarHBondContact O-N 2.95Å; I301-L323 HydrophobicContact CG1-CD1 4.15Å; L317-L323 HydrophobicContact CB-CD2 4.29Å; L317-L323 HydrophobicContact CD2-CD2 4.44Å; N320-L323 HydrophobicContact CB-CB 3.65Å; N320-L323 HydrophobicContact CB-CD2 4.26Å; N320-L323 WeakPolarHBondContact O-CB 3.4Å; N320-L323 PolarHBondContact O-N 3.34Å; L323-V326 HydrophobicContact CD1-CG2 4.42Å; L323-N345 HydrophobicContact CB-CB 4.24Å; L323-N346 CarbonylContact O-C 3.51Å; L323-N346 WeakPolarHBondContact O-CA 3.38Å; L323-N346 PolarHBondContact O-N 3.17Å; L323-L347 HydrophobicContact CG-CD2 4.26Å; L323-L347 PolarHBondContact O-N 3.5Å
324	G	95.6	Very high	97.1	Very high	16 Å²	16	30.9 Å²	30.9	17%	0.165	16%	0.157	C	C	.	.			trans	-111.9	-6.7	-173.3	0	0	0	0	0	114.5	R299 Y322 N346	R299-G324 PolarHBondContact O-N 2.78Å; Y322-G324 PolarHBondContact O-N 2.97Å; G324-N346 WeakPolarHBondContact CA-O 3.4Å
325	Y	96.3	Very high	96.9	Very high	7 Å²	7	32.3 Å²	32.3	3%	0.027	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	132.7	-179.7	-172.9	-114.1	0	0	0	113	R299 L300 I301 D327 E351 L428 R448 V450	R299-Y325 PolarHBondContact O-N 3.5Å; L300-Y325 CarbonylContact C-O 3.53Å; L300-Y325 WeakPolarHBondContact CA-O 3.34Å; L300-Y325 HydrophobicContact CB-CD1 4.39Å; I301-Y325 PolarHBondContact N-O 3.4Å; Y325-D327 HydrophobicContact CE1-CB 3.95Å; Y325-E351 WeakPolarHBondContact CE2-OE2 3.37Å; Y325-E351 PolarHBondContact OH-OE2 3.07Å; Y325-E351 VanDerWaalsContact OH-OE2 3.1Å; Y325-L428 HydrophobicContact CD2-CD1 3.26Å; Y325-L428 HydrophobicContact CE2-CD1 4.1Å; Y325-L428 HydrophobicContact CG-CD1 3.76Å; Y325-R448 HydrophobicContact CD1-CB 3.87Å; Y325-R448 HydrophobicContact CD1-CG 3.54Å; Y325-R448 HydrophobicContact CD2-CB 4.34Å; Y325-R448 HydrophobicContact CE1-CB 4.06Å; Y325-R448 HydrophobicContact CE1-CG 3.84Å; Y325-R448 HydrophobicContact CG-CB 4.01Å; Y325-R448 HydrophobicContact CG-CG 4.1Å; Y325-V450 HydrophobicContact CE2-CG1 4.04Å
326	V	97	Very high	96.8	Very high	7 Å²	7	34.1 Å²	34.1	4%	0.042	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	118.8	167.3	176.3	0	0	0	0	106.5	I301 L323 R328 S330 L342 L347 V354	I301-V326 HydrophobicContact CB-CG1 4.32Å; I301-V326 HydrophobicContact CB-CG2 4.42Å; I301-V326 HydrophobicContact CG1-CG2 4.1Å; L323-V326 HydrophobicContact CD1-CG2 4.42Å; V326-R328 PolarHBondContact O-N 3.48Å; V326-S330 WeakPolarHBondContact CG1-OG 3.38Å; V326-L342 HydrophobicContact CG2-CD2 4.2Å; V326-L347 HydrophobicContact CG2-CD2 4.12Å; V326-V354 HydrophobicContact CG1-CG1 4.21Å; V326-V354 HydrophobicContact CG1-CG2 4.34Å
327	D	95.9	Very high	96.8	Very high	9 Å²	9	31.6 Å²	31.6	5%	0.048	17%	0.167	C	C	.	.			trans	-60.3	136.9	-179.3	-171.3	-78.1	0	0	0	111.2	I301 R303 Y325 L329 S330	I301-D327 WeakPolarHBondContact O-CB 3.26Å; I301-D327 PolarHBondContact O-N 3.44Å; R303-D327 HydrophobicContact CB-CB 4.49Å; R303-D327 WeakPolarHBondContact CB-OD1 3.01Å; Y325-D327 HydrophobicContact CE1-CB 3.95Å; D327-L329 PolarHBondContact O-N 3.04Å; D327-L329 WeakPolarHBondContact OD1-CA 3.31Å; D327-L329 PolarHBondContact OD1-N 3.32Å; D327-S330 WeakPolarHBondContact O-CB 3.49Å; D327-S330 PolarHBondContact O-N 3.11Å; D327-S330 PolarHBondContact O-OG 3.13Å
328	R	95.3	Very high	96.7	Very high	78 Å²	78	32.1 Å²	32.1	29%	0.294	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-20.5	178.9	65.4	172.4	-171.4	148.1	-4	115	V326 E351 E353	V326-R328 PolarHBondContact O-N 3.48Å; R328-E351 HydrophobicContact CB-CB 3.86Å; R328-E351 HydrophobicContact CB-CG 4.43Å; R328-E353 HydrophobicContact CB-CB 4.22Å; R328-E353 IonicContact CZ-OE1 3.44Å; R328-E353 IonicContact NH1-OE1 3.26Å; R328-E353 PolarHBondContact NH1-OE1 3.17Å; R328-E353 CarbonylContact O-C 3.56Å
329	L	95.2	Very high	96.7	Very high	23 Å²	23	33 Å²	33	12%	0.12	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.6	29.4	174.3	-61.2	-180	0	0	0	111.6	R303 G304 D327 F331 V332 R357	R303-L329 HydrophobicContact CG-CB 3.92Å; G304-L329 PolarHBondContact N-O 2.94Å; D327-L329 PolarHBondContact O-N 3.04Å; D327-L329 WeakPolarHBondContact OD1-CA 3.31Å; D327-L329 PolarHBondContact OD1-N 3.32Å; L329-F331 VanDerWaalsContact C-N 3.28Å; L329-F331 PolarHBondContact O-N 3.38Å; L329-V332 VanDerWaalsContact O-CG2 3.32Å; L329-V332 WeakPolarHBondContact O-CG2 3.48Å; L329-R357 VanDerWaalsContact CD2-NE 3.25Å
330	S	97	Very high	96.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	-61.9	-35.2	175.2	50	0	0	0	0	112.8	A305 F306 V326 D327	A305-S330 PolarHBondContact N-O 2.92Å; F306-S330 PolarHBondContact N-O 3.17Å; V326-S330 WeakPolarHBondContact CG1-OG 3.38Å; D327-S330 WeakPolarHBondContact O-CB 3.49Å; D327-S330 PolarHBondContact O-N 3.11Å; D327-S330 PolarHBondContact O-OG 3.13Å
331	F	97.6	Very high	96.7	Very high	6 Å²	6	32.4 Å²	32.4	3%	0.026	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	116.3	175.1	-64.4	-76.5	0	0	0	111	F306 L312 V315 L329 V337 L340 V354 L358	F306-F331 HydrophobicContact CB-CD1 3.67Å; F306-F331 HydrophobicContact CB-CE1 3.91Å; F306-F331 AromaticContact CD2-CD1 3.87Å; F306-F331 HydrophobicContact CD2-CD1 3.87Å; F306-F331 AromaticContact CD2-CE1 3.38Å; F306-F331 HydrophobicContact CD2-CE1 3.38Å; F306-F331 AromaticContact CD2-CZ 3.76Å; F306-F331 HydrophobicContact CD2-CZ 3.76Å; F306-F331 HydrophobicContact CE2-CE1 4.03Å; F306-F331 HydrophobicContact CE2-CZ 4.05Å; F306-F331 HydrophobicContact CG-CD1 4.03Å; F306-F331 AromaticContact CG-CE1 3.73Å; F306-F331 HydrophobicContact CG-CE1 3.73Å; L312-F331 HydrophobicContact CD2-CE1 4.43Å; V315-F331 HydrophobicContact CG1-CZ 4.28Å; V315-F331 HydrophobicContact CG2-CE1 4.04Å; V315-F331 HydrophobicContact CG2-CZ 4.46Å; L329-F331 VanDerWaalsContact C-N 3.28Å; L329-F331 PolarHBondContact O-N 3.38Å; F331-V337 HydrophobicContact CD1-CG2 4.47Å; F331-L340 HydrophobicContact CE2-CD1 4.35Å; F331-L340 HydrophobicContact CE2-CD2 4.28Å; F331-L340 HydrophobicContact CZ-CD1 3.96Å; F331-V354 HydrophobicContact CD2-CG1 4.1Å; F331-V354 HydrophobicContact CE2-CG1 4.08Å; F331-L358 HydrophobicContact CB-CD2 3.98Å; F331-L358 HydrophobicContact CD2-CD1 4.42Å; F331-L358 HydrophobicContact CG-CD2 4.19Å
332	V	96.7	Very high	96.7	Very high	51 Å²	51	29.7 Å²	29.7	31%	0.309	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	119.9	-179.4	179.8	0	0	0	0	109.6	F306 K307 N308 L329	F306-V332 PolarHBondContact O-N 3.45Å; K307-V332 CarbonylContact C-O 3.53Å; K307-V332 VanDerWaalsContact CA-O 3.26Å; K307-V332 WeakPolarHBondContact CA-O 3.22Å; K307-V332 HydrophobicContact CB-CB 4.4Å; K307-V332 HydrophobicContact CG-CB 4.12Å; K307-V332 HydrophobicContact CG-CG1 4.22Å; N308-V332 PolarHBondContact N-O 3.12Å; L329-V332 VanDerWaalsContact O-CG2 3.32Å; L329-V332 WeakPolarHBondContact O-CG2 3.48Å
333	N	95.7	Very high	96.8	Very high	102 Å²	102	24.4 Å²	24.4	55%	0.545	13%	0.132	S	C	.	.	S	Bend	trans	55.5	52.9	-178	-171	29	0	0	0	112	N308 L309 P335	N308-N333 WeakPolarHBondContact CA-O 3.5Å; N308-N333 WeakPolarHBondContact OD1-CB 3.33Å; N308-N333 PolarHBondContact OD1-ND2 3.28Å; L309-N333 PolarHBondContact N-O 3.17Å; L309-N333 VanDerWaalsContact N-O 3.12Å; N333-P335 VanDerWaalsContact C-CD 3.47Å
334	T	96.5	Very high	96.8	Very high	6 Å²	6	27.2 Å²	27.2	4%	0.037	15%	0.147	C	C	.	.			trans	-128.1	62.6	179.5	59.1	0	0	0	0	110.6	F306 L309 L312 S336	F306-T334 HydrophobicContact CB-CG2 4.36Å; F306-T334 VanDerWaalsContact O-CG2 3.27Å; F306-T334 WeakPolarHBondContact O-CG2 3.13Å; L309-T334 HydrophobicContact CB-CG2 3.87Å; L309-T334 HydrophobicContact CG-CG2 4.48Å; L312-T334 HydrophobicContact CD2-CG2 4.49Å; T334-S336 PolarHBondContact O-N 3.15Å
335	P	93.9	Very high	96.9	Very high	51 Å²	51	26.9 Å²	26.9	33%	0.331	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-20.1	-168.1	28	-36.8	0	0	0	114.3	N333 N360	N333-P335 VanDerWaalsContact C-CD 3.47Å; P335-N360 WeakPolarHBondContact O-CB 3.48Å; P335-N360 PolarHBondContact O-ND2 2.97Å
336	S	96.8	Very high	97	Very high	38 Å²	38	30.1 Å²	30.1	27%	0.266	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-5.9	-171.4	-63.4	0	0	0	0	115	P310 L312 T334 S338	P310-S336 VanDerWaalsContact O-CB 3.27Å; P310-S336 WeakPolarHBondContact O-CB 3.12Å; P310-S336 PolarHBondContact O-OG 3.38Å; L312-S336 CarbonylContact O-C 3.43Å; L312-S336 WeakPolarHBondContact O-CB 3.23Å; T334-S336 PolarHBondContact O-N 3.15Å; S336-S338 PolarHBondContact O-N 2.84Å; S336-S338 PolarHBondContact O-OG 3.42Å
337	V	98	Very high	96.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.158	C	C	.	.			trans	-60.1	118.5	-174.1	179.3	0	0	0	0	109	L312 F331 L358 N360 L361	L312-V337 HydrophobicContact CB-CG2 4.24Å; L312-V337 HydrophobicContact CD2-CG2 3.82Å; L312-V337 HydrophobicContact CG-CG2 3.99Å; L312-V337 WeakPolarHBondContact O-CA 3.14Å; L312-V337 PolarHBondContact O-N 2.95Å; F331-V337 HydrophobicContact CD1-CG2 4.47Å; V337-L358 HydrophobicContact CB-CD1 4.3Å; V337-L358 HydrophobicContact CB-CD2 4.05Å; V337-L358 HydrophobicContact CG1-CD1 4.04Å; V337-L358 HydrophobicContact CG2-CD2 4.21Å; V337-N360 CarbonylContact O-C 3.4Å; V337-L361 HydrophobicContact CG1-CD1 4.2Å; V337-L361 VanDerWaalsContact O-CA 3.3Å; V337-L361 WeakPolarHBondContact O-CA 3.48Å; V337-L361 PolarHBondContact O-N 3.17Å; V337-L361 VanDerWaalsContact O-N 3.15Å
338	S	97.2	Very high	96.9	Very high	11 Å²	11	30.9 Å²	30.9	8%	0.077	17%	0.165	C	C	.	.			trans	-114.3	-31.4	-175.7	-63.4	0	0	0	0	112	L313 S336 Q362 E363	L313-S338 VanDerWaalsContact CD1-OG 3.32Å; L313-S338 WeakPolarHBondContact CD1-OG 3.32Å; L313-S338 PolarHBondContact O-N 3.35Å; S336-S338 PolarHBondContact O-N 2.84Å; S336-S338 PolarHBondContact O-OG 3.42Å; S338-Q362 PolarHBondContact O-N 2.82Å; S338-E363 PolarHBondContact O-N 3.19Å
339	H	98	Very high	96.9	Very high	46 Å²	46	27.6 Å²	27.6	21%	0.213	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	120.9	179.8	-54.4	-80.7	0	0	0	110.9	L313 V314 V315 F341 E363	L313-H339 PolarHBondContact O-N 3.35Å; V314-H339 HydrophobicContact CG1-CB 4.29Å; V314-H339 HydrophobicContact CG2-CB 4.24Å; V315-H339 PolarHBondContact N-O 3.12Å; H339-F341 HydrophobicContact CB-CE2 3.86Å; H339-F341 HydrophobicContact CB-CZ 3.89Å; H339-E363 IonicContact CE1-OE2 2.94Å; H339-E363 IonicContact ND1-OE2 3.03Å; H339-E363 PolarHBondContact ND1-OE2 2.8Å; H339-E363 VanDerWaalsContact ND1-OE2 3.15Å
340	L	98	Very high	96.9	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	107.7	177.5	177.9	58.6	0	0	0	110.3	V315 L317 F331 L342 V354 L358 L361 E363 V364 S365	V315-L340 HydrophobicContact CB-CD1 4.01Å; V315-L340 HydrophobicContact CG1-CD1 4.12Å; L317-L340 HydrophobicContact CD1-CD1 4.4Å; F331-L340 HydrophobicContact CE2-CD1 4.35Å; F331-L340 HydrophobicContact CE2-CD2 4.28Å; F331-L340 HydrophobicContact CZ-CD1 3.96Å; L340-L342 HydrophobicContact CD1-CD1 4.28Å; L340-L342 HydrophobicContact CD1-CG 4.14Å; L340-L342 HydrophobicContact CD2-CD1 3.83Å; L340-L342 HydrophobicContact CG-CD1 3.84Å; L340-L342 HydrophobicContact CG-CG 4.02Å; L340-V354 HydrophobicContact CD2-CG1 4.46Å; L340-L358 HydrophobicContact CD2-CD1 4.4Å; L340-L361 HydrophobicContact CB-CD1 3.92Å; L340-E363 PolarHBondContact N-O 2.77Å; L340-V364 HydrophobicContact CB-CG2 4.48Å; L340-V364 WeakPolarHBondContact O-CA 3.45Å; L340-S365 PolarHBondContact O-N 3.38Å
341	F	98.4	Very high	96.8	Very high	41 Å²	41	27 Å²	27	18%	0.18	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	111.7	-177.4	-55.6	-71	0	0	0	111.6	V314 V315 E316 L317 H318 H339 S365	V314-F341 HydrophobicContact CG1-CD2 4.21Å; V314-F341 HydrophobicContact CG1-CE2 3.8Å; V315-F341 PolarHBondContact O-N 3.34Å; E316-F341 HydrophobicContact CG-CD2 3.75Å; E316-F341 HydrophobicContact CG-CE2 4.37Å; L317-F341 CarbonylContact C-O 3.53Å; L317-F341 VanDerWaalsContact CA-O 3.26Å; L317-F341 WeakPolarHBondContact CA-O 3.22Å; L317-F341 WeakPolarHBondContact CB-O 3.46Å; L317-F341 PolarHBondContact N-O 3.21Å; H318-F341 HydrophobicContact CB-CB 4.36Å; H318-F341 PolarHBondContact N-O 3.23Å; H339-F341 HydrophobicContact CB-CE2 3.86Å; H339-F341 HydrophobicContact CB-CZ 3.89Å; F341-S365 VanDerWaalsContact CA-OG 3.23Å; F341-S365 WeakPolarHBondContact CA-OG 3.33Å; F341-S365 WeakPolarHBondContact CD1-OG 3.44Å
342	L	98.2	Very high	96.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.17	C	C	.	.			trans	-126.5	14.3	-175.7	-71.3	167.6	0	0	0	112.7	L317 V326 L340 N345 L347 V350 S365 L366 N369	L317-L342 HydrophobicContact CB-CD2 3.71Å; L317-L342 HydrophobicContact CD1-CD2 3.97Å; V326-L342 HydrophobicContact CG2-CD2 4.2Å; L340-L342 HydrophobicContact CD1-CD1 4.28Å; L340-L342 HydrophobicContact CD1-CG 4.14Å; L340-L342 HydrophobicContact CD2-CD1 3.83Å; L340-L342 HydrophobicContact CG-CD1 3.84Å; L340-L342 HydrophobicContact CG-CG 4.02Å; L342-N345 PolarHBondContact O-ND2 3.4Å; L342-L347 HydrophobicContact CB-CD1 4.05Å; L342-L347 HydrophobicContact CD2-CD1 4.13Å; L342-V350 HydrophobicContact CD1-CG2 4.49Å; L342-S365 CarbonylContact C-O 3.05Å; L342-S365 VanDerWaalsContact CA-O 3.26Å; L342-S365 WeakPolarHBondContact CA-O 3.44Å; L342-S365 WeakPolarHBondContact CB-O 3.36Å; L342-S365 PolarHBondContact N-O 3.36Å; L342-S365 PolarHBondContact N-OG 2.89Å; L342-L366 HydrophobicContact CB-CD2 3.63Å; L342-L366 HydrophobicContact CB-CG 4.47Å; L342-L366 HydrophobicContact CD1-CD2 4.04Å; L342-N369 PolarHBondContact O-ND2 3.13Å
343	H	98.1	Very high	96.4	Very high	19 Å²	19	31.6 Å²	31.6	9%	0.088	17%	0.168	C	C	.	.			trans	-72.2	161.5	179.6	62.1	-90.7	0	0	0	112.9	H318 D319 N345 S365 Y367	H318-H343 VanDerWaalsContact CA-O 3.22Å; H318-H343 WeakPolarHBondContact CA-O 3.22Å; H318-H343 WeakPolarHBondContact CB-CE1 3.49Å; H318-H343 WeakPolarHBondContact CB-NE2 3.33Å; H318-H343 WeakPolarHBondContact CB-O 3.16Å; H318-H343 AromaticContact CD2-CE1 3.89Å; H318-H343 AromaticContact CG-CE1 3.4Å; H318-H343 VanDerWaalsContact CG-CE1 3.4Å; H318-H343 AromaticContact CG-NE2 3.48Å; H318-H343 AromaticContact ND1-CE1 3.87Å; H318-H343 AromaticContact ND1-NE2 3.55Å; D319-H343 PolarHBondContact N-O 2.74Å; D319-H343 VanDerWaalsContact N-O 3.1Å; H343-N345 VanDerWaalsContact C-N 3.34Å; H343-N345 PolarHBondContact O-N 3.48Å; H343-N345 PolarHBondContact O-ND2 3.32Å; H343-S365 PolarHBondContact N-O 3.41Å; H343-S365 VanDerWaalsContact N-O 3.13Å; H343-S365 WeakPolarHBondContact ND1-CB 3.41Å; H343-S365 PolarHBondContact ND1-OG 3.1Å; H343-Y367 CarbonylContact C-O 3.26Å; H343-Y367 WeakPolarHBondContact CA-O 3.45Å; H343-Y367 HydrophobicContact CB-CD1 3.64Å; H343-Y367 HydrophobicContact CB-CD2 3.87Å; H343-Y367 HydrophobicContact CB-CE1 3.44Å; H343-Y367 VanDerWaalsContact CB-CE1 3.44Å; H343-Y367 HydrophobicContact CB-CE2 3.69Å; H343-Y367 HydrophobicContact CB-CG 3.86Å; H343-Y367 VanDerWaalsContact CB-CZ 3.5Å; H343-Y367 VanDerWaalsContact CB-O 3.3Å; H343-Y367 WeakPolarHBondContact CB-O 3.47Å; H343-Y367 AromaticContact CD2-CE2 3.68Å; H343-Y367 AromaticContact CD2-CZ 3.36Å; H343-Y367 PolarHBondContact CD2-OH 3Å; H343-Y367 AromaticContact CG-CE1 3.6Å; H343-Y367 AromaticContact CG-CE2 3.86Å; H343-Y367 AromaticContact CG-CZ 3.36Å; H343-Y367 AromaticContact ND1-CZ 4Å; H343-Y367 PolarHBondContact NE2-OH 3Å
344	N	98.1	Very high	96.3	Very high	59 Å²	59	26.8 Å²	26.8	32%	0.316	14%	0.143	S	C	.	.	S	Bend	trans	53.6	45.1	178.2	-61.2	-19.5	0	0	0	113.8	D319 N320 Y367	D319-N344 WeakPolarHBondContact CA-O 3.23Å; D319-N344 WeakPolarHBondContact OD1-CB 3.33Å; D319-N344 PolarHBondContact OD1-ND2 3.17Å; N320-N344 PolarHBondContact N-O 3.24Å; N344-Y367 PolarHBondContact N-O 3.47Å
345	N	98.2	Very high	96.1	Very high	10 Å²	10	26.9 Å²	26.9	5%	0.053	14%	0.143	C	C	.	.	S	Bend	trans	-117	-166.8	176.4	-67.3	-46	0	0	0	110.9	L317 N320 L323 L342 H343 L347 N369	L317-N345 PolarHBondContact O-ND2 3.08Å; L317-N345 PolarHBondContact O-OD1 3.05Å; N320-N345 VanDerWaalsContact CA-OD1 3.23Å; N320-N345 WeakPolarHBondContact CA-OD1 3.36Å; N320-N345 WeakPolarHBondContact CB-OD1 3.39Å; N320-N345 PolarHBondContact N-OD1 3.27Å; N320-N345 WeakPolarHBondContact O-CA 3.25Å; N320-N345 PolarHBondContact O-OD1 2.9Å; N320-N345 VanDerWaalsContact O-OD1 3.07Å; L323-N345 HydrophobicContact CB-CB 4.24Å; L342-N345 PolarHBondContact O-ND2 3.4Å; H343-N345 VanDerWaalsContact C-N 3.34Å; H343-N345 PolarHBondContact O-N 3.48Å; H343-N345 PolarHBondContact O-ND2 3.32Å; N345-L347 HydrophobicContact CB-CD1 4.26Å; N345-L347 HydrophobicContact CB-CG 4.05Å; N345-N369 WeakPolarHBondContact CA-OD1 3.17Å; N345-N369 WeakPolarHBondContact CB-OD1 3.36Å; N345-N369 PolarHBondContact N-OD1 3.48Å; N345-N369 PolarHBondContact O-OD1 3.07Å
346	N	96.8	Very high	95.8	Very high	75 Å²	75	29.9 Å²	29.9	40%	0.401	16%	0.156	S	C	.	.			trans	-112	28.5	176.2	-165.1	33.5	0	0	0	111.9	P321 L323 G324 T348 P370	P321-N346 WeakPolarHBondContact O-CB 3.33Å; L323-N346 CarbonylContact O-C 3.51Å; L323-N346 WeakPolarHBondContact O-CA 3.38Å; L323-N346 PolarHBondContact O-N 3.17Å; G324-N346 WeakPolarHBondContact CA-O 3.4Å; N346-T348 PolarHBondContact O-N 2.81Å; N346-P370 WeakPolarHBondContact OD1-CG 3.38Å
347	L	96.5	Very high	95.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.168	C	C	.	.			trans	-72.4	122.9	-176.3	-61	168.4	0	0	0	109.7	L323 V326 L342 N345 V350 L366 N369 P370	L323-L347 HydrophobicContact CG-CD2 4.26Å; L323-L347 PolarHBondContact O-N 3.5Å; V326-L347 HydrophobicContact CG2-CD2 4.12Å; L342-L347 HydrophobicContact CB-CD1 4.05Å; L342-L347 HydrophobicContact CD2-CD1 4.13Å; N345-L347 HydrophobicContact CB-CD1 4.26Å; N345-L347 HydrophobicContact CB-CG 4.05Å; L347-V350 HydrophobicContact CD1-CG2 4.14Å; L347-L366 HydrophobicContact CD1-CD2 4.39Å; L347-N369 HydrophobicContact CB-CB 4.38Å; L347-N369 VanDerWaalsContact CB-OD1 3.28Å; L347-N369 WeakPolarHBondContact CB-OD1 3.1Å; L347-N369 PolarHBondContact N-OD1 3.14Å; L347-P370 CarbonylContact O-C 3.59Å; L347-P370 WeakPolarHBondContact O-CD 3.34Å
348	T	95.2	Very high	95.1	Very high	32 Å²	32	35 Å²	35	20%	0.196	17%	0.169	C	C	.	.	S	Bend	trans	-86.9	-17.2	170.8	64.3	0	0	0	0	112.4	N346 P370 R372 R426	N346-T348 PolarHBondContact O-N 2.81Å; T348-P370 WeakPolarHBondContact CA-O 3.15Å; T348-R372 PolarHBondContact O-N 2.82Å; T348-R426 PolarHBondContact OG1-NH1 3.21Å; T348-R426 PolarHBondContact OG1-NH2 2.86Å; T348-R426 VanDerWaalsContact OG1-NH2 3.13Å
349	T	94.7	Very high	94.7	Very high	8 Å²	8	40.1 Å²	40.1	5%	0.049	20%	0.196	C	C	.	.			trans	-163.6	162.1	179.5	-171.9	0	0	0	0	109.8	N376 V450	T349-N376 HydrophobicContact CG2-CB 4.39Å; T349-N376 VanDerWaalsContact OG1-CB 3.23Å; T349-N376 WeakPolarHBondContact OG1-CB 3.15Å; T349-V450 HydrophobicContact CG2-CB 4.23Å; T349-V450 HydrophobicContact CG2-CG1 3.79Å; T349-V450 HydrophobicContact CG2-CG2 4.1Å
350	V	95.1	Very high	94.5	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.018	21%	0.206	C	C	.	.			trans	-132.3	115.7	165.7	177.5	0	0	0	0	105.7	L342 L347 V354 I355 L366 W379	L342-V350 HydrophobicContact CD1-CG2 4.49Å; L347-V350 HydrophobicContact CD1-CG2 4.14Å; V350-V354 HydrophobicContact CG1-CB 3.99Å; V350-V354 HydrophobicContact CG1-CG1 4.19Å; V350-V354 HydrophobicContact CG1-CG2 4.18Å; V350-I355 HydrophobicContact CG1-CD1 4.28Å; V350-L366 HydrophobicContact CG2-CD2 3.75Å; V350-W379 PolarHBondContact O-NE1 3.37Å
351	E	94.5	Very high	94.3	Very high	8 Å²	8	41.6 Å²	41.6	4%	0.037	21%	0.206	C	C	.	.			trans	-65.2	146.9	-179.9	-64.5	173.5	89.7	0	0	110	Y325 R328 E353 V354 V450 Q454	Y325-E351 WeakPolarHBondContact CE2-OE2 3.37Å; Y325-E351 PolarHBondContact OH-OE2 3.07Å; Y325-E351 VanDerWaalsContact OH-OE2 3.1Å; R328-E351 HydrophobicContact CB-CB 3.86Å; R328-E351 HydrophobicContact CB-CG 4.43Å; E351-E353 VanDerWaalsContact C-N 3.28Å; E351-E353 PolarHBondContact O-N 2.99Å; E351-V354 WeakPolarHBondContact O-CB 3.27Å; E351-V354 WeakPolarHBondContact O-CG2 3.47Å; E351-V354 PolarHBondContact O-N 3.48Å; E351-V450 HydrophobicContact CG-CG1 4.49Å; E351-Q454 PolarHBondContact OE1-NE2 3.37Å; E351-Q454 VanDerWaalsContact OE1-NE2 3.16Å; E351-Q454 PolarHBondContact OE1-OE1 2.83Å
352	E	92.8	Very high	94.1	Very high	98 Å²	98	44.5 Å²	44.5	46%	0.458	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-38.8	-172.6	-173.1	166.4	-161.9	0	0	112.3	V354 I355 D356 W379	E352-V354 PolarHBondContact O-N 3.29Å; E352-V354 VanDerWaalsContact O-N 3.12Å; E352-I355 PolarHBondContact O-N 2.92Å; E352-D356 HydrophobicContact CG-CB 4.34Å; E352-D356 PolarHBondContact O-N 3.34Å; E352-W379 HydrophobicContact CB-CB 4.16Å; E352-W379 HydrophobicContact CB-CD2 3.89Å; E352-W379 HydrophobicContact CB-CG 3.62Å; E352-W379 VanDerWaalsContact CD-CB 3.45Å; E352-W379 HydrophobicContact CG-CB 3.94Å; E352-W379 HydrophobicContact CG-CD2 3.86Å; E352-W379 HydrophobicContact CG-CE3 4.13Å; E352-W379 HydrophobicContact CG-CG 3.76Å
353	E	93.1	Very high	94	Very high	56 Å²	56	46.4 Å²	46.4	26%	0.262	23%	0.229	S	C	.	.	H	α-helix	trans	-66.8	-16	-176.3	-54.4	98.4	126.4	0	0	113.9	R328 E351 I355 R357	R328-E353 HydrophobicContact CB-CB 4.22Å; R328-E353 IonicContact CZ-OE1 3.44Å; R328-E353 IonicContact NH1-OE1 3.26Å; R328-E353 PolarHBondContact NH1-OE1 3.17Å; R328-E353 CarbonylContact O-C 3.56Å; E351-E353 VanDerWaalsContact C-N 3.28Å; E351-E353 PolarHBondContact O-N 2.99Å; E353-I355 PolarHBondContact O-N 2.8Å; E353-R357 WeakPolarHBondContact O-CD 3.31Å; E353-R357 WeakPolarHBondContact O-CG 3.12Å
354	V	94.8	Very high	93.8	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.006	23%	0.225	C	C	.	.	H	α-helix	trans	-63.2	-36.2	170.9	-179.3	0	0	0	0	110.5	V326 F331 L340 V350 E351 E352 L358	V326-V354 HydrophobicContact CG1-CG1 4.21Å; V326-V354 HydrophobicContact CG1-CG2 4.34Å; F331-V354 HydrophobicContact CD2-CG1 4.1Å; F331-V354 HydrophobicContact CE2-CG1 4.08Å; L340-V354 HydrophobicContact CD2-CG1 4.46Å; V350-V354 HydrophobicContact CG1-CB 3.99Å; V350-V354 HydrophobicContact CG1-CG1 4.19Å; V350-V354 HydrophobicContact CG1-CG2 4.18Å; E351-V354 WeakPolarHBondContact O-CB 3.27Å; E351-V354 WeakPolarHBondContact O-CG2 3.47Å; E351-V354 PolarHBondContact O-N 3.48Å; E352-V354 PolarHBondContact O-N 3.29Å; E352-V354 VanDerWaalsContact O-N 3.12Å; V354-L358 WeakPolarHBondContact O-CD1 3.35Å; V354-L358 WeakPolarHBondContact O-CG 3.34Å
355	I	92.3	Very high	93.7	Very high	8 Å²	8	42.8 Å²	42.8	4%	0.041	21%	0.21	C	C	.	.	H	α-helix	trans	-104.1	-39.9	-172.1	-76.2	169.1	0	0	0	111.8	V350 E352 E353 R357 L358 L361 V364 W379 I390	V350-I355 HydrophobicContact CG1-CD1 4.28Å; E352-I355 PolarHBondContact O-N 2.92Å; E353-I355 PolarHBondContact O-N 2.8Å; I355-R357 PolarHBondContact O-N 3.28Å; I355-R357 VanDerWaalsContact O-N 3.17Å; I355-L358 WeakPolarHBondContact O-CB 2.87Å; I355-L358 PolarHBondContact O-N 2.87Å; I355-L361 HydrophobicContact CB-CD2 4.31Å; I355-L361 HydrophobicContact CG1-CD2 3.99Å; I355-L361 HydrophobicContact CG2-CD2 3.78Å; I355-V364 HydrophobicContact CD1-CG1 4.39Å; I355-V364 HydrophobicContact CD1-CG2 4.4Å; I355-W379 HydrophobicContact CB-CH2 4.06Å; I355-W379 HydrophobicContact CB-CZ3 4.39Å; I355-W379 HydrophobicContact CD1-CH2 3.37Å; I355-W379 HydrophobicContact CD1-CZ2 3.96Å; I355-W379 HydrophobicContact CD1-CZ3 4.34Å; I355-W379 HydrophobicContact CG1-CH2 4.24Å; I355-W379 HydrophobicContact CG2-CH2 4.19Å; I355-W379 HydrophobicContact CG2-CZ3 4.13Å; I355-I390 HydrophobicContact CG2-CD1 3.61Å
356	D	88	Confident	93.6	Very high	113 Å²	113	42.3 Å²	42.3	60%	0.604	21%	0.208	S	C	*	.	H	α-helix	trans	-60.7	-27.3	-178.7	-171.7	52.9	0	0	0	112.9	E352 L358	E352-D356 HydrophobicContact CG-CB 4.34Å; E352-D356 PolarHBondContact O-N 3.34Å; D356-L358 VanDerWaalsContact C-N 3.26Å; D356-L358 PolarHBondContact O-N 3.4Å
357	R	85.7	Confident	93.5	Very high	141 Å²	141	39.9 Å²	39.9	53%	0.532	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-4.5	176.2	-67.9	179.9	176	-88.3	-4.8	114.4	L329 E353 I355	L329-R357 VanDerWaalsContact CD2-NE 3.25Å; E353-R357 WeakPolarHBondContact O-CD 3.31Å; E353-R357 WeakPolarHBondContact O-CG 3.12Å; I355-R357 PolarHBondContact O-N 3.28Å; I355-R357 VanDerWaalsContact O-N 3.17Å
358	L	92.7	Very high	93.5	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.021	22%	0.216	C	C	.	.			trans	-107.1	75.8	-174.9	-56.1	-178.8	0	0	0	110.4	F331 V337 L340 V354 I355 D356 N360 L361	F331-L358 HydrophobicContact CB-CD2 3.98Å; F331-L358 HydrophobicContact CD2-CD1 4.42Å; F331-L358 HydrophobicContact CG-CD2 4.19Å; V337-L358 HydrophobicContact CB-CD1 4.3Å; V337-L358 HydrophobicContact CB-CD2 4.05Å; V337-L358 HydrophobicContact CG1-CD1 4.04Å; V337-L358 HydrophobicContact CG2-CD2 4.21Å; L340-L358 HydrophobicContact CD2-CD1 4.4Å; V354-L358 WeakPolarHBondContact O-CD1 3.35Å; V354-L358 WeakPolarHBondContact O-CG 3.34Å; I355-L358 WeakPolarHBondContact O-CB 2.87Å; I355-L358 PolarHBondContact O-N 2.87Å; D356-L358 VanDerWaalsContact C-N 3.26Å; D356-L358 PolarHBondContact O-N 3.4Å; L358-N360 PolarHBondContact O-N 3.19Å; L358-L361 HydrophobicContact CB-CB 3.86Å; L358-L361 HydrophobicContact CB-CD2 4.34Å; L358-L361 HydrophobicContact CD1-CD1 4.16Å; L358-L361 HydrophobicContact CD1-CD2 4.21Å; L358-L361 VanDerWaalsContact O-CB 3.25Å; L358-L361 WeakPolarHBondContact O-CB 3.37Å; L358-L361 PolarHBondContact O-N 2.85Å
359	D	89.4	Confident	93.6	Very high	119 Å²	119	41.2 Å²	41.2	64%	0.636	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-23.1	-174.2	-65.6	-45.1	0	0	0	115	R389	D359-R389 PolarHBondContact O-NE 3.05Å; D359-R389 PolarHBondContact O-NH2 2.7Å
360	N	93.7	Very high	93.7	Very high	78 Å²	78	42.3 Å²	42.3	42%	0.417	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-2.4	179.5	-72.7	-48.2	0	0	0	114.3	P335 V337 L358 Q362 R389	P335-N360 WeakPolarHBondContact O-CB 3.48Å; P335-N360 PolarHBondContact O-ND2 2.97Å; V337-N360 CarbonylContact O-C 3.4Å; L358-N360 PolarHBondContact O-N 3.19Å; N360-Q362 VanDerWaalsContact O-CG 3.27Å; N360-Q362 WeakPolarHBondContact O-CG 3.3Å; N360-Q362 PolarHBondContact O-N 3.4Å; N360-Q362 VanDerWaalsContact O-N 3.17Å; N360-R389 PolarHBondContact O-NH1 2.99Å
361	L	94.8	Very high	93.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.217	C	C	.	.			trans	-53.3	120.7	-176.9	-167.2	66	0	0	0	112	V337 L340 I355 L358 V364 R389 I390	V337-L361 HydrophobicContact CG1-CD1 4.2Å; V337-L361 VanDerWaalsContact O-CA 3.3Å; V337-L361 WeakPolarHBondContact O-CA 3.48Å; V337-L361 PolarHBondContact O-N 3.17Å; V337-L361 VanDerWaalsContact O-N 3.15Å; L340-L361 HydrophobicContact CB-CD1 3.92Å; I355-L361 HydrophobicContact CB-CD2 4.31Å; I355-L361 HydrophobicContact CG1-CD2 3.99Å; I355-L361 HydrophobicContact CG2-CD2 3.78Å; L358-L361 HydrophobicContact CB-CB 3.86Å; L358-L361 HydrophobicContact CB-CD2 4.34Å; L358-L361 HydrophobicContact CD1-CD1 4.16Å; L358-L361 HydrophobicContact CD1-CD2 4.21Å; L358-L361 VanDerWaalsContact O-CB 3.25Å; L358-L361 WeakPolarHBondContact O-CB 3.37Å; L358-L361 PolarHBondContact O-N 2.85Å; L361-V364 HydrophobicContact CD1-CG2 4.07Å; L361-V364 HydrophobicContact CD2-CG2 3.36Å; L361-V364 HydrophobicContact CG-CG2 3.79Å; L361-R389 VanDerWaalsContact O-CZ 3.25Å; L361-R389 PolarHBondContact O-NH1 2.78Å; L361-R389 PolarHBondContact O-NH2 2.75Å; L361-I390 HydrophobicContact CD2-CD1 4.11Å; L361-I390 HydrophobicContact CD2-CG1 4.49Å
