A0A5K4FEQ0_SCHMA Loading...

Cellulase domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FEQ0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 533 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39	Very low	33.4	Very low	240 Å²	240	178.1 Å²	178.1	100%	1.182	87%	0.871	S	S	*	*				0	109.5	0	-140.2	166.8	179.6	0	0	107.1
2	R	33.1	Very low	32.9	Very low	247 Å²	247	181.8 Å²	181.8	93%	0.932	87%	0.868	S	S	*	*			trans	-73.6	127.6	177.7	-85.3	179.6	177.1	176.9	-1	108.7
3	L	33.4	Very low	33.1	Very low	168 Å²	168	184.8 Å²	184.8	88%	0.88	88%	0.876	S	S	*	*			trans	-127.6	141.5	162.8	-85.7	163.2	0	0	0	109.2
4	T	32.5	Very low	32.7	Very low	110 Å²	110	187 Å²	187	68%	0.675	87%	0.872	S	S	*	*			trans	-117.6	155.4	-151.2	36.8	0	0	0	0	112.4
5	R	34	Very low	32.7	Very low	233 Å²	233	183.9 Å²	183.9	88%	0.879	86%	0.864	S	S	*	*			trans	72.8	116.8	151.8	-72.4	170.2	173	-171.4	-2.3	116.7
6	S	29.8	Very low	32.6	Very low	108 Å²	108	178.5 Å²	178.5	76%	0.755	85%	0.852	S	S	*	*				73.9	107.3	69.3	-175.1	0	0	0	0	113.8
7	S	33.6	Very low	32.9	Very low	115 Å²	115	177.5 Å²	177.5	80%	0.804	85%	0.853	S	S	*	*				172.9	106.1	116.3	45.3	0	0	0	0	108.9
8	K	36.7	Very low	33.1	Very low	207 Å²	207	176.4 Å²	176.4	90%	0.9	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-87.8	147.2	167.3	-90.6	-175.5	175.9	-178.8	0	109
9	Q	35.5	Very low	33.5	Very low	201 Å²	201	172.5 Å²	172.5	94%	0.939	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-54.6	136.3	-162.9	-67.3	-179.6	-28.9	0	0	115.2
10	L	31.3	Very low	34.1	Very low	169 Å²	169	168.6 Å²	168.6	89%	0.885	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-86.1	142.4	167.8	-110.8	106.4	0	0	0	111.1
11	E	28.1	Very low	35.1	Very low	161 Å²	161	165.4 Å²	165.4	75%	0.752	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-53.6	156.8	165.6	-57.4	169.4	146.7	0	0	114.8
12	R	28.1	Very low	35.7	Very low	222 Å²	222	159 Å²	159	84%	0.838	79%	0.79	S	S	*	*			trans	131	96.6	136	-75.1	-176.2	177.7	-168.1	-1.4	112.5
13	F	35.8	Very low	37	Very low	221 Å²	221	151.5 Å²	151.5	97%	0.969	77%	0.771	S	S	*	*			trans	-119.7	118.1	142.8	-95.1	-83.7	0	0	0	109.2
14	R	26.7	Very low	38	Very low	216 Å²	216	149.4 Å²	149.4	82%	0.815	76%	0.761	S	S	*	*			trans	-92.7	133.8	172.6	-154.5	-175.7	-166.4	176	-0.3	105.1
15	D	33	Very low	39.3	Very low	140 Å²	140	148.2 Å²	148.2	75%	0.749	75%	0.75	S	S	*	*				164	126.7	127	-80.1	-17.7	0	0	0	114.2
16	S	31.7	Very low	40.5	Very low	98 Å²	98	146.3 Å²	146.3	69%	0.685	74%	0.743	S	S	*	*			trans	34.7	113.3	148	67.2	0	0	0	0	121.1
17	N	37.4	Very low	42	Very low	162 Å²	162	146 Å²	146	87%	0.866	73%	0.732	S	S	*	*				177.4	93.6	106.3	-89.7	-21.1	0	0	0	110.3
18	N	36.8	Very low	43.2	Very low	157 Å²	157	142.8 Å²	142.8	84%	0.84	71%	0.709	S	S	*	*			trans	-82.5	140.6	166.7	-93.1	-25.4	0	0	0	109.7
19	T	39.4	Very low	44	Very low	102 Å²	102	141 Å²	141	63%	0.626	70%	0.697	S	S	*	*			trans	76.9	115.4	170.9	52.1	0	0	0	0	118.4	N22	T19-N22 HydrophobicContact CG2-CB 4.33Å
20	P	47	Very low	45.4	Very low	95 Å²	95	136.1 Å²	136.1	62%	0.617	68%	0.676	S	S	*	*	S	Bend		-130.5	18.8	94.6	38.6	-29.7	0	0	0	115.3	N22	P20-N22 VanDerWaalsContact C-N 3.34Å; P20-N22 PolarHBondContact O-N 3.35Å
21	V	53.7	Low	46.5	Very low	102 Å²	102	133.5 Å²	133.5	62%	0.618	66%	0.661	S	S	*	*	H	α-helix	trans	-68.7	-30.5	-178.8	-177.3	0	0	0	0	112.8	T23 L25	V21-T23 PolarHBondContact O-N 3.41Å; V21-L25 HydrophobicContact CG1-CD1 3.9Å; V21-L25 PolarHBondContact O-N 3.46Å
22	N	53.1	Low	48	Very low	104 Å²	104	129.9 Å²	129.9	56%	0.556	65%	0.646	S	S	*	*	H	α-helix	trans	-71.1	-25.8	-178.1	-96.5	-13.4	0	0	0	114.4	T19 P20 R26	T19-N22 HydrophobicContact CG2-CB 4.33Å; P20-N22 VanDerWaalsContact C-N 3.34Å; P20-N22 PolarHBondContact O-N 3.35Å; N22-R26 WeakPolarHBondContact O-CG 3.44Å; N22-R26 PolarHBondContact O-N 3.07Å
23	T	59.3	Low	49.2	Very low	90 Å²	90	124.3 Å²	124.3	55%	0.552	63%	0.632	S	S	*	*	H	α-helix	trans	-77.2	-39.5	-179.8	-29.9	0	0	0	0	111.2	V21 R26 L27	V21-T23 PolarHBondContact O-N 3.41Å; T23-R26 PolarHBondContact O-N 3.2Å; T23-L27 PolarHBondContact O-N 3.11Å; T23-L27 VanDerWaalsContact O-N 3.1Å
24	L	54	Low	49.9	Very low	125 Å²	125	118.5 Å²	118.5	65%	0.654	61%	0.611	S	S	*	*	H	α-helix	trans	-65	-40.6	176.7	-82.9	154.9	0	0	0	112.1	L27 S28	L24-L27 PolarHBondContact O-N 2.67Å; L24-S28 PolarHBondContact O-N 3.48Å; L24-S28 PolarHBondContact O-OG 2Å
25	L	59.5	Low	50.8	Low	85 Å²	85	112.7 Å²	112.7	45%	0.445	60%	0.595	S	S	.	*	H	α-helix	trans	-65.7	-38.5	175	-80.9	157	0	0	0	112.4	V21 S28 W29	V21-L25 HydrophobicContact CG1-CD1 3.9Å; V21-L25 PolarHBondContact O-N 3.46Å; L25-S28 WeakPolarHBondContact CA-OG 2.98Å; L25-S28 PolarHBondContact O-OG 3.19Å; L25-W29 PolarHBondContact O-N 3.44Å; L25-W29 VanDerWaalsContact O-N 3.15Å
26	R	60.2	Low	51.3	Low	193 Å²	193	111 Å²	111	73%	0.728	59%	0.586	S	S	*	*	H	α-helix	trans	-67.1	-38.6	176.5	-77.4	-174.8	177.4	-165.3	-0.4	112.5	N22 T23 I30	N22-R26 WeakPolarHBondContact O-CG 3.44Å; N22-R26 PolarHBondContact O-N 3.07Å; T23-R26 PolarHBondContact O-N 3.2Å; R26-I30 WeakPolarHBondContact O-CD1 3.46Å; R26-I30 VanDerWaalsContact O-CG1 3.29Å; R26-I30 WeakPolarHBondContact O-CG1 2.97Å; R26-I30 PolarHBondContact O-N 3.29Å; R26-I30 VanDerWaalsContact O-N 3.11Å
27	L	61.2	Low	51.6	Low	102 Å²	102	114.1 Å²	114.1	53%	0.534	59%	0.587	S	S	.	*	H	α-helix	trans	-67.8	-39.7	177.5	-78.9	159.1	0	0	0	112.1	T23 L24 I30 M31	T23-L27 PolarHBondContact O-N 3.11Å; T23-L27 VanDerWaalsContact O-N 3.1Å; L24-L27 PolarHBondContact O-N 2.67Å; L27-I30 PolarHBondContact O-N 2.98Å; L27-M31 WeakPolarHBondContact O-CB 3.44Å; L27-M31 PolarHBondContact O-N 3.16Å
28	S	59.3	Low	51.6	Low	47 Å²	47	111 Å²	111	33%	0.329	57%	0.574	S	S	.	*	H	α-helix	trans	-67.1	-38	176.7	55.3	0	0	0	0	112.6	L24 L25 M31 I32	L24-S28 PolarHBondContact O-N 3.48Å; L24-S28 PolarHBondContact O-OG 2Å; L25-S28 WeakPolarHBondContact CA-OG 2.98Å; L25-S28 PolarHBondContact O-OG 3.19Å; S28-M31 PolarHBondContact O-N 3.13Å; S28-I32 WeakPolarHBondContact O-CB 3.32Å; S28-I32 WeakPolarHBondContact O-CD1 3.26Å; S28-I32 VanDerWaalsContact O-CG1 3.25Å; S28-I32 WeakPolarHBondContact O-CG1 3.49Å; S28-I32 PolarHBondContact O-N 2.81Å
29	W	52.7	Low	51.8	Low	169 Å²	169	110.2 Å²	110.2	64%	0.64	57%	0.569	S	S	*	*	H	α-helix	trans	-65.8	-40.8	174.2	-87.8	93.1	0	0	0	113.1	L25 M31 I32 L33	L25-W29 PolarHBondContact O-N 3.44Å; L25-W29 VanDerWaalsContact O-N 3.15Å; W29-M31 VanDerWaalsContact C-N 3.32Å; W29-I32 PolarHBondContact O-N 3.02Å; W29-L33 PolarHBondContact O-N 2.97Å
30	I	65	Low	52.1	Low	98 Å²	98	115.3 Å²	115.3	50%	0.503	58%	0.578	S	S	.	*	H	α-helix	trans	-65.3	-39.3	174.9	-67.3	166.1	0	0	0	110.5	R26 L27 L33 L34	R26-I30 WeakPolarHBondContact O-CD1 3.46Å; R26-I30 VanDerWaalsContact O-CG1 3.29Å; R26-I30 WeakPolarHBondContact O-CG1 2.97Å; R26-I30 PolarHBondContact O-N 3.29Å; R26-I30 VanDerWaalsContact O-N 3.11Å; L27-I30 PolarHBondContact O-N 2.98Å; I30-L33 PolarHBondContact O-N 3.15Å; I30-L34 HydrophobicContact CG2-CD1 3.75Å; I30-L34 WeakPolarHBondContact O-CB 3.34Å; I30-L34 WeakPolarHBondContact O-CD1 3.3Å; I30-L34 WeakPolarHBondContact O-CG 3.37Å; I30-L34 PolarHBondContact O-N 3.44Å
31	M	54.5	Low	51.5	Low	114 Å²	114	114.9 Å²	114.9	56%	0.562	58%	0.577	S	S	*	*	H	α-helix	trans	-68.4	-37.9	178.4	-149.5	-174.3	-50.1	0	0	112.2	L27 S28 W29 L34 L35	L27-M31 WeakPolarHBondContact O-CB 3.44Å; L27-M31 PolarHBondContact O-N 3.16Å; S28-M31 PolarHBondContact O-N 3.13Å; W29-M31 VanDerWaalsContact C-N 3.32Å; M31-L34 PolarHBondContact O-N 3.1Å; M31-L35 HydrophobicContact CG-CD1 4.33Å; M31-L35 WeakPolarHBondContact O-CB 3.35Å; M31-L35 WeakPolarHBondContact O-CD1 3.47Å; M31-L35 WeakPolarHBondContact O-CG 3.37Å; M31-L35 PolarHBondContact O-N 3.4Å
32	I	59.3	Low	51.1	Low	85 Å²	85	117 Å²	117	44%	0.436	58%	0.581	S	S	.	*	H	α-helix	trans	-66.1	-42.4	174.6	-71.1	163.8	0	0	0	111	S28 W29 L34 L35 L36	S28-I32 WeakPolarHBondContact O-CB 3.32Å; S28-I32 WeakPolarHBondContact O-CD1 3.26Å; S28-I32 VanDerWaalsContact O-CG1 3.25Å; S28-I32 WeakPolarHBondContact O-CG1 3.49Å; S28-I32 PolarHBondContact O-N 2.81Å; W29-I32 PolarHBondContact O-N 3.02Å; I32-L34 VanDerWaalsContact C-N 3.34Å; I32-L35 PolarHBondContact O-N 3.36Å; I32-L36 HydrophobicContact CG2-CD1 3.93Å; I32-L36 WeakPolarHBondContact O-CB 3.46Å; I32-L36 PolarHBondContact O-N 2.82Å
33	L	53.2	Low	50.9	Low	106 Å²	106	116.6 Å²	116.6	56%	0.555	59%	0.591	S	S	*	*	H	α-helix	trans	-66.7	-35.2	174.8	-78.4	163.9	0	0	0	112.4	W29 I30 K37	W29-L33 PolarHBondContact O-N 2.97Å; I30-L33 PolarHBondContact O-N 3.15Å; L33-K37 PolarHBondContact O-N 3.02Å; L33-K37 VanDerWaalsContact O-N 3.08Å
34	L	49.9	Very low	51.2	Low	99 Å²	99	115.1 Å²	115.1	52%	0.518	59%	0.585	S	S	.	*	H	α-helix	trans	-68.9	-39.8	172	-80	160.3	0	0	0	111.5	I30 M31 I32 K37 V38	I30-L34 HydrophobicContact CG2-CD1 3.75Å; I30-L34 WeakPolarHBondContact O-CB 3.34Å; I30-L34 WeakPolarHBondContact O-CD1 3.3Å; I30-L34 WeakPolarHBondContact O-CG 3.37Å; I30-L34 PolarHBondContact O-N 3.44Å; M31-L34 PolarHBondContact O-N 3.1Å; I32-L34 VanDerWaalsContact C-N 3.34Å; L34-K37 CarbonylContact O-C 3.59Å; L34-K37 PolarHBondContact O-N 3.24Å; L34-V38 WeakPolarHBondContact O-CB 3.29Å; L34-V38 WeakPolarHBondContact O-CG2 3.4Å; L34-V38 PolarHBondContact O-N 3.39Å
35	L	45.7	Very low	52.7	Low	94 Å²	94	110.4 Å²	110.4	49%	0.492	57%	0.566	S	S	.	*	H	α-helix	trans	-66.8	-37.4	175.7	-81.6	156.1	0	0	0	112.1	M31 I32 K37 V38 L39	M31-L35 HydrophobicContact CG-CD1 4.33Å; M31-L35 WeakPolarHBondContact O-CB 3.35Å; M31-L35 WeakPolarHBondContact O-CD1 3.47Å; M31-L35 WeakPolarHBondContact O-CG 3.37Å; M31-L35 PolarHBondContact O-N 3.4Å; I32-L35 PolarHBondContact O-N 3.36Å; L35-K37 VanDerWaalsContact C-N 3.32Å; L35-V38 PolarHBondContact O-N 2.81Å; L35-L39 WeakPolarHBondContact O-CB 3.38Å; L35-L39 WeakPolarHBondContact O-CG 3.04Å; L35-L39 PolarHBondContact O-N 2.89Å
36	L	43.7	Very low	54.4	Low	104 Å²	104	108.2 Å²	108.2	55%	0.545	55%	0.553	S	S	.	*	H	α-helix	trans	-65.8	-32.8	171.5	-87.4	150.9	0	0	0	112.4	I32	I32-L36 HydrophobicContact CG2-CD1 3.93Å; I32-L36 WeakPolarHBondContact O-CB 3.46Å; I32-L36 PolarHBondContact O-N 2.82Å
37	K	38	Very low	56.2	Low	163 Å²	163	99.3 Å²	99.3	71%	0.709	52%	0.52	S	S	*	.	H	α-helix	trans	-76.1	-35.3	171.6	-78.1	-172.1	175.6	-170.4	0	113.2	L33 L34 L35 S41	L33-K37 PolarHBondContact O-N 3.02Å; L33-K37 VanDerWaalsContact O-N 3.08Å; L34-K37 CarbonylContact O-C 3.59Å; L34-K37 PolarHBondContact O-N 3.24Å; L35-K37 VanDerWaalsContact C-N 3.32Å; K37-S41 VanDerWaalsContact O-CB 3.29Å; K37-S41 WeakPolarHBondContact O-CB 3.45Å; K37-S41 PolarHBondContact O-N 3.12Å
38	V	38.3	Very low	57.9	Low	97 Å²	97	97.2 Å²	97.2	59%	0.588	51%	0.512	S	S	*	.	H	α-helix	trans	-76.3	-33.1	-178	171.2	0	0	0	0	111.5	L34 L35 Y40 S41	L34-V38 WeakPolarHBondContact O-CB 3.29Å; L34-V38 WeakPolarHBondContact O-CG2 3.4Å; L34-V38 PolarHBondContact O-N 3.39Å; L35-V38 PolarHBondContact O-N 2.81Å; V38-Y40 VanDerWaalsContact C-N 3.3Å; V38-Y40 PolarHBondContact O-N 3.29Å; V38-S41 PolarHBondContact O-N 3.3Å
39	L	41	Very low	59.8	Low	141 Å²	141	95 Å²	95	74%	0.738	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-17.3	175.8	-73.3	164.8	0	0	0	113.8	L35	L35-L39 WeakPolarHBondContact O-CB 3.38Å; L35-L39 WeakPolarHBondContact O-CG 3.04Å; L35-L39 PolarHBondContact O-N 2.89Å
40	Y	45.2	Very low	61.8	Low	208 Å²	208	89.3 Å²	89.3	82%	0.816	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	5.2	171.5	-96.3	-88.2	0	0	0	113.2	V38	V38-Y40 VanDerWaalsContact C-N 3.3Å; V38-Y40 PolarHBondContact O-N 3.29Å
41	S	35.6	Very low	63	Low	86 Å²	86	87.4 Å²	87.4	60%	0.601	47%	0.469	S	S	*	.			trans	-101.3	17	-177	177.1	0	0	0	0	113.4	K37 V38 A43	K37-S41 VanDerWaalsContact O-CB 3.29Å; K37-S41 WeakPolarHBondContact O-CB 3.45Å; K37-S41 PolarHBondContact O-N 3.12Å; V38-S41 PolarHBondContact O-N 3.3Å; S41-A43 VanDerWaalsContact C-N 3.33Å; S41-A43 PolarHBondContact O-N 2.85Å
42	E	45	Very low	64.8	Low	148 Å²	148	89.3 Å²	89.3	69%	0.692	48%	0.481	S	S	*	.	S	Bend	trans	-60.5	112.8	144.9	-79.3	-173.8	172.8	0	0	104.7	S44	E42-S44 VanDerWaalsContact C-N 3.26Å; E42-S44 PolarHBondContact O-N 2.88Å
43	A	47.8	Very low	66.4	Low	95 Å²	95	88 Å²	88	79%	0.785	48%	0.477	S	S	*	.			trans	-55.3	100.6	175.8	0	0	0	0	0	106.2	S41 G45	S41-A43 VanDerWaalsContact C-N 3.33Å; S41-A43 PolarHBondContact O-N 2.85Å; A43-G45 PolarHBondContact O-N 2.81Å
44	S	66.4	Low	68.5	Low	59 Å²	59	83.3 Å²	83.3	41%	0.413	46%	0.455	S	S	.	.			trans	-55.7	107.8	178	-174.2	0	0	0	0	105.8	E42	E42-S44 VanDerWaalsContact C-N 3.26Å; E42-S44 PolarHBondContact O-N 2.88Å
45	G	85.4	Confident	70.8	Confident	26 Å²	26	80.9 Å²	80.9	27%	0.268	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-66.3	160.3	-178.6	0	0	0	0	0	109.1	A43 S59	A43-G45 PolarHBondContact O-N 2.81Å; G45-S59 PolarHBondContact N-OG 2.91Å
46	K	94.5	Very high	73.3	Confident	39 Å²	39	76.7 Å²	76.7	17%	0.17	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-61	142.2	172.7	-68.8	-72.8	-172.9	161.3	0	109.5	G226 K228 V231 D278 T279	K46-G226 VanDerWaalsContact CE-O 3.25Å; K46-G226 WeakPolarHBondContact CE-O 3.4Å; K46-G226 PolarHBondContact NZ-O 3.11Å; K46-K228 PolarHBondContact NZ-O 2.94Å; K46-V231 PolarHBondContact NZ-O 2.65Å; K46-D278 HydrophobicContact CB-CB 4.21Å; K46-D278 HydrophobicContact CG-CB 3.92Å; K46-T279 VanDerWaalsContact CE-OG1 3.3Å; K46-T279 WeakPolarHBondContact CE-OG1 3.17Å; K46-T279 PolarHBondContact NZ-OG1 2.64Å
47	V	97.6	Very high	75.8	Confident	5 Å²	5	72.7 Å²	72.7	3%	0.03	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-62.5	135.6	166.8	175	0	0	0	0	108.2	F56 V57 F66 Y137 L232 L280	V47-F56 HydrophobicContact CG1-CB 3.85Å; V47-F56 HydrophobicContact CG1-CD1 4.01Å; V47-F56 HydrophobicContact CG1-CG 4.43Å; V47-V57 WeakPolarHBondContact CA-O 3.38Å; V47-F66 HydrophobicContact CG1-CE2 4.46Å; V47-F66 HydrophobicContact CG1-CZ 4.31Å; V47-F66 HydrophobicContact CG2-CZ 4.31Å; V47-Y137 HydrophobicContact CG2-CE1 3.86Å; V47-L232 HydrophobicContact CB-CD1 3.76Å; V47-L232 HydrophobicContact CG1-CD1 3.85Å; V47-L232 HydrophobicContact CG2-CD1 4.14Å; V47-L280 HydrophobicContact CG1-CD1 4.42Å
48	T	97.7	Very high	78.6	Confident	58 Å²	58	66.3 Å²	66.3	36%	0.356	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	176.1	177.8	60.6	0	0	0	0	109.9	F56 V57	T48-F56 CarbonylContact O-C 3.48Å; T48-F56 WeakPolarHBondContact O-CA 3.43Å; T48-V57 PolarHBondContact N-O 2.97Å; T48-V57 PolarHBondContact O-N 2.83Å; T48-V57 PolarHBondContact OG1-O 3.19Å
49	I	98.4	Very high	81.1	Confident	2 Å²	2	64.8 Å²	64.8	1%	0.01	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	132.5	170.4	-55.5	-56.8	0	0	0	109.5	D51 Y55 F56 L280 K317 V320	I49-D51 PolarHBondContact O-N 2.9Å; I49-Y55 WeakPolarHBondContact CA-O 3.2Å; I49-F56 HydrophobicContact CD1-CD1 3.44Å; I49-F56 VanDerWaalsContact CD1-CD1 3.44Å; I49-F56 HydrophobicContact CD1-CE1 3.6Å; I49-F56 HydrophobicContact CD1-CG 3.96Å; I49-F56 HydrophobicContact CD1-CZ 4.19Å; I49-L280 HydrophobicContact CD1-CD1 4.25Å; I49-L280 HydrophobicContact CD1-CD2 4.49Å; I49-L280 HydrophobicContact CG1-CD2 4.09Å; I49-K317 PolarHBondContact N-O 2.98Å; I49-K317 WeakPolarHBondContact O-CA 3.36Å; I49-K317 WeakPolarHBondContact O-CB 3.33Å; I49-V320 HydrophobicContact CD1-CG2 3.91Å; I49-V320 HydrophobicContact CG1-CG2 4.18Å
50	D	95.7	Very high	83.4	Confident	49 Å²	49	63 Å²	63	26%	0.262	36%	0.356	S	S	.	.			trans	-70.1	116.7	165.9	-178.2	-98.5	0	0	0	109.7	D52 T53 G54 Y55 V57	D50-D52 PolarHBondContact O-N 3.38Å; D50-D52 PolarHBondContact OD1-N 3.4Å; D50-T53 WeakPolarHBondContact CB-OG1 3.2Å; D50-T53 VanDerWaalsContact CG-OG1 3.31Å; D50-T53 PolarHBondContact O-N 3.21Å; D50-T53 WeakPolarHBondContact OD1-CB 3.5Å; D50-T53 WeakPolarHBondContact OD1-CG2 3.14Å; D50-T53 PolarHBondContact OD1-N 2.76Å; D50-T53 PolarHBondContact OD1-OG1 2.6Å; D50-G54 VanDerWaalsContact O-CA 3.3Å; D50-G54 WeakPolarHBondContact O-CA 3.44Å; D50-G54 PolarHBondContact O-N 2.85Å; D50-Y55 PolarHBondContact N-O 3.45Å; D50-V57 HydrophobicContact CB-CG2 3.81Å
51	D	91.1	Very high	85.7	Confident	58 Å²	58	55 Å²	55	31%	0.31	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-24.7	-171	-162	20.4	0	0	0	113	I49 R316 K317	I49-D51 PolarHBondContact O-N 2.9Å; D51-R316 WeakPolarHBondContact OD1-CB 3.4Å; D51-R316 WeakPolarHBondContact OD1-CD 3.48Å; D51-K317 HydrophobicContact CB-CG 4.05Å
52	D	91.4	Very high	88.5	Confident	153 Å²	153	52.3 Å²	52.3	82%	0.818	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-37.5	-178.6	-67.1	-33.4	0	0	0	111.9	D50	D50-D52 PolarHBondContact O-N 3.38Å; D50-D52 PolarHBondContact OD1-N 3.4Å
53	T	93.6	Very high	91	Very high	57 Å²	57	45.6 Å²	45.6	35%	0.35	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-21.2	-172.4	61.6	0	0	0	0	114.3	D50 Y55	D50-T53 WeakPolarHBondContact CB-OG1 3.2Å; D50-T53 VanDerWaalsContact CG-OG1 3.31Å; D50-T53 PolarHBondContact O-N 3.21Å; D50-T53 WeakPolarHBondContact OD1-CB 3.5Å; D50-T53 WeakPolarHBondContact OD1-CG2 3.14Å; D50-T53 PolarHBondContact OD1-N 2.76Å; D50-T53 PolarHBondContact OD1-OG1 2.6Å; T53-Y55 VanDerWaalsContact C-N 3.27Å; T53-Y55 VanDerWaalsContact CB-CD2 3.41Å; T53-Y55 HydrophobicContact CG2-CD2 4.2Å; T53-Y55 HydrophobicContact CG2-CE2 4.33Å; T53-Y55 WeakPolarHBondContact OG1-CD2 3.34Å; T53-Y55 PolarHBondContact OG1-N 3.05Å
54	G	96.6	Very high	93.4	Very high	9 Å²	9	42 Å²	42	9%	0.093	25%	0.249	C	C	.	.			trans	74.9	11.5	-173.9	0	0	0	0	0	114.3	D50 G368 G369	D50-G54 VanDerWaalsContact O-CA 3.3Å; D50-G54 WeakPolarHBondContact O-CA 3.44Å; D50-G54 PolarHBondContact O-N 2.85Å; G54-G368 VanDerWaalsContact CA-O 3.22Å; G54-G368 WeakPolarHBondContact CA-O 3.39Å; G54-G369 WeakPolarHBondContact O-CA 3.1Å
55	Y	97.6	Very high	95	Very high	48 Å²	48	39.3 Å²	39.3	19%	0.188	23%	0.23	C	C	.	.			trans	-80.3	150	177.9	-65.9	-48.5	0	0	0	112.4	I49 D50 T53 I63 F403 P440	I49-Y55 WeakPolarHBondContact CA-O 3.2Å; D50-Y55 PolarHBondContact N-O 3.45Å; T53-Y55 VanDerWaalsContact C-N 3.27Å; T53-Y55 VanDerWaalsContact CB-CD2 3.41Å; T53-Y55 HydrophobicContact CG2-CD2 4.2Å; T53-Y55 HydrophobicContact CG2-CE2 4.33Å; T53-Y55 WeakPolarHBondContact OG1-CD2 3.34Å; T53-Y55 PolarHBondContact OG1-N 3.05Å; Y55-I63 HydrophobicContact CD2-CD1 3.56Å; Y55-I63 HydrophobicContact CD2-CG1 4.4Å; Y55-I63 HydrophobicContact CE2-CD1 4.34Å; Y55-I63 HydrophobicContact CG-CD1 4.11Å; Y55-I63 HydrophobicContact CG-CG1 4.5Å; Y55-I63 HydrophobicContact CG-CG2 4.19Å; Y55-F403 AromaticContact CD1-CD1 3.9Å; Y55-F403 HydrophobicContact CD1-CD1 3.9Å; Y55-F403 HydrophobicContact CD1-CE1 4.4Å; Y55-F403 HydrophobicContact CE1-CB 4.27Å; Y55-F403 AromaticContact CE1-CD1 3.64Å; Y55-F403 HydrophobicContact CE1-CD1 3.64Å; Y55-F403 HydrophobicContact CE1-CE1 4.47Å; Y55-F403 HydrophobicContact CE1-CG 4.32Å; Y55-P440 HydrophobicContact CE2-CG 4.45Å
56	F	98.5	Very high	95.6	Very high	6 Å²	6	38 Å²	38	3%	0.026	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	132.7	169.3	-62.1	-90.4	0	0	0	110	V47 T48 I49 I63 K64 F66 L232 L280 F282 V320 R370 F371	V47-F56 HydrophobicContact CG1-CB 3.85Å; V47-F56 HydrophobicContact CG1-CD1 4.01Å; V47-F56 HydrophobicContact CG1-CG 4.43Å; T48-F56 CarbonylContact O-C 3.48Å; T48-F56 WeakPolarHBondContact O-CA 3.43Å; I49-F56 HydrophobicContact CD1-CD1 3.44Å; I49-F56 VanDerWaalsContact CD1-CD1 3.44Å; I49-F56 HydrophobicContact CD1-CE1 3.6Å; I49-F56 HydrophobicContact CD1-CG 3.96Å; I49-F56 HydrophobicContact CD1-CZ 4.19Å; F56-I63 CarbonylContact O-C 3.51Å; F56-I63 VanDerWaalsContact O-CA 3.27Å; F56-I63 WeakPolarHBondContact O-CA 3.43Å; F56-K64 HydrophobicContact CB-CB 4.06Å; F56-K64 PolarHBondContact O-N 3.1Å; F56-F66 HydrophobicContact CB-CD2 4.43Å; F56-F66 HydrophobicContact CB-CE2 3.67Å; F56-F66 HydrophobicContact CD1-CD2 4.39Å; F56-F66 AromaticContact CD1-CE2 3.81Å; F56-F66 HydrophobicContact CD1-CE2 3.81Å; F56-F66 HydrophobicContact CD2-CD2 4.12Å; F56-F66 HydrophobicContact CD2-CE2 4.13Å; F56-F66 HydrophobicContact CG-CD2 4.06Å; F56-F66 AromaticContact CG-CE2 3.6Å; F56-F66 HydrophobicContact CG-CE2 3.6Å; F56-L232 HydrophobicContact CD1-CD1 4.48Å; F56-L280 HydrophobicContact CD1-CD1 3.8Å; F56-L280 HydrophobicContact CE1-CD1 3.71Å; F56-F282 HydrophobicContact CE1-CZ 4.21Å; F56-F282 HydrophobicContact CZ-CZ 4.44Å; F56-V320 HydrophobicContact CE1-CG1 4.41Å; F56-V320 HydrophobicContact CE1-CG2 3.74Å; F56-V320 HydrophobicContact CZ-CG1 3.87Å; F56-V320 HydrophobicContact CZ-CG2 4Å; F56-R370 WeakPolarHBondContact CE2-O 3.3Å; F56-F371 HydrophobicContact CE1-CD2 4.46Å; F56-F371 HydrophobicContact CE2-CD2 4.03Å; F56-F371 HydrophobicContact CZ-CB 4.32Å; F56-F371 AromaticContact CZ-CD2 3.66Å; F56-F371 HydrophobicContact CZ-CD2 3.66Å; F56-F371 HydrophobicContact CZ-CG 4.48Å
57	V	97.3	Very high	95.7	Very high	19 Å²	19	36.2 Å²	36.2	12%	0.115	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	129.6	-177.1	-178.4	0	0	0	0	110.3	V47 T48 D50 G61 F62 I63	V47-V57 WeakPolarHBondContact CA-O 3.38Å; T48-V57 PolarHBondContact N-O 2.97Å; T48-V57 PolarHBondContact O-N 2.83Å; T48-V57 PolarHBondContact OG1-O 3.19Å; D50-V57 HydrophobicContact CB-CG2 3.81Å; V57-G61 VanDerWaalsContact CG1-CA 3.45Å; V57-F62 WeakPolarHBondContact CA-O 3.4Å; V57-I63 HydrophobicContact CG2-CG1 4.08Å
58	D	95.1	Very high	95.7	Very high	29 Å²	29	36 Å²	36	16%	0.155	21%	0.208	C	C	.	.			trans	-78.4	178.1	174.6	74.5	11.6	0	0	0	113	N60 G61 F62 K64	D58-N60 PolarHBondContact O-N 2.79Å; D58-N60 VanDerWaalsContact O-N 3.1Å; D58-N60 WeakPolarHBondContact OD1-CA 3.3Å; D58-N60 WeakPolarHBondContact OD1-CB 3.29Å; D58-N60 PolarHBondContact OD1-N 2.88Å; D58-G61 PolarHBondContact O-N 2.82Å; D58-G61 PolarHBondContact OD1-N 2.9Å; D58-F62 PolarHBondContact N-O 2.88Å; D58-F62 PolarHBondContact OD1-N 2.89Å; D58-K64 HydrophobicContact CB-CD 4.27Å; D58-K64 HydrophobicContact CB-CG 4.18Å
59	S	91.3	Very high	95.5	Very high	66 Å²	66	33.4 Å²	33.4	46%	0.462	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-17.7	-179.8	53.3	0	0	0	0	114.8	G45	G45-S59 PolarHBondContact N-OG 2.91Å
60	N	90	Very high	95.4	Very high	103 Å²	103	33.3 Å²	33.3	55%	0.551	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-1	179.5	-66.2	-35.2	0	0	0	112.4	D58 F62	D58-N60 PolarHBondContact O-N 2.79Å; D58-N60 VanDerWaalsContact O-N 3.1Å; D58-N60 WeakPolarHBondContact OD1-CA 3.3Å; D58-N60 WeakPolarHBondContact OD1-CB 3.29Å; D58-N60 PolarHBondContact OD1-N 2.88Å; N60-F62 HydrophobicContact CB-CD2 4.01Å; N60-F62 HydrophobicContact CB-CE2 4.38Å
61	G	92	Very high	95.4	Very high	40 Å²	40	31.1 Å²	31.1	41%	0.412	18%	0.18	S	C	.	.	S	Bend	trans	84.7	11.9	-178.6	0	0	0	0	0	113.9	V57 D58	V57-G61 VanDerWaalsContact CG1-CA 3.45Å; D58-G61 PolarHBondContact O-N 2.82Å; D58-G61 PolarHBondContact OD1-N 2.9Å
62	F	95.7	Very high	95.5	Very high	30 Å²	30	28.8 Å²	28.8	13%	0.132	17%	0.168	C	C	.	.			trans	-81.7	133.1	176.8	-77.6	-128.1	0	0	0	109.5	V57 D58 N60 K64 T436 A437 L471	V57-F62 WeakPolarHBondContact CA-O 3.4Å; D58-F62 PolarHBondContact N-O 2.88Å; D58-F62 PolarHBondContact OD1-N 2.89Å; N60-F62 HydrophobicContact CB-CD2 4.01Å; N60-F62 HydrophobicContact CB-CE2 4.38Å; F62-K64 PolarHBondContact O-N 2.75Å; F62-T436 CarbonylContact C-O 3.59Å; F62-T436 WeakPolarHBondContact CA-O 3.21Å; F62-A437 HydrophobicContact CD1-CB 4.14Å; F62-A437 HydrophobicContact CD2-CB 4.26Å; F62-A437 HydrophobicContact CE1-CB 3.78Å; F62-A437 HydrophobicContact CE2-CB 3.89Å; F62-A437 HydrophobicContact CG-CB 4.38Å; F62-A437 HydrophobicContact CZ-CB 3.65Å; F62-L471 HydrophobicContact CE1-CD2 4.12Å; F62-L471 HydrophobicContact CE1-CG 4.11Å; F62-L471 HydrophobicContact CZ-CB 4.42Å; F62-L471 HydrophobicContact CZ-CD2 4.37Å; F62-L471 HydrophobicContact CZ-CG 4.36Å; F62-L471 WeakPolarHBondContact CZ-O 3.18Å
63	I	97.9	Very high	95.5	Very high	6 Å²	6	23.6 Å²	23.6	3%	0.031	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	129.2	170.8	-74.6	171.4	0	0	0	109	Y55 F56 V57 F403 S435 T436 G438 P440	Y55-I63 HydrophobicContact CD2-CD1 3.56Å; Y55-I63 HydrophobicContact CD2-CG1 4.4Å; Y55-I63 HydrophobicContact CE2-CD1 4.34Å; Y55-I63 HydrophobicContact CG-CD1 4.11Å; Y55-I63 HydrophobicContact CG-CG1 4.5Å; Y55-I63 HydrophobicContact CG-CG2 4.19Å; F56-I63 CarbonylContact O-C 3.51Å; F56-I63 VanDerWaalsContact O-CA 3.27Å; F56-I63 WeakPolarHBondContact O-CA 3.43Å; V57-I63 HydrophobicContact CG2-CG1 4.08Å; I63-F403 HydrophobicContact CG2-CE1 3.49Å; I63-F403 VanDerWaalsContact CG2-CE1 3.49Å; I63-F403 HydrophobicContact CG2-CZ 3.98Å; I63-S435 CarbonylContact O-C 3.54Å; I63-S435 VanDerWaalsContact O-CA 3.3Å; I63-S435 WeakPolarHBondContact O-CA 3.27Å; I63-T436 PolarHBondContact N-O 2.87Å; I63-T436 PolarHBondContact O-N 3.07Å; I63-G438 WeakPolarHBondContact CD1-O 3.49Å; I63-P440 HydrophobicContact CG2-CG 4.12Å
64	K	98.1	Very high	95.4	Very high	20 Å²	20	23.2 Å²	23.2	9%	0.087	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	137.9	-179	-60.2	-64.7	-66.2	171.3	0	110.3	F56 D58 F62 F66 Q434 S435	F56-K64 HydrophobicContact CB-CB 4.06Å; F56-K64 PolarHBondContact O-N 3.1Å; D58-K64 HydrophobicContact CB-CD 4.27Å; D58-K64 HydrophobicContact CB-CG 4.18Å; F62-K64 PolarHBondContact O-N 2.75Å; K64-F66 HydrophobicContact CB-CE1 4.47Å; K64-F66 HydrophobicContact CB-CE2 3.76Å; K64-F66 HydrophobicContact CB-CZ 3.73Å; K64-F66 HydrophobicContact CG-CZ 4.34Å; K64-Q434 WeakPolarHBondContact CE-O 3.43Å; K64-Q434 PolarHBondContact NZ-O 3.11Å; K64-Q434 VanDerWaalsContact NZ-O 3.11Å; K64-S435 PolarHBondContact NZ-OG 3.18Å
65	L	98.6	Very high	95.1	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.01	15%	0.152	C	C	.	.			trans	-118.5	129.1	169.5	-173.7	61.5	0	0	0	108.4	N98 F403 Y432 P433 Q434 L443	L65-N98 PolarHBondContact O-ND2 3.3Å; L65-F403 HydrophobicContact CB-CE1 4.08Å; L65-F403 HydrophobicContact CB-CE2 4.46Å; L65-F403 HydrophobicContact CB-CZ 3.87Å; L65-F403 HydrophobicContact CD1-CD1 4.12Å; L65-F403 HydrophobicContact CD1-CE1 4.14Å; L65-F403 HydrophobicContact CD1-CG 4.39Å; L65-F403 HydrophobicContact CD1-CZ 4.46Å; L65-F403 HydrophobicContact CD2-CD2 4.11Å; L65-F403 HydrophobicContact CD2-CE2 3.86Å; L65-F403 HydrophobicContact CD2-CZ 4.11Å; L65-F403 HydrophobicContact CG-CZ 4.38Å; L65-Y432 HydrophobicContact CB-CD2 4.44Å; L65-Y432 HydrophobicContact CD2-CD2 4.02Å; L65-Y432 HydrophobicContact CG-CD2 4.3Å; L65-P433 WeakPolarHBondContact CB-O 2.99Å; L65-Q434 PolarHBondContact N-O 2.81Å; L65-L443 HydrophobicContact CD2-CD2 3.72Å
66	F	98.7	Very high	94.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.176	C	C	.	.			trans	-112.5	125.1	-175.1	-58.4	-83.5	0	0	0	112.1	V47 F56 K64 N98 V99 Y137 L232 F371 S405 W406	V47-F66 HydrophobicContact CG1-CE2 4.46Å; V47-F66 HydrophobicContact CG1-CZ 4.31Å; V47-F66 HydrophobicContact CG2-CZ 4.31Å; F56-F66 HydrophobicContact CB-CD2 4.43Å; F56-F66 HydrophobicContact CB-CE2 3.67Å; F56-F66 HydrophobicContact CD1-CD2 4.39Å; F56-F66 AromaticContact CD1-CE2 3.81Å; F56-F66 HydrophobicContact CD1-CE2 3.81Å; F56-F66 HydrophobicContact CD2-CD2 4.12Å; F56-F66 HydrophobicContact CD2-CE2 4.13Å; F56-F66 HydrophobicContact CG-CD2 4.06Å; F56-F66 AromaticContact CG-CE2 3.6Å; F56-F66 HydrophobicContact CG-CE2 3.6Å; K64-F66 HydrophobicContact CB-CE1 4.47Å; K64-F66 HydrophobicContact CB-CE2 3.76Å; K64-F66 HydrophobicContact CB-CZ 3.73Å; K64-F66 HydrophobicContact CG-CZ 4.34Å; F66-N98 WeakPolarHBondContact CA-OD1 3.45Å; F66-V99 HydrophobicContact CB-CB 4.12Å; F66-V99 HydrophobicContact CB-CG1 3.73Å; F66-V99 HydrophobicContact CD1-CB 4.18Å; F66-Y137 HydrophobicContact CD1-CD2 4.35Å; F66-Y137 AromaticContact CE1-CD2 3.64Å; F66-Y137 HydrophobicContact CE1-CD2 3.64Å; F66-Y137 AromaticContact CE1-CE2 3.97Å; F66-Y137 HydrophobicContact CE1-CE2 3.97Å; F66-Y137 AromaticContact CE1-CG 3.95Å; F66-Y137 HydrophobicContact CE1-CG 3.95Å; F66-L232 HydrophobicContact CD1-CD2 4.38Å; F66-L232 HydrophobicContact CD2-CD2 4.17Å; F66-L232 HydrophobicContact CE1-CD1 4.49Å; F66-L232 HydrophobicContact CE1-CD2 4.28Å; F66-L232 HydrophobicContact CE2-CD1 4.09Å; F66-L232 HydrophobicContact CE2-CD2 4.05Å; F66-L232 HydrophobicContact CG-CD2 4.33Å; F66-L232 HydrophobicContact CZ-CD1 3.82Å; F66-L232 HydrophobicContact CZ-CD2 4.11Å; F66-F371 HydrophobicContact CB-CE2 3.79Å; F66-F371 HydrophobicContact CB-CZ 4.1Å; F66-F371 HydrophobicContact CD2-CE2 4.27Å; F66-F371 HydrophobicContact CG-CE2 4.33Å; F66-S405 PolarHBondContact N-OG 3.06Å; F66-S405 CarbonylContact O-C 3.6Å; F66-S405 WeakPolarHBondContact O-CA 3.42Å; F66-S405 VanDerWaalsContact O-CB 3.26Å; F66-S405 WeakPolarHBondContact O-CB 3.15Å; F66-W406 PolarHBondContact O-N 3.42Å
67	H	97.7	Very high	94.7	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	129	174.7	-68.5	-176.2	0	0	0	108.2	I97 N98 V99 W406 Y432	H67-I97 WeakPolarHBondContact O-CA 3.28Å; H67-N98 PolarHBondContact N-OD1 3.26Å; H67-N98 PolarHBondContact O-N 2.87Å; H67-N98 PolarHBondContact O-OD1 3.45Å; H67-V99 PolarHBondContact O-N 2.84Å; H67-W406 CarbonylContact C-O 3.52Å; H67-W406 HydrophobicContact CB-CD2 4.38Å; H67-W406 HydrophobicContact CB-CH2 3.89Å; H67-W406 HydrophobicContact CB-CZ2 3.51Å; H67-W406 HydrophobicContact CB-CZ3 4.45Å; H67-W406 AromaticContact CD2-CD1 3.59Å; H67-W406 AromaticContact CD2-CE2 3.52Å; H67-W406 AromaticContact CD2-CZ2 3.97Å; H67-W406 AromaticContact CD2-NE1 3Å; H67-W406 PolarHBondContact CD2-NE1 3Å; H67-W406 AromaticContact CE1-NE1 3.58Å; H67-W406 AromaticContact CG-CE2 3.45Å; H67-W406 VanDerWaalsContact CG-CE2 3.45Å; H67-W406 AromaticContact CG-CZ2 3.41Å; H67-W406 VanDerWaalsContact CG-CZ2 3.41Å; H67-W406 AromaticContact CG-NE1 3.43Å; H67-W406 AromaticContact ND1-CE2 3.84Å; H67-W406 AromaticContact ND1-CZ2 3.53Å; H67-W406 AromaticContact ND1-NE1 3.75Å; H67-W406 AromaticContact NE2-CD1 3.84Å; H67-W406 AromaticContact NE2-CE2 3.96Å; H67-W406 AromaticContact NE2-NE1 3.13Å; H67-W406 PolarHBondContact NE2-NE1 3.49Å; H67-W406 VanDerWaalsContact NE2-NE1 3.13Å; H67-Y432 HydrophobicContact CB-CE1 4.2Å; H67-Y432 HydrophobicContact CB-CE2 4.34Å; H67-Y432 AromaticContact CE1-CD1 3.68Å; H67-Y432 AromaticContact CE1-CD2 3.55Å; H67-Y432 AromaticContact CE1-CG 3.34Å; H67-Y432 AromaticContact CG-CE1 3.97Å; H67-Y432 AromaticContact CG-CE2 3.82Å; H67-Y432 AromaticContact CG-CZ 3.73Å; H67-Y432 AromaticContact ND1-CD1 3.31Å; H67-Y432 VanDerWaalsContact ND1-CD1 3.31Å; H67-Y432 WeakPolarHBondContact ND1-CD1 3.39Å; H67-Y432 AromaticContact ND1-CD2 3.67Å; H67-Y432 AromaticContact ND1-CE1 3.39Å; H67-Y432 WeakPolarHBondContact ND1-CE1 3.43Å; H67-Y432 AromaticContact ND1-CE2 3.74Å; H67-Y432 AromaticContact ND1-CG 3.45Å; H67-Y432 AromaticContact ND1-CZ 3.6Å; H67-Y432 AromaticContact NE2-CD2 3.94Å
68	G	96.1	Very high	94.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	-175.8	-165.1	0	0	0	0	0	116.6	V99 W406 T407 Y408	G68-V99 WeakPolarHBondContact CA-O 3.4Å; G68-W406 PolarHBondContact N-O 2.97Å; G68-W406 WeakPolarHBondContact O-CZ3 3.38Å; G68-T407 WeakPolarHBondContact O-CA 3.34Å; G68-Y408 PolarHBondContact O-N 3.03Å
69	I	94.8	Very high	94.5	Very high	4 Å²	4	33 Å²	33	2%	0.021	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	150.6	178.2	58.5	173.2	0	0	0	110.8	L92 I97 V99 I100 R101 L414 F415	I69-L92 HydrophobicContact CD1-CD1 4.29Å; I69-L92 HydrophobicContact CD1-CD2 3.72Å; I69-I97 HydrophobicContact CG2-CD1 4.04Å; I69-V99 PolarHBondContact N-O 3.35Å; I69-I100 HydrophobicContact CG1-CG1 4.25Å; I69-I100 WeakPolarHBondContact O-CA 3.32Å; I69-R101 PolarHBondContact O-N 2.73Å; I69-L414 HydrophobicContact CG2-CD1 3.66Å; I69-F415 HydrophobicContact CD1-CE1 4.32Å; I69-F415 HydrophobicContact CD1-CE2 3.87Å; I69-F415 HydrophobicContact CD1-CZ 3.53Å
70	N	95.6	Very high	94.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	135.3	168.4	-76.7	-87.7	0	0	0	110.3	R101 T373 T407 Y408 W409 G411	N70-R101 CarbonylContact C-O 3.5Å; N70-R101 WeakPolarHBondContact CA-O 3.49Å; N70-R101 WeakPolarHBondContact OD1-CB 3.25Å; N70-R101 VanDerWaalsContact OD1-CD 3.27Å; N70-R101 WeakPolarHBondContact OD1-CD 3.36Å; N70-R101 WeakPolarHBondContact OD1-CG 3.16Å; N70-R101 PolarHBondContact OD1-NH1 3.14Å; N70-T373 PolarHBondContact ND2-O 2.96Å; N70-T407 PolarHBondContact ND2-O 2.9Å; N70-Y408 WeakPolarHBondContact CB-O 3.27Å; N70-Y408 PolarHBondContact N-O 2.78Å; N70-Y408 PolarHBondContact ND2-O 3.06Å; N70-Y408 VanDerWaalsContact ND2-O 3.15Å; N70-W409 HydrophobicContact CB-CE3 3.58Å; N70-W409 HydrophobicContact CB-CZ3 3.9Å; N70-G411 WeakPolarHBondContact O-CA 3.29Å; N70-G411 PolarHBondContact O-N 3.31Å
71	C	94.7	Very high	94.7	Very high	2 Å²	2	29 Å²	29	1%	0.014	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	75.2	178.3	-70.2	0	0	0	0	109.4	I80 L83 I100 R101 L102 G103 F415	C71-I80 HydrophobicContact CB-CD1 3.88Å; C71-L83 HydrophobicContact CB-CD1 4.06Å; C71-I100 HydrophobicContact CB-CG2 3.55Å; C71-I100 WeakPolarHBondContact SG-CG2 3.49Å; C71-R101 PolarHBondContact N-O 2.98Å; C71-L102 HydrophobicContact CB-CD1 4.18Å; C71-G103 PolarHBondContact O-N 2.64Å; C71-G103 VanDerWaalsContact O-N 3.15Å; C71-F415 VanDerWaalsContact SG-CE2 3.52Å
72	V	93.6	Very high	94.7	Very high	10 Å²	10	31.1 Å²	31.1	6%	0.061	17%	0.166	C	C	.	.			trans	-114.8	112.8	-176.4	179.6	0	0	0	0	110	K74 H143 W409 Y412	V72-K74 HydrophobicContact CG1-CG 3.93Å; V72-H143 HydrophobicContact CG1-CB 3.73Å; V72-H143 HydrophobicContact CG2-CB 4.34Å; V72-W409 HydrophobicContact CB-CH2 4.09Å; V72-W409 HydrophobicContact CB-CZ3 4.29Å; V72-W409 HydrophobicContact CG2-CH2 4.27Å; V72-W409 HydrophobicContact CG2-CZ3 3.98Å; V72-Y412 WeakPolarHBondContact O-CE2 3.31Å; V72-Y412 PolarHBondContact O-OH 2.89Å; V72-Y412 VanDerWaalsContact O-OH 3.08Å
73	H	92.4	Very high	94.6	Very high	43 Å²	43	29.7 Å²	29.7	20%	0.199	16%	0.16	C	C	.	.			trans	-98.6	108.7	173.8	-155.2	48.1	0	0	0	111	V75 F78 Y79 I80 Y412	H73-V75 VanDerWaalsContact C-N 3.28Å; H73-V75 PolarHBondContact CD2-O 2.92Å; H73-V75 PolarHBondContact O-N 2.85Å; H73-F78 WeakPolarHBondContact O-CA 3.33Å; H73-Y79 PolarHBondContact CD2-O 3.49Å; H73-Y79 VanDerWaalsContact CD2-O 3.32Å; H73-I80 HydrophobicContact CB-CG1 4.49Å; H73-Y412 WeakPolarHBondContact CA-OH 3.42Å; H73-Y412 WeakPolarHBondContact CB-OH 3.35Å; H73-Y412 PolarHBondContact N-OH 2.85Å; H73-Y412 AromaticContact ND1-CE1 3.6Å; H73-Y412 AromaticContact ND1-CZ 3.36Å; H73-Y412 PolarHBondContact ND1-OH 3.46Å
74	K	91.3	Very high	94.5	Very high	49 Å²	49	32.2 Å²	32.2	21%	0.213	17%	0.173	C	C	.	.			trans	-84.1	2	-172.4	-56.7	-178.9	-176.4	-173.3	0	113.8	V72 H143 D145 I154 W409	V72-K74 HydrophobicContact CG1-CG 3.93Å; K74-H143 VanDerWaalsContact CE-CD2 3.43Å; K74-H143 WeakPolarHBondContact CE-CD2 3.19Å; K74-H143 VanDerWaalsContact CE-NE2 3.28Å; K74-H143 WeakPolarHBondContact CE-NE2 3.27Å; K74-H143 PolarHBondContact NZ-NE2 3.33Å; K74-D145 VanDerWaalsContact NZ-CG 3.26Å; K74-D145 IonicContact NZ-OD1 2.77Å; K74-D145 PolarHBondContact NZ-OD1 3.22Å; K74-D145 IonicContact NZ-OD2 2.75Å; K74-D145 PolarHBondContact NZ-OD2 3Å; K74-I154 HydrophobicContact CB-CD1 4.47Å; K74-I154 HydrophobicContact CB-CG2 4.2Å; K74-I154 HydrophobicContact CD-CD1 4.24Å; K74-W409 VanDerWaalsContact NZ-CH2 3.31Å
75	V	90.7	Very high	94.3	Very high	85 Å²	85	35.1 Å²	35.1	52%	0.515	19%	0.19	S	C	.	.	S	Bend	trans	-136.4	163.7	-179.1	-62.3	0	0	0	0	110.7	H73 F78	H73-V75 VanDerWaalsContact C-N 3.28Å; H73-V75 PolarHBondContact CD2-O 2.92Å; H73-V75 PolarHBondContact O-N 2.85Å; V75-F78 VanDerWaalsContact O-CA 3.31Å; V75-F78 WeakPolarHBondContact O-CA 3.36Å; V75-F78 PolarHBondContact O-N 2.9Å
76	T	92.2	Very high	94.1	Very high	112 Å²	112	37 Å²	37	69%	0.687	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.7	128.7	175.6	-56.3	0	0	0	0	110.9	F78	T76-F78 WeakPolarHBondContact OG1-CE2 3.35Å
77	P	94.7	Very high	93.7	Very high	46 Å²	46	41.8 Å²	41.8	30%	0.299	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	cis	-93.9	16	16.1	39.2	-39.5	0	0	0	116	Y79 P81	P77-Y79 HydrophobicContact CB-CD1 4.04Å; P77-Y79 HydrophobicContact CB-CE1 3.49Å; P77-Y79 VanDerWaalsContact CB-CE1 3.49Å; P77-Y79 HydrophobicContact CG-CD1 4.13Å; P77-Y79 HydrophobicContact CG-CE1 3.76Å; P77-Y79 HydrophobicContact CG-CE2 4.35Å; P77-Y79 WeakPolarHBondContact O-CD1 3.48Å; P77-Y79 WeakPolarHBondContact O-CE1 3.42Å; P77-Y79 PolarHBondContact O-N 2.87Å; P77-P81 HydrophobicContact CG-CG 4.28Å
78	F	95	Very high	93.4	Very high	34 Å²	34	41.9 Å²	41.9	15%	0.149	23%	0.225	C	C	.	.	S	Bend	trans	63.8	22.3	178.1	-54.5	-80.1	0	0	0	115.7	H73 V75 T76 I107 A108 Y120	H73-F78 WeakPolarHBondContact O-CA 3.33Å; V75-F78 VanDerWaalsContact O-CA 3.31Å; V75-F78 WeakPolarHBondContact O-CA 3.36Å; V75-F78 PolarHBondContact O-N 2.9Å; T76-F78 WeakPolarHBondContact OG1-CE2 3.35Å; F78-I107 HydrophobicContact CE2-CG2 4.47Å; F78-I107 HydrophobicContact CZ-CG2 4.16Å; F78-A108 HydrophobicContact CB-CB 3.8Å; F78-A108 HydrophobicContact CD2-CB 3.72Å; F78-A108 HydrophobicContact CG-CB 3.95Å; F78-Y120 HydrophobicContact CB-CE2 4.1Å; F78-Y120 PolarHBondContact O-OH 2.86Å
79	Y	94.3	Very high	93.2	Very high	39 Å²	39	41.9 Å²	41.9	15%	0.153	23%	0.225	C	C	.	.	S	Bend	trans	-150.3	162.9	165.4	62.7	-87.1	0	0	0	108.2	H73 P77 P81 L84 Y120 I123 I127	H73-Y79 PolarHBondContact CD2-O 3.49Å; H73-Y79 VanDerWaalsContact CD2-O 3.32Å; P77-Y79 HydrophobicContact CB-CD1 4.04Å; P77-Y79 HydrophobicContact CB-CE1 3.49Å; P77-Y79 VanDerWaalsContact CB-CE1 3.49Å; P77-Y79 HydrophobicContact CG-CD1 4.13Å; P77-Y79 HydrophobicContact CG-CE1 3.76Å; P77-Y79 HydrophobicContact CG-CE2 4.35Å; P77-Y79 WeakPolarHBondContact O-CD1 3.48Å; P77-Y79 WeakPolarHBondContact O-CE1 3.42Å; P77-Y79 PolarHBondContact O-N 2.87Å; Y79-P81 HydrophobicContact CE2-CB 4.33Å; Y79-P81 HydrophobicContact CE2-CG 4.24Å; Y79-P81 VanDerWaalsContact O-CD 3.3Å; Y79-P81 WeakPolarHBondContact O-CD 3.46Å; Y79-L84 HydrophobicContact CD2-CD1 4.48Å; Y79-L84 HydrophobicContact CE2-CD1 3.66Å; Y79-L84 HydrophobicContact CE2-CG 4.26Å; Y79-Y120 HydrophobicContact CD1-CD2 4.42Å; Y79-Y120 HydrophobicContact CD1-CE2 4.16Å; Y79-I123 HydrophobicContact CD1-CG2 3.65Å; Y79-I123 HydrophobicContact CD2-CG2 3.83Å; Y79-I123 HydrophobicContact CE1-CD1 3.87Å; Y79-I123 HydrophobicContact CE1-CG2 3.64Å; Y79-I123 HydrophobicContact CE2-CG2 3.82Å; Y79-I123 HydrophobicContact CG-CG2 3.76Å; Y79-I127 HydrophobicContact CD2-CD1 4.12Å; Y79-I127 HydrophobicContact CG-CD1 4.33Å
80	I	92.4	Very high	92.9	Very high	10 Å²	10	45.2 Å²	45.2	5%	0.051	24%	0.239	C	C	.	.			trans	-85.4	113.3	175	-60.9	175.4	0	0	0	108.3	C71 H73 K82 L83 Y412 F415	C71-I80 HydrophobicContact CB-CD1 3.88Å; H73-I80 HydrophobicContact CB-CG1 4.49Å; I80-K82 HydrophobicContact CG2-CB 3.98Å; I80-K82 PolarHBondContact O-N 3.38Å; I80-K82 VanDerWaalsContact O-N 3.08Å; I80-L83 HydrophobicContact CB-CD1 3.93Å; I80-L83 HydrophobicContact CB-CG 3.98Å; I80-L83 HydrophobicContact CD1-CD1 4.44Å; I80-L83 HydrophobicContact CG2-CG 4.24Å; I80-L83 WeakPolarHBondContact O-CB 3.39Å; I80-L83 PolarHBondContact O-N 2.82Å; I80-Y412 HydrophobicContact CD1-CE1 3.94Å; I80-Y412 HydrophobicContact CD1-CE2 4.2Å; I80-Y412 HydrophobicContact CG1-CE1 3.77Å; I80-Y412 WeakPolarHBondContact CG1-OH 3.2Å; I80-F415 HydrophobicContact CD1-CD2 4.04Å; I80-F415 HydrophobicContact CD1-CE2 3.81Å
81	P	92.8	Very high	92.6	Very high	77 Å²	77	46.4 Å²	46.4	50%	0.5	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-58.5	-29.2	-175.4	-27.6	37	0	0	0	114.2	P77 Y79 L83 L84	P77-P81 HydrophobicContact CG-CG 4.28Å; Y79-P81 HydrophobicContact CE2-CB 4.33Å; Y79-P81 HydrophobicContact CE2-CG 4.24Å; Y79-P81 VanDerWaalsContact O-CD 3.3Å; Y79-P81 WeakPolarHBondContact O-CD 3.46Å; P81-L83 PolarHBondContact O-N 2.88Å; P81-L84 WeakPolarHBondContact O-CB 3.27Å; P81-L84 PolarHBondContact O-N 3.03Å
82	K	90.9	Very high	92.4	Very high	84 Å²	84	46.4 Å²	46.4	37%	0.365	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-60.9	-25.1	177.4	-164.3	167.9	-172.6	176	0	113.4	I80 L84 D85 T88 F415 L418	I80-K82 HydrophobicContact CG2-CB 3.98Å; I80-K82 PolarHBondContact O-N 3.38Å; I80-K82 VanDerWaalsContact O-N 3.08Å; K82-L84 PolarHBondContact O-N 2.87Å; K82-D85 PolarHBondContact O-N 3.1Å; K82-T88 HydrophobicContact CG-CG2 4.13Å; K82-T88 WeakPolarHBondContact CG-OG1 3.3Å; K82-T88 WeakPolarHBondContact O-CB 3.28Å; K82-T88 PolarHBondContact O-OG1 3.12Å; K82-F415 HydrophobicContact CD-CD1 4.29Å; K82-F415 PolarHBondContact NZ-O 3Å; K82-L418 HydrophobicContact CD-CD1 4.23Å; K82-L418 VanDerWaalsContact NZ-CG 3.32Å
83	L	93.3	Very high	92.2	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-73.8	-10.4	176.2	-61	177.2	0	0	0	113.1	C71 I80 P81 D85 T88 F89 I100 L102 I127 N130 F415	C71-L83 HydrophobicContact CB-CD1 4.06Å; I80-L83 HydrophobicContact CB-CD1 3.93Å; I80-L83 HydrophobicContact CB-CG 3.98Å; I80-L83 HydrophobicContact CD1-CD1 4.44Å; I80-L83 HydrophobicContact CG2-CG 4.24Å; I80-L83 WeakPolarHBondContact O-CB 3.39Å; I80-L83 PolarHBondContact O-N 2.82Å; P81-L83 PolarHBondContact O-N 2.88Å; L83-D85 VanDerWaalsContact C-N 3.27Å; L83-T88 HydrophobicContact CD2-CG2 4.06Å; L83-F89 HydrophobicContact CB-CE2 4.41Å; L83-F89 HydrophobicContact CB-CZ 4.25Å; L83-F89 HydrophobicContact CD2-CE1 4.28Å; L83-F89 HydrophobicContact CD2-CE2 4.42Å; L83-F89 HydrophobicContact CD2-CZ 3.91Å; L83-F89 VanDerWaalsContact O-CE2 3.3Å; L83-F89 WeakPolarHBondContact O-CE2 3.22Å; L83-I100 HydrophobicContact CD2-CD1 4.39Å; L83-L102 HydrophobicContact CD1-CD1 4.09Å; L83-I127 HydrophobicContact CB-CB 4.47Å; L83-I127 HydrophobicContact CB-CD1 3.98Å; L83-I127 HydrophobicContact CB-CG1 3.84Å; L83-I127 HydrophobicContact CB-CG2 3.94Å; L83-I127 HydrophobicContact CD1-CG2 4.1Å; L83-N130 PolarHBondContact O-ND2 3.49Å; L83-F415 HydrophobicContact CD2-CE1 4.3Å; L83-F415 HydrophobicContact CD2-CZ 3.97Å
84	L	96.2	Very high	92.1	Very high	58 Å²	58	48 Å²	48	30%	0.304	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-76.4	-16.9	171.9	-68.4	173.5	0	0	0	113	Y79 P81 K82 P86 I123 K126 I127 N130	Y79-L84 HydrophobicContact CD2-CD1 4.48Å; Y79-L84 HydrophobicContact CE2-CD1 3.66Å; Y79-L84 HydrophobicContact CE2-CG 4.26Å; P81-L84 WeakPolarHBondContact O-CB 3.27Å; P81-L84 PolarHBondContact O-N 3.03Å; K82-L84 PolarHBondContact O-N 2.87Å; L84-P86 WeakPolarHBondContact O-CD 3.27Å; L84-I123 HydrophobicContact CD2-CG2 4.17Å; L84-K126 HydrophobicContact CD2-CB 4.09Å; L84-K126 HydrophobicContact CD2-CG 3.87Å; L84-I127 HydrophobicContact CD2-CG1 3.97Å; L84-I127 HydrophobicContact CG-CG1 4.47Å; L84-N130 PolarHBondContact O-ND2 2.72Å
