A0AA82N864_SCHMA Loading...

Fucosyltransferase

AlphaFold DB (A0A5K4FBS4), UniProt , Accession A0AA82N864, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 434 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	27.9	Very low	30	Very low	244 Å²	244	159.5 Å²	159.5	100%	1.202	83%	0.827	S	S	*	*				0	111.8	0	-79.7	-178.5	-74.2	0	0	107.7
2	C	25	Very low	31.5	Very low	122 Å²	122	158.4 Å²	158.4	82%	0.824	82%	0.824	S	S	*	*			trans	-59.5	163.5	154.3	-77.2	0	0	0	0	109.4
3	E	27.5	Very low	33	Very low	180 Å²	180	159.5 Å²	159.5	84%	0.841	82%	0.818	S	S	*	*			trans	82.5	93.1	173.4	-54.5	-178.1	172.7	0	0	115.8
4	I	35.2	Very low	34.3	Very low	166 Å²	166	159.8 Å²	159.8	85%	0.851	81%	0.806	S	S	*	*				-142.7	80.6	112.9	-57.1	-170.3	0	0	0	106.9
5	F	26.7	Very low	36.1	Very low	224 Å²	224	153.2 Å²	153.2	98%	0.982	78%	0.78	S	S	*	*			trans	-81.7	106.9	151.2	-102	-87.7	0	0	0	105.9
6	G	26.9	Very low	38.2	Very low	49 Å²	49	151.6 Å²	151.6	51%	0.505	77%	0.773	S	S	.	*			trans	179.7	97.4	175.9	0	0	0	0	0	111.1
7	I	32	Very low	40.3	Very low	164 Å²	164	150 Å²	150	84%	0.841	76%	0.76	S	S	*	*				168.8	106.9	121.9	-81.3	156.1	0	0	0	108.9
8	V	29.7	Very low	42.3	Very low	124 Å²	124	146.3 Å²	146.3	75%	0.752	75%	0.746	S	S	*	*			trans	60.6	102	131.7	-171.5	0	0	0	0	118.8	R10	V8-R10 PolarHBondContact O-N 3.21Å
9	V	27.3	Very low	44.1	Very low	132 Å²	132	145.8 Å²	145.8	80%	0.8	74%	0.738	S	S	*	*			trans	-17.7	118.4	141.7	-179.1	0	0	0	0	114.7
10	R	31.5	Very low	46	Very low	232 Å²	232	144.2 Å²	144.2	88%	0.875	73%	0.731	S	S	*	*			trans	-167.6	129.7	136.6	-113.4	170.9	-177.1	-178	1.2	112.6	V8	V8-R10 PolarHBondContact O-N 3.21Å
11	N	40.8	Very low	47.7	Very low	117 Å²	117	142.8 Å²	142.8	63%	0.626	72%	0.724	S	S	*	*			trans	78.3	75	168.9	-73.5	-14.1	0	0	0	118.7	K13 Y14	N11-K13 PolarHBondContact O-N 3.41Å; N11-Y14 PolarHBondContact O-N 3.49Å
12	D	47.4	Very low	50.4	Low	147 Å²	147	134.8 Å²	134.8	79%	0.786	69%	0.689	S	S	*	*	H	α-helix	trans	-51	-18.8	168.6	-83.1	-38.5	0	0	0	115.7	L16	D12-L16 PolarHBondContact O-N 2.96Å
13	K	51.6	Low	53.1	Low	172 Å²	172	132 Å²	132	75%	0.748	67%	0.671	S	S	*	*	H	α-helix	trans	-75.3	-28.3	179.1	-111.5	-179	-179.7	176.7	0	114.3	N11 K17	N11-K13 PolarHBondContact O-N 3.41Å; K13-K17 WeakPolarHBondContact O-CG 3.22Å
14	Y	50.7	Low	56	Low	164 Å²	164	126.7 Å²	126.7	64%	0.643	65%	0.651	S	S	*	*	H	α-helix	trans	-86.1	-37.2	-179.2	-85.8	-84.2	0	0	0	112.2	N11 L16 K17 V18	N11-Y14 PolarHBondContact O-N 3.49Å; Y14-L16 PolarHBondContact O-N 2.8Å; Y14-K17 PolarHBondContact O-N 2.76Å; Y14-V18 WeakPolarHBondContact O-CG2 3.49Å; Y14-V18 PolarHBondContact O-N 3.33Å
15	S	60.7	Low	58.5	Low	61 Å²	61	122.3 Å²	122.3	43%	0.427	63%	0.634	S	S	.	*	H	α-helix	trans	-61	-42.5	175.9	178.8	0	0	0	0	112.1	V18 K19	S15-V18 PolarHBondContact O-N 2.72Å; S15-K19 WeakPolarHBondContact O-CB 3.43Å; S15-K19 WeakPolarHBondContact O-CG 3.43Å; S15-K19 PolarHBondContact O-N 3.38Å
16	L	69.8	Low	61.5	Low	128 Å²	128	116 Å²	116	67%	0.67	61%	0.61	S	S	*	*	H	α-helix	trans	-66.1	-41.4	177.3	-156.6	84.1	0	0	0	112	D12 Y14 K19 L20	D12-L16 PolarHBondContact O-N 2.96Å; Y14-L16 PolarHBondContact O-N 2.8Å; L16-K19 PolarHBondContact O-N 3.22Å; L16-L20 VanDerWaalsContact O-CB 3.28Å; L16-L20 WeakPolarHBondContact O-CB 3.45Å; L16-L20 PolarHBondContact O-N 3.15Å
17	K	73.9	Confident	64.5	Low	124 Å²	124	118.2 Å²	118.2	54%	0.539	61%	0.61	S	S	.	*	H	α-helix	trans	-62.6	-43.5	176.4	-79.2	-177.1	176.6	-172.4	0	112	K13 Y14 L20 L21	K13-K17 WeakPolarHBondContact O-CG 3.22Å; Y14-K17 PolarHBondContact O-N 2.76Å; K17-L20 PolarHBondContact O-N 3.49Å; K17-L21 WeakPolarHBondContact O-CB 3.47Å; K17-L21 WeakPolarHBondContact O-CD1 3.38Å; K17-L21 VanDerWaalsContact O-CG 3.22Å; K17-L21 WeakPolarHBondContact O-CG 3.27Å; K17-L21 PolarHBondContact O-N 3.07Å
18	V	76.5	Confident	67.3	Low	84 Å²	84	115.4 Å²	115.4	51%	0.509	60%	0.596	S	S	.	*	H	α-helix	trans	-65.3	-46	177.9	174.6	0	0	0	0	110.5	Y14 S15 L20 L21 V22	Y14-V18 WeakPolarHBondContact O-CG2 3.49Å; Y14-V18 PolarHBondContact O-N 3.33Å; S15-V18 PolarHBondContact O-N 2.72Å; V18-L20 VanDerWaalsContact C-N 3.33Å; V18-L20 PolarHBondContact O-N 2.9Å; V18-L21 PolarHBondContact O-N 3.34Å; V18-V22 HydrophobicContact CG1-CG2 4.44Å; V18-V22 VanDerWaalsContact O-CG2 3.3Å; V18-V22 WeakPolarHBondContact O-CG2 3.23Å; V18-V22 PolarHBondContact O-N 3.18Å
19	K	76.5	Confident	70.1	Confident	136 Å²	136	114.6 Å²	114.6	59%	0.591	59%	0.586	S	S	*	*	H	α-helix	trans	-59.5	-43.1	175.4	-73.8	179.8	-179.6	-177.4	0	112	S15 L16 V22 S23	S15-K19 WeakPolarHBondContact O-CB 3.43Å; S15-K19 WeakPolarHBondContact O-CG 3.43Å; S15-K19 PolarHBondContact O-N 3.38Å; L16-K19 PolarHBondContact O-N 3.22Å; K19-V22 PolarHBondContact O-N 3.33Å; K19-S23 WeakPolarHBondContact O-CB 3.39Å; K19-S23 PolarHBondContact O-N 3.39Å; K19-S23 PolarHBondContact O-OG 2.82Å
20	L	82.4	Confident	73	Confident	114 Å²	114	112.7 Å²	112.7	60%	0.597	57%	0.571	S	S	*	*	H	α-helix	trans	-63.4	-44.1	177.1	-169.6	72.1	0	0	0	111.6	L16 K17 V18 V22 S23 V24	L16-L20 VanDerWaalsContact O-CB 3.28Å; L16-L20 WeakPolarHBondContact O-CB 3.45Å; L16-L20 PolarHBondContact O-N 3.15Å; K17-L20 PolarHBondContact O-N 3.49Å; V18-L20 VanDerWaalsContact C-N 3.33Å; V18-L20 PolarHBondContact O-N 2.9Å; L20-V22 PolarHBondContact O-N 3.14Å; L20-S23 PolarHBondContact O-N 3.19Å; L20-V24 WeakPolarHBondContact O-CB 3.17Å; L20-V24 VanDerWaalsContact O-CG2 3.25Å; L20-V24 WeakPolarHBondContact O-CG2 3.36Å; L20-V24 PolarHBondContact O-N 2.77Å
21	L	82.7	Confident	75.6	Confident	114 Å²	114	105.7 Å²	105.7	60%	0.597	55%	0.55	S	S	*	.	H	α-helix	trans	-62.3	-41.4	177.2	-75.8	164.8	0	0	0	112	K17 V18 S25	K17-L21 WeakPolarHBondContact O-CB 3.47Å; K17-L21 WeakPolarHBondContact O-CD1 3.38Å; K17-L21 VanDerWaalsContact O-CG 3.22Å; K17-L21 WeakPolarHBondContact O-CG 3.27Å; K17-L21 PolarHBondContact O-N 3.07Å; V18-L21 PolarHBondContact O-N 3.34Å; L21-S25 WeakPolarHBondContact O-CB 2.92Å; L21-S25 PolarHBondContact O-N 3.27Å; L21-S25 PolarHBondContact O-OG 3.24Å
22	V	83.5	Confident	77.8	Confident	76 Å²	76	106.3 Å²	106.3	46%	0.461	54%	0.543	S	S	.	.	H	α-helix	trans	-64.3	-46.8	175.3	173.3	0	0	0	0	110.6	V18 K19 L20 V24 S25 I26	V18-V22 HydrophobicContact CG1-CG2 4.44Å; V18-V22 VanDerWaalsContact O-CG2 3.3Å; V18-V22 WeakPolarHBondContact O-CG2 3.23Å; V18-V22 PolarHBondContact O-N 3.18Å; K19-V22 PolarHBondContact O-N 3.33Å; L20-V22 PolarHBondContact O-N 3.14Å; V22-V24 PolarHBondContact O-N 2.67Å; V22-S25 PolarHBondContact O-N 3.17Å; V22-I26 HydrophobicContact CG1-CD1 3.87Å; V22-I26 WeakPolarHBondContact O-CG1 3.46Å; V22-I26 PolarHBondContact O-N 3.38Å
23	S	82.4	Confident	79.6	Confident	63 Å²	63	103.5 Å²	103.5	44%	0.441	53%	0.528	S	S	.	.	H	α-helix	trans	-61.7	-43.2	177.6	-61.8	0	0	0	0	112.7	K19 L20 S25 I26 I27	K19-S23 WeakPolarHBondContact O-CB 3.39Å; K19-S23 PolarHBondContact O-N 3.39Å; K19-S23 PolarHBondContact O-OG 2.82Å; L20-S23 PolarHBondContact O-N 3.19Å; S23-S25 VanDerWaalsContact C-N 3.33Å; S23-S25 PolarHBondContact O-N 3.14Å; S23-I26 PolarHBondContact O-N 3.15Å; S23-I27 VanDerWaalsContact O-CG1 3.29Å; S23-I27 WeakPolarHBondContact O-CG1 3.43Å; S23-I27 PolarHBondContact O-N 2.96Å
24	V	88.3	Confident	81	Confident	70 Å²	70	99.7 Å²	99.7	42%	0.424	52%	0.519	S	S	.	.	H	α-helix	trans	-63.3	-41.4	176.1	170.5	0	0	0	0	110.7	L20 V22 I26 I27 L28	L20-V24 WeakPolarHBondContact O-CB 3.17Å; L20-V24 VanDerWaalsContact O-CG2 3.25Å; L20-V24 WeakPolarHBondContact O-CG2 3.36Å; L20-V24 PolarHBondContact O-N 2.77Å; V22-V24 PolarHBondContact O-N 2.67Å; V24-I26 PolarHBondContact O-N 3.37Å; V24-I27 PolarHBondContact O-N 2.82Å; V24-L28 HydrophobicContact CG1-CD1 3.92Å; V24-L28 HydrophobicContact CG1-CG 4.36Å; V24-L28 WeakPolarHBondContact O-CB 3.08Å; V24-L28 VanDerWaalsContact O-CG 3.3Å; V24-L28 WeakPolarHBondContact O-CG 3.37Å; V24-L28 PolarHBondContact O-N 2.72Å
25	S	87.7	Confident	82.4	Confident	73 Å²	73	96.5 Å²	96.5	51%	0.51	51%	0.513	S	S	.	.	H	α-helix	trans	-64.2	-40.5	177.9	-57.2	0	0	0	0	111.9	L21 V22 S23 L28 L29	L21-S25 WeakPolarHBondContact O-CB 2.92Å; L21-S25 PolarHBondContact O-N 3.27Å; L21-S25 PolarHBondContact O-OG 3.24Å; V22-S25 PolarHBondContact O-N 3.17Å; S23-S25 VanDerWaalsContact C-N 3.33Å; S23-S25 PolarHBondContact O-N 3.14Å; S25-L28 PolarHBondContact O-N 3.36Å; S25-L29 WeakPolarHBondContact O-CB 3.36Å; S25-L29 PolarHBondContact O-N 3.21Å
26	I	89.5	Confident	83.3	Confident	92 Å²	92	96 Å²	96	47%	0.472	51%	0.508	S	S	.	.	H	α-helix	trans	-64.7	-44.2	175.4	-68.3	167.3	0	0	0	110.9	V22 S23 V24 L29 I30	V22-I26 HydrophobicContact CG1-CD1 3.87Å; V22-I26 WeakPolarHBondContact O-CG1 3.46Å; V22-I26 PolarHBondContact O-N 3.38Å; S23-I26 PolarHBondContact O-N 3.15Å; V24-I26 PolarHBondContact O-N 3.37Å; I26-L29 WeakPolarHBondContact O-CB 3.4Å; I26-L29 PolarHBondContact O-N 3.26Å; I26-I30 HydrophobicContact CG2-CD1 3.88Å; I26-I30 VanDerWaalsContact O-CG1 3.3Å; I26-I30 WeakPolarHBondContact O-CG1 3.08Å; I26-I30 PolarHBondContact O-N 3.02Å
27	I	90.1	Very high	83.7	Confident	96 Å²	96	91.9 Å²	91.9	49%	0.492	49%	0.487	S	S	.	.	H	α-helix	trans	-62.6	-44.8	177.9	-69.1	166	0	0	0	110.8	S23 V24 L29 I30 I31	S23-I27 VanDerWaalsContact O-CG1 3.29Å; S23-I27 WeakPolarHBondContact O-CG1 3.43Å; S23-I27 PolarHBondContact O-N 2.96Å; V24-I27 PolarHBondContact O-N 2.82Å; I27-L29 VanDerWaalsContact C-N 3.32Å; I27-L29 PolarHBondContact O-N 3.24Å; I27-I30 PolarHBondContact O-N 3.03Å; I27-I31 HydrophobicContact CG2-CD1 3.8Å; I27-I31 HydrophobicContact CG2-CG1 4.4Å; I27-I31 VanDerWaalsContact O-CG1 3.31Å; I27-I31 WeakPolarHBondContact O-CG1 3.39Å; I27-I31 PolarHBondContact O-N 3.36Å
28	L	90.1	Very high	83.8	Confident	105 Å²	105	89.1 Å²	89.1	55%	0.55	48%	0.482	S	S	.	.	H	α-helix	trans	-62.8	-39.3	176.6	-71.5	172.3	0	0	0	111.8	V24 S25 I31 W32	V24-L28 HydrophobicContact CG1-CD1 3.92Å; V24-L28 HydrophobicContact CG1-CG 4.36Å; V24-L28 WeakPolarHBondContact O-CB 3.08Å; V24-L28 VanDerWaalsContact O-CG 3.3Å; V24-L28 WeakPolarHBondContact O-CG 3.37Å; V24-L28 PolarHBondContact O-N 2.72Å; S25-L28 PolarHBondContact O-N 3.36Å; L28-I31 PolarHBondContact O-N 2.87Å; L28-W32 WeakPolarHBondContact O-CB 3.01Å; L28-W32 PolarHBondContact O-N 3.45Å
29	L	89.2	Confident	83.7	Confident	106 Å²	106	88.2 Å²	88.2	56%	0.555	48%	0.479	S	S	*	.	H	α-helix	trans	-62.4	-43.4	174.5	-161.8	91.1	0	0	0	111.4	S25 I26 I27 W32 L33	S25-L29 WeakPolarHBondContact O-CB 3.36Å; S25-L29 PolarHBondContact O-N 3.21Å; I26-L29 WeakPolarHBondContact O-CB 3.4Å; I26-L29 PolarHBondContact O-N 3.26Å; I27-L29 VanDerWaalsContact C-N 3.32Å; I27-L29 PolarHBondContact O-N 3.24Å; L29-W32 PolarHBondContact O-N 2.95Å; L29-L33 HydrophobicContact CD2-CD1 4.28Å; L29-L33 HydrophobicContact CG-CD1 4.35Å; L29-L33 WeakPolarHBondContact O-CB 3.45Å; L29-L33 VanDerWaalsContact O-CG 3.28Å; L29-L33 WeakPolarHBondContact O-CG 3.31Å; L29-L33 PolarHBondContact O-N 3.26Å
30	I	87.9	Confident	83.5	Confident	92 Å²	92	85.9 Å²	85.9	47%	0.472	47%	0.473	S	S	.	.	H	α-helix	trans	-64.2	-46	176.6	-67.8	166.2	0	0	0	110.6	I26 I27 W32 L33 V34	I26-I30 HydrophobicContact CG2-CD1 3.88Å; I26-I30 VanDerWaalsContact O-CG1 3.3Å; I26-I30 WeakPolarHBondContact O-CG1 3.08Å; I26-I30 PolarHBondContact O-N 3.02Å; I27-I30 PolarHBondContact O-N 3.03Å; I30-W32 VanDerWaalsContact C-N 3.26Å; I30-W32 PolarHBondContact O-N 3Å; I30-L33 PolarHBondContact O-N 3.22Å; I30-V34 HydrophobicContact CG2-CG2 4.17Å; I30-V34 WeakPolarHBondContact O-CB 2.84Å; I30-V34 VanDerWaalsContact O-CG2 3.28Å; I30-V34 WeakPolarHBondContact O-CG2 3.35Å; I30-V34 PolarHBondContact O-N 3.36Å
31	I	85.5	Confident	83.1	Confident	85 Å²	85	84.8 Å²	84.8	44%	0.436	47%	0.467	S	S	.	.	H	α-helix	trans	-59.1	-41.4	176.8	-70	169.2	0	0	0	110.5	I27 L28 N35	I27-I31 HydrophobicContact CG2-CD1 3.8Å; I27-I31 HydrophobicContact CG2-CG1 4.4Å; I27-I31 VanDerWaalsContact O-CG1 3.31Å; I27-I31 WeakPolarHBondContact O-CG1 3.39Å; I27-I31 PolarHBondContact O-N 3.36Å; L28-I31 PolarHBondContact O-N 2.87Å; I31-N35 WeakPolarHBondContact O-CB 3.23Å; I31-N35 PolarHBondContact O-N 3.32Å; I31-N35 PolarHBondContact O-ND2 2.93Å
32	W	86.4	Confident	82.3	Confident	130 Å²	130	84.2 Å²	84.2	49%	0.492	46%	0.461	S	S	.	.	I	π-helix	trans	-66	-45	177	-171.2	82.9	0	0	0	112	L28 L29 I30 V34 V36 V37	L28-W32 WeakPolarHBondContact O-CB 3.01Å; L28-W32 PolarHBondContact O-N 3.45Å; L29-W32 PolarHBondContact O-N 2.95Å; I30-W32 VanDerWaalsContact C-N 3.26Å; I30-W32 PolarHBondContact O-N 3Å; W32-V34 VanDerWaalsContact C-N 3.35Å; W32-V34 PolarHBondContact O-N 3.24Å; W32-V36 HydrophobicContact CD2-CB 4.5Å; W32-V36 HydrophobicContact CG-CB 4.08Å; W32-V36 HydrophobicContact CG-CG2 4.25Å; W32-V36 WeakPolarHBondContact O-CA 3.43Å; W32-V36 VanDerWaalsContact O-CB 3.27Å; W32-V36 WeakPolarHBondContact O-CB 3.22Å; W32-V36 PolarHBondContact O-N 3.2Å; W32-V37 HydrophobicContact CD2-CG2 4.45Å; W32-V37 HydrophobicContact CE3-CG2 3.87Å; W32-V37 HydrophobicContact CH2-CG2 4.02Å; W32-V37 HydrophobicContact CZ3-CG2 3.64Å; W32-V37 PolarHBondContact O-N 3.16Å; W32-V37 VanDerWaalsContact O-N 3.08Å
33	L	85.1	Confident	81.6	Confident	89 Å²	89	87.5 Å²	87.5	47%	0.466	47%	0.465	S	S	.	.	I	π-helix	trans	-64.5	-35.1	176.3	-73.3	171	0	0	0	113.1	L29 I30 V37 P38	L29-L33 HydrophobicContact CD2-CD1 4.28Å; L29-L33 HydrophobicContact CG-CD1 4.35Å; L29-L33 WeakPolarHBondContact O-CB 3.45Å; L29-L33 VanDerWaalsContact O-CG 3.28Å; L29-L33 WeakPolarHBondContact O-CG 3.31Å; L29-L33 PolarHBondContact O-N 3.26Å; I30-L33 PolarHBondContact O-N 3.22Å; L33-V37 HydrophobicContact CD2-CG2 4.07Å; L33-P38 WeakPolarHBondContact O-CD 3.36Å
34	V	81.8	Confident	80.7	Confident	91 Å²	91	91.1 Å²	91.1	55%	0.552	47%	0.473	S	S	*	.	I	π-helix	trans	-83.3	-37.1	-177.9	173.8	0	0	0	0	112.1	I30 W32 P38	I30-V34 HydrophobicContact CG2-CG2 4.17Å; I30-V34 WeakPolarHBondContact O-CB 2.84Å; I30-V34 VanDerWaalsContact O-CG2 3.28Å; I30-V34 WeakPolarHBondContact O-CG2 3.35Å; I30-V34 PolarHBondContact O-N 3.36Å; W32-V34 VanDerWaalsContact C-N 3.35Å; W32-V34 PolarHBondContact O-N 3.24Å; V34-P38 WeakPolarHBondContact O-CD 3.48Å; V34-P38 VanDerWaalsContact O-CG 3.3Å; V34-P38 WeakPolarHBondContact O-CG 3.43Å
35	N	80.6	Confident	79.3	Confident	98 Å²	98	91.4 Å²	91.4	52%	0.524	47%	0.471	S	S	.	.	I	π-helix	trans	-106.9	-35	-171.7	-59.5	-68.2	0	0	0	113.6	I31 S39	I31-N35 WeakPolarHBondContact O-CB 3.23Å; I31-N35 PolarHBondContact O-N 3.32Å; I31-N35 PolarHBondContact O-ND2 2.93Å; N35-S39 PolarHBondContact O-OG 3.24Å
36	V	78.5	Confident	77.7	Confident	51 Å²	51	91.4 Å²	91.4	31%	0.309	47%	0.466	S	S	.	.	I	π-helix	trans	-93.7	-39.4	-172.6	-174.3	0	0	0	0	111.6	W32 S39 L40	W32-V36 HydrophobicContact CD2-CB 4.5Å; W32-V36 HydrophobicContact CG-CB 4.08Å; W32-V36 HydrophobicContact CG-CG2 4.25Å; W32-V36 WeakPolarHBondContact O-CA 3.43Å; W32-V36 VanDerWaalsContact O-CB 3.27Å; W32-V36 WeakPolarHBondContact O-CB 3.22Å; W32-V36 PolarHBondContact O-N 3.2Å; V36-S39 WeakPolarHBondContact CA-OG 3.32Å; V36-S39 PolarHBondContact O-N 2.97Å; V36-S39 PolarHBondContact O-OG 3.26Å; V36-L40 HydrophobicContact CG1-CD1 3.84Å; V36-L40 HydrophobicContact CG1-CG 4.22Å; V36-L40 WeakPolarHBondContact O-CB 3.43Å; V36-L40 WeakPolarHBondContact O-CG 3.38Å; V36-L40 PolarHBondContact O-N 3.16Å
37	V	79.5	Confident	75.6	Confident	40 Å²	40	90.9 Å²	90.9	24%	0.242	46%	0.461	C	S	.	.	H	α-helix	trans	-65.1	-46	179.2	174.2	0	0	0	0	112.3	W32 L33 S39 L40 I41	W32-V37 HydrophobicContact CD2-CG2 4.45Å; W32-V37 HydrophobicContact CE3-CG2 3.87Å; W32-V37 HydrophobicContact CH2-CG2 4.02Å; W32-V37 HydrophobicContact CZ3-CG2 3.64Å; W32-V37 PolarHBondContact O-N 3.16Å; W32-V37 VanDerWaalsContact O-N 3.08Å; L33-V37 HydrophobicContact CD2-CG2 4.07Å; V37-S39 VanDerWaalsContact C-N 3.31Å; V37-S39 PolarHBondContact O-N 3.28Å; V37-L40 PolarHBondContact O-N 2.97Å; V37-I41 HydrophobicContact CG1-CD1 3.62Å; V37-I41 HydrophobicContact CG1-CG1 4.23Å; V37-I41 WeakPolarHBondContact O-CB 3.14Å; V37-I41 VanDerWaalsContact O-CG1 3.24Å; V37-I41 WeakPolarHBondContact O-CG1 3.41Å; V37-I41 PolarHBondContact O-N 3.26Å
38	P	76.3	Confident	73.6	Confident	67 Å²	67	90 Å²	90	44%	0.435	46%	0.46	S	S	.	.	H	α-helix	trans	-64.8	-35	177.5	-25.5	38	0	0	0	112.9	L33 V34 I41 Q42	L33-P38 WeakPolarHBondContact O-CD 3.36Å; V34-P38 WeakPolarHBondContact O-CD 3.48Å; V34-P38 VanDerWaalsContact O-CG 3.3Å; V34-P38 WeakPolarHBondContact O-CG 3.43Å; P38-I41 PolarHBondContact O-N 2.81Å; P38-Q42 VanDerWaalsContact O-CB 3.3Å; P38-Q42 WeakPolarHBondContact O-CB 3.48Å; P38-Q42 PolarHBondContact O-N 2.69Å
39	S	73.4	Confident	71.6	Confident	64 Å²	64	89.1 Å²	89.1	45%	0.448	46%	0.456	S	S	.	.	H	α-helix	trans	-71.2	-36.4	176.6	47.3	0	0	0	0	112.3	N35 V36 V37 Q42 W43	N35-S39 PolarHBondContact O-OG 3.24Å; V36-S39 WeakPolarHBondContact CA-OG 3.32Å; V36-S39 PolarHBondContact O-N 2.97Å; V36-S39 PolarHBondContact O-OG 3.26Å; V37-S39 VanDerWaalsContact C-N 3.31Å; V37-S39 PolarHBondContact O-N 3.28Å; S39-Q42 PolarHBondContact O-N 3.38Å; S39-W43 WeakPolarHBondContact O-CB 3.23Å; S39-W43 PolarHBondContact O-N 3Å
40	L	73.8	Confident	69.3	Low	87 Å²	87	90.2 Å²	90.2	46%	0.455	46%	0.458	S	S	.	.	H	α-helix	trans	-68.3	-38.8	171.1	-75.5	171.4	0	0	0	112.5	V36 V37 W43 K44	V36-L40 HydrophobicContact CG1-CD1 3.84Å; V36-L40 HydrophobicContact CG1-CG 4.22Å; V36-L40 WeakPolarHBondContact O-CB 3.43Å; V36-L40 WeakPolarHBondContact O-CG 3.38Å; V36-L40 PolarHBondContact O-N 3.16Å; V37-L40 PolarHBondContact O-N 2.97Å; L40-W43 PolarHBondContact O-N 3.29Å; L40-K44 VanDerWaalsContact O-CB 3.3Å; L40-K44 WeakPolarHBondContact O-CB 3.44Å; L40-K44 PolarHBondContact O-N 2.84Å
41	I	72.4	Confident	67	Low	92 Å²	92	90.2 Å²	90.2	47%	0.472	46%	0.459	S	S	.	.	H	α-helix	trans	-63.2	-48.1	173.5	-70	167.7	0	0	0	109.4	V37 P38 W43 K44 I45	V37-I41 HydrophobicContact CG1-CD1 3.62Å; V37-I41 HydrophobicContact CG1-CG1 4.23Å; V37-I41 WeakPolarHBondContact O-CB 3.14Å; V37-I41 VanDerWaalsContact O-CG1 3.24Å; V37-I41 WeakPolarHBondContact O-CG1 3.41Å; V37-I41 PolarHBondContact O-N 3.26Å; P38-I41 PolarHBondContact O-N 2.81Å; I41-W43 VanDerWaalsContact C-N 3.34Å; I41-W43 PolarHBondContact O-N 2.81Å; I41-K44 PolarHBondContact O-N 3.08Å; I41-I45 HydrophobicContact CG2-CD1 3.65Å; I41-I45 HydrophobicContact CG2-CG1 4.3Å; I41-I45 WeakPolarHBondContact O-CB 3.48Å; I41-I45 VanDerWaalsContact O-CG1 3.23Å; I41-I45 WeakPolarHBondContact O-CG1 3.41Å; I41-I45 PolarHBondContact O-N 3.15Å
42	Q	67.4	Low	64.9	Low	102 Å²	102	89.2 Å²	89.2	48%	0.477	46%	0.457	S	S	.	.	H	α-helix	trans	-62.7	-41.3	177.1	-169.5	65.1	41	0	0	111.6	P38 S39 K44 I45 N46	P38-Q42 VanDerWaalsContact O-CB 3.3Å; P38-Q42 WeakPolarHBondContact O-CB 3.48Å; P38-Q42 PolarHBondContact O-N 2.69Å; S39-Q42 PolarHBondContact O-N 3.38Å; Q42-K44 VanDerWaalsContact C-N 3.34Å; Q42-K44 PolarHBondContact O-N 2.89Å; Q42-I45 PolarHBondContact O-N 3.28Å; Q42-N46 PolarHBondContact NE2-OD1 2.69Å; Q42-N46 VanDerWaalsContact NE2-OD1 3.08Å; Q42-N46 WeakPolarHBondContact O-CB 3.26Å; Q42-N46 PolarHBondContact O-N 2.7Å; Q42-N46 PolarHBondContact O-OD1 3.26Å
43	W	68	Low	62.6	Low	144 Å²	144	87.6 Å²	87.6	55%	0.545	46%	0.456	S	S	.	.	H	α-helix	trans	-63.2	-40.9	176.1	179.9	78.9	0	0	0	111.8	S39 L40 I41 N46 Q47	S39-W43 WeakPolarHBondContact O-CB 3.23Å; S39-W43 PolarHBondContact O-N 3Å; L40-W43 PolarHBondContact O-N 3.29Å; I41-W43 VanDerWaalsContact C-N 3.34Å; I41-W43 PolarHBondContact O-N 2.81Å; W43-N46 PolarHBondContact O-N 3.1Å; W43-Q47 HydrophobicContact CD2-CG 4.43Å; W43-Q47 HydrophobicContact CH2-CG 4.33Å; W43-Q47 HydrophobicContact CZ2-CG 4.06Å; W43-Q47 VanDerWaalsContact CZ2-NE2 3.3Å; W43-Q47 PolarHBondContact O-N 2.96Å
44	K	63.3	Low	60.4	Low	139 Å²	139	86 Å²	86	60%	0.604	45%	0.452	S	S	*	.	H	α-helix	trans	-73.5	-33.9	177.1	-163.9	157.4	-174.5	175.8	0	112.6	L40 I41 Q42 Q47 V48	L40-K44 VanDerWaalsContact O-CB 3.3Å; L40-K44 WeakPolarHBondContact O-CB 3.44Å; L40-K44 PolarHBondContact O-N 2.84Å; I41-K44 PolarHBondContact O-N 3.08Å; Q42-K44 VanDerWaalsContact C-N 3.34Å; Q42-K44 PolarHBondContact O-N 2.89Å; K44-Q47 PolarHBondContact O-N 2.83Å; K44-V48 WeakPolarHBondContact O-CB 2.86Å; K44-V48 VanDerWaalsContact O-CG2 3.27Å; K44-V48 WeakPolarHBondContact O-CG2 3.4Å; K44-V48 PolarHBondContact O-N 3.11Å
45	I	59.9	Low	58.1	Low	76 Å²	76	88.1 Å²	88.1	39%	0.39	46%	0.456	S	S	.	.	H	α-helix	trans	-61.9	-46.8	168.8	-70.8	167.1	0	0	0	109.2	I41 Q42 Q47 V48 D49	I41-I45 HydrophobicContact CG2-CD1 3.65Å; I41-I45 HydrophobicContact CG2-CG1 4.3Å; I41-I45 WeakPolarHBondContact O-CB 3.48Å; I41-I45 VanDerWaalsContact O-CG1 3.23Å; I41-I45 WeakPolarHBondContact O-CG1 3.41Å; I41-I45 PolarHBondContact O-N 3.15Å; Q42-I45 PolarHBondContact O-N 3.28Å; I45-Q47 VanDerWaalsContact C-N 3.32Å; I45-Q47 PolarHBondContact O-N 3.28Å; I45-V48 PolarHBondContact O-N 3.01Å; I45-D49 WeakPolarHBondContact O-CB 3.34Å; I45-D49 PolarHBondContact O-N 3.41Å
46	N	53.3	Low	56	Low	73 Å²	73	86.2 Å²	86.2	39%	0.39	45%	0.448	S	S	.	.	H	α-helix	trans	-64.6	-34	177.3	-67.6	-1.3	0	0	0	112.3	Q42 W43 H50	Q42-N46 PolarHBondContact NE2-OD1 2.69Å; Q42-N46 VanDerWaalsContact NE2-OD1 3.08Å; Q42-N46 WeakPolarHBondContact O-CB 3.26Å; Q42-N46 PolarHBondContact O-N 2.7Å; Q42-N46 PolarHBondContact O-OD1 3.26Å; W43-N46 PolarHBondContact O-N 3.1Å; N46-H50 WeakPolarHBondContact O-CB 3.25Å; N46-H50 PolarHBondContact O-CD2 3.39Å; N46-H50 PolarHBondContact O-N 2.94Å
47	Q	45.2	Very low	54.1	Low	82 Å²	82	87.3 Å²	87.3	38%	0.383	45%	0.451	S	S	.	.	H	α-helix	trans	-71.2	-43.1	172.4	-82.1	-147	-28.9	0	0	112.2	W43 K44 I45 D49 H50 D51	W43-Q47 HydrophobicContact CD2-CG 4.43Å; W43-Q47 HydrophobicContact CH2-CG 4.33Å; W43-Q47 HydrophobicContact CZ2-CG 4.06Å; W43-Q47 VanDerWaalsContact CZ2-NE2 3.3Å; W43-Q47 PolarHBondContact O-N 2.96Å; K44-Q47 PolarHBondContact O-N 2.83Å; I45-Q47 VanDerWaalsContact C-N 3.32Å; I45-Q47 PolarHBondContact O-N 3.28Å; Q47-D49 VanDerWaalsContact C-N 3.28Å; Q47-D49 PolarHBondContact O-N 3.42Å; Q47-H50 CarbonylContact O-C 3.58Å; Q47-H50 PolarHBondContact O-N 2.89Å; Q47-H50 VanDerWaalsContact O-N 3.14Å; Q47-D51 WeakPolarHBondContact O-CB 3.09Å; Q47-D51 VanDerWaalsContact O-CG 3.26Å; Q47-D51 PolarHBondContact O-N 3.45Å
48	V	48.8	Very low	51.8	Low	76 Å²	76	89.9 Å²	89.9	46%	0.461	46%	0.464	S	S	.	.	H	α-helix	trans	-63.1	-38.8	174	171.6	0	0	0	0	110.3	K44 I45 D51 T52	K44-V48 WeakPolarHBondContact O-CB 2.86Å; K44-V48 VanDerWaalsContact O-CG2 3.27Å; K44-V48 WeakPolarHBondContact O-CG2 3.4Å; K44-V48 PolarHBondContact O-N 3.11Å; I45-V48 PolarHBondContact O-N 3.01Å; V48-D51 PolarHBondContact O-N 3.38Å; V48-T52 HydrophobicContact CG1-CG2 4.2Å; V48-T52 VanDerWaalsContact O-CB 3.25Å; V48-T52 WeakPolarHBondContact O-CB 3.43Å; V48-T52 WeakPolarHBondContact O-CG2 3.25Å; V48-T52 PolarHBondContact O-N 2.96Å; V48-T52 PolarHBondContact O-OG1 2.91Å
49	D	46.8	Very low	50.1	Low	88 Å²	88	92.5 Å²	92.5	47%	0.471	48%	0.479	S	S	.	.	H	α-helix	trans	-65.1	-38	173.2	-79.3	-20	0	0	0	111.1	I45 Q47 T52 M53	I45-D49 WeakPolarHBondContact O-CB 3.34Å; I45-D49 PolarHBondContact O-N 3.41Å; Q47-D49 VanDerWaalsContact C-N 3.28Å; Q47-D49 PolarHBondContact O-N 3.42Å; D49-T52 PolarHBondContact O-OG1 3.34Å; D49-M53 WeakPolarHBondContact O-CA 3.2Å; D49-M53 WeakPolarHBondContact O-CB 3.49Å; D49-M53 VanDerWaalsContact O-CG 3.3Å; D49-M53 WeakPolarHBondContact O-CG 3.37Å; D49-M53 PolarHBondContact O-N 3.18Å
50	H	42.6	Very low	48.4	Very low	129 Å²	129	93.4 Å²	93.4	60%	0.597	48%	0.478	S	S	*	.	H	α-helix	trans	-72	-38.8	174.7	-97.7	-61.9	0	0	0	113.6	N46 Q47 M53 S54	N46-H50 WeakPolarHBondContact O-CB 3.25Å; N46-H50 PolarHBondContact O-CD2 3.39Å; N46-H50 PolarHBondContact O-N 2.94Å; Q47-H50 CarbonylContact O-C 3.58Å; Q47-H50 PolarHBondContact O-N 2.89Å; Q47-H50 VanDerWaalsContact O-N 3.14Å; H50-M53 CarbonylContact O-C 3.59Å; H50-M53 PolarHBondContact O-N 3.2Å; H50-S54 VanDerWaalsContact O-CB 3.28Å; H50-S54 WeakPolarHBondContact O-CB 3.25Å; H50-S54 PolarHBondContact O-N 2.96Å
51	D	38.6	Very low	46.6	Very low	92 Å²	92	92.1 Å²	92.1	49%	0.492	48%	0.476	S	S	.	.	H	α-helix	trans	-76	-39.8	179.8	-70.3	-19.1	0	0	0	110	Q47 V48 S54 E55	Q47-D51 WeakPolarHBondContact O-CB 3.09Å; Q47-D51 VanDerWaalsContact O-CG 3.26Å; Q47-D51 PolarHBondContact O-N 3.45Å; V48-D51 PolarHBondContact O-N 3.38Å; D51-S54 PolarHBondContact O-N 3.01Å; D51-E55 WeakPolarHBondContact O-CB 3.35Å; D51-E55 WeakPolarHBondContact O-CG 3.3Å; D51-E55 PolarHBondContact O-N 3.37Å
52	T	42.1	Very low	44.9	Very low	64 Å²	64	90.7 Å²	90.7	39%	0.393	47%	0.473	S	S	.	.	H	α-helix	trans	-71.1	-32.3	170.2	54.9	0	0	0	0	111.8	V48 D49 T56	V48-T52 HydrophobicContact CG1-CG2 4.2Å; V48-T52 VanDerWaalsContact O-CB 3.25Å; V48-T52 WeakPolarHBondContact O-CB 3.43Å; V48-T52 WeakPolarHBondContact O-CG2 3.25Å; V48-T52 PolarHBondContact O-N 2.96Å; V48-T52 PolarHBondContact O-OG1 2.91Å; D49-T52 PolarHBondContact O-OG1 3.34Å; T52-T56 WeakPolarHBondContact O-CB 3.29Å; T52-T56 PolarHBondContact O-N 3.17Å; T52-T56 PolarHBondContact O-OG1 3.1Å
53	M	38.2	Very low	43.3	Very low	96 Å²	96	93.6 Å²	93.6	47%	0.473	49%	0.493	S	S	.	.	H	α-helix	trans	-64.5	-44.9	166.5	-94.2	-179.4	61.5	0	0	110.8	D49 H50 T56 I57	D49-M53 WeakPolarHBondContact O-CA 3.2Å; D49-M53 WeakPolarHBondContact O-CB 3.49Å; D49-M53 VanDerWaalsContact O-CG 3.3Å; D49-M53 WeakPolarHBondContact O-CG 3.37Å; D49-M53 PolarHBondContact O-N 3.18Å; H50-M53 CarbonylContact O-C 3.59Å; H50-M53 PolarHBondContact O-N 3.2Å; M53-T56 PolarHBondContact O-N 3.08Å; M53-I57 HydrophobicContact CB-CD1 4.24Å; M53-I57 HydrophobicContact CE-CD1 3.83Å; M53-I57 WeakPolarHBondContact O-CA 3.31Å; M53-I57 WeakPolarHBondContact O-CB 3.43Å; M53-I57 WeakPolarHBondContact O-CD1 3.31Å; M53-I57 WeakPolarHBondContact O-CG1 3.49Å; M53-I57 PolarHBondContact O-N 2.96Å
54	S	37.4	Very low	42	Very low	55 Å²	55	92.2 Å²	92.2	39%	0.385	49%	0.494	S	S	.	.	H	α-helix	trans	-69	-41.1	-178.3	-163.3	0	0	0	0	110.6	H50 D51 I57 D58	H50-S54 VanDerWaalsContact O-CB 3.28Å; H50-S54 WeakPolarHBondContact O-CB 3.25Å; H50-S54 PolarHBondContact O-N 2.96Å; D51-S54 PolarHBondContact O-N 3.01Å; S54-I57 CarbonylContact O-C 3.51Å; S54-I57 PolarHBondContact O-N 3.05Å; S54-D58 WeakPolarHBondContact O-CA 3.47Å; S54-D58 WeakPolarHBondContact O-CB 3.41Å; S54-D58 PolarHBondContact O-N 3.29Å; S54-D58 VanDerWaalsContact O-OD2 3.14Å; S54-D58 PolarHBondContact OG-OD2 3.19Å
55	E	34	Very low	41.1	Very low	135 Å²	135	89 Å²	89	63%	0.631	49%	0.49	S	S	*	.	H	α-helix	trans	-68.5	-39	174.1	-76.7	-176.6	166	0	0	111.6	D51 D58 V59	D51-E55 WeakPolarHBondContact O-CB 3.35Å; D51-E55 WeakPolarHBondContact O-CG 3.3Å; D51-E55 PolarHBondContact O-N 3.37Å; E55-D58 PolarHBondContact O-N 2.87Å; E55-V59 VanDerWaalsContact O-CB 3.29Å; E55-V59 WeakPolarHBondContact O-CB 3.36Å; E55-V59 WeakPolarHBondContact O-CG2 3.26Å; E55-V59 PolarHBondContact O-N 2.99Å
56	T	37	Very low	40.6	Very low	58 Å²	58	87.8 Å²	87.8	36%	0.356	48%	0.483	S	S	.	.	H	α-helix	trans	-70.1	-39.2	176.3	-54.5	0	0	0	0	110.7	T52 M53 V59 L60	T52-T56 WeakPolarHBondContact O-CB 3.29Å; T52-T56 PolarHBondContact O-N 3.17Å; T52-T56 PolarHBondContact O-OG1 3.1Å; M53-T56 PolarHBondContact O-N 3.08Å; T56-V59 PolarHBondContact O-N 2.96Å; T56-L60 WeakPolarHBondContact O-CB 3.41Å; T56-L60 PolarHBondContact O-N 3.27Å
57	I	37.5	Very low	40.6	Very low	74 Å²	74	89.7 Å²	89.7	38%	0.379	50%	0.498	S	S	.	.	H	α-helix	trans	-71.1	-36.3	174.7	-70.2	167.6	0	0	0	110.2	M53 S54 V59 L60 C61	M53-I57 HydrophobicContact CB-CD1 4.24Å; M53-I57 HydrophobicContact CE-CD1 3.83Å; M53-I57 WeakPolarHBondContact O-CA 3.31Å; M53-I57 WeakPolarHBondContact O-CB 3.43Å; M53-I57 WeakPolarHBondContact O-CD1 3.31Å; M53-I57 WeakPolarHBondContact O-CG1 3.49Å; M53-I57 PolarHBondContact O-N 2.96Å; S54-I57 CarbonylContact O-C 3.51Å; S54-I57 PolarHBondContact O-N 3.05Å; I57-V59 VanDerWaalsContact C-N 3.32Å; I57-L60 CarbonylContact O-C 3.52Å; I57-L60 PolarHBondContact O-N 3.06Å; I57-C61 HydrophobicContact CG2-CB 4.01Å; I57-C61 WeakPolarHBondContact O-CA 3.47Å; I57-C61 WeakPolarHBondContact O-CB 3.25Å; I57-C61 PolarHBondContact O-N 2.94Å
58	D	32.2	Very low	41.2	Very low	94 Å²	94	92.3 Å²	92.3	50%	0.503	51%	0.514	S	S	.	.	H	α-helix	trans	-71.9	-31	175.1	-76	-30.7	0	0	0	110.1	S54 E55 S62	S54-D58 WeakPolarHBondContact O-CA 3.47Å; S54-D58 WeakPolarHBondContact O-CB 3.41Å; S54-D58 PolarHBondContact O-N 3.29Å; S54-D58 VanDerWaalsContact O-OD2 3.14Å; S54-D58 PolarHBondContact OG-OD2 3.19Å; E55-D58 PolarHBondContact O-N 2.87Å; D58-S62 WeakPolarHBondContact O-CA 3.26Å; D58-S62 WeakPolarHBondContact O-CB 3.45Å; D58-S62 PolarHBondContact O-N 3.42Å; D58-S62 PolarHBondContact O-OG 3.48Å
59	V	39.9	Very low	42.3	Very low	123 Å²	123	91.1 Å²	91.1	75%	0.745	50%	0.504	S	S	*	.	H	α-helix	trans	-74.2	-29.8	169.7	172.1	0	0	0	0	111.9	E55 T56 I57	E55-V59 VanDerWaalsContact O-CB 3.29Å; E55-V59 WeakPolarHBondContact O-CB 3.36Å; E55-V59 WeakPolarHBondContact O-CG2 3.26Å; E55-V59 PolarHBondContact O-N 2.99Å; T56-V59 PolarHBondContact O-N 2.96Å; I57-V59 VanDerWaalsContact C-N 3.32Å
60	L	38.1	Very low	44	Very low	82 Å²	82	89.4 Å²	89.4	43%	0.429	50%	0.499	S	S	.	.	H	α-helix	trans	-92.7	-24.7	-177.9	-150.4	83	0	0	0	114	T56 I57	T56-L60 WeakPolarHBondContact O-CB 3.41Å; T56-L60 PolarHBondContact O-N 3.27Å; I57-L60 CarbonylContact O-C 3.52Å; I57-L60 PolarHBondContact O-N 3.06Å
61	C	37.1	Very low	46	Very low	61 Å²	61	87.3 Å²	87.3	41%	0.412	49%	0.49	S	S	.	.	H	α-helix	trans	-126.1	1.6	-173.5	-61	0	0	0	0	113	I57 D63	I57-C61 HydrophobicContact CG2-CB 4.01Å; I57-C61 WeakPolarHBondContact O-CA 3.47Å; I57-C61 WeakPolarHBondContact O-CB 3.25Å; I57-C61 PolarHBondContact O-N 2.94Å; C61-D63 VanDerWaalsContact C-N 3.33Å; C61-D63 PolarHBondContact O-N 2.88Å
62	S	36	Very low	48.2	Very low	61 Å²	61	87.1 Å²	87.1	43%	0.427	50%	0.495	S	S	.	.			trans	-57.8	109.6	159.2	48.2	0	0	0	0	107.3	D58 I64	D58-S62 WeakPolarHBondContact O-CA 3.26Å; D58-S62 WeakPolarHBondContact O-CB 3.45Å; D58-S62 PolarHBondContact O-N 3.42Å; D58-S62 PolarHBondContact O-OG 3.48Å; S62-I64 PolarHBondContact O-N 3.31Å
63	D	33.8	Very low	50.3	Low	164 Å²	164	88 Å²	88	88%	0.877	50%	0.498	S	S	*	.			trans	-61.4	61.7	177	-76.1	-49.1	0	0	0	111.2	C61 S65	C61-D63 VanDerWaalsContact C-N 3.33Å; C61-D63 PolarHBondContact O-N 2.88Å; D63-S65 VanDerWaalsContact C-N 3.33Å; D63-S65 PolarHBondContact O-N 3.06Å
64	I	41	Very low	52.6	Low	114 Å²	114	83.7 Å²	83.7	59%	0.585	48%	0.476	S	S	*	.			trans	-77.6	92.9	168.9	-57.7	174.4	0	0	0	105.8	S62 I66	S62-I64 PolarHBondContact O-N 3.31Å; I64-I66 PolarHBondContact O-N 3.38Å
65	S	43.2	Very low	54.9	Low	73 Å²	73	81.6 Å²	81.6	51%	0.51	46%	0.463	S	S	.	.			trans	0.7	85.1	164	64.5	0	0	0	0	113.7	D63 T67	D63-S65 VanDerWaalsContact C-N 3.33Å; D63-S65 PolarHBondContact O-N 3.06Å; S65-T67 PolarHBondContact O-N 2.52Å
66	I	50	Low	57.4	Low	49 Å²	49	77.8 Å²	77.8	25%	0.251	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	0.3	-176.5	-42.3	176.3	0	0	0	110.8	I64 L99 K106	I64-I66 PolarHBondContact O-N 3.38Å; I66-L99 HydrophobicContact CD1-CD1 3.91Å; I66-K106 VanDerWaalsContact CB-NZ 3.27Å; I66-K106 HydrophobicContact CG2-CD 4.02Å; I66-K106 WeakPolarHBondContact O-CE 3.45Å; I66-K106 PolarHBondContact O-NZ 3.44Å
67	T	53.2	Low	59.7	Low	114 Å²	114	77 Å²	77	70%	0.699	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-20.8	-177.7	55.6	0	0	0	0	113.7	S65	S65-T67 PolarHBondContact O-N 2.52Å
68	N	58.7	Low	61.9	Low	136 Å²	136	73.5 Å²	73.5	73%	0.727	43%	0.426	S	S	*	.	S	Bend	trans	-121	15.9	-170	-68.6	-0.4	0	0	0	114.8
69	Q	71.3	Confident	64.3	Low	51 Å²	51	73 Å²	73	24%	0.238	42%	0.42	C	S	.	.			trans	-72	132.8	178	-69.4	-175.6	-20.9	0	0	110.6	D73 L74	Q69-D73 HydrophobicContact CB-CB 4.38Å; Q69-L74 HydrophobicContact CB-CD1 4.46Å; Q69-L74 HydrophobicContact CB-CD2 4.17Å; Q69-L74 HydrophobicContact CB-CG 3.9Å
70	S	82.8	Confident	66.3	Low	53 Å²	53	73.8 Å²	73.8	37%	0.371	41%	0.414	S	S	.	.			trans	-69.2	159	173.8	73.8	0	0	0	0	110.6	S72 D73 L74	S70-S72 PolarHBondContact O-N 2.92Å; S70-D73 WeakPolarHBondContact CB-OD2 3.39Å; S70-D73 PolarHBondContact N-OD2 2.92Å; S70-D73 PolarHBondContact O-N 3.02Å; S70-D73 PolarHBondContact OG-N 3Å; S70-D73 PolarHBondContact OG-OD2 2.91Å; S70-L74 PolarHBondContact O-N 3.43Å
71	E	83.9	Confident	68.1	Low	85 Å²	85	72.3 Å²	72.3	40%	0.397	41%	0.406	S	S	.	.	H	α-helix	trans	-50.9	-43.4	173.1	176.7	171.3	135.3	0	0	112	D73 L74 A75 L107 S110	E71-D73 VanDerWaalsContact C-N 3.34Å; E71-D73 PolarHBondContact O-N 2.73Å; E71-L74 PolarHBondContact O-N 3.13Å; E71-A75 VanDerWaalsContact O-CB 3.27Å; E71-A75 WeakPolarHBondContact O-CB 3.5Å; E71-A75 PolarHBondContact O-N 3.1Å; E71-L107 HydrophobicContact CG-CD1 3.8Å; E71-S110 WeakPolarHBondContact CB-OG 3.47Å; E71-S110 VanDerWaalsContact CG-OG 3.3Å; E71-S110 WeakPolarHBondContact CG-OG 3.25Å; E71-S110 PolarHBondContact OE2-OG 2.93Å
72	S	84.1	Confident	69.9	Low	88 Å²	88	69.7 Å²	69.7	62%	0.615	39%	0.387	S	S	*	.	H	α-helix	trans	-62.7	-39	178.6	179.4	0	0	0	0	112.3	S70 S76	S70-S72 PolarHBondContact O-N 2.92Å; S72-S76 WeakPolarHBondContact O-CB 3.36Å; S72-S76 PolarHBondContact O-N 3.07Å
73	D	87.9	Confident	71.4	Confident	83 Å²	83	67.8 Å²	67.8	44%	0.444	37%	0.374	S	S	.	.	H	α-helix	trans	-69.5	-46	178.2	-60.9	-42.4	0	0	0	111	Q69 S70 E71 S76 I77	Q69-D73 HydrophobicContact CB-CB 4.38Å; S70-D73 WeakPolarHBondContact CB-OD2 3.39Å; S70-D73 PolarHBondContact N-OD2 2.92Å; S70-D73 PolarHBondContact O-N 3.02Å; S70-D73 PolarHBondContact OG-N 3Å; S70-D73 PolarHBondContact OG-OD2 2.91Å; E71-D73 VanDerWaalsContact C-N 3.34Å; E71-D73 PolarHBondContact O-N 2.73Å; D73-S76 PolarHBondContact O-N 2.92Å; D73-I77 VanDerWaalsContact O-CG1 3.31Å; D73-I77 WeakPolarHBondContact O-CG1 3.47Å; D73-I77 PolarHBondContact O-N 3.43Å
74	L	86.1	Confident	72.4	Confident	4 Å²	4	63 Å²	63	2%	0.021	35%	0.352	C	S	.	.	H	α-helix	trans	-59.4	-48	176.3	-75.1	168.1	0	0	0	111	Q69 S70 E71 S76 I77 L78 R103 K106 L107	Q69-L74 HydrophobicContact CB-CD1 4.46Å; Q69-L74 HydrophobicContact CB-CD2 4.17Å; Q69-L74 HydrophobicContact CB-CG 3.9Å; S70-L74 PolarHBondContact O-N 3.43Å; E71-L74 PolarHBondContact O-N 3.13Å; L74-S76 VanDerWaalsContact C-N 3.33Å; L74-S76 PolarHBondContact O-N 3.06Å; L74-I77 PolarHBondContact O-N 3Å; L74-L78 WeakPolarHBondContact O-CB 3.48Å; L74-L78 WeakPolarHBondContact O-CG 3.44Å; L74-L78 PolarHBondContact O-N 2.85Å; L74-R103 HydrophobicContact CD2-CB 4.23Å; L74-R103 HydrophobicContact CD2-CG 4.18Å; L74-K106 HydrophobicContact CD1-CB 3.8Å; L74-L107 HydrophobicContact CB-CB 4.43Å
75	A	85.6	Confident	72.4	Confident	12 Å²	12	64.8 Å²	64.8	10%	0.099	36%	0.361	C	S	.	.	H	α-helix	trans	-60.3	-40.8	177	0	0	0	0	0	112	E71 H79 A408 F409	E71-A75 VanDerWaalsContact O-CB 3.27Å; E71-A75 WeakPolarHBondContact O-CB 3.5Å; E71-A75 PolarHBondContact O-N 3.1Å; A75-H79 WeakPolarHBondContact O-CB 3.24Å; A75-H79 PolarHBondContact O-N 2.89Å; A75-A408 WeakPolarHBondContact CB-O 3.44Å; A75-F409 HydrophobicContact CB-CB 4.42Å; A75-F409 WeakPolarHBondContact O-CB 3.3Å
76	S	86.3	Confident	72.2	Confident	55 Å²	55	65.5 Å²	65.5	39%	0.385	37%	0.366	S	S	.	.	H	α-helix	trans	-65.5	-41.6	176.7	-170.1	0	0	0	0	112.7	S72 D73 L74 K80	S72-S76 WeakPolarHBondContact O-CB 3.36Å; S72-S76 PolarHBondContact O-N 3.07Å; D73-S76 PolarHBondContact O-N 2.92Å; L74-S76 VanDerWaalsContact C-N 3.33Å; L74-S76 PolarHBondContact O-N 3.06Å; S76-K80 WeakPolarHBondContact O-CG 3.44Å; S76-K80 PolarHBondContact O-N 2.87Å; S76-K80 VanDerWaalsContact O-N 3.1Å
77	I	85.2	Confident	71.6	Confident	41 Å²	41	71.5 Å²	71.5	21%	0.21	39%	0.391	C	S	.	.	H	α-helix	trans	-64.8	-50.8	176.9	-69.2	166	0	0	0	110.1	D73 L74 H79 K80 I81	D73-I77 VanDerWaalsContact O-CG1 3.31Å; D73-I77 WeakPolarHBondContact O-CG1 3.47Å; D73-I77 PolarHBondContact O-N 3.43Å; L74-I77 PolarHBondContact O-N 3Å; I77-H79 VanDerWaalsContact C-N 3.3Å; I77-H79 PolarHBondContact O-N 3.48Å; I77-K80 WeakPolarHBondContact O-CB 3.44Å; I77-K80 PolarHBondContact O-N 3.13Å; I77-I81 HydrophobicContact CG2-CD1 3.68Å; I77-I81 WeakPolarHBondContact O-CG1 3.4Å; I77-I81 PolarHBondContact O-N 3.08Å