362	Q	94.1	Very high	93.7	Very high	102 Å²	102	45.7 Å²	45.7	48%	0.477	23%	0.229	S	C	.	.			trans	-106.3	-37.1	-177.9	-58.4	-172	-0.5	0	0	111.2	S338 N360 T391	S338-Q362 PolarHBondContact O-N 2.82Å; N360-Q362 VanDerWaalsContact O-CG 3.27Å; N360-Q362 WeakPolarHBondContact O-CG 3.3Å; N360-Q362 PolarHBondContact O-N 3.4Å; N360-Q362 VanDerWaalsContact O-N 3.17Å; Q362-T391 WeakPolarHBondContact O-CB 3.2Å; Q362-T391 PolarHBondContact O-N 3.01Å
363	E	94.7	Very high	93.8	Very high	41 Å²	41	41 Å²	41	19%	0.192	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	134.3	-173.8	-169.4	176	-164.2	0	0	112.1	S338 H339 L340 T391 H393	S338-E363 PolarHBondContact O-N 3.19Å; H339-E363 IonicContact CE1-OE2 2.94Å; H339-E363 IonicContact ND1-OE2 3.03Å; H339-E363 PolarHBondContact ND1-OE2 2.8Å; H339-E363 VanDerWaalsContact ND1-OE2 3.15Å; L340-E363 PolarHBondContact N-O 2.77Å; E363-T391 VanDerWaalsContact CA-O 3.32Å; E363-T391 WeakPolarHBondContact CA-O 3.26Å; E363-H393 HydrophobicContact CG-CB 4.32Å; E363-H393 IonicContact OE1-CE1 2.7Å; E363-H393 IonicContact OE1-CG 3.26Å; E363-H393 IonicContact OE1-ND1 3.94Å; E363-H393 PolarHBondContact OE1-ND1 3.21Å
364	V	95.2	Very high	93.9	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	137.1	173.3	179	0	0	0	0	109.1	L340 I355 L361 L366 I390 T391 Y392 H393	L340-V364 HydrophobicContact CB-CG2 4.48Å; L340-V364 WeakPolarHBondContact O-CA 3.45Å; I355-V364 HydrophobicContact CD1-CG1 4.39Å; I355-V364 HydrophobicContact CD1-CG2 4.4Å; L361-V364 HydrophobicContact CD1-CG2 4.07Å; L361-V364 HydrophobicContact CD2-CG2 3.36Å; L361-V364 HydrophobicContact CG-CG2 3.79Å; V364-L366 HydrophobicContact CG1-CD1 3.85Å; V364-L366 HydrophobicContact CG1-CG 3.88Å; V364-I390 HydrophobicContact CB-CG2 4.2Å; V364-I390 HydrophobicContact CG2-CG2 3.75Å; V364-T391 PolarHBondContact N-O 3.07Å; V364-Y392 HydrophobicContact CB-CD1 4.45Å; V364-Y392 CarbonylContact O-C 3.53Å; V364-Y392 VanDerWaalsContact O-CA 3.32Å; V364-Y392 WeakPolarHBondContact O-CA 3.25Å; V364-H393 PolarHBondContact O-N 3.41Å
365	S	95.6	Very high	93.9	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.007	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	130.6	170.5	58.7	0	0	0	0	110.5	L340 F341 L342 H343	L340-S365 PolarHBondContact O-N 3.38Å; F341-S365 VanDerWaalsContact CA-OG 3.23Å; F341-S365 WeakPolarHBondContact CA-OG 3.33Å; F341-S365 WeakPolarHBondContact CD1-OG 3.44Å; L342-S365 CarbonylContact C-O 3.05Å; L342-S365 VanDerWaalsContact CA-O 3.26Å; L342-S365 WeakPolarHBondContact CA-O 3.44Å; L342-S365 WeakPolarHBondContact CB-O 3.36Å; L342-S365 PolarHBondContact N-O 3.36Å; L342-S365 PolarHBondContact N-OG 2.89Å; H343-S365 PolarHBondContact N-O 3.41Å; H343-S365 VanDerWaalsContact N-O 3.13Å; H343-S365 WeakPolarHBondContact ND1-CB 3.41Å; H343-S365 PolarHBondContact ND1-OG 3.1Å
366	L	95.8	Very high	94	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	20%	0.201	C	C	.	.			trans	-138.1	1.3	-175.6	-77.7	167	0	0	0	113.8	L342 L347 V350 V364 N369 M380 M398	L342-L366 HydrophobicContact CB-CD2 3.63Å; L342-L366 HydrophobicContact CB-CG 4.47Å; L342-L366 HydrophobicContact CD1-CD2 4.04Å; L347-L366 HydrophobicContact CD1-CD2 4.39Å; V350-L366 HydrophobicContact CG2-CD2 3.75Å; V364-L366 HydrophobicContact CG1-CD1 3.85Å; V364-L366 HydrophobicContact CG1-CG 3.88Å; L366-N369 PolarHBondContact O-ND2 3.23Å; L366-M380 HydrophobicContact CD1-CE 4.24Å; L366-M380 HydrophobicContact CD1-SD 3.36Å; L366-M380 WeakPolarHBondContact CD1-SD 3.44Å; L366-M398 HydrophobicContact CB-CE 3.68Å; L366-M398 HydrophobicContact CB-SD 4.13Å; L366-M398 HydrophobicContact CD1-CE 4.2Å
367	Y	95.4	Very high	94.2	Very high	23 Å²	23	34 Å²	34	9%	0.09	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	160.6	176.2	64.9	-92.1	0	0	0	111.7	H343 N344 N369 H393 E394	H343-Y367 CarbonylContact C-O 3.26Å; H343-Y367 WeakPolarHBondContact CA-O 3.45Å; H343-Y367 HydrophobicContact CB-CD1 3.64Å; H343-Y367 HydrophobicContact CB-CD2 3.87Å; H343-Y367 HydrophobicContact CB-CE1 3.44Å; H343-Y367 VanDerWaalsContact CB-CE1 3.44Å; H343-Y367 HydrophobicContact CB-CE2 3.69Å; H343-Y367 HydrophobicContact CB-CG 3.86Å; H343-Y367 VanDerWaalsContact CB-CZ 3.5Å; H343-Y367 VanDerWaalsContact CB-O 3.3Å; H343-Y367 WeakPolarHBondContact CB-O 3.47Å; H343-Y367 AromaticContact CD2-CE2 3.68Å; H343-Y367 AromaticContact CD2-CZ 3.36Å; H343-Y367 PolarHBondContact CD2-OH 3Å; H343-Y367 AromaticContact CG-CE1 3.6Å; H343-Y367 AromaticContact CG-CE2 3.86Å; H343-Y367 AromaticContact CG-CZ 3.36Å; H343-Y367 AromaticContact ND1-CZ 4Å; H343-Y367 PolarHBondContact NE2-OH 3Å; N344-Y367 PolarHBondContact N-O 3.47Å; Y367-N369 VanDerWaalsContact C-N 3.26Å; Y367-N369 PolarHBondContact O-N 3.45Å; Y367-N369 PolarHBondContact O-ND2 3.34Å; Y367-H393 AromaticContact CE1-CD2 4Å; Y367-E394 HydrophobicContact CD1-CB 3.66Å; Y367-E394 HydrophobicContact CD1-CG 4.41Å; Y367-E394 WeakPolarHBondContact CD2-OE2 3.38Å; Y367-E394 HydrophobicContact CE1-CB 4.01Å; Y367-E394 HydrophobicContact CE1-CG 4.28Å; Y367-E394 WeakPolarHBondContact CE1-OE2 3.06Å; Y367-E394 WeakPolarHBondContact CE2-OE2 3.44Å; Y367-E394 HydrophobicContact CG-CB 4.17Å; Y367-E394 VanDerWaalsContact CZ-OE2 3.26Å
368	G	96.4	Very high	94.5	Very high	47 Å²	47	29.6 Å²	29.6	49%	0.485	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	20.4	179.9	0	0	0	0	0	114.5
369	N	97.2	Very high	94.4	Very high	14 Å²	14	30.5 Å²	30.5	8%	0.075	16%	0.159	C	C	.	.	S	Bend	trans	-109.8	145.9	173.6	-79.6	-76.4	0	0	0	111.7	L342 N345 L347 L366 Y367 L371	L342-N369 PolarHBondContact O-ND2 3.13Å; N345-N369 WeakPolarHBondContact CA-OD1 3.17Å; N345-N369 WeakPolarHBondContact CB-OD1 3.36Å; N345-N369 PolarHBondContact N-OD1 3.48Å; N345-N369 PolarHBondContact O-OD1 3.07Å; L347-N369 HydrophobicContact CB-CB 4.38Å; L347-N369 VanDerWaalsContact CB-OD1 3.28Å; L347-N369 WeakPolarHBondContact CB-OD1 3.1Å; L347-N369 PolarHBondContact N-OD1 3.14Å; L366-N369 PolarHBondContact O-ND2 3.23Å; Y367-N369 VanDerWaalsContact C-N 3.26Å; Y367-N369 PolarHBondContact O-N 3.45Å; Y367-N369 PolarHBondContact O-ND2 3.34Å; N369-L371 HydrophobicContact CB-CD2 3.8Å; N369-L371 HydrophobicContact CB-CG 3.88Å; N369-L371 PolarHBondContact O-N 3.16Å
370	P	96.2	Very high	94.4	Very high	30 Å²	30	24.8 Å²	24.8	20%	0.195	13%	0.128	C	C	.	.			trans	-78.5	62.1	174.8	34.3	-36	0	0	0	111.7	N346 L347 T348 R372 D401	N346-P370 WeakPolarHBondContact OD1-CG 3.38Å; L347-P370 CarbonylContact O-C 3.59Å; L347-P370 WeakPolarHBondContact O-CD 3.34Å; T348-P370 WeakPolarHBondContact CA-O 3.15Å; P370-R372 PolarHBondContact O-N 2.86Å; P370-D401 HydrophobicContact CB-CB 4.03Å
371	L	95.5	Very high	94	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.01	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	128.3	-173.8	-61	175.3	0	0	0	111.3	N369 I377 M380 M398 D401	N369-L371 HydrophobicContact CB-CD2 3.8Å; N369-L371 HydrophobicContact CB-CG 3.88Å; N369-L371 PolarHBondContact O-N 3.16Å; L371-I377 HydrophobicContact CB-CD1 4.07Å; L371-I377 HydrophobicContact CD1-CD1 4.06Å; L371-I377 HydrophobicContact CD2-CD1 3.81Å; L371-I377 HydrophobicContact CG-CD1 4.19Å; L371-M380 HydrophobicContact CD1-CE 4.23Å; L371-M398 HydrophobicContact CD1-CE 4.24Å; L371-D401 PolarHBondContact O-N 3Å
372	R	95	Very high	93.5	Very high	80 Å²	80	25.2 Å²	25.2	30%	0.302	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	111	171	-175.4	170	-165.7	-93.3	-1.9	109.3	T348 P370 D374 I377 S402	T348-R372 PolarHBondContact O-N 2.82Å; P370-R372 PolarHBondContact O-N 2.86Å; R372-D374 VanDerWaalsContact CD-OD2 3.3Å; R372-D374 WeakPolarHBondContact CD-OD2 3.3Å; R372-D374 HydrophobicContact CG-CB 4.19Å; R372-D374 WeakPolarHBondContact CG-OD2 3.36Å; R372-D374 IonicContact CZ-OD2 3.32Å; R372-D374 IonicContact NE-OD2 2.87Å; R372-D374 VanDerWaalsContact NH1-CB 3.33Å; R372-D374 IonicContact NH1-OD2 2.83Å; R372-D374 PolarHBondContact NH1-OD2 3.27Å; R372-D374 PolarHBondContact O-N 3.21Å; R372-I377 WeakPolarHBondContact O-CG2 3.46Å; R372-S402 CarbonylContact C-O 3.55Å; R372-S402 WeakPolarHBondContact CA-O 3.41Å; R372-S402 VanDerWaalsContact CB-OG 3.3Å; R372-S402 WeakPolarHBondContact CB-OG 3.25Å; R372-S402 VanDerWaalsContact CG-OG 3.23Å; R372-S402 WeakPolarHBondContact CG-OG 3.2Å
373	C	94.3	Very high	93.1	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.007	12%	0.115	C	C	.	.			trans	-78.7	69.7	-179.8	-66.9	0	0	0	0	111.6	C400 S402 P403 H406 L414	C373-C400 HydrophobicContact CB-CB 3.82Å; C373-C400 WeakPolarHBondContact CB-SG 3.38Å; C373-C400 WeakPolarHBondContact SG-CB 3.31Å; C373-C400 CovalentContact SG-SG 2.02Å; C373-C400 PolarHBondContact SG-SG 2.68Å; C373-S402 PolarHBondContact N-O 3.1Å; C373-P403 WeakPolarHBondContact O-CD 3.27Å; C373-H406 HydrophobicContact CB-CB 3.96Å; C373-H406 PolarHBondContact O-CD2 3.07Å; C373-L414 HydrophobicContact CB-CD1 4.15Å
374	D	94.5	Very high	92.4	Very high	14 Å²	14	21 Å²	21	8%	0.075	11%	0.114	C	C	.	.	S	Bend	trans	-116	-170.1	175.7	66.2	28.6	0	0	0	111.6	R372 N376 I377 R378 I419 R426	R372-D374 VanDerWaalsContact CD-OD2 3.3Å; R372-D374 WeakPolarHBondContact CD-OD2 3.3Å; R372-D374 HydrophobicContact CG-CB 4.19Å; R372-D374 WeakPolarHBondContact CG-OD2 3.36Å; R372-D374 IonicContact CZ-OD2 3.32Å; R372-D374 IonicContact NE-OD2 2.87Å; R372-D374 VanDerWaalsContact NH1-CB 3.33Å; R372-D374 IonicContact NH1-OD2 2.83Å; R372-D374 PolarHBondContact NH1-OD2 3.27Å; R372-D374 PolarHBondContact O-N 3.21Å; D374-N376 PolarHBondContact O-N 3.43Å; D374-N376 VanDerWaalsContact OD1-CB 3.32Å; D374-N376 WeakPolarHBondContact OD1-CB 3.2Å; D374-N376 PolarHBondContact OD1-N 3.47Å; D374-N376 PolarHBondContact OD1-ND2 2.96Å; D374-N376 PolarHBondContact OD2-ND2 3.43Å; D374-I377 PolarHBondContact O-N 3.48Å; D374-R378 PolarHBondContact O-N 3.06Å; D374-I419 WeakPolarHBondContact O-CG2 3.27Å; D374-R426 IonicContact OD2-NH2 3.17Å
375	C	95.2	Very high	91.6	Very high	6 Å²	6	24.6 Å²	24.6	4%	0.041	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-42.8	-40.3	171.9	53.1	0	0	0	0	115.1	I377 R378 A420 C423 I452	C375-I377 VanDerWaalsContact C-N 3.29Å; C375-I377 PolarHBondContact O-N 3.12Å; C375-R378 WeakPolarHBondContact O-CB 3.49Å; C375-R378 PolarHBondContact O-N 3.26Å; C375-A420 WeakPolarHBondContact CA-O 3.19Å; C375-A420 WeakPolarHBondContact CB-O 3.49Å; C375-C423 HydrophobicContact CB-CB 3.63Å; C375-C423 WeakPolarHBondContact CB-SG 3.3Å; C375-C423 WeakPolarHBondContact SG-CB 3.5Å; C375-C423 CovalentContact SG-SG 1.98Å; C375-C423 PolarHBondContact SG-SG 2.97Å; C375-I452 HydrophobicContact CB-CD1 4.16Å; C375-I452 WeakPolarHBondContact O-CD1 3.3Å
376	N	94.7	Very high	90.9	Very high	8 Å²	8	28.2 Å²	28.2	4%	0.043	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-73.3	-24.1	-170.3	-60	-77.7	0	0	0	112.3	T349 D374 W379 G451	T349-N376 HydrophobicContact CG2-CB 4.39Å; T349-N376 VanDerWaalsContact OG1-CB 3.23Å; T349-N376 WeakPolarHBondContact OG1-CB 3.15Å; D374-N376 PolarHBondContact O-N 3.43Å; D374-N376 VanDerWaalsContact OD1-CB 3.32Å; D374-N376 WeakPolarHBondContact OD1-CB 3.2Å; D374-N376 PolarHBondContact OD1-N 3.47Å; D374-N376 PolarHBondContact OD1-ND2 2.96Å; D374-N376 PolarHBondContact OD2-ND2 3.43Å; N376-W379 PolarHBondContact O-NE1 3.21Å; N376-G451 PolarHBondContact OD1-N 2.81Å
377	I	92.5	Very high	89.6	Confident	2 Å²	2	39.2 Å²	39.2	1%	0.01	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-108.4	0.5	179.2	-149.8	169.5	0	0	0	112.4	L371 R372 D374 C375 W379 M380 F411	L371-I377 HydrophobicContact CB-CD1 4.07Å; L371-I377 HydrophobicContact CD1-CD1 4.06Å; L371-I377 HydrophobicContact CD2-CD1 3.81Å; L371-I377 HydrophobicContact CG-CD1 4.19Å; R372-I377 WeakPolarHBondContact O-CG2 3.46Å; D374-I377 PolarHBondContact O-N 3.48Å; C375-I377 VanDerWaalsContact C-N 3.29Å; C375-I377 PolarHBondContact O-N 3.12Å; I377-W379 PolarHBondContact O-N 3.39Å; I377-M380 HydrophobicContact CD1-CE 3.46Å; I377-M380 VanDerWaalsContact CD1-CE 3.46Å; I377-M380 HydrophobicContact CG1-CB 4.19Å; I377-M380 HydrophobicContact CG1-CE 3.67Å; I377-M380 HydrophobicContact CG1-SD 4.44Å; I377-M380 WeakPolarHBondContact O-CB 3.38Å; I377-M380 PolarHBondContact O-N 3.39Å; I377-F411 HydrophobicContact CB-CE2 4.47Å; I377-F411 HydrophobicContact CD1-CE2 3.87Å; I377-F411 HydrophobicContact CD1-CZ 4.33Å; I377-F411 HydrophobicContact CG1-CE2 3.91Å; I377-F411 HydrophobicContact CG1-CZ 3.95Å; I377-F411 HydrophobicContact CG2-CE2 3.83Å; I377-F411 HydrophobicContact CG2-CZ 4.26Å
378	R	91.7	Very high	88.4	Confident	48 Å²	48	40 Å²	40	18%	0.181	22%	0.219	C	C	.	.	H	α-helix	trans	-50.7	-43.3	178.9	179.9	-175.5	167.4	66.6	11.6	112.2	D374 C375 M380 S381 L382 V416 I419	D374-R378 PolarHBondContact O-N 3.06Å; C375-R378 WeakPolarHBondContact O-CB 3.49Å; C375-R378 PolarHBondContact O-N 3.26Å; R378-M380 PolarHBondContact O-N 3.36Å; R378-S381 PolarHBondContact O-N 2.95Å; R378-L382 PolarHBondContact O-N 3.17Å; R378-V416 HydrophobicContact CG-CG1 4.22Å; R378-V416 VanDerWaalsContact CZ-CG1 3.45Å; R378-V416 PolarHBondContact NH1-O 3.06Å; R378-I419 HydrophobicContact CB-CG2 4.06Å; R378-I419 HydrophobicContact CG-CG2 4.28Å; R378-I419 PolarHBondContact NH1-O 2.99Å
379	W	90.6	Very high	87.8	Confident	23 Å²	23	44.2 Å²	44.2	9%	0.087	22%	0.221	C	C	.	.	H	α-helix	trans	-56.3	-38.2	180	71.4	-94	0	0	0	112.2	V350 E352 I355 N376 I377 S381 L382 S383	V350-W379 PolarHBondContact O-NE1 3.37Å; E352-W379 HydrophobicContact CB-CB 4.16Å; E352-W379 HydrophobicContact CB-CD2 3.89Å; E352-W379 HydrophobicContact CB-CG 3.62Å; E352-W379 VanDerWaalsContact CD-CB 3.45Å; E352-W379 HydrophobicContact CG-CB 3.94Å; E352-W379 HydrophobicContact CG-CD2 3.86Å; E352-W379 HydrophobicContact CG-CE3 4.13Å; E352-W379 HydrophobicContact CG-CG 3.76Å; I355-W379 HydrophobicContact CB-CH2 4.06Å; I355-W379 HydrophobicContact CB-CZ3 4.39Å; I355-W379 HydrophobicContact CD1-CH2 3.37Å; I355-W379 HydrophobicContact CD1-CZ2 3.96Å; I355-W379 HydrophobicContact CD1-CZ3 4.34Å; I355-W379 HydrophobicContact CG1-CH2 4.24Å; I355-W379 HydrophobicContact CG2-CH2 4.19Å; I355-W379 HydrophobicContact CG2-CZ3 4.13Å; N376-W379 PolarHBondContact O-NE1 3.21Å; I377-W379 PolarHBondContact O-N 3.39Å; W379-S381 VanDerWaalsContact C-N 3.31Å; W379-S381 PolarHBondContact O-N 2.94Å; W379-L382 WeakPolarHBondContact O-CB 3.32Å; W379-L382 PolarHBondContact O-N 3.35Å; W379-S383 WeakPolarHBondContact O-CB 3.36Å; W379-S383 PolarHBondContact O-N 2.98Å
380	M	88.9	Confident	87.4	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-69.3	-34.5	-176.7	-171.9	172	75.4	0	0	110.9	L366 L371 I377 R378 L382 S383 I384 Y392 M398 F411	L366-M380 HydrophobicContact CD1-CE 4.24Å; L366-M380 HydrophobicContact CD1-SD 3.36Å; L366-M380 WeakPolarHBondContact CD1-SD 3.44Å; L371-M380 HydrophobicContact CD1-CE 4.23Å; I377-M380 HydrophobicContact CD1-CE 3.46Å; I377-M380 VanDerWaalsContact CD1-CE 3.46Å; I377-M380 HydrophobicContact CG1-CB 4.19Å; I377-M380 HydrophobicContact CG1-CE 3.67Å; I377-M380 HydrophobicContact CG1-SD 4.44Å; I377-M380 WeakPolarHBondContact O-CB 3.38Å; I377-M380 PolarHBondContact O-N 3.39Å; R378-M380 PolarHBondContact O-N 3.36Å; M380-L382 VanDerWaalsContact C-N 3.31Å; M380-S383 PolarHBondContact O-N 3.11Å; M380-I384 HydrophobicContact CG-CD1 3.99Å; M380-I384 WeakPolarHBondContact O-CG1 3.5Å; M380-I384 PolarHBondContact O-N 2.91Å; M380-Y392 HydrophobicContact CG-CE1 3.79Å; M380-Y392 HydrophobicContact SD-CE1 3.89Å; M380-M398 HydrophobicContact CE-CE 3.26Å; M380-M398 HydrophobicContact SD-CE 3.86Å; M380-F411 VanDerWaalsContact C-CE1 3.44Å; M380-F411 HydrophobicContact CB-CE1 3.71Å; M380-F411 HydrophobicContact CB-CZ 3.67Å; M380-F411 HydrophobicContact CE-CD1 3.83Å; M380-F411 HydrophobicContact CE-CD2 3.9Å; M380-F411 HydrophobicContact CE-CE1 3.39Å; M380-F411 HydrophobicContact CE-CE2 3.5Å; M380-F411 VanDerWaalsContact CE-CE2 3.5Å; M380-F411 HydrophobicContact CE-CG 4.06Å; M380-F411 HydrophobicContact CE-CZ 3.25Å; M380-F411 HydrophobicContact CG-CD1 4.5Å; M380-F411 HydrophobicContact CG-CE1 3.61Å; M380-F411 HydrophobicContact CG-CZ 3.97Å; M380-F411 HydrophobicContact SD-CE1 4.33Å; M380-F411 HydrophobicContact SD-CZ 4.43Å
381	S	85.1	Confident	87.1	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.014	24%	0.241	C	C	.	.	H	α-helix	trans	-70.4	-34.5	178.5	-170.6	0	0	0	0	110.7	R378 W379 S385 F411 V416	R378-S381 PolarHBondContact O-N 2.95Å; W379-S381 VanDerWaalsContact C-N 3.31Å; W379-S381 PolarHBondContact O-N 2.94Å; S381-S385 VanDerWaalsContact O-CB 3.31Å; S381-S385 WeakPolarHBondContact O-CB 3.28Å; S381-S385 PolarHBondContact O-N 3.31Å; S381-S385 VanDerWaalsContact O-N 3.13Å; S381-S385 PolarHBondContact O-OG 3.49Å; S381-F411 VanDerWaalsContact CA-CE1 3.41Å; S381-V416 WeakPolarHBondContact OG-CG2 3.48Å
382	L	85.4	Confident	86.9	Confident	84 Å²	84	48.7 Å²	48.7	44%	0.44	25%	0.245	S	C	.	.	H	α-helix	trans	-66.2	-47.5	170.4	-68.2	170.4	0	0	0	111.7	R378 W379 M380 I384 S385 A386 V416	R378-L382 PolarHBondContact O-N 3.17Å; W379-L382 WeakPolarHBondContact O-CB 3.32Å; W379-L382 PolarHBondContact O-N 3.35Å; M380-L382 VanDerWaalsContact C-N 3.31Å; L382-I384 PolarHBondContact O-N 3.39Å; L382-S385 PolarHBondContact O-N 3.21Å; L382-A386 VanDerWaalsContact O-CB 3.27Å; L382-A386 WeakPolarHBondContact O-CB 3.22Å; L382-A386 PolarHBondContact O-N 3.4Å; L382-V416 HydrophobicContact CD1-CG1 4.43Å; L382-V416 HydrophobicContact CD2-CB 4.33Å; L382-V416 HydrophobicContact CD2-CG1 3.63Å; L382-V416 HydrophobicContact CD2-CG2 4.36Å; L382-V416 HydrophobicContact CG-CG1 3.85Å
383	S	84.5	Confident	86.7	Confident	22 Å²	22	48.7 Å²	48.7	15%	0.154	25%	0.248	C	C	.	.	H	α-helix	trans	-55.8	-49.4	179	173.8	0	0	0	0	111.9	W379 M380 A386 S388 Y392	W379-S383 WeakPolarHBondContact O-CB 3.36Å; W379-S383 PolarHBondContact O-N 2.98Å; M380-S383 PolarHBondContact O-N 3.11Å; S383-A386 PolarHBondContact O-N 2.83Å; S383-S388 WeakPolarHBondContact O-CB 3.47Å; S383-S388 PolarHBondContact O-N 3.5Å; S383-S388 PolarHBondContact O-OG 3.22Å; S383-S388 VanDerWaalsContact O-OG 3.12Å; S383-S388 WeakPolarHBondContact OG-CB 3.49Å; S383-S388 PolarHBondContact OG-OG 3.49Å; S383-Y392 PolarHBondContact OG-OH 3.12Å; S383-Y392 VanDerWaalsContact OG-OH 3.14Å
384	I	81.1	Confident	86.6	Confident	32 Å²	32	51.1 Å²	51.1	16%	0.164	26%	0.259	C	S	.	.	H	α-helix	trans	-65	-45	179.6	-69.4	165.7	0	0	0	111.2	M380 L382 A386 R387 Y392 F411 V412	M380-I384 HydrophobicContact CG-CD1 3.99Å; M380-I384 WeakPolarHBondContact O-CG1 3.5Å; M380-I384 PolarHBondContact O-N 2.91Å; L382-I384 PolarHBondContact O-N 3.39Å; I384-A386 VanDerWaalsContact C-N 3.27Å; I384-A386 PolarHBondContact O-N 2.96Å; I384-R387 PolarHBondContact O-N 3.11Å; I384-R387 VanDerWaalsContact O-N 3.17Å; I384-Y392 HydrophobicContact CD1-CD1 4.14Å; I384-Y392 HydrophobicContact CD1-CD2 4.15Å; I384-Y392 HydrophobicContact CD1-CE1 4.2Å; I384-Y392 HydrophobicContact CD1-CE2 4.21Å; I384-Y392 HydrophobicContact CD1-CG 4.1Å; I384-Y392 HydrophobicContact CG1-CD1 4.37Å; I384-Y392 HydrophobicContact CG1-CD2 3.53Å; I384-Y392 HydrophobicContact CG1-CE1 4.28Å; I384-Y392 HydrophobicContact CG1-CE2 3.43Å; I384-Y392 VanDerWaalsContact CG1-CE2 3.43Å; I384-Y392 HydrophobicContact CG1-CG 4.01Å; I384-F411 HydrophobicContact CD1-CD1 3.55Å; I384-F411 HydrophobicContact CD1-CE1 3.79Å; I384-V412 HydrophobicContact CG2-CG1 3.69Å
385	S	79.3	Confident	86.3	Confident	76 Å²	76	51.3 Å²	51.3	53%	0.531	26%	0.263	S	S	.	.	H	α-helix	trans	-64.5	-32.7	179.4	-59.2	0	0	0	0	112.8	S381 L382 R387	S381-S385 VanDerWaalsContact O-CB 3.31Å; S381-S385 WeakPolarHBondContact O-CB 3.28Å; S381-S385 PolarHBondContact O-N 3.31Å; S381-S385 VanDerWaalsContact O-N 3.13Å; S381-S385 PolarHBondContact O-OG 3.49Å; L382-S385 PolarHBondContact O-N 3.21Å; S385-R387 PolarHBondContact O-N 3.15Å
386	A	79.5	Confident	86	Confident	77 Å²	77	57 Å²	57	64%	0.636	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-0.2	178.4	0	0	0	0	0	113.8	L382 S383 I384 S388	L382-A386 VanDerWaalsContact O-CB 3.27Å; L382-A386 WeakPolarHBondContact O-CB 3.22Å; L382-A386 PolarHBondContact O-N 3.4Å; S383-A386 PolarHBondContact O-N 2.83Å; I384-A386 VanDerWaalsContact C-N 3.27Å; I384-A386 PolarHBondContact O-N 2.96Å; A386-S388 VanDerWaalsContact C-N 3.3Å; A386-S388 PolarHBondContact O-N 3.46Å
387	R	68.5	Low	85.9	Confident	233 Å²	233	62.9 Å²	62.9	88%	0.879	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	51.9	-169.9	-58.8	179.5	178.1	179.1	-1.3	110.6	I384 S385	I384-R387 PolarHBondContact O-N 3.11Å; I384-R387 VanDerWaalsContact O-N 3.17Å; S385-R387 PolarHBondContact O-N 3.15Å
388	S	70.9	Confident	85.9	Confident	40 Å²	40	62.9 Å²	62.9	28%	0.28	31%	0.31	S	S	.	.			trans	-57.5	166.3	-179	64.6	0	0	0	0	112.7	S383 A386 I390	S383-S388 WeakPolarHBondContact O-CB 3.47Å; S383-S388 PolarHBondContact O-N 3.5Å; S383-S388 PolarHBondContact O-OG 3.22Å; S383-S388 VanDerWaalsContact O-OG 3.12Å; S383-S388 WeakPolarHBondContact OG-CB 3.49Å; S383-S388 PolarHBondContact OG-OG 3.49Å; A386-S388 VanDerWaalsContact C-N 3.3Å; A386-S388 PolarHBondContact O-N 3.46Å; S388-I390 PolarHBondContact O-N 3.21Å; S388-I390 VanDerWaalsContact O-N 3.07Å
389	R	82.8	Confident	86	Confident	135 Å²	135	64.1 Å²	64.1	51%	0.509	32%	0.32	S	S	.	.	S	Bend	trans	-59.5	-16.1	177.6	-166.6	176.9	70.4	68.5	18.7	113.3	D359 N360 L361	D359-R389 PolarHBondContact O-NE 3.05Å; D359-R389 PolarHBondContact O-NH2 2.7Å; N360-R389 PolarHBondContact O-NH1 2.99Å; L361-R389 VanDerWaalsContact O-CZ 3.25Å; L361-R389 PolarHBondContact O-NH1 2.78Å; L361-R389 PolarHBondContact O-NH2 2.75Å
390	I	88.6	Confident	86.2	Confident	26 Å²	26	63.1 Å²	63.1	13%	0.133	32%	0.317	C	S	.	.			trans	-96	127.4	-171.1	-59.3	162.5	0	0	0	110.1	I355 L361 V364 S388 Y392	I355-I390 HydrophobicContact CG2-CD1 3.61Å; L361-I390 HydrophobicContact CD2-CD1 4.11Å; L361-I390 HydrophobicContact CD2-CG1 4.49Å; V364-I390 HydrophobicContact CB-CG2 4.2Å; V364-I390 HydrophobicContact CG2-CG2 3.75Å; S388-I390 PolarHBondContact O-N 3.21Å; S388-I390 VanDerWaalsContact O-N 3.07Å; I390-Y392 HydrophobicContact CB-CE2 4.14Å; I390-Y392 HydrophobicContact CG2-CD2 4.34Å; I390-Y392 HydrophobicContact CG2-CE2 4.01Å; I390-Y392 WeakPolarHBondContact O-CD2 3.23Å
391	T	90.9	Very high	86.5	Confident	92 Å²	92	66.8 Å²	66.8	56%	0.564	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.6	121.6	170.8	-56.4	0	0	0	0	109.4	Q362 E363 V364	Q362-T391 WeakPolarHBondContact O-CB 3.2Å; Q362-T391 PolarHBondContact O-N 3.01Å; E363-T391 VanDerWaalsContact CA-O 3.32Å; E363-T391 WeakPolarHBondContact CA-O 3.26Å; V364-T391 PolarHBondContact N-O 3.07Å
392	Y	90.9	Very high	87	Confident	22 Å²	22	68.2 Å²	68.2	9%	0.086	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	106.4	173.1	-68.8	-96.5	0	0	0	109	V364 M380 S383 I384 I390 E394 A395 M398	V364-Y392 HydrophobicContact CB-CD1 4.45Å; V364-Y392 CarbonylContact O-C 3.53Å; V364-Y392 VanDerWaalsContact O-CA 3.32Å; V364-Y392 WeakPolarHBondContact O-CA 3.25Å; M380-Y392 HydrophobicContact CG-CE1 3.79Å; M380-Y392 HydrophobicContact SD-CE1 3.89Å; S383-Y392 PolarHBondContact OG-OH 3.12Å; S383-Y392 VanDerWaalsContact OG-OH 3.14Å; I384-Y392 HydrophobicContact CD1-CD1 4.14Å; I384-Y392 HydrophobicContact CD1-CD2 4.15Å; I384-Y392 HydrophobicContact CD1-CE1 4.2Å; I384-Y392 HydrophobicContact CD1-CE2 4.21Å; I384-Y392 HydrophobicContact CD1-CG 4.1Å; I384-Y392 HydrophobicContact CG1-CD1 4.37Å; I384-Y392 HydrophobicContact CG1-CD2 3.53Å; I384-Y392 HydrophobicContact CG1-CE1 4.28Å; I384-Y392 HydrophobicContact CG1-CE2 3.43Å; I384-Y392 VanDerWaalsContact CG1-CE2 3.43Å; I384-Y392 HydrophobicContact CG1-CG 4.01Å; I390-Y392 HydrophobicContact CB-CE2 4.14Å; I390-Y392 HydrophobicContact CG2-CD2 4.34Å; I390-Y392 HydrophobicContact CG2-CE2 4.01Å; I390-Y392 WeakPolarHBondContact O-CD2 3.23Å; Y392-E394 PolarHBondContact O-N 3.43Å; Y392-A395 PolarHBondContact O-N 2.99Å; Y392-M398 HydrophobicContact CD1-SD 4.41Å
393	H	91.1	Very high	87.5	Confident	79 Å²	79	65.1 Å²	65.1	37%	0.366	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	130.5	-179.5	-166.1	93.8	0	0	0	110.5	E363 V364 Y367 A395	E363-H393 HydrophobicContact CG-CB 4.32Å; E363-H393 IonicContact OE1-CE1 2.7Å; E363-H393 IonicContact OE1-CG 3.26Å; E363-H393 IonicContact OE1-ND1 3.94Å; E363-H393 PolarHBondContact OE1-ND1 3.21Å; V364-H393 PolarHBondContact O-N 3.41Å; Y367-H393 AromaticContact CE1-CD2 4Å; H393-A395 VanDerWaalsContact C-N 3.28Å; H393-A395 PolarHBondContact O-N 2.87Å
394	E	91.5	Very high	87.9	Confident	52 Å²	52	69.2 Å²	69.2	24%	0.243	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.9	44.2	-174.4	-66.2	-176.3	172.1	0	0	113.4	Y367 Y392 E396 R397	Y367-E394 HydrophobicContact CD1-CB 3.66Å; Y367-E394 HydrophobicContact CD1-CG 4.41Å; Y367-E394 WeakPolarHBondContact CD2-OE2 3.38Å; Y367-E394 HydrophobicContact CE1-CB 4.01Å; Y367-E394 HydrophobicContact CE1-CG 4.28Å; Y367-E394 WeakPolarHBondContact CE1-OE2 3.06Å; Y367-E394 WeakPolarHBondContact CE2-OE2 3.44Å; Y367-E394 HydrophobicContact CG-CB 4.17Å; Y367-E394 VanDerWaalsContact CZ-OE2 3.26Å; Y392-E394 PolarHBondContact O-N 3.43Å; E394-E396 VanDerWaalsContact C-OE2 3.28Å; E394-E396 WeakPolarHBondContact CA-OE1 3.4Å; E394-E396 WeakPolarHBondContact CA-OE2 3.49Å; E394-E396 PolarHBondContact O-N 3.37Å; E394-E396 VanDerWaalsContact O-N 3.14Å; E394-R397 HydrophobicContact CB-CB 4.38Å; E394-R397 HydrophobicContact CB-CG 4.41Å; E394-R397 VanDerWaalsContact CD-NH1 3.29Å; E394-R397 WeakPolarHBondContact O-CB 3.44Å; E394-R397 PolarHBondContact O-N 3.22Å; E394-R397 IonicContact OE1-NH1 3.6Å; E394-R397 PolarHBondContact OE1-NH1 3.29Å; E394-R397 WeakPolarHBondContact OE2-CD 3.31Å; E394-R397 IonicContact OE2-CZ 2.76Å; E394-R397 VanDerWaalsContact OE2-CZ 3.26Å; E394-R397 IonicContact OE2-NE 2.65Å; E394-R397 PolarHBondContact OE2-NE 3.37Å; E394-R397 IonicContact OE2-NH1 3.94Å; E394-R397 PolarHBondContact OE2-NH1 3.44Å
395	A	88.1	Confident	88.5	Confident	19 Å²	19	73.5 Å²	73.5	16%	0.157	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-56.6	-29.1	179.7	0	0	0	0	0	113.3	Y392 H393 R397 M398 V412	Y392-A395 PolarHBondContact O-N 2.99Å; H393-A395 VanDerWaalsContact C-N 3.28Å; H393-A395 PolarHBondContact O-N 2.87Å; A395-R397 PolarHBondContact O-N 2.89Å; A395-M398 WeakPolarHBondContact O-CB 3.45Å; A395-M398 PolarHBondContact O-N 2.59Å; A395-V412 HydrophobicContact CB-CG1 4.49Å