85	D	94.6	Very high	92	Very high	82 Å²	82	46.2 Å²	46.2	44%	0.439	24%	0.244	S	C	.	.	S	Bend	trans	-87.6	116.7	171.8	-177.2	0.4	0	0	0	110.2	K82 L83 H87 T88	K82-D85 PolarHBondContact O-N 3.1Å; L83-D85 VanDerWaalsContact C-N 3.27Å; D85-H87 PolarHBondContact O-N 3.45Å; D85-H87 VanDerWaalsContact O-N 3.13Å; D85-H87 VanDerWaalsContact OD1-CB 3.31Å; D85-H87 WeakPolarHBondContact OD1-CB 3.3Å; D85-H87 PolarHBondContact OD1-N 2.89Å; D85-T88 WeakPolarHBondContact O-CB 3.46Å; D85-T88 PolarHBondContact O-N 2.98Å; D85-T88 VanDerWaalsContact O-N 3.09Å; D85-T88 PolarHBondContact O-OG1 3.42Å
86	P	93.9	Very high	92.1	Very high	40 Å²	40	42.3 Å²	42.3	26%	0.26	22%	0.22	S	C	.	.	H	α-helix	trans	-54.8	-29.7	174.8	-21.4	30.5	0	0	0	113.4	L84 T88 F89 K90 Y134	L84-P86 WeakPolarHBondContact O-CD 3.27Å; P86-T88 PolarHBondContact O-N 3.27Å; P86-F89 PolarHBondContact O-N 2.78Å; P86-F89 VanDerWaalsContact O-N 3.09Å; P86-K90 PolarHBondContact O-N 2.9Å; P86-Y134 HydrophobicContact CB-CE2 3.89Å; P86-Y134 WeakPolarHBondContact O-CE2 3.47Å
87	H	91.3	Very high	92.2	Very high	101 Å²	101	37.3 Å²	37.3	47%	0.468	19%	0.19	S	C	.	.	H	α-helix	trans	-60.4	-30.6	179.4	-173.9	70.3	0	0	0	112.7	D85 F89 K90 V91	D85-H87 PolarHBondContact O-N 3.45Å; D85-H87 VanDerWaalsContact O-N 3.13Å; D85-H87 VanDerWaalsContact OD1-CB 3.31Å; D85-H87 WeakPolarHBondContact OD1-CB 3.3Å; D85-H87 PolarHBondContact OD1-N 2.89Å; H87-F89 VanDerWaalsContact C-N 3.26Å; H87-F89 PolarHBondContact O-N 2.96Å; H87-K90 VanDerWaalsContact O-CB 3.28Å; H87-K90 WeakPolarHBondContact O-CB 3.16Å; H87-K90 PolarHBondContact O-N 2.87Å; H87-K90 VanDerWaalsContact O-N 3.1Å; H87-V91 PolarHBondContact O-N 2.78Å; H87-V91 VanDerWaalsContact O-N 3.09Å
88	T	91.1	Very high	92.2	Very high	4 Å²	4	35.5 Å²	35.5	3%	0.025	18%	0.177	C	C	.	.	H	α-helix	trans	-56.7	-42.2	175.3	-59.9	0	0	0	0	111.5	K82 L83 D85 P86 V91 L92 F415	K82-T88 HydrophobicContact CG-CG2 4.13Å; K82-T88 WeakPolarHBondContact CG-OG1 3.3Å; K82-T88 WeakPolarHBondContact O-CB 3.28Å; K82-T88 PolarHBondContact O-OG1 3.12Å; L83-T88 HydrophobicContact CD2-CG2 4.06Å; D85-T88 WeakPolarHBondContact O-CB 3.46Å; D85-T88 PolarHBondContact O-N 2.98Å; D85-T88 VanDerWaalsContact O-N 3.09Å; D85-T88 PolarHBondContact O-OG1 3.42Å; P86-T88 PolarHBondContact O-N 3.27Å; T88-V91 PolarHBondContact O-N 3.26Å; T88-L92 HydrophobicContact CG2-CD1 4.36Å; T88-L92 WeakPolarHBondContact O-CG 3.21Å; T88-L92 PolarHBondContact O-N 3.06Å; T88-F415 HydrophobicContact CG2-CD1 4.4Å; T88-F415 HydrophobicContact CG2-CE1 3.83Å
89	F	91.5	Very high	92.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-73	-28.2	178.6	-66.4	-80.4	0	0	0	113.1	L83 P86 H87 V91 L92 R93 I100 I127 N130 A131 Y134 V136	L83-F89 HydrophobicContact CB-CE2 4.41Å; L83-F89 HydrophobicContact CB-CZ 4.25Å; L83-F89 HydrophobicContact CD2-CE1 4.28Å; L83-F89 HydrophobicContact CD2-CE2 4.42Å; L83-F89 HydrophobicContact CD2-CZ 3.91Å; L83-F89 VanDerWaalsContact O-CE2 3.3Å; L83-F89 WeakPolarHBondContact O-CE2 3.22Å; P86-F89 PolarHBondContact O-N 2.78Å; P86-F89 VanDerWaalsContact O-N 3.09Å; H87-F89 VanDerWaalsContact C-N 3.26Å; H87-F89 PolarHBondContact O-N 2.96Å; F89-V91 VanDerWaalsContact C-N 3.34Å; F89-L92 HydrophobicContact CD1-CD1 4.28Å; F89-R93 WeakPolarHBondContact O-CB 3.37Å; F89-R93 PolarHBondContact O-N 3.43Å; F89-I100 HydrophobicContact CD1-CD1 4.19Å; F89-I100 HydrophobicContact CE1-CD1 3.55Å; F89-I100 HydrophobicContact CZ-CD1 4.48Å; F89-I127 HydrophobicContact CZ-CG2 4.14Å; F89-N130 HydrophobicContact CD2-CB 3.68Å; F89-N130 HydrophobicContact CE2-CB 3.46Å; F89-N130 VanDerWaalsContact CE2-CB 3.46Å; F89-N130 HydrophobicContact CZ-CB 4.44Å; F89-A131 HydrophobicContact CD1-CB 3.74Å; F89-A131 HydrophobicContact CE1-CB 3.33Å; F89-A131 HydrophobicContact CE2-CB 4.45Å; F89-A131 HydrophobicContact CG-CB 4.42Å; F89-A131 HydrophobicContact CZ-CB 3.74Å; F89-Y134 HydrophobicContact CB-CD2 3.5Å; F89-Y134 HydrophobicContact CB-CE2 4.24Å; F89-Y134 HydrophobicContact CB-CG 3.97Å; F89-V136 HydrophobicContact CD1-CB 4.26Å; F89-V136 HydrophobicContact CD1-CG1 4.3Å; F89-V136 HydrophobicContact CD1-CG2 4.33Å
90	K	89.4	Confident	92.5	Very high	73 Å²	73	32.1 Å²	32.1	32%	0.317	16%	0.163	S	C	.	.	H	α-helix	trans	-59.4	-47.6	167.7	-172.5	-172.5	170.2	-67.5	0	110.6	P86 H87 R93 D94 Y134	P86-K90 PolarHBondContact O-N 2.9Å; H87-K90 VanDerWaalsContact O-CB 3.28Å; H87-K90 WeakPolarHBondContact O-CB 3.16Å; H87-K90 PolarHBondContact O-N 2.87Å; H87-K90 VanDerWaalsContact O-N 3.1Å; K90-R93 PolarHBondContact O-N 3.37Å; K90-D94 IonicContact NZ-OD2 3.91Å; K90-D94 PolarHBondContact NZ-OD2 2.93Å; K90-D94 WeakPolarHBondContact O-CB 3.44Å; K90-D94 PolarHBondContact O-N 3.34Å; K90-Y134 HydrophobicContact CB-CD1 3.93Å; K90-Y134 HydrophobicContact CB-CE1 3.5Å; K90-Y134 VanDerWaalsContact CB-CE1 3.5Å; K90-Y134 HydrophobicContact CG-CD1 4.37Å; K90-Y134 HydrophobicContact CG-CE1 3.93Å
91	V	88.1	Confident	92.8	Very high	26 Å²	26	31.6 Å²	31.6	16%	0.158	16%	0.161	C	C	.	.	H	α-helix	trans	-62.5	-48.2	179.4	177	0	0	0	0	110.8	H87 T88 F89 R93 D94 W95 L418	H87-V91 PolarHBondContact O-N 2.78Å; H87-V91 VanDerWaalsContact O-N 3.09Å; T88-V91 PolarHBondContact O-N 3.26Å; F89-V91 VanDerWaalsContact C-N 3.34Å; V91-R93 PolarHBondContact O-N 2.79Å; V91-D94 CarbonylContact O-C 3.53Å; V91-D94 PolarHBondContact O-N 2.79Å; V91-D94 VanDerWaalsContact O-N 3.1Å; V91-W95 HydrophobicContact CG1-CD2 4.21Å; V91-W95 HydrophobicContact CG1-CZ2 4Å; V91-W95 VanDerWaalsContact O-CD1 3.25Å; V91-W95 VanDerWaalsContact O-CG 3.29Å; V91-W95 PolarHBondContact O-N 2.71Å; V91-L418 HydrophobicContact CG1-CB 4.48Å; V91-L418 HydrophobicContact CG1-CD1 4.24Å; V91-L418 HydrophobicContact CG1-CD2 4.31Å
92	L	90.5	Very high	93	Very high	1 Å²	1	28 Å²	28	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-58.9	-45.3	177.3	-69	177.8	0	0	0	112	I69 T88 F89 D94 W95 G96 I97 I100 F415	I69-L92 HydrophobicContact CD1-CD1 4.29Å; I69-L92 HydrophobicContact CD1-CD2 3.72Å; T88-L92 HydrophobicContact CG2-CD1 4.36Å; T88-L92 WeakPolarHBondContact O-CG 3.21Å; T88-L92 PolarHBondContact O-N 3.06Å; F89-L92 HydrophobicContact CD1-CD1 4.28Å; L92-D94 VanDerWaalsContact C-N 3.31Å; L92-D94 PolarHBondContact O-N 3.34Å; L92-W95 HydrophobicContact CD2-CE3 4.09Å; L92-W95 HydrophobicContact CD2-CZ3 4.47Å; L92-W95 CarbonylContact O-C 3.54Å; L92-W95 WeakPolarHBondContact O-CA 3.13Å; L92-W95 VanDerWaalsContact O-CB 3.3Å; L92-W95 WeakPolarHBondContact O-CB 3.4Å; L92-W95 PolarHBondContact O-N 3.19Å; L92-G96 PolarHBondContact O-N 2.97Å; L92-I97 HydrophobicContact CB-CB 4.01Å; L92-I97 HydrophobicContact CB-CG2 4.22Å; L92-I97 HydrophobicContact CD2-CG1 4.36Å; L92-I97 VanDerWaalsContact O-CB 3.28Å; L92-I97 WeakPolarHBondContact O-CB 3.46Å; L92-I97 PolarHBondContact O-N 3.21Å; L92-I100 HydrophobicContact CD1-CD1 3.7Å; L92-F415 HydrophobicContact CD1-CE1 4.11Å; L92-F415 HydrophobicContact CD1-CZ 4.21Å; L92-F415 HydrophobicContact CD2-CE1 4.1Å; L92-F415 HydrophobicContact CD2-CZ 4.47Å; L92-F415 HydrophobicContact CG-CE1 4.42Å
93	R	90.2	Very high	93.3	Very high	51 Å²	51	24.4 Å²	24.4	19%	0.192	12%	0.124	C	C	.	.	H	α-helix	trans	-59.8	-42.4	173.9	-179.7	-155.2	66.7	175.9	4.9	111.7	F89 K90 V91 W95 G96	F89-R93 WeakPolarHBondContact O-CB 3.37Å; F89-R93 PolarHBondContact O-N 3.43Å; K90-R93 PolarHBondContact O-N 3.37Å; V91-R93 PolarHBondContact O-N 2.79Å; R93-W95 PolarHBondContact O-N 2.91Å; R93-G96 PolarHBondContact O-N 3.44Å
94	D	89	Confident	93.6	Very high	35 Å²	35	24.5 Å²	24.5	19%	0.187	12%	0.124	C	C	.	.	H	α-helix	trans	-66.2	-20	178.5	-65.4	-12	0	0	0	111.6	K90 V91 L92 F476 N506	K90-D94 IonicContact NZ-OD2 3.91Å; K90-D94 PolarHBondContact NZ-OD2 2.93Å; K90-D94 WeakPolarHBondContact O-CB 3.44Å; K90-D94 PolarHBondContact O-N 3.34Å; V91-D94 CarbonylContact O-C 3.53Å; V91-D94 PolarHBondContact O-N 2.79Å; V91-D94 VanDerWaalsContact O-N 3.1Å; L92-D94 VanDerWaalsContact C-N 3.31Å; L92-D94 PolarHBondContact O-N 3.34Å; D94-F476 WeakPolarHBondContact O-CZ 3.5Å; D94-N506 PolarHBondContact O-ND2 2.88Å
95	W	89.2	Confident	93.6	Very high	13 Å²	13	22.7 Å²	22.7	5%	0.049	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-1	170.6	-63.7	-1.1	0	0	0	114.1	V91 L92 R93 I97 L414 L418 L425 S429 F476	V91-W95 HydrophobicContact CG1-CD2 4.21Å; V91-W95 HydrophobicContact CG1-CZ2 4Å; V91-W95 VanDerWaalsContact O-CD1 3.25Å; V91-W95 VanDerWaalsContact O-CG 3.29Å; V91-W95 PolarHBondContact O-N 2.71Å; L92-W95 HydrophobicContact CD2-CE3 4.09Å; L92-W95 HydrophobicContact CD2-CZ3 4.47Å; L92-W95 CarbonylContact O-C 3.54Å; L92-W95 WeakPolarHBondContact O-CA 3.13Å; L92-W95 VanDerWaalsContact O-CB 3.3Å; L92-W95 WeakPolarHBondContact O-CB 3.4Å; L92-W95 PolarHBondContact O-N 3.19Å; R93-W95 PolarHBondContact O-N 2.91Å; W95-I97 VanDerWaalsContact C-N 3.34Å; W95-I97 HydrophobicContact CB-CG1 4.4Å; W95-L414 HydrophobicContact CZ3-CB 4.38Å; W95-L418 HydrophobicContact CE3-CD2 4.37Å; W95-L418 HydrophobicContact CH2-CB 4.3Å; W95-L418 HydrophobicContact CH2-CD2 3.12Å; W95-L418 HydrophobicContact CH2-CG 4.24Å; W95-L418 HydrophobicContact CZ2-CB 4.26Å; W95-L418 HydrophobicContact CZ2-CD2 3.71Å; W95-L418 HydrophobicContact CZ3-CD2 3.47Å; W95-L418 VanDerWaalsContact CZ3-CD2 3.47Å; W95-L425 HydrophobicContact CB-CD1 3.97Å; W95-L425 HydrophobicContact CD2-CD1 3.45Å; W95-L425 VanDerWaalsContact CD2-CD1 3.45Å; W95-L425 HydrophobicContact CD2-CD2 3.92Å; W95-L425 HydrophobicContact CD2-CG 4.34Å; W95-L425 HydrophobicContact CE3-CD1 3.6Å; W95-L425 HydrophobicContact CG-CD1 3.66Å; W95-L425 HydrophobicContact CG-CD2 3.94Å; W95-L425 HydrophobicContact CG-CG 4.4Å; W95-L425 HydrophobicContact CH2-CD1 4.37Å; W95-L425 HydrophobicContact CZ2-CD1 4.33Å; W95-L425 HydrophobicContact CZ2-CD2 3.96Å; W95-L425 HydrophobicContact CZ3-CD1 4.07Å; W95-S429 WeakPolarHBondContact O-CA 3.26Å; W95-S429 WeakPolarHBondContact O-CB 3.41Å; W95-S429 PolarHBondContact O-OG 3.33Å; W95-F476 VanDerWaalsContact C-CZ 3.41Å
96	G	93.1	Very high	93.8	Very high	2 Å²	2	18.9 Å²	18.9	2%	0.021	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.8	7.7	-179.5	0	0	0	0	0	114	L92 R93 N98 Y432 F476	L92-G96 PolarHBondContact O-N 2.97Å; R93-G96 PolarHBondContact O-N 3.44Å; G96-N98 PolarHBondContact O-N 2.92Å; G96-Y432 WeakPolarHBondContact O-CE1 2.96Å; G96-Y432 PolarHBondContact O-OH 2.93Å; G96-F476 VanDerWaalsContact CA-CE2 3.41Å
97	I	94	Very high	94	Very high	8 Å²	8	18.6 Å²	18.6	4%	0.041	9%	0.092	C	C	.	.			trans	-74.3	122.3	173.8	-59.3	-57	0	0	0	109.1	H67 I69 L92 W95 V99 I100	H67-I97 WeakPolarHBondContact O-CA 3.28Å; I69-I97 HydrophobicContact CG2-CD1 4.04Å; L92-I97 HydrophobicContact CB-CB 4.01Å; L92-I97 HydrophobicContact CB-CG2 4.22Å; L92-I97 HydrophobicContact CD2-CG1 4.36Å; L92-I97 VanDerWaalsContact O-CB 3.28Å; L92-I97 WeakPolarHBondContact O-CB 3.46Å; L92-I97 PolarHBondContact O-N 3.21Å; W95-I97 VanDerWaalsContact C-N 3.34Å; W95-I97 HydrophobicContact CB-CG1 4.4Å; I97-V99 WeakPolarHBondContact CG2-O 3.34Å; I97-I100 HydrophobicContact CG2-CG1 4.49Å
98	N	96.5	Very high	94.3	Very high	8 Å²	8	14.4 Å²	14.4	4%	0.043	7%	0.074	C	C	.	.			trans	-122.6	2.2	178.1	69.9	0.7	0	0	0	113.1	L65 F66 H67 G96 V136 Y137 Y432	L65-N98 PolarHBondContact O-ND2 3.3Å; F66-N98 WeakPolarHBondContact CA-OD1 3.45Å; H67-N98 PolarHBondContact N-OD1 3.26Å; H67-N98 PolarHBondContact O-N 2.87Å; H67-N98 PolarHBondContact O-OD1 3.45Å; G96-N98 PolarHBondContact O-N 2.92Å; N98-V136 WeakPolarHBondContact O-CA 3.46Å; N98-Y137 PolarHBondContact O-N 3.1Å; N98-Y432 PolarHBondContact ND2-OH 3.06Å
99	V	98.2	Very high	94.7	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	148.9	173.2	69.7	0	0	0	0	111.5	F66 H67 G68 I69 I97 Y137 I139 L232 F371 T407	F66-V99 HydrophobicContact CB-CB 4.12Å; F66-V99 HydrophobicContact CB-CG1 3.73Å; F66-V99 HydrophobicContact CD1-CB 4.18Å; H67-V99 PolarHBondContact O-N 2.84Å; G68-V99 WeakPolarHBondContact CA-O 3.4Å; I69-V99 PolarHBondContact N-O 3.35Å; I97-V99 WeakPolarHBondContact CG2-O 3.34Å; V99-Y137 CarbonylContact C-O 3.55Å; V99-Y137 VanDerWaalsContact CA-O 3.26Å; V99-Y137 WeakPolarHBondContact CA-O 3.21Å; V99-I139 HydrophobicContact CG2-CD1 4Å; V99-I139 HydrophobicContact CG2-CG1 4.01Å; V99-L232 HydrophobicContact CG2-CD2 4.03Å; V99-F371 HydrophobicContact CG1-CZ 3.96Å; V99-T407 HydrophobicContact CG1-CG2 3.89Å
100	I	97.1	Very high	95	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.005	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	132.6	169.3	-65.7	-178.8	0	0	0	108.9	I69 C71 L83 F89 L92 I97 L102 V136 Y137 I138 I139	I69-I100 HydrophobicContact CG1-CG1 4.25Å; I69-I100 WeakPolarHBondContact O-CA 3.32Å; C71-I100 HydrophobicContact CB-CG2 3.55Å; C71-I100 WeakPolarHBondContact SG-CG2 3.49Å; L83-I100 HydrophobicContact CD2-CD1 4.39Å; F89-I100 HydrophobicContact CD1-CD1 4.19Å; F89-I100 HydrophobicContact CE1-CD1 3.55Å; F89-I100 HydrophobicContact CZ-CD1 4.48Å; L92-I100 HydrophobicContact CD1-CD1 3.7Å; I97-I100 HydrophobicContact CG2-CG1 4.49Å; I100-L102 HydrophobicContact CG2-CB 4.22Å; I100-V136 HydrophobicContact CD1-CG1 4.26Å; I100-V136 HydrophobicContact CG1-CG1 3.96Å; I100-Y137 PolarHBondContact N-O 2.83Å; I100-I138 HydrophobicContact CB-CD1 3.95Å; I100-I138 HydrophobicContact CG2-CD1 4.49Å; I100-I138 CarbonylContact O-C 3.53Å; I100-I138 WeakPolarHBondContact O-CA 3.33Å; I100-I139 PolarHBondContact O-N 3.49Å
101	R	98	Very high	95.4	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	103	164.1	-175.9	165.6	176.6	-97.6	11.8	108.4	I69 N70 C71 I139 D141 D235 N238 E284 E374 T407	I69-R101 PolarHBondContact O-N 2.73Å; N70-R101 CarbonylContact C-O 3.5Å; N70-R101 WeakPolarHBondContact CA-O 3.49Å; N70-R101 WeakPolarHBondContact OD1-CB 3.25Å; N70-R101 VanDerWaalsContact OD1-CD 3.27Å; N70-R101 WeakPolarHBondContact OD1-CD 3.36Å; N70-R101 WeakPolarHBondContact OD1-CG 3.16Å; N70-R101 PolarHBondContact OD1-NH1 3.14Å; C71-R101 PolarHBondContact N-O 2.98Å; R101-I139 CarbonylContact C-O 3.58Å; R101-I139 WeakPolarHBondContact CA-O 2.96Å; R101-I139 HydrophobicContact CB-CB 4.39Å; R101-I139 HydrophobicContact CG-CB 4.39Å; R101-I139 HydrophobicContact CG-CG2 4.34Å; R101-D141 HydrophobicContact CG-CB 3.91Å; R101-D141 VanDerWaalsContact CZ-CG 3.45Å; R101-D141 IonicContact CZ-OD1 2.71Å; R101-D141 IonicContact CZ-OD2 3.4Å; R101-D141 IonicContact NE-OD2 3.14Å; R101-D141 IonicContact NH1-OD2 3.54Å; R101-D141 PolarHBondContact NH1-OD2 3.47Å; R101-D141 IonicContact NH2-OD1 2.8Å; R101-D141 PolarHBondContact NH2-OD1 3.13Å; R101-D141 IonicContact NH2-OD2 2.67Å; R101-D235 IonicContact CZ-OD2 3.03Å; R101-D235 VanDerWaalsContact CZ-OD2 3.27Å; R101-D235 IonicContact NE-OD2 2.62Å; R101-D235 PolarHBondContact NE-OD2 2.8Å; R101-D235 IonicContact NH2-OD2 2.76Å; R101-D235 PolarHBondContact NH2-OD2 2.85Å; R101-N238 PolarHBondContact NH1-OD1 2.97Å; R101-N238 PolarHBondContact NH2-OD1 3.09Å; R101-E284 IonicContact NH2-OE1 2.63Å; R101-E284 PolarHBondContact NH2-OE1 2.89Å; R101-E284 VanDerWaalsContact NH2-OE1 3.14Å; R101-E374 IonicContact CZ-OE1 3.13Å; R101-E374 IonicContact NH1-OE1 3.87Å; R101-E374 PolarHBondContact NH1-OE1 2.86Å; R101-T407 HydrophobicContact CB-CG2 4.14Å
102	L	97.8	Very high	95.8	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.01	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	119.8	-169.6	179.9	67.8	0	0	0	109.9	C71 L83 I100 F104 I124 I127 I128 I138 I139 D141	C71-L102 HydrophobicContact CB-CD1 4.18Å; L83-L102 HydrophobicContact CD1-CD1 4.09Å; I100-L102 HydrophobicContact CG2-CB 4.22Å; L102-F104 PolarHBondContact O-N 3.49Å; L102-I124 HydrophobicContact CD2-CG2 4.21Å; L102-I127 HydrophobicContact CD1-CG2 4.28Å; L102-I127 HydrophobicContact CD2-CG2 3.86Å; L102-I128 HydrophobicContact CD2-CG1 4.39Å; L102-I138 HydrophobicContact CB-CG2 3.83Å; L102-I138 HydrophobicContact CD2-CG2 4.06Å; L102-I139 PolarHBondContact N-O 2.76Å; L102-D141 PolarHBondContact O-N 3.05Å
103	G	97.1	Very high	96.1	Very high	7 Å²	7	20.7 Å²	20.7	7%	0.072	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	126.9	174.3	0	0	0	0	0	111.3	C71	C71-G103 PolarHBondContact O-N 2.64Å; C71-G103 VanDerWaalsContact O-N 3.15Å
104	F	98.2	Very high	96.5	Very high	2 Å²	2	26 Å²	26	1%	0.009	14%	0.139	C	C	.	.			trans	-111.2	95	173.3	-176.4	-142.6	0	0	0	109.9	L102 W106 L109 Y120 I121 I124 I140 D141 Y217 T221 F225	L102-F104 PolarHBondContact O-N 3.49Å; F104-W106 PolarHBondContact O-N 2.85Å; F104-L109 HydrophobicContact CE1-CD1 4.35Å; F104-L109 HydrophobicContact CE1-CD2 3.91Å; F104-L109 HydrophobicContact CE2-CD1 4.28Å; F104-L109 HydrophobicContact CZ-CB 4.49Å; F104-L109 HydrophobicContact CZ-CD1 3.63Å; F104-L109 HydrophobicContact CZ-CD2 4Å; F104-L109 HydrophobicContact CZ-CG 4.25Å; F104-Y120 HydrophobicContact CD2-CD1 4.25Å; F104-Y120 AromaticContact CD2-CE1 3.41Å; F104-Y120 HydrophobicContact CD2-CE1 3.41Å; F104-Y120 VanDerWaalsContact CD2-CE1 3.41Å; F104-Y120 AromaticContact CD2-CZ 4Å; F104-Y120 AromaticContact CE2-CD1 3.71Å; F104-Y120 HydrophobicContact CE2-CD1 3.71Å; F104-Y120 AromaticContact CE2-CE1 3.34Å; F104-Y120 HydrophobicContact CE2-CE1 3.34Å; F104-I121 HydrophobicContact CZ-CG1 4.25Å; F104-I124 HydrophobicContact CD2-CB 4.4Å; F104-I124 HydrophobicContact CD2-CD1 4.46Å; F104-I124 HydrophobicContact CD2-CG1 3.84Å; F104-I124 HydrophobicContact CD2-CG2 4.14Å; F104-I124 HydrophobicContact CE2-CB 4.3Å; F104-I124 HydrophobicContact CE2-CG1 3.93Å; F104-I124 HydrophobicContact CE2-CG2 4.34Å; F104-I140 HydrophobicContact CB-CG2 3.59Å; F104-I140 HydrophobicContact CD1-CG2 4.05Å; F104-I140 HydrophobicContact CG-CG2 4.19Å; F104-D141 PolarHBondContact N-O 3.44Å; F104-Y217 WeakPolarHBondContact CB-OH 3.44Å; F104-Y217 HydrophobicContact CD1-CE2 4.18Å; F104-Y217 AromaticContact CD1-CZ 3.79Å; F104-Y217 WeakPolarHBondContact CD1-OH 3.01Å; F104-Y217 PolarHBondContact O-OH 2.87Å; F104-T221 HydrophobicContact CD1-CG2 4.13Å; F104-T221 HydrophobicContact CE1-CG2 4.2Å; F104-T221 VanDerWaalsContact CE1-OG1 3.28Å; F104-T221 WeakPolarHBondContact CE1-OG1 3.33Å; F104-F225 HydrophobicContact CD1-CE2 4.34Å; F104-F225 AromaticContact CE1-CE2 3.82Å; F104-F225 HydrophobicContact CE1-CE2 3.82Å; F104-F225 HydrophobicContact CE2-CE2 4.36Å; F104-F225 AromaticContact CZ-CE2 3.81Å; F104-F225 HydrophobicContact CZ-CE2 3.81Å; F104-F225 HydrophobicContact CZ-CZ 4.26Å
105	S	98	Very high	96.9	Very high	20 Å²	20	28.5 Å²	28.5	14%	0.14	15%	0.15	C	C	.	.			trans	-64.9	122.6	-169	174.6	0	0	0	0	112.2	I107 A108 L109 Y120	S105-I107 VanDerWaalsContact C-N 3.27Å; S105-I107 PolarHBondContact O-N 3.49Å; S105-I107 PolarHBondContact OG-N 2.63Å; S105-A108 PolarHBondContact O-N 2.85Å; S105-A108 PolarHBondContact OG-N 3.11Å; S105-L109 WeakPolarHBondContact O-CB 3.37Å; S105-L109 PolarHBondContact O-N 2.69Å; S105-Y120 WeakPolarHBondContact CB-OH 3.15Å; S105-Y120 PolarHBondContact N-OH 2.79Å
106	W	98.4	Very high	97.3	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.008	16%	0.163	C	C	.	.	H	α-helix	trans	-64.6	-34.2	174.5	-164.3	-9.2	0	0	0	111.6	F104 L109 K110 L142 V157 P158 F161 Y213 F214 Y217	F104-W106 PolarHBondContact O-N 2.85Å; W106-L109 PolarHBondContact O-N 2.82Å; W106-K110 PolarHBondContact O-N 3.28Å; W106-L142 HydrophobicContact CB-CD1 4.17Å; W106-L142 HydrophobicContact CE3-CD1 4.08Å; W106-L142 HydrophobicContact CE3-CD2 4.23Å; W106-L142 HydrophobicContact CZ3-CD2 4.39Å; W106-V157 HydrophobicContact CD2-CG1 4.4Å; W106-V157 HydrophobicContact CE3-CB 4.23Å; W106-V157 HydrophobicContact CE3-CG1 3.56Å; W106-V157 HydrophobicContact CZ3-CG1 3.85Å; W106-P158 HydrophobicContact CG-CG 4.18Å; W106-F161 AromaticContact CH2-CD2 3.92Å; W106-F161 HydrophobicContact CH2-CD2 3.92Å; W106-F161 AromaticContact CH2-CE2 3.81Å; W106-F161 HydrophobicContact CH2-CE2 3.81Å; W106-F161 HydrophobicContact CH2-CG 4.45Å; W106-F161 HydrophobicContact CH2-CZ 4.27Å; W106-F161 HydrophobicContact CZ2-CD2 4.11Å; W106-F161 HydrophobicContact CZ2-CE2 4.42Å; W106-Y213 WeakPolarHBondContact CZ2-O 3.48Å; W106-F214 HydrophobicContact CH2-CB 4.39Å; W106-F214 AromaticContact CH2-CD1 3.98Å; W106-F214 HydrophobicContact CH2-CD1 3.98Å; W106-F214 AromaticContact CH2-CD2 3.79Å; W106-F214 HydrophobicContact CH2-CD2 3.79Å; W106-F214 HydrophobicContact CH2-CE1 4.22Å; W106-F214 HydrophobicContact CH2-CE2 4.03Å; W106-F214 AromaticContact CH2-CG 3.76Å; W106-F214 HydrophobicContact CH2-CG 3.76Å; W106-F214 HydrophobicContact CH2-CZ 4.24Å; W106-F214 AromaticContact CZ3-CD1 3.68Å; W106-F214 HydrophobicContact CZ3-CD1 3.68Å; W106-F214 HydrophobicContact CZ3-CD2 4.11Å; W106-F214 AromaticContact CZ3-CE1 3.57Å; W106-F214 HydrophobicContact CZ3-CE1 3.57Å; W106-F214 AromaticContact CZ3-CE2 4Å; W106-F214 HydrophobicContact CZ3-CE2 4Å; W106-F214 AromaticContact CZ3-CG 3.96Å; W106-F214 HydrophobicContact CZ3-CG 3.96Å; W106-F214 AromaticContact CZ3-CZ 3.73Å; W106-F214 HydrophobicContact CZ3-CZ 3.73Å; W106-Y217 HydrophobicContact CB-CD2 3.93Å; W106-Y217 HydrophobicContact CB-CE2 3.91Å; W106-Y217 AromaticContact CD1-CD2 3.75Å; W106-Y217 AromaticContact CD2-CD2 3.96Å; W106-Y217 HydrophobicContact CD2-CD2 3.96Å; W106-Y217 HydrophobicContact CD2-CG 4.44Å; W106-Y217 AromaticContact CG-CD2 3.63Å; W106-Y217 HydrophobicContact CG-CD2 3.63Å; W106-Y217 HydrophobicContact CG-CE2 4.14Å
107	I	97.7	Very high	97.6	Very high	34 Å²	34	31.5 Å²	31.5	17%	0.174	17%	0.17	C	C	.	.	H	α-helix	trans	-64.9	-44.8	178.4	-62.7	163.6	0	0	0	111.4	F78 S105 K110 P111 D155 P158	F78-I107 HydrophobicContact CE2-CG2 4.47Å; F78-I107 HydrophobicContact CZ-CG2 4.16Å; S105-I107 VanDerWaalsContact C-N 3.27Å; S105-I107 PolarHBondContact O-N 3.49Å; S105-I107 PolarHBondContact OG-N 2.63Å; I107-K110 CarbonylContact O-C 3.58Å; I107-P111 WeakPolarHBondContact O-CA 3.29Å; I107-P111 VanDerWaalsContact O-N 3.15Å; I107-D155 HydrophobicContact CD1-CB 3.34Å; I107-D155 WeakPolarHBondContact CD1-O 3.39Å; I107-P158 HydrophobicContact CG1-CG 4.45Å
108	A	97.9	Very high	97.8	Very high	13 Å²	13	36.2 Å²	36.2	11%	0.107	20%	0.195	C	C	.	.	H	α-helix	trans	-71.1	-35.5	177.7	0	0	0	0	0	111.9	F78 S105 S117 Y120	F78-A108 HydrophobicContact CB-CB 3.8Å; F78-A108 HydrophobicContact CD2-CB 3.72Å; F78-A108 HydrophobicContact CG-CB 3.95Å; S105-A108 PolarHBondContact O-N 2.85Å; S105-A108 PolarHBondContact OG-N 3.11Å; A108-S117 WeakPolarHBondContact O-CB 3.4Å; A108-Y120 HydrophobicContact CB-CD1 3.6Å; A108-Y120 HydrophobicContact CB-CD2 3.67Å; A108-Y120 HydrophobicContact CB-CE1 3.56Å; A108-Y120 HydrophobicContact CB-CE2 3.65Å; A108-Y120 HydrophobicContact CB-CG 3.66Å
109	L	98.6	Very high	97.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.9	-45.3	175.5	-179	60.8	0	0	0	112.2	F104 S105 W106 T116 S117 Y120 I121 Y217 I220	F104-L109 HydrophobicContact CE1-CD1 4.35Å; F104-L109 HydrophobicContact CE1-CD2 3.91Å; F104-L109 HydrophobicContact CE2-CD1 4.28Å; F104-L109 HydrophobicContact CZ-CB 4.49Å; F104-L109 HydrophobicContact CZ-CD1 3.63Å; F104-L109 HydrophobicContact CZ-CD2 4Å; F104-L109 HydrophobicContact CZ-CG 4.25Å; S105-L109 WeakPolarHBondContact O-CB 3.37Å; S105-L109 PolarHBondContact O-N 2.69Å; W106-L109 PolarHBondContact O-N 2.82Å; L109-T116 HydrophobicContact CD1-CG2 4.2Å; L109-T116 WeakPolarHBondContact O-CA 3.44Å; L109-S117 PolarHBondContact O-N 3.08Å; L109-Y120 HydrophobicContact CB-CD1 4.32Å; L109-I121 HydrophobicContact CD1-CD1 3.6Å; L109-I121 HydrophobicContact CD1-CG1 3.49Å; L109-I121 VanDerWaalsContact CD1-CG1 3.49Å; L109-Y217 HydrophobicContact CD2-CD2 3.49Å; L109-Y217 VanDerWaalsContact CD2-CD2 3.49Å; L109-Y217 HydrophobicContact CD2-CE2 3.8Å; L109-Y217 HydrophobicContact CD2-CG 4.26Å; L109-I220 HydrophobicContact CD1-CG2 3.89Å; L109-I220 HydrophobicContact CD2-CD1 4.48Å; L109-I220 HydrophobicContact CD2-CG2 4.42Å
110	K	98	Very high	97.9	Very high	3 Å²	3	43.3 Å²	43.3	1%	0.013	23%	0.228	C	C	.	.			trans	-131.8	73.3	-173.8	-74.4	-119.1	172.5	-178.7	0	111.7	W106 I107 H112 E113 E115 T116 P158 W160 E216	W106-K110 PolarHBondContact O-N 3.28Å; I107-K110 CarbonylContact O-C 3.58Å; K110-H112 PolarHBondContact O-N 3.15Å; K110-E113 PolarHBondContact NZ-O 3.35Å; K110-E115 WeakPolarHBondContact CD-O 3.34Å; K110-T116 WeakPolarHBondContact CE-OG1 3.4Å; K110-P158 HydrophobicContact CB-CG 4.41Å; K110-P158 VanDerWaalsContact O-CG 3.25Å; K110-P158 WeakPolarHBondContact O-CG 3.21Å; K110-W160 HydrophobicContact CB-CZ2 3.87Å; K110-W160 HydrophobicContact CD-CZ2 4.15Å; K110-W160 PolarHBondContact O-NE1 3.08Å; K110-E216 IonicContact NZ-OE1 3.32Å; K110-E216 PolarHBondContact NZ-OE1 2.55Å; K110-E216 IonicContact NZ-OE2 2.9Å; K110-E216 PolarHBondContact NZ-OE2 3.36Å
111	P	97.2	Very high	98	Very high	51 Å²	51	43.5 Å²	43.5	33%	0.331	23%	0.228	S	C	.	.	S	Bend	trans	-58	-35.5	177.8	-23	33.8	0	0	0	112.3	I107	I107-P111 WeakPolarHBondContact O-CA 3.29Å; I107-P111 VanDerWaalsContact O-N 3.15Å
112	H	97.7	Very high	98	Very high	122 Å²	122	47.3 Å²	47.3	57%	0.565	25%	0.249	S	C	*	.	S	Bend	trans	-128.2	154.6	173.9	-61.3	-65	0	0	0	110.6	K110 N114 E115 W160	K110-H112 PolarHBondContact O-N 3.15Å; H112-N114 VanDerWaalsContact C-N 3.32Å; H112-N114 PolarHBondContact O-N 3.25Å; H112-E115 HydrophobicContact CB-CB 3.94Å; H112-E115 IonicContact CD2-OE2 3.21Å; H112-E115 PolarHBondContact CD2-OE2 3.13Å; H112-E115 VanDerWaalsContact CD2-OE2 3.32Å; H112-E115 PolarHBondContact O-N 2.91Å; H112-E115 VanDerWaalsContact O-O 3.11Å; H112-W160 VanDerWaalsContact C-NE1 3.32Å
113	E	97.1	Very high	98	Very high	61 Å²	61	48.6 Å²	48.6	29%	0.285	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-46.6	-174.6	-177.5	173.8	-171.6	0	0	112.7	K110 E115 W160 K164	K110-E113 PolarHBondContact NZ-O 3.35Å; E113-E115 VanDerWaalsContact C-N 3.33Å; E113-W160 HydrophobicContact CB-CD2 3.74Å; E113-W160 HydrophobicContact CB-CE3 3.79Å; E113-W160 HydrophobicContact CB-CG 4.08Å; E113-W160 HydrophobicContact CB-CZ3 4.37Å; E113-W160 HydrophobicContact CG-CD2 4.36Å; E113-W160 HydrophobicContact CG-CE3 3.9Å; E113-W160 HydrophobicContact CG-CZ3 4.12Å; E113-K164 WeakPolarHBondContact OE1-CE 3.35Å; E113-K164 IonicContact OE1-NZ 2.88Å; E113-K164 PolarHBondContact OE1-NZ 2.97Å; E113-K164 WeakPolarHBondContact OE2-CE 3.49Å; E113-K164 IonicContact OE2-NZ 2.81Å; E113-K164 PolarHBondContact OE2-NZ 3.47Å
114	N	97	Very high	98.1	Very high	161 Å²	161	48.3 Å²	48.3	86%	0.861	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	11.6	-178.3	-62.4	-35.7	0	0	0	113.4	H112	H112-N114 VanDerWaalsContact C-N 3.32Å; H112-N114 PolarHBondContact O-N 3.25Å
115	E	97.7	Very high	98.2	Very high	89 Å²	89	50.3 Å²	50.3	42%	0.416	26%	0.262	S	S	.	.			trans	-115.9	139.6	-180	-170.6	176.2	147.5	0	0	110.5	K110 H112 E113	K110-E115 WeakPolarHBondContact CD-O 3.34Å; H112-E115 HydrophobicContact CB-CB 3.94Å; H112-E115 IonicContact CD2-OE2 3.21Å; H112-E115 PolarHBondContact CD2-OE2 3.13Å; H112-E115 VanDerWaalsContact CD2-OE2 3.32Å; H112-E115 PolarHBondContact O-N 2.91Å; H112-E115 VanDerWaalsContact O-O 3.11Å; E113-E115 VanDerWaalsContact C-N 3.33Å
116	T	98.5	Very high	98.2	Very high	52 Å²	52	54.3 Å²	54.3	32%	0.319	28%	0.276	S	S	.	.			trans	-126.1	119.2	170.1	-59.6	0	0	0	0	107.8	L109 K110 L118 I121 I220	L109-T116 HydrophobicContact CD1-CG2 4.2Å; L109-T116 WeakPolarHBondContact O-CA 3.44Å; K110-T116 WeakPolarHBondContact CE-OG1 3.4Å; T116-L118 PolarHBondContact O-N 2.81Å; T116-I121 HydrophobicContact CG2-CD1 3.66Å; T116-I220 HydrophobicContact CG2-CD1 3.99Å; T116-I220 HydrophobicContact CG2-CG2 4.17Å
117	S	98.5	Very high	98.2	Very high	25 Å²	25	54.2 Å²	54.2	18%	0.175	28%	0.276	C	S	.	.			trans	-75.2	94.1	-179.3	-178.3	0	0	0	0	110.5	A108 L109 E119 Y120 I121	A108-S117 WeakPolarHBondContact O-CB 3.4Å; L109-S117 PolarHBondContact O-N 3.08Å; S117-E119 PolarHBondContact O-N 3.41Å; S117-Y120 PolarHBondContact O-N 3.13Å; S117-Y120 WeakPolarHBondContact OG-CB 3.44Å; S117-Y120 PolarHBondContact OG-N 3.19Å; S117-I121 WeakPolarHBondContact O-CG1 3.08Å; S117-I121 PolarHBondContact O-N 2.89Å; S117-I121 VanDerWaalsContact O-N 3.16Å
118	L	98.3	Very high	98.2	Very high	108 Å²	108	52.6 Å²	52.6	57%	0.565	27%	0.268	S	S	*	.	H	α-helix	trans	-62.6	-34.6	175	-63.2	-179.3	0	0	0	111.7	T116 I121 D122	T116-L118 PolarHBondContact O-N 2.81Å; L118-I121 HydrophobicContact CD2-CD1 4.25Å; L118-I121 PolarHBondContact O-N 2.81Å; L118-D122 PolarHBondContact O-N 2.72Å
119	E	98.4	Very high	98.3	Very high	146 Å²	146	55 Å²	55	68%	0.682	28%	0.279	S	S	*	.	H	α-helix	trans	-60.5	-45.9	176	-177.7	179.5	-178.1	0	0	111.6	S117 I121 D122 I123	S117-E119 PolarHBondContact O-N 3.41Å; E119-I121 VanDerWaalsContact C-N 3.35Å; E119-I121 PolarHBondContact O-N 3.45Å; E119-D122 PolarHBondContact O-N 2.79Å; E119-I123 HydrophobicContact CG-CD1 4.27Å; E119-I123 WeakPolarHBondContact O-CG1 3.44Å; E119-I123 PolarHBondContact O-N 2.78Å
120	Y	98.6	Very high	98.2	Very high	11 Å²	11	55 Å²	55	4%	0.043	28%	0.279	C	S	.	.	H	α-helix	trans	-64.1	-41.4	176.6	-179.5	-115.7	0	0	0	111.7	F78 Y79 F104 S105 A108 L109 S117 D122 I123 I124	F78-Y120 HydrophobicContact CB-CE2 4.1Å; F78-Y120 PolarHBondContact O-OH 2.86Å; Y79-Y120 HydrophobicContact CD1-CD2 4.42Å; Y79-Y120 HydrophobicContact CD1-CE2 4.16Å; F104-Y120 HydrophobicContact CD2-CD1 4.25Å; F104-Y120 AromaticContact CD2-CE1 3.41Å; F104-Y120 HydrophobicContact CD2-CE1 3.41Å; F104-Y120 VanDerWaalsContact CD2-CE1 3.41Å; F104-Y120 AromaticContact CD2-CZ 4Å; F104-Y120 AromaticContact CE2-CD1 3.71Å; F104-Y120 HydrophobicContact CE2-CD1 3.71Å; F104-Y120 AromaticContact CE2-CE1 3.34Å; F104-Y120 HydrophobicContact CE2-CE1 3.34Å; S105-Y120 WeakPolarHBondContact CB-OH 3.15Å; S105-Y120 PolarHBondContact N-OH 2.79Å; A108-Y120 HydrophobicContact CB-CD1 3.6Å; A108-Y120 HydrophobicContact CB-CD2 3.67Å; A108-Y120 HydrophobicContact CB-CE1 3.56Å; A108-Y120 HydrophobicContact CB-CE2 3.65Å; A108-Y120 HydrophobicContact CB-CG 3.66Å; L109-Y120 HydrophobicContact CB-CD1 4.32Å; S117-Y120 PolarHBondContact O-N 3.13Å; S117-Y120 WeakPolarHBondContact OG-CB 3.44Å; S117-Y120 PolarHBondContact OG-N 3.19Å; Y120-D122 VanDerWaalsContact C-N 3.34Å; Y120-D122 PolarHBondContact O-N 2.93Å; Y120-I123 PolarHBondContact O-N 3.16Å; Y120-I124 HydrophobicContact CD1-CG1 4.46Å; Y120-I124 HydrophobicContact CD2-CG1 4.37Å; Y120-I124 HydrophobicContact CE1-CG1 4.08Å; Y120-I124 HydrophobicContact CE2-CD1 3.97Å; Y120-I124 HydrophobicContact CE2-CG1 3.97Å; Y120-I124 WeakPolarHBondContact O-CG1 3.41Å; Y120-I124 PolarHBondContact O-N 3.4Å
121	I	98.8	Very high	98.2	Very high	4 Å²	4	54.9 Å²	54.9	2%	0.021	28%	0.278	C	S	.	.	H	α-helix	trans	-60	-44.5	176	-65.5	168.1	0	0	0	111	F104 L109 T116 S117 L118 E119 I123 I124 E125 I220 R224 F225	F104-I121 HydrophobicContact CZ-CG1 4.25Å; L109-I121 HydrophobicContact CD1-CD1 3.6Å; L109-I121 HydrophobicContact CD1-CG1 3.49Å; L109-I121 VanDerWaalsContact CD1-CG1 3.49Å; T116-I121 HydrophobicContact CG2-CD1 3.66Å; S117-I121 WeakPolarHBondContact O-CG1 3.08Å; S117-I121 PolarHBondContact O-N 2.89Å; S117-I121 VanDerWaalsContact O-N 3.16Å; L118-I121 HydrophobicContact CD2-CD1 4.25Å; L118-I121 PolarHBondContact O-N 2.81Å; E119-I121 VanDerWaalsContact C-N 3.35Å; E119-I121 PolarHBondContact O-N 3.45Å; I121-I123 VanDerWaalsContact C-N 3.32Å; I121-I123 PolarHBondContact O-N 3.06Å; I121-I124 PolarHBondContact O-N 2.83Å; I121-E125 WeakPolarHBondContact O-CB 3.4Å; I121-E125 PolarHBondContact O-N 2.83Å; I121-I220 HydrophobicContact CD1-CG2 3.6Å; I121-R224 HydrophobicContact CG2-CB 4.1Å; I121-R224 HydrophobicContact CG2-CG 3.53Å; I121-F225 HydrophobicContact CG2-CE1 4.32Å; I121-F225 HydrophobicContact CG2-CZ 3.99Å
122	D	98.8	Very high	98.1	Very high	80 Å²	80	52.7 Å²	52.7	43%	0.428	27%	0.265	S	S	.	.	H	α-helix	trans	-63.9	-36.8	179.6	-67.9	-10.4	0	0	0	111.7	L118 E119 Y120 E125 K126 R224	L118-D122 PolarHBondContact O-N 2.72Å; E119-D122 PolarHBondContact O-N 2.79Å; Y120-D122 VanDerWaalsContact C-N 3.34Å; Y120-D122 PolarHBondContact O-N 2.93Å; D122-E125 PolarHBondContact O-N 2.81Å; D122-K126 WeakPolarHBondContact O-CB 3.41Å; D122-K126 PolarHBondContact O-N 3.46Å; D122-R224 IonicContact OD1-CZ 3.36Å; D122-R224 IonicContact OD1-NH1 3.93Å; D122-R224 PolarHBondContact OD1-NH1 2.86Å; D122-R224 IonicContact OD1-NH2 3.51Å; D122-R224 PolarHBondContact OD1-NH2 2.85Å
123	I	98.7	Very high	98	Very high	30 Å²	30	52.9 Å²	52.9	15%	0.154	27%	0.27	C	S	.	.	H	α-helix	trans	-63.9	-47	174.3	-71.7	167.4	0	0	0	111	Y79 L84 E119 Y120 I121 E125 K126 I127	Y79-I123 HydrophobicContact CD1-CG2 3.65Å; Y79-I123 HydrophobicContact CD2-CG2 3.83Å; Y79-I123 HydrophobicContact CE1-CD1 3.87Å; Y79-I123 HydrophobicContact CE1-CG2 3.64Å; Y79-I123 HydrophobicContact CE2-CG2 3.82Å; Y79-I123 HydrophobicContact CG-CG2 3.76Å; L84-I123 HydrophobicContact CD2-CG2 4.17Å; E119-I123 HydrophobicContact CG-CD1 4.27Å; E119-I123 WeakPolarHBondContact O-CG1 3.44Å; E119-I123 PolarHBondContact O-N 2.78Å; Y120-I123 PolarHBondContact O-N 3.16Å; I121-I123 VanDerWaalsContact C-N 3.32Å; I121-I123 PolarHBondContact O-N 3.06Å; I123-E125 VanDerWaalsContact C-N 3.34Å; I123-K126 WeakPolarHBondContact O-CB 3.3Å; I123-K126 PolarHBondContact O-N 2.94Å; I123-I127 HydrophobicContact CG2-CD1 4.4Å; I123-I127 WeakPolarHBondContact O-CG1 3.38Å; I123-I127 PolarHBondContact O-N 3.23Å
124	I	98.8	Very high	97.8	Very high	1 Å²	1	53 Å²	53	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-65.9	-39.7	178.4	-63.6	-63.5	0	0	0	110.6	L102 F104 Y120 I121 K126 I127 I128 F225	L102-I124 HydrophobicContact CD2-CG2 4.21Å; F104-I124 HydrophobicContact CD2-CB 4.4Å; F104-I124 HydrophobicContact CD2-CD1 4.46Å; F104-I124 HydrophobicContact CD2-CG1 3.84Å; F104-I124 HydrophobicContact CD2-CG2 4.14Å; F104-I124 HydrophobicContact CE2-CB 4.3Å; F104-I124 HydrophobicContact CE2-CG1 3.93Å; F104-I124 HydrophobicContact CE2-CG2 4.34Å; Y120-I124 HydrophobicContact CD1-CG1 4.46Å; Y120-I124 HydrophobicContact CD2-CG1 4.37Å; Y120-I124 HydrophobicContact CE1-CG1 4.08Å; Y120-I124 HydrophobicContact CE2-CD1 3.97Å; Y120-I124 HydrophobicContact CE2-CG1 3.97Å; Y120-I124 WeakPolarHBondContact O-CG1 3.41Å; Y120-I124 PolarHBondContact O-N 3.4Å; I121-I124 PolarHBondContact O-N 2.83Å; I124-K126 VanDerWaalsContact C-N 3.29Å; I124-K126 PolarHBondContact O-N 3.39Å; I124-I127 HydrophobicContact CD1-CD1 4.37Å; I124-I127 WeakPolarHBondContact O-CB 3.39Å; I124-I127 PolarHBondContact O-N 3.39Å; I124-I128 HydrophobicContact CG2-CD1 3.96Å; I124-I128 WeakPolarHBondContact O-CG1 3.47Å; I124-I128 PolarHBondContact O-N 2.92Å; I124-F225 HydrophobicContact CB-CZ 4.1Å; I124-F225 HydrophobicContact CG2-CE1 4.32Å; I124-F225 HydrophobicContact CG2-CE2 4.14Å; I124-F225 HydrophobicContact CG2-CZ 3.7Å
125	E	98.8	Very high	97.6	Very high	44 Å²	44	47.3 Å²	47.3	21%	0.206	25%	0.248	C	C	.	.	H	α-helix	trans	-58.2	-43.7	173	-167.4	169.7	-166.7	0	0	111.4	I121 D122 I123 I127 I128 D129 R224 F225 K228	I121-E125 WeakPolarHBondContact O-CB 3.4Å; I121-E125 PolarHBondContact O-N 2.83Å; D122-E125 PolarHBondContact O-N 2.81Å; I123-E125 VanDerWaalsContact C-N 3.34Å; E125-I127 VanDerWaalsContact C-N 3.31Å; E125-I127 PolarHBondContact O-N 2.89Å; E125-I128 PolarHBondContact O-N 3.39Å; E125-D129 WeakPolarHBondContact O-CB 3.49Å; E125-D129 PolarHBondContact O-N 3.43Å; E125-R224 IonicContact OE2-CZ 3.32Å; E125-R224 IonicContact OE2-NH1 2.71Å; E125-R224 PolarHBondContact OE2-NH1 3.32Å; E125-F225 HydrophobicContact CB-CE1 3.89Å; E125-F225 HydrophobicContact CG-CE1 4.38Å; E125-K228 WeakPolarHBondContact OE1-CE 3.44Å; E125-K228 IonicContact OE1-NZ 3.96Å; E125-K228 PolarHBondContact OE1-NZ 2.8Å
126	K	98.7	Very high	97.5	Very high	103 Å²	103	43.1 Å²	43.1	45%	0.448	23%	0.228	S	C	.	.	H	α-helix	trans	-61.9	-39.4	177.8	-176.3	58.6	177.2	168.4	0	112.3	L84 D122 I123 I124 D129 N130	L84-K126 HydrophobicContact CD2-CB 4.09Å; L84-K126 HydrophobicContact CD2-CG 3.87Å; D122-K126 WeakPolarHBondContact O-CB 3.41Å; D122-K126 PolarHBondContact O-N 3.46Å; I123-K126 WeakPolarHBondContact O-CB 3.3Å; I123-K126 PolarHBondContact O-N 2.94Å; I124-K126 VanDerWaalsContact C-N 3.29Å; I124-K126 PolarHBondContact O-N 3.39Å; K126-D129 PolarHBondContact O-N 2.97Å; K126-N130 WeakPolarHBondContact CE-OD1 3.18Å; K126-N130 PolarHBondContact NZ-OD1 2.92Å; K126-N130 WeakPolarHBondContact O-CB 3.37Å; K126-N130 PolarHBondContact O-N 2.96Å; K126-N130 PolarHBondContact O-ND2 2.65Å; K126-N130 PolarHBondContact O-OD1 2.84Å
127	I	98.4	Very high	97.5	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-62.9	-47.4	174.1	-71.1	171.8	0	0	0	110.6	Y79 L83 L84 F89 L102 I123 I124 E125 D129 N130 A131	Y79-I127 HydrophobicContact CD2-CD1 4.12Å; Y79-I127 HydrophobicContact CG-CD1 4.33Å; L83-I127 HydrophobicContact CB-CB 4.47Å; L83-I127 HydrophobicContact CB-CD1 3.98Å; L83-I127 HydrophobicContact CB-CG1 3.84Å; L83-I127 HydrophobicContact CB-CG2 3.94Å; L83-I127 HydrophobicContact CD1-CG2 4.1Å; L84-I127 HydrophobicContact CD2-CG1 3.97Å; L84-I127 HydrophobicContact CG-CG1 4.47Å; F89-I127 HydrophobicContact CZ-CG2 4.14Å; L102-I127 HydrophobicContact CD1-CG2 4.28Å; L102-I127 HydrophobicContact CD2-CG2 3.86Å; I123-I127 HydrophobicContact CG2-CD1 4.4Å; I123-I127 WeakPolarHBondContact O-CG1 3.38Å; I123-I127 PolarHBondContact O-N 3.23Å; I124-I127 HydrophobicContact CD1-CD1 4.37Å; I124-I127 WeakPolarHBondContact O-CB 3.39Å; I124-I127 PolarHBondContact O-N 3.39Å; E125-I127 VanDerWaalsContact C-N 3.31Å; E125-I127 PolarHBondContact O-N 2.89Å; I127-D129 VanDerWaalsContact C-N 3.34Å; I127-D129 PolarHBondContact O-N 2.94Å; I127-N130 PolarHBondContact O-N 3.14Å; I127-A131 PolarHBondContact O-N 3.34Å
128	I	98.6	Very high	97.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60.9	-43.6	178	-66.3	165.9	0	0	0	110.7	L102 I124 E125 A131 G132 I138 I140 F225 K228 N230 V231	L102-I128 HydrophobicContact CD2-CG1 4.39Å; I124-I128 HydrophobicContact CG2-CD1 3.96Å; I124-I128 WeakPolarHBondContact O-CG1 3.47Å; I124-I128 PolarHBondContact O-N 2.92Å; E125-I128 PolarHBondContact O-N 3.39Å; I128-A131 WeakPolarHBondContact O-CB 3.44Å; I128-A131 PolarHBondContact O-N 3.03Å; I128-G132 PolarHBondContact O-N 3.47Å; I128-I138 HydrophobicContact CB-CG1 4.48Å; I128-I138 HydrophobicContact CG1-CB 4.48Å; I128-I138 HydrophobicContact CG1-CG1 4.12Å; I128-I138 HydrophobicContact CG1-CG2 4.25Å; I128-I138 HydrophobicContact CG2-CG1 4.4Å; I128-I140 HydrophobicContact CD1-CD1 4.12Å; I128-F225 HydrophobicContact CD1-CB 4.47Å; I128-F225 HydrophobicContact CD1-CD1 3.64Å; I128-F225 HydrophobicContact CD1-CD2 4.34Å; I128-F225 HydrophobicContact CD1-CE1 3.87Å; I128-F225 HydrophobicContact CD1-CG 3.91Å; I128-F225 HydrophobicContact CD1-CZ 4.32Å; I128-K228 HydrophobicContact CG2-CB 4.27Å; I128-K228 HydrophobicContact CG2-CG 4.27Å; I128-N230 PolarHBondContact O-ND2 3.43Å; I128-V231 HydrophobicContact CD1-CG2 4.36Å; I128-V231 HydrophobicContact CG2-CG2 3.89Å
129	D	98.5	Very high	97.5	Very high	63 Å²	63	35.6 Å²	35.6	34%	0.337	18%	0.183	S	C	.	.	H	α-helix	trans	-65.5	-43.5	178.8	-74.5	-17.3	0	0	0	111.8	E125 K126 I127 A131 G132 L133 K228	E125-D129 WeakPolarHBondContact O-CB 3.49Å; E125-D129 PolarHBondContact O-N 3.43Å; K126-D129 PolarHBondContact O-N 2.97Å; I127-D129 VanDerWaalsContact C-N 3.34Å; I127-D129 PolarHBondContact O-N 2.94Å; D129-A131 VanDerWaalsContact C-N 3.29Å; D129-A131 PolarHBondContact O-N 2.78Å; D129-G132 PolarHBondContact O-N 3.09Å; D129-L133 WeakPolarHBondContact O-CG 3.37Å; D129-L133 PolarHBondContact O-N 2.79Å; D129-L133 VanDerWaalsContact O-N 3.16Å; D129-K228 VanDerWaalsContact CG-NZ 3.28Å; D129-K228 WeakPolarHBondContact OD1-CE 3.26Å; D129-K228 IonicContact OD1-NZ 2.93Å; D129-K228 PolarHBondContact OD1-NZ 3.2Å; D129-K228 IonicContact OD2-NZ 2.76Å; D129-K228 PolarHBondContact OD2-NZ 2.79Å; D129-K228 VanDerWaalsContact OD2-NZ 3.13Å
130	N	98	Very high	97.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-60.5	-39.4	175.3	-73.5	-10.3	0	0	0	111.7	L83 L84 F89 K126 I127 Y134	L83-N130 PolarHBondContact O-ND2 3.49Å; L84-N130 PolarHBondContact O-ND2 2.72Å; F89-N130 HydrophobicContact CD2-CB 3.68Å; F89-N130 HydrophobicContact CE2-CB 3.46Å; F89-N130 VanDerWaalsContact CE2-CB 3.46Å; F89-N130 HydrophobicContact CZ-CB 4.44Å; K126-N130 WeakPolarHBondContact CE-OD1 3.18Å; K126-N130 PolarHBondContact NZ-OD1 2.92Å; K126-N130 WeakPolarHBondContact O-CB 3.37Å; K126-N130 PolarHBondContact O-N 2.96Å; K126-N130 PolarHBondContact O-ND2 2.65Å; K126-N130 PolarHBondContact O-OD1 2.84Å; I127-N130 PolarHBondContact O-N 3.14Å; N130-Y134 WeakPolarHBondContact O-CD2 3.21Å
131	A	97.1	Very high	97.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.2	-45	174.4	0	0	0	0	0	111.8	F89 I127 I128 D129 L133 Y134 G135 V136 I138	F89-A131 HydrophobicContact CD1-CB 3.74Å; F89-A131 HydrophobicContact CE1-CB 3.33Å; F89-A131 HydrophobicContact CE2-CB 4.45Å; F89-A131 HydrophobicContact CG-CB 4.42Å; F89-A131 HydrophobicContact CZ-CB 3.74Å; I127-A131 PolarHBondContact O-N 3.34Å; I128-A131 WeakPolarHBondContact O-CB 3.44Å; I128-A131 PolarHBondContact O-N 3.03Å; D129-A131 VanDerWaalsContact C-N 3.29Å; D129-A131 PolarHBondContact O-N 2.78Å; A131-L133 VanDerWaalsContact C-N 3.3Å; A131-L133 PolarHBondContact O-N 3.44Å; A131-Y134 PolarHBondContact O-N 3.31Å; A131-Y134 VanDerWaalsContact O-N 3.09Å; A131-G135 PolarHBondContact O-N 3.04Å; A131-V136 CarbonylContact C-O 3.6Å; A131-V136 HydrophobicContact CB-CB 4.06Å; A131-V136 HydrophobicContact CB-CG1 4.31Å; A131-V136 WeakPolarHBondContact CB-O 3.33Å; A131-V136 PolarHBondContact O-N 2.81Å; A131-I138 HydrophobicContact CB-CD1 3.76Å; A131-I138 HydrophobicContact CB-CG1 4.05Å