78	L	83.9	Confident	70.7	Confident	0 Å²	0	73 Å²	73	0%	0	40%	0.4	C	S	.	.	H	α-helix	trans	-61.7	-39.3	178.3	-70.6	164.7	0	0	0	111.1	L74 K80 I81 Y82 R103 L104 L107 F409	L74-L78 WeakPolarHBondContact O-CB 3.48Å; L74-L78 WeakPolarHBondContact O-CG 3.44Å; L74-L78 PolarHBondContact O-N 2.85Å; L78-K80 VanDerWaalsContact C-N 3.3Å; L78-K80 PolarHBondContact O-N 3Å; L78-I81 PolarHBondContact O-N 3.31Å; L78-Y82 HydrophobicContact CB-CD2 4.36Å; L78-Y82 HydrophobicContact CD2-CD2 4.35Å; L78-Y82 HydrophobicContact CD2-CE2 3.83Å; L78-Y82 VanDerWaalsContact O-CD2 3.32Å; L78-Y82 WeakPolarHBondContact O-CD2 3.39Å; L78-Y82 PolarHBondContact O-N 2.97Å; L78-R103 HydrophobicContact CD1-CB 4.48Å; L78-R103 HydrophobicContact CD2-CB 4.06Å; L78-R103 HydrophobicContact CG-CB 4.43Å; L78-L104 HydrophobicContact CD1-CD2 4.04Å; L78-L104 HydrophobicContact CD2-CD2 4.07Å; L78-L104 HydrophobicContact CD2-CG 4.18Å; L78-L107 HydrophobicContact CD1-CB 4.19Å; L78-L107 HydrophobicContact CD1-CD2 3.45Å; L78-L107 VanDerWaalsContact CD1-CD2 3.45Å; L78-L107 HydrophobicContact CD1-CG 4.45Å; L78-F409 HydrophobicContact CB-CB 4.05Å; L78-F409 HydrophobicContact CB-CD1 4.02Å; L78-F409 HydrophobicContact CB-CG 4.02Å; L78-F409 HydrophobicContact CD1-CD1 4.31Å
79	H	82.8	Confident	69.5	Low	83 Å²	83	69.8 Å²	69.8	38%	0.384	39%	0.388	S	S	.	.	H	α-helix	trans	-57.8	-42.9	173.2	-178.1	73.6	0	0	0	111.4	A75 I77 I81 S83 F409	A75-H79 WeakPolarHBondContact O-CB 3.24Å; A75-H79 PolarHBondContact O-N 2.89Å; I77-H79 VanDerWaalsContact C-N 3.3Å; I77-H79 PolarHBondContact O-N 3.48Å; H79-I81 VanDerWaalsContact C-N 3.34Å; H79-I81 PolarHBondContact O-N 3.41Å; H79-S83 WeakPolarHBondContact O-CA 3.4Å; H79-S83 WeakPolarHBondContact O-CB 3.48Å; H79-S83 PolarHBondContact O-N 2.87Å; H79-F409 HydrophobicContact CB-CB 4.26Å; H79-F409 WeakPolarHBondContact CB-O 3.4Å; H79-F409 PolarHBondContact ND1-O 2.8Å
80	K	80.6	Confident	67.8	Low	140 Å²	140	71.6 Å²	71.6	61%	0.609	40%	0.402	S	S	*	.	H	α-helix	trans	-67.7	-33.8	177.9	-70.8	171.1	-173.3	172.9	0	113.1	S76 I77 L78	S76-K80 WeakPolarHBondContact O-CG 3.44Å; S76-K80 PolarHBondContact O-N 2.87Å; S76-K80 VanDerWaalsContact O-N 3.1Å; I77-K80 WeakPolarHBondContact O-CB 3.44Å; I77-K80 PolarHBondContact O-N 3.13Å; L78-K80 VanDerWaalsContact C-N 3.3Å; L78-K80 PolarHBondContact O-N 3Å
81	I	76.4	Confident	65.6	Low	51 Å²	51	72 Å²	72	26%	0.262	40%	0.398	S	S	.	.	H	α-helix	trans	-76.2	-45.4	-177.4	-68.8	170	0	0	0	111.1	I77 L78 H79 L95 E100	I77-I81 HydrophobicContact CG2-CD1 3.68Å; I77-I81 WeakPolarHBondContact O-CG1 3.4Å; I77-I81 PolarHBondContact O-N 3.08Å; L78-I81 PolarHBondContact O-N 3.31Å; H79-I81 VanDerWaalsContact C-N 3.34Å; H79-I81 PolarHBondContact O-N 3.41Å; I81-L95 HydrophobicContact CG2-CD2 3.72Å; I81-E100 WeakPolarHBondContact CD1-OE1 3.3Å; I81-E100 WeakPolarHBondContact CD1-OE2 3.34Å; I81-E100 HydrophobicContact CG2-CG 4.5Å
82	Y	75.2	Confident	63.2	Low	6 Å²	6	76.5 Å²	76.5	2%	0.024	42%	0.417	C	S	.	.	H	α-helix	trans	-79.5	-38	177.6	-72.3	-75.5	0	0	0	111.1	L78 F198 T207 F409 Y412	L78-Y82 HydrophobicContact CB-CD2 4.36Å; L78-Y82 HydrophobicContact CD2-CD2 4.35Å; L78-Y82 HydrophobicContact CD2-CE2 3.83Å; L78-Y82 VanDerWaalsContact O-CD2 3.32Å; L78-Y82 WeakPolarHBondContact O-CD2 3.39Å; L78-Y82 PolarHBondContact O-N 2.97Å; Y82-F198 HydrophobicContact CD1-CE1 4.21Å; Y82-F198 HydrophobicContact CE1-CE1 4.31Å; Y82-T207 HydrophobicContact CD1-CG2 4.4Å; Y82-T207 HydrophobicContact CE1-CG2 3.66Å; Y82-F409 HydrophobicContact CD2-CD2 4.42Å; Y82-F409 AromaticContact CD2-CE2 3.84Å; Y82-F409 HydrophobicContact CD2-CE2 3.84Å; Y82-F409 AromaticContact CD2-CZ 3.95Å; Y82-F409 HydrophobicContact CD2-CZ 3.95Å; Y82-F409 HydrophobicContact CE2-CZ 4.28Å; Y82-F409 HydrophobicContact CG-CE2 4Å; Y82-F409 HydrophobicContact CG-CZ 4.38Å; Y82-Y412 HydrophobicContact CD1-CD1 4.03Å; Y82-Y412 AromaticContact CD1-CE1 3.9Å; Y82-Y412 HydrophobicContact CD1-CE1 3.9Å; Y82-Y412 WeakPolarHBondContact O-CD2 3.31Å; Y82-Y412 WeakPolarHBondContact O-CE2 3.31Å
83	S	68	Low	60.9	Low	21 Å²	21	78.9 Å²	78.9	15%	0.147	41%	0.413	C	S	.	.	S	Bend	trans	-58	131.1	-175.5	-176.6	0	0	0	0	112.5	H79 I85	H79-S83 WeakPolarHBondContact O-CA 3.4Å; H79-S83 WeakPolarHBondContact O-CB 3.48Å; H79-S83 PolarHBondContact O-N 2.87Å; S83-I85 PolarHBondContact O-N 3.2Å
84	P	54	Low	58.4	Low	64 Å²	64	78.3 Å²	78.3	42%	0.416	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-2.1	-174.5	12	-15.9	0	0	0	115.2	S86 P415	P84-S86 PolarHBondContact O-N 3.16Å; P84-P415 HydrophobicContact CB-CG 3.91Å
85	I	42	Very low	56.1	Low	151 Å²	151	80 Å²	80	77%	0.774	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-12	-167.8	-61.6	177.6	0	0	0	113.1	S83 K87	S83-I85 PolarHBondContact O-N 3.2Å; I85-K87 PolarHBondContact O-N 2.88Å; I85-K87 VanDerWaalsContact O-N 3.13Å
86	S	39.1	Very low	54.2	Low	88 Å²	88	88.6 Å²	88.6	62%	0.615	45%	0.453	S	S	*	.	S	Bend	trans	-87.1	86.8	172.8	77.2	0	0	0	0	112.9	P84	P84-S86 PolarHBondContact O-N 3.16Å
87	K	36.3	Very low	52.4	Low	176 Å²	176	88.1 Å²	88.1	77%	0.765	44%	0.443	S	S	*	.			trans	54.8	106.3	147.4	-64.5	-178.3	179.9	177.2	0	118.8	I85 S89	I85-K87 PolarHBondContact O-N 2.88Å; I85-K87 VanDerWaalsContact O-N 3.13Å; K87-S89 PolarHBondContact O-N 2.89Å
88	T	34.1	Very low	51.2	Low	145 Å²	145	90.3 Å²	90.3	89%	0.89	46%	0.463	S	S	*	.	S	Bend		35.8	58.5	129.1	55.2	0	0	0	0	117.6
89	S	35	Very low	49.9	Very low	69 Å²	69	92.6 Å²	92.6	48%	0.483	47%	0.474	S	S	.	.	S	Bend	trans	-175	130.3	144.4	50.1	0	0	0	0	104.1	K87 Q91	K87-S89 PolarHBondContact O-N 2.89Å; S89-Q91 PolarHBondContact O-N 2.62Å
90	V	35.4	Very low	49.5	Very low	88 Å²	88	89.1 Å²	89.1	53%	0.533	46%	0.459	S	S	.	.	S	Bend	trans	-43.7	119.8	157.3	169.4	0	0	0	0	106.2	K92 D205	V90-K92 PolarHBondContact O-N 3.43Å; V90-K92 VanDerWaalsContact O-N 3.08Å; V90-D205 HydrophobicContact CG1-CB 4.38Å; V90-D205 WeakPolarHBondContact CG1-OD2 3.49Å
91	Q	36.7	Very low	49.5	Very low	63 Å²	63	85 Å²	85	29%	0.294	44%	0.442	S	S	.	.			trans	-18.9	101.9	-167	-74.3	128.9	-63.7	0	0	114.5	S89 Y93 D205	S89-Q91 PolarHBondContact O-N 2.62Å; Q91-Y93 WeakPolarHBondContact CB-O 3.48Å; Q91-Y93 PolarHBondContact O-N 3.2Å; Q91-D205 HydrophobicContact CB-CB 3.75Å; Q91-D205 PolarHBondContact NE2-O 2.93Å; Q91-D205 PolarHBondContact OE1-O 3.04Å
92	K	33.3	Very low	50	Low	179 Å²	179	85.2 Å²	85.2	78%	0.778	44%	0.443	S	S	*	.	S	Bend	trans	-74.3	-5.7	166.6	-135.7	-176.7	-175.8	-171.1	0	112.7	V90	V90-K92 PolarHBondContact O-N 3.43Å; V90-K92 VanDerWaalsContact O-N 3.08Å
93	Y	35.2	Very low	50.6	Low	138 Å²	138	86.2 Å²	86.2	54%	0.541	45%	0.447	S	S	.	.	S	Bend	trans	-107.2	115.7	171.5	-56.9	-77.8	0	0	0	106.9	Q91 L95	Q91-Y93 WeakPolarHBondContact CB-O 3.48Å; Q91-Y93 PolarHBondContact O-N 3.2Å; Y93-L95 PolarHBondContact O-N 3.08Å
94	P	34.6	Very low	51.6	Low	71 Å²	71	85.3 Å²	85.3	46%	0.461	44%	0.44	S	S	.	.			trans	-52.8	117.1	153.4	23.1	-28.8	0	0	0	104.3	R96 L204	P94-R96 VanDerWaalsContact C-N 3.32Å; P94-R96 PolarHBondContact O-N 3.32Å; P94-L204 HydrophobicContact CB-CB 4.33Å
95	L	38.7	Very low	53.4	Low	39 Å²	39	84.5 Å²	84.5	20%	0.204	43%	0.431	C	S	.	.			trans	-48.5	111.8	166.1	-76.5	161.9	0	0	0	103.7	I81 Y93 F97 E100	I81-L95 HydrophobicContact CG2-CD2 3.72Å; Y93-L95 PolarHBondContact O-N 3.08Å; L95-F97 PolarHBondContact O-N 3.33Å; L95-E100 HydrophobicContact CD2-CG 4.22Å
96	R	44.9	Very low	55.8	Low	193 Å²	193	80.1 Å²	80.1	73%	0.728	41%	0.406	S	S	*	.			trans	-68.4	91.3	174.8	-85.8	-170.5	177.9	-177.7	1	104	P94 S98 L99 E100	P94-R96 VanDerWaalsContact C-N 3.32Å; P94-R96 PolarHBondContact O-N 3.32Å; R96-S98 PolarHBondContact O-N 3.32Å; R96-L99 PolarHBondContact O-N 3.49Å; R96-E100 PolarHBondContact O-N 3.09Å
97	F	50	Low	58.2	Low	44 Å²	44	75.9 Å²	75.9	19%	0.193	38%	0.377	C	S	.	.	H	α-helix	trans	-52.4	-34.2	-168.1	-168.3	-95.9	0	0	0	110.1	L95 L99 E100 E101 I208 A398	L95-F97 PolarHBondContact O-N 3.33Å; F97-L99 PolarHBondContact O-N 2.71Å; F97-E100 PolarHBondContact O-N 3.5Å; F97-E101 HydrophobicContact CD1-CB 4.17Å; F97-E101 WeakPolarHBondContact CD1-OE2 3.32Å; F97-E101 HydrophobicContact CE1-CB 3.94Å; F97-E101 VanDerWaalsContact CE1-CD 3.44Å; F97-E101 HydrophobicContact CE1-CG 4.05Å; F97-E101 WeakPolarHBondContact CE1-OE2 3.46Å; F97-E101 HydrophobicContact CZ-CB 4.41Å; F97-E101 WeakPolarHBondContact O-CA 3.37Å; F97-E101 WeakPolarHBondContact O-CB 3.41Å; F97-E101 PolarHBondContact O-N 2.92Å; F97-I208 HydrophobicContact CE2-CG1 4.22Å; F97-I208 HydrophobicContact CE2-CG2 4.4Å; F97-A398 HydrophobicContact CE1-CB 4.06Å; F97-A398 HydrophobicContact CE2-CB 3.97Å; F97-A398 HydrophobicContact CZ-CB 3.24Å
98	S	58.5	Low	60.9	Low	88 Å²	88	68.1 Å²	68.1	62%	0.615	34%	0.343	S	S	*	.	H	α-helix	trans	-59.3	-38	175.5	59.4	0	0	0	0	116.1	R96 N102	R96-S98 PolarHBondContact O-N 3.32Å; S98-N102 PolarHBondContact O-N 2.95Å
99	L	58.3	Low	63.7	Low	47 Å²	47	65.2 Å²	65.2	25%	0.246	32%	0.322	C	S	.	.	H	α-helix	trans	-75.3	-43.3	179	-178.7	64.3	0	0	0	110.9	I66 R96 F97 N102 R103	I66-L99 HydrophobicContact CD1-CD1 3.91Å; R96-L99 PolarHBondContact O-N 3.49Å; F97-L99 PolarHBondContact O-N 2.71Å; L99-N102 PolarHBondContact O-N 2.87Å; L99-R103 PolarHBondContact O-N 3.23Å
100	E	73.4	Confident	66.4	Low	11 Å²	11	64.2 Å²	64.2	5%	0.051	32%	0.315	C	S	.	.	H	α-helix	trans	-72.8	-35	179.9	-60.1	-48.2	135.8	0	0	112.1	I81 L95 R96 F97 R103 L104	I81-E100 WeakPolarHBondContact CD1-OE1 3.3Å; I81-E100 WeakPolarHBondContact CD1-OE2 3.34Å; I81-E100 HydrophobicContact CG2-CG 4.5Å; L95-E100 HydrophobicContact CD2-CG 4.22Å; R96-E100 PolarHBondContact O-N 3.09Å; F97-E100 PolarHBondContact O-N 3.5Å; E100-R103 PolarHBondContact O-N 3.32Å; E100-R103 IonicContact OE1-CZ 3.49Å; E100-R103 IonicContact OE1-NH1 2.76Å; E100-R103 PolarHBondContact OE1-NH1 2.93Å; E100-R103 IonicContact OE2-NH1 3.88Å; E100-L104 WeakPolarHBondContact O-CB 3.43Å; E100-L104 VanDerWaalsContact O-CG 3.29Å; E100-L104 WeakPolarHBondContact O-CG 3.07Å; E100-L104 PolarHBondContact O-N 3.4Å
101	E	80.7	Confident	68.9	Low	54 Å²	54	63 Å²	63	25%	0.252	31%	0.305	S	S	.	.	H	α-helix	trans	-59.5	-46.3	170.8	-176.8	169.4	-148.8	0	0	110.3	F97 R103 L104 E105 L401	F97-E101 HydrophobicContact CD1-CB 4.17Å; F97-E101 WeakPolarHBondContact CD1-OE2 3.32Å; F97-E101 HydrophobicContact CE1-CB 3.94Å; F97-E101 VanDerWaalsContact CE1-CD 3.44Å; F97-E101 HydrophobicContact CE1-CG 4.05Å; F97-E101 WeakPolarHBondContact CE1-OE2 3.46Å; F97-E101 HydrophobicContact CZ-CB 4.41Å; F97-E101 WeakPolarHBondContact O-CA 3.37Å; F97-E101 WeakPolarHBondContact O-CB 3.41Å; F97-E101 PolarHBondContact O-N 2.92Å; E101-R103 VanDerWaalsContact C-N 3.3Å; E101-R103 PolarHBondContact O-N 3.48Å; E101-L104 CarbonylContact O-C 3.59Å; E101-L104 PolarHBondContact O-N 3.26Å; E101-L104 VanDerWaalsContact O-N 3.14Å; E101-E105 HydrophobicContact CG-CG 4.48Å; E101-E105 WeakPolarHBondContact O-CB 3.46Å; E101-E105 VanDerWaalsContact O-CG 3.3Å; E101-E105 WeakPolarHBondContact O-CG 3.34Å; E101-E105 PolarHBondContact O-N 3.41Å; E101-L401 HydrophobicContact CG-CD1 4.3Å
102	N	86.2	Confident	70.9	Confident	55 Å²	55	61.6 Å²	61.6	29%	0.294	31%	0.307	S	S	.	.	H	α-helix	trans	-61.1	-37.3	176.3	-167.5	-94.2	0	0	0	113	S98 L99 K106	S98-N102 PolarHBondContact O-N 2.95Å; L99-N102 PolarHBondContact O-N 2.87Å; N102-K106 WeakPolarHBondContact O-CG 3.27Å; N102-K106 PolarHBondContact O-N 2.87Å; N102-K106 VanDerWaalsContact O-N 3.1Å; N102-K106 WeakPolarHBondContact OD1-CE 3.27Å; N102-K106 PolarHBondContact OD1-NZ 3.47Å
103	R	87.6	Confident	72.9	Confident	27 Å²	27	61 Å²	61	10%	0.102	31%	0.309	C	S	.	.	H	α-helix	trans	-68.1	-41.7	175	-73.3	175.8	171.6	158.2	-1.3	111.8	L74 L78 L99 E100 E101 K106 L107	L74-R103 HydrophobicContact CD2-CB 4.23Å; L74-R103 HydrophobicContact CD2-CG 4.18Å; L78-R103 HydrophobicContact CD1-CB 4.48Å; L78-R103 HydrophobicContact CD2-CB 4.06Å; L78-R103 HydrophobicContact CG-CB 4.43Å; L99-R103 PolarHBondContact O-N 3.23Å; E100-R103 PolarHBondContact O-N 3.32Å; E100-R103 IonicContact OE1-CZ 3.49Å; E100-R103 IonicContact OE1-NH1 2.76Å; E100-R103 PolarHBondContact OE1-NH1 2.93Å; E100-R103 IonicContact OE2-NH1 3.88Å; E101-R103 VanDerWaalsContact C-N 3.3Å; E101-R103 PolarHBondContact O-N 3.48Å; R103-K106 PolarHBondContact O-N 3.44Å; R103-L107 WeakPolarHBondContact O-CB 3.39Å; R103-L107 PolarHBondContact O-N 2.97Å
104	L	89.5	Confident	75.1	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-64.4	-41.5	175.4	-73	171.1	0	0	0	111.7	L78 E100 E101 L107 Y108 L401 L402 T405 F409	L78-L104 HydrophobicContact CD1-CD2 4.04Å; L78-L104 HydrophobicContact CD2-CD2 4.07Å; L78-L104 HydrophobicContact CD2-CG 4.18Å; E100-L104 WeakPolarHBondContact O-CB 3.43Å; E100-L104 VanDerWaalsContact O-CG 3.29Å; E100-L104 WeakPolarHBondContact O-CG 3.07Å; E100-L104 PolarHBondContact O-N 3.4Å; E101-L104 CarbonylContact O-C 3.59Å; E101-L104 PolarHBondContact O-N 3.26Å; E101-L104 VanDerWaalsContact O-N 3.14Å; L104-L107 PolarHBondContact O-N 3.29Å; L104-Y108 WeakPolarHBondContact O-CB 3.3Å; L104-Y108 PolarHBondContact O-N 2.89Å; L104-L401 HydrophobicContact CB-CB 4.46Å; L104-L402 HydrophobicContact CD1-CD2 3.82Å; L104-L402 HydrophobicContact CD1-CG 4.26Å; L104-L402 HydrophobicContact CD2-CD2 3.94Å; L104-T405 WeakPolarHBondContact CD2-OG1 3.33Å; L104-F409 HydrophobicContact CD2-CE1 3.95Å
105	E	92.2	Very high	77.6	Confident	48 Å²	48	60.6 Å²	60.6	22%	0.224	31%	0.311	C	S	.	.	H	α-helix	trans	-60.3	-45.9	174.8	-73.7	175.9	162.3	0	0	111.5	E101 Y108 D109 H138 L401	E101-E105 HydrophobicContact CG-CG 4.48Å; E101-E105 WeakPolarHBondContact O-CB 3.46Å; E101-E105 VanDerWaalsContact O-CG 3.3Å; E101-E105 WeakPolarHBondContact O-CG 3.34Å; E101-E105 PolarHBondContact O-N 3.41Å; E105-Y108 WeakPolarHBondContact O-CB 3.43Å; E105-Y108 PolarHBondContact O-N 3.39Å; E105-D109 VanDerWaalsContact O-CG 3.23Å; E105-D109 PolarHBondContact O-N 3.48Å; E105-H138 HydrophobicContact CG-CB 4.17Å; E105-L401 HydrophobicContact CG-CD1 3.92Å; E105-L401 HydrophobicContact CG-CD2 4.17Å
106	K	91.4	Very high	80.2	Confident	58 Å²	58	63.3 Å²	63.3	25%	0.252	33%	0.329	S	S	.	.	H	α-helix	trans	-65.8	-43	177.2	-75.7	172.9	176.7	163.1	0	113.1	I66 L74 N102 R103 Y108 D109 S110	I66-K106 VanDerWaalsContact CB-NZ 3.27Å; I66-K106 HydrophobicContact CG2-CD 4.02Å; I66-K106 WeakPolarHBondContact O-CE 3.45Å; I66-K106 PolarHBondContact O-NZ 3.44Å; L74-K106 HydrophobicContact CD1-CB 3.8Å; N102-K106 WeakPolarHBondContact O-CG 3.27Å; N102-K106 PolarHBondContact O-N 2.87Å; N102-K106 VanDerWaalsContact O-N 3.1Å; N102-K106 WeakPolarHBondContact OD1-CE 3.27Å; N102-K106 PolarHBondContact OD1-NZ 3.47Å; R103-K106 PolarHBondContact O-N 3.44Å; K106-Y108 VanDerWaalsContact C-N 3.31Å; K106-D109 PolarHBondContact O-N 2.87Å; K106-S110 PolarHBondContact O-N 2.97Å
107	L	91.1	Very high	82.7	Confident	0 Å²	0	58 Å²	58	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-62.1	-43.9	174.2	176.7	59.8	0	0	0	110.1	E71 L74 L78 R103 L104 D109 S110 L111 T405 A408 F409	E71-L107 HydrophobicContact CG-CD1 3.8Å; L74-L107 HydrophobicContact CB-CB 4.43Å; L78-L107 HydrophobicContact CD1-CB 4.19Å; L78-L107 HydrophobicContact CD1-CD2 3.45Å; L78-L107 VanDerWaalsContact CD1-CD2 3.45Å; L78-L107 HydrophobicContact CD1-CG 4.45Å; R103-L107 WeakPolarHBondContact O-CB 3.39Å; R103-L107 PolarHBondContact O-N 2.97Å; L104-L107 PolarHBondContact O-N 3.29Å; L107-D109 VanDerWaalsContact C-N 3.29Å; L107-D109 PolarHBondContact O-N 3.36Å; L107-S110 PolarHBondContact O-N 3.33Å; L107-S110 VanDerWaalsContact O-N 3.13Å; L107-S110 PolarHBondContact O-OG 2.02Å; L107-L111 HydrophobicContact CD1-CG 4.34Å; L107-L111 HydrophobicContact CG-CD1 4.3Å; L107-L111 VanDerWaalsContact O-CG 3.28Å; L107-L111 WeakPolarHBondContact O-CG 3.45Å; L107-L111 PolarHBondContact O-N 2.91Å; L107-L111 VanDerWaalsContact O-N 3.17Å; L107-T405 HydrophobicContact CB-CG2 4.35Å; L107-T405 HydrophobicContact CD2-CG2 4.2Å; L107-T405 HydrophobicContact CG-CG2 4.06Å; L107-A408 HydrophobicContact CD1-CB 4.25Å; L107-A408 HydrophobicContact CD2-CB 4.24Å; L107-F409 HydrophobicContact CD2-CD1 4Å
108	Y	92.8	Very high	84.9	Confident	13 Å²	13	57 Å²	57	5%	0.051	31%	0.314	C	S	.	.	H	α-helix	trans	-56.2	-45.3	174.5	174.6	-103.1	0	0	0	111.4	L104 E105 K106 S110 L111 K115 H138 A139 L401 H404	L104-Y108 WeakPolarHBondContact O-CB 3.3Å; L104-Y108 PolarHBondContact O-N 2.89Å; E105-Y108 WeakPolarHBondContact O-CB 3.43Å; E105-Y108 PolarHBondContact O-N 3.39Å; K106-Y108 VanDerWaalsContact C-N 3.31Å; Y108-S110 VanDerWaalsContact C-N 3.31Å; Y108-S110 PolarHBondContact O-N 3.45Å; Y108-L111 PolarHBondContact O-N 3.5Å; Y108-K115 HydrophobicContact CD2-CD 4.16Å; Y108-K115 HydrophobicContact CE1-CD 4.05Å; Y108-K115 HydrophobicContact CE2-CD 3.39Å; Y108-K115 VanDerWaalsContact CE2-CE 3.41Å; Y108-K115 HydrophobicContact CE2-CG 4.47Å; Y108-K115 VanDerWaalsContact CZ-CE 3.49Å; Y108-K115 VanDerWaalsContact CZ-NZ 3.26Å; Y108-K115 WeakPolarHBondContact O-CE 3.28Å; Y108-K115 PolarHBondContact O-NZ 3.3Å; Y108-K115 VanDerWaalsContact OH-CD 3.29Å; Y108-K115 WeakPolarHBondContact OH-CD 3.35Å; Y108-H138 AromaticContact CD1-CD2 3.71Å; Y108-A139 HydrophobicContact CD1-CB 4.28Å; Y108-A139 HydrophobicContact CD2-CB 3.99Å; Y108-A139 HydrophobicContact CE1-CB 3.86Å; Y108-A139 HydrophobicContact CE2-CB 3.54Å; Y108-A139 HydrophobicContact CG-CB 4.33Å; Y108-A139 VanDerWaalsContact CZ-CB 3.45Å; Y108-L401 HydrophobicContact CD1-CD2 4.3Å; Y108-L401 HydrophobicContact CD2-CD2 4.41Å; Y108-L401 HydrophobicContact CG-CD2 3.93Å; Y108-H404 HydrophobicContact CD2-CB 3.57Å; Y108-H404 HydrophobicContact CE2-CB 3.66Å; Y108-H404 AromaticContact CE2-CD2 3.77Å; Y108-H404 AromaticContact CE2-CG 3.58Å
109	D	92.4	Very high	86.8	Confident	84 Å²	84	54.5 Å²	54.5	45%	0.449	30%	0.295	S	S	.	.	H	α-helix	trans	-66.8	-30.9	178.6	-67.4	-19.5	0	0	0	112.8	E105 K106 L107 H138	E105-D109 VanDerWaalsContact O-CG 3.23Å; E105-D109 PolarHBondContact O-N 3.48Å; K106-D109 PolarHBondContact O-N 2.87Å; L107-D109 VanDerWaalsContact C-N 3.29Å; L107-D109 PolarHBondContact O-N 3.36Å; D109-H138 VanDerWaalsContact CG-NE2 3.35Å; D109-H138 IonicContact OD1-CD2 2.82Å; D109-H138 IonicContact OD1-CE1 3.68Å; D109-H138 IonicContact OD1-NE2 3.63Å; D109-H138 PolarHBondContact OD1-NE2 3.19Å; D109-H138 IonicContact OD2-CE1 3.91Å; D109-H138 PolarHBondContact OD2-CE1 2.83Å; D109-H138 IonicContact OD2-NE2 3.54Å; D109-H138 PolarHBondContact OD2-NE2 2.93Å
110	S	91.3	Very high	88.7	Confident	48 Å²	48	52.2 Å²	52.2	34%	0.336	28%	0.283	S	S	.	.	H	α-helix	trans	-73.5	-31.4	178.4	85.6	0	0	0	0	113.7	E71 K106 L107 Y108 G112	E71-S110 WeakPolarHBondContact CB-OG 3.47Å; E71-S110 VanDerWaalsContact CG-OG 3.3Å; E71-S110 WeakPolarHBondContact CG-OG 3.25Å; E71-S110 PolarHBondContact OE2-OG 2.93Å; K106-S110 PolarHBondContact O-N 2.97Å; L107-S110 PolarHBondContact O-N 3.33Å; L107-S110 VanDerWaalsContact O-N 3.13Å; L107-S110 PolarHBondContact O-OG 2.02Å; Y108-S110 VanDerWaalsContact C-N 3.31Å; Y108-S110 PolarHBondContact O-N 3.45Å; S110-G112 PolarHBondContact O-N 3.23Å
111	L	88.1	Confident	89.8	Confident	63 Å²	63	51.7 Å²	51.7	33%	0.33	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	6.6	-176.7	-68.8	169	0	0	0	114.9	L107 Y108 T405 A408	L107-L111 HydrophobicContact CD1-CG 4.34Å; L107-L111 HydrophobicContact CG-CD1 4.3Å; L107-L111 VanDerWaalsContact O-CG 3.28Å; L107-L111 WeakPolarHBondContact O-CG 3.45Å; L107-L111 PolarHBondContact O-N 2.91Å; L107-L111 VanDerWaalsContact O-N 3.17Å; Y108-L111 PolarHBondContact O-N 3.5Å; L111-T405 HydrophobicContact CD1-CG2 4.08Å; L111-A408 HydrophobicContact CD1-CB 4.36Å; L111-A408 HydrophobicContact CD2-CB 3.96Å
112	G	79.5	Confident	90.6	Very high	33 Å²	33	50.4 Å²	50.4	34%	0.34	28%	0.275	S	S	.	.			trans	92.8	167.3	173	0	0	0	0	0	115.1	S110 K115	S110-G112 PolarHBondContact O-N 3.23Å; G112-K115 WeakPolarHBondContact O-CE 3.22Å
113	M	74.9	Confident	91	Very high	167 Å²	167	49.4 Å²	49.4	82%	0.823	27%	0.267	S	S	*	.	S	Bend	trans	-81.8	-28.5	-170.3	-63.5	-66.1	-76.2	0	0	114	K115	M113-K115 PolarHBondContact O-N 2.96Å
114	N	80.1	Confident	91.3	Very high	163 Å²	163	48.7 Å²	48.7	87%	0.872	27%	0.268	S	S	*	.			trans	-84.2	52.1	-174.3	-79.6	-7.2	0	0	0	113.2	T116	N114-T116 PolarHBondContact O-N 2.9Å
115	K	87.1	Confident	91.4	Very high	36 Å²	36	54.7 Å²	54.7	16%	0.157	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-69.1	129.2	176.5	-66.8	163.2	176.6	156.4	0	110.6	Y108 G112 M113 K141	Y108-K115 HydrophobicContact CD2-CD 4.16Å; Y108-K115 HydrophobicContact CE1-CD 4.05Å; Y108-K115 HydrophobicContact CE2-CD 3.39Å; Y108-K115 VanDerWaalsContact CE2-CE 3.41Å; Y108-K115 HydrophobicContact CE2-CG 4.47Å; Y108-K115 VanDerWaalsContact CZ-CE 3.49Å; Y108-K115 VanDerWaalsContact CZ-NZ 3.26Å; Y108-K115 WeakPolarHBondContact O-CE 3.28Å; Y108-K115 PolarHBondContact O-NZ 3.3Å; Y108-K115 VanDerWaalsContact OH-CD 3.29Å; Y108-K115 WeakPolarHBondContact OH-CD 3.35Å; G112-K115 WeakPolarHBondContact O-CE 3.22Å; M113-K115 PolarHBondContact O-N 2.96Å; K115-K141 HydrophobicContact CB-CD 3.82Å; K115-K141 WeakPolarHBondContact O-CD 3.48Å; K115-K141 WeakPolarHBondContact O-CE 3.41Å; K115-K141 PolarHBondContact O-NZ 2.83Å
116	T	93.8	Very high	91.3	Very high	97 Å²	97	58.1 Å²	58.1	60%	0.595	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-74.6	167.6	171.2	53.2	0	0	0	0	110.4	N114 H404	N114-T116 PolarHBondContact O-N 2.9Å; T116-H404 PolarHBondContact O-CE1 2.75Å
117	V	96.8	Very high	91.1	Very high	82 Å²	82	60.4 Å²	60.4	50%	0.497	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-82.7	124.9	173.2	177.4	0	0	0	0	108.7	K141 A143	V117-K141 WeakPolarHBondContact CA-O 3.34Å; V117-K141 HydrophobicContact CG2-CB 4.48Å; V117-A143 HydrophobicContact CG1-CB 4Å
118	K	97.3	Very high	91	Very high	23 Å²	23	61.8 Å²	61.8	10%	0.1	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	125.1	173.7	-68.2	-70.7	179.6	178.4	0	110.4	K141 C142 A143 D155 A403 H404	K118-K141 PolarHBondContact N-O 3.21Å; K118-C142 CarbonylContact O-C 3.4Å; K118-C142 VanDerWaalsContact O-CA 3.23Å; K118-C142 WeakPolarHBondContact O-CA 3.34Å; K118-A143 PolarHBondContact O-N 2.81Å; K118-D155 WeakPolarHBondContact CA-OD2 3.38Å; K118-D155 HydrophobicContact CB-CB 4.47Å; K118-D155 HydrophobicContact CD-CB 3.83Å; K118-D155 VanDerWaalsContact CD-CG 3.49Å; K118-D155 WeakPolarHBondContact CD-OD1 3.47Å; K118-D155 IonicContact NZ-OD1 3.05Å; K118-D155 PolarHBondContact NZ-OD1 2.72Å; K118-D155 VanDerWaalsContact NZ-OD1 3.16Å; K118-A403 HydrophobicContact CB-CB 4.22Å; K118-A403 WeakPolarHBondContact CE-O 3.3Å; K118-A403 HydrophobicContact CG-CB 4.25Å; K118-H404 VanDerWaalsContact CG-CE1 3.41Å; K118-H404 WeakPolarHBondContact CG-CE1 3.44Å; K118-H404 WeakPolarHBondContact CG-NE2 3.47Å
119	T	98.2	Very high	90.6	Very high	34 Å²	34	68 Å²	68	21%	0.209	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	113.6	-178.2	-57.5	0	0	0	0	110.2	I145 A154 D155 A156	T119-I145 HydrophobicContact CG2-CD1 3.79Å; T119-I145 HydrophobicContact CG2-CG1 3.83Å; T119-I145 HydrophobicContact CG2-CG2 4.19Å; T119-A154 CarbonylContact O-C 3.33Å; T119-D155 PolarHBondContact N-OD2 2.85Å; T119-D155 PolarHBondContact O-N 3.38Å; T119-A156 PolarHBondContact O-N 2.93Å; T119-A156 VanDerWaalsContact O-N 3.12Å
120	F	98.1	Very high	90.3	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	145.8	166.4	-72.1	-97	0	0	0	110.1	F134 C142 A143 V144 I145 A156 I158 F176 M399 A403	F120-F134 AromaticContact CD2-CZ 4Å; F120-F134 HydrophobicContact CD2-CZ 4Å; F120-F134 HydrophobicContact CE2-CE1 4.46Å; F120-F134 HydrophobicContact CE2-CZ 4.28Å; F120-C142 HydrophobicContact CD2-CB 4.13Å; F120-C142 HydrophobicContact CE2-CB 3.92Å; F120-A143 PolarHBondContact N-O 3.11Å; F120-V144 HydrophobicContact CB-CG2 4.11Å; F120-V144 CarbonylContact O-C 3.45Å; F120-V144 VanDerWaalsContact O-CA 3.31Å; F120-V144 WeakPolarHBondContact O-CA 3.33Å; F120-I145 WeakPolarHBondContact O-CG1 3.43Å; F120-I145 PolarHBondContact O-N 3.14Å; F120-A156 CarbonylContact C-O 3.56Å; F120-A156 VanDerWaalsContact CA-O 3.26Å; F120-A156 WeakPolarHBondContact CA-O 3.5Å; F120-A156 HydrophobicContact CD1-CB 3.51Å; F120-A156 HydrophobicContact CE1-CB 3.53Å; F120-A156 HydrophobicContact CG-CB 4.17Å; F120-A156 HydrophobicContact CZ-CB 4.2Å; F120-I158 HydrophobicContact CB-CD1 3.98Å; F120-I158 HydrophobicContact CB-CG1 4.36Å; F120-I158 HydrophobicContact CD1-CD1 4.11Å; F120-I158 HydrophobicContact CD1-CG1 3.9Å; F120-I158 HydrophobicContact CG-CD1 4.4Å; F120-F176 AromaticContact CE1-CD2 3.98Å; F120-F176 HydrophobicContact CE1-CD2 3.98Å; F120-F176 AromaticContact CE1-CE2 3.71Å; F120-F176 HydrophobicContact CE1-CE2 3.71Å; F120-F176 HydrophobicContact CE1-CZ 4.14Å; F120-F176 HydrophobicContact CZ-CE2 4.38Å; F120-M399 HydrophobicContact CD1-CE 3.74Å; F120-M399 HydrophobicContact CE1-CB 3.95Å; F120-M399 HydrophobicContact CE1-CE 3.72Å; F120-M399 HydrophobicContact CZ-CB 3.86Å; F120-M399 HydrophobicContact CZ-CE 4.47Å; F120-M399 WeakPolarHBondContact CZ-O 3.41Å; F120-A403 HydrophobicContact CE1-CB 4.47Å; F120-A403 HydrophobicContact CE2-CB 3.91Å; F120-A403 HydrophobicContact CZ-CB 3.52Å
121	L	97.5	Very high	90	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	123.6	170.5	-178.7	148.2	0	0	0	110.1	Y123 I145 D147 R150 W151 A154 A156 L157 I158	L121-Y123 HydrophobicContact CD2-CD2 3.61Å; L121-Y123 HydrophobicContact CD2-CG 4.2Å; L121-Y123 PolarHBondContact O-N 3.15Å; L121-I145 VanDerWaalsContact CA-O 3.31Å; L121-I145 WeakPolarHBondContact CA-O 3.47Å; L121-I145 HydrophobicContact CB-CD1 4.36Å; L121-I145 HydrophobicContact CB-CG1 3.87Å; L121-I145 HydrophobicContact CD1-CD1 3.79Å; L121-I145 HydrophobicContact CD1-CG1 3.93Å; L121-I145 HydrophobicContact CG-CD1 4.44Å; L121-I145 HydrophobicContact CG-CG1 4.06Å; L121-D147 WeakPolarHBondContact CD1-O 3.25Å; L121-R150 VanDerWaalsContact CD1-C 3.48Å; L121-R150 HydrophobicContact CD1-CB 4.13Å; L121-W151 HydrophobicContact CD1-CB 4.28Å; L121-W151 HydrophobicContact CD2-CB 4.39Å; L121-A154 HydrophobicContact CB-CB 3.63Å; L121-A154 HydrophobicContact CD1-CB 4.49Å; L121-A156 PolarHBondContact N-O 2.88Å; L121-L157 HydrophobicContact CB-CD2 3.92Å; L121-L157 HydrophobicContact CD2-CD2 4Å; L121-L157 HydrophobicContact CG-CD2 4.49Å; L121-L157 CarbonylContact O-C 3.56Å; L121-L157 WeakPolarHBondContact O-CA 3.47Å; L121-I158 PolarHBondContact O-N 2.93Å
122	N	96.2	Very high	90.2	Very high	26 Å²	26	65.8 Å²	65.8	14%	0.139	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	111.7	168.9	-177.5	10.8	0	0	0	109.1	I128 I145 T146 T160	N122-I128 HydrophobicContact CB-CD1 4.35Å; N122-I145 PolarHBondContact N-O 3.27Å; N122-T146 HydrophobicContact CB-CG2 4.48Å; N122-T160 WeakPolarHBondContact OD1-CG2 3.35Å
123	Y	95.5	Very high	90.9	Very high	34 Å²	34	67.6 Å²	67.6	13%	0.133	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	92.1	-179.1	-159.6	-88.2	0	0	0	110	L121 M148 W151 I158 L159 T160 K163 P165	L121-Y123 HydrophobicContact CD2-CD2 3.61Å; L121-Y123 HydrophobicContact CD2-CG 4.2Å; L121-Y123 PolarHBondContact O-N 3.15Å; Y123-M148 HydrophobicContact CD2-CB 4.03Å; Y123-M148 HydrophobicContact CD2-CG 3.91Å; Y123-M148 HydrophobicContact CD2-SD 4.27Å; Y123-M148 HydrophobicContact CE2-CB 3.81Å; Y123-M148 HydrophobicContact CE2-CG 4.09Å; Y123-M148 HydrophobicContact CE2-SD 4.27Å; Y123-M148 HydrophobicContact CG-CG 4.48Å; Y123-M148 HydrophobicContact CG-SD 4.45Å; Y123-W151 HydrophobicContact CD2-CB 4.24Å; Y123-W151 HydrophobicContact CE2-CB 4.21Å; Y123-I158 PolarHBondContact N-O 3.14Å; Y123-L159 HydrophobicContact CD1-CD2 4.06Å; Y123-L159 HydrophobicContact CG-CD2 4.24Å; Y123-T160 PolarHBondContact O-N 3.2Å; Y123-K163 WeakPolarHBondContact CD1-O 2.94Å; Y123-K163 HydrophobicContact CE1-CB 4.25Å; Y123-P165 HydrophobicContact CD2-CG 4.04Å; Y123-P165 HydrophobicContact CE1-CG 4.18Å; Y123-P165 HydrophobicContact CE2-CB 4.19Å; Y123-P165 HydrophobicContact CE2-CG 3.63Å; Y123-P165 HydrophobicContact CG-CG 4.49Å; Y123-P165 VanDerWaalsContact OH-CA 3.3Å; Y123-P165 WeakPolarHBondContact OH-CA 3.36Å
124	G	92.8	Very high	92	Very high	12 Å²	12	60 Å²	60	12%	0.124	32%	0.316	C	S	.	.	S	Bend	trans	152.3	175.2	178.5	0	0	0	0	0	111.8	T160 E161	G124-T160 WeakPolarHBondContact CA-OG1 3.47Å; G124-E161 VanDerWaalsContact CA-OE1 3.25Å; G124-E161 WeakPolarHBondContact CA-OE1 3.4Å
125	H	91.9	Very high	92.7	Very high	128 Å²	128	56.2 Å²	56.2	59%	0.593	30%	0.302	S	S	*	.	S	Bend	trans	-102.9	-9.1	-174.5	-55.7	76	0	0	0	112.2	E161 K163	H125-E161 IonicContact CE1-OE1 2.87Å; H125-E161 IonicContact CG-OE1 2.77Å; H125-E161 PolarHBondContact N-OE1 3.29Å; H125-E161 IonicContact ND1-OE1 3.27Å; H125-E161 PolarHBondContact ND1-OE1 2.71Å; H125-K163 PolarHBondContact ND1-NZ 2.94Å; H125-K163 VanDerWaalsContact ND1-NZ 3.2Å
126	R	90.6	Very high	93	Very high	120 Å²	120	62.7 Å²	62.7	45%	0.453	33%	0.33	S	S	.	.	S	Bend	trans	-77.8	133.5	178.5	-66.6	-162.7	179.5	-91.7	7.1	110	I128	R126-I128 PolarHBondContact O-N 3.47Å
127	T	86.9	Confident	93.1	Very high	105 Å²	105	58.6 Å²	58.6	64%	0.644	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-65	128.9	175.4	-53.2	0	0	0	0	109.6	F129	T127-F129 HydrophobicContact CG2-CD1 4.39Å; T127-F129 HydrophobicContact CG2-CE1 4.29Å
128	I	88.6	Confident	92.9	Very high	30 Å²	30	58.8 Å²	58.8	15%	0.154	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-89.5	117.1	167	-56.2	172	0	0	0	106.8	N122 R126 M132 I158 T160 L178	N122-I128 HydrophobicContact CB-CD1 4.35Å; R126-I128 PolarHBondContact O-N 3.47Å; I128-M132 HydrophobicContact CD1-CE 3.95Å; I128-M132 HydrophobicContact CG2-CE 3.6Å; I128-I158 HydrophobicContact CD1-CG2 3.8Å; I128-T160 HydrophobicContact CD1-CG2 3.67Å; I128-T160 HydrophobicContact CG1-CG2 3.59Å; I128-L178 HydrophobicContact CD1-CD1 4.41Å; I128-L178 HydrophobicContact CG2-CD1 4.05Å
129	F	85.1	Confident	92.8	Very high	143 Å²	143	57.7 Å²	57.7	63%	0.627	30%	0.296	S	S	*	.			trans	-77.6	-22.9	-176.8	-66.3	-75.5	0	0	0	113.2	T127 W391	T127-F129 HydrophobicContact CG2-CD1 4.39Å; T127-F129 HydrophobicContact CG2-CE1 4.29Å; F129-W391 HydrophobicContact CB-CZ2 4.03Å; F129-W391 HydrophobicContact CD2-CZ2 4.42Å
130	T	86	Confident	92.6	Very high	10 Å²	10	58.7 Å²	58.7	6%	0.061	30%	0.304	C	S	.	.	S	Bend	trans	-70.8	129.8	174.8	-54.6	0	0	0	0	109.9	M132 P395	T130-M132 PolarHBondContact O-N 3.3Å; T130-P395 HydrophobicContact CG2-CG 4.18Å
131	P	85	Confident	92.6	Very high	111 Å²	111	62.3 Å²	62.3	72%	0.721	32%	0.32	S	S	*	.			trans	-65.3	2.4	-169.9	21.1	-31.6	0	0	0	116.7	D133	P131-D133 PolarHBondContact O-N 2.96Å
132	M	93	Very high	92.6	Very high	27 Å²	27	63 Å²	63	13%	0.133	32%	0.324	C	S	.	.			trans	45.9	32.9	178.4	-69.4	-65.6	173.1	0	0	113.7	I128 T130 F134 V144 I158 L178 Q396 M399	I128-M132 HydrophobicContact CD1-CE 3.95Å; I128-M132 HydrophobicContact CG2-CE 3.6Å; T130-M132 PolarHBondContact O-N 3.3Å; M132-F134 WeakPolarHBondContact O-CD2 3.37Å; M132-F134 WeakPolarHBondContact O-CE2 3.5Å; M132-V144 HydrophobicContact CB-CG2 3.74Å; M132-V144 HydrophobicContact CG-CG2 4.18Å; M132-V144 HydrophobicContact SD-CG2 4.39Å; M132-I158 HydrophobicContact CE-CD1 3.99Å; M132-I158 HydrophobicContact SD-CD1 4.22Å; M132-L178 HydrophobicContact CE-CD1 3.6Å; M132-Q396 HydrophobicContact SD-CB 3.95Å; M132-M399 HydrophobicContact CE-CE 4.04Å; M132-M399 HydrophobicContact CE-SD 4.13Å; M132-M399 HydrophobicContact SD-CE 4.08Å; M132-M399 HydrophobicContact SD-SD 4.36Å
133	D	94.8	Very high	92.7	Very high	72 Å²	72	63.6 Å²	63.6	39%	0.385	33%	0.333	S	S	.	.			trans	-93.1	115.5	177.9	176.9	12.4	0	0	0	109.2	P131 S135 Q396	P131-D133 PolarHBondContact O-N 2.96Å; D133-S135 VanDerWaalsContact CG-OG 3.29Å; D133-S135 WeakPolarHBondContact OD1-CB 3.36Å; D133-S135 PolarHBondContact OD1-N 2.86Å; D133-S135 PolarHBondContact OD1-OG 3.02Å; D133-S135 PolarHBondContact OD2-OG 2.8Å; D133-Q396 WeakPolarHBondContact O-CG 3.47Å; D133-Q396 PolarHBondContact O-NE2 3.13Å
134	F	96.5	Very high	92.8	Very high	8 Å²	8	64.2 Å²	64.2	4%	0.035	34%	0.341	C	S	.	.			trans	-94.7	-4.5	-179.3	-53.3	-82.5	0	0	0	113.2	F120 M132 K136 C137 S140 C142 V144 Q396 C400	F120-F134 AromaticContact CD2-CZ 4Å; F120-F134 HydrophobicContact CD2-CZ 4Å; F120-F134 HydrophobicContact CE2-CE1 4.46Å; F120-F134 HydrophobicContact CE2-CZ 4.28Å; M132-F134 WeakPolarHBondContact O-CD2 3.37Å; M132-F134 WeakPolarHBondContact O-CE2 3.5Å; F134-K136 PolarHBondContact O-N 3.09Å; F134-K136 VanDerWaalsContact O-N 3.1Å; F134-C137 WeakPolarHBondContact O-CB 3.3Å; F134-C137 PolarHBondContact O-N 2.7Å; F134-S140 VanDerWaalsContact O-CA 3.3Å; F134-S140 WeakPolarHBondContact O-CA 3.07Å; F134-S140 WeakPolarHBondContact O-CB 3.46Å; F134-C142 HydrophobicContact CB-CB 4.4Å; F134-C142 HydrophobicContact CD1-CB 3.83Å; F134-C142 HydrophobicContact CD2-CB 3.73Å; F134-C142 WeakPolarHBondContact CD2-O 3.36Å; F134-C142 HydrophobicContact CE1-CB 3.88Å; F134-C142 HydrophobicContact CE2-CB 3.79Å; F134-C142 HydrophobicContact CG-CB 3.73Å; F134-C142 HydrophobicContact CZ-CB 3.88Å; F134-V144 HydrophobicContact CE2-CG2 3.57Å; F134-V144 HydrophobicContact CZ-CG2 3.84Å; F134-Q396 HydrophobicContact CD1-CB 3.98Å; F134-Q396 HydrophobicContact CD1-CG 4.12Å; F134-Q396 WeakPolarHBondContact CD1-O 3.48Å; F134-Q396 HydrophobicContact CE1-CB 3.63Å; F134-Q396 HydrophobicContact CE1-CG 4.27Å; F134-Q396 WeakPolarHBondContact CE1-O 3.06Å; F134-Q396 HydrophobicContact CZ-CB 4.31Å; F134-C400 HydrophobicContact CD1-CB 3.67Å; F134-C400 HydrophobicContact CE1-CB 3.94Å
135	S	95.7	Very high	92.9	Very high	83 Å²	83	65 Å²	65	58%	0.58	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-25.8	-171	63.6	0	0	0	0	114.1	D133	D133-S135 VanDerWaalsContact CG-OG 3.29Å; D133-S135 WeakPolarHBondContact OD1-CB 3.36Å; D133-S135 PolarHBondContact OD1-N 2.86Å; D133-S135 PolarHBondContact OD1-OG 3.02Å; D133-S135 PolarHBondContact OD2-OG 2.8Å
136	K	93.9	Very high	93.1	Very high	172 Å²	172	64.1 Å²	64.1	75%	0.748	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-0.7	179.7	-61.9	-179.7	-177.4	174.8	0	114	F134	F134-K136 PolarHBondContact O-N 3.09Å; F134-K136 VanDerWaalsContact O-N 3.1Å
137	C	94.4	Very high	93.3	Very high	11 Å²	11	61.8 Å²	61.8	7%	0.074	34%	0.342	C	S	.	.	S	Bend	trans	-83.7	153.3	-179.1	-59.4	0	0	0	0	111.4	F134 A139 C397	F134-C137 WeakPolarHBondContact O-CB 3.3Å; F134-C137 PolarHBondContact O-N 2.7Å; C137-A139 WeakPolarHBondContact CB-O 3.07Å; C137-A139 PolarHBondContact O-N 2.8Å; C137-C397 VanDerWaalsContact CA-SG 3.55Å; C137-C397 HydrophobicContact CB-CB 3.59Å; C137-C397 WeakPolarHBondContact CB-SG 3.17Å; C137-C397 WeakPolarHBondContact SG-CA 3.2Å; C137-C397 WeakPolarHBondContact SG-CB 3.29Å; C137-C397 CovalentContact SG-SG 2.04Å; C137-C397 PolarHBondContact SG-SG 3.15Å
138	H	93.2	Very high	93.7	Very high	85 Å²	85	59.4 Å²	59.4	39%	0.394	32%	0.324	S	S	.	.	S	Bend	trans	-56.6	-49.6	173.9	-170.6	86.4	0	0	0	111.3	E105 Y108 D109	E105-H138 HydrophobicContact CG-CB 4.17Å; Y108-H138 AromaticContact CD1-CD2 3.71Å; D109-H138 VanDerWaalsContact CG-NE2 3.35Å; D109-H138 IonicContact OD1-CD2 2.82Å; D109-H138 IonicContact OD1-CE1 3.68Å; D109-H138 IonicContact OD1-NE2 3.63Å; D109-H138 PolarHBondContact OD1-NE2 3.19Å; D109-H138 IonicContact OD2-CE1 3.91Å; D109-H138 PolarHBondContact OD2-CE1 2.83Å; D109-H138 IonicContact OD2-NE2 3.54Å; D109-H138 PolarHBondContact OD2-NE2 2.93Å
139	A	94.4	Very high	94.1	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	35%	0.352	C	S	.	.	S	Bend	trans	-90	110.6	161.6	0	0	0	0	0	109.8	Y108 C137 C400 L401	Y108-A139 HydrophobicContact CD1-CB 4.28Å; Y108-A139 HydrophobicContact CD2-CB 3.99Å; Y108-A139 HydrophobicContact CE1-CB 3.86Å; Y108-A139 HydrophobicContact CE2-CB 3.54Å; Y108-A139 HydrophobicContact CG-CB 4.33Å; Y108-A139 VanDerWaalsContact CZ-CB 3.45Å; C137-A139 WeakPolarHBondContact CB-O 3.07Å; C137-A139 PolarHBondContact O-N 2.8Å; A139-C400 HydrophobicContact CB-CB 4.19Å; A139-C400 WeakPolarHBondContact O-CB 3.44Å; A139-C400 PolarHBondContact O-SG 3.49Å; A139-L401 HydrophobicContact CB-CD2 3.73Å; A139-L401 HydrophobicContact CB-CG 3.88Å
140	S	95.6	Very high	94.6	Very high	56 Å²	56	62.9 Å²	62.9	39%	0.392	34%	0.341	S	S	.	.			trans	-112.1	-9.7	-176.1	57.7	0	0	0	0	114.6	F134 C142	F134-S140 VanDerWaalsContact O-CA 3.3Å; F134-S140 WeakPolarHBondContact O-CA 3.07Å; F134-S140 WeakPolarHBondContact O-CB 3.46Å; S140-C142 PolarHBondContact O-N 2.83Å
141	K	96.8	Very high	95.2	Very high	76 Å²	76	63.5 Å²	63.5	33%	0.33	34%	0.343	S	S	.	.			trans	-80.6	61.1	179.3	-68	-170.7	-178.6	173.5	0	111.9	K115 V117 K118 H404	K115-K141 HydrophobicContact CB-CD 3.82Å; K115-K141 WeakPolarHBondContact O-CD 3.48Å; K115-K141 WeakPolarHBondContact O-CE 3.41Å; K115-K141 PolarHBondContact O-NZ 2.83Å; V117-K141 WeakPolarHBondContact CA-O 3.34Å; V117-K141 HydrophobicContact CG2-CB 4.48Å; K118-K141 PolarHBondContact N-O 3.21Å; K141-H404 PolarHBondContact O-NE2 3.48Å