396	E	88.9	Confident	89.1	Confident	124 Å²	124	70.8 Å²	70.8	58%	0.579	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-66.4	-13.6	174.4	72.7	-68.3	161.6	0	0	113.9	E394 L410	E394-E396 VanDerWaalsContact C-OE2 3.28Å; E394-E396 WeakPolarHBondContact CA-OE1 3.4Å; E394-E396 WeakPolarHBondContact CA-OE2 3.49Å; E394-E396 PolarHBondContact O-N 3.37Å; E394-E396 VanDerWaalsContact O-N 3.14Å; E396-L410 WeakPolarHBondContact O-CD2 3.16Å
397	R	92.8	Very high	89.7	Confident	133 Å²	133	71.4 Å²	71.4	50%	0.502	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-100.4	0.7	175.5	-64.3	177.5	61.8	-176.2	3.4	113.1	E394 A395 L399	E394-R397 HydrophobicContact CB-CB 4.38Å; E394-R397 HydrophobicContact CB-CG 4.41Å; E394-R397 VanDerWaalsContact CD-NH1 3.29Å; E394-R397 WeakPolarHBondContact O-CB 3.44Å; E394-R397 PolarHBondContact O-N 3.22Å; E394-R397 IonicContact OE1-NH1 3.6Å; E394-R397 PolarHBondContact OE1-NH1 3.29Å; E394-R397 WeakPolarHBondContact OE2-CD 3.31Å; E394-R397 IonicContact OE2-CZ 2.76Å; E394-R397 VanDerWaalsContact OE2-CZ 3.26Å; E394-R397 IonicContact OE2-NE 2.65Å; E394-R397 PolarHBondContact OE2-NE 3.37Å; E394-R397 IonicContact OE2-NH1 3.94Å; E394-R397 PolarHBondContact OE2-NH1 3.44Å; A395-R397 PolarHBondContact O-N 2.89Å; R397-L399 PolarHBondContact O-N 3.06Å
398	M	92.6	Very high	90.9	Very high	2 Å²	2	68.1 Å²	68.1	1%	0.01	33%	0.333	C	S	.	.			trans	-83.4	103.8	177	-64.6	176.8	59.1	0	0	110.5	L366 L371 M380 Y392 A395 F411	L366-M398 HydrophobicContact CB-CE 3.68Å; L366-M398 HydrophobicContact CB-SD 4.13Å; L366-M398 HydrophobicContact CD1-CE 4.2Å; L371-M398 HydrophobicContact CD1-CE 4.24Å; M380-M398 HydrophobicContact CE-CE 3.26Å; M380-M398 HydrophobicContact SD-CE 3.86Å; Y392-M398 HydrophobicContact CD1-SD 4.41Å; A395-M398 WeakPolarHBondContact O-CB 3.45Å; A395-M398 PolarHBondContact O-N 2.59Å; M398-F411 HydrophobicContact CB-CB 3.97Å; M398-F411 WeakPolarHBondContact O-CB 3.32Å; M398-F411 PolarHBondContact O-N 3.01Å
399	L	93.6	Very high	91.9	Very high	74 Å²	74	71 Å²	71	39%	0.387	34%	0.34	S	S	.	.	B	Isolated β-bridge	trans	-112.5	146.1	-179.6	-63	169.9	0	0	0	111	R397 K409 L410	R397-L399 PolarHBondContact O-N 3.06Å; L399-K409 WeakPolarHBondContact CA-O 3.3Å; L399-L410 HydrophobicContact CD2-CD2 3.57Å; L399-L410 HydrophobicContact CD2-CG 3.94Å; L399-L410 HydrophobicContact CG-CD2 4.49Å
400	C	95.3	Very high	92.2	Very high	2 Å²	2	67.7 Å²	67.7	1%	0.014	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	130.2	167.8	-59.1	0	0	0	0	110.7	C373 H406 Y408 K409	C373-C400 HydrophobicContact CB-CB 3.82Å; C373-C400 WeakPolarHBondContact CB-SG 3.38Å; C373-C400 WeakPolarHBondContact SG-CB 3.31Å; C373-C400 CovalentContact SG-SG 2.02Å; C373-C400 PolarHBondContact SG-SG 2.68Å; C400-H406 HydrophobicContact CB-CB 4.21Å; C400-H406 WeakPolarHBondContact CB-O 3.4Å; C400-Y408 PolarHBondContact O-N 2.9Å; C400-K409 PolarHBondContact N-O 3.16Å
401	D	96.4	Very high	92.1	Very high	77 Å²	77	66.5 Å²	66.5	41%	0.412	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-31.8	170.2	179.6	67.7	0	0	0	112.2	P370 L371 K407	P370-D401 HydrophobicContact CB-CB 4.03Å; L371-D401 PolarHBondContact O-N 3Å; D401-K407 VanDerWaalsContact O-CG 3.31Å; D401-K407 WeakPolarHBondContact O-CG 3.31Å
402	S	95.3	Very high	91.7	Very high	31 Å²	31	65.2 Å²	65.2	22%	0.217	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	169.1	-178.9	58.5	0	0	0	0	110.8	R372 C373	R372-S402 CarbonylContact C-O 3.55Å; R372-S402 WeakPolarHBondContact CA-O 3.41Å; R372-S402 VanDerWaalsContact CB-OG 3.3Å; R372-S402 WeakPolarHBondContact CB-OG 3.25Å; R372-S402 VanDerWaalsContact CG-OG 3.23Å; R372-S402 WeakPolarHBondContact CG-OG 3.2Å; C373-S402 PolarHBondContact N-O 3.1Å
403	P	94.2	Very high	91.5	Very high	20 Å²	20	68.1 Å²	68.1	13%	0.13	34%	0.341	C	S	.	.	S	Bend	cis	-69.3	173.5	-12	37.5	-40.1	0	0	0	111.9	C373 E405 H406 K407	C373-P403 WeakPolarHBondContact O-CD 3.27Å; P403-E405 WeakPolarHBondContact CB-OE2 3.47Å; P403-E405 WeakPolarHBondContact CG-OE2 3.49Å; P403-E405 PolarHBondContact O-N 3.15Å; P403-H406 PolarHBondContact O-N 2.92Å; P403-K407 PolarHBondContact O-N 2.73Å; P403-K407 VanDerWaalsContact O-N 3.07Å
404	P	94	Very high	91.3	Very high	108 Å²	108	65 Å²	65	70%	0.701	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-30.9	-173.6	-28.1	36.6	0	0	0	114.7	H406 K407	P404-H406 PolarHBondContact O-N 3.03Å; P404-K407 PolarHBondContact O-N 2.97Å
405	E	92.7	Very high	91.2	Very high	122 Å²	122	67.2 Å²	67.2	57%	0.57	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-23.7	180	-52.3	73.9	-156.3	0	0	112.4	P403 K409	P403-E405 WeakPolarHBondContact CB-OE2 3.47Å; P403-E405 WeakPolarHBondContact CG-OE2 3.49Å; P403-E405 PolarHBondContact O-N 3.15Å; E405-K409 VanDerWaalsContact O-CE 3.31Å; E405-K409 WeakPolarHBondContact O-CE 3.46Å; E405-K409 PolarHBondContact O-NZ 2.77Å
406	H	92.2	Very high	91.2	Very high	19 Å²	19	67.1 Å²	67.1	9%	0.088	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-4.2	-179.3	-61.8	-60.8	0	0	0	113.9	C373 C400 P403 P404 Y408 K409 L414 S418	C373-H406 HydrophobicContact CB-CB 3.96Å; C373-H406 PolarHBondContact O-CD2 3.07Å; C400-H406 HydrophobicContact CB-CB 4.21Å; C400-H406 WeakPolarHBondContact CB-O 3.4Å; P403-H406 PolarHBondContact O-N 2.92Å; P404-H406 PolarHBondContact O-N 3.03Å; H406-Y408 PolarHBondContact O-N 3.14Å; H406-K409 VanDerWaalsContact O-CB 3.23Å; H406-K409 WeakPolarHBondContact O-CB 3.39Å; H406-K409 WeakPolarHBondContact O-CG 3.3Å; H406-K409 PolarHBondContact O-N 3.29Å; H406-L414 HydrophobicContact CB-CD2 4.34Å; H406-S418 PolarHBondContact CE1-OG 2.95Å
407	K	93.6	Very high	91.2	Very high	90 Å²	90	66 Å²	66	39%	0.391	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	134.3	-175.3	-167.3	174.2	-165.5	-169.2	0	112.3	D401 P403 P404 K409	D401-K407 VanDerWaalsContact O-CG 3.31Å; D401-K407 WeakPolarHBondContact O-CG 3.31Å; P403-K407 PolarHBondContact O-N 2.73Å; P403-K407 VanDerWaalsContact O-N 3.07Å; P404-K407 PolarHBondContact O-N 2.97Å; K407-K409 PolarHBondContact O-N 3.07Å; K407-K409 VanDerWaalsContact O-N 3.17Å
408	Y	92	Very high	91	Very high	164 Å²	164	62.9 Å²	62.9	64%	0.643	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.6	7.8	-176.3	-49.5	-62.9	0	0	0	115.8	C400 H406	C400-Y408 PolarHBondContact O-N 2.9Å; H406-Y408 PolarHBondContact O-N 3.14Å
409	K	92.4	Very high	91	Very high	100 Å²	100	63.2 Å²	63.2	44%	0.435	34%	0.344	S	S	.	.			trans	-75.4	140.2	171.4	-64.1	-174.1	-178.5	163.9	0	110	L399 C400 E405 H406 K407 L414	L399-K409 WeakPolarHBondContact CA-O 3.3Å; C400-K409 PolarHBondContact N-O 3.16Å; E405-K409 VanDerWaalsContact O-CE 3.31Å; E405-K409 WeakPolarHBondContact O-CE 3.46Å; E405-K409 PolarHBondContact O-NZ 2.77Å; H406-K409 VanDerWaalsContact O-CB 3.23Å; H406-K409 WeakPolarHBondContact O-CB 3.39Å; H406-K409 WeakPolarHBondContact O-CG 3.3Å; H406-K409 PolarHBondContact O-N 3.29Å; K407-K409 PolarHBondContact O-N 3.07Å; K407-K409 VanDerWaalsContact O-N 3.17Å; K409-L414 HydrophobicContact CB-CD2 3.86Å; K409-L414 HydrophobicContact CD-CD2 4.26Å
410	L	89.6	Confident	90.9	Very high	65 Å²	65	62.7 Å²	62.7	34%	0.34	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-66.8	136.4	170.8	-75.5	166.7	0	0	0	109.7	E396 L399 V412 S413 L414	E396-L410 WeakPolarHBondContact O-CD2 3.16Å; L399-L410 HydrophobicContact CD2-CD2 3.57Å; L399-L410 HydrophobicContact CD2-CG 3.94Å; L399-L410 HydrophobicContact CG-CD2 4.49Å; L410-V412 VanDerWaalsContact C-N 3.26Å; L410-V412 HydrophobicContact CB-CG2 4.01Å; L410-V412 PolarHBondContact O-N 2.99Å; L410-S413 PolarHBondContact O-N 2.89Å; L410-S413 PolarHBondContact O-OG 2.96Å; L410-S413 VanDerWaalsContact O-OG 3.06Å; L410-L414 PolarHBondContact O-N 2.94Å
411	F	86.4	Confident	90.9	Very high	1 Å²	1	67 Å²	67	0%	0.004	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-61.8	-37.1	-175.5	-162.8	-89.8	0	0	0	112.7	I377 M380 S381 I384 M398 S413 L414	I377-F411 HydrophobicContact CB-CE2 4.47Å; I377-F411 HydrophobicContact CD1-CE2 3.87Å; I377-F411 HydrophobicContact CD1-CZ 4.33Å; I377-F411 HydrophobicContact CG1-CE2 3.91Å; I377-F411 HydrophobicContact CG1-CZ 3.95Å; I377-F411 HydrophobicContact CG2-CE2 3.83Å; I377-F411 HydrophobicContact CG2-CZ 4.26Å; M380-F411 VanDerWaalsContact C-CE1 3.44Å; M380-F411 HydrophobicContact CB-CE1 3.71Å; M380-F411 HydrophobicContact CB-CZ 3.67Å; M380-F411 HydrophobicContact CE-CD1 3.83Å; M380-F411 HydrophobicContact CE-CD2 3.9Å; M380-F411 HydrophobicContact CE-CE1 3.39Å; M380-F411 HydrophobicContact CE-CE2 3.5Å; M380-F411 VanDerWaalsContact CE-CE2 3.5Å; M380-F411 HydrophobicContact CE-CG 4.06Å; M380-F411 HydrophobicContact CE-CZ 3.25Å; M380-F411 HydrophobicContact CG-CD1 4.5Å; M380-F411 HydrophobicContact CG-CE1 3.61Å; M380-F411 HydrophobicContact CG-CZ 3.97Å; M380-F411 HydrophobicContact SD-CE1 4.33Å; M380-F411 HydrophobicContact SD-CZ 4.43Å; S381-F411 VanDerWaalsContact CA-CE1 3.41Å; I384-F411 HydrophobicContact CD1-CD1 3.55Å; I384-F411 HydrophobicContact CD1-CE1 3.79Å; M398-F411 HydrophobicContact CB-CB 3.97Å; M398-F411 WeakPolarHBondContact O-CB 3.32Å; M398-F411 PolarHBondContact O-N 3.01Å; F411-S413 PolarHBondContact O-N 2.99Å; F411-L414 HydrophobicContact CD2-CD1 3.8Å; F411-L414 HydrophobicContact CE2-CD1 3.97Å; F411-L414 HydrophobicContact CG-CD1 4.26Å; F411-L414 PolarHBondContact O-N 3.04Å
412	V	83.5	Confident	90.9	Very high	66 Å²	66	65.9 Å²	65.9	40%	0.4	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-65.8	-19.8	175.9	-68.5	0	0	0	0	114.2	I384 A395 L410	I384-V412 HydrophobicContact CG2-CG1 3.69Å; A395-V412 HydrophobicContact CB-CG1 4.49Å; L410-V412 VanDerWaalsContact C-N 3.26Å; L410-V412 HydrophobicContact CB-CG2 4.01Å; L410-V412 PolarHBondContact O-N 2.99Å
413	S	85.8	Confident	90.9	Very high	82 Å²	82	65.1 Å²	65.1	57%	0.573	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-108.3	8.3	-176	68.9	0	0	0	0	113.5	L410 F411 N415	L410-S413 PolarHBondContact O-N 2.89Å; L410-S413 PolarHBondContact O-OG 2.96Å; L410-S413 VanDerWaalsContact O-OG 3.06Å; F411-S413 PolarHBondContact O-N 2.99Å; S413-N415 PolarHBondContact O-N 3.3Å
414	L	87.6	Confident	91.1	Very high	13 Å²	13	67.7 Å²	67.7	7%	0.068	38%	0.384	C	S	.	.			trans	-66.8	131.7	178.3	-69.3	172.4	0	0	0	111.2	C373 H406 K409 L410 F411 V416 I419	C373-L414 HydrophobicContact CB-CD1 4.15Å; H406-L414 HydrophobicContact CB-CD2 4.34Å; K409-L414 HydrophobicContact CB-CD2 3.86Å; K409-L414 HydrophobicContact CD-CD2 4.26Å; L410-L414 PolarHBondContact O-N 2.94Å; F411-L414 HydrophobicContact CD2-CD1 3.8Å; F411-L414 HydrophobicContact CE2-CD1 3.97Å; F411-L414 HydrophobicContact CG-CD1 4.26Å; F411-L414 PolarHBondContact O-N 3.04Å; L414-V416 PolarHBondContact O-N 2.95Å; L414-I419 HydrophobicContact CD1-CD1 4.34Å
415	N	88.5	Confident	91.3	Very high	100 Å²	100	63 Å²	63	54%	0.535	35%	0.354	S	S	.	.			trans	-73.8	95.9	165.7	180	5.5	0	0	0	108.9	S413 S417 S418	S413-N415 PolarHBondContact O-N 3.3Å; N415-S417 VanDerWaalsContact CG-OG 3.24Å; N415-S417 PolarHBondContact ND2-OG 3.18Å; N415-S417 PolarHBondContact O-N 3.11Å; N415-S417 VanDerWaalsContact O-N 3.12Å; N415-S417 PolarHBondContact OD1-N 3.13Å; N415-S417 VanDerWaalsContact OD1-N 3.15Å; N415-S417 PolarHBondContact OD1-OG 3.25Å; N415-S418 WeakPolarHBondContact O-CB 3.5Å; N415-S418 PolarHBondContact O-N 2.93Å; N415-S418 PolarHBondContact O-OG 2.81Å
416	V	87.7	Confident	91.4	Very high	17 Å²	17	59.7 Å²	59.7	10%	0.103	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-54.4	-34.7	-178.4	-179.9	0	0	0	0	112	R378 S381 L382 L414 S418 I419	R378-V416 HydrophobicContact CG-CG1 4.22Å; R378-V416 VanDerWaalsContact CZ-CG1 3.45Å; R378-V416 PolarHBondContact NH1-O 3.06Å; S381-V416 WeakPolarHBondContact OG-CG2 3.48Å; L382-V416 HydrophobicContact CD1-CG1 4.43Å; L382-V416 HydrophobicContact CD2-CB 4.33Å; L382-V416 HydrophobicContact CD2-CG1 3.63Å; L382-V416 HydrophobicContact CD2-CG2 4.36Å; L382-V416 HydrophobicContact CG-CG1 3.85Å; L414-V416 PolarHBondContact O-N 2.95Å; V416-S418 PolarHBondContact O-N 2.78Å; V416-I419 PolarHBondContact O-N 3.17Å
417	S	88.4	Confident	91.6	Very high	99 Å²	99	59 Å²	59	69%	0.692	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-60.4	-21.7	179.1	66.6	0	0	0	0	114.5	N415 I419	N415-S417 VanDerWaalsContact CG-OG 3.24Å; N415-S417 PolarHBondContact ND2-OG 3.18Å; N415-S417 PolarHBondContact O-N 3.11Å; N415-S417 VanDerWaalsContact O-N 3.12Å; N415-S417 PolarHBondContact OD1-N 3.13Å; N415-S417 VanDerWaalsContact OD1-N 3.15Å; N415-S417 PolarHBondContact OD1-OG 3.25Å; S417-I419 VanDerWaalsContact C-N 3.35Å
418	S	89.1	Confident	91.5	Very high	69 Å²	69	55.1 Å²	55.1	48%	0.483	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-81.4	-10.5	177.3	66.2	0	0	0	0	114.5	H406 N415 V416	H406-S418 PolarHBondContact CE1-OG 2.95Å; N415-S418 WeakPolarHBondContact O-CB 3.5Å; N415-S418 PolarHBondContact O-N 2.93Å; N415-S418 PolarHBondContact O-OG 2.81Å; V416-S418 PolarHBondContact O-N 2.78Å
419	I	92	Very high	91.3	Very high	8 Å²	8	56.8 Å²	56.8	4%	0.041	32%	0.323	C	S	.	.	S	Bend	trans	-97.9	121.9	-179.4	-57.2	175.6	0	0	0	109	D374 R378 L414 V416 S417	D374-I419 WeakPolarHBondContact O-CG2 3.27Å; R378-I419 HydrophobicContact CB-CG2 4.06Å; R378-I419 HydrophobicContact CG-CG2 4.28Å; R378-I419 PolarHBondContact NH1-O 2.99Å; L414-I419 HydrophobicContact CD1-CD1 4.34Å; V416-I419 PolarHBondContact O-N 3.17Å; S417-I419 VanDerWaalsContact C-N 3.35Å
420	A	92.9	Very high	91	Very high	64 Å²	64	52.8 Å²	52.8	53%	0.529	31%	0.307	S	S	.	.			trans	-57.8	150.5	177.8	0	0	0	0	0	112.7	C375 T422	C375-A420 WeakPolarHBondContact CA-O 3.19Å; C375-A420 WeakPolarHBondContact CB-O 3.49Å; A420-T422 WeakPolarHBondContact CB-O 3.41Å
421	T	94.2	Very high	91	Very high	92 Å²	92	50.9 Å²	50.9	56%	0.564	30%	0.296	S	S	*	.	S	Bend	trans	-82.9	-31.7	177.5	48.4	0	0	0	0	112.9	I452	T421-I452 WeakPolarHBondContact O-CG2 3.04Å
422	T	96.2	Very high	91.3	Very high	54 Å²	54	52.6 Å²	52.6	33%	0.331	31%	0.31	S	S	.	.	S	Bend	trans	-117.4	160.5	176	56.2	0	0	0	0	109.7	A420 I452 E505	A420-T422 WeakPolarHBondContact CB-O 3.41Å; T422-I452 CarbonylContact C-O 3.51Å; T422-I452 WeakPolarHBondContact CA-O 3.45Å; T422-I452 VanDerWaalsContact CB-O 3.31Å; T422-I452 WeakPolarHBondContact CB-O 3.41Å; T422-I452 HydrophobicContact CG2-CG2 4.32Å; T422-E505 PolarHBondContact OG1-OE2 3.12Å
423	C	96.6	Very high	91.8	Very high	15 Å²	15	54 Å²	54	10%	0.101	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163	153.7	178.9	53.7	0	0	0	0	113.2	C375 I452 N503	C375-C423 HydrophobicContact CB-CB 3.63Å; C375-C423 WeakPolarHBondContact CB-SG 3.3Å; C375-C423 WeakPolarHBondContact SG-CB 3.5Å; C375-C423 CovalentContact SG-SG 1.98Å; C375-C423 PolarHBondContact SG-SG 2.97Å; C423-I452 PolarHBondContact N-O 2.97Å; C423-I452 PolarHBondContact O-N 3.05Å; C423-I452 VanDerWaalsContact O-O 3.09Å; C423-I452 PolarHBondContact SG-N 2.99Å; C423-I452 VanDerWaalsContact SG-N 3.44Å; C423-N503 PolarHBondContact O-ND2 3.34Å
424	P	97.5	Very high	92.3	Very high	73 Å²	73	53.7 Å²	53.7	47%	0.474	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	157.7	174.7	28.9	-36.4	0	0	0	111.5	E505	P424-E505 HydrophobicContact CB-CB 4.33Å
425	P	97.5	Very high	92.6	Very high	9 Å²	9	55 Å²	55	6%	0.058	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	151.4	178.6	25.8	-33.3	0	0	0	112	V450 P455 A501 N503 G506 S508	P425-V450 CarbonylContact C-O 3.36Å; P425-V450 WeakPolarHBondContact CA-O 3.29Å; P425-P455 HydrophobicContact CB-CB 3.7Å; P425-P455 HydrophobicContact CB-CG 3.98Å; P425-P455 HydrophobicContact CG-CB 4.48Å; P425-A501 HydrophobicContact CB-CB 3.91Å; P425-A501 HydrophobicContact CG-CB 4.43Å; P425-A501 VanDerWaalsContact CG-O 3.23Å; P425-A501 WeakPolarHBondContact CG-O 3.28Å; P425-N503 VanDerWaalsContact CD-OD1 3.3Å; P425-N503 WeakPolarHBondContact CD-OD1 3.2Å; P425-G506 VanDerWaalsContact CD-O 3.25Å; P425-G506 WeakPolarHBondContact CD-O 3.49Å; P425-G506 WeakPolarHBondContact CG-O 3.24Å; P425-S508 VanDerWaalsContact O-CB 3.25Å; P425-S508 WeakPolarHBondContact O-CB 3.2Å
426	R	95.8	Very high	92.8	Very high	54 Å²	54	54.9 Å²	54.9	20%	0.204	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	114.2	172	178.2	171.9	59.1	86.5	-3.9	109.6	T348 D374 A449 V450	T348-R426 PolarHBondContact OG1-NH1 3.21Å; T348-R426 PolarHBondContact OG1-NH2 2.86Å; T348-R426 VanDerWaalsContact OG1-NH2 3.13Å; D374-R426 IonicContact OD2-NH2 3.17Å; R426-A449 VanDerWaalsContact O-CA 3.29Å; R426-A449 WeakPolarHBondContact O-CA 3.21Å; R426-V450 HydrophobicContact CB-CG2 4.28Å; R426-V450 PolarHBondContact N-O 2.93Å; R426-V450 PolarHBondContact O-N 3.08Å; R426-V450 VanDerWaalsContact O-N 3.08Å
427	I	95.8	Very high	93	Very high	3 Å²	3	57.4 Å²	57.4	2%	0.015	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	127.4	174.5	-56.9	175.2	0	0	0	110.3	C447 R448 A449 C499 A501 S508 R510	I427-C447 VanDerWaalsContact CG2-SG 3.59Å; I427-R448 WeakPolarHBondContact CA-O 3.46Å; I427-A449 HydrophobicContact CG1-CB 4.1Å; I427-C499 HydrophobicContact CD1-CB 4.41Å; I427-C499 VanDerWaalsContact CD1-O 3.28Å; I427-C499 WeakPolarHBondContact CD1-O 3.49Å; I427-A501 HydrophobicContact CD1-CB 4.05Å; I427-A501 HydrophobicContact CG1-CB 3.73Å; I427-S508 VanDerWaalsContact CD1-O 3.31Å; I427-S508 WeakPolarHBondContact CD1-O 3.38Å; I427-R510 HydrophobicContact CB-CG 4.06Å; I427-R510 HydrophobicContact CD1-CB 4.31Å; I427-R510 HydrophobicContact CD1-CG 4.43Å; I427-R510 HydrophobicContact CG2-CB 4.25Å; I427-R510 HydrophobicContact CG2-CG 4.01Å; I427-R510 PolarHBondContact O-NE 2.98Å; I427-R510 PolarHBondContact O-NH2 3.21Å
428	L	93	Very high	92.7	Very high	10 Å²	10	57.4 Å²	57.4	5%	0.052	32%	0.316	C	S	.	.			trans	-76.6	151	-179.9	-55.5	-179.4	0	0	0	112	Y325 T430 R448 V450	Y325-L428 HydrophobicContact CD2-CD1 3.26Å; Y325-L428 HydrophobicContact CE2-CD1 4.1Å; Y325-L428 HydrophobicContact CG-CD1 3.76Å; L428-T430 VanDerWaalsContact C-N 3.29Å; L428-T430 HydrophobicContact CB-CG2 4.24Å; L428-T430 PolarHBondContact O-N 3.38Å; L428-T430 PolarHBondContact O-OG1 2.81Å; L428-T430 VanDerWaalsContact O-OG1 3.05Å; L428-R448 HydrophobicContact CD1-CB 4.14Å; L428-R448 PolarHBondContact N-O 2.73Å; L428-V450 HydrophobicContact CD1-CG1 4.36Å; L428-V450 HydrophobicContact CD2-CG2 4.27Å
429	Y	87.6	Confident	92.4	Very high	199 Å²	199	54.9 Å²	54.9	78%	0.78	30%	0.298	S	S	*	.	S	Bend	trans	-77.3	75.5	-179.7	-66.7	-99.5	0	0	0	111.5	R510	Y429-R510 VanDerWaalsContact CE1-CZ 3.45Å; Y429-R510 PolarHBondContact OH-NH2 3.23Å; Y429-R510 VanDerWaalsContact OH-NH2 3.16Å
430	T	85.5	Confident	91.7	Very high	16 Å²	16	54.9 Å²	54.9	10%	0.098	30%	0.3	C	S	.	.			trans	-102.1	-24.5	-172.8	35.2	0	0	0	0	112.8	R299 L428 D446 R448	R299-T430 PolarHBondContact NH1-O 3.07Å; R299-T430 VanDerWaalsContact NH1-O 3.11Å; L428-T430 VanDerWaalsContact C-N 3.29Å; L428-T430 HydrophobicContact CB-CG2 4.24Å; L428-T430 PolarHBondContact O-N 3.38Å; L428-T430 PolarHBondContact O-OG1 2.81Å; L428-T430 VanDerWaalsContact O-OG1 3.05Å; T430-D446 WeakPolarHBondContact CB-O 3.08Å; T430-D446 PolarHBondContact OG1-O 3.38Å; T430-R448 HydrophobicContact CG2-CB 4.33Å; T430-R448 HydrophobicContact CG2-CG 4.22Å
431	F	89.9	Confident	91.3	Very high	24 Å²	24	54.7 Å²	54.7	11%	0.105	29%	0.29	C	S	.	.	S	Bend	trans	-131.1	158.7	175.1	55	-96.1	0	0	0	112.2	Y445 D446 C447 W459 C499 R510 T512	F431-Y445 HydrophobicContact CB-CD1 3.84Å; F431-Y445 HydrophobicContact CG-CD1 4.23Å; F431-D446 WeakPolarHBondContact CD1-O 3.22Å; F431-C447 HydrophobicContact CE1-CB 4.08Å; F431-W459 HydrophobicContact CD1-CH2 4.41Å; F431-W459 AromaticContact CE1-CH2 3.85Å; F431-W459 HydrophobicContact CE1-CH2 3.85Å; F431-W459 HydrophobicContact CE1-CZ2 4.38Å; F431-W459 AromaticContact CZ-CH2 4Å; F431-W459 HydrophobicContact CZ-CH2 4Å; F431-C499 HydrophobicContact CE1-CB 4.43Å; F431-C499 HydrophobicContact CZ-CB 4.18Å; F431-R510 HydrophobicContact CE2-CB 4.19Å; F431-R510 HydrophobicContact CZ-CB 3.84Å; F431-T512 HydrophobicContact CD2-CG2 4.14Å; F431-T512 HydrophobicContact CE2-CG2 4.22Å
432	A	91.4	Very high	91	Very high	37 Å²	37	54 Å²	54	31%	0.306	29%	0.286	S	S	.	.			trans	-80.9	155.5	-179.1	0	0	0	0	0	112.3	T434 E435 T512	A432-T434 VanDerWaalsContact C-N 3.26Å; A432-T434 PolarHBondContact O-N 2.9Å; A432-E435 WeakPolarHBondContact CB-OE2 3.19Å; A432-T512 VanDerWaalsContact O-CB 3.3Å; A432-T512 WeakPolarHBondContact O-CB 3.09Å; A432-T512 PolarHBondContact O-OG1 3.39Å
433	P	94.9	Very high	90.8	Very high	97 Å²	97	52.2 Å²	52.2	63%	0.63	27%	0.274	S	S	*	.	S	Bend	trans	-65.5	-26.7	177.4	-21	33	0	0	0	114.1	T512 T513	P433-T512 CarbonylContact O-C 3.29Å; P433-T512 VanDerWaalsContact O-CA 3.29Å; P433-T512 WeakPolarHBondContact O-CA 3.22Å; P433-T513 PolarHBondContact O-N 3.5Å
434	T	95.7	Very high	90.7	Very high	74 Å²	74	53 Å²	53	45%	0.454	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	135.8	178.9	-54.4	0	0	0	0	109.1	A432 T513	A432-T434 VanDerWaalsContact C-N 3.26Å; A432-T434 PolarHBondContact O-N 2.9Å; T434-T513 CarbonylContact C-O 3.57Å; T434-T513 VanDerWaalsContact CA-O 3.3Å; T434-T513 WeakPolarHBondContact CA-O 3.21Å
435	E	93.8	Very high	90.6	Very high	40 Å²	40	49.6 Å²	49.6	19%	0.187	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	129.2	179.9	-151.6	73.4	-146	0	0	109.5	A432 R437 Y445 T513 N515	A432-E435 WeakPolarHBondContact CB-OE2 3.19Å; E435-R437 VanDerWaalsContact CD-NH2 3.32Å; E435-R437 HydrophobicContact CG-CG 4.48Å; E435-R437 VanDerWaalsContact CG-CZ 3.49Å; E435-R437 IonicContact OE1-CZ 3.26Å; E435-R437 IonicContact OE1-NH1 3.52Å; E435-R437 PolarHBondContact OE1-NH1 3.13Å; E435-R437 IonicContact OE1-NH2 3.77Å; E435-R437 PolarHBondContact OE1-NH2 3.25Å; E435-Y445 HydrophobicContact CB-CE1 4.4Å; E435-T513 PolarHBondContact N-O 2.93Å; E435-N515 PolarHBondContact O-N 3.38Å
436	N	93.9	Very high	90.4	Very high	98 Å²	98	49.8 Å²	49.8	52%	0.524	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	127.2	175.4	-57.3	-47.3	0	0	0	108.8	N515	N436-N515 WeakPolarHBondContact CA-O 3.44Å; N436-N515 VanDerWaalsContact OD1-CB 3.29Å; N436-N515 WeakPolarHBondContact OD1-CB 3.45Å; N436-N515 PolarHBondContact OD1-ND2 2.8Å
437	R	90.5	Very high	90.4	Very high	70 Å²	70	47.2 Å²	47.2	26%	0.264	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	160.7	-178.4	-69.3	-63.2	-177.3	-95.1	-4.8	112	E435 D441 L489 L514 N515 V516 T517	E435-R437 VanDerWaalsContact CD-NH2 3.32Å; E435-R437 HydrophobicContact CG-CG 4.48Å; E435-R437 VanDerWaalsContact CG-CZ 3.49Å; E435-R437 IonicContact OE1-CZ 3.26Å; E435-R437 IonicContact OE1-NH1 3.52Å; E435-R437 PolarHBondContact OE1-NH1 3.13Å; E435-R437 IonicContact OE1-NH2 3.77Å; E435-R437 PolarHBondContact OE1-NH2 3.25Å; R437-D441 HydrophobicContact CB-CB 4.21Å; R437-D441 WeakPolarHBondContact CD-OD2 3.1Å; R437-L489 HydrophobicContact CB-CD1 3.54Å; R437-L489 HydrophobicContact CG-CD1 3.99Å; R437-L514 HydrophobicContact CB-CD1 4.18Å; R437-L514 HydrophobicContact CG-CD1 4.08Å; R437-N515 PolarHBondContact N-O 3.34Å; R437-V516 CarbonylContact O-C 3.46Å; R437-V516 WeakPolarHBondContact O-CA 3.41Å; R437-T517 PolarHBondContact O-N 3.03Å; R437-T517 PolarHBondContact O-OG1 3.17Å
438	K	83.5	Confident	90.4	Very high	100 Å²	100	47.3 Å²	47.3	44%	0.435	25%	0.25	S	C	.	.			trans	-90.6	157.6	176	-64.9	-177.5	179.5	-175.8	0	111.1	G440 D441 T517	K438-G440 PolarHBondContact O-N 3.37Å; K438-D441 PolarHBondContact N-OD2 2.97Å; K438-D441 WeakPolarHBondContact O-CB 3.2Å; K438-D441 PolarHBondContact O-N 2.95Å; K438-D441 VanDerWaalsContact O-N 3.17Å; K438-T517 WeakPolarHBondContact CA-OG1 3.22Å
439	P	82.8	Confident	90.5	Very high	15 Å²	15	47 Å²	47	10%	0.097	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	139.5	167.9	-21.9	34.5	0	0	0	110.3	D441 L489 V516 T517 M519 L603	P439-D441 VanDerWaalsContact C-N 3.28Å; P439-D441 PolarHBondContact O-N 2.96Å; P439-L489 CarbonylContact C-O 3.57Å; P439-L489 WeakPolarHBondContact CA-O 3.37Å; P439-V516 HydrophobicContact CG-CG1 4.06Å; P439-T517 VanDerWaalsContact CD-O 3.24Å; P439-T517 WeakPolarHBondContact CD-O 3.26Å; P439-T517 VanDerWaalsContact CG-O 3.31Å; P439-T517 WeakPolarHBondContact CG-O 3.36Å; P439-M519 HydrophobicContact CB-SD 4.39Å; P439-M519 HydrophobicContact CG-CB 4.49Å; P439-M519 HydrophobicContact CG-CG 3.93Å; P439-M519 HydrophobicContact CG-SD 4.21Å; P439-L603 HydrophobicContact CB-CD2 4.26Å
440	G	77.5	Confident	90.9	Very high	8 Å²	8	37.5 Å²	37.5	8%	0.082	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	-11.3	-175.4	0	0	0	0	0	115.2	K438 L489	K438-G440 PolarHBondContact O-N 3.37Å; G440-L489 PolarHBondContact N-O 3.32Å
441	D	84.4	Confident	91.5	Very high	60 Å²	60	36.8 Å²	36.8	32%	0.321	21%	0.207	S	C	.	.			trans	-64.3	158.4	173.1	-73.3	-12.9	0	0	0	110.7	R437 K438 P439 L489	R437-D441 HydrophobicContact CB-CB 4.21Å; R437-D441 WeakPolarHBondContact CD-OD2 3.1Å; K438-D441 PolarHBondContact N-OD2 2.97Å; K438-D441 WeakPolarHBondContact O-CB 3.2Å; K438-D441 PolarHBondContact O-N 2.95Å; K438-D441 VanDerWaalsContact O-N 3.17Å; P439-D441 VanDerWaalsContact C-N 3.28Å; P439-D441 PolarHBondContact O-N 2.96Å; D441-L489 HydrophobicContact CB-CD1 4.16Å; D441-L489 WeakPolarHBondContact O-CB 3.29Å; D441-L489 WeakPolarHBondContact O-CG 3.49Å; D441-L489 PolarHBondContact O-N 2.77Å
442	T	87.4	Confident	91.8	Very high	78 Å²	78	38.4 Å²	38.4	48%	0.479	22%	0.217	S	C	.	.			trans	-106.4	131.1	166.3	-69.9	0	0	0	0	109.8	V485 L486 N487	T442-V485 HydrophobicContact CG2-CG1 4.11Å; T442-L486 CarbonylContact C-O 3.56Å; T442-L486 WeakPolarHBondContact CA-O 3.5Å; T442-N487 WeakPolarHBondContact CG2-OD1 3.49Å
443	Q	92.5	Very high	92.1	Very high	17 Å²	17	39.4 Å²	39.4	8%	0.079	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	127.9	179.2	-178.9	55.6	46.6	0	0	111.3	Y445 L486 L489	Q443-Y445 HydrophobicContact CG-CD2 4.32Å; Q443-Y445 HydrophobicContact CG-CE1 3.96Å; Q443-Y445 HydrophobicContact CG-CE2 3.65Å; Q443-Y445 VanDerWaalsContact CG-CZ 3.45Å; Q443-L486 PolarHBondContact N-O 2.84Å; Q443-L486 PolarHBondContact O-N 2.74Å; Q443-L489 HydrophobicContact CB-CD1 3.95Å
444	A	93.1	Very high	92.1	Very high	32 Å²	32	37.8 Å²	37.8	26%	0.264	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	133.6	175.7	0	0	0	0	0	111.1	T483 L484 V485	A444-T483 HydrophobicContact CB-CG2 4.27Å; A444-L484 CarbonylContact C-O 3.58Å; A444-L484 WeakPolarHBondContact CA-O 3.31Å; A444-V485 HydrophobicContact CB-CG2 4.11Å