132	G	96.1	Very high	97.5	Very high	5 Å²	5	28.2 Å²	28.2	5%	0.052	15%	0.149	C	C	.	.	H	α-helix	trans	-58.9	-38.3	-179.9	0	0	0	0	0	113.2	I128 D129 Y134 G135 Y229 N230	I128-G132 PolarHBondContact O-N 3.47Å; D129-G132 PolarHBondContact O-N 3.09Å; G132-Y134 PolarHBondContact O-N 3.24Å; G132-G135 PolarHBondContact O-N 3.37Å; G132-Y229 WeakPolarHBondContact CA-OH 3.49Å; G132-Y229 PolarHBondContact O-OH 2.85Å; G132-N230 WeakPolarHBondContact CA-ND2 3.29Å; G132-N230 PolarHBondContact N-ND2 3.42Å; G132-N230 VanDerWaalsContact N-ND2 3.2Å
133	L	94.9	Very high	97.4	Very high	126 Å²	126	25.3 Å²	25.3	66%	0.66	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-24.9	177	-68.6	175.5	0	0	0	113.7	D129 A131	D129-L133 WeakPolarHBondContact O-CG 3.37Å; D129-L133 PolarHBondContact O-N 2.79Å; D129-L133 VanDerWaalsContact O-N 3.16Å; A131-L133 VanDerWaalsContact C-N 3.3Å; A131-L133 PolarHBondContact O-N 3.44Å
134	Y	92.9	Very high	97.2	Very high	64 Å²	64	24 Å²	24	25%	0.251	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113	11.3	-178.5	-64.8	-83.8	0	0	0	113.4	P86 F89 K90 N130 A131 G132 V136	P86-Y134 HydrophobicContact CB-CE2 3.89Å; P86-Y134 WeakPolarHBondContact O-CE2 3.47Å; F89-Y134 HydrophobicContact CB-CD2 3.5Å; F89-Y134 HydrophobicContact CB-CE2 4.24Å; F89-Y134 HydrophobicContact CB-CG 3.97Å; K90-Y134 HydrophobicContact CB-CD1 3.93Å; K90-Y134 HydrophobicContact CB-CE1 3.5Å; K90-Y134 VanDerWaalsContact CB-CE1 3.5Å; K90-Y134 HydrophobicContact CG-CD1 4.37Å; K90-Y134 HydrophobicContact CG-CE1 3.93Å; N130-Y134 WeakPolarHBondContact O-CD2 3.21Å; A131-Y134 PolarHBondContact O-N 3.31Å; A131-Y134 VanDerWaalsContact O-N 3.09Å; G132-Y134 PolarHBondContact O-N 3.24Å; Y134-V136 VanDerWaalsContact C-N 3.29Å; Y134-V136 PolarHBondContact O-N 3.05Å
135	G	92.4	Very high	96.9	Very high	42 Å²	42	25 Å²	25	43%	0.433	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	20.1	-179.5	0	0	0	0	0	113.9	A131 G132	A131-G135 PolarHBondContact O-N 3.04Å; G132-G135 PolarHBondContact O-N 3.37Å
136	V	95.7	Very high	96.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.121	C	C	.	.			trans	-89.9	123.7	177.6	-179.4	0	0	0	0	109.4	F89 N98 I100 A131 Y134 N230	F89-V136 HydrophobicContact CD1-CB 4.26Å; F89-V136 HydrophobicContact CD1-CG1 4.3Å; F89-V136 HydrophobicContact CD1-CG2 4.33Å; N98-V136 WeakPolarHBondContact O-CA 3.46Å; I100-V136 HydrophobicContact CD1-CG1 4.26Å; I100-V136 HydrophobicContact CG1-CG1 3.96Å; A131-V136 CarbonylContact C-O 3.6Å; A131-V136 HydrophobicContact CB-CB 4.06Å; A131-V136 HydrophobicContact CB-CG1 4.31Å; A131-V136 WeakPolarHBondContact CB-O 3.33Å; A131-V136 PolarHBondContact O-N 2.81Å; Y134-V136 VanDerWaalsContact C-N 3.29Å; Y134-V136 PolarHBondContact O-N 3.05Å; V136-N230 PolarHBondContact O-ND2 2.9Å
137	Y	98.3	Very high	96.5	Very high	27 Å²	27	18.1 Å²	18.1	11%	0.106	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	156.4	176.5	-75.7	-95.1	0	0	0	112	V47 F66 N98 V99 I100 N230 L232	V47-Y137 HydrophobicContact CG2-CE1 3.86Å; F66-Y137 HydrophobicContact CD1-CD2 4.35Å; F66-Y137 AromaticContact CE1-CD2 3.64Å; F66-Y137 HydrophobicContact CE1-CD2 3.64Å; F66-Y137 AromaticContact CE1-CE2 3.97Å; F66-Y137 HydrophobicContact CE1-CE2 3.97Å; F66-Y137 AromaticContact CE1-CG 3.95Å; F66-Y137 HydrophobicContact CE1-CG 3.95Å; N98-Y137 PolarHBondContact O-N 3.1Å; V99-Y137 CarbonylContact C-O 3.55Å; V99-Y137 VanDerWaalsContact CA-O 3.26Å; V99-Y137 WeakPolarHBondContact CA-O 3.21Å; I100-Y137 PolarHBondContact N-O 2.83Å; Y137-N230 CarbonylContact C-O 3.56Å; Y137-N230 WeakPolarHBondContact CA-O 3.23Å; Y137-N230 WeakPolarHBondContact CD1-O 3.23Å; Y137-L232 HydrophobicContact CD1-CB 3.99Å; Y137-L232 HydrophobicContact CD1-CD1 4.34Å; Y137-L232 HydrophobicContact CG-CB 4.42Å
138	I	98.7	Very high	96.4	Very high	1 Å²	1	18 Å²	18	1%	0.005	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	126	178	-58.4	-62.7	0	0	0	109.9	I100 L102 I128 A131 I140 N230 V231 L232	I100-I138 HydrophobicContact CB-CD1 3.95Å; I100-I138 HydrophobicContact CG2-CD1 4.49Å; I100-I138 CarbonylContact O-C 3.53Å; I100-I138 WeakPolarHBondContact O-CA 3.33Å; L102-I138 HydrophobicContact CB-CG2 3.83Å; L102-I138 HydrophobicContact CD2-CG2 4.06Å; I128-I138 HydrophobicContact CB-CG1 4.48Å; I128-I138 HydrophobicContact CG1-CB 4.48Å; I128-I138 HydrophobicContact CG1-CG1 4.12Å; I128-I138 HydrophobicContact CG1-CG2 4.25Å; I128-I138 HydrophobicContact CG2-CG1 4.4Å; A131-I138 HydrophobicContact CB-CD1 3.76Å; A131-I138 HydrophobicContact CB-CG1 4.05Å; I138-I140 HydrophobicContact CG2-CG1 3.88Å; I138-N230 PolarHBondContact N-O 2.89Å; I138-V231 CarbonylContact O-C 3.51Å; I138-V231 WeakPolarHBondContact O-CA 3.38Å; I138-L232 PolarHBondContact O-N 3.42Å
139	I	98.9	Very high	96.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	119.6	159.9	-58.5	165.5	0	0	0	105.9	V99 I100 R101 L102 L232 G233 D235 F282 F371	V99-I139 HydrophobicContact CG2-CD1 4Å; V99-I139 HydrophobicContact CG2-CG1 4.01Å; I100-I139 PolarHBondContact O-N 3.49Å; R101-I139 CarbonylContact C-O 3.58Å; R101-I139 WeakPolarHBondContact CA-O 2.96Å; R101-I139 HydrophobicContact CB-CB 4.39Å; R101-I139 HydrophobicContact CG-CB 4.39Å; R101-I139 HydrophobicContact CG-CG2 4.34Å; L102-I139 PolarHBondContact N-O 2.76Å; I139-L232 HydrophobicContact CD1-CD2 4.24Å; I139-L232 HydrophobicContact CG1-CB 4.31Å; I139-L232 HydrophobicContact CG1-CD2 4Å; I139-L232 HydrophobicContact CG1-CG 4.45Å; I139-G233 WeakPolarHBondContact CA-O 3.29Å; I139-D235 HydrophobicContact CG2-CB 4.01Å; I139-F282 HydrophobicContact CD1-CD1 4.34Å; I139-F282 HydrophobicContact CD1-CE1 3.64Å; I139-F282 HydrophobicContact CD1-CZ 3.76Å; I139-F282 HydrophobicContact CG1-CE1 4.28Å; I139-F282 HydrophobicContact CG1-CE2 4.3Å; I139-F282 HydrophobicContact CG1-CZ 3.99Å; I139-F282 HydrophobicContact CG2-CD1 4.4Å; I139-F282 HydrophobicContact CG2-CD2 4.36Å; I139-F282 HydrophobicContact CG2-CG 4.26Å; I139-F371 HydrophobicContact CD1-CD2 4.41Å; I139-F371 HydrophobicContact CD1-CE1 4.2Å; I139-F371 HydrophobicContact CD1-CE2 3.97Å; I139-F371 HydrophobicContact CD1-CZ 3.89Å
140	I	98.9	Very high	96	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	119.6	177.8	-60	-178.9	0	0	0	108.1	F104 I128 I138 T221 F225 V231 G233 Y234 D235	F104-I140 HydrophobicContact CB-CG2 3.59Å; F104-I140 HydrophobicContact CD1-CG2 4.05Å; F104-I140 HydrophobicContact CG-CG2 4.19Å; I128-I140 HydrophobicContact CD1-CD1 4.12Å; I138-I140 HydrophobicContact CG2-CG1 3.88Å; I140-T221 HydrophobicContact CD1-CG2 3.98Å; I140-T221 HydrophobicContact CG2-CG2 4Å; I140-F225 HydrophobicContact CD1-CB 4.03Å; I140-F225 HydrophobicContact CD1-CD2 3.56Å; I140-F225 HydrophobicContact CD1-CE2 4.29Å; I140-F225 HydrophobicContact CD1-CG 4.01Å; I140-V231 HydrophobicContact CD1-CG1 4.14Å; I140-V231 HydrophobicContact CD1-CG2 4.41Å; I140-V231 HydrophobicContact CG1-CG1 4.35Å; I140-G233 PolarHBondContact N-O 3.25Å; I140-Y234 HydrophobicContact CB-CD1 4.23Å; I140-Y234 HydrophobicContact CD1-CD1 4.46Å; I140-Y234 HydrophobicContact CD1-CE1 4.15Å; I140-Y234 CarbonylContact O-C 3.35Å; I140-D235 PolarHBondContact O-N 3.25Å
141	D	98.7	Very high	95.9	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	127.5	-173.6	170.3	34.7	0	0	0	112.2	R101 L102 F104 H143 D235	R101-D141 HydrophobicContact CG-CB 3.91Å; R101-D141 VanDerWaalsContact CZ-CG 3.45Å; R101-D141 IonicContact CZ-OD1 2.71Å; R101-D141 IonicContact CZ-OD2 3.4Å; R101-D141 IonicContact NE-OD2 3.14Å; R101-D141 IonicContact NH1-OD2 3.54Å; R101-D141 PolarHBondContact NH1-OD2 3.47Å; R101-D141 IonicContact NH2-OD1 2.8Å; R101-D141 PolarHBondContact NH2-OD1 3.13Å; R101-D141 IonicContact NH2-OD2 2.67Å; L102-D141 PolarHBondContact O-N 3.05Å; F104-D141 PolarHBondContact N-O 3.44Å; D141-H143 VanDerWaalsContact C-N 3.27Å; D141-H143 PolarHBondContact O-N 3.06Å; D141-H143 VanDerWaalsContact O-N 3.16Å; D141-H143 PolarHBondContact OD1-N 3.16Å; D141-H143 WeakPolarHBondContact OD2-CA 3.23Å; D141-H143 WeakPolarHBondContact OD2-CB 3.31Å; D141-H143 IonicContact OD2-CE1 3.79Å; D141-H143 IonicContact OD2-CG 3.35Å; D141-H143 IonicContact OD2-ND1 3.55Å; D141-H143 PolarHBondContact OD2-ND1 2.89Å; D141-D235 HydrophobicContact CB-CB 4.12Å
142	L	98.2	Very high	95.7	Very high	6 Å²	6	25.7 Å²	25.7	3%	0.031	14%	0.138	C	C	.	.			trans	-81.7	79.8	162.3	179.5	54.5	0	0	0	109.4	W106 F214 Y217 W218 D235 N238	W106-L142 HydrophobicContact CB-CD1 4.17Å; W106-L142 HydrophobicContact CE3-CD1 4.08Å; W106-L142 HydrophobicContact CE3-CD2 4.23Å; W106-L142 HydrophobicContact CZ3-CD2 4.39Å; L142-F214 HydrophobicContact CD2-CD1 3.78Å; L142-F214 HydrophobicContact CD2-CE1 3.66Å; L142-Y217 HydrophobicContact CB-CE1 4.16Å; L142-Y217 HydrophobicContact CD1-CE1 4.27Å; L142-Y217 HydrophobicContact CD1-CE2 3.99Å; L142-Y217 HydrophobicContact CD2-CD1 4.37Å; L142-Y217 HydrophobicContact CD2-CE1 4.26Å; L142-Y217 HydrophobicContact CG-CE1 4.46Å; L142-W218 HydrophobicContact CB-CZ2 3.9Å; L142-D235 PolarHBondContact N-O 3.28Å; L142-N238 PolarHBondContact O-N 2.8Å; L142-N238 VanDerWaalsContact O-N 3.14Å
143	H	97	Very high	95.6	Very high	18 Å²	18	26 Å²	26	8%	0.083	14%	0.141	C	C	.	.			trans	-72.7	135.4	-175.7	-154.7	82.5	0	0	0	112.7	V72 K74 D141 D145 A156 N238 E374 W409	V72-H143 HydrophobicContact CG1-CB 3.73Å; V72-H143 HydrophobicContact CG2-CB 4.34Å; K74-H143 VanDerWaalsContact CE-CD2 3.43Å; K74-H143 WeakPolarHBondContact CE-CD2 3.19Å; K74-H143 VanDerWaalsContact CE-NE2 3.28Å; K74-H143 WeakPolarHBondContact CE-NE2 3.27Å; K74-H143 PolarHBondContact NZ-NE2 3.33Å; D141-H143 VanDerWaalsContact C-N 3.27Å; D141-H143 PolarHBondContact O-N 3.06Å; D141-H143 VanDerWaalsContact O-N 3.16Å; D141-H143 PolarHBondContact OD1-N 3.16Å; D141-H143 WeakPolarHBondContact OD2-CA 3.23Å; D141-H143 WeakPolarHBondContact OD2-CB 3.31Å; D141-H143 IonicContact OD2-CE1 3.79Å; D141-H143 IonicContact OD2-CG 3.35Å; D141-H143 IonicContact OD2-ND1 3.55Å; D141-H143 PolarHBondContact OD2-ND1 2.89Å; H143-D145 IonicContact NE2-OD1 3.93Å; H143-A156 WeakPolarHBondContact O-CB 3.49Å; H143-N238 VanDerWaalsContact CE1-CG 3.41Å; H143-N238 PolarHBondContact CE1-ND2 2.79Å; H143-N238 VanDerWaalsContact CE1-ND2 3.32Å; H143-N238 PolarHBondContact CE1-OD1 2.98Å; H143-N238 PolarHBondContact ND1-OD1 3.49Å; H143-E374 IonicContact CE1-OE1 3.77Å; H143-E374 PolarHBondContact CE1-OE1 2.97Å; H143-W409 AromaticContact CE1-CH2 3.34Å; H143-W409 WeakPolarHBondContact CE1-CH2 3.18Å; H143-W409 AromaticContact CE1-CZ3 3.25Å; H143-W409 WeakPolarHBondContact CE1-CZ3 3.5Å; H143-W409 AromaticContact NE2-CH2 3.29Å; H143-W409 VanDerWaalsContact NE2-CH2 3.29Å; H143-W409 WeakPolarHBondContact NE2-CH2 3.25Å; H143-W409 AromaticContact NE2-CZ3 3.74Å
144	Q	94	Very high	95.3	Very high	4 Å²	4	23.6 Å²	23.6	2%	0.019	13%	0.128	C	C	.	.			trans	-144.5	146.5	172.4	73	79	33.4	0	0	111.5	A156 Y191 I237 N238 E239	Q144-A156 HydrophobicContact CB-CB 3.48Å; Q144-A156 VanDerWaalsContact CB-CB 3.48Å; Q144-Y191 PolarHBondContact NE2-OH 2.96Å; Q144-Y191 PolarHBondContact OE1-OH 2.96Å; Q144-I237 HydrophobicContact CG-CD1 4.37Å; Q144-I237 HydrophobicContact CG-CG1 4.01Å; Q144-N238 VanDerWaalsContact CG-O 3.29Å; Q144-N238 WeakPolarHBondContact CG-O 3.35Å; Q144-N238 PolarHBondContact NE2-O 3.49Å; Q144-N238 PolarHBondContact O-ND2 3.46Å; Q144-E239 PolarHBondContact NE2-O 3.25Å
145	D	92.2	Very high	95.3	Very high	21 Å²	21	21.7 Å²	21.7	11%	0.112	12%	0.122	C	C	.	.	S	Bend	trans	-133.2	84.1	173.3	-79.9	-4.3	0	0	0	108	K74 H143 L147 A153 W187	K74-D145 VanDerWaalsContact NZ-CG 3.26Å; K74-D145 IonicContact NZ-OD1 2.77Å; K74-D145 PolarHBondContact NZ-OD1 3.22Å; K74-D145 IonicContact NZ-OD2 2.75Å; K74-D145 PolarHBondContact NZ-OD2 3Å; H143-D145 IonicContact NE2-OD1 3.93Å; D145-L147 VanDerWaalsContact C-N 3.32Å; D145-L147 PolarHBondContact O-N 2.8Å; D145-A153 WeakPolarHBondContact O-CB 3.43Å; D145-W187 HydrophobicContact CB-CE3 4.35Å; D145-W187 HydrophobicContact CB-CH2 3.7Å; D145-W187 HydrophobicContact CB-CZ2 4.48Å; D145-W187 HydrophobicContact CB-CZ3 3.64Å
146	G	93.5	Very high	95.4	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.106	C	C	.	.	S	Bend	trans	76.9	18.3	-178.1	0	0	0	0	0	114.2	S148 A153 Y191	G146-S148 VanDerWaalsContact C-N 3.25Å; G146-S148 PolarHBondContact O-N 3.08Å; G146-A153 WeakPolarHBondContact O-CB 3.15Å; G146-Y191 PolarHBondContact N-OH 3.09Å
147	L	95.8	Very high	95.5	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.01	11%	0.107	C	C	.	.	S	Bend	trans	66.4	-49.3	170.2	-168.8	73.5	0	0	0	117.3	D145 L151 I154 A156 V157 M162 A199 F200 I203	D145-L147 VanDerWaalsContact C-N 3.32Å; D145-L147 PolarHBondContact O-N 2.8Å; L147-L151 HydrophobicContact CB-CD1 4.11Å; L147-L151 HydrophobicContact CD2-CD1 4.08Å; L147-I154 CarbonylContact C-O 3.32Å; L147-A156 WeakPolarHBondContact O-CB 3.36Å; L147-A156 PolarHBondContact O-N 3.28Å; L147-V157 HydrophobicContact CD1-CB 4.46Å; L147-V157 HydrophobicContact CD1-CG1 3.62Å; L147-V157 HydrophobicContact CD1-CG2 3.95Å; L147-V157 HydrophobicContact CG-CG2 3.96Å; L147-V157 PolarHBondContact O-N 3.44Å; L147-M162 HydrophobicContact CD2-CE 4.23Å; L147-M162 HydrophobicContact CD2-SD 3.76Å; L147-M162 HydrophobicContact CG-SD 4.06Å; L147-A199 HydrophobicContact CD2-CB 4.02Å; L147-F200 HydrophobicContact CB-CE2 4.04Å; L147-F200 HydrophobicContact CB-CZ 3.73Å; L147-F200 HydrophobicContact CD1-CE1 4.44Å; L147-F200 HydrophobicContact CD1-CZ 4.44Å; L147-F200 HydrophobicContact CD2-CE2 4.45Å; L147-F200 HydrophobicContact CD2-CZ 4.4Å; L147-F200 HydrophobicContact CG-CZ 4.43Å; L147-I203 HydrophobicContact CD1-CD1 4.21Å; L147-I203 HydrophobicContact CD2-CD1 3.99Å
148	S	95.9	Very high	95.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.103	C	C	.	.			trans	-158.1	153.9	-173	177.4	0	0	0	0	114.8	G146 R150 L151 A153 I154 D155	G146-S148 VanDerWaalsContact C-N 3.25Å; G146-S148 PolarHBondContact O-N 3.08Å; S148-R150 PolarHBondContact O-N 3.28Å; S148-R150 PolarHBondContact OG-N 3.1Å; S148-R150 VanDerWaalsContact OG-N 3.1Å; S148-L151 CarbonylContact O-C 3.56Å; S148-L151 WeakPolarHBondContact O-CA 3.45Å; S148-L151 WeakPolarHBondContact O-CB 3.26Å; S148-L151 PolarHBondContact O-N 3.02Å; S148-A153 CarbonylContact C-O 3.53Å; S148-A153 PolarHBondContact O-N 3.43Å; S148-A153 VanDerWaalsContact O-N 3.16Å; S148-I154 WeakPolarHBondContact CA-O 3.3Å; S148-I154 PolarHBondContact N-O 3.44Å; S148-D155 PolarHBondContact OG-OD1 3.35Å
149	K	94.3	Very high	95.4	Very high	140 Å²	140	24.2 Å²	24.2	61%	0.609	13%	0.129	S	C	*	.	G	3₁₀ helix	trans	-57.6	-27	166	-74.2	-176.7	-164	128.9	0	113.7	L151 G152 A153 D155	K149-L151 PolarHBondContact O-N 3.32Å; K149-L151 VanDerWaalsContact O-N 3.12Å; K149-G152 PolarHBondContact O-N 3.41Å; K149-A153 WeakPolarHBondContact CA-O 3.23Å; K149-A153 WeakPolarHBondContact CG-O 3.24Å; K149-A153 PolarHBondContact N-O 3.15Å; K149-D155 WeakPolarHBondContact CB-OD1 3.44Å; K149-D155 WeakPolarHBondContact CD-OD2 3.31Å; K149-D155 WeakPolarHBondContact CE-OD2 3.28Å; K149-D155 VanDerWaalsContact CG-OD2 3.31Å; K149-D155 WeakPolarHBondContact CG-OD2 3.35Å; K149-D155 PolarHBondContact N-OD1 2.96Å; K149-D155 IonicContact NZ-OD2 2.72Å; K149-D155 PolarHBondContact NZ-OD2 3.11Å
150	R	95.3	Very high	95.3	Very high	49 Å²	49	25.4 Å²	25.4	19%	0.185	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-57.3	-24.2	170.9	174.4	173.2	159.6	-159.3	-18.8	112.1	S148 M162 I165 R167 E195	S148-R150 PolarHBondContact O-N 3.28Å; S148-R150 PolarHBondContact OG-N 3.1Å; S148-R150 VanDerWaalsContact OG-N 3.1Å; R150-M162 PolarHBondContact NH1-O 2.81Å; R150-I165 PolarHBondContact NH1-O 3.07Å; R150-I165 VanDerWaalsContact NH1-O 3.15Å; R150-I165 PolarHBondContact NH2-O 3.25Å; R150-R167 VanDerWaalsContact NH2-CG 3.3Å; R150-E195 IonicContact CZ-OE1 3.44Å; R150-E195 IonicContact NE-OE1 3.84Å; R150-E195 PolarHBondContact NE-OE1 3.35Å; R150-E195 IonicContact NH2-OE1 3.17Å; R150-E195 PolarHBondContact NH2-OE1 3Å
151	L	96.1	Very high	95.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-107.6	18.1	-179.9	-52.6	176.3	0	0	0	112.1	L147 S148 K149 A153 M162 Y174 T190 E195 A199	L147-L151 HydrophobicContact CB-CD1 4.11Å; L147-L151 HydrophobicContact CD2-CD1 4.08Å; S148-L151 CarbonylContact O-C 3.56Å; S148-L151 WeakPolarHBondContact O-CA 3.45Å; S148-L151 WeakPolarHBondContact O-CB 3.26Å; S148-L151 PolarHBondContact O-N 3.02Å; K149-L151 PolarHBondContact O-N 3.32Å; K149-L151 VanDerWaalsContact O-N 3.12Å; L151-A153 PolarHBondContact O-N 3.27Å; L151-M162 HydrophobicContact CD1-CE 4.12Å; L151-M162 HydrophobicContact CG-CE 4.25Å; L151-Y174 VanDerWaalsContact C-CD2 3.44Å; L151-Y174 VanDerWaalsContact C-CE2 3.43Å; L151-Y174 VanDerWaalsContact O-CD2 3.29Å; L151-Y174 WeakPolarHBondContact O-CD2 3.42Å; L151-Y174 WeakPolarHBondContact O-CE2 3.4Å; L151-T190 WeakPolarHBondContact O-CB 3.48Å; L151-T190 WeakPolarHBondContact O-CG2 3.47Å; L151-E195 HydrophobicContact CD2-CB 3.95Å; L151-E195 HydrophobicContact CD2-CG 3.61Å; L151-A199 HydrophobicContact CD1-CB 4.14Å
152	G	93.1	Very high	95.2	Very high	34 Å²	34	25.6 Å²	25.6	35%	0.351	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	7.6	-178.3	0	0	0	0	0	115.1	K149 Y174	K149-G152 PolarHBondContact O-N 3.41Å; G152-Y174 VanDerWaalsContact CA-CZ 3.44Å; G152-Y174 WeakPolarHBondContact CA-OH 3.03Å
153	A	92.7	Very high	95.1	Very high	12 Å²	12	31.3 Å²	31.3	10%	0.099	17%	0.165	C	C	.	.	S	Bend	trans	-110	-172.9	-174.2	0	0	0	0	0	112.2	D145 G146 S148 K149 L151	D145-A153 WeakPolarHBondContact O-CB 3.43Å; G146-A153 WeakPolarHBondContact O-CB 3.15Å; S148-A153 CarbonylContact C-O 3.53Å; S148-A153 PolarHBondContact O-N 3.43Å; S148-A153 VanDerWaalsContact O-N 3.16Å; K149-A153 WeakPolarHBondContact CA-O 3.23Å; K149-A153 WeakPolarHBondContact CG-O 3.24Å; K149-A153 PolarHBondContact N-O 3.15Å; L151-A153 PolarHBondContact O-N 3.27Å
154	I	89.9	Confident	95.1	Very high	76 Å²	76	33.5 Å²	33.5	39%	0.39	17%	0.174	S	C	.	.			trans	-78.2	145.8	173.5	-62.1	172.4	0	0	0	108.8	K74 L147 S148 A156	K74-I154 HydrophobicContact CB-CD1 4.47Å; K74-I154 HydrophobicContact CB-CG2 4.2Å; K74-I154 HydrophobicContact CD-CD1 4.24Å; L147-I154 CarbonylContact C-O 3.32Å; S148-I154 WeakPolarHBondContact CA-O 3.3Å; S148-I154 PolarHBondContact N-O 3.44Å; I154-A156 PolarHBondContact O-N 2.9Å; I154-A156 VanDerWaalsContact O-N 3.15Å
155	D	92.2	Very high	95.3	Very high	24 Å²	24	33.4 Å²	33.4	13%	0.128	17%	0.174	C	C	.	.			trans	-67.4	113.1	172.7	-64.2	-49.1	0	0	0	109.8	I107 S148 K149	I107-D155 HydrophobicContact CD1-CB 3.34Å; I107-D155 WeakPolarHBondContact CD1-O 3.39Å; S148-D155 PolarHBondContact OG-OD1 3.35Å; K149-D155 WeakPolarHBondContact CB-OD1 3.44Å; K149-D155 WeakPolarHBondContact CD-OD2 3.31Å; K149-D155 WeakPolarHBondContact CE-OD2 3.28Å; K149-D155 VanDerWaalsContact CG-OD2 3.31Å; K149-D155 WeakPolarHBondContact CG-OD2 3.35Å; K149-D155 PolarHBondContact N-OD1 2.96Å; K149-D155 IonicContact NZ-OD2 2.72Å; K149-D155 PolarHBondContact NZ-OD2 3.11Å
156	A	94.7	Very high	95.6	Very high	12 Å²	12	40.5 Å²	40.5	10%	0.099	20%	0.204	C	C	.	.			trans	-103.1	-28.2	170.7	0	0	0	0	0	111.9	H143 Q144 L147 I154	H143-A156 WeakPolarHBondContact O-CB 3.49Å; Q144-A156 HydrophobicContact CB-CB 3.48Å; Q144-A156 VanDerWaalsContact CB-CB 3.48Å; L147-A156 WeakPolarHBondContact O-CB 3.36Å; L147-A156 PolarHBondContact O-N 3.28Å; I154-A156 PolarHBondContact O-N 2.9Å; I154-A156 VanDerWaalsContact O-N 3.15Å
157	V	97.5	Very high	95.7	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.024	22%	0.223	C	C	.	.	S	Bend	trans	-115.9	152.6	175.9	-57.8	0	0	0	0	111	W106 L147 F161 M162	W106-V157 HydrophobicContact CD2-CG1 4.4Å; W106-V157 HydrophobicContact CE3-CB 4.23Å; W106-V157 HydrophobicContact CE3-CG1 3.56Å; W106-V157 HydrophobicContact CZ3-CG1 3.85Å; L147-V157 HydrophobicContact CD1-CB 4.46Å; L147-V157 HydrophobicContact CD1-CG1 3.62Å; L147-V157 HydrophobicContact CD1-CG2 3.95Å; L147-V157 HydrophobicContact CG-CG2 3.96Å; L147-V157 PolarHBondContact O-N 3.44Å; V157-F161 HydrophobicContact CB-CD1 3.79Å; V157-F161 HydrophobicContact CB-CE1 4.38Å; V157-F161 HydrophobicContact CB-CG 4.45Å; V157-F161 HydrophobicContact CG1-CD1 4.26Å; V157-F161 HydrophobicContact CG1-CE1 4.38Å; V157-F161 HydrophobicContact CG2-CD1 3.59Å; V157-F161 HydrophobicContact CG2-CE1 4.16Å; V157-M162 HydrophobicContact CG2-CG 3.82Å; V157-M162 HydrophobicContact CG2-SD 3.75Å
158	P	97.3	Very high	95.8	Very high	4 Å²	4	45.9 Å²	45.9	3%	0.026	23%	0.225	C	C	.	.			trans	-61.5	148.7	177	-21.6	31.4	0	0	0	113.4	W106 I107 K110 W160 F161 M162	W106-P158 HydrophobicContact CG-CG 4.18Å; I107-P158 HydrophobicContact CG1-CG 4.45Å; K110-P158 HydrophobicContact CB-CG 4.41Å; K110-P158 VanDerWaalsContact O-CG 3.25Å; K110-P158 WeakPolarHBondContact O-CG 3.21Å; P158-W160 HydrophobicContact CB-CD2 4.09Å; P158-W160 VanDerWaalsContact CB-CE2 3.49Å; P158-W160 HydrophobicContact CB-CG 4Å; P158-W160 HydrophobicContact CB-CZ2 4.06Å; P158-W160 HydrophobicContact CG-CZ2 3.75Å; P158-W160 PolarHBondContact O-N 3.04Å; P158-F161 WeakPolarHBondContact O-CB 3.48Å; P158-F161 PolarHBondContact O-N 2.68Å; P158-M162 PolarHBondContact O-N 2.97Å
159	N	96.4	Very high	95.9	Very high	102 Å²	102	49.8 Å²	49.8	55%	0.545	25%	0.25	S	S	.	.	H	α-helix	trans	-56.2	-39.2	177	-72.1	-31.6	0	0	0	112.6	F161 M162 D163	N159-F161 PolarHBondContact O-N 2.91Å; N159-M162 WeakPolarHBondContact O-CB 3.21Å; N159-M162 PolarHBondContact O-N 3.36Å; N159-D163 PolarHBondContact O-N 2.91Å
160	W	97.6	Very high	96	Very high	26 Å²	26	52.4 Å²	52.4	10%	0.098	26%	0.258	C	S	.	.	H	α-helix	trans	-62.2	-27.3	178.4	64.3	-104.5	0	0	0	112.8	K110 H112 E113 P158 K164 Y213	K110-W160 HydrophobicContact CB-CZ2 3.87Å; K110-W160 HydrophobicContact CD-CZ2 4.15Å; K110-W160 PolarHBondContact O-NE1 3.08Å; H112-W160 VanDerWaalsContact C-NE1 3.32Å; E113-W160 HydrophobicContact CB-CD2 3.74Å; E113-W160 HydrophobicContact CB-CE3 3.79Å; E113-W160 HydrophobicContact CB-CG 4.08Å; E113-W160 HydrophobicContact CB-CZ3 4.37Å; E113-W160 HydrophobicContact CG-CD2 4.36Å; E113-W160 HydrophobicContact CG-CE3 3.9Å; E113-W160 HydrophobicContact CG-CZ3 4.12Å; P158-W160 HydrophobicContact CB-CD2 4.09Å; P158-W160 VanDerWaalsContact CB-CE2 3.49Å; P158-W160 HydrophobicContact CB-CG 4Å; P158-W160 HydrophobicContact CB-CZ2 4.06Å; P158-W160 HydrophobicContact CG-CZ2 3.75Å; P158-W160 PolarHBondContact O-N 3.04Å; W160-K164 WeakPolarHBondContact O-CG 3.29Å; W160-Y213 AromaticContact CH2-CD1 3.96Å; W160-Y213 HydrophobicContact CH2-CD1 3.96Å; W160-Y213 AromaticContact CZ3-CD1 3.49Å; W160-Y213 HydrophobicContact CZ3-CD1 3.49Å; W160-Y213 VanDerWaalsContact CZ3-CD1 3.49Å; W160-Y213 AromaticContact CZ3-CE1 3.87Å; W160-Y213 HydrophobicContact CZ3-CE1 3.87Å; W160-Y213 HydrophobicContact CZ3-CG 4.12Å
161	F	98	Very high	96.1	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-73.6	-44.1	174.6	171	-93.1	0	0	0	110.1	W106 V157 P158 N159 D163 K164 I165 I203 L210 Y213 F214	W106-F161 AromaticContact CH2-CD2 3.92Å; W106-F161 HydrophobicContact CH2-CD2 3.92Å; W106-F161 AromaticContact CH2-CE2 3.81Å; W106-F161 HydrophobicContact CH2-CE2 3.81Å; W106-F161 HydrophobicContact CH2-CG 4.45Å; W106-F161 HydrophobicContact CH2-CZ 4.27Å; W106-F161 HydrophobicContact CZ2-CD2 4.11Å; W106-F161 HydrophobicContact CZ2-CE2 4.42Å; V157-F161 HydrophobicContact CB-CD1 3.79Å; V157-F161 HydrophobicContact CB-CE1 4.38Å; V157-F161 HydrophobicContact CB-CG 4.45Å; V157-F161 HydrophobicContact CG1-CD1 4.26Å; V157-F161 HydrophobicContact CG1-CE1 4.38Å; V157-F161 HydrophobicContact CG2-CD1 3.59Å; V157-F161 HydrophobicContact CG2-CE1 4.16Å; P158-F161 WeakPolarHBondContact O-CB 3.48Å; P158-F161 PolarHBondContact O-N 2.68Å; N159-F161 PolarHBondContact O-N 2.91Å; F161-D163 PolarHBondContact O-N 2.91Å; F161-K164 WeakPolarHBondContact O-CB 3.5Å; F161-K164 PolarHBondContact O-N 3.5Å; F161-I165 HydrophobicContact CE1-CD1 3.96Å; F161-I165 HydrophobicContact CZ-CD1 4.46Å; F161-I203 HydrophobicContact CE1-CD1 4.28Å; F161-I203 HydrophobicContact CZ-CD1 4.3Å; F161-I203 HydrophobicContact CZ-CG1 4.21Å; F161-L210 HydrophobicContact CD2-CD2 4.24Å; F161-L210 HydrophobicContact CE1-CD2 4.49Å; F161-L210 HydrophobicContact CE2-CD2 3.54Å; F161-L210 HydrophobicContact CZ-CD2 3.69Å; F161-Y213 HydrophobicContact CD2-CD2 4.17Å; F161-Y213 HydrophobicContact CD2-CG 4.1Å; F161-Y213 HydrophobicContact CE2-CD2 4.18Å; F161-Y213 HydrophobicContact CE2-CG 4.38Å; F161-F214 HydrophobicContact CE1-CE2 4.49Å; F161-F214 HydrophobicContact CE2-CD2 4.3Å; F161-F214 HydrophobicContact CE2-CE2 4.1Å; F161-F214 HydrophobicContact CZ-CD2 4.25Å; F161-F214 AromaticContact CZ-CE2 3.6Å; F161-F214 HydrophobicContact CZ-CE2 3.6Å; F161-F214 HydrophobicContact CZ-CZ 4.36Å
162	M	97.4	Very high	96.2	Very high	3 Å²	3	60.4 Å²	60.4	2%	0.015	30%	0.3	C	S	.	.	H	α-helix	trans	-59.9	-32.2	174.5	-69.6	-57	-63.8	0	0	112.4	L147 R150 L151 V157 P158 N159 K164 I165 A199	L147-M162 HydrophobicContact CD2-CE 4.23Å; L147-M162 HydrophobicContact CD2-SD 3.76Å; L147-M162 HydrophobicContact CG-SD 4.06Å; R150-M162 PolarHBondContact NH1-O 2.81Å; L151-M162 HydrophobicContact CD1-CE 4.12Å; L151-M162 HydrophobicContact CG-CE 4.25Å; V157-M162 HydrophobicContact CG2-CG 3.82Å; V157-M162 HydrophobicContact CG2-SD 3.75Å; P158-M162 PolarHBondContact O-N 2.97Å; N159-M162 WeakPolarHBondContact O-CB 3.21Å; N159-M162 PolarHBondContact O-N 3.36Å; M162-K164 PolarHBondContact O-N 3.29Å; M162-I165 HydrophobicContact CE-CD1 4.35Å; M162-I165 WeakPolarHBondContact O-CB 3.38Å; M162-I165 PolarHBondContact O-N 3.27Å; M162-I165 HydrophobicContact SD-CD1 4.02Å; M162-A199 HydrophobicContact CE-CB 4.48Å
163	D	96.8	Very high	96.4	Very high	126 Å²	126	60.4 Å²	60.4	67%	0.674	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-22.9	176	-66.7	-26.9	0	0	0	113.2	N159 F161 I165	N159-D163 PolarHBondContact O-N 2.91Å; F161-D163 PolarHBondContact O-N 2.91Å; D163-I165 VanDerWaalsContact C-N 3.27Å
164	K	97.4	Very high	96.6	Very high	64 Å²	64	61.5 Å²	61.5	28%	0.278	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-18.7	173.3	-48.9	-58.5	177.5	168.5	0	112.4	E113 W160 F161 M162 K166 L210 Y213	E113-K164 WeakPolarHBondContact OE1-CE 3.35Å; E113-K164 IonicContact OE1-NZ 2.88Å; E113-K164 PolarHBondContact OE1-NZ 2.97Å; E113-K164 WeakPolarHBondContact OE2-CE 3.49Å; E113-K164 IonicContact OE2-NZ 2.81Å; E113-K164 PolarHBondContact OE2-NZ 3.47Å; W160-K164 WeakPolarHBondContact O-CG 3.29Å; F161-K164 WeakPolarHBondContact O-CB 3.5Å; F161-K164 PolarHBondContact O-N 3.5Å; M162-K164 PolarHBondContact O-N 3.29Å; K164-K166 PolarHBondContact O-N 3.36Å; K164-L210 HydrophobicContact CB-CD2 4.01Å; K164-Y213 HydrophobicContact CB-CE2 4.47Å; K164-Y213 HydrophobicContact CG-CE2 4.07Å
165	I	97.8	Very high	96.9	Very high	2 Å²	2	59.7 Å²	59.7	1%	0.01	29%	0.286	C	S	.	.	S	Bend	trans	-89.5	101.9	177.2	-52.4	-178.4	0	0	0	109	R150 F161 M162 D163 R167 A199 I203 L210	R150-I165 PolarHBondContact NH1-O 3.07Å; R150-I165 VanDerWaalsContact NH1-O 3.15Å; R150-I165 PolarHBondContact NH2-O 3.25Å; F161-I165 HydrophobicContact CE1-CD1 3.96Å; F161-I165 HydrophobicContact CZ-CD1 4.46Å; M162-I165 HydrophobicContact CE-CD1 4.35Å; M162-I165 WeakPolarHBondContact O-CB 3.38Å; M162-I165 PolarHBondContact O-N 3.27Å; M162-I165 HydrophobicContact SD-CD1 4.02Å; D163-I165 VanDerWaalsContact C-N 3.27Å; I165-R167 PolarHBondContact O-N 2.98Å; I165-A199 HydrophobicContact CD1-CB 4.26Å; I165-A199 HydrophobicContact CG2-CB 4.34Å; I165-I203 HydrophobicContact CD1-CD1 4.46Å; I165-I203 HydrophobicContact CD1-CG1 4.32Å; I165-L210 HydrophobicContact CD1-CD1 4.4Å; I165-L210 HydrophobicContact CD1-CD2 4.43Å; I165-L210 HydrophobicContact CG1-CD1 3.91Å; I165-L210 HydrophobicContact CG1-CD2 3.79Å
166	K	97.1	Very high	97.1	Very high	170 Å²	170	63 Å²	63	74%	0.739	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-51.8	127	175.4	-177.5	179.4	178.4	-179.7	0	110.1	K164 H198	K164-K166 PolarHBondContact O-N 3.36Å; K166-H198 PolarHBondContact O-NE2 3.23Å
167	R	97.4	Very high	97.2	Very high	108 Å²	108	65.3 Å²	65.3	41%	0.408	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-64.2	148.9	177.5	-43.9	-154.2	60.7	-174.8	-5.1	111.2	R150 I165 Q173 E195	R150-R167 VanDerWaalsContact NH2-CG 3.3Å; I165-R167 PolarHBondContact O-N 2.98Å; R167-Q173 HydrophobicContact CB-CG 4.46Å; R167-Q173 VanDerWaalsContact NH1-OE1 3.15Å; R167-E195 IonicContact CZ-OE1 3.74Å; R167-E195 IonicContact CZ-OE2 3.33Å; R167-E195 IonicContact NE-OE1 2.85Å; R167-E195 PolarHBondContact NE-OE1 3.26Å; R167-E195 IonicContact NE-OE2 3.81Å; R167-E195 IonicContact NH2-OE1 2.81Å; R167-E195 PolarHBondContact NH2-OE1 3.22Å; R167-E195 IonicContact NH2-OE2 3.77Å; R167-E195 PolarHBondContact NH2-OE2 2.77Å
168	P	97.3	Very high	97.2	Very high	7 Å²	7	67.5 Å²	67.5	5%	0.045	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-67	169.8	166.9	32.9	-37.1	0	0	0	110.9	F172 Q173 Y194 E195	P168-F172 HydrophobicContact CB-CB 4.36Å; P168-Q173 HydrophobicContact CG-CG 3.95Å; P168-Q173 PolarHBondContact O-NE2 2.83Å; P168-Y194 HydrophobicContact CB-CD1 3.89Å; P168-Y194 HydrophobicContact CB-CE1 3.59Å; P168-Y194 HydrophobicContact CG-CD1 4.1Å; P168-Y194 HydrophobicContact CG-CE1 4.3Å; P168-E195 HydrophobicContact CG-CB 4.06Å; P168-E195 HydrophobicContact CG-CG 3.88Å
169	P	97.5	Very high	96.9	Very high	82 Å²	82	74 Å²	74	53%	0.532	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-49.6	143.4	171.6	-25.8	34.4	0	0	0	111.5	L171 F172 Q173	P169-L171 PolarHBondContact O-N 2.79Å; P169-F172 HydrophobicContact CB-CD2 4.1Å; P169-F172 HydrophobicContact CG-CD2 4.21Å; P169-F172 PolarHBondContact O-N 2.9Å; P169-Q173 PolarHBondContact O-N 3.17Å
170	Y	97.3	Very high	96.8	Very high	195 Å²	195	76.7 Å²	76.7	77%	0.765	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-49.4	-38.6	-171.3	179.9	-103.7	0	0	0	114.2	F172 Q173	Y170-F172 PolarHBondContact O-N 2.92Å; Y170-Q173 WeakPolarHBondContact O-CB 3.38Å; Y170-Q173 PolarHBondContact O-N 3.21Å
171	L	96.5	Very high	96.5	Very high	141 Å²	141	80.4 Å²	80.4	74%	0.738	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-62.4	-22.6	178.1	-73.3	152	0	0	0	114.7	P169	P169-L171 PolarHBondContact O-N 2.79Å
172	F	97.2	Very high	96.2	Very high	77 Å²	77	81.8 Å²	81.8	34%	0.338	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-110.2	7.6	-179.8	-56.5	-59.5	0	0	0	112.7	P168 P169 Y170 W176 Y194	P168-F172 HydrophobicContact CB-CB 4.36Å; P169-F172 HydrophobicContact CB-CD2 4.1Å; P169-F172 HydrophobicContact CG-CD2 4.21Å; P169-F172 PolarHBondContact O-N 2.9Å; Y170-F172 PolarHBondContact O-N 2.92Å; F172-W176 AromaticContact CD1-CD2 3.86Å; F172-W176 HydrophobicContact CD1-CD2 3.86Å; F172-W176 AromaticContact CD1-CE2 3.95Å; F172-W176 AromaticContact CD1-CE3 3.88Å; F172-W176 HydrophobicContact CD1-CE3 3.88Å; F172-W176 HydrophobicContact CD1-CH2 4.07Å; F172-W176 HydrophobicContact CD1-CZ2 4.06Å; F172-W176 AromaticContact CD1-CZ3 3.99Å; F172-W176 HydrophobicContact CD1-CZ3 3.99Å; F172-W176 HydrophobicContact CE1-CH2 4.15Å; F172-W176 HydrophobicContact CE1-CZ2 4Å; F172-Y194 HydrophobicContact CB-CD1 3.66Å; F172-Y194 HydrophobicContact CB-CD2 4.44Å; F172-Y194 HydrophobicContact CB-CE1 4.07Å; F172-Y194 HydrophobicContact CB-CG 3.9Å
173	Q	97.7	Very high	95.9	Very high	33 Å²	33	84.8 Å²	84.8	15%	0.154	42%	0.421	C	S	.	.	S	Bend	trans	-70	156.8	172.2	-71.8	177.5	15.8	0	0	109.9	R167 P168 P169 Y170 W176 E195	R167-Q173 HydrophobicContact CB-CG 4.46Å; R167-Q173 VanDerWaalsContact NH1-OE1 3.15Å; P168-Q173 HydrophobicContact CG-CG 3.95Å; P168-Q173 PolarHBondContact O-NE2 2.83Å; P169-Q173 PolarHBondContact O-N 3.17Å; Y170-Q173 WeakPolarHBondContact O-CB 3.38Å; Y170-Q173 PolarHBondContact O-N 3.21Å; Q173-W176 WeakPolarHBondContact O-CB 3.3Å; Q173-W176 PolarHBondContact O-N 2.6Å; Q173-E195 VanDerWaalsContact CA-OE2 3.28Å; Q173-E195 WeakPolarHBondContact CA-OE2 3.22Å; Q173-E195 VanDerWaalsContact CB-OE2 3.3Å; Q173-E195 WeakPolarHBondContact CB-OE2 3.22Å
174	Y	97.2	Very high	95.4	Very high	35 Å²	35	87.6 Å²	87.6	14%	0.137	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	133	174.8	179.6	-87	0	0	0	109.8	L151 G152 D181 P182 T190 T193 E195	L151-Y174 VanDerWaalsContact C-CD2 3.44Å; L151-Y174 VanDerWaalsContact C-CE2 3.43Å; L151-Y174 VanDerWaalsContact O-CD2 3.29Å; L151-Y174 WeakPolarHBondContact O-CD2 3.42Å; L151-Y174 WeakPolarHBondContact O-CE2 3.4Å; G152-Y174 VanDerWaalsContact CA-CZ 3.44Å; G152-Y174 WeakPolarHBondContact CA-OH 3.03Å; Y174-D181 WeakPolarHBondContact CE1-OD1 3.45Å; Y174-D181 PolarHBondContact OH-OD1 2.97Å; Y174-P182 WeakPolarHBondContact OH-CD 3.21Å; Y174-T190 HydrophobicContact CE2-CG2 4.22Å; Y174-T193 HydrophobicContact CD2-CG2 3.77Å; Y174-T193 HydrophobicContact CE2-CG2 3.84Å; Y174-E195 PolarHBondContact N-OE2 3.42Å
175	P	96	Very high	94.8	Very high	38 Å²	38	89.4 Å²	89.4	25%	0.247	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	cis	-95.9	12	15.7	37.4	-36.4	0	0	0	116.5	L178 T193	P175-L178 CarbonylContact C-O 3.47Å; P175-L178 HydrophobicContact CB-CB 4.24Å; P175-L178 WeakPolarHBondContact O-CA 3.5Å; P175-L178 WeakPolarHBondContact O-CB 3.14Å; P175-L178 PolarHBondContact O-N 3.02Å; P175-T193 WeakPolarHBondContact O-CG2 3.42Å
176	W	97.4	Very high	94.4	Very high	95 Å²	95	90.1 Å²	90.1	36%	0.36	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	135.6	-173.9	-172	94.3	0	0	0	113.1	F172 Q173 T193 Y194 Y246	F172-W176 AromaticContact CD1-CD2 3.86Å; F172-W176 HydrophobicContact CD1-CD2 3.86Å; F172-W176 AromaticContact CD1-CE2 3.95Å; F172-W176 AromaticContact CD1-CE3 3.88Å; F172-W176 HydrophobicContact CD1-CE3 3.88Å; F172-W176 HydrophobicContact CD1-CH2 4.07Å; F172-W176 HydrophobicContact CD1-CZ2 4.06Å; F172-W176 AromaticContact CD1-CZ3 3.99Å; F172-W176 HydrophobicContact CD1-CZ3 3.99Å; F172-W176 HydrophobicContact CE1-CH2 4.15Å; F172-W176 HydrophobicContact CE1-CZ2 4Å; Q173-W176 WeakPolarHBondContact O-CB 3.3Å; Q173-W176 PolarHBondContact O-N 2.6Å; W176-T193 WeakPolarHBondContact O-CA 3.39Å; W176-T193 WeakPolarHBondContact O-CB 3.42Å; W176-Y194 VanDerWaalsContact CE3-CB 3.42Å; W176-Y194 HydrophobicContact CE3-CD2 4.36Å; W176-Y194 HydrophobicContact CE3-CG 4.21Å; W176-Y194 AromaticContact CZ3-CD2 3.81Å; W176-Y194 HydrophobicContact CZ3-CD2 3.81Å; W176-Y194 HydrophobicContact CZ3-CG 4.12Å; W176-Y194 PolarHBondContact O-N 2.96Å; W176-Y246 AromaticContact CH2-CD1 3.95Å; W176-Y246 HydrophobicContact CH2-CD1 3.95Å; W176-Y246 AromaticContact CH2-CE1 3.8Å; W176-Y246 HydrophobicContact CH2-CE1 3.8Å; W176-Y246 AromaticContact CZ3-CD1 3.77Å; W176-Y246 HydrophobicContact CZ3-CD1 3.77Å; W176-Y246 AromaticContact CZ3-CE1 3.51Å; W176-Y246 HydrophobicContact CZ3-CE1 3.51Å; W176-Y246 HydrophobicContact CZ3-CE2 4.44Å; W176-Y246 HydrophobicContact CZ3-CG 4.35Å; W176-Y246 AromaticContact CZ3-CZ 3.88Å
177	P	96.9	Very high	94.1	Very high	59 Å²	59	86.2 Å²	86.2	38%	0.383	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	cis	-87.1	2.9	9.5	37.7	-38.6	0	0	0	114.7	A192 Y246	P177-A192 WeakPolarHBondContact CD-O 3.25Å; P177-Y246 WeakPolarHBondContact CD-OH 3.47Å; P177-Y246 WeakPolarHBondContact CG-OH 3.46Å
178	L	96.1	Very high	93.8	Very high	50 Å²	50	85.5 Å²	85.5	26%	0.262	44%	0.438	S	S	.	.	S	Bend	trans	-68.5	149.9	173	-47	175.2	0	0	0	109.3	P175 L189 T193	P175-L178 CarbonylContact C-O 3.47Å; P175-L178 HydrophobicContact CB-CB 4.24Å; P175-L178 WeakPolarHBondContact O-CA 3.5Å; P175-L178 WeakPolarHBondContact O-CB 3.14Å; P175-L178 PolarHBondContact O-N 3.02Å; L178-L189 HydrophobicContact CD1-CB 4.36Å; L178-T193 HydrophobicContact CD1-CG2 3.89Å; L178-T193 HydrophobicContact CG-CG2 4.19Å
179	T	92.7	Very high	93.6	Very high	142 Å²	142	88.4 Å²	88.4	87%	0.871	45%	0.452	S	S	*	.	S	Bend	trans	-91.9	-12.7	178	52.5	0	0	0	0	112.9
180	K	92.6	Very high	93.6	Very high	158 Å²	158	84.5 Å²	84.5	69%	0.687	43%	0.427	S	S	*	.	S	Bend	trans	-158	167.1	179.6	62.3	177	-175.6	177.2	0	109.7
181	D	93	Very high	93.5	Very high	103 Å²	103	76.9 Å²	76.9	55%	0.551	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-59.4	138.9	173	-62.1	-27.2	0	0	0	111.2	Y174	Y174-D181 WeakPolarHBondContact CE1-OD1 3.45Å; Y174-D181 PolarHBondContact OH-OD1 2.97Å
182	P	91.8	Very high	93.4	Very high	30 Å²	30	72 Å²	72	20%	0.195	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-65	160.2	170.8	28.6	-32.3	0	0	0	110.9	Y174 A186 L189 T190	Y174-P182 WeakPolarHBondContact OH-CD 3.21Å; P182-A186 HydrophobicContact CB-CB 4.15Å; P182-A186 VanDerWaalsContact CB-O 3.27Å; P182-A186 WeakPolarHBondContact CB-O 3.33Å; P182-L189 HydrophobicContact CB-CB 4.11Å; P182-L189 HydrophobicContact CB-CD1 4.35Å; P182-L189 HydrophobicContact CG-CB 4.37Å; P182-T190 HydrophobicContact CG-CG2 3.93Å
183	S	90.3	Very high	93.4	Very high	66 Å²	66	68.3 Å²	68.3	46%	0.462	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-65	162.5	170.1	57.2	0	0	0	0	110.7	S185 A186 W187	S183-S185 PolarHBondContact O-N 3.24Å; S183-S185 PolarHBondContact OG-OG 3.37Å; S183-A186 CarbonylContact O-C 3.54Å; S183-A186 WeakPolarHBondContact O-CA 3.14Å; S183-A186 PolarHBondContact O-N 3.44Å; S183-A186 WeakPolarHBondContact OG-CB 3.27Å; S183-A186 PolarHBondContact OG-N 2.65Å; S183-W187 PolarHBondContact O-N 2.76Å; S183-W187 VanDerWaalsContact O-N 3.09Å
184	Q	85.7	Confident	93.4	Very high	184 Å²	184	68 Å²	68	86%	0.86	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-55.3	-37	173.9	-174.3	175.8	59.6	0	0	112.2	A186 W187	Q184-A186 PolarHBondContact O-N 2.96Å; Q184-W187 VanDerWaalsContact O-CD1 3.22Å; Q184-W187 PolarHBondContact O-N 3.09Å
185	S	85.3	Confident	93.5	Very high	103 Å²	103	66.3 Å²	66.3	72%	0.72	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-70.9	-15.2	175.4	56.9	0	0	0	0	114.6	S183	S183-S185 PolarHBondContact O-N 3.24Å; S183-S185 PolarHBondContact OG-OG 3.37Å
186	A	89.6	Confident	93.6	Very high	17 Å²	17	64.5 Å²	64.5	14%	0.14	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-118.3	21.5	-178.9	0	0	0	0	0	111.6	P182 S183 Q184 F188 L189	P182-A186 HydrophobicContact CB-CB 4.15Å; P182-A186 VanDerWaalsContact CB-O 3.27Å; P182-A186 WeakPolarHBondContact CB-O 3.33Å; S183-A186 CarbonylContact O-C 3.54Å; S183-A186 WeakPolarHBondContact O-CA 3.14Å; S183-A186 PolarHBondContact O-N 3.44Å; S183-A186 WeakPolarHBondContact OG-CB 3.27Å; S183-A186 PolarHBondContact OG-N 2.65Å; Q184-A186 PolarHBondContact O-N 2.96Å; A186-F188 HydrophobicContact CB-CE1 4.49Å; A186-F188 PolarHBondContact O-N 3.13Å; A186-F188 VanDerWaalsContact O-N 3.09Å; A186-L189 HydrophobicContact CB-CD1 3.9Å; A186-L189 HydrophobicContact CB-CG 4.29Å; A186-L189 VanDerWaalsContact O-CB 3.27Å; A186-L189 WeakPolarHBondContact O-CB 3.47Å; A186-L189 WeakPolarHBondContact O-CG 3.24Å; A186-L189 PolarHBondContact O-N 3.28Å
187	W	90.7	Very high	93.6	Very high	87 Å²	87	60.1 Å²	60.1	33%	0.33	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-54.6	-31.3	-176.2	72.8	-94.1	0	0	0	112.3	D145 S183 Q184 L189 T190 Y191	D145-W187 HydrophobicContact CB-CE3 4.35Å; D145-W187 HydrophobicContact CB-CH2 3.7Å; D145-W187 HydrophobicContact CB-CZ2 4.48Å; D145-W187 HydrophobicContact CB-CZ3 3.64Å; S183-W187 PolarHBondContact O-N 2.76Å; S183-W187 VanDerWaalsContact O-N 3.09Å; Q184-W187 VanDerWaalsContact O-CD1 3.22Å; Q184-W187 PolarHBondContact O-N 3.09Å; W187-L189 PolarHBondContact O-N 2.93Å; W187-L189 VanDerWaalsContact O-N 3.1Å; W187-T190 VanDerWaalsContact O-CB 3.27Å; W187-T190 WeakPolarHBondContact O-CB 3.49Å; W187-T190 WeakPolarHBondContact O-CG2 3.18Å; W187-T190 PolarHBondContact O-N 2.84Å; W187-T190 PolarHBondContact O-OG1 2.9Å; W187-Y191 AromaticContact CH2-CE2 3.99Å; W187-Y191 HydrophobicContact CH2-CE2 3.99Å; W187-Y191 HydrophobicContact CZ3-CD2 4.38Å; W187-Y191 AromaticContact CZ3-CE2 3.62Å; W187-Y191 HydrophobicContact CZ3-CE2 3.62Å
188	F	91.1	Very high	93.6	Very high	94 Å²	94	59 Å²	59	41%	0.412	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-59.5	-21.7	177.4	64.6	-96.2	0	0	0	113	A186 T190 Y191	A186-F188 HydrophobicContact CB-CE1 4.49Å; A186-F188 PolarHBondContact O-N 3.13Å; A186-F188 VanDerWaalsContact O-N 3.09Å; F188-T190 PolarHBondContact O-N 3Å; F188-T190 VanDerWaalsContact O-N 3.15Å; F188-Y191 WeakPolarHBondContact O-CB 3.33Å; F188-Y191 WeakPolarHBondContact O-CD2 3.18Å; F188-Y191 PolarHBondContact O-N 3.13Å; F188-Y191 VanDerWaalsContact O-N 3.13Å
189	L	93.8	Very high	93.7	Very high	67 Å²	67	56.7 Å²	56.7	35%	0.351	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-63.8	-15.1	173	-65.1	179.7	0	0	0	112.9	L178 P182 A186 W187 Y191 A192	L178-L189 HydrophobicContact CD1-CB 4.36Å; P182-L189 HydrophobicContact CB-CB 4.11Å; P182-L189 HydrophobicContact CB-CD1 4.35Å; P182-L189 HydrophobicContact CG-CB 4.37Å; A186-L189 HydrophobicContact CB-CD1 3.9Å; A186-L189 HydrophobicContact CB-CG 4.29Å; A186-L189 VanDerWaalsContact O-CB 3.27Å; A186-L189 WeakPolarHBondContact O-CB 3.47Å; A186-L189 WeakPolarHBondContact O-CG 3.24Å; A186-L189 PolarHBondContact O-N 3.28Å; W187-L189 PolarHBondContact O-N 2.93Å; W187-L189 VanDerWaalsContact O-N 3.1Å; L189-Y191 PolarHBondContact O-N 3Å; L189-A192 WeakPolarHBondContact O-CB 3.43Å; L189-A192 PolarHBondContact O-N 3.01Å
190	T	95.6	Very high	93.9	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-59	-33.2	171.1	56.5	0	0	0	0	112.2	L151 Y174 P182 W187 F188 A192 T193 S196	L151-T190 WeakPolarHBondContact O-CB 3.48Å; L151-T190 WeakPolarHBondContact O-CG2 3.47Å; Y174-T190 HydrophobicContact CE2-CG2 4.22Å; P182-T190 HydrophobicContact CG-CG2 3.93Å; W187-T190 VanDerWaalsContact O-CB 3.27Å; W187-T190 WeakPolarHBondContact O-CB 3.49Å; W187-T190 WeakPolarHBondContact O-CG2 3.18Å; W187-T190 PolarHBondContact O-N 2.84Å; W187-T190 PolarHBondContact O-OG1 2.9Å; F188-T190 PolarHBondContact O-N 3Å; F188-T190 VanDerWaalsContact O-N 3.15Å; T190-A192 PolarHBondContact O-N 3Å; T190-T193 WeakPolarHBondContact O-CB 3.39Å; T190-T193 WeakPolarHBondContact O-CG2 3.22Å; T190-T193 PolarHBondContact O-N 2.88Å; T190-T193 VanDerWaalsContact O-N 3.12Å; T190-T193 PolarHBondContact O-OG1 3.26Å; T190-S196 VanDerWaalsContact O-CB 3.24Å; T190-S196 WeakPolarHBondContact O-CB 3.3Å