142	C	98	Very high	95.8	Very high	13 Å²	13	64.6 Å²	64.6	9%	0.088	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	151.9	173	-64.4	0	0	0	0	110.1	K118 F120 F134 S140 C400	K118-C142 CarbonylContact O-C 3.4Å; K118-C142 VanDerWaalsContact O-CA 3.23Å; K118-C142 WeakPolarHBondContact O-CA 3.34Å; F120-C142 HydrophobicContact CD2-CB 4.13Å; F120-C142 HydrophobicContact CE2-CB 3.92Å; F134-C142 HydrophobicContact CB-CB 4.4Å; F134-C142 HydrophobicContact CD1-CB 3.83Å; F134-C142 HydrophobicContact CD2-CB 3.73Å; F134-C142 WeakPolarHBondContact CD2-O 3.36Å; F134-C142 HydrophobicContact CE1-CB 3.88Å; F134-C142 HydrophobicContact CE2-CB 3.79Å; F134-C142 HydrophobicContact CG-CB 3.73Å; F134-C142 HydrophobicContact CZ-CB 3.88Å; S140-C142 PolarHBondContact O-N 2.83Å; C142-C400 HydrophobicContact CB-CB 3.84Å; C142-C400 WeakPolarHBondContact CB-SG 3.37Å; C142-C400 WeakPolarHBondContact SG-CA 3.01Å; C142-C400 WeakPolarHBondContact SG-CB 3.44Å; C142-C400 CovalentContact SG-SG 2.03Å; C142-C400 PolarHBondContact SG-SG 3.33Å
143	A	97.7	Very high	95.9	Very high	40 Å²	40	68.4 Å²	68.4	33%	0.331	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	154.6	176.1	0	0	0	0	0	109.7	V117 K118 F120	V117-A143 HydrophobicContact CG1-CB 4Å; K118-A143 PolarHBondContact O-N 2.81Å; F120-A143 PolarHBondContact N-O 3.11Å
144	V	97.2	Very high	96.1	Very high	47 Å²	47	65.2 Å²	65.2	29%	0.285	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	134.5	175.2	-172.9	0	0	0	0	110.5	F120 M132 F134	F120-V144 HydrophobicContact CB-CG2 4.11Å; F120-V144 CarbonylContact O-C 3.45Å; F120-V144 VanDerWaalsContact O-CA 3.31Å; F120-V144 WeakPolarHBondContact O-CA 3.33Å; M132-V144 HydrophobicContact CB-CG2 3.74Å; M132-V144 HydrophobicContact CG-CG2 4.18Å; M132-V144 HydrophobicContact SD-CG2 4.39Å; F134-V144 HydrophobicContact CE2-CG2 3.57Å; F134-V144 HydrophobicContact CZ-CG2 3.84Å
145	I	96.6	Very high	96.1	Very high	28 Å²	28	67.2 Å²	67.2	14%	0.144	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	157.8	167.1	61.4	171.5	0	0	0	110.2	T119 F120 L121 N122 R150	T119-I145 HydrophobicContact CG2-CD1 3.79Å; T119-I145 HydrophobicContact CG2-CG1 3.83Å; T119-I145 HydrophobicContact CG2-CG2 4.19Å; F120-I145 WeakPolarHBondContact O-CG1 3.43Å; F120-I145 PolarHBondContact O-N 3.14Å; L121-I145 VanDerWaalsContact CA-O 3.31Å; L121-I145 WeakPolarHBondContact CA-O 3.47Å; L121-I145 HydrophobicContact CB-CD1 4.36Å; L121-I145 HydrophobicContact CB-CG1 3.87Å; L121-I145 HydrophobicContact CD1-CD1 3.79Å; L121-I145 HydrophobicContact CD1-CG1 3.93Å; L121-I145 HydrophobicContact CG-CD1 4.44Å; L121-I145 HydrophobicContact CG-CG1 4.06Å; N122-I145 PolarHBondContact N-O 3.27Å; I145-R150 HydrophobicContact CD1-CB 3.89Å
146	T	94.7	Very high	96.2	Very high	109 Å²	109	63.3 Å²	63.3	67%	0.669	32%	0.317	S	S	*	.			trans	-122.1	-8	-174.9	57.6	0	0	0	0	114.1	N122 M148	N122-T146 HydrophobicContact CB-CG2 4.48Å; T146-M148 PolarHBondContact O-N 3.49Å; T146-M148 VanDerWaalsContact O-N 3.1Å
147	D	96	Very high	96.4	Very high	71 Å²	71	55.1 Å²	55.1	38%	0.38	28%	0.282	S	S	.	.			trans	-74.5	101.3	175.6	177.2	8.4	0	0	0	110	L121 N149 R150	L121-D147 WeakPolarHBondContact CD1-O 3.25Å; D147-N149 PolarHBondContact O-N 3.26Å; D147-N149 WeakPolarHBondContact OD1-CB 3.28Å; D147-N149 PolarHBondContact OD1-N 2.91Å; D147-N149 PolarHBondContact OD1-ND2 3.17Å; D147-R150 HydrophobicContact CB-CG 4.34Å; D147-R150 WeakPolarHBondContact O-CB 3.32Å; D147-R150 PolarHBondContact O-N 3.48Å
148	M	95.5	Very high	96.5	Very high	55 Å²	55	54.6 Å²	54.6	27%	0.271	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-58.6	-17.2	-178.9	-68.7	-171.3	-69.7	0	0	114.3	Y123 T146 R150 W151	Y123-M148 HydrophobicContact CD2-CB 4.03Å; Y123-M148 HydrophobicContact CD2-CG 3.91Å; Y123-M148 HydrophobicContact CD2-SD 4.27Å; Y123-M148 HydrophobicContact CE2-CB 3.81Å; Y123-M148 HydrophobicContact CE2-CG 4.09Å; Y123-M148 HydrophobicContact CE2-SD 4.27Å; Y123-M148 HydrophobicContact CG-CG 4.48Å; Y123-M148 HydrophobicContact CG-SD 4.45Å; T146-M148 PolarHBondContact O-N 3.49Å; T146-M148 VanDerWaalsContact O-N 3.1Å; M148-R150 VanDerWaalsContact C-N 3.25Å; M148-R150 PolarHBondContact O-N 3.32Å; M148-W151 VanDerWaalsContact O-CD1 3.31Å; M148-W151 PolarHBondContact O-N 3.29Å
149	N	96	Very high	96.6	Very high	141 Å²	141	50.6 Å²	50.6	75%	0.754	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-72.1	-22.6	175.4	-60	-59.7	0	0	0	112.5	D147 W151	D147-N149 PolarHBondContact O-N 3.26Å; D147-N149 WeakPolarHBondContact OD1-CB 3.28Å; D147-N149 PolarHBondContact OD1-N 2.91Å; D147-N149 PolarHBondContact OD1-ND2 3.17Å; N149-W151 PolarHBondContact O-N 3.08Å
150	R	96.9	Very high	96.6	Very high	105 Å²	105	50.8 Å²	50.8	40%	0.396	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-86.1	14.7	178.4	-66.5	173.7	64.7	-165.5	-4.5	112.7	L121 I145 D147 M148 R152 E153	L121-R150 VanDerWaalsContact CD1-C 3.48Å; L121-R150 HydrophobicContact CD1-CB 4.13Å; I145-R150 HydrophobicContact CD1-CB 3.89Å; D147-R150 HydrophobicContact CB-CG 4.34Å; D147-R150 WeakPolarHBondContact O-CB 3.32Å; D147-R150 PolarHBondContact O-N 3.48Å; M148-R150 VanDerWaalsContact C-N 3.25Å; M148-R150 PolarHBondContact O-N 3.32Å; R150-R152 PolarHBondContact O-N 2.93Å; R150-E153 HydrophobicContact CB-CG 3.81Å; R150-E153 IonicContact CZ-OE1 2.99Å; R150-E153 VanDerWaalsContact NE-CD 3.29Å; R150-E153 IonicContact NE-OE1 2.71Å; R150-E153 PolarHBondContact NE-OE1 2.99Å; R150-E153 IonicContact NE-OE2 3.35Å; R150-E153 PolarHBondContact NE-OE2 3.38Å; R150-E153 IonicContact NH2-OE1 2.64Å; R150-E153 PolarHBondContact NH2-OE1 3.28Å; R150-E153 WeakPolarHBondContact O-CG 3.44Å; R150-E153 PolarHBondContact O-N 3.12Å
151	W	97.2	Very high	96.4	Very high	23 Å²	23	49.3 Å²	49.3	9%	0.087	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-24.9	-177.5	75.2	-90.1	0	0	0	113.8	L121 Y123 M148 N149 L157 P165 T168 P170 Q173	L121-W151 HydrophobicContact CD1-CB 4.28Å; L121-W151 HydrophobicContact CD2-CB 4.39Å; Y123-W151 HydrophobicContact CD2-CB 4.24Å; Y123-W151 HydrophobicContact CE2-CB 4.21Å; M148-W151 VanDerWaalsContact O-CD1 3.31Å; M148-W151 PolarHBondContact O-N 3.29Å; N149-W151 PolarHBondContact O-N 3.08Å; W151-L157 HydrophobicContact CB-CD2 4.1Å; W151-L157 HydrophobicContact CE3-CD1 4.46Å; W151-P165 HydrophobicContact CB-CB 4.49Å; W151-P165 HydrophobicContact CB-CG 4.01Å; W151-P165 HydrophobicContact CD2-CB 3.27Å; W151-P165 HydrophobicContact CD2-CG 3.5Å; W151-P165 HydrophobicContact CE3-CB 3.63Å; W151-P165 HydrophobicContact CE3-CG 3.56Å; W151-P165 HydrophobicContact CG-CB 3.68Å; W151-P165 HydrophobicContact CG-CG 3.71Å; W151-P165 HydrophobicContact CH2-CB 3.89Å; W151-P165 HydrophobicContact CZ2-CB 3.6Å; W151-P165 HydrophobicContact CZ3-CB 3.9Å; W151-P165 HydrophobicContact CZ3-CG 4.1Å; W151-T168 WeakPolarHBondContact CH2-O 3.25Å; W151-P170 VanDerWaalsContact CZ3-CD 3.48Å; W151-P170 HydrophobicContact CZ3-CG 4.33Å; W151-Q173 PolarHBondContact O-NE2 3.13Å
152	R	97.1	Very high	96	Very high	134 Å²	134	49.4 Å²	49.4	51%	0.506	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-24.7	-180	-68.3	-171.9	179.5	-75	-1.5	114.6	R150 T168 P170	R150-R152 PolarHBondContact O-N 2.93Å; R152-T168 PolarHBondContact NH1-O 3.08Å; R152-P170 HydrophobicContact CB-CG 4.44Å
153	E	96.4	Very high	95.5	Very high	108 Å²	108	52.9 Å²	52.9	51%	0.505	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-12.7	179	53	167.2	-112.4	0	0	112.6	R150	R150-E153 HydrophobicContact CB-CG 3.81Å; R150-E153 IonicContact CZ-OE1 2.99Å; R150-E153 VanDerWaalsContact NE-CD 3.29Å; R150-E153 IonicContact NE-OE1 2.71Å; R150-E153 PolarHBondContact NE-OE1 2.99Å; R150-E153 IonicContact NE-OE2 3.35Å; R150-E153 PolarHBondContact NE-OE2 3.38Å; R150-E153 IonicContact NH2-OE1 2.64Å; R150-E153 PolarHBondContact NH2-OE1 3.28Å; R150-E153 WeakPolarHBondContact O-CG 3.44Å; R150-E153 PolarHBondContact O-N 3.12Å
154	A	97.8	Very high	95.3	Very high	5 Å²	5	52.7 Å²	52.7	4%	0.041	26%	0.26	C	S	.	.			trans	-73.4	135.4	177.8	0	0	0	0	0	111.3	T119 L121 A156 L157 Q173	T119-A154 CarbonylContact O-C 3.33Å; L121-A154 HydrophobicContact CB-CB 3.63Å; L121-A154 HydrophobicContact CD1-CB 4.49Å; A154-A156 VanDerWaalsContact C-N 3.28Å; A154-L157 HydrophobicContact CB-CD2 4Å; A154-Q173 PolarHBondContact O-NE2 3.16Å
155	D	97.5	Very high	95.1	Very high	50 Å²	50	50.8 Å²	50.8	27%	0.267	25%	0.249	S	C	.	.	S	Bend	trans	-68	-31.1	170.3	-63.1	-93.5	0	0	0	111.5	K118 T119 Q173 L174	K118-D155 WeakPolarHBondContact CA-OD2 3.38Å; K118-D155 HydrophobicContact CB-CB 4.47Å; K118-D155 HydrophobicContact CD-CB 3.83Å; K118-D155 VanDerWaalsContact CD-CG 3.49Å; K118-D155 WeakPolarHBondContact CD-OD1 3.47Å; K118-D155 IonicContact NZ-OD1 3.05Å; K118-D155 PolarHBondContact NZ-OD1 2.72Å; K118-D155 VanDerWaalsContact NZ-OD1 3.16Å; T119-D155 PolarHBondContact N-OD2 2.85Å; T119-D155 PolarHBondContact O-N 3.38Å; D155-Q173 CarbonylContact O-C 3.5Å; D155-Q173 VanDerWaalsContact O-CA 3.3Å; D155-Q173 WeakPolarHBondContact O-CA 3.24Å; D155-L174 PolarHBondContact O-N 3.03Å
156	A	97.6	Very high	94.8	Very high	0 Å²	0	59 Å²	59	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	142.9	-179.1	0	0	0	0	0	112.7	T119 F120 L121 A154 L174 F176	T119-A156 PolarHBondContact O-N 2.93Å; T119-A156 VanDerWaalsContact O-N 3.12Å; F120-A156 CarbonylContact C-O 3.56Å; F120-A156 VanDerWaalsContact CA-O 3.26Å; F120-A156 WeakPolarHBondContact CA-O 3.5Å; F120-A156 HydrophobicContact CD1-CB 3.51Å; F120-A156 HydrophobicContact CE1-CB 3.53Å; F120-A156 HydrophobicContact CG-CB 4.17Å; F120-A156 HydrophobicContact CZ-CB 4.2Å; L121-A156 PolarHBondContact N-O 2.88Å; A154-A156 VanDerWaalsContact C-N 3.28Å; A156-L174 CarbonylContact C-O 3.51Å; A156-L174 WeakPolarHBondContact CA-O 3.05Å; A156-L174 HydrophobicContact CB-CB 4.05Å; A156-F176 HydrophobicContact CB-CD2 4.09Å; A156-F176 HydrophobicContact CB-CE2 3.89Å
157	L	97.5	Very high	94.7	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	141.2	170.9	-54.4	-168.3	0	0	0	110.1	L121 W151 A154 L159 P165 Q173 L174 W175 F176	L121-L157 HydrophobicContact CB-CD2 3.92Å; L121-L157 HydrophobicContact CD2-CD2 4Å; L121-L157 HydrophobicContact CG-CD2 4.49Å; L121-L157 CarbonylContact O-C 3.56Å; L121-L157 WeakPolarHBondContact O-CA 3.47Å; W151-L157 HydrophobicContact CB-CD2 4.1Å; W151-L157 HydrophobicContact CE3-CD1 4.46Å; A154-L157 HydrophobicContact CB-CD2 4Å; L157-L159 HydrophobicContact CB-CD2 3.98Å; L157-L159 HydrophobicContact CD1-CD2 4.38Å; L157-P165 HydrophobicContact CD1-CG 3.58Å; L157-Q173 HydrophobicContact CG-CG 4.46Å; L157-L174 PolarHBondContact N-O 3.39Å; L157-W175 HydrophobicContact CB-CG 4.48Å; L157-W175 HydrophobicContact CD1-CZ2 4.27Å; L157-F176 PolarHBondContact O-N 3.36Å
158	I	97.1	Very high	94.5	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	100.9	170.2	-50.4	165.3	0	0	0	106.8	F120 L121 Y123 I128 M132 T160 L178 M399	F120-I158 HydrophobicContact CB-CD1 3.98Å; F120-I158 HydrophobicContact CB-CG1 4.36Å; F120-I158 HydrophobicContact CD1-CD1 4.11Å; F120-I158 HydrophobicContact CD1-CG1 3.9Å; F120-I158 HydrophobicContact CG-CD1 4.4Å; L121-I158 PolarHBondContact O-N 2.93Å; Y123-I158 PolarHBondContact N-O 3.14Å; I128-I158 HydrophobicContact CD1-CG2 3.8Å; M132-I158 HydrophobicContact CE-CD1 3.99Å; M132-I158 HydrophobicContact SD-CD1 4.22Å; I158-T160 HydrophobicContact CG2-CG2 4.4Å; I158-L178 HydrophobicContact CG2-CB 3.73Å; I158-L178 HydrophobicContact CG2-CD1 4Å; I158-M399 HydrophobicContact CD1-CE 3.53Å; I158-M399 HydrophobicContact CG1-CE 3.69Å
159	L	96.2	Very high	94.4	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.005	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	114.6	178.9	-51	-174	0	0	0	108.9	Y123 L157 V164 W175 F176 L178 L192 I196	Y123-L159 HydrophobicContact CD1-CD2 4.06Å; Y123-L159 HydrophobicContact CG-CD2 4.24Å; L157-L159 HydrophobicContact CB-CD2 3.98Å; L157-L159 HydrophobicContact CD1-CD2 4.38Å; L159-V164 HydrophobicContact CD1-CG1 3.94Å; L159-W175 HydrophobicContact CD1-CB 4.45Å; L159-W175 HydrophobicContact CD1-CD2 4.25Å; L159-W175 HydrophobicContact CD1-CE3 3.77Å; L159-W175 HydrophobicContact CD1-CZ3 4.39Å; L159-F176 PolarHBondContact N-O 2.65Å; L159-L178 PolarHBondContact O-N 3.48Å; L159-L192 HydrophobicContact CD1-CD2 4.15Å; L159-I196 HydrophobicContact CD1-CD1 3.58Å
160	T	94.3	Very high	94.4	Very high	5 Å²	5	53.1 Å²	53.1	3%	0.031	27%	0.265	C	S	.	.			trans	-99.3	-3.4	-178.5	57	0	0	0	0	113.6	N122 Y123 G124 I128 I158 L178	N122-T160 WeakPolarHBondContact OD1-CG2 3.35Å; Y123-T160 PolarHBondContact O-N 3.2Å; G124-T160 WeakPolarHBondContact CA-OG1 3.47Å; I128-T160 HydrophobicContact CD1-CG2 3.67Å; I128-T160 HydrophobicContact CG1-CG2 3.59Å; I158-T160 HydrophobicContact CG2-CG2 4.4Å; T160-L178 WeakPolarHBondContact CA-O 2.92Å
161	E	91.2	Very high	94.2	Very high	24 Å²	24	53.8 Å²	53.8	11%	0.112	28%	0.283	C	S	.	.	S	Bend	trans	-157.8	-178.2	-177.4	57.4	-179	140.9	0	0	109.5	G124 H125 K163	G124-E161 VanDerWaalsContact CA-OE1 3.25Å; G124-E161 WeakPolarHBondContact CA-OE1 3.4Å; H125-E161 IonicContact CE1-OE1 2.87Å; H125-E161 IonicContact CG-OE1 2.77Å; H125-E161 PolarHBondContact N-OE1 3.29Å; H125-E161 IonicContact ND1-OE1 3.27Å; H125-E161 PolarHBondContact ND1-OE1 2.71Å; E161-K163 VanDerWaalsContact CD-NZ 3.33Å; E161-K163 HydrophobicContact CG-CB 4.03Å; E161-K163 HydrophobicContact CG-CD 4.16Å; E161-K163 HydrophobicContact CG-CG 3.96Å; E161-K163 PolarHBondContact O-N 3.48Å; E161-K163 IonicContact OE1-NZ 2.7Å; E161-K163 PolarHBondContact OE1-NZ 3.4Å; E161-K163 WeakPolarHBondContact OE2-CD 3.39Å; E161-K163 WeakPolarHBondContact OE2-CE 3.46Å; E161-K163 IonicContact OE2-NZ 3.16Å; E161-K163 PolarHBondContact OE2-NZ 3.19Å
162	D	87.3	Confident	93.9	Very high	78 Å²	78	59.4 Å²	59.4	42%	0.417	31%	0.31	S	S	.	.	S	Bend	trans	-78.8	33.1	180	69.1	-26.3	0	0	0	113.7	A189 F191	D162-A189 HydrophobicContact CB-CB 4.01Å; D162-F191 WeakPolarHBondContact O-CZ 3.14Å
163	K	87.8	Confident	93.8	Very high	87 Å²	87	53.3 Å²	53.3	38%	0.378	29%	0.288	S	S	.	.			trans	-108.7	135.8	177.4	-66.4	-175.6	-175.3	137.9	0	110.4	Y123 H125 E161	Y123-K163 WeakPolarHBondContact CD1-O 2.94Å; Y123-K163 HydrophobicContact CE1-CB 4.25Å; H125-K163 PolarHBondContact ND1-NZ 2.94Å; H125-K163 VanDerWaalsContact ND1-NZ 3.2Å; E161-K163 VanDerWaalsContact CD-NZ 3.33Å; E161-K163 HydrophobicContact CG-CB 4.03Å; E161-K163 HydrophobicContact CG-CD 4.16Å; E161-K163 HydrophobicContact CG-CG 3.96Å; E161-K163 PolarHBondContact O-N 3.48Å; E161-K163 IonicContact OE1-NZ 2.7Å; E161-K163 PolarHBondContact OE1-NZ 3.4Å; E161-K163 WeakPolarHBondContact OE2-CD 3.39Å; E161-K163 WeakPolarHBondContact OE2-CE 3.46Å; E161-K163 IonicContact OE2-NZ 3.16Å; E161-K163 PolarHBondContact OE2-NZ 3.19Å
164	V	92.5	Very high	93.8	Very high	35 Å²	35	48.9 Å²	48.9	21%	0.212	27%	0.267	C	S	.	.			trans	-133.1	155.3	175.6	-64	0	0	0	0	110.8	L159 W175 F191 L192	L159-V164 HydrophobicContact CD1-CG1 3.94Å; V164-W175 HydrophobicContact CB-CH2 3.73Å; V164-W175 HydrophobicContact CB-CZ3 3.93Å; V164-W175 HydrophobicContact CG1-CE3 4.23Å; V164-W175 HydrophobicContact CG1-CH2 3.82Å; V164-W175 HydrophobicContact CG1-CZ3 3.46Å; V164-W175 VanDerWaalsContact CG1-CZ3 3.46Å; V164-W175 HydrophobicContact CG2-CH2 4.45Å; V164-F191 HydrophobicContact CB-CE2 4.25Å; V164-F191 HydrophobicContact CG1-CE2 3.81Å; V164-F191 HydrophobicContact CG2-CD2 4.19Å; V164-F191 HydrophobicContact CG2-CE2 3.42Å; V164-F191 VanDerWaalsContact CG2-CE2 3.42Å; V164-F191 HydrophobicContact CG2-CZ 4.02Å; V164-L192 HydrophobicContact CG1-CD2 3.42Å; V164-L192 VanDerWaalsContact CG1-CD2 3.42Å
165	P	93.4	Very high	93.7	Very high	8 Å²	8	49.3 Å²	49.3	5%	0.052	27%	0.268	C	S	.	.			trans	-60.3	144.8	173.2	-15	25	0	0	0	112.5	Y123 W151 L157	Y123-P165 HydrophobicContact CD2-CG 4.04Å; Y123-P165 HydrophobicContact CE1-CG 4.18Å; Y123-P165 HydrophobicContact CE2-CB 4.19Å; Y123-P165 HydrophobicContact CE2-CG 3.63Å; Y123-P165 HydrophobicContact CG-CG 4.49Å; Y123-P165 VanDerWaalsContact OH-CA 3.3Å; Y123-P165 WeakPolarHBondContact OH-CA 3.36Å; W151-P165 HydrophobicContact CB-CB 4.49Å; W151-P165 HydrophobicContact CB-CG 4.01Å; W151-P165 HydrophobicContact CD2-CB 3.27Å; W151-P165 HydrophobicContact CD2-CG 3.5Å; W151-P165 HydrophobicContact CE3-CB 3.63Å; W151-P165 HydrophobicContact CE3-CG 3.56Å; W151-P165 HydrophobicContact CG-CB 3.68Å; W151-P165 HydrophobicContact CG-CG 3.71Å; W151-P165 HydrophobicContact CH2-CB 3.89Å; W151-P165 HydrophobicContact CZ2-CB 3.6Å; W151-P165 HydrophobicContact CZ3-CB 3.9Å; W151-P165 HydrophobicContact CZ3-CG 4.1Å; L157-P165 HydrophobicContact CD1-CG 3.58Å
166	K	91.6	Very high	93.6	Very high	200 Å²	200	47 Å²	47	87%	0.87	26%	0.255	S	S	*	.	S	Bend	trans	-81.1	120.9	171.8	-66	-174.7	-179.3	-179.8	0	110
167	G	91.4	Very high	93.5	Very high	58 Å²	58	47.2 Å²	47.2	60%	0.598	26%	0.257	S	S	*	.	S	Bend	trans	124.5	-175.2	172	0	0	0	0	0	112.8	R169	G167-R169 PolarHBondContact O-N 3.41Å
168	T	93.1	Very high	93.4	Very high	118 Å²	118	47.8 Å²	47.8	72%	0.724	26%	0.26	S	S	*	.	P	Polyproline II helix	trans	-71.4	126.3	-178	-47.7	0	0	0	0	111	W151 R152	W151-T168 WeakPolarHBondContact CH2-O 3.25Å; R152-T168 PolarHBondContact NH1-O 3.08Å
169	R	93.6	Very high	93.2	Very high	46 Å²	46	48.1 Å²	48.1	17%	0.174	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-59.6	126.3	171.1	179.5	177.4	174.4	168.5	0.8	110.4	G167 Q173 W175 E195 N197	G167-R169 PolarHBondContact O-N 3.41Å; R169-Q173 HydrophobicContact CG-CB 4.38Å; R169-Q173 PolarHBondContact NE-O 2.87Å; R169-Q173 PolarHBondContact NH2-O 3.44Å; R169-W175 HydrophobicContact CB-CZ2 4.45Å; R169-W175 HydrophobicContact CG-CZ2 4.39Å; R169-E195 PolarHBondContact NH1-O 2.87Å; R169-E195 IonicContact NH1-OE2 3.68Å; R169-N197 PolarHBondContact NH2-OD1 2.86Å
170	P	95.3	Very high	93.1	Very high	30 Å²	30	49.2 Å²	49.2	20%	0.195	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-54.1	147.6	173.3	-25.6	32.8	0	0	0	111.9	W151 R152 E172 Q173	W151-P170 VanDerWaalsContact CZ3-CD 3.48Å; W151-P170 HydrophobicContact CZ3-CG 4.33Å; R152-P170 HydrophobicContact CB-CG 4.44Å; P170-E172 PolarHBondContact O-N 3.48Å; P170-Q173 HydrophobicContact CB-CB 4.2Å; P170-Q173 PolarHBondContact O-N 2.72Å
171	P	91.8	Very high	93.1	Very high	120 Å²	120	51.9 Å²	51.9	78%	0.779	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	142.1	171.6	-23.9	33.9	0	0	0	110.9	Q173	P171-Q173 PolarHBondContact O-N 3.14Å
172	E	90.8	Very high	93.3	Very high	140 Å²	140	50.7 Å²	50.7	65%	0.654	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	-10	175.6	-51.8	177.2	173.6	0	0	117	P170 L174 Q407	P170-E172 PolarHBondContact O-N 3.48Å; E172-L174 PolarHBondContact O-N 2.84Å; E172-Q407 PolarHBondContact OE2-NE2 3.41Å
173	Q	95.6	Very high	93.7	Very high	6 Å²	6	47.4 Å²	47.4	3%	0.028	26%	0.256	C	S	.	.			trans	-58.4	131.6	174.5	175.3	174.8	92.3	0	0	109.7	W151 A154 D155 L157 R169 P170 P171	W151-Q173 PolarHBondContact O-NE2 3.13Å; A154-Q173 PolarHBondContact O-NE2 3.16Å; D155-Q173 CarbonylContact O-C 3.5Å; D155-Q173 VanDerWaalsContact O-CA 3.3Å; D155-Q173 WeakPolarHBondContact O-CA 3.24Å; L157-Q173 HydrophobicContact CG-CG 4.46Å; R169-Q173 HydrophobicContact CG-CB 4.38Å; R169-Q173 PolarHBondContact NE-O 2.87Å; R169-Q173 PolarHBondContact NH2-O 3.44Å; P170-Q173 HydrophobicContact CB-CB 4.2Å; P170-Q173 PolarHBondContact O-N 2.72Å; P171-Q173 PolarHBondContact O-N 3.14Å
174	L	95.8	Very high	94	Very high	15 Å²	15	46.4 Å²	46.4	8%	0.079	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	143.5	-178.7	-59.4	169.9	0	0	0	111.8	D155 A156 L157 E172 F176 N197 F198 A403 S406	D155-L174 PolarHBondContact O-N 3.03Å; A156-L174 CarbonylContact C-O 3.51Å; A156-L174 WeakPolarHBondContact CA-O 3.05Å; A156-L174 HydrophobicContact CB-CB 4.05Å; L157-L174 PolarHBondContact N-O 3.39Å; E172-L174 PolarHBondContact O-N 2.84Å; L174-F176 HydrophobicContact CB-CD2 4.33Å; L174-F176 HydrophobicContact CB-CE2 3.82Å; L174-F176 HydrophobicContact CD1-CE2 4.17Å; L174-N197 WeakPolarHBondContact CA-OD1 3.27Å; L174-N197 HydrophobicContact CD2-CB 4.41Å; L174-F198 HydrophobicContact CD1-CE2 4.26Å; L174-F198 HydrophobicContact CD2-CE2 4.22Å; L174-A403 HydrophobicContact CD1-CB 4.3Å; L174-S406 WeakPolarHBondContact CD1-OG 3.3Å
175	W	96.1	Very high	94.1	Very high	15 Å²	15	47.6 Å²	47.6	6%	0.057	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	114.2	176.3	-73.1	16.9	0	0	0	108.9	L157 L159 V164 R169 L192 E195 I196 N197 F198	L157-W175 HydrophobicContact CB-CG 4.48Å; L157-W175 HydrophobicContact CD1-CZ2 4.27Å; L159-W175 HydrophobicContact CD1-CB 4.45Å; L159-W175 HydrophobicContact CD1-CD2 4.25Å; L159-W175 HydrophobicContact CD1-CE3 3.77Å; L159-W175 HydrophobicContact CD1-CZ3 4.39Å; V164-W175 HydrophobicContact CB-CH2 3.73Å; V164-W175 HydrophobicContact CB-CZ3 3.93Å; V164-W175 HydrophobicContact CG1-CE3 4.23Å; V164-W175 HydrophobicContact CG1-CH2 3.82Å; V164-W175 HydrophobicContact CG1-CZ3 3.46Å; V164-W175 VanDerWaalsContact CG1-CZ3 3.46Å; V164-W175 HydrophobicContact CG2-CH2 4.45Å; R169-W175 HydrophobicContact CB-CZ2 4.45Å; R169-W175 HydrophobicContact CG-CZ2 4.39Å; W175-L192 HydrophobicContact CZ3-CD2 4.31Å; W175-E195 HydrophobicContact CE3-CB 4.12Å; W175-E195 HydrophobicContact CZ3-CB 4.15Å; W175-I196 HydrophobicContact CB-CD1 4.47Å; W175-N197 PolarHBondContact N-OD1 3.38Å; W175-N197 PolarHBondContact O-N 3.36Å; W175-F198 PolarHBondContact O-N 2.88Å
176	F	95.4	Very high	94.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	130.9	172.6	-68.3	-104.5	0	0	0	108.4	F120 A156 L157 L159 L174 F198 I200 I208 M399 L402	F120-F176 AromaticContact CE1-CD2 3.98Å; F120-F176 HydrophobicContact CE1-CD2 3.98Å; F120-F176 AromaticContact CE1-CE2 3.71Å; F120-F176 HydrophobicContact CE1-CE2 3.71Å; F120-F176 HydrophobicContact CE1-CZ 4.14Å; F120-F176 HydrophobicContact CZ-CE2 4.38Å; A156-F176 HydrophobicContact CB-CD2 4.09Å; A156-F176 HydrophobicContact CB-CE2 3.89Å; L157-F176 PolarHBondContact O-N 3.36Å; L159-F176 PolarHBondContact N-O 2.65Å; L174-F176 HydrophobicContact CB-CD2 4.33Å; L174-F176 HydrophobicContact CB-CE2 3.82Å; L174-F176 HydrophobicContact CD1-CE2 4.17Å; F176-F198 CarbonylContact C-O 3.59Å; F176-F198 VanDerWaalsContact CA-O 3.27Å; F176-F198 WeakPolarHBondContact CA-O 3.21Å; F176-F198 HydrophobicContact CD1-CB 3.53Å; F176-F198 HydrophobicContact CD1-CD2 4.03Å; F176-F198 HydrophobicContact CD1-CG 4.2Å; F176-F198 HydrophobicContact CD2-CD2 4.44Å; F176-F198 HydrophobicContact CE1-CB 3.65Å; F176-F198 AromaticContact CE1-CD2 3.44Å; F176-F198 HydrophobicContact CE1-CD2 3.44Å; F176-F198 VanDerWaalsContact CE1-CD2 3.44Å; F176-F198 HydrophobicContact CE1-CE2 4.36Å; F176-F198 AromaticContact CE1-CG 3.83Å; F176-F198 HydrophobicContact CE1-CG 3.83Å; F176-F198 AromaticContact CE2-CD2 3.9Å; F176-F198 HydrophobicContact CE2-CD2 3.9Å; F176-F198 HydrophobicContact CE2-CE2 4.5Å; F176-F198 HydrophobicContact CG-CB 4.25Å; F176-F198 HydrophobicContact CG-CD2 4.5Å; F176-F198 HydrophobicContact CZ-CB 4.44Å; F176-F198 AromaticContact CZ-CD2 3.37Å; F176-F198 HydrophobicContact CZ-CD2 3.37Å; F176-F198 AromaticContact CZ-CE2 3.96Å; F176-F198 HydrophobicContact CZ-CE2 3.96Å; F176-F198 HydrophobicContact CZ-CG 4.23Å; F176-I200 HydrophobicContact CB-CD1 4.28Å; F176-I200 HydrophobicContact CD1-CD1 3.99Å; F176-I200 HydrophobicContact CD1-CG1 4.41Å; F176-I208 HydrophobicContact CD1-CD1 4.44Å; F176-I208 HydrophobicContact CE1-CD1 4.26Å; F176-M399 HydrophobicContact CD1-CG 3.98Å; F176-M399 HydrophobicContact CE1-CB 4.19Å; F176-M399 HydrophobicContact CE1-CG 3.98Å; F176-L402 HydrophobicContact CE1-CB 4.29Å; F176-L402 HydrophobicContact CE1-CD1 4.07Å; F176-L402 HydrophobicContact CZ-CB 4.05Å
177	S	95.3	Very high	94.2	Very high	5 Å²	5	40.7 Å²	40.7	4%	0.035	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	119.8	167	-178.1	0	0	0	0	108.9	I179 M188 F198 T199 I200	S177-I179 WeakPolarHBondContact OG-CD1 3.05Å; S177-M188 VanDerWaalsContact OG-CE 3.28Å; S177-M188 WeakPolarHBondContact OG-CE 3.41Å; S177-F198 PolarHBondContact N-O 2.81Å; S177-T199 CarbonylContact O-C 3.57Å; S177-I200 WeakPolarHBondContact O-CA 3.31Å; S177-I200 PolarHBondContact O-N 3.23Å
178	L	95.3	Very high	94.4	Very high	13 Å²	13	38.1 Å²	38.1	7%	0.068	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	100.4	176.7	-167.4	168.3	0	0	0	109	I128 M132 I158 L159 T160 Q180 I200	I128-L178 HydrophobicContact CD1-CD1 4.41Å; I128-L178 HydrophobicContact CG2-CD1 4.05Å; M132-L178 HydrophobicContact CE-CD1 3.6Å; I158-L178 HydrophobicContact CG2-CB 3.73Å; I158-L178 HydrophobicContact CG2-CD1 4Å; L159-L178 PolarHBondContact O-N 3.48Å; T160-L178 WeakPolarHBondContact CA-O 2.92Å; L178-Q180 HydrophobicContact CD2-CG 4.23Å; L178-I200 WeakPolarHBondContact CA-O 3.39Å; L178-I200 HydrophobicContact CB-CB 4.23Å; L178-I200 HydrophobicContact CB-CD1 4.3Å; L178-I200 HydrophobicContact CD1-CD1 4.25Å; L178-I200 HydrophobicContact CG-CB 4.1Å; L178-I200 HydrophobicContact CG-CD1 4.35Å; L178-I200 HydrophobicContact CG-CG2 4.12Å
179	I	94	Very high	94.4	Very high	6 Å²	6	33.4 Å²	33.4	3%	0.031	19%	0.185	C	C	.	.			trans	-130	117.6	-177	-54.5	175.3	0	0	0	108.7	S177 I186 M188 I200 S201 W421	S177-I179 WeakPolarHBondContact OG-CD1 3.05Å; I179-I186 HydrophobicContact CD1-CG2 4.09Å; I179-I186 HydrophobicContact CG1-CG2 4.4Å; I179-I186 HydrophobicContact CG2-CB 3.84Å; I179-I186 HydrophobicContact CG2-CD1 3.99Å; I179-I186 HydrophobicContact CG2-CG1 4.47Å; I179-I186 HydrophobicContact CG2-CG2 3.81Å; I179-M188 HydrophobicContact CD1-CE 4.49Å; I179-M188 HydrophobicContact CD1-CG 3.63Å; I179-M188 HydrophobicContact CD1-SD 4.01Å; I179-I200 PolarHBondContact N-O 2.93Å; I179-S201 WeakPolarHBondContact O-CA 3.46Å; I179-S201 WeakPolarHBondContact O-CB 3.3Å; I179-W421 HydrophobicContact CB-CH2 4.12Å; I179-W421 HydrophobicContact CB-CZ2 3.93Å; I179-W421 HydrophobicContact CG2-CH2 3.83Å; I179-W421 HydrophobicContact CG2-CZ2 3.28Å
180	Q	92.4	Very high	94.2	Very high	24 Å²	24	34 Å²	34	11%	0.112	21%	0.205	C	C	.	.			trans	-101.8	-27.1	178.6	-72	-65.6	-9.4	0	0	113	L178 F202 S210 Y212 W391	L178-Q180 HydrophobicContact CD2-CG 4.23Å; Q180-F202 VanDerWaalsContact O-CD1 3.27Å; Q180-F202 WeakPolarHBondContact O-CD1 3.37Å; Q180-F202 WeakPolarHBondContact O-CE1 3.41Å; Q180-S210 PolarHBondContact NE2-O 3.38Å; Q180-S210 PolarHBondContact NE2-OG 3.49Å; Q180-S210 VanDerWaalsContact NE2-OG 3.16Å; Q180-S210 PolarHBondContact OE1-O 3.46Å; Q180-Y212 HydrophobicContact CB-CE2 4.2Å; Q180-Y212 WeakPolarHBondContact O-CE2 3.38Å; Q180-Y212 PolarHBondContact O-OH 2.98Å; Q180-W391 HydrophobicContact CB-CH2 4.42Å; Q180-W391 HydrophobicContact CG-CH2 4.29Å; Q180-W391 HydrophobicContact CG-CZ2 4.34Å
181	E	94.4	Very high	94	Very high	61 Å²	61	38 Å²	38	29%	0.285	22%	0.219	S	C	.	.	S	Bend	trans	-73.1	159	175.3	-82.3	-67	159.1	0	0	112.2	H185 I186 Y315 W421	E181-H185 HydrophobicContact CB-CB 4.16Å; E181-H185 IonicContact OE2-CD2 2.72Å; E181-H185 IonicContact OE2-CG 3.57Å; E181-I186 HydrophobicContact CB-CD1 3.67Å; E181-I186 HydrophobicContact CB-CG1 3.85Å; E181-I186 HydrophobicContact CG-CD1 4.18Å; E181-Y315 PolarHBondContact OE2-OH 3.1Å; E181-W421 WeakPolarHBondContact O-CH2 3.12Å; E181-W421 WeakPolarHBondContact O-CZ2 3.09Å
182	S	96.2	Very high	94	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.183	C	C	.	.			trans	-63.2	156.1	176.4	65.2	0	0	0	0	113.7	V184 H185 I186 S310	S182-V184 PolarHBondContact O-N 3.45Å; S182-V184 VanDerWaalsContact O-N 3.08Å; S182-V184 VanDerWaalsContact OG-CG2 3.28Å; S182-V184 WeakPolarHBondContact OG-CG2 3.05Å; S182-H185 PolarHBondContact O-N 3.3Å; S182-H185 PolarHBondContact OG-CD2 2.8Å; S182-H185 VanDerWaalsContact OG-CD2 3.29Å; S182-I186 PolarHBondContact O-N 2.92Å; S182-S310 WeakPolarHBondContact CB-OG 3.47Å; S182-S310 VanDerWaalsContact OG-CB 3.31Å; S182-S310 WeakPolarHBondContact OG-CB 3.28Å; S182-S310 PolarHBondContact OG-OG 3.24Å
183	P	95.6	Very high	93.9	Very high	8 Å²	8	28.1 Å²	28.1	5%	0.052	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-27.4	178.5	-26.9	31.9	0	0	0	115.8	H185 I186 A187 W421	P183-H185 VanDerWaalsContact C-N 3.28Å; P183-H185 PolarHBondContact O-N 2.91Å; P183-I186 WeakPolarHBondContact CA-O 3.35Å; P183-I186 CarbonylContact O-C 3.55Å; P183-A187 PolarHBondContact O-N 2.87Å; P183-W421 WeakPolarHBondContact CB-O 3.33Å; P183-W421 HydrophobicContact CG-CD2 4.14Å; P183-W421 HydrophobicContact CG-CZ2 4.06Å; P183-W421 WeakPolarHBondContact CG-O 3.32Å
184	V	94.4	Very high	93.3	Very high	66 Å²	66	32.1 Å²	32.1	40%	0.4	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-17.2	176.4	-62.1	0	0	0	0	113.5	S182 K253 S310 C425	S182-V184 PolarHBondContact O-N 3.45Å; S182-V184 VanDerWaalsContact O-N 3.08Å; S182-V184 VanDerWaalsContact OG-CG2 3.28Å; S182-V184 WeakPolarHBondContact OG-CG2 3.05Å; V184-K253 HydrophobicContact CB-CB 4.45Å; V184-K253 HydrophobicContact CB-CG 4.24Å; V184-K253 HydrophobicContact CG2-CB 4.01Å; V184-K253 HydrophobicContact CG2-CG 4.04Å; V184-S310 WeakPolarHBondContact CG2-OG 3.43Å; V184-C425 HydrophobicContact CG1-CB 4.25Å
185	H	94	Very high	93.1	Very high	60 Å²	60	35.1 Å²	35.1	28%	0.278	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-30.8	177.5	-76	-52.2	0	0	0	112.5	E181 S182 P183 N309	E181-H185 HydrophobicContact CB-CB 4.16Å; E181-H185 IonicContact OE2-CD2 2.72Å; E181-H185 IonicContact OE2-CG 3.57Å; S182-H185 PolarHBondContact O-N 3.3Å; S182-H185 PolarHBondContact OG-CD2 2.8Å; S182-H185 VanDerWaalsContact OG-CD2 3.29Å; P183-H185 VanDerWaalsContact C-N 3.28Å; P183-H185 PolarHBondContact O-N 2.91Å; H185-N309 PolarHBondContact CD2-ND2 2.97Å; H185-N309 PolarHBondContact NE2-ND2 3.47Å
186	I	94.1	Very high	92.9	Very high	13 Å²	13	34.4 Å²	34.4	7%	0.067	20%	0.196	C	C	.	.	S	Bend	trans	-136.2	105.4	172.9	-56.6	-178.3	0	0	0	107.1	I179 E181 S182 P183 W421	I179-I186 HydrophobicContact CD1-CG2 4.09Å; I179-I186 HydrophobicContact CG1-CG2 4.4Å; I179-I186 HydrophobicContact CG2-CB 3.84Å; I179-I186 HydrophobicContact CG2-CD1 3.99Å; I179-I186 HydrophobicContact CG2-CG1 4.47Å; I179-I186 HydrophobicContact CG2-CG2 3.81Å; E181-I186 HydrophobicContact CB-CD1 3.67Å; E181-I186 HydrophobicContact CB-CG1 3.85Å; E181-I186 HydrophobicContact CG-CD1 4.18Å; S182-I186 PolarHBondContact O-N 2.92Å; P183-I186 WeakPolarHBondContact CA-O 3.35Å; P183-I186 CarbonylContact O-C 3.55Å; I186-W421 PolarHBondContact O-NE1 3.17Å
187	A	94.3	Very high	92.8	Very high	50 Å²	50	34.6 Å²	34.6	41%	0.413	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-87	155.7	171.2	0	0	0	0	0	110.1	P183 N422	P183-A187 PolarHBondContact O-N 2.87Å; A187-N422 VanDerWaalsContact CA-OD1 3.3Å; A187-N422 WeakPolarHBondContact CA-OD1 3.3Å; A187-N422 WeakPolarHBondContact CB-OD1 3.2Å
188	M	93.9	Very high	92.7	Very high	5 Å²	5	34.4 Å²	34.4	3%	0.025	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-96.8	130.4	168.4	-72.4	-175.4	90.2	0	0	109.5	S177 I179 L192 I196 V417 A418 W421 N422	S177-M188 VanDerWaalsContact OG-CE 3.28Å; S177-M188 WeakPolarHBondContact OG-CE 3.41Å; I179-M188 HydrophobicContact CD1-CE 4.49Å; I179-M188 HydrophobicContact CD1-CG 3.63Å; I179-M188 HydrophobicContact CD1-SD 4.01Å; M188-L192 HydrophobicContact CB-CD1 4.33Å; M188-L192 HydrophobicContact CE-CD1 3.99Å; M188-I196 HydrophobicContact CE-CD1 4.25Å; M188-I196 HydrophobicContact CE-CG1 3.82Å; M188-V417 HydrophobicContact CE-CG1 4.21Å; M188-V417 HydrophobicContact CE-CG2 3.72Å; M188-V417 HydrophobicContact SD-CG2 3.88Å; M188-A418 HydrophobicContact CB-CB 4.1Å; M188-W421 HydrophobicContact CB-CB 4.45Å; M188-W421 HydrophobicContact CG-CB 4.14Å; M188-W421 HydrophobicContact CG-CG 3.9Å; M188-W421 HydrophobicContact SD-CB 3.69Å; M188-W421 HydrophobicContact SD-CG 3.82Å; M188-N422 PolarHBondContact N-OD1 2.73Å; M188-N422 PolarHBondContact O-ND2 3.02Å
189	A	92.9	Very high	92.6	Very high	19 Å²	19	33.9 Å²	33.9	16%	0.157	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-71.4	145	179.2	0	0	0	0	0	111.8	D162 F191 L192	D162-A189 HydrophobicContact CB-CB 4.01Å; A189-F191 HydrophobicContact CB-CD1 3.52Å; A189-F191 HydrophobicContact CB-CE1 3.18Å; A189-F191 HydrophobicContact CB-CE2 4.42Å; A189-F191 HydrophobicContact CB-CG 4.29Å; A189-F191 HydrophobicContact CB-CZ 3.69Å; A189-F191 PolarHBondContact O-N 3.42Å; A189-F191 VanDerWaalsContact O-N 3.09Å; A189-L192 WeakPolarHBondContact O-CB 3.32Å; A189-L192 PolarHBondContact O-N 3.39Å
190	G	91.3	Very high	92.6	Very high	57 Å²	57	33.7 Å²	33.7	59%	0.588	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-64.7	-13.1	-178.9	0	0	0	0	0	115.2	L192 E193	G190-L192 VanDerWaalsContact C-N 3.26Å; G190-E193 WeakPolarHBondContact O-CB 3.3Å; G190-E193 WeakPolarHBondContact O-CG 3.41Å
191	F	90.6	Very high	92.6	Very high	114 Å²	114	32.6 Å²	32.6	50%	0.5	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-77.7	-12.2	172.4	67.1	-106.1	0	0	0	112.8	D162 V164 A189 E193	D162-F191 WeakPolarHBondContact O-CZ 3.14Å; V164-F191 HydrophobicContact CB-CE2 4.25Å; V164-F191 HydrophobicContact CG1-CE2 3.81Å; V164-F191 HydrophobicContact CG2-CD2 4.19Å; V164-F191 HydrophobicContact CG2-CE2 3.42Å; V164-F191 VanDerWaalsContact CG2-CE2 3.42Å; V164-F191 HydrophobicContact CG2-CZ 4.02Å; A189-F191 HydrophobicContact CB-CD1 3.52Å; A189-F191 HydrophobicContact CB-CE1 3.18Å; A189-F191 HydrophobicContact CB-CE2 4.42Å; A189-F191 HydrophobicContact CB-CG 4.29Å; A189-F191 HydrophobicContact CB-CZ 3.69Å; A189-F191 PolarHBondContact O-N 3.42Å; A189-F191 VanDerWaalsContact O-N 3.09Å; F191-E193 PolarHBondContact O-N 2.93Å
192	L	91.5	Very high	92.5	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.016	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-78.3	-3.3	174.5	-67.3	173.9	0	0	0	112.6	L159 V164 W175 M188 A189 G190 N194 E195 I196 V417	L159-L192 HydrophobicContact CD1-CD2 4.15Å; V164-L192 HydrophobicContact CG1-CD2 3.42Å; V164-L192 VanDerWaalsContact CG1-CD2 3.42Å; W175-L192 HydrophobicContact CZ3-CD2 4.31Å; M188-L192 HydrophobicContact CB-CD1 4.33Å; M188-L192 HydrophobicContact CE-CD1 3.99Å; A189-L192 WeakPolarHBondContact O-CB 3.32Å; A189-L192 PolarHBondContact O-N 3.39Å; G190-L192 VanDerWaalsContact C-N 3.26Å; L192-N194 PolarHBondContact O-N 2.88Å; L192-E195 WeakPolarHBondContact O-CB 3.34Å; L192-E195 PolarHBondContact O-N 2.98Å; L192-I196 HydrophobicContact CB-CG1 4.29Å; L192-I196 HydrophobicContact CD2-CD1 4.08Å; L192-V417 HydrophobicContact CB-CG1 4.31Å; L192-V417 VanDerWaalsContact O-CG1 3.31Å; L192-V417 WeakPolarHBondContact O-CG1 3.45Å
193	E	88.1	Confident	92.2	Very high	51 Å²	51	31.1 Å²	31.1	24%	0.238	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	122	-177.7	-64.2	-70.1	-151.9	0	0	111.5	G190 F191 E195 K416 V417 A418 R419	G190-E193 WeakPolarHBondContact O-CB 3.3Å; G190-E193 WeakPolarHBondContact O-CG 3.41Å; F191-E193 PolarHBondContact O-N 2.93Å; E193-E195 PolarHBondContact O-N 3.24Å; E193-K416 WeakPolarHBondContact OE2-CA 3.26Å; E193-K416 PolarHBondContact OE2-N 3.11Å; E193-V417 PolarHBondContact OE2-N 3.19Å; E193-A418 HydrophobicContact CG-CB 4.1Å; E193-A418 WeakPolarHBondContact OE1-CB 2.92Å; E193-A418 PolarHBondContact OE1-N 2.96Å; E193-A418 PolarHBondContact OE2-N 3.01Å; E193-R419 PolarHBondContact OE1-N 3.08Å
194	N	84.2	Confident	91.8	Very high	89 Å²	89	32.4 Å²	32.4	48%	0.476	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	14.2	-173.4	-39.3	-68.4	0	0	0	114.9	L192 W413	L192-N194 PolarHBondContact O-N 2.88Å; N194-W413 WeakPolarHBondContact O-CB 3.38Å
195	E	90.4	Very high	91.3	Very high	79 Å²	79	29.9 Å²	29.9	37%	0.369	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-34.2	174.4	-66.1	-63.8	157.1	0	0	112.1	R169 W175 L192 E193 N197	R169-E195 PolarHBondContact NH1-O 2.87Å; R169-E195 IonicContact NH1-OE2 3.68Å; W175-E195 HydrophobicContact CE3-CB 4.12Å; W175-E195 HydrophobicContact CZ3-CB 4.15Å; L192-E195 WeakPolarHBondContact O-CB 3.34Å; L192-E195 PolarHBondContact O-N 2.98Å; E193-E195 PolarHBondContact O-N 3.24Å; E195-N197 PolarHBondContact O-N 3.34Å
196	I	93.1	Very high	91.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.157	C	C	.	.			trans	-73.5	126.7	-179.7	-57.5	-59.1	0	0	0	109.9	L159 W175 M188 L192 F198 T199 W413 V414 V417	L159-I196 HydrophobicContact CD1-CD1 3.58Å; W175-I196 HydrophobicContact CB-CD1 4.47Å; M188-I196 HydrophobicContact CE-CD1 4.25Å; M188-I196 HydrophobicContact CE-CG1 3.82Å; L192-I196 HydrophobicContact CB-CG1 4.29Å; L192-I196 HydrophobicContact CD2-CD1 4.08Å; I196-F198 WeakPolarHBondContact CG2-O 3.33Å; I196-T199 HydrophobicContact CG2-CG2 4.04Å; I196-W413 CarbonylContact O-C 3.47Å; I196-W413 VanDerWaalsContact O-CA 3.25Å; I196-W413 WeakPolarHBondContact O-CA 3.37Å; I196-V414 PolarHBondContact O-N 3.44Å; I196-V417 HydrophobicContact CB-CG1 4.28Å; I196-V417 HydrophobicContact CB-CG2 4.26Å; I196-V417 HydrophobicContact CG1-CG1 3.91Å; I196-V417 HydrophobicContact CG1-CG2 4.27Å; I196-V417 HydrophobicContact CG2-CG2 4.44Å