445	Y	95.2	Very high	92.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	102.2	174.4	-59.4	-69	0	0	0	108.9	F431 E435 Q443 C447 W459 T483 L484 L486 T512 L514	F431-Y445 HydrophobicContact CB-CD1 3.84Å; F431-Y445 HydrophobicContact CG-CD1 4.23Å; E435-Y445 HydrophobicContact CB-CE1 4.4Å; Q443-Y445 HydrophobicContact CG-CD2 4.32Å; Q443-Y445 HydrophobicContact CG-CE1 3.96Å; Q443-Y445 HydrophobicContact CG-CE2 3.65Å; Q443-Y445 VanDerWaalsContact CG-CZ 3.45Å; Y445-C447 PolarHBondContact O-N 3.39Å; Y445-W459 HydrophobicContact CG-CH2 4.4Å; Y445-W459 VanDerWaalsContact O-CZ2 3.29Å; Y445-W459 WeakPolarHBondContact O-CZ2 3.26Å; Y445-T483 CarbonylContact O-C 3.45Å; Y445-T483 VanDerWaalsContact O-CA 3.3Å; Y445-T483 WeakPolarHBondContact O-CA 3.48Å; Y445-L484 HydrophobicContact CD2-CD2 4.26Å; Y445-L484 PolarHBondContact N-O 3.49Å; Y445-L484 PolarHBondContact O-N 3.07Å; Y445-L486 HydrophobicContact CE2-CD1 4.15Å; Y445-T512 HydrophobicContact CD1-CG2 3.73Å; Y445-T512 HydrophobicContact CD2-CG2 4.14Å; Y445-T512 HydrophobicContact CE1-CG2 3.56Å; Y445-T512 HydrophobicContact CE2-CG2 3.99Å; Y445-T512 HydrophobicContact CG-CG2 4Å; Y445-L514 WeakPolarHBondContact OH-CB 3.49Å
446	D	94.2	Very high	92.2	Very high	14 Å²	14	38.7 Å²	38.7	8%	0.075	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	109.3	175.6	-66.2	-63.1	0	0	0	109	K275 L300 T430 F431 R448 T483	K275-D446 IonicContact NZ-OD1 3.22Å; K275-D446 PolarHBondContact NZ-OD1 2.65Å; K275-D446 IonicContact NZ-OD2 3.2Å; L300-D446 HydrophobicContact CD2-CB 3.68Å; T430-D446 WeakPolarHBondContact CB-O 3.08Å; T430-D446 PolarHBondContact OG1-O 3.38Å; F431-D446 WeakPolarHBondContact CD1-O 3.22Å; D446-R448 IonicContact OD1-NH1 2.94Å; D446-R448 IonicContact OD1-NH2 3.5Å; D446-R448 PolarHBondContact OD1-NH2 3.26Å; D446-T483 WeakPolarHBondContact OD1-CB 3.42Å; D446-T483 WeakPolarHBondContact OD1-CG2 3.47Å; D446-T483 PolarHBondContact OD1-OG1 3.29Å
447	C	96.2	Very high	92.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.186	C	C	.	.			trans	-97.1	127	171.1	-170.6	0	0	0	0	110.6	I427 F431 Y445 I457 W459 Q482 C499	I427-C447 VanDerWaalsContact CG2-SG 3.59Å; F431-C447 HydrophobicContact CE1-CB 4.08Å; Y445-C447 PolarHBondContact O-N 3.39Å; C447-I457 HydrophobicContact CB-CG2 4.33Å; C447-W459 HydrophobicContact CB-CH2 4.26Å; C447-W459 HydrophobicContact CB-CZ2 3.49Å; C447-W459 VanDerWaalsContact CB-CZ2 3.49Å; C447-Q482 WeakPolarHBondContact CB-O 3.47Å; C447-Q482 PolarHBondContact N-O 3.44Å; C447-C499 HydrophobicContact CB-CB 3.68Å; C447-C499 WeakPolarHBondContact CB-SG 3.44Å; C447-C499 WeakPolarHBondContact SG-CB 3.4Å; C447-C499 CovalentContact SG-SG 2Å; C447-C499 PolarHBondContact SG-SG 2.89Å
448	R	95.1	Very high	92.5	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.015	20%	0.198	C	C	.	.			trans	-130.8	136.4	177.2	-56.8	-63.5	-178.2	-89.2	0.2	109	L300 E302 Y325 I427 L428 T430 D446 Q482 T483	L300-R448 HydrophobicContact CD2-CG 4.43Å; E302-R448 IonicContact OE1-NH2 2.66Å; E302-R448 PolarHBondContact OE1-NH2 3.2Å; Y325-R448 HydrophobicContact CD1-CB 3.87Å; Y325-R448 HydrophobicContact CD1-CG 3.54Å; Y325-R448 HydrophobicContact CD2-CB 4.34Å; Y325-R448 HydrophobicContact CE1-CB 4.06Å; Y325-R448 HydrophobicContact CE1-CG 3.84Å; Y325-R448 HydrophobicContact CG-CB 4.01Å; Y325-R448 HydrophobicContact CG-CG 4.1Å; I427-R448 WeakPolarHBondContact CA-O 3.46Å; L428-R448 HydrophobicContact CD1-CB 4.14Å; L428-R448 PolarHBondContact N-O 2.73Å; T430-R448 HydrophobicContact CG2-CB 4.33Å; T430-R448 HydrophobicContact CG2-CG 4.22Å; D446-R448 IonicContact OD1-NH1 2.94Å; D446-R448 IonicContact OD1-NH2 3.5Å; D446-R448 PolarHBondContact OD1-NH2 3.26Å; R448-Q482 VanDerWaalsContact CD-OE1 3.29Å; R448-T483 PolarHBondContact NH1-OG1 3.21Å; R448-T483 PolarHBondContact NH2-OG1 3.24Å; R448-T483 VanDerWaalsContact NH2-OG1 3.15Å
449	A	96	Very high	93	Very high	3 Å²	3	34 Å²	34	3%	0.025	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	145.7	-179.1	0	0	0	0	0	110.4	R426 I427 P455 I457 A501	R426-A449 VanDerWaalsContact O-CA 3.29Å; R426-A449 WeakPolarHBondContact O-CA 3.21Å; I427-A449 HydrophobicContact CG1-CB 4.1Å; A449-P455 HydrophobicContact CB-CG 3.93Å; A449-I457 HydrophobicContact CB-CD1 4.11Å; A449-I457 HydrophobicContact CB-CG1 4.37Å; A449-A501 HydrophobicContact CB-CB 3.57Å
450	V	96.2	Very high	93.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	145.8	176.1	-62.7	0	0	0	0	109.2	Y325 T349 E351 P425 R426 L428	Y325-V450 HydrophobicContact CE2-CG1 4.04Å; T349-V450 HydrophobicContact CG2-CB 4.23Å; T349-V450 HydrophobicContact CG2-CG1 3.79Å; T349-V450 HydrophobicContact CG2-CG2 4.1Å; E351-V450 HydrophobicContact CG-CG1 4.49Å; P425-V450 CarbonylContact C-O 3.36Å; P425-V450 WeakPolarHBondContact CA-O 3.29Å; R426-V450 HydrophobicContact CB-CG2 4.28Å; R426-V450 PolarHBondContact N-O 2.93Å; R426-V450 PolarHBondContact O-N 3.08Å; R426-V450 VanDerWaalsContact O-N 3.08Å; L428-V450 HydrophobicContact CD1-CG1 4.36Å; L428-V450 HydrophobicContact CD2-CG2 4.27Å
451	G	96.5	Very high	94.2	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.6	157	-178.6	0	0	0	0	0	110.5	N376 P453 Q454	N376-G451 PolarHBondContact OD1-N 2.81Å; G451-P453 CarbonylContact C-O 3.54Å; G451-P453 VanDerWaalsContact C-O 3.23Å; G451-P453 CarbonylContact O-C 3.53Å; G451-P453 VanDerWaalsContact O-C 3.23Å; G451-P453 VanDerWaalsContact O-O 3.05Å; G451-Q454 WeakPolarHBondContact O-CA 3.46Å; G451-Q454 PolarHBondContact O-N 2.8Å
452	I	97	Very high	94.3	Very high	59 Å²	59	34.8 Å²	34.8	30%	0.303	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	113.4	179.4	-57.6	-177.3	0	0	0	107.9	C375 T421 T422 C423	C375-I452 HydrophobicContact CB-CD1 4.16Å; C375-I452 WeakPolarHBondContact O-CD1 3.3Å; T421-I452 WeakPolarHBondContact O-CG2 3.04Å; T422-I452 CarbonylContact C-O 3.51Å; T422-I452 WeakPolarHBondContact CA-O 3.45Å; T422-I452 VanDerWaalsContact CB-O 3.31Å; T422-I452 WeakPolarHBondContact CB-O 3.41Å; T422-I452 HydrophobicContact CG2-CG2 4.32Å; C423-I452 PolarHBondContact N-O 2.97Å; C423-I452 PolarHBondContact O-N 3.05Å; C423-I452 VanDerWaalsContact O-O 3.09Å; C423-I452 PolarHBondContact SG-N 2.99Å; C423-I452 VanDerWaalsContact SG-N 3.44Å
453	P	97	Very high	94.3	Very high	58 Å²	58	36.1 Å²	36.1	38%	0.377	20%	0.195	S	C	.	.	S	Bend	cis	-65.8	162.6	1.5	-20.6	33.8	0	0	0	114.4	G451 N503 T504	G451-P453 CarbonylContact C-O 3.54Å; G451-P453 VanDerWaalsContact C-O 3.23Å; G451-P453 CarbonylContact O-C 3.53Å; G451-P453 VanDerWaalsContact O-C 3.23Å; G451-P453 VanDerWaalsContact O-O 3.05Å; P453-N503 WeakPolarHBondContact O-CB 3.38Å; P453-N503 PolarHBondContact O-ND2 3.45Å; P453-T504 WeakPolarHBondContact CD-OG1 3.47Å
454	Q	95.5	Very high	93.9	Very high	62 Å²	62	37.4 Å²	37.4	29%	0.29	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-54.7	126.8	-179.7	-166.9	70	11.4	0	0	111.2	E351 G451	E351-Q454 PolarHBondContact OE1-NE2 3.37Å; E351-Q454 VanDerWaalsContact OE1-NE2 3.16Å; E351-Q454 PolarHBondContact OE1-OE1 2.83Å; G451-Q454 WeakPolarHBondContact O-CA 3.46Å; G451-Q454 PolarHBondContact O-N 2.8Å
455	P	96.8	Very high	93.6	Very high	13 Å²	13	41.8 Å²	41.8	8%	0.084	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-80.1	147	-176.5	30.4	-34.7	0	0	0	114	P425 A449 A501 E502 N503	P425-P455 HydrophobicContact CB-CB 3.7Å; P425-P455 HydrophobicContact CB-CG 3.98Å; P425-P455 HydrophobicContact CG-CB 4.48Å; A449-P455 HydrophobicContact CB-CG 3.93Å; P455-A501 HydrophobicContact CB-CB 4.29Å; P455-E502 CarbonylContact C-O 3.52Å; P455-E502 VanDerWaalsContact CA-O 3.24Å; P455-E502 WeakPolarHBondContact CA-O 3.4Å; P455-N503 HydrophobicContact CB-CB 4.3Å
456	E	95.4	Very high	93.3	Very high	121 Å²	121	46 Å²	46	57%	0.565	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	135.1	168.8	-68	-173	-177.9	0	0	110.4	R458 A501 E502	E456-R458 IonicContact OE2-CZ 3.8Å; E456-R458 IonicContact OE2-NE 3.89Å; E456-R458 IonicContact OE2-NH2 2.87Å; E456-R458 PolarHBondContact OE2-NH2 3.23Å; E456-A501 VanDerWaalsContact O-CA 3.27Å; E456-A501 WeakPolarHBondContact O-CA 3.34Å; E456-E502 PolarHBondContact N-O 2.97Å; E456-E502 PolarHBondContact O-N 2.93Å
457	I	95.1	Very high	93.1	Very high	29 Å²	29	45.7 Å²	45.7	15%	0.149	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	135.2	179.3	-66.5	175.9	0	0	0	110.1	C447 A449 Q482 R500 A501	C447-I457 HydrophobicContact CB-CG2 4.33Å; A449-I457 HydrophobicContact CB-CD1 4.11Å; A449-I457 HydrophobicContact CB-CG1 4.37Å; I457-Q482 HydrophobicContact CD1-CG 4.12Å; I457-R500 CarbonylContact C-O 3.52Å; I457-R500 WeakPolarHBondContact CA-O 3.43Å; I457-A501 HydrophobicContact CG1-CB 4.4Å
458	R	94.5	Very high	92.5	Very high	137 Å²	137	49.2 Å²	49.2	52%	0.517	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	145.5	174.9	-59.4	-176.5	-170.7	-177.5	4.8	110.7	E456 R500	E456-R458 IonicContact OE2-CZ 3.8Å; E456-R458 IonicContact OE2-NE 3.89Å; E456-R458 IonicContact OE2-NH2 2.87Å; E456-R458 PolarHBondContact OE2-NH2 3.23Å; R458-R500 PolarHBondContact N-O 3.22Å; R458-R500 PolarHBondContact O-N 2.66Å
459	W	95.1	Very high	92.1	Very high	3 Å²	3	52.9 Å²	52.9	1%	0.011	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	132.8	174.6	-78.1	97.9	0	0	0	110.4	F431 Y445 C447 I467 Q482 L484 I498 C499	F431-W459 HydrophobicContact CD1-CH2 4.41Å; F431-W459 AromaticContact CE1-CH2 3.85Å; F431-W459 HydrophobicContact CE1-CH2 3.85Å; F431-W459 HydrophobicContact CE1-CZ2 4.38Å; F431-W459 AromaticContact CZ-CH2 4Å; F431-W459 HydrophobicContact CZ-CH2 4Å; Y445-W459 HydrophobicContact CG-CH2 4.4Å; Y445-W459 VanDerWaalsContact O-CZ2 3.29Å; Y445-W459 WeakPolarHBondContact O-CZ2 3.26Å; C447-W459 HydrophobicContact CB-CH2 4.26Å; C447-W459 HydrophobicContact CB-CZ2 3.49Å; C447-W459 VanDerWaalsContact CB-CZ2 3.49Å; W459-I467 HydrophobicContact CB-CB 4.16Å; W459-I467 HydrophobicContact CB-CD1 4.19Å; W459-I467 PolarHBondContact O-N 3.04Å; W459-Q482 PolarHBondContact NE1-O 2.82Å; W459-L484 HydrophobicContact CD2-CB 3.75Å; W459-L484 HydrophobicContact CD2-CD2 4.12Å; W459-L484 HydrophobicContact CE3-CB 4.26Å; W459-L484 HydrophobicContact CE3-CD2 3.88Å; W459-L484 HydrophobicContact CG-CB 4.07Å; W459-L484 HydrophobicContact CH2-CB 4.45Å; W459-L484 HydrophobicContact CZ2-CB 3.95Å; W459-L484 HydrophobicContact CZ3-CD2 4.26Å; W459-I498 WeakPolarHBondContact CA-O 3.15Å; W459-C499 HydrophobicContact CD2-CB 4.21Å; W459-C499 HydrophobicContact CE3-CB 4.04Å; W459-C499 HydrophobicContact CH2-CB 3.78Å; W459-C499 HydrophobicContact CZ2-CB 3.97Å; W459-C499 HydrophobicContact CZ3-CB 3.82Å
460	T	93.9	Very high	91.5	Very high	7 Å²	7	58.2 Å²	58.2	4%	0.043	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	147.9	175	67.1	0	0	0	0	110.6	Q465 I498 R500	T460-Q465 CarbonylContact C-O 3.53Å; T460-Q465 WeakPolarHBondContact CA-O 3.27Å; T460-I498 PolarHBondContact N-O 3.01Å; T460-I498 PolarHBondContact O-N 3.21Å; T460-R500 PolarHBondContact OG1-NE 3.11Å
461	T	91.5	Very high	91	Very high	23 Å²	23	62.7 Å²	62.7	14%	0.141	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	166	165.1	44.9	0	0	0	0	110.5	D463 G464 Q465 I467 Y497	T461-D463 WeakPolarHBondContact CB-OD1 3.45Å; T461-D463 PolarHBondContact O-N 2.98Å; T461-D463 PolarHBondContact OG1-OD1 3.26Å; T461-G464 WeakPolarHBondContact O-CA 3.16Å; T461-G464 PolarHBondContact O-N 2.96Å; T461-Q465 PolarHBondContact N-O 3.49Å; T461-Q465 WeakPolarHBondContact OG1-CB 3.32Å; T461-Q465 PolarHBondContact OG1-O 3.26Å; T461-I467 HydrophobicContact CG2-CD1 4.24Å; T461-I467 HydrophobicContact CG2-CG1 4.48Å; T461-Y497 HydrophobicContact CG2-CD1 4.18Å; T461-Y497 HydrophobicContact CG2-CE1 4.05Å
462	A	86.9	Confident	90.2	Very high	69 Å²	69	72.3 Å²	72.3	57%	0.57	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-25	-177.1	0	0	0	0	0	114.9	G464 T496	A462-G464 PolarHBondContact O-N 2.62Å; A462-T496 PolarHBondContact N-O 3.32Å
463	D	86	Confident	89.4	Confident	106 Å²	106	72.6 Å²	72.6	57%	0.567	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	0.8	172.3	66.1	-21.3	0	0	0	113.2	T461 Q465	T461-D463 WeakPolarHBondContact CB-OD1 3.45Å; T461-D463 PolarHBondContact O-N 2.98Å; T461-D463 PolarHBondContact OG1-OD1 3.26Å; D463-Q465 PolarHBondContact OD1-N 2.86Å; D463-Q465 VanDerWaalsContact OD2-CD 3.26Å; D463-Q465 WeakPolarHBondContact OD2-CG 3.42Å; D463-Q465 PolarHBondContact OD2-NE2 3.02Å
464	G	84.4	Confident	88.5	Confident	44 Å²	44	73.9 Å²	73.9	45%	0.454	40%	0.4	S	S	.	.			trans	88.3	1.5	176	0	0	0	0	0	114.7	T461 A462 T466	T461-G464 WeakPolarHBondContact O-CA 3.16Å; T461-G464 PolarHBondContact O-N 2.96Å; A462-G464 PolarHBondContact O-N 2.62Å; G464-T466 PolarHBondContact O-N 2.9Å
465	Q	87	Confident	87.9	Confident	124 Å²	124	73 Å²	73	58%	0.579	39%	0.394	S	S	*	.			trans	-67.7	127.7	175.5	-58.7	-179.1	26.1	0	0	110.1	T460 T461 D463	T460-Q465 CarbonylContact C-O 3.53Å; T460-Q465 WeakPolarHBondContact CA-O 3.27Å; T461-Q465 PolarHBondContact N-O 3.49Å; T461-Q465 WeakPolarHBondContact OG1-CB 3.32Å; T461-Q465 PolarHBondContact OG1-O 3.26Å; D463-Q465 PolarHBondContact OD1-N 2.86Å; D463-Q465 VanDerWaalsContact OD2-CD 3.26Å; D463-Q465 WeakPolarHBondContact OD2-CG 3.42Å; D463-Q465 PolarHBondContact OD2-NE2 3.02Å
466	T	88.8	Confident	87.6	Confident	89 Å²	89	75.6 Å²	75.6	55%	0.546	40%	0.402	S	S	.	.	B	Isolated β-bridge	trans	-79.4	132.8	175.5	-58.5	0	0	0	0	109.7	G464 D468	G464-T466 PolarHBondContact O-N 2.9Å; T466-D468 PolarHBondContact O-N 2.94Å
467	I	89.6	Confident	87.3	Confident	8 Å²	8	72.2 Å²	72.2	4%	0.041	39%	0.392	C	S	.	.			trans	-84.7	95.9	174.4	-58.5	172.5	0	0	0	107	W459 T461 P469 R476 V478 L484 Y497	W459-I467 HydrophobicContact CB-CB 4.16Å; W459-I467 HydrophobicContact CB-CD1 4.19Å; W459-I467 PolarHBondContact O-N 3.04Å; T461-I467 HydrophobicContact CG2-CD1 4.24Å; T461-I467 HydrophobicContact CG2-CG1 4.48Å; I467-P469 WeakPolarHBondContact O-CD 3.04Å; I467-R476 HydrophobicContact CG2-CG 4.27Å; I467-V478 HydrophobicContact CG2-CG2 3.73Å; I467-L484 HydrophobicContact CD1-CD1 3.99Å; I467-L484 HydrophobicContact CD1-CD2 4.07Å; I467-L484 HydrophobicContact CG2-CD1 4.29Å; I467-Y497 HydrophobicContact CD1-CD1 3.88Å; I467-Y497 HydrophobicContact CD1-CE1 4.12Å
468	D	85	Confident	87.1	Confident	74 Å²	74	71.9 Å²	71.9	40%	0.396	39%	0.391	S	S	.	.			trans	-70.2	120.4	179.7	-170.1	-23.1	0	0	0	110.6	T466 T470 V471	T466-D468 PolarHBondContact O-N 2.94Å; D468-T470 PolarHBondContact O-N 3.24Å; D468-T470 WeakPolarHBondContact OD1-CB 3.32Å; D468-T470 PolarHBondContact OD1-N 3.26Å; D468-T470 PolarHBondContact OD1-OG1 3.31Å; D468-T470 PolarHBondContact OD2-OG1 3.38Å; D468-V471 HydrophobicContact CB-CB 4.3Å; D468-V471 HydrophobicContact CB-CG2 3.82Å; D468-V471 PolarHBondContact O-N 3.37Å
469	P	85.6	Confident	86.8	Confident	80 Å²	80	69 Å²	69	52%	0.519	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-20.2	176.7	25.6	-34.2	0	0	0	113.7	I467 V478	I467-P469 WeakPolarHBondContact O-CD 3.04Å; P469-V478 HydrophobicContact CB-CB 4.06Å
470	T	84.5	Confident	86.3	Confident	116 Å²	116	73.9 Å²	73.9	71%	0.712	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-16.7	-178.1	68.7	0	0	0	0	113.4	D468	D468-T470 PolarHBondContact O-N 3.24Å; D468-T470 WeakPolarHBondContact OD1-CB 3.32Å; D468-T470 PolarHBondContact OD1-N 3.26Å; D468-T470 PolarHBondContact OD1-OG1 3.31Å; D468-T470 PolarHBondContact OD2-OG1 3.38Å
471	V	84.1	Confident	85.9	Confident	93 Å²	93	74.9 Å²	74.9	56%	0.564	42%	0.423	S	S	*	.	S	Bend	trans	-88.5	115.6	-179.9	178.3	0	0	0	0	109.4	D468 H473	D468-V471 HydrophobicContact CB-CB 4.3Å; D468-V471 HydrophobicContact CB-CG2 3.82Å; D468-V471 PolarHBondContact O-N 3.37Å; V471-H473 PolarHBondContact O-N 3.33Å
472	Y	79.6	Confident	85.9	Confident	203 Å²	203	75.9 Å²	75.9	80%	0.796	43%	0.426	S	S	*	.			trans	-63.5	122.9	174.4	178.3	-98.4	0	0	0	110.5
473	H	81.9	Confident	86.2	Confident	66 Å²	66	72.7 Å²	72.7	31%	0.306	40%	0.4	S	S	.	.	B	Isolated β-bridge	trans	-125.4	131.8	170.3	-175.6	-81	0	0	0	108.7	V471 R475 R476	V471-H473 PolarHBondContact O-N 3.33Å; H473-R475 PolarHBondContact ND1-N 2.94Å; H473-R475 PolarHBondContact O-N 2.88Å; H473-R475 VanDerWaalsContact O-N 3.1Å; H473-R476 HydrophobicContact CB-CB 4.05Å; H473-R476 WeakPolarHBondContact CB-O 3.42Å; H473-R476 VanDerWaalsContact ND1-CB 3.27Å; H473-R476 WeakPolarHBondContact ND1-CB 3.39Å; H473-R476 PolarHBondContact ND1-N 3.39Å; H473-R476 VanDerWaalsContact ND1-N 3.14Å; H473-R476 PolarHBondContact O-N 3.28Å; H473-R476 VanDerWaalsContact O-O 3.05Å
474	P	76.8	Confident	86.7	Confident	84 Å²	84	67.7 Å²	67.7	55%	0.545	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-25.2	-169.9	23.8	-34.4	0	0	0	113.7
475	R	84.2	Confident	87.1	Confident	43 Å²	43	66.1 Å²	66.1	16%	0.162	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.1	2	-175.1	-59.3	-173.4	-55.8	95	3.2	113.8	H473 L486 N487 H488 D493	H473-R475 PolarHBondContact ND1-N 2.94Å; H473-R475 PolarHBondContact O-N 2.88Å; H473-R475 VanDerWaalsContact O-N 3.1Å; R475-L486 WeakPolarHBondContact O-CA 3.28Å; R475-N487 WeakPolarHBondContact CB-O 3.28Å; R475-N487 PolarHBondContact O-N 3.44Å; R475-H488 HydrophobicContact CG-CB 4.22Å; R475-H488 PolarHBondContact NH1-O 2.86Å; R475-D493 IonicContact CZ-OD1 3.35Å; R475-D493 IonicContact CZ-OD2 3.63Å; R475-D493 IonicContact NH1-OD1 2.91Å; R475-D493 PolarHBondContact NH1-OD1 2.9Å; R475-D493 IonicContact NH1-OD2 2.66Å; R475-D493 PolarHBondContact NH1-OD2 3.16Å; R475-D493 IonicContact NH2-OD1 2.92Å; R475-D493 PolarHBondContact NH2-OD1 3.4Å; R475-D493 IonicContact NH2-OD2 3.73Å
476	R	88.8	Confident	87.4	Confident	68 Å²	68	60.3 Å²	60.3	26%	0.257	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	130.6	-173	-177.3	173.5	73.7	-177.4	5	110.3	I467 H473 L484 V485 L486	I467-R476 HydrophobicContact CG2-CG 4.27Å; H473-R476 HydrophobicContact CB-CB 4.05Å; H473-R476 WeakPolarHBondContact CB-O 3.42Å; H473-R476 VanDerWaalsContact ND1-CB 3.27Å; H473-R476 WeakPolarHBondContact ND1-CB 3.39Å; H473-R476 PolarHBondContact ND1-N 3.39Å; H473-R476 VanDerWaalsContact ND1-N 3.14Å; H473-R476 PolarHBondContact O-N 3.28Å; H473-R476 VanDerWaalsContact O-O 3.05Å; R476-L484 HydrophobicContact CG-CD1 3.83Å; R476-V485 WeakPolarHBondContact CA-O 3.48Å; R476-L486 HydrophobicContact CB-CD2 4.13Å; R476-L486 HydrophobicContact CG-CD2 3.76Å
477	S	89.9	Confident	87.3	Confident	51 Å²	51	58.4 Å²	58.4	36%	0.357	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	157.6	175.2	60.4	0	0	0	0	110.9	V485	S477-V485 PolarHBondContact N-O 3.39Å; S477-V485 PolarHBondContact O-N 3.17Å
478	V	91.9	Very high	87	Confident	21 Å²	21	58.5 Å²	58.5	13%	0.127	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	108.4	173	-177.3	0	0	0	0	108.4	I467 P469 T483 L484	I467-V478 HydrophobicContact CG2-CG2 3.73Å; P469-V478 HydrophobicContact CB-CB 4.06Å; V478-T483 CarbonylContact C-O 3.49Å; V478-T483 VanDerWaalsContact CA-O 3.32Å; V478-T483 WeakPolarHBondContact CA-O 3.37Å; V478-L484 HydrophobicContact CG2-CD1 4.07Å
479	I	87.3	Confident	87.1	Confident	77 Å²	77	55 Å²	55	40%	0.395	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	128.1	-178.7	-56.4	177.3	0	0	0	108.9	G481 Q482 T483 V485	I479-G481 PolarHBondContact O-N 3.21Å; I479-Q482 PolarHBondContact O-N 3.15Å; I479-T483 PolarHBondContact N-O 3.3Å; I479-T483 PolarHBondContact O-N 3.33Å; I479-V485 HydrophobicContact CD1-CG2 3.62Å; I479-V485 HydrophobicContact CG1-CG2 4.04Å
480	N	84.7	Confident	87	Confident	106 Å²	106	52.6 Å²	52.6	57%	0.567	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	21.8	-179.9	-62.7	-30.1	0	0	0	114.5	Q482	N480-Q482 PolarHBondContact O-N 2.95Å
481	G	86.3	Confident	87	Confident	27 Å²	27	52.1 Å²	52.1	28%	0.278	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.6	0.5	-174.1	0	0	0	0	0	115	I479	I479-G481 PolarHBondContact O-N 3.21Å
482	Q	91.5	Very high	87	Confident	45 Å²	45	55.9 Å²	55.9	21%	0.21	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.7	-36.5	-169.1	-65.7	-176.2	-6.5	0	0	113.5	C447 R448 I457 W459 I479 N480	C447-Q482 WeakPolarHBondContact CB-O 3.47Å; C447-Q482 PolarHBondContact N-O 3.44Å; R448-Q482 VanDerWaalsContact CD-OE1 3.29Å; I457-Q482 HydrophobicContact CD1-CG 4.12Å; W459-Q482 PolarHBondContact NE1-O 2.82Å; I479-Q482 PolarHBondContact O-N 3.15Å; N480-Q482 PolarHBondContact O-N 2.95Å
483	T	93.3	Very high	87.5	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.012	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	113.7	-175	-62.4	0	0	0	0	110.6	A444 Y445 D446 R448 V478 I479 V485	A444-T483 HydrophobicContact CB-CG2 4.27Å; Y445-T483 CarbonylContact O-C 3.45Å; Y445-T483 VanDerWaalsContact O-CA 3.3Å; Y445-T483 WeakPolarHBondContact O-CA 3.48Å; D446-T483 WeakPolarHBondContact OD1-CB 3.42Å; D446-T483 WeakPolarHBondContact OD1-CG2 3.47Å; D446-T483 PolarHBondContact OD1-OG1 3.29Å; R448-T483 PolarHBondContact NH1-OG1 3.21Å; R448-T483 PolarHBondContact NH2-OG1 3.24Å; R448-T483 VanDerWaalsContact NH2-OG1 3.15Å; V478-T483 CarbonylContact C-O 3.49Å; V478-T483 VanDerWaalsContact CA-O 3.32Å; V478-T483 WeakPolarHBondContact CA-O 3.37Å; I479-T483 PolarHBondContact N-O 3.3Å; I479-T483 PolarHBondContact O-N 3.33Å; T483-V485 HydrophobicContact CG2-CG2 3.98Å
484	L	95.1	Very high	88	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	125.1	172.6	174	64.9	0	0	0	109.3	A444 Y445 W459 I467 R476 V478 L486 Y497	A444-L484 CarbonylContact C-O 3.58Å; A444-L484 WeakPolarHBondContact CA-O 3.31Å; Y445-L484 HydrophobicContact CD2-CD2 4.26Å; Y445-L484 PolarHBondContact N-O 3.49Å; Y445-L484 PolarHBondContact O-N 3.07Å; W459-L484 HydrophobicContact CD2-CB 3.75Å; W459-L484 HydrophobicContact CD2-CD2 4.12Å; W459-L484 HydrophobicContact CE3-CB 4.26Å; W459-L484 HydrophobicContact CE3-CD2 3.88Å; W459-L484 HydrophobicContact CG-CB 4.07Å; W459-L484 HydrophobicContact CH2-CB 4.45Å; W459-L484 HydrophobicContact CZ2-CB 3.95Å; W459-L484 HydrophobicContact CZ3-CD2 4.26Å; I467-L484 HydrophobicContact CD1-CD1 3.99Å; I467-L484 HydrophobicContact CD1-CD2 4.07Å; I467-L484 HydrophobicContact CG2-CD1 4.29Å; R476-L484 HydrophobicContact CG-CD1 3.83Å; V478-L484 HydrophobicContact CG2-CD1 4.07Å; L484-L486 HydrophobicContact CD1-CD2 4.32Å; L484-L486 HydrophobicContact CG-CD2 4.49Å; L484-L486 HydrophobicContact CG-CG 4.47Å; L484-Y497 HydrophobicContact CD2-CD1 3.45Å; L484-Y497 VanDerWaalsContact CD2-CD1 3.45Å; L484-Y497 HydrophobicContact CD2-CE1 4.08Å; L484-Y497 HydrophobicContact CD2-CG 3.85Å
485	V	93	Very high	88.9	Confident	12 Å²	12	45 Å²	45	7%	0.073	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	125.4	176.5	-173.5	0	0	0	0	109.5	T442 A444 R476 S477 I479 T483 N487	T442-V485 HydrophobicContact CG2-CG1 4.11Å; A444-V485 HydrophobicContact CB-CG2 4.11Å; R476-V485 WeakPolarHBondContact CA-O 3.48Å; S477-V485 PolarHBondContact N-O 3.39Å; S477-V485 PolarHBondContact O-N 3.17Å; I479-V485 HydrophobicContact CD1-CG2 3.62Å; I479-V485 HydrophobicContact CG1-CG2 4.04Å; T483-V485 HydrophobicContact CG2-CG2 3.98Å; V485-N487 WeakPolarHBondContact CG1-OD1 3.23Å
486	L	93.2	Very high	89.4	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	108	173.9	-56.6	172	0	0	0	107.4	T442 Q443 Y445 R475 R476 L484 L489 Y497 L514	T442-L486 CarbonylContact C-O 3.56Å; T442-L486 WeakPolarHBondContact CA-O 3.5Å; Q443-L486 PolarHBondContact N-O 2.84Å; Q443-L486 PolarHBondContact O-N 2.74Å; Y445-L486 HydrophobicContact CE2-CD1 4.15Å; R475-L486 WeakPolarHBondContact O-CA 3.28Å; R476-L486 HydrophobicContact CB-CD2 4.13Å; R476-L486 HydrophobicContact CG-CD2 3.76Å; L484-L486 HydrophobicContact CD1-CD2 4.32Å; L484-L486 HydrophobicContact CG-CD2 4.49Å; L484-L486 HydrophobicContact CG-CG 4.47Å; L486-L489 HydrophobicContact CB-CD2 3.62Å; L486-L489 HydrophobicContact CD1-CD2 4.24Å; L486-Y497 HydrophobicContact CD1-CD2 4.44Å; L486-Y497 HydrophobicContact CD1-CE1 4.28Å; L486-Y497 HydrophobicContact CD1-CE2 3.77Å; L486-Y497 HydrophobicContact CD2-CE1 4.33Å; L486-L514 HydrophobicContact CD1-CD2 3.63Å
487	N	87.6	Confident	89.8	Confident	49 Å²	49	42.3 Å²	42.3	26%	0.262	23%	0.23	S	C	.	.			trans	-94.2	155.3	176.3	-62	-25.5	0	0	0	108.9	T442 R475 V485 L489	T442-N487 WeakPolarHBondContact CG2-OD1 3.49Å; R475-N487 WeakPolarHBondContact CB-O 3.28Å; R475-N487 PolarHBondContact O-N 3.44Å; V485-N487 WeakPolarHBondContact CG1-OD1 3.23Å; N487-L489 PolarHBondContact O-N 2.93Å
488	H	82.7	Confident	90.1	Very high	11 Å²	11	41.1 Å²	41.1	5%	0.051	22%	0.219	C	C	.	.	S	Bend	trans	55.5	54.7	172.1	-50	106.6	0	0	0	112.4	R475 T490 D595 V599 V601	R475-H488 HydrophobicContact CG-CB 4.22Å; R475-H488 PolarHBondContact NH1-O 2.86Å; H488-T490 PolarHBondContact O-N 3.15Å; H488-D595 WeakPolarHBondContact CD2-CB 3.42Å; H488-D595 IonicContact CD2-OD2 3.95Å; H488-D595 PolarHBondContact CD2-OD2 3.17Å; H488-D595 IonicContact CG-OD2 3.62Å; H488-D595 WeakPolarHBondContact NE2-CB 3.18Å; H488-D595 IonicContact NE2-OD2 2.77Å; H488-D595 PolarHBondContact NE2-OD2 2.81Å; H488-V599 HydrophobicContact CB-CG1 4.24Å; H488-V601 HydrophobicContact CB-CG2 4.18Å
489	L	86.9	Confident	90.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.213	C	C	.	.			trans	-56.5	137.5	-173	-76.4	-178.2	0	0	0	112.6	R437 P439 G440 D441 Q443 L486 N487 D493 L514 V516	R437-L489 HydrophobicContact CB-CD1 3.54Å; R437-L489 HydrophobicContact CG-CD1 3.99Å; P439-L489 CarbonylContact C-O 3.57Å; P439-L489 WeakPolarHBondContact CA-O 3.37Å; G440-L489 PolarHBondContact N-O 3.32Å; D441-L489 HydrophobicContact CB-CD1 4.16Å; D441-L489 WeakPolarHBondContact O-CB 3.29Å; D441-L489 WeakPolarHBondContact O-CG 3.49Å; D441-L489 PolarHBondContact O-N 2.77Å; Q443-L489 HydrophobicContact CB-CD1 3.95Å; L486-L489 HydrophobicContact CB-CD2 3.62Å; L486-L489 HydrophobicContact CD1-CD2 4.24Å; N487-L489 PolarHBondContact O-N 2.93Å; L489-D493 HydrophobicContact CD2-CB 4.03Å; L489-L514 HydrophobicContact CD1-CD1 4.16Å; L489-L514 HydrophobicContact CD1-CD2 4.18Å; L489-L514 HydrophobicContact CD2-CD2 3.61Å; L489-V516 HydrophobicContact CB-CG2 4.44Å
490	T	84.1	Confident	90.7	Very high	29 Å²	29	40.5 Å²	40.5	18%	0.178	21%	0.21	C	C	.	.			trans	-130.7	169.7	176.7	67	0	0	0	0	109.9	H488 E492 D493 V516 V601	H488-T490 PolarHBondContact O-N 3.15Å; T490-E492 PolarHBondContact O-N 3.25Å; T490-E492 PolarHBondContact OG1-N 3.48Å; T490-D493 WeakPolarHBondContact CA-OD2 3.22Å; T490-D493 PolarHBondContact N-OD2 2.97Å; T490-D493 PolarHBondContact O-N 3.35Å; T490-D493 VanDerWaalsContact O-N 3.15Å; T490-D493 PolarHBondContact OG1-OD2 3.39Å; T490-V516 WeakPolarHBondContact O-CG2 3.44Å; T490-V601 HydrophobicContact CG2-CG1 4.31Å
491	K	84	Confident	91.3	Very high	107 Å²	107	35.5 Å²	35.5	47%	0.465	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-62.1	-26.3	176.7	-166.9	55.9	163.7	-174.5	0	113	D493 Q494 V516	K491-D493 VanDerWaalsContact C-N 3.27Å; K491-D493 PolarHBondContact O-N 2.9Å; K491-Q494 VanDerWaalsContact O-CB 3.25Å; K491-Q494 WeakPolarHBondContact O-CB 3.2Å; K491-Q494 PolarHBondContact O-N 2.67Å; K491-V516 PolarHBondContact NZ-O 2.65Å
492	E	85.2	Confident	91.8	Very high	171 Å²	171	39.9 Å²	39.9	80%	0.799	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-69.7	-24.2	178.5	-61.7	178.1	177.8	0	0	112.8	T490 Q494	T490-E492 PolarHBondContact O-N 3.25Å; T490-E492 PolarHBondContact OG1-N 3.48Å; E492-Q494 VanDerWaalsContact C-N 3.27Å; E492-Q494 PolarHBondContact O-N 2.9Å