191	Y	95.4	Very high	94.2	Very high	35 Å²	35	43.2 Å²	43.2	14%	0.137	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-65.3	-24.6	173.7	-69.7	-67.3	0	0	0	113.3	Q144 G146 W187 F188 L189 T193 F200 P241	Q144-Y191 PolarHBondContact NE2-OH 2.96Å; Q144-Y191 PolarHBondContact OE1-OH 2.96Å; G146-Y191 PolarHBondContact N-OH 3.09Å; W187-Y191 AromaticContact CH2-CE2 3.99Å; W187-Y191 HydrophobicContact CH2-CE2 3.99Å; W187-Y191 HydrophobicContact CZ3-CD2 4.38Å; W187-Y191 AromaticContact CZ3-CE2 3.62Å; W187-Y191 HydrophobicContact CZ3-CE2 3.62Å; F188-Y191 WeakPolarHBondContact O-CB 3.33Å; F188-Y191 WeakPolarHBondContact O-CD2 3.18Å; F188-Y191 PolarHBondContact O-N 3.13Å; F188-Y191 VanDerWaalsContact O-N 3.13Å; L189-Y191 PolarHBondContact O-N 3Å; Y191-T193 PolarHBondContact O-N 2.99Å; Y191-F200 HydrophobicContact CD1-CE2 4.09Å; Y191-F200 AromaticContact CE1-CE2 3.89Å; Y191-F200 HydrophobicContact CE1-CE2 3.89Å; Y191-F200 AromaticContact CE1-CZ 3.95Å; Y191-F200 HydrophobicContact CE1-CZ 3.95Å; Y191-P241 HydrophobicContact CD1-CB 3.81Å; Y191-P241 HydrophobicContact CD1-CG 3.77Å; Y191-P241 HydrophobicContact CE1-CB 4.2Å; Y191-P241 HydrophobicContact CE1-CG 3.87Å
192	A	95.1	Very high	94.4	Very high	38 Å²	38	38.7 Å²	38.7	31%	0.314	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-79.4	1.4	176.4	0	0	0	0	0	112.7	P177 L189 T190 Y246	P177-A192 WeakPolarHBondContact CD-O 3.25Å; L189-A192 WeakPolarHBondContact O-CB 3.43Å; L189-A192 PolarHBondContact O-N 3.01Å; T190-A192 PolarHBondContact O-N 3Å; A192-Y246 PolarHBondContact O-OH 3.1Å
193	T	97.7	Very high	94.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	-85.6	149.5	178.2	67.7	0	0	0	0	112	Y174 P175 W176 L178 T190 Y191 E195 S196 A197	Y174-T193 HydrophobicContact CD2-CG2 3.77Å; Y174-T193 HydrophobicContact CE2-CG2 3.84Å; P175-T193 WeakPolarHBondContact O-CG2 3.42Å; W176-T193 WeakPolarHBondContact O-CA 3.39Å; W176-T193 WeakPolarHBondContact O-CB 3.42Å; L178-T193 HydrophobicContact CD1-CG2 3.89Å; L178-T193 HydrophobicContact CG-CG2 4.19Å; T190-T193 WeakPolarHBondContact O-CB 3.39Å; T190-T193 WeakPolarHBondContact O-CG2 3.22Å; T190-T193 PolarHBondContact O-N 2.88Å; T190-T193 VanDerWaalsContact O-N 3.12Å; T190-T193 PolarHBondContact O-OG1 3.26Å; Y191-T193 PolarHBondContact O-N 2.99Å; T193-E195 PolarHBondContact O-N 3.08Å; T193-S196 PolarHBondContact O-N 2.72Å; T193-S196 VanDerWaalsContact OG1-CB 3.26Å; T193-S196 WeakPolarHBondContact OG1-CB 3.49Å; T193-S196 PolarHBondContact OG1-N 2.9Å; T193-A197 PolarHBondContact O-N 3.35Å
194	Y	98.1	Very high	95	Very high	26 Å²	26	34.6 Å²	34.6	10%	0.102	18%	0.178	C	C	.	.	H	α-helix	trans	-63.8	-41.6	179.9	-176.1	-76	0	0	0	112.1	P168 F172 W176 S196 A197 H198 Y246	P168-Y194 HydrophobicContact CB-CD1 3.89Å; P168-Y194 HydrophobicContact CB-CE1 3.59Å; P168-Y194 HydrophobicContact CG-CD1 4.1Å; P168-Y194 HydrophobicContact CG-CE1 4.3Å; F172-Y194 HydrophobicContact CB-CD1 3.66Å; F172-Y194 HydrophobicContact CB-CD2 4.44Å; F172-Y194 HydrophobicContact CB-CE1 4.07Å; F172-Y194 HydrophobicContact CB-CG 3.9Å; W176-Y194 VanDerWaalsContact CE3-CB 3.42Å; W176-Y194 HydrophobicContact CE3-CD2 4.36Å; W176-Y194 HydrophobicContact CE3-CG 4.21Å; W176-Y194 AromaticContact CZ3-CD2 3.81Å; W176-Y194 HydrophobicContact CZ3-CD2 3.81Å; W176-Y194 HydrophobicContact CZ3-CG 4.12Å; W176-Y194 PolarHBondContact O-N 2.96Å; Y194-S196 VanDerWaalsContact C-N 3.28Å; Y194-S196 PolarHBondContact O-N 3.03Å; Y194-A197 PolarHBondContact O-N 3Å; Y194-H198 HydrophobicContact CD1-CB 4.22Å; Y194-H198 HydrophobicContact CE1-CB 4.11Å; Y194-H198 WeakPolarHBondContact O-CB 3.39Å; Y194-H198 PolarHBondContact O-N 3.31Å; Y194-Y246 HydrophobicContact CD2-CD1 4.25Å; Y194-Y246 AromaticContact CD2-CD2 3.56Å; Y194-Y246 HydrophobicContact CD2-CD2 3.56Å; Y194-Y246 HydrophobicContact CD2-CE2 4.3Å; Y194-Y246 AromaticContact CD2-CG 3.54Å; Y194-Y246 HydrophobicContact CD2-CG 3.54Å; Y194-Y246 HydrophobicContact CE2-CD2 4.38Å; Y194-Y246 HydrophobicContact CE2-CG 4.12Å; Y194-Y246 HydrophobicContact CG-CD2 4.15Å
195	E	97.9	Very high	95.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.7	-34	-179.2	-166.6	168.2	-175.7	0	0	111.9	R150 L151 R167 P168 Q173 Y174 T193 A199	R150-E195 IonicContact CZ-OE1 3.44Å; R150-E195 IonicContact NE-OE1 3.84Å; R150-E195 PolarHBondContact NE-OE1 3.35Å; R150-E195 IonicContact NH2-OE1 3.17Å; R150-E195 PolarHBondContact NH2-OE1 3Å; L151-E195 HydrophobicContact CD2-CB 3.95Å; L151-E195 HydrophobicContact CD2-CG 3.61Å; R167-E195 IonicContact CZ-OE1 3.74Å; R167-E195 IonicContact CZ-OE2 3.33Å; R167-E195 IonicContact NE-OE1 2.85Å; R167-E195 PolarHBondContact NE-OE1 3.26Å; R167-E195 IonicContact NE-OE2 3.81Å; R167-E195 IonicContact NH2-OE1 2.81Å; R167-E195 PolarHBondContact NH2-OE1 3.22Å; R167-E195 IonicContact NH2-OE2 3.77Å; R167-E195 PolarHBondContact NH2-OE2 2.77Å; P168-E195 HydrophobicContact CG-CB 4.06Å; P168-E195 HydrophobicContact CG-CG 3.88Å; Q173-E195 VanDerWaalsContact CA-OE2 3.28Å; Q173-E195 WeakPolarHBondContact CA-OE2 3.22Å; Q173-E195 VanDerWaalsContact CB-OE2 3.3Å; Q173-E195 WeakPolarHBondContact CB-OE2 3.22Å; Y174-E195 PolarHBondContact N-OE2 3.42Å; T193-E195 PolarHBondContact O-N 3.08Å; E195-A199 WeakPolarHBondContact O-CB 3.39Å; E195-A199 PolarHBondContact O-N 3.01Å
196	S	97.7	Very high	96.1	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.007	14%	0.143	C	C	.	.	H	α-helix	trans	-63.9	-54	171.9	-176.4	0	0	0	0	111	T190 T193 Y194 H198 A199 F200	T190-S196 VanDerWaalsContact O-CB 3.24Å; T190-S196 WeakPolarHBondContact O-CB 3.3Å; T193-S196 PolarHBondContact O-N 2.72Å; T193-S196 VanDerWaalsContact OG1-CB 3.26Å; T193-S196 WeakPolarHBondContact OG1-CB 3.49Å; T193-S196 PolarHBondContact OG1-N 2.9Å; Y194-S196 VanDerWaalsContact C-N 3.28Å; Y194-S196 PolarHBondContact O-N 3.03Å; S196-H198 PolarHBondContact O-N 3.25Å; S196-A199 WeakPolarHBondContact O-CB 3.11Å; S196-A199 PolarHBondContact O-N 2.87Å; S196-F200 WeakPolarHBondContact O-CD2 3.47Å; S196-F200 PolarHBondContact O-N 2.86Å
197	A	97.6	Very high	96.5	Very high	2 Å²	2	31.6 Å²	31.6	2%	0.017	15%	0.153	C	C	.	.	H	α-helix	trans	-57.5	-37.6	178.7	0	0	0	0	0	112.2	T193 Y194 E201 G243 N244 F245 Y246	T193-A197 PolarHBondContact O-N 3.35Å; Y194-A197 PolarHBondContact O-N 3Å; A197-E201 VanDerWaalsContact O-CB 3.26Å; A197-E201 WeakPolarHBondContact O-CB 3.45Å; A197-E201 PolarHBondContact O-N 3.05Å; A197-G243 CarbonylContact O-C 3.38Å; A197-N244 HydrophobicContact CB-CB 4.46Å; A197-N244 PolarHBondContact O-N 3.22Å; A197-F245 HydrophobicContact CB-CD1 4.18Å; A197-F245 HydrophobicContact CB-CE1 3.9Å; A197-Y246 HydrophobicContact CB-CD2 4.33Å; A197-Y246 HydrophobicContact CB-CE2 4.49Å
198	H	98.1	Very high	96.6	Very high	37 Å²	37	31.8 Å²	31.8	17%	0.171	17%	0.168	C	C	.	.	H	α-helix	trans	-65.8	-41	174	174.4	81	0	0	0	113.2	K166 Y194 S196 S202	K166-H198 PolarHBondContact O-NE2 3.23Å; Y194-H198 HydrophobicContact CD1-CB 4.22Å; Y194-H198 HydrophobicContact CE1-CB 4.11Å; Y194-H198 WeakPolarHBondContact O-CB 3.39Å; Y194-H198 PolarHBondContact O-N 3.31Å; S196-H198 PolarHBondContact O-N 3.25Å; H198-S202 WeakPolarHBondContact O-CB 3.43Å; H198-S202 PolarHBondContact O-N 3.19Å; H198-S202 PolarHBondContact O-OG 2.84Å
199	A	98.1	Very high	96.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-65.3	-48.6	178.4	0	0	0	0	0	111.5	L147 L151 M162 I165 E195 S196 S202 I203	L147-A199 HydrophobicContact CD2-CB 4.02Å; L151-A199 HydrophobicContact CD1-CB 4.14Å; M162-A199 HydrophobicContact CE-CB 4.48Å; I165-A199 HydrophobicContact CD1-CB 4.26Å; I165-A199 HydrophobicContact CG2-CB 4.34Å; E195-A199 WeakPolarHBondContact O-CB 3.39Å; E195-A199 PolarHBondContact O-N 3.01Å; S196-A199 WeakPolarHBondContact O-CB 3.11Å; S196-A199 PolarHBondContact O-N 2.87Å; A199-S202 WeakPolarHBondContact O-CB 3.26Å; A199-S202 PolarHBondContact O-N 3.42Å; A199-I203 WeakPolarHBondContact O-CG1 3.31Å; A199-I203 PolarHBondContact O-N 3.14Å
200	F	97.5	Very high	97.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-65	-41.8	177.9	-76.4	-78.2	0	0	0	112.6	L147 Y191 S196 S202 I203 Y204 P241	L147-F200 HydrophobicContact CB-CE2 4.04Å; L147-F200 HydrophobicContact CB-CZ 3.73Å; L147-F200 HydrophobicContact CD1-CE1 4.44Å; L147-F200 HydrophobicContact CD1-CZ 4.44Å; L147-F200 HydrophobicContact CD2-CE2 4.45Å; L147-F200 HydrophobicContact CD2-CZ 4.4Å; L147-F200 HydrophobicContact CG-CZ 4.43Å; Y191-F200 HydrophobicContact CD1-CE2 4.09Å; Y191-F200 AromaticContact CE1-CE2 3.89Å; Y191-F200 HydrophobicContact CE1-CE2 3.89Å; Y191-F200 AromaticContact CE1-CZ 3.95Å; Y191-F200 HydrophobicContact CE1-CZ 3.95Å; S196-F200 WeakPolarHBondContact O-CD2 3.47Å; S196-F200 PolarHBondContact O-N 2.86Å; F200-S202 VanDerWaalsContact C-N 3.27Å; F200-S202 PolarHBondContact O-N 3.45Å; F200-I203 WeakPolarHBondContact O-CB 3.13Å; F200-I203 PolarHBondContact O-N 2.92Å; F200-I203 VanDerWaalsContact O-N 3.17Å; F200-Y204 HydrophobicContact CB-CE2 3.99Å; F200-Y204 HydrophobicContact CD1-CE1 4.49Å; F200-Y204 VanDerWaalsContact O-CD2 3.27Å; F200-Y204 WeakPolarHBondContact O-CD2 3.43Å; F200-Y204 PolarHBondContact O-N 3.06Å; F200-P241 HydrophobicContact CB-CG 4.06Å; F200-P241 HydrophobicContact CD1-CG 3.64Å; F200-P241 HydrophobicContact CD2-CG 3.32Å; F200-P241 VanDerWaalsContact CE1-CD 3.43Å; F200-P241 HydrophobicContact CE1-CG 3.79Å; F200-P241 HydrophobicContact CE2-CG 3.5Å; F200-P241 VanDerWaalsContact CE2-CG 3.5Å; F200-P241 HydrophobicContact CG-CG 3.39Å; F200-P241 HydrophobicContact CZ-CG 3.71Å
201	E	97.1	Very high	97.3	Very high	17 Å²	17	26.8 Å²	26.8	8%	0.079	15%	0.147	C	C	.	.	H	α-helix	trans	-57.8	-41.4	172.1	-173.3	74.1	-163.2	0	0	112.1	A197 I203 Y204 K205 G243 N244 L251	A197-E201 VanDerWaalsContact O-CB 3.26Å; A197-E201 WeakPolarHBondContact O-CB 3.45Å; A197-E201 PolarHBondContact O-N 3.05Å; E201-I203 VanDerWaalsContact C-N 3.32Å; E201-I203 PolarHBondContact O-N 3.5Å; E201-Y204 PolarHBondContact O-N 2.89Å; E201-K205 HydrophobicContact CG-CD 4.1Å; E201-K205 WeakPolarHBondContact O-CB 3.42Å; E201-K205 PolarHBondContact O-N 2.79Å; E201-K205 WeakPolarHBondContact OE1-CD 3.42Å; E201-K205 WeakPolarHBondContact OE1-CE 3.48Å; E201-K205 IonicContact OE1-NZ 3.73Å; E201-K205 PolarHBondContact OE1-NZ 3.22Å; E201-G243 VanDerWaalsContact OE2-CA 3.29Å; E201-G243 WeakPolarHBondContact OE2-CA 3.36Å; E201-N244 HydrophobicContact CB-CB 3.68Å; E201-N244 HydrophobicContact CG-CB 3.82Å; E201-N244 PolarHBondContact OE2-N 3.5Å; E201-L251 WeakPolarHBondContact OE2-CD1 3.4Å
202	S	97.9	Very high	97.4	Very high	8 Å²	8	29.2 Å²	29.2	6%	0.056	16%	0.163	C	C	.	.	H	α-helix	trans	-63.2	-40.2	178.2	-62.6	0	0	0	0	111.5	H198 A199 F200 N206 V207	H198-S202 WeakPolarHBondContact O-CB 3.43Å; H198-S202 PolarHBondContact O-N 3.19Å; H198-S202 PolarHBondContact O-OG 2.84Å; A199-S202 WeakPolarHBondContact O-CB 3.26Å; A199-S202 PolarHBondContact O-N 3.42Å; F200-S202 VanDerWaalsContact C-N 3.27Å; F200-S202 PolarHBondContact O-N 3.45Å; S202-N206 PolarHBondContact O-N 2.87Å; S202-V207 PolarHBondContact O-N 3.49Å
203	I	97.9	Very high	97.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61.7	-54.6	173	-67.2	166.5	0	0	0	109.7	L147 F161 I165 A199 F200 E201 K205 N206 L210 W211 F214 F264	L147-I203 HydrophobicContact CD1-CD1 4.21Å; L147-I203 HydrophobicContact CD2-CD1 3.99Å; F161-I203 HydrophobicContact CE1-CD1 4.28Å; F161-I203 HydrophobicContact CZ-CD1 4.3Å; F161-I203 HydrophobicContact CZ-CG1 4.21Å; I165-I203 HydrophobicContact CD1-CD1 4.46Å; I165-I203 HydrophobicContact CD1-CG1 4.32Å; A199-I203 WeakPolarHBondContact O-CG1 3.31Å; A199-I203 PolarHBondContact O-N 3.14Å; F200-I203 WeakPolarHBondContact O-CB 3.13Å; F200-I203 PolarHBondContact O-N 2.92Å; F200-I203 VanDerWaalsContact O-N 3.17Å; E201-I203 VanDerWaalsContact C-N 3.32Å; E201-I203 PolarHBondContact O-N 3.5Å; I203-K205 PolarHBondContact O-N 3.48Å; I203-N206 PolarHBondContact O-N 3.33Å; I203-L210 HydrophobicContact CG1-CD1 4.34Å; I203-W211 PolarHBondContact O-NE1 3.12Å; I203-F214 HydrophobicContact CD1-CE2 4.24Å; I203-F214 HydrophobicContact CD1-CZ 4.23Å; I203-F214 HydrophobicContact CG1-CE2 4.2Å; I203-F214 HydrophobicContact CG2-CD2 4.4Å; I203-F214 HydrophobicContact CG2-CE2 3.56Å; I203-F214 HydrophobicContact CG2-CZ 3.91Å; I203-F264 HydrophobicContact CG2-CE2 4.37Å; I203-F264 HydrophobicContact CG2-CZ 4.22Å
204	Y	97.1	Very high	97.6	Very high	10 Å²	10	29.6 Å²	29.6	4%	0.039	16%	0.157	C	C	.	.	H	α-helix	trans	-63.1	-30.4	-176.1	-53.7	-29.6	0	0	0	113.2	F200 E201 N206 W211 P240 P241 L261 F264	F200-Y204 HydrophobicContact CB-CE2 3.99Å; F200-Y204 HydrophobicContact CD1-CE1 4.49Å; F200-Y204 VanDerWaalsContact O-CD2 3.27Å; F200-Y204 WeakPolarHBondContact O-CD2 3.43Å; F200-Y204 PolarHBondContact O-N 3.06Å; E201-Y204 PolarHBondContact O-N 2.89Å; Y204-N206 VanDerWaalsContact C-N 3.33Å; Y204-W211 WeakPolarHBondContact O-CZ2 3.18Å; Y204-P240 WeakPolarHBondContact OH-CB 3.31Å; Y204-P241 WeakPolarHBondContact CE2-O 3.38Å; Y204-P241 PolarHBondContact OH-O 3.49Å; Y204-L261 HydrophobicContact CD1-CD2 3.93Å; Y204-L261 HydrophobicContact CE1-CD2 3.37Å; Y204-L261 HydrophobicContact CE1-CG 4.5Å; Y204-L261 HydrophobicContact CE2-CD2 4.3Å; Y204-F264 HydrophobicContact CD1-CD1 4.46Å
205	K	96.3	Very high	97.6	Very high	132 Å²	132	28.4 Å²	28.4	57%	0.574	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88	4.8	176.1	-74.3	-177.9	165.3	157.5	0	114.5	E201 I203 V207	E201-K205 HydrophobicContact CG-CD 4.1Å; E201-K205 WeakPolarHBondContact O-CB 3.42Å; E201-K205 PolarHBondContact O-N 2.79Å; E201-K205 WeakPolarHBondContact OE1-CD 3.42Å; E201-K205 WeakPolarHBondContact OE1-CE 3.48Å; E201-K205 IonicContact OE1-NZ 3.73Å; E201-K205 PolarHBondContact OE1-NZ 3.22Å; I203-K205 PolarHBondContact O-N 3.48Å; K205-V207 HydrophobicContact CB-CG2 4.09Å; K205-V207 PolarHBondContact O-N 2.77Å
206	N	97.6	Very high	97.6	Very high	52 Å²	52	31.4 Å²	31.4	28%	0.278	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	35.8	-177.6	-164.4	18.6	0	0	0	113.3	S202 I203 Y204 S208 G209 L210 W211	S202-N206 PolarHBondContact O-N 2.87Å; I203-N206 PolarHBondContact O-N 3.33Å; Y204-N206 VanDerWaalsContact C-N 3.33Å; N206-S208 PolarHBondContact O-N 3.37Å; N206-G209 PolarHBondContact O-N 2.85Å; N206-G209 WeakPolarHBondContact OD1-CA 3.36Å; N206-L210 PolarHBondContact OD1-N 2.89Å; N206-L210 VanDerWaalsContact OD1-N 3.1Å; N206-W211 HydrophobicContact CB-CB 4.49Å; N206-W211 HydrophobicContact CB-CD2 3.57Å; N206-W211 HydrophobicContact CB-CE3 4.09Å; N206-W211 HydrophobicContact CB-CG 3.71Å; N206-W211 HydrophobicContact CB-CZ2 4.25Å; N206-W211 VanDerWaalsContact OD1-CB 3.23Å; N206-W211 WeakPolarHBondContact OD1-CB 3.5Å; N206-W211 VanDerWaalsContact OD1-CG 3.3Å; N206-W211 PolarHBondContact OD1-N 3.38Å
207	V	97.4	Very high	97.7	Very high	57 Å²	57	31.4 Å²	31.4	35%	0.345	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-56.9	133.9	179.8	174.3	0	0	0	0	108.6	S202 K205 G209 L210	S202-V207 PolarHBondContact O-N 3.49Å; K205-V207 HydrophobicContact CB-CG2 4.09Å; K205-V207 PolarHBondContact O-N 2.77Å; V207-G209 PolarHBondContact O-N 3.46Å; V207-L210 HydrophobicContact CB-CD1 4.37Å; V207-L210 VanDerWaalsContact O-CD1 3.27Å; V207-L210 WeakPolarHBondContact O-CD1 3.42Å; V207-L210 WeakPolarHBondContact O-CG 3.37Å; V207-L210 PolarHBondContact O-N 2.88Å; V207-L210 VanDerWaalsContact O-N 3.17Å
208	S	93.7	Very high	97.7	Very high	92 Å²	92	31.3 Å²	31.3	64%	0.643	17%	0.165	S	C	*	.	G	3₁₀ helix	trans	56.3	20.3	-178.8	-52.5	0	0	0	0	115.2	N206	N206-S208 PolarHBondContact O-N 3.37Å
209	G	97.6	Very high	97.8	Very high	19 Å²	19	34.4 Å²	34.4	20%	0.196	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	75	25.9	-179.3	0	0	0	0	0	114.3	N206 V207 W211 N212	N206-G209 PolarHBondContact O-N 2.85Å; N206-G209 WeakPolarHBondContact OD1-CA 3.36Å; V207-G209 PolarHBondContact O-N 3.46Å; G209-W211 PolarHBondContact O-N 3.06Å; G209-W211 VanDerWaalsContact O-N 3.09Å; G209-N212 VanDerWaalsContact O-CB 3.31Å; G209-N212 WeakPolarHBondContact O-CB 3.32Å; G209-N212 PolarHBondContact O-N 3.38Å
210	L	98.5	Very high	97.8	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52	-31.7	-178.5	-76.7	161.9	0	0	0	114	F161 K164 I165 I203 N206 V207 N212 Y213	F161-L210 HydrophobicContact CD2-CD2 4.24Å; F161-L210 HydrophobicContact CE1-CD2 4.49Å; F161-L210 HydrophobicContact CE2-CD2 3.54Å; F161-L210 HydrophobicContact CZ-CD2 3.69Å; K164-L210 HydrophobicContact CB-CD2 4.01Å; I165-L210 HydrophobicContact CD1-CD1 4.4Å; I165-L210 HydrophobicContact CD1-CD2 4.43Å; I165-L210 HydrophobicContact CG1-CD1 3.91Å; I165-L210 HydrophobicContact CG1-CD2 3.79Å; I203-L210 HydrophobicContact CG1-CD1 4.34Å; N206-L210 PolarHBondContact OD1-N 2.89Å; N206-L210 VanDerWaalsContact OD1-N 3.1Å; V207-L210 HydrophobicContact CB-CD1 4.37Å; V207-L210 VanDerWaalsContact O-CD1 3.27Å; V207-L210 WeakPolarHBondContact O-CD1 3.42Å; V207-L210 WeakPolarHBondContact O-CG 3.37Å; V207-L210 PolarHBondContact O-N 2.88Å; V207-L210 VanDerWaalsContact O-N 3.17Å; L210-N212 PolarHBondContact O-N 2.95Å; L210-Y213 HydrophobicContact CD2-CD2 4.46Å; L210-Y213 PolarHBondContact O-N 3.47Å; L210-Y213 VanDerWaalsContact O-N 3.16Å
211	W	98.4	Very high	97.9	Very high	35 Å²	35	35.8 Å²	35.8	13%	0.133	18%	0.183	C	C	.	.	H	α-helix	trans	-60.4	-27.1	176.9	-69	0.5	0	0	0	113	I203 Y204 N206 G209 Y213 F214 A215 L263 F264 Y267	I203-W211 PolarHBondContact O-NE1 3.12Å; Y204-W211 WeakPolarHBondContact O-CZ2 3.18Å; N206-W211 HydrophobicContact CB-CB 4.49Å; N206-W211 HydrophobicContact CB-CD2 3.57Å; N206-W211 HydrophobicContact CB-CE3 4.09Å; N206-W211 HydrophobicContact CB-CG 3.71Å; N206-W211 HydrophobicContact CB-CZ2 4.25Å; N206-W211 VanDerWaalsContact OD1-CB 3.23Å; N206-W211 WeakPolarHBondContact OD1-CB 3.5Å; N206-W211 VanDerWaalsContact OD1-CG 3.3Å; N206-W211 PolarHBondContact OD1-N 3.38Å; G209-W211 PolarHBondContact O-N 3.06Å; G209-W211 VanDerWaalsContact O-N 3.09Å; W211-Y213 VanDerWaalsContact C-N 3.26Å; W211-Y213 PolarHBondContact O-N 2.8Å; W211-F214 PolarHBondContact O-N 3.16Å; W211-A215 VanDerWaalsContact O-CB 3.29Å; W211-A215 WeakPolarHBondContact O-CB 2.96Å; W211-A215 PolarHBondContact O-N 3.11Å; W211-L263 HydrophobicContact CH2-CB 4.32Å; W211-F264 AromaticContact CD1-CD2 3.52Å; W211-F264 AromaticContact CD1-CE2 3.82Å; W211-F264 HydrophobicContact CD2-CD2 4.24Å; W211-F264 AromaticContact CE2-CD2 3.77Å; W211-F264 HydrophobicContact CG-CD2 4.09Å; W211-F264 HydrophobicContact CG-CE2 4.42Å; W211-F264 HydrophobicContact CZ2-CB 3.92Å; W211-F264 HydrophobicContact CZ2-CD2 4.42Å; W211-F264 AromaticContact NE1-CD2 3.31Å; W211-F264 VanDerWaalsContact NE1-CD2 3.31Å; W211-Y267 HydrophobicContact CB-CD1 3.63Å; W211-Y267 HydrophobicContact CB-CE1 3.46Å; W211-Y267 VanDerWaalsContact CB-CE1 3.46Å; W211-Y267 AromaticContact CD2-CD1 3.97Å; W211-Y267 HydrophobicContact CD2-CD1 3.97Å; W211-Y267 HydrophobicContact CD2-CG 4.14Å; W211-Y267 VanDerWaalsContact CE3-CB 3.49Å; W211-Y267 AromaticContact CE3-CD1 3.62Å; W211-Y267 HydrophobicContact CE3-CD1 3.62Å; W211-Y267 AromaticContact CE3-CD2 3.85Å; W211-Y267 HydrophobicContact CE3-CD2 3.85Å; W211-Y267 HydrophobicContact CE3-CE1 4.3Å; W211-Y267 AromaticContact CE3-CG 3.34Å; W211-Y267 HydrophobicContact CE3-CG 3.34Å; W211-Y267 HydrophobicContact CG-CD1 4.05Å; W211-Y267 HydrophobicContact CG-CE1 4.35Å; W211-Y267 HydrophobicContact CZ3-CD2 4.26Å; W211-Y267 AromaticContact CZ3-CG 3.85Å; W211-Y267 HydrophobicContact CZ3-CG 3.85Å; W211-Y267 WeakPolarHBondContact O-CE1 3.43Å
212	N	98.4	Very high	97.9	Very high	87 Å²	87	35.1 Å²	35.1	47%	0.465	18%	0.18	S	C	.	.	H	α-helix	trans	-64	-31.9	178.2	-69.3	-34.7	0	0	0	112.7	G209 L210 E216 Y267	G209-N212 VanDerWaalsContact O-CB 3.31Å; G209-N212 WeakPolarHBondContact O-CB 3.32Å; G209-N212 PolarHBondContact O-N 3.38Å; L210-N212 PolarHBondContact O-N 2.95Å; N212-E216 WeakPolarHBondContact O-CB 3.45Å; N212-E216 PolarHBondContact O-N 3.06Å; N212-Y267 PolarHBondContact OD1-OH 3.1Å
213	Y	98.2	Very high	97.9	Very high	45 Å²	45	40.9 Å²	40.9	18%	0.176	21%	0.21	C	C	.	.	H	α-helix	trans	-76	-39.1	178.1	-54.6	-79.8	0	0	0	111.5	W106 W160 F161 K164 L210 W211 A215 E216 Y217	W106-Y213 WeakPolarHBondContact CZ2-O 3.48Å; W160-Y213 AromaticContact CH2-CD1 3.96Å; W160-Y213 HydrophobicContact CH2-CD1 3.96Å; W160-Y213 AromaticContact CZ3-CD1 3.49Å; W160-Y213 HydrophobicContact CZ3-CD1 3.49Å; W160-Y213 VanDerWaalsContact CZ3-CD1 3.49Å; W160-Y213 AromaticContact CZ3-CE1 3.87Å; W160-Y213 HydrophobicContact CZ3-CE1 3.87Å; W160-Y213 HydrophobicContact CZ3-CG 4.12Å; F161-Y213 HydrophobicContact CD2-CD2 4.17Å; F161-Y213 HydrophobicContact CD2-CG 4.1Å; F161-Y213 HydrophobicContact CE2-CD2 4.18Å; F161-Y213 HydrophobicContact CE2-CG 4.38Å; K164-Y213 HydrophobicContact CB-CE2 4.47Å; K164-Y213 HydrophobicContact CG-CE2 4.07Å; L210-Y213 HydrophobicContact CD2-CD2 4.46Å; L210-Y213 PolarHBondContact O-N 3.47Å; L210-Y213 VanDerWaalsContact O-N 3.16Å; W211-Y213 VanDerWaalsContact C-N 3.26Å; W211-Y213 PolarHBondContact O-N 2.8Å; Y213-A215 VanDerWaalsContact C-N 3.34Å; Y213-E216 PolarHBondContact O-N 2.94Å; Y213-Y217 PolarHBondContact O-N 2.77Å
214	F	98.5	Very high	98	Very high	1 Å²	1	44.2 Å²	44.2	0%	0.004	22%	0.222	C	C	.	.	H	α-helix	trans	-63.1	-41.7	169.9	-79.8	-91.7	0	0	0	111.5	W106 L142 F161 I203 W211 E216 Y217 W218 I237 F264 L268	W106-F214 HydrophobicContact CH2-CB 4.39Å; W106-F214 AromaticContact CH2-CD1 3.98Å; W106-F214 HydrophobicContact CH2-CD1 3.98Å; W106-F214 AromaticContact CH2-CD2 3.79Å; W106-F214 HydrophobicContact CH2-CD2 3.79Å; W106-F214 HydrophobicContact CH2-CE1 4.22Å; W106-F214 HydrophobicContact CH2-CE2 4.03Å; W106-F214 AromaticContact CH2-CG 3.76Å; W106-F214 HydrophobicContact CH2-CG 3.76Å; W106-F214 HydrophobicContact CH2-CZ 4.24Å; W106-F214 AromaticContact CZ3-CD1 3.68Å; W106-F214 HydrophobicContact CZ3-CD1 3.68Å; W106-F214 HydrophobicContact CZ3-CD2 4.11Å; W106-F214 AromaticContact CZ3-CE1 3.57Å; W106-F214 HydrophobicContact CZ3-CE1 3.57Å; W106-F214 AromaticContact CZ3-CE2 4Å; W106-F214 HydrophobicContact CZ3-CE2 4Å; W106-F214 AromaticContact CZ3-CG 3.96Å; W106-F214 HydrophobicContact CZ3-CG 3.96Å; W106-F214 AromaticContact CZ3-CZ 3.73Å; W106-F214 HydrophobicContact CZ3-CZ 3.73Å; L142-F214 HydrophobicContact CD2-CD1 3.78Å; L142-F214 HydrophobicContact CD2-CE1 3.66Å; F161-F214 HydrophobicContact CE1-CE2 4.49Å; F161-F214 HydrophobicContact CE2-CD2 4.3Å; F161-F214 HydrophobicContact CE2-CE2 4.1Å; F161-F214 HydrophobicContact CZ-CD2 4.25Å; F161-F214 AromaticContact CZ-CE2 3.6Å; F161-F214 HydrophobicContact CZ-CE2 3.6Å; F161-F214 HydrophobicContact CZ-CZ 4.36Å; I203-F214 HydrophobicContact CD1-CE2 4.24Å; I203-F214 HydrophobicContact CD1-CZ 4.23Å; I203-F214 HydrophobicContact CG1-CE2 4.2Å; I203-F214 HydrophobicContact CG2-CD2 4.4Å; I203-F214 HydrophobicContact CG2-CE2 3.56Å; I203-F214 HydrophobicContact CG2-CZ 3.91Å; W211-F214 PolarHBondContact O-N 3.16Å; F214-E216 VanDerWaalsContact C-N 3.28Å; F214-E216 PolarHBondContact O-N 2.88Å; F214-Y217 WeakPolarHBondContact O-CB 3.34Å; F214-Y217 PolarHBondContact O-N 3.32Å; F214-W218 VanDerWaalsContact O-CD1 3.24Å; F214-W218 PolarHBondContact O-N 3.32Å; F214-I237 HydrophobicContact CE1-CD1 4.43Å; F214-F264 HydrophobicContact CB-CE2 4.25Å; F214-F264 HydrophobicContact CB-CZ 4.42Å; F214-F264 HydrophobicContact CD1-CE2 4.35Å; F214-F264 AromaticContact CD1-CZ 3.72Å; F214-F264 HydrophobicContact CD1-CZ 3.72Å; F214-F264 HydrophobicContact CD2-CE2 4.14Å; F214-F264 HydrophobicContact CD2-CZ 4.12Å; F214-F264 AromaticContact CE1-CZ 3.85Å; F214-F264 HydrophobicContact CE1-CZ 3.85Å; F214-F264 HydrophobicContact CE2-CZ 4.24Å; F214-F264 HydrophobicContact CG-CE2 4.02Å; F214-F264 AromaticContact CG-CZ 3.85Å; F214-F264 HydrophobicContact CG-CZ 3.85Å; F214-F264 HydrophobicContact CZ-CZ 4.12Å; F214-L268 HydrophobicContact CB-CD2 3.65Å
215	A	98.5	Very high	98	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-60	-39.7	175	0	0	0	0	0	111.8	W211 Y213 W218 R219 Y267 V271	W211-A215 VanDerWaalsContact O-CB 3.29Å; W211-A215 WeakPolarHBondContact O-CB 2.96Å; W211-A215 PolarHBondContact O-N 3.11Å; Y213-A215 VanDerWaalsContact C-N 3.34Å; A215-W218 PolarHBondContact O-N 2.96Å; A215-R219 WeakPolarHBondContact O-CB 3.48Å; A215-R219 VanDerWaalsContact O-CG 3.27Å; A215-R219 WeakPolarHBondContact O-CG 3.37Å; A215-R219 PolarHBondContact O-N 2.76Å; A215-Y267 HydrophobicContact CB-CE1 3.83Å; A215-V271 HydrophobicContact CB-CB 4.29Å; A215-V271 HydrophobicContact CB-CG1 3.89Å; A215-V271 HydrophobicContact CB-CG2 3.83Å
216	E	98.4	Very high	98	Very high	64 Å²	64	37.8 Å²	37.8	30%	0.299	20%	0.196	S	C	.	.	H	α-helix	trans	-65.6	-46.4	175.8	-171	179.9	-159.9	0	0	112.1	K110 N212 Y213 F214 W218 R219 I220	K110-E216 IonicContact NZ-OE1 3.32Å; K110-E216 PolarHBondContact NZ-OE1 2.55Å; K110-E216 IonicContact NZ-OE2 2.9Å; K110-E216 PolarHBondContact NZ-OE2 3.36Å; N212-E216 WeakPolarHBondContact O-CB 3.45Å; N212-E216 PolarHBondContact O-N 3.06Å; Y213-E216 PolarHBondContact O-N 2.94Å; F214-E216 VanDerWaalsContact C-N 3.28Å; F214-E216 PolarHBondContact O-N 2.88Å; E216-W218 VanDerWaalsContact C-N 3.32Å; E216-W218 PolarHBondContact O-N 3.12Å; E216-R219 PolarHBondContact O-N 3.27Å; E216-I220 HydrophobicContact CG-CD1 4.14Å; E216-I220 WeakPolarHBondContact O-CG1 3.46Å; E216-I220 PolarHBondContact O-N 2.83Å
217	Y	98.7	Very high	97.9	Very high	1 Å²	1	45.2 Å²	45.2	0%	0.004	23%	0.226	C	C	.	.	H	α-helix	trans	-50.2	-54.1	172.2	172.5	-84.1	0	0	0	110.4	F104 W106 L109 L142 Y213 F214 R219 I220 T221	F104-Y217 WeakPolarHBondContact CB-OH 3.44Å; F104-Y217 HydrophobicContact CD1-CE2 4.18Å; F104-Y217 AromaticContact CD1-CZ 3.79Å; F104-Y217 WeakPolarHBondContact CD1-OH 3.01Å; F104-Y217 PolarHBondContact O-OH 2.87Å; W106-Y217 HydrophobicContact CB-CD2 3.93Å; W106-Y217 HydrophobicContact CB-CE2 3.91Å; W106-Y217 AromaticContact CD1-CD2 3.75Å; W106-Y217 AromaticContact CD2-CD2 3.96Å; W106-Y217 HydrophobicContact CD2-CD2 3.96Å; W106-Y217 HydrophobicContact CD2-CG 4.44Å; W106-Y217 AromaticContact CG-CD2 3.63Å; W106-Y217 HydrophobicContact CG-CD2 3.63Å; W106-Y217 HydrophobicContact CG-CE2 4.14Å; L109-Y217 HydrophobicContact CD2-CD2 3.49Å; L109-Y217 VanDerWaalsContact CD2-CD2 3.49Å; L109-Y217 HydrophobicContact CD2-CE2 3.8Å; L109-Y217 HydrophobicContact CD2-CG 4.26Å; L142-Y217 HydrophobicContact CB-CE1 4.16Å; L142-Y217 HydrophobicContact CD1-CE1 4.27Å; L142-Y217 HydrophobicContact CD1-CE2 3.99Å; L142-Y217 HydrophobicContact CD2-CD1 4.37Å; L142-Y217 HydrophobicContact CD2-CE1 4.26Å; L142-Y217 HydrophobicContact CG-CE1 4.46Å; Y213-Y217 PolarHBondContact O-N 2.77Å; F214-Y217 WeakPolarHBondContact O-CB 3.34Å; F214-Y217 PolarHBondContact O-N 3.32Å; Y217-R219 PolarHBondContact O-N 3.38Å; Y217-I220 PolarHBondContact O-N 3.31Å; Y217-T221 PolarHBondContact O-N 3.2Å; Y217-T221 PolarHBondContact O-OG1 2.98Å
218	W	98.8	Very high	97.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-69.2	-30.7	-177.8	-75.6	114.5	0	0	0	114.1	L142 F214 A215 E216 T221 T222 Y234 D235 L236 I272	L142-W218 HydrophobicContact CB-CZ2 3.9Å; F214-W218 VanDerWaalsContact O-CD1 3.24Å; F214-W218 PolarHBondContact O-N 3.32Å; A215-W218 PolarHBondContact O-N 2.96Å; E216-W218 VanDerWaalsContact C-N 3.32Å; E216-W218 PolarHBondContact O-N 3.12Å; W218-T221 HydrophobicContact CE3-CG2 4.07Å; W218-T221 HydrophobicContact CZ3-CG2 3.95Å; W218-T221 PolarHBondContact O-N 3.21Å; W218-T222 WeakPolarHBondContact O-CB 3.22Å; W218-T222 VanDerWaalsContact O-CG2 3.24Å; W218-T222 WeakPolarHBondContact O-CG2 3.28Å; W218-T222 PolarHBondContact O-N 3.03Å; W218-T222 PolarHBondContact O-OG1 3Å; W218-Y234 HydrophobicContact CE3-CD1 4.36Å; W218-Y234 HydrophobicContact CE3-CG 4.28Å; W218-Y234 AromaticContact CZ3-CD1 3.72Å; W218-Y234 HydrophobicContact CZ3-CD1 3.72Å; W218-Y234 AromaticContact CZ3-CG 3.8Å; W218-Y234 HydrophobicContact CZ3-CG 3.8Å; W218-D235 WeakPolarHBondContact CH2-O 3.41Å; W218-D235 WeakPolarHBondContact CZ2-O 3.06Å; W218-L236 HydrophobicContact CD2-CD2 4.45Å; W218-L236 HydrophobicContact CZ2-CD2 4.15Å; W218-L236 WeakPolarHBondContact CZ2-O 3.34Å; W218-I272 HydrophobicContact CB-CD1 4.19Å; W218-I272 HydrophobicContact CB-CG1 3.82Å; W218-I272 HydrophobicContact CD2-CD1 4.02Å; W218-I272 HydrophobicContact CE3-CD1 4.19Å; W218-I272 HydrophobicContact CG-CD1 4.02Å; W218-I272 HydrophobicContact CG-CG1 4.2Å
219	R	98.7	Very high	97.9	Very high	101 Å²	101	44.9 Å²	44.9	38%	0.381	21%	0.207	S	C	.	.	H	α-helix	trans	-63.8	-44.5	171.6	-79.2	-179	-138.8	143.3	3.4	111.4	A215 E216 Y217 T221 T222 D223 V271	A215-R219 WeakPolarHBondContact O-CB 3.48Å; A215-R219 VanDerWaalsContact O-CG 3.27Å; A215-R219 WeakPolarHBondContact O-CG 3.37Å; A215-R219 PolarHBondContact O-N 2.76Å; E216-R219 PolarHBondContact O-N 3.27Å; Y217-R219 PolarHBondContact O-N 3.38Å; R219-T221 VanDerWaalsContact C-N 3.35Å; R219-T222 WeakPolarHBondContact CA-OG1 3.38Å; R219-T222 PolarHBondContact O-N 3.39Å; R219-T222 PolarHBondContact O-OG1 3.01Å; R219-D223 WeakPolarHBondContact O-CB 3.49Å; R219-D223 PolarHBondContact O-N 3.09Å; R219-V271 HydrophobicContact CG-CG1 3.55Å
220	I	98.5	Very high	97.9	Very high	30 Å²	30	44.1 Å²	44.1	15%	0.154	20%	0.198	C	C	.	.	H	α-helix	trans	-62.7	-45.9	177.6	-63.3	162.3	0	0	0	110	L109 T116 I121 E216 Y217 T222 R224	L109-I220 HydrophobicContact CD1-CG2 3.89Å; L109-I220 HydrophobicContact CD2-CD1 4.48Å; L109-I220 HydrophobicContact CD2-CG2 4.42Å; T116-I220 HydrophobicContact CG2-CD1 3.99Å; T116-I220 HydrophobicContact CG2-CG2 4.17Å; I121-I220 HydrophobicContact CD1-CG2 3.6Å; E216-I220 HydrophobicContact CG-CD1 4.14Å; E216-I220 WeakPolarHBondContact O-CG1 3.46Å; E216-I220 PolarHBondContact O-N 2.83Å; Y217-I220 PolarHBondContact O-N 3.31Å; I220-T222 PolarHBondContact O-N 3.03Å; I220-R224 PolarHBondContact O-N 3.5Å
221	T	98.8	Very high	97.9	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-56.8	-50.7	177	-53.3	0	0	0	0	111.9	F104 I140 Y217 W218 R219 F225 Y234	F104-T221 HydrophobicContact CD1-CG2 4.13Å; F104-T221 HydrophobicContact CE1-CG2 4.2Å; F104-T221 VanDerWaalsContact CE1-OG1 3.28Å; F104-T221 WeakPolarHBondContact CE1-OG1 3.33Å; I140-T221 HydrophobicContact CD1-CG2 3.98Å; I140-T221 HydrophobicContact CG2-CG2 4Å; Y217-T221 PolarHBondContact O-N 3.2Å; Y217-T221 PolarHBondContact O-OG1 2.98Å; W218-T221 HydrophobicContact CE3-CG2 4.07Å; W218-T221 HydrophobicContact CZ3-CG2 3.95Å; W218-T221 PolarHBondContact O-N 3.21Å; R219-T221 VanDerWaalsContact C-N 3.35Å; T221-F225 HydrophobicContact CG2-CD2 3.81Å; T221-F225 HydrophobicContact CG2-CE2 4.35Å; T221-F225 WeakPolarHBondContact O-CB 3.4Å; T221-F225 WeakPolarHBondContact O-CD2 3.16Å; T221-F225 WeakPolarHBondContact O-CG 3.45Å; T221-F225 PolarHBondContact O-N 3.23Å; T221-Y234 HydrophobicContact CG2-CD1 4.24Å; T221-Y234 HydrophobicContact CG2-CE1 4.03Å
222	T	98.6	Very high	97.9	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.018	19%	0.193	C	C	.	.	H	α-helix	trans	-75.2	-36.5	-174.2	50.6	0	0	0	0	113	W218 R219 I220 R224 G226 Y234 I272 T275 D276	W218-T222 WeakPolarHBondContact O-CB 3.22Å; W218-T222 VanDerWaalsContact O-CG2 3.24Å; W218-T222 WeakPolarHBondContact O-CG2 3.28Å; W218-T222 PolarHBondContact O-N 3.03Å; W218-T222 PolarHBondContact O-OG1 3Å; R219-T222 WeakPolarHBondContact CA-OG1 3.38Å; R219-T222 PolarHBondContact O-N 3.39Å; R219-T222 PolarHBondContact O-OG1 3.01Å; I220-T222 PolarHBondContact O-N 3.03Å; T222-R224 VanDerWaalsContact C-N 3.32Å; T222-R224 PolarHBondContact O-N 2.66Å; T222-G226 WeakPolarHBondContact O-CA 3.13Å; T222-G226 PolarHBondContact O-N 3.12Å; T222-Y234 HydrophobicContact CG2-CD2 4.34Å; T222-Y234 HydrophobicContact CG2-CE1 4.43Å; T222-Y234 HydrophobicContact CG2-CE2 3.65Å; T222-I272 HydrophobicContact CG2-CB 4.25Å; T222-I272 HydrophobicContact CG2-CG1 4.06Å; T222-I272 HydrophobicContact CG2-CG2 3.79Å; T222-T275 VanDerWaalsContact CB-OG1 3.24Å; T222-T275 WeakPolarHBondContact CB-OG1 3.41Å; T222-T275 PolarHBondContact OG1-OG1 2.71Å; T222-D276 HydrophobicContact CG2-CB 4.27Å
223	D	98	Very high	98	Very high	129 Å²	129	38.5 Å²	38.5	69%	0.69	17%	0.17	S	C	*	.	H	α-helix	trans	-61.2	-42.1	174.8	-175.1	63	0	0	0	111.2	R219	R219-D223 WeakPolarHBondContact O-CB 3.49Å; R219-D223 PolarHBondContact O-N 3.09Å
224	R	98.3	Very high	98	Very high	69 Å²	69	36.3 Å²	36.3	26%	0.26	16%	0.162	S	C	.	.	H	α-helix	trans	-76.6	-49.7	177.7	-174.3	66.9	77.8	110	5.3	113.1	I121 D122 E125 I220 T222	I121-R224 HydrophobicContact CG2-CB 4.1Å; I121-R224 HydrophobicContact CG2-CG 3.53Å; D122-R224 IonicContact OD1-CZ 3.36Å; D122-R224 IonicContact OD1-NH1 3.93Å; D122-R224 PolarHBondContact OD1-NH1 2.86Å; D122-R224 IonicContact OD1-NH2 3.51Å; D122-R224 PolarHBondContact OD1-NH2 2.85Å; E125-R224 IonicContact OE2-CZ 3.32Å; E125-R224 IonicContact OE2-NH1 2.71Å; E125-R224 PolarHBondContact OE2-NH1 3.32Å; I220-R224 PolarHBondContact O-N 3.5Å; T222-R224 VanDerWaalsContact C-N 3.32Å; T222-R224 PolarHBondContact O-N 2.66Å
225	F	98.4	Very high	98	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-103.6	-12.8	-164.5	-50.8	-52.2	0	0	0	114.6	F104 I121 I124 E125 I128 I140 T221 K227 K228 V231	F104-F225 HydrophobicContact CD1-CE2 4.34Å; F104-F225 AromaticContact CE1-CE2 3.82Å; F104-F225 HydrophobicContact CE1-CE2 3.82Å; F104-F225 HydrophobicContact CE2-CE2 4.36Å; F104-F225 AromaticContact CZ-CE2 3.81Å; F104-F225 HydrophobicContact CZ-CE2 3.81Å; F104-F225 HydrophobicContact CZ-CZ 4.26Å; I121-F225 HydrophobicContact CG2-CE1 4.32Å; I121-F225 HydrophobicContact CG2-CZ 3.99Å; I124-F225 HydrophobicContact CB-CZ 4.1Å; I124-F225 HydrophobicContact CG2-CE1 4.32Å; I124-F225 HydrophobicContact CG2-CE2 4.14Å; I124-F225 HydrophobicContact CG2-CZ 3.7Å; E125-F225 HydrophobicContact CB-CE1 3.89Å; E125-F225 HydrophobicContact CG-CE1 4.38Å; I128-F225 HydrophobicContact CD1-CB 4.47Å; I128-F225 HydrophobicContact CD1-CD1 3.64Å; I128-F225 HydrophobicContact CD1-CD2 4.34Å; I128-F225 HydrophobicContact CD1-CE1 3.87Å; I128-F225 HydrophobicContact CD1-CG 3.91Å; I128-F225 HydrophobicContact CD1-CZ 4.32Å; I140-F225 HydrophobicContact CD1-CB 4.03Å; I140-F225 HydrophobicContact CD1-CD2 3.56Å; I140-F225 HydrophobicContact CD1-CE2 4.29Å; I140-F225 HydrophobicContact CD1-CG 4.01Å; T221-F225 HydrophobicContact CG2-CD2 3.81Å; T221-F225 HydrophobicContact CG2-CE2 4.35Å; T221-F225 WeakPolarHBondContact O-CB 3.4Å; T221-F225 WeakPolarHBondContact O-CD2 3.16Å; T221-F225 WeakPolarHBondContact O-CG 3.45Å; T221-F225 PolarHBondContact O-N 3.23Å; F225-K227 PolarHBondContact O-N 3.46Å; F225-K227 VanDerWaalsContact O-N 3.12Å; F225-K228 VanDerWaalsContact O-CB 3.29Å; F225-K228 WeakPolarHBondContact O-CB 3.3Å; F225-K228 WeakPolarHBondContact O-CG 3.07Å; F225-K228 PolarHBondContact O-N 3.17Å; F225-V231 HydrophobicContact CB-CG2 4.3Å
226	G	96.2	Very high	98	Very high	7 Å²	7	36.3 Å²	36.3	7%	0.072	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-30.9	-170.4	0	0	0	0	0	114.8	K46 T222 K228 Y234 D276	K46-G226 VanDerWaalsContact CE-O 3.25Å; K46-G226 WeakPolarHBondContact CE-O 3.4Å; K46-G226 PolarHBondContact NZ-O 3.11Å; T222-G226 WeakPolarHBondContact O-CA 3.13Å; T222-G226 PolarHBondContact O-N 3.12Å; G226-K228 VanDerWaalsContact C-N 3.34Å; G226-K228 PolarHBondContact O-N 2.91Å; G226-Y234 VanDerWaalsContact CA-OH 3.31Å; G226-Y234 WeakPolarHBondContact CA-OH 3.38Å; G226-D276 WeakPolarHBondContact CA-OD2 3.43Å
227	K	95.7	Very high	98	Very high	208 Å²	208	33.4 Å²	33.4	90%	0.904	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-8.3	177.8	-64.3	178.8	-176.5	169.5	0	114.5	F225 Y229	F225-K227 PolarHBondContact O-N 3.46Å; F225-K227 VanDerWaalsContact O-N 3.12Å; K227-Y229 PolarHBondContact O-N 2.83Å
228	K	96.9	Very high	97.9	Very high	39 Å²	39	33.4 Å²	33.4	17%	0.17	15%	0.148	C	C	.	.			trans	-73.9	118.7	179.4	-60.3	-76.2	-176.9	172.2	0	109.3	K46 E125 I128 D129 F225 G226 N230 V231	K46-K228 PolarHBondContact NZ-O 2.94Å; E125-K228 WeakPolarHBondContact OE1-CE 3.44Å; E125-K228 IonicContact OE1-NZ 3.96Å; E125-K228 PolarHBondContact OE1-NZ 2.8Å; I128-K228 HydrophobicContact CG2-CB 4.27Å; I128-K228 HydrophobicContact CG2-CG 4.27Å; D129-K228 VanDerWaalsContact CG-NZ 3.28Å; D129-K228 WeakPolarHBondContact OD1-CE 3.26Å; D129-K228 IonicContact OD1-NZ 2.93Å; D129-K228 PolarHBondContact OD1-NZ 3.2Å; D129-K228 IonicContact OD2-NZ 2.76Å; D129-K228 PolarHBondContact OD2-NZ 2.79Å; D129-K228 VanDerWaalsContact OD2-NZ 3.13Å; F225-K228 VanDerWaalsContact O-CB 3.29Å; F225-K228 WeakPolarHBondContact O-CB 3.3Å; F225-K228 WeakPolarHBondContact O-CG 3.07Å; F225-K228 PolarHBondContact O-N 3.17Å; G226-K228 VanDerWaalsContact C-N 3.34Å; G226-K228 PolarHBondContact O-N 2.91Å; K228-N230 PolarHBondContact O-N 2.93Å; K228-V231 HydrophobicContact CB-CB 4.41Å; K228-V231 HydrophobicContact CB-CG2 3.71Å; K228-V231 HydrophobicContact CG-CG2 4.45Å; K228-V231 PolarHBondContact O-N 3.1Å
229	Y	94.4	Very high	97.8	Very high	104 Å²	104	34.8 Å²	34.8	41%	0.408	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-32.1	-175.6	72.3	-87	0	0	0	113.1	G132 K227	G132-Y229 WeakPolarHBondContact CA-OH 3.49Å; G132-Y229 PolarHBondContact O-OH 2.85Å; K227-Y229 PolarHBondContact O-N 2.83Å
230	N	97.3	Very high	97.7	Very high	3 Å²	3	30 Å²	30	2%	0.016	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	0.2	-177.8	69.8	-51.2	0	0	0	113.6	I128 G132 V136 Y137 I138 K228 L232	I128-N230 PolarHBondContact O-ND2 3.43Å; G132-N230 WeakPolarHBondContact CA-ND2 3.29Å; G132-N230 PolarHBondContact N-ND2 3.42Å; G132-N230 VanDerWaalsContact N-ND2 3.2Å; V136-N230 PolarHBondContact O-ND2 2.9Å; Y137-N230 CarbonylContact C-O 3.56Å; Y137-N230 WeakPolarHBondContact CA-O 3.23Å; Y137-N230 WeakPolarHBondContact CD1-O 3.23Å; I138-N230 PolarHBondContact N-O 2.89Å; K228-N230 PolarHBondContact O-N 2.93Å; N230-L232 PolarHBondContact O-N 2.93Å
231	V	98.6	Very high	97.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	105	164.9	176.6	0	0	0	0	107.2	K46 I128 I138 I140 F225 K228 Y234 T279	K46-V231 PolarHBondContact NZ-O 2.65Å; I128-V231 HydrophobicContact CD1-CG2 4.36Å; I128-V231 HydrophobicContact CG2-CG2 3.89Å; I138-V231 CarbonylContact O-C 3.51Å; I138-V231 WeakPolarHBondContact O-CA 3.38Å; I140-V231 HydrophobicContact CD1-CG1 4.14Å; I140-V231 HydrophobicContact CD1-CG2 4.41Å; I140-V231 HydrophobicContact CG1-CG1 4.35Å; F225-V231 HydrophobicContact CB-CG2 4.3Å; K228-V231 HydrophobicContact CB-CB 4.41Å; K228-V231 HydrophobicContact CB-CG2 3.71Å; K228-V231 HydrophobicContact CG-CG2 4.45Å; K228-V231 PolarHBondContact O-N 3.1Å; V231-Y234 HydrophobicContact CG1-CE1 3.92Å; V231-T279 HydrophobicContact CG1-CG2 3.95Å
232	L	98.7	Very high	97.3	Very high	4 Å²	4	30 Å²	30	2%	0.021	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	-43.7	-179.3	179.8	61.7	0	0	0	110.8	V47 F56 F66 V99 Y137 I138 I139 N230 L280 F282 F371	V47-L232 HydrophobicContact CB-CD1 3.76Å; V47-L232 HydrophobicContact CG1-CD1 3.85Å; V47-L232 HydrophobicContact CG2-CD1 4.14Å; F56-L232 HydrophobicContact CD1-CD1 4.48Å; F66-L232 HydrophobicContact CD1-CD2 4.38Å; F66-L232 HydrophobicContact CD2-CD2 4.17Å; F66-L232 HydrophobicContact CE1-CD1 4.49Å; F66-L232 HydrophobicContact CE1-CD2 4.28Å; F66-L232 HydrophobicContact CE2-CD1 4.09Å; F66-L232 HydrophobicContact CE2-CD2 4.05Å; F66-L232 HydrophobicContact CG-CD2 4.33Å; F66-L232 HydrophobicContact CZ-CD1 3.82Å; F66-L232 HydrophobicContact CZ-CD2 4.11Å; V99-L232 HydrophobicContact CG2-CD2 4.03Å; Y137-L232 HydrophobicContact CD1-CB 3.99Å; Y137-L232 HydrophobicContact CD1-CD1 4.34Å; Y137-L232 HydrophobicContact CG-CB 4.42Å; I138-L232 PolarHBondContact O-N 3.42Å; I139-L232 HydrophobicContact CD1-CD2 4.24Å; I139-L232 HydrophobicContact CG1-CB 4.31Å; I139-L232 HydrophobicContact CG1-CD2 4Å; I139-L232 HydrophobicContact CG1-CG 4.45Å; N230-L232 PolarHBondContact O-N 2.93Å; L232-L280 HydrophobicContact CD1-CD1 3.8Å; L232-L280 HydrophobicContact CG-CD1 4.25Å; L232-L280 VanDerWaalsContact O-CB 3.24Å; L232-L280 WeakPolarHBondContact O-CB 3.45Å; L232-L280 WeakPolarHBondContact O-CG 3.44Å; L232-L280 PolarHBondContact O-N 2.69Å; L232-F282 HydrophobicContact CD2-CZ 4.12Å; L232-F282 HydrophobicContact CG-CE2 4.29Å; L232-F282 HydrophobicContact CG-CZ 4.26Å; L232-F371 HydrophobicContact CD2-CE2 4.39Å
233	G	98.8	Very high	97.1	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.6	176.1	-175.2	0	0	0	0	0	115.9	I139 I140 L280	I139-G233 WeakPolarHBondContact CA-O 3.29Å; I140-G233 PolarHBondContact N-O 3.25Å; G233-L280 CarbonylContact C-O 3.57Å; G233-L280 WeakPolarHBondContact CA-O 3.42Å
234	Y	98.9	Very high	97	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	112.1	178.3	-57.6	-51.8	0	0	0	109.8	I140 W218 T221 T222 G226 V231 L236 I272 D276 T279 L280 I281 F282	I140-Y234 HydrophobicContact CB-CD1 4.23Å; I140-Y234 HydrophobicContact CD1-CD1 4.46Å; I140-Y234 HydrophobicContact CD1-CE1 4.15Å; I140-Y234 CarbonylContact O-C 3.35Å; W218-Y234 HydrophobicContact CE3-CD1 4.36Å; W218-Y234 HydrophobicContact CE3-CG 4.28Å; W218-Y234 AromaticContact CZ3-CD1 3.72Å; W218-Y234 HydrophobicContact CZ3-CD1 3.72Å; W218-Y234 AromaticContact CZ3-CG 3.8Å; W218-Y234 HydrophobicContact CZ3-CG 3.8Å; T221-Y234 HydrophobicContact CG2-CD1 4.24Å; T221-Y234 HydrophobicContact CG2-CE1 4.03Å; T222-Y234 HydrophobicContact CG2-CD2 4.34Å; T222-Y234 HydrophobicContact CG2-CE1 4.43Å; T222-Y234 HydrophobicContact CG2-CE2 3.65Å; G226-Y234 VanDerWaalsContact CA-OH 3.31Å; G226-Y234 WeakPolarHBondContact CA-OH 3.38Å; V231-Y234 HydrophobicContact CG1-CE1 3.92Å; Y234-L236 PolarHBondContact O-N 3.06Å; Y234-I272 HydrophobicContact CD2-CG2 4.04Å; Y234-I272 HydrophobicContact CE2-CG2 4.07Å; Y234-D276 HydrophobicContact CE2-CB 4.47Å; Y234-D276 PolarHBondContact OH-OD2 2.94Å; Y234-T279 HydrophobicContact CD2-CG2 3.83Å; Y234-T279 HydrophobicContact CE1-CG2 4.21Å; Y234-T279 HydrophobicContact CE2-CG2 3.44Å; Y234-T279 VanDerWaalsContact CE2-CG2 3.44Å; Y234-T279 HydrophobicContact CG-CG2 4.38Å; Y234-L280 PolarHBondContact N-O 2.93Å; Y234-I281 HydrophobicContact CD2-CD1 4.21Å; Y234-F282 WeakPolarHBondContact O-CA 3.46Å; Y234-F282 WeakPolarHBondContact O-CB 3.33Å; Y234-F282 PolarHBondContact O-N 3.48Å; Y234-F282 VanDerWaalsContact O-O 3.09Å