197	N	93	Very high	90.8	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.016	15%	0.154	C	C	.	.	S	Bend	trans	-79.4	-49.4	170.8	-53.1	90.4	0	0	0	110.8	R169 L174 W175 E195 Y412 W413	R169-N197 PolarHBondContact NH2-OD1 2.86Å; L174-N197 WeakPolarHBondContact CA-OD1 3.27Å; L174-N197 HydrophobicContact CD2-CB 4.41Å; W175-N197 PolarHBondContact N-OD1 3.38Å; W175-N197 PolarHBondContact O-N 3.36Å; E195-N197 PolarHBondContact O-N 3.34Å; N197-Y412 VanDerWaalsContact CA-O 3.31Å; N197-Y412 WeakPolarHBondContact CA-O 3.34Å; N197-Y412 WeakPolarHBondContact CB-O 3.42Å; N197-Y412 PolarHBondContact ND2-O 2.91Å; N197-Y412 WeakPolarHBondContact O-CD1 3.37Å; N197-Y412 WeakPolarHBondContact O-CE1 3.25Å; N197-W413 WeakPolarHBondContact ND2-CZ3 3.3Å
198	F	93.1	Very high	90.6	Very high	1 Å²	1	24.4 Å²	24.4	0%	0.004	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	136.5	-169.5	-56.2	-65.4	0	0	0	110.9	Y82 L174 W175 F176 S177 I196 T207 L402 F409 Y412	Y82-F198 HydrophobicContact CD1-CE1 4.21Å; Y82-F198 HydrophobicContact CE1-CE1 4.31Å; L174-F198 HydrophobicContact CD1-CE2 4.26Å; L174-F198 HydrophobicContact CD2-CE2 4.22Å; W175-F198 PolarHBondContact O-N 2.88Å; F176-F198 CarbonylContact C-O 3.59Å; F176-F198 VanDerWaalsContact CA-O 3.27Å; F176-F198 WeakPolarHBondContact CA-O 3.21Å; F176-F198 HydrophobicContact CD1-CB 3.53Å; F176-F198 HydrophobicContact CD1-CD2 4.03Å; F176-F198 HydrophobicContact CD1-CG 4.2Å; F176-F198 HydrophobicContact CD2-CD2 4.44Å; F176-F198 HydrophobicContact CE1-CB 3.65Å; F176-F198 AromaticContact CE1-CD2 3.44Å; F176-F198 HydrophobicContact CE1-CD2 3.44Å; F176-F198 VanDerWaalsContact CE1-CD2 3.44Å; F176-F198 HydrophobicContact CE1-CE2 4.36Å; F176-F198 AromaticContact CE1-CG 3.83Å; F176-F198 HydrophobicContact CE1-CG 3.83Å; F176-F198 AromaticContact CE2-CD2 3.9Å; F176-F198 HydrophobicContact CE2-CD2 3.9Å; F176-F198 HydrophobicContact CE2-CE2 4.5Å; F176-F198 HydrophobicContact CG-CB 4.25Å; F176-F198 HydrophobicContact CG-CD2 4.5Å; F176-F198 HydrophobicContact CZ-CB 4.44Å; F176-F198 AromaticContact CZ-CD2 3.37Å; F176-F198 HydrophobicContact CZ-CD2 3.37Å; F176-F198 AromaticContact CZ-CE2 3.96Å; F176-F198 HydrophobicContact CZ-CE2 3.96Å; F176-F198 HydrophobicContact CZ-CG 4.23Å; S177-F198 PolarHBondContact N-O 2.81Å; I196-F198 WeakPolarHBondContact CG2-O 3.33Å; F198-T207 HydrophobicContact CB-CG2 4.02Å; F198-T207 HydrophobicContact CD1-CG2 3.42Å; F198-T207 VanDerWaalsContact CD1-CG2 3.42Å; F198-T207 HydrophobicContact CE1-CG2 4.27Å; F198-T207 HydrophobicContact CG-CG2 4.13Å; F198-L402 HydrophobicContact CD1-CD1 3.89Å; F198-L402 HydrophobicContact CD1-CD2 4.47Å; F198-L402 HydrophobicContact CD2-CB 4.46Å; F198-L402 HydrophobicContact CD2-CD1 4.25Å; F198-L402 HydrophobicContact CE1-CD1 4.04Å; F198-L402 HydrophobicContact CE1-CD2 3.81Å; F198-L402 HydrophobicContact CE1-CG 4.42Å; F198-L402 HydrophobicContact CE2-CB 4.08Å; F198-L402 HydrophobicContact CE2-CD1 4.43Å; F198-L402 HydrophobicContact CG-CD1 3.96Å; F198-L402 HydrophobicContact CZ-CB 4.2Å; F198-L402 HydrophobicContact CZ-CD1 4.32Å; F198-L402 HydrophobicContact CZ-CD2 3.88Å; F198-L402 HydrophobicContact CZ-CG 4.37Å; F198-F409 HydrophobicContact CZ-CZ 4.35Å; F198-Y412 AromaticContact CD1-CD1 3.62Å; F198-Y412 HydrophobicContact CD1-CD1 3.62Å; F198-Y412 AromaticContact CD1-CE1 3.84Å; F198-Y412 HydrophobicContact CD1-CE1 3.84Å; F198-Y412 AromaticContact CE1-CD1 3.46Å; F198-Y412 HydrophobicContact CE1-CD1 3.46Å; F198-Y412 VanDerWaalsContact CE1-CD1 3.46Å; F198-Y412 HydrophobicContact CE1-CE1 4.08Å; F198-Y412 HydrophobicContact CE1-CG 4.46Å; F198-Y412 HydrophobicContact CZ-CD1 4.33Å
199	T	93	Very high	90.4	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.018	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	139.1	177	51.2	0	0	0	0	111	S177 I196 S206 T207 I208 V414 V417 W420	S177-T199 CarbonylContact O-C 3.57Å; I196-T199 HydrophobicContact CG2-CG2 4.04Å; T199-S206 WeakPolarHBondContact OG1-CA 2.94Å; T199-T207 PolarHBondContact N-OG1 3.13Å; T199-T207 WeakPolarHBondContact O-CB 3.36Å; T199-T207 PolarHBondContact O-N 3.4Å; T199-T207 VanDerWaalsContact O-N 3.11Å; T199-T207 PolarHBondContact OG1-N 3.15Å; T199-T207 PolarHBondContact OG1-OG1 2.8Å; T199-I208 PolarHBondContact O-N 3.39Å; T199-V414 HydrophobicContact CG2-CG2 4.01Å; T199-V417 HydrophobicContact CG2-CG2 3.72Å; T199-W420 HydrophobicContact CG2-CE3 4.33Å; T199-W420 HydrophobicContact CG2-CH2 4.05Å; T199-W420 HydrophobicContact CG2-CZ3 3.62Å
200	I	93.8	Very high	90.3	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	109.6	178.2	-44.6	177.6	0	0	0	107.3	F176 S177 L178 I179 I208 P395 M399	F176-I200 HydrophobicContact CB-CD1 4.28Å; F176-I200 HydrophobicContact CD1-CD1 3.99Å; F176-I200 HydrophobicContact CD1-CG1 4.41Å; S177-I200 WeakPolarHBondContact O-CA 3.31Å; S177-I200 PolarHBondContact O-N 3.23Å; L178-I200 WeakPolarHBondContact CA-O 3.39Å; L178-I200 HydrophobicContact CB-CB 4.23Å; L178-I200 HydrophobicContact CB-CD1 4.3Å; L178-I200 HydrophobicContact CD1-CD1 4.25Å; L178-I200 HydrophobicContact CG-CB 4.1Å; L178-I200 HydrophobicContact CG-CD1 4.35Å; L178-I200 HydrophobicContact CG-CG2 4.12Å; I179-I200 PolarHBondContact N-O 2.93Å; I200-I208 WeakPolarHBondContact CA-O 3.28Å; I200-I208 HydrophobicContact CB-CB 4.45Å; I200-I208 HydrophobicContact CD1-CD1 4.03Å; I200-I208 HydrophobicContact CG1-CB 4.09Å; I200-I208 HydrophobicContact CG1-CD1 3.91Å; I200-I208 HydrophobicContact CG1-CG1 4.44Å; I200-I208 HydrophobicContact CG2-CB 4.22Å; I200-I208 HydrophobicContact CG2-CG2 4.22Å; I200-P395 HydrophobicContact CG2-CB 3.67Å; I200-P395 HydrophobicContact CG2-CG 4.39Å; I200-M399 HydrophobicContact CD1-CE 4.41Å; I200-M399 HydrophobicContact CD1-CG 3.54Å; I200-M399 HydrophobicContact CD1-SD 3.44Å; I200-M399 WeakPolarHBondContact CD1-SD 3.25Å
201	S	93.2	Very high	90.4	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.014	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	178.9	178.2	84	0	0	0	0	112	I179 R203 S206 I208 S210	I179-S201 WeakPolarHBondContact O-CA 3.46Å; I179-S201 WeakPolarHBondContact O-CB 3.3Å; S201-R203 PolarHBondContact O-N 3.28Å; S201-R203 PolarHBondContact OG-N 2.95Å; S201-S206 PolarHBondContact OG-OG 3.03Å; S201-I208 PolarHBondContact N-O 3.46Å; S201-S210 CarbonylContact C-O 3.48Å; S201-S210 PolarHBondContact O-N 3.24Å
202	F	92	Very high	90.5	Very high	4 Å²	4	19.6 Å²	19.6	2%	0.018	9%	0.094	C	C	.	.	S	Bend	trans	-70	-7.4	171.4	62.4	-98.8	0	0	0	114	Q180 Y209 Y212 E314 Y315 W421	Q180-F202 VanDerWaalsContact O-CD1 3.27Å; Q180-F202 WeakPolarHBondContact O-CD1 3.37Å; Q180-F202 WeakPolarHBondContact O-CE1 3.41Å; F202-Y209 WeakPolarHBondContact O-CE2 3.45Å; F202-Y212 HydrophobicContact CB-CD2 4.42Å; F202-Y212 HydrophobicContact CD1-CE2 4.4Å; F202-E314 HydrophobicContact CD2-CB 4.49Å; F202-E314 WeakPolarHBondContact CD2-O 3.29Å; F202-Y315 AromaticContact CD1-CD2 3.76Å; F202-Y315 HydrophobicContact CD1-CD2 3.76Å; F202-Y315 HydrophobicContact CD1-CE2 4.23Å; F202-Y315 HydrophobicContact CD2-CD2 4.19Å; F202-Y315 AromaticContact CE1-CD2 3.38Å; F202-Y315 HydrophobicContact CE1-CD2 3.38Å; F202-Y315 AromaticContact CE1-CE2 3.9Å; F202-Y315 HydrophobicContact CE1-CE2 3.9Å; F202-Y315 HydrophobicContact CE1-CG 4.43Å; F202-Y315 AromaticContact CE2-CD2 3.87Å; F202-Y315 HydrophobicContact CE2-CD2 3.87Å; F202-Y315 HydrophobicContact CE2-CG 4.27Å; F202-Y315 HydrophobicContact CG-CD2 4.15Å; F202-Y315 AromaticContact CZ-CD2 3.46Å; F202-Y315 HydrophobicContact CZ-CD2 3.46Å; F202-Y315 VanDerWaalsContact CZ-CD2 3.46Å; F202-Y315 HydrophobicContact CZ-CE2 4.36Å; F202-Y315 HydrophobicContact CZ-CG 4.1Å; F202-W421 AromaticContact CE1-CH2 3.6Å; F202-W421 HydrophobicContact CE1-CH2 3.6Å; F202-W421 HydrophobicContact CE1-CZ3 4.24Å; F202-W421 AromaticContact CZ-CH2 3.82Å; F202-W421 HydrophobicContact CZ-CH2 3.82Å; F202-W421 HydrophobicContact CZ-CZ3 4.17Å
203	R	90.3	Very high	90.6	Very high	25 Å²	25	19.6 Å²	19.6	9%	0.094	9%	0.094	C	C	.	.	S	Bend	trans	-77.1	136.3	177.9	-61	178.8	55.5	130.5	2.4	111	S201 D205 S206 E314 W420 W421	S201-R203 PolarHBondContact O-N 3.28Å; S201-R203 PolarHBondContact OG-N 2.95Å; R203-D205 WeakPolarHBondContact CB-OD1 3.33Å; R203-D205 IonicContact CZ-OD1 3.86Å; R203-D205 IonicContact CZ-OD2 3.55Å; R203-D205 IonicContact NE-OD1 3.22Å; R203-D205 PolarHBondContact NE-OD1 3.5Å; R203-D205 IonicContact NE-OD2 3.26Å; R203-D205 IonicContact NH2-OD1 3.63Å; R203-D205 PolarHBondContact NH2-OD1 3.02Å; R203-D205 IonicContact NH2-OD2 3.45Å; R203-D205 PolarHBondContact NH2-OD2 3.36Å; R203-D205 PolarHBondContact O-N 3.48Å; R203-S206 VanDerWaalsContact O-CB 3.31Å; R203-S206 WeakPolarHBondContact O-CB 3.49Å; R203-S206 PolarHBondContact O-N 2.98Å; R203-S206 PolarHBondContact O-OG 3.36Å; R203-E314 WeakPolarHBondContact CA-OE2 3.31Å; R203-W420 HydrophobicContact CB-CZ2 4.12Å; R203-W420 HydrophobicContact CG-CZ2 4.43Å; R203-W420 PolarHBondContact NH1-O 2.95Å; R203-W421 HydrophobicContact CG-CZ3 4.21Å
204	L	85.7	Confident	90.8	Very high	35 Å²	35	19.1 Å²	19.1	18%	0.183	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-22.8	179.6	-70.7	177.5	0	0	0	112.9	P94 Y209 E314	P94-L204 HydrophobicContact CB-CB 4.33Å; L204-Y209 HydrophobicContact CD2-CD1 4.34Å; L204-Y209 HydrophobicContact CD2-CD2 4.04Å; L204-Y209 HydrophobicContact CD2-CE1 3.92Å; L204-Y209 HydrophobicContact CD2-CE2 3.57Å; L204-Y209 HydrophobicContact CD2-CG 4.38Å; L204-Y209 VanDerWaalsContact CD2-CZ 3.5Å; L204-Y209 HydrophobicContact CG-CE2 4.26Å; L204-E314 WeakPolarHBondContact CD1-OE1 3.38Å; L204-E314 PolarHBondContact N-OE2 2.94Å
205	D	84.9	Confident	91.3	Very high	14 Å²	14	16.5 Å²	16.5	8%	0.075	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	9.8	174.9	60.7	2.9	0	0	0	113.6	V90 Q91 R203 W420	V90-D205 HydrophobicContact CG1-CB 4.38Å; V90-D205 WeakPolarHBondContact CG1-OD2 3.49Å; Q91-D205 HydrophobicContact CB-CB 3.75Å; Q91-D205 PolarHBondContact NE2-O 2.93Å; Q91-D205 PolarHBondContact OE1-O 3.04Å; R203-D205 WeakPolarHBondContact CB-OD1 3.33Å; R203-D205 IonicContact CZ-OD1 3.86Å; R203-D205 IonicContact CZ-OD2 3.55Å; R203-D205 IonicContact NE-OD1 3.22Å; R203-D205 PolarHBondContact NE-OD1 3.5Å; R203-D205 IonicContact NE-OD2 3.26Å; R203-D205 IonicContact NH2-OD1 3.63Å; R203-D205 PolarHBondContact NH2-OD1 3.02Å; R203-D205 IonicContact NH2-OD2 3.45Å; R203-D205 PolarHBondContact NH2-OD2 3.36Å; R203-D205 PolarHBondContact O-N 3.48Å; D205-W420 VanDerWaalsContact OD1-CZ2 3.26Å; D205-W420 WeakPolarHBondContact OD1-CZ2 2.93Å; D205-W420 PolarHBondContact OD1-NE1 2.71Å; D205-W420 VanDerWaalsContact OD1-NE1 3.11Å; D205-W420 PolarHBondContact OD2-NE1 3.36Å
206	S	89.3	Confident	91.4	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.014	9%	0.085	C	C	.	.	S	Bend	trans	-68.2	155.8	168.9	-53	0	0	0	0	111	T199 S201 R203 I208	T199-S206 WeakPolarHBondContact OG1-CA 2.94Å; S201-S206 PolarHBondContact OG-OG 3.03Å; R203-S206 VanDerWaalsContact O-CB 3.31Å; R203-S206 WeakPolarHBondContact O-CB 3.49Å; R203-S206 PolarHBondContact O-N 2.98Å; R203-S206 PolarHBondContact O-OG 3.36Å; S206-I208 VanDerWaalsContact C-N 3.28Å; S206-I208 WeakPolarHBondContact CB-O 3.4Å; S206-I208 PolarHBondContact O-N 2.97Å
207	T	88.9	Confident	91.4	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.012	9%	0.093	C	C	.	.	S	Bend	trans	-57	-46.4	169.6	-50	0	0	0	0	110.9	Y82 F198 T199 L402	Y82-T207 HydrophobicContact CD1-CG2 4.4Å; Y82-T207 HydrophobicContact CE1-CG2 3.66Å; F198-T207 HydrophobicContact CB-CG2 4.02Å; F198-T207 HydrophobicContact CD1-CG2 3.42Å; F198-T207 VanDerWaalsContact CD1-CG2 3.42Å; F198-T207 HydrophobicContact CE1-CG2 4.27Å; F198-T207 HydrophobicContact CG-CG2 4.13Å; T199-T207 PolarHBondContact N-OG1 3.13Å; T199-T207 WeakPolarHBondContact O-CB 3.36Å; T199-T207 PolarHBondContact O-N 3.4Å; T199-T207 VanDerWaalsContact O-N 3.11Å; T199-T207 PolarHBondContact OG1-N 3.15Å; T199-T207 PolarHBondContact OG1-OG1 2.8Å; T207-L402 HydrophobicContact CG2-CD1 4.19Å
208	I	90.3	Very high	91.5	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.015	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	111.6	174.8	-57.8	167.4	0	0	0	107.3	F97 F176 T199 I200 S201 S206 S210 P395 A398 M399 L402	F97-I208 HydrophobicContact CE2-CG1 4.22Å; F97-I208 HydrophobicContact CE2-CG2 4.4Å; F176-I208 HydrophobicContact CD1-CD1 4.44Å; F176-I208 HydrophobicContact CE1-CD1 4.26Å; T199-I208 PolarHBondContact O-N 3.39Å; I200-I208 WeakPolarHBondContact CA-O 3.28Å; I200-I208 HydrophobicContact CB-CB 4.45Å; I200-I208 HydrophobicContact CD1-CD1 4.03Å; I200-I208 HydrophobicContact CG1-CB 4.09Å; I200-I208 HydrophobicContact CG1-CD1 3.91Å; I200-I208 HydrophobicContact CG1-CG1 4.44Å; I200-I208 HydrophobicContact CG2-CB 4.22Å; I200-I208 HydrophobicContact CG2-CG2 4.22Å; S201-I208 PolarHBondContact N-O 3.46Å; S206-I208 VanDerWaalsContact C-N 3.28Å; S206-I208 WeakPolarHBondContact CB-O 3.4Å; S206-I208 PolarHBondContact O-N 2.97Å; I208-S210 PolarHBondContact O-N 3.25Å; I208-P395 HydrophobicContact CG2-CB 3.81Å; I208-A398 HydrophobicContact CB-CB 4.47Å; I208-A398 HydrophobicContact CD1-CB 3.59Å; I208-A398 HydrophobicContact CG1-CB 3.76Å; I208-A398 HydrophobicContact CG2-CB 3.85Å; I208-M399 HydrophobicContact CD1-CG 3.8Å; I208-L402 HydrophobicContact CD1-CD1 3.91Å; I208-L402 HydrophobicContact CG1-CD1 4.17Å
209	Y	89.1	Confident	91.4	Very high	69 Å²	69	28.8 Å²	28.8	27%	0.271	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	118.8	173.7	177.5	-125.6	0	0	0	109.8	F202 L204 P211	F202-Y209 WeakPolarHBondContact O-CE2 3.45Å; L204-Y209 HydrophobicContact CD2-CD1 4.34Å; L204-Y209 HydrophobicContact CD2-CD2 4.04Å; L204-Y209 HydrophobicContact CD2-CE1 3.92Å; L204-Y209 HydrophobicContact CD2-CE2 3.57Å; L204-Y209 HydrophobicContact CD2-CG 4.38Å; L204-Y209 VanDerWaalsContact CD2-CZ 3.5Å; L204-Y209 HydrophobicContact CG-CE2 4.26Å; Y209-P211 HydrophobicContact CD1-CG 4.18Å; Y209-P211 HydrophobicContact CE1-CB 4.12Å; Y209-P211 HydrophobicContact CE1-CG 3.54Å; Y209-P211 HydrophobicContact CE2-CB 3.83Å; Y209-P211 HydrophobicContact CE2-CG 4.1Å; Y209-P211 WeakPolarHBondContact OH-CB 3.5Å
210	S	91.6	Very high	91	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.007	18%	0.175	C	C	.	.			trans	-134.1	80.5	-180	-176.9	0	0	0	0	108.7	Q180 S201 I208 S393	Q180-S210 PolarHBondContact NE2-O 3.38Å; Q180-S210 PolarHBondContact NE2-OG 3.49Å; Q180-S210 VanDerWaalsContact NE2-OG 3.16Å; Q180-S210 PolarHBondContact OE1-O 3.46Å; S201-S210 CarbonylContact C-O 3.48Å; S201-S210 PolarHBondContact O-N 3.24Å; I208-S210 PolarHBondContact O-N 3.25Å; S210-S393 PolarHBondContact OG-OG 3.1Å
211	P	92.8	Very high	90.7	Very high	12 Å²	12	45.4 Å²	45.4	8%	0.078	21%	0.21	C	C	.	.			trans	-77.2	164.3	179.7	34.1	-37.1	0	0	0	111.9	Y209 G213	Y209-P211 HydrophobicContact CD1-CG 4.18Å; Y209-P211 HydrophobicContact CE1-CB 4.12Å; Y209-P211 HydrophobicContact CE1-CG 3.54Å; Y209-P211 HydrophobicContact CE2-CB 3.83Å; Y209-P211 HydrophobicContact CE2-CG 4.1Å; Y209-P211 WeakPolarHBondContact OH-CB 3.5Å; P211-G213 WeakPolarHBondContact CB-O 3.44Å; P211-G213 PolarHBondContact O-N 3.41Å
212	Y	93.4	Very high	90.4	Very high	13 Å²	13	47.3 Å²	47.3	5%	0.051	22%	0.219	C	C	.	.	S	Bend	trans	-67.4	-22.6	171.1	-76.8	-114.8	0	0	0	112.6	Q180 F202 Y315 T317 E318 W391	Q180-Y212 HydrophobicContact CB-CE2 4.2Å; Q180-Y212 WeakPolarHBondContact O-CE2 3.38Å; Q180-Y212 PolarHBondContact O-OH 2.98Å; F202-Y212 HydrophobicContact CB-CD2 4.42Å; F202-Y212 HydrophobicContact CD1-CE2 4.4Å; Y212-Y315 HydrophobicContact CE2-CE2 4.35Å; Y212-T317 HydrophobicContact CD1-CG2 4.08Å; Y212-T317 HydrophobicContact CD2-CG2 4.26Å; Y212-T317 HydrophobicContact CE1-CG2 4.02Å; Y212-T317 HydrophobicContact CE2-CG2 4.24Å; Y212-T317 HydrophobicContact CG-CG2 4.24Å; Y212-E318 HydrophobicContact CD1-CB 4.45Å; Y212-E318 VanDerWaalsContact CD1-OE2 3.25Å; Y212-E318 WeakPolarHBondContact CD1-OE2 3.09Å; Y212-E318 WeakPolarHBondContact CE1-OE2 3.04Å; Y212-W391 AromaticContact CD1-CE3 3.9Å; Y212-W391 HydrophobicContact CD1-CE3 3.9Å; Y212-W391 HydrophobicContact CD1-CH2 4.17Å; Y212-W391 AromaticContact CD1-CZ3 3.23Å; Y212-W391 HydrophobicContact CD1-CZ3 3.23Å; Y212-W391 HydrophobicContact CD2-CZ3 4.37Å; Y212-W391 HydrophobicContact CE1-CE3 4.41Å; Y212-W391 AromaticContact CE1-CH2 3.92Å; Y212-W391 HydrophobicContact CE1-CH2 3.92Å; Y212-W391 AromaticContact CE1-CZ3 3.35Å; Y212-W391 HydrophobicContact CE1-CZ3 3.35Å; Y212-W391 HydrophobicContact CE2-CZ3 4.43Å; Y212-W391 HydrophobicContact CG-CE3 4.24Å; Y212-W391 AromaticContact CG-CZ3 3.77Å; Y212-W391 HydrophobicContact CG-CZ3 3.77Å; Y212-W391 AromaticContact CZ-CZ3 3.94Å; Y212-W391 PolarHBondContact O-N 2.76Å
213	G	93.2	Very high	90	Very high	2 Å²	2	48.5 Å²	48.5	2%	0.021	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.5	171	176.5	0	0	0	0	0	111.4	P211 Y321 H389	P211-G213 WeakPolarHBondContact CB-O 3.44Å; P211-G213 PolarHBondContact O-N 3.41Å; G213-Y321 VanDerWaalsContact C-CZ 3.49Å; G213-Y321 VanDerWaalsContact CA-CD2 3.49Å; G213-Y321 WeakPolarHBondContact O-CE2 3.33Å; G213-Y321 VanDerWaalsContact O-CZ 3.23Å; G213-Y321 PolarHBondContact O-OH 2.93Å; G213-H389 CarbonylContact C-O 3.59Å; G213-H389 WeakPolarHBondContact CA-O 3.29Å
214	S	92.7	Very high	89.7	Confident	41 Å²	41	50.5 Å²	50.5	29%	0.287	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	157.2	-179.3	57.1	0	0	0	0	111.5	I388 H389	S214-I388 WeakPolarHBondContact O-CA 3.41Å; S214-H389 PolarHBondContact N-O 2.81Å; S214-H389 PolarHBondContact O-N 2.77Å
215	Y	93.4	Very high	89.8	Confident	34 Å²	34	55.6 Å²	55.6	13%	0.133	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	127.2	168.7	173.8	-115.4	0	0	0	110.9	P217 P346 W382 H385 I387 I388	Y215-P217 HydrophobicContact CE1-CB 3.82Å; Y215-P217 HydrophobicContact CE1-CG 4.31Å; Y215-P346 HydrophobicContact CD1-CB 4.03Å; Y215-P346 HydrophobicContact CD1-CG 4.32Å; Y215-P346 HydrophobicContact CD2-CB 3.94Å; Y215-P346 HydrophobicContact CD2-CG 3.61Å; Y215-P346 HydrophobicContact CE1-CB 4.16Å; Y215-P346 HydrophobicContact CE2-CB 4.03Å; Y215-P346 HydrophobicContact CE2-CG 4.12Å; Y215-P346 HydrophobicContact CG-CB 3.91Å; Y215-P346 HydrophobicContact CG-CG 3.7Å; Y215-W382 HydrophobicContact CE2-CE3 4.07Å; Y215-H385 PolarHBondContact OH-O 3.13Å; Y215-I387 WeakPolarHBondContact CD2-O 3.22Å; Y215-I388 HydrophobicContact CD2-CD1 3.94Å; Y215-I388 HydrophobicContact CG-CD1 4.45Å
216	E	92	Very high	90	Very high	98 Å²	98	56.5 Å²	56.5	46%	0.458	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	110.1	170.5	-175.4	-176.6	174.5	0	0	109.6	G386 I387 H389	E216-G386 CarbonylContact O-C 3.58Å; E216-G386 WeakPolarHBondContact O-CA 3.36Å; E216-I387 HydrophobicContact CB-CG2 3.92Å; E216-I387 PolarHBondContact N-O 2.95Å; E216-I387 PolarHBondContact O-N 2.82Å; E216-H389 IonicContact OE2-CE1 3.45Å; E216-H389 IonicContact OE2-NE2 2.96Å; E216-H389 PolarHBondContact OE2-NE2 3.47Å; E216-H389 VanDerWaalsContact OE2-NE2 3.16Å
217	P	93.6	Very high	90.2	Very high	26 Å²	26	64.7 Å²	64.7	17%	0.169	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	138.5	173	29.7	-32.9	0	0	0	110.6	Y215 I219 H222	Y215-P217 HydrophobicContact CE1-CB 3.82Å; Y215-P217 HydrophobicContact CE1-CG 4.31Å; P217-I219 PolarHBondContact O-N 3.09Å; P217-H222 HydrophobicContact CB-CB 4.2Å
218	Y	94.4	Very high	90.4	Very high	147 Å²	147	65.9 Å²	65.9	58%	0.576	31%	0.313	S	S	*	.	S	Bend	trans	-63.7	-25.6	176.1	-60	-34.2	0	0	0	112.6	G384 H385 G386 I387	Y218-G384 WeakPolarHBondContact CE2-O 2.82Å; Y218-H385 VanDerWaalsContact CD2-C 3.44Å; Y218-H385 PolarHBondContact N-O 3.08Å; Y218-G386 PolarHBondContact OH-O 3.38Å; Y218-I387 HydrophobicContact CE1-CB 4.12Å; Y218-I387 HydrophobicContact CE1-CG2 4.24Å
219	I	92.7	Very high	90.6	Very high	71 Å²	71	69.8 Å²	69.8	36%	0.364	34%	0.338	S	S	.	.	S	Bend	trans	-104.6	107.8	172.8	-63.7	171.6	0	0	0	108.3	P217 H221 H222	P217-I219 PolarHBondContact O-N 3.09Å; I219-H221 WeakPolarHBondContact CG2-CE1 3.26Å; I219-H221 VanDerWaalsContact CG2-ND1 3.31Å; I219-H221 WeakPolarHBondContact CG2-ND1 3.43Å; I219-H221 WeakPolarHBondContact CG2-NE2 3.44Å; I219-H221 PolarHBondContact O-N 3.47Å; I219-H222 WeakPolarHBondContact CD1-CE1 3.25Å; I219-H222 VanDerWaalsContact CG2-CD2 3.43Å; I219-H222 WeakPolarHBondContact CG2-CD2 3.23Å; I219-H222 WeakPolarHBondContact CG2-NE2 3.4Å; I219-H222 WeakPolarHBondContact O-CB 3.45Å; I219-H222 PolarHBondContact O-N 2.94Å
220	K	84.4	Confident	90.9	Very high	193 Å²	193	70.8 Å²	70.8	84%	0.839	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-22.6	-170.8	-67.4	-172.3	177	-174.5	0	116
221	H	86.2	Confident	91	Very high	159 Å²	159	72 Å²	72	74%	0.736	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-3	-179.9	60.1	-95.7	0	0	0	113.4	I219	I219-H221 WeakPolarHBondContact CG2-CE1 3.26Å; I219-H221 VanDerWaalsContact CG2-ND1 3.31Å; I219-H221 WeakPolarHBondContact CG2-ND1 3.43Å; I219-H221 WeakPolarHBondContact CG2-NE2 3.44Å; I219-H221 PolarHBondContact O-N 3.47Å
222	H	87.5	Confident	91	Very high	43 Å²	43	77.9 Å²	77.9	20%	0.199	40%	0.397	C	S	.	.			trans	-71.4	136.1	172.4	-68.4	-174.9	0	0	0	110.2	P217 I219 T226 Y228	P217-H222 HydrophobicContact CB-CB 4.2Å; I219-H222 WeakPolarHBondContact CD1-CE1 3.25Å; I219-H222 VanDerWaalsContact CG2-CD2 3.43Å; I219-H222 WeakPolarHBondContact CG2-CD2 3.23Å; I219-H222 WeakPolarHBondContact CG2-NE2 3.4Å; I219-H222 WeakPolarHBondContact O-CB 3.45Å; I219-H222 PolarHBondContact O-N 2.94Å; H222-T226 WeakPolarHBondContact CA-OG1 3.31Å; H222-T226 HydrophobicContact CB-CG2 4.21Å; H222-Y228 WeakPolarHBondContact CB-OH 3.34Å; H222-Y228 AromaticContact CE1-CE1 3.69Å; H222-Y228 AromaticContact ND1-CE1 3.31Å; H222-Y228 VanDerWaalsContact ND1-CE1 3.31Å; H222-Y228 WeakPolarHBondContact ND1-CE1 3.38Å; H222-Y228 AromaticContact ND1-CZ 3.55Å; H222-Y228 PolarHBondContact ND1-OH 3.23Å
223	G	83.6	Confident	91	Very high	29 Å²	29	82.9 Å²	82.9	30%	0.299	42%	0.416	S	S	.	.			trans	-124.8	-175.9	-177.7	0	0	0	0	0	112.3	E225 T226 P347	G223-E225 PolarHBondContact O-N 3.35Å; G223-T226 PolarHBondContact N-OG1 2.72Å; G223-T226 VanDerWaalsContact N-OG1 3.08Å; G223-T226 VanDerWaalsContact O-CB 3.31Å; G223-T226 WeakPolarHBondContact O-CB 3.46Å; G223-T226 PolarHBondContact O-N 3.44Å; G223-T226 PolarHBondContact O-OG1 3.41Å; G223-P347 VanDerWaalsContact O-CG 3.25Å; G223-P347 WeakPolarHBondContact O-CG 2.97Å
224	P	84.1	Confident	91.2	Very high	67 Å²	67	85.4 Å²	85.4	44%	0.435	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-26.8	-178.8	-28.4	36.6	0	0	0	114.7	E342 P347	P224-E342 WeakPolarHBondContact CB-O 3.45Å; P224-E342 WeakPolarHBondContact CG-O 3.26Å; P224-P347 VanDerWaalsContact O-CB 3.3Å; P224-P347 WeakPolarHBondContact O-CB 3.28Å
225	E	86.9	Confident	91.4	Very high	142 Å²	142	83.5 Å²	83.5	66%	0.664	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-6.3	179.9	-64.4	-65.1	177.8	0	0	114.3	G223 R227 Y348	G223-E225 PolarHBondContact O-N 3.35Å; E225-R227 PolarHBondContact O-N 3.47Å; E225-Y348 PolarHBondContact OE2-OH 3.06Å
226	T	90.2	Very high	91.6	Very high	33 Å²	33	82 Å²	82	20%	0.202	41%	0.411	C	S	.	.			trans	-63.6	124.2	-178.3	-63	0	0	0	0	110.7	H222 G223 Y228 P347	H222-T226 WeakPolarHBondContact CA-OG1 3.31Å; H222-T226 HydrophobicContact CB-CG2 4.21Å; G223-T226 PolarHBondContact N-OG1 2.72Å; G223-T226 VanDerWaalsContact N-OG1 3.08Å; G223-T226 VanDerWaalsContact O-CB 3.31Å; G223-T226 WeakPolarHBondContact O-CB 3.46Å; G223-T226 PolarHBondContact O-N 3.44Å; G223-T226 PolarHBondContact O-OG1 3.41Å; T226-Y228 HydrophobicContact CG2-CD1 4.08Å; T226-Y228 HydrophobicContact CG2-CD2 4.42Å; T226-Y228 HydrophobicContact CG2-CE1 3.61Å; T226-Y228 HydrophobicContact CG2-CE2 3.99Å; T226-Y228 HydrophobicContact CG2-CG 4.46Å; T226-P347 VanDerWaalsContact O-CB 3.29Å; T226-P347 WeakPolarHBondContact O-CB 3.32Å
227	R	92.4	Very high	91.8	Very high	174 Å²	174	81.5 Å²	81.5	66%	0.657	42%	0.417	S	S	*	.			trans	-97.2	107.6	175.5	-64.4	-65.6	-169.5	144.2	1.4	110.1	E225 Y348	E225-R227 PolarHBondContact O-N 3.47Å; R227-Y348 VanDerWaalsContact CD-CE2 3.48Å; R227-Y348 VanDerWaalsContact CZ-OH 3.28Å; R227-Y348 PolarHBondContact NE-OH 2.85Å; R227-Y348 PolarHBondContact NH2-OH 2.84Å
228	Y	93.9	Very high	91.9	Very high	26 Å²	26	83.4 Å²	83.4	10%	0.102	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-83.3	155.4	176.7	-64	-67.9	0	0	0	112.1	H222 T226 P347 A381 W382 H385	H222-Y228 WeakPolarHBondContact CB-OH 3.34Å; H222-Y228 AromaticContact CE1-CE1 3.69Å; H222-Y228 AromaticContact ND1-CE1 3.31Å; H222-Y228 VanDerWaalsContact ND1-CE1 3.31Å; H222-Y228 WeakPolarHBondContact ND1-CE1 3.38Å; H222-Y228 AromaticContact ND1-CZ 3.55Å; H222-Y228 PolarHBondContact ND1-OH 3.23Å; T226-Y228 HydrophobicContact CG2-CD1 4.08Å; T226-Y228 HydrophobicContact CG2-CD2 4.42Å; T226-Y228 HydrophobicContact CG2-CE1 3.61Å; T226-Y228 HydrophobicContact CG2-CE2 3.99Å; T226-Y228 HydrophobicContact CG2-CG 4.46Å; Y228-P347 HydrophobicContact CE2-CB 4.37Å; Y228-P347 HydrophobicContact CE2-CG 3.95Å; Y228-A381 WeakPolarHBondContact CB-O 2.67Å; Y228-W382 HydrophobicContact CD2-CB 4.05Å; Y228-W382 HydrophobicContact CE2-CB 4.24Å; Y228-H385 HydrophobicContact CD1-CB 3.66Å; Y228-H385 AromaticContact CD1-CD2 3.59Å; Y228-H385 AromaticContact CD1-CE1 3.95Å; Y228-H385 AromaticContact CD1-CG 3.3Å; Y228-H385 AromaticContact CD1-ND1 3.56Å; Y228-H385 AromaticContact CD1-NE2 3.98Å; Y228-H385 HydrophobicContact CD2-CB 4.45Å; Y228-H385 HydrophobicContact CE1-CB 3.4Å; Y228-H385 VanDerWaalsContact CE1-CB 3.4Å; Y228-H385 AromaticContact CE1-CG 3.55Å; Y228-H385 AromaticContact CE1-ND1 3.8Å; Y228-H385 HydrophobicContact CE2-CB 4.25Å; Y228-H385 HydrophobicContact CG-CB 4.17Å; Y228-H385 AromaticContact CG-CD2 3.8Å; Y228-H385 AromaticContact CG-CG 3.89Å
229	P	94.5	Very high	92.1	Very high	85 Å²	85	77.1 Å²	77.1	55%	0.552	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-63.8	157.9	168.3	29.4	-35.3	0	0	0	111.1	A381	P229-A381 WeakPolarHBondContact O-CB 3.38Å
230	L	94.5	Very high	92.3	Very high	90 Å²	90	78.3 Å²	78.3	47%	0.471	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-60.1	145.7	174.9	-72.1	177.1	0	0	0	111.4	T374 N377 E378	L230-T374 HydrophobicContact CD1-CG2 4.11Å; L230-N377 HydrophobicContact CD2-CB 4.42Å; L230-E378 HydrophobicContact CD2-CB 4.27Å; L230-E378 HydrophobicContact CD2-CG 3.72Å
231	P	94	Very high	93	Very high	26 Å²	26	72.7 Å²	72.7	17%	0.169	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-63.5	146.2	175.7	28.6	-34.5	0	0	0	110.4	R233 I235 N377 F380	P231-R233 PolarHBondContact O-N 3.39Å; P231-I235 HydrophobicContact CG-CD1 4.27Å; P231-N377 HydrophobicContact CG-CB 4.15Å; P231-F380 HydrophobicContact CG-CB 4.4Å
232	S	92.4	Very high	93.5	Very high	137 Å²	137	68 Å²	68	96%	0.958	39%	0.385	S	S	*	.	S	Bend	trans	-65.9	-26.4	177.7	55.6	0	0	0	0	113.1
233	R	95.1	Very high	94.1	Very high	117 Å²	117	66 Å²	66	44%	0.442	38%	0.376	S	S	.	.	S	Bend	trans	-100	133.7	176.7	-177	175.7	66.7	103.1	-0.6	110.1	P231 I235 E328 N377	P231-R233 PolarHBondContact O-N 3.39Å; R233-I235 PolarHBondContact O-N 3.16Å; R233-I235 VanDerWaalsContact O-N 3.15Å; R233-E328 IonicContact CZ-OE1 3.88Å; R233-E328 IonicContact CZ-OE2 3.63Å; R233-E328 IonicContact NH1-OE2 3.55Å; R233-E328 IonicContact NH2-OE1 2.67Å; R233-E328 PolarHBondContact NH2-OE1 2.82Å; R233-E328 IonicContact NH2-OE2 2.77Å; R233-E328 PolarHBondContact NH2-OE2 2.87Å; R233-N377 PolarHBondContact O-OD1 2.62Å
234	N	96.6	Very high	94.7	Very high	56 Å²	56	64.6 Å²	64.6	30%	0.299	36%	0.362	S	S	.	.			trans	-71.4	103.8	167.5	179.7	1.7	0	0	0	110.1	A236 S237 D373 N377	N234-A236 VanDerWaalsContact C-N 3.26Å; N234-A236 PolarHBondContact O-N 2.83Å; N234-A236 WeakPolarHBondContact OD1-CA 3.31Å; N234-A236 VanDerWaalsContact OD1-CB 3.23Å; N234-A236 WeakPolarHBondContact OD1-CB 3.38Å; N234-A236 PolarHBondContact OD1-N 3.49Å; N234-S237 VanDerWaalsContact O-CB 3.22Å; N234-S237 WeakPolarHBondContact O-CB 3.2Å; N234-S237 PolarHBondContact O-N 2.96Å; N234-S237 PolarHBondContact OD1-N 3.12Å; N234-D373 PolarHBondContact ND2-OD2 2.95Å; N234-N377 PolarHBondContact OD1-ND2 3.39Å
235	I	96.6	Very high	95.3	Very high	1 Å²	1	61.5 Å²	61.5	1%	0.005	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-24.9	179.7	-69.2	164.2	0	0	0	111.7	P231 R233 S237 K239 E328 Y376 N377 F380	P231-I235 HydrophobicContact CG-CD1 4.27Å; R233-I235 PolarHBondContact O-N 3.16Å; R233-I235 VanDerWaalsContact O-N 3.15Å; I235-S237 PolarHBondContact O-N 3.33Å; I235-K239 VanDerWaalsContact O-CD 3.27Å; I235-K239 WeakPolarHBondContact O-CD 3.36Å; I235-K239 WeakPolarHBondContact O-CE 3.46Å; I235-E328 HydrophobicContact CG2-CB 3.98Å; I235-Y376 HydrophobicContact CB-CE1 4.44Å; I235-Y376 HydrophobicContact CG2-CE1 4.15Å; I235-N377 PolarHBondContact N-OD1 2.77Å; I235-F380 HydrophobicContact CD1-CB 3.29Å; I235-F380 HydrophobicContact CD1-CD1 3.73Å; I235-F380 HydrophobicContact CD1-CD2 4.29Å; I235-F380 HydrophobicContact CD1-CG 3.52Å; I235-F380 HydrophobicContact CG2-CD1 4.31Å; I235-F380 HydrophobicContact CG2-CD2 4.33Å; I235-F380 HydrophobicContact CG2-CE1 4.2Å; I235-F380 HydrophobicContact CG2-CE2 4.23Å; I235-F380 HydrophobicContact CG2-CG 4.36Å; I235-F380 HydrophobicContact CG2-CZ 4.13Å
236	A	97.4	Very high	95.7	Very high	3 Å²	3	55.6 Å²	55.6	3%	0.025	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-21.9	174.8	0	0	0	0	0	113	N234 G238 K239 D373 Y376	N234-A236 VanDerWaalsContact C-N 3.26Å; N234-A236 PolarHBondContact O-N 2.83Å; N234-A236 WeakPolarHBondContact OD1-CA 3.31Å; N234-A236 VanDerWaalsContact OD1-CB 3.23Å; N234-A236 WeakPolarHBondContact OD1-CB 3.38Å; N234-A236 PolarHBondContact OD1-N 3.49Å; A236-G238 PolarHBondContact O-N 2.94Å; A236-K239 WeakPolarHBondContact O-CB 3.38Å; A236-K239 PolarHBondContact O-N 2.76Å; A236-D373 HydrophobicContact CB-CB 4.37Å; A236-Y376 HydrophobicContact CB-CD1 3.6Å; A236-Y376 HydrophobicContact CB-CE1 3.9Å; A236-Y376 HydrophobicContact CB-CG 4.34Å
237	S	96.9	Very high	95.8	Very high	86 Å²	86	54.1 Å²	54.1	60%	0.601	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	130.4	-173	-166.6	0	0	0	0	112	N234 I235 K239	N234-S237 VanDerWaalsContact O-CB 3.22Å; N234-S237 WeakPolarHBondContact O-CB 3.2Å; N234-S237 PolarHBondContact O-N 2.96Å; N234-S237 PolarHBondContact OD1-N 3.12Å; I235-S237 PolarHBondContact O-N 3.33Å; S237-K239 VanDerWaalsContact C-N 3.27Å; S237-K239 PolarHBondContact O-N 3.5Å
238	G	96.2	Very high	95.7	Very high	67 Å²	67	48.3 Å²	48.3	69%	0.691	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.7	-20.2	-179.3	0	0	0	0	0	115.2	A236 S240	A236-G238 PolarHBondContact O-N 2.94Å; G238-S240 PolarHBondContact O-N 3.05Å
239	K	98.2	Very high	95.6	Very high	14 Å²	14	49.5 Å²	49.5	6%	0.061	30%	0.299	C	S	.	.			trans	-77.4	113.8	179.2	-62.9	163.4	179.1	-76.1	0	110.4	I235 A236 S237 R298 N300 Y301 K302 E328	I235-K239 VanDerWaalsContact O-CD 3.27Å; I235-K239 WeakPolarHBondContact O-CD 3.36Å; I235-K239 WeakPolarHBondContact O-CE 3.46Å; A236-K239 WeakPolarHBondContact O-CB 3.38Å; A236-K239 PolarHBondContact O-N 2.76Å; S237-K239 VanDerWaalsContact C-N 3.27Å; S237-K239 PolarHBondContact O-N 3.5Å; K239-R298 WeakPolarHBondContact CE-O 3.22Å; K239-R298 PolarHBondContact NZ-O 3.13Å; K239-N300 CarbonylContact C-O 3.53Å; K239-Y301 VanDerWaalsContact CD-O 3.23Å; K239-Y301 WeakPolarHBondContact CD-O 3.38Å; K239-Y301 PolarHBondContact NZ-O 2.87Å; K239-K302 HydrophobicContact CB-CG 3.81Å; K239-K302 HydrophobicContact CD-CG 4.08Å; K239-E328 WeakPolarHBondContact CE-O 3.45Å; K239-E328 PolarHBondContact NZ-O 2.99Å
240	S	96.8	Very high	95.6	Very high	96 Å²	96	48 Å²	48	67%	0.671	29%	0.29	S	S	*	.			trans	-101.5	-17.9	-178.8	58.9	0	0	0	0	114	G238 N300	G238-S240 PolarHBondContact O-N 3.05Å; S240-N300 PolarHBondContact N-O 3.28Å; S240-N300 VanDerWaalsContact N-O 3.14Å
241	K	98.2	Very high	95.6	Very high	75 Å²	75	50.9 Å²	50.9	33%	0.326	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	153.8	-179.4	-58.8	-171.6	171.8	-160.3	0	111.1	D270 N300 Y301 K302	K241-D270 IonicContact NZ-OD2 3.07Å; K241-D270 PolarHBondContact NZ-OD2 3.25Å; K241-N300 WeakPolarHBondContact CA-O 3.35Å; K241-N300 WeakPolarHBondContact CB-O 3.44Å; K241-N300 HydrophobicContact CD-CB 4.39Å; K241-N300 PolarHBondContact N-O 3.27Å; K241-Y301 HydrophobicContact CB-CD1 3.41Å; K241-Y301 VanDerWaalsContact CB-CD1 3.41Å; K241-Y301 HydrophobicContact CB-CD2 4.29Å; K241-Y301 HydrophobicContact CB-CE1 3.49Å; K241-Y301 VanDerWaalsContact CB-CE1 3.49Å; K241-Y301 HydrophobicContact CB-CE2 4.39Å; K241-Y301 HydrophobicContact CB-CG 3.83Å; K241-Y301 HydrophobicContact CD-CD1 4.2Å; K241-Y301 HydrophobicContact CD-CD2 4.25Å; K241-Y301 HydrophobicContact CD-CE1 3.51Å; K241-Y301 HydrophobicContact CD-CE2 3.62Å; K241-Y301 VanDerWaalsContact CD-OH 3.25Å; K241-Y301 WeakPolarHBondContact CD-OH 3.3Å; K241-Y301 HydrophobicContact CG-CD1 4.49Å; K241-Y301 HydrophobicContact CG-CE1 4.19Å; K241-Y301 PolarHBondContact NZ-OH 3.4Å; K241-Y301 WeakPolarHBondContact O-CA 3.37Å; K241-K302 PolarHBondContact O-N 3.3Å; K241-K302 VanDerWaalsContact O-N 3.1Å
242	K	98.4	Very high	95.6	Very high	60 Å²	60	50.6 Å²	50.6	26%	0.261	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-86.2	-173.2	-63.6	172.2	-174.6	162.7	0	110.7	I267 K302 F303 D370	K242-I267 HydrophobicContact CB-CD1 4.13Å; K242-I267 HydrophobicContact CB-CG1 4.16Å; K242-I267 HydrophobicContact CD-CD1 3.88Å; K242-I267 HydrophobicContact CD-CG1 3.61Å; K242-I267 HydrophobicContact CG-CD1 4.45Å; K242-I267 HydrophobicContact CG-CG1 4.48Å; K242-K302 PolarHBondContact O-N 2.85Å; K242-F303 HydrophobicContact CB-CD2 4.37Å; K242-F303 WeakPolarHBondContact O-CD2 3.15Å; K242-F303 PolarHBondContact O-N 2.96Å; K242-D370 WeakPolarHBondContact CE-OD2 3.28Å
243	V	98.8	Very high	95.6	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.006	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	132.8	-170.6	-172.2	0	0	0	0	110	I267 S268 V269 D270 F303 L305 I332 L366	V243-I267 HydrophobicContact CG2-CD1 4.14Å; V243-I267 HydrophobicContact CG2-CG1 4.44Å; V243-I267 HydrophobicContact CG2-CG2 4.32Å; V243-S268 PolarHBondContact N-O 2.6Å; V243-V269 HydrophobicContact CB-CB 4.46Å; V243-V269 HydrophobicContact CB-CG1 4.46Å; V243-V269 HydrophobicContact CB-CG2 4.06Å; V243-V269 HydrophobicContact CG1-CG1 4.1Å; V243-V269 HydrophobicContact CG1-CG2 4.18Å; V243-V269 HydrophobicContact CG2-CG2 4.49Å; V243-V269 WeakPolarHBondContact O-CA 3.43Å; V243-D270 PolarHBondContact O-N 3.26Å; V243-F303 WeakPolarHBondContact CA-O 3.32Å; V243-F303 HydrophobicContact CG2-CB 4.11Å; V243-F303 HydrophobicContact CG2-CD2 4.07Å; V243-F303 HydrophobicContact CG2-CG 4.5Å; V243-L305 HydrophobicContact CG1-CD1 4.23Å; V243-L305 HydrophobicContact CG1-CD2 3.61Å; V243-L305 HydrophobicContact CG1-CG 3.55Å; V243-I332 HydrophobicContact CG1-CD1 4.44Å; V243-I332 HydrophobicContact CG2-CD1 4.49Å; V243-L366 HydrophobicContact CG2-CD1 4.09Å
244	A	97.3	Very high	95.5	Very high	0 Å²	0	46 Å²	46	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	159	161.1	0	0	0	0	0	112.2	F246 D270 Y272 M297 Y301 F303 Y304 L305	A244-F246 HydrophobicContact CB-CE2 4.31Å; A244-D270 CarbonylContact C-O 3.53Å; A244-D270 VanDerWaalsContact CA-O 3.3Å; A244-D270 WeakPolarHBondContact CA-O 3.45Å; A244-Y272 HydrophobicContact CB-CE2 4.41Å; A244-M297 HydrophobicContact CB-CE 3.12Å; A244-M297 HydrophobicContact CB-SD 3.44Å; A244-M297 WeakPolarHBondContact CB-SD 3.06Å; A244-Y301 HydrophobicContact CB-CD1 3.73Å; A244-Y301 HydrophobicContact CB-CD2 4.36Å; A244-Y301 HydrophobicContact CB-CE1 3.71Å; A244-Y301 HydrophobicContact CB-CE2 4.31Å; A244-Y301 HydrophobicContact CB-CG 4.05Å; A244-F303 PolarHBondContact N-O 2.77Å; A244-Y304 WeakPolarHBondContact O-CA 3.46Å; A244-L305 PolarHBondContact O-N 3.36Å