493	D	89.5	Confident	92.1	Very high	14 Å²	14	38.7 Å²	38.7	8%	0.075	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-83	-7.9	178.4	-46.3	-60.2	0	0	0	112.6	R475 L489 T490 K491 G495 Y497 L514	R475-D493 IonicContact CZ-OD1 3.35Å; R475-D493 IonicContact CZ-OD2 3.63Å; R475-D493 IonicContact NH1-OD1 2.91Å; R475-D493 PolarHBondContact NH1-OD1 2.9Å; R475-D493 IonicContact NH1-OD2 2.66Å; R475-D493 PolarHBondContact NH1-OD2 3.16Å; R475-D493 IonicContact NH2-OD1 2.92Å; R475-D493 PolarHBondContact NH2-OD1 3.4Å; R475-D493 IonicContact NH2-OD2 3.73Å; L489-D493 HydrophobicContact CD2-CB 4.03Å; T490-D493 WeakPolarHBondContact CA-OD2 3.22Å; T490-D493 PolarHBondContact N-OD2 2.97Å; T490-D493 PolarHBondContact O-N 3.35Å; T490-D493 VanDerWaalsContact O-N 3.15Å; T490-D493 PolarHBondContact OG1-OD2 3.39Å; K491-D493 VanDerWaalsContact C-N 3.27Å; K491-D493 PolarHBondContact O-N 2.9Å; D493-G495 PolarHBondContact O-N 3.14Å; D493-Y497 WeakPolarHBondContact O-CE2 3.21Å; D493-Y497 PolarHBondContact O-OH 2.82Å; D493-L514 HydrophobicContact CB-CD2 4.48Å
494	Q	92.9	Very high	92.3	Very high	84 Å²	84	44 Å²	44	39%	0.393	22%	0.224	S	C	.	.			trans	-61	128.9	174.7	172.4	169.7	-53.3	0	0	109.8	K491 E492 L514 V516	K491-Q494 VanDerWaalsContact O-CB 3.25Å; K491-Q494 WeakPolarHBondContact O-CB 3.2Å; K491-Q494 PolarHBondContact O-N 2.67Å; E492-Q494 VanDerWaalsContact C-N 3.27Å; E492-Q494 PolarHBondContact O-N 2.9Å; Q494-L514 WeakPolarHBondContact CA-O 3.22Å; Q494-L514 WeakPolarHBondContact CG-O 3.35Å; Q494-V516 HydrophobicContact CB-CG2 4.47Å
495	G	94.3	Very high	92.4	Very high	26 Å²	26	48.3 Å²	48.3	27%	0.268	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	162.8	-174.6	-179.4	0	0	0	0	0	112.1	D493 L514	D493-G495 PolarHBondContact O-N 3.14Å; G495-L514 PolarHBondContact N-O 3.08Å; G495-L514 VanDerWaalsContact N-O 3.12Å; G495-L514 PolarHBondContact O-N 3.21Å
496	T	96.2	Very high	92.6	Very high	41 Å²	41	49 Å²	49	25%	0.252	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	125.6	178.6	-59.1	0	0	0	0	110	A462 I498 A511 T512 T513	A462-T496 PolarHBondContact N-O 3.32Å; T496-I498 HydrophobicContact CG2-CG1 4.39Å; T496-A511 HydrophobicContact CG2-CB 3.8Å; T496-T512 CarbonylContact C-O 3.51Å; T496-T512 WeakPolarHBondContact CA-O 3.24Å; T496-T513 PolarHBondContact OG1-OG1 3.07Å
497	Y	95.9	Very high	92.8	Very high	14 Å²	14	57.6 Å²	57.6	6%	0.055	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	131.9	177	-62.4	-89.4	0	0	0	109	T461 I467 L484 L486 D493 A511 T512 L514	T461-Y497 HydrophobicContact CG2-CD1 4.18Å; T461-Y497 HydrophobicContact CG2-CE1 4.05Å; I467-Y497 HydrophobicContact CD1-CD1 3.88Å; I467-Y497 HydrophobicContact CD1-CE1 4.12Å; L484-Y497 HydrophobicContact CD2-CD1 3.45Å; L484-Y497 VanDerWaalsContact CD2-CD1 3.45Å; L484-Y497 HydrophobicContact CD2-CE1 4.08Å; L484-Y497 HydrophobicContact CD2-CG 3.85Å; L486-Y497 HydrophobicContact CD1-CD2 4.44Å; L486-Y497 HydrophobicContact CD1-CE1 4.28Å; L486-Y497 HydrophobicContact CD1-CE2 3.77Å; L486-Y497 HydrophobicContact CD2-CE1 4.33Å; D493-Y497 WeakPolarHBondContact O-CE2 3.21Å; D493-Y497 PolarHBondContact O-OH 2.82Å; Y497-A511 CarbonylContact O-C 3.59Å; Y497-A511 VanDerWaalsContact O-CA 3.31Å; Y497-A511 WeakPolarHBondContact O-CA 3.39Å; Y497-T512 PolarHBondContact N-O 3.13Å; Y497-T512 PolarHBondContact O-N 3.3Å; Y497-L514 HydrophobicContact CD2-CB 4.39Å; Y497-L514 HydrophobicContact CE2-CB 4.11Å; Y497-L514 HydrophobicContact CE2-CD2 4.3Å
498	I	96.2	Very high	93.3	Very high	26 Å²	26	56.7 Å²	56.7	13%	0.133	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	119.3	-174.8	-52.1	173.7	0	0	0	108.1	W459 T460 T496 R500 E509 R510 A511	W459-I498 WeakPolarHBondContact CA-O 3.15Å; T460-I498 PolarHBondContact N-O 3.01Å; T460-I498 PolarHBondContact O-N 3.21Å; T496-I498 HydrophobicContact CG2-CG1 4.39Å; I498-R500 HydrophobicContact CG2-CG 3.96Å; I498-E509 HydrophobicContact CG2-CB 4.14Å; I498-R510 CarbonylContact C-O 3.34Å; I498-R510 WeakPolarHBondContact CA-O 3.26Å; I498-A511 HydrophobicContact CG1-CB 4.05Å
499	C	96.6	Very high	93.9	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	129	164.3	179.7	0	0	0	0	109.3	I427 F431 C447 W459 E509 R510	I427-C499 HydrophobicContact CD1-CB 4.41Å; I427-C499 VanDerWaalsContact CD1-O 3.28Å; I427-C499 WeakPolarHBondContact CD1-O 3.49Å; F431-C499 HydrophobicContact CE1-CB 4.43Å; F431-C499 HydrophobicContact CZ-CB 4.18Å; C447-C499 HydrophobicContact CB-CB 3.68Å; C447-C499 WeakPolarHBondContact CB-SG 3.44Å; C447-C499 WeakPolarHBondContact SG-CB 3.4Å; C447-C499 CovalentContact SG-SG 2Å; C447-C499 PolarHBondContact SG-SG 2.89Å; W459-C499 HydrophobicContact CD2-CB 4.21Å; W459-C499 HydrophobicContact CE3-CB 4.04Å; W459-C499 HydrophobicContact CH2-CB 3.78Å; W459-C499 HydrophobicContact CZ2-CB 3.97Å; W459-C499 HydrophobicContact CZ3-CB 3.82Å; C499-E509 CarbonylContact O-C 3.33Å; C499-E509 VanDerWaalsContact O-CA 3.29Å; C499-E509 WeakPolarHBondContact O-CA 3.5Å; C499-R510 PolarHBondContact N-O 2.93Å; C499-R510 PolarHBondContact O-N 2.82Å
500	R	95.7	Very high	94.3	Very high	86 Å²	86	62.9 Å²	62.9	33%	0.325	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	134.6	176.1	-54.2	-171.1	177.6	-145.3	3.6	109.6	I457 R458 T460 I498 E509	I457-R500 CarbonylContact C-O 3.52Å; I457-R500 WeakPolarHBondContact CA-O 3.43Å; R458-R500 PolarHBondContact N-O 3.22Å; R458-R500 PolarHBondContact O-N 2.66Å; T460-R500 PolarHBondContact OG1-NE 3.11Å; I498-R500 HydrophobicContact CG2-CG 3.96Å; R500-E509 HydrophobicContact CB-CG 4.15Å; R500-E509 WeakPolarHBondContact CD-OE1 3.44Å; R500-E509 HydrophobicContact CG-CB 4.43Å; R500-E509 HydrophobicContact CG-CG 3.77Å; R500-E509 IonicContact CZ-OE1 2.67Å; R500-E509 IonicContact CZ-OE2 3.26Å; R500-E509 IonicContact NE-OE1 2.9Å; R500-E509 PolarHBondContact NE-OE1 3.26Å; R500-E509 IonicContact NE-OE2 3.15Å; R500-E509 IonicContact NH1-OE1 2.65Å; R500-E509 PolarHBondContact NH1-OE1 3.14Å; R500-E509 IonicContact NH1-OE2 3.77Å; R500-E509 IonicContact NH2-OE2 3.32Å
501	A	97.1	Very high	94.9	Very high	1 Å²	1	64 Å²	64	1%	0.008	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	131.5	174.5	0	0	0	0	0	109.5	P425 I427 A449 P455 E456 I457 R507 S508	P425-A501 HydrophobicContact CB-CB 3.91Å; P425-A501 HydrophobicContact CG-CB 4.43Å; P425-A501 VanDerWaalsContact CG-O 3.23Å; P425-A501 WeakPolarHBondContact CG-O 3.28Å; I427-A501 HydrophobicContact CD1-CB 4.05Å; I427-A501 HydrophobicContact CG1-CB 3.73Å; A449-A501 HydrophobicContact CB-CB 3.57Å; P455-A501 HydrophobicContact CB-CB 4.29Å; E456-A501 VanDerWaalsContact O-CA 3.27Å; E456-A501 WeakPolarHBondContact O-CA 3.34Å; I457-A501 HydrophobicContact CG1-CB 4.4Å; A501-R507 CarbonylContact O-C 3.57Å; A501-R507 VanDerWaalsContact O-CA 3.3Å; A501-R507 WeakPolarHBondContact O-CA 3.16Å; A501-S508 PolarHBondContact N-O 3.44Å; A501-S508 PolarHBondContact O-N 3.39Å
502	E	97.5	Very high	95.5	Very high	118 Å²	118	58.9 Å²	58.9	55%	0.551	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.4	138.5	-174.6	-172.9	168.3	-162.9	0	0	111.9	P455 E456 R507	P455-E502 CarbonylContact C-O 3.52Å; P455-E502 VanDerWaalsContact CA-O 3.24Å; P455-E502 WeakPolarHBondContact CA-O 3.4Å; E456-E502 PolarHBondContact N-O 2.97Å; E456-E502 PolarHBondContact O-N 2.93Å; E502-R507 HydrophobicContact CB-CB 4.48Å; E502-R507 HydrophobicContact CG-CB 4.36Å
503	N	97.5	Very high	96.1	Very high	21 Å²	21	52.8 Å²	52.8	11%	0.112	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	-175.1	167.9	73.7	7.8	0	0	0	109.8	C423 P425 P453 P455 E505 G506	C423-N503 PolarHBondContact O-ND2 3.34Å; P425-N503 VanDerWaalsContact CD-OD1 3.3Å; P425-N503 WeakPolarHBondContact CD-OD1 3.2Å; P453-N503 WeakPolarHBondContact O-CB 3.38Å; P453-N503 PolarHBondContact O-ND2 3.45Å; P455-N503 HydrophobicContact CB-CB 4.3Å; N503-E505 PolarHBondContact O-N 3.17Å; N503-E505 WeakPolarHBondContact OD1-CA 3.16Å; N503-E505 WeakPolarHBondContact OD1-CB 3.44Å; N503-E505 PolarHBondContact OD1-N 2.8Å; N503-G506 PolarHBondContact N-O 3.02Å; N503-G506 PolarHBondContact O-N 3.39Å; N503-G506 VanDerWaalsContact O-O 3.07Å; N503-G506 PolarHBondContact OD1-N 3Å; N503-G506 VanDerWaalsContact OD1-N 3.15Å; N503-G506 PolarHBondContact OD1-O 2.6Å
504	T	97.8	Very high	96.4	Very high	114 Å²	114	52.1 Å²	52.1	70%	0.699	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-23	-179.4	54.4	0	0	0	0	114.5	P453	P453-T504 WeakPolarHBondContact CD-OG1 3.47Å
505	E	97	Very high	96.5	Very high	90 Å²	90	50.6 Å²	50.6	42%	0.421	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-13.8	-177.3	-53.2	-61.3	111.8	0	0	112.5	T422 P424 N503	T422-E505 PolarHBondContact OG1-OE2 3.12Å; P424-E505 HydrophobicContact CB-CB 4.33Å; N503-E505 PolarHBondContact O-N 3.17Å; N503-E505 WeakPolarHBondContact OD1-CA 3.16Å; N503-E505 WeakPolarHBondContact OD1-CB 3.44Å; N503-E505 PolarHBondContact OD1-N 2.8Å
506	G	97.5	Very high	96.2	Very high	26 Å²	26	49.5 Å²	49.5	27%	0.268	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	152.9	-158.9	175.4	0	0	0	0	0	114.4	P425 N503	P425-G506 VanDerWaalsContact CD-O 3.25Å; P425-G506 WeakPolarHBondContact CD-O 3.49Å; P425-G506 WeakPolarHBondContact CG-O 3.24Å; N503-G506 PolarHBondContact N-O 3.02Å; N503-G506 PolarHBondContact O-N 3.39Å; N503-G506 VanDerWaalsContact O-O 3.07Å; N503-G506 PolarHBondContact OD1-N 3Å; N503-G506 VanDerWaalsContact OD1-N 3.15Å; N503-G506 PolarHBondContact OD1-O 2.6Å
507	R	97.1	Very high	95.6	Very high	182 Å²	182	50.7 Å²	50.7	69%	0.687	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.2	152.7	-174.4	65.4	179.8	-178.6	-176.4	0.6	112.4	A501 E502	A501-R507 CarbonylContact O-C 3.57Å; A501-R507 VanDerWaalsContact O-CA 3.3Å; A501-R507 WeakPolarHBondContact O-CA 3.16Å; E502-R507 HydrophobicContact CB-CB 4.48Å; E502-R507 HydrophobicContact CG-CB 4.36Å
508	S	97.3	Very high	94.5	Very high	30 Å²	30	57 Å²	57	21%	0.21	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	141.3	175.8	-173.6	0	0	0	0	109.4	P425 I427 A501	P425-S508 VanDerWaalsContact O-CB 3.25Å; P425-S508 WeakPolarHBondContact O-CB 3.2Å; I427-S508 VanDerWaalsContact CD1-O 3.31Å; I427-S508 WeakPolarHBondContact CD1-O 3.38Å; A501-S508 PolarHBondContact N-O 3.44Å; A501-S508 PolarHBondContact O-N 3.39Å
509	E	96	Very high	93.2	Very high	80 Å²	80	58 Å²	58	37%	0.374	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	145.8	-178.7	-54.8	-170.7	171.3	0	0	110.5	I498 C499 R500	I498-E509 HydrophobicContact CG2-CB 4.14Å; C499-E509 CarbonylContact O-C 3.33Å; C499-E509 VanDerWaalsContact O-CA 3.29Å; C499-E509 WeakPolarHBondContact O-CA 3.5Å; R500-E509 HydrophobicContact CB-CG 4.15Å; R500-E509 WeakPolarHBondContact CD-OE1 3.44Å; R500-E509 HydrophobicContact CG-CB 4.43Å; R500-E509 HydrophobicContact CG-CG 3.77Å; R500-E509 IonicContact CZ-OE1 2.67Å; R500-E509 IonicContact CZ-OE2 3.26Å; R500-E509 IonicContact NE-OE1 2.9Å; R500-E509 PolarHBondContact NE-OE1 3.26Å; R500-E509 IonicContact NE-OE2 3.15Å; R500-E509 IonicContact NH1-OE1 2.65Å; R500-E509 PolarHBondContact NH1-OE1 3.14Å; R500-E509 IonicContact NH1-OE2 3.77Å; R500-E509 IonicContact NH2-OE2 3.32Å
510	R	95.7	Very high	92	Very high	61 Å²	61	65 Å²	65	23%	0.23	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	135.7	170.8	-81.5	-169.5	-177.5	-90.4	-16.1	110.2	I427 Y429 F431 I498 C499	I427-R510 HydrophobicContact CB-CG 4.06Å; I427-R510 HydrophobicContact CD1-CB 4.31Å; I427-R510 HydrophobicContact CD1-CG 4.43Å; I427-R510 HydrophobicContact CG2-CB 4.25Å; I427-R510 HydrophobicContact CG2-CG 4.01Å; I427-R510 PolarHBondContact O-NE 2.98Å; I427-R510 PolarHBondContact O-NH2 3.21Å; Y429-R510 VanDerWaalsContact CE1-CZ 3.45Å; Y429-R510 PolarHBondContact OH-NH2 3.23Å; Y429-R510 VanDerWaalsContact OH-NH2 3.16Å; F431-R510 HydrophobicContact CE2-CB 4.19Å; F431-R510 HydrophobicContact CZ-CB 3.84Å; I498-R510 CarbonylContact C-O 3.34Å; I498-R510 WeakPolarHBondContact CA-O 3.26Å; C499-R510 PolarHBondContact N-O 2.93Å; C499-R510 PolarHBondContact O-N 2.82Å
511	A	96	Very high	91.3	Very high	51 Å²	51	61.1 Å²	61.1	42%	0.421	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	148.4	177.8	0	0	0	0	0	111.6	T496 Y497 I498	T496-A511 HydrophobicContact CG2-CB 3.8Å; Y497-A511 CarbonylContact O-C 3.59Å; Y497-A511 VanDerWaalsContact O-CA 3.31Å; Y497-A511 WeakPolarHBondContact O-CA 3.39Å; I498-A511 HydrophobicContact CG1-CB 4.05Å
512	T	96.6	Very high	90.7	Very high	0 Å²	0	65 Å²	65	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	136.7	166.3	-172.5	0	0	0	0	109.6	F431 A432 P433 Y445 T496 Y497	F431-T512 HydrophobicContact CD2-CG2 4.14Å; F431-T512 HydrophobicContact CE2-CG2 4.22Å; A432-T512 VanDerWaalsContact O-CB 3.3Å; A432-T512 WeakPolarHBondContact O-CB 3.09Å; A432-T512 PolarHBondContact O-OG1 3.39Å; P433-T512 CarbonylContact O-C 3.29Å; P433-T512 VanDerWaalsContact O-CA 3.29Å; P433-T512 WeakPolarHBondContact O-CA 3.22Å; Y445-T512 HydrophobicContact CD1-CG2 3.73Å; Y445-T512 HydrophobicContact CD2-CG2 4.14Å; Y445-T512 HydrophobicContact CE1-CG2 3.56Å; Y445-T512 HydrophobicContact CE2-CG2 3.99Å; Y445-T512 HydrophobicContact CG-CG2 4Å; T496-T512 CarbonylContact C-O 3.51Å; T496-T512 WeakPolarHBondContact CA-O 3.24Å; Y497-T512 PolarHBondContact N-O 3.13Å; Y497-T512 PolarHBondContact O-N 3.3Å
513	T	96.8	Very high	90.3	Very high	43 Å²	43	59.7 Å²	59.7	26%	0.264	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	113.9	177.1	-60.6	0	0	0	0	109.4	P433 T434 E435 T496	P433-T513 PolarHBondContact O-N 3.5Å; T434-T513 CarbonylContact C-O 3.57Å; T434-T513 VanDerWaalsContact CA-O 3.3Å; T434-T513 WeakPolarHBondContact CA-O 3.21Å; E435-T513 PolarHBondContact N-O 2.93Å; T496-T513 PolarHBondContact OG1-OG1 3.07Å
514	L	96.3	Very high	90	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	120	173	177.2	61.9	0	0	0	109.2	R437 Y445 L486 L489 D493 Q494 G495 Y497 V516	R437-L514 HydrophobicContact CB-CD1 4.18Å; R437-L514 HydrophobicContact CG-CD1 4.08Å; Y445-L514 WeakPolarHBondContact OH-CB 3.49Å; L486-L514 HydrophobicContact CD1-CD2 3.63Å; L489-L514 HydrophobicContact CD1-CD1 4.16Å; L489-L514 HydrophobicContact CD1-CD2 4.18Å; L489-L514 HydrophobicContact CD2-CD2 3.61Å; D493-L514 HydrophobicContact CB-CD2 4.48Å; Q494-L514 WeakPolarHBondContact CA-O 3.22Å; Q494-L514 WeakPolarHBondContact CG-O 3.35Å; G495-L514 PolarHBondContact N-O 3.08Å; G495-L514 VanDerWaalsContact N-O 3.12Å; G495-L514 PolarHBondContact O-N 3.21Å; Y497-L514 HydrophobicContact CD2-CB 4.39Å; Y497-L514 HydrophobicContact CE2-CB 4.11Å; Y497-L514 HydrophobicContact CE2-CD2 4.3Å; L514-V516 HydrophobicContact CD1-CG2 4.48Å; L514-V516 HydrophobicContact CD2-CG2 4.18Å; L514-V516 HydrophobicContact CG-CG2 4.06Å
515	N	94.8	Very high	89.8	Confident	53 Å²	53	60.6 Å²	60.6	28%	0.283	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	125.9	167.9	-62.3	-40.7	0	0	0	109.4	E435 N436 R437	E435-N515 PolarHBondContact O-N 3.38Å; N436-N515 WeakPolarHBondContact CA-O 3.44Å; N436-N515 VanDerWaalsContact OD1-CB 3.29Å; N436-N515 WeakPolarHBondContact OD1-CB 3.45Å; N436-N515 PolarHBondContact OD1-ND2 2.8Å; R437-N515 PolarHBondContact N-O 3.34Å
516	V	89.6	Confident	89.5	Confident	3 Å²	3	60.3 Å²	60.3	2%	0.018	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	118.1	175.3	-174.4	0	0	0	0	108.5	R437 P439 L489 T490 K491 Q494 L514	R437-V516 CarbonylContact O-C 3.46Å; R437-V516 WeakPolarHBondContact O-CA 3.41Å; P439-V516 HydrophobicContact CG-CG1 4.06Å; L489-V516 HydrophobicContact CB-CG2 4.44Å; T490-V516 WeakPolarHBondContact O-CG2 3.44Å; K491-V516 PolarHBondContact NZ-O 2.65Å; Q494-V516 HydrophobicContact CB-CG2 4.47Å; L514-V516 HydrophobicContact CD1-CG2 4.48Å; L514-V516 HydrophobicContact CD2-CG2 4.18Å; L514-V516 HydrophobicContact CG-CG2 4.06Å
517	T	82.6	Confident	89.2	Confident	65 Å²	65	64.9 Å²	64.9	40%	0.399	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-61.8	138.6	179.3	59.1	0	0	0	0	109.7	R437 K438 P439 M519	R437-T517 PolarHBondContact O-N 3.03Å; R437-T517 PolarHBondContact O-OG1 3.17Å; K438-T517 WeakPolarHBondContact CA-OG1 3.22Å; P439-T517 VanDerWaalsContact CD-O 3.24Å; P439-T517 WeakPolarHBondContact CD-O 3.26Å; P439-T517 VanDerWaalsContact CG-O 3.31Å; P439-T517 WeakPolarHBondContact CG-O 3.36Å; T517-M519 PolarHBondContact O-N 2.68Å
518	E	72.2	Confident	89	Confident	146 Å²	146	58.2 Å²	58.2	68%	0.682	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-78.9	119.9	173.2	-167.8	167.3	-163.6	0	0	109.3	Q520	E518-Q520 PolarHBondContact O-N 2.96Å
519	M	70.5	Confident	88.8	Confident	48 Å²	48	58.1 Å²	58.1	24%	0.236	30%	0.303	C	S	.	.			trans	-75.5	115.9	167.7	-77.3	-176.2	129.3	0	0	107.8	P439 T517 V521 F550 L603	P439-M519 HydrophobicContact CB-SD 4.39Å; P439-M519 HydrophobicContact CG-CB 4.49Å; P439-M519 HydrophobicContact CG-CG 3.93Å; P439-M519 HydrophobicContact CG-SD 4.21Å; T517-M519 PolarHBondContact O-N 2.68Å; M519-V521 HydrophobicContact CB-CG2 4.23Å; M519-V521 PolarHBondContact O-N 2.74Å; M519-F550 HydrophobicContact CE-CZ 4.42Å; M519-L603 HydrophobicContact SD-CD1 4.23Å; M519-L603 HydrophobicContact SD-CD2 4.01Å
520	Q	71	Confident	88.5	Confident	146 Å²	146	55.1 Å²	55.1	68%	0.682	29%	0.292	S	S	*	.			trans	-73.8	58.6	174	-64.8	-172.3	2.1	0	0	111.1	E518 N538	E518-Q520 PolarHBondContact O-N 2.96Å; Q520-N538 PolarHBondContact O-OD1 2.92Å; Q520-N538 VanDerWaalsContact O-OD1 3.1Å
521	V	80.7	Confident	88.3	Confident	5 Å²	5	55.3 Å²	55.3	3%	0.03	30%	0.3	C	S	.	.			trans	-110.6	105.8	175.6	-179.5	0	0	0	0	107.2	M519 F550 I591 S604	M519-V521 HydrophobicContact CB-CG2 4.23Å; M519-V521 PolarHBondContact O-N 2.74Å; V521-F550 HydrophobicContact CG2-CZ 4.16Å; V521-I591 HydrophobicContact CG1-CD1 3.82Å; V521-I591 HydrophobicContact CG1-CG1 4.36Å; V521-I591 HydrophobicContact CG1-CG2 3.73Å; V521-S604 WeakPolarHBondContact O-CB 3.34Å
522	H	85	Confident	88.1	Confident	83 Å²	83	54 Å²	54	38%	0.384	29%	0.288	S	S	.	.			trans	-119.5	132.5	178.2	-64.9	-47.4	0	0	0	109.2	F524 W537 N538	H522-F524 HydrophobicContact CB-CE1 4.47Å; H522-F524 HydrophobicContact CB-CE2 3.73Å; H522-F524 HydrophobicContact CB-CZ 3.65Å; H522-F524 WeakPolarHBondContact O-CD2 3.09Å; H522-F524 WeakPolarHBondContact O-CE2 3.4Å; H522-W537 WeakPolarHBondContact O-CA 3.15Å; H522-W537 WeakPolarHBondContact O-CB 3.29Å; H522-N538 WeakPolarHBondContact CA-OD1 3.23Å; H522-N538 WeakPolarHBondContact CB-OD1 3.3Å; H522-N538 PolarHBondContact N-OD1 3.15Å; H522-N538 PolarHBondContact O-N 3.45Å; H522-N538 PolarHBondContact O-OD1 3.43Å
523	L	88.8	Confident	88	Confident	6 Å²	6	54 Å²	54	3%	0.031	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	128.9	179.9	-172.2	141.3	0	0	0	110.7	V535 I552 I589 I591 S604 K606	L523-V535 HydrophobicContact CD1-CB 4.31Å; L523-V535 HydrophobicContact CD1-CG2 4.11Å; L523-V535 HydrophobicContact CD2-CB 4.06Å; L523-V535 HydrophobicContact CD2-CG1 3.85Å; L523-V535 HydrophobicContact CG-CB 4.09Å; L523-V535 HydrophobicContact CG-CG1 4.41Å; L523-V535 HydrophobicContact CG-CG2 4.42Å; L523-I552 HydrophobicContact CD1-CD1 4.01Å; L523-I589 HydrophobicContact CD1-CG2 4.01Å; L523-I589 HydrophobicContact CD2-CG2 4.21Å; L523-I591 HydrophobicContact CB-CG2 4.28Å; L523-I591 HydrophobicContact CD1-CB 4.01Å; L523-I591 HydrophobicContact CD1-CG2 4.29Å; L523-S604 PolarHBondContact N-OG 2.76Å; L523-K606 HydrophobicContact CD2-CB 3.61Å
524	F	91.7	Very high	87.8	Confident	95 Å²	95	52.7 Å²	52.7	42%	0.417	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	138.8	-179	-54.9	-84.5	0	0	0	110.9	H522 V535 T536 N538	H522-F524 HydrophobicContact CB-CE1 4.47Å; H522-F524 HydrophobicContact CB-CE2 3.73Å; H522-F524 HydrophobicContact CB-CZ 3.65Å; H522-F524 WeakPolarHBondContact O-CD2 3.09Å; H522-F524 WeakPolarHBondContact O-CE2 3.4Å; F524-V535 CarbonylContact O-C 3.44Å; F524-V535 VanDerWaalsContact O-CA 3.29Å; F524-V535 WeakPolarHBondContact O-CA 3.43Å; F524-T536 HydrophobicContact CB-CG2 3.85Å; F524-T536 PolarHBondContact N-O 3.48Å; F524-T536 PolarHBondContact O-N 2.88Å; F524-T536 VanDerWaalsContact O-O 3.13Å; F524-N538 HydrophobicContact CE2-CB 4.29Å
525	P	92.3	Very high	87.7	Confident	59 Å²	59	52.7 Å²	52.7	38%	0.383	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	133.9	170.3	29.8	-32.7	0	0	0	110.9	V528 L608	P525-V528 HydrophobicContact CB-CG2 4.31Å; P525-L608 HydrophobicContact CB-CD1 3.85Å; P525-L608 HydrophobicContact CB-CD2 3.76Å; P525-L608 HydrophobicContact CG-CD2 3.79Å
526	V	91.5	Very high	87.5	Confident	85 Å²	85	52 Å²	52	52%	0.515	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	-49	170.6	177.5	0	0	0	0	110.5	T534 T536 T575	V526-T534 HydrophobicContact CB-CG2 4.14Å; V526-T534 PolarHBondContact N-O 2.98Å; V526-T536 VanDerWaalsContact CG2-CB 3.41Å; V526-T536 HydrophobicContact CG2-CG2 3.39Å; V526-T575 HydrophobicContact CG2-CG2 4.2Å
527	Q	89.9	Confident	87.5	Confident	121 Å²	121	52.3 Å²	52.3	57%	0.565	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.4	133.8	-177.6	-172.6	178.7	-17.4	0	0	109.4	T534	Q527-T534 PolarHBondContact N-O 3.36Å; Q527-T534 PolarHBondContact O-N 2.93Å
528	V	93.4	Very high	87.4	Confident	42 Å²	42	52 Å²	52	26%	0.255	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	120.5	175.4	179.4	0	0	0	0	107	P525 V533 K609 L611	P525-V528 HydrophobicContact CB-CG2 4.31Å; V528-V533 HydrophobicContact CG1-CG2 4.24Å; V528-V533 HydrophobicContact CG2-CG1 4.42Å; V528-K609 VanDerWaalsContact CG1-O 3.24Å; V528-K609 WeakPolarHBondContact CG1-O 3.47Å; V528-L611 HydrophobicContact CG1-CG 4.32Å; V528-L611 VanDerWaalsContact O-CD1 3.23Å; V528-L611 WeakPolarHBondContact O-CD1 3.5Å
529	S	92.9	Very high	87.2	Confident	28 Å²	28	46.7 Å²	46.7	20%	0.196	26%	0.259	C	S	.	.			trans	-110.8	-175.6	174.8	85.6	0	0	0	0	110.3	T531 S532 T610 L611	S529-T531 VanDerWaalsContact C-N 3.27Å; S529-T531 PolarHBondContact O-N 2.76Å; S529-T531 PolarHBondContact OG-N 3.36Å; S529-S532 PolarHBondContact N-O 3.37Å; S529-S532 PolarHBondContact OG-N 2.87Å; S529-S532 PolarHBondContact OG-O 2.73Å; S529-S532 PolarHBondContact OG-OG 3.02Å; S529-T610 WeakPolarHBondContact O-CB 3.21Å; S529-L611 PolarHBondContact O-N 3.31Å
530	A	91	Very high	86.6	Confident	17 Å²	17	45 Å²	45	14%	0.14	25%	0.252	C	S	.	.	S	Bend	trans	-67.4	-27.1	174.1	0	0	0	0	0	112.9	P583 L611 L613	A530-P583 HydrophobicContact CB-CB 4.44Å; A530-P583 WeakPolarHBondContact O-CA 3.37Å; A530-L611 WeakPolarHBondContact CA-O 3.27Å; A530-L613 HydrophobicContact CB-CD2 4.21Å; A530-L613 HydrophobicContact CB-CG 4.03Å
531	T	91.2	Very high	85.8	Confident	65 Å²	65	41.9 Å²	41.9	40%	0.399	24%	0.24	S	C	.	.	S	Bend	trans	-134.1	7.5	-173.3	61.7	0	0	0	0	114.2	S529 Q579 N580 L581 P583	S529-T531 VanDerWaalsContact C-N 3.27Å; S529-T531 PolarHBondContact O-N 2.76Å; S529-T531 PolarHBondContact OG-N 3.36Å; T531-Q579 CarbonylContact O-C 3.52Å; T531-N580 PolarHBondContact O-N 3.27Å; T531-L581 VanDerWaalsContact CA-O 3.28Å; T531-L581 WeakPolarHBondContact CA-O 3.27Å; T531-L581 WeakPolarHBondContact CB-O 3.13Å; T531-L581 PolarHBondContact O-N 2.99Å; T531-P583 HydrophobicContact CG2-CG 4.18Å
532	S	92.2	Very high	84.3	Confident	24 Å²	24	45.6 Å²	45.6	17%	0.168	27%	0.271	C	S	.	.			trans	-149.4	151.4	178.3	65.4	0	0	0	0	111.9	S529 I578	S529-S532 PolarHBondContact N-O 3.37Å; S529-S532 PolarHBondContact OG-N 2.87Å; S529-S532 PolarHBondContact OG-O 2.73Å; S529-S532 PolarHBondContact OG-OG 3.02Å; S532-I578 CarbonylContact C-O 3.5Å; S532-I578 WeakPolarHBondContact CA-O 3.46Å; S532-I578 VanDerWaalsContact CB-O 3.26Å; S532-I578 WeakPolarHBondContact CB-O 3.22Å
533	V	94.1	Very high	82.4	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	122.7	173.2	175.2	0	0	0	0	108.1	V528 V535 T577 I578 L581 I589 L608 T610	V528-V533 HydrophobicContact CG1-CG2 4.24Å; V528-V533 HydrophobicContact CG2-CG1 4.42Å; V533-V535 HydrophobicContact CG1-CG1 3.87Å; V533-T577 WeakPolarHBondContact O-CA 3.49Å; V533-I578 PolarHBondContact N-O 3.1Å; V533-I578 PolarHBondContact O-N 3.2Å; V533-L581 HydrophobicContact CB-CD1 4Å; V533-L581 HydrophobicContact CG2-CD1 3.67Å; V533-I589 HydrophobicContact CB-CD1 4.08Å; V533-I589 HydrophobicContact CG1-CD1 3.7Å; V533-I589 HydrophobicContact CG2-CD1 4.48Å; V533-L608 HydrophobicContact CG1-CD1 3.55Å; V533-T610 HydrophobicContact CG2-CG2 4.06Å
534	T	92.7	Very high	80.4	Confident	16 Å²	16	57 Å²	57	10%	0.098	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	125	171.4	-54.5	0	0	0	0	109	V526 Q527 Y576 T577	V526-T534 HydrophobicContact CB-CG2 4.14Å; V526-T534 PolarHBondContact N-O 2.98Å; Q527-T534 PolarHBondContact N-O 3.36Å; Q527-T534 PolarHBondContact O-N 2.93Å; T534-Y576 CarbonylContact C-O 3.52Å; T534-Y576 WeakPolarHBondContact CA-O 3.32Å; T534-T577 WeakPolarHBondContact CG2-OG1 3.32Å; T534-T577 WeakPolarHBondContact OG1-CG2 3.42Å; T534-T577 PolarHBondContact OG1-OG1 2.92Å
535	V	93.6	Very high	78	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	151.1	178.8	-58.9	0	0	0	0	110.1	L523 F524 V533 W537 I552 T575 Y576 I589 L608	L523-V535 HydrophobicContact CD1-CB 4.31Å; L523-V535 HydrophobicContact CD1-CG2 4.11Å; L523-V535 HydrophobicContact CD2-CB 4.06Å; L523-V535 HydrophobicContact CD2-CG1 3.85Å; L523-V535 HydrophobicContact CG-CB 4.09Å; L523-V535 HydrophobicContact CG-CG1 4.41Å; L523-V535 HydrophobicContact CG-CG2 4.42Å; F524-V535 CarbonylContact O-C 3.44Å; F524-V535 VanDerWaalsContact O-CA 3.29Å; F524-V535 WeakPolarHBondContact O-CA 3.43Å; V533-V535 HydrophobicContact CG1-CG1 3.87Å; V535-W537 HydrophobicContact CG2-CE3 4.47Å; V535-W537 HydrophobicContact CG2-CZ3 4.35Å; V535-I552 HydrophobicContact CG2-CD1 4.41Å; V535-T575 CarbonylContact O-C 3.48Å; V535-T575 WeakPolarHBondContact O-CA 3.27Å; V535-Y576 PolarHBondContact N-O 2.99Å; V535-Y576 PolarHBondContact O-N 3.33Å; V535-I589 HydrophobicContact CG1-CD1 4.49Å; V535-I589 HydrophobicContact CG1-CG2 4.22Å; V535-L608 HydrophobicContact CG1-CD1 4.04Å
536	T	91.3	Very high	75.8	Confident	38 Å²	38	54.6 Å²	54.6	23%	0.233	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	168.1	168.4	-169.7	0	0	0	0	108.3	F524 V526 R574	F524-T536 HydrophobicContact CB-CG2 3.85Å; F524-T536 PolarHBondContact N-O 3.48Å; F524-T536 PolarHBondContact O-N 2.88Å; F524-T536 VanDerWaalsContact O-O 3.13Å; V526-T536 VanDerWaalsContact CG2-CB 3.41Å; V526-T536 HydrophobicContact CG2-CG2 3.39Å; T536-R574 WeakPolarHBondContact CA-O 3.26Å; T536-R574 WeakPolarHBondContact CB-O 3.3Å; T536-R574 PolarHBondContact OG1-O 2.78Å