235	D	98.8	Very high	96.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	108	173	-155.1	-8.2	0	0	0	109.5	R101 I139 I140 D141 L142 W218 I237 F282 S322	R101-D235 IonicContact CZ-OD2 3.03Å; R101-D235 VanDerWaalsContact CZ-OD2 3.27Å; R101-D235 IonicContact NE-OD2 2.62Å; R101-D235 PolarHBondContact NE-OD2 2.8Å; R101-D235 IonicContact NH2-OD2 2.76Å; R101-D235 PolarHBondContact NH2-OD2 2.85Å; I139-D235 HydrophobicContact CG2-CB 4.01Å; I140-D235 PolarHBondContact O-N 3.25Å; D141-D235 HydrophobicContact CB-CB 4.12Å; L142-D235 PolarHBondContact N-O 3.28Å; W218-D235 WeakPolarHBondContact CH2-O 3.41Å; W218-D235 WeakPolarHBondContact CZ2-O 3.06Å; D235-I237 VanDerWaalsContact C-N 3.34Å; D235-I237 PolarHBondContact O-N 3.29Å; D235-F282 HydrophobicContact CB-CB 3.94Å; D235-S322 PolarHBondContact OD2-OG 2.74Å; D235-S322 VanDerWaalsContact OD2-OG 3.14Å
236	L	98.7	Very high	96.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.117	C	C	.	.			trans	-65.4	-36.8	-160.7	-70.1	-177.8	0	0	0	113.5	W218 Y234 Y265 L268 V269 I272 I281 F282	W218-L236 HydrophobicContact CD2-CD2 4.45Å; W218-L236 HydrophobicContact CZ2-CD2 4.15Å; W218-L236 WeakPolarHBondContact CZ2-O 3.34Å; Y234-L236 PolarHBondContact O-N 3.06Å; L236-Y265 HydrophobicContact CB-CD1 4.19Å; L236-Y265 HydrophobicContact CB-CE1 4.08Å; L236-Y265 HydrophobicContact CD1-CD1 3.57Å; L236-Y265 HydrophobicContact CD1-CE1 4.23Å; L236-Y265 HydrophobicContact CD1-CG 3.82Å; L236-L268 HydrophobicContact CB-CD1 4.44Å; L236-L268 HydrophobicContact CD2-CB 4.35Å; L236-L268 HydrophobicContact CD2-CD1 4.31Å; L236-V269 HydrophobicContact CD1-CG2 4.39Å; L236-I272 HydrophobicContact CD2-CD1 3.56Å; L236-I281 HydrophobicContact CD1-CG2 3.68Å; L236-I281 HydrophobicContact CD2-CG2 4.32Å; L236-I281 HydrophobicContact CG-CG2 3.92Å; L236-F282 WeakPolarHBondContact CG-O 3.11Å; L236-F282 PolarHBondContact N-O 3.14Å
237	I	97.9	Very high	96.8	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.015	14%	0.144	C	C	.	.			trans	-167.5	129.2	175.1	-172.5	169.8	0	0	0	108.7	Q144 F214 D235 P240 F264 Y265	Q144-I237 HydrophobicContact CG-CD1 4.37Å; Q144-I237 HydrophobicContact CG-CG1 4.01Å; F214-I237 HydrophobicContact CE1-CD1 4.43Å; D235-I237 VanDerWaalsContact C-N 3.34Å; D235-I237 PolarHBondContact O-N 3.29Å; I237-P240 HydrophobicContact CG2-CB 4.13Å; I237-P240 HydrophobicContact CG2-CG 4.26Å; I237-F264 HydrophobicContact CG2-CE1 4.45Å; I237-Y265 HydrophobicContact CG2-CE1 3.75Å; I237-Y265 WeakPolarHBondContact CG2-OH 3.43Å
238	N	97.8	Very high	96.8	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	12%	0.115	C	C	.	.	S	Bend	trans	-69.8	135.5	175.5	-174.7	79.1	0	0	0	112.1	R101 L142 H143 Q144 H324 E374	R101-N238 PolarHBondContact NH1-OD1 2.97Å; R101-N238 PolarHBondContact NH2-OD1 3.09Å; L142-N238 PolarHBondContact O-N 2.8Å; L142-N238 VanDerWaalsContact O-N 3.14Å; H143-N238 VanDerWaalsContact CE1-CG 3.41Å; H143-N238 PolarHBondContact CE1-ND2 2.79Å; H143-N238 VanDerWaalsContact CE1-ND2 3.32Å; H143-N238 PolarHBondContact CE1-OD1 2.98Å; H143-N238 PolarHBondContact ND1-OD1 3.49Å; Q144-N238 VanDerWaalsContact CG-O 3.29Å; Q144-N238 WeakPolarHBondContact CG-O 3.35Å; Q144-N238 PolarHBondContact NE2-O 3.49Å; Q144-N238 PolarHBondContact O-ND2 3.46Å; N238-H324 PolarHBondContact OD1-CE1 3.44Å; N238-H324 VanDerWaalsContact OD1-CE1 3.25Å; N238-E374 PolarHBondContact OD1-OE1 2.94Å
239	E	95.7	Very high	96.7	Very high	30 Å²	30	26.8 Å²	26.8	14%	0.14	13%	0.134	C	C	.	.	S	Bend	trans	41.1	57	170.4	-62.3	-161.6	157.4	0	0	116	Q144 P241 E284 T287 H324	Q144-E239 PolarHBondContact NE2-O 3.25Å; E239-P241 WeakPolarHBondContact O-CD 3.35Å; E239-E284 WeakPolarHBondContact CA-OE2 3.28Å; E239-E284 PolarHBondContact N-OE2 3.46Å; E239-T287 HydrophobicContact CG-CG2 4.22Å; E239-H324 VanDerWaalsContact CG-CE1 3.44Å; E239-H324 WeakPolarHBondContact CG-CE1 3.34Å; E239-H324 WeakPolarHBondContact CG-ND1 3.33Å; E239-H324 IonicContact OE1-CE1 3.35Å; E239-H324 IonicContact OE1-CG 3.56Å; E239-H324 IonicContact OE1-ND1 3.72Å; E239-H324 PolarHBondContact OE1-ND1 2.87Å
240	P	95.9	Very high	96.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-63.6	125.9	-179.4	27.3	-35.3	0	0	0	111.5	Y204 I237 L261 E284 S285 V286	Y204-P240 WeakPolarHBondContact OH-CB 3.31Å; I237-P240 HydrophobicContact CG2-CB 4.13Å; I237-P240 HydrophobicContact CG2-CG 4.26Å; P240-L261 HydrophobicContact CB-CD1 4.13Å; P240-L261 HydrophobicContact CB-CD2 3.68Å; P240-L261 HydrophobicContact CG-CD1 3.9Å; P240-L261 HydrophobicContact CG-CD2 4.1Å; P240-E284 HydrophobicContact CG-CB 4.2Å; P240-S285 WeakPolarHBondContact CG-O 3.28Å; P240-V286 WeakPolarHBondContact O-CA 3.4Å
241	P	95.7	Very high	96.5	Very high	13 Å²	13	28.1 Å²	28.1	8%	0.084	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-77	164.7	177.3	32.4	-36.9	0	0	0	112.1	Y191 F200 Y204 E239	Y191-P241 HydrophobicContact CD1-CB 3.81Å; Y191-P241 HydrophobicContact CD1-CG 3.77Å; Y191-P241 HydrophobicContact CE1-CB 4.2Å; Y191-P241 HydrophobicContact CE1-CG 3.87Å; F200-P241 HydrophobicContact CB-CG 4.06Å; F200-P241 HydrophobicContact CD1-CG 3.64Å; F200-P241 HydrophobicContact CD2-CG 3.32Å; F200-P241 VanDerWaalsContact CE1-CD 3.43Å; F200-P241 HydrophobicContact CE1-CG 3.79Å; F200-P241 HydrophobicContact CE2-CG 3.5Å; F200-P241 VanDerWaalsContact CE2-CG 3.5Å; F200-P241 HydrophobicContact CG-CG 3.39Å; F200-P241 HydrophobicContact CZ-CG 3.71Å; Y204-P241 WeakPolarHBondContact CE2-O 3.38Å; Y204-P241 PolarHBondContact OH-O 3.49Å; E239-P241 WeakPolarHBondContact O-CD 3.35Å
242	P	93	Very high	96.2	Very high	18 Å²	18	31.5 Å²	31.5	12%	0.117	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-60.2	143.7	164.7	30.8	-36.8	0	0	0	108.6	F245 L251 A257 V286 Y288	P242-F245 HydrophobicContact CG-CD1 4.36Å; P242-L251 WeakPolarHBondContact CB-O 3.47Å; P242-A257 HydrophobicContact CB-CB 4.27Å; P242-V286 HydrophobicContact CB-CG1 4.44Å; P242-Y288 WeakPolarHBondContact CB-OH 3.37Å; P242-Y288 HydrophobicContact CG-CE1 4.29Å; P242-Y288 VanDerWaalsContact CG-OH 3.3Å; P242-Y288 WeakPolarHBondContact CG-OH 3.46Å
243	G	94.8	Very high	95.8	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.01	18%	0.183	C	C	.	.			trans	-63.7	-144.2	179	0	0	0	0	0	113.7	A197 E201 F245	A197-G243 CarbonylContact O-C 3.38Å; E201-G243 VanDerWaalsContact OE2-CA 3.29Å; E201-G243 WeakPolarHBondContact OE2-CA 3.36Å; G243-F245 VanDerWaalsContact C-N 3.33Å; G243-F245 WeakPolarHBondContact O-CD1 3.49Å; G243-F245 PolarHBondContact O-N 3.06Å
244	N	96.5	Very high	95.2	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	18%	0.184	C	C	.	.			trans	-77.6	80.8	-171.9	-165.5	-28.1	0	0	0	112.2	A197 E201 Y246 L247 N248	A197-N244 HydrophobicContact CB-CB 4.46Å; A197-N244 PolarHBondContact O-N 3.22Å; E201-N244 HydrophobicContact CB-CB 3.68Å; E201-N244 HydrophobicContact CG-CB 3.82Å; E201-N244 PolarHBondContact OE2-N 3.5Å; N244-Y246 PolarHBondContact O-N 3.21Å; N244-Y246 WeakPolarHBondContact OD1-CB 3.09Å; N244-Y246 PolarHBondContact OD1-N 3.37Å; N244-L247 PolarHBondContact O-N 3.36Å; N244-L247 VanDerWaalsContact O-N 3.13Å; N244-L247 PolarHBondContact OD1-N 2.88Å; N244-N248 PolarHBondContact O-N 3.14Å
245	F	96.2	Very high	94.6	Very high	44 Å²	44	38.4 Å²	38.4	19%	0.193	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-12.1	179.2	59.8	-97.2	0	0	0	114	A197 P242 G243 N248 P249 L251 V252	A197-F245 HydrophobicContact CB-CD1 4.18Å; A197-F245 HydrophobicContact CB-CE1 3.9Å; P242-F245 HydrophobicContact CG-CD1 4.36Å; G243-F245 VanDerWaalsContact C-N 3.33Å; G243-F245 WeakPolarHBondContact O-CD1 3.49Å; G243-F245 PolarHBondContact O-N 3.06Å; F245-N248 WeakPolarHBondContact CA-O 3.2Å; F245-N248 CarbonylContact O-C 3.53Å; F245-P249 WeakPolarHBondContact O-CA 3.37Å; F245-P249 VanDerWaalsContact O-N 3.13Å; F245-L251 HydrophobicContact CB-CB 4.37Å; F245-V252 HydrophobicContact CB-CG2 3.75Å; F245-V252 HydrophobicContact CG-CG2 4.21Å
246	Y	96.8	Very high	94.1	Very high	73 Å²	73	40.6 Å²	40.6	29%	0.286	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-38	170.2	-65.9	-85.2	0	0	0	112.2	W176 P177 A192 Y194 A197 N244	W176-Y246 AromaticContact CH2-CD1 3.95Å; W176-Y246 HydrophobicContact CH2-CD1 3.95Å; W176-Y246 AromaticContact CH2-CE1 3.8Å; W176-Y246 HydrophobicContact CH2-CE1 3.8Å; W176-Y246 AromaticContact CZ3-CD1 3.77Å; W176-Y246 HydrophobicContact CZ3-CD1 3.77Å; W176-Y246 AromaticContact CZ3-CE1 3.51Å; W176-Y246 HydrophobicContact CZ3-CE1 3.51Å; W176-Y246 HydrophobicContact CZ3-CE2 4.44Å; W176-Y246 HydrophobicContact CZ3-CG 4.35Å; W176-Y246 AromaticContact CZ3-CZ 3.88Å; P177-Y246 WeakPolarHBondContact CD-OH 3.47Å; P177-Y246 WeakPolarHBondContact CG-OH 3.46Å; A192-Y246 PolarHBondContact O-OH 3.1Å; Y194-Y246 HydrophobicContact CD2-CD1 4.25Å; Y194-Y246 AromaticContact CD2-CD2 3.56Å; Y194-Y246 HydrophobicContact CD2-CD2 3.56Å; Y194-Y246 HydrophobicContact CD2-CE2 4.3Å; Y194-Y246 AromaticContact CD2-CG 3.54Å; Y194-Y246 HydrophobicContact CD2-CG 3.54Å; Y194-Y246 HydrophobicContact CE2-CD2 4.38Å; Y194-Y246 HydrophobicContact CE2-CG 4.12Å; Y194-Y246 HydrophobicContact CG-CD2 4.15Å; A197-Y246 HydrophobicContact CB-CD2 4.33Å; A197-Y246 HydrophobicContact CB-CE2 4.49Å; N244-Y246 PolarHBondContact O-N 3.21Å; N244-Y246 WeakPolarHBondContact OD1-CB 3.09Å; N244-Y246 PolarHBondContact OD1-N 3.37Å
247	L	95.7	Very high	93.8	Very high	123 Å²	123	40.7 Å²	40.7	64%	0.644	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-32.3	176.6	-65.2	-178.2	0	0	0	111.9	N244	N244-L247 PolarHBondContact O-N 3.36Å; N244-L247 VanDerWaalsContact O-N 3.13Å; N244-L247 PolarHBondContact OD1-N 2.88Å
248	N	96	Very high	93.5	Very high	56 Å²	56	40.6 Å²	40.6	30%	0.299	21%	0.211	S	C	.	.			trans	-136.9	91.5	175.3	-179.3	9.4	0	0	0	110.9	N244 F245 F250 L251	N244-N248 PolarHBondContact O-N 3.14Å; F245-N248 WeakPolarHBondContact CA-O 3.2Å; F245-N248 CarbonylContact O-C 3.53Å; N248-F250 PolarHBondContact O-N 2.68Å; N248-F250 WeakPolarHBondContact OD1-CB 3.5Å; N248-F250 WeakPolarHBondContact OD1-CD2 3.22Å; N248-F250 PolarHBondContact OD1-N 3.35Å; N248-L251 HydrophobicContact CB-CD1 3.96Å; N248-L251 HydrophobicContact CB-CG 4.11Å; N248-L251 WeakPolarHBondContact O-CB 3.26Å; N248-L251 PolarHBondContact O-N 2.89Å
249	P	95.5	Very high	93.2	Very high	89 Å²	89	44.9 Å²	44.9	58%	0.578	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-55.6	-24	-179.5	-28.2	36	0	0	0	114.7	F245 L251 V252	F245-P249 WeakPolarHBondContact O-CA 3.37Å; F245-P249 VanDerWaalsContact O-N 3.13Å; P249-L251 PolarHBondContact O-N 2.82Å; P249-V252 PolarHBondContact O-N 2.86Å
250	F	93.4	Very high	93	Very high	133 Å²	133	45.2 Å²	45.2	58%	0.583	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-70	-12.1	177.6	-59.1	-76.3	0	0	0	113.6	N248 V252 L253 I256	N248-F250 PolarHBondContact O-N 2.68Å; N248-F250 WeakPolarHBondContact OD1-CB 3.5Å; N248-F250 WeakPolarHBondContact OD1-CD2 3.22Å; N248-F250 PolarHBondContact OD1-N 3.35Å; F250-V252 PolarHBondContact O-N 3.2Å; F250-L253 HydrophobicContact CD1-CD1 4.25Å; F250-L253 VanDerWaalsContact O-CB 3.28Å; F250-L253 WeakPolarHBondContact O-CB 3.31Å; F250-L253 PolarHBondContact O-N 3.23Å; F250-I256 HydrophobicContact CB-CD1 3.37Å; F250-I256 HydrophobicContact CG-CD1 4.36Å
251	L	93.6	Very high	93	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-64.8	-18.1	172.8	-74.1	169.6	0	0	0	113.4	E201 P242 F245 N248 P249 L253 I256 A257	E201-L251 WeakPolarHBondContact OE2-CD1 3.4Å; P242-L251 WeakPolarHBondContact CB-O 3.47Å; F245-L251 HydrophobicContact CB-CB 4.37Å; N248-L251 HydrophobicContact CB-CD1 3.96Å; N248-L251 HydrophobicContact CB-CG 4.11Å; N248-L251 WeakPolarHBondContact O-CB 3.26Å; N248-L251 PolarHBondContact O-N 2.89Å; P249-L251 PolarHBondContact O-N 2.82Å; L251-L253 PolarHBondContact O-N 3.37Å; L251-I256 HydrophobicContact CD2-CB 4.39Å; L251-I256 HydrophobicContact CD2-CG2 3.76Å; L251-A257 WeakPolarHBondContact O-CB 3.48Å
252	V	91.1	Very high	93.1	Very high	72 Å²	72	45.1 Å²	45.1	44%	0.436	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-66.1	-20.7	170.2	-177.8	0	0	0	0	111.3	F245 P249 F250 P254 Y288	F245-V252 HydrophobicContact CB-CG2 3.75Å; F245-V252 HydrophobicContact CG-CG2 4.21Å; P249-V252 PolarHBondContact O-N 2.86Å; F250-V252 PolarHBondContact O-N 3.2Å; V252-P254 WeakPolarHBondContact O-CD 3.44Å; V252-Y288 WeakPolarHBondContact O-CE2 3.28Å; V252-Y288 PolarHBondContact O-OH 3.22Å
253	L	90.6	Very high	93.2	Very high	84 Å²	84	48.9 Å²	48.9	44%	0.44	25%	0.251	S	S	.	.	S	Bend	trans	-81.4	122.4	171.9	-58.1	175.5	0	0	0	109.1	F250 L251 N255 I256 A257	F250-L253 HydrophobicContact CD1-CD1 4.25Å; F250-L253 VanDerWaalsContact O-CB 3.28Å; F250-L253 WeakPolarHBondContact O-CB 3.31Å; F250-L253 PolarHBondContact O-N 3.23Å; L251-L253 PolarHBondContact O-N 3.37Å; L253-N255 PolarHBondContact O-N 3.25Å; L253-I256 PolarHBondContact O-N 3.27Å; L253-A257 PolarHBondContact O-N 3.28Å
254	P	86.2	Confident	93.4	Very high	4 Å²	4	48.9 Å²	48.9	3%	0.026	25%	0.251	C	S	.	.	H	α-helix	trans	-55.7	-29.7	-179	-29.2	35.2	0	0	0	114.6	V252 I256 A257 G258 V286 Y288 F292 G300 G302	V252-P254 WeakPolarHBondContact O-CD 3.44Å; P254-I256 PolarHBondContact O-N 2.89Å; P254-A257 PolarHBondContact O-N 3.45Å; P254-G258 WeakPolarHBondContact O-CA 3.47Å; P254-G258 PolarHBondContact O-N 3.17Å; P254-V286 HydrophobicContact CB-CG2 3.93Å; P254-V286 HydrophobicContact CG-CG2 4.12Å; P254-Y288 HydrophobicContact CG-CD2 3.96Å; P254-Y288 HydrophobicContact CG-CE2 3.7Å; P254-F292 HydrophobicContact CG-CB 4.15Å; P254-F292 HydrophobicContact CG-CD1 4.1Å; P254-F292 HydrophobicContact CG-CD2 3.73Å; P254-F292 HydrophobicContact CG-CE1 4.46Å; P254-F292 HydrophobicContact CG-CE2 4.13Å; P254-F292 HydrophobicContact CG-CG 3.71Å; P254-F292 HydrophobicContact CG-CZ 4.47Å; P254-G300 WeakPolarHBondContact CB-O 3.43Å; P254-G300 WeakPolarHBondContact CG-O 3.31Å; P254-G302 WeakPolarHBondContact O-CA 3.28Å
255	N	85.8	Confident	93.5	Very high	61 Å²	61	48.8 Å²	48.8	33%	0.326	25%	0.251	S	S	.	.	H	α-helix	trans	-42.4	-49.3	172	158.7	-39.3	0	0	0	112.4	L253 Q259	L253-N255 PolarHBondContact O-N 3.25Å; N255-Q259 WeakPolarHBondContact O-CG 3.38Å; N255-Q259 PolarHBondContact O-NE2 3.32Å
256	I	88.5	Confident	93.6	Very high	46 Å²	46	47.2 Å²	47.2	24%	0.236	24%	0.244	C	C	.	.	H	α-helix	trans	-89.5	-43	-172.2	-53.9	-172.8	0	0	0	109.8	F250 L251 L253 P254 G258 Q259 N260	F250-I256 HydrophobicContact CB-CD1 3.37Å; F250-I256 HydrophobicContact CG-CD1 4.36Å; L251-I256 HydrophobicContact CD2-CB 4.39Å; L251-I256 HydrophobicContact CD2-CG2 3.76Å; L253-I256 PolarHBondContact O-N 3.27Å; P254-I256 PolarHBondContact O-N 2.89Å; I256-G258 VanDerWaalsContact C-N 3.3Å; I256-G258 PolarHBondContact O-N 3.01Å; I256-Q259 PolarHBondContact O-N 3.18Å; I256-N260 PolarHBondContact O-N 3.39Å
257	A	92.4	Very high	93.7	Very high	2 Å²	2	46.4 Å²	46.4	2%	0.017	24%	0.241	C	C	.	.	H	α-helix	trans	-60.7	-40.9	177.5	0	0	0	0	0	112.2	P242 L251 L253 P254 Q259 N260 L261 V286	P242-A257 HydrophobicContact CB-CB 4.27Å; L251-A257 WeakPolarHBondContact O-CB 3.48Å; L253-A257 PolarHBondContact O-N 3.28Å; P254-A257 PolarHBondContact O-N 3.45Å; A257-Q259 VanDerWaalsContact C-N 3.32Å; A257-Q259 PolarHBondContact O-N 3.39Å; A257-N260 PolarHBondContact O-N 3.39Å; A257-L261 PolarHBondContact O-N 3.29Å; A257-L261 VanDerWaalsContact O-N 3.07Å; A257-V286 HydrophobicContact CB-CG1 3.63Å
258	G	93.2	Very high	93.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-62	-35	178.3	0	0	0	0	0	113.7	P254 I256 L261 L262 T301	P254-G258 WeakPolarHBondContact O-CA 3.47Å; P254-G258 PolarHBondContact O-N 3.17Å; I256-G258 VanDerWaalsContact C-N 3.3Å; I256-G258 PolarHBondContact O-N 3.01Å; G258-L261 PolarHBondContact O-N 2.98Å; G258-L262 VanDerWaalsContact O-CB 3.29Å; G258-L262 WeakPolarHBondContact O-CB 3.05Å; G258-L262 PolarHBondContact O-N 2.78Å; G258-T301 WeakPolarHBondContact CA-O 3.39Å
259	Q	90.6	Very high	93.9	Very high	91 Å²	91	38.3 Å²	38.3	43%	0.425	20%	0.198	S	C	.	.	H	α-helix	trans	-66.1	-42	175.7	-71.9	177.3	34.5	0	0	112	N255 I256 A257 L262 L263	N255-Q259 WeakPolarHBondContact O-CG 3.38Å; N255-Q259 PolarHBondContact O-NE2 3.32Å; I256-Q259 PolarHBondContact O-N 3.18Å; A257-Q259 VanDerWaalsContact C-N 3.32Å; A257-Q259 PolarHBondContact O-N 3.39Å; Q259-L262 PolarHBondContact O-N 3.28Å; Q259-L263 PolarHBondContact O-N 3.43Å
260	N	92	Very high	94.1	Very high	37 Å²	37	36.3 Å²	36.3	20%	0.198	19%	0.187	C	C	.	.	H	α-helix	trans	-63.7	-43.7	176.5	-73.6	-11.7	0	0	0	111.4	I256 A257 L263 F264	I256-N260 PolarHBondContact O-N 3.39Å; A257-N260 PolarHBondContact O-N 3.39Å; N260-L263 PolarHBondContact O-N 3.18Å; N260-F264 PolarHBondContact O-N 2.98Å
261	L	96.3	Very high	94.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-62.3	-43	175.5	-74.9	172.3	0	0	0	112.1	Y204 P240 A257 G258 L263 F264 Y265 V286 M303	Y204-L261 HydrophobicContact CD1-CD2 3.93Å; Y204-L261 HydrophobicContact CE1-CD2 3.37Å; Y204-L261 HydrophobicContact CE1-CG 4.5Å; Y204-L261 HydrophobicContact CE2-CD2 4.3Å; P240-L261 HydrophobicContact CB-CD1 4.13Å; P240-L261 HydrophobicContact CB-CD2 3.68Å; P240-L261 HydrophobicContact CG-CD1 3.9Å; P240-L261 HydrophobicContact CG-CD2 4.1Å; A257-L261 PolarHBondContact O-N 3.29Å; A257-L261 VanDerWaalsContact O-N 3.07Å; G258-L261 PolarHBondContact O-N 2.98Å; L261-L263 VanDerWaalsContact C-N 3.33Å; L261-L263 PolarHBondContact O-N 3.24Å; L261-F264 WeakPolarHBondContact O-CB 3.39Å; L261-F264 PolarHBondContact O-N 2.93Å; L261-F264 VanDerWaalsContact O-N 3.16Å; L261-Y265 HydrophobicContact CB-CE2 4.08Å; L261-Y265 WeakPolarHBondContact O-CD2 3.28Å; L261-Y265 VanDerWaalsContact O-CG 3.24Å; L261-Y265 PolarHBondContact O-N 3.47Å; L261-V286 HydrophobicContact CD1-CG1 3.97Å; L261-M303 HydrophobicContact CB-CE 3.48Å; L261-M303 VanDerWaalsContact CB-CE 3.48Å; L261-M303 HydrophobicContact CD1-CE 4.08Å; L261-M303 HydrophobicContact CG-CE 4.44Å
262	L	96.7	Very high	94.5	Very high	12 Å²	12	30.1 Å²	30.1	6%	0.063	16%	0.16	C	C	.	.	H	α-helix	trans	-62.2	-39.3	-178.6	-175.6	58.6	0	0	0	112.5	G258 Q259 Y265 D266 M303 R305 P307	G258-L262 VanDerWaalsContact O-CB 3.29Å; G258-L262 WeakPolarHBondContact O-CB 3.05Å; G258-L262 PolarHBondContact O-N 2.78Å; Q259-L262 PolarHBondContact O-N 3.28Å; L262-Y265 PolarHBondContact O-N 3.4Å; L262-D266 VanDerWaalsContact O-CG 3.23Å; L262-D266 PolarHBondContact O-N 3.47Å; L262-M303 HydrophobicContact CB-CG 4.34Å; L262-R305 HydrophobicContact CD2-CG 3.83Å; L262-P307 HydrophobicContact CD1-CB 4.37Å; L262-P307 HydrophobicContact CD1-CG 4.01Å
263	L	96.1	Very high	94.9	Very high	97 Å²	97	28 Å²	28	51%	0.508	14%	0.144	S	C	.	.	H	α-helix	trans	-64.2	-41.8	174.9	-70.3	174.8	0	0	0	112.1	W211 Q259 N260 L261 Y267	W211-L263 HydrophobicContact CH2-CB 4.32Å; Q259-L263 PolarHBondContact O-N 3.43Å; N260-L263 PolarHBondContact O-N 3.18Å; L261-L263 VanDerWaalsContact C-N 3.33Å; L261-L263 PolarHBondContact O-N 3.24Å; L263-Y267 PolarHBondContact O-N 2.78Å
264	F	98	Very high	95.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61.6	-46.5	174.5	168.8	-126.9	0	0	0	111.2	I203 Y204 W211 F214 I237 N260 L261 Y267 L268	I203-F264 HydrophobicContact CG2-CE2 4.37Å; I203-F264 HydrophobicContact CG2-CZ 4.22Å; Y204-F264 HydrophobicContact CD1-CD1 4.46Å; W211-F264 AromaticContact CD1-CD2 3.52Å; W211-F264 AromaticContact CD1-CE2 3.82Å; W211-F264 HydrophobicContact CD2-CD2 4.24Å; W211-F264 AromaticContact CE2-CD2 3.77Å; W211-F264 HydrophobicContact CG-CD2 4.09Å; W211-F264 HydrophobicContact CG-CE2 4.42Å; W211-F264 HydrophobicContact CZ2-CB 3.92Å; W211-F264 HydrophobicContact CZ2-CD2 4.42Å; W211-F264 AromaticContact NE1-CD2 3.31Å; W211-F264 VanDerWaalsContact NE1-CD2 3.31Å; F214-F264 HydrophobicContact CB-CE2 4.25Å; F214-F264 HydrophobicContact CB-CZ 4.42Å; F214-F264 HydrophobicContact CD1-CE2 4.35Å; F214-F264 AromaticContact CD1-CZ 3.72Å; F214-F264 HydrophobicContact CD1-CZ 3.72Å; F214-F264 HydrophobicContact CD2-CE2 4.14Å; F214-F264 HydrophobicContact CD2-CZ 4.12Å; F214-F264 AromaticContact CE1-CZ 3.85Å; F214-F264 HydrophobicContact CE1-CZ 3.85Å; F214-F264 HydrophobicContact CE2-CZ 4.24Å; F214-F264 HydrophobicContact CG-CE2 4.02Å; F214-F264 AromaticContact CG-CZ 3.85Å; F214-F264 HydrophobicContact CG-CZ 3.85Å; F214-F264 HydrophobicContact CZ-CZ 4.12Å; I237-F264 HydrophobicContact CG2-CE1 4.45Å; N260-F264 PolarHBondContact O-N 2.98Å; L261-F264 WeakPolarHBondContact O-CB 3.39Å; L261-F264 PolarHBondContact O-N 2.93Å; L261-F264 VanDerWaalsContact O-N 3.16Å; F264-Y267 WeakPolarHBondContact O-CB 3.33Å; F264-Y267 PolarHBondContact O-N 3.23Å; F264-L268 HydrophobicContact CD2-CD1 4.35Å; F264-L268 HydrophobicContact CD2-CG 4.17Å; F264-L268 HydrophobicContact CE1-CD1 3.92Å; F264-L268 HydrophobicContact CE2-CD1 3.72Å; F264-L268 HydrophobicContact CE2-CD2 3.91Å; F264-L268 HydrophobicContact CE2-CG 3.82Å; F264-L268 HydrophobicContact CZ-CD1 3.49Å; F264-L268 VanDerWaalsContact CZ-CD1 3.49Å; F264-L268 HydrophobicContact CZ-CD2 4.44Å; F264-L268 HydrophobicContact CZ-CG 4.13Å; F264-L268 WeakPolarHBondContact O-CG 3.42Å; F264-L268 PolarHBondContact O-N 3.19Å; F264-L268 VanDerWaalsContact O-N 3.08Å
265	Y	98.6	Very high	95.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-65.5	-40.1	177.8	-61.5	-26.3	0	0	0	113.1	L236 I237 L261 L262 Y267 L268 V269 Y283 E284 M303 P307	L236-Y265 HydrophobicContact CB-CD1 4.19Å; L236-Y265 HydrophobicContact CB-CE1 4.08Å; L236-Y265 HydrophobicContact CD1-CD1 3.57Å; L236-Y265 HydrophobicContact CD1-CE1 4.23Å; L236-Y265 HydrophobicContact CD1-CG 3.82Å; I237-Y265 HydrophobicContact CG2-CE1 3.75Å; I237-Y265 WeakPolarHBondContact CG2-OH 3.43Å; L261-Y265 HydrophobicContact CB-CE2 4.08Å; L261-Y265 WeakPolarHBondContact O-CD2 3.28Å; L261-Y265 VanDerWaalsContact O-CG 3.24Å; L261-Y265 PolarHBondContact O-N 3.47Å; L262-Y265 PolarHBondContact O-N 3.4Å; Y265-Y267 PolarHBondContact O-N 3.04Å; Y265-L268 PolarHBondContact O-N 3.37Å; Y265-L268 VanDerWaalsContact O-N 3.14Å; Y265-V269 WeakPolarHBondContact O-CB 3.21Å; Y265-V269 VanDerWaalsContact O-CG2 3.31Å; Y265-V269 WeakPolarHBondContact O-CG2 3.39Å; Y265-V269 PolarHBondContact O-N 3.02Å; Y265-Y283 HydrophobicContact CD2-CD2 4.46Å; Y265-Y283 HydrophobicContact CE2-CD2 4.43Å; Y265-E284 WeakPolarHBondContact CE2-O 3.3Å; Y265-E284 PolarHBondContact OH-O 3.12Å; Y265-M303 HydrophobicContact CD2-CE 4.14Å; Y265-M303 HydrophobicContact CE2-CE 3.73Å; Y265-P307 HydrophobicContact CD2-CG 4.02Å; Y265-P307 HydrophobicContact CG-CG 4.29Å
266	D	98.4	Very high	96.3	Very high	10 Å²	10	30.6 Å²	30.6	5%	0.053	16%	0.156	C	C	.	.	H	α-helix	trans	-55.8	-42.7	175	-75.4	-27.4	0	0	0	111.4	L262 S270 R305 P307 G308	L262-D266 VanDerWaalsContact O-CG 3.23Å; L262-D266 PolarHBondContact O-N 3.47Å; D266-S270 WeakPolarHBondContact O-CB 3.27Å; D266-S270 PolarHBondContact O-N 3.43Å; D266-R305 IonicContact OD1-CZ 3.21Å; D266-R305 IonicContact OD1-NH1 3.22Å; D266-R305 PolarHBondContact OD1-NH1 3.36Å; D266-R305 IonicContact OD1-NH2 2.84Å; D266-R305 IonicContact OD2-CZ 3.81Å; D266-R305 IonicContact OD2-NH1 3.8Å; D266-R305 PolarHBondContact OD2-NH1 2.8Å; D266-R305 IonicContact OD2-NH2 2.72Å; D266-R305 PolarHBondContact OD2-NH2 2.89Å; D266-P307 WeakPolarHBondContact OD1-CA 3.47Å; D266-G308 PolarHBondContact OD1-N 2.78Å
267	Y	98.3	Very high	96.7	Very high	57 Å²	57	34.2 Å²	34.2	22%	0.224	17%	0.17	C	C	.	.	H	α-helix	trans	-63.8	-49	176	176.4	-98.4	0	0	0	111.6	W211 N212 A215 L263 F264 Y265 V269 S270 V271	W211-Y267 HydrophobicContact CB-CD1 3.63Å; W211-Y267 HydrophobicContact CB-CE1 3.46Å; W211-Y267 VanDerWaalsContact CB-CE1 3.46Å; W211-Y267 AromaticContact CD2-CD1 3.97Å; W211-Y267 HydrophobicContact CD2-CD1 3.97Å; W211-Y267 HydrophobicContact CD2-CG 4.14Å; W211-Y267 VanDerWaalsContact CE3-CB 3.49Å; W211-Y267 AromaticContact CE3-CD1 3.62Å; W211-Y267 HydrophobicContact CE3-CD1 3.62Å; W211-Y267 AromaticContact CE3-CD2 3.85Å; W211-Y267 HydrophobicContact CE3-CD2 3.85Å; W211-Y267 HydrophobicContact CE3-CE1 4.3Å; W211-Y267 AromaticContact CE3-CG 3.34Å; W211-Y267 HydrophobicContact CE3-CG 3.34Å; W211-Y267 HydrophobicContact CG-CD1 4.05Å; W211-Y267 HydrophobicContact CG-CE1 4.35Å; W211-Y267 HydrophobicContact CZ3-CD2 4.26Å; W211-Y267 AromaticContact CZ3-CG 3.85Å; W211-Y267 HydrophobicContact CZ3-CG 3.85Å; W211-Y267 WeakPolarHBondContact O-CE1 3.43Å; N212-Y267 PolarHBondContact OD1-OH 3.1Å; A215-Y267 HydrophobicContact CB-CE1 3.83Å; L263-Y267 PolarHBondContact O-N 2.78Å; F264-Y267 WeakPolarHBondContact O-CB 3.33Å; F264-Y267 PolarHBondContact O-N 3.23Å; Y265-Y267 PolarHBondContact O-N 3.04Å; Y267-V269 VanDerWaalsContact C-N 3.34Å; Y267-V269 PolarHBondContact O-N 3.05Å; Y267-S270 WeakPolarHBondContact O-CB 3.32Å; Y267-S270 PolarHBondContact O-N 3.07Å; Y267-S270 VanDerWaalsContact O-N 3.17Å; Y267-S270 PolarHBondContact O-OG 2.89Å; Y267-V271 HydrophobicContact CE1-CG2 4.11Å; Y267-V271 HydrophobicContact CE2-CG2 4.35Å; Y267-V271 PolarHBondContact O-N 2.84Å; Y267-V271 VanDerWaalsContact O-N 3.11Å
268	L	98.7	Very high	96.8	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60.3	-43.5	178.2	-64	-171.2	0	0	0	112.2	F214 L236 F264 Y265 S270 V271 I272	F214-L268 HydrophobicContact CB-CD2 3.65Å; L236-L268 HydrophobicContact CB-CD1 4.44Å; L236-L268 HydrophobicContact CD2-CB 4.35Å; L236-L268 HydrophobicContact CD2-CD1 4.31Å; F264-L268 HydrophobicContact CD2-CD1 4.35Å; F264-L268 HydrophobicContact CD2-CG 4.17Å; F264-L268 HydrophobicContact CE1-CD1 3.92Å; F264-L268 HydrophobicContact CE2-CD1 3.72Å; F264-L268 HydrophobicContact CE2-CD2 3.91Å; F264-L268 HydrophobicContact CE2-CG 3.82Å; F264-L268 HydrophobicContact CZ-CD1 3.49Å; F264-L268 VanDerWaalsContact CZ-CD1 3.49Å; F264-L268 HydrophobicContact CZ-CD2 4.44Å; F264-L268 HydrophobicContact CZ-CG 4.13Å; F264-L268 WeakPolarHBondContact O-CG 3.42Å; F264-L268 PolarHBondContact O-N 3.19Å; F264-L268 VanDerWaalsContact O-N 3.08Å; Y265-L268 PolarHBondContact O-N 3.37Å; Y265-L268 VanDerWaalsContact O-N 3.14Å; L268-S270 VanDerWaalsContact C-N 3.33Å; L268-S270 PolarHBondContact O-N 2.91Å; L268-V271 WeakPolarHBondContact O-CB 3.34Å; L268-V271 PolarHBondContact O-N 3.48Å; L268-V271 VanDerWaalsContact O-N 3.12Å; L268-I272 WeakPolarHBondContact O-CG1 3.18Å; L268-I272 PolarHBondContact O-N 3.38Å
269	V	98.7	Very high	97.1	Very high	8 Å²	8	38.1 Å²	38.1	5%	0.048	19%	0.191	C	C	.	.	H	α-helix	trans	-62.2	-41.8	176	173.9	0	0	0	0	110.7	L236 Y265 Y267 V271 I272 R273 I281 P307	L236-V269 HydrophobicContact CD1-CG2 4.39Å; Y265-V269 WeakPolarHBondContact O-CB 3.21Å; Y265-V269 VanDerWaalsContact O-CG2 3.31Å; Y265-V269 WeakPolarHBondContact O-CG2 3.39Å; Y265-V269 PolarHBondContact O-N 3.02Å; Y267-V269 VanDerWaalsContact C-N 3.34Å; Y267-V269 PolarHBondContact O-N 3.05Å; V269-V271 PolarHBondContact O-N 3.43Å; V269-I272 PolarHBondContact O-N 3.4Å; V269-R273 HydrophobicContact CG1-CG 3.87Å; V269-R273 VanDerWaalsContact O-CB 3.27Å; V269-R273 WeakPolarHBondContact O-CB 3.16Å; V269-R273 WeakPolarHBondContact O-CG 3.44Å; V269-R273 PolarHBondContact O-N 3.41Å; V269-I281 HydrophobicContact CG1-CG1 4.46Å; V269-I281 HydrophobicContact CG2-CB 4.35Å; V269-I281 HydrophobicContact CG2-CD1 4.13Å; V269-I281 HydrophobicContact CG2-CG1 3.86Å; V269-I281 HydrophobicContact CG2-CG2 3.76Å; V269-P307 HydrophobicContact CG2-CB 3.81Å
270	S	98.3	Very high	97.5	Very high	48 Å²	48	33.8 Å²	33.8	34%	0.336	17%	0.171	S	C	.	.	H	α-helix	trans	-60.6	-30.7	176.4	81.7	0	0	0	0	113	D266 Y267 L268 Q274	D266-S270 WeakPolarHBondContact O-CB 3.27Å; D266-S270 PolarHBondContact O-N 3.43Å; Y267-S270 WeakPolarHBondContact O-CB 3.32Å; Y267-S270 PolarHBondContact O-N 3.07Å; Y267-S270 VanDerWaalsContact O-N 3.17Å; Y267-S270 PolarHBondContact O-OG 2.89Å; L268-S270 VanDerWaalsContact C-N 3.33Å; L268-S270 PolarHBondContact O-N 2.91Å; S270-Q274 WeakPolarHBondContact O-CG 3.29Å; S270-Q274 PolarHBondContact O-NE2 3.19Å
271	V	98.3	Very high	97.8	Very high	4 Å²	4	32 Å²	32	2%	0.024	16%	0.161	C	C	.	.	H	α-helix	trans	-78.1	-50.9	175.8	171.6	0	0	0	0	111	A215 R219 Y267 L268 V269 R273 Q274	A215-V271 HydrophobicContact CB-CB 4.29Å; A215-V271 HydrophobicContact CB-CG1 3.89Å; A215-V271 HydrophobicContact CB-CG2 3.83Å; R219-V271 HydrophobicContact CG-CG1 3.55Å; Y267-V271 HydrophobicContact CE1-CG2 4.11Å; Y267-V271 HydrophobicContact CE2-CG2 4.35Å; Y267-V271 PolarHBondContact O-N 2.84Å; Y267-V271 VanDerWaalsContact O-N 3.11Å; L268-V271 WeakPolarHBondContact O-CB 3.34Å; L268-V271 PolarHBondContact O-N 3.48Å; L268-V271 VanDerWaalsContact O-N 3.12Å; V269-V271 PolarHBondContact O-N 3.43Å; V271-R273 PolarHBondContact O-N 3.15Å; V271-Q274 VanDerWaalsContact O-CB 3.29Å; V271-Q274 WeakPolarHBondContact O-CB 3.34Å; V271-Q274 PolarHBondContact O-N 3.06Å
272	I	98.7	Very high	97.9	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-54.9	-43.1	178.3	-73.7	165.2	0	0	0	110.4	W218 T222 Y234 L236 L268 V269 Q274 T275 D276 I281	W218-I272 HydrophobicContact CB-CD1 4.19Å; W218-I272 HydrophobicContact CB-CG1 3.82Å; W218-I272 HydrophobicContact CD2-CD1 4.02Å; W218-I272 HydrophobicContact CE3-CD1 4.19Å; W218-I272 HydrophobicContact CG-CD1 4.02Å; W218-I272 HydrophobicContact CG-CG1 4.2Å; T222-I272 HydrophobicContact CG2-CB 4.25Å; T222-I272 HydrophobicContact CG2-CG1 4.06Å; T222-I272 HydrophobicContact CG2-CG2 3.79Å; Y234-I272 HydrophobicContact CD2-CG2 4.04Å; Y234-I272 HydrophobicContact CE2-CG2 4.07Å; L236-I272 HydrophobicContact CD2-CD1 3.56Å; L268-I272 WeakPolarHBondContact O-CG1 3.18Å; L268-I272 PolarHBondContact O-N 3.38Å; V269-I272 PolarHBondContact O-N 3.4Å; I272-Q274 PolarHBondContact O-N 2.88Å; I272-T275 PolarHBondContact O-N 3.47Å; I272-T275 VanDerWaalsContact O-N 3.11Å; I272-T275 PolarHBondContact O-OG1 3.09Å; I272-T275 VanDerWaalsContact O-OG1 3.12Å; I272-D276 PolarHBondContact O-N 3.13Å; I272-I281 HydrophobicContact CB-CD1 4.45Å; I272-I281 HydrophobicContact CD1-CD1 3.84Å; I272-I281 HydrophobicContact CG2-CD1 3.87Å
273	R	98.1	Very high	98	Very high	27 Å²	27	31.5 Å²	31.5	10%	0.102	16%	0.159	C	C	.	.	H	α-helix	trans	-68	-4.7	180	-65.4	-71.5	172.3	-120.6	5.2	113.6	V269 V271 D276 K277 T279	V269-R273 HydrophobicContact CG1-CG 3.87Å; V269-R273 VanDerWaalsContact O-CB 3.27Å; V269-R273 WeakPolarHBondContact O-CB 3.16Å; V269-R273 WeakPolarHBondContact O-CG 3.44Å; V269-R273 PolarHBondContact O-N 3.41Å; V271-R273 PolarHBondContact O-N 3.15Å; R273-D276 WeakPolarHBondContact CA-O 3.17Å; R273-D276 WeakPolarHBondContact CD-O 3.26Å; R273-D276 PolarHBondContact NH1-O 2.67Å; R273-K277 WeakPolarHBondContact O-CD 3.33Å; R273-K277 WeakPolarHBondContact O-CE 3.43Å; R273-K277 PolarHBondContact O-NZ 3.41Å; R273-T279 PolarHBondContact NH1-O 2.99Å; R273-T279 PolarHBondContact NH2-O 2.97Å
274	Q	97.5	Very high	98.1	Very high	129 Å²	129	27 Å²	27	60%	0.603	14%	0.135	S	C	*	.	H	α-helix	trans	-77.1	-30.8	171.3	-65.8	168.6	21.5	0	0	112.1	S270 V271 I272	S270-Q274 WeakPolarHBondContact O-CG 3.29Å; S270-Q274 PolarHBondContact O-NE2 3.19Å; V271-Q274 VanDerWaalsContact O-CB 3.29Å; V271-Q274 WeakPolarHBondContact O-CB 3.34Å; V271-Q274 PolarHBondContact O-N 3.06Å; I272-Q274 PolarHBondContact O-N 2.88Å
275	T	97.2	Very high	98	Very high	66 Å²	66	27.3 Å²	27.3	41%	0.405	14%	0.137	S	C	.	.	H	α-helix	trans	-112.1	-29.7	-174.4	42	0	0	0	0	112.7	T222 I272	T222-T275 VanDerWaalsContact CB-OG1 3.24Å; T222-T275 WeakPolarHBondContact CB-OG1 3.41Å; T222-T275 PolarHBondContact OG1-OG1 2.71Å; I272-T275 PolarHBondContact O-N 3.47Å; I272-T275 VanDerWaalsContact O-N 3.11Å; I272-T275 PolarHBondContact O-OG1 3.09Å; I272-T275 VanDerWaalsContact O-OG1 3.12Å
276	D	97.8	Very high	97.8	Very high	8 Å²	8	27.3 Å²	27.3	4%	0.043	14%	0.137	C	C	.	.			trans	-136.1	113.8	178.2	-172.7	-25.1	0	0	0	111.8	T222 G226 Y234 I272 R273 D278 T279	T222-D276 HydrophobicContact CG2-CB 4.27Å; G226-D276 WeakPolarHBondContact CA-OD2 3.43Å; Y234-D276 HydrophobicContact CE2-CB 4.47Å; Y234-D276 PolarHBondContact OH-OD2 2.94Å; I272-D276 PolarHBondContact O-N 3.13Å; R273-D276 WeakPolarHBondContact CA-O 3.17Å; R273-D276 WeakPolarHBondContact CD-O 3.26Å; R273-D276 PolarHBondContact NH1-O 2.67Å; D276-D278 PolarHBondContact OD1-N 3.2Å; D276-T279 VanDerWaalsContact CG-OG1 3.31Å; D276-T279 PolarHBondContact OD1-N 3.28Å; D276-T279 PolarHBondContact OD1-OG1 2.9Å; D276-T279 WeakPolarHBondContact OD2-CB 3.34Å; D276-T279 PolarHBondContact OD2-OG1 3.17Å
277	K	95.8	Very high	97.5	Very high	122 Å²	122	29 Å²	29	53%	0.53	15%	0.148	S	C	.	.	S	Bend	trans	-85.7	-16	-175	-63.3	-64.8	-178.3	-176.6	0	114.6	R273 K318	R273-K277 WeakPolarHBondContact O-CD 3.33Å; R273-K277 WeakPolarHBondContact O-CE 3.43Å; R273-K277 PolarHBondContact O-NZ 3.41Å; K277-K318 WeakPolarHBondContact O-CD 3.19Å; K277-K318 PolarHBondContact O-NZ 3.34Å
278	D	95.9	Very high	97.2	Very high	83 Å²	83	29.4 Å²	29.4	44%	0.444	15%	0.149	S	C	.	.	S	Bend	trans	-129.9	-32.7	-156.6	-59.7	-49	0	0	0	113.7	K46 D276 L280	K46-D278 HydrophobicContact CB-CB 4.21Å; K46-D278 HydrophobicContact CG-CB 3.92Å; D276-D278 PolarHBondContact OD1-N 3.2Å; D278-L280 PolarHBondContact O-N 3.45Å
279	T	98.3	Very high	97	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.006	15%	0.149	C	C	.	.	S	Bend	trans	-59.5	139.6	178.5	-60.2	0	0	0	0	111.1	K46 V231 Y234 R273 D276	K46-T279 VanDerWaalsContact CE-OG1 3.3Å; K46-T279 WeakPolarHBondContact CE-OG1 3.17Å; K46-T279 PolarHBondContact NZ-OG1 2.64Å; V231-T279 HydrophobicContact CG1-CG2 3.95Å; Y234-T279 HydrophobicContact CD2-CG2 3.83Å; Y234-T279 HydrophobicContact CE1-CG2 4.21Å; Y234-T279 HydrophobicContact CE2-CG2 3.44Å; Y234-T279 VanDerWaalsContact CE2-CG2 3.44Å; Y234-T279 HydrophobicContact CG-CG2 4.38Å; R273-T279 PolarHBondContact NH1-O 2.99Å; R273-T279 PolarHBondContact NH2-O 2.97Å; D276-T279 VanDerWaalsContact CG-OG1 3.31Å; D276-T279 PolarHBondContact OD1-N 3.28Å; D276-T279 PolarHBondContact OD1-OG1 2.9Å; D276-T279 WeakPolarHBondContact OD2-CB 3.34Å; D276-T279 PolarHBondContact OD2-OG1 3.17Å
280	L	98.8	Very high	96.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	146.5	-175.2	-56.8	176.9	0	0	0	111.8	V47 I49 F56 L232 G233 Y234 D278 F282 K318 V320	V47-L280 HydrophobicContact CG1-CD1 4.42Å; I49-L280 HydrophobicContact CD1-CD1 4.25Å; I49-L280 HydrophobicContact CD1-CD2 4.49Å; I49-L280 HydrophobicContact CG1-CD2 4.09Å; F56-L280 HydrophobicContact CD1-CD1 3.8Å; F56-L280 HydrophobicContact CE1-CD1 3.71Å; L232-L280 HydrophobicContact CD1-CD1 3.8Å; L232-L280 HydrophobicContact CG-CD1 4.25Å; L232-L280 VanDerWaalsContact O-CB 3.24Å; L232-L280 WeakPolarHBondContact O-CB 3.45Å; L232-L280 WeakPolarHBondContact O-CG 3.44Å; L232-L280 PolarHBondContact O-N 2.69Å; G233-L280 CarbonylContact C-O 3.57Å; G233-L280 WeakPolarHBondContact CA-O 3.42Å; Y234-L280 PolarHBondContact N-O 2.93Å; D278-L280 PolarHBondContact O-N 3.45Å; L280-F282 HydrophobicContact CB-CD2 4.27Å; L280-F282 HydrophobicContact CB-CE2 3.92Å; L280-F282 HydrophobicContact CD1-CE2 4.26Å; L280-K318 WeakPolarHBondContact CA-O 3.2Å; L280-V320 HydrophobicContact CB-CG2 4.3Å; L280-V320 HydrophobicContact CD1-CG2 4.03Å
281	I	98.9	Very high	96.5	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	116.3	170.4	-58.4	-62.6	0	0	0	108.4	Y234 L236 V269 I272 K318 S319 V320	Y234-I281 HydrophobicContact CD2-CD1 4.21Å; L236-I281 HydrophobicContact CD1-CG2 3.68Å; L236-I281 HydrophobicContact CD2-CG2 4.32Å; L236-I281 HydrophobicContact CG-CG2 3.92Å; V269-I281 HydrophobicContact CG1-CG1 4.46Å; V269-I281 HydrophobicContact CG2-CB 4.35Å; V269-I281 HydrophobicContact CG2-CD1 4.13Å; V269-I281 HydrophobicContact CG2-CG1 3.86Å; V269-I281 HydrophobicContact CG2-CG2 3.76Å; I272-I281 HydrophobicContact CB-CD1 4.45Å; I272-I281 HydrophobicContact CD1-CD1 3.84Å; I272-I281 HydrophobicContact CG2-CD1 3.87Å; I281-K318 PolarHBondContact N-O 3.28Å; I281-S319 CarbonylContact O-C 3.59Å; I281-S319 WeakPolarHBondContact O-CA 3.27Å; I281-V320 PolarHBondContact O-N 3.48Å
282	F	98.9	Very high	96.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	124.6	168.8	-75.6	-114.2	0	0	0	107.5	F56 I139 L232 Y234 D235 L236 L280 V320 F371 T373	F56-F282 HydrophobicContact CE1-CZ 4.21Å; F56-F282 HydrophobicContact CZ-CZ 4.44Å; I139-F282 HydrophobicContact CD1-CD1 4.34Å; I139-F282 HydrophobicContact CD1-CE1 3.64Å; I139-F282 HydrophobicContact CD1-CZ 3.76Å; I139-F282 HydrophobicContact CG1-CE1 4.28Å; I139-F282 HydrophobicContact CG1-CE2 4.3Å; I139-F282 HydrophobicContact CG1-CZ 3.99Å; I139-F282 HydrophobicContact CG2-CD1 4.4Å; I139-F282 HydrophobicContact CG2-CD2 4.36Å; I139-F282 HydrophobicContact CG2-CG 4.26Å; L232-F282 HydrophobicContact CD2-CZ 4.12Å; L232-F282 HydrophobicContact CG-CE2 4.29Å; L232-F282 HydrophobicContact CG-CZ 4.26Å; Y234-F282 WeakPolarHBondContact O-CA 3.46Å; Y234-F282 WeakPolarHBondContact O-CB 3.33Å; Y234-F282 PolarHBondContact O-N 3.48Å; Y234-F282 VanDerWaalsContact O-O 3.09Å; D235-F282 HydrophobicContact CB-CB 3.94Å; L236-F282 WeakPolarHBondContact CG-O 3.11Å; L236-F282 PolarHBondContact N-O 3.14Å; L280-F282 HydrophobicContact CB-CD2 4.27Å; L280-F282 HydrophobicContact CB-CE2 3.92Å; L280-F282 HydrophobicContact CD1-CE2 4.26Å; F282-V320 WeakPolarHBondContact CA-O 3.44Å; F282-V320 HydrophobicContact CD1-CB 4.01Å; F282-V320 HydrophobicContact CD1-CG1 3.82Å; F282-V320 HydrophobicContact CD2-CB 4.21Å; F282-V320 HydrophobicContact CD2-CG2 4.37Å; F282-V320 HydrophobicContact CE1-CB 4.07Å; F282-V320 HydrophobicContact CE1-CG1 3.63Å; F282-V320 HydrophobicContact CE1-CG2 4.46Å; F282-V320 HydrophobicContact CE2-CB 4.24Å; F282-V320 HydrophobicContact CE2-CG2 4.04Å; F282-V320 HydrophobicContact CG-CB 4.08Å; F282-V320 HydrophobicContact CG-CG1 4.4Å; F282-V320 HydrophobicContact CZ-CB 4.18Å; F282-V320 HydrophobicContact CZ-CG1 4.05Å; F282-V320 HydrophobicContact CZ-CG2 4.09Å; F282-F371 HydrophobicContact CD1-CB 4.31Å; F282-F371 HydrophobicContact CE1-CB 3.67Å; F282-F371 HydrophobicContact CE1-CD1 4.44Å; F282-F371 AromaticContact CE1-CD2 3.69Å; F282-F371 HydrophobicContact CE1-CD2 3.69Å; F282-F371 HydrophobicContact CE1-CE2 4.44Å; F282-F371 AromaticContact CE1-CG 3.7Å; F282-F371 HydrophobicContact CE1-CG 3.7Å; F282-F371 HydrophobicContact CZ-CD2 4.04Å; F282-T373 HydrophobicContact CD1-CG2 4.04Å; F282-T373 HydrophobicContact CE1-CG2 4.34Å
283	Y	98.6	Very high	96	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.008	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	140.8	-178.7	70.4	-83.2	0	0	0	110.1	Y265 M303 V306 P307 V320 L321 S322	Y265-Y283 HydrophobicContact CD2-CD2 4.46Å; Y265-Y283 HydrophobicContact CE2-CD2 4.43Å; Y283-M303 HydrophobicContact CD2-SD 3.79Å; Y283-M303 HydrophobicContact CE2-SD 3.76Å; Y283-V306 HydrophobicContact CE1-CB 4.43Å; Y283-V306 HydrophobicContact CE1-CG1 4.24Å; Y283-P307 HydrophobicContact CD1-CG 3.96Å; Y283-P307 HydrophobicContact CD2-CG 3.99Å; Y283-P307 HydrophobicContact CG-CG 3.67Å; Y283-V320 WeakPolarHBondContact CD1-O 3.13Å; Y283-V320 VanDerWaalsContact CE1-C 3.49Å; Y283-V320 WeakPolarHBondContact CE1-O 3.43Å; Y283-V320 PolarHBondContact N-O 3.24Å; Y283-L321 HydrophobicContact CD2-CD1 4.37Å; Y283-L321 HydrophobicContact CE1-CB 4.49Å; Y283-L321 HydrophobicContact CE2-CD1 3.87Å; Y283-S322 PolarHBondContact O-N 3.33Å
284	E	97.9	Very high	95.7	Very high	3 Å²	3	37.9 Å²	37.9	1%	0.014	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	142.2	-179.3	-65.4	-174.5	-148.9	0	0	111	R101 E239 P240 Y265 S322 H324	R101-E284 IonicContact NH2-OE1 2.63Å; R101-E284 PolarHBondContact NH2-OE1 2.89Å; R101-E284 VanDerWaalsContact NH2-OE1 3.14Å; E239-E284 WeakPolarHBondContact CA-OE2 3.28Å; E239-E284 PolarHBondContact N-OE2 3.46Å; P240-E284 HydrophobicContact CG-CB 4.2Å; Y265-E284 WeakPolarHBondContact CE2-O 3.3Å; Y265-E284 PolarHBondContact OH-O 3.12Å; E284-S322 VanDerWaalsContact CG-CB 3.48Å; E284-S322 VanDerWaalsContact CG-OG 3.32Å; E284-S322 WeakPolarHBondContact CG-OG 3.24Å; E284-S322 PolarHBondContact OE1-OG 3.35Å; E284-H324 IonicContact OE1-CE1 3.32Å; E284-H324 IonicContact OE1-NE2 2.77Å; E284-H324 IonicContact OE2-CE1 3.37Å; E284-H324 IonicContact OE2-NE2 2.58Å
285	S	96.3	Very high	95.3	Very high	5 Å²	5	35.8 Å²	35.8	4%	0.035	18%	0.183	C	C	.	.			trans	-76.5	-179.3	161.3	68.6	0	0	0	0	110.3	P240 T287	P240-S285 WeakPolarHBondContact CG-O 3.28Å; S285-T287 PolarHBondContact O-N 3.3Å
286	V	95.1	Very high	94.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.205	C	C	.	.			trans	-52.5	136.9	158.5	-65	0	0	0	0	109.4	P240 P242 P254 A257 L261 Y288 G289	P240-V286 WeakPolarHBondContact O-CA 3.4Å; P242-V286 HydrophobicContact CB-CG1 4.44Å; P254-V286 HydrophobicContact CB-CG2 3.93Å; P254-V286 HydrophobicContact CG-CG2 4.12Å; A257-V286 HydrophobicContact CB-CG1 3.63Å; L261-V286 HydrophobicContact CD1-CG1 3.97Å; V286-Y288 HydrophobicContact CB-CE1 4.21Å; V286-Y288 HydrophobicContact CG2-CD2 4.19Å; V286-Y288 HydrophobicContact CG2-CE1 4.37Å; V286-Y288 HydrophobicContact CG2-CE2 3.79Å; V286-Y288 PolarHBondContact O-N 3.1Å; V286-G289 WeakPolarHBondContact O-CA 3.44Å; V286-G289 PolarHBondContact O-N 2.97Å
287	T	91.6	Very high	94.5	Very high	45 Å²	45	42.5 Å²	42.5	28%	0.276	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-53.1	-38.6	-166.1	-43.4	0	0	0	0	113.1	E239 S285 G289	E239-T287 HydrophobicContact CG-CG2 4.22Å; S285-T287 PolarHBondContact O-N 3.3Å; T287-G289 VanDerWaalsContact C-N 3.33Å; T287-G289 PolarHBondContact O-N 3.38Å
288	Y	92.1	Very high	94.2	Very high	66 Å²	66	38.4 Å²	38.4	26%	0.259	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-81.2	-6	179.7	55.3	-97.8	0	0	0	114.6	P242 V252 P254 V286 I290 F291 F292	P242-Y288 WeakPolarHBondContact CB-OH 3.37Å; P242-Y288 HydrophobicContact CG-CE1 4.29Å; P242-Y288 VanDerWaalsContact CG-OH 3.3Å; P242-Y288 WeakPolarHBondContact CG-OH 3.46Å; V252-Y288 WeakPolarHBondContact O-CE2 3.28Å; V252-Y288 PolarHBondContact O-OH 3.22Å; P254-Y288 HydrophobicContact CG-CD2 3.96Å; P254-Y288 HydrophobicContact CG-CE2 3.7Å; V286-Y288 HydrophobicContact CB-CE1 4.21Å; V286-Y288 HydrophobicContact CG2-CD2 4.19Å; V286-Y288 HydrophobicContact CG2-CE1 4.37Å; V286-Y288 HydrophobicContact CG2-CE2 3.79Å; V286-Y288 PolarHBondContact O-N 3.1Å; Y288-I290 PolarHBondContact O-N 3.09Å; Y288-F291 WeakPolarHBondContact O-CB 3.34Å; Y288-F291 PolarHBondContact O-N 3.09Å; Y288-F292 HydrophobicContact CD2-CD2 4.04Å; Y288-F292 AromaticContact CD2-CE2 3.56Å; Y288-F292 HydrophobicContact CD2-CE2 3.56Å; Y288-F292 HydrophobicContact CD2-CZ 4.39Å; Y288-F292 HydrophobicContact CE2-CE2 4.17Å; Y288-F292 WeakPolarHBondContact O-CD2 2.82Å