245	W	96.7	Very high	95.5	Very high	3 Å²	3	44.8 Å²	44.8	1%	0.011	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	128.7	176.3	-173.1	29.6	0	0	0	111.6	V247 R256 M257 A260 V269 D270 I271 Y272 L305 F307	W245-V247 HydrophobicContact CD2-CB 4.17Å; W245-V247 HydrophobicContact CD2-CG1 3.73Å; W245-V247 HydrophobicContact CE3-CG1 3.84Å; W245-V247 HydrophobicContact CG-CG1 4.29Å; W245-V247 HydrophobicContact CH2-CG1 4.22Å; W245-V247 HydrophobicContact CH2-CG2 4.37Å; W245-V247 HydrophobicContact CZ2-CB 4.03Å; W245-V247 HydrophobicContact CZ2-CG1 4.11Å; W245-V247 HydrophobicContact CZ2-CG2 3.93Å; W245-V247 HydrophobicContact CZ3-CG1 4.06Å; W245-R256 HydrophobicContact CH2-CG 4.4Å; W245-R256 HydrophobicContact CZ2-CB 4.25Å; W245-R256 HydrophobicContact CZ2-CG 4.07Å; W245-M257 HydrophobicContact CH2-CE 4.26Å; W245-M257 HydrophobicContact CH2-SD 3.45Å; W245-M257 WeakPolarHBondContact CH2-SD 3.35Å; W245-M257 HydrophobicContact CZ2-SD 4.26Å; W245-M257 HydrophobicContact CZ3-CE 4.35Å; W245-M257 HydrophobicContact CZ3-SD 4.12Å; W245-A260 HydrophobicContact CD2-CB 4.38Å; W245-A260 HydrophobicContact CE3-CB 3.56Å; W245-A260 HydrophobicContact CH2-CB 3.58Å; W245-A260 HydrophobicContact CZ2-CB 4.4Å; W245-A260 HydrophobicContact CZ3-CB 3.11Å; W245-V269 HydrophobicContact CB-CG1 4.37Å; W245-D270 PolarHBondContact N-O 2.83Å; W245-I271 HydrophobicContact CE3-CD1 4.12Å; W245-I271 HydrophobicContact CE3-CG1 4.19Å; W245-I271 HydrophobicContact CE3-CG2 3.96Å; W245-I271 HydrophobicContact CZ3-CD1 4.43Å; W245-I271 WeakPolarHBondContact O-CA 3.43Å; W245-Y272 PolarHBondContact O-N 3.49Å; W245-L305 HydrophobicContact CB-CB 3.89Å; W245-L305 HydrophobicContact CB-CD1 3.89Å; W245-L305 HydrophobicContact CB-CG 4.07Å; W245-L305 VanDerWaalsContact CD1-CB 3.49Å; W245-L305 VanDerWaalsContact CD1-O 3.25Å; W245-L305 HydrophobicContact CD2-CB 4.4Å; W245-L305 HydrophobicContact CD2-CD1 4.02Å; W245-L305 HydrophobicContact CE3-CD1 4.29Å; W245-L305 HydrophobicContact CG-CB 3.68Å; W245-L305 HydrophobicContact CG-CD1 3.88Å; W245-L305 HydrophobicContact CG-CG 4.21Å; W245-F307 HydrophobicContact CZ2-CB 4.48Å; W245-F307 HydrophobicContact CZ2-CD2 4.26Å
246	F	93.5	Very high	95.5	Very high	17 Å²	17	45.2 Å²	45.2	8%	0.075	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	117.1	179.2	-76.5	-119.8	0	0	0	108.9	A244 Y272 C280 T288 C293 M296 M297 Y304	A244-F246 HydrophobicContact CB-CE2 4.31Å; F246-Y272 WeakPolarHBondContact CA-O 3.4Å; F246-Y272 HydrophobicContact CD2-CD2 4.1Å; F246-Y272 HydrophobicContact CD2-CG 4.26Å; F246-Y272 HydrophobicContact CE1-CD1 4.42Å; F246-Y272 HydrophobicContact CE1-CG 4.1Å; F246-Y272 HydrophobicContact CE2-CD1 4.49Å; F246-Y272 AromaticContact CE2-CD2 3.5Å; F246-Y272 HydrophobicContact CE2-CD2 3.5Å; F246-Y272 VanDerWaalsContact CE2-CD2 3.5Å; F246-Y272 HydrophobicContact CE2-CE2 4.12Å; F246-Y272 AromaticContact CE2-CG 3.72Å; F246-Y272 HydrophobicContact CE2-CG 3.72Å; F246-Y272 HydrophobicContact CZ-CD1 4.03Å; F246-Y272 AromaticContact CZ-CD2 3.87Å; F246-Y272 HydrophobicContact CZ-CD2 3.87Å; F246-Y272 HydrophobicContact CZ-CE2 4.4Å; F246-Y272 AromaticContact CZ-CG 3.66Å; F246-Y272 HydrophobicContact CZ-CG 3.66Å; F246-C280 VanDerWaalsContact CE1-SG 3.58Å; F246-T288 WeakPolarHBondContact CD1-O 3.01Å; F246-T288 WeakPolarHBondContact CE1-O 3.29Å; F246-C293 HydrophobicContact CE1-CB 4.16Å; F246-C293 HydrophobicContact CZ-CB 4.44Å; F246-M296 HydrophobicContact CZ-CE 4.41Å; F246-M297 HydrophobicContact CE2-CG 3.73Å; F246-M297 HydrophobicContact CE2-SD 3.51Å; F246-M297 VanDerWaalsContact CE2-SD 3.51Å; F246-M297 HydrophobicContact CZ-CG 3.83Å; F246-M297 HydrophobicContact CZ-SD 3.99Å; F246-Y304 HydrophobicContact CB-CE2 4.34Å; F246-Y304 AromaticContact CD2-CE2 3.77Å; F246-Y304 HydrophobicContact CD2-CE2 3.77Å; F246-Y304 HydrophobicContact CG-CE2 4.34Å
247	V	93.5	Very high	95.4	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.018	28%	0.276	C	S	.	.			trans	-150	126	-170.6	55.3	0	0	0	0	111.1	W245 M257 I271 Y272 G273 E274 C275	W245-V247 HydrophobicContact CD2-CB 4.17Å; W245-V247 HydrophobicContact CD2-CG1 3.73Å; W245-V247 HydrophobicContact CE3-CG1 3.84Å; W245-V247 HydrophobicContact CG-CG1 4.29Å; W245-V247 HydrophobicContact CH2-CG1 4.22Å; W245-V247 HydrophobicContact CH2-CG2 4.37Å; W245-V247 HydrophobicContact CZ2-CB 4.03Å; W245-V247 HydrophobicContact CZ2-CG1 4.11Å; W245-V247 HydrophobicContact CZ2-CG2 3.93Å; W245-V247 HydrophobicContact CZ3-CG1 4.06Å; V247-M257 HydrophobicContact CG2-SD 4.3Å; V247-I271 HydrophobicContact CG1-CG2 3.67Å; V247-Y272 PolarHBondContact N-O 2.78Å; V247-G273 CarbonylContact O-C 3.36Å; V247-E274 PolarHBondContact O-N 2.81Å; V247-C275 HydrophobicContact CG1-CB 3.85Å; V247-C275 HydrophobicContact CG2-CB 4.32Å; V247-C275 PolarHBondContact O-N 3.44Å
248	S	91	Very high	95.4	Very high	51 Å²	51	48.2 Å²	48.2	36%	0.357	27%	0.27	S	S	.	.			trans	-111.7	-35	174.4	51.1	0	0	0	0	112.6	C250 C275	S248-C250 PolarHBondContact O-N 3.47Å; S248-C250 VanDerWaalsContact O-N 3.08Å; S248-C250 PolarHBondContact O-SG 2.86Å; S248-C275 VanDerWaalsContact C-SG 3.5Å; S248-C275 PolarHBondContact O-SG 3.05Å
249	N	91.6	Very high	95.5	Very high	52 Å²	52	45.1 Å²	45.1	28%	0.278	24%	0.238	S	C	.	.			trans	-79	95.4	175.6	173.3	9.4	0	0	0	111.5	I251 R256	N249-I251 VanDerWaalsContact C-N 3.34Å; N249-I251 PolarHBondContact O-N 3.41Å; N249-I251 PolarHBondContact OD1-N 3.22Å; N249-I251 PolarHBondContact OD1-O 3.19Å; N249-R256 PolarHBondContact O-NH2 2.73Å
250	C	94.2	Very high	95.5	Very high	53 Å²	53	44.4 Å²	44.4	36%	0.358	24%	0.235	S	C	.	.	S	Bend	trans	-82.3	-8.8	-174.5	-45.1	0	0	0	0	114.7	S248 P252 C275	S248-C250 PolarHBondContact O-N 3.47Å; S248-C250 VanDerWaalsContact O-N 3.08Å; S248-C250 PolarHBondContact O-SG 2.86Å; C250-P252 VanDerWaalsContact O-CD 3.31Å; C250-P252 WeakPolarHBondContact O-CD 3.14Å; C250-C275 WeakPolarHBondContact CA-SG 3.38Å; C250-C275 HydrophobicContact CB-CB 3.86Å; C250-C275 WeakPolarHBondContact CB-SG 3.41Å; C250-C275 PolarHBondContact N-SG 3.13Å; C250-C275 WeakPolarHBondContact SG-CA 3.24Å; C250-C275 WeakPolarHBondContact SG-CB 3.45Å; C250-C275 CovalentContact SG-SG 2.04Å; C250-C275 PolarHBondContact SG-SG 3.28Å
251	I	93.8	Very high	95.6	Very high	151 Å²	151	46.6 Å²	46.6	77%	0.774	23%	0.232	S	C	*	.	S	Bend	trans	-122.9	61.5	178.1	-45.8	177.1	0	0	0	108.8	N249	N249-I251 VanDerWaalsContact C-N 3.34Å; N249-I251 PolarHBondContact O-N 3.41Å; N249-I251 PolarHBondContact OD1-N 3.22Å; N249-I251 PolarHBondContact OD1-O 3.19Å
252	P	93.3	Very high	95.6	Very high	20 Å²	20	45.4 Å²	45.4	13%	0.13	23%	0.227	C	C	.	.			trans	-70	163.9	179.8	32.4	-36.3	0	0	0	111.4	C250 S254 R256 M257 N309	C250-P252 VanDerWaalsContact O-CD 3.31Å; C250-P252 WeakPolarHBondContact O-CD 3.14Å; P252-S254 VanDerWaalsContact C-N 3.34Å; P252-S254 WeakPolarHBondContact CG-O 3.13Å; P252-R256 HydrophobicContact CB-CG 4.01Å; P252-R256 VanDerWaalsContact CB-NE 3.32Å; P252-R256 HydrophobicContact CG-CG 3.52Å; P252-M257 HydrophobicContact CG-CG 3.76Å; P252-N309 HydrophobicContact CB-CB 4.41Å
253	K	93.1	Very high	95.6	Very high	152 Å²	152	42.5 Å²	42.5	66%	0.661	22%	0.215	S	C	*	.	S	Bend	trans	-85.7	-11.7	171.7	-61.6	-60.7	-174.6	-179.8	0	112.4	V184 N309	V184-K253 HydrophobicContact CB-CB 4.45Å; V184-K253 HydrophobicContact CB-CG 4.24Å; V184-K253 HydrophobicContact CG2-CB 4.01Å; V184-K253 HydrophobicContact CG2-CG 4.04Å; K253-N309 PolarHBondContact N-O 2.76Å; K253-N309 VanDerWaalsContact N-O 3.11Å
254	S	94.4	Very high	95.6	Very high	5 Å²	5	45 Å²	45	4%	0.035	23%	0.232	C	C	.	.	S	Bend	trans	-89.1	159.1	169	69.4	0	0	0	0	112.4	P252 R256 E308 N309	P252-S254 VanDerWaalsContact C-N 3.34Å; P252-S254 WeakPolarHBondContact CG-O 3.13Å; S254-R256 PolarHBondContact O-N 2.9Å; S254-R256 VanDerWaalsContact O-N 3.08Å; S254-R256 WeakPolarHBondContact OG-CD 3.42Å; S254-R256 WeakPolarHBondContact OG-CG 3.29Å; S254-E308 WeakPolarHBondContact CB-O 3.29Å; S254-E308 PolarHBondContact OG-O 3Å; S254-N309 PolarHBondContact N-O 3.04Å; S254-N309 VanDerWaalsContact N-O 3.08Å; S254-N309 PolarHBondContact OG-O 3.36Å
255	P	95.2	Very high	95.6	Very high	31 Å²	31	53.2 Å²	53.2	20%	0.201	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	21.3	177.5	35.4	-38	0	0	0	113.6	M257 Q258 Y259 L311 M334 L430	P255-M257 VanDerWaalsContact C-N 3.26Å; P255-M257 PolarHBondContact O-N 3.38Å; P255-Q258 PolarHBondContact O-N 2.71Å; P255-Q258 VanDerWaalsContact O-N 3.13Å; P255-Q258 PolarHBondContact O-OE1 3.45Å; P255-Q258 VanDerWaalsContact O-OE1 3.07Å; P255-Y259 PolarHBondContact O-N 2.81Å; P255-L311 HydrophobicContact CG-CD1 4.33Å; P255-M334 HydrophobicContact CG-SD 4.45Å; P255-L430 HydrophobicContact CG-CD1 3.41Å; P255-L430 VanDerWaalsContact CG-CD1 3.41Å; P255-L430 HydrophobicContact CG-CG 4.25Å
256	R	96.4	Very high	95.7	Very high	9 Å²	9	56 Å²	56	3%	0.034	28%	0.276	C	S	.	.	H	α-helix	trans	-60.4	-32.6	-172.3	66.7	179.9	-169.4	166.4	-3.1	113.6	W245 N249 P252 S254 A260 F307 E308 M334	W245-R256 HydrophobicContact CH2-CG 4.4Å; W245-R256 HydrophobicContact CZ2-CB 4.25Å; W245-R256 HydrophobicContact CZ2-CG 4.07Å; N249-R256 PolarHBondContact O-NH2 2.73Å; P252-R256 HydrophobicContact CB-CG 4.01Å; P252-R256 VanDerWaalsContact CB-NE 3.32Å; P252-R256 HydrophobicContact CG-CG 3.52Å; S254-R256 PolarHBondContact O-N 2.9Å; S254-R256 VanDerWaalsContact O-N 3.08Å; S254-R256 WeakPolarHBondContact OG-CD 3.42Å; S254-R256 WeakPolarHBondContact OG-CG 3.29Å; R256-A260 VanDerWaalsContact O-CB 3.23Å; R256-A260 WeakPolarHBondContact O-CB 3.3Å; R256-A260 PolarHBondContact O-N 2.99Å; R256-F307 HydrophobicContact CB-CB 3.82Å; R256-F307 HydrophobicContact CB-CD2 3.87Å; R256-F307 HydrophobicContact CB-CG 4.25Å; R256-F307 PolarHBondContact NH1-O 2.99Å; R256-E308 WeakPolarHBondContact CD-O 3.11Å; R256-M334 HydrophobicContact CB-SD 4Å
257	M	96.9	Very high	96	Very high	50 Å²	50	55.5 Å²	55.5	25%	0.246	27%	0.274	C	S	.	.	H	α-helix	trans	-68.7	-43.4	177.2	-62.6	-54.9	-60.7	0	0	111.1	W245 V247 P252 P255 K261 C275	W245-M257 HydrophobicContact CH2-CE 4.26Å; W245-M257 HydrophobicContact CH2-SD 3.45Å; W245-M257 WeakPolarHBondContact CH2-SD 3.35Å; W245-M257 HydrophobicContact CZ2-SD 4.26Å; W245-M257 HydrophobicContact CZ3-CE 4.35Å; W245-M257 HydrophobicContact CZ3-SD 4.12Å; V247-M257 HydrophobicContact CG2-SD 4.3Å; P252-M257 HydrophobicContact CG-CG 3.76Å; P255-M257 VanDerWaalsContact C-N 3.26Å; P255-M257 PolarHBondContact O-N 3.38Å; M257-K261 VanDerWaalsContact O-CB 3.25Å; M257-K261 WeakPolarHBondContact O-CB 3.06Å; M257-K261 PolarHBondContact O-N 2.62Å; M257-C275 HydrophobicContact CE-CB 3.85Å
258	Q	96.8	Very high	96.2	Very high	103 Å²	103	59 Å²	59	48%	0.481	30%	0.299	S	S	.	.	H	α-helix	trans	-65.5	-45.7	176.8	-62.7	83.7	-6.1	0	0	110.6	P255 K261 E262 W432	P255-Q258 PolarHBondContact O-N 2.71Å; P255-Q258 VanDerWaalsContact O-N 3.13Å; P255-Q258 PolarHBondContact O-OE1 3.45Å; P255-Q258 VanDerWaalsContact O-OE1 3.07Å; Q258-K261 PolarHBondContact O-N 2.93Å; Q258-E262 PolarHBondContact O-N 2.86Å; Q258-W432 HydrophobicContact CB-CH2 3.97Å; Q258-W432 HydrophobicContact CB-CZ3 4.3Å
259	Y	98.3	Very high	96.6	Very high	1 Å²	1	57.3 Å²	57.3	0%	0.004	29%	0.287	C	S	.	.	H	α-helix	trans	-63.2	-47.4	-179.5	-162.4	-70.2	0	0	0	111.8	P255 K261 E262 L263 F307 M334 V353 P359 L362 L430 W432	P255-Y259 PolarHBondContact O-N 2.81Å; Y259-K261 VanDerWaalsContact C-N 3.32Å; Y259-K261 PolarHBondContact O-N 2.87Å; Y259-E262 PolarHBondContact O-N 2.6Å; Y259-L263 HydrophobicContact CD1-CB 4.49Å; Y259-L263 WeakPolarHBondContact O-CB 3.34Å; Y259-L263 PolarHBondContact O-N 2.83Å; Y259-F307 AromaticContact CD1-CE2 3.88Å; Y259-F307 HydrophobicContact CD1-CE2 3.88Å; Y259-F307 AromaticContact CD1-CZ 3.73Å; Y259-F307 HydrophobicContact CD1-CZ 3.73Å; Y259-F307 HydrophobicContact CE1-CZ 4.12Å; Y259-F307 HydrophobicContact CG-CE2 4.38Å; Y259-F307 HydrophobicContact CG-CZ 4.47Å; Y259-M334 VanDerWaalsContact CB-CE 3.45Å; Y259-M334 HydrophobicContact CD1-CE 3.96Å; Y259-M334 HydrophobicContact CD2-CE 3.29Å; Y259-M334 HydrophobicContact CE2-CE 4.02Å; Y259-M334 HydrophobicContact CG-CE 3.29Å; Y259-V353 HydrophobicContact CD1-CG1 4.47Å; Y259-V353 HydrophobicContact CE1-CB 4.41Å; Y259-V353 HydrophobicContact CE1-CG1 3.81Å; Y259-V353 HydrophobicContact CE2-CB 3.91Å; Y259-V353 HydrophobicContact CE2-CG1 4.13Å; Y259-P359 HydrophobicContact CD1-CB 4.31Å; Y259-P359 HydrophobicContact CD1-CG 4.04Å; Y259-P359 HydrophobicContact CD2-CG 4.1Å; Y259-P359 HydrophobicContact CE1-CB 3.89Å; Y259-P359 HydrophobicContact CE1-CG 3.81Å; Y259-P359 HydrophobicContact CE2-CG 3.88Å; Y259-P359 HydrophobicContact CG-CG 4.16Å; Y259-L362 HydrophobicContact CE1-CD2 3.89Å; Y259-L430 HydrophobicContact CD2-CD1 4.47Å; Y259-W432 HydrophobicContact CD2-CB 4.44Å; Y259-W432 AromaticContact CD2-CD2 3.79Å; Y259-W432 HydrophobicContact CD2-CD2 3.79Å; Y259-W432 AromaticContact CD2-CE3 3.26Å; Y259-W432 HydrophobicContact CD2-CE3 3.26Å; Y259-W432 HydrophobicContact CD2-CG 4.34Å; Y259-W432 HydrophobicContact CD2-CH2 4.48Å; Y259-W432 AromaticContact CD2-CZ3 3.65Å; Y259-W432 HydrophobicContact CD2-CZ3 3.65Å; Y259-W432 HydrophobicContact CE2-CB 3.97Å; Y259-W432 HydrophobicContact CE2-CD2 4.06Å; Y259-W432 AromaticContact CE2-CE3 3.95Å; Y259-W432 HydrophobicContact CE2-CE3 3.95Å; Y259-W432 HydrophobicContact CE2-CG 4.13Å; Y259-W432 HydrophobicContact CG-CE3 4.11Å; Y259-W432 HydrophobicContact CG-CZ3 4.03Å
260	A	98.2	Very high	96.9	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-64.6	-36.7	178.8	0	0	0	0	0	112.3	W245 R256 L263 S264 L305 F307	W245-A260 HydrophobicContact CD2-CB 4.38Å; W245-A260 HydrophobicContact CE3-CB 3.56Å; W245-A260 HydrophobicContact CH2-CB 3.58Å; W245-A260 HydrophobicContact CZ2-CB 4.4Å; W245-A260 HydrophobicContact CZ3-CB 3.11Å; R256-A260 VanDerWaalsContact O-CB 3.23Å; R256-A260 WeakPolarHBondContact O-CB 3.3Å; R256-A260 PolarHBondContact O-N 2.99Å; A260-L263 PolarHBondContact O-N 3.32Å; A260-S264 WeakPolarHBondContact O-CB 3.36Å; A260-S264 PolarHBondContact O-N 3.42Å; A260-S264 PolarHBondContact O-OG 2.69Å; A260-L305 HydrophobicContact CB-CD1 4.07Å; A260-F307 HydrophobicContact CB-CE2 4.23Å
261	K	97.6	Very high	96.9	Very high	142 Å²	142	56.1 Å²	56.1	62%	0.617	28%	0.276	S	S	*	.	H	α-helix	trans	-64.7	-39.2	173.7	-179.9	178.9	178.5	-179.9	0	112.4	M257 Q258 Y259 S264	M257-K261 VanDerWaalsContact O-CB 3.25Å; M257-K261 WeakPolarHBondContact O-CB 3.06Å; M257-K261 PolarHBondContact O-N 2.62Å; Q258-K261 PolarHBondContact O-N 2.93Å; Y259-K261 VanDerWaalsContact C-N 3.32Å; Y259-K261 PolarHBondContact O-N 2.87Å; K261-S264 PolarHBondContact O-OG 3.41Å
262	E	98.4	Very high	96.9	Very high	49 Å²	49	49.5 Å²	49.5	23%	0.229	24%	0.242	C	C	.	.	H	α-helix	trans	-71.3	-44.2	175.9	-177	54.6	-146.9	0	0	110.7	Q258 Y259 S264 R265 H266 P359 W432	Q258-E262 PolarHBondContact O-N 2.86Å; Y259-E262 PolarHBondContact O-N 2.6Å; E262-S264 VanDerWaalsContact C-N 3.28Å; E262-S264 PolarHBondContact O-N 2.83Å; E262-R265 WeakPolarHBondContact O-CB 3.44Å; E262-R265 PolarHBondContact O-N 2.86Å; E262-R265 VanDerWaalsContact O-N 3.14Å; E262-R265 WeakPolarHBondContact OE2-CD 3.35Å; E262-R265 IonicContact OE2-CZ 2.83Å; E262-R265 IonicContact OE2-NE 3.75Å; E262-R265 IonicContact OE2-NH1 3.83Å; E262-R265 PolarHBondContact OE2-NH1 2.8Å; E262-H266 PolarHBondContact O-CD2 2.6Å; E262-H266 IonicContact OE1-CD2 2.86Å; E262-H266 IonicContact OE1-CE1 3.16Å; E262-H266 IonicContact OE1-NE2 3Å; E262-H266 PolarHBondContact OE1-NE2 2.75Å; E262-P359 HydrophobicContact CB-CB 4.23Å; E262-P359 HydrophobicContact CB-CG 3.97Å; E262-P359 HydrophobicContact CG-CB 3.92Å; E262-P359 HydrophobicContact CG-CG 3.73Å; E262-W432 HydrophobicContact CB-CZ2 4.18Å; E262-W432 HydrophobicContact CG-CZ2 4.31Å
263	L	98.7	Very high	96.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-56.6	-40.9	176.6	-176	63.1	0	0	0	112.3	Y259 A260 R265 H266 I267 V269 L305 P359 L362 A363	Y259-L263 HydrophobicContact CD1-CB 4.49Å; Y259-L263 WeakPolarHBondContact O-CB 3.34Å; Y259-L263 PolarHBondContact O-N 2.83Å; A260-L263 PolarHBondContact O-N 3.32Å; L263-R265 PolarHBondContact O-N 3.49Å; L263-R265 VanDerWaalsContact O-N 3.15Å; L263-H266 PolarHBondContact O-N 2.63Å; L263-I267 HydrophobicContact CD1-CG2 3.75Å; L263-I267 HydrophobicContact CG-CG2 3.83Å; L263-I267 PolarHBondContact O-N 2.77Å; L263-I267 VanDerWaalsContact O-N 3.13Å; L263-V269 HydrophobicContact CD2-CG2 4.27Å; L263-V269 HydrophobicContact CG-CG2 4.19Å; L263-L305 HydrophobicContact CD2-CD1 4.32Å; L263-L305 HydrophobicContact CD2-CD2 3.9Å; L263-P359 HydrophobicContact CB-CB 4.08Å; L263-P359 HydrophobicContact CD1-CB 4.29Å; L263-P359 VanDerWaalsContact CD1-O 3.28Å; L263-P359 WeakPolarHBondContact CD1-O 3.44Å; L263-L362 HydrophobicContact CD1-CD2 4.15Å; L263-L362 HydrophobicContact CD1-CG 4.31Å; L263-L362 HydrophobicContact CD2-CD2 4.35Å; L263-A363 HydrophobicContact CD1-CB 3.95Å
264	S	98.4	Very high	96.7	Very high	52 Å²	52	50.1 Å²	50.1	36%	0.364	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-15.2	-178.4	71.5	0	0	0	0	114.3	A260 K261 E262 H266 I267	A260-S264 WeakPolarHBondContact O-CB 3.36Å; A260-S264 PolarHBondContact O-N 3.42Å; A260-S264 PolarHBondContact O-OG 2.69Å; K261-S264 PolarHBondContact O-OG 3.41Å; E262-S264 VanDerWaalsContact C-N 3.28Å; E262-S264 PolarHBondContact O-N 2.83Å; S264-H266 VanDerWaalsContact C-N 3.29Å; S264-I267 WeakPolarHBondContact CA-O 3.25Å
265	R	98.5	Very high	96.6	Very high	173 Å²	173	51.3 Å²	51.3	65%	0.653	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-24.3	170.6	-63.3	176.3	165.7	171.1	-12.2	112.6	E262 L263	E262-R265 WeakPolarHBondContact O-CB 3.44Å; E262-R265 PolarHBondContact O-N 2.86Å; E262-R265 VanDerWaalsContact O-N 3.14Å; E262-R265 WeakPolarHBondContact OE2-CD 3.35Å; E262-R265 IonicContact OE2-CZ 2.83Å; E262-R265 IonicContact OE2-NE 3.75Å; E262-R265 IonicContact OE2-NH1 3.83Å; E262-R265 PolarHBondContact OE2-NH1 2.8Å; L263-R265 PolarHBondContact O-N 3.49Å; L263-R265 VanDerWaalsContact O-N 3.15Å
266	H	98.7	Very high	96.5	Very high	61 Å²	61	51 Å²	51	28%	0.282	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-23.3	-169.9	-56.3	-68.4	0	0	0	113.1	E262 L263 S264 A363 K367	E262-H266 PolarHBondContact O-CD2 2.6Å; E262-H266 IonicContact OE1-CD2 2.86Å; E262-H266 IonicContact OE1-CE1 3.16Å; E262-H266 IonicContact OE1-NE2 3Å; E262-H266 PolarHBondContact OE1-NE2 2.75Å; L263-H266 PolarHBondContact O-N 2.63Å; S264-H266 VanDerWaalsContact C-N 3.29Å; H266-A363 HydrophobicContact CB-CB 3.38Å; H266-K367 WeakPolarHBondContact O-CE 3.5Å; H266-K367 PolarHBondContact O-NZ 3.45Å
267	I	98.8	Very high	96.3	Very high	8 Å²	8	57.1 Å²	57.1	4%	0.041	30%	0.301	C	S	.	.	S	Bend	trans	-148.5	148.1	177.8	-169.9	167.7	0	0	0	110	K242 V243 L263 S264 V269 A363 L366 K367	K242-I267 HydrophobicContact CB-CD1 4.13Å; K242-I267 HydrophobicContact CB-CG1 4.16Å; K242-I267 HydrophobicContact CD-CD1 3.88Å; K242-I267 HydrophobicContact CD-CG1 3.61Å; K242-I267 HydrophobicContact CG-CD1 4.45Å; K242-I267 HydrophobicContact CG-CG1 4.48Å; V243-I267 HydrophobicContact CG2-CD1 4.14Å; V243-I267 HydrophobicContact CG2-CG1 4.44Å; V243-I267 HydrophobicContact CG2-CG2 4.32Å; L263-I267 HydrophobicContact CD1-CG2 3.75Å; L263-I267 HydrophobicContact CG-CG2 3.83Å; L263-I267 PolarHBondContact O-N 2.77Å; L263-I267 VanDerWaalsContact O-N 3.13Å; S264-I267 WeakPolarHBondContact CA-O 3.25Å; I267-V269 HydrophobicContact CG2-CG2 4.27Å; I267-V269 PolarHBondContact O-N 2.75Å; I267-A363 HydrophobicContact CB-CB 4Å; I267-A363 HydrophobicContact CG2-CB 3.9Å; I267-L366 HydrophobicContact CD1-CB 3.53Å; I267-L366 HydrophobicContact CD1-CD1 4.12Å; I267-K367 HydrophobicContact CD1-CG 4.38Å
268	S	98.4	Very high	96.1	Very high	75 Å²	75	57.4 Å²	57.4	52%	0.524	30%	0.303	S	S	.	.			trans	-63.2	119.8	177.3	-52.1	0	0	0	0	111	V243	V243-S268 PolarHBondContact N-O 2.6Å
269	V	98.6	Very high	95.6	Very high	17 Å²	17	57.2 Å²	57.2	10%	0.103	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	112.3	175.4	-176.9	0	0	0	0	108.4	V243 W245 L263 I267 I271 L305	V243-V269 HydrophobicContact CB-CB 4.46Å; V243-V269 HydrophobicContact CB-CG1 4.46Å; V243-V269 HydrophobicContact CB-CG2 4.06Å; V243-V269 HydrophobicContact CG1-CG1 4.1Å; V243-V269 HydrophobicContact CG1-CG2 4.18Å; V243-V269 HydrophobicContact CG2-CG2 4.49Å; V243-V269 WeakPolarHBondContact O-CA 3.43Å; W245-V269 HydrophobicContact CB-CG1 4.37Å; L263-V269 HydrophobicContact CD2-CG2 4.27Å; L263-V269 HydrophobicContact CG-CG2 4.19Å; I267-V269 HydrophobicContact CG2-CG2 4.27Å; I267-V269 PolarHBondContact O-N 2.75Å; V269-I271 HydrophobicContact CG1-CG1 3.99Å; V269-L305 HydrophobicContact CG1-CD1 4.01Å
270	D	97.4	Very high	94.8	Very high	44 Å²	44	58.8 Å²	58.8	24%	0.235	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	115.2	176	-76.8	-4.6	0	0	0	109.2	K241 V243 A244 W245 Y272 L278 Y301	K241-D270 IonicContact NZ-OD2 3.07Å; K241-D270 PolarHBondContact NZ-OD2 3.25Å; V243-D270 PolarHBondContact O-N 3.26Å; A244-D270 CarbonylContact C-O 3.53Å; A244-D270 VanDerWaalsContact CA-O 3.3Å; A244-D270 WeakPolarHBondContact CA-O 3.45Å; W245-D270 PolarHBondContact N-O 2.83Å; D270-Y272 HydrophobicContact CB-CE2 3.92Å; D270-L278 HydrophobicContact CB-CD1 3.55Å; D270-Y301 HydrophobicContact CB-CE1 3.76Å; D270-Y301 VanDerWaalsContact CB-OH 3.26Å; D270-Y301 WeakPolarHBondContact CB-OH 2.97Å; D270-Y301 VanDerWaalsContact CG-OH 3.3Å; D270-Y301 WeakPolarHBondContact OD2-CE1 3.23Å; D270-Y301 PolarHBondContact OD2-OH 3.33Å
271	I	95.9	Very high	93.6	Very high	36 Å²	36	62 Å²	62	19%	0.185	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	119.4	-173.6	-49.2	178.3	0	0	0	109.8	W245 V247 V269 G276 T277 L278	W245-I271 HydrophobicContact CE3-CD1 4.12Å; W245-I271 HydrophobicContact CE3-CG1 4.19Å; W245-I271 HydrophobicContact CE3-CG2 3.96Å; W245-I271 HydrophobicContact CZ3-CD1 4.43Å; W245-I271 WeakPolarHBondContact O-CA 3.43Å; V247-I271 HydrophobicContact CG1-CG2 3.67Å; V269-I271 HydrophobicContact CG1-CG1 3.99Å; I271-G276 WeakPolarHBondContact O-CA 3.27Å; I271-T277 PolarHBondContact O-N 2.78Å; I271-L278 WeakPolarHBondContact O-CB 3.28Å; I271-L278 PolarHBondContact O-N 2.04Å; I271-L278 VanDerWaalsContact O-N 3.13Å
272	Y	93.1	Very high	92	Very high	12 Å²	12	64.9 Å²	64.9	5%	0.047	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	149.1	-179.5	-69.1	-99	0	0	0	111.6	A244 W245 F246 V247 D270 L278 M296 Y301	A244-Y272 HydrophobicContact CB-CE2 4.41Å; W245-Y272 PolarHBondContact O-N 3.49Å; F246-Y272 WeakPolarHBondContact CA-O 3.4Å; F246-Y272 HydrophobicContact CD2-CD2 4.1Å; F246-Y272 HydrophobicContact CD2-CG 4.26Å; F246-Y272 HydrophobicContact CE1-CD1 4.42Å; F246-Y272 HydrophobicContact CE1-CG 4.1Å; F246-Y272 HydrophobicContact CE2-CD1 4.49Å; F246-Y272 AromaticContact CE2-CD2 3.5Å; F246-Y272 HydrophobicContact CE2-CD2 3.5Å; F246-Y272 VanDerWaalsContact CE2-CD2 3.5Å; F246-Y272 HydrophobicContact CE2-CE2 4.12Å; F246-Y272 AromaticContact CE2-CG 3.72Å; F246-Y272 HydrophobicContact CE2-CG 3.72Å; F246-Y272 HydrophobicContact CZ-CD1 4.03Å; F246-Y272 AromaticContact CZ-CD2 3.87Å; F246-Y272 HydrophobicContact CZ-CD2 3.87Å; F246-Y272 HydrophobicContact CZ-CE2 4.4Å; F246-Y272 AromaticContact CZ-CG 3.66Å; F246-Y272 HydrophobicContact CZ-CG 3.66Å; V247-Y272 PolarHBondContact N-O 2.78Å; D270-Y272 HydrophobicContact CB-CE2 3.92Å; Y272-L278 WeakPolarHBondContact CA-O 3.43Å; Y272-L278 HydrophobicContact CD1-CB 3.59Å; Y272-L278 HydrophobicContact CD2-CB 4.26Å; Y272-L278 HydrophobicContact CD2-CD1 4.23Å; Y272-L278 HydrophobicContact CE1-CB 3.66Å; Y272-L278 HydrophobicContact CE1-CD1 4.26Å; Y272-L278 HydrophobicContact CE2-CB 4.32Å; Y272-L278 HydrophobicContact CE2-CD1 3.74Å; Y272-L278 HydrophobicContact CG-CB 3.91Å; Y272-M296 HydrophobicContact CE1-CE 4.11Å; Y272-M296 HydrophobicContact CE2-CE 4.46Å; Y272-Y301 PolarHBondContact OH-OH 3Å
273	G	90.2	Very high	90	Very high	25 Å²	25	69.4 Å²	69.4	26%	0.258	38%	0.383	S	S	.	.	S	Bend	trans	96	-166.1	177.6	0	0	0	0	0	112.9	V247 C275 G276 L278	V247-G273 CarbonylContact O-C 3.36Å; G273-C275 PolarHBondContact O-N 2.85Å; G273-C275 VanDerWaalsContact O-N 3.13Å; G273-G276 PolarHBondContact O-N 3.23Å; G273-L278 PolarHBondContact N-O 3.22Å; G273-L278 VanDerWaalsContact N-O 3.15Å
274	E	91.3	Very high	87.6	Confident	159 Å²	159	74.1 Å²	74.1	74%	0.743	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-22.7	-169	-55.6	-178.7	171.5	0	0	114.1	V247	V247-E274 PolarHBondContact O-N 2.81Å
275	C	93.8	Very high	84.9	Confident	30 Å²	30	76.7 Å²	76.7	20%	0.203	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	1.7	179.6	-37.7	0	0	0	0	113.6	V247 S248 C250 M257 G273	V247-C275 HydrophobicContact CG1-CB 3.85Å; V247-C275 HydrophobicContact CG2-CB 4.32Å; V247-C275 PolarHBondContact O-N 3.44Å; S248-C275 VanDerWaalsContact C-SG 3.5Å; S248-C275 PolarHBondContact O-SG 3.05Å; C250-C275 WeakPolarHBondContact CA-SG 3.38Å; C250-C275 HydrophobicContact CB-CB 3.86Å; C250-C275 WeakPolarHBondContact CB-SG 3.41Å; C250-C275 PolarHBondContact N-SG 3.13Å; C250-C275 WeakPolarHBondContact SG-CA 3.24Å; C250-C275 WeakPolarHBondContact SG-CB 3.45Å; C250-C275 CovalentContact SG-SG 2.04Å; C250-C275 PolarHBondContact SG-SG 3.28Å; M257-C275 HydrophobicContact CE-CB 3.85Å; G273-C275 PolarHBondContact O-N 2.85Å; G273-C275 VanDerWaalsContact O-N 3.13Å
276	G	91.2	Very high	82.2	Confident	25 Å²	25	74.8 Å²	74.8	26%	0.258	43%	0.43	S	S	.	.	S	Bend	trans	-116.4	-179.4	-179.2	0	0	0	0	0	112.5	I271 G273	I271-G276 WeakPolarHBondContact O-CA 3.27Å; G273-G276 PolarHBondContact O-N 3.23Å
277	T	92.4	Very high	79.8	Confident	137 Å²	137	79.1 Å²	79.1	84%	0.84	45%	0.449	S	S	*	.	S	Bend	trans	-101.8	-12.1	174.7	54.8	0	0	0	0	112.5	I271	I271-T277 PolarHBondContact O-N 2.78Å
278	L	93.1	Very high	77.6	Confident	57 Å²	57	81 Å²	81	30%	0.298	46%	0.461	S	S	.	.	B	Isolated β-bridge	trans	-97.1	149.4	-179.5	-55	176	0	0	0	110.6	D270 I271 Y272 G273	D270-L278 HydrophobicContact CB-CD1 3.55Å; I271-L278 WeakPolarHBondContact O-CB 3.28Å; I271-L278 PolarHBondContact O-N 2.04Å; I271-L278 VanDerWaalsContact O-N 3.13Å; Y272-L278 WeakPolarHBondContact CA-O 3.43Å; Y272-L278 HydrophobicContact CD1-CB 3.59Å; Y272-L278 HydrophobicContact CD2-CB 4.26Å; Y272-L278 HydrophobicContact CD2-CD1 4.23Å; Y272-L278 HydrophobicContact CE1-CB 3.66Å; Y272-L278 HydrophobicContact CE1-CD1 4.26Å; Y272-L278 HydrophobicContact CE2-CB 4.32Å; Y272-L278 HydrophobicContact CE2-CD1 3.74Å; Y272-L278 HydrophobicContact CG-CB 3.91Å; G273-L278 PolarHBondContact N-O 3.22Å; G273-L278 VanDerWaalsContact N-O 3.15Å
279	S	87.4	Confident	75.8	Confident	99 Å²	99	78.2 Å²	78.2	69%	0.692	44%	0.441	S	S	*	.			trans	-126.2	150.9	176.3	-68.7	0	0	0	0	109.7
280	C	80.8	Confident	74.6	Confident	34 Å²	34	77.9 Å²	77.9	23%	0.23	44%	0.44	C	S	.	.			trans	-61	146.9	169.3	-77.2	0	0	0	0	110.9	F246 K282 C293	F246-C280 VanDerWaalsContact CE1-SG 3.58Å; C280-K282 PolarHBondContact O-N 3.29Å; C280-C293 WeakPolarHBondContact CA-SG 3.01Å; C280-C293 HydrophobicContact CB-CB 4.1Å; C280-C293 WeakPolarHBondContact CB-SG 3.16Å; C280-C293 WeakPolarHBondContact SG-CB 3.25Å; C280-C293 CovalentContact SG-SG 2.02Å; C280-C293 PolarHBondContact SG-SG 3.47Å
281	P	72.6	Confident	73.8	Confident	67 Å²	67	81.2 Å²	81.2	44%	0.435	46%	0.461	S	S	.	.			trans	-50.4	134.3	160.9	-22.9	33.9	0	0	0	109.4	D283	P281-D283 PolarHBondContact O-N 2.68Å
282	K	64	Low	73.3	Confident	202 Å²	202	81.4 Å²	81.4	88%	0.878	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	10.8	-165.1	-71.6	-174.7	177.8	179.1	0	115.5	C280 I284	C280-K282 PolarHBondContact O-N 3.29Å; K282-I284 PolarHBondContact O-N 3.17Å
283	D	56.1	Low	73	Confident	144 Å²	144	80.8 Å²	80.8	77%	0.77	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-7.3	-166.2	-65.8	-18	0	0	0	114.6	P281	P281-D283 PolarHBondContact O-N 2.68Å
284	I	48.4	Very low	73	Confident	100 Å²	100	80.6 Å²	80.6	51%	0.513	46%	0.463	S	S	.	.	S	Bend	trans	-147.6	130.3	163.4	-55	-176.1	0	0	0	110.5	K282	K282-I284 PolarHBondContact O-N 3.17Å
285	P	42.4	Very low	73	Confident	106 Å²	106	78.8 Å²	78.8	69%	0.688	45%	0.452	S	S	*	.	S	Bend	trans	-72.4	144.3	172.9	-5	21.6	0	0	0	111.3
286	T	42.3	Very low	72.9	Confident	133 Å²	133	79.1 Å²	79.1	82%	0.816	45%	0.451	S	S	*	.	S	Bend	trans	92.7	4.6	156	62.4	0	0	0	0	122.9
287	F	47.4	Very low	73	Confident	151 Å²	151	78 Å²	78	66%	0.662	44%	0.439	S	S	*	.			trans	-135.1	138.2	160.1	-92.5	-88.4	0	0	0	112.1	S289 S290	F287-S289 PolarHBondContact O-N 2.91Å; F287-S290 PolarHBondContact O-N 3.38Å
288	T	53	Low	73.1	Confident	49 Å²	49	76.6 Å²	76.6	30%	0.301	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-23.6	174.5	44.2	0	0	0	0	111.6	F246	F246-T288 WeakPolarHBondContact CD1-O 3.01Å; F246-T288 WeakPolarHBondContact CE1-O 3.29Å
289	S	59.9	Low	73.2	Confident	15 Å²	15	78.7 Å²	78.7	11%	0.105	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	57.9	179.1	40.3	0	0	0	0	113.1	F287 N323	F287-S289 PolarHBondContact O-N 2.91Å; S289-N323 WeakPolarHBondContact CB-OD1 3.36Å
290	S	73.3	Confident	73.7	Confident	11 Å²	11	76.4 Å²	76.4	8%	0.077	41%	0.407	C	S	.	.			trans	-62.3	151.1	169	77	0	0	0	0	111	F287 G292 C293 L294	F287-S290 PolarHBondContact O-N 3.38Å; S290-G292 PolarHBondContact O-N 3.14Å; S290-C293 WeakPolarHBondContact O-CA 3.36Å; S290-C293 WeakPolarHBondContact O-CB 3.39Å; S290-C293 PolarHBondContact O-N 2.69Å; S290-C293 WeakPolarHBondContact OG-CB 3.49Å; S290-C293 PolarHBondContact OG-N 3.18Å; S290-L294 PolarHBondContact O-N 2.04Å
291	V	81.3	Confident	74.5	Confident	113 Å²	113	74.9 Å²	74.9	69%	0.685	40%	0.396	S	S	*	.	H	α-helix	trans	-53	-41.1	-179.8	176.7	0	0	0	0	111.6	K295	V291-K295 WeakPolarHBondContact O-CB 3.21Å; V291-K295 PolarHBondContact O-N 2.85Å
292	G	84.6	Confident	75.8	Confident	40 Å²	40	72.2 Å²	72.2	41%	0.412	38%	0.378	S	S	.	.	H	α-helix	trans	-65.3	-38.2	176.2	0	0	0	0	0	113.2	S290 K295 M296	S290-G292 PolarHBondContact O-N 3.14Å; G292-K295 PolarHBondContact O-N 3.03Å; G292-M296 WeakPolarHBondContact O-CB 3.37Å; G292-M296 PolarHBondContact O-N 3.41Å
293	C	87.8	Confident	77.4	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-69.1	-45	177.4	-119.6	0	0	0	0	112	F246 C280 S290 K295 M296 M297	F246-C293 HydrophobicContact CE1-CB 4.16Å; F246-C293 HydrophobicContact CZ-CB 4.44Å; C280-C293 WeakPolarHBondContact CA-SG 3.01Å; C280-C293 HydrophobicContact CB-CB 4.1Å; C280-C293 WeakPolarHBondContact CB-SG 3.16Å; C280-C293 WeakPolarHBondContact SG-CB 3.25Å; C280-C293 CovalentContact SG-SG 2.02Å; C280-C293 PolarHBondContact SG-SG 3.47Å; S290-C293 WeakPolarHBondContact O-CA 3.36Å; S290-C293 WeakPolarHBondContact O-CB 3.39Å; S290-C293 PolarHBondContact O-N 2.69Å; S290-C293 WeakPolarHBondContact OG-CB 3.49Å; S290-C293 PolarHBondContact OG-N 3.18Å; C293-K295 VanDerWaalsContact C-N 3.3Å; C293-K295 PolarHBondContact O-N 3.1Å; C293-M296 PolarHBondContact O-N 3.05Å; C293-M297 WeakPolarHBondContact O-CB 3.15Å; C293-M297 VanDerWaalsContact O-CG 3.26Å; C293-M297 WeakPolarHBondContact O-CG 3.07Å; C293-M297 PolarHBondContact O-N 3.22Å
294	L	89.1	Confident	79.4	Confident	21 Å²	21	56 Å²	56	11%	0.11	30%	0.3	C	S	.	.	H	α-helix	trans	-61	-39.6	175.1	-69.2	179.5	0	0	0	111.8	S290 M297 R298 N327	S290-L294 PolarHBondContact O-N 2.04Å; L294-M297 WeakPolarHBondContact O-CB 3.24Å; L294-M297 PolarHBondContact O-N 3.43Å; L294-R298 PolarHBondContact O-N 3.07Å; L294-N327 WeakPolarHBondContact CB-OD1 3.46Å
295	K	91.4	Very high	81.8	Confident	120 Å²	120	51.2 Å²	51.2	52%	0.522	28%	0.276	S	S	.	.	H	α-helix	trans	-62	-50.9	172.5	-178.1	-175.6	171.2	-169.9	0	112.2	V291 G292 C293 M297 R298 E299	V291-K295 WeakPolarHBondContact O-CB 3.21Å; V291-K295 PolarHBondContact O-N 2.85Å; G292-K295 PolarHBondContact O-N 3.03Å; C293-K295 VanDerWaalsContact C-N 3.3Å; C293-K295 PolarHBondContact O-N 3.1Å; K295-M297 PolarHBondContact O-N 2.81Å; K295-R298 WeakPolarHBondContact O-CB 3.38Å; K295-R298 PolarHBondContact O-N 2.99Å; K295-R298 VanDerWaalsContact O-N 3.16Å; K295-E299 WeakPolarHBondContact CE-OE1 3.17Å; K295-E299 IonicContact NZ-OE1 3.81Å; K295-E299 WeakPolarHBondContact O-CG 3.39Å; K295-E299 PolarHBondContact O-N 3.22Å
296	M	92.2	Very high	84.5	Confident	38 Å²	38	46.1 Å²	46.1	19%	0.187	24%	0.243	C	C	.	.	H	α-helix	trans	-55.4	-41	175.9	176.9	-146.3	63.1	0	0	110.8	F246 Y272 G292 C293 E299 N300 Y301	F246-M296 HydrophobicContact CZ-CE 4.41Å; Y272-M296 HydrophobicContact CE1-CE 4.11Å; Y272-M296 HydrophobicContact CE2-CE 4.46Å; G292-M296 WeakPolarHBondContact O-CB 3.37Å; G292-M296 PolarHBondContact O-N 3.41Å; C293-M296 PolarHBondContact O-N 3.05Å; M296-E299 PolarHBondContact O-N 2.66Å; M296-N300 WeakPolarHBondContact O-CB 3.43Å; M296-N300 PolarHBondContact O-N 3.29Å; M296-N300 PolarHBondContact O-ND2 3.08Å; M296-Y301 HydrophobicContact CE-CE2 4.27Å
297	M	93.2	Very high	87.2	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-60.5	-52.3	176.2	-77.5	-51.4	-46.3	0	0	112.2	A244 F246 C293 L294 K295 E299 N300 Y301 Y304 L329	A244-M297 HydrophobicContact CB-CE 3.12Å; A244-M297 HydrophobicContact CB-SD 3.44Å; A244-M297 WeakPolarHBondContact CB-SD 3.06Å; F246-M297 HydrophobicContact CE2-CG 3.73Å; F246-M297 HydrophobicContact CE2-SD 3.51Å; F246-M297 VanDerWaalsContact CE2-SD 3.51Å; F246-M297 HydrophobicContact CZ-CG 3.83Å; F246-M297 HydrophobicContact CZ-SD 3.99Å; C293-M297 WeakPolarHBondContact O-CB 3.15Å; C293-M297 VanDerWaalsContact O-CG 3.26Å; C293-M297 WeakPolarHBondContact O-CG 3.07Å; C293-M297 PolarHBondContact O-N 3.22Å; L294-M297 WeakPolarHBondContact O-CB 3.24Å; L294-M297 PolarHBondContact O-N 3.43Å; K295-M297 PolarHBondContact O-N 2.81Å; M297-E299 PolarHBondContact O-N 3.48Å; M297-N300 PolarHBondContact O-N 3.15Å; M297-Y301 VanDerWaalsContact CE-CB 3.44Å; M297-Y301 HydrophobicContact CE-CD1 4.16Å; M297-Y301 HydrophobicContact CE-CD2 3.25Å; M297-Y301 HydrophobicContact CE-CE2 3.92Å; M297-Y301 HydrophobicContact CE-CG 3.37Å; M297-Y301 PolarHBondContact O-N 3.31Å; M297-Y301 HydrophobicContact SD-CD2 3.39Å; M297-Y301 WeakPolarHBondContact SD-CD2 3.48Å; M297-Y301 HydrophobicContact SD-CE2 3.47Å; M297-Y301 WeakPolarHBondContact SD-CE2 3.3Å; M297-Y301 HydrophobicContact SD-CG 4.09Å; M297-Y304 HydrophobicContact CE-CD2 4.45Å; M297-L329 HydrophobicContact CB-CD1 4.12Å; M297-L329 HydrophobicContact CB-CD2 4.34Å; M297-L329 HydrophobicContact CE-CD2 3.35Å
298	R	95	Very high	89.6	Confident	107 Å²	107	32.6 Å²	32.6	40%	0.404	17%	0.173	S	C	.	.	H	α-helix	trans	-55.9	-37.8	176.2	-178.5	173.4	-171.7	-173.4	9.5	112.7	K239 L294 K295 N327 E328	K239-R298 WeakPolarHBondContact CE-O 3.22Å; K239-R298 PolarHBondContact NZ-O 3.13Å; L294-R298 PolarHBondContact O-N 3.07Å; K295-R298 WeakPolarHBondContact O-CB 3.38Å; K295-R298 PolarHBondContact O-N 2.99Å; K295-R298 VanDerWaalsContact O-N 3.16Å; R298-N327 WeakPolarHBondContact CA-O 3.13Å; R298-N327 HydrophobicContact CB-CB 4.4Å; R298-N327 VanDerWaalsContact CB-O 3.22Å; R298-N327 WeakPolarHBondContact CB-O 3.32Å; R298-N327 VanDerWaalsContact CG-O 3.23Å; R298-N327 WeakPolarHBondContact CG-O 3.22Å; R298-E328 HydrophobicContact CG-CB 4.34Å; R298-E328 IonicContact CZ-OE1 3.54Å; R298-E328 IonicContact CZ-OE2 3.54Å; R298-E328 IonicContact NE-OE1 3.64Å; R298-E328 IonicContact NE-OE2 2.89Å; R298-E328 PolarHBondContact NE-OE2 3.08Å; R298-E328 IonicContact NH2-OE1 2.69Å; R298-E328 PolarHBondContact NH2-OE1 3.04Å; R298-E328 IonicContact NH2-OE2 3.38Å; R298-E328 PolarHBondContact NH2-OE2 3.31Å
299	E	95.5	Very high	91.6	Very high	102 Å²	102	30.9 Å²	30.9	48%	0.477	16%	0.162	S	C	.	.	H	α-helix	trans	-81.2	-27.6	-176.5	-70.1	173.5	169	0	0	113.4	K295 M296 M297	K295-E299 WeakPolarHBondContact CE-OE1 3.17Å; K295-E299 IonicContact NZ-OE1 3.81Å; K295-E299 WeakPolarHBondContact O-CG 3.39Å; K295-E299 PolarHBondContact O-N 3.22Å; M296-E299 PolarHBondContact O-N 2.66Å; M297-E299 PolarHBondContact O-N 3.48Å
300	N	96.9	Very high	93.4	Very high	51 Å²	51	30.2 Å²	30.2	27%	0.273	16%	0.157	S	C	.	.	H	α-helix	trans	-114	-28.7	-167.4	-66.5	-79.9	0	0	0	115.1	K239 S240 K241 M296 M297	K239-N300 CarbonylContact C-O 3.53Å; S240-N300 PolarHBondContact N-O 3.28Å; S240-N300 VanDerWaalsContact N-O 3.14Å; K241-N300 WeakPolarHBondContact CA-O 3.35Å; K241-N300 WeakPolarHBondContact CB-O 3.44Å; K241-N300 HydrophobicContact CD-CB 4.39Å; K241-N300 PolarHBondContact N-O 3.27Å; M296-N300 WeakPolarHBondContact O-CB 3.43Å; M296-N300 PolarHBondContact O-N 3.29Å; M296-N300 PolarHBondContact O-ND2 3.08Å; M297-N300 PolarHBondContact O-N 3.15Å