537	W	88.3	Confident	74.2	Confident	9 Å²	9	53 Å²	53	3%	0.034	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	154.2	179.1	52.4	86.2	0	0	0	109.6	H522 V535 T540 I552 V569 M573 T575 I591	H522-W537 WeakPolarHBondContact O-CA 3.15Å; H522-W537 WeakPolarHBondContact O-CB 3.29Å; V535-W537 HydrophobicContact CG2-CE3 4.47Å; V535-W537 HydrophobicContact CG2-CZ3 4.35Å; W537-T540 PolarHBondContact NE1-OG1 3.28Å; W537-I552 HydrophobicContact CE3-CD1 4.41Å; W537-I552 HydrophobicContact CZ3-CD1 4.44Å; W537-V569 HydrophobicContact CH2-CB 4.32Å; W537-V569 HydrophobicContact CH2-CG1 3.5Å; W537-V569 HydrophobicContact CH2-CG2 3.78Å; W537-V569 HydrophobicContact CZ2-CB 4.24Å; W537-V569 HydrophobicContact CZ2-CG1 3.03Å; W537-V569 HydrophobicContact CZ2-CG2 4.18Å; W537-V569 HydrophobicContact CZ3-CG1 4.48Å; W537-V569 HydrophobicContact CZ3-CG2 4.25Å; W537-M573 HydrophobicContact CH2-CB 4.46Å; W537-M573 HydrophobicContact CZ2-CB 4.22Å; W537-M573 WeakPolarHBondContact CZ2-O 3.3Å; W537-T575 VanDerWaalsContact CH2-C 3.43Å; W537-I591 HydrophobicContact CB-CD1 4.2Å; W537-I591 HydrophobicContact CD2-CD1 3.98Å; W537-I591 HydrophobicContact CE3-CD1 4.47Å; W537-I591 HydrophobicContact CG-CD1 3.77Å
538	N	81.1	Confident	73.1	Confident	58 Å²	58	49.7 Å²	49.7	31%	0.31	33%	0.33	S	S	.	.	S	Bend	trans	-90.6	167.4	168	64.7	-14.6	0	0	0	110.6	Q520 H522 F524	Q520-N538 PolarHBondContact O-OD1 2.92Å; Q520-N538 VanDerWaalsContact O-OD1 3.1Å; H522-N538 WeakPolarHBondContact CA-OD1 3.23Å; H522-N538 WeakPolarHBondContact CB-OD1 3.3Å; H522-N538 PolarHBondContact N-OD1 3.15Å; H522-N538 PolarHBondContact O-N 3.45Å; H522-N538 PolarHBondContact O-OD1 3.43Å; F524-N538 HydrophobicContact CE2-CB 4.29Å
539	G	67.5	Low	72.2	Confident	36 Å²	36	51.2 Å²	51.2	37%	0.371	34%	0.34	S	S	.	.			trans	89.3	2	169.5	0	0	0	0	0	117.1	D541	G539-D541 VanDerWaalsContact C-N 3.25Å; G539-D541 PolarHBondContact O-N 2.79Å
540	T	58.8	Low	71.9	Confident	12 Å²	12	50.2 Å²	50.2	7%	0.074	33%	0.332	C	S	.	.			trans	-80.7	2.6	171.3	39.7	0	0	0	0	114.6	W537 A542 F550	W537-T540 PolarHBondContact NE1-OG1 3.28Å; T540-A542 PolarHBondContact O-N 2.73Å; T540-A542 VanDerWaalsContact O-N 3.12Å; T540-F550 HydrophobicContact CG2-CD2 3.82Å; T540-F550 HydrophobicContact CG2-CE2 3.75Å
541	D	53.4	Low	71.8	Confident	81 Å²	81	50.2 Å²	50.2	43%	0.433	33%	0.329	S	S	.	.			trans	-60.9	121.8	-176.9	-71.9	-33.2	0	0	0	110.7	G539 Q543 N544 R574	G539-D541 VanDerWaalsContact C-N 3.25Å; G539-D541 PolarHBondContact O-N 2.79Å; D541-Q543 PolarHBondContact O-N 2.89Å; D541-N544 PolarHBondContact O-N 3.12Å; D541-R574 IonicContact OD1-CZ 3.86Å; D541-R574 IonicContact OD1-NH1 3.14Å; D541-R574 PolarHBondContact OD1-NH1 2.99Å; D541-R574 IonicContact OD1-NH2 3.72Å; D541-R574 PolarHBondContact OD1-NH2 3.38Å
542	A	49	Very low	71.9	Confident	83 Å²	83	47.1 Å²	47.1	69%	0.686	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-54.3	-15	-178	0	0	0	0	0	114.2	T540	T540-A542 PolarHBondContact O-N 2.73Å; T540-A542 VanDerWaalsContact O-N 3.12Å
543	Q	46.7	Very low	71.9	Confident	186 Å²	186	46.6 Å²	46.6	87%	0.869	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-72.4	-26	177.2	-63.3	-154.2	0	0	0	114	D541 G545	D541-Q543 PolarHBondContact O-N 2.89Å; Q543-G545 PolarHBondContact O-N 2.73Å
544	N	44.9	Very low	71.9	Confident	142 Å²	142	48.7 Å²	48.7	76%	0.759	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-87.1	21.4	179.3	-82.9	-13.7	0	0	0	114.4	D541	D541-N544 PolarHBondContact O-N 3.12Å
545	G	42.1	Very low	72	Confident	46 Å²	46	50.5 Å²	50.5	47%	0.474	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.4	89.5	172	0	0	0	0	0	112.6	Q543	Q543-G545 PolarHBondContact O-N 2.73Å
546	G	47.1	Very low	71.9	Confident	57 Å²	57	52.1 Å²	52.1	59%	0.588	33%	0.329	S	S	*	.	S	Bend	trans	55.3	110.3	144.8	0	0	0	0	0	117.9	T548	G546-T548 PolarHBondContact O-N 3.15Å; G546-T548 PolarHBondContact O-OG1 3.34Å
547	G	56.7	Low	72	Confident	52 Å²	52	51.3 Å²	51.3	54%	0.536	32%	0.324	S	S	.	.			trans	65.6	0.7	136.5	0	0	0	0	0	119.2	V549	G547-V549 PolarHBondContact O-N 3.22Å; G547-V549 VanDerWaalsContact O-N 3.09Å
548	T	66.3	Low	71.9	Confident	51 Å²	51	59.3 Å²	59.3	31%	0.313	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-64.7	117.3	-172.9	-55.4	0	0	0	0	109.1	G546 F550	G546-T548 PolarHBondContact O-N 3.15Å; G546-T548 PolarHBondContact O-OG1 3.34Å; T548-F550 HydrophobicContact CG2-CD1 4.36Å; T548-F550 HydrophobicContact CG2-CE1 3.74Å; T548-F550 HydrophobicContact CG2-CE2 4.4Å; T548-F550 HydrophobicContact CG2-CZ 3.77Å
549	V	76.1	Confident	72.1	Confident	74 Å²	74	61.7 Å²	61.7	45%	0.448	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-86.7	122.1	179.9	175.8	0	0	0	0	107.6	G547 T568	G547-V549 PolarHBondContact O-N 3.22Å; G547-V549 VanDerWaalsContact O-N 3.09Å; V549-T568 HydrophobicContact CG1-CG2 3.07Å
550	F	85.8	Confident	72.6	Confident	8 Å²	8	66 Å²	66	4%	0.035	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	166	175.6	-61.2	-68.1	0	0	0	110.3	M519 V521 T540 T548 V569 I591 A592 L603	M519-F550 HydrophobicContact CE-CZ 4.42Å; V521-F550 HydrophobicContact CG2-CZ 4.16Å; T540-F550 HydrophobicContact CG2-CD2 3.82Å; T540-F550 HydrophobicContact CG2-CE2 3.75Å; T548-F550 HydrophobicContact CG2-CD1 4.36Å; T548-F550 HydrophobicContact CG2-CE1 3.74Å; T548-F550 HydrophobicContact CG2-CE2 4.4Å; T548-F550 HydrophobicContact CG2-CZ 3.77Å; F550-V569 HydrophobicContact CB-CB 4.28Å; F550-V569 PolarHBondContact N-O 2.96Å; F550-V569 VanDerWaalsContact N-O 3.14Å; F550-V569 PolarHBondContact O-N 2.91Å; F550-I591 HydrophobicContact CB-CD1 3.84Å; F550-I591 HydrophobicContact CB-CG1 3.8Å; F550-I591 HydrophobicContact CD1-CG1 4.49Å; F550-I591 HydrophobicContact CD2-CD1 4.35Å; F550-I591 HydrophobicContact CG-CD1 4.04Å; F550-I591 HydrophobicContact CG-CG1 4.2Å; F550-A592 CarbonylContact C-O 3.49Å; F550-A592 WeakPolarHBondContact CA-O 3.17Å; F550-L603 HydrophobicContact CD1-CD1 3.57Å; F550-L603 HydrophobicContact CE1-CD1 3.34Å; F550-L603 HydrophobicContact CZ-CD1 4.4Å
551	Q	88.9	Confident	73.6	Confident	17 Å²	17	67.9 Å²	67.9	8%	0.079	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	140.8	175.9	-66.1	176.6	-18	0	0	109.2	F553 Y565 G567 I591 A592 E594	Q551-F553 HydrophobicContact CB-CD2 4.09Å; Q551-F553 HydrophobicContact CB-CE2 3.48Å; Q551-F553 VanDerWaalsContact CB-CE2 3.48Å; Q551-F553 HydrophobicContact CB-CZ 4.24Å; Q551-F553 HydrophobicContact CG-CE2 4.47Å; Q551-F553 VanDerWaalsContact OE1-CE2 3.24Å; Q551-F553 VanDerWaalsContact OE1-CZ 3.22Å; Q551-Y565 HydrophobicContact CB-CE2 4.21Å; Q551-Y565 HydrophobicContact CG-CE2 4Å; Q551-G567 WeakPolarHBondContact CA-O 3.46Å; Q551-I591 WeakPolarHBondContact O-CA 3.26Å; Q551-A592 PolarHBondContact N-O 3.37Å; Q551-A592 PolarHBondContact O-N 3.41Å; Q551-E594 PolarHBondContact NE2-OE2 3.1Å
552	I	92.7	Very high	74.9	Confident	0 Å²	0	72 Å²	72	0%	0	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	129.9	173	-59.4	-63.1	0	0	0	108	L523 V535 W537 A566 G567 V569 Y576 I578 I589 C590 I591	L523-I552 HydrophobicContact CD1-CD1 4.01Å; V535-I552 HydrophobicContact CG2-CD1 4.41Å; W537-I552 HydrophobicContact CE3-CD1 4.41Å; W537-I552 HydrophobicContact CZ3-CD1 4.44Å; I552-A566 HydrophobicContact CB-CB 4.2Å; I552-A566 HydrophobicContact CG2-CB 4.01Å; I552-A566 WeakPolarHBondContact O-CA 3.1Å; I552-A566 VanDerWaalsContact O-CB 3.26Å; I552-A566 WeakPolarHBondContact O-CB 3.47Å; I552-A566 PolarHBondContact O-N 2.93Å; I552-G567 PolarHBondContact N-O 2.84Å; I552-G567 PolarHBondContact O-N 2.93Å; I552-V569 HydrophobicContact CD1-CG2 4.21Å; I552-V569 HydrophobicContact CG1-CG2 3.61Å; I552-Y576 HydrophobicContact CB-CD1 4.1Å; I552-Y576 HydrophobicContact CB-CE1 4.42Å; I552-Y576 HydrophobicContact CB-CG 4.46Å; I552-Y576 HydrophobicContact CG1-CD1 4.06Å; I552-Y576 HydrophobicContact CG1-CG 3.96Å; I552-Y576 HydrophobicContact CG2-CD1 4.13Å; I552-Y576 HydrophobicContact CG2-CE1 4.5Å; I552-I578 HydrophobicContact CG2-CD1 3.9Å; I552-I578 HydrophobicContact CG2-CG1 4.31Å; I552-I589 HydrophobicContact CG2-CG2 3.98Å; I552-C590 WeakPolarHBondContact CA-O 3.23Å; I552-I591 HydrophobicContact CD1-CB 3.86Å; I552-I591 HydrophobicContact CD1-CD1 4.18Å; I552-I591 HydrophobicContact CD1-CG1 3.98Å
553	F	93.3	Very high	76.7	Confident	12 Å²	12	69.3 Å²	69.3	5%	0.053	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	151.9	174.3	-69.7	-95.2	0	0	0	109.8	Q551 H563 Q564 Y565 I589 C590 A592 V600	Q551-F553 HydrophobicContact CB-CD2 4.09Å; Q551-F553 HydrophobicContact CB-CE2 3.48Å; Q551-F553 VanDerWaalsContact CB-CE2 3.48Å; Q551-F553 HydrophobicContact CB-CZ 4.24Å; Q551-F553 HydrophobicContact CG-CE2 4.47Å; Q551-F553 VanDerWaalsContact OE1-CE2 3.24Å; Q551-F553 VanDerWaalsContact OE1-CZ 3.22Å; F553-H563 HydrophobicContact CB-CB 3.6Å; F553-H563 HydrophobicContact CD1-CB 4.31Å; F553-H563 HydrophobicContact CG-CB 4.34Å; F553-Q564 CarbonylContact C-O 3.51Å; F553-Q564 WeakPolarHBondContact CA-O 3.43Å; F553-Y565 HydrophobicContact CE1-CD2 4.11Å; F553-Y565 HydrophobicContact CE1-CG 4.5Å; F553-Y565 HydrophobicContact CZ-CD2 4.03Å; F553-I589 CarbonylContact O-C 3.51Å; F553-I589 WeakPolarHBondContact O-CA 3.21Å; F553-C590 PolarHBondContact N-O 2.62Å; F553-C590 PolarHBondContact O-N 3.46Å; F553-A592 HydrophobicContact CD2-CB 3.81Å; F553-A592 HydrophobicContact CE2-CB 3.95Å; F553-V600 HydrophobicContact CD2-CG1 3.92Å; F553-V600 HydrophobicContact CE1-CG1 4.5Å; F553-V600 HydrophobicContact CE1-CG2 4.11Å; F553-V600 HydrophobicContact CE2-CG1 3.5Å; F553-V600 HydrophobicContact CE2-CG2 4.16Å; F553-V600 HydrophobicContact CZ-CB 4.43Å; F553-V600 HydrophobicContact CZ-CG1 3.85Å; F553-V600 HydrophobicContact CZ-CG2 3.64Å
554	Y	94.2	Very high	78.7	Confident	44 Å²	44	65.4 Å²	65.4	17%	0.173	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	154.8	176.7	74.5	-66.5	0	0	0	111.9	Q564 A566 I578 L581 Y587 D588	Y554-Q564 HydrophobicContact CD1-CB 4.32Å; Y554-Q564 HydrophobicContact CE1-CB 4.05Å; Y554-Q564 PolarHBondContact N-O 3.06Å; Y554-Q564 WeakPolarHBondContact O-CB 3.39Å; Y554-Q564 PolarHBondContact O-N 3.28Å; Y554-Q564 PolarHBondContact OH-OE1 3.35Å; Y554-A566 HydrophobicContact CD1-CB 3.82Å; Y554-A566 HydrophobicContact CE1-CB 4.1Å; Y554-I578 HydrophobicContact CD1-CD1 4.48Å; Y554-I578 HydrophobicContact CD1-CG2 4.16Å; Y554-I578 HydrophobicContact CD2-CG2 4.11Å; Y554-I578 HydrophobicContact CE1-CG2 4.16Å; Y554-I578 HydrophobicContact CE2-CG2 4.12Å; Y554-I578 HydrophobicContact CG-CD1 4.19Å; Y554-I578 HydrophobicContact CG-CG2 4.14Å; Y554-L581 HydrophobicContact CD2-CD2 3.82Å; Y554-L581 HydrophobicContact CE2-CD2 3.51Å; Y554-Y587 AromaticContact CD2-CD1 3.83Å; Y554-Y587 HydrophobicContact CD2-CD1 3.83Å; Y554-Y587 HydrophobicContact CD2-CE1 4.24Å; Y554-Y587 HydrophobicContact CE2-CD1 4.37Å; Y554-Y587 HydrophobicContact CE2-CE1 4.33Å; Y554-D588 CarbonylContact C-O 3.45Å; Y554-D588 VanDerWaalsContact CA-O 3.24Å; Y554-D588 WeakPolarHBondContact CA-O 3.27Å
555	R	93.3	Very high	80.9	Confident	54 Å²	54	64.4 Å²	64.4	20%	0.204	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	151.9	169.7	68.2	-175.1	176.4	127.6	5.4	110.5	S557 L559 H563 Y587 D588	R555-S557 PolarHBondContact O-N 3.08Å; R555-L559 PolarHBondContact NH1-O 3.14Å; R555-H563 VanDerWaalsContact CD-CD2 3.41Å; R555-H563 WeakPolarHBondContact CD-CD2 3.35Å; R555-H563 WeakPolarHBondContact CD-NE2 3.13Å; R555-H563 VanDerWaalsContact CG-CD2 3.43Å; R555-H563 WeakPolarHBondContact CG-CD2 3.34Å; R555-H563 PolarHBondContact NE-NE2 3.46Å; R555-Y587 CarbonylContact O-C 3.56Å; R555-Y587 WeakPolarHBondContact O-CA 3.46Å; R555-D588 HydrophobicContact CG-CB 4.08Å; R555-D588 IonicContact CZ-OD2 3.5Å; R555-D588 PolarHBondContact N-O 2.92Å; R555-D588 IonicContact NE-OD2 3.57Å; R555-D588 IonicContact NH2-OD2 2.87Å; R555-D588 PolarHBondContact NH2-OD2 3.03Å; R555-D588 PolarHBondContact O-N 2.82Å
556	P	92.6	Very high	83.2	Confident	35 Å²	35	63.3 Å²	63.3	23%	0.227	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	127.9	164.9	-24	34.8	0	0	0	109.9	E558 L559 A586 Y587	P556-E558 PolarHBondContact O-N 2.89Å; P556-E558 VanDerWaalsContact O-N 3.11Å; P556-L559 HydrophobicContact CB-CB 4.45Å; P556-L559 HydrophobicContact CB-CD1 3.94Å; P556-L559 HydrophobicContact CB-CG 4.11Å; P556-L559 HydrophobicContact CG-CD1 3.73Å; P556-L559 HydrophobicContact CG-CG 4.45Å; P556-L559 PolarHBondContact O-N 2.86Å; P556-A586 WeakPolarHBondContact CA-O 3.49Å; P556-Y587 HydrophobicContact CB-CD1 4.49Å; P556-Y587 HydrophobicContact CB-CE1 4.34Å; P556-Y587 HydrophobicContact CG-CD1 4.21Å; P556-Y587 HydrophobicContact CG-CE1 3.8Å
557	S	92.2	Very high	85.1	Confident	20 Å²	20	60.9 Å²	60.9	14%	0.14	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-20	-175	-61.9	0	0	0	0	113.4	R555 A586 Y587 D588 R607	R555-S557 PolarHBondContact O-N 3.08Å; S557-A586 PolarHBondContact N-O 3.27Å; S557-Y587 WeakPolarHBondContact OG-CA 3.45Å; S557-Y587 PolarHBondContact OG-N 3.25Å; S557-D588 WeakPolarHBondContact CB-OD1 3.24Å; S557-D588 PolarHBondContact OG-N 3.17Å; S557-D588 VanDerWaalsContact OG-N 3.15Å; S557-D588 PolarHBondContact OG-OD1 2.83Å; S557-R607 PolarHBondContact OG-NE 3.38Å
558	E	87.8	Confident	86.6	Confident	178 Å²	178	60.9 Å²	60.9	83%	0.832	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-15.2	178.3	-63	178	-174.7	0	0	112.9	P556	P556-E558 PolarHBondContact O-N 2.89Å; P556-E558 VanDerWaalsContact O-N 3.11Å
559	L	85	Confident	87.5	Confident	108 Å²	108	58.4 Å²	58.4	57%	0.565	31%	0.307	S	S	*	.			trans	-95	124.1	179.9	-68	175.1	0	0	0	111.5	R555 P556 G561	R555-L559 PolarHBondContact NH1-O 3.14Å; P556-L559 HydrophobicContact CB-CB 4.45Å; P556-L559 HydrophobicContact CB-CD1 3.94Å; P556-L559 HydrophobicContact CB-CG 4.11Å; P556-L559 HydrophobicContact CG-CD1 3.73Å; P556-L559 HydrophobicContact CG-CG 4.45Å; P556-L559 PolarHBondContact O-N 2.86Å; L559-G561 PolarHBondContact O-N 3.33Å
560	S	78.4	Confident	87.7	Confident	126 Å²	126	57.1 Å²	57.1	88%	0.881	30%	0.3	S	S	*	.			trans	-80.2	111	166.1	-64.4	0	0	0	0	109.6
561	G	78.9	Confident	87.2	Confident	51 Å²	51	58.8 Å²	58.8	53%	0.526	31%	0.311	S	S	.	.	S	Bend	trans	173.6	177.1	-177.9	0	0	0	0	0	114	L559	L559-G561 PolarHBondContact O-N 3.33Å
562	R	81.9	Confident	86.6	Confident	167 Å²	167	65.3 Å²	65.3	63%	0.63	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-63.1	138.5	177	-168.2	178.1	-176.3	-169.1	-0.6	109.7	D598	R562-D598 IonicContact CZ-OD1 3.65Å; R562-D598 IonicContact NH1-OD1 3.48Å; R562-D598 PolarHBondContact NH1-OD1 3Å; R562-D598 PolarHBondContact NH2-O 3.17Å; R562-D598 IonicContact NH2-OD1 2.81Å; R562-D598 PolarHBondContact NH2-OD1 2.94Å
563	H	86	Confident	86.1	Confident	27 Å²	27	68.8 Å²	68.8	13%	0.125	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-66.2	140.5	173.7	-60.1	89.3	0	0	0	110.6	F553 R555 C590 H602	F553-H563 HydrophobicContact CB-CB 3.6Å; F553-H563 HydrophobicContact CD1-CB 4.31Å; F553-H563 HydrophobicContact CG-CB 4.34Å; R555-H563 VanDerWaalsContact CD-CD2 3.41Å; R555-H563 WeakPolarHBondContact CD-CD2 3.35Å; R555-H563 WeakPolarHBondContact CD-NE2 3.13Å; R555-H563 VanDerWaalsContact CG-CD2 3.43Å; R555-H563 WeakPolarHBondContact CG-CD2 3.34Å; R555-H563 PolarHBondContact NE-NE2 3.46Å; H563-C590 PolarHBondContact NE2-SG 2.82Å; H563-C590 VanDerWaalsContact NE2-SG 3.45Å; H563-H602 AromaticContact CE1-NE2 3.79Å; H563-H602 AromaticContact CG-CE1 3.91Å; H563-H602 AromaticContact ND1-CE1 3.36Å; H563-H602 PolarHBondContact ND1-CE1 3.36Å; H563-H602 AromaticContact ND1-NE2 3.16Å; H563-H602 PolarHBondContact ND1-NE2 3.02Å; H563-H602 VanDerWaalsContact ND1-NE2 3.16Å
564	Q	88.8	Confident	85.6	Confident	104 Å²	104	75.3 Å²	75.3	49%	0.486	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	138.8	176.3	-61.9	-179.9	4.2	0	0	110.1	F553 Y554 A566	F553-Q564 CarbonylContact C-O 3.51Å; F553-Q564 WeakPolarHBondContact CA-O 3.43Å; Y554-Q564 HydrophobicContact CD1-CB 4.32Å; Y554-Q564 HydrophobicContact CE1-CB 4.05Å; Y554-Q564 PolarHBondContact N-O 3.06Å; Y554-Q564 WeakPolarHBondContact O-CB 3.39Å; Y554-Q564 PolarHBondContact O-N 3.28Å; Y554-Q564 PolarHBondContact OH-OE1 3.35Å; Q564-A566 PolarHBondContact O-N 3.29Å
565	Y	90	Very high	85.4	Confident	121 Å²	121	76.6 Å²	76.6	48%	0.475	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	124.6	173.6	175.2	-97	0	0	0	110.1	Q551 F553 G567 T568	Q551-Y565 HydrophobicContact CB-CE2 4.21Å; Q551-Y565 HydrophobicContact CG-CE2 4Å; F553-Y565 HydrophobicContact CE1-CD2 4.11Å; F553-Y565 HydrophobicContact CE1-CG 4.5Å; F553-Y565 HydrophobicContact CZ-CD2 4.03Å; Y565-G567 VanDerWaalsContact CZ-C 3.48Å; Y565-G567 VanDerWaalsContact OH-C 3.3Å; Y565-G567 WeakPolarHBondContact OH-CA 3.42Å; Y565-T568 WeakPolarHBondContact OH-CB 3.29Å; Y565-T568 PolarHBondContact OH-N 3.45Å; Y565-T568 PolarHBondContact OH-OG1 2.82Å
566	A	90.8	Very high	85.3	Confident	23 Å²	23	76.5 Å²	76.5	19%	0.19	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-51.2	171.6	0	0	0	0	0	110.6	I552 Y554 Q564 Y576 I578	I552-A566 HydrophobicContact CB-CB 4.2Å; I552-A566 HydrophobicContact CG2-CB 4.01Å; I552-A566 WeakPolarHBondContact O-CA 3.1Å; I552-A566 VanDerWaalsContact O-CB 3.26Å; I552-A566 WeakPolarHBondContact O-CB 3.47Å; I552-A566 PolarHBondContact O-N 2.93Å; Y554-A566 HydrophobicContact CD1-CB 3.82Å; Y554-A566 HydrophobicContact CE1-CB 4.1Å; Q564-A566 PolarHBondContact O-N 3.29Å; A566-Y576 HydrophobicContact CB-CE1 3.79Å; A566-Y576 PolarHBondContact O-OH 3.42Å; A566-I578 HydrophobicContact CB-CD1 4.49Å; A566-I578 HydrophobicContact CB-CG1 4.17Å
567	G	88.1	Confident	85.4	Confident	6 Å²	6	77.4 Å²	77.4	6%	0.062	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.7	166.7	-175.9	0	0	0	0	0	114.2	Q551 I552 Y565 Y576	Q551-G567 WeakPolarHBondContact CA-O 3.46Å; I552-G567 PolarHBondContact N-O 2.84Å; I552-G567 PolarHBondContact O-N 2.93Å; Y565-G567 VanDerWaalsContact CZ-C 3.48Å; Y565-G567 VanDerWaalsContact OH-C 3.3Å; Y565-G567 WeakPolarHBondContact OH-CA 3.42Å; G567-Y576 WeakPolarHBondContact CA-OH 3.44Å; G567-Y576 PolarHBondContact N-OH 3.34Å
568	T	88	Confident	85.4	Confident	52 Å²	52	76.7 Å²	76.7	32%	0.319	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	136.7	177.5	-64.9	0	0	0	0	110.9	V549 Y565	V549-T568 HydrophobicContact CG1-CG2 3.07Å; Y565-T568 WeakPolarHBondContact OH-CB 3.29Å; Y565-T568 PolarHBondContact OH-N 3.45Å; Y565-T568 PolarHBondContact OH-OG1 2.82Å
569	V	85.4	Confident	85.6	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	114.1	179.9	171.7	0	0	0	0	108.9	W537 F550 I552 M573 Y576	W537-V569 HydrophobicContact CH2-CB 4.32Å; W537-V569 HydrophobicContact CH2-CG1 3.5Å; W537-V569 HydrophobicContact CH2-CG2 3.78Å; W537-V569 HydrophobicContact CZ2-CB 4.24Å; W537-V569 HydrophobicContact CZ2-CG1 3.03Å; W537-V569 HydrophobicContact CZ2-CG2 4.18Å; W537-V569 HydrophobicContact CZ3-CG1 4.48Å; W537-V569 HydrophobicContact CZ3-CG2 4.25Å; F550-V569 HydrophobicContact CB-CB 4.28Å; F550-V569 PolarHBondContact N-O 2.96Å; F550-V569 VanDerWaalsContact N-O 3.14Å; F550-V569 PolarHBondContact O-N 2.91Å; I552-V569 HydrophobicContact CD1-CG2 4.21Å; I552-V569 HydrophobicContact CG1-CG2 3.61Å; V569-M573 HydrophobicContact CG1-CB 4.07Å; V569-Y576 HydrophobicContact CG2-CD2 4.12Å; V569-Y576 HydrophobicContact CG2-CG 4.44Å
570	T	80.5	Confident	85.9	Confident	47 Å²	47	76 Å²	76	29%	0.288	40%	0.397	S	S	.	.			trans	-79.9	158	175.1	66	0	0	0	0	110.7	I572 M573	T570-I572 PolarHBondContact O-N 3.31Å; T570-I572 WeakPolarHBondContact OG1-CG1 3.45Å; T570-M573 HydrophobicContact CG2-CE 4.16Å; T570-M573 WeakPolarHBondContact O-CB 3.29Å; T570-M573 PolarHBondContact O-N 3.2Å; T570-M573 WeakPolarHBondContact OG1-CG 3.1Å
571	P	75	Confident	86.5	Confident	43 Å²	43	70.2 Å²	70.2	28%	0.279	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-22.4	-178.8	-25.2	32.4	0	0	0	115
572	I	76	Confident	87.1	Confident	153 Å²	153	73.7 Å²	73.7	79%	0.785	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-16.4	178.1	58.4	168	0	0	0	113.1	T570	T570-I572 PolarHBondContact O-N 3.31Å; T570-I572 WeakPolarHBondContact OG1-CG1 3.45Å
573	M	81.6	Confident	87.7	Confident	74 Å²	74	67.4 Å²	67.4	37%	0.365	34%	0.339	S	S	.	.			trans	-76.4	141.8	178.1	-68.4	175.6	-176.2	0	0	110.3	W537 V569 T570	W537-M573 HydrophobicContact CH2-CB 4.46Å; W537-M573 HydrophobicContact CZ2-CB 4.22Å; W537-M573 WeakPolarHBondContact CZ2-O 3.3Å; V569-M573 HydrophobicContact CG1-CB 4.07Å; T570-M573 HydrophobicContact CG2-CE 4.16Å; T570-M573 WeakPolarHBondContact O-CB 3.29Å; T570-M573 PolarHBondContact O-N 3.2Å; T570-M573 WeakPolarHBondContact OG1-CG 3.1Å
574	R	83.4	Confident	88	Confident	148 Å²	148	70.1 Å²	70.1	56%	0.558	36%	0.355	S	S	*	.			trans	-116.5	-19.4	177.9	-65.5	-88.8	-178.9	-177.6	-9.9	112.4	T536 D541	T536-R574 WeakPolarHBondContact CA-O 3.26Å; T536-R574 WeakPolarHBondContact CB-O 3.3Å; T536-R574 PolarHBondContact OG1-O 2.78Å; D541-R574 IonicContact OD1-CZ 3.86Å; D541-R574 IonicContact OD1-NH1 3.14Å; D541-R574 PolarHBondContact OD1-NH1 2.99Å; D541-R574 IonicContact OD1-NH2 3.72Å; D541-R574 PolarHBondContact OD1-NH2 3.38Å
575	T	89.8	Confident	88.2	Confident	71 Å²	71	66.9 Å²	66.9	44%	0.436	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	153.6	-179.5	60.3	0	0	0	0	110.3	V526 V535 W537	V526-T575 HydrophobicContact CG2-CG2 4.2Å; V535-T575 CarbonylContact O-C 3.48Å; V535-T575 WeakPolarHBondContact O-CA 3.27Å; W537-T575 VanDerWaalsContact CH2-C 3.43Å
576	Y	92.2	Very high	88.5	Confident	53 Å²	53	62.3 Å²	62.3	21%	0.208	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	136.2	174.4	-171.8	-86.3	0	0	0	109.1	T534 V535 I552 A566 G567 V569 I578	T534-Y576 CarbonylContact C-O 3.52Å; T534-Y576 WeakPolarHBondContact CA-O 3.32Å; V535-Y576 PolarHBondContact N-O 2.99Å; V535-Y576 PolarHBondContact O-N 3.33Å; I552-Y576 HydrophobicContact CB-CD1 4.1Å; I552-Y576 HydrophobicContact CB-CE1 4.42Å; I552-Y576 HydrophobicContact CB-CG 4.46Å; I552-Y576 HydrophobicContact CG1-CD1 4.06Å; I552-Y576 HydrophobicContact CG1-CG 3.96Å; I552-Y576 HydrophobicContact CG2-CD1 4.13Å; I552-Y576 HydrophobicContact CG2-CE1 4.5Å; A566-Y576 HydrophobicContact CB-CE1 3.79Å; A566-Y576 PolarHBondContact O-OH 3.42Å; G567-Y576 WeakPolarHBondContact CA-OH 3.44Å; G567-Y576 PolarHBondContact N-OH 3.34Å; V569-Y576 HydrophobicContact CG2-CD2 4.12Å; V569-Y576 HydrophobicContact CG2-CG 4.44Å; Y576-I578 HydrophobicContact CD1-CG1 4.01Å; Y576-I578 HydrophobicContact CE1-CG1 3.95Å
577	T	93	Very high	88.7	Confident	53 Å²	53	62.1 Å²	62.1	33%	0.325	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	117	-179	-57.8	0	0	0	0	110.7	V533 T534 Q579	V533-T577 WeakPolarHBondContact O-CA 3.49Å; T534-T577 WeakPolarHBondContact CG2-OG1 3.32Å; T534-T577 WeakPolarHBondContact OG1-CG2 3.42Å; T534-T577 PolarHBondContact OG1-OG1 2.92Å; T577-Q579 HydrophobicContact CG2-CG 4.03Å
578	I	93.7	Very high	89	Confident	5 Å²	5	62.5 Å²	62.5	3%	0.026	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	122.7	171	-51.6	171	0	0	0	107.3	S532 V533 I552 Y554 A566 Y576 L581 I589	S532-I578 CarbonylContact C-O 3.5Å; S532-I578 WeakPolarHBondContact CA-O 3.46Å; S532-I578 VanDerWaalsContact CB-O 3.26Å; S532-I578 WeakPolarHBondContact CB-O 3.22Å; V533-I578 PolarHBondContact N-O 3.1Å; V533-I578 PolarHBondContact O-N 3.2Å; I552-I578 HydrophobicContact CG2-CD1 3.9Å; I552-I578 HydrophobicContact CG2-CG1 4.31Å; Y554-I578 HydrophobicContact CD1-CD1 4.48Å; Y554-I578 HydrophobicContact CD1-CG2 4.16Å; Y554-I578 HydrophobicContact CD2-CG2 4.11Å; Y554-I578 HydrophobicContact CE1-CG2 4.16Å; Y554-I578 HydrophobicContact CE2-CG2 4.12Å; Y554-I578 HydrophobicContact CG-CD1 4.19Å; Y554-I578 HydrophobicContact CG-CG2 4.14Å; A566-I578 HydrophobicContact CB-CD1 4.49Å; A566-I578 HydrophobicContact CB-CG1 4.17Å; Y576-I578 HydrophobicContact CD1-CG1 4.01Å; Y576-I578 HydrophobicContact CE1-CG1 3.95Å; I578-L581 HydrophobicContact CB-CD1 4.37Å; I578-L581 HydrophobicContact CG2-CD1 4.16Å; I578-L581 HydrophobicContact CG2-CD2 3.8Å; I578-L581 HydrophobicContact CG2-CG 4.12Å; I578-I589 HydrophobicContact CD1-CB 4.41Å; I578-I589 HydrophobicContact CD1-CD1 3.81Å; I578-I589 HydrophobicContact CD1-CG1 3.78Å; I578-I589 HydrophobicContact CD1-CG2 3.7Å
579	Q	91.7	Very high	89.4	Confident	127 Å²	127	60 Å²	60	59%	0.593	31%	0.311	S	S	*	.			trans	-108.5	175.9	-177.5	-62.7	-176.6	-17.5	0	0	111.1	T531 T577 L581	T531-Q579 CarbonylContact O-C 3.52Å; T577-Q579 HydrophobicContact CG2-CG 4.03Å; Q579-L581 PolarHBondContact O-N 3Å
580	N	91	Very high	89.8	Confident	145 Å²	145	60 Å²	60	78%	0.775	31%	0.311	S	S	*	.	S	Bend	trans	59.1	29.2	175.5	-54.4	-35.7	0	0	0	114.4	T531	T531-N580 PolarHBondContact O-N 3.27Å
581	L	91.6	Very high	90.2	Very high	4 Å²	4	57.8 Å²	57.8	2%	0.021	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-79	152.2	174.4	-58.9	177.9	0	0	0	110.6	T531 V533 Y554 I578 Q579 Y587 T610	T531-L581 VanDerWaalsContact CA-O 3.28Å; T531-L581 WeakPolarHBondContact CA-O 3.27Å; T531-L581 WeakPolarHBondContact CB-O 3.13Å; T531-L581 PolarHBondContact O-N 2.99Å; V533-L581 HydrophobicContact CB-CD1 4Å; V533-L581 HydrophobicContact CG2-CD1 3.67Å; Y554-L581 HydrophobicContact CD2-CD2 3.82Å; Y554-L581 HydrophobicContact CE2-CD2 3.51Å; I578-L581 HydrophobicContact CB-CD1 4.37Å; I578-L581 HydrophobicContact CG2-CD1 4.16Å; I578-L581 HydrophobicContact CG2-CD2 3.8Å; I578-L581 HydrophobicContact CG2-CG 4.12Å; Q579-L581 PolarHBondContact O-N 3Å; L581-Y587 HydrophobicContact CB-CE2 4Å; L581-Y587 HydrophobicContact CD1-CD2 4.4Å; L581-Y587 HydrophobicContact CD2-CD1 4.09Å; L581-Y587 HydrophobicContact CD2-CD2 4.43Å; L581-Y587 HydrophobicContact CD2-CE1 3.77Å; L581-Y587 HydrophobicContact CD2-CE2 4.14Å; L581-Y587 HydrophobicContact CD2-CG 4.42Å; L581-Y587 HydrophobicContact CG-CE2 4.45Å; L581-T610 HydrophobicContact CB-CG2 3.91Å; L581-T610 HydrophobicContact CD1-CG2 4.02Å
582	Q	91.6	Very high	90.8	Very high	125 Å²	125	55.7 Å²	55.7	58%	0.584	28%	0.284	S	S	*	.	P	Polyproline II helix	trans	-73.4	139.8	173.3	-64.6	-58.4	-37.7	0	0	111.2	S585 Y587 T610	Q582-S585 WeakPolarHBondContact CB-OG 3.48Å; Q582-S585 WeakPolarHBondContact O-CB 3.36Å; Q582-Y587 PolarHBondContact N-OH 3.37Å; Q582-Y587 VanDerWaalsContact N-OH 3.11Å; Q582-T610 PolarHBondContact O-OG1 2.7Å
583	P	92.7	Very high	91.1	Very high	35 Å²	35	49.9 Å²	49.9	23%	0.227	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	154.4	171.3	-21.5	31.8	0	0	0	113.1	A530 T531 S585 L613	A530-P583 HydrophobicContact CB-CB 4.44Å; A530-P583 WeakPolarHBondContact O-CA 3.37Å; T531-P583 HydrophobicContact CG2-CG 4.18Å; P583-S585 PolarHBondContact O-N 3.5Å; P583-S585 PolarHBondContact O-OG 3.21Å; P583-L613 HydrophobicContact CB-CD1 4.19Å; P583-L613 HydrophobicContact CB-CG 4.26Å; P583-L613 HydrophobicContact CG-CD1 3.49Å; P583-L613 VanDerWaalsContact CG-CD1 3.49Å; P583-L613 HydrophobicContact CG-CG 3.88Å