289	G	93.8	Very high	94.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-60.4	-31.2	-175.3	0	0	0	0	0	113.7	V286 T287 F291 F292 G300	V286-G289 WeakPolarHBondContact O-CA 3.44Å; V286-G289 PolarHBondContact O-N 2.97Å; T287-G289 VanDerWaalsContact C-N 3.33Å; T287-G289 PolarHBondContact O-N 3.38Å; G289-F291 PolarHBondContact O-N 3.32Å; G289-F292 PolarHBondContact O-N 2.8Å; G289-F292 VanDerWaalsContact O-N 3.1Å; G289-G300 CarbonylContact C-O 3.59Å; G289-G300 WeakPolarHBondContact CA-O 3.37Å; G289-G300 CarbonylContact O-C 3.59Å
290	I	94.1	Very high	93.7	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.01	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-66.3	-16.6	176.2	66.7	170.7	0	0	0	113.7	Y288 Y323 H324 A355 N358 V359	Y288-I290 PolarHBondContact O-N 3.09Å; I290-Y323 HydrophobicContact CD1-CD2 3.69Å; I290-Y323 HydrophobicContact CD1-CE2 4.49Å; I290-Y323 HydrophobicContact CD1-CG 4.47Å; I290-Y323 HydrophobicContact CG2-CG 4.47Å; I290-H324 WeakPolarHBondContact CD1-O 3.17Å; I290-A355 HydrophobicContact CD1-CB 4.42Å; I290-N358 PolarHBondContact O-ND2 3.4Å; I290-V359 HydrophobicContact CB-CG2 3.98Å; I290-V359 HydrophobicContact CG2-CG2 3.83Å
291	F	93.7	Very high	93.5	Very high	45 Å²	45	34.9 Å²	34.9	20%	0.197	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-92.5	-5.1	176.7	-62.2	-76.6	0	0	0	113	Y288 G289 Y325 W328 Y354 A355	Y288-F291 WeakPolarHBondContact O-CB 3.34Å; Y288-F291 PolarHBondContact O-N 3.09Å; G289-F291 PolarHBondContact O-N 3.32Å; F291-Y325 HydrophobicContact CE1-CD2 4.2Å; F291-Y325 HydrophobicContact CE1-CE2 4.14Å; F291-Y325 AromaticContact CZ-CD2 3.9Å; F291-Y325 HydrophobicContact CZ-CD2 3.9Å; F291-Y325 HydrophobicContact CZ-CE2 4.16Å; F291-W328 HydrophobicContact CD1-CH2 4.43Å; F291-W328 HydrophobicContact CD1-CZ3 4.17Å; F291-W328 HydrophobicContact CD2-CZ3 4.35Å; F291-W328 AromaticContact CE1-CZ3 3.98Å; F291-W328 HydrophobicContact CE1-CZ3 3.98Å; F291-W328 HydrophobicContact CE2-CZ3 4.17Å; F291-W328 HydrophobicContact CG-CZ3 4.35Å; F291-W328 AromaticContact CZ-CZ3 3.98Å; F291-W328 HydrophobicContact CZ-CZ3 3.98Å; F291-Y354 VanDerWaalsContact O-CE1 3.28Å; F291-Y354 WeakPolarHBondContact O-CE1 3.24Å; F291-A355 HydrophobicContact CD1-CB 4.35Å; F291-A355 HydrophobicContact CE1-CB 3.85Å; F291-A355 HydrophobicContact CZ-CB 4.43Å
292	F	93.6	Very high	93.3	Very high	78 Å²	78	34.9 Å²	34.9	34%	0.342	20%	0.196	S	C	.	.	S	Bend	trans	-91.4	139.6	178.3	-83.3	-107.3	0	0	0	111.5	P254 Y288 G289 G300 N358	P254-F292 HydrophobicContact CG-CB 4.15Å; P254-F292 HydrophobicContact CG-CD1 4.1Å; P254-F292 HydrophobicContact CG-CD2 3.73Å; P254-F292 HydrophobicContact CG-CE1 4.46Å; P254-F292 HydrophobicContact CG-CE2 4.13Å; P254-F292 HydrophobicContact CG-CG 3.71Å; P254-F292 HydrophobicContact CG-CZ 4.47Å; Y288-F292 HydrophobicContact CD2-CD2 4.04Å; Y288-F292 AromaticContact CD2-CE2 3.56Å; Y288-F292 HydrophobicContact CD2-CE2 3.56Å; Y288-F292 HydrophobicContact CD2-CZ 4.39Å; Y288-F292 HydrophobicContact CE2-CE2 4.17Å; Y288-F292 WeakPolarHBondContact O-CD2 2.82Å; G289-F292 PolarHBondContact O-N 2.8Å; G289-F292 VanDerWaalsContact O-N 3.1Å; F292-G300 WeakPolarHBondContact O-CA 3.41Å; F292-N358 PolarHBondContact O-ND2 3.2Å
293	P	92.1	Very high	93.1	Very high	69 Å²	69	35 Å²	35	45%	0.448	20%	0.196	S	C	.	.	P	Polyproline II helix	trans	-73.7	166.5	177.6	32.1	-36	0	0	0	111.4	Y354	P293-Y354 VanDerWaalsContact CA-OH 3.3Å; P293-Y354 WeakPolarHBondContact CA-OH 3.44Å
294	F	91.7	Very high	92.9	Very high	71 Å²	71	40.1 Å²	40.1	31%	0.311	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-63.9	135.9	166	-77.4	-113.6	0	0	0	110.8	I298 P299 S361 I362	F294-I298 CarbonylContact C-O 3.46Å; F294-I298 WeakPolarHBondContact CA-O 3.46Å; F294-P299 HydrophobicContact CD1-CB 4.35Å; F294-P299 HydrophobicContact CD1-CG 4.28Å; F294-P299 HydrophobicContact CE1-CB 3.83Å; F294-P299 HydrophobicContact CE1-CG 3.6Å; F294-P299 HydrophobicContact CE2-CB 4.38Å; F294-P299 HydrophobicContact CZ-CB 3.85Å; F294-P299 HydrophobicContact CZ-CG 3.98Å; F294-S361 WeakPolarHBondContact CZ-O 3.49Å; F294-I362 HydrophobicContact CE2-CG1 3.99Å; F294-I362 HydrophobicContact CZ-CG1 4.21Å
295	V	89.5	Confident	92.8	Very high	85 Å²	85	41.9 Å²	41.9	52%	0.515	23%	0.227	S	C	.	.	B	Isolated β-bridge	trans	-126.3	120.2	174.6	-178.6	0	0	0	0	108.6	G297 I298	V295-G297 PolarHBondContact O-N 2.98Å; V295-I298 PolarHBondContact N-O 3.42Å; V295-I298 WeakPolarHBondContact O-CB 3.4Å; V295-I298 PolarHBondContact O-N 3.22Å
296	N	88.7	Confident	92.9	Very high	162 Å²	162	41.6 Å²	41.6	87%	0.866	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	52	38.3	-176.7	-58.6	-30.9	0	0	0	113.3	I298	N296-I298 PolarHBondContact O-N 2.86Å
297	G	88.4	Confident	93	Very high	54 Å²	54	41.6 Å²	41.6	56%	0.557	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.3	-0	-178.3	0	0	0	0	0	115	V295	V295-G297 PolarHBondContact O-N 2.98Å
298	I	90.7	Very high	93.4	Very high	36 Å²	36	39.7 Å²	39.7	19%	0.185	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-87.1	126.7	174.9	-54.4	-178	0	0	0	108.5	F294 V295 N296 Q304	F294-I298 CarbonylContact C-O 3.46Å; F294-I298 WeakPolarHBondContact CA-O 3.46Å; V295-I298 PolarHBondContact N-O 3.42Å; V295-I298 WeakPolarHBondContact O-CB 3.4Å; V295-I298 PolarHBondContact O-N 3.22Å; N296-I298 PolarHBondContact O-N 2.86Å; I298-Q304 HydrophobicContact CG2-CG 4.07Å
299	P	93.1	Very high	93.6	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.019	21%	0.211	C	C	.	.			trans	-58.9	153	176.5	-22.4	32.8	0	0	0	112.7	F294 T301 G302 M303 I362 T366	F294-P299 HydrophobicContact CD1-CB 4.35Å; F294-P299 HydrophobicContact CD1-CG 4.28Å; F294-P299 HydrophobicContact CE1-CB 3.83Å; F294-P299 HydrophobicContact CE1-CG 3.6Å; F294-P299 HydrophobicContact CE2-CB 4.38Å; F294-P299 HydrophobicContact CZ-CB 3.85Å; F294-P299 HydrophobicContact CZ-CG 3.98Å; P299-T301 PolarHBondContact O-N 3.08Å; P299-G302 PolarHBondContact O-N 3.01Å; P299-M303 WeakPolarHBondContact CG-O 3.37Å; P299-I362 HydrophobicContact CB-CB 4.47Å; P299-I362 HydrophobicContact CB-CG1 4Å; P299-I362 HydrophobicContact CB-CG2 4.16Å; P299-T366 HydrophobicContact CG-CG2 4.27Å
300	G	90.6	Very high	93.8	Very high	5 Å²	5	44 Å²	44	5%	0.052	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-11.2	177.2	0	0	0	0	0	114.9	P254 G289 F292 G302	P254-G300 WeakPolarHBondContact CB-O 3.43Å; P254-G300 WeakPolarHBondContact CG-O 3.31Å; G289-G300 CarbonylContact C-O 3.59Å; G289-G300 WeakPolarHBondContact CA-O 3.37Å; G289-G300 CarbonylContact O-C 3.59Å; F292-G300 WeakPolarHBondContact O-CA 3.41Å; G300-G302 VanDerWaalsContact C-N 3.35Å
301	T	94.8	Very high	93.9	Very high	1 Å²	1	50 Å²	50	1%	0.006	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-14.2	171.7	58.3	0	0	0	0	113.3	G258 P299 M303 I362	G258-T301 WeakPolarHBondContact CA-O 3.39Å; P299-T301 PolarHBondContact O-N 3.08Å; T301-M303 PolarHBondContact O-N 3.06Å; T301-M303 PolarHBondContact OG1-N 3.18Å; T301-I362 HydrophobicContact CG2-CD1 3.76Å; T301-I362 HydrophobicContact CG2-CG1 4.35Å; T301-I362 HydrophobicContact CG2-CG2 4.02Å
302	G	94.1	Very high	94	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.01	27%	0.271	C	S	.	.	S	Bend	trans	72.4	-4.9	-168.1	0	0	0	0	0	115	P254 P299 G300	P254-G302 WeakPolarHBondContact O-CA 3.28Å; P299-G302 PolarHBondContact O-N 3.01Å; G300-G302 VanDerWaalsContact C-N 3.35Å
303	M	94.9	Very high	94.1	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	30%	0.295	C	S	.	.			trans	-95.5	119.5	179.8	-60.3	177.6	-178.3	0	0	109.4	L261 L262 Y265 Y283 P299 T301 T366	L261-M303 HydrophobicContact CB-CE 3.48Å; L261-M303 VanDerWaalsContact CB-CE 3.48Å; L261-M303 HydrophobicContact CD1-CE 4.08Å; L261-M303 HydrophobicContact CG-CE 4.44Å; L262-M303 HydrophobicContact CB-CG 4.34Å; Y265-M303 HydrophobicContact CD2-CE 4.14Å; Y265-M303 HydrophobicContact CE2-CE 3.73Å; Y283-M303 HydrophobicContact CD2-SD 3.79Å; Y283-M303 HydrophobicContact CE2-SD 3.76Å; P299-M303 WeakPolarHBondContact CG-O 3.37Å; T301-M303 PolarHBondContact O-N 3.06Å; T301-M303 PolarHBondContact OG1-N 3.18Å; M303-T366 VanDerWaalsContact O-CG2 3.25Å; M303-T366 WeakPolarHBondContact O-CG2 3.48Å
304	Q	94.3	Very high	94.3	Very high	110 Å²	110	54.5 Å²	54.5	51%	0.514	29%	0.291	S	S	.	.	S	Bend	trans	-95.3	-1.4	-178.3	-61.7	178.9	-77.3	0	0	113.4	I298	I298-Q304 HydrophobicContact CG2-CG 4.07Å
305	R	96.1	Very high	94.6	Very high	40 Å²	40	51.4 Å²	51.4	15%	0.151	28%	0.279	C	S	.	.	S	Bend	trans	-156.5	162	-178.7	55.8	173.5	176.1	80.3	0.1	109.6	L262 D266 L309 L310	L262-R305 HydrophobicContact CD2-CG 3.83Å; D266-R305 IonicContact OD1-CZ 3.21Å; D266-R305 IonicContact OD1-NH1 3.22Å; D266-R305 PolarHBondContact OD1-NH1 3.36Å; D266-R305 IonicContact OD1-NH2 2.84Å; D266-R305 IonicContact OD2-CZ 3.81Å; D266-R305 IonicContact OD2-NH1 3.8Å; D266-R305 PolarHBondContact OD2-NH1 2.8Å; D266-R305 IonicContact OD2-NH2 2.72Å; D266-R305 PolarHBondContact OD2-NH2 2.89Å; R305-L309 HydrophobicContact CB-CB 4.43Å; R305-L309 HydrophobicContact CB-CD2 3.7Å; R305-L310 VanDerWaalsContact NH2-CD1 3.34Å
306	V	97.9	Very high	95	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.27	C	S	.	.			trans	-68.3	152.7	167.6	-58.6	0	0	0	0	111.5	Y283 L309 A315 R316 G367	Y283-V306 HydrophobicContact CE1-CB 4.43Å; Y283-V306 HydrophobicContact CE1-CG1 4.24Å; V306-L309 HydrophobicContact CG2-CB 3.94Å; V306-L309 HydrophobicContact CG2-CD1 4.43Å; V306-L309 WeakPolarHBondContact O-CB 3.09Å; V306-A315 HydrophobicContact CG2-CB 3.91Å; V306-R316 HydrophobicContact CG1-CG 4.48Å; V306-R316 HydrophobicContact CG2-CG 3.89Å; V306-G367 WeakPolarHBondContact CG1-O 3.5Å
307	P	98.3	Very high	95.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	141.6	170.1	-25.5	35.9	0	0	0	112.6	L262 Y265 D266 V269 Y283 L309	L262-P307 HydrophobicContact CD1-CB 4.37Å; L262-P307 HydrophobicContact CD1-CG 4.01Å; Y265-P307 HydrophobicContact CD2-CG 4.02Å; Y265-P307 HydrophobicContact CG-CG 4.29Å; D266-P307 WeakPolarHBondContact OD1-CA 3.47Å; V269-P307 HydrophobicContact CG2-CB 3.81Å; Y283-P307 HydrophobicContact CD1-CG 3.96Å; Y283-P307 HydrophobicContact CD2-CG 3.99Å; Y283-P307 HydrophobicContact CG-CG 3.67Å; P307-L309 VanDerWaalsContact C-N 3.27Å; P307-L309 PolarHBondContact O-N 3.06Å
308	G	98	Very high	95.9	Very high	4 Å²	4	47.3 Å²	47.3	4%	0.041	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	81	-6.7	178.3	0	0	0	0	0	115.6	D266 L310 Q311 D312	D266-G308 PolarHBondContact OD1-N 2.78Å; G308-L310 PolarHBondContact O-N 3.16Å; G308-L310 VanDerWaalsContact O-N 3.15Å; G308-Q311 PolarHBondContact O-N 2.85Å; G308-Q311 PolarHBondContact O-OE1 2.75Å; G308-D312 PolarHBondContact O-N 3.14Å
309	L	97.8	Very high	96.3	Very high	37 Å²	37	45.7 Å²	45.7	19%	0.194	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-27.9	-177.4	-172.2	63.6	0	0	0	113.6	R305 V306 P307 Q311 A315 R316	R305-L309 HydrophobicContact CB-CB 4.43Å; R305-L309 HydrophobicContact CB-CD2 3.7Å; V306-L309 HydrophobicContact CG2-CB 3.94Å; V306-L309 HydrophobicContact CG2-CD1 4.43Å; V306-L309 WeakPolarHBondContact O-CB 3.09Å; P307-L309 VanDerWaalsContact C-N 3.27Å; P307-L309 PolarHBondContact O-N 3.06Å; L309-Q311 PolarHBondContact O-N 3.3Å; L309-A315 HydrophobicContact CB-CB 4.33Å; L309-A315 HydrophobicContact CD1-CB 4.25Å; L309-R316 HydrophobicContact CD1-CG 4.11Å
310	L	96.7	Very high	96.5	Very high	121 Å²	121	45.5 Å²	45.5	63%	0.634	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-19.1	178	-62.5	-178.3	0	0	0	112.9	R305 G308	R305-L310 VanDerWaalsContact NH2-CD1 3.34Å; G308-L310 PolarHBondContact O-N 3.16Å; G308-L310 VanDerWaalsContact O-N 3.15Å
311	Q	96.5	Very high	96.9	Very high	126 Å²	126	45.3 Å²	45.3	59%	0.589	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.7	-27	-178.1	-62.5	80.7	15	0	0	112.6	G308 L309	G308-Q311 PolarHBondContact O-N 2.85Å; G308-Q311 PolarHBondContact O-OE1 2.75Å; L309-Q311 PolarHBondContact O-N 3.3Å
312	D	96.9	Very high	97.1	Very high	49 Å²	49	45.3 Å²	45.3	26%	0.262	22%	0.217	S	C	.	.			trans	-138.8	110.2	-178.4	-179	1.3	0	0	0	109.8	G308 T314 A315 K318	G308-D312 PolarHBondContact O-N 3.14Å; D312-T314 PolarHBondContact O-N 3.28Å; D312-T314 VanDerWaalsContact O-N 3.13Å; D312-T314 WeakPolarHBondContact OD1-CA 3.12Å; D312-T314 WeakPolarHBondContact OD1-CB 3.34Å; D312-T314 PolarHBondContact OD1-N 3.32Å; D312-T314 PolarHBondContact OD1-OG1 2.78Å; D312-T314 PolarHBondContact OD2-OG1 2.76Å; D312-T314 VanDerWaalsContact OD2-OG1 3.09Å; D312-A315 WeakPolarHBondContact O-CB 3.19Å; D312-A315 PolarHBondContact O-N 2.87Å; D312-K318 IonicContact OD2-NZ 2.72Å
313	E	95.1	Very high	97.3	Very high	178 Å²	178	45.5 Å²	45.5	83%	0.832	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-60.8	-21.9	177.2	-64.7	-177.4	169.8	0	0	112.5	A315	E313-A315 VanDerWaalsContact C-N 3.29Å; E313-A315 PolarHBondContact O-N 3.36Å
314	T	96.2	Very high	97.4	Very high	60 Å²	60	45.7 Å²	45.7	37%	0.368	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-84.6	1.3	176.5	76.1	0	0	0	0	113.4	D312 R316 K317 K318	D312-T314 PolarHBondContact O-N 3.28Å; D312-T314 VanDerWaalsContact O-N 3.13Å; D312-T314 WeakPolarHBondContact OD1-CA 3.12Å; D312-T314 WeakPolarHBondContact OD1-CB 3.34Å; D312-T314 PolarHBondContact OD1-N 3.32Å; D312-T314 PolarHBondContact OD1-OG1 2.78Å; D312-T314 PolarHBondContact OD2-OG1 2.76Å; D312-T314 VanDerWaalsContact OD2-OG1 3.09Å; T314-R316 PolarHBondContact O-N 2.93Å; T314-R316 VanDerWaalsContact O-N 3.13Å; T314-K317 WeakPolarHBondContact O-CB 3.47Å; T314-K317 PolarHBondContact O-N 3.15Å; T314-K318 PolarHBondContact OG1-NZ 3.44Å
315	A	98	Very high	97.6	Very high	6 Å²	6	40.5 Å²	40.5	5%	0.05	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-55.3	-33.4	-178	0	0	0	0	0	113.1	V306 L309 D312 E313 K317 K318 S319	V306-A315 HydrophobicContact CG2-CB 3.91Å; L309-A315 HydrophobicContact CB-CB 4.33Å; L309-A315 HydrophobicContact CD1-CB 4.25Å; D312-A315 WeakPolarHBondContact O-CB 3.19Å; D312-A315 PolarHBondContact O-N 2.87Å; E313-A315 VanDerWaalsContact C-N 3.29Å; E313-A315 PolarHBondContact O-N 3.36Å; A315-K317 PolarHBondContact O-N 2.86Å; A315-K318 CarbonylContact O-C 3.57Å; A315-K318 WeakPolarHBondContact O-CA 3.04Å; A315-K318 PolarHBondContact O-N 2.71Å; A315-S319 WeakPolarHBondContact O-CB 3.46Å; A315-S319 PolarHBondContact O-N 3.01Å; A315-S319 VanDerWaalsContact O-N 3.13Å; A315-S319 PolarHBondContact O-OG 2.56Å; A315-S319 VanDerWaalsContact O-OG 3.08Å
316	R	97.9	Very high	97.5	Very high	87 Å²	87	40.6 Å²	40.6	33%	0.328	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-59.3	-32.5	175.4	-69	177.3	172.1	170.1	1	113	D51 V306 L309 T314 K318 T366 G368	D51-R316 WeakPolarHBondContact OD1-CB 3.4Å; D51-R316 WeakPolarHBondContact OD1-CD 3.48Å; V306-R316 HydrophobicContact CG1-CG 4.48Å; V306-R316 HydrophobicContact CG2-CG 3.89Å; L309-R316 HydrophobicContact CD1-CG 4.11Å; T314-R316 PolarHBondContact O-N 2.93Å; T314-R316 VanDerWaalsContact O-N 3.13Å; R316-K318 PolarHBondContact O-N 3.19Å; R316-T366 PolarHBondContact NE-O 3.35Å; R316-T366 VanDerWaalsContact NE-O 3.1Å; R316-G368 VanDerWaalsContact O-CA 3.3Å; R316-G368 WeakPolarHBondContact O-CA 3.46Å
317	K	98.2	Very high	97.3	Very high	98 Å²	98	40.9 Å²	40.9	43%	0.426	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-74.8	-2.1	175.5	-59.4	-174.9	176.7	-176.6	0	113.3	I49 D51 T314 A315	I49-K317 PolarHBondContact N-O 2.98Å; I49-K317 WeakPolarHBondContact O-CA 3.36Å; I49-K317 WeakPolarHBondContact O-CB 3.33Å; D51-K317 HydrophobicContact CB-CG 4.05Å; T314-K317 WeakPolarHBondContact O-CB 3.47Å; T314-K317 PolarHBondContact O-N 3.15Å; A315-K317 PolarHBondContact O-N 2.86Å
318	K	97.8	Very high	97	Very high	30 Å²	30	46.8 Å²	46.8	13%	0.13	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-137.7	16.4	-169.5	-52.8	178.1	-175.6	175.4	0	113.1	K277 L280 I281 D312 T314 A315 R316	K277-K318 WeakPolarHBondContact O-CD 3.19Å; K277-K318 PolarHBondContact O-NZ 3.34Å; L280-K318 WeakPolarHBondContact CA-O 3.2Å; I281-K318 PolarHBondContact N-O 3.28Å; D312-K318 IonicContact OD2-NZ 2.72Å; T314-K318 PolarHBondContact OG1-NZ 3.44Å; A315-K318 CarbonylContact O-C 3.57Å; A315-K318 WeakPolarHBondContact O-CA 3.04Å; A315-K318 PolarHBondContact O-N 2.71Å; R316-K318 PolarHBondContact O-N 3.19Å
319	S	98.6	Very high	96.7	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.014	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	139.5	-176.2	-68.4	0	0	0	0	111	I281 A315 G368 G369	I281-S319 CarbonylContact O-C 3.59Å; I281-S319 WeakPolarHBondContact O-CA 3.27Å; A315-S319 WeakPolarHBondContact O-CB 3.46Å; A315-S319 PolarHBondContact O-N 3.01Å; A315-S319 VanDerWaalsContact O-N 3.13Å; A315-S319 PolarHBondContact O-OG 2.56Å; A315-S319 VanDerWaalsContact O-OG 3.08Å; S319-G368 CarbonylContact O-C 3.57Å; S319-G368 VanDerWaalsContact O-CA 3.23Å; S319-G368 WeakPolarHBondContact O-CA 3.34Å; S319-G369 PolarHBondContact O-N 3.39Å
320	V	98.8	Very high	96.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	124.7	-175.2	-177.5	0	0	0	0	108.3	I49 F56 L280 I281 F282 Y283 S322 G369 F371	I49-V320 HydrophobicContact CD1-CG2 3.91Å; I49-V320 HydrophobicContact CG1-CG2 4.18Å; F56-V320 HydrophobicContact CE1-CG1 4.41Å; F56-V320 HydrophobicContact CE1-CG2 3.74Å; F56-V320 HydrophobicContact CZ-CG1 3.87Å; F56-V320 HydrophobicContact CZ-CG2 4Å; L280-V320 HydrophobicContact CB-CG2 4.3Å; L280-V320 HydrophobicContact CD1-CG2 4.03Å; I281-V320 PolarHBondContact O-N 3.48Å; F282-V320 WeakPolarHBondContact CA-O 3.44Å; F282-V320 HydrophobicContact CD1-CB 4.01Å; F282-V320 HydrophobicContact CD1-CG1 3.82Å; F282-V320 HydrophobicContact CD2-CB 4.21Å; F282-V320 HydrophobicContact CD2-CG2 4.37Å; F282-V320 HydrophobicContact CE1-CB 4.07Å; F282-V320 HydrophobicContact CE1-CG1 3.63Å; F282-V320 HydrophobicContact CE1-CG2 4.46Å; F282-V320 HydrophobicContact CE2-CB 4.24Å; F282-V320 HydrophobicContact CE2-CG2 4.04Å; F282-V320 HydrophobicContact CG-CB 4.08Å; F282-V320 HydrophobicContact CG-CG1 4.4Å; F282-V320 HydrophobicContact CZ-CB 4.18Å; F282-V320 HydrophobicContact CZ-CG1 4.05Å; F282-V320 HydrophobicContact CZ-CG2 4.09Å; Y283-V320 WeakPolarHBondContact CD1-O 3.13Å; Y283-V320 VanDerWaalsContact CE1-C 3.49Å; Y283-V320 WeakPolarHBondContact CE1-O 3.43Å; Y283-V320 PolarHBondContact N-O 3.24Å; V320-S322 PolarHBondContact O-N 3.07Å; V320-S322 VanDerWaalsContact O-N 3.13Å; V320-G369 WeakPolarHBondContact CA-O 3.41Å; V320-F371 HydrophobicContact CG1-CB 3.68Å
321	L	98.5	Very high	95.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	106.6	167.3	178.8	62.2	0	0	0	108.3	Y283 V359 I362 V363 G369 R370 F371	Y283-L321 HydrophobicContact CD2-CD1 4.37Å; Y283-L321 HydrophobicContact CE1-CB 4.49Å; Y283-L321 HydrophobicContact CE2-CD1 3.87Å; L321-V359 HydrophobicContact CD2-CG1 4.24Å; L321-I362 HydrophobicContact CD2-CB 4.29Å; L321-I362 HydrophobicContact CD2-CG2 3.72Å; L321-V363 HydrophobicContact CB-CG2 4Å; L321-V363 HydrophobicContact CD2-CG2 4.03Å; L321-G369 PolarHBondContact N-O 3.29Å; L321-R370 WeakPolarHBondContact O-CA 3.41Å; L321-F371 PolarHBondContact O-N 2.95Å
322	S	98.7	Very high	95.4	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.007	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	131.6	168.4	177.2	0	0	0	0	107.6	D235 Y283 E284 V320 T373	D235-S322 PolarHBondContact OD2-OG 2.74Å; D235-S322 VanDerWaalsContact OD2-OG 3.14Å; Y283-S322 PolarHBondContact O-N 3.33Å; E284-S322 VanDerWaalsContact CG-CB 3.48Å; E284-S322 VanDerWaalsContact CG-OG 3.32Å; E284-S322 WeakPolarHBondContact CG-OG 3.24Å; E284-S322 PolarHBondContact OE1-OG 3.35Å; V320-S322 PolarHBondContact O-N 3.07Å; V320-S322 VanDerWaalsContact O-N 3.13Å; S322-T373 WeakPolarHBondContact OG-CB 3.49Å; S322-T373 WeakPolarHBondContact OG-CG2 3.26Å; S322-T373 PolarHBondContact OG-OG1 2.81Å
323	Y	98.3	Very high	95	Very high	5 Å²	5	44.5 Å²	44.5	2%	0.02	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	152.3	178.7	75.7	-82.6	0	0	0	112.3	I290 V359 R370 F371 L372 T373 E404	I290-Y323 HydrophobicContact CD1-CD2 3.69Å; I290-Y323 HydrophobicContact CD1-CE2 4.49Å; I290-Y323 HydrophobicContact CD1-CG 4.47Å; I290-Y323 HydrophobicContact CG2-CG 4.47Å; Y323-V359 HydrophobicContact CD1-CG1 3.86Å; Y323-V359 HydrophobicContact CD1-CG2 4.11Å; Y323-V359 HydrophobicContact CD2-CG2 3.88Å; Y323-V359 HydrophobicContact CE1-CB 4.4Å; Y323-V359 HydrophobicContact CE1-CG1 3.61Å; Y323-V359 HydrophobicContact CE1-CG2 4.21Å; Y323-V359 HydrophobicContact CE2-CG2 3.94Å; Y323-V359 HydrophobicContact CG-CG2 3.94Å; Y323-R370 HydrophobicContact CE1-CB 4.44Å; Y323-F371 WeakPolarHBondContact CD1-O 3.24Å; Y323-F371 VanDerWaalsContact CE1-C 3.47Å; Y323-F371 WeakPolarHBondContact CE1-O 3.37Å; Y323-F371 PolarHBondContact N-O 3.48Å; Y323-L372 HydrophobicContact CD2-CD1 3.94Å; Y323-L372 HydrophobicContact CE1-CB 4.15Å; Y323-L372 HydrophobicContact CE2-CB 4.22Å; Y323-L372 HydrophobicContact CE2-CD1 3.53Å; Y323-L372 HydrophobicContact CE2-CG 4.44Å; Y323-L372 CarbonylContact O-C 3.49Å; Y323-L372 WeakPolarHBondContact O-CA 3.49Å; Y323-T373 PolarHBondContact N-OG1 3.01Å; Y323-T373 PolarHBondContact O-N 2.97Å; Y323-T373 PolarHBondContact O-OG1 2.64Å; Y323-E404 VanDerWaalsContact OH-CD 3.24Å; Y323-E404 WeakPolarHBondContact OH-CG 3.37Å
324	H	97.5	Very high	94.7	Very high	6 Å²	6	39.4 Å²	39.4	3%	0.028	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	149.9	-178.4	-57.2	175.9	0	0	0	111.5	N238 E239 E284 I290 Y326 T373 E374	N238-H324 PolarHBondContact OD1-CE1 3.44Å; N238-H324 VanDerWaalsContact OD1-CE1 3.25Å; E239-H324 VanDerWaalsContact CG-CE1 3.44Å; E239-H324 WeakPolarHBondContact CG-CE1 3.34Å; E239-H324 WeakPolarHBondContact CG-ND1 3.33Å; E239-H324 IonicContact OE1-CE1 3.35Å; E239-H324 IonicContact OE1-CG 3.56Å; E239-H324 IonicContact OE1-ND1 3.72Å; E239-H324 PolarHBondContact OE1-ND1 2.87Å; E284-H324 IonicContact OE1-CE1 3.32Å; E284-H324 IonicContact OE1-NE2 2.77Å; E284-H324 IonicContact OE2-CE1 3.37Å; E284-H324 IonicContact OE2-NE2 2.58Å; I290-H324 WeakPolarHBondContact CD1-O 3.17Å; H324-Y326 HydrophobicContact CB-CD2 4.4Å; H324-Y326 HydrophobicContact CB-CE2 4.08Å; H324-T373 PolarHBondContact CD2-OG1 2.7Å; H324-T373 PolarHBondContact NE2-OG1 3.2Å; H324-E374 CarbonylContact C-O 3.33Å; H324-E374 WeakPolarHBondContact CA-O 3.31Å; H324-E374 HydrophobicContact CB-CB 4.05Å; H324-E374 VanDerWaalsContact CD2-CB 3.47Å; H324-E374 WeakPolarHBondContact CD2-CB 3.48Å; H324-E374 PolarHBondContact CD2-N 3.36Å; H324-E374 IonicContact CE1-OE1 2.78Å; H324-E374 PolarHBondContact CE1-OE1 2.79Å; H324-E374 IonicContact CE1-OE2 2.87Å; H324-E374 IonicContact ND1-OE2 3.77Å; H324-E374 WeakPolarHBondContact NE2-CG 3.42Å; H324-E374 IonicContact NE2-OE1 3.27Å
325	Y	97.1	Very high	94.5	Very high	1 Å²	1	37.9 Å²	37.9	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	120.5	173.5	177.8	-89.1	0	0	0	111.2	F291 C347 L352 A355 E374 F375 E391 V395	F291-Y325 HydrophobicContact CE1-CD2 4.2Å; F291-Y325 HydrophobicContact CE1-CE2 4.14Å; F291-Y325 AromaticContact CZ-CD2 3.9Å; F291-Y325 HydrophobicContact CZ-CD2 3.9Å; F291-Y325 HydrophobicContact CZ-CE2 4.16Å; Y325-C347 PolarHBondContact OH-O 3.31Å; Y325-L352 HydrophobicContact CD1-CD1 3.9Å; Y325-L352 HydrophobicContact CD2-CD1 4.24Å; Y325-L352 HydrophobicContact CE1-CD1 3.62Å; Y325-L352 HydrophobicContact CE2-CB 4.16Å; Y325-L352 HydrophobicContact CE2-CD1 3.97Å; Y325-L352 HydrophobicContact CG-CD1 4.21Å; Y325-L352 WeakPolarHBondContact OH-CB 3.41Å; Y325-L352 PolarHBondContact OH-N 2.95Å; Y325-A355 HydrophobicContact CD2-CB 3.97Å; Y325-A355 HydrophobicContact CE2-CB 4.29Å; Y325-E374 PolarHBondContact N-O 2.93Å; Y325-F375 VanDerWaalsContact O-CA 3.29Å; Y325-F375 WeakPolarHBondContact O-CA 3.46Å; Y325-F375 WeakPolarHBondContact O-CB 3.46Å; Y325-E391 WeakPolarHBondContact CE1-OE1 3.49Å; Y325-V395 HydrophobicContact CD1-CG2 3.85Å; Y325-V395 HydrophobicContact CE1-CG2 3.75Å
326	Y	94.6	Very high	94.2	Very high	42 Å²	42	42 Å²	42	17%	0.165	22%	0.216	C	C	.	.			trans	-134.9	128	169.3	-62.3	-85.5	0	0	0	108.6	H324 W328 E374 G376 L377 W409	H324-Y326 HydrophobicContact CB-CD2 4.4Å; H324-Y326 HydrophobicContact CB-CE2 4.08Å; Y326-W328 PolarHBondContact O-N 3.41Å; Y326-W328 VanDerWaalsContact O-N 3.12Å; Y326-E374 HydrophobicContact CE2-CB 4.25Å; Y326-E374 PolarHBondContact OH-OE2 2.88Å; Y326-G376 VanDerWaalsContact CE1-N 3.29Å; Y326-L377 HydrophobicContact CD1-CB 4.5Å; Y326-L377 HydrophobicContact CD1-CD1 3.82Å; Y326-L377 HydrophobicContact CD1-CG 3.8Å; Y326-L377 HydrophobicContact CE1-CG 4.1Å; Y326-L377 HydrophobicContact CG-CD1 4.48Å; Y326-W409 WeakPolarHBondContact OH-CB 3.22Å; Y326-W409 VanDerWaalsContact OH-CG 3.26Å
327	C	94.8	Very high	94.1	Very high	6 Å²	6	42.8 Å²	42.8	4%	0.041	22%	0.223	C	C	.	.			trans	-77.7	97.2	171.6	-167.2	0	0	0	0	110.3	L329 L330 C347	C327-L329 PolarHBondContact O-N 2.98Å; C327-L330 HydrophobicContact CB-CD1 3.81Å; C327-L330 HydrophobicContact CB-CG 3.94Å; C327-L330 WeakPolarHBondContact O-CB 3.01Å; C327-L330 PolarHBondContact O-N 3.01Å; C327-C347 HydrophobicContact CB-CB 3.8Å; C327-C347 WeakPolarHBondContact CB-SG 3.45Å; C327-C347 WeakPolarHBondContact SG-CB 3.49Å; C327-C347 CovalentContact SG-SG 2.04Å; C327-C347 PolarHBondContact SG-SG 3.15Å
328	W	90.2	Very high	94	Very high	124 Å²	124	43.3 Å²	43.3	47%	0.47	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-19.2	-178.2	63.5	82.7	0	0	0	114.4	F291 Y326 L330 L351	F291-W328 HydrophobicContact CD1-CH2 4.43Å; F291-W328 HydrophobicContact CD1-CZ3 4.17Å; F291-W328 HydrophobicContact CD2-CZ3 4.35Å; F291-W328 AromaticContact CE1-CZ3 3.98Å; F291-W328 HydrophobicContact CE1-CZ3 3.98Å; F291-W328 HydrophobicContact CE2-CZ3 4.17Å; F291-W328 HydrophobicContact CG-CZ3 4.35Å; F291-W328 AromaticContact CZ-CZ3 3.98Å; F291-W328 HydrophobicContact CZ-CZ3 3.98Å; Y326-W328 PolarHBondContact O-N 3.41Å; Y326-W328 VanDerWaalsContact O-N 3.12Å; W328-L330 PolarHBondContact O-N 3.07Å; W328-L351 HydrophobicContact CH2-CD1 3.84Å; W328-L351 HydrophobicContact CH2-CD2 3.48Å; W328-L351 VanDerWaalsContact CH2-CD2 3.48Å; W328-L351 HydrophobicContact CH2-CG 4.28Å; W328-L351 HydrophobicContact CZ2-CD1 3.8Å; W328-L351 HydrophobicContact CZ2-CD2 3.89Å; W328-L351 HydrophobicContact CZ3-CD1 4.24Å; W328-L351 HydrophobicContact CZ3-CD2 4.31Å
329	L	92.4	Very high	93.9	Very high	41 Å²	41	42.2 Å²	42.2	22%	0.215	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-20.3	174.5	-61.9	176.3	0	0	0	112.5	C327 S332 K343 L346 L351	C327-L329 PolarHBondContact O-N 2.98Å; L329-S332 PolarHBondContact O-OG 3.44Å; L329-K343 WeakPolarHBondContact O-CE 3.28Å; L329-K343 PolarHBondContact O-NZ 2.81Å; L329-L346 HydrophobicContact CD1-CB 3.57Å; L329-L346 HydrophobicContact CD1-CD1 3.67Å; L329-L346 HydrophobicContact CD1-CG 4.29Å; L329-L351 HydrophobicContact CD1-CD1 4.19Å
330	L	92.1	Very high	93.7	Very high	13 Å²	13	43.8 Å²	43.8	7%	0.068	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-24.1	-176.5	-54.2	-179	0	0	0	113	C327 W328 S332 T333 M339 K343 I387 E391	C327-L330 HydrophobicContact CB-CD1 3.81Å; C327-L330 HydrophobicContact CB-CG 3.94Å; C327-L330 WeakPolarHBondContact O-CB 3.01Å; C327-L330 PolarHBondContact O-N 3.01Å; W328-L330 PolarHBondContact O-N 3.07Å; L330-S332 PolarHBondContact O-N 2.05Å; L330-T333 PolarHBondContact O-N 3.39Å; L330-T333 VanDerWaalsContact O-O 3.06Å; L330-M339 HydrophobicContact CD1-CE 4.03Å; L330-M339 HydrophobicContact CD2-CE 3.44Å; L330-M339 VanDerWaalsContact CD2-CE 3.44Å; L330-M339 HydrophobicContact CD2-SD 3.46Å; L330-M339 WeakPolarHBondContact CD2-SD 3.47Å; L330-M339 HydrophobicContact CG-CE 4.33Å; L330-K343 HydrophobicContact CD2-CB 4.23Å; L330-K343 HydrophobicContact CD2-CD 4.04Å; L330-I387 HydrophobicContact CB-CG2 4.23Å; L330-I387 HydrophobicContact CD1-CG2 3.97Å; L330-I387 HydrophobicContact CD2-CG2 4.18Å; L330-I387 HydrophobicContact CG-CG2 4.34Å; L330-E391 HydrophobicContact CD1-CB 3.89Å; L330-E391 VanDerWaalsContact CD1-CD 3.43Å; L330-E391 HydrophobicContact CD1-CG 3.63Å; L330-E391 WeakPolarHBondContact CD1-OE2 3.31Å
331	E	86.8	Confident	93.5	Very high	108 Å²	108	48.4 Å²	48.4	51%	0.505	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-24.6	-178.5	-69.6	176.4	-146.5	0	0	114	T333 L377	E331-T333 VanDerWaalsContact C-N 3.35Å; E331-L377 HydrophobicContact CG-CD1 3.78Å
332	S	85	Confident	93.3	Very high	97 Å²	97	55.6 Å²	55.6	68%	0.678	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-3.7	179.6	59.9	0	0	0	0	114.7	L329 L330 K343	L329-S332 PolarHBondContact O-OG 3.44Å; L330-S332 PolarHBondContact O-N 2.05Å; S332-K343 PolarHBondContact OG-NZ 2.91Å
333	T	87.6	Confident	93.2	Very high	30 Å²	30	56 Å²	56	18%	0.184	29%	0.294	C	S	.	.	S	Bend	trans	-129.2	134.6	-176.3	-58.1	0	0	0	0	110.1	L330 E331 A335 E337 K343 I387	L330-T333 PolarHBondContact O-N 3.39Å; L330-T333 VanDerWaalsContact O-O 3.06Å; E331-T333 VanDerWaalsContact C-N 3.35Å; T333-A335 PolarHBondContact O-N 2.99Å; T333-E337 HydrophobicContact CG2-CB 4.15Å; T333-E337 WeakPolarHBondContact CG2-OE2 3.38Å; T333-K343 PolarHBondContact OG1-NZ 2.91Å; T333-I387 HydrophobicContact CG2-CD1 3.51Å
334	P	90.6	Very high	93.1	Very high	71 Å²	71	62.1 Å²	62.1	46%	0.461	32%	0.317	S	S	.	.			trans	-54.5	129.8	174.6	-24.3	34.1	0	0	0	111.3	T336 E337	P334-T336 PolarHBondContact O-N 3.25Å; P334-T336 VanDerWaalsContact O-N 3.1Å; P334-E337 HydrophobicContact CB-CG 4.19Å; P334-E337 WeakPolarHBondContact CD-OE1 3.5Å; P334-E337 HydrophobicContact CG-CG 4.48Å; P334-E337 WeakPolarHBondContact CG-OE1 3.5Å; P334-E337 WeakPolarHBondContact O-CB 3.38Å; P334-E337 PolarHBondContact O-N 3.32Å
335	A	90.8	Very high	93	Very high	28 Å²	28	66.8 Å²	66.8	23%	0.231	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-16.4	-171.8	0	0	0	0	0	114	T333 E337 I387 N388	T333-A335 PolarHBondContact O-N 2.99Å; A335-E337 VanDerWaalsContact C-N 3.31Å; A335-I387 HydrophobicContact CB-CG2 4.42Å; A335-I387 WeakPolarHBondContact O-CB 3.39Å; A335-I387 PolarHBondContact O-N 2.99Å; A335-N388 WeakPolarHBondContact CB-OD1 3.46Å; A335-N388 WeakPolarHBondContact O-CB 3.48Å; A335-N388 PolarHBondContact O-N 3.38Å; A335-N388 PolarHBondContact O-ND2 2.96Å
336	T	92.5	Very high	93	Very high	93 Å²	93	69.5 Å²	69.5	57%	0.571	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-13.5	174.9	52.5	0	0	0	0	113.5	P334	P334-T336 PolarHBondContact O-N 3.25Å; P334-T336 VanDerWaalsContact O-N 3.1Å
337	E	95	Very high	93.1	Very high	102 Å²	102	67.5 Å²	67.5	48%	0.477	35%	0.345	S	S	.	.	S	Bend	trans	-76.6	160	177.9	-70.2	-176.6	-162.8	0	0	112	T333 P334 A335 M339 S386 I387	T333-E337 HydrophobicContact CG2-CB 4.15Å; T333-E337 WeakPolarHBondContact CG2-OE2 3.38Å; P334-E337 HydrophobicContact CB-CG 4.19Å; P334-E337 WeakPolarHBondContact CD-OE1 3.5Å; P334-E337 HydrophobicContact CG-CG 4.48Å; P334-E337 WeakPolarHBondContact CG-OE1 3.5Å; P334-E337 WeakPolarHBondContact O-CB 3.38Å; P334-E337 PolarHBondContact O-N 3.32Å; A335-E337 VanDerWaalsContact C-N 3.31Å; E337-M339 PolarHBondContact O-N 3.32Å; E337-S386 CarbonylContact O-C 3.52Å; E337-S386 VanDerWaalsContact O-CA 3.31Å; E337-S386 WeakPolarHBondContact O-CA 3.34Å; E337-I387 WeakPolarHBondContact O-CG1 3.36Å; E337-I387 PolarHBondContact O-N 3.22Å
338	H	96.1	Very high	93.2	Very high	110 Å²	110	67.8 Å²	67.8	51%	0.509	35%	0.346	S	S	.	.	B	Isolated β-bridge	trans	-60.8	128.9	175.7	170.8	-72.7	0	0	0	111.2	P340 D385	H338-P340 WeakPolarHBondContact O-CD 3.48Å; H338-D385 CarbonylContact C-O 3.55Å; H338-D385 WeakPolarHBondContact CA-O 3.43Å
339	M	95.3	Very high	93.4	Very high	6 Å²	6	66.9 Å²	66.9	3%	0.03	35%	0.347	C	S	.	.			trans	-67	110.2	177.5	179.7	62.7	148	0	0	111.4	L330 E337 S341 K343 R344 C347 D385 I387 V390	L330-M339 HydrophobicContact CD1-CE 4.03Å; L330-M339 HydrophobicContact CD2-CE 3.44Å; L330-M339 VanDerWaalsContact CD2-CE 3.44Å; L330-M339 HydrophobicContact CD2-SD 3.46Å; L330-M339 WeakPolarHBondContact CD2-SD 3.47Å; L330-M339 HydrophobicContact CG-CE 4.33Å; E337-M339 PolarHBondContact O-N 3.32Å; M339-S341 PolarHBondContact O-N 2.96Å; M339-K343 HydrophobicContact CE-CB 4.21Å; M339-K343 HydrophobicContact SD-CB 3.9Å; M339-R344 HydrophobicContact CE-CB 4.16Å; M339-R344 HydrophobicContact CG-CB 3.82Å; M339-R344 HydrophobicContact CG-CG 4.38Å; M339-C347 HydrophobicContact CE-CB 4.24Å; M339-D385 PolarHBondContact N-O 3.17Å; M339-I387 HydrophobicContact CB-CG1 3.88Å; M339-I387 HydrophobicContact CG-CG1 4.42Å; M339-I387 HydrophobicContact SD-CG1 3.78Å; M339-V390 HydrophobicContact CB-CB 4.17Å; M339-V390 HydrophobicContact CB-CG1 4.28Å; M339-V390 HydrophobicContact CB-CG2 4.18Å; M339-V390 HydrophobicContact CG-CB 4.33Å; M339-V390 HydrophobicContact CG-CG1 3.96Å
340	P	94.4	Very high	93.6	Very high	35 Å²	35	69.1 Å²	69.1	23%	0.227	36%	0.359	C	S	.	.			trans	-60.8	136.6	179.8	-21.6	34.2	0	0	0	111.2	H338 W342 K343 R344	H338-P340 WeakPolarHBondContact O-CD 3.48Å; P340-W342 PolarHBondContact O-N 3.26Å; P340-K343 HydrophobicContact CB-CB 4.44Å; P340-K343 HydrophobicContact CB-CG 4.3Å; P340-K343 HydrophobicContact CG-CD 4.2Å; P340-K343 HydrophobicContact CG-CG 4.29Å; P340-K343 PolarHBondContact O-N 3.31Å; P340-R344 PolarHBondContact O-N 2.83Å
341	S	95.1	Very high	93.8	Very high	97 Å²	97	70 Å²	70	68%	0.678	36%	0.364	S	S	*	.	H	α-helix	trans	-55.9	-33.7	-174.2	-46.2	0	0	0	0	113.7	M339 H345	M339-S341 PolarHBondContact O-N 2.96Å; S341-H345 WeakPolarHBondContact O-CB 3.35Å; S341-H345 PolarHBondContact O-N 3.47Å
342	W	95.6	Very high	94.3	Very high	152 Å²	152	65 Å²	65	58%	0.576	34%	0.34	S	S	*	.	H	α-helix	trans	-71.1	-39	176.6	72.7	-93.8	0	0	0	112.3	P340 H345 L346	P340-W342 PolarHBondContact O-N 3.26Å; W342-H345 PolarHBondContact O-N 3.41Å; W342-L346 HydrophobicContact CE3-CD1 3.69Å; W342-L346 HydrophobicContact CZ3-CD1 3.8Å; W342-L346 WeakPolarHBondContact O-CG 3.36Å; W342-L346 PolarHBondContact O-N 3.25Å; W342-L346 VanDerWaalsContact O-N 3.09Å
343	K	95.5	Very high	94.8	Very high	10 Å²	10	62.9 Å²	62.9	4%	0.043	32%	0.321	C	S	.	.	H	α-helix	trans	-65	-45.7	174.2	-70.7	-163.4	178.6	-167	0	110.1	L329 L330 S332 T333 M339 P340 H345 L346 C347	L329-K343 WeakPolarHBondContact O-CE 3.28Å; L329-K343 PolarHBondContact O-NZ 2.81Å; L330-K343 HydrophobicContact CD2-CB 4.23Å; L330-K343 HydrophobicContact CD2-CD 4.04Å; S332-K343 PolarHBondContact OG-NZ 2.91Å; T333-K343 PolarHBondContact OG1-NZ 2.91Å; M339-K343 HydrophobicContact CE-CB 4.21Å; M339-K343 HydrophobicContact SD-CB 3.9Å; P340-K343 HydrophobicContact CB-CB 4.44Å; P340-K343 HydrophobicContact CB-CG 4.3Å; P340-K343 HydrophobicContact CG-CD 4.2Å; P340-K343 HydrophobicContact CG-CG 4.29Å; P340-K343 PolarHBondContact O-N 3.31Å; K343-H345 VanDerWaalsContact C-N 3.32Å; K343-H345 PolarHBondContact O-N 3.2Å; K343-L346 PolarHBondContact O-N 3.12Å; K343-L346 VanDerWaalsContact O-N 3.15Å; K343-C347 PolarHBondContact O-N 2.88Å; K343-C347 PolarHBondContact O-SG 2.97Å
344	R	96	Very high	95.2	Very high	133 Å²	133	65.6 Å²	65.6	50%	0.502	33%	0.329	S	S	.	.	H	α-helix	trans	-54.1	-47.1	174.3	-169.7	178.1	174.7	176.6	-3.1	112.3	M339 P340 L346 D348 V390	M339-R344 HydrophobicContact CE-CB 4.16Å; M339-R344 HydrophobicContact CG-CB 3.82Å; M339-R344 HydrophobicContact CG-CG 4.38Å; P340-R344 PolarHBondContact O-N 2.83Å; R344-L346 PolarHBondContact O-N 3.3Å; R344-D348 WeakPolarHBondContact CG-OD2 3.38Å; R344-D348 IonicContact NE-OD2 3.4Å; R344-D348 PolarHBondContact NE-OD2 3.24Å; R344-D348 VanDerWaalsContact O-CB 3.23Å; R344-D348 WeakPolarHBondContact O-CB 3.48Å; R344-D348 VanDerWaalsContact O-CG 3.22Å; R344-D348 PolarHBondContact O-N 2.91Å; R344-V390 HydrophobicContact CG-CG1 4.12Å
345	H	96.5	Very high	95.5	Very high	103 Å²	103	62.2 Å²	62.2	48%	0.477	31%	0.307	S	S	.	.	I	π-helix	trans	-61.7	-45.2	178	-175.9	77	0	0	0	111.9	S341 W342 K343 Q349 L350	S341-H345 WeakPolarHBondContact O-CB 3.35Å; S341-H345 PolarHBondContact O-N 3.47Å; W342-H345 PolarHBondContact O-N 3.41Å; K343-H345 VanDerWaalsContact C-N 3.32Å; K343-H345 PolarHBondContact O-N 3.2Å; H345-Q349 WeakPolarHBondContact O-CA 3.42Å; H345-Q349 VanDerWaalsContact O-CB 3.26Å; H345-Q349 WeakPolarHBondContact O-CB 3.47Å; H345-Q349 PolarHBondContact O-N 2.83Å; H345-L350 PolarHBondContact O-N 3.3Å
346	L	96.8	Very high	95.9	Very high	59 Å²	59	60.9 Å²	60.9	31%	0.309	30%	0.296	S	S	.	.	I	π-helix	trans	-67.6	-45.4	-179.8	-65.9	179.6	0	0	0	112.6	L329 W342 K343 R344 L350 L351	L329-L346 HydrophobicContact CD1-CB 3.57Å; L329-L346 HydrophobicContact CD1-CD1 3.67Å; L329-L346 HydrophobicContact CD1-CG 4.29Å; W342-L346 HydrophobicContact CE3-CD1 3.69Å; W342-L346 HydrophobicContact CZ3-CD1 3.8Å; W342-L346 WeakPolarHBondContact O-CG 3.36Å; W342-L346 PolarHBondContact O-N 3.25Å; W342-L346 VanDerWaalsContact O-N 3.09Å; K343-L346 PolarHBondContact O-N 3.12Å; K343-L346 VanDerWaalsContact O-N 3.15Å; R344-L346 PolarHBondContact O-N 3.3Å; L346-L350 HydrophobicContact CD2-CD1 3.61Å; L346-L350 WeakPolarHBondContact O-CB 3.41Å; L346-L351 WeakPolarHBondContact O-CB 3.34Å; L346-L351 WeakPolarHBondContact O-CG 3.41Å; L346-L351 PolarHBondContact O-N 3.18Å
347	C	96.9	Very high	96.1	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	30%	0.299	C	S	.	.	I	π-helix	trans	-67.6	-60.8	178.1	-62.5	0	0	0	0	110.7	Y325 C327 M339 K343 L351 L352	Y325-C347 PolarHBondContact OH-O 3.31Å; C327-C347 HydrophobicContact CB-CB 3.8Å; C327-C347 WeakPolarHBondContact CB-SG 3.45Å; C327-C347 WeakPolarHBondContact SG-CB 3.49Å; C327-C347 CovalentContact SG-SG 2.04Å; C327-C347 PolarHBondContact SG-SG 3.15Å; M339-C347 HydrophobicContact CE-CB 4.24Å; K343-C347 PolarHBondContact O-N 2.88Å; K343-C347 PolarHBondContact O-SG 2.97Å; C347-L351 PolarHBondContact O-N 3.2Å; C347-L352 WeakPolarHBondContact O-CB 3.27Å; C347-L352 PolarHBondContact O-N 3.28Å
348	D	95.8	Very high	96.1	Very high	11 Å²	11	59.1 Å²	59.1	6%	0.059	28%	0.279	C	S	.	.	I	π-helix	trans	-72.8	-46.6	-169.2	-53.5	6.5	0	0	0	112.5	R344 N353 A394	R344-D348 WeakPolarHBondContact CG-OD2 3.38Å; R344-D348 IonicContact NE-OD2 3.4Å; R344-D348 PolarHBondContact NE-OD2 3.24Å; R344-D348 VanDerWaalsContact O-CB 3.23Å; R344-D348 WeakPolarHBondContact O-CB 3.48Å; R344-D348 VanDerWaalsContact O-CG 3.22Å; R344-D348 PolarHBondContact O-N 2.91Å; D348-N353 PolarHBondContact O-ND2 2.66Å; D348-A394 HydrophobicContact CB-CB 4.39Å
349	Q	94.4	Very high	96.2	Very high	106 Å²	106	53.9 Å²	53.9	50%	0.495	26%	0.255	S	S	.	.	I	π-helix	trans	-90	-30	-167.9	-56.9	-59.2	-46	0	0	112.6	H345 N353	H345-Q349 WeakPolarHBondContact O-CA 3.42Å; H345-Q349 VanDerWaalsContact O-CB 3.26Å; H345-Q349 WeakPolarHBondContact O-CB 3.47Å; H345-Q349 PolarHBondContact O-N 2.83Å; Q349-N353 PolarHBondContact O-ND2 3.28Å
350	L	96	Very high	96.2	Very high	87 Å²	87	57.8 Å²	57.8	46%	0.455	27%	0.27	S	S	.	.	I	π-helix	trans	-104.3	-69.3	-178.7	-55.9	-177	0	0	0	112	H345 L346 Y354	H345-L350 PolarHBondContact O-N 3.3Å; L346-L350 HydrophobicContact CD2-CD1 3.61Å; L346-L350 WeakPolarHBondContact O-CB 3.41Å; L350-Y354 WeakPolarHBondContact O-CB 3.49Å; L350-Y354 PolarHBondContact O-N 3.16Å
351	L	96.4	Very high	96.3	Very high	33 Å²	33	58 Å²	58	17%	0.173	27%	0.271	C	S	.	.	I	π-helix	trans	-65.5	-49.8	-169	-68	176.6	0	0	0	112.6	W328 L329 L346 C347 Y354 A355	W328-L351 HydrophobicContact CH2-CD1 3.84Å; W328-L351 HydrophobicContact CH2-CD2 3.48Å; W328-L351 VanDerWaalsContact CH2-CD2 3.48Å; W328-L351 HydrophobicContact CH2-CG 4.28Å; W328-L351 HydrophobicContact CZ2-CD1 3.8Å; W328-L351 HydrophobicContact CZ2-CD2 3.89Å; W328-L351 HydrophobicContact CZ3-CD1 4.24Å; W328-L351 HydrophobicContact CZ3-CD2 4.31Å; L329-L351 HydrophobicContact CD1-CD1 4.19Å; L346-L351 WeakPolarHBondContact O-CB 3.34Å; L346-L351 WeakPolarHBondContact O-CG 3.41Å; L346-L351 PolarHBondContact O-N 3.18Å; C347-L351 PolarHBondContact O-N 3.2Å; L351-Y354 PolarHBondContact O-N 3.12Å; L351-A355 WeakPolarHBondContact O-CB 3.44Å; L351-A355 PolarHBondContact O-N 2.92Å
352	L	97.3	Very high	96.3	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	24%	0.239	C	C	.	.	I	π-helix	trans	-61.3	-54.2	179.8	-177.7	63.4	0	0	0	111.4	Y325 C347 Y354 A355 F356 A394 V395 A398	Y325-L352 HydrophobicContact CD1-CD1 3.9Å; Y325-L352 HydrophobicContact CD2-CD1 4.24Å; Y325-L352 HydrophobicContact CE1-CD1 3.62Å; Y325-L352 HydrophobicContact CE2-CB 4.16Å; Y325-L352 HydrophobicContact CE2-CD1 3.97Å; Y325-L352 HydrophobicContact CG-CD1 4.21Å; Y325-L352 WeakPolarHBondContact OH-CB 3.41Å; Y325-L352 PolarHBondContact OH-N 2.95Å; C347-L352 WeakPolarHBondContact O-CB 3.27Å; C347-L352 PolarHBondContact O-N 3.28Å; L352-Y354 VanDerWaalsContact C-N 3.27Å; L352-Y354 PolarHBondContact O-N 2.04Å; L352-A355 PolarHBondContact O-N 3.41Å; L352-F356 HydrophobicContact CD1-CD2 3.73Å; L352-F356 HydrophobicContact CD1-CE2 3.42Å; L352-F356 VanDerWaalsContact CD1-CE2 3.42Å; L352-F356 HydrophobicContact CG-CD2 4.28Å; L352-F356 HydrophobicContact CG-CE2 4.32Å; L352-F356 WeakPolarHBondContact O-CD2 3.37Å; L352-F356 PolarHBondContact O-N 3.41Å; L352-A394 HydrophobicContact CD2-CB 4.19Å; L352-A394 WeakPolarHBondContact CD2-O 3.4Å; L352-V395 HydrophobicContact CD1-CG2 4.1Å; L352-A398 HydrophobicContact CD1-CB 4.13Å; L352-A398 HydrophobicContact CD2-CB 3.63Å; L352-A398 HydrophobicContact CG-CB 3.8Å
353	N	96.4	Very high	96.3	Very high	54 Å²	54	46.7 Å²	46.7	29%	0.289	22%	0.215	S	C	.	.	H	α-helix	trans	-60.8	-37.7	178.9	-73.7	-29	0	0	0	112	D348 Q349 K357	D348-N353 PolarHBondContact O-ND2 2.66Å; Q349-N353 PolarHBondContact O-ND2 3.28Å; N353-K357 WeakPolarHBondContact O-CB 3.36Å; N353-K357 PolarHBondContact O-N 2.85Å; N353-K357 VanDerWaalsContact O-N 3.08Å