301	Y	98.4	Very high	94.5	Very high	1 Å²	1	31 Å²	31	0%	0.004	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	145.5	-170.2	-66.2	-99.6	0	0	0	113.3	K239 K241 A244 D270 Y272 M296 M297 L329	K239-Y301 VanDerWaalsContact CD-O 3.23Å; K239-Y301 WeakPolarHBondContact CD-O 3.38Å; K239-Y301 PolarHBondContact NZ-O 2.87Å; K241-Y301 HydrophobicContact CB-CD1 3.41Å; K241-Y301 VanDerWaalsContact CB-CD1 3.41Å; K241-Y301 HydrophobicContact CB-CD2 4.29Å; K241-Y301 HydrophobicContact CB-CE1 3.49Å; K241-Y301 VanDerWaalsContact CB-CE1 3.49Å; K241-Y301 HydrophobicContact CB-CE2 4.39Å; K241-Y301 HydrophobicContact CB-CG 3.83Å; K241-Y301 HydrophobicContact CD-CD1 4.2Å; K241-Y301 HydrophobicContact CD-CD2 4.25Å; K241-Y301 HydrophobicContact CD-CE1 3.51Å; K241-Y301 HydrophobicContact CD-CE2 3.62Å; K241-Y301 VanDerWaalsContact CD-OH 3.25Å; K241-Y301 WeakPolarHBondContact CD-OH 3.3Å; K241-Y301 HydrophobicContact CG-CD1 4.49Å; K241-Y301 HydrophobicContact CG-CE1 4.19Å; K241-Y301 PolarHBondContact NZ-OH 3.4Å; K241-Y301 WeakPolarHBondContact O-CA 3.37Å; A244-Y301 HydrophobicContact CB-CD1 3.73Å; A244-Y301 HydrophobicContact CB-CD2 4.36Å; A244-Y301 HydrophobicContact CB-CE1 3.71Å; A244-Y301 HydrophobicContact CB-CE2 4.31Å; A244-Y301 HydrophobicContact CB-CG 4.05Å; D270-Y301 HydrophobicContact CB-CE1 3.76Å; D270-Y301 VanDerWaalsContact CB-OH 3.26Å; D270-Y301 WeakPolarHBondContact CB-OH 2.97Å; D270-Y301 VanDerWaalsContact CG-OH 3.3Å; D270-Y301 WeakPolarHBondContact OD2-CE1 3.23Å; D270-Y301 PolarHBondContact OD2-OH 3.33Å; Y272-Y301 PolarHBondContact OH-OH 3Å; M296-Y301 HydrophobicContact CE-CE2 4.27Å; M297-Y301 VanDerWaalsContact CE-CB 3.44Å; M297-Y301 HydrophobicContact CE-CD1 4.16Å; M297-Y301 HydrophobicContact CE-CD2 3.25Å; M297-Y301 HydrophobicContact CE-CE2 3.92Å; M297-Y301 HydrophobicContact CE-CG 3.37Å; M297-Y301 PolarHBondContact O-N 3.31Å; M297-Y301 HydrophobicContact SD-CD2 3.39Å; M297-Y301 WeakPolarHBondContact SD-CD2 3.48Å; M297-Y301 HydrophobicContact SD-CE2 3.47Å; M297-Y301 WeakPolarHBondContact SD-CE2 3.3Å; M297-Y301 HydrophobicContact SD-CG 4.09Å; Y301-L329 WeakPolarHBondContact O-CD2 3.36Å
302	K	98.7	Very high	95.3	Very high	12 Å²	12	25.6 Å²	25.6	5%	0.052	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	-38.1	175	-69	-173.9	-177.9	176.3	0	113.4	K239 K241 K242 L330 D370 Y376	K239-K302 HydrophobicContact CB-CG 3.81Å; K239-K302 HydrophobicContact CD-CG 4.08Å; K241-K302 PolarHBondContact O-N 3.3Å; K241-K302 VanDerWaalsContact O-N 3.1Å; K242-K302 PolarHBondContact O-N 2.85Å; K302-L330 PolarHBondContact O-N 3.46Å; K302-D370 WeakPolarHBondContact CD-OD1 3.27Å; K302-D370 WeakPolarHBondContact CE-OD1 3.31Å; K302-D370 PolarHBondContact NZ-O 3.41Å; K302-D370 IonicContact NZ-OD1 2.82Å; K302-D370 PolarHBondContact NZ-OD1 3.07Å; K302-Y376 WeakPolarHBondContact CA-OH 3.39Å; K302-Y376 HydrophobicContact CB-CE2 3.73Å; K302-Y376 HydrophobicContact CG-CE2 4.29Å; K302-Y376 WeakPolarHBondContact O-CE2 3.2Å; K302-Y376 PolarHBondContact O-OH 3.29Å
303	F	98.9	Very high	95.7	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	148.8	-172.1	-44	-74.3	0	0	0	111.6	K242 V243 A244 L330 I332 L366 L369 D370 Y376	K242-F303 HydrophobicContact CB-CD2 4.37Å; K242-F303 WeakPolarHBondContact O-CD2 3.15Å; K242-F303 PolarHBondContact O-N 2.96Å; V243-F303 WeakPolarHBondContact CA-O 3.32Å; V243-F303 HydrophobicContact CG2-CB 4.11Å; V243-F303 HydrophobicContact CG2-CD2 4.07Å; V243-F303 HydrophobicContact CG2-CG 4.5Å; A244-F303 PolarHBondContact N-O 2.77Å; F303-L330 WeakPolarHBondContact CA-O 3.36Å; F303-L330 HydrophobicContact CD1-CB 4.01Å; F303-L330 HydrophobicContact CD1-CD2 4.17Å; F303-L330 HydrophobicContact CD1-CG 4.27Å; F303-L330 HydrophobicContact CE1-CD2 4.08Å; F303-I332 HydrophobicContact CB-CD1 3.76Å; F303-I332 HydrophobicContact CB-CG1 4.37Å; F303-I332 HydrophobicContact CG-CD1 4.36Å; F303-L366 HydrophobicContact CD1-CD2 3.73Å; F303-L366 HydrophobicContact CD2-CB 4.48Å; F303-L366 HydrophobicContact CD2-CD2 4.33Å; F303-L366 HydrophobicContact CE1-CD2 3.78Å; F303-L366 HydrophobicContact CE2-CB 4.09Å; F303-L366 HydrophobicContact CE2-CD2 4.37Å; F303-L366 HydrophobicContact CG-CD2 4.03Å; F303-L366 HydrophobicContact CZ-CB 4.25Å; F303-L366 HydrophobicContact CZ-CD2 4.12Å; F303-L366 WeakPolarHBondContact CZ-O 3.2Å; F303-L369 HydrophobicContact CE1-CB 4.08Å; F303-L369 HydrophobicContact CE1-CD1 4.08Å; F303-L369 HydrophobicContact CZ-CB 3.87Å; F303-D370 HydrophobicContact CE2-CB 4.42Å; F303-Y376 HydrophobicContact CD1-CE2 4.22Å; F303-Y376 AromaticContact CE1-CD2 3.92Å; F303-Y376 HydrophobicContact CE1-CD2 3.92Å; F303-Y376 AromaticContact CE1-CE2 3.8Å; F303-Y376 HydrophobicContact CE1-CE2 3.8Å; F303-Y376 HydrophobicContact CZ-CD2 4.32Å; F303-Y376 HydrophobicContact CZ-CE2 4.37Å
304	Y	98.5	Very high	96	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.016	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	131.5	175.8	-178.7	-92.1	0	0	0	110.2	A244 F246 M297 S306 N323 A324 L330 I332	A244-Y304 WeakPolarHBondContact O-CA 3.46Å; F246-Y304 HydrophobicContact CB-CE2 4.34Å; F246-Y304 AromaticContact CD2-CE2 3.77Å; F246-Y304 HydrophobicContact CD2-CE2 3.77Å; F246-Y304 HydrophobicContact CG-CE2 4.34Å; M297-Y304 HydrophobicContact CE-CD2 4.45Å; Y304-S306 WeakPolarHBondContact CD1-OG 3.46Å; Y304-S306 PolarHBondContact O-N 3.29Å; Y304-S306 VanDerWaalsContact O-N 3.15Å; Y304-N323 HydrophobicContact CD1-CB 4.41Å; Y304-N323 HydrophobicContact CE1-CB 3.7Å; Y304-N323 HydrophobicContact CE2-CB 4.16Å; Y304-N323 PolarHBondContact OH-ND2 3.27Å; Y304-A324 HydrophobicContact CD1-CB 3.86Å; Y304-A324 HydrophobicContact CG-CB 4.2Å; Y304-L330 PolarHBondContact N-O 2.88Å; Y304-L330 VanDerWaalsContact N-O 3.1Å; Y304-I332 PolarHBondContact O-N 2.95Å
305	L	98.7	Very high	96.4	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	98.8	173.3	-61.5	-170.2	0	0	0	110.1	V243 A244 W245 A260 L263 V269 F307 I332	V243-L305 HydrophobicContact CG1-CD1 4.23Å; V243-L305 HydrophobicContact CG1-CD2 3.61Å; V243-L305 HydrophobicContact CG1-CG 3.55Å; A244-L305 PolarHBondContact O-N 3.36Å; W245-L305 HydrophobicContact CB-CB 3.89Å; W245-L305 HydrophobicContact CB-CD1 3.89Å; W245-L305 HydrophobicContact CB-CG 4.07Å; W245-L305 VanDerWaalsContact CD1-CB 3.49Å; W245-L305 VanDerWaalsContact CD1-O 3.25Å; W245-L305 HydrophobicContact CD2-CB 4.4Å; W245-L305 HydrophobicContact CD2-CD1 4.02Å; W245-L305 HydrophobicContact CE3-CD1 4.29Å; W245-L305 HydrophobicContact CG-CB 3.68Å; W245-L305 HydrophobicContact CG-CD1 3.88Å; W245-L305 HydrophobicContact CG-CG 4.21Å; A260-L305 HydrophobicContact CB-CD1 4.07Å; L263-L305 HydrophobicContact CD2-CD1 4.32Å; L263-L305 HydrophobicContact CD2-CD2 3.9Å; V269-L305 HydrophobicContact CG1-CD1 4.01Å; L305-F307 HydrophobicContact CB-CD1 4.24Å; L305-F307 HydrophobicContact CB-CD2 4.33Å; L305-F307 HydrophobicContact CB-CE1 4.38Å; L305-F307 HydrophobicContact CB-CE2 4.48Å; L305-F307 HydrophobicContact CB-CG 4.24Å; L305-F307 HydrophobicContact CD1-CD2 4.21Å; L305-F307 HydrophobicContact CD1-CE2 3.82Å; L305-F307 HydrophobicContact CD1-CZ 4.17Å; L305-F307 HydrophobicContact CD2-CE1 3.98Å; L305-F307 HydrophobicContact CD2-CE2 4.29Å; L305-F307 HydrophobicContact CD2-CZ 3.78Å; L305-F307 HydrophobicContact CG-CE2 4.42Å; L305-F307 HydrophobicContact CG-CZ 4.37Å; L305-F307 PolarHBondContact O-N 3.26Å; L305-F307 VanDerWaalsContact O-N 3.09Å; L305-I332 HydrophobicContact CD2-CB 3.88Å; L305-I332 HydrophobicContact CD2-CD1 3.74Å; L305-I332 HydrophobicContact CD2-CG1 4.41Å; L305-I332 HydrophobicContact CD2-CG2 4.08Å
306	S	98.3	Very high	96.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	51.7	173.2	-58.5	0	0	0	0	111	Y304 K319 P331 I332	Y304-S306 WeakPolarHBondContact CD1-OG 3.46Å; Y304-S306 PolarHBondContact O-N 3.29Å; Y304-S306 VanDerWaalsContact O-N 3.15Å; S306-K319 WeakPolarHBondContact CB-O 3.39Å; S306-K319 PolarHBondContact OG-O 3.08Å; S306-P331 WeakPolarHBondContact OG-CB 3.39Å; S306-I332 PolarHBondContact N-O 2.79Å
307	F	98.4	Very high	96.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	117.9	-175.9	-69.2	-3.2	0	0	0	112.3	W245 R256 Y259 A260 L305 K319 I332 M334 V353	W245-F307 HydrophobicContact CZ2-CB 4.48Å; W245-F307 HydrophobicContact CZ2-CD2 4.26Å; R256-F307 HydrophobicContact CB-CB 3.82Å; R256-F307 HydrophobicContact CB-CD2 3.87Å; R256-F307 HydrophobicContact CB-CG 4.25Å; R256-F307 PolarHBondContact NH1-O 2.99Å; Y259-F307 AromaticContact CD1-CE2 3.88Å; Y259-F307 HydrophobicContact CD1-CE2 3.88Å; Y259-F307 AromaticContact CD1-CZ 3.73Å; Y259-F307 HydrophobicContact CD1-CZ 3.73Å; Y259-F307 HydrophobicContact CE1-CZ 4.12Å; Y259-F307 HydrophobicContact CG-CE2 4.38Å; Y259-F307 HydrophobicContact CG-CZ 4.47Å; A260-F307 HydrophobicContact CB-CE2 4.23Å; L305-F307 HydrophobicContact CB-CD1 4.24Å; L305-F307 HydrophobicContact CB-CD2 4.33Å; L305-F307 HydrophobicContact CB-CE1 4.38Å; L305-F307 HydrophobicContact CB-CE2 4.48Å; L305-F307 HydrophobicContact CB-CG 4.24Å; L305-F307 HydrophobicContact CD1-CD2 4.21Å; L305-F307 HydrophobicContact CD1-CE2 3.82Å; L305-F307 HydrophobicContact CD1-CZ 4.17Å; L305-F307 HydrophobicContact CD2-CE1 3.98Å; L305-F307 HydrophobicContact CD2-CE2 4.29Å; L305-F307 HydrophobicContact CD2-CZ 3.78Å; L305-F307 HydrophobicContact CG-CE2 4.42Å; L305-F307 HydrophobicContact CG-CZ 4.37Å; L305-F307 PolarHBondContact O-N 3.26Å; L305-F307 VanDerWaalsContact O-N 3.09Å; F307-K319 WeakPolarHBondContact O-CD 3.04Å; F307-I332 WeakPolarHBondContact CD1-O 3.1Å; F307-I332 HydrophobicContact CE1-CG2 3.95Å; F307-I332 WeakPolarHBondContact CE1-O 3.21Å; F307-I332 HydrophobicContact CZ-CG2 4.47Å; F307-M334 HydrophobicContact CB-CB 4.32Å; F307-M334 HydrophobicContact CD1-CB 3.44Å; F307-M334 VanDerWaalsContact CD1-CB 3.44Å; F307-M334 HydrophobicContact CD2-CE 4.35Å; F307-M334 HydrophobicContact CE1-CB 3.83Å; F307-M334 HydrophobicContact CE1-CE 4.39Å; F307-M334 HydrophobicContact CE2-CE 4.08Å; F307-M334 HydrophobicContact CG-CB 3.93Å; F307-M334 HydrophobicContact CG-SD 4.46Å; F307-M334 HydrophobicContact CZ-CE 4.1Å; F307-V353 HydrophobicContact CE1-CG1 3.7Å; F307-V353 HydrophobicContact CZ-CG1 3.92Å
308	E	97.8	Very high	96.9	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.106	C	C	.	.			trans	-71.8	147.4	178.1	-61.1	-59.9	171.2	0	0	112.6	S254 R256 S310 Y315 T317 K319 M334	S254-E308 WeakPolarHBondContact CB-O 3.29Å; S254-E308 PolarHBondContact OG-O 3Å; R256-E308 WeakPolarHBondContact CD-O 3.11Å; E308-S310 PolarHBondContact O-N 3.23Å; E308-Y315 HydrophobicContact CB-CD1 4.13Å; E308-Y315 HydrophobicContact CB-CE1 4.2Å; E308-Y315 HydrophobicContact CG-CD1 4.27Å; E308-T317 VanDerWaalsContact OE1-CB 3.31Å; E308-T317 WeakPolarHBondContact OE1-CB 3.12Å; E308-T317 WeakPolarHBondContact OE1-CG2 3.43Å; E308-T317 PolarHBondContact OE1-N 2.86Å; E308-T317 PolarHBondContact OE1-OG1 3.3Å; E308-T317 WeakPolarHBondContact OE2-CG2 3.48Å; E308-T317 PolarHBondContact OE2-OG1 3.24Å; E308-K319 IonicContact OE2-NZ 3.81Å; E308-K319 PolarHBondContact OE2-NZ 3.26Å; E308-K319 VanDerWaalsContact OE2-NZ 3.14Å; E308-M334 WeakPolarHBondContact CB-O 3.4Å; E308-M334 PolarHBondContact N-O 2.84Å
309	N	96.4	Very high	96.9	Very high	13 Å²	13	17.9 Å²	17.9	7%	0.07	9%	0.092	C	C	.	.	S	Bend	trans	-69.5	-12.8	177.2	52	-31.7	0	0	0	113.4	H185 P252 K253 S254 Y315	H185-N309 PolarHBondContact CD2-ND2 2.97Å; H185-N309 PolarHBondContact NE2-ND2 3.47Å; P252-N309 HydrophobicContact CB-CB 4.41Å; K253-N309 PolarHBondContact N-O 2.76Å; K253-N309 VanDerWaalsContact N-O 3.11Å; S254-N309 PolarHBondContact N-O 3.04Å; S254-N309 VanDerWaalsContact N-O 3.08Å; S254-N309 PolarHBondContact OG-O 3.36Å; N309-Y315 VanDerWaalsContact OD1-CE1 3.22Å; N309-Y315 WeakPolarHBondContact OD1-CE1 3.46Å; N309-Y315 PolarHBondContact OD1-OH 2.79Å; N309-Y315 VanDerWaalsContact OD1-OH 3.05Å
310	S	96.9	Very high	97	Very high	1 Å²	1	13 Å²	13	1%	0.007	7%	0.069	C	C	.	.	S	Bend	trans	-144.3	141.4	-176.5	-54	0	0	0	0	110.2	S182 V184 E308 C312	S182-S310 WeakPolarHBondContact CB-OG 3.47Å; S182-S310 VanDerWaalsContact OG-CB 3.31Å; S182-S310 WeakPolarHBondContact OG-CB 3.28Å; S182-S310 PolarHBondContact OG-OG 3.24Å; V184-S310 WeakPolarHBondContact CG2-OG 3.43Å; E308-S310 PolarHBondContact O-N 3.23Å; S310-C312 VanDerWaalsContact CB-SG 3.56Å; S310-C312 PolarHBondContact O-N 2.81Å
311	L	96.6	Very high	97	Very high	26 Å²	26	10.7 Å²	10.7	14%	0.136	6%	0.056	C	C	.	.			trans	-92.3	88.3	172.7	-59.6	-174.4	0	0	0	108.5	P255 M334 R428 L430	P255-L311 HydrophobicContact CG-CD1 4.33Å; L311-M334 HydrophobicContact CD2-CG 3.93Å; L311-R428 HydrophobicContact CB-CB 4.35Å; L311-R428 HydrophobicContact CB-CG 3.71Å; L311-L430 HydrophobicContact CD1-CD1 4.5Å; L311-L430 HydrophobicContact CD1-CD2 4.07Å; L311-L430 HydrophobicContact CD1-CG 3.86Å; L311-L430 HydrophobicContact CD2-CD2 4.04Å
312	C	97	Very high	96.8	Very high	1 Å²	1	14 Å²	14	1%	0.007	7%	0.071	C	C	.	.			trans	-131.8	150.4	-176.7	-52	0	0	0	0	111	S310 E314 Y315 A336 C425	S310-C312 VanDerWaalsContact CB-SG 3.56Å; S310-C312 PolarHBondContact O-N 2.81Å; C312-E314 PolarHBondContact O-N 3.19Å; C312-Y315 PolarHBondContact O-N 2.97Å; C312-A336 WeakPolarHBondContact O-CA 3.2Å; C312-C425 HydrophobicContact CB-CB 3.9Å; C312-C425 WeakPolarHBondContact CB-SG 3.07Å; C312-C425 WeakPolarHBondContact SG-CB 3.31Å; C312-C425 CovalentContact SG-SG 2.03Å; C312-C425 PolarHBondContact SG-SG 2.65Å
313	S	94.1	Very high	96.6	Very high	48 Å²	48	13.8 Å²	13.8	34%	0.336	7%	0.07	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	135.9	175.4	-105.6	0	0	0	0	110.5	Y315 E340 G424	S313-Y315 PolarHBondContact O-N 3.44Å; S313-E340 WeakPolarHBondContact CA-OE1 3.22Å; S313-E340 WeakPolarHBondContact CB-OE1 3.44Å; S313-E340 PolarHBondContact OG-OE1 2.03Å; S313-G424 PolarHBondContact N-O 2.83Å
314	E	93.5	Very high	96.5	Very high	37 Å²	37	13.8 Å²	13.8	17%	0.173	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	2.9	175.2	-48.7	-174.3	145.6	0	0	116.1	F202 R203 L204 C312 V316 E340 R343	F202-E314 HydrophobicContact CD2-CB 4.49Å; F202-E314 WeakPolarHBondContact CD2-O 3.29Å; R203-E314 WeakPolarHBondContact CA-OE2 3.31Å; L204-E314 WeakPolarHBondContact CD1-OE1 3.38Å; L204-E314 PolarHBondContact N-OE2 2.94Å; C312-E314 PolarHBondContact O-N 3.19Å; E314-V316 PolarHBondContact O-N 3.14Å; E314-E340 WeakPolarHBondContact CG-OE1 3.48Å; E314-E340 PolarHBondContact N-OE1 3.44Å; E314-R343 IonicContact OE1-NH2 2.72Å; E314-R343 PolarHBondContact OE1-NH2 2.94Å
315	Y	97.4	Very high	96.5	Very high	2 Å²	2	13.8 Å²	13.8	1%	0.008	7%	0.07	C	C	.	.			trans	-78	91.9	178.2	-173.2	-115.6	0	0	0	110.2	E181 F202 Y212 E308 N309 C312 S313 T317	E181-Y315 PolarHBondContact OE2-OH 3.1Å; F202-Y315 AromaticContact CD1-CD2 3.76Å; F202-Y315 HydrophobicContact CD1-CD2 3.76Å; F202-Y315 HydrophobicContact CD1-CE2 4.23Å; F202-Y315 HydrophobicContact CD2-CD2 4.19Å; F202-Y315 AromaticContact CE1-CD2 3.38Å; F202-Y315 HydrophobicContact CE1-CD2 3.38Å; F202-Y315 AromaticContact CE1-CE2 3.9Å; F202-Y315 HydrophobicContact CE1-CE2 3.9Å; F202-Y315 HydrophobicContact CE1-CG 4.43Å; F202-Y315 AromaticContact CE2-CD2 3.87Å; F202-Y315 HydrophobicContact CE2-CD2 3.87Å; F202-Y315 HydrophobicContact CE2-CG 4.27Å; F202-Y315 HydrophobicContact CG-CD2 4.15Å; F202-Y315 AromaticContact CZ-CD2 3.46Å; F202-Y315 HydrophobicContact CZ-CD2 3.46Å; F202-Y315 VanDerWaalsContact CZ-CD2 3.46Å; F202-Y315 HydrophobicContact CZ-CE2 4.36Å; F202-Y315 HydrophobicContact CZ-CG 4.1Å; Y212-Y315 HydrophobicContact CE2-CE2 4.35Å; E308-Y315 HydrophobicContact CB-CD1 4.13Å; E308-Y315 HydrophobicContact CB-CE1 4.2Å; E308-Y315 HydrophobicContact CG-CD1 4.27Å; N309-Y315 VanDerWaalsContact OD1-CE1 3.22Å; N309-Y315 WeakPolarHBondContact OD1-CE1 3.46Å; N309-Y315 PolarHBondContact OD1-OH 2.79Å; N309-Y315 VanDerWaalsContact OD1-OH 3.05Å; C312-Y315 PolarHBondContact O-N 2.97Å; S313-Y315 PolarHBondContact O-N 3.44Å; Y315-T317 HydrophobicContact CD1-CG2 4.32Å; Y315-T317 HydrophobicContact CD2-CG2 4.15Å; Y315-T317 HydrophobicContact CE1-CG2 3.83Å; Y315-T317 HydrophobicContact CE2-CG2 3.66Å; Y315-T317 HydrophobicContact CG-CG2 4.48Å; Y315-T317 VanDerWaalsContact CZ-CG2 3.48Å
316	V	96.7	Very high	96.3	Very high	6 Å²	6	16.8 Å²	16.8	4%	0.036	9%	0.086	C	C	.	.			trans	-128.4	117.1	-179.5	-179.5	0	0	0	0	108.6	E314 L320 Y321 A336 Y341 V344	E314-V316 PolarHBondContact O-N 3.14Å; V316-L320 HydrophobicContact CG1-CB 3.94Å; V316-L320 HydrophobicContact CG1-CD2 3.38Å; V316-L320 HydrophobicContact CG1-CG 4.3Å; V316-Y321 HydrophobicContact CG1-CE2 3.82Å; V316-A336 HydrophobicContact CG2-CB 4.22Å; V316-Y341 HydrophobicContact CB-CE1 4.31Å; V316-Y341 HydrophobicContact CG1-CD1 4.04Å; V316-Y341 HydrophobicContact CG1-CE1 3.69Å; V316-Y341 HydrophobicContact CG2-CD1 3.97Å; V316-Y341 HydrophobicContact CG2-CE1 3.75Å; V316-Y341 HydrophobicContact CG2-CE2 4.39Å; V316-Y341 HydrophobicContact CG2-CG 4.39Å; V316-V344 HydrophobicContact CB-CG2 4.48Å; V316-V344 HydrophobicContact CG1-CG2 4.35Å; V316-V344 HydrophobicContact CG2-CG2 4.33Å
317	T	96.1	Very high	96.1	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.092	C	C	.	.			trans	-111.7	-169.2	-163.1	71.1	0	0	0	0	114	Y212 E308 Y315 K319 L320 Y321	Y212-T317 HydrophobicContact CD1-CG2 4.08Å; Y212-T317 HydrophobicContact CD2-CG2 4.26Å; Y212-T317 HydrophobicContact CE1-CG2 4.02Å; Y212-T317 HydrophobicContact CE2-CG2 4.24Å; Y212-T317 HydrophobicContact CG-CG2 4.24Å; E308-T317 VanDerWaalsContact OE1-CB 3.31Å; E308-T317 WeakPolarHBondContact OE1-CB 3.12Å; E308-T317 WeakPolarHBondContact OE1-CG2 3.43Å; E308-T317 PolarHBondContact OE1-N 2.86Å; E308-T317 PolarHBondContact OE1-OG1 3.3Å; E308-T317 WeakPolarHBondContact OE2-CG2 3.48Å; E308-T317 PolarHBondContact OE2-OG1 3.24Å; Y315-T317 HydrophobicContact CD1-CG2 4.32Å; Y315-T317 HydrophobicContact CD2-CG2 4.15Å; Y315-T317 HydrophobicContact CE1-CG2 3.83Å; Y315-T317 HydrophobicContact CE2-CG2 3.66Å; Y315-T317 HydrophobicContact CG-CG2 4.48Å; Y315-T317 VanDerWaalsContact CZ-CG2 3.48Å; T317-K319 PolarHBondContact O-N 2.88Å; T317-K319 PolarHBondContact OG1-N 3.36Å; T317-K319 PolarHBondContact OG1-NZ 2.65Å; T317-L320 PolarHBondContact O-N 3.29Å; T317-L320 VanDerWaalsContact O-N 3.09Å; T317-Y321 VanDerWaalsContact O-CD2 3.26Å; T317-Y321 WeakPolarHBondContact O-CD2 3.18Å
318	E	94.5	Very high	96	Very high	50 Å²	50	18.3 Å²	18.3	23%	0.234	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-20.3	174.6	78.8	-66.6	154.5	0	0	112.7	Y212 L320 Y321 K322 N323	Y212-E318 HydrophobicContact CD1-CB 4.45Å; Y212-E318 VanDerWaalsContact CD1-OE2 3.25Å; Y212-E318 WeakPolarHBondContact CD1-OE2 3.09Å; Y212-E318 WeakPolarHBondContact CE1-OE2 3.04Å; E318-L320 VanDerWaalsContact C-N 3.27Å; E318-L320 PolarHBondContact O-N 2.92Å; E318-Y321 PolarHBondContact O-N 2.68Å; E318-K322 HydrophobicContact CB-CB 3.94Å; E318-K322 HydrophobicContact CB-CD 4.43Å; E318-K322 WeakPolarHBondContact O-CA 3.27Å; E318-K322 VanDerWaalsContact O-CB 3.29Å; E318-K322 WeakPolarHBondContact O-CB 3.28Å; E318-K322 PolarHBondContact O-N 2.87Å; E318-N323 PolarHBondContact O-N 3.42Å
319	K	96	Very high	96	Very high	22 Å²	22	18.3 Å²	18.3	10%	0.096	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-34.9	177.9	-66.7	170.6	-154.9	62.1	0	112.5	S306 F307 E308 T317	S306-K319 WeakPolarHBondContact CB-O 3.39Å; S306-K319 PolarHBondContact OG-O 3.08Å; F307-K319 WeakPolarHBondContact O-CD 3.04Å; E308-K319 IonicContact OE2-NZ 3.81Å; E308-K319 PolarHBondContact OE2-NZ 3.26Å; E308-K319 VanDerWaalsContact OE2-NZ 3.14Å; T317-K319 PolarHBondContact O-N 2.88Å; T317-K319 PolarHBondContact OG1-N 3.36Å; T317-K319 PolarHBondContact OG1-NZ 2.65Å
320	L	97.9	Very high	96.1	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-55.4	174.2	176.5	65	0	0	0	110.2	V316 T317 E318 A324 L325 P331 V333 Y341 A345	V316-L320 HydrophobicContact CG1-CB 3.94Å; V316-L320 HydrophobicContact CG1-CD2 3.38Å; V316-L320 HydrophobicContact CG1-CG 4.3Å; T317-L320 PolarHBondContact O-N 3.29Å; T317-L320 VanDerWaalsContact O-N 3.09Å; E318-L320 VanDerWaalsContact C-N 3.27Å; E318-L320 PolarHBondContact O-N 2.92Å; L320-A324 WeakPolarHBondContact O-CB 3.31Å; L320-L325 HydrophobicContact CD1-CD1 3.95Å; L320-L325 HydrophobicContact CD1-CG 4.22Å; L320-L325 HydrophobicContact CG-CD1 3.91Å; L320-L325 HydrophobicContact CG-CG 4.5Å; L320-L325 WeakPolarHBondContact O-CG 2.97Å; L320-L325 PolarHBondContact O-N 3.49Å; L320-P331 HydrophobicContact CD1-CB 3.71Å; L320-P331 HydrophobicContact CD1-CG 3.55Å; L320-V333 HydrophobicContact CD1-CG1 3.91Å; L320-Y341 HydrophobicContact CD2-CD1 4.01Å; L320-Y341 HydrophobicContact CD2-CE1 4.23Å; L320-A345 HydrophobicContact CD2-CB 4.06Å
321	Y	96.2	Very high	96.2	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.008	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-71.9	-169	-53.2	-73.7	0	0	0	112.1	G213 V316 T317 E318 L325 N326 V344 I388	G213-Y321 VanDerWaalsContact C-CZ 3.49Å; G213-Y321 VanDerWaalsContact CA-CD2 3.49Å; G213-Y321 WeakPolarHBondContact O-CE2 3.33Å; G213-Y321 VanDerWaalsContact O-CZ 3.23Å; G213-Y321 PolarHBondContact O-OH 2.93Å; V316-Y321 HydrophobicContact CG1-CE2 3.82Å; T317-Y321 VanDerWaalsContact O-CD2 3.26Å; T317-Y321 WeakPolarHBondContact O-CD2 3.18Å; E318-Y321 PolarHBondContact O-N 2.68Å; Y321-L325 HydrophobicContact CD1-CD1 4.37Å; Y321-L325 PolarHBondContact O-N 3.08Å; Y321-N326 WeakPolarHBondContact O-CB 3.49Å; Y321-N326 PolarHBondContact O-N 2.89Å; Y321-V344 WeakPolarHBondContact OH-CB 3.44Å; Y321-V344 VanDerWaalsContact OH-CG2 3.25Å; Y321-V344 WeakPolarHBondContact OH-CG2 3.38Å; Y321-I388 HydrophobicContact CD1-CG2 3.96Å; Y321-I388 HydrophobicContact CG-CG2 4.37Å
322	K	94.4	Very high	96.3	Very high	71 Å²	71	16.4 Å²	16.4	31%	0.309	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-56	-177.6	-172	173.7	-172.4	166.8	0	112.8	E318 N327 D390	E318-K322 HydrophobicContact CB-CB 3.94Å; E318-K322 HydrophobicContact CB-CD 4.43Å; E318-K322 WeakPolarHBondContact O-CA 3.27Å; E318-K322 VanDerWaalsContact O-CB 3.29Å; E318-K322 WeakPolarHBondContact O-CB 3.28Å; E318-K322 PolarHBondContact O-N 2.87Å; K322-N327 PolarHBondContact O-ND2 2.89Å; K322-D390 WeakPolarHBondContact CB-OD2 3.11Å; K322-D390 WeakPolarHBondContact CD-OD2 3.46Å; K322-D390 WeakPolarHBondContact CG-OD2 3.5Å
323	N	94.4	Very high	96.4	Very high	6 Å²	6	16.4 Å²	16.4	3%	0.032	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-28.5	-166.1	-62.9	-16.3	0	0	0	112.5	S289 Y304 E318	S289-N323 WeakPolarHBondContact CB-OD1 3.36Å; Y304-N323 HydrophobicContact CD1-CB 4.41Å; Y304-N323 HydrophobicContact CE1-CB 3.7Å; Y304-N323 HydrophobicContact CE2-CB 4.16Å; Y304-N323 PolarHBondContact OH-ND2 3.27Å; E318-N323 PolarHBondContact O-N 3.42Å
324	A	96.9	Very high	96.6	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-70.9	-176.1	0	0	0	0	0	113.1	Y304 L320 N326 N327 E328 L329 P331	Y304-A324 HydrophobicContact CD1-CB 3.86Å; Y304-A324 HydrophobicContact CG-CB 4.2Å; L320-A324 WeakPolarHBondContact O-CB 3.31Å; A324-N326 PolarHBondContact O-N 2.03Å; A324-N327 CarbonylContact O-C 3.52Å; A324-N327 WeakPolarHBondContact O-CA 3.44Å; A324-N327 PolarHBondContact O-N 3.06Å; A324-E328 PolarHBondContact O-N 2.71Å; A324-E328 VanDerWaalsContact O-N 3.08Å; A324-L329 CarbonylContact C-O 3.59Å; A324-L329 PolarHBondContact O-N 3.12Å; A324-P331 HydrophobicContact CB-CB 3.7Å; A324-P331 HydrophobicContact CB-CG 4.29Å
325	L	97.2	Very high	96.8	Very high	4 Å²	4	12.3 Å²	12.3	2%	0.021	6%	0.06	C	C	.	.	G	3₁₀ helix	trans	-60.8	-47.8	-171.2	-66.1	175	0	0	0	112.5	L320 Y321 N327 E328 P331 P346 W382 I388	L320-L325 HydrophobicContact CD1-CD1 3.95Å; L320-L325 HydrophobicContact CD1-CG 4.22Å; L320-L325 HydrophobicContact CG-CD1 3.91Å; L320-L325 HydrophobicContact CG-CG 4.5Å; L320-L325 WeakPolarHBondContact O-CG 2.97Å; L320-L325 PolarHBondContact O-N 3.49Å; Y321-L325 HydrophobicContact CD1-CD1 4.37Å; Y321-L325 PolarHBondContact O-N 3.08Å; L325-N327 PolarHBondContact O-N 2.8Å; L325-N327 VanDerWaalsContact O-N 3.13Å; L325-E328 PolarHBondContact O-N 3.29Å; L325-E328 VanDerWaalsContact O-N 3.15Å; L325-P331 HydrophobicContact CD2-CG 3.85Å; L325-P331 HydrophobicContact CG-CG 4.24Å; L325-P346 HydrophobicContact CD1-CG 4.17Å; L325-W382 HydrophobicContact CB-CH2 4.3Å; L325-W382 HydrophobicContact CB-CZ2 4.21Å; L325-W382 HydrophobicContact CD2-CZ2 3.77Å; L325-I388 HydrophobicContact CB-CD1 4.34Å; L325-I388 HydrophobicContact CB-CG1 4.2Å; L325-I388 HydrophobicContact CD1-CD1 3.85Å
326	N	95.3	Very high	96.8	Very high	64 Å²	64	12.2 Å²	12.2	34%	0.342	6%	0.059	S	C	.	.	G	3₁₀ helix	trans	-63.9	-17	176.7	-86.3	-20	0	0	0	114	Y321 A324 I388	Y321-N326 WeakPolarHBondContact O-CB 3.49Å; Y321-N326 PolarHBondContact O-N 2.89Å; A324-N326 PolarHBondContact O-N 2.03Å; N326-I388 VanDerWaalsContact OD1-CB 3.24Å; N326-I388 WeakPolarHBondContact OD1-CB 3.29Å; N326-I388 WeakPolarHBondContact OD1-CG2 3.18Å
327	N	94.7	Very high	96.8	Very high	22 Å²	22	13.2 Å²	13.2	12%	0.118	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	-112.5	17.6	179.9	-75.3	-75.6	0	0	0	112.8	L294 R298 K322 A324 L325 L329	L294-N327 WeakPolarHBondContact CB-OD1 3.46Å; R298-N327 WeakPolarHBondContact CA-O 3.13Å; R298-N327 HydrophobicContact CB-CB 4.4Å; R298-N327 VanDerWaalsContact CB-O 3.22Å; R298-N327 WeakPolarHBondContact CB-O 3.32Å; R298-N327 VanDerWaalsContact CG-O 3.23Å; R298-N327 WeakPolarHBondContact CG-O 3.22Å; K322-N327 PolarHBondContact O-ND2 2.89Å; A324-N327 CarbonylContact O-C 3.52Å; A324-N327 WeakPolarHBondContact O-CA 3.44Å; A324-N327 PolarHBondContact O-N 3.06Å; L325-N327 PolarHBondContact O-N 2.8Å; L325-N327 VanDerWaalsContact O-N 3.13Å; N327-L329 VanDerWaalsContact C-N 3.26Å; N327-L329 HydrophobicContact CB-CD1 3.55Å; N327-L329 WeakPolarHBondContact O-CD1 3.46Å; N327-L329 PolarHBondContact O-N 3.16Å
328	E	96.2	Very high	96.8	Very high	9 Å²	9	15 Å²	15	4%	0.042	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	42.6	174.7	-53.4	177.1	164.1	0	0	113.1	R233 I235 K239 R298 A324 L325 H383	R233-E328 IonicContact CZ-OE1 3.88Å; R233-E328 IonicContact CZ-OE2 3.63Å; R233-E328 IonicContact NH1-OE2 3.55Å; R233-E328 IonicContact NH2-OE1 2.67Å; R233-E328 PolarHBondContact NH2-OE1 2.82Å; R233-E328 IonicContact NH2-OE2 2.77Å; R233-E328 PolarHBondContact NH2-OE2 2.87Å; I235-E328 HydrophobicContact CG2-CB 3.98Å; K239-E328 WeakPolarHBondContact CE-O 3.45Å; K239-E328 PolarHBondContact NZ-O 2.99Å; R298-E328 HydrophobicContact CG-CB 4.34Å; R298-E328 IonicContact CZ-OE1 3.54Å; R298-E328 IonicContact CZ-OE2 3.54Å; R298-E328 IonicContact NE-OE1 3.64Å; R298-E328 IonicContact NE-OE2 2.89Å; R298-E328 PolarHBondContact NE-OE2 3.08Å; R298-E328 IonicContact NH2-OE1 2.69Å; R298-E328 PolarHBondContact NH2-OE1 3.04Å; R298-E328 IonicContact NH2-OE2 3.38Å; R298-E328 PolarHBondContact NH2-OE2 3.31Å; A324-E328 PolarHBondContact O-N 2.71Å; A324-E328 VanDerWaalsContact O-N 3.08Å; L325-E328 PolarHBondContact O-N 3.29Å; L325-E328 VanDerWaalsContact O-N 3.15Å; E328-H383 IonicContact OE1-NE2 3.14Å
329	L	98	Very high	96.8	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.088	C	C	.	.			trans	-111.7	145	167.3	-60.6	107.2	0	0	0	108.7	M297 Y301 A324 N327 P331	M297-L329 HydrophobicContact CB-CD1 4.12Å; M297-L329 HydrophobicContact CB-CD2 4.34Å; M297-L329 HydrophobicContact CE-CD2 3.35Å; Y301-L329 WeakPolarHBondContact O-CD2 3.36Å; A324-L329 CarbonylContact C-O 3.59Å; A324-L329 PolarHBondContact O-N 3.12Å; N327-L329 VanDerWaalsContact C-N 3.26Å; N327-L329 HydrophobicContact CB-CD1 3.55Å; N327-L329 WeakPolarHBondContact O-CD1 3.46Å; N327-L329 PolarHBondContact O-N 3.16Å; L329-P331 WeakPolarHBondContact O-CD 3.15Å
330	L	98.7	Very high	96.7	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.005	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	110.1	176	176.9	48	0	0	0	108.3	K302 F303 Y304 I332 S349 I351 L369 Y376 Y379 F380	K302-L330 PolarHBondContact O-N 3.46Å; F303-L330 WeakPolarHBondContact CA-O 3.36Å; F303-L330 HydrophobicContact CD1-CB 4.01Å; F303-L330 HydrophobicContact CD1-CD2 4.17Å; F303-L330 HydrophobicContact CD1-CG 4.27Å; F303-L330 HydrophobicContact CE1-CD2 4.08Å; Y304-L330 PolarHBondContact N-O 2.88Å; Y304-L330 VanDerWaalsContact N-O 3.1Å; L330-I332 PolarHBondContact O-N 3.08Å; L330-S349 WeakPolarHBondContact CD1-O 3.49Å; L330-I351 HydrophobicContact CD1-CG1 4.33Å; L330-I351 HydrophobicContact CD2-CD1 3.63Å; L330-I351 HydrophobicContact CD2-CG1 4.1Å; L330-I351 HydrophobicContact CG-CD1 4.03Å; L330-I351 HydrophobicContact CG-CG1 4.21Å; L330-L369 HydrophobicContact CD2-CD1 3.99Å; L330-Y376 HydrophobicContact CB-CE2 3.94Å; L330-Y376 HydrophobicContact CD2-CD2 4.26Å; L330-Y376 HydrophobicContact CD2-CE2 4.2Å; L330-Y379 HydrophobicContact CD1-CD1 3.66Å; L330-Y379 HydrophobicContact CD1-CE1 4.43Å; L330-Y379 HydrophobicContact CD1-CG 3.74Å; L330-Y379 HydrophobicContact CD2-CD1 4.16Å; L330-Y379 HydrophobicContact CD2-CD2 3.63Å; L330-Y379 HydrophobicContact CD2-CE2 4.17Å; L330-Y379 HydrophobicContact CD2-CG 3.61Å; L330-Y379 HydrophobicContact CG-CG 4.35Å; L330-F380 HydrophobicContact CB-CE2 4.07Å; L330-F380 HydrophobicContact CB-CZ 4.01Å
331	P	98.8	Very high	96.6	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	131.2	179.6	26.6	-35.7	0	0	0	111.4	S306 L320 A324 L325 L329 V333 S349 F350 I351	S306-P331 WeakPolarHBondContact OG-CB 3.39Å; L320-P331 HydrophobicContact CD1-CB 3.71Å; L320-P331 HydrophobicContact CD1-CG 3.55Å; A324-P331 HydrophobicContact CB-CB 3.7Å; A324-P331 HydrophobicContact CB-CG 4.29Å; L325-P331 HydrophobicContact CD2-CG 3.85Å; L325-P331 HydrophobicContact CG-CG 4.24Å; L329-P331 WeakPolarHBondContact O-CD 3.15Å; P331-V333 HydrophobicContact CB-CG1 4.08Å; P331-S349 VanDerWaalsContact CD-O 3.3Å; P331-S349 WeakPolarHBondContact CD-O 3.11Å; P331-S349 WeakPolarHBondContact CG-O 3.4Å; P331-F350 HydrophobicContact CB-CB 4.46Å; P331-F350 HydrophobicContact CG-CB 3.72Å; P331-I351 PolarHBondContact O-N 3.11Å
332	I	98.9	Very high	96.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	108	165.3	-56.6	163.6	0	0	0	106.6	V243 F303 Y304 L305 S306 F307 L330 I351 V353 L362 L366	V243-I332 HydrophobicContact CG1-CD1 4.44Å; V243-I332 HydrophobicContact CG2-CD1 4.49Å; F303-I332 HydrophobicContact CB-CD1 3.76Å; F303-I332 HydrophobicContact CB-CG1 4.37Å; F303-I332 HydrophobicContact CG-CD1 4.36Å; Y304-I332 PolarHBondContact O-N 2.95Å; L305-I332 HydrophobicContact CD2-CB 3.88Å; L305-I332 HydrophobicContact CD2-CD1 3.74Å; L305-I332 HydrophobicContact CD2-CG1 4.41Å; L305-I332 HydrophobicContact CD2-CG2 4.08Å; S306-I332 PolarHBondContact N-O 2.79Å; F307-I332 WeakPolarHBondContact CD1-O 3.1Å; F307-I332 HydrophobicContact CE1-CG2 3.95Å; F307-I332 WeakPolarHBondContact CE1-O 3.21Å; F307-I332 HydrophobicContact CZ-CG2 4.47Å; L330-I332 PolarHBondContact O-N 3.08Å; I332-I351 CarbonylContact C-O 3.53Å; I332-I351 VanDerWaalsContact CA-O 3.25Å; I332-I351 WeakPolarHBondContact CA-O 3.09Å; I332-I351 HydrophobicContact CG1-CB 4.49Å; I332-V353 HydrophobicContact CG2-CG1 4.16Å; I332-L362 HydrophobicContact CG2-CD1 4.48Å; I332-L362 HydrophobicContact CG2-CD2 3.84Å; I332-L366 HydrophobicContact CD1-CD1 3.5Å; I332-L366 VanDerWaalsContact CD1-CD1 3.5Å; I332-L366 HydrophobicContact CD1-CD2 3.75Å; I332-L366 HydrophobicContact CD1-CG 4.26Å; I332-L366 HydrophobicContact CG1-CD2 4.19Å
333	V	98.8	Very high	96.4	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	144.1	-168.7	-61.7	0	0	0	0	112.5	L320 P331 Y341 F350 I351 H352 V353	L320-V333 HydrophobicContact CD1-CG1 3.91Å; P331-V333 HydrophobicContact CB-CG1 4.08Å; V333-Y341 HydrophobicContact CB-CD1 4.14Å; V333-Y341 HydrophobicContact CB-CE1 3.58Å; V333-Y341 HydrophobicContact CB-CE2 4.08Å; V333-Y341 HydrophobicContact CG1-CD1 3.99Å; V333-Y341 HydrophobicContact CG1-CE1 3.53Å; V333-Y341 HydrophobicContact CG2-CD1 4.05Å; V333-Y341 HydrophobicContact CG2-CD2 4.09Å; V333-Y341 HydrophobicContact CG2-CE1 3.98Å; V333-Y341 HydrophobicContact CG2-CE2 4.04Å; V333-Y341 HydrophobicContact CG2-CG 4.12Å; V333-F350 HydrophobicContact CG1-CB 4.23Å; V333-F350 HydrophobicContact CG2-CB 4.44Å; V333-F350 HydrophobicContact CG2-CD2 3.52Å; V333-F350 HydrophobicContact CG2-CE2 4.13Å; V333-F350 HydrophobicContact CG2-CG 4.24Å; V333-I351 WeakPolarHBondContact CG2-O 2.97Å; V333-I351 PolarHBondContact N-O 3.22Å; V333-H352 HydrophobicContact CG2-CB 3.83Å; V333-H352 VanDerWaalsContact CG2-CD2 3.47Å; V333-H352 WeakPolarHBondContact CG2-CD2 3.43Å; V333-V353 WeakPolarHBondContact O-CG1 3.4Å; V333-V353 PolarHBondContact O-N 2.82Å; V333-V353 VanDerWaalsContact O-N 3.11Å
334	M	98.3	Very high	96.2	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	116	170.9	175.2	-169.3	-68.3	0	0	107.7	P255 R256 Y259 F307 E308 L311 V353 L430	P255-M334 HydrophobicContact CG-SD 4.45Å; R256-M334 HydrophobicContact CB-SD 4Å; Y259-M334 VanDerWaalsContact CB-CE 3.45Å; Y259-M334 HydrophobicContact CD1-CE 3.96Å; Y259-M334 HydrophobicContact CD2-CE 3.29Å; Y259-M334 HydrophobicContact CE2-CE 4.02Å; Y259-M334 HydrophobicContact CG-CE 3.29Å; F307-M334 HydrophobicContact CB-CB 4.32Å; F307-M334 HydrophobicContact CD1-CB 3.44Å; F307-M334 VanDerWaalsContact CD1-CB 3.44Å; F307-M334 HydrophobicContact CD2-CE 4.35Å; F307-M334 HydrophobicContact CE1-CB 3.83Å; F307-M334 HydrophobicContact CE1-CE 4.39Å; F307-M334 HydrophobicContact CE2-CE 4.08Å; F307-M334 HydrophobicContact CG-CB 3.93Å; F307-M334 HydrophobicContact CG-SD 4.46Å; F307-M334 HydrophobicContact CZ-CE 4.1Å; E308-M334 WeakPolarHBondContact CB-O 3.4Å; E308-M334 PolarHBondContact N-O 2.84Å; L311-M334 HydrophobicContact CD2-CG 3.93Å; M334-V353 HydrophobicContact CB-CG1 4.23Å; M334-V353 HydrophobicContact CB-CG2 3.85Å; M334-V353 HydrophobicContact CE-CB 4.5Å; M334-V353 HydrophobicContact CE-CG1 4.14Å; M334-V353 HydrophobicContact CE-CG2 4.08Å; M334-V353 HydrophobicContact CG-CG2 4Å; M334-L430 HydrophobicContact CE-CD1 3.64Å; M334-L430 HydrophobicContact CG-CD1 4.12Å; M334-L430 HydrophobicContact CG-CD2 3.91Å; M334-L430 HydrophobicContact SD-CD1 3.78Å
335	G	97.5	Very high	96.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	176.6	-110.9	-178.5	0	0	0	0	0	110.8	R428	G335-R428 PolarHBondContact O-NE 3.39Å; G335-R428 PolarHBondContact O-NH2 3.01Å
336	A	96.8	Very high	96.1	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	-55.7	176.1	168	0	0	0	0	0	113.1	C312 V316 E340 Y341 H352 R428	C312-A336 WeakPolarHBondContact O-CA 3.2Å; V316-A336 HydrophobicContact CG2-CB 4.22Å; A336-E340 HydrophobicContact CB-CB 3.74Å; A336-E340 HydrophobicContact CB-CG 4.45Å; A336-E340 WeakPolarHBondContact CB-OE2 3.39Å; A336-Y341 HydrophobicContact CB-CD2 4.19Å; A336-Y341 HydrophobicContact CB-CE2 3.93Å; A336-H352 PolarHBondContact O-NE2 3.2Å; A336-R428 PolarHBondContact O-NE 3.35Å; A336-R428 PolarHBondContact O-NH2 3.49Å
337	S	96.2	Very high	96.1	Very high	27 Å²	27	22.4 Å²	22.4	19%	0.189	11%	0.108	C	C	.	.			trans	-72.5	165.8	175.6	91.9	0	0	0	0	112.2	E339 E340 Y341	S337-E339 VanDerWaalsContact C-N 3.29Å; S337-E339 VanDerWaalsContact CB-OE2 3.29Å; S337-E339 WeakPolarHBondContact CB-OE2 3.47Å; S337-E339 PolarHBondContact O-N 2.98Å; S337-E339 PolarHBondContact OG-N 2.92Å; S337-E339 PolarHBondContact OG-OE2 3.06Å; S337-E340 PolarHBondContact N-OE2 3.46Å; S337-E340 PolarHBondContact O-N 2.89Å; S337-E340 VanDerWaalsContact O-N 3.16Å; S337-E340 WeakPolarHBondContact OG-CG 3.34Å; S337-E340 PolarHBondContact OG-N 2.73Å; S337-Y341 VanDerWaalsContact O-CD2 3.31Å; S337-Y341 WeakPolarHBondContact O-CD2 3.41Å; S337-Y341 PolarHBondContact O-N 2.71Å; S337-Y341 VanDerWaalsContact O-N 3.12Å
338	I	96.7	Very high	96.1	Very high	36 Å²	36	25.6 Å²	25.6	19%	0.185	12%	0.119	C	C	.	.	H	α-helix	trans	-56.1	-48	177.4	-63.5	172.5	0	0	0	110	E340 Y341 E342 H352 D354 Q355	I338-E340 PolarHBondContact O-N 3.3Å; I338-Y341 PolarHBondContact O-N 3.43Å; I338-Y341 VanDerWaalsContact O-N 3.12Å; I338-E342 HydrophobicContact CG2-CG 4.3Å; I338-E342 WeakPolarHBondContact O-CG 3.38Å; I338-E342 PolarHBondContact O-N 2.87Å; I338-H352 HydrophobicContact CG1-CB 3.87Å; I338-D354 HydrophobicContact CD1-CB 4.37Å; I338-Q355 HydrophobicContact CD1-CG 3.89Å
339	E	94.4	Very high	96.2	Very high	108 Å²	108	25.2 Å²	25.2	51%	0.505	12%	0.117	S	C	.	.	H	α-helix	trans	-64.4	-30.2	-178.1	-54	75	-164.2	0	0	111.8	S337 R343	S337-E339 VanDerWaalsContact C-N 3.29Å; S337-E339 VanDerWaalsContact CB-OE2 3.29Å; S337-E339 WeakPolarHBondContact CB-OE2 3.47Å; S337-E339 PolarHBondContact O-N 2.98Å; S337-E339 PolarHBondContact OG-N 2.92Å; S337-E339 PolarHBondContact OG-OE2 3.06Å; E339-R343 WeakPolarHBondContact O-CG 3.13Å; E339-R343 PolarHBondContact O-N 3.47Å; E339-R343 PolarHBondContact O-NH1 3.39Å; E339-R343 VanDerWaalsContact O-NH1 3.16Å
340	E	94.3	Very high	96.3	Very high	17 Å²	17	25.9 Å²	25.9	8%	0.079	12%	0.12	C	C	.	.	H	α-helix	trans	-71.5	-40.4	175	-63.3	-179.1	112.4	0	0	111.7	S313 E314 A336 S337 I338 R343	S313-E340 WeakPolarHBondContact CA-OE1 3.22Å; S313-E340 WeakPolarHBondContact CB-OE1 3.44Å; S313-E340 PolarHBondContact OG-OE1 2.03Å; E314-E340 WeakPolarHBondContact CG-OE1 3.48Å; E314-E340 PolarHBondContact N-OE1 3.44Å; A336-E340 HydrophobicContact CB-CB 3.74Å; A336-E340 HydrophobicContact CB-CG 4.45Å; A336-E340 WeakPolarHBondContact CB-OE2 3.39Å; S337-E340 PolarHBondContact N-OE2 3.46Å; S337-E340 PolarHBondContact O-N 2.89Å; S337-E340 VanDerWaalsContact O-N 3.16Å; S337-E340 WeakPolarHBondContact OG-CG 3.34Å; S337-E340 PolarHBondContact OG-N 2.73Å; I338-E340 PolarHBondContact O-N 3.3Å; E340-R343 PolarHBondContact O-N 3.46Å