584	N	92.4	Very high	90.5	Very high	83 Å²	83	51.1 Å²	51.1	44%	0.444	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	25.8	177.9	-161.6	20.2	0	0	0	115.3	K609 T610 L611 N612	N584-K609 WeakPolarHBondContact O-CE 3.44Å; N584-K609 WeakPolarHBondContact OD1-CE 3.18Å; N584-K609 PolarHBondContact OD1-NZ 2.91Å; N584-T610 WeakPolarHBondContact CA-O 3.29Å; N584-T610 PolarHBondContact N-O 2.76Å; N584-T610 PolarHBondContact N-OG1 2.65Å; N584-T610 VanDerWaalsContact N-OG1 3.14Å; N584-L611 PolarHBondContact N-O 2.79Å; N584-N612 WeakPolarHBondContact CB-OD1 3.33Å; N584-N612 PolarHBondContact OD1-OD1 3.04Å
585	S	94.2	Very high	89.4	Confident	37 Å²	37	46.1 Å²	46.1	26%	0.259	24%	0.243	S	C	.	.			trans	-117	139.3	-170.3	-61.2	0	0	0	0	110.8	Q582 P583 Y587 K609 T610	Q582-S585 WeakPolarHBondContact CB-OG 3.48Å; Q582-S585 WeakPolarHBondContact O-CB 3.36Å; P583-S585 PolarHBondContact O-N 3.5Å; P583-S585 PolarHBondContact O-OG 3.21Å; S585-Y587 WeakPolarHBondContact O-CD2 3.38Å; S585-K609 WeakPolarHBondContact O-CA 3.48Å; S585-T610 PolarHBondContact N-OG1 3.41Å; S585-T610 PolarHBondContact O-N 2.95Å; S585-T610 PolarHBondContact O-OG1 2.98Å
586	A	95.5	Very high	87.8	Confident	25 Å²	25	45.2 Å²	45.2	21%	0.207	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	135.7	179.4	0	0	0	0	0	111.5	P556 S557 L608	P556-A586 WeakPolarHBondContact CA-O 3.49Å; S557-A586 PolarHBondContact N-O 3.27Å; A586-L608 CarbonylContact C-O 3.57Å; A586-L608 WeakPolarHBondContact CA-O 3.11Å
587	Y	95.5	Very high	86.2	Confident	18 Å²	18	49.7 Å²	49.7	7%	0.071	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	135.4	178.2	-65.9	-93.7	0	0	0	110.9	Y554 R555 P556 S557 L581 Q582 S585 R607 L608 T610	Y554-Y587 AromaticContact CD2-CD1 3.83Å; Y554-Y587 HydrophobicContact CD2-CD1 3.83Å; Y554-Y587 HydrophobicContact CD2-CE1 4.24Å; Y554-Y587 HydrophobicContact CE2-CD1 4.37Å; Y554-Y587 HydrophobicContact CE2-CE1 4.33Å; R555-Y587 CarbonylContact O-C 3.56Å; R555-Y587 WeakPolarHBondContact O-CA 3.46Å; P556-Y587 HydrophobicContact CB-CD1 4.49Å; P556-Y587 HydrophobicContact CB-CE1 4.34Å; P556-Y587 HydrophobicContact CG-CD1 4.21Å; P556-Y587 HydrophobicContact CG-CE1 3.8Å; S557-Y587 WeakPolarHBondContact OG-CA 3.45Å; S557-Y587 PolarHBondContact OG-N 3.25Å; L581-Y587 HydrophobicContact CB-CE2 4Å; L581-Y587 HydrophobicContact CD1-CD2 4.4Å; L581-Y587 HydrophobicContact CD2-CD1 4.09Å; L581-Y587 HydrophobicContact CD2-CD2 4.43Å; L581-Y587 HydrophobicContact CD2-CE1 3.77Å; L581-Y587 HydrophobicContact CD2-CE2 4.14Å; L581-Y587 HydrophobicContact CD2-CG 4.42Å; L581-Y587 HydrophobicContact CG-CE2 4.45Å; Q582-Y587 PolarHBondContact N-OH 3.37Å; Q582-Y587 VanDerWaalsContact N-OH 3.11Å; S585-Y587 WeakPolarHBondContact O-CD2 3.38Å; Y587-R607 CarbonylContact O-C 3.23Å; Y587-R607 WeakPolarHBondContact O-CA 3.25Å; Y587-L608 PolarHBondContact N-O 2.76Å; Y587-L608 PolarHBondContact O-N 3.19Å; Y587-T610 HydrophobicContact CD2-CG2 4.33Å; Y587-T610 HydrophobicContact CE2-CG2 4.23Å
588	D	95.3	Very high	84.6	Confident	14 Å²	14	52.2 Å²	52.2	8%	0.075	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	114.7	165.4	-65.1	-15.3	0	0	0	107.3	Y554 R555 S557 R607	Y554-D588 CarbonylContact C-O 3.45Å; Y554-D588 VanDerWaalsContact CA-O 3.24Å; Y554-D588 WeakPolarHBondContact CA-O 3.27Å; R555-D588 HydrophobicContact CG-CB 4.08Å; R555-D588 IonicContact CZ-OD2 3.5Å; R555-D588 PolarHBondContact N-O 2.92Å; R555-D588 IonicContact NE-OD2 3.57Å; R555-D588 IonicContact NH2-OD2 2.87Å; R555-D588 PolarHBondContact NH2-OD2 3.03Å; R555-D588 PolarHBondContact O-N 2.82Å; S557-D588 WeakPolarHBondContact CB-OD1 3.24Å; S557-D588 PolarHBondContact OG-N 3.17Å; S557-D588 VanDerWaalsContact OG-N 3.15Å; S557-D588 PolarHBondContact OG-OD1 2.83Å; D588-R607 IonicContact OD1-CZ 3.6Å; D588-R607 IonicContact OD1-NE 2.86Å; D588-R607 PolarHBondContact OD1-NE 2.72Å; D588-R607 IonicContact OD1-NH2 3.43Å; D588-R607 PolarHBondContact OD1-NH2 2.73Å; D588-R607 IonicContact OD2-NH2 3.57Å
589	I	95.4	Very high	83.3	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	123.5	-178.8	-64.3	161.9	0	0	0	108.5	L523 V533 V535 I552 F553 I578 C605 K606 L608	L523-I589 HydrophobicContact CD1-CG2 4.01Å; L523-I589 HydrophobicContact CD2-CG2 4.21Å; V533-I589 HydrophobicContact CB-CD1 4.08Å; V533-I589 HydrophobicContact CG1-CD1 3.7Å; V533-I589 HydrophobicContact CG2-CD1 4.48Å; V535-I589 HydrophobicContact CG1-CD1 4.49Å; V535-I589 HydrophobicContact CG1-CG2 4.22Å; I552-I589 HydrophobicContact CG2-CG2 3.98Å; F553-I589 CarbonylContact O-C 3.51Å; F553-I589 WeakPolarHBondContact O-CA 3.21Å; I578-I589 HydrophobicContact CD1-CB 4.41Å; I578-I589 HydrophobicContact CD1-CD1 3.81Å; I578-I589 HydrophobicContact CD1-CG1 3.78Å; I578-I589 HydrophobicContact CD1-CG2 3.7Å; I589-C605 CarbonylContact O-C 3.17Å; I589-C605 WeakPolarHBondContact O-CA 3.15Å; I589-K606 PolarHBondContact N-O 3.4Å; I589-K606 PolarHBondContact O-N 3.16Å; I589-L608 HydrophobicContact CD1-CB 4.34Å; I589-L608 HydrophobicContact CD1-CD1 3.93Å
590	C	93.1	Very high	82.6	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	142	-176.6	-57.9	0	0	0	0	111.6	I552 F553 H563 S604 C605	I552-C590 WeakPolarHBondContact CA-O 3.23Å; F553-C590 PolarHBondContact N-O 2.62Å; F553-C590 PolarHBondContact O-N 3.46Å; H563-C590 PolarHBondContact NE2-SG 2.82Å; H563-C590 VanDerWaalsContact NE2-SG 3.45Å; C590-S604 CarbonylContact C-O 3.49Å; C590-S604 WeakPolarHBondContact CA-O 3.15Å; C590-C605 HydrophobicContact CB-CB 4.1Å; C590-C605 WeakPolarHBondContact CB-SG 3.31Å; C590-C605 WeakPolarHBondContact SG-CB 3.45Å; C590-C605 CovalentContact SG-SG 2.04Å; C590-C605 PolarHBondContact SG-SG 3.07Å
591	I	90.2	Very high	81.9	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	132.4	159.2	-172.3	163.6	0	0	0	108.4	V521 L523 W537 F550 Q551 I552 L603 S604	V521-I591 HydrophobicContact CG1-CD1 3.82Å; V521-I591 HydrophobicContact CG1-CG1 4.36Å; V521-I591 HydrophobicContact CG1-CG2 3.73Å; L523-I591 HydrophobicContact CB-CG2 4.28Å; L523-I591 HydrophobicContact CD1-CB 4.01Å; L523-I591 HydrophobicContact CD1-CG2 4.29Å; W537-I591 HydrophobicContact CB-CD1 4.2Å; W537-I591 HydrophobicContact CD2-CD1 3.98Å; W537-I591 HydrophobicContact CE3-CD1 4.47Å; W537-I591 HydrophobicContact CG-CD1 3.77Å; F550-I591 HydrophobicContact CB-CD1 3.84Å; F550-I591 HydrophobicContact CB-CG1 3.8Å; F550-I591 HydrophobicContact CD1-CG1 4.49Å; F550-I591 HydrophobicContact CD2-CD1 4.35Å; F550-I591 HydrophobicContact CG-CD1 4.04Å; F550-I591 HydrophobicContact CG-CG1 4.2Å; Q551-I591 WeakPolarHBondContact O-CA 3.26Å; I552-I591 HydrophobicContact CD1-CB 3.86Å; I552-I591 HydrophobicContact CD1-CD1 4.18Å; I552-I591 HydrophobicContact CD1-CG1 3.98Å; I591-L603 HydrophobicContact CG2-CB 4.44Å; I591-L603 PolarHBondContact O-N 3.23Å; I591-S604 PolarHBondContact N-O 2.88Å; I591-S604 PolarHBondContact O-N 3.22Å
592	A	87.7	Confident	81.5	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	166.7	-174.4	0	0	0	0	0	111.1	F550 Q551 F553 V600 V601	F550-A592 CarbonylContact C-O 3.49Å; F550-A592 WeakPolarHBondContact CA-O 3.17Å; Q551-A592 PolarHBondContact N-O 3.37Å; Q551-A592 PolarHBondContact O-N 3.41Å; F553-A592 HydrophobicContact CD2-CB 3.81Å; F553-A592 HydrophobicContact CE2-CB 3.95Å; A592-V600 HydrophobicContact CB-CG1 3.29Å; A592-V601 WeakPolarHBondContact CA-O 3.35Å; A592-V601 VanDerWaalsContact CB-O 3.26Å; A592-V601 WeakPolarHBondContact CB-O 3.49Å
593	M	80.8	Confident	81.1	Confident	30 Å²	30	42.7 Å²	42.7	15%	0.148	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	138.8	165.8	58.5	-167.7	-61.7	0	0	108.9	V601 L603	M593-V601 HydrophobicContact CG-CB 3.78Å; M593-V601 HydrophobicContact CG-CG1 4.44Å; M593-V601 HydrophobicContact CG-CG2 4.49Å; M593-V601 PolarHBondContact N-O 2.99Å; M593-V601 PolarHBondContact O-N 3.2Å; M593-L603 HydrophobicContact SD-CD2 4.22Å
594	E	70.3	Confident	80.9	Confident	100 Å²	100	42 Å²	42	47%	0.467	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	123.7	167.4	-175.4	170.9	-154.5	0	0	107.2	Q551	Q551-E594 PolarHBondContact NE2-OE2 3.1Å
595	D	60.3	Low	80.9	Confident	43 Å²	43	41.3 Å²	41.3	23%	0.23	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	141.6	163.5	-165.4	4.9	0	0	0	106.8	H488 D597 V599	H488-D595 WeakPolarHBondContact CD2-CB 3.42Å; H488-D595 IonicContact CD2-OD2 3.95Å; H488-D595 PolarHBondContact CD2-OD2 3.17Å; H488-D595 IonicContact CG-OD2 3.62Å; H488-D595 WeakPolarHBondContact NE2-CB 3.18Å; H488-D595 IonicContact NE2-OD2 2.77Å; H488-D595 PolarHBondContact NE2-OD2 2.81Å; D595-D597 PolarHBondContact O-N 3.32Å; D595-V599 PolarHBondContact N-O 3.11Å
596	G	55.6	Low	80.8	Confident	52 Å²	52	44.4 Å²	44.4	54%	0.536	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	129.7	-176	0	0	0	0	0	109.9
597	D	57.8	Low	80.8	Confident	147 Å²	147	50.8 Å²	50.8	79%	0.786	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	108.3	28.4	-172.3	-56.5	-25.9	0	0	0	115.8	D595 V599	D595-D597 PolarHBondContact O-N 3.32Å; D597-V599 PolarHBondContact O-N 2.93Å
598	D	59.5	Low	80.7	Confident	106 Å²	106	50.8 Å²	50.8	57%	0.567	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.4	6.4	171.9	-110.6	-53.3	0	0	0	114.2	R562	R562-D598 IonicContact CZ-OD1 3.65Å; R562-D598 IonicContact NH1-OD1 3.48Å; R562-D598 PolarHBondContact NH1-OD1 3Å; R562-D598 PolarHBondContact NH2-O 3.17Å; R562-D598 IonicContact NH2-OD1 2.81Å; R562-D598 PolarHBondContact NH2-OD1 2.94Å
599	V	67.6	Low	80.7	Confident	49 Å²	49	56 Å²	56	30%	0.297	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	117.8	179.6	-177.4	0	0	0	0	109.5	H488 D595 D597	H488-V599 HydrophobicContact CB-CG1 4.24Å; D595-V599 PolarHBondContact N-O 3.11Å; D597-V599 PolarHBondContact O-N 2.93Å
600	V	75.6	Confident	80.6	Confident	28 Å²	28	56.1 Å²	56.1	17%	0.17	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	112.9	-178.1	-179.8	0	0	0	0	109.2	F553 A592 H602	F553-V600 HydrophobicContact CD2-CG1 3.92Å; F553-V600 HydrophobicContact CE1-CG1 4.5Å; F553-V600 HydrophobicContact CE1-CG2 4.11Å; F553-V600 HydrophobicContact CE2-CG1 3.5Å; F553-V600 HydrophobicContact CE2-CG2 4.16Å; F553-V600 HydrophobicContact CZ-CB 4.43Å; F553-V600 HydrophobicContact CZ-CG1 3.85Å; F553-V600 HydrophobicContact CZ-CG2 3.64Å; A592-V600 HydrophobicContact CB-CG1 3.29Å; V600-H602 PolarHBondContact O-N 2.91Å
601	V	77.4	Confident	80.6	Confident	10 Å²	10	60.8 Å²	60.8	6%	0.061	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	102	173.8	-178.5	0	0	0	0	108.6	H488 T490 A592 M593 L603	H488-V601 HydrophobicContact CB-CG2 4.18Å; T490-V601 HydrophobicContact CG2-CG1 4.31Å; A592-V601 WeakPolarHBondContact CA-O 3.35Å; A592-V601 VanDerWaalsContact CB-O 3.26Å; A592-V601 WeakPolarHBondContact CB-O 3.49Å; M593-V601 HydrophobicContact CG-CB 3.78Å; M593-V601 HydrophobicContact CG-CG1 4.44Å; M593-V601 HydrophobicContact CG-CG2 4.49Å; M593-V601 PolarHBondContact N-O 2.99Å; M593-V601 PolarHBondContact O-N 3.2Å; V601-L603 HydrophobicContact CG1-CD2 4.35Å; V601-L603 PolarHBondContact O-N 3.29Å
602	H	83.7	Confident	80.5	Confident	80 Å²	80	65.5 Å²	65.5	37%	0.37	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	117.5	176.5	-67.1	-60.5	0	0	0	110.7	H563 V600	H563-H602 AromaticContact CE1-NE2 3.79Å; H563-H602 AromaticContact CG-CE1 3.91Å; H563-H602 AromaticContact ND1-CE1 3.36Å; H563-H602 PolarHBondContact ND1-CE1 3.36Å; H563-H602 AromaticContact ND1-NE2 3.16Å; H563-H602 PolarHBondContact ND1-NE2 3.02Å; H563-H602 VanDerWaalsContact ND1-NE2 3.16Å; V600-H602 PolarHBondContact O-N 2.91Å
603	L	83.3	Confident	80.2	Confident	40 Å²	40	71.2 Å²	71.2	21%	0.209	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	-44.3	-178.6	-58.8	173.6	0	0	0	111.4	P439 M519 F550 I591 M593 V601	P439-L603 HydrophobicContact CB-CD2 4.26Å; M519-L603 HydrophobicContact SD-CD1 4.23Å; M519-L603 HydrophobicContact SD-CD2 4.01Å; F550-L603 HydrophobicContact CD1-CD1 3.57Å; F550-L603 HydrophobicContact CE1-CD1 3.34Å; F550-L603 HydrophobicContact CZ-CD1 4.4Å; I591-L603 HydrophobicContact CG2-CB 4.44Å; I591-L603 PolarHBondContact O-N 3.23Å; M593-L603 HydrophobicContact SD-CD2 4.22Å; V601-L603 HydrophobicContact CG1-CD2 4.35Å; V601-L603 PolarHBondContact O-N 3.29Å
604	S	88.3	Confident	79.9	Confident	21 Å²	21	75 Å²	75	15%	0.147	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	134.1	177.5	178.3	0	0	0	0	110.8	V521 L523 C590 I591	V521-S604 WeakPolarHBondContact O-CB 3.34Å; L523-S604 PolarHBondContact N-OG 2.76Å; C590-S604 CarbonylContact C-O 3.49Å; C590-S604 WeakPolarHBondContact CA-O 3.15Å; I591-S604 PolarHBondContact N-O 2.88Å; I591-S604 PolarHBondContact O-N 3.22Å
605	C	91.2	Very high	79.6	Confident	67 Å²	67	74.7 Å²	74.7	45%	0.453	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	138.6	177.4	-63.1	0	0	0	0	110.8	I589 C590	I589-C605 CarbonylContact O-C 3.17Å; I589-C605 WeakPolarHBondContact O-CA 3.15Å; C590-C605 HydrophobicContact CB-CB 4.1Å; C590-C605 WeakPolarHBondContact CB-SG 3.31Å; C590-C605 WeakPolarHBondContact SG-CB 3.45Å; C590-C605 CovalentContact SG-SG 2.04Å; C590-C605 PolarHBondContact SG-SG 3.07Å
606	K	93.5	Very high	79.5	Confident	103 Å²	103	76.6 Å²	76.6	45%	0.448	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	130.6	175.6	-162.8	71.5	178.7	-176.9	0	110.8	L523 I589 L608	L523-K606 HydrophobicContact CD2-CB 3.61Å; I589-K606 PolarHBondContact N-O 3.4Å; I589-K606 PolarHBondContact O-N 3.16Å; K606-L608 HydrophobicContact CG-CD2 3.98Å; K606-L608 HydrophobicContact CG-CG 4.17Å
607	R	94.4	Very high	79.5	Confident	159 Å²	159	77.1 Å²	77.1	60%	0.6	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	122.9	170.3	-177.4	169.9	-65.5	177.8	-3	110.3	S557 Y587 D588	S557-R607 PolarHBondContact OG-NE 3.38Å; Y587-R607 CarbonylContact O-C 3.23Å; Y587-R607 WeakPolarHBondContact O-CA 3.25Å; D588-R607 IonicContact OD1-CZ 3.6Å; D588-R607 IonicContact OD1-NE 2.86Å; D588-R607 PolarHBondContact OD1-NE 2.72Å; D588-R607 IonicContact OD1-NH2 3.43Å; D588-R607 PolarHBondContact OD1-NH2 2.73Å; D588-R607 IonicContact OD2-NH2 3.57Å
608	L	94.6	Very high	79.3	Confident	18 Å²	18	73 Å²	73	9%	0.094	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	140.6	-179	-62.4	175.9	0	0	0	110	P525 V533 V535 A586 Y587 I589 K606	P525-L608 HydrophobicContact CB-CD1 3.85Å; P525-L608 HydrophobicContact CB-CD2 3.76Å; P525-L608 HydrophobicContact CG-CD2 3.79Å; V533-L608 HydrophobicContact CG1-CD1 3.55Å; V535-L608 HydrophobicContact CG1-CD1 4.04Å; A586-L608 CarbonylContact C-O 3.57Å; A586-L608 WeakPolarHBondContact CA-O 3.11Å; Y587-L608 PolarHBondContact N-O 2.76Å; Y587-L608 PolarHBondContact O-N 3.19Å; I589-L608 HydrophobicContact CD1-CB 4.34Å; I589-L608 HydrophobicContact CD1-CD1 3.93Å; K606-L608 HydrophobicContact CG-CD2 3.98Å; K606-L608 HydrophobicContact CG-CG 4.17Å
609	K	94.6	Very high	79.1	Confident	122 Å²	122	74 Å²	74	53%	0.53	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	125.2	179.6	-171.7	176.5	179.1	-176.1	0	110.2	V528 N584 S585	V528-K609 VanDerWaalsContact CG1-O 3.24Å; V528-K609 WeakPolarHBondContact CG1-O 3.47Å; N584-K609 WeakPolarHBondContact O-CE 3.44Å; N584-K609 WeakPolarHBondContact OD1-CE 3.18Å; N584-K609 PolarHBondContact OD1-NZ 2.91Å; S585-K609 WeakPolarHBondContact O-CA 3.48Å
610	T	93	Very high	78.3	Confident	4 Å²	4	77.7 Å²	77.7	3%	0.025	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-66	152.9	176	53.9	0	0	0	0	111.3	S529 V533 L581 Q582 N584 S585 Y587	S529-T610 WeakPolarHBondContact O-CB 3.21Å; V533-T610 HydrophobicContact CG2-CG2 4.06Å; L581-T610 HydrophobicContact CB-CG2 3.91Å; L581-T610 HydrophobicContact CD1-CG2 4.02Å; Q582-T610 PolarHBondContact O-OG1 2.7Å; N584-T610 WeakPolarHBondContact CA-O 3.29Å; N584-T610 PolarHBondContact N-O 2.76Å; N584-T610 PolarHBondContact N-OG1 2.65Å; N584-T610 VanDerWaalsContact N-OG1 3.14Å; S585-T610 PolarHBondContact N-OG1 3.41Å; S585-T610 PolarHBondContact O-N 2.95Å; S585-T610 PolarHBondContact O-OG1 2.98Å; Y587-T610 HydrophobicContact CD2-CG2 4.33Å; Y587-T610 HydrophobicContact CE2-CG2 4.23Å
611	L	92.3	Very high	77.3	Confident	97 Å²	97	85.8 Å²	85.8	51%	0.508	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-73.5	166.1	-179.8	-61.1	-179.7	0	0	0	111.8	V528 S529 A530 N584	V528-L611 HydrophobicContact CG1-CG 4.32Å; V528-L611 VanDerWaalsContact O-CD1 3.23Å; V528-L611 WeakPolarHBondContact O-CD1 3.5Å; S529-L611 PolarHBondContact O-N 3.31Å; A530-L611 WeakPolarHBondContact CA-O 3.27Å; N584-L611 PolarHBondContact N-O 2.79Å
612	N	88.3	Confident	76.2	Confident	100 Å²	100	91.2 Å²	91.2	54%	0.535	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-71.1	149.6	166.1	-71.2	-25.9	0	0	0	110.1	N584 D614	N584-N612 WeakPolarHBondContact CB-OD1 3.33Å; N584-N612 PolarHBondContact OD1-OD1 3.04Å; N612-D614 PolarHBondContact O-N 2.8Å
613	L	82	Confident	74.6	Confident	119 Å²	119	94 Å²	94	62%	0.623	48%	0.475	S	S	*	.			trans	-68.7	112.3	166.6	-86	156.3	0	0	0	108.7	A530 P583 P615	A530-L613 HydrophobicContact CB-CD2 4.21Å; A530-L613 HydrophobicContact CB-CG 4.03Å; P583-L613 HydrophobicContact CB-CD1 4.19Å; P583-L613 HydrophobicContact CB-CG 4.26Å; P583-L613 HydrophobicContact CG-CD1 3.49Å; P583-L613 VanDerWaalsContact CG-CD1 3.49Å; P583-L613 HydrophobicContact CG-CG 3.88Å; L613-P615 VanDerWaalsContact O-CD 3.28Å; L613-P615 WeakPolarHBondContact O-CD 3.34Å
614	D	74.3	Confident	73	Confident	111 Å²	111	97.2 Å²	97.2	59%	0.594	49%	0.491	S	S	*	.			trans	-67.8	116.7	173.8	-91.7	-25.7	0	0	0	110.5	N612 T616 S617	N612-D614 PolarHBondContact O-N 2.8Å; D614-T616 PolarHBondContact O-N 2.95Å; D614-S617 PolarHBondContact O-N 3.48Å; D614-S617 PolarHBondContact O-OG 3.18Å
615	P	64.4	Low	71.3	Confident	93 Å²	93	102.3 Å²	102.3	60%	0.604	52%	0.516	S	S	*	.	H	α-helix	trans	-67	-22.9	-177.7	25	-31.9	0	0	0	113	L613 S617 A618 Q619	L613-P615 VanDerWaalsContact O-CD 3.28Å; L613-P615 WeakPolarHBondContact O-CD 3.34Å; P615-S617 VanDerWaalsContact C-N 3.33Å; P615-S617 PolarHBondContact O-N 3.29Å; P615-A618 PolarHBondContact O-N 3.42Å; P615-Q619 PolarHBondContact O-N 2.93Å
616	T	58.3	Low	69.2	Low	82 Å²	82	109.1 Å²	109.1	50%	0.503	53%	0.533	S	S	.	.	H	α-helix	trans	-67.4	-31	179.9	52	0	0	0	0	112.7	D614 A618 Q619 Q620	D614-T616 PolarHBondContact O-N 2.95Å; T616-A618 VanDerWaalsContact C-N 3.33Å; T616-A618 PolarHBondContact O-N 3.33Å; T616-Q619 PolarHBondContact O-N 2.82Å; T616-Q620 PolarHBondContact O-N 3.39Å
617	S	54.9	Low	67.2	Low	64 Å²	64	107.8 Å²	107.8	45%	0.448	54%	0.536	S	S	.	.	H	α-helix	trans	-68.4	-31.3	176.1	69.6	0	0	0	0	112.7	D614 P615 R621	D614-S617 PolarHBondContact O-N 3.48Å; D614-S617 PolarHBondContact O-OG 3.18Å; P615-S617 VanDerWaalsContact C-N 3.33Å; P615-S617 PolarHBondContact O-N 3.29Å; S617-R621 PolarHBondContact O-N 3.11Å; S617-R621 VanDerWaalsContact O-N 3.16Å
618	A	54.5	Low	64.6	Low	59 Å²	59	109.6 Å²	109.6	49%	0.488	54%	0.543	S	S	.	.	H	α-helix	trans	-71.3	-39.4	172.5	0	0	0	0	0	111.3	P615 T616 R621 Q622	P615-A618 PolarHBondContact O-N 3.42Å; T616-A618 VanDerWaalsContact C-N 3.33Å; T616-A618 PolarHBondContact O-N 3.33Å; A618-R621 PolarHBondContact O-N 3Å; A618-Q622 PolarHBondContact O-N 3.09Å; A618-Q622 VanDerWaalsContact O-N 3.11Å
619	Q	54.2	Low	62.4	Low	128 Å²	128	113.2 Å²	113.2	60%	0.598	58%	0.576	S	S	*	*	H	α-helix	trans	-68	-39.2	175.6	-73.9	-179	-26.2	0	0	112.7	P615 T616 R621 Q622 Q623	P615-Q619 PolarHBondContact O-N 2.93Å; T616-Q619 PolarHBondContact O-N 2.82Å; Q619-R621 VanDerWaalsContact C-N 3.34Å; Q619-R621 PolarHBondContact O-N 2.84Å; Q619-Q622 WeakPolarHBondContact O-CB 3.41Å; Q619-Q622 PolarHBondContact O-N 3.21Å; Q619-Q622 VanDerWaalsContact O-N 3.11Å; Q619-Q623 PolarHBondContact O-N 3.42Å
620	Q	52.5	Low	60.4	Low	126 Å²	126	112 Å²	112	59%	0.589	58%	0.582	S	S	*	*	H	α-helix	trans	-64	-37.2	173.4	-97.2	176.6	-24	0	0	112.3	T616 Q622 Q623 L624	T616-Q620 PolarHBondContact O-N 3.39Å; Q620-Q622 VanDerWaalsContact C-N 3.3Å; Q620-Q622 PolarHBondContact O-N 3.02Å; Q620-Q623 PolarHBondContact O-N 3.24Å; Q620-L624 WeakPolarHBondContact O-CB 3.44Å; Q620-L624 PolarHBondContact O-N 2.61Å
621	R	52.8	Low	58.3	Low	198 Å²	198	113.8 Å²	113.8	75%	0.747	60%	0.602	S	S	*	*	H	α-helix	trans	-62.6	-36.6	170.8	-89.9	179.9	168.8	173.9	-2.5	112.2	S617 A618 Q619 L625	S617-R621 PolarHBondContact O-N 3.11Å; S617-R621 VanDerWaalsContact O-N 3.16Å; A618-R621 PolarHBondContact O-N 3Å; Q619-R621 VanDerWaalsContact C-N 3.34Å; Q619-R621 PolarHBondContact O-N 2.84Å; R621-L625 WeakPolarHBondContact O-CD1 3.46Å; R621-L625 WeakPolarHBondContact O-CG 3.48Å; R621-L625 PolarHBondContact O-N 2.66Å
622	Q	55.4	Low	56.3	Low	124 Å²	124	114.7 Å²	114.7	58%	0.579	61%	0.612	S	S	*	*	H	α-helix	trans	-72.4	-34.6	176	-113.8	167.6	-18.3	0	0	113.2	A618 Q619 Q620 R626	A618-Q622 PolarHBondContact O-N 3.09Å; A618-Q622 VanDerWaalsContact O-N 3.11Å; Q619-Q622 WeakPolarHBondContact O-CB 3.41Å; Q619-Q622 PolarHBondContact O-N 3.21Å; Q619-Q622 VanDerWaalsContact O-N 3.11Å; Q620-Q622 VanDerWaalsContact C-N 3.3Å; Q620-Q622 PolarHBondContact O-N 3.02Å; Q622-R626 PolarHBondContact O-N 2.87Å
623	Q	49.7	Very low	54.6	Low	139 Å²	139	114.5 Å²	114.5	65%	0.65	61%	0.614	S	S	*	*	H	α-helix	trans	-72	-38.9	174.7	-89.8	178.1	-29.2	0	0	112.9	Q619 Q620 L625 R626 S627	Q619-Q623 PolarHBondContact O-N 3.42Å; Q620-Q623 PolarHBondContact O-N 3.24Å; Q623-L625 PolarHBondContact O-N 3.46Å; Q623-R626 PolarHBondContact O-N 3.05Å; Q623-R626 VanDerWaalsContact O-N 3.09Å; Q623-S627 PolarHBondContact O-N 3.49Å
624	L	50.3	Low	53.5	Low	107 Å²	107	113.2 Å²	113.2	56%	0.56	61%	0.611	S	S	*	*	H	α-helix	trans	-64.5	-25.2	175.5	-107.8	137.8	0	0	0	113.3	Q620	Q620-L624 WeakPolarHBondContact O-CB 3.44Å; Q620-L624 PolarHBondContact O-N 2.61Å
625	L	52.6	Low	52.9	Low	128 Å²	128	110.1 Å²	110.1	67%	0.67	61%	0.606	S	S	*	*	H	α-helix	trans	-78.8	-24.2	174.2	-72.8	166	0	0	0	112.8	R621 Q623	R621-L625 WeakPolarHBondContact O-CD1 3.46Å; R621-L625 WeakPolarHBondContact O-CG 3.48Å; R621-L625 PolarHBondContact O-N 2.66Å; Q623-L625 PolarHBondContact O-N 3.46Å
626	R	46.3	Very low	53	Low	210 Å²	210	108.3 Å²	108.3	79%	0.792	60%	0.599	S	S	*	*	H	α-helix	trans	-88	-25.1	178.4	-72.9	-176.1	176.9	164.6	0.1	113.9	Q622 Q623	Q622-R626 PolarHBondContact O-N 2.87Å; Q623-R626 PolarHBondContact O-N 3.05Å; Q623-R626 VanDerWaalsContact O-N 3.09Å
627	S	51.5	Low	53.7	Low	75 Å²	75	109.4 Å²	109.4	52%	0.524	60%	0.6	S	S	.	*	G	3₁₀ helix	trans	-84.4	-4.2	178.9	62	0	0	0	0	114.8	Q623 A629	Q623-S627 PolarHBondContact O-N 3.49Å; S627-A629 VanDerWaalsContact C-N 3.27Å; S627-A629 PolarHBondContact O-N 3.02Å
628	R	40.8	Very low	54.5	Low	198 Å²	198	111.9 Å²	111.9	75%	0.747	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-78.6	-0.8	178.2	-89.2	-178.3	172.1	171	-1.4	115.3	S630	R628-S630 VanDerWaalsContact C-N 3.3Å; R628-S630 PolarHBondContact O-N 3.36Å
629	A	48.7	Very low	55.6	Low	94 Å²	94	110.7 Å²	110.7	78%	0.777	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-77.6	-6.3	176.9	0	0	0	0	0	114.8	S627	S627-A629 VanDerWaalsContact C-N 3.27Å; S627-A629 PolarHBondContact O-N 3.02Å
630	S	50.6	Low	56.8	Low	95 Å²	95	110 Å²	110	66%	0.664	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-121.2	20.5	180	62.8	0	0	0	0	114.5	R628	R628-S630 VanDerWaalsContact C-N 3.3Å; R628-S630 PolarHBondContact O-N 3.36Å
631	G	50.2	Low	58.3	Low	43 Å²	43	107.6 Å²	107.6	44%	0.443	59%	0.594	S	S	.	*			trans	-92.5	-3.6	179.3	0	0	0	0	0	115.7	T633 G635	G631-T633 VanDerWaalsContact C-N 3.32Å; G631-T633 PolarHBondContact O-N 2.76Å; G631-G635 PolarHBondContact O-N 3.38Å
632	T	49.5	Very low	59.6	Low	116 Å²	116	100.3 Å²	100.3	71%	0.712	58%	0.576	S	S	*	*	H	α-helix	trans	-67.9	-28.9	-175.7	46.6	0	0	0	0	113.1	A636	T632-A636 PolarHBondContact O-N 3.32Å
633	T	52	Low	60.9	Low	95 Å²	95	98.2 Å²	98.2	58%	0.583	57%	0.574	S	S	*	*	H	α-helix	trans	-75.6	-36.5	-179.2	-17.2	0	0	0	0	112.9	G631 I637	G631-T633 VanDerWaalsContact C-N 3.32Å; G631-T633 PolarHBondContact O-N 2.76Å; T633-I637 WeakPolarHBondContact O-CG1 3.45Å; T633-I637 PolarHBondContact O-N 3.24Å
634	V	60.6	Low	62.6	Low	92 Å²	92	95.3 Å²	95.3	56%	0.558	57%	0.566	S	S	*	*	H	α-helix	trans	-73.3	-38.3	-179.8	-177.1	0	0	0	0	111	I637 L638	V634-I637 PolarHBondContact O-N 3.25Å; V634-L638 HydrophobicContact CG1-CD1 3.95Å; V634-L638 HydrophobicContact CG1-CG 4.49Å; V634-L638 WeakPolarHBondContact O-CB 3.33Å; V634-L638 WeakPolarHBondContact O-CG 3.35Å; V634-L638 PolarHBondContact O-N 3.28Å
635	G	61	Low	64.3	Low	47 Å²	47	95.3 Å²	95.3	49%	0.485	57%	0.566	S	S	.	*	H	α-helix	trans	-64.2	-38.9	175.6	0	0	0	0	0	113.2	G631 G639	G631-G635 PolarHBondContact O-N 3.38Å; G635-G639 PolarHBondContact O-N 3.25Å
636	A	66	Low	65.9	Low	55 Å²	55	94 Å²	94	46%	0.455	56%	0.559	S	S	.	*	H	α-helix	trans	-66.2	-42.9	176.6	0	0	0	0	0	112.1	T632 G639 I640	T632-A636 PolarHBondContact O-N 3.32Å; A636-G639 PolarHBondContact O-N 3.45Å; A636-I640 VanDerWaalsContact O-CG1 3.28Å; A636-I640 WeakPolarHBondContact O-CG1 3.45Å; A636-I640 PolarHBondContact O-N 3.07Å
637	I	72.7	Confident	67.8	Low	105 Å²	105	87.9 Å²	87.9	54%	0.538	55%	0.545	S	S	.	.	H	α-helix	trans	-66.5	-44.7	178.6	-64.5	166.9	0	0	0	110.8	T633 V634 G639 I640 V641	T633-I637 WeakPolarHBondContact O-CG1 3.45Å; T633-I637 PolarHBondContact O-N 3.24Å; V634-I637 PolarHBondContact O-N 3.25Å; I637-G639 VanDerWaalsContact C-N 3.31Å; I637-G639 PolarHBondContact O-N 2.97Å; I637-I640 PolarHBondContact O-N 3.24Å; I637-V641 VanDerWaalsContact O-CG2 3.32Å; I637-V641 WeakPolarHBondContact O-CG2 3.47Å; I637-V641 PolarHBondContact O-N 3.3Å
638	L	73.2	Confident	69.5	Low	115 Å²	115	88.9 Å²	88.9	60%	0.602	54%	0.543	S	S	*	.	H	α-helix	trans	-63.4	-37.2	176.3	-75.2	169	0	0	0	112.2	V634 A642	V634-L638 HydrophobicContact CG1-CD1 3.95Å; V634-L638 HydrophobicContact CG1-CG 4.49Å; V634-L638 WeakPolarHBondContact O-CB 3.33Å; V634-L638 WeakPolarHBondContact O-CG 3.35Å; V634-L638 PolarHBondContact O-N 3.28Å; L638-A642 WeakPolarHBondContact O-CB 3.34Å; L638-A642 PolarHBondContact O-N 2.94Å
639	G	76.4	Confident	71.5	Confident	34 Å²	34	83.2 Å²	83.2	35%	0.351	53%	0.533	S	S	.	.	H	α-helix	trans	-63.8	-45	174.6	0	0	0	0	0	112.8	G635 A636 I637 A642 C643	G635-G639 PolarHBondContact O-N 3.25Å; A636-G639 PolarHBondContact O-N 3.45Å; I637-G639 VanDerWaalsContact C-N 3.31Å; I637-G639 PolarHBondContact O-N 2.97Å; G639-A642 PolarHBondContact O-N 3.08Å; G639-C643 WeakPolarHBondContact O-CB 3.2Å; G639-C643 PolarHBondContact O-N 3.44Å; G639-C643 PolarHBondContact O-SG 2.89Å; G639-C643 VanDerWaalsContact O-SG 3.39Å
640	I	80.6	Confident	73.2	Confident	113 Å²	113	84 Å²	84	58%	0.579	52%	0.524	S	S	*	.	H	α-helix	trans	-64.1	-44.4	177.3	-66.8	164.5	0	0	0	110.6	A636 I637 A642 C643 V644	A636-I640 VanDerWaalsContact O-CG1 3.28Å; A636-I640 WeakPolarHBondContact O-CG1 3.45Å; A636-I640 PolarHBondContact O-N 3.07Å; I637-I640 PolarHBondContact O-N 3.24Å; I640-A642 PolarHBondContact O-N 2.96Å; I640-C643 PolarHBondContact O-N 3.08Å; I640-V644 HydrophobicContact CG2-CG2 4.4Å; I640-V644 WeakPolarHBondContact O-CG2 3.37Å; I640-V644 PolarHBondContact O-N 3.25Å