354	Y	96.7	Very high	96.3	Very high	86 Å²	86	53.2 Å²	53.2	34%	0.337	25%	0.246	S	C	.	.	H	α-helix	trans	-63.7	-50.5	174.9	-179.6	-89.2	0	0	0	111.3	F291 P293 L350 L351 L352 F356 K357 N358	F291-Y354 VanDerWaalsContact O-CE1 3.28Å; F291-Y354 WeakPolarHBondContact O-CE1 3.24Å; P293-Y354 VanDerWaalsContact CA-OH 3.3Å; P293-Y354 WeakPolarHBondContact CA-OH 3.44Å; L350-Y354 WeakPolarHBondContact O-CB 3.49Å; L350-Y354 PolarHBondContact O-N 3.16Å; L351-Y354 PolarHBondContact O-N 3.12Å; L352-Y354 VanDerWaalsContact C-N 3.27Å; L352-Y354 PolarHBondContact O-N 2.04Å; Y354-F356 PolarHBondContact O-N 2.72Å; Y354-K357 PolarHBondContact O-N 3.44Å; Y354-N358 HydrophobicContact CD1-CB 4.41Å; Y354-N358 HydrophobicContact CE1-CB 4.08Å; Y354-N358 VanDerWaalsContact O-CB 3.22Å; Y354-N358 WeakPolarHBondContact O-CB 3.44Å; Y354-N358 PolarHBondContact O-N 2.94Å
355	A	97	Very high	96.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-56.7	-51.8	-179	0	0	0	0	0	111.4	I290 F291 Y325 L351 L352 K357 N358 V359	I290-A355 HydrophobicContact CD1-CB 4.42Å; F291-A355 HydrophobicContact CD1-CB 4.35Å; F291-A355 HydrophobicContact CE1-CB 3.85Å; F291-A355 HydrophobicContact CZ-CB 4.43Å; Y325-A355 HydrophobicContact CD2-CB 3.97Å; Y325-A355 HydrophobicContact CE2-CB 4.29Å; L351-A355 WeakPolarHBondContact O-CB 3.44Å; L351-A355 PolarHBondContact O-N 2.92Å; L352-A355 PolarHBondContact O-N 3.41Å; A355-K357 PolarHBondContact O-N 3.11Å; A355-N358 PolarHBondContact O-N 2.92Å; A355-V359 WeakPolarHBondContact O-CB 3.4Å; A355-V359 WeakPolarHBondContact O-CG2 3.22Å; A355-V359 PolarHBondContact O-N 3.41Å
356	F	97.6	Very high	96.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.9	-43.6	178.5	-86.7	-98.7	0	0	0	112.9	L352 Y354 N358 R360 L372 A398 A399 N402 E404	L352-F356 HydrophobicContact CD1-CD2 3.73Å; L352-F356 HydrophobicContact CD1-CE2 3.42Å; L352-F356 VanDerWaalsContact CD1-CE2 3.42Å; L352-F356 HydrophobicContact CG-CD2 4.28Å; L352-F356 HydrophobicContact CG-CE2 4.32Å; L352-F356 WeakPolarHBondContact O-CD2 3.37Å; L352-F356 PolarHBondContact O-N 3.41Å; Y354-F356 PolarHBondContact O-N 2.72Å; F356-N358 VanDerWaalsContact C-N 3.32Å; F356-N358 PolarHBondContact O-N 2.68Å; F356-R360 PolarHBondContact O-N 2.84Å; F356-R360 VanDerWaalsContact O-N 3.1Å; F356-L372 HydrophobicContact CZ-CD2 3.99Å; F356-A398 HydrophobicContact CD2-CB 4.34Å; F356-A398 HydrophobicContact CE2-CB 4.11Å; F356-A398 HydrophobicContact CZ-CB 4.23Å; F356-A399 HydrophobicContact CE1-CB 4.35Å; F356-A399 HydrophobicContact CZ-CB 4.3Å; F356-N402 HydrophobicContact CD1-CB 3.57Å; F356-N402 WeakPolarHBondContact CD1-ND2 3.5Å; F356-N402 HydrophobicContact CE1-CB 4.1Å; F356-E404 HydrophobicContact CD1-CB 4.33Å; F356-E404 HydrophobicContact CD1-CG 4.4Å; F356-E404 HydrophobicContact CE1-CB 3.64Å; F356-E404 HydrophobicContact CE1-CG 3.7Å; F356-E404 HydrophobicContact CZ-CG 4.49Å
357	K	96.6	Very high	96.2	Very high	147 Å²	147	42.1 Å²	42.1	64%	0.639	21%	0.207	S	C	*	.	H	α-helix	trans	-64.5	-39.1	176.7	-178	180	178.5	-179.4	0	111.8	N353 Y354 A355 S361	N353-K357 WeakPolarHBondContact O-CB 3.36Å; N353-K357 PolarHBondContact O-N 2.85Å; N353-K357 VanDerWaalsContact O-N 3.08Å; Y354-K357 PolarHBondContact O-N 3.44Å; A355-K357 PolarHBondContact O-N 3.11Å; K357-S361 PolarHBondContact O-N 3.42Å; K357-S361 PolarHBondContact O-OG 3.27Å
358	N	96.7	Very high	96.2	Very high	11 Å²	11	42.2 Å²	42.2	6%	0.059	21%	0.208	C	C	.	.	H	α-helix	trans	-73	-44.4	-177.4	-160.9	40.9	0	0	0	110.8	I290 F292 Y354 A355 F356 R360 S361 I362	I290-N358 PolarHBondContact O-ND2 3.4Å; F292-N358 PolarHBondContact O-ND2 3.2Å; Y354-N358 HydrophobicContact CD1-CB 4.41Å; Y354-N358 HydrophobicContact CE1-CB 4.08Å; Y354-N358 VanDerWaalsContact O-CB 3.22Å; Y354-N358 WeakPolarHBondContact O-CB 3.44Å; Y354-N358 PolarHBondContact O-N 2.94Å; A355-N358 PolarHBondContact O-N 2.92Å; F356-N358 VanDerWaalsContact C-N 3.32Å; F356-N358 PolarHBondContact O-N 2.68Å; N358-R360 VanDerWaalsContact C-N 3.3Å; N358-R360 PolarHBondContact O-N 3.23Å; N358-S361 CarbonylContact O-C 3.57Å; N358-S361 WeakPolarHBondContact O-CA 3.25Å; N358-S361 WeakPolarHBondContact O-CB 3.41Å; N358-S361 PolarHBondContact O-N 3.45Å; N358-I362 WeakPolarHBondContact O-CD1 3.47Å; N358-I362 VanDerWaalsContact O-CG1 3.23Å; N358-I362 WeakPolarHBondContact O-CG1 3.23Å; N358-I362 PolarHBondContact O-N 3.03Å
359	V	97.2	Very high	96.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-55.3	-45.3	172.4	168.7	0	0	0	0	111.2	I290 L321 Y323 A355 S361 I362 V363 R370	I290-V359 HydrophobicContact CB-CG2 3.98Å; I290-V359 HydrophobicContact CG2-CG2 3.83Å; L321-V359 HydrophobicContact CD2-CG1 4.24Å; Y323-V359 HydrophobicContact CD1-CG1 3.86Å; Y323-V359 HydrophobicContact CD1-CG2 4.11Å; Y323-V359 HydrophobicContact CD2-CG2 3.88Å; Y323-V359 HydrophobicContact CE1-CB 4.4Å; Y323-V359 HydrophobicContact CE1-CG1 3.61Å; Y323-V359 HydrophobicContact CE1-CG2 4.21Å; Y323-V359 HydrophobicContact CE2-CG2 3.94Å; Y323-V359 HydrophobicContact CG-CG2 3.94Å; A355-V359 WeakPolarHBondContact O-CB 3.4Å; A355-V359 WeakPolarHBondContact O-CG2 3.22Å; A355-V359 PolarHBondContact O-N 3.41Å; V359-S361 VanDerWaalsContact C-N 3.35Å; V359-S361 PolarHBondContact O-N 3.5Å; V359-I362 WeakPolarHBondContact O-CB 3.29Å; V359-I362 PolarHBondContact O-N 3.02Å; V359-V363 PolarHBondContact O-N 3.43Å; V359-R370 HydrophobicContact CG1-CB 3.82Å; V359-R370 HydrophobicContact CG1-CG 4.47Å
360	R	95.8	Very high	96.5	Very high	89 Å²	89	37.8 Å²	37.8	34%	0.336	19%	0.186	S	C	.	.	H	α-helix	trans	-58.5	-46.8	174.1	-175.4	-177	-66.6	156.6	0.9	111.9	F356 N358 I362 V363 Q364 N402	F356-R360 PolarHBondContact O-N 2.84Å; F356-R360 VanDerWaalsContact O-N 3.1Å; N358-R360 VanDerWaalsContact C-N 3.3Å; N358-R360 PolarHBondContact O-N 3.23Å; R360-I362 VanDerWaalsContact C-N 3.33Å; R360-I362 PolarHBondContact O-N 3.24Å; R360-V363 PolarHBondContact O-N 2.86Å; R360-Q364 WeakPolarHBondContact O-CB 3.24Å; R360-Q364 VanDerWaalsContact O-CG 3.26Å; R360-Q364 WeakPolarHBondContact O-CG 3.33Å; R360-Q364 PolarHBondContact O-N 3.39Å; R360-N402 PolarHBondContact NH2-OD1 3.41Å
361	S	96	Very high	96.6	Very high	38 Å²	38	33.6 Å²	33.6	27%	0.266	16%	0.164	S	C	.	.	H	α-helix	trans	-61.9	-40.4	177.7	-53.3	0	0	0	0	112	F294 K357 N358 V359 Q364 S365	F294-S361 WeakPolarHBondContact CZ-O 3.49Å; K357-S361 PolarHBondContact O-N 3.42Å; K357-S361 PolarHBondContact O-OG 3.27Å; N358-S361 CarbonylContact O-C 3.57Å; N358-S361 WeakPolarHBondContact O-CA 3.25Å; N358-S361 WeakPolarHBondContact O-CB 3.41Å; N358-S361 PolarHBondContact O-N 3.45Å; V359-S361 VanDerWaalsContact C-N 3.35Å; V359-S361 PolarHBondContact O-N 3.5Å; S361-Q364 PolarHBondContact O-N 2.96Å; S361-S365 PolarHBondContact O-N 3.2Å; S361-S365 VanDerWaalsContact O-N 3.12Å
362	I	95.7	Very high	96.8	Very high	1 Å²	1	32 Å²	32	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-58.2	-54.2	176	-67.9	155.8	0	0	0	109.5	F294 P299 T301 L321 N358 V359 R360 Q364 S365 T366	F294-I362 HydrophobicContact CE2-CG1 3.99Å; F294-I362 HydrophobicContact CZ-CG1 4.21Å; P299-I362 HydrophobicContact CB-CB 4.47Å; P299-I362 HydrophobicContact CB-CG1 4Å; P299-I362 HydrophobicContact CB-CG2 4.16Å; T301-I362 HydrophobicContact CG2-CD1 3.76Å; T301-I362 HydrophobicContact CG2-CG1 4.35Å; T301-I362 HydrophobicContact CG2-CG2 4.02Å; L321-I362 HydrophobicContact CD2-CB 4.29Å; L321-I362 HydrophobicContact CD2-CG2 3.72Å; N358-I362 WeakPolarHBondContact O-CD1 3.47Å; N358-I362 VanDerWaalsContact O-CG1 3.23Å; N358-I362 WeakPolarHBondContact O-CG1 3.23Å; N358-I362 PolarHBondContact O-N 3.03Å; V359-I362 WeakPolarHBondContact O-CB 3.29Å; V359-I362 PolarHBondContact O-N 3.02Å; R360-I362 VanDerWaalsContact C-N 3.33Å; R360-I362 PolarHBondContact O-N 3.24Å; I362-Q364 PolarHBondContact O-N 3.24Å; I362-S365 WeakPolarHBondContact O-CA 3.25Å; I362-S365 WeakPolarHBondContact O-CB 3.26Å; I362-S365 PolarHBondContact O-N 3.06Å; I362-T366 HydrophobicContact CG2-CG2 4.34Å; I362-T366 PolarHBondContact O-N 2.86Å; I362-T366 PolarHBondContact O-OG1 3.13Å
363	V	96	Very high	96.8	Very high	11 Å²	11	32 Å²	32	7%	0.067	16%	0.155	C	C	.	.	H	α-helix	trans	-65.7	-36.3	-178.3	172.4	0	0	0	0	112.5	L321 V359 R360 S365 T366 G367 G368 R370	L321-V363 HydrophobicContact CB-CG2 4Å; L321-V363 HydrophobicContact CD2-CG2 4.03Å; V359-V363 PolarHBondContact O-N 3.43Å; R360-V363 PolarHBondContact O-N 2.86Å; V363-S365 PolarHBondContact O-N 3.2Å; V363-T366 PolarHBondContact O-N 3.09Å; V363-G367 CarbonylContact O-C 3.49Å; V363-G367 VanDerWaalsContact O-CA 3.23Å; V363-G367 WeakPolarHBondContact O-CA 3.34Å; V363-G367 PolarHBondContact O-N 2.9Å; V363-G368 WeakPolarHBondContact CG1-O 3.13Å; V363-R370 HydrophobicContact CG2-CB 4.01Å
364	Q	94.6	Very high	96.9	Very high	147 Å²	147	29.7 Å²	29.7	69%	0.687	14%	0.143	S	C	*	.	H	α-helix	trans	-59.2	-32	171	-75.4	173.8	-19.1	0	0	112.5	R360 S361 I362	R360-Q364 WeakPolarHBondContact O-CB 3.24Å; R360-Q364 VanDerWaalsContact O-CG 3.26Å; R360-Q364 WeakPolarHBondContact O-CG 3.33Å; R360-Q364 PolarHBondContact O-N 3.39Å; S361-Q364 PolarHBondContact O-N 2.96Å; I362-Q364 PolarHBondContact O-N 3.24Å
365	S	94.7	Very high	96.8	Very high	54 Å²	54	25.6 Å²	25.6	38%	0.378	13%	0.127	S	C	.	.	H	α-helix	trans	-82.1	-42	177.6	-175.7	0	0	0	0	113.1	S361 I362 V363	S361-S365 PolarHBondContact O-N 3.2Å; S361-S365 VanDerWaalsContact O-N 3.12Å; I362-S365 WeakPolarHBondContact O-CA 3.25Å; I362-S365 WeakPolarHBondContact O-CB 3.26Å; I362-S365 PolarHBondContact O-N 3.06Å; V363-S365 PolarHBondContact O-N 3.2Å
366	T	95.3	Very high	96.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-86.5	-25.1	-174.2	56.4	0	0	0	0	113.1	P299 M303 R316 I362 V363	P299-T366 HydrophobicContact CG-CG2 4.27Å; M303-T366 VanDerWaalsContact O-CG2 3.25Å; M303-T366 WeakPolarHBondContact O-CG2 3.48Å; R316-T366 PolarHBondContact NE-O 3.35Å; R316-T366 VanDerWaalsContact NE-O 3.1Å; I362-T366 HydrophobicContact CG2-CG2 4.34Å; I362-T366 PolarHBondContact O-N 2.86Å; I362-T366 PolarHBondContact O-OG1 3.13Å; V363-T366 PolarHBondContact O-N 3.09Å
367	G	96.3	Very high	96.1	Very high	9 Å²	9	30.6 Å²	30.6	9%	0.093	15%	0.154	C	C	.	.			trans	75.5	177.8	-157	0	0	0	0	0	111.7	V306 V363	V306-G367 WeakPolarHBondContact CG1-O 3.5Å; V363-G367 CarbonylContact O-C 3.49Å; V363-G367 VanDerWaalsContact O-CA 3.23Å; V363-G367 WeakPolarHBondContact O-CA 3.34Å; V363-G367 PolarHBondContact O-N 2.9Å
368	G	98	Very high	95.8	Very high	2 Å²	2	23.8 Å²	23.8	2%	0.021	13%	0.125	C	C	.	.	S	Bend	trans	98.6	-176.2	-177.6	0	0	0	0	0	113.9	G54 R316 S319 V363	G54-G368 VanDerWaalsContact CA-O 3.22Å; G54-G368 WeakPolarHBondContact CA-O 3.39Å; R316-G368 VanDerWaalsContact O-CA 3.3Å; R316-G368 WeakPolarHBondContact O-CA 3.46Å; S319-G368 CarbonylContact O-C 3.57Å; S319-G368 VanDerWaalsContact O-CA 3.23Å; S319-G368 WeakPolarHBondContact O-CA 3.34Å; V363-G368 WeakPolarHBondContact CG1-O 3.13Å
369	G	98.3	Very high	95.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-179.4	171.8	0	0	0	0	0	111.6	G54 S319 V320 L321	G54-G369 WeakPolarHBondContact O-CA 3.1Å; S319-G369 PolarHBondContact O-N 3.39Å; V320-G369 WeakPolarHBondContact CA-O 3.41Å; L321-G369 PolarHBondContact N-O 3.29Å
370	R	98.2	Very high	95.1	Very high	23 Å²	23	25.3 Å²	25.3	9%	0.087	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	148.8	173.7	46.9	-177.6	-178.6	136.5	6.9	110.2	F56 L321 Y323 V359 V363 N402 E404	F56-R370 WeakPolarHBondContact CE2-O 3.3Å; L321-R370 WeakPolarHBondContact O-CA 3.41Å; Y323-R370 HydrophobicContact CE1-CB 4.44Å; V359-R370 HydrophobicContact CG1-CB 3.82Å; V359-R370 HydrophobicContact CG1-CG 4.47Å; V363-R370 HydrophobicContact CG2-CB 4.01Å; R370-N402 PolarHBondContact NH2-O 3.37Å; R370-E404 WeakPolarHBondContact CB-OE1 3.47Å; R370-E404 WeakPolarHBondContact CD-OE2 3.37Å; R370-E404 VanDerWaalsContact CG-OE1 3.3Å; R370-E404 WeakPolarHBondContact CG-OE1 3.4Å; R370-E404 IonicContact CZ-OE2 3.62Å; R370-E404 IonicContact NE-OE2 2.65Å; R370-E404 PolarHBondContact NE-OE2 2.99Å; R370-E404 IonicContact NH1-OE2 2.99Å; R370-E404 PolarHBondContact NH1-OE2 3.41Å; R370-E404 IonicContact NH2-OE2 3.23Å
371	F	98.9	Very high	94.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	125.7	178.3	-160.4	-64.9	0	0	0	109.8	F56 F66 V99 I139 L232 F282 V320 L321 Y323 T373 E404 S405 W406 T407	F56-F371 HydrophobicContact CE1-CD2 4.46Å; F56-F371 HydrophobicContact CE2-CD2 4.03Å; F56-F371 HydrophobicContact CZ-CB 4.32Å; F56-F371 AromaticContact CZ-CD2 3.66Å; F56-F371 HydrophobicContact CZ-CD2 3.66Å; F56-F371 HydrophobicContact CZ-CG 4.48Å; F66-F371 HydrophobicContact CB-CE2 3.79Å; F66-F371 HydrophobicContact CB-CZ 4.1Å; F66-F371 HydrophobicContact CD2-CE2 4.27Å; F66-F371 HydrophobicContact CG-CE2 4.33Å; V99-F371 HydrophobicContact CG1-CZ 3.96Å; I139-F371 HydrophobicContact CD1-CD2 4.41Å; I139-F371 HydrophobicContact CD1-CE1 4.2Å; I139-F371 HydrophobicContact CD1-CE2 3.97Å; I139-F371 HydrophobicContact CD1-CZ 3.89Å; L232-F371 HydrophobicContact CD2-CE2 4.39Å; F282-F371 HydrophobicContact CD1-CB 4.31Å; F282-F371 HydrophobicContact CE1-CB 3.67Å; F282-F371 HydrophobicContact CE1-CD1 4.44Å; F282-F371 AromaticContact CE1-CD2 3.69Å; F282-F371 HydrophobicContact CE1-CD2 3.69Å; F282-F371 HydrophobicContact CE1-CE2 4.44Å; F282-F371 AromaticContact CE1-CG 3.7Å; F282-F371 HydrophobicContact CE1-CG 3.7Å; F282-F371 HydrophobicContact CZ-CD2 4.04Å; V320-F371 HydrophobicContact CG1-CB 3.68Å; L321-F371 PolarHBondContact O-N 2.95Å; Y323-F371 WeakPolarHBondContact CD1-O 3.24Å; Y323-F371 VanDerWaalsContact CE1-C 3.47Å; Y323-F371 WeakPolarHBondContact CE1-O 3.37Å; Y323-F371 PolarHBondContact N-O 3.48Å; F371-T373 VanDerWaalsContact C-N 3.32Å; F371-T373 HydrophobicContact CB-CG2 4.27Å; F371-T373 HydrophobicContact CD1-CG2 3.57Å; F371-T373 HydrophobicContact CE1-CG2 4.25Å; F371-T373 HydrophobicContact CG-CG2 4.19Å; F371-T373 PolarHBondContact O-N 3.31Å; F371-E404 WeakPolarHBondContact CA-OE1 3.14Å; F371-E404 PolarHBondContact N-OE1 3.29Å; F371-S405 VanDerWaalsContact CD2-CB 3.48Å; F371-W406 VanDerWaalsContact CE1-C 3.49Å; F371-T407 HydrophobicContact CE1-CG2 3.96Å; F371-T407 HydrophobicContact CZ-CG2 4.14Å
372	L	98.8	Very high	94.3	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	82.7	171.6	177	63.1	0	0	0	109.5	Y323 F356 E374 F375 V395 E404 S405 W406 T407	Y323-L372 HydrophobicContact CD2-CD1 3.94Å; Y323-L372 HydrophobicContact CE1-CB 4.15Å; Y323-L372 HydrophobicContact CE2-CB 4.22Å; Y323-L372 HydrophobicContact CE2-CD1 3.53Å; Y323-L372 HydrophobicContact CE2-CG 4.44Å; Y323-L372 CarbonylContact O-C 3.49Å; Y323-L372 WeakPolarHBondContact O-CA 3.49Å; F356-L372 HydrophobicContact CZ-CD2 3.99Å; L372-E374 VanDerWaalsContact C-N 3.27Å; L372-E374 VanDerWaalsContact CD1-O 3.26Å; L372-E374 WeakPolarHBondContact CD1-O 3.21Å; L372-E374 PolarHBondContact O-N 2.84Å; L372-F375 HydrophobicContact CD1-CB 4.42Å; L372-F375 HydrophobicContact CD2-CB 4.19Å; L372-F375 HydrophobicContact CD2-CD1 3.8Å; L372-F375 HydrophobicContact CD2-CG 4.18Å; L372-F375 HydrophobicContact CG-CB 4.45Å; L372-F375 HydrophobicContact CG-CD1 4.16Å; L372-V395 HydrophobicContact CD2-CG1 3.87Å; L372-E404 HydrophobicContact CB-CG 4.12Å; L372-S405 PolarHBondContact N-O 3.1Å; L372-W406 HydrophobicContact CB-CB 4.03Å; L372-W406 HydrophobicContact CD2-CB 4.12Å; L372-W406 HydrophobicContact CG-CB 4.27Å; L372-W406 CarbonylContact O-C 3.59Å; L372-W406 WeakPolarHBondContact O-CA 2.89Å; L372-T407 PolarHBondContact O-N 3.28Å
373	T	98.5	Very high	94.2	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	-21.3	-171.5	37.4	0	0	0	0	112.9	N70 F282 S322 Y323 H324 F371 T407	N70-T373 PolarHBondContact ND2-O 2.96Å; F282-T373 HydrophobicContact CD1-CG2 4.04Å; F282-T373 HydrophobicContact CE1-CG2 4.34Å; S322-T373 WeakPolarHBondContact OG-CB 3.49Å; S322-T373 WeakPolarHBondContact OG-CG2 3.26Å; S322-T373 PolarHBondContact OG-OG1 2.81Å; Y323-T373 PolarHBondContact N-OG1 3.01Å; Y323-T373 PolarHBondContact O-N 2.97Å; Y323-T373 PolarHBondContact O-OG1 2.64Å; H324-T373 PolarHBondContact CD2-OG1 2.7Å; H324-T373 PolarHBondContact NE2-OG1 3.2Å; F371-T373 VanDerWaalsContact C-N 3.32Å; F371-T373 HydrophobicContact CB-CG2 4.27Å; F371-T373 HydrophobicContact CD1-CG2 3.57Å; F371-T373 HydrophobicContact CE1-CG2 4.25Å; F371-T373 HydrophobicContact CG-CG2 4.19Å; F371-T373 PolarHBondContact O-N 3.31Å; T373-T407 CarbonylContact C-O 3.13Å; T373-T407 VanDerWaalsContact CA-OG1 3.27Å; T373-T407 WeakPolarHBondContact CA-OG1 3.1Å; T373-T407 PolarHBondContact O-OG1 3Å
374	E	97.5	Very high	94	Very high	5 Å²	5	30.4 Å²	30.4	2%	0.023	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	138.4	168.1	-60.4	-176.7	-170.2	0	0	113	R101 H143 N238 H324 Y325 Y326 L372 T407 W409	R101-E374 IonicContact CZ-OE1 3.13Å; R101-E374 IonicContact NH1-OE1 3.87Å; R101-E374 PolarHBondContact NH1-OE1 2.86Å; H143-E374 IonicContact CE1-OE1 3.77Å; H143-E374 PolarHBondContact CE1-OE1 2.97Å; N238-E374 PolarHBondContact OD1-OE1 2.94Å; H324-E374 CarbonylContact C-O 3.33Å; H324-E374 WeakPolarHBondContact CA-O 3.31Å; H324-E374 HydrophobicContact CB-CB 4.05Å; H324-E374 VanDerWaalsContact CD2-CB 3.47Å; H324-E374 WeakPolarHBondContact CD2-CB 3.48Å; H324-E374 PolarHBondContact CD2-N 3.36Å; H324-E374 IonicContact CE1-OE1 2.78Å; H324-E374 PolarHBondContact CE1-OE1 2.79Å; H324-E374 IonicContact CE1-OE2 2.87Å; H324-E374 IonicContact ND1-OE2 3.77Å; H324-E374 WeakPolarHBondContact NE2-CG 3.42Å; H324-E374 IonicContact NE2-OE1 3.27Å; Y325-E374 PolarHBondContact N-O 2.93Å; Y326-E374 HydrophobicContact CE2-CB 4.25Å; Y326-E374 PolarHBondContact OH-OE2 2.88Å; L372-E374 VanDerWaalsContact C-N 3.27Å; L372-E374 VanDerWaalsContact CD1-O 3.26Å; L372-E374 WeakPolarHBondContact CD1-O 3.21Å; L372-E374 PolarHBondContact O-N 2.84Å; E374-T407 WeakPolarHBondContact CA-O 3.36Å; E374-W409 HydrophobicContact CB-CB 4.31Å; E374-W409 VanDerWaalsContact CD-CE3 3.42Å; E374-W409 HydrophobicContact CG-CB 4.47Å; E374-W409 HydrophobicContact CG-CE3 4.01Å; E374-W409 WeakPolarHBondContact OE1-CZ3 3.21Å
375	F	96	Very high	94	Very high	1 Å²	1	27.6 Å²	27.6	0%	0.004	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	154.2	157	72.1	-77.3	0	0	0	107.3	Y325 L372 V395 L396 W406 Y408 W409 F428	Y325-F375 VanDerWaalsContact O-CA 3.29Å; Y325-F375 WeakPolarHBondContact O-CA 3.46Å; Y325-F375 WeakPolarHBondContact O-CB 3.46Å; L372-F375 HydrophobicContact CD1-CB 4.42Å; L372-F375 HydrophobicContact CD2-CB 4.19Å; L372-F375 HydrophobicContact CD2-CD1 3.8Å; L372-F375 HydrophobicContact CD2-CG 4.18Å; L372-F375 HydrophobicContact CG-CB 4.45Å; L372-F375 HydrophobicContact CG-CD1 4.16Å; F375-V395 HydrophobicContact CB-CG1 4.01Å; F375-V395 HydrophobicContact CD1-CG1 4.32Å; F375-V395 HydrophobicContact CD2-CB 4Å; F375-V395 HydrophobicContact CD2-CG1 3.57Å; F375-V395 HydrophobicContact CD2-CG2 4.44Å; F375-V395 HydrophobicContact CE2-CB 4.37Å; F375-V395 HydrophobicContact CE2-CG1 4.1Å; F375-V395 HydrophobicContact CG-CG1 3.69Å; F375-L396 HydrophobicContact CE2-CD2 4.37Å; F375-L396 HydrophobicContact CE2-CG 4.36Å; F375-L396 HydrophobicContact CZ-CD2 3.74Å; F375-L396 HydrophobicContact CZ-CG 4.22Å; F375-W406 HydrophobicContact CD1-CB 4.43Å; F375-W406 HydrophobicContact CE1-CB 4.04Å; F375-W406 HydrophobicContact CE1-CD2 4Å; F375-W406 AromaticContact CE1-CE3 3.64Å; F375-W406 HydrophobicContact CE1-CE3 3.64Å; F375-W406 HydrophobicContact CE1-CG 4.2Å; F375-W406 HydrophobicContact CE1-CZ3 4.42Å; F375-W406 HydrophobicContact CZ-CD2 4.42Å; F375-W406 HydrophobicContact CZ-CE3 4.04Å; F375-W406 HydrophobicContact CZ-CZ3 4.43Å; F375-Y408 HydrophobicContact CD2-CD2 4.19Å; F375-Y408 HydrophobicContact CE1-CD2 4.44Å; F375-Y408 AromaticContact CE2-CD2 3.73Å; F375-Y408 HydrophobicContact CE2-CD2 3.73Å; F375-Y408 AromaticContact CZ-CD2 3.86Å; F375-Y408 HydrophobicContact CZ-CD2 3.86Å; F375-Y408 HydrophobicContact CZ-CG 4.35Å; F375-Y408 WeakPolarHBondContact O-CD2 3.44Å; F375-W409 PolarHBondContact O-N 3.01Å; F375-F428 HydrophobicContact CE2-CE1 4.26Å; F375-F428 HydrophobicContact CZ-CE1 4.13Å
376	G	92.1	Very high	94.1	Very high	5 Å²	5	25 Å²	25	5%	0.052	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.2	-147.9	-176.9	0	0	0	0	0	112.3	Y326 C378	Y326-G376 VanDerWaalsContact CE1-N 3.29Å; G376-C378 PolarHBondContact O-N 3.09Å
377	L	86.2	Confident	94.1	Very high	100 Å²	100	25 Å²	25	52%	0.524	15%	0.15	S	C	.	.	S	Bend	trans	59.7	24.9	-168.4	-53.8	175.5	0	0	0	112.8	Y326 E331	Y326-L377 HydrophobicContact CD1-CB 4.5Å; Y326-L377 HydrophobicContact CD1-CD1 3.82Å; Y326-L377 HydrophobicContact CD1-CG 3.8Å; Y326-L377 HydrophobicContact CE1-CG 4.1Å; Y326-L377 HydrophobicContact CG-CD1 4.48Å; E331-L377 HydrophobicContact CG-CD1 3.78Å
378	C	90.1	Very high	93.9	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.02	15%	0.15	C	C	.	.			trans	-146.4	131.7	175.5	65	0	0	0	0	108.3	G376 N388 E391 C392 Y408	G376-C378 PolarHBondContact O-N 3.09Å; C378-N388 WeakPolarHBondContact CB-O 3.47Å; C378-E391 HydrophobicContact CB-CB 4.01Å; C378-E391 HydrophobicContact CB-CG 4.16Å; C378-C392 HydrophobicContact CB-CB 3.95Å; C378-C392 WeakPolarHBondContact CB-SG 3.28Å; C378-C392 PolarHBondContact O-SG 3.33Å; C378-C392 WeakPolarHBondContact SG-CA 3.29Å; C378-C392 WeakPolarHBondContact SG-CB 3.33Å; C378-C392 PolarHBondContact SG-N 3.1Å; C378-C392 VanDerWaalsContact SG-N 3.39Å; C378-C392 CovalentContact SG-SG 2.05Å; C378-C392 PolarHBondContact SG-SG 3.35Å; C378-Y408 VanDerWaalsContact O-CE2 3.25Å; C378-Y408 WeakPolarHBondContact O-CE2 3.43Å; C378-Y408 PolarHBondContact O-OH 3.36Å
379	L	90.1	Very high	93.7	Very high	40 Å²	40	26 Å²	26	21%	0.209	15%	0.153	C	C	.	.			trans	-137.1	107.1	171.8	179.9	67.1	0	0	0	108	D381 N388 E413 L414 F428	L379-D381 PolarHBondContact O-N 3.16Å; L379-D381 VanDerWaalsContact O-N 3.17Å; L379-N388 PolarHBondContact N-OD1 3.25Å; L379-N388 WeakPolarHBondContact O-CB 3.13Å; L379-N388 PolarHBondContact O-ND2 3.33Å; L379-N388 PolarHBondContact O-OD1 2.95Å; L379-E413 HydrophobicContact CD2-CB 4.22Å; L379-L414 HydrophobicContact CD1-CD2 4.13Å; L379-F428 HydrophobicContact CD1-CE2 4.11Å
380	P	90.2	Very high	93.6	Very high	4 Å²	4	26.8 Å²	26.8	3%	0.026	16%	0.158	C	C	.	.			trans	-53.7	125.1	-173.5	-26.3	34.2	0	0	0	111.5	T389 C392 S424 S427 F428	P380-T389 HydrophobicContact CB-CG2 4.42Å; P380-C392 HydrophobicContact CG-CB 3.83Å; P380-S424 VanDerWaalsContact O-CA 3.25Å; P380-S424 WeakPolarHBondContact O-CA 3.38Å; P380-S424 VanDerWaalsContact O-CB 3.24Å; P380-S424 WeakPolarHBondContact O-CB 3.36Å; P380-S424 PolarHBondContact O-OG 2.91Å; P380-S427 WeakPolarHBondContact CG-OG 3.41Å; P380-F428 HydrophobicContact CG-CE2 4.41Å
381	D	88.9	Confident	93.5	Very high	56 Å²	56	26 Å²	26	30%	0.299	16%	0.155	S	C	.	.			trans	-112.2	10	-167.6	55.8	13.5	0	0	0	112.6	L379 N383 S386 N388 T389	L379-D381 PolarHBondContact O-N 3.16Å; L379-D381 VanDerWaalsContact O-N 3.17Å; D381-N383 PolarHBondContact O-N 3.41Å; D381-N383 WeakPolarHBondContact OD1-CB 3.46Å; D381-N383 PolarHBondContact OD1-N 3.15Å; D381-N383 VanDerWaalsContact OD1-N 3.12Å; D381-S386 VanDerWaalsContact CG-OG 3.31Å; D381-S386 PolarHBondContact OD1-OG 3.33Å; D381-S386 PolarHBondContact OD2-OG 3.19Å; D381-N388 PolarHBondContact OD2-ND2 2.99Å; D381-T389 PolarHBondContact N-OG1 2.92Å; D381-T389 PolarHBondContact OD1-OG1 2.77Å
382	G	86.8	Confident	93.3	Very high	42 Å²	42	26 Å²	26	43%	0.433	16%	0.155	S	C	.	.	S	Bend	trans	83.8	-9	-177.5	0	0	0	0	0	114.6	P384	G382-P384 WeakPolarHBondContact O-CD 3.43Å
383	N	92.7	Very high	93.1	Very high	65 Å²	65	27 Å²	27	35%	0.348	16%	0.16	S	C	.	.			trans	-87.9	113.2	169.2	179.1	5.5	0	0	0	109.2	D381 D385 S386 T389	D381-N383 PolarHBondContact O-N 3.41Å; D381-N383 WeakPolarHBondContact OD1-CB 3.46Å; D381-N383 PolarHBondContact OD1-N 3.15Å; D381-N383 VanDerWaalsContact OD1-N 3.12Å; N383-D385 PolarHBondContact O-N 2.8Å; N383-D385 VanDerWaalsContact O-N 3.16Å; N383-D385 PolarHBondContact OD1-N 2.77Å; N383-D385 VanDerWaalsContact OD1-N 3.11Å; N383-S386 PolarHBondContact O-N 3.47Å; N383-S386 PolarHBondContact O-OG 2.75Å; N383-T389 WeakPolarHBondContact O-CB 3.3Å; N383-T389 PolarHBondContact O-OG1 2.95Å
384	P	92.7	Very high	93.1	Very high	82 Å²	82	27.5 Å²	27.5	53%	0.532	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-18.7	-177.5	28	-35.9	0	0	0	113.6	G382 V390	G382-P384 WeakPolarHBondContact O-CD 3.43Å; P384-V390 VanDerWaalsContact O-CG2 3.28Å; P384-V390 WeakPolarHBondContact O-CG2 3.42Å
385	D	94.6	Very high	93.1	Very high	88 Å²	88	27.4 Å²	27.4	47%	0.471	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-5.4	-177	-59.6	-45.7	0	0	0	113.4	H338 M339 N383	H338-D385 CarbonylContact C-O 3.55Å; H338-D385 WeakPolarHBondContact CA-O 3.43Å; M339-D385 PolarHBondContact N-O 3.17Å; N383-D385 PolarHBondContact O-N 2.8Å; N383-D385 VanDerWaalsContact O-N 3.16Å; N383-D385 PolarHBondContact OD1-N 2.77Å; N383-D385 VanDerWaalsContact OD1-N 3.11Å
386	S	95.4	Very high	93.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-69.7	150.7	178.5	66.3	0	0	0	0	111.5	E337 D381 N383 N388 T389 V390	E337-S386 CarbonylContact O-C 3.52Å; E337-S386 VanDerWaalsContact O-CA 3.31Å; E337-S386 WeakPolarHBondContact O-CA 3.34Å; D381-S386 VanDerWaalsContact CG-OG 3.31Å; D381-S386 PolarHBondContact OD1-OG 3.33Å; D381-S386 PolarHBondContact OD2-OG 3.19Å; N383-S386 PolarHBondContact O-N 3.47Å; N383-S386 PolarHBondContact O-OG 2.75Å; S386-N388 PolarHBondContact O-N 3.41Å; S386-N388 WeakPolarHBondContact OG-CB 3.41Å; S386-T389 PolarHBondContact O-N 3.4Å; S386-T389 PolarHBondContact OG-N 3.32Å; S386-T389 PolarHBondContact OG-OG1 3.24Å; S386-V390 WeakPolarHBondContact O-CB 3.34Å; S386-V390 VanDerWaalsContact O-CG2 3.26Å; S386-V390 WeakPolarHBondContact O-CG2 3.46Å; S386-V390 PolarHBondContact O-N 2.83Å
387	I	95	Very high	93.4	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-53.8	-43.1	172	-67.3	170.5	0	0	0	110.3	L330 T333 A335 E337 M339 T389 V390 E391	L330-I387 HydrophobicContact CB-CG2 4.23Å; L330-I387 HydrophobicContact CD1-CG2 3.97Å; L330-I387 HydrophobicContact CD2-CG2 4.18Å; L330-I387 HydrophobicContact CG-CG2 4.34Å; T333-I387 HydrophobicContact CG2-CD1 3.51Å; A335-I387 HydrophobicContact CB-CG2 4.42Å; A335-I387 WeakPolarHBondContact O-CB 3.39Å; A335-I387 PolarHBondContact O-N 2.99Å; E337-I387 WeakPolarHBondContact O-CG1 3.36Å; E337-I387 PolarHBondContact O-N 3.22Å; M339-I387 HydrophobicContact CB-CG1 3.88Å; M339-I387 HydrophobicContact CG-CG1 4.42Å; M339-I387 HydrophobicContact SD-CG1 3.78Å; I387-T389 PolarHBondContact O-N 3.22Å; I387-V390 PolarHBondContact O-N 3.14Å; I387-E391 WeakPolarHBondContact O-CB 3.31Å; I387-E391 PolarHBondContact O-N 3.23Å
388	N	93.2	Very high	94	Very high	18 Å²	18	24.8 Å²	24.8	10%	0.096	15%	0.15	C	C	.	.	H	α-helix	trans	-46.2	-56.9	173.3	-92.5	-27.1	0	0	0	113	A335 C378 L379 D381 S386 C392	A335-N388 WeakPolarHBondContact CB-OD1 3.46Å; A335-N388 WeakPolarHBondContact O-CB 3.48Å; A335-N388 PolarHBondContact O-N 3.38Å; A335-N388 PolarHBondContact O-ND2 2.96Å; C378-N388 WeakPolarHBondContact CB-O 3.47Å; L379-N388 PolarHBondContact N-OD1 3.25Å; L379-N388 WeakPolarHBondContact O-CB 3.13Å; L379-N388 PolarHBondContact O-ND2 3.33Å; L379-N388 PolarHBondContact O-OD1 2.95Å; D381-N388 PolarHBondContact OD2-ND2 2.99Å; S386-N388 PolarHBondContact O-N 3.41Å; S386-N388 WeakPolarHBondContact OG-CB 3.41Å; N388-C392 WeakPolarHBondContact O-CB 3.45Å
389	T	93.8	Very high	94.4	Very high	13 Å²	13	24.7 Å²	24.7	8%	0.08	15%	0.149	C	C	.	.	H	α-helix	trans	-77.8	-41.2	-175.4	-57.6	0	0	0	0	111.6	P380 D381 N383 S386 I387 N393	P380-T389 HydrophobicContact CB-CG2 4.42Å; D381-T389 PolarHBondContact N-OG1 2.92Å; D381-T389 PolarHBondContact OD1-OG1 2.77Å; N383-T389 WeakPolarHBondContact O-CB 3.3Å; N383-T389 PolarHBondContact O-OG1 2.95Å; S386-T389 PolarHBondContact O-N 3.4Å; S386-T389 PolarHBondContact OG-N 3.32Å; S386-T389 PolarHBondContact OG-OG1 3.24Å; I387-T389 PolarHBondContact O-N 3.22Å; T389-N393 WeakPolarHBondContact CG2-ND2 3.42Å; T389-N393 VanDerWaalsContact O-CB 3.28Å; T389-N393 WeakPolarHBondContact O-CB 3.37Å; T389-N393 VanDerWaalsContact O-CG 3.27Å; T389-N393 PolarHBondContact O-N 3.43Å; T389-N393 VanDerWaalsContact O-N 3.12Å; T389-N393 PolarHBondContact O-ND2 3.28Å
390	V	95.7	Very high	94.8	Very high	17 Å²	17	23 Å²	23	10%	0.103	14%	0.14	C	C	.	.	H	α-helix	trans	-64.9	-50.3	-177	174.8	0	0	0	0	111.4	M339 R344 P384 S386 I387 A394	M339-V390 HydrophobicContact CB-CB 4.17Å; M339-V390 HydrophobicContact CB-CG1 4.28Å; M339-V390 HydrophobicContact CB-CG2 4.18Å; M339-V390 HydrophobicContact CG-CB 4.33Å; M339-V390 HydrophobicContact CG-CG1 3.96Å; R344-V390 HydrophobicContact CG-CG1 4.12Å; P384-V390 VanDerWaalsContact O-CG2 3.28Å; P384-V390 WeakPolarHBondContact O-CG2 3.42Å; S386-V390 WeakPolarHBondContact O-CB 3.34Å; S386-V390 VanDerWaalsContact O-CG2 3.26Å; S386-V390 WeakPolarHBondContact O-CG2 3.46Å; S386-V390 PolarHBondContact O-N 2.83Å; I387-V390 PolarHBondContact O-N 3.14Å; V390-A394 VanDerWaalsContact O-CB 3.31Å; V390-A394 WeakPolarHBondContact O-CB 3.42Å; V390-A394 PolarHBondContact O-N 3.45Å
391	E	95.8	Very high	95.2	Very high	5 Å²	5	28.7 Å²	28.7	2%	0.023	16%	0.161	C	C	.	.	H	α-helix	trans	-65.2	-49.5	-176.7	178.4	65.6	-178.3	0	0	111.2	Y325 L330 C378 I387 N393 A394 V395	Y325-E391 WeakPolarHBondContact CE1-OE1 3.49Å; L330-E391 HydrophobicContact CD1-CB 3.89Å; L330-E391 VanDerWaalsContact CD1-CD 3.43Å; L330-E391 HydrophobicContact CD1-CG 3.63Å; L330-E391 WeakPolarHBondContact CD1-OE2 3.31Å; C378-E391 HydrophobicContact CB-CB 4.01Å; C378-E391 HydrophobicContact CB-CG 4.16Å; I387-E391 WeakPolarHBondContact O-CB 3.31Å; I387-E391 PolarHBondContact O-N 3.23Å; E391-N393 VanDerWaalsContact C-N 3.34Å; E391-N393 PolarHBondContact O-N 3.34Å; E391-A394 WeakPolarHBondContact O-CB 3.4Å; E391-A394 PolarHBondContact O-N 2.96Å; E391-A394 VanDerWaalsContact O-N 3.07Å; E391-V395 HydrophobicContact CG-CG2 4.49Å; E391-V395 WeakPolarHBondContact O-CG2 3.23Å; E391-V395 PolarHBondContact O-N 2.96Å
392	C	94.6	Very high	95.5	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-59.9	-44.6	-179.8	-94.2	0	0	0	0	111.9	C378 P380 N388 A394 V395 L396	C378-C392 HydrophobicContact CB-CB 3.95Å; C378-C392 WeakPolarHBondContact CB-SG 3.28Å; C378-C392 PolarHBondContact O-SG 3.33Å; C378-C392 WeakPolarHBondContact SG-CA 3.29Å; C378-C392 WeakPolarHBondContact SG-CB 3.33Å; C378-C392 PolarHBondContact SG-N 3.1Å; C378-C392 VanDerWaalsContact SG-N 3.39Å; C378-C392 CovalentContact SG-SG 2.05Å; C378-C392 PolarHBondContact SG-SG 3.35Å; P380-C392 HydrophobicContact CG-CB 3.83Å; N388-C392 WeakPolarHBondContact O-CB 3.45Å; C392-A394 VanDerWaalsContact C-N 3.33Å; C392-A394 PolarHBondContact O-N 3.15Å; C392-V395 PolarHBondContact O-N 2.92Å; C392-L396 WeakPolarHBondContact O-CB 3.19Å; C392-L396 WeakPolarHBondContact O-CD1 2.9Å; C392-L396 WeakPolarHBondContact O-CG 3.47Å; C392-L396 PolarHBondContact O-N 2.91Å
393	N	95.8	Very high	96	Very high	21 Å²	21	25.9 Å²	25.9	11%	0.112	14%	0.135	C	C	.	.	H	α-helix	trans	-66.2	-36.1	176.1	-73.1	-22.7	0	0	0	111.8	T389 E391 N397 S427	T389-N393 WeakPolarHBondContact CG2-ND2 3.42Å; T389-N393 VanDerWaalsContact O-CB 3.28Å; T389-N393 WeakPolarHBondContact O-CB 3.37Å; T389-N393 VanDerWaalsContact O-CG 3.27Å; T389-N393 PolarHBondContact O-N 3.43Å; T389-N393 VanDerWaalsContact O-N 3.12Å; T389-N393 PolarHBondContact O-ND2 3.28Å; E391-N393 VanDerWaalsContact C-N 3.34Å; E391-N393 PolarHBondContact O-N 3.34Å; N393-N397 WeakPolarHBondContact O-CB 3.5Å; N393-N397 PolarHBondContact O-N 3.03Å; N393-N397 PolarHBondContact O-ND2 2.94Å; N393-S427 WeakPolarHBondContact OD1-CB 3.42Å; N393-S427 PolarHBondContact OD1-OG 3.27Å
394	A	97.2	Very high	96.3	Very high	12 Å²	12	22.8 Å²	22.8	10%	0.099	12%	0.119	C	C	.	.	H	α-helix	trans	-62.4	-49	176.4	0	0	0	0	0	111.7	D348 L352 V390 E391 C392 N397 A398	D348-A394 HydrophobicContact CB-CB 4.39Å; L352-A394 HydrophobicContact CD2-CB 4.19Å; L352-A394 WeakPolarHBondContact CD2-O 3.4Å; V390-A394 VanDerWaalsContact O-CB 3.31Å; V390-A394 WeakPolarHBondContact O-CB 3.42Å; V390-A394 PolarHBondContact O-N 3.45Å; E391-A394 WeakPolarHBondContact O-CB 3.4Å; E391-A394 PolarHBondContact O-N 2.96Å; E391-A394 VanDerWaalsContact O-N 3.07Å; C392-A394 VanDerWaalsContact C-N 3.33Å; C392-A394 PolarHBondContact O-N 3.15Å; A394-N397 PolarHBondContact O-N 3.13Å; A394-A398 WeakPolarHBondContact O-CB 3.28Å; A394-A398 PolarHBondContact O-N 2.87Å
395	V	98	Very high	96.6	Very high	2 Å²	2	19 Å²	19	1%	0.012	10%	0.095	C	C	.	.	H	α-helix	trans	-62.8	-47.2	178.4	179.5	0	0	0	0	111.1	Y325 L352 L372 F375 E391 C392 N397 A398 A399	Y325-V395 HydrophobicContact CD1-CG2 3.85Å; Y325-V395 HydrophobicContact CE1-CG2 3.75Å; L352-V395 HydrophobicContact CD1-CG2 4.1Å; L372-V395 HydrophobicContact CD2-CG1 3.87Å; F375-V395 HydrophobicContact CB-CG1 4.01Å; F375-V395 HydrophobicContact CD1-CG1 4.32Å; F375-V395 HydrophobicContact CD2-CB 4Å; F375-V395 HydrophobicContact CD2-CG1 3.57Å; F375-V395 HydrophobicContact CD2-CG2 4.44Å; F375-V395 HydrophobicContact CE2-CB 4.37Å; F375-V395 HydrophobicContact CE2-CG1 4.1Å; F375-V395 HydrophobicContact CG-CG1 3.69Å; E391-V395 HydrophobicContact CG-CG2 4.49Å; E391-V395 WeakPolarHBondContact O-CG2 3.23Å; E391-V395 PolarHBondContact O-N 2.96Å; C392-V395 PolarHBondContact O-N 2.92Å; V395-N397 PolarHBondContact O-N 3.34Å; V395-A398 CarbonylContact O-C 3.57Å; V395-A398 WeakPolarHBondContact O-CB 3.29Å; V395-A398 PolarHBondContact O-N 3.02Å; V395-A398 VanDerWaalsContact O-N 3.14Å; V395-A399 PolarHBondContact O-N 2.78Å
396	L	97.7	Very high	96.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-64.3	-42.2	179.3	-69.8	169.2	0	0	0	112.3	F375 C392 A398 A399 D400 W406 S427 F428	F375-L396 HydrophobicContact CE2-CD2 4.37Å; F375-L396 HydrophobicContact CE2-CG 4.36Å; F375-L396 HydrophobicContact CZ-CD2 3.74Å; F375-L396 HydrophobicContact CZ-CG 4.22Å; C392-L396 WeakPolarHBondContact O-CB 3.19Å; C392-L396 WeakPolarHBondContact O-CD1 2.9Å; C392-L396 WeakPolarHBondContact O-CG 3.47Å; C392-L396 PolarHBondContact O-N 2.91Å; L396-A398 VanDerWaalsContact C-N 3.29Å; L396-A398 PolarHBondContact O-N 3.34Å; L396-A399 WeakPolarHBondContact O-CB 3.25Å; L396-A399 PolarHBondContact O-N 2.78Å; L396-D400 PolarHBondContact O-N 2.63Å; L396-W406 HydrophobicContact CD2-CD2 3.98Å; L396-W406 HydrophobicContact CD2-CE3 4.37Å; L396-W406 HydrophobicContact CD2-CH2 3.95Å; L396-W406 HydrophobicContact CD2-CZ2 3.51Å; L396-W406 HydrophobicContact CD2-CZ3 4.35Å; L396-S427 WeakPolarHBondContact CD1-O 3.44Å; L396-F428 HydrophobicContact CD1-CD1 3.96Å; L396-F428 HydrophobicContact CD1-CE1 4.25Å
397	N	98	Very high	96.9	Very high	52 Å²	52	14.9 Å²	14.9	28%	0.278	7%	0.072	S	C	.	.	H	α-helix	trans	-64.2	-35.6	174	-70.4	-23.9	0	0	0	111.4	N393 A394 V395 R401 R430	N393-N397 WeakPolarHBondContact O-CB 3.5Å; N393-N397 PolarHBondContact O-N 3.03Å; N393-N397 PolarHBondContact O-ND2 2.94Å; A394-N397 PolarHBondContact O-N 3.13Å; V395-N397 PolarHBondContact O-N 3.34Å; N397-R401 VanDerWaalsContact C-NH1 3.31Å; N397-R401 VanDerWaalsContact O-CG 3.31Å; N397-R401 WeakPolarHBondContact O-CG 3.34Å; N397-R401 PolarHBondContact O-N 2.9Å; N397-R401 PolarHBondContact O-NH1 2.76Å; N397-R401 VanDerWaalsContact O-NH1 3.16Å; N397-R430 PolarHBondContact OD1-NH2 2.93Å
398	A	98.2	Very high	96.9	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-68.4	-38.8	174.3	0	0	0	0	0	111.7	L352 F356 A394 V395 L396 R401 N402	L352-A398 HydrophobicContact CD1-CB 4.13Å; L352-A398 HydrophobicContact CD2-CB 3.63Å; L352-A398 HydrophobicContact CG-CB 3.8Å; F356-A398 HydrophobicContact CD2-CB 4.34Å; F356-A398 HydrophobicContact CE2-CB 4.11Å; F356-A398 HydrophobicContact CZ-CB 4.23Å; A394-A398 WeakPolarHBondContact O-CB 3.28Å; A394-A398 PolarHBondContact O-N 2.87Å; V395-A398 CarbonylContact O-C 3.57Å; V395-A398 WeakPolarHBondContact O-CB 3.29Å; V395-A398 PolarHBondContact O-N 3.02Å; V395-A398 VanDerWaalsContact O-N 3.14Å; L396-A398 VanDerWaalsContact C-N 3.29Å; L396-A398 PolarHBondContact O-N 3.34Å; A398-R401 PolarHBondContact O-N 3.42Å; A398-N402 WeakPolarHBondContact O-CB 3.16Å; A398-N402 PolarHBondContact O-N 3.17Å; A398-N402 PolarHBondContact O-ND2 3.48Å
399	A	98.5	Very high	96.9	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.008	8%	0.076	C	C	.	.	H	α-helix	trans	-60.3	-47.8	173.9	0	0	0	0	0	111.4	F356 V395 L396 R401 N402 F403 E404	F356-A399 HydrophobicContact CE1-CB 4.35Å; F356-A399 HydrophobicContact CZ-CB 4.3Å; V395-A399 PolarHBondContact O-N 2.78Å; L396-A399 WeakPolarHBondContact O-CB 3.25Å; L396-A399 PolarHBondContact O-N 2.78Å; A399-R401 PolarHBondContact O-N 2.61Å; A399-N402 CarbonylContact O-C 3.51Å; A399-N402 PolarHBondContact O-N 3.17Å; A399-N402 VanDerWaalsContact O-N 3.14Å; A399-F403 PolarHBondContact O-N 3.43Å; A399-E404 HydrophobicContact CB-CB 4.21Å; A399-E404 PolarHBondContact O-N 3.01Å
400	D	98.3	Very high	95.9	Very high	3 Å²	3	17.5 Å²	17.5	2%	0.016	8%	0.082	C	C	.	.	H	α-helix	trans	-56.1	-53.6	175	-73.5	-17.1	0	0	0	111.5	L396 N402 F403 R430 L443	L396-D400 PolarHBondContact O-N 2.63Å; D400-N402 PolarHBondContact O-N 2.75Å; D400-N402 VanDerWaalsContact O-N 3.09Å; D400-F403 PolarHBondContact O-N 3.24Å; D400-R430 IonicContact OD1-NE 2.65Å; D400-R430 IonicContact OD2-CZ 2.68Å; D400-R430 IonicContact OD2-NE 4Å; D400-R430 PolarHBondContact OD2-NE 3.32Å; D400-R430 IonicContact OD2-NH2 3.57Å; D400-R430 PolarHBondContact OD2-NH2 2.79Å; D400-L443 HydrophobicContact CB-CD2 4.2Å; D400-L443 HydrophobicContact CB-CG 4.03Å
401	R	97.5	Very high	94.4	Very high	125 Å²	125	16.7 Å²	16.7	47%	0.472	8%	0.077	S	C	.	.	H	α-helix	trans	-57.9	-27.4	178.9	-74.8	-168.5	-52.5	-84.3	5	113.5	N397 A398 A399	N397-R401 VanDerWaalsContact C-NH1 3.31Å; N397-R401 VanDerWaalsContact O-CG 3.31Å; N397-R401 WeakPolarHBondContact O-CG 3.34Å; N397-R401 PolarHBondContact O-N 2.9Å; N397-R401 PolarHBondContact O-NH1 2.76Å; N397-R401 VanDerWaalsContact O-NH1 3.16Å; A398-R401 PolarHBondContact O-N 3.42Å; A399-R401 PolarHBondContact O-N 2.61Å
402	N	97.2	Very high	92.9	Very high	20 Å²	20	19.7 Å²	19.7	11%	0.107	9%	0.089	C	C	.	.	H	α-helix	trans	-101.6	1.1	-178.1	-72.1	-77.3	0	0	0	113.6	F356 R360 R370 A398 A399 D400 E404	F356-N402 HydrophobicContact CD1-CB 3.57Å; F356-N402 WeakPolarHBondContact CD1-ND2 3.5Å; F356-N402 HydrophobicContact CE1-CB 4.1Å; R360-N402 PolarHBondContact NH2-OD1 3.41Å; R370-N402 PolarHBondContact NH2-O 3.37Å; A398-N402 WeakPolarHBondContact O-CB 3.16Å; A398-N402 PolarHBondContact O-N 3.17Å; A398-N402 PolarHBondContact O-ND2 3.48Å; A399-N402 CarbonylContact O-C 3.51Å; A399-N402 PolarHBondContact O-N 3.17Å; A399-N402 VanDerWaalsContact O-N 3.14Å; D400-N402 PolarHBondContact O-N 2.75Å; D400-N402 VanDerWaalsContact O-N 3.09Å; N402-E404 HydrophobicContact CB-CB 4.39Å; N402-E404 PolarHBondContact O-N 3.02Å
403	F	97.1	Very high	91.2	Very high	18 Å²	18	24.3 Å²	24.3	8%	0.079	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	48	-171.7	-156	-96.3	0	0	0	111.5	Y55 I63 L65 A399 D400 P433 P440 L443 Y454	Y55-F403 AromaticContact CD1-CD1 3.9Å; Y55-F403 HydrophobicContact CD1-CD1 3.9Å; Y55-F403 HydrophobicContact CD1-CE1 4.4Å; Y55-F403 HydrophobicContact CE1-CB 4.27Å; Y55-F403 AromaticContact CE1-CD1 3.64Å; Y55-F403 HydrophobicContact CE1-CD1 3.64Å; Y55-F403 HydrophobicContact CE1-CE1 4.47Å; Y55-F403 HydrophobicContact CE1-CG 4.32Å; I63-F403 HydrophobicContact CG2-CE1 3.49Å; I63-F403 VanDerWaalsContact CG2-CE1 3.49Å; I63-F403 HydrophobicContact CG2-CZ 3.98Å; L65-F403 HydrophobicContact CB-CE1 4.08Å; L65-F403 HydrophobicContact CB-CE2 4.46Å; L65-F403 HydrophobicContact CB-CZ 3.87Å; L65-F403 HydrophobicContact CD1-CD1 4.12Å; L65-F403 HydrophobicContact CD1-CE1 4.14Å; L65-F403 HydrophobicContact CD1-CG 4.39Å; L65-F403 HydrophobicContact CD1-CZ 4.46Å; L65-F403 HydrophobicContact CD2-CD2 4.11Å; L65-F403 HydrophobicContact CD2-CE2 3.86Å; L65-F403 HydrophobicContact CD2-CZ 4.11Å; L65-F403 HydrophobicContact CG-CZ 4.38Å; A399-F403 PolarHBondContact O-N 3.43Å; D400-F403 PolarHBondContact O-N 3.24Å; F403-P433 HydrophobicContact CE2-CG 3.93Å; F403-P433 HydrophobicContact CZ-CG 4.5Å; F403-P440 HydrophobicContact CD1-CB 4.27Å; F403-P440 HydrophobicContact CD1-CG 3.79Å; F403-P440 HydrophobicContact CD2-CB 3.67Å; F403-P440 HydrophobicContact CD2-CG 3.91Å; F403-P440 HydrophobicContact CE1-CB 4.37Å; F403-P440 HydrophobicContact CE1-CG 3.54Å; F403-P440 HydrophobicContact CE2-CB 3.75Å; F403-P440 HydrophobicContact CE2-CG 3.64Å; F403-P440 HydrophobicContact CG-CB 3.93Å; F403-P440 HydrophobicContact CG-CG 3.97Å; F403-P440 HydrophobicContact CZ-CB 4.11Å; F403-P440 HydrophobicContact CZ-CG 3.44Å; F403-P440 VanDerWaalsContact CZ-CG 3.44Å; F403-L443 HydrophobicContact CD2-CB 4.47Å; F403-L443 HydrophobicContact CD2-CD2 4.02Å; F403-L443 HydrophobicContact CE2-CD2 4.33Å; F403-Y454 AromaticContact CE2-CE2 3.97Å; F403-Y454 HydrophobicContact CE2-CE2 3.97Å
404	E	98.2	Very high	89.5	Confident	1 Å²	1	23.7 Å²	23.7	1%	0.005	11%	0.107	C	C	.	.			trans	-99.2	129.8	-174.2	-168.4	71.8	-134.1	0	0	110.4	Y323 F356 R370 F371 L372 A399 N402	Y323-E404 VanDerWaalsContact OH-CD 3.24Å; Y323-E404 WeakPolarHBondContact OH-CG 3.37Å; F356-E404 HydrophobicContact CD1-CB 4.33Å; F356-E404 HydrophobicContact CD1-CG 4.4Å; F356-E404 HydrophobicContact CE1-CB 3.64Å; F356-E404 HydrophobicContact CE1-CG 3.7Å; F356-E404 HydrophobicContact CZ-CG 4.49Å; R370-E404 WeakPolarHBondContact CB-OE1 3.47Å; R370-E404 WeakPolarHBondContact CD-OE2 3.37Å; R370-E404 VanDerWaalsContact CG-OE1 3.3Å; R370-E404 WeakPolarHBondContact CG-OE1 3.4Å; R370-E404 IonicContact CZ-OE2 3.62Å; R370-E404 IonicContact NE-OE2 2.65Å; R370-E404 PolarHBondContact NE-OE2 2.99Å; R370-E404 IonicContact NH1-OE2 2.99Å; R370-E404 PolarHBondContact NH1-OE2 3.41Å; R370-E404 IonicContact NH2-OE2 3.23Å; F371-E404 WeakPolarHBondContact CA-OE1 3.14Å; F371-E404 PolarHBondContact N-OE1 3.29Å; L372-E404 HydrophobicContact CB-CG 4.12Å; A399-E404 HydrophobicContact CB-CB 4.21Å; A399-E404 PolarHBondContact O-N 3.01Å; N402-E404 HydrophobicContact CB-CB 4.39Å; N402-E404 PolarHBondContact O-N 3.02Å