341	Y	96.3	Very high	96.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-65.6	-41.5	172.3	-82.5	-84.7	0	0	0	112	V316 L320 V333 A336 S337 I338 R343 V344 A345 F350 H352	V316-Y341 HydrophobicContact CB-CE1 4.31Å; V316-Y341 HydrophobicContact CG1-CD1 4.04Å; V316-Y341 HydrophobicContact CG1-CE1 3.69Å; V316-Y341 HydrophobicContact CG2-CD1 3.97Å; V316-Y341 HydrophobicContact CG2-CE1 3.75Å; V316-Y341 HydrophobicContact CG2-CE2 4.39Å; V316-Y341 HydrophobicContact CG2-CG 4.39Å; L320-Y341 HydrophobicContact CD2-CD1 4.01Å; L320-Y341 HydrophobicContact CD2-CE1 4.23Å; V333-Y341 HydrophobicContact CB-CD1 4.14Å; V333-Y341 HydrophobicContact CB-CE1 3.58Å; V333-Y341 HydrophobicContact CB-CE2 4.08Å; V333-Y341 HydrophobicContact CG1-CD1 3.99Å; V333-Y341 HydrophobicContact CG1-CE1 3.53Å; V333-Y341 HydrophobicContact CG2-CD1 4.05Å; V333-Y341 HydrophobicContact CG2-CD2 4.09Å; V333-Y341 HydrophobicContact CG2-CE1 3.98Å; V333-Y341 HydrophobicContact CG2-CE2 4.04Å; V333-Y341 HydrophobicContact CG2-CG 4.12Å; A336-Y341 HydrophobicContact CB-CD2 4.19Å; A336-Y341 HydrophobicContact CB-CE2 3.93Å; S337-Y341 VanDerWaalsContact O-CD2 3.31Å; S337-Y341 WeakPolarHBondContact O-CD2 3.41Å; S337-Y341 PolarHBondContact O-N 2.71Å; S337-Y341 VanDerWaalsContact O-N 3.12Å; I338-Y341 PolarHBondContact O-N 3.43Å; I338-Y341 VanDerWaalsContact O-N 3.12Å; Y341-R343 PolarHBondContact O-N 2.96Å; Y341-V344 PolarHBondContact O-N 2.95Å; Y341-V344 VanDerWaalsContact O-N 3.17Å; Y341-A345 VanDerWaalsContact O-CB 3.24Å; Y341-A345 WeakPolarHBondContact O-CB 3.3Å; Y341-A345 PolarHBondContact O-N 3.05Å; Y341-F350 HydrophobicContact CG-CE2 4.38Å; Y341-F350 HydrophobicContact CG-CZ 4.4Å; Y341-H352 AromaticContact CD2-CD2 3.63Å; Y341-H352 AromaticContact CD2-NE2 4Å; Y341-H352 AromaticContact CE2-CD2 3.91Å; Y341-H352 AromaticContact CE2-NE2 3.96Å
342	E	94.3	Very high	96.3	Very high	88 Å²	88	25.8 Å²	25.8	41%	0.411	12%	0.12	S	C	.	.	H	α-helix	trans	-61.2	-28.7	179	-71.7	174.3	161.5	0	0	113.2	P224 I338 V344 F350	P224-E342 WeakPolarHBondContact CB-O 3.45Å; P224-E342 WeakPolarHBondContact CG-O 3.26Å; I338-E342 HydrophobicContact CG2-CG 4.3Å; I338-E342 WeakPolarHBondContact O-CG 3.38Å; I338-E342 PolarHBondContact O-N 2.87Å; E342-V344 VanDerWaalsContact C-N 3.34Å; E342-F350 HydrophobicContact CG-CE1 4.27Å; E342-F350 HydrophobicContact CG-CZ 3.81Å
343	R	90.9	Very high	96.3	Very high	121 Å²	121	25.8 Å²	25.8	46%	0.457	12%	0.12	S	C	.	.	H	α-helix	trans	-71.1	-25.7	177.4	-74.8	-168	-50.2	-91.1	18.6	114	E314 E339 E340 Y341	E314-R343 IonicContact OE1-NH2 2.72Å; E314-R343 PolarHBondContact OE1-NH2 2.94Å; E339-R343 WeakPolarHBondContact O-CG 3.13Å; E339-R343 PolarHBondContact O-N 3.47Å; E339-R343 PolarHBondContact O-NH1 3.39Å; E339-R343 VanDerWaalsContact O-NH1 3.16Å; E340-R343 PolarHBondContact O-N 3.46Å; Y341-R343 PolarHBondContact O-N 2.96Å
344	V	91.8	Very high	96.2	Very high	25 Å²	25	26.9 Å²	26.9	15%	0.152	13%	0.125	C	C	.	.	H	α-helix	trans	-120.5	-24.5	-167.7	-58.5	0	0	0	0	113.9	V316 Y321 Y341 E342	V316-V344 HydrophobicContact CB-CG2 4.48Å; V316-V344 HydrophobicContact CG1-CG2 4.35Å; V316-V344 HydrophobicContact CG2-CG2 4.33Å; Y321-V344 WeakPolarHBondContact OH-CB 3.44Å; Y321-V344 VanDerWaalsContact OH-CG2 3.25Å; Y321-V344 WeakPolarHBondContact OH-CG2 3.38Å; Y341-V344 PolarHBondContact O-N 2.95Å; Y341-V344 VanDerWaalsContact O-N 3.17Å; E342-V344 VanDerWaalsContact C-N 3.34Å
345	A	95.5	Very high	96.2	Very high	6 Å²	6	30.7 Å²	30.7	5%	0.05	14%	0.143	C	C	.	.	S	Bend	trans	-84.7	160.2	176.1	0	0	0	0	0	111.3	L320 Y341 F350	L320-A345 HydrophobicContact CD2-CB 4.06Å; Y341-A345 VanDerWaalsContact O-CB 3.24Å; Y341-A345 WeakPolarHBondContact O-CB 3.3Å; Y341-A345 PolarHBondContact O-N 3.05Å; A345-F350 HydrophobicContact CB-CD1 3.74Å; A345-F350 HydrophobicContact CB-CE1 3.87Å
346	P	96.4	Very high	96.3	Very high	1 Å²	1	32 Å²	32	1%	0.006	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-57.7	152.1	167	-14.9	23.9	0	0	0	111.7	Y215 L325 Y348 S349 W382 I388	Y215-P346 HydrophobicContact CD1-CB 4.03Å; Y215-P346 HydrophobicContact CD1-CG 4.32Å; Y215-P346 HydrophobicContact CD2-CB 3.94Å; Y215-P346 HydrophobicContact CD2-CG 3.61Å; Y215-P346 HydrophobicContact CE1-CB 4.16Å; Y215-P346 HydrophobicContact CE2-CB 4.03Å; Y215-P346 HydrophobicContact CE2-CG 4.12Å; Y215-P346 HydrophobicContact CG-CB 3.91Å; Y215-P346 HydrophobicContact CG-CG 3.7Å; L325-P346 HydrophobicContact CD1-CG 4.17Å; P346-Y348 PolarHBondContact O-N 3.33Å; P346-S349 WeakPolarHBondContact CD-OG 3.38Å; P346-S349 VanDerWaalsContact O-CB 3.27Å; P346-S349 WeakPolarHBondContact O-CB 3.27Å; P346-S349 PolarHBondContact O-N 3.44Å; P346-S349 PolarHBondContact O-OG 3Å; P346-W382 HydrophobicContact CB-CB 3.7Å; P346-W382 HydrophobicContact CB-CD2 3.61Å; P346-W382 HydrophobicContact CB-CE3 3.98Å; P346-W382 HydrophobicContact CB-CG 3.47Å; P346-W382 VanDerWaalsContact CB-CG 3.47Å; P346-W382 HydrophobicContact CG-CD2 3.74Å; P346-W382 HydrophobicContact CG-CE3 3.84Å; P346-W382 HydrophobicContact CG-CG 4.15Å; P346-W382 HydrophobicContact CG-CZ2 4.48Å; P346-W382 HydrophobicContact CG-CZ3 4.26Å; P346-I388 HydrophobicContact CG-CD1 3.54Å
347	P	94.7	Very high	96.3	Very high	10 Å²	10	38.1 Å²	38.1	7%	0.065	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	133.4	174.2	-29.9	37.5	0	0	0	112.4	G223 P224 T226 Y228 S349	G223-P347 VanDerWaalsContact O-CG 3.25Å; G223-P347 WeakPolarHBondContact O-CG 2.97Å; P224-P347 VanDerWaalsContact O-CB 3.3Å; P224-P347 WeakPolarHBondContact O-CB 3.28Å; T226-P347 VanDerWaalsContact O-CB 3.29Å; T226-P347 WeakPolarHBondContact O-CB 3.32Å; Y228-P347 HydrophobicContact CE2-CB 4.37Å; Y228-P347 HydrophobicContact CE2-CG 3.95Å; P347-S349 VanDerWaalsContact C-N 3.27Å; P347-S349 PolarHBondContact O-N 3.11Å
348	Y	95.5	Very high	96.4	Very high	89 Å²	89	38.4 Å²	38.4	35%	0.349	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	40.3	174.1	-61.8	-84.4	0	0	0	114.1	E225 R227 P346 Y379	E225-Y348 PolarHBondContact OE2-OH 3.06Å; R227-Y348 VanDerWaalsContact CD-CE2 3.48Å; R227-Y348 VanDerWaalsContact CZ-OH 3.28Å; R227-Y348 PolarHBondContact NE-OH 2.85Å; R227-Y348 PolarHBondContact NH2-OH 2.84Å; P346-Y348 PolarHBondContact O-N 3.33Å; Y348-Y379 CarbonylContact O-C 3.51Å; Y348-Y379 WeakPolarHBondContact O-CA 3.2Å; Y348-Y379 VanDerWaalsContact O-CD1 3.25Å; Y348-Y379 WeakPolarHBondContact O-CD1 3.36Å
349	S	98.1	Very high	96.5	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.007	17%	0.171	C	C	.	.			trans	-109.5	-0.6	-170.6	64.9	0	0	0	0	115.9	L330 P331 P346 P347	L330-S349 WeakPolarHBondContact CD1-O 3.49Å; P331-S349 VanDerWaalsContact CD-O 3.3Å; P331-S349 WeakPolarHBondContact CD-O 3.11Å; P331-S349 WeakPolarHBondContact CG-O 3.4Å; P346-S349 WeakPolarHBondContact CD-OG 3.38Å; P346-S349 VanDerWaalsContact O-CB 3.27Å; P346-S349 WeakPolarHBondContact O-CB 3.27Å; P346-S349 PolarHBondContact O-N 3.44Å; P346-S349 PolarHBondContact O-OG 3Å; P347-S349 VanDerWaalsContact C-N 3.27Å; P347-S349 PolarHBondContact O-N 3.11Å
350	F	98.6	Very high	96.7	Very high	13 Å²	13	32.8 Å²	32.8	6%	0.057	16%	0.157	C	C	.	.			trans	-143	161	-176.7	65.8	-91.6	0	0	0	112.5	P331 V333 Y341 E342 A345 H352 Y379	P331-F350 HydrophobicContact CB-CB 4.46Å; P331-F350 HydrophobicContact CG-CB 3.72Å; V333-F350 HydrophobicContact CG1-CB 4.23Å; V333-F350 HydrophobicContact CG2-CB 4.44Å; V333-F350 HydrophobicContact CG2-CD2 3.52Å; V333-F350 HydrophobicContact CG2-CE2 4.13Å; V333-F350 HydrophobicContact CG2-CG 4.24Å; Y341-F350 HydrophobicContact CG-CE2 4.38Å; Y341-F350 HydrophobicContact CG-CZ 4.4Å; E342-F350 HydrophobicContact CG-CE1 4.27Å; E342-F350 HydrophobicContact CG-CZ 3.81Å; A345-F350 HydrophobicContact CB-CD1 3.74Å; A345-F350 HydrophobicContact CB-CE1 3.87Å; F350-H352 HydrophobicContact CD2-CB 4.12Å; F350-H352 HydrophobicContact CE2-CB 3.92Å; F350-Y379 WeakPolarHBondContact O-CE1 3.35Å
351	I	98.9	Very high	96.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	123.1	169.7	-61.7	173.8	0	0	0	107.8	L330 P331 I332 V333 F356 L362 Y365 L366 L369 Y379	L330-I351 HydrophobicContact CD1-CG1 4.33Å; L330-I351 HydrophobicContact CD2-CD1 3.63Å; L330-I351 HydrophobicContact CD2-CG1 4.1Å; L330-I351 HydrophobicContact CG-CD1 4.03Å; L330-I351 HydrophobicContact CG-CG1 4.21Å; P331-I351 PolarHBondContact O-N 3.11Å; I332-I351 CarbonylContact C-O 3.53Å; I332-I351 VanDerWaalsContact CA-O 3.25Å; I332-I351 WeakPolarHBondContact CA-O 3.09Å; I332-I351 HydrophobicContact CG1-CB 4.49Å; V333-I351 WeakPolarHBondContact CG2-O 2.97Å; V333-I351 PolarHBondContact N-O 3.22Å; I351-F356 HydrophobicContact CG2-CE2 3.48Å; I351-F356 VanDerWaalsContact CG2-CE2 3.48Å; I351-F356 HydrophobicContact CG2-CZ 4.02Å; I351-L362 HydrophobicContact CG2-CD1 3.71Å; I351-Y365 HydrophobicContact CD1-CD1 4.16Å; I351-Y365 HydrophobicContact CD1-CE1 3.92Å; I351-Y365 HydrophobicContact CG1-CE1 4.4Å; I351-L366 HydrophobicContact CD1-CD2 3.75Å; I351-L369 HydrophobicContact CD1-CD1 3.6Å; I351-Y379 HydrophobicContact CG1-CE1 3.91Å
352	H	98.8	Very high	97	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	133.6	179.4	-169.1	-71.6	0	0	0	110.8	V333 A336 I338 Y341 F350 D354 Q355 R428	V333-H352 HydrophobicContact CG2-CB 3.83Å; V333-H352 VanDerWaalsContact CG2-CD2 3.47Å; V333-H352 WeakPolarHBondContact CG2-CD2 3.43Å; A336-H352 PolarHBondContact O-NE2 3.2Å; I338-H352 HydrophobicContact CG1-CB 3.87Å; Y341-H352 AromaticContact CD2-CD2 3.63Å; Y341-H352 AromaticContact CD2-NE2 4Å; Y341-H352 AromaticContact CE2-CD2 3.91Å; Y341-H352 AromaticContact CE2-NE2 3.96Å; F350-H352 HydrophobicContact CD2-CB 4.12Å; F350-H352 HydrophobicContact CE2-CB 3.92Å; H352-D354 IonicContact CE1-OD2 3.51Å; H352-D354 PolarHBondContact CE1-OD2 3.01Å; H352-D354 VanDerWaalsContact CE1-OD2 3.26Å; H352-D354 WeakPolarHBondContact ND1-CB 3.33Å; H352-D354 PolarHBondContact ND1-N 3.17Å; H352-D354 IonicContact ND1-OD2 3.5Å; H352-D354 PolarHBondContact O-N 2.99Å; H352-D354 VanDerWaalsContact O-N 3.13Å; H352-Q355 HydrophobicContact CB-CG 4.22Å; H352-Q355 VanDerWaalsContact O-CB 3.27Å; H352-Q355 WeakPolarHBondContact O-CB 3.35Å; H352-Q355 WeakPolarHBondContact O-CG 3.4Å; H352-Q355 PolarHBondContact O-N 2.63Å; H352-Q355 PolarHBondContact O-OE1 2.88Å; H352-R428 PolarHBondContact CE1-NH2 3.25Å; H352-R428 VanDerWaalsContact CE1-NH2 3.28Å; H352-R428 PolarHBondContact NE2-NH2 2.98Å
353	V	98.7	Very high	97.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-56	-33.8	-176.5	-68.4	0	0	0	0	114	Y259 F307 I332 V333 M334 Q355 F356 L362 L430	Y259-V353 HydrophobicContact CD1-CG1 4.47Å; Y259-V353 HydrophobicContact CE1-CB 4.41Å; Y259-V353 HydrophobicContact CE1-CG1 3.81Å; Y259-V353 HydrophobicContact CE2-CB 3.91Å; Y259-V353 HydrophobicContact CE2-CG1 4.13Å; F307-V353 HydrophobicContact CE1-CG1 3.7Å; F307-V353 HydrophobicContact CZ-CG1 3.92Å; I332-V353 HydrophobicContact CG2-CG1 4.16Å; V333-V353 WeakPolarHBondContact O-CG1 3.4Å; V333-V353 PolarHBondContact O-N 2.82Å; V333-V353 VanDerWaalsContact O-N 3.11Å; M334-V353 HydrophobicContact CB-CG1 4.23Å; M334-V353 HydrophobicContact CB-CG2 3.85Å; M334-V353 HydrophobicContact CE-CB 4.5Å; M334-V353 HydrophobicContact CE-CG1 4.14Å; M334-V353 HydrophobicContact CE-CG2 4.08Å; M334-V353 HydrophobicContact CG-CG2 4Å; V353-Q355 PolarHBondContact O-N 2.91Å; V353-F356 PolarHBondContact O-N 2.91Å; V353-F356 VanDerWaalsContact O-N 3.14Å; V353-L362 HydrophobicContact CG1-CD2 4.3Å; V353-L430 HydrophobicContact CG2-CD2 4.13Å
354	D	98.2	Very high	97.6	Very high	22 Å²	22	31.2 Å²	31.2	12%	0.118	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-71.2	-9.6	179.2	-66.7	-24.4	0	0	0	114.5	I338 H352 F356 R428 L430 R431	I338-D354 HydrophobicContact CD1-CB 4.37Å; H352-D354 IonicContact CE1-OD2 3.51Å; H352-D354 PolarHBondContact CE1-OD2 3.01Å; H352-D354 VanDerWaalsContact CE1-OD2 3.26Å; H352-D354 WeakPolarHBondContact ND1-CB 3.33Å; H352-D354 PolarHBondContact ND1-N 3.17Å; H352-D354 IonicContact ND1-OD2 3.5Å; H352-D354 PolarHBondContact O-N 2.99Å; H352-D354 VanDerWaalsContact O-N 3.13Å; D354-F356 PolarHBondContact O-N 2.85Å; D354-R428 IonicContact OD2-CZ 2.88Å; D354-R428 VanDerWaalsContact OD2-CZ 3.22Å; D354-R428 IonicContact OD2-NH1 3.95Å; D354-R428 PolarHBondContact OD2-NH1 3.13Å; D354-R428 IonicContact OD2-NH2 3.59Å; D354-R428 PolarHBondContact OD2-NH2 3.09Å; D354-L430 WeakPolarHBondContact OD1-CA 3.35Å; D354-R431 HydrophobicContact CB-CB 4.06Å; D354-R431 WeakPolarHBondContact O-CD 3.3Å; D354-R431 PolarHBondContact O-NH1 2.89Å; D354-R431 PolarHBondContact OD1-N 3.42Å
355	Q	98.4	Very high	97.9	Very high	81 Å²	81	33.3 Å²	33.3	38%	0.379	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-67.4	-16.4	169.2	-65.4	171.2	-43.8	0	0	111.7	I338 H352 V353 R431	I338-Q355 HydrophobicContact CD1-CG 3.89Å; H352-Q355 HydrophobicContact CB-CG 4.22Å; H352-Q355 VanDerWaalsContact O-CB 3.27Å; H352-Q355 WeakPolarHBondContact O-CB 3.35Å; H352-Q355 WeakPolarHBondContact O-CG 3.4Å; H352-Q355 PolarHBondContact O-N 2.63Å; H352-Q355 PolarHBondContact O-OE1 2.88Å; V353-Q355 PolarHBondContact O-N 2.91Å; Q355-R431 PolarHBondContact O-NH1 2.79Å
356	F	98.5	Very high	98.1	Very high	28 Å²	28	33 Å²	33	12%	0.123	16%	0.159	C	C	.	.	S	Bend	trans	-118.1	147.5	-175.7	-54.3	-87.6	0	0	0	111.6	I351 V353 D354 S358 K361 L362 Y365	I351-F356 HydrophobicContact CG2-CE2 3.48Å; I351-F356 VanDerWaalsContact CG2-CE2 3.48Å; I351-F356 HydrophobicContact CG2-CZ 4.02Å; V353-F356 PolarHBondContact O-N 2.91Å; V353-F356 VanDerWaalsContact O-N 3.14Å; D354-F356 PolarHBondContact O-N 2.85Å; F356-S358 VanDerWaalsContact C-N 3.3Å; F356-S358 PolarHBondContact O-N 3.11Å; F356-K361 HydrophobicContact CB-CB 4.25Å; F356-K361 HydrophobicContact CD1-CB 4.36Å; F356-L362 HydrophobicContact CB-CB 4.14Å; F356-L362 HydrophobicContact CD1-CB 4.33Å; F356-L362 HydrophobicContact CD2-CB 3.96Å; F356-L362 HydrophobicContact CD2-CD1 3.68Å; F356-L362 HydrophobicContact CD2-CG 4.35Å; F356-L362 HydrophobicContact CE2-CD1 3.51Å; F356-L362 HydrophobicContact CG-CB 3.85Å; F356-L362 HydrophobicContact CG-CD1 4.32Å; F356-L362 HydrophobicContact CZ-CD1 3.98Å; F356-Y365 VanDerWaalsContact CE1-CB 3.48Å; F356-Y365 AromaticContact CE1-CD1 3.9Å; F356-Y365 HydrophobicContact CE1-CD1 3.9Å; F356-Y365 HydrophobicContact CE1-CD2 4.49Å; F356-Y365 AromaticContact CE1-CG 3.71Å; F356-Y365 HydrophobicContact CE1-CG 3.71Å; F356-Y365 AromaticContact CZ-CD1 3.45Å; F356-Y365 HydrophobicContact CZ-CD1 3.45Å; F356-Y365 VanDerWaalsContact CZ-CD1 3.45Å; F356-Y365 HydrophobicContact CZ-CE1 4.15Å; F356-Y365 AromaticContact CZ-CG 3.79Å; F356-Y365 HydrophobicContact CZ-CG 3.79Å
357	E	97.1	Very high	98.2	Very high	127 Å²	127	36.1 Å²	36.1	59%	0.593	17%	0.172	S	C	*	.	S	Bend	trans	-69.7	-28.7	176.7	-67.9	174.4	175.3	0	0	112.9	R431	E357-R431 VanDerWaalsContact CG-NH2 3.27Å; E357-R431 IonicContact OE1-NH2 3.97Å
358	S	97.8	Very high	98.4	Very high	34 Å²	34	40.9 Å²	40.9	24%	0.238	19%	0.19	C	C	.	.	S	Bend	trans	-156.1	161.4	-176.8	70.2	0	0	0	0	112	F356 A360 K361 L362	F356-S358 VanDerWaalsContact C-N 3.3Å; F356-S358 PolarHBondContact O-N 3.11Å; S358-A360 PolarHBondContact O-N 3.45Å; S358-A360 PolarHBondContact OG-N 3.17Å; S358-K361 PolarHBondContact O-N 3.24Å; S358-K361 VanDerWaalsContact O-N 3.09Å; S358-K361 PolarHBondContact OG-N 2.87Å; S358-L362 PolarHBondContact O-N 3.4Å; S358-L362 VanDerWaalsContact O-N 3.08Å
359	P	98.6	Very high	98.6	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.006	17%	0.173	C	C	.	.	H	α-helix	trans	-56.7	-29.7	172	-24.7	32.8	0	0	0	113.5	Y259 E262 L263 L362 A363 W432	Y259-P359 HydrophobicContact CD1-CB 4.31Å; Y259-P359 HydrophobicContact CD1-CG 4.04Å; Y259-P359 HydrophobicContact CD2-CG 4.1Å; Y259-P359 HydrophobicContact CE1-CB 3.89Å; Y259-P359 HydrophobicContact CE1-CG 3.81Å; Y259-P359 HydrophobicContact CE2-CG 3.88Å; Y259-P359 HydrophobicContact CG-CG 4.16Å; E262-P359 HydrophobicContact CB-CB 4.23Å; E262-P359 HydrophobicContact CB-CG 3.97Å; E262-P359 HydrophobicContact CG-CB 3.92Å; E262-P359 HydrophobicContact CG-CG 3.73Å; L263-P359 HydrophobicContact CB-CB 4.08Å; L263-P359 HydrophobicContact CD1-CB 4.29Å; L263-P359 VanDerWaalsContact CD1-O 3.28Å; L263-P359 WeakPolarHBondContact CD1-O 3.44Å; P359-L362 PolarHBondContact O-N 2.72Å; P359-A363 WeakPolarHBondContact O-CB 3.31Å; P359-A363 PolarHBondContact O-N 3.05Å; P359-W432 HydrophobicContact CG-CD2 4.22Å; P359-W432 HydrophobicContact CG-CG 4.47Å; P359-W432 HydrophobicContact CG-CZ2 4.13Å
360	A	98.6	Very high	98.6	Very high	25 Å²	25	38.1 Å²	38.1	21%	0.207	18%	0.181	C	C	.	.	H	α-helix	trans	-65.8	-43.6	175.1	0	0	0	0	0	112	S358 A363 D364	S358-A360 PolarHBondContact O-N 3.45Å; S358-A360 PolarHBondContact OG-N 3.17Å; A360-A363 WeakPolarHBondContact O-CB 3.43Å; A360-A363 PolarHBondContact O-N 2.9Å; A360-D364 PolarHBondContact O-N 3.29Å
361	K	98.7	Very high	98.5	Very high	113 Å²	113	46 Å²	46	49%	0.491	22%	0.215	S	C	.	.	H	α-helix	trans	-66.2	-38.7	175.8	-69.8	-61.1	-173.8	-176.3	0	112.3	F356 S358 D364 Y365	F356-K361 HydrophobicContact CB-CB 4.25Å; F356-K361 HydrophobicContact CD1-CB 4.36Å; S358-K361 PolarHBondContact O-N 3.24Å; S358-K361 VanDerWaalsContact O-N 3.09Å; S358-K361 PolarHBondContact OG-N 2.87Å; K361-D364 PolarHBondContact O-N 3.42Å; K361-Y365 PolarHBondContact O-N 2.87Å
362	L	98.8	Very high	98.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59.8	-48.1	170	172.5	63.8	0	0	0	110.6	Y259 L263 I332 I351 V353 F356 S358 P359 D364 Y365 L366	Y259-L362 HydrophobicContact CE1-CD2 3.89Å; L263-L362 HydrophobicContact CD1-CD2 4.15Å; L263-L362 HydrophobicContact CD1-CG 4.31Å; L263-L362 HydrophobicContact CD2-CD2 4.35Å; I332-L362 HydrophobicContact CG2-CD1 4.48Å; I332-L362 HydrophobicContact CG2-CD2 3.84Å; I351-L362 HydrophobicContact CG2-CD1 3.71Å; V353-L362 HydrophobicContact CG1-CD2 4.3Å; F356-L362 HydrophobicContact CB-CB 4.14Å; F356-L362 HydrophobicContact CD1-CB 4.33Å; F356-L362 HydrophobicContact CD2-CB 3.96Å; F356-L362 HydrophobicContact CD2-CD1 3.68Å; F356-L362 HydrophobicContact CD2-CG 4.35Å; F356-L362 HydrophobicContact CE2-CD1 3.51Å; F356-L362 HydrophobicContact CG-CB 3.85Å; F356-L362 HydrophobicContact CG-CD1 4.32Å; F356-L362 HydrophobicContact CZ-CD1 3.98Å; S358-L362 PolarHBondContact O-N 3.4Å; S358-L362 VanDerWaalsContact O-N 3.08Å; P359-L362 PolarHBondContact O-N 2.72Å; L362-D364 VanDerWaalsContact C-N 3.29Å; L362-D364 PolarHBondContact O-N 3.01Å; L362-Y365 WeakPolarHBondContact O-CB 3.49Å; L362-Y365 PolarHBondContact O-N 3.45Å; L362-Y365 VanDerWaalsContact O-N 3.08Å; L362-L366 HydrophobicContact CD1-CD1 4.21Å; L362-L366 HydrophobicContact CD1-CD2 4.21Å; L362-L366 HydrophobicContact CD1-CG 4.01Å; L362-L366 HydrophobicContact CG-CD1 4.01Å; L362-L366 HydrophobicContact CG-CG 4.24Å; L362-L366 WeakPolarHBondContact O-CG 3.23Å; L362-L366 PolarHBondContact O-N 3.17Å
363	A	98.9	Very high	98.5	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-58.5	-38.7	178.8	0	0	0	0	0	113.2	L263 H266 I267 P359 A360 Y365 L366 K367	L263-A363 HydrophobicContact CD1-CB 3.95Å; H266-A363 HydrophobicContact CB-CB 3.38Å; I267-A363 HydrophobicContact CB-CB 4Å; I267-A363 HydrophobicContact CG2-CB 3.9Å; P359-A363 WeakPolarHBondContact O-CB 3.31Å; P359-A363 PolarHBondContact O-N 3.05Å; A360-A363 WeakPolarHBondContact O-CB 3.43Å; A360-A363 PolarHBondContact O-N 2.9Å; A363-Y365 VanDerWaalsContact C-N 3.35Å; A363-L366 PolarHBondContact O-N 3.48Å; A363-K367 VanDerWaalsContact O-CG 3.25Å; A363-K367 WeakPolarHBondContact O-CG 3.47Å; A363-K367 PolarHBondContact O-N 3.06Å
364	D	98.9	Very high	98.5	Very high	80 Å²	80	55.1 Å²	55.1	43%	0.428	27%	0.267	S	S	.	.	H	α-helix	trans	-63.2	-41.8	175.1	-70.1	-20.2	0	0	0	111.8	A360 K361 L362 K367 Y368	A360-D364 PolarHBondContact O-N 3.29Å; K361-D364 PolarHBondContact O-N 3.42Å; L362-D364 VanDerWaalsContact C-N 3.29Å; L362-D364 PolarHBondContact O-N 3.01Å; D364-K367 PolarHBondContact O-N 3.36Å; D364-K367 IonicContact OD1-NZ 3.62Å; D364-K367 PolarHBondContact OD1-NZ 3.24Å; D364-Y368 PolarHBondContact O-N 2.95Å
365	Y	98.9	Very high	98.5	Very high	68 Å²	68	54.3 Å²	54.3	27%	0.267	26%	0.263	S	S	.	.	H	α-helix	trans	-65.6	-41.9	175.2	-173	-113.1	0	0	0	112.6	I351 F356 K361 L362 A363 K367 Y368 L369 Y379	I351-Y365 HydrophobicContact CD1-CD1 4.16Å; I351-Y365 HydrophobicContact CD1-CE1 3.92Å; I351-Y365 HydrophobicContact CG1-CE1 4.4Å; F356-Y365 VanDerWaalsContact CE1-CB 3.48Å; F356-Y365 AromaticContact CE1-CD1 3.9Å; F356-Y365 HydrophobicContact CE1-CD1 3.9Å; F356-Y365 HydrophobicContact CE1-CD2 4.49Å; F356-Y365 AromaticContact CE1-CG 3.71Å; F356-Y365 HydrophobicContact CE1-CG 3.71Å; F356-Y365 AromaticContact CZ-CD1 3.45Å; F356-Y365 HydrophobicContact CZ-CD1 3.45Å; F356-Y365 VanDerWaalsContact CZ-CD1 3.45Å; F356-Y365 HydrophobicContact CZ-CE1 4.15Å; F356-Y365 AromaticContact CZ-CG 3.79Å; F356-Y365 HydrophobicContact CZ-CG 3.79Å; K361-Y365 PolarHBondContact O-N 2.87Å; L362-Y365 WeakPolarHBondContact O-CB 3.49Å; L362-Y365 PolarHBondContact O-N 3.45Å; L362-Y365 VanDerWaalsContact O-N 3.08Å; A363-Y365 VanDerWaalsContact C-N 3.35Å; Y365-K367 VanDerWaalsContact C-N 3.32Å; Y365-K367 PolarHBondContact O-N 3.02Å; Y365-Y368 HydrophobicContact CD2-CD1 4.01Å; Y365-Y368 AromaticContact CE2-CD1 3.84Å; Y365-Y368 HydrophobicContact CE2-CD1 3.84Å; Y365-Y368 HydrophobicContact CE2-CE1 4.13Å; Y365-Y368 WeakPolarHBondContact O-CB 3.45Å; Y365-Y368 PolarHBondContact O-N 3.25Å; Y365-Y368 VanDerWaalsContact O-N 3.11Å; Y365-L369 HydrophobicContact CD1-CD1 4Å; Y365-L369 HydrophobicContact CD1-CG 4.39Å; Y365-L369 HydrophobicContact CE1-CD1 3.53Å; Y365-L369 HydrophobicContact CE1-CD2 4.45Å; Y365-L369 HydrophobicContact CE1-CG 4.02Å; Y365-L369 PolarHBondContact O-N 2.98Å; Y365-Y379 HydrophobicContact CE1-CE2 4.44Å; Y365-Y379 WeakPolarHBondContact CE1-OH 3.36Å; Y365-Y379 PolarHBondContact OH-OH 3.29Å
366	L	98.9	Very high	98.5	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-63.1	-37.2	175.1	-62.7	177	0	0	0	112.1	V243 I267 F303 I332 I351 L362 A363 Y368 L369 D370	V243-L366 HydrophobicContact CG2-CD1 4.09Å; I267-L366 HydrophobicContact CD1-CB 3.53Å; I267-L366 HydrophobicContact CD1-CD1 4.12Å; F303-L366 HydrophobicContact CD1-CD2 3.73Å; F303-L366 HydrophobicContact CD2-CB 4.48Å; F303-L366 HydrophobicContact CD2-CD2 4.33Å; F303-L366 HydrophobicContact CE1-CD2 3.78Å; F303-L366 HydrophobicContact CE2-CB 4.09Å; F303-L366 HydrophobicContact CE2-CD2 4.37Å; F303-L366 HydrophobicContact CG-CD2 4.03Å; F303-L366 HydrophobicContact CZ-CB 4.25Å; F303-L366 HydrophobicContact CZ-CD2 4.12Å; F303-L366 WeakPolarHBondContact CZ-O 3.2Å; I332-L366 HydrophobicContact CD1-CD1 3.5Å; I332-L366 VanDerWaalsContact CD1-CD1 3.5Å; I332-L366 HydrophobicContact CD1-CD2 3.75Å; I332-L366 HydrophobicContact CD1-CG 4.26Å; I332-L366 HydrophobicContact CG1-CD2 4.19Å; I351-L366 HydrophobicContact CD1-CD2 3.75Å; L362-L366 HydrophobicContact CD1-CD1 4.21Å; L362-L366 HydrophobicContact CD1-CD2 4.21Å; L362-L366 HydrophobicContact CD1-CG 4.01Å; L362-L366 HydrophobicContact CG-CD1 4.01Å; L362-L366 HydrophobicContact CG-CG 4.24Å; L362-L366 WeakPolarHBondContact O-CG 3.23Å; L362-L366 PolarHBondContact O-N 3.17Å; A363-L366 PolarHBondContact O-N 3.48Å; L366-Y368 VanDerWaalsContact C-N 3.33Å; L366-L369 PolarHBondContact O-N 3.1Å; L366-D370 VanDerWaalsContact O-CB 3.26Å; L366-D370 WeakPolarHBondContact O-CB 3.41Å; L366-D370 PolarHBondContact O-N 3.41Å
367	K	98.8	Very high	98.4	Very high	66 Å²	66	49.6 Å²	49.6	29%	0.287	24%	0.242	S	C	.	.	H	α-helix	trans	-67	-32.8	173	-70.5	165	-165.8	160.1	0	112.5	H266 I267 A363 D364 Y365 K371	H266-K367 WeakPolarHBondContact O-CE 3.5Å; H266-K367 PolarHBondContact O-NZ 3.45Å; I267-K367 HydrophobicContact CD1-CG 4.38Å; A363-K367 VanDerWaalsContact O-CG 3.25Å; A363-K367 WeakPolarHBondContact O-CG 3.47Å; A363-K367 PolarHBondContact O-N 3.06Å; D364-K367 PolarHBondContact O-N 3.36Å; D364-K367 IonicContact OD1-NZ 3.62Å; D364-K367 PolarHBondContact OD1-NZ 3.24Å; Y365-K367 VanDerWaalsContact C-N 3.32Å; Y365-K367 PolarHBondContact O-N 3.02Å; K367-K371 WeakPolarHBondContact O-CG 3.39Å; K367-K371 PolarHBondContact O-N 2.96Å
368	Y	98.8	Very high	98.5	Very high	110 Å²	110	48.7 Å²	48.7	43%	0.431	24%	0.238	S	C	.	.	H	α-helix	trans	-65.2	-51.8	172.7	158.6	-102.9	0	0	0	110.6	D364 Y365 L366 D370 K371 N372 A375	D364-Y368 PolarHBondContact O-N 2.95Å; Y365-Y368 HydrophobicContact CD2-CD1 4.01Å; Y365-Y368 AromaticContact CE2-CD1 3.84Å; Y365-Y368 HydrophobicContact CE2-CD1 3.84Å; Y365-Y368 HydrophobicContact CE2-CE1 4.13Å; Y365-Y368 WeakPolarHBondContact O-CB 3.45Å; Y365-Y368 PolarHBondContact O-N 3.25Å; Y365-Y368 VanDerWaalsContact O-N 3.11Å; L366-Y368 VanDerWaalsContact C-N 3.33Å; Y368-D370 VanDerWaalsContact C-N 3.28Å; Y368-D370 PolarHBondContact O-N 2.95Å; Y368-K371 PolarHBondContact O-N 2.79Å; Y368-N372 HydrophobicContact CD2-CB 4.5Å; Y368-N372 HydrophobicContact CE2-CB 4.06Å; Y368-N372 PolarHBondContact O-N 2.97Å; Y368-N372 PolarHBondContact OH-ND2 3.04Å; Y368-N372 VanDerWaalsContact OH-ND2 3.07Å; Y368-A375 HydrophobicContact CE1-CB 3.79Å; Y368-A375 WeakPolarHBondContact OH-CB 3.33Å
369	L	98.7	Very high	98.5	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-61	-37.4	177.2	-67.1	-178.6	0	0	0	112.2	F303 L330 I351 Y365 L366 K371 N372 A375 Y376 Y379	F303-L369 HydrophobicContact CE1-CB 4.08Å; F303-L369 HydrophobicContact CE1-CD1 4.08Å; F303-L369 HydrophobicContact CZ-CB 3.87Å; L330-L369 HydrophobicContact CD2-CD1 3.99Å; I351-L369 HydrophobicContact CD1-CD1 3.6Å; Y365-L369 HydrophobicContact CD1-CD1 4Å; Y365-L369 HydrophobicContact CD1-CG 4.39Å; Y365-L369 HydrophobicContact CE1-CD1 3.53Å; Y365-L369 HydrophobicContact CE1-CD2 4.45Å; Y365-L369 HydrophobicContact CE1-CG 4.02Å; Y365-L369 PolarHBondContact O-N 2.98Å; L366-L369 PolarHBondContact O-N 3.1Å; L369-K371 PolarHBondContact O-N 3.07Å; L369-N372 CarbonylContact O-C 3.57Å; L369-N372 PolarHBondContact O-N 2.96Å; L369-A375 HydrophobicContact CD2-CB 3.8Å; L369-Y376 HydrophobicContact CB-CD2 4.48Å; L369-Y379 HydrophobicContact CD1-CD2 4.33Å; L369-Y379 HydrophobicContact CD1-CE2 3.85Å; L369-Y379 HydrophobicContact CD2-CE2 4.12Å
370	D	98.5	Very high	98.4	Very high	32 Å²	32	48.6 Å²	48.6	17%	0.171	23%	0.232	C	C	.	.	H	α-helix	trans	-60.4	-28.5	175.1	-178.9	46.7	0	0	0	113.1	K242 K302 F303 L366 Y368	K242-D370 WeakPolarHBondContact CE-OD2 3.28Å; K302-D370 WeakPolarHBondContact CD-OD1 3.27Å; K302-D370 WeakPolarHBondContact CE-OD1 3.31Å; K302-D370 PolarHBondContact NZ-O 3.41Å; K302-D370 IonicContact NZ-OD1 2.82Å; K302-D370 PolarHBondContact NZ-OD1 3.07Å; F303-D370 HydrophobicContact CE2-CB 4.42Å; L366-D370 VanDerWaalsContact O-CB 3.26Å; L366-D370 WeakPolarHBondContact O-CB 3.41Å; L366-D370 PolarHBondContact O-N 3.41Å; Y368-D370 VanDerWaalsContact C-N 3.28Å; Y368-D370 PolarHBondContact O-N 2.95Å
371	K	98.2	Very high	98.4	Very high	178 Å²	178	48 Å²	48	77%	0.774	23%	0.227	S	C	*	.	H	α-helix	trans	-99	-10.3	179.8	-67	175.7	-178.1	-178.9	0	113.7	K367 Y368 L369	K367-K371 WeakPolarHBondContact O-CG 3.39Å; K367-K371 PolarHBondContact O-N 2.96Å; Y368-K371 PolarHBondContact O-N 2.79Å; L369-K371 PolarHBondContact O-N 3.07Å
372	N	98.4	Very high	98.2	Very high	50 Å²	50	43.1 Å²	43.1	27%	0.267	21%	0.206	S	C	.	.			trans	-124.9	89	-177	-174.1	-11	0	0	0	109.9	Y368 L369 T374 A375 Y376	Y368-N372 HydrophobicContact CD2-CB 4.5Å; Y368-N372 HydrophobicContact CE2-CB 4.06Å; Y368-N372 PolarHBondContact O-N 2.97Å; Y368-N372 PolarHBondContact OH-ND2 3.04Å; Y368-N372 VanDerWaalsContact OH-ND2 3.07Å; L369-N372 CarbonylContact O-C 3.57Å; L369-N372 PolarHBondContact O-N 2.96Å; N372-T374 PolarHBondContact O-N 3.49Å; N372-T374 WeakPolarHBondContact OD1-CB 3.08Å; N372-T374 PolarHBondContact OD1-N 3.19Å; N372-T374 VanDerWaalsContact OD1-N 3.15Å; N372-A375 HydrophobicContact CB-CB 4.13Å; N372-A375 PolarHBondContact O-N 2.87Å; N372-A375 PolarHBondContact OD1-N 2.72Å; N372-Y376 PolarHBondContact O-N 3.47Å
373	D	97.9	Very high	98	Very high	60 Å²	60	46.7 Å²	46.7	32%	0.321	22%	0.222	S	C	.	.	H	α-helix	trans	-57.8	-33.4	179.2	-74.4	8.1	0	0	0	112.2	N234 A236 Y376 N377	N234-D373 PolarHBondContact ND2-OD2 2.95Å; A236-D373 HydrophobicContact CB-CB 4.37Å; D373-Y376 PolarHBondContact O-N 3.46Å; D373-N377 WeakPolarHBondContact O-CB 3.39Å; D373-N377 PolarHBondContact O-N 2.89Å; D373-N377 PolarHBondContact O-ND2 3.29Å
374	T	98.1	Very high	97.6	Very high	83 Å²	83	49 Å²	49	51%	0.509	25%	0.246	S	C	.	.	H	α-helix	trans	-62.8	-52.6	178.1	-55.9	0	0	0	0	110.3	L230 N372 Y376 N377 E378	L230-T374 HydrophobicContact CD1-CG2 4.11Å; N372-T374 PolarHBondContact O-N 3.49Å; N372-T374 WeakPolarHBondContact OD1-CB 3.08Å; N372-T374 PolarHBondContact OD1-N 3.19Å; N372-T374 VanDerWaalsContact OD1-N 3.15Å; T374-Y376 VanDerWaalsContact C-N 3.29Å; T374-Y376 PolarHBondContact O-N 3.08Å; T374-N377 PolarHBondContact O-N 3.32Å; T374-N377 VanDerWaalsContact O-N 3.17Å; T374-E378 PolarHBondContact O-N 2.87Å; T374-E378 VanDerWaalsContact O-N 3.14Å
375	A	98.3	Very high	97.5	Very high	4 Å²	4	48 Å²	48	3%	0.033	24%	0.239	C	C	.	.	H	α-helix	trans	-64.1	-33.5	178.4	0	0	0	0	0	112.6	Y368 L369 N372	Y368-A375 HydrophobicContact CE1-CB 3.79Å; Y368-A375 WeakPolarHBondContact OH-CB 3.33Å; L369-A375 HydrophobicContact CD2-CB 3.8Å; N372-A375 HydrophobicContact CB-CB 4.13Å; N372-A375 PolarHBondContact O-N 2.87Å; N372-A375 PolarHBondContact OD1-N 2.72Å
376	Y	98.5	Very high	97.2	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-65.4	-44.1	173.3	179	-93.9	0	0	0	112	I235 A236 K302 F303 L330 L369 N372 D373 T374 E378 Y379 F380	I235-Y376 HydrophobicContact CB-CE1 4.44Å; I235-Y376 HydrophobicContact CG2-CE1 4.15Å; A236-Y376 HydrophobicContact CB-CD1 3.6Å; A236-Y376 HydrophobicContact CB-CE1 3.9Å; A236-Y376 HydrophobicContact CB-CG 4.34Å; K302-Y376 WeakPolarHBondContact CA-OH 3.39Å; K302-Y376 HydrophobicContact CB-CE2 3.73Å; K302-Y376 HydrophobicContact CG-CE2 4.29Å; K302-Y376 WeakPolarHBondContact O-CE2 3.2Å; K302-Y376 PolarHBondContact O-OH 3.29Å; F303-Y376 HydrophobicContact CD1-CE2 4.22Å; F303-Y376 AromaticContact CE1-CD2 3.92Å; F303-Y376 HydrophobicContact CE1-CD2 3.92Å; F303-Y376 AromaticContact CE1-CE2 3.8Å; F303-Y376 HydrophobicContact CE1-CE2 3.8Å; F303-Y376 HydrophobicContact CZ-CD2 4.32Å; F303-Y376 HydrophobicContact CZ-CE2 4.37Å; L330-Y376 HydrophobicContact CB-CE2 3.94Å; L330-Y376 HydrophobicContact CD2-CD2 4.26Å; L330-Y376 HydrophobicContact CD2-CE2 4.2Å; L369-Y376 HydrophobicContact CB-CD2 4.48Å; N372-Y376 PolarHBondContact O-N 3.47Å; D373-Y376 PolarHBondContact O-N 3.46Å; T374-Y376 VanDerWaalsContact C-N 3.29Å; T374-Y376 PolarHBondContact O-N 3.08Å; Y376-E378 VanDerWaalsContact C-N 3.28Å; Y376-E378 PolarHBondContact O-N 3.31Å; Y376-Y379 PolarHBondContact O-N 2.89Å; Y376-F380 HydrophobicContact CD1-CD2 4.37Å; Y376-F380 HydrophobicContact CD1-CE2 4.09Å; Y376-F380 HydrophobicContact CE1-CD2 4.04Å; Y376-F380 AromaticContact CE1-CE2 3.44Å; Y376-F380 HydrophobicContact CE1-CE2 3.44Å; Y376-F380 VanDerWaalsContact CE1-CE2 3.44Å; Y376-F380 HydrophobicContact CE1-CZ 4.25Å; Y376-F380 HydrophobicContact CE2-CE2 4.07Å; Y376-F380 AromaticContact CZ-CE2 3.43Å; Y376-F380 VanDerWaalsContact CZ-CE2 3.43Å; Y376-F380 AromaticContact CZ-CZ 3.98Å
377	N	98	Very high	97.1	Very high	11 Å²	11	48.5 Å²	48.5	6%	0.059	25%	0.247	C	C	.	.	H	α-helix	trans	-71.4	-18.9	-179	-78	-81.6	0	0	0	113.5	L230 P231 R233 N234 I235 D373 T374 Y379 F380 A381	L230-N377 HydrophobicContact CD2-CB 4.42Å; P231-N377 HydrophobicContact CG-CB 4.15Å; R233-N377 PolarHBondContact O-OD1 2.62Å; N234-N377 PolarHBondContact OD1-ND2 3.39Å; I235-N377 PolarHBondContact N-OD1 2.77Å; D373-N377 WeakPolarHBondContact O-CB 3.39Å; D373-N377 PolarHBondContact O-N 2.89Å; D373-N377 PolarHBondContact O-ND2 3.29Å; T374-N377 PolarHBondContact O-N 3.32Å; T374-N377 VanDerWaalsContact O-N 3.17Å; N377-Y379 PolarHBondContact O-N 3.03Å; N377-F380 CarbonylContact O-C 3.52Å; N377-F380 PolarHBondContact O-N 3.4Å; N377-A381 PolarHBondContact O-N 3.26Å
378	E	97.6	Very high	96.9	Very high	107 Å²	107	46 Å²	46	50%	0.5	24%	0.236	S	C	.	.	H	α-helix	trans	-55.7	-36	169.8	-72.3	174	-176.2	0	0	111.7	L230 T374 Y376 F380 A381	L230-E378 HydrophobicContact CD2-CB 4.27Å; L230-E378 HydrophobicContact CD2-CG 3.72Å; T374-E378 PolarHBondContact O-N 2.87Å; T374-E378 VanDerWaalsContact O-N 3.14Å; Y376-E378 VanDerWaalsContact C-N 3.28Å; Y376-E378 PolarHBondContact O-N 3.31Å; E378-F380 PolarHBondContact O-N 3.04Å; E378-F380 VanDerWaalsContact O-N 3.16Å; E378-A381 WeakPolarHBondContact O-CB 3.35Å; E378-A381 PolarHBondContact O-N 2.95Å
379	Y	98.2	Very high	96.6	Very high	31 Å²	31	42.6 Å²	42.6	12%	0.122	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-8.5	176.9	-76.3	-82.7	0	0	0	114.8	L330 Y348 F350 I351 Y365 L369 Y376 N377 W382	L330-Y379 HydrophobicContact CD1-CD1 3.66Å; L330-Y379 HydrophobicContact CD1-CE1 4.43Å; L330-Y379 HydrophobicContact CD1-CG 3.74Å; L330-Y379 HydrophobicContact CD2-CD1 4.16Å; L330-Y379 HydrophobicContact CD2-CD2 3.63Å; L330-Y379 HydrophobicContact CD2-CE2 4.17Å; L330-Y379 HydrophobicContact CD2-CG 3.61Å; L330-Y379 HydrophobicContact CG-CG 4.35Å; Y348-Y379 CarbonylContact O-C 3.51Å; Y348-Y379 WeakPolarHBondContact O-CA 3.2Å; Y348-Y379 VanDerWaalsContact O-CD1 3.25Å; Y348-Y379 WeakPolarHBondContact O-CD1 3.36Å; F350-Y379 WeakPolarHBondContact O-CE1 3.35Å; I351-Y379 HydrophobicContact CG1-CE1 3.91Å; Y365-Y379 HydrophobicContact CE1-CE2 4.44Å; Y365-Y379 WeakPolarHBondContact CE1-OH 3.36Å; Y365-Y379 PolarHBondContact OH-OH 3.29Å; L369-Y379 HydrophobicContact CD1-CD2 4.33Å; L369-Y379 HydrophobicContact CD1-CE2 3.85Å; L369-Y379 HydrophobicContact CD2-CE2 4.12Å; Y376-Y379 PolarHBondContact O-N 2.89Å; N377-Y379 PolarHBondContact O-N 3.03Å; Y379-W382 PolarHBondContact O-NE1 3.45Å; Y379-W382 VanDerWaalsContact O-NE1 3.1Å
380	F	97.7	Very high	96.2	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.009	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.6	14.5	178.7	-63.9	-89	0	0	0	112.2	P231 I235 L330 Y376 N377 E378 W382 H383	P231-F380 HydrophobicContact CG-CB 4.4Å; I235-F380 HydrophobicContact CD1-CB 3.29Å; I235-F380 HydrophobicContact CD1-CD1 3.73Å; I235-F380 HydrophobicContact CD1-CD2 4.29Å; I235-F380 HydrophobicContact CD1-CG 3.52Å; I235-F380 HydrophobicContact CG2-CD1 4.31Å; I235-F380 HydrophobicContact CG2-CD2 4.33Å; I235-F380 HydrophobicContact CG2-CE1 4.2Å; I235-F380 HydrophobicContact CG2-CE2 4.23Å; I235-F380 HydrophobicContact CG2-CG 4.36Å; I235-F380 HydrophobicContact CG2-CZ 4.13Å; L330-F380 HydrophobicContact CB-CE2 4.07Å; L330-F380 HydrophobicContact CB-CZ 4.01Å; Y376-F380 HydrophobicContact CD1-CD2 4.37Å; Y376-F380 HydrophobicContact CD1-CE2 4.09Å; Y376-F380 HydrophobicContact CE1-CD2 4.04Å; Y376-F380 AromaticContact CE1-CE2 3.44Å; Y376-F380 HydrophobicContact CE1-CE2 3.44Å; Y376-F380 VanDerWaalsContact CE1-CE2 3.44Å; Y376-F380 HydrophobicContact CE1-CZ 4.25Å; Y376-F380 HydrophobicContact CE2-CE2 4.07Å; Y376-F380 AromaticContact CZ-CE2 3.43Å; Y376-F380 VanDerWaalsContact CZ-CE2 3.43Å; Y376-F380 AromaticContact CZ-CZ 3.98Å; N377-F380 CarbonylContact O-C 3.52Å; N377-F380 PolarHBondContact O-N 3.4Å; E378-F380 PolarHBondContact O-N 3.04Å; E378-F380 VanDerWaalsContact O-N 3.16Å; F380-W382 PolarHBondContact O-N 2.98Å; F380-H383 WeakPolarHBondContact O-CB 2.83Å; F380-H383 PolarHBondContact O-N 3.39Å
381	A	96.9	Very high	95.5	Very high	12 Å²	12	46.1 Å²	46.1	10%	0.099	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-28.9	174.1	0	0	0	0	0	112.3	Y228 P229 N377 E378 H383 H385	Y228-A381 WeakPolarHBondContact CB-O 2.67Å; P229-A381 WeakPolarHBondContact O-CB 3.38Å; N377-A381 PolarHBondContact O-N 3.26Å; E378-A381 WeakPolarHBondContact O-CB 3.35Å; E378-A381 PolarHBondContact O-N 2.95Å; A381-H383 PolarHBondContact O-N 2.87Å; A381-H385 PolarHBondContact O-CD2 3.4Å; A381-H385 VanDerWaalsContact O-CD2 3.24Å