641	V	83.1	Confident	74.9	Confident	76 Å²	76	83.6 Å²	83.6	46%	0.461	51%	0.513	S	S	.	.	H	α-helix	trans	-61.9	-43.3	177.1	173.6	0	0	0	0	111	I637 V644 L645	I637-V641 VanDerWaalsContact O-CG2 3.32Å; I637-V641 WeakPolarHBondContact O-CG2 3.47Å; I637-V641 PolarHBondContact O-N 3.3Å; V641-V644 PolarHBondContact O-N 3.18Å; V641-L645 HydrophobicContact CG1-CD1 3.97Å; V641-L645 HydrophobicContact CG1-CG 4.44Å; V641-L645 WeakPolarHBondContact O-CB 3.42Å; V641-L645 VanDerWaalsContact O-CG 3.27Å; V641-L645 WeakPolarHBondContact O-CG 3.29Å; V641-L645 PolarHBondContact O-N 2.77Å
642	A	80.1	Confident	76.5	Confident	45 Å²	45	85.3 Å²	85.3	37%	0.372	52%	0.515	S	S	.	.	H	α-helix	trans	-62.5	-43.2	175.7	0	0	0	0	0	112	L638 G639 I640 L645 I646	L638-A642 WeakPolarHBondContact O-CB 3.34Å; L638-A642 PolarHBondContact O-N 2.94Å; G639-A642 PolarHBondContact O-N 3.08Å; I640-A642 PolarHBondContact O-N 2.96Å; A642-L645 PolarHBondContact O-N 3.43Å; A642-I646 WeakPolarHBondContact O-CB 3.25Å; A642-I646 WeakPolarHBondContact O-CD1 3.49Å; A642-I646 WeakPolarHBondContact O-CG1 3.35Å; A642-I646 PolarHBondContact O-N 2.79Å
643	C	83	Confident	77.9	Confident	80 Å²	80	82.5 Å²	82.5	54%	0.541	50%	0.498	S	S	.	.	H	α-helix	trans	-62.4	-44	176.2	-76	0	0	0	0	112.2	G639 I640 L645 I646 V647	G639-C643 WeakPolarHBondContact O-CB 3.2Å; G639-C643 PolarHBondContact O-N 3.44Å; G639-C643 PolarHBondContact O-SG 2.89Å; G639-C643 VanDerWaalsContact O-SG 3.39Å; I640-C643 PolarHBondContact O-N 3.08Å; C643-L645 PolarHBondContact O-N 3.08Å; C643-I646 PolarHBondContact O-N 2.94Å; C643-V647 VanDerWaalsContact O-CG2 3.28Å; C643-V647 WeakPolarHBondContact O-CG2 3.42Å; C643-V647 PolarHBondContact O-N 2.93Å
644	V	86.4	Confident	79.3	Confident	78 Å²	78	80.7 Å²	80.7	47%	0.473	49%	0.492	S	S	.	.	H	α-helix	trans	-63.6	-41.7	177.3	172.6	0	0	0	0	111	I640 V641 V647 L648	I640-V644 HydrophobicContact CG2-CG2 4.4Å; I640-V644 WeakPolarHBondContact O-CG2 3.37Å; I640-V644 PolarHBondContact O-N 3.25Å; V641-V644 PolarHBondContact O-N 3.18Å; V644-V647 PolarHBondContact O-N 3.07Å; V644-L648 HydrophobicContact CG1-CD1 3.88Å; V644-L648 HydrophobicContact CG1-CG 4.48Å; V644-L648 WeakPolarHBondContact O-CB 3.04Å; V644-L648 WeakPolarHBondContact O-CG 3.48Å; V644-L648 PolarHBondContact O-N 3.34Å
645	L	85.8	Confident	80.1	Confident	108 Å²	108	81.6 Å²	81.6	57%	0.565	49%	0.494	S	S	*	.	H	α-helix	trans	-64.7	-40.8	176	-72.1	172	0	0	0	112.3	V641 A642 C643 C649	V641-L645 HydrophobicContact CG1-CD1 3.97Å; V641-L645 HydrophobicContact CG1-CG 4.44Å; V641-L645 WeakPolarHBondContact O-CB 3.42Å; V641-L645 VanDerWaalsContact O-CG 3.27Å; V641-L645 WeakPolarHBondContact O-CG 3.29Å; V641-L645 PolarHBondContact O-N 2.77Å; A642-L645 PolarHBondContact O-N 3.43Å; C643-L645 PolarHBondContact O-N 3.08Å; L645-C649 VanDerWaalsContact O-CB 3.26Å; L645-C649 WeakPolarHBondContact O-CB 3.06Å; L645-C649 PolarHBondContact O-N 3.48Å
646	I	85.6	Confident	80.8	Confident	101 Å²	101	83.7 Å²	83.7	52%	0.518	49%	0.493	S	S	.	.	H	α-helix	trans	-63.8	-46	175.9	-69.5	164.1	0	0	0	110.4	A642 C643 C649 L650	A642-I646 WeakPolarHBondContact O-CB 3.25Å; A642-I646 WeakPolarHBondContact O-CD1 3.49Å; A642-I646 WeakPolarHBondContact O-CG1 3.35Å; A642-I646 PolarHBondContact O-N 2.79Å; C643-I646 PolarHBondContact O-N 2.94Å; I646-C649 PolarHBondContact O-N 2.78Å; I646-L650 HydrophobicContact CG2-CD1 4.05Å; I646-L650 HydrophobicContact CG2-CG 4.43Å; I646-L650 VanDerWaalsContact O-CG 3.3Å; I646-L650 WeakPolarHBondContact O-CG 3Å; I646-L650 PolarHBondContact O-N 3.34Å
647	V	86.2	Confident	81	Confident	81 Å²	81	89.8 Å²	89.8	49%	0.491	50%	0.504	S	S	.	.	H	α-helix	trans	-63.8	-44.1	179	172.1	0	0	0	0	111.2	C643 V644 C649 L650 I651	C643-V647 VanDerWaalsContact O-CG2 3.28Å; C643-V647 WeakPolarHBondContact O-CG2 3.42Å; C643-V647 PolarHBondContact O-N 2.93Å; V644-V647 PolarHBondContact O-N 3.07Å; V647-C649 VanDerWaalsContact C-N 3.32Å; V647-C649 PolarHBondContact O-N 3.19Å; V647-L650 PolarHBondContact O-N 3.05Å; V647-I651 HydrophobicContact CG1-CD1 3.93Å; V647-I651 VanDerWaalsContact O-CG1 3.31Å; V647-I651 WeakPolarHBondContact O-CG1 3.42Å; V647-I651 PolarHBondContact O-N 2.89Å
648	L	87.4	Confident	80.8	Confident	95 Å²	95	87.4 Å²	87.4	50%	0.497	50%	0.5	S	S	.	.	H	α-helix	trans	-60.6	-42.1	174.4	-78	167	0	0	0	111.7	V644 L650 I651 V652	V644-L648 HydrophobicContact CG1-CD1 3.88Å; V644-L648 HydrophobicContact CG1-CG 4.48Å; V644-L648 WeakPolarHBondContact O-CB 3.04Å; V644-L648 WeakPolarHBondContact O-CG 3.48Å; V644-L648 PolarHBondContact O-N 3.34Å; L648-L650 PolarHBondContact O-N 3.39Å; L648-I651 PolarHBondContact O-N 3.02Å; L648-V652 VanDerWaalsContact O-CG2 3.3Å; L648-V652 WeakPolarHBondContact O-CG2 3.33Å; L648-V652 PolarHBondContact O-N 3.1Å
649	C	83	Confident	80.4	Confident	79 Å²	79	90.9 Å²	90.9	53%	0.534	51%	0.506	S	S	.	.	H	α-helix	trans	-63.5	-41.7	177.3	-153.6	0	0	0	0	111.4	L645 I646 V647 V652 V653	L645-C649 VanDerWaalsContact O-CB 3.26Å; L645-C649 WeakPolarHBondContact O-CB 3.06Å; L645-C649 PolarHBondContact O-N 3.48Å; I646-C649 PolarHBondContact O-N 2.78Å; V647-C649 VanDerWaalsContact C-N 3.32Å; V647-C649 PolarHBondContact O-N 3.19Å; C649-V652 PolarHBondContact O-N 2.78Å; C649-V653 WeakPolarHBondContact O-CB 3.28Å; C649-V653 VanDerWaalsContact O-CG2 3.25Å; C649-V653 WeakPolarHBondContact O-CG2 3.19Å; C649-V653 PolarHBondContact O-N 3.42Å
650	L	84	Confident	79.5	Confident	110 Å²	110	92.6 Å²	92.6	58%	0.576	51%	0.506	S	S	*	.	H	α-helix	trans	-64.5	-40.1	175.3	-70.1	173.1	0	0	0	112.4	I646 V647 L648 V653 A654	I646-L650 HydrophobicContact CG2-CD1 4.05Å; I646-L650 HydrophobicContact CG2-CG 4.43Å; I646-L650 VanDerWaalsContact O-CG 3.3Å; I646-L650 WeakPolarHBondContact O-CG 3Å; I646-L650 PolarHBondContact O-N 3.34Å; V647-L650 PolarHBondContact O-N 3.05Å; L648-L650 PolarHBondContact O-N 3.39Å; L650-V653 PolarHBondContact O-N 3.3Å; L650-A654 WeakPolarHBondContact O-CB 3.32Å; L650-A654 PolarHBondContact O-N 2.92Å
651	I	85.9	Confident	78.2	Confident	87 Å²	87	90.4 Å²	90.4	45%	0.446	51%	0.505	S	S	.	.	H	α-helix	trans	-64.4	-44.8	175	-68	166.6	0	0	0	110.5	V647 L648 V653 A654 L655	V647-I651 HydrophobicContact CG1-CD1 3.93Å; V647-I651 VanDerWaalsContact O-CG1 3.31Å; V647-I651 WeakPolarHBondContact O-CG1 3.42Å; V647-I651 PolarHBondContact O-N 2.89Å; L648-I651 PolarHBondContact O-N 3.02Å; I651-V653 VanDerWaalsContact C-N 3.34Å; I651-V653 PolarHBondContact O-N 2.71Å; I651-A654 PolarHBondContact O-N 2.91Å; I651-L655 HydrophobicContact CG2-CD1 3.94Å; I651-L655 HydrophobicContact CG2-CG 4.37Å; I651-L655 WeakPolarHBondContact O-CB 3.23Å; I651-L655 WeakPolarHBondContact O-CG 3.42Å; I651-L655 PolarHBondContact O-N 2.85Å
652	V	83.6	Confident	76.4	Confident	79 Å²	79	94.7 Å²	94.7	48%	0.479	52%	0.52	S	S	.	.	H	α-helix	trans	-61.7	-43.2	176.3	170.3	0	0	0	0	110.9	L648 C649 L655 L656	L648-V652 VanDerWaalsContact O-CG2 3.3Å; L648-V652 WeakPolarHBondContact O-CG2 3.33Å; L648-V652 PolarHBondContact O-N 3.1Å; C649-V652 PolarHBondContact O-N 2.78Å; V652-L655 PolarHBondContact O-N 3.01Å; V652-L656 HydrophobicContact CG1-CD1 3.82Å; V652-L656 VanDerWaalsContact O-CB 3.29Å; V652-L656 WeakPolarHBondContact O-CB 3.21Å; V652-L656 WeakPolarHBondContact O-CG 3.37Å; V652-L656 PolarHBondContact O-N 2.75Å
653	V	80	Confident	74.7	Confident	57 Å²	57	102.8 Å²	102.8	35%	0.345	54%	0.541	S	S	.	.	H	α-helix	trans	-63.6	-40.1	174.8	170.6	0	0	0	0	111.2	C649 L650 I651 L656 R657	C649-V653 WeakPolarHBondContact O-CB 3.28Å; C649-V653 VanDerWaalsContact O-CG2 3.25Å; C649-V653 WeakPolarHBondContact O-CG2 3.19Å; C649-V653 PolarHBondContact O-N 3.42Å; L650-V653 PolarHBondContact O-N 3.3Å; I651-V653 VanDerWaalsContact C-N 3.34Å; I651-V653 PolarHBondContact O-N 2.71Å; V653-L656 PolarHBondContact O-N 2.84Å; V653-R657 HydrophobicContact CG1-CG 4.37Å; V653-R657 VanDerWaalsContact O-CB 3.29Å; V653-R657 WeakPolarHBondContact O-CB 3.41Å; V653-R657 VanDerWaalsContact O-CG 3.26Å; V653-R657 WeakPolarHBondContact O-CG 3.34Å; V653-R657 PolarHBondContact O-N 2.82Å
654	A	79.9	Confident	72.4	Confident	57 Å²	57	106.8 Å²	106.8	47%	0.471	54%	0.544	S	S	.	.	H	α-helix	trans	-66	-42.8	176.9	0	0	0	0	0	111.9	L650 I651 R657 A658	L650-A654 WeakPolarHBondContact O-CB 3.32Å; L650-A654 PolarHBondContact O-N 2.92Å; I651-A654 PolarHBondContact O-N 2.91Å; A654-R657 PolarHBondContact O-N 3.22Å; A654-A658 WeakPolarHBondContact O-CB 2.99Å; A654-A658 PolarHBondContact O-N 3.18Å
655	L	79.2	Confident	70	Confident	112 Å²	112	110 Å²	110	59%	0.586	56%	0.564	S	S	*	*	H	α-helix	trans	-67.2	-39	175.5	-70	172.3	0	0	0	112	I651 V652 A658 R659	I651-L655 HydrophobicContact CG2-CD1 3.94Å; I651-L655 HydrophobicContact CG2-CG 4.37Å; I651-L655 WeakPolarHBondContact O-CB 3.23Å; I651-L655 WeakPolarHBondContact O-CG 3.42Å; I651-L655 PolarHBondContact O-N 2.85Å; V652-L655 PolarHBondContact O-N 3.01Å; L655-A658 PolarHBondContact O-N 3.06Å; L655-R659 WeakPolarHBondContact O-CB 3.49Å; L655-R659 PolarHBondContact O-N 2.84Å
656	L	74.5	Confident	67.2	Low	91 Å²	91	107.3 Å²	107.3	48%	0.476	56%	0.563	S	S	.	*	H	α-helix	trans	-62.8	-44.6	171	-84.5	162.5	0	0	0	110.8	V652 V653 R659 I660	V652-L656 HydrophobicContact CG1-CD1 3.82Å; V652-L656 VanDerWaalsContact O-CB 3.29Å; V652-L656 WeakPolarHBondContact O-CB 3.21Å; V652-L656 WeakPolarHBondContact O-CG 3.37Å; V652-L656 PolarHBondContact O-N 2.75Å; V653-L656 PolarHBondContact O-N 2.84Å; L656-R659 PolarHBondContact O-N 2.77Å; L656-I660 HydrophobicContact CB-CD1 4.49Å; L656-I660 VanDerWaalsContact O-CB 3.24Å; L656-I660 WeakPolarHBondContact O-CB 3.13Å; L656-I660 WeakPolarHBondContact O-CD1 3.1Å; L656-I660 WeakPolarHBondContact O-CG1 3.05Å; L656-I660 PolarHBondContact O-N 2.03Å
657	R	71.3	Confident	64.6	Low	182 Å²	182	105.7 Å²	105.7	69%	0.687	57%	0.571	S	S	*	*	H	α-helix	trans	-63.7	-39.2	175.9	-79.1	-179.1	179.4	-165.3	1.2	112	V653 A654 I660 A661	V653-R657 HydrophobicContact CG1-CG 4.37Å; V653-R657 VanDerWaalsContact O-CB 3.29Å; V653-R657 WeakPolarHBondContact O-CB 3.41Å; V653-R657 VanDerWaalsContact O-CG 3.26Å; V653-R657 WeakPolarHBondContact O-CG 3.34Å; V653-R657 PolarHBondContact O-N 2.82Å; A654-R657 PolarHBondContact O-N 3.22Å; R657-I660 PolarHBondContact O-N 2.77Å; R657-A661 WeakPolarHBondContact O-CB 3.21Å; R657-A661 PolarHBondContact O-N 2.86Å
658	A	67.9	Low	62.1	Low	55 Å²	55	111.2 Å²	111.2	46%	0.455	59%	0.589	S	S	.	*	H	α-helix	trans	-65.8	-43.4	174.6	0	0	0	0	0	111.6	A654 L655 A661 Q662	A654-A658 WeakPolarHBondContact O-CB 2.99Å; A654-A658 PolarHBondContact O-N 3.18Å; L655-A658 PolarHBondContact O-N 3.06Å; A658-A661 PolarHBondContact O-N 2.67Å; A658-Q662 PolarHBondContact O-N 2.77Å
659	R	65.5	Low	59.7	Low	189 Å²	189	115.6 Å²	115.6	71%	0.713	60%	0.604	S	S	*	*	H	α-helix	trans	-64.4	-37.3	172.9	-87.8	-176.2	171.7	174.2	-0.9	112.9	L655 L656 R663	L655-R659 WeakPolarHBondContact O-CB 3.49Å; L655-R659 PolarHBondContact O-N 2.84Å; L656-R659 PolarHBondContact O-N 2.77Å; R659-R663 PolarHBondContact O-N 3.17Å
660	I	56.7	Low	58	Low	69 Å²	69	116.9 Å²	116.9	35%	0.354	61%	0.614	S	S	.	*	H	α-helix	trans	-71.9	-37.2	176.6	-70.8	164	0	0	0	110.2	L656 R657 R663 R664	L656-I660 HydrophobicContact CB-CD1 4.49Å; L656-I660 VanDerWaalsContact O-CB 3.24Å; L656-I660 WeakPolarHBondContact O-CB 3.13Å; L656-I660 WeakPolarHBondContact O-CD1 3.1Å; L656-I660 WeakPolarHBondContact O-CG1 3.05Å; L656-I660 PolarHBondContact O-N 2.03Å; R657-I660 PolarHBondContact O-N 2.77Å; I660-R663 CarbonylContact O-C 3.55Å; I660-R663 PolarHBondContact O-N 2.93Å; I660-R664 HydrophobicContact CG2-CG 4.11Å; I660-R664 VanDerWaalsContact O-CB 3.28Å; I660-R664 WeakPolarHBondContact O-CB 3.35Å; I660-R664 WeakPolarHBondContact O-CG 3.4Å; I660-R664 PolarHBondContact O-N 3.12Å
661	A	52.4	Low	56.3	Low	68 Å²	68	120.5 Å²	120.5	56%	0.562	62%	0.62	S	S	*	*	H	α-helix	trans	-65.9	-40.7	175.5	0	0	0	0	0	111.6	R657 A658 R663 R664	R657-A661 WeakPolarHBondContact O-CB 3.21Å; R657-A661 PolarHBondContact O-N 2.86Å; A658-A661 PolarHBondContact O-N 2.67Å; A661-R663 VanDerWaalsContact C-N 3.26Å; A661-R663 PolarHBondContact O-N 3.44Å; A661-R664 PolarHBondContact O-N 2.9Å
662	Q	45.7	Very low	54.8	Low	165 Å²	165	119.6 Å²	119.6	77%	0.771	62%	0.616	S	S	*	*	H	α-helix	trans	-67.4	-23.6	172.2	-93.3	-173.8	-39.4	0	0	113.7	A658	A658-Q662 PolarHBondContact O-N 2.77Å
663	R	43.9	Very low	53.6	Low	216 Å²	216	119.2 Å²	119.2	82%	0.815	62%	0.617	S	S	*	*	H	α-helix	trans	-96.6	-4.7	177.9	-75.8	-175.3	176.2	-178.1	-1.5	114.7	R659 I660 A661	R659-R663 PolarHBondContact O-N 3.17Å; I660-R663 CarbonylContact O-C 3.55Å; I660-R663 PolarHBondContact O-N 2.93Å; A661-R663 VanDerWaalsContact C-N 3.26Å; A661-R663 PolarHBondContact O-N 3.44Å
664	R	36.3	Very low	52.4	Low	164 Å²	164	119.9 Å²	119.9	62%	0.619	62%	0.618	S	S	*	*			trans	-109.1	28	-176.8	-77.6	-172.9	178.9	172.1	-1.2	114.4	I660 A661 G666	I660-R664 HydrophobicContact CG2-CG 4.11Å; I660-R664 VanDerWaalsContact O-CB 3.28Å; I660-R664 WeakPolarHBondContact O-CB 3.35Å; I660-R664 WeakPolarHBondContact O-CG 3.4Å; I660-R664 PolarHBondContact O-N 3.12Å; A661-R664 PolarHBondContact O-N 2.9Å; R664-G666 PolarHBondContact O-N 3.35Å; R664-G666 VanDerWaalsContact O-N 3.15Å
665	T	34.5	Very low	51.3	Low	144 Å²	144	118.4 Å²	118.4	88%	0.883	60%	0.601	S	S	*	*	S	Bend	trans	-64.4	5.6	149.6	42.3	0	0	0	0	113
666	G	27.6	Very low	50.5	Low	53 Å²	53	116.6 Å²	116.6	55%	0.546	59%	0.594	S	S	.	*	S	Bend	trans	-139.4	113.8	166.3	0	0	0	0	0	112.5	R664	R664-G666 PolarHBondContact O-N 3.35Å; R664-G666 VanDerWaalsContact O-N 3.15Å
667	G	30.3	Very low	49.8	Very low	67 Å²	67	115.4 Å²	115.4	69%	0.691	60%	0.598	S	S	*	*			trans	86.9	120.6	144.5	0	0	0	0	0	119.4
668	K	34.7	Very low	49	Very low	196 Å²	196	111.9 Å²	111.9	85%	0.852	59%	0.589	S	S	*	*			trans	90.2	91.7	157.5	-65	-174.9	175.7	-178.5	0	118.6
669	F	36.3	Very low	48.5	Very low	187 Å²	187	113.7 Å²	113.7	82%	0.82	59%	0.591	S	S	*	*			trans	-1.2	126.1	146.7	-65	-88.8	0	0	0	117.8	D674	F669-D674 HydrophobicContact CD1-CB 4.46Å
670	S	47.9	Very low	48	Very low	106 Å²	106	113.5 Å²	113.5	74%	0.741	60%	0.598	S	S	*	*			trans	-139.1	21.8	-177.7	65.1	0	0	0	0	115.1
671	R	49.1	Very low	47.9	Very low	186 Å²	186	114.8 Å²	114.8	70%	0.702	61%	0.613	S	S	*	*			trans	-124.3	127.4	174.7	-69.7	-173	175.1	-179.4	-0.6	112	S673 D674 F675	R671-S673 WeakPolarHBondContact CB-OG 3.16Å; R671-S673 PolarHBondContact O-N 3.07Å; R671-D674 WeakPolarHBondContact O-CB 3.43Å; R671-D674 PolarHBondContact O-N 3.24Å; R671-F675 PolarHBondContact O-N 2.75Å
672	L	52.8	Low	48.2	Very low	68 Å²	68	114.5 Å²	114.5	36%	0.356	62%	0.617	S	S	.	*	H	α-helix	trans	-58.9	-24.3	173.8	-163.8	76	0	0	0	111.9	D674 F675 V676	L672-D674 VanDerWaalsContact C-N 3.26Å; L672-D674 PolarHBondContact O-N 3.41Å; L672-F675 HydrophobicContact CD1-CD1 4.44Å; L672-F675 WeakPolarHBondContact O-CB 3.26Å; L672-F675 PolarHBondContact O-N 2.65Å; L672-V676 WeakPolarHBondContact O-CG2 3.49Å; L672-V676 PolarHBondContact O-N 2.65Å
673	S	59	Low	48.9	Very low	72 Å²	72	113 Å²	113	50%	0.503	62%	0.619	S	S	.	*	H	α-helix	trans	-58.7	-37.8	170.4	55.8	0	0	0	0	112.5	R671 F675 V676 A677	R671-S673 WeakPolarHBondContact CB-OG 3.16Å; R671-S673 PolarHBondContact O-N 3.07Å; S673-F675 VanDerWaalsContact C-N 3.33Å; S673-V676 PolarHBondContact O-N 2.95Å; S673-A677 PolarHBondContact O-N 2.04Å; S673-A677 VanDerWaalsContact O-N 3.11Å
674	D	55.1	Low	49.9	Very low	70 Å²	70	104.7 Å²	104.7	37%	0.374	59%	0.592	S	S	.	*	H	α-helix	trans	-75.6	-30	-179.4	-52.6	-12.2	0	0	0	110.3	F669 R671 L672 Q678	F669-D674 HydrophobicContact CD1-CB 4.46Å; R671-D674 WeakPolarHBondContact O-CB 3.43Å; R671-D674 PolarHBondContact O-N 3.24Å; L672-D674 VanDerWaalsContact C-N 3.26Å; L672-D674 PolarHBondContact O-N 3.41Å; D674-Q678 PolarHBondContact O-N 3.38Å
675	F	57.4	Low	51.3	Low	26 Å²	26	103.5 Å²	103.5	11%	0.114	60%	0.603	C	S	.	*	H	α-helix	trans	-69	-40.1	173.7	-175.8	-95.5	0	0	0	111.8	R671 L672 S673 Q678 L679 V684 A686 L694	R671-F675 PolarHBondContact O-N 2.75Å; L672-F675 HydrophobicContact CD1-CD1 4.44Å; L672-F675 WeakPolarHBondContact O-CB 3.26Å; L672-F675 PolarHBondContact O-N 2.65Å; S673-F675 VanDerWaalsContact C-N 3.33Å; F675-Q678 PolarHBondContact O-N 3.03Å; F675-L679 HydrophobicContact CE1-CD1 4.35Å; F675-L679 PolarHBondContact O-N 2.85Å; F675-V684 HydrophobicContact CD2-CG1 3.87Å; F675-V684 HydrophobicContact CE2-CB 3.95Å; F675-V684 HydrophobicContact CE2-CG1 3.3Å; F675-V684 HydrophobicContact CZ-CB 4.14Å; F675-V684 HydrophobicContact CZ-CG1 4Å; F675-A686 HydrophobicContact CE2-CB 4.33Å; F675-A686 HydrophobicContact CZ-CB 3.77Å; F675-L694 HydrophobicContact CE1-CD1 4.37Å
676	V	60.8	Low	53	Low	74 Å²	74	98.2 Å²	98.2	45%	0.448	57%	0.573	S	S	.	*	H	α-helix	trans	-67.6	-37	175.2	176.2	0	0	0	0	111.4	L672 S673 Q678 L679	L672-V676 WeakPolarHBondContact O-CG2 3.49Å; L672-V676 PolarHBondContact O-N 2.65Å; S673-V676 PolarHBondContact O-N 2.95Å; V676-Q678 VanDerWaalsContact C-N 3.26Å; V676-Q678 PolarHBondContact O-N 3.06Å; V676-L679 PolarHBondContact O-N 3.48Å
677	A	60.6	Low	55.2	Low	67 Å²	67	98.4 Å²	98.4	55%	0.554	57%	0.566	S	S	*	*	H	α-helix	trans	-64.6	-26.9	175.2	0	0	0	0	0	113.3	S673	S673-A677 PolarHBondContact O-N 2.04Å; S673-A677 VanDerWaalsContact O-N 3.11Å
678	Q	54.2	Low	57.3	Low	108 Å²	108	102.3 Å²	102.3	51%	0.505	57%	0.57	S	S	.	*	H	α-helix	trans	-80	-19.7	175	-84.9	-171.7	-21.1	0	0	114.5	D674 F675 V676 E680 S681 V684	D674-Q678 PolarHBondContact O-N 3.38Å; F675-Q678 PolarHBondContact O-N 3.03Å; V676-Q678 VanDerWaalsContact C-N 3.26Å; V676-Q678 PolarHBondContact O-N 3.06Å; Q678-E680 PolarHBondContact O-N 3.42Å; Q678-E680 VanDerWaalsContact O-N 3.15Å; Q678-S681 PolarHBondContact O-N 3.4Å; Q678-S681 PolarHBondContact O-OG 3.03Å; Q678-V684 HydrophobicContact CB-CG2 3.93Å
679	L	57.5	Low	59.2	Low	93 Å²	93	99.3 Å²	99.3	49%	0.487	56%	0.564	S	S	.	*	G	3₁₀ helix	trans	-61.9	-20.4	177.1	-82.7	162.5	0	0	0	112.7	F675 V676 S681	F675-L679 HydrophobicContact CE1-CD1 4.35Å; F675-L679 PolarHBondContact O-N 2.85Å; V676-L679 PolarHBondContact O-N 3.48Å; L679-S681 PolarHBondContact O-N 3.33Å
680	E	54.6	Low	60.8	Low	185 Å²	185	93.3 Å²	93.3	86%	0.864	54%	0.538	S	S	*	.	G	3₁₀ helix	trans	-69.7	-10.7	171.7	-68	-173.9	167.2	0	0	113.6	Q678	Q678-E680 PolarHBondContact O-N 3.42Å; Q678-E680 VanDerWaalsContact O-N 3.15Å
681	S	55.2	Low	62.1	Low	96 Å²	96	91.1 Å²	91.1	67%	0.671	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-106.9	14.2	-178.7	64.6	0	0	0	0	115.1	Q678 L679	Q678-S681 PolarHBondContact O-N 3.4Å; Q678-S681 PolarHBondContact O-OG 3.03Å; L679-S681 PolarHBondContact O-N 3.33Å
682	G	58.2	Low	63.3	Low	62 Å²	62	85 Å²	85	64%	0.639	51%	0.507	S	S	*	.	S	Bend	trans	102	-31.8	155.4	0	0	0	0	0	117.2
683	V	61.6	Low	64.4	Low	134 Å²	134	86.2 Å²	86.2	81%	0.812	51%	0.511	S	S	*	.			trans	-154.6	124.6	177.3	-172.9	0	0	0	0	111.3
684	V	64.5	Low	65.2	Low	40 Å²	40	84.1 Å²	84.1	24%	0.242	49%	0.494	C	S	.	.			trans	-131.8	134.8	173.7	-161.7	0	0	0	0	110.9	F675 Q678	F675-V684 HydrophobicContact CD2-CG1 3.87Å; F675-V684 HydrophobicContact CE2-CB 3.95Å; F675-V684 HydrophobicContact CE2-CG1 3.3Å; F675-V684 HydrophobicContact CZ-CB 4.14Å; F675-V684 HydrophobicContact CZ-CG1 4Å; Q678-V684 HydrophobicContact CB-CG2 3.93Å
685	V	66.2	Low	66.3	Low	140 Å²	140	88.2 Å²	88.2	85%	0.848	51%	0.509	S	S	*	.			trans	-80.1	117.4	174.7	-178.7	0	0	0	0	109.1
686	A	69.9	Low	67.2	Low	32 Å²	32	91.2 Å²	91.2	26%	0.264	54%	0.538	S	S	.	.			trans	-109.7	149.2	179.4	0	0	0	0	0	111.6	F675 Q690 L691	F675-A686 HydrophobicContact CE2-CB 4.33Å; F675-A686 HydrophobicContact CZ-CB 3.77Å; A686-Q690 HydrophobicContact CB-CB 4.21Å; A686-L691 HydrophobicContact CB-CD1 4.48Å; A686-L691 HydrophobicContact CB-CG 4.16Å
687	S	72.4	Confident	68	Low	58 Å²	58	95.7 Å²	95.7	41%	0.406	55%	0.547	S	S	.	.			trans	-74.5	160.7	166.4	74.2	0	0	0	0	111.4	D689 Q690 L691	S687-D689 PolarHBondContact O-N 3.12Å; S687-Q690 WeakPolarHBondContact O-CB 3.33Å; S687-Q690 PolarHBondContact O-N 3.18Å; S687-Q690 VanDerWaalsContact O-N 3.12Å; S687-Q690 WeakPolarHBondContact OG-CG 3.11Å; S687-Q690 PolarHBondContact OG-N 3.46Å; S687-L691 PolarHBondContact O-N 3.11Å; S687-L691 VanDerWaalsContact O-N 3.11Å
688	L	74.6	Confident	68.6	Low	148 Å²	148	95.8 Å²	95.8	78%	0.775	56%	0.555	S	S	*	*	H	α-helix	trans	-57.6	-35.7	176.7	-82	162.4	0	0	0	112.8	L691 A692	L688-L691 PolarHBondContact O-N 2.95Å; L688-A692 WeakPolarHBondContact O-CB 3.34Å; L688-A692 PolarHBondContact O-N 3.48Å
689	D	74.4	Confident	69.6	Low	133 Å²	133	97.6 Å²	97.6	71%	0.711	56%	0.558	S	S	*	*	H	α-helix	trans	-66.9	-39	177.3	-63.3	-34.3	0	0	0	111.9	S687 A692 E693	S687-D689 PolarHBondContact O-N 3.12Å; D689-A692 PolarHBondContact O-N 3.49Å; D689-E693 PolarHBondContact O-N 2.76Å
690	Q	71.8	Confident	70.1	Confident	61 Å²	61	98.6 Å²	98.6	29%	0.285	57%	0.573	S	S	.	*	H	α-helix	trans	-64.8	-40.4	175.9	-70	175.3	-46.3	0	0	111.5	A686 S687 E693 L694	A686-Q690 HydrophobicContact CB-CB 4.21Å; S687-Q690 WeakPolarHBondContact O-CB 3.33Å; S687-Q690 PolarHBondContact O-N 3.18Å; S687-Q690 VanDerWaalsContact O-N 3.12Å; S687-Q690 WeakPolarHBondContact OG-CG 3.11Å; S687-Q690 PolarHBondContact OG-N 3.46Å; Q690-E693 PolarHBondContact O-N 3.44Å; Q690-L694 WeakPolarHBondContact O-CG 3.39Å; Q690-L694 PolarHBondContact O-N 3.44Å; Q690-L694 VanDerWaalsContact O-N 3.13Å
691	L	73.2	Confident	70.9	Confident	60 Å²	60	93.4 Å²	93.4	31%	0.314	55%	0.55	S	S	.	*	H	α-helix	trans	-64.4	-41.3	174.4	-77.4	157.3	0	0	0	112	A686 S687 L688 L694 K695 I701	A686-L691 HydrophobicContact CB-CD1 4.48Å; A686-L691 HydrophobicContact CB-CG 4.16Å; S687-L691 PolarHBondContact O-N 3.11Å; S687-L691 VanDerWaalsContact O-N 3.11Å; L688-L691 PolarHBondContact O-N 2.95Å; L691-L694 PolarHBondContact O-N 3.25Å; L691-K695 WeakPolarHBondContact O-CB 3.41Å; L691-K695 PolarHBondContact O-N 2.89Å; L691-I701 HydrophobicContact CD2-CD1 3.93Å; L691-I701 HydrophobicContact CD2-CG2 3.65Å; L691-I701 WeakPolarHBondContact O-CD1 3.31Å
692	A	75.9	Confident	71.4	Confident	58 Å²	58	98.5 Å²	98.5	48%	0.479	58%	0.577	S	S	.	*	H	α-helix	trans	-63.1	-42.3	177.8	0	0	0	0	0	111.8	L688 D689 K695 A696	L688-A692 WeakPolarHBondContact O-CB 3.34Å; L688-A692 PolarHBondContact O-N 3.48Å; D689-A692 PolarHBondContact O-N 3.49Å; A692-K695 PolarHBondContact O-N 3.48Å; A692-A696 WeakPolarHBondContact O-CB 3.18Å; A692-A696 PolarHBondContact O-N 2.94Å
693	E	76.1	Confident	72.1	Confident	94 Å²	94	100.4 Å²	100.4	44%	0.439	57%	0.574	S	S	.	*	H	α-helix	trans	-68.6	-38.1	178.6	-168.1	166.9	171.9	0	0	112.6	D689 Q690 K695 A696 R697	D689-E693 PolarHBondContact O-N 2.76Å; Q690-E693 PolarHBondContact O-N 3.44Å; E693-K695 PolarHBondContact O-N 3.39Å; E693-A696 PolarHBondContact O-N 2.7Å; E693-R697 PolarHBondContact O-N 3.47Å; E693-R697 VanDerWaalsContact O-N 3.13Å; E693-R697 IonicContact OE1-CZ 2.73Å; E693-R697 IonicContact OE1-NE 2.77Å; E693-R697 IonicContact OE1-NH2 2.65Å; E693-R697 PolarHBondContact OE1-NH2 2.81Å
694	L	75.9	Confident	72.6	Confident	27 Å²	27	98.6 Å²	98.6	14%	0.141	56%	0.561	C	S	.	*	H	α-helix	trans	-62	-42.9	173.9	-75.1	169.9	0	0	0	111.8	F675 Q690 L691 R697 G698 Y699 I701	F675-L694 HydrophobicContact CE1-CD1 4.37Å; Q690-L694 WeakPolarHBondContact O-CG 3.39Å; Q690-L694 PolarHBondContact O-N 3.44Å; Q690-L694 VanDerWaalsContact O-N 3.13Å; L691-L694 PolarHBondContact O-N 3.25Å; L694-R697 PolarHBondContact O-N 3.01Å; L694-G698 PolarHBondContact O-N 3.15Å; L694-Y699 HydrophobicContact CD2-CD2 4.05Å; L694-Y699 HydrophobicContact CD2-CE2 4.49Å; L694-Y699 HydrophobicContact CD2-CG 4.45Å; L694-Y699 PolarHBondContact O-N 3.35Å; L694-Y699 VanDerWaalsContact O-N 3.15Å; L694-I701 HydrophobicContact CB-CD1 4.11Å
695	K	77.6	Confident	73.1	Confident	157 Å²	157	101.8 Å²	101.8	68%	0.683	58%	0.579	S	S	*	*	H	α-helix	trans	-66.4	-38.6	177.6	-154.7	174.1	-173.3	175.6	0	111.9	L691 A692 E693 R697 G698 I701	L691-K695 WeakPolarHBondContact O-CB 3.41Å; L691-K695 PolarHBondContact O-N 2.89Å; A692-K695 PolarHBondContact O-N 3.48Å; E693-K695 PolarHBondContact O-N 3.39Å; K695-R697 PolarHBondContact O-N 3.49Å; K695-G698 PolarHBondContact O-N 3.18Å; K695-G698 VanDerWaalsContact O-N 3.1Å; K695-I701 HydrophobicContact CB-CD1 3.97Å; K695-I701 HydrophobicContact CG-CD1 4.47Å
696	A	76.5	Confident	73.5	Confident	89 Å²	89	99.6 Å²	99.6	74%	0.736	56%	0.563	S	S	*	*	H	α-helix	trans	-64.5	-27.7	175.7	0	0	0	0	0	113.1	A692 E693 G698	A692-A696 WeakPolarHBondContact O-CB 3.18Å; A692-A696 PolarHBondContact O-N 2.94Å; E693-A696 PolarHBondContact O-N 2.7Å; A696-G698 VanDerWaalsContact C-N 3.32Å
697	R	78.2	Confident	73.7	Confident	167 Å²	167	103.8 Å²	103.8	63%	0.63	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	4.8	174.3	-66.8	-173.4	-171.6	-145.7	5.6	114.2	E693 L694 K695 Y699	E693-R697 PolarHBondContact O-N 3.47Å; E693-R697 VanDerWaalsContact O-N 3.13Å; E693-R697 IonicContact OE1-CZ 2.73Å; E693-R697 IonicContact OE1-NE 2.77Å; E693-R697 IonicContact OE1-NH2 2.65Å; E693-R697 PolarHBondContact OE1-NH2 2.81Å; L694-R697 PolarHBondContact O-N 3.01Å; K695-R697 PolarHBondContact O-N 3.49Å; R697-Y699 HydrophobicContact CB-CD2 3.99Å; R697-Y699 HydrophobicContact CB-CE2 4.03Å
698	G	71.7	Confident	73.8	Confident	69 Å²	69	106.9 Å²	106.9	71%	0.711	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	87.1	11.2	174.4	0	0	0	0	0	115.3	L694 K695 A696	L694-G698 PolarHBondContact O-N 3.15Å; K695-G698 PolarHBondContact O-N 3.18Å; K695-G698 VanDerWaalsContact O-N 3.1Å; A696-G698 VanDerWaalsContact C-N 3.32Å
699	Y	75.2	Confident	73.7	Confident	147 Å²	147	103.9 Å²	103.9	58%	0.576	58%	0.58	S	S	*	*			trans	-74.8	132.5	173.2	-67.7	-85.8	0	0	0	110.6	L694 R697	L694-Y699 HydrophobicContact CD2-CD2 4.05Å; L694-Y699 HydrophobicContact CD2-CE2 4.49Å; L694-Y699 HydrophobicContact CD2-CG 4.45Å; L694-Y699 PolarHBondContact O-N 3.35Å; L694-Y699 VanDerWaalsContact O-N 3.15Å; R697-Y699 HydrophobicContact CB-CD2 3.99Å; R697-Y699 HydrophobicContact CB-CE2 4.03Å
700	S	69.4	Low	73.7	Confident	114 Å²	114	101.7 Å²	101.7	80%	0.797	57%	0.57	S	S	*	*			trans	-78.8	119.7	170.9	-175.5	0	0	0	0	109.3
701	I	70.2	Confident	73.8	Confident	76 Å²	76	105.1 Å²	105.1	39%	0.39	59%	0.594	S	S	.	*			trans	-104	117.4	-178.9	-52.3	168.2	0	0	0	106.8	L691 L694 K695	L691-I701 HydrophobicContact CD2-CD1 3.93Å; L691-I701 HydrophobicContact CD2-CG2 3.65Å; L691-I701 WeakPolarHBondContact O-CD1 3.31Å; L694-I701 HydrophobicContact CB-CD1 4.11Å; K695-I701 HydrophobicContact CB-CD1 3.97Å; K695-I701 HydrophobicContact CG-CD1 4.47Å
702	V	66	Low	73.9	Confident	203 Å²	203	109.2 Å²	109.2	100%	1.23	62%	0.619	S	S	*	*			trans	-97.5	0	178.5	179.9	0	0	0	0	110.2

Retrieved 702 of 702 residues in 511 ms (Link to these results)

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