382	W	95.7	Very high	94.9	Very high	11 Å²	11	42.1 Å²	42.1	4%	0.042	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-19.7	173.7	67.9	-93.2	0	0	0	113.8	Y215 Y228 L325 P346 Y379 F380 G384 H385 I388	Y215-W382 HydrophobicContact CE2-CE3 4.07Å; Y228-W382 HydrophobicContact CD2-CB 4.05Å; Y228-W382 HydrophobicContact CE2-CB 4.24Å; L325-W382 HydrophobicContact CB-CH2 4.3Å; L325-W382 HydrophobicContact CB-CZ2 4.21Å; L325-W382 HydrophobicContact CD2-CZ2 3.77Å; P346-W382 HydrophobicContact CB-CB 3.7Å; P346-W382 HydrophobicContact CB-CD2 3.61Å; P346-W382 HydrophobicContact CB-CE3 3.98Å; P346-W382 HydrophobicContact CB-CG 3.47Å; P346-W382 VanDerWaalsContact CB-CG 3.47Å; P346-W382 HydrophobicContact CG-CD2 3.74Å; P346-W382 HydrophobicContact CG-CE3 3.84Å; P346-W382 HydrophobicContact CG-CG 4.15Å; P346-W382 HydrophobicContact CG-CZ2 4.48Å; P346-W382 HydrophobicContact CG-CZ3 4.26Å; Y379-W382 PolarHBondContact O-NE1 3.45Å; Y379-W382 VanDerWaalsContact O-NE1 3.1Å; F380-W382 PolarHBondContact O-N 2.98Å; W382-G384 PolarHBondContact O-N 3.34Å; W382-H385 WeakPolarHBondContact O-CB 2.89Å; W382-H385 PolarHBondContact O-N 2.95Å; W382-I388 HydrophobicContact CH2-CD1 4.28Å; W382-I388 HydrophobicContact CH2-CG1 3.81Å; W382-I388 HydrophobicContact CZ3-CD1 4.19Å; W382-I388 HydrophobicContact CZ3-CG1 3.83Å
383	H	93.7	Very high	94.3	Very high	76 Å²	76	41 Å²	41	35%	0.352	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	123.6	-175.5	-173.1	-79.3	0	0	0	110.8	E328 F380 A381	E328-H383 IonicContact OE1-NE2 3.14Å; F380-H383 WeakPolarHBondContact O-CB 2.83Å; F380-H383 PolarHBondContact O-N 3.39Å; A381-H383 PolarHBondContact O-N 2.87Å
384	G	92	Very high	94	Very high	49 Å²	49	43.3 Å²	43.3	51%	0.505	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.7	0.4	-175.5	0	0	0	0	0	114.8	Y218 W382	Y218-G384 WeakPolarHBondContact CE2-O 2.82Å; W382-G384 PolarHBondContact O-N 3.34Å
385	H	95	Very high	93.7	Very high	57 Å²	57	39.5 Å²	39.5	26%	0.264	21%	0.207	S	C	.	.	S	Bend	trans	-107.5	0.1	174.8	-66.7	-79.6	0	0	0	113.9	Y215 Y218 Y228 A381 W382	Y215-H385 PolarHBondContact OH-O 3.13Å; Y218-H385 VanDerWaalsContact CD2-C 3.44Å; Y218-H385 PolarHBondContact N-O 3.08Å; Y228-H385 HydrophobicContact CD1-CB 3.66Å; Y228-H385 AromaticContact CD1-CD2 3.59Å; Y228-H385 AromaticContact CD1-CE1 3.95Å; Y228-H385 AromaticContact CD1-CG 3.3Å; Y228-H385 AromaticContact CD1-ND1 3.56Å; Y228-H385 AromaticContact CD1-NE2 3.98Å; Y228-H385 HydrophobicContact CD2-CB 4.45Å; Y228-H385 HydrophobicContact CE1-CB 3.4Å; Y228-H385 VanDerWaalsContact CE1-CB 3.4Å; Y228-H385 AromaticContact CE1-CG 3.55Å; Y228-H385 AromaticContact CE1-ND1 3.8Å; Y228-H385 HydrophobicContact CE2-CB 4.25Å; Y228-H385 HydrophobicContact CG-CB 4.17Å; Y228-H385 AromaticContact CG-CD2 3.8Å; Y228-H385 AromaticContact CG-CG 3.89Å; A381-H385 PolarHBondContact O-CD2 3.4Å; A381-H385 VanDerWaalsContact O-CD2 3.24Å; W382-H385 WeakPolarHBondContact O-CB 2.89Å; W382-H385 PolarHBondContact O-N 2.95Å
386	G	94.4	Very high	93.6	Very high	6 Å²	6	39.6 Å²	39.6	6%	0.062	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.7	-176.3	174.5	0	0	0	0	0	110.9	E216 Y218	E216-G386 CarbonylContact O-C 3.58Å; E216-G386 WeakPolarHBondContact O-CA 3.36Å; Y218-G386 PolarHBondContact OH-O 3.38Å
387	I	95.2	Very high	93.4	Very high	74 Å²	74	40.2 Å²	40.2	38%	0.379	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	146.5	-179.2	-172.9	165.2	0	0	0	110.2	Y215 E216 Y218 H389	Y215-I387 WeakPolarHBondContact CD2-O 3.22Å; E216-I387 HydrophobicContact CB-CG2 3.92Å; E216-I387 PolarHBondContact N-O 2.95Å; E216-I387 PolarHBondContact O-N 2.82Å; Y218-I387 HydrophobicContact CE1-CB 4.12Å; Y218-I387 HydrophobicContact CE1-CG2 4.24Å; I387-H389 WeakPolarHBondContact CG2-NE2 3.4Å
388	I	95.2	Very high	93.1	Very high	13 Å²	13	39.8 Å²	39.8	7%	0.067	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	124	170	-61	-67.7	0	0	0	107.8	S214 Y215 Y321 L325 N326 P346 W382	S214-I388 WeakPolarHBondContact O-CA 3.41Å; Y215-I388 HydrophobicContact CD2-CD1 3.94Å; Y215-I388 HydrophobicContact CG-CD1 4.45Å; Y321-I388 HydrophobicContact CD1-CG2 3.96Å; Y321-I388 HydrophobicContact CG-CG2 4.37Å; L325-I388 HydrophobicContact CB-CD1 4.34Å; L325-I388 HydrophobicContact CB-CG1 4.2Å; L325-I388 HydrophobicContact CD1-CD1 3.85Å; N326-I388 VanDerWaalsContact OD1-CB 3.24Å; N326-I388 WeakPolarHBondContact OD1-CB 3.29Å; N326-I388 WeakPolarHBondContact OD1-CG2 3.18Å; P346-I388 HydrophobicContact CG-CD1 3.54Å; W382-I388 HydrophobicContact CH2-CD1 4.28Å; W382-I388 HydrophobicContact CH2-CG1 3.81Å; W382-I388 HydrophobicContact CZ3-CD1 4.19Å; W382-I388 HydrophobicContact CZ3-CG1 3.83Å
389	H	92.6	Very high	93	Very high	39 Å²	39	34.7 Å²	34.7	18%	0.181	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	135.2	167.3	-66.7	-72.9	0	0	0	109.5	G213 S214 E216 I387 D392	G213-H389 CarbonylContact C-O 3.59Å; G213-H389 WeakPolarHBondContact CA-O 3.29Å; S214-H389 PolarHBondContact N-O 2.81Å; S214-H389 PolarHBondContact O-N 2.77Å; E216-H389 IonicContact OE2-CE1 3.45Å; E216-H389 IonicContact OE2-NE2 2.96Å; E216-H389 PolarHBondContact OE2-NE2 3.47Å; E216-H389 VanDerWaalsContact OE2-NE2 3.16Å; I387-H389 WeakPolarHBondContact CG2-NE2 3.4Å; H389-D392 WeakPolarHBondContact CA-OD2 3.36Å; H389-D392 HydrophobicContact CB-CB 4.1Å; H389-D392 WeakPolarHBondContact CB-OD2 3.21Å; H389-D392 IonicContact CG-OD2 3.93Å; H389-D392 IonicContact ND1-OD2 3.86Å; H389-D392 PolarHBondContact ND1-OD2 2.88Å
390	D	89.4	Confident	92.9	Very high	38 Å²	38	33.2 Å²	33.2	20%	0.203	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	106.2	177.7	170.9	30.5	0	0	0	108.5	K322 D392	K322-D390 WeakPolarHBondContact CB-OD2 3.11Å; K322-D390 WeakPolarHBondContact CD-OD2 3.46Å; K322-D390 WeakPolarHBondContact CG-OD2 3.5Å; D390-D392 PolarHBondContact O-N 3.39Å
391	W	85.1	Confident	92.7	Very high	67 Å²	67	33.2 Å²	33.2	25%	0.254	18%	0.18	S	C	.	.	S	Bend	trans	57.7	26.2	-176	-146.5	-81.4	0	0	0	115.2	F129 Q180 Y212 S393	F129-W391 HydrophobicContact CB-CZ2 4.03Å; F129-W391 HydrophobicContact CD2-CZ2 4.42Å; Q180-W391 HydrophobicContact CB-CH2 4.42Å; Q180-W391 HydrophobicContact CG-CH2 4.29Å; Q180-W391 HydrophobicContact CG-CZ2 4.34Å; Y212-W391 AromaticContact CD1-CE3 3.9Å; Y212-W391 HydrophobicContact CD1-CE3 3.9Å; Y212-W391 HydrophobicContact CD1-CH2 4.17Å; Y212-W391 AromaticContact CD1-CZ3 3.23Å; Y212-W391 HydrophobicContact CD1-CZ3 3.23Å; Y212-W391 HydrophobicContact CD2-CZ3 4.37Å; Y212-W391 HydrophobicContact CE1-CE3 4.41Å; Y212-W391 AromaticContact CE1-CH2 3.92Å; Y212-W391 HydrophobicContact CE1-CH2 3.92Å; Y212-W391 AromaticContact CE1-CZ3 3.35Å; Y212-W391 HydrophobicContact CE1-CZ3 3.35Å; Y212-W391 HydrophobicContact CE2-CZ3 4.43Å; Y212-W391 HydrophobicContact CG-CE3 4.24Å; Y212-W391 AromaticContact CG-CZ3 3.77Å; Y212-W391 HydrophobicContact CG-CZ3 3.77Å; Y212-W391 AromaticContact CZ-CZ3 3.94Å; Y212-W391 PolarHBondContact O-N 2.76Å; W391-S393 VanDerWaalsContact C-N 3.28Å; W391-S393 PolarHBondContact O-N 3.13Å
392	D	85	Confident	92.6	Very high	95 Å²	95	32.7 Å²	32.7	51%	0.508	18%	0.175	S	C	.	.			trans	-82.9	-2.6	-179.3	-63	-34.2	0	0	0	113.7	H389 D390 Q394	H389-D392 WeakPolarHBondContact CA-OD2 3.36Å; H389-D392 HydrophobicContact CB-CB 4.1Å; H389-D392 WeakPolarHBondContact CB-OD2 3.21Å; H389-D392 IonicContact CG-OD2 3.93Å; H389-D392 IonicContact ND1-OD2 3.86Å; H389-D392 PolarHBondContact ND1-OD2 2.88Å; D390-D392 PolarHBondContact O-N 3.39Å; D392-Q394 PolarHBondContact O-N 3.49Å
393	S	86.9	Confident	92.5	Very high	27 Å²	27	32.3 Å²	32.3	19%	0.189	17%	0.174	C	C	.	.			trans	-62.5	137.7	179	73.7	0	0	0	0	111.1	S210 W391 P395	S210-S393 PolarHBondContact OG-OG 3.1Å; W391-S393 VanDerWaalsContact C-N 3.28Å; W391-S393 PolarHBondContact O-N 3.13Å; S393-P395 WeakPolarHBondContact O-CD 2.85Å
394	Q	90.7	Very high	92.6	Very high	107 Å²	107	29.8 Å²	29.8	50%	0.5	16%	0.163	S	C	.	.			trans	-115.2	63.8	-177.7	-66.9	-176.6	77.4	0	0	111.1	D392 Q396 C397	D392-Q394 PolarHBondContact O-N 3.49Å; Q394-Q396 VanDerWaalsContact CA-OE1 3.25Å; Q394-Q396 PolarHBondContact O-N 2.96Å; Q394-C397 PolarHBondContact O-N 2.84Å; Q394-C397 VanDerWaalsContact O-N 3.08Å
395	P	92.8	Very high	92.6	Very high	4 Å²	4	27.4 Å²	27.4	3%	0.026	14%	0.139	C	C	.	.	H	α-helix	trans	-58.6	-25.1	-177.7	26.6	-36.4	0	0	0	112.6	T130 I200 I208 S393 C397 A398 M399	T130-P395 HydrophobicContact CG2-CG 4.18Å; I200-P395 HydrophobicContact CG2-CB 3.67Å; I200-P395 HydrophobicContact CG2-CG 4.39Å; I208-P395 HydrophobicContact CG2-CB 3.81Å; S393-P395 WeakPolarHBondContact O-CD 2.85Å; P395-C397 VanDerWaalsContact C-N 3.26Å; P395-C397 PolarHBondContact O-N 2.83Å; P395-A398 WeakPolarHBondContact O-CB 3.34Å; P395-A398 PolarHBondContact O-N 3.27Å; P395-M399 WeakPolarHBondContact O-CG 3.42Å; P395-M399 PolarHBondContact O-N 2.7Å
396	Q	94.6	Very high	92.4	Very high	5 Å²	5	25.1 Å²	25.1	2%	0.023	13%	0.129	C	C	.	.	H	α-helix	trans	-62.2	-30.7	178.3	76.8	-75.9	-1.7	0	0	113.1	M132 D133 F134 Q394 M399 C400	M132-Q396 HydrophobicContact SD-CB 3.95Å; D133-Q396 WeakPolarHBondContact O-CG 3.47Å; D133-Q396 PolarHBondContact O-NE2 3.13Å; F134-Q396 HydrophobicContact CD1-CB 3.98Å; F134-Q396 HydrophobicContact CD1-CG 4.12Å; F134-Q396 WeakPolarHBondContact CD1-O 3.48Å; F134-Q396 HydrophobicContact CE1-CB 3.63Å; F134-Q396 HydrophobicContact CE1-CG 4.27Å; F134-Q396 WeakPolarHBondContact CE1-O 3.06Å; F134-Q396 HydrophobicContact CZ-CB 4.31Å; Q394-Q396 VanDerWaalsContact CA-OE1 3.25Å; Q394-Q396 PolarHBondContact O-N 2.96Å; Q396-M399 PolarHBondContact O-N 2.79Å; Q396-C400 PolarHBondContact O-N 2.81Å
397	C	94.4	Very high	92.2	Very high	14 Å²	14	29.6 Å²	29.6	10%	0.095	15%	0.148	C	C	.	.	H	α-helix	trans	-68	-45.5	176.9	-62.6	0	0	0	0	111.3	C137 Q394 P395 M399 C400 L401	C137-C397 VanDerWaalsContact CA-SG 3.55Å; C137-C397 HydrophobicContact CB-CB 3.59Å; C137-C397 WeakPolarHBondContact CB-SG 3.17Å; C137-C397 WeakPolarHBondContact SG-CA 3.2Å; C137-C397 WeakPolarHBondContact SG-CB 3.29Å; C137-C397 CovalentContact SG-SG 2.04Å; C137-C397 PolarHBondContact SG-SG 3.15Å; Q394-C397 PolarHBondContact O-N 2.84Å; Q394-C397 VanDerWaalsContact O-N 3.08Å; P395-C397 VanDerWaalsContact C-N 3.26Å; P395-C397 PolarHBondContact O-N 2.83Å; C397-M399 VanDerWaalsContact C-N 3.35Å; C397-M399 PolarHBondContact O-N 3.21Å; C397-C400 PolarHBondContact O-N 2.75Å; C397-L401 PolarHBondContact O-N 2.87Å
398	A	93.1	Very high	92	Very high	2 Å²	2	27.9 Å²	27.9	2%	0.017	15%	0.145	C	C	.	.	H	α-helix	trans	-59.1	-44.8	172.6	0	0	0	0	0	112.5	F97 I208 P395 C400 L401 L402	F97-A398 HydrophobicContact CE1-CB 4.06Å; F97-A398 HydrophobicContact CE2-CB 3.97Å; F97-A398 HydrophobicContact CZ-CB 3.24Å; I208-A398 HydrophobicContact CB-CB 4.47Å; I208-A398 HydrophobicContact CD1-CB 3.59Å; I208-A398 HydrophobicContact CG1-CB 3.76Å; I208-A398 HydrophobicContact CG2-CB 3.85Å; P395-A398 WeakPolarHBondContact O-CB 3.34Å; P395-A398 PolarHBondContact O-N 3.27Å; A398-C400 VanDerWaalsContact C-N 3.35Å; A398-C400 PolarHBondContact O-N 2.8Å; A398-L401 PolarHBondContact O-N 3.16Å; A398-L402 WeakPolarHBondContact O-CB 3.48Å; A398-L402 WeakPolarHBondContact O-CG 3.15Å; A398-L402 PolarHBondContact O-N 3.33Å
399	M	94.8	Very high	91.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-57.8	-48.7	177.1	-70.2	163.1	60.2	0	0	110.9	F120 M132 I158 F176 I200 I208 P395 Q396 C397 L402 A403	F120-M399 HydrophobicContact CD1-CE 3.74Å; F120-M399 HydrophobicContact CE1-CB 3.95Å; F120-M399 HydrophobicContact CE1-CE 3.72Å; F120-M399 HydrophobicContact CZ-CB 3.86Å; F120-M399 HydrophobicContact CZ-CE 4.47Å; F120-M399 WeakPolarHBondContact CZ-O 3.41Å; M132-M399 HydrophobicContact CE-CE 4.04Å; M132-M399 HydrophobicContact CE-SD 4.13Å; M132-M399 HydrophobicContact SD-CE 4.08Å; M132-M399 HydrophobicContact SD-SD 4.36Å; I158-M399 HydrophobicContact CD1-CE 3.53Å; I158-M399 HydrophobicContact CG1-CE 3.69Å; F176-M399 HydrophobicContact CD1-CG 3.98Å; F176-M399 HydrophobicContact CE1-CB 4.19Å; F176-M399 HydrophobicContact CE1-CG 3.98Å; I200-M399 HydrophobicContact CD1-CE 4.41Å; I200-M399 HydrophobicContact CD1-CG 3.54Å; I200-M399 HydrophobicContact CD1-SD 3.44Å; I200-M399 WeakPolarHBondContact CD1-SD 3.25Å; I208-M399 HydrophobicContact CD1-CG 3.8Å; P395-M399 WeakPolarHBondContact O-CG 3.42Å; P395-M399 PolarHBondContact O-N 2.7Å; Q396-M399 PolarHBondContact O-N 2.79Å; C397-M399 VanDerWaalsContact C-N 3.35Å; C397-M399 PolarHBondContact O-N 3.21Å; M399-L402 PolarHBondContact O-N 2.89Å; M399-A403 WeakPolarHBondContact O-CB 3.31Å; M399-A403 PolarHBondContact O-N 3.12Å
400	C	96	Very high	90.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-64.7	-42.8	-178.4	-169	0	0	0	0	111.7	F134 A139 C142 Q396 C397 A398 L402 A403 H404	F134-C400 HydrophobicContact CD1-CB 3.67Å; F134-C400 HydrophobicContact CE1-CB 3.94Å; A139-C400 HydrophobicContact CB-CB 4.19Å; A139-C400 WeakPolarHBondContact O-CB 3.44Å; A139-C400 PolarHBondContact O-SG 3.49Å; C142-C400 HydrophobicContact CB-CB 3.84Å; C142-C400 WeakPolarHBondContact CB-SG 3.37Å; C142-C400 WeakPolarHBondContact SG-CA 3.01Å; C142-C400 WeakPolarHBondContact SG-CB 3.44Å; C142-C400 CovalentContact SG-SG 2.03Å; C142-C400 PolarHBondContact SG-SG 3.33Å; Q396-C400 PolarHBondContact O-N 2.81Å; C397-C400 PolarHBondContact O-N 2.75Å; A398-C400 VanDerWaalsContact C-N 3.35Å; A398-C400 PolarHBondContact O-N 2.8Å; C400-L402 PolarHBondContact O-N 2.76Å; C400-A403 PolarHBondContact O-N 2.98Å; C400-H404 PolarHBondContact O-CD2 2.84Å; C400-H404 PolarHBondContact O-N 3.47Å
401	L	93.8	Very high	90	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-54.5	-54.3	172.2	-79.1	167.2	0	0	0	110.8	E101 L104 E105 Y108 A139 C397 A398 A403 H404 T405	E101-L401 HydrophobicContact CG-CD1 4.3Å; L104-L401 HydrophobicContact CB-CB 4.46Å; E105-L401 HydrophobicContact CG-CD1 3.92Å; E105-L401 HydrophobicContact CG-CD2 4.17Å; Y108-L401 HydrophobicContact CD1-CD2 4.3Å; Y108-L401 HydrophobicContact CD2-CD2 4.41Å; Y108-L401 HydrophobicContact CG-CD2 3.93Å; A139-L401 HydrophobicContact CB-CD2 3.73Å; A139-L401 HydrophobicContact CB-CG 3.88Å; C397-L401 PolarHBondContact O-N 2.87Å; A398-L401 PolarHBondContact O-N 3.16Å; L401-A403 VanDerWaalsContact C-N 3.33Å; L401-A403 PolarHBondContact O-N 2.88Å; L401-H404 PolarHBondContact O-N 2.74Å; L401-T405 WeakPolarHBondContact O-CG2 3.26Å; L401-T405 PolarHBondContact O-N 2.75Å; L401-T405 PolarHBondContact O-OG1 2.7Å
402	L	93.6	Very high	89.8	Confident	1 Å²	1	27.2 Å²	27.2	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-59.6	-40	-179.3	-73.3	171.6	0	0	0	112.9	L104 F176 F198 T207 I208 A398 M399 C400 H404 T405 S406 F409	L104-L402 HydrophobicContact CD1-CD2 3.82Å; L104-L402 HydrophobicContact CD1-CG 4.26Å; L104-L402 HydrophobicContact CD2-CD2 3.94Å; F176-L402 HydrophobicContact CE1-CB 4.29Å; F176-L402 HydrophobicContact CE1-CD1 4.07Å; F176-L402 HydrophobicContact CZ-CB 4.05Å; F198-L402 HydrophobicContact CD1-CD1 3.89Å; F198-L402 HydrophobicContact CD1-CD2 4.47Å; F198-L402 HydrophobicContact CD2-CB 4.46Å; F198-L402 HydrophobicContact CD2-CD1 4.25Å; F198-L402 HydrophobicContact CE1-CD1 4.04Å; F198-L402 HydrophobicContact CE1-CD2 3.81Å; F198-L402 HydrophobicContact CE1-CG 4.42Å; F198-L402 HydrophobicContact CE2-CB 4.08Å; F198-L402 HydrophobicContact CE2-CD1 4.43Å; F198-L402 HydrophobicContact CG-CD1 3.96Å; F198-L402 HydrophobicContact CZ-CB 4.2Å; F198-L402 HydrophobicContact CZ-CD1 4.32Å; F198-L402 HydrophobicContact CZ-CD2 3.88Å; F198-L402 HydrophobicContact CZ-CG 4.37Å; T207-L402 HydrophobicContact CG2-CD1 4.19Å; I208-L402 HydrophobicContact CD1-CD1 3.91Å; I208-L402 HydrophobicContact CG1-CD1 4.17Å; A398-L402 WeakPolarHBondContact O-CB 3.48Å; A398-L402 WeakPolarHBondContact O-CG 3.15Å; A398-L402 PolarHBondContact O-N 3.33Å; M399-L402 PolarHBondContact O-N 2.89Å; C400-L402 PolarHBondContact O-N 2.76Å; L402-H404 PolarHBondContact O-N 2.82Å; L402-T405 PolarHBondContact O-N 2.59Å; L402-S406 WeakPolarHBondContact O-CB 3.37Å; L402-S406 PolarHBondContact O-N 2.89Å; L402-S406 PolarHBondContact O-OG 3.27Å; L402-F409 HydrophobicContact CD2-CZ 4.12Å
403	A	95.2	Very high	89.8	Confident	3 Å²	3	27.4 Å²	27.4	3%	0.025	15%	0.15	C	C	.	.	H	α-helix	trans	-65.4	-25.7	177.7	0	0	0	0	0	113.8	K118 F120 L174 M399 C400 L401	K118-A403 HydrophobicContact CB-CB 4.22Å; K118-A403 WeakPolarHBondContact CE-O 3.3Å; K118-A403 HydrophobicContact CG-CB 4.25Å; F120-A403 HydrophobicContact CE1-CB 4.47Å; F120-A403 HydrophobicContact CE2-CB 3.91Å; F120-A403 HydrophobicContact CZ-CB 3.52Å; L174-A403 HydrophobicContact CD1-CB 4.3Å; M399-A403 WeakPolarHBondContact O-CB 3.31Å; M399-A403 PolarHBondContact O-N 3.12Å; C400-A403 PolarHBondContact O-N 2.98Å; L401-A403 VanDerWaalsContact C-N 3.33Å; L401-A403 PolarHBondContact O-N 2.88Å
404	H	94.9	Very high	89.8	Confident	23 Å²	23	26.7 Å²	26.7	11%	0.106	14%	0.144	C	C	.	.	H	α-helix	trans	-87.3	-31.6	174.5	-81.2	-73.5	0	0	0	113	Y108 T116 K118 K141 C400 L401 L402	Y108-H404 HydrophobicContact CD2-CB 3.57Å; Y108-H404 HydrophobicContact CE2-CB 3.66Å; Y108-H404 AromaticContact CE2-CD2 3.77Å; Y108-H404 AromaticContact CE2-CG 3.58Å; T116-H404 PolarHBondContact O-CE1 2.75Å; K118-H404 VanDerWaalsContact CG-CE1 3.41Å; K118-H404 WeakPolarHBondContact CG-CE1 3.44Å; K118-H404 WeakPolarHBondContact CG-NE2 3.47Å; K141-H404 PolarHBondContact O-NE2 3.48Å; C400-H404 PolarHBondContact O-CD2 2.84Å; C400-H404 PolarHBondContact O-N 3.47Å; L401-H404 PolarHBondContact O-N 2.74Å; L402-H404 PolarHBondContact O-N 2.82Å
405	T	92.7	Very high	89.5	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-102.4	-22.2	-170.3	58.7	0	0	0	0	114.9	L104 L107 L111 L401 L402 Q407 A408 F409	L104-T405 WeakPolarHBondContact CD2-OG1 3.33Å; L107-T405 HydrophobicContact CB-CG2 4.35Å; L107-T405 HydrophobicContact CD2-CG2 4.2Å; L107-T405 HydrophobicContact CG-CG2 4.06Å; L111-T405 HydrophobicContact CD1-CG2 4.08Å; L401-T405 WeakPolarHBondContact O-CG2 3.26Å; L401-T405 PolarHBondContact O-N 2.75Å; L401-T405 PolarHBondContact O-OG1 2.7Å; L402-T405 PolarHBondContact O-N 2.59Å; T405-Q407 PolarHBondContact O-N 3.04Å; T405-Q407 VanDerWaalsContact O-N 3.13Å; T405-A408 WeakPolarHBondContact O-CB 3.14Å; T405-A408 PolarHBondContact O-N 3.49Å; T405-F409 WeakPolarHBondContact O-CD1 3.36Å
406	S	91.5	Very high	89.3	Confident	8 Å²	8	30.6 Å²	30.6	6%	0.056	17%	0.165	C	C	.	.	H	α-helix	trans	-59	-32.6	-169.6	66.6	0	0	0	0	113.9	L174 L402 A408 F409 G410	L174-S406 WeakPolarHBondContact CD1-OG 3.3Å; L402-S406 WeakPolarHBondContact O-CB 3.37Å; L402-S406 PolarHBondContact O-N 2.89Å; L402-S406 PolarHBondContact O-OG 3.27Å; S406-A408 PolarHBondContact O-N 3.14Å; S406-F409 PolarHBondContact O-N 3.46Å; S406-G410 PolarHBondContact O-N 2.82Å; S406-G410 VanDerWaalsContact O-N 3.08Å; S406-G410 VanDerWaalsContact O-O 3.12Å
407	Q	89.6	Confident	89.2	Confident	100 Å²	100	30.3 Å²	30.3	47%	0.467	16%	0.164	S	C	.	.	H	α-helix	trans	-64.3	-30.1	178.1	-64.6	-176	-11	0	0	112.2	E172 T405	E172-Q407 PolarHBondContact OE2-NE2 3.41Å; T405-Q407 PolarHBondContact O-N 3.04Å; T405-Q407 VanDerWaalsContact O-N 3.13Å
408	A	89.6	Confident	89.1	Confident	39 Å²	39	29.8 Å²	29.8	32%	0.322	16%	0.161	S	C	.	.	H	α-helix	trans	-74.7	-30	-178.1	0	0	0	0	0	113	A75 L107 L111 T405 S406	A75-A408 WeakPolarHBondContact CB-O 3.44Å; L107-A408 HydrophobicContact CD1-CB 4.25Å; L107-A408 HydrophobicContact CD2-CB 4.24Å; L111-A408 HydrophobicContact CD1-CB 4.36Å; L111-A408 HydrophobicContact CD2-CB 3.96Å; T405-A408 WeakPolarHBondContact O-CB 3.14Å; T405-A408 PolarHBondContact O-N 3.49Å; S406-A408 PolarHBondContact O-N 3.14Å
409	F	85.7	Confident	89.1	Confident	6 Å²	6	36.9 Å²	36.9	3%	0.026	19%	0.187	C	C	.	.	H	α-helix	trans	-106	7.5	177.8	64.4	-104.8	0	0	0	113.9	A75 L78 H79 Y82 L104 L107 F198 L402 T405 S406	A75-F409 HydrophobicContact CB-CB 4.42Å; A75-F409 WeakPolarHBondContact O-CB 3.3Å; L78-F409 HydrophobicContact CB-CB 4.05Å; L78-F409 HydrophobicContact CB-CD1 4.02Å; L78-F409 HydrophobicContact CB-CG 4.02Å; L78-F409 HydrophobicContact CD1-CD1 4.31Å; H79-F409 HydrophobicContact CB-CB 4.26Å; H79-F409 WeakPolarHBondContact CB-O 3.4Å; H79-F409 PolarHBondContact ND1-O 2.8Å; Y82-F409 HydrophobicContact CD2-CD2 4.42Å; Y82-F409 AromaticContact CD2-CE2 3.84Å; Y82-F409 HydrophobicContact CD2-CE2 3.84Å; Y82-F409 AromaticContact CD2-CZ 3.95Å; Y82-F409 HydrophobicContact CD2-CZ 3.95Å; Y82-F409 HydrophobicContact CE2-CZ 4.28Å; Y82-F409 HydrophobicContact CG-CE2 4Å; Y82-F409 HydrophobicContact CG-CZ 4.38Å; L104-F409 HydrophobicContact CD2-CE1 3.95Å; L107-F409 HydrophobicContact CD2-CD1 4Å; F198-F409 HydrophobicContact CZ-CZ 4.35Å; L402-F409 HydrophobicContact CD2-CZ 4.12Å; T405-F409 WeakPolarHBondContact O-CD1 3.36Å; S406-F409 PolarHBondContact O-N 3.46Å
410	G	78.3	Confident	88.9	Confident	20 Å²	20	38 Å²	38	21%	0.206	19%	0.191	C	C	.	.			trans	89.6	172	170.9	0	0	0	0	0	115.2	S406 Y412	S406-G410 PolarHBondContact O-N 2.82Å; S406-G410 VanDerWaalsContact O-N 3.08Å; S406-G410 VanDerWaalsContact O-O 3.12Å; G410-Y412 PolarHBondContact O-N 3.41Å
411	P	71.7	Confident	88.9	Confident	93 Å²	93	38 Å²	38	60%	0.604	19%	0.191	S	C	*	.			trans	-67.4	130.7	-177	27.4	-33.4	0	0	0	111.2	W413	P411-W413 HydrophobicContact CB-CH2 3.66Å; P411-W413 HydrophobicContact CB-CZ2 3.43Å; P411-W413 VanDerWaalsContact CB-CZ2 3.43Å; P411-W413 HydrophobicContact CB-CZ3 4.49Å; P411-W413 HydrophobicContact CG-CZ2 4.27Å
412	Y	80.7	Confident	88.9	Confident	23 Å²	23	40.5 Å²	40.5	9%	0.09	21%	0.205	C	C	.	.			trans	-122.7	138.7	176.8	169.5	-120.2	0	0	0	110.4	Y82 N197 F198 G410 V414	Y82-Y412 HydrophobicContact CD1-CD1 4.03Å; Y82-Y412 AromaticContact CD1-CE1 3.9Å; Y82-Y412 HydrophobicContact CD1-CE1 3.9Å; Y82-Y412 WeakPolarHBondContact O-CD2 3.31Å; Y82-Y412 WeakPolarHBondContact O-CE2 3.31Å; N197-Y412 VanDerWaalsContact CA-O 3.31Å; N197-Y412 WeakPolarHBondContact CA-O 3.34Å; N197-Y412 WeakPolarHBondContact CB-O 3.42Å; N197-Y412 PolarHBondContact ND2-O 2.91Å; N197-Y412 WeakPolarHBondContact O-CD1 3.37Å; N197-Y412 WeakPolarHBondContact O-CE1 3.25Å; F198-Y412 AromaticContact CD1-CD1 3.62Å; F198-Y412 HydrophobicContact CD1-CD1 3.62Å; F198-Y412 AromaticContact CD1-CE1 3.84Å; F198-Y412 HydrophobicContact CD1-CE1 3.84Å; F198-Y412 AromaticContact CE1-CD1 3.46Å; F198-Y412 HydrophobicContact CE1-CD1 3.46Å; F198-Y412 VanDerWaalsContact CE1-CD1 3.46Å; F198-Y412 HydrophobicContact CE1-CE1 4.08Å; F198-Y412 HydrophobicContact CE1-CG 4.46Å; F198-Y412 HydrophobicContact CZ-CD1 4.33Å; G410-Y412 PolarHBondContact O-N 3.41Å; Y412-V414 HydrophobicContact CE1-CG2 4.14Å
413	W	85.2	Confident	89	Confident	100 Å²	100	44 Å²	44	38%	0.379	22%	0.223	S	C	.	.			trans	-137.7	141.6	173.6	-13.9	93.6	0	0	0	109.3	N194 I196 N197 P411 P415	N194-W413 WeakPolarHBondContact O-CB 3.38Å; I196-W413 CarbonylContact O-C 3.47Å; I196-W413 VanDerWaalsContact O-CA 3.25Å; I196-W413 WeakPolarHBondContact O-CA 3.37Å; N197-W413 WeakPolarHBondContact ND2-CZ3 3.3Å; P411-W413 HydrophobicContact CB-CH2 3.66Å; P411-W413 HydrophobicContact CB-CZ2 3.43Å; P411-W413 VanDerWaalsContact CB-CZ2 3.43Å; P411-W413 HydrophobicContact CB-CZ3 4.49Å; P411-W413 HydrophobicContact CG-CZ2 4.27Å; W413-P415 VanDerWaalsContact O-CD 3.26Å; W413-P415 WeakPolarHBondContact O-CD 3.16Å
414	V	86.9	Confident	89	Confident	11 Å²	11	44.2 Å²	44.2	7%	0.067	23%	0.226	C	C	.	.			trans	-75.7	112.7	173.8	-176.8	0	0	0	0	108.6	I196 T199 Y412 V417	I196-V414 PolarHBondContact O-N 3.44Å; T199-V414 HydrophobicContact CG2-CG2 4.01Å; Y412-V414 HydrophobicContact CE1-CG2 4.14Å; V414-V417 HydrophobicContact CB-CB 3.99Å; V414-V417 HydrophobicContact CB-CG2 4.06Å; V414-V417 HydrophobicContact CG1-CB 3.8Å; V414-V417 HydrophobicContact CG1-CG2 3.85Å
415	P	85.3	Confident	89.1	Confident	61 Å²	61	44.1 Å²	44.1	40%	0.396	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	141.1	178.3	31.6	-35	0	0	0	109.6	P84 W413 V417	P84-P415 HydrophobicContact CB-CG 3.91Å; W413-P415 VanDerWaalsContact O-CD 3.26Å; W413-P415 WeakPolarHBondContact O-CD 3.16Å; P415-V417 PolarHBondContact O-N 3.39Å; P415-V417 VanDerWaalsContact O-N 3.11Å
416	K	88.7	Confident	89.2	Confident	132 Å²	132	49.3 Å²	49.3	57%	0.574	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	31.1	175.5	-58.3	176.1	-177	169	0	112.8	E193 A418 R419 W420	E193-K416 WeakPolarHBondContact OE2-CA 3.26Å; E193-K416 PolarHBondContact OE2-N 3.11Å; K416-A418 PolarHBondContact O-N 3.35Å; K416-R419 HydrophobicContact CB-CB 4.35Å; K416-R419 PolarHBondContact O-N 2.71Å; K416-W420 WeakPolarHBondContact O-CB 3.34Å; K416-W420 PolarHBondContact O-N 2.64Å
417	V	91.1	Very high	89.3	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-52.7	-39.7	-179.5	72.2	0	0	0	0	112.5	M188 L192 E193 I196 T199 V414 P415 W420 W421	M188-V417 HydrophobicContact CE-CG1 4.21Å; M188-V417 HydrophobicContact CE-CG2 3.72Å; M188-V417 HydrophobicContact SD-CG2 3.88Å; L192-V417 HydrophobicContact CB-CG1 4.31Å; L192-V417 VanDerWaalsContact O-CG1 3.31Å; L192-V417 WeakPolarHBondContact O-CG1 3.45Å; E193-V417 PolarHBondContact OE2-N 3.19Å; I196-V417 HydrophobicContact CB-CG1 4.28Å; I196-V417 HydrophobicContact CB-CG2 4.26Å; I196-V417 HydrophobicContact CG1-CG1 3.91Å; I196-V417 HydrophobicContact CG1-CG2 4.27Å; I196-V417 HydrophobicContact CG2-CG2 4.44Å; T199-V417 HydrophobicContact CG2-CG2 3.72Å; V414-V417 HydrophobicContact CB-CB 3.99Å; V414-V417 HydrophobicContact CB-CG2 4.06Å; V414-V417 HydrophobicContact CG1-CB 3.8Å; V414-V417 HydrophobicContact CG1-CG2 3.85Å; P415-V417 PolarHBondContact O-N 3.39Å; P415-V417 VanDerWaalsContact O-N 3.11Å; V417-W420 HydrophobicContact CG2-CE3 4.02Å; V417-W420 HydrophobicContact CG2-CZ3 4.39Å; V417-W420 PolarHBondContact O-N 3.25Å; V417-W421 WeakPolarHBondContact O-CB 3.42Å; V417-W421 PolarHBondContact O-N 3.46Å
418	A	93.5	Very high	89.5	Confident	3 Å²	3	49.6 Å²	49.6	3%	0.025	27%	0.273	C	S	.	.	H	α-helix	trans	-69.4	-44.5	-179.2	0	0	0	0	0	110.8	M188 E193 K416 N422	M188-A418 HydrophobicContact CB-CB 4.1Å; E193-A418 HydrophobicContact CG-CB 4.1Å; E193-A418 WeakPolarHBondContact OE1-CB 2.92Å; E193-A418 PolarHBondContact OE1-N 2.96Å; E193-A418 PolarHBondContact OE2-N 3.01Å; K416-A418 PolarHBondContact O-N 3.35Å; A418-N422 WeakPolarHBondContact O-CB 3.42Å; A418-N422 PolarHBondContact O-N 2.97Å; A418-N422 PolarHBondContact O-ND2 3.2Å; A418-N422 VanDerWaalsContact O-ND2 3.14Å
419	R	92.7	Very high	89.7	Confident	151 Å²	151	56 Å²	56	57%	0.57	29%	0.293	S	S	*	.	H	α-helix	trans	-62	-48.7	173.4	-179.1	178	-104.3	158.8	-1.7	112.1	E193 K416 W421 N422 D423	E193-R419 PolarHBondContact OE1-N 3.08Å; K416-R419 HydrophobicContact CB-CB 4.35Å; K416-R419 PolarHBondContact O-N 2.71Å; R419-W421 PolarHBondContact O-N 3.06Å; R419-N422 PolarHBondContact O-N 3.46Å; R419-D423 WeakPolarHBondContact CG-OD2 3.32Å; R419-D423 IonicContact NE-OD2 3.98Å; R419-D423 VanDerWaalsContact O-CB 3.22Å; R419-D423 WeakPolarHBondContact O-CB 3.4Å; R419-D423 PolarHBondContact O-N 2.84Å
420	W	91.1	Very high	90.1	Very high	22 Å²	22	56.8 Å²	56.8	8%	0.083	30%	0.298	C	S	.	.	H	α-helix	trans	-50.2	-47.9	178.4	162.3	73	0	0	0	111.6	T199 R203 D205 K416 V417	T199-W420 HydrophobicContact CG2-CE3 4.33Å; T199-W420 HydrophobicContact CG2-CH2 4.05Å; T199-W420 HydrophobicContact CG2-CZ3 3.62Å; R203-W420 HydrophobicContact CB-CZ2 4.12Å; R203-W420 HydrophobicContact CG-CZ2 4.43Å; R203-W420 PolarHBondContact NH1-O 2.95Å; D205-W420 VanDerWaalsContact OD1-CZ2 3.26Å; D205-W420 WeakPolarHBondContact OD1-CZ2 2.93Å; D205-W420 PolarHBondContact OD1-NE1 2.71Å; D205-W420 VanDerWaalsContact OD1-NE1 3.11Å; D205-W420 PolarHBondContact OD2-NE1 3.36Å; K416-W420 WeakPolarHBondContact O-CB 3.34Å; K416-W420 PolarHBondContact O-N 2.64Å; V417-W420 HydrophobicContact CG2-CE3 4.02Å; V417-W420 HydrophobicContact CG2-CZ3 4.39Å; V417-W420 PolarHBondContact O-N 3.25Å
421	W	94.6	Very high	91	Very high	1 Å²	1	62.4 Å²	62.4	0%	0.004	31%	0.313	C	S	.	.	H	α-helix	trans	-73.2	-56.4	-179.8	-178.6	-105.6	0	0	0	112.3	I179 E181 P183 I186 M188 F202 R203 V417 R419 D423 G424	I179-W421 HydrophobicContact CB-CH2 4.12Å; I179-W421 HydrophobicContact CB-CZ2 3.93Å; I179-W421 HydrophobicContact CG2-CH2 3.83Å; I179-W421 HydrophobicContact CG2-CZ2 3.28Å; E181-W421 WeakPolarHBondContact O-CH2 3.12Å; E181-W421 WeakPolarHBondContact O-CZ2 3.09Å; P183-W421 WeakPolarHBondContact CB-O 3.33Å; P183-W421 HydrophobicContact CG-CD2 4.14Å; P183-W421 HydrophobicContact CG-CZ2 4.06Å; P183-W421 WeakPolarHBondContact CG-O 3.32Å; I186-W421 PolarHBondContact O-NE1 3.17Å; M188-W421 HydrophobicContact CB-CB 4.45Å; M188-W421 HydrophobicContact CG-CB 4.14Å; M188-W421 HydrophobicContact CG-CG 3.9Å; M188-W421 HydrophobicContact SD-CB 3.69Å; M188-W421 HydrophobicContact SD-CG 3.82Å; F202-W421 AromaticContact CE1-CH2 3.6Å; F202-W421 HydrophobicContact CE1-CH2 3.6Å; F202-W421 HydrophobicContact CE1-CZ3 4.24Å; F202-W421 AromaticContact CZ-CH2 3.82Å; F202-W421 HydrophobicContact CZ-CH2 3.82Å; F202-W421 HydrophobicContact CZ-CZ3 4.17Å; R203-W421 HydrophobicContact CG-CZ3 4.21Å; V417-W421 WeakPolarHBondContact O-CB 3.42Å; V417-W421 PolarHBondContact O-N 3.46Å; R419-W421 PolarHBondContact O-N 3.06Å; W421-D423 VanDerWaalsContact C-N 3.27Å; W421-D423 PolarHBondContact O-N 2.71Å; W421-G424 PolarHBondContact O-N 2.89Å
422	N	95.5	Very high	92.1	Very high	54 Å²	54	59.4 Å²	59.4	29%	0.289	29%	0.289	S	S	.	.	H	α-helix	trans	-64.4	-31.2	-172.2	-65.7	-20.8	0	0	0	112.9	A187 M188 A418 R419 G424	A187-N422 VanDerWaalsContact CA-OD1 3.3Å; A187-N422 WeakPolarHBondContact CA-OD1 3.3Å; A187-N422 WeakPolarHBondContact CB-OD1 3.2Å; M188-N422 PolarHBondContact N-OD1 2.73Å; M188-N422 PolarHBondContact O-ND2 3.02Å; A418-N422 WeakPolarHBondContact O-CB 3.42Å; A418-N422 PolarHBondContact O-N 2.97Å; A418-N422 PolarHBondContact O-ND2 3.2Å; A418-N422 VanDerWaalsContact O-ND2 3.14Å; R419-N422 PolarHBondContact O-N 3.46Å; N422-G424 PolarHBondContact O-N 3.41Å
423	D	95.5	Very high	92.4	Very high	74 Å²	74	65.1 Å²	65.1	40%	0.396	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-79.3	-3.3	177.5	-69.1	-12.1	0	0	0	112.8	R419 W421 C425 N426	R419-D423 WeakPolarHBondContact CG-OD2 3.32Å; R419-D423 IonicContact NE-OD2 3.98Å; R419-D423 VanDerWaalsContact O-CB 3.22Å; R419-D423 WeakPolarHBondContact O-CB 3.4Å; R419-D423 PolarHBondContact O-N 2.84Å; W421-D423 VanDerWaalsContact C-N 3.27Å; W421-D423 PolarHBondContact O-N 2.71Å; D423-C425 PolarHBondContact O-N 3.49Å; D423-N426 WeakPolarHBondContact CA-ND2 3.42Å; D423-N426 WeakPolarHBondContact CB-ND2 3.47Å; D423-N426 VanDerWaalsContact CG-ND2 3.27Å; D423-N426 VanDerWaalsContact O-CB 3.29Å; D423-N426 WeakPolarHBondContact O-CB 3.48Å; D423-N426 PolarHBondContact O-N 2.89Å; D423-N426 PolarHBondContact OD1-ND2 3.42Å
424	G	94.7	Very high	91.8	Very high	8 Å²	8	66.3 Å²	66.3	8%	0.082	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-62.2	-12.2	-175.7	0	0	0	0	0	115.5	S313 W421 N422	S313-G424 PolarHBondContact N-O 2.83Å; W421-G424 PolarHBondContact O-N 2.89Å; N422-G424 PolarHBondContact O-N 3.41Å
425	C	96.2	Very high	92.1	Very high	21 Å²	21	69.1 Å²	69.1	14%	0.142	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-107.2	-3.1	174.7	-45.8	0	0	0	0	113.3	V184 C312 D423	V184-C425 HydrophobicContact CG1-CB 4.25Å; C312-C425 HydrophobicContact CB-CB 3.9Å; C312-C425 WeakPolarHBondContact CB-SG 3.07Å; C312-C425 WeakPolarHBondContact SG-CB 3.31Å; C312-C425 CovalentContact SG-SG 2.03Å; C312-C425 PolarHBondContact SG-SG 2.65Å; D423-C425 PolarHBondContact O-N 3.49Å
426	N	95.5	Very high	92.4	Very high	109 Å²	109	69.5 Å²	69.5	58%	0.583	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	139	-174.6	-70	-12.9	0	0	0	110.9	D423 R428	D423-N426 WeakPolarHBondContact CA-ND2 3.42Å; D423-N426 WeakPolarHBondContact CB-ND2 3.47Å; D423-N426 VanDerWaalsContact CG-ND2 3.27Å; D423-N426 VanDerWaalsContact O-CB 3.29Å; D423-N426 WeakPolarHBondContact O-CB 3.48Å; D423-N426 PolarHBondContact O-N 2.89Å; D423-N426 PolarHBondContact OD1-ND2 3.42Å; N426-R428 PolarHBondContact O-N 2.71Å; N426-R428 VanDerWaalsContact O-N 3.17Å
427	G	92.9	Very high	92.6	Very high	71 Å²	71	66.1 Å²	66.1	73%	0.732	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.8	-16.5	174.5	0	0	0	0	0	115.5	K429	G427-K429 PolarHBondContact O-N 3.32Å
428	R	94.2	Very high	92.7	Very high	43 Å²	43	69.9 Å²	69.9	16%	0.162	36%	0.362	C	S	.	.			trans	-68.5	115.6	176.2	-178.5	62.8	-179.2	109.3	-5.5	110.7	L311 G335 A336 H352 D354 N426	L311-R428 HydrophobicContact CB-CB 4.35Å; L311-R428 HydrophobicContact CB-CG 3.71Å; G335-R428 PolarHBondContact O-NE 3.39Å; G335-R428 PolarHBondContact O-NH2 3.01Å; A336-R428 PolarHBondContact O-NE 3.35Å; A336-R428 PolarHBondContact O-NH2 3.49Å; H352-R428 PolarHBondContact CE1-NH2 3.25Å; H352-R428 VanDerWaalsContact CE1-NH2 3.28Å; H352-R428 PolarHBondContact NE2-NH2 2.98Å; D354-R428 IonicContact OD2-CZ 2.88Å; D354-R428 VanDerWaalsContact OD2-CZ 3.22Å; D354-R428 IonicContact OD2-NH1 3.95Å; D354-R428 PolarHBondContact OD2-NH1 3.13Å; D354-R428 IonicContact OD2-NH2 3.59Å; D354-R428 PolarHBondContact OD2-NH2 3.09Å; N426-R428 PolarHBondContact O-N 2.71Å; N426-R428 VanDerWaalsContact O-N 3.17Å
429	K	92.9	Very high	92.7	Very high	172 Å²	172	74.1 Å²	74.1	75%	0.748	38%	0.383	S	S	*	.			trans	-133.1	139.5	176.1	-64.7	-179.3	-178.3	179.4	0	109.9	G427	G427-K429 PolarHBondContact O-N 3.32Å
430	L	95.6	Very high	92.7	Very high	23 Å²	23	69 Å²	69	12%	0.12	37%	0.37	C	S	.	.			trans	-68.6	152.5	172.4	-59.2	-176.2	0	0	0	110.5	P255 Y259 L311 M334 V353 D354 W432	P255-L430 HydrophobicContact CG-CD1 3.41Å; P255-L430 VanDerWaalsContact CG-CD1 3.41Å; P255-L430 HydrophobicContact CG-CG 4.25Å; Y259-L430 HydrophobicContact CD2-CD1 4.47Å; L311-L430 HydrophobicContact CD1-CD1 4.5Å; L311-L430 HydrophobicContact CD1-CD2 4.07Å; L311-L430 HydrophobicContact CD1-CG 3.86Å; L311-L430 HydrophobicContact CD2-CD2 4.04Å; M334-L430 HydrophobicContact CE-CD1 3.64Å; M334-L430 HydrophobicContact CG-CD1 4.12Å; M334-L430 HydrophobicContact CG-CD2 3.91Å; M334-L430 HydrophobicContact SD-CD1 3.78Å; V353-L430 HydrophobicContact CG2-CD2 4.13Å; D354-L430 WeakPolarHBondContact OD1-CA 3.35Å; L430-W432 VanDerWaalsContact C-N 3.28Å
431	R	96.1	Very high	92.8	Very high	138 Å²	138	72.4 Å²	72.4	52%	0.521	39%	0.391	S	S	.	.	S	Bend	trans	-63.1	-39.8	168.7	-179.6	178	-179.8	178.3	0.1	111	D354 Q355 E357 N433	D354-R431 HydrophobicContact CB-CB 4.06Å; D354-R431 WeakPolarHBondContact O-CD 3.3Å; D354-R431 PolarHBondContact O-NH1 2.89Å; D354-R431 PolarHBondContact OD1-N 3.42Å; Q355-R431 PolarHBondContact O-NH1 2.79Å; E357-R431 VanDerWaalsContact CG-NH2 3.27Å; E357-R431 IonicContact OE1-NH2 3.97Å; R431-N433 PolarHBondContact O-N 2.97Å
432	W	95.2	Very high	92.7	Very high	30 Å²	30	77.8 Å²	77.8	11%	0.114	42%	0.421	C	S	.	.			trans	-74.6	121.9	173.5	177.6	65.6	0	0	0	110.2	Q258 Y259 E262 P359 L430 P434	Q258-W432 HydrophobicContact CB-CH2 3.97Å; Q258-W432 HydrophobicContact CB-CZ3 4.3Å; Y259-W432 HydrophobicContact CD2-CB 4.44Å; Y259-W432 AromaticContact CD2-CD2 3.79Å; Y259-W432 HydrophobicContact CD2-CD2 3.79Å; Y259-W432 AromaticContact CD2-CE3 3.26Å; Y259-W432 HydrophobicContact CD2-CE3 3.26Å; Y259-W432 HydrophobicContact CD2-CG 4.34Å; Y259-W432 HydrophobicContact CD2-CH2 4.48Å; Y259-W432 AromaticContact CD2-CZ3 3.65Å; Y259-W432 HydrophobicContact CD2-CZ3 3.65Å; Y259-W432 HydrophobicContact CE2-CB 3.97Å; Y259-W432 HydrophobicContact CE2-CD2 4.06Å; Y259-W432 AromaticContact CE2-CE3 3.95Å; Y259-W432 HydrophobicContact CE2-CE3 3.95Å; Y259-W432 HydrophobicContact CE2-CG 4.13Å; Y259-W432 HydrophobicContact CG-CE3 4.11Å; Y259-W432 HydrophobicContact CG-CZ3 4.03Å; E262-W432 HydrophobicContact CB-CZ2 4.18Å; E262-W432 HydrophobicContact CG-CZ2 4.31Å; P359-W432 HydrophobicContact CG-CD2 4.22Å; P359-W432 HydrophobicContact CG-CG 4.47Å; P359-W432 HydrophobicContact CG-CZ2 4.13Å; L430-W432 VanDerWaalsContact C-N 3.28Å; W432-P434 HydrophobicContact CE3-CB 4.46Å; W432-P434 HydrophobicContact CH2-CB 3.62Å; W432-P434 HydrophobicContact CZ2-CB 3.85Å; W432-P434 HydrophobicContact CZ3-CB 3.93Å; W432-P434 HydrophobicContact CZ3-CG 4.4Å
433	N	86.8	Confident	92.4	Very high	144 Å²	144	79.8 Å²	79.8	77%	0.77	43%	0.432	S	S	*	.			trans	-104	117.9	169.2	-170.9	39.8	0	0	0	108.3	R431	R431-N433 PolarHBondContact O-N 2.97Å
434	P	73.5	Confident	92.1	Very high	125 Å²	125	80.4 Å²	80.4	81%	0.812	44%	0.435	S	S	*	.			trans	-61.3	0	-176.7	22.9	-32.9	0	0	0	114.8	W432	W432-P434 HydrophobicContact CE3-CB 4.46Å; W432-P434 HydrophobicContact CH2-CB 3.62Å; W432-P434 HydrophobicContact CZ2-CB 3.85Å; W432-P434 HydrophobicContact CZ3-CB 3.93Å; W432-P434 HydrophobicContact CZ3-CG 4.4Å

Retrieved 434 of 434 residues in 585.4 ms (Link to these results)

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