405	S	98.8	Very high	87.8	Confident	3 Å²	3	23.7 Å²	23.7	2%	0.021	11%	0.105	C	C	.	.			trans	-75.7	145.9	170.7	-64.4	0	0	0	0	110.4	F66 F371 L372	F66-S405 PolarHBondContact N-OG 3.06Å; F66-S405 CarbonylContact O-C 3.6Å; F66-S405 WeakPolarHBondContact O-CA 3.42Å; F66-S405 VanDerWaalsContact O-CB 3.26Å; F66-S405 WeakPolarHBondContact O-CB 3.15Å; F371-S405 VanDerWaalsContact CD2-CB 3.48Å; L372-S405 PolarHBondContact N-O 3.1Å
406	W	98.5	Very high	85.8	Confident	1 Å²	1	27.6 Å²	27.6	0%	0.004	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	152.9	-174.6	56.2	-96.1	0	0	0	114.5	F66 H67 G68 F371 L372 F375 L396 F428	F66-W406 PolarHBondContact O-N 3.42Å; H67-W406 CarbonylContact C-O 3.52Å; H67-W406 HydrophobicContact CB-CD2 4.38Å; H67-W406 HydrophobicContact CB-CH2 3.89Å; H67-W406 HydrophobicContact CB-CZ2 3.51Å; H67-W406 HydrophobicContact CB-CZ3 4.45Å; H67-W406 AromaticContact CD2-CD1 3.59Å; H67-W406 AromaticContact CD2-CE2 3.52Å; H67-W406 AromaticContact CD2-CZ2 3.97Å; H67-W406 AromaticContact CD2-NE1 3Å; H67-W406 PolarHBondContact CD2-NE1 3Å; H67-W406 AromaticContact CE1-NE1 3.58Å; H67-W406 AromaticContact CG-CE2 3.45Å; H67-W406 VanDerWaalsContact CG-CE2 3.45Å; H67-W406 AromaticContact CG-CZ2 3.41Å; H67-W406 VanDerWaalsContact CG-CZ2 3.41Å; H67-W406 AromaticContact CG-NE1 3.43Å; H67-W406 AromaticContact ND1-CE2 3.84Å; H67-W406 AromaticContact ND1-CZ2 3.53Å; H67-W406 AromaticContact ND1-NE1 3.75Å; H67-W406 AromaticContact NE2-CD1 3.84Å; H67-W406 AromaticContact NE2-CE2 3.96Å; H67-W406 AromaticContact NE2-NE1 3.13Å; H67-W406 PolarHBondContact NE2-NE1 3.49Å; H67-W406 VanDerWaalsContact NE2-NE1 3.13Å; G68-W406 PolarHBondContact N-O 2.97Å; G68-W406 WeakPolarHBondContact O-CZ3 3.38Å; F371-W406 VanDerWaalsContact CE1-C 3.49Å; L372-W406 HydrophobicContact CB-CB 4.03Å; L372-W406 HydrophobicContact CD2-CB 4.12Å; L372-W406 HydrophobicContact CG-CB 4.27Å; L372-W406 CarbonylContact O-C 3.59Å; L372-W406 WeakPolarHBondContact O-CA 2.89Å; F375-W406 HydrophobicContact CD1-CB 4.43Å; F375-W406 HydrophobicContact CE1-CB 4.04Å; F375-W406 HydrophobicContact CE1-CD2 4Å; F375-W406 AromaticContact CE1-CE3 3.64Å; F375-W406 HydrophobicContact CE1-CE3 3.64Å; F375-W406 HydrophobicContact CE1-CG 4.2Å; F375-W406 HydrophobicContact CE1-CZ3 4.42Å; F375-W406 HydrophobicContact CZ-CD2 4.42Å; F375-W406 HydrophobicContact CZ-CE3 4.04Å; F375-W406 HydrophobicContact CZ-CZ3 4.43Å; L396-W406 HydrophobicContact CD2-CD2 3.98Å; L396-W406 HydrophobicContact CD2-CE3 4.37Å; L396-W406 HydrophobicContact CD2-CH2 3.95Å; L396-W406 HydrophobicContact CD2-CZ2 3.51Å; L396-W406 HydrophobicContact CD2-CZ3 4.35Å; W406-F428 HydrophobicContact CH2-CB 4.47Å; W406-F428 HydrophobicContact CH2-CD1 4.32Å; W406-F428 HydrophobicContact CZ3-CD1 4.38Å
407	T	97.7	Very high	83.7	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	124.5	166.2	37.4	0	0	0	0	110.4	G68 N70 V99 R101 F371 L372 T373 E374	G68-T407 WeakPolarHBondContact O-CA 3.34Å; N70-T407 PolarHBondContact ND2-O 2.9Å; V99-T407 HydrophobicContact CG1-CG2 3.89Å; R101-T407 HydrophobicContact CB-CG2 4.14Å; F371-T407 HydrophobicContact CE1-CG2 3.96Å; F371-T407 HydrophobicContact CZ-CG2 4.14Å; L372-T407 PolarHBondContact O-N 3.28Å; T373-T407 CarbonylContact C-O 3.13Å; T373-T407 VanDerWaalsContact CA-OG1 3.27Å; T373-T407 WeakPolarHBondContact CA-OG1 3.1Å; T373-T407 PolarHBondContact O-OG1 3Å; E374-T407 WeakPolarHBondContact CA-O 3.36Å
408	Y	95.6	Very high	81.6	Confident	2 Å²	2	31.8 Å²	31.8	1%	0.008	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	140.9	180	170.8	-100.8	0	0	0	112.1	G68 N70 F375 C378 L414 F428	G68-Y408 PolarHBondContact O-N 3.03Å; N70-Y408 WeakPolarHBondContact CB-O 3.27Å; N70-Y408 PolarHBondContact N-O 2.78Å; N70-Y408 PolarHBondContact ND2-O 3.06Å; N70-Y408 VanDerWaalsContact ND2-O 3.15Å; F375-Y408 HydrophobicContact CD2-CD2 4.19Å; F375-Y408 HydrophobicContact CE1-CD2 4.44Å; F375-Y408 AromaticContact CE2-CD2 3.73Å; F375-Y408 HydrophobicContact CE2-CD2 3.73Å; F375-Y408 AromaticContact CZ-CD2 3.86Å; F375-Y408 HydrophobicContact CZ-CD2 3.86Å; F375-Y408 HydrophobicContact CZ-CG 4.35Å; F375-Y408 WeakPolarHBondContact O-CD2 3.44Å; C378-Y408 VanDerWaalsContact O-CE2 3.25Å; C378-Y408 WeakPolarHBondContact O-CE2 3.43Å; C378-Y408 PolarHBondContact O-OH 3.36Å; Y408-L414 HydrophobicContact CD1-CD1 3.81Å; Y408-L414 HydrophobicContact CE1-CD1 4.17Å; Y408-L414 HydrophobicContact CE1-CG 4.39Å; Y408-F428 HydrophobicContact CD1-CE1 4.3Å; Y408-F428 HydrophobicContact CD1-CZ 4.22Å; Y408-F428 AromaticContact CD2-CE1 3.48Å; Y408-F428 HydrophobicContact CD2-CE1 3.48Å; Y408-F428 VanDerWaalsContact CD2-CE1 3.48Å; Y408-F428 AromaticContact CD2-CZ 3.68Å; Y408-F428 HydrophobicContact CD2-CZ 3.68Å; Y408-F428 HydrophobicContact CE1-CZ 4.2Å; Y408-F428 AromaticContact CE2-CE1 3.92Å; Y408-F428 HydrophobicContact CE2-CE1 3.92Å; Y408-F428 AromaticContact CE2-CZ 3.62Å; Y408-F428 HydrophobicContact CE2-CZ 3.62Å; Y408-F428 HydrophobicContact CG-CD1 4.47Å; Y408-F428 AromaticContact CG-CE1 3.68Å; Y408-F428 HydrophobicContact CG-CE1 3.68Å; Y408-F428 AromaticContact CG-CZ 3.98Å; Y408-F428 HydrophobicContact CG-CZ 3.98Å; Y408-F428 AromaticContact CZ-CZ 3.91Å
409	W	93	Very high	79.8	Confident	44 Å²	44	35.5 Å²	35.5	17%	0.167	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	119.7	173.7	-174.2	-89	0	0	0	111	N70 V72 K74 H143 Y326 E374 F375	N70-W409 HydrophobicContact CB-CE3 3.58Å; N70-W409 HydrophobicContact CB-CZ3 3.9Å; V72-W409 HydrophobicContact CB-CH2 4.09Å; V72-W409 HydrophobicContact CB-CZ3 4.29Å; V72-W409 HydrophobicContact CG2-CH2 4.27Å; V72-W409 HydrophobicContact CG2-CZ3 3.98Å; K74-W409 VanDerWaalsContact NZ-CH2 3.31Å; H143-W409 AromaticContact CE1-CH2 3.34Å; H143-W409 WeakPolarHBondContact CE1-CH2 3.18Å; H143-W409 AromaticContact CE1-CZ3 3.25Å; H143-W409 WeakPolarHBondContact CE1-CZ3 3.5Å; H143-W409 AromaticContact NE2-CH2 3.29Å; H143-W409 VanDerWaalsContact NE2-CH2 3.29Å; H143-W409 WeakPolarHBondContact NE2-CH2 3.25Å; H143-W409 AromaticContact NE2-CZ3 3.74Å; Y326-W409 WeakPolarHBondContact OH-CB 3.22Å; Y326-W409 VanDerWaalsContact OH-CG 3.26Å; E374-W409 HydrophobicContact CB-CB 4.31Å; E374-W409 VanDerWaalsContact CD-CE3 3.42Å; E374-W409 HydrophobicContact CG-CB 4.47Å; E374-W409 HydrophobicContact CG-CE3 4.01Å; E374-W409 WeakPolarHBondContact OE1-CZ3 3.21Å; F375-W409 PolarHBondContact O-N 3.01Å
410	D	73.6	Confident	77.9	Confident	40 Å²	40	39 Å²	39	21%	0.214	20%	0.195	C	C	.	.			cis	-124.5	158.4	-5.5	85.9	20.5	0	0	0	112.9	Y412	D410-Y412 PolarHBondContact O-N 2.73Å; D410-Y412 WeakPolarHBondContact OD1-CB 3.41Å; D410-Y412 PolarHBondContact OD1-N 3.31Å
411	G	63.1	Low	76	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-66.6	-16.1	-176.2	0	0	0	0	0	114.9	N70 E413 L414 F415	N70-G411 WeakPolarHBondContact O-CA 3.29Å; N70-G411 PolarHBondContact O-N 3.31Å; G411-E413 PolarHBondContact O-N 3.03Å; G411-L414 WeakPolarHBondContact O-CB 3.42Å; G411-L414 PolarHBondContact O-N 3.06Å; G411-L414 VanDerWaalsContact O-N 3.15Å; G411-F415 VanDerWaalsContact C-CD2 3.47Å; G411-F415 WeakPolarHBondContact O-CD2 3.2Å; G411-F415 WeakPolarHBondContact O-CG 3.17Å; G411-F415 PolarHBondContact O-N 2.76Å
412	Y	64.4	Low	74.5	Confident	68 Å²	68	42 Å²	42	27%	0.267	22%	0.215	S	C	.	.	H	α-helix	trans	-64.7	-41.8	-174.9	-73.7	-84.1	0	0	0	112.3	V72 H73 I80 D410 L414 F415 S416	V72-Y412 WeakPolarHBondContact O-CE2 3.31Å; V72-Y412 PolarHBondContact O-OH 2.89Å; V72-Y412 VanDerWaalsContact O-OH 3.08Å; H73-Y412 WeakPolarHBondContact CA-OH 3.42Å; H73-Y412 WeakPolarHBondContact CB-OH 3.35Å; H73-Y412 PolarHBondContact N-OH 2.85Å; H73-Y412 AromaticContact ND1-CE1 3.6Å; H73-Y412 AromaticContact ND1-CZ 3.36Å; H73-Y412 PolarHBondContact ND1-OH 3.46Å; I80-Y412 HydrophobicContact CD1-CE1 3.94Å; I80-Y412 HydrophobicContact CD1-CE2 4.2Å; I80-Y412 HydrophobicContact CG1-CE1 3.77Å; I80-Y412 WeakPolarHBondContact CG1-OH 3.2Å; D410-Y412 PolarHBondContact O-N 2.73Å; D410-Y412 WeakPolarHBondContact OD1-CB 3.41Å; D410-Y412 PolarHBondContact OD1-N 3.31Å; Y412-L414 PolarHBondContact O-N 3.27Å; Y412-F415 PolarHBondContact O-N 2.62Å; Y412-S416 PolarHBondContact O-N 3.16Å
413	E	58.4	Low	73.2	Confident	98 Å²	98	45.7 Å²	45.7	46%	0.458	23%	0.234	S	C	.	.	H	α-helix	trans	-59.7	-38.4	177.3	-62.9	-171.8	162.4	0	0	110.3	L379 G411 S416	L379-E413 HydrophobicContact CD2-CB 4.22Å; G411-E413 PolarHBondContact O-N 3.03Å; E413-S416 PolarHBondContact O-OG 3.49Å
414	L	60.9	Low	72.2	Confident	7 Å²	7	45.3 Å²	45.3	4%	0.037	23%	0.234	C	C	.	.	H	α-helix	trans	-72.5	-40.9	176.3	-61.3	174.7	0	0	0	112.7	I69 W95 L379 Y408 G411 Y412 S416 N417 L418 F428	I69-L414 HydrophobicContact CG2-CD1 3.66Å; W95-L414 HydrophobicContact CZ3-CB 4.38Å; L379-L414 HydrophobicContact CD1-CD2 4.13Å; Y408-L414 HydrophobicContact CD1-CD1 3.81Å; Y408-L414 HydrophobicContact CE1-CD1 4.17Å; Y408-L414 HydrophobicContact CE1-CG 4.39Å; G411-L414 WeakPolarHBondContact O-CB 3.42Å; G411-L414 PolarHBondContact O-N 3.06Å; G411-L414 VanDerWaalsContact O-N 3.15Å; Y412-L414 PolarHBondContact O-N 3.27Å; L414-S416 VanDerWaalsContact C-N 3.34Å; L414-S416 PolarHBondContact O-N 3.29Å; L414-N417 CarbonylContact O-C 3.35Å; L414-N417 PolarHBondContact O-N 3.48Å; L414-L418 PolarHBondContact O-N 3.04Å; L414-F428 HydrophobicContact CD2-CD2 4.29Å; L414-F428 HydrophobicContact CD2-CE2 4.26Å
415	F	60.8	Low	71.6	Confident	13 Å²	13	45.4 Å²	45.4	6%	0.057	24%	0.235	C	C	.	.	H	α-helix	trans	-69.8	-29.4	-178.6	-74.4	-60.4	0	0	0	113.9	I69 C71 I80 K82 L83 T88 L92 G411 Y412 N417 L418	I69-F415 HydrophobicContact CD1-CE1 4.32Å; I69-F415 HydrophobicContact CD1-CE2 3.87Å; I69-F415 HydrophobicContact CD1-CZ 3.53Å; C71-F415 VanDerWaalsContact SG-CE2 3.52Å; I80-F415 HydrophobicContact CD1-CD2 4.04Å; I80-F415 HydrophobicContact CD1-CE2 3.81Å; K82-F415 HydrophobicContact CD-CD1 4.29Å; K82-F415 PolarHBondContact NZ-O 3Å; L83-F415 HydrophobicContact CD2-CE1 4.3Å; L83-F415 HydrophobicContact CD2-CZ 3.97Å; T88-F415 HydrophobicContact CG2-CD1 4.4Å; T88-F415 HydrophobicContact CG2-CE1 3.83Å; L92-F415 HydrophobicContact CD1-CE1 4.11Å; L92-F415 HydrophobicContact CD1-CZ 4.21Å; L92-F415 HydrophobicContact CD2-CE1 4.1Å; L92-F415 HydrophobicContact CD2-CZ 4.47Å; L92-F415 HydrophobicContact CG-CE1 4.42Å; G411-F415 VanDerWaalsContact C-CD2 3.47Å; G411-F415 WeakPolarHBondContact O-CD2 3.2Å; G411-F415 WeakPolarHBondContact O-CG 3.17Å; G411-F415 PolarHBondContact O-N 2.76Å; Y412-F415 PolarHBondContact O-N 2.62Å; F415-N417 PolarHBondContact O-N 3.34Å; F415-L418 HydrophobicContact CD1-CD1 4.32Å; F415-L418 HydrophobicContact CD1-CD2 4.02Å; F415-L418 HydrophobicContact CD1-CG 4.39Å
416	S	56.7	Low	71.1	Confident	84 Å²	84	48.7 Å²	48.7	59%	0.587	25%	0.248	S	C	*	.	H	α-helix	trans	-62.5	-29.5	176	72.8	0	0	0	0	111.9	Y412 E413 L414	Y412-S416 PolarHBondContact O-N 3.16Å; E413-S416 PolarHBondContact O-OG 3.49Å; L414-S416 VanDerWaalsContact C-N 3.34Å; L414-S416 PolarHBondContact O-N 3.29Å
417	N	53	Low	70.8	Confident	95 Å²	95	48.9 Å²	48.9	51%	0.508	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128	55.3	-176.7	-66.8	-41	0	0	0	111.7	L414 F415 N419 N422	L414-N417 CarbonylContact O-C 3.35Å; L414-N417 PolarHBondContact O-N 3.48Å; F415-N417 PolarHBondContact O-N 3.34Å; N417-N419 PolarHBondContact O-N 3.03Å; N417-N422 WeakPolarHBondContact CB-ND2 3.45Å; N417-N422 PolarHBondContact O-ND2 3.41Å
418	L	54.1	Low	70.5	Confident	44 Å²	44	49.4 Å²	49.4	23%	0.23	25%	0.252	C	S	.	.			trans	-69.1	53.4	169	-64.6	-169.3	0	0	0	111.9	K82 V91 W95 L414 F415	K82-L418 HydrophobicContact CD-CD1 4.23Å; K82-L418 VanDerWaalsContact NZ-CG 3.32Å; V91-L418 HydrophobicContact CG1-CB 4.48Å; V91-L418 HydrophobicContact CG1-CD1 4.24Å; V91-L418 HydrophobicContact CG1-CD2 4.31Å; W95-L418 HydrophobicContact CE3-CD2 4.37Å; W95-L418 HydrophobicContact CH2-CB 4.3Å; W95-L418 HydrophobicContact CH2-CD2 3.12Å; W95-L418 HydrophobicContact CH2-CG 4.24Å; W95-L418 HydrophobicContact CZ2-CB 4.26Å; W95-L418 HydrophobicContact CZ2-CD2 3.71Å; W95-L418 HydrophobicContact CZ3-CD2 3.47Å; W95-L418 VanDerWaalsContact CZ3-CD2 3.47Å; L414-L418 PolarHBondContact O-N 3.04Å; F415-L418 HydrophobicContact CD1-CD1 4.32Å; F415-L418 HydrophobicContact CD1-CD2 4.02Å; F415-L418 HydrophobicContact CD1-CG 4.39Å
419	N	59.8	Low	70.4	Confident	78 Å²	78	49.3 Å²	49.3	42%	0.417	25%	0.252	S	S	.	.			trans	-110.3	135.3	167.5	-172.7	-2.2	0	0	0	107.9	N417 E421 N422	N417-N419 PolarHBondContact O-N 3.03Å; N419-E421 PolarHBondContact ND2-OE2 2.96Å; N419-E421 PolarHBondContact O-N 3.35Å; N419-E421 PolarHBondContact OD1-N 3.36Å; N419-N422 WeakPolarHBondContact O-CB 3.42Å; N419-N422 PolarHBondContact O-N 3.4Å
420	V	58.4	Low	70.5	Confident	74 Å²	74	47.2 Å²	47.2	45%	0.448	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-22.8	175.9	-176.4	0	0	0	0	111.1	N422 I481	V420-N422 PolarHBondContact O-N 3.21Å; V420-I481 HydrophobicContact CG1-CG1 4.19Å
421	E	58.7	Low	71.6	Confident	165 Å²	165	45.3 Å²	45.3	77%	0.771	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-1.8	173.6	-59.5	176.5	156.5	0	0	113.8	N419 I423	N419-E421 PolarHBondContact ND2-OE2 2.96Å; N419-E421 PolarHBondContact O-N 3.35Å; N419-E421 PolarHBondContact OD1-N 3.36Å; E421-I423 PolarHBondContact O-N 3.16Å; E421-I423 VanDerWaalsContact O-N 3.13Å
422	N	66.4	Low	73.3	Confident	26 Å²	26	45.4 Å²	45.4	14%	0.139	23%	0.234	C	C	.	.			trans	-67.9	112.6	177.7	-172.9	-12.3	0	0	0	110.3	N417 N419 V420 S424 L425	N417-N422 WeakPolarHBondContact CB-ND2 3.45Å; N417-N422 PolarHBondContact O-ND2 3.41Å; N419-N422 WeakPolarHBondContact O-CB 3.42Å; N419-N422 PolarHBondContact O-N 3.4Å; V420-N422 PolarHBondContact O-N 3.21Å; N422-S424 PolarHBondContact O-N 3.29Å; N422-S424 VanDerWaalsContact O-N 3.15Å; N422-S424 WeakPolarHBondContact OD1-CB 3.17Å; N422-S424 PolarHBondContact OD1-N 2.93Å; N422-S424 PolarHBondContact OD1-OG 3.32Å; N422-L425 VanDerWaalsContact O-CB 3.24Å; N422-L425 WeakPolarHBondContact O-CB 3.39Å; N422-L425 PolarHBondContact O-N 2.99Å
423	I	69.8	Low	74.9	Confident	99 Å²	99	42.1 Å²	42.1	51%	0.508	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-30.5	-179.7	-164.4	151	0	0	0	112.7	E421 L425 K426	E421-I423 PolarHBondContact O-N 3.16Å; E421-I423 VanDerWaalsContact O-N 3.13Å; I423-L425 PolarHBondContact O-N 3.08Å; I423-K426 WeakPolarHBondContact O-CB 3.43Å; I423-K426 PolarHBondContact O-N 3.17Å
424	S	77.2	Confident	76.8	Confident	9 Å²	9	38.5 Å²	38.5	6%	0.063	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-29.3	177.9	-48.6	0	0	0	0	112.8	P380 N422 K426 F428	P380-S424 VanDerWaalsContact O-CA 3.25Å; P380-S424 WeakPolarHBondContact O-CA 3.38Å; P380-S424 VanDerWaalsContact O-CB 3.24Å; P380-S424 WeakPolarHBondContact O-CB 3.36Å; P380-S424 PolarHBondContact O-OG 2.91Å; N422-S424 PolarHBondContact O-N 3.29Å; N422-S424 VanDerWaalsContact O-N 3.15Å; N422-S424 WeakPolarHBondContact OD1-CB 3.17Å; N422-S424 PolarHBondContact OD1-N 2.93Å; N422-S424 PolarHBondContact OD1-OG 3.32Å; S424-K426 PolarHBondContact O-N 3.39Å; S424-F428 VanDerWaalsContact O-CD2 3.26Å; S424-F428 WeakPolarHBondContact O-CD2 3.49Å
425	L	84.4	Confident	78.5	Confident	4 Å²	4	38.2 Å²	38.2	2%	0.021	20%	0.203	C	C	.	.	H	α-helix	trans	-66.3	-26.5	-177.4	-173.8	62.2	0	0	0	112.3	W95 N422 I423 S427 F428 S429 I481	W95-L425 HydrophobicContact CB-CD1 3.97Å; W95-L425 HydrophobicContact CD2-CD1 3.45Å; W95-L425 VanDerWaalsContact CD2-CD1 3.45Å; W95-L425 HydrophobicContact CD2-CD2 3.92Å; W95-L425 HydrophobicContact CD2-CG 4.34Å; W95-L425 HydrophobicContact CE3-CD1 3.6Å; W95-L425 HydrophobicContact CG-CD1 3.66Å; W95-L425 HydrophobicContact CG-CD2 3.94Å; W95-L425 HydrophobicContact CG-CG 4.4Å; W95-L425 HydrophobicContact CH2-CD1 4.37Å; W95-L425 HydrophobicContact CZ2-CD1 4.33Å; W95-L425 HydrophobicContact CZ2-CD2 3.96Å; W95-L425 HydrophobicContact CZ3-CD1 4.07Å; N422-L425 VanDerWaalsContact O-CB 3.24Å; N422-L425 WeakPolarHBondContact O-CB 3.39Å; N422-L425 PolarHBondContact O-N 2.99Å; I423-L425 PolarHBondContact O-N 3.08Å; L425-S427 PolarHBondContact O-N 3.05Å; L425-F428 PolarHBondContact O-N 3.03Å; L425-S429 WeakPolarHBondContact O-CB 3.41Å; L425-S429 PolarHBondContact O-N 2.75Å; L425-I481 HydrophobicContact CD2-CD1 3.5Å; L425-I481 VanDerWaalsContact CD2-CD1 3.5Å; L425-I481 HydrophobicContact CG-CD1 3.79Å
426	K	89	Confident	80.3	Confident	71 Å²	71	37.6 Å²	37.6	31%	0.309	20%	0.2	S	C	.	.	H	α-helix	trans	-55.2	-41.1	-177.6	-167.8	-175.9	-172.8	-150.9	0	111.8	I423 S424 V447 D448 I481 H482	I423-K426 WeakPolarHBondContact O-CB 3.43Å; I423-K426 PolarHBondContact O-N 3.17Å; S424-K426 PolarHBondContact O-N 3.39Å; K426-V447 HydrophobicContact CD-CG2 4.44Å; K426-V447 WeakPolarHBondContact CE-O 3.4Å; K426-V447 HydrophobicContact CG-CG2 3.99Å; K426-V447 PolarHBondContact NZ-O 3.32Å; K426-V447 WeakPolarHBondContact O-CG2 3.35Å; K426-D448 PolarHBondContact NZ-O 3.05Å; K426-I481 HydrophobicContact CB-CG2 4.44Å; K426-I481 HydrophobicContact CG-CG2 4.27Å; K426-H482 VanDerWaalsContact CG-CE1 3.44Å; K426-H482 WeakPolarHBondContact CG-CE1 3.43Å; K426-H482 PolarHBondContact O-CE1 2.96Å; K426-H482 PolarHBondContact O-NE2 2.99Å
427	S	91.6	Very high	82.1	Confident	5 Å²	5	33.9 Å²	33.9	4%	0.035	17%	0.174	C	C	.	.	H	α-helix	trans	-73.2	-40.6	179.9	-60.7	0	0	0	0	113.4	P380 N393 L396 L425 R430	P380-S427 WeakPolarHBondContact CG-OG 3.41Å; N393-S427 WeakPolarHBondContact OD1-CB 3.42Å; N393-S427 PolarHBondContact OD1-OG 3.27Å; L396-S427 WeakPolarHBondContact CD1-O 3.44Å; L425-S427 PolarHBondContact O-N 3.05Å; S427-R430 WeakPolarHBondContact O-CD 3.44Å; S427-R430 WeakPolarHBondContact O-CG 3.47Å
428	F	92.1	Very high	84.1	Confident	11 Å²	11	29.4 Å²	29.4	5%	0.048	15%	0.15	C	C	.	.	H	α-helix	trans	-81.3	-37.4	-175.8	-61.9	-70	0	0	0	113.2	F375 L379 P380 L396 W406 Y408 L414 S424 L425 R430	F375-F428 HydrophobicContact CE2-CE1 4.26Å; F375-F428 HydrophobicContact CZ-CE1 4.13Å; L379-F428 HydrophobicContact CD1-CE2 4.11Å; P380-F428 HydrophobicContact CG-CE2 4.41Å; L396-F428 HydrophobicContact CD1-CD1 3.96Å; L396-F428 HydrophobicContact CD1-CE1 4.25Å; W406-F428 HydrophobicContact CH2-CB 4.47Å; W406-F428 HydrophobicContact CH2-CD1 4.32Å; W406-F428 HydrophobicContact CZ3-CD1 4.38Å; Y408-F428 HydrophobicContact CD1-CE1 4.3Å; Y408-F428 HydrophobicContact CD1-CZ 4.22Å; Y408-F428 AromaticContact CD2-CE1 3.48Å; Y408-F428 HydrophobicContact CD2-CE1 3.48Å; Y408-F428 VanDerWaalsContact CD2-CE1 3.48Å; Y408-F428 AromaticContact CD2-CZ 3.68Å; Y408-F428 HydrophobicContact CD2-CZ 3.68Å; Y408-F428 HydrophobicContact CE1-CZ 4.2Å; Y408-F428 AromaticContact CE2-CE1 3.92Å; Y408-F428 HydrophobicContact CE2-CE1 3.92Å; Y408-F428 AromaticContact CE2-CZ 3.62Å; Y408-F428 HydrophobicContact CE2-CZ 3.62Å; Y408-F428 HydrophobicContact CG-CD1 4.47Å; Y408-F428 AromaticContact CG-CE1 3.68Å; Y408-F428 HydrophobicContact CG-CE1 3.68Å; Y408-F428 AromaticContact CG-CZ 3.98Å; Y408-F428 HydrophobicContact CG-CZ 3.98Å; Y408-F428 AromaticContact CZ-CZ 3.91Å; L414-F428 HydrophobicContact CD2-CD2 4.29Å; L414-F428 HydrophobicContact CD2-CE2 4.26Å; S424-F428 VanDerWaalsContact O-CD2 3.26Å; S424-F428 WeakPolarHBondContact O-CD2 3.49Å; L425-F428 PolarHBondContact O-N 3.03Å; F428-R430 VanDerWaalsContact C-N 3.27Å; F428-R430 PolarHBondContact O-N 3.38Å
429	S	92.9	Very high	86	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.152	C	C	.	.	S	Bend	trans	-82.5	73.7	177.1	178.9	0	0	0	0	109.7	W95 L425 P478 I481 H482	W95-S429 WeakPolarHBondContact O-CA 3.26Å; W95-S429 WeakPolarHBondContact O-CB 3.41Å; W95-S429 PolarHBondContact O-OG 3.33Å; L425-S429 WeakPolarHBondContact O-CB 3.41Å; L425-S429 PolarHBondContact O-N 2.75Å; S429-P478 WeakPolarHBondContact O-CG 3.48Å; S429-P478 WeakPolarHBondContact OG-CB 3.35Å; S429-P478 WeakPolarHBondContact OG-CG 3.34Å; S429-I481 WeakPolarHBondContact OG-CD1 3.33Å; S429-H482 PolarHBondContact O-CD2 3.08Å; S429-H482 PolarHBondContact O-NE2 2.97Å
430	R	95.2	Very high	87.8	Confident	1 Å²	1	27.1 Å²	27.1	0%	0.004	14%	0.138	C	C	.	.			trans	-88	157	-179	-54.9	175.9	72.1	78.8	-2.5	110.8	N397 D400 S427 F428 Y432 F445 F476	N397-R430 PolarHBondContact OD1-NH2 2.93Å; D400-R430 IonicContact OD1-NE 2.65Å; D400-R430 IonicContact OD2-CZ 2.68Å; D400-R430 IonicContact OD2-NE 4Å; D400-R430 PolarHBondContact OD2-NE 3.32Å; D400-R430 IonicContact OD2-NH2 3.57Å; D400-R430 PolarHBondContact OD2-NH2 2.79Å; S427-R430 WeakPolarHBondContact O-CD 3.44Å; S427-R430 WeakPolarHBondContact O-CG 3.47Å; F428-R430 VanDerWaalsContact C-N 3.27Å; F428-R430 PolarHBondContact O-N 3.38Å; R430-Y432 WeakPolarHBondContact O-CD1 3.33Å; R430-F445 HydrophobicContact CB-CD1 3.58Å; R430-F445 HydrophobicContact CB-CE1 3.91Å; R430-F445 HydrophobicContact CB-CG 4.24Å; R430-F445 HydrophobicContact CG-CD1 3.84Å; R430-F445 HydrophobicContact CG-CE1 4.1Å; R430-F445 PolarHBondContact NH2-O 3.48Å; R430-F476 WeakPolarHBondContact O-CD1 3.45Å
431	T	97.8	Very high	89.7	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.14	C	C	.	.			trans	-77.8	126.5	165.9	-57.6	0	0	0	0	109.1	F452 I475 F476 A477 Y483 I528	T431-F452 HydrophobicContact CG2-CB 3.7Å; T431-F452 HydrophobicContact CG2-CD1 3.85Å; T431-F452 HydrophobicContact CG2-CD2 3.56Å; T431-F452 HydrophobicContact CG2-CE1 4.31Å; T431-F452 HydrophobicContact CG2-CE2 4.04Å; T431-F452 HydrophobicContact CG2-CG 3.41Å; T431-F452 VanDerWaalsContact CG2-CG 3.41Å; T431-F452 HydrophobicContact CG2-CZ 4.37Å; T431-F452 WeakPolarHBondContact O-CD2 3.4Å; T431-F452 VanDerWaalsContact O-CE2 3.31Å; T431-F452 WeakPolarHBondContact O-CE2 3.36Å; T431-I475 HydrophobicContact CG2-CG2 3.81Å; T431-F476 CarbonylContact C-O 3.51Å; T431-F476 WeakPolarHBondContact CA-O 3.3Å; T431-F476 WeakPolarHBondContact CG2-O 3.31Å; T431-A477 HydrophobicContact CG2-CB 4.2Å; T431-Y483 WeakPolarHBondContact CB-OH 3.35Å; T431-Y483 WeakPolarHBondContact OG1-CE2 3.37Å; T431-Y483 PolarHBondContact OG1-OH 3.02Å; T431-I528 HydrophobicContact CG2-CD1 4.1Å
432	Y	98.5	Very high	91.6	Very high	1 Å²	1	23.3 Å²	23.3	0%	0.004	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	154.2	-177.5	77.3	-80.9	0	0	0	112.8	L65 H67 G96 N98 R430 Q434 I475 F476	L65-Y432 HydrophobicContact CB-CD2 4.44Å; L65-Y432 HydrophobicContact CD2-CD2 4.02Å; L65-Y432 HydrophobicContact CG-CD2 4.3Å; H67-Y432 HydrophobicContact CB-CE1 4.2Å; H67-Y432 HydrophobicContact CB-CE2 4.34Å; H67-Y432 AromaticContact CE1-CD1 3.68Å; H67-Y432 AromaticContact CE1-CD2 3.55Å; H67-Y432 AromaticContact CE1-CG 3.34Å; H67-Y432 AromaticContact CG-CE1 3.97Å; H67-Y432 AromaticContact CG-CE2 3.82Å; H67-Y432 AromaticContact CG-CZ 3.73Å; H67-Y432 AromaticContact ND1-CD1 3.31Å; H67-Y432 VanDerWaalsContact ND1-CD1 3.31Å; H67-Y432 WeakPolarHBondContact ND1-CD1 3.39Å; H67-Y432 AromaticContact ND1-CD2 3.67Å; H67-Y432 AromaticContact ND1-CE1 3.39Å; H67-Y432 WeakPolarHBondContact ND1-CE1 3.43Å; H67-Y432 AromaticContact ND1-CE2 3.74Å; H67-Y432 AromaticContact ND1-CG 3.45Å; H67-Y432 AromaticContact ND1-CZ 3.6Å; H67-Y432 AromaticContact NE2-CD2 3.94Å; G96-Y432 WeakPolarHBondContact O-CE1 2.96Å; G96-Y432 PolarHBondContact O-OH 2.93Å; N98-Y432 PolarHBondContact ND2-OH 3.06Å; R430-Y432 WeakPolarHBondContact O-CD1 3.33Å; Y432-Q434 HydrophobicContact CD2-CG 4.22Å; Y432-Q434 HydrophobicContact CE1-CG 4.29Å; Y432-Q434 HydrophobicContact CE2-CB 4.35Å; Y432-Q434 HydrophobicContact CE2-CG 3.45Å; Y432-Q434 VanDerWaalsContact CE2-CG 3.45Å; Y432-Q434 VanDerWaalsContact CZ-CG 3.5Å; Y432-Q434 PolarHBondContact O-N 3.02Å; Y432-Q434 WeakPolarHBondContact OH-CG 3.15Å; Y432-Q434 PolarHBondContact OH-NE2 2.74Å; Y432-I475 WeakPolarHBondContact O-CA 3.36Å; Y432-F476 HydrophobicContact CD1-CB 4.1Å; Y432-F476 AromaticContact CD1-CD1 3.98Å; Y432-F476 HydrophobicContact CD1-CD1 3.98Å; Y432-F476 HydrophobicContact CD1-CG 4.47Å; Y432-F476 HydrophobicContact CE1-CB 3.91Å; Y432-F476 AromaticContact CE1-CD1 3.81Å; Y432-F476 HydrophobicContact CE1-CD1 3.81Å; Y432-F476 HydrophobicContact CE1-CG 4.11Å; Y432-F476 PolarHBondContact N-O 3.31Å; Y432-F476 PolarHBondContact O-N 3.17Å
433	P	98.2	Very high	93.1	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	113.9	174.1	31.8	-34	0	0	0	110.7	L65 F403 L443 Y454 E474 I475	L65-P433 WeakPolarHBondContact CB-O 2.99Å; F403-P433 HydrophobicContact CE2-CG 3.93Å; F403-P433 HydrophobicContact CZ-CG 4.5Å; P433-L443 HydrophobicContact CG-CD1 4.34Å; P433-Y454 HydrophobicContact CB-CD1 3.92Å; P433-Y454 HydrophobicContact CB-CE1 3.64Å; P433-Y454 HydrophobicContact CB-CE2 4.48Å; P433-Y454 HydrophobicContact CB-CG 4.43Å; P433-Y454 HydrophobicContact CG-CD1 3.99Å; P433-Y454 HydrophobicContact CG-CD2 3.87Å; P433-Y454 HydrophobicContact CG-CE1 3.79Å; P433-Y454 HydrophobicContact CG-CE2 3.71Å; P433-Y454 HydrophobicContact CG-CG 4.03Å; P433-E474 CarbonylContact C-O 3.51Å; P433-E474 WeakPolarHBondContact CA-O 3.46Å; P433-I475 HydrophobicContact CB-CG1 4.45Å
434	Q	97.5	Very high	94.5	Very high	22 Å²	22	22.1 Å²	22.1	10%	0.103	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	-27.5	175.1	-74.5	-169.8	-6.7	0	0	113	K64 L65 Y432 E474 F476	K64-Q434 WeakPolarHBondContact CE-O 3.43Å; K64-Q434 PolarHBondContact NZ-O 3.11Å; K64-Q434 VanDerWaalsContact NZ-O 3.11Å; L65-Q434 PolarHBondContact N-O 2.81Å; Y432-Q434 HydrophobicContact CD2-CG 4.22Å; Y432-Q434 HydrophobicContact CE1-CG 4.29Å; Y432-Q434 HydrophobicContact CE2-CB 4.35Å; Y432-Q434 HydrophobicContact CE2-CG 3.45Å; Y432-Q434 VanDerWaalsContact CE2-CG 3.45Å; Y432-Q434 VanDerWaalsContact CZ-CG 3.5Å; Y432-Q434 PolarHBondContact O-N 3.02Å; Y432-Q434 WeakPolarHBondContact OH-CG 3.15Å; Y432-Q434 PolarHBondContact OH-NE2 2.74Å; Q434-E474 PolarHBondContact N-O 3.23Å; Q434-F476 HydrophobicContact CG-CB 4.08Å
435	S	97.2	Very high	95.5	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.007	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	134.2	-178.8	-44.7	0	0	0	0	109.4	I63 K64 A473 E474	I63-S435 CarbonylContact O-C 3.54Å; I63-S435 VanDerWaalsContact O-CA 3.3Å; I63-S435 WeakPolarHBondContact O-CA 3.27Å; K64-S435 PolarHBondContact NZ-OG 3.18Å; S435-A473 CarbonylContact O-C 3.21Å; S435-A473 VanDerWaalsContact O-CA 3.27Å; S435-A473 WeakPolarHBondContact O-CA 3.44Å; S435-E474 WeakPolarHBondContact CB-OE2 3.08Å; S435-E474 PolarHBondContact N-O 2.99Å; S435-E474 PolarHBondContact O-N 2.97Å; S435-E474 PolarHBondContact OG-OE2 3.04Å
436	T	97.9	Very high	96.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	129	177.8	-54.2	0	0	0	0	112	F62 I63 G438 Y454 F456	F62-T436 CarbonylContact C-O 3.59Å; F62-T436 WeakPolarHBondContact CA-O 3.21Å; I63-T436 PolarHBondContact N-O 2.87Å; I63-T436 PolarHBondContact O-N 3.07Å; T436-G438 PolarHBondContact O-N 3.49Å; T436-Y454 HydrophobicContact CG2-CE1 3.93Å; T436-Y454 WeakPolarHBondContact CG2-OH 3.44Å; T436-Y454 WeakPolarHBondContact OG1-CE1 3.49Å; T436-Y454 PolarHBondContact OG1-OH 2.89Å; T436-F456 HydrophobicContact CG2-CB 4.06Å; T436-F456 HydrophobicContact CG2-CD1 3.9Å; T436-F456 HydrophobicContact CG2-CD2 3.45Å; T436-F456 VanDerWaalsContact CG2-CD2 3.45Å; T436-F456 HydrophobicContact CG2-CE1 4.13Å; T436-F456 HydrophobicContact CG2-CE2 3.71Å; T436-F456 HydrophobicContact CG2-CG 3.53Å; T436-F456 HydrophobicContact CG2-CZ 4.04Å
437	A	95.1	Very high	96.3	Very high	5 Å²	5	22.6 Å²	22.6	4%	0.041	12%	0.117	C	C	.	.	S	Bend	trans	-83.4	56	172.5	0	0	0	0	0	111.3	F62 T459 V472	F62-A437 HydrophobicContact CD1-CB 4.14Å; F62-A437 HydrophobicContact CD2-CB 4.26Å; F62-A437 HydrophobicContact CE1-CB 3.78Å; F62-A437 HydrophobicContact CE2-CB 3.89Å; F62-A437 HydrophobicContact CG-CB 4.38Å; F62-A437 HydrophobicContact CZ-CB 3.65Å; A437-T459 PolarHBondContact O-N 2.86Å; A437-T459 VanDerWaalsContact O-N 3.12Å; A437-T459 PolarHBondContact O-OG1 2.92Å; A437-V472 PolarHBondContact N-O 3.17Å
438	G	94	Very high	96.4	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.01	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.1	166	-172.1	0	0	0	0	0	113.5	I63 T436 P440 I457	I63-G438 WeakPolarHBondContact CD1-O 3.49Å; T436-G438 PolarHBondContact O-N 3.49Å; G438-P440 WeakPolarHBondContact O-CD 3.29Å; G438-I457 CarbonylContact C-O 3.58Å; G438-I457 WeakPolarHBondContact CA-O 3.37Å
439	Q	95.1	Very high	96.6	Very high	57 Å²	57	30.3 Å²	30.3	27%	0.266	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	116.9	-178.7	-65.8	-63.7	-18.5	0	0	110.3	F456 I457 T459	Q439-F456 CarbonylContact O-C 2.86Å; Q439-F456 WeakPolarHBondContact O-CA 3.43Å; Q439-F456 VanDerWaalsContact O-CB 3.29Å; Q439-F456 WeakPolarHBondContact O-CB 3.35Å; Q439-I457 HydrophobicContact CB-CB 4.44Å; Q439-I457 PolarHBondContact N-O 3.24Å; Q439-I457 PolarHBondContact O-N 3.03Å; Q439-T459 HydrophobicContact CG-CG2 4.07Å
440	P	97.4	Very high	96.7	Very high	17 Å²	17	30.4 Å²	30.4	11%	0.11	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	137	176.3	-21	31.1	0	0	0	111.6	Y55 I63 F403 G438 Y454	Y55-P440 HydrophobicContact CE2-CG 4.45Å; I63-P440 HydrophobicContact CG2-CG 4.12Å; F403-P440 HydrophobicContact CD1-CB 4.27Å; F403-P440 HydrophobicContact CD1-CG 3.79Å; F403-P440 HydrophobicContact CD2-CB 3.67Å; F403-P440 HydrophobicContact CD2-CG 3.91Å; F403-P440 HydrophobicContact CE1-CB 4.37Å; F403-P440 HydrophobicContact CE1-CG 3.54Å; F403-P440 HydrophobicContact CE2-CB 3.75Å; F403-P440 HydrophobicContact CE2-CG 3.64Å; F403-P440 HydrophobicContact CG-CB 3.93Å; F403-P440 HydrophobicContact CG-CG 3.97Å; F403-P440 HydrophobicContact CZ-CB 4.11Å; F403-P440 HydrophobicContact CZ-CG 3.44Å; F403-P440 VanDerWaalsContact CZ-CG 3.44Å; G438-P440 WeakPolarHBondContact O-CD 3.29Å; P440-Y454 HydrophobicContact CB-CE2 4.15Å
441	V	97.7	Very high	96.8	Very high	83 Å²	83	32.9 Å²	32.9	50%	0.503	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	-45.6	176	175.1	0	0	0	0	110.5	A455 I457 L523	V441-A455 HydrophobicContact CB-CB 4.41Å; V441-A455 PolarHBondContact N-O 3.28Å; V441-I457 HydrophobicContact CG2-CD1 4.14Å; V441-I457 HydrophobicContact CG2-CG1 3.68Å; V441-L523 HydrophobicContact CB-CD1 4.37Å; V441-L523 HydrophobicContact CG2-CD1 4Å
442	Q	98.3	Very high	96.9	Very high	77 Å²	77	32.9 Å²	32.9	36%	0.36	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	138.8	-176.6	-173.4	173	-2.9	0	0	110.1	E444 Y453 Y454 A455	Q442-E444 HydrophobicContact CG-CG 4.33Å; Q442-E444 PolarHBondContact NE2-OE1 2.58Å; Q442-Y453 HydrophobicContact CB-CE1 4.08Å; Q442-Y453 HydrophobicContact CG-CD1 4.12Å; Q442-Y453 HydrophobicContact CG-CE1 3.95Å; Q442-Y454 WeakPolarHBondContact O-CA 3.35Å; Q442-Y454 WeakPolarHBondContact O-CD2 3.42Å; Q442-A455 HydrophobicContact CB-CB 4.36Å; Q442-A455 PolarHBondContact N-O 3.03Å; Q442-A455 PolarHBondContact O-N 3.15Å
443	L	98.7	Very high	96.9	Very high	4 Å²	4	35.1 Å²	35.1	2%	0.021	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	123.6	175.9	170.1	60.9	0	0	0	108.2	L65 D400 F403 P433 F452 Y454	L65-L443 HydrophobicContact CD2-CD2 3.72Å; D400-L443 HydrophobicContact CB-CD2 4.2Å; D400-L443 HydrophobicContact CB-CG 4.03Å; F403-L443 HydrophobicContact CD2-CB 4.47Å; F403-L443 HydrophobicContact CD2-CD2 4.02Å; F403-L443 HydrophobicContact CE2-CD2 4.33Å; P433-L443 HydrophobicContact CG-CD1 4.34Å; L443-F452 HydrophobicContact CD1-CD2 4.32Å; L443-F452 HydrophobicContact CD1-CE2 3.49Å; L443-F452 VanDerWaalsContact CD1-CE2 3.49Å; L443-F452 HydrophobicContact CD1-CZ 4.21Å; L443-Y454 HydrophobicContact CB-CD2 4.09Å; L443-Y454 HydrophobicContact CD1-CD2 4.15Å
444	E	98.3	Very high	96.9	Very high	96 Å²	96	35.1 Å²	35.1	45%	0.449	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	136.8	177.1	-66.1	-178.5	-175	0	0	110.2	Q442 Y453	Q442-E444 HydrophobicContact CG-CG 4.33Å; Q442-E444 PolarHBondContact NE2-OE1 2.58Å; E444-Y453 PolarHBondContact N-O 3.02Å; E444-Y453 PolarHBondContact O-N 3.21Å
445	F	98.4	Very high	97	Very high	8 Å²	8	34.1 Å²	34.1	4%	0.035	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	126.3	170.9	179.3	-109.2	0	0	0	109.3	R430 V447 F452 H482	R430-F445 HydrophobicContact CB-CD1 3.58Å; R430-F445 HydrophobicContact CB-CE1 3.91Å; R430-F445 HydrophobicContact CB-CG 4.24Å; R430-F445 HydrophobicContact CG-CD1 3.84Å; R430-F445 HydrophobicContact CG-CE1 4.1Å; R430-F445 PolarHBondContact NH2-O 3.48Å; F445-V447 HydrophobicContact CE1-CB 4.23Å; F445-F452 HydrophobicContact CD2-CB 4.01Å; F445-F452 HydrophobicContact CD2-CD2 4.44Å; F445-H482 AromaticContact CE1-CE1 3.96Å; F445-H482 AromaticContact CE1-NE2 3.65Å; F445-H482 HydrophobicContact CZ-CB 4.47Å; F445-H482 AromaticContact CZ-CD2 3.42Å; F445-H482 VanDerWaalsContact CZ-CD2 3.42Å; F445-H482 WeakPolarHBondContact CZ-CD2 3.42Å; F445-H482 AromaticContact CZ-CE1 3.67Å; F445-H482 AromaticContact CZ-CG 3.71Å; F445-H482 AromaticContact CZ-ND1 3.87Å; F445-H482 AromaticContact CZ-NE2 3.45Å; F445-H482 WeakPolarHBondContact CZ-NE2 3.43Å
446	D	97.4	Very high	97	Very high	76 Å²	76	34.1 Å²	34.1	41%	0.406	18%	0.183	S	C	.	.			trans	-97.8	110	174.3	-178.8	-55.9	0	0	0	108.3	D448 S449 G450 V451	D446-D448 PolarHBondContact O-N 3.37Å; D446-D448 PolarHBondContact OD1-N 3.2Å; D446-S449 VanDerWaalsContact CB-OG 3.28Å; D446-S449 WeakPolarHBondContact CB-OG 3.17Å; D446-S449 WeakPolarHBondContact OD1-CB 3.37Å; D446-S449 PolarHBondContact OD1-N 2.81Å; D446-S449 PolarHBondContact OD1-OG 3.35Å; D446-G450 VanDerWaalsContact O-CA 3.24Å; D446-G450 WeakPolarHBondContact O-CA 3.33Å; D446-G450 PolarHBondContact O-N 3.13Å; D446-V451 PolarHBondContact N-O 3.19Å
447	V	94.3	Very high	96.8	Very high	9 Å²	9	38 Å²	38	6%	0.055	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-25.6	-176.3	66.1	0	0	0	0	113	K426 F445	K426-V447 HydrophobicContact CD-CG2 4.44Å; K426-V447 WeakPolarHBondContact CE-O 3.4Å; K426-V447 HydrophobicContact CG-CG2 3.99Å; K426-V447 PolarHBondContact NZ-O 3.32Å; K426-V447 WeakPolarHBondContact O-CG2 3.35Å; F445-V447 HydrophobicContact CE1-CB 4.23Å
448	D	92.9	Very high	96.7	Very high	123 Å²	123	38.2 Å²	38.2	66%	0.658	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-46.4	-175.3	-69.9	-37.2	0	0	0	111.2	K426 D446	K426-D448 PolarHBondContact NZ-O 3.05Å; D446-D448 PolarHBondContact O-N 3.37Å; D446-D448 PolarHBondContact OD1-N 3.2Å
449	S	95.3	Very high	96.4	Very high	56 Å²	56	41.6 Å²	41.6	39%	0.392	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-16.3	179.9	67.4	0	0	0	0	114.2	D446 V451 P530	D446-S449 VanDerWaalsContact CB-OG 3.28Å; D446-S449 WeakPolarHBondContact CB-OG 3.17Å; D446-S449 WeakPolarHBondContact OD1-CB 3.37Å; D446-S449 PolarHBondContact OD1-N 2.81Å; D446-S449 PolarHBondContact OD1-OG 3.35Å; S449-V451 PolarHBondContact O-N 3.22Å; S449-V451 WeakPolarHBondContact OG-CG2 3.26Å; S449-V451 PolarHBondContact OG-N 3.13Å; S449-P530 VanDerWaalsContact O-CG 3.26Å; S449-P530 WeakPolarHBondContact O-CG 3.34Å
450	G	95.5	Very high	95.6	Very high	2 Å²	2	42.5 Å²	42.5	2%	0.021	23%	0.229	C	C	.	.			trans	69.8	9.4	-174	0	0	0	0	0	114.1	D446 Y483	D446-G450 VanDerWaalsContact O-CA 3.24Å; D446-G450 WeakPolarHBondContact O-CA 3.33Å; D446-G450 PolarHBondContact O-N 3.13Å; G450-Y483 VanDerWaalsContact O-CE1 3.27Å; G450-Y483 WeakPolarHBondContact O-CE1 3.38Å; G450-Y483 PolarHBondContact O-OH 3.16Å
451	V	98.3	Very high	94.3	Very high	53 Å²	53	49.1 Å²	49.1	32%	0.321	26%	0.256	S	S	.	.			trans	-75.3	130	179.6	177.8	0	0	0	0	109.6	D446 S449 I529	D446-V451 PolarHBondContact N-O 3.19Å; S449-V451 PolarHBondContact O-N 3.22Å; S449-V451 WeakPolarHBondContact OG-CG2 3.26Å; S449-V451 PolarHBondContact OG-N 3.13Å; V451-I529 HydrophobicContact CG2-CG2 4.38Å
452	F	98.7	Very high	93.1	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	137.3	178.7	168.6	-99.9	0	0	0	110.4	T431 L443 F445 Y454 I475 I526 T527 I528	T431-F452 HydrophobicContact CG2-CB 3.7Å; T431-F452 HydrophobicContact CG2-CD1 3.85Å; T431-F452 HydrophobicContact CG2-CD2 3.56Å; T431-F452 HydrophobicContact CG2-CE1 4.31Å; T431-F452 HydrophobicContact CG2-CE2 4.04Å; T431-F452 HydrophobicContact CG2-CG 3.41Å; T431-F452 VanDerWaalsContact CG2-CG 3.41Å; T431-F452 HydrophobicContact CG2-CZ 4.37Å; T431-F452 WeakPolarHBondContact O-CD2 3.4Å; T431-F452 VanDerWaalsContact O-CE2 3.31Å; T431-F452 WeakPolarHBondContact O-CE2 3.36Å; L443-F452 HydrophobicContact CD1-CD2 4.32Å; L443-F452 HydrophobicContact CD1-CE2 3.49Å; L443-F452 VanDerWaalsContact CD1-CE2 3.49Å; L443-F452 HydrophobicContact CD1-CZ 4.21Å; F445-F452 HydrophobicContact CD2-CB 4.01Å; F445-F452 HydrophobicContact CD2-CD2 4.44Å; F452-Y454 HydrophobicContact CZ-CG 4.18Å; F452-I475 HydrophobicContact CE1-CD1 4Å; F452-I475 HydrophobicContact CE1-CG2 4.03Å; F452-I475 HydrophobicContact CZ-CD1 4.42Å; F452-I475 HydrophobicContact CZ-CG2 4.05Å; F452-I526 HydrophobicContact CE1-CG2 4.25Å; F452-T527 CarbonylContact O-C 3.44Å; F452-T527 VanDerWaalsContact O-CA 3.28Å; F452-T527 WeakPolarHBondContact O-CA 3.41Å; F452-T527 WeakPolarHBondContact O-CG2 3.46Å; F452-I528 HydrophobicContact CB-CB 4.16Å; F452-I528 HydrophobicContact CD1-CB 4.12Å; F452-I528 HydrophobicContact CD1-CD1 3.79Å; F452-I528 HydrophobicContact CD1-CG1 3.86Å; F452-I528 HydrophobicContact CE1-CD1 4.17Å; F452-I528 PolarHBondContact N-O 3.22Å; F452-I528 PolarHBondContact O-N 2.61Å
453	Y	98.7	Very high	92.1	Very high	48 Å²	48	49.5 Å²	49.5	19%	0.188	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	132	171.5	178.3	-95.2	0	0	0	110.4	Q442 E444 A455 E525 I526	Q442-Y453 HydrophobicContact CB-CE1 4.08Å; Q442-Y453 HydrophobicContact CG-CD1 4.12Å; Q442-Y453 HydrophobicContact CG-CE1 3.95Å; E444-Y453 PolarHBondContact N-O 3.02Å; E444-Y453 PolarHBondContact O-N 3.21Å; Y453-A455 HydrophobicContact CE1-CB 3.91Å; Y453-E525 HydrophobicContact CE2-CB 4.16Å; Y453-E525 WeakPolarHBondContact CE2-OE2 3.5Å; Y453-E525 PolarHBondContact OH-OE2 2.93Å; Y453-I526 WeakPolarHBondContact CA-O 3.47Å
454	Y	98.8	Very high	91	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	132.4	173.9	-178.9	-126.7	0	0	0	111.2	F403 P433 T436 P440 Q442 L443 F452 F456 E525 I526	F403-Y454 AromaticContact CE2-CE2 3.97Å; F403-Y454 HydrophobicContact CE2-CE2 3.97Å; P433-Y454 HydrophobicContact CB-CD1 3.92Å; P433-Y454 HydrophobicContact CB-CE1 3.64Å; P433-Y454 HydrophobicContact CB-CE2 4.48Å; P433-Y454 HydrophobicContact CB-CG 4.43Å; P433-Y454 HydrophobicContact CG-CD1 3.99Å; P433-Y454 HydrophobicContact CG-CD2 3.87Å; P433-Y454 HydrophobicContact CG-CE1 3.79Å; P433-Y454 HydrophobicContact CG-CE2 3.71Å; P433-Y454 HydrophobicContact CG-CG 4.03Å; T436-Y454 HydrophobicContact CG2-CE1 3.93Å; T436-Y454 WeakPolarHBondContact CG2-OH 3.44Å; T436-Y454 WeakPolarHBondContact OG1-CE1 3.49Å; T436-Y454 PolarHBondContact OG1-OH 2.89Å; P440-Y454 HydrophobicContact CB-CE2 4.15Å; Q442-Y454 WeakPolarHBondContact O-CA 3.35Å; Q442-Y454 WeakPolarHBondContact O-CD2 3.42Å; L443-Y454 HydrophobicContact CB-CD2 4.09Å; L443-Y454 HydrophobicContact CD1-CD2 4.15Å; F452-Y454 HydrophobicContact CZ-CG 4.18Å; Y454-F456 AromaticContact CD1-CD1 3.71Å; Y454-F456 HydrophobicContact CD1-CD1 3.71Å; Y454-F456 HydrophobicContact CD1-CE1 4.15Å; Y454-F456 HydrophobicContact CE1-CB 4.2Å; Y454-F456 AromaticContact CE1-CD1 3.3Å; Y454-F456 HydrophobicContact CE1-CD1 3.3Å; Y454-F456 AromaticContact CE1-CE1 3.9Å; Y454-F456 HydrophobicContact CE1-CE1 3.9Å; Y454-F456 HydrophobicContact CE1-CG 4.01Å; Y454-F456 AromaticContact CZ-CD1 3.97Å; Y454-E525 CarbonylContact O-C 3.57Å; Y454-E525 WeakPolarHBondContact O-CA 3.49Å; Y454-I526 PolarHBondContact N-O 2.82Å; Y454-I526 PolarHBondContact O-N 3.35Å
455	A	98.5	Very high	90.2	Very high	1 Å²	1	56 Å²	56	1%	0.008	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	139.8	175.8	0	0	0	0	0	111.3	V441 Q442 Y453 L523 I524 E525	V441-A455 HydrophobicContact CB-CB 4.41Å; V441-A455 PolarHBondContact N-O 3.28Å; Q442-A455 HydrophobicContact CB-CB 4.36Å; Q442-A455 PolarHBondContact N-O 3.03Å; Q442-A455 PolarHBondContact O-N 3.15Å; Y453-A455 HydrophobicContact CE1-CB 3.91Å; A455-L523 HydrophobicContact CB-CD1 4.2Å; A455-I524 CarbonylContact C-O 3.37Å; A455-I524 WeakPolarHBondContact CA-O 3.03Å; A455-E525 HydrophobicContact CB-CG 4.19Å
456	F	97.6	Very high	89.1	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	155.5	178.9	66.6	-85.9	0	0	0	112.4	T436 Q439 Y454 V472 A473 I524 I526	T436-F456 HydrophobicContact CG2-CB 4.06Å; T436-F456 HydrophobicContact CG2-CD1 3.9Å; T436-F456 HydrophobicContact CG2-CD2 3.45Å; T436-F456 VanDerWaalsContact CG2-CD2 3.45Å; T436-F456 HydrophobicContact CG2-CE1 4.13Å; T436-F456 HydrophobicContact CG2-CE2 3.71Å; T436-F456 HydrophobicContact CG2-CG 3.53Å; T436-F456 HydrophobicContact CG2-CZ 4.04Å; Q439-F456 CarbonylContact O-C 2.86Å; Q439-F456 WeakPolarHBondContact O-CA 3.43Å; Q439-F456 VanDerWaalsContact O-CB 3.29Å; Q439-F456 WeakPolarHBondContact O-CB 3.35Å; Y454-F456 AromaticContact CD1-CD1 3.71Å; Y454-F456 HydrophobicContact CD1-CD1 3.71Å; Y454-F456 HydrophobicContact CD1-CE1 4.15Å; Y454-F456 HydrophobicContact CE1-CB 4.2Å; Y454-F456 AromaticContact CE1-CD1 3.3Å; Y454-F456 HydrophobicContact CE1-CD1 3.3Å; Y454-F456 AromaticContact CE1-CE1 3.9Å; Y454-F456 HydrophobicContact CE1-CE1 3.9Å; Y454-F456 HydrophobicContact CE1-CG 4.01Å; Y454-F456 AromaticContact CZ-CD1 3.97Å; F456-V472 HydrophobicContact CE2-CB 4.34Å; F456-V472 HydrophobicContact CZ-CB 4.07Å; F456-V472 HydrophobicContact CZ-CG2 4.15Å; F456-A473 HydrophobicContact CE1-CB 4.29Å; F456-A473 HydrophobicContact CZ-CB 4.33Å; F456-I524 HydrophobicContact CD1-CB 4.24Å; F456-I524 HydrophobicContact CD1-CG2 4.16Å; F456-I524 HydrophobicContact CD2-CB 4.48Å; F456-I524 HydrophobicContact CE1-CB 3.86Å; F456-I524 HydrophobicContact CE1-CG2 3.44Å; F456-I524 VanDerWaalsContact CE1-CG2 3.44Å; F456-I524 HydrophobicContact CE2-CB 4.14Å; F456-I524 HydrophobicContact CE2-CD1 3.75Å; F456-I524 HydrophobicContact CE2-CG1 4.46Å; F456-I524 HydrophobicContact CE2-CG2 4.42Å; F456-I524 HydrophobicContact CZ-CB 3.82Å; F456-I524 HydrophobicContact CZ-CD1 3.73Å; F456-I524 HydrophobicContact CZ-CG1 4.36Å; F456-I524 HydrophobicContact CZ-CG2 3.61Å; F456-I524 PolarHBondContact N-O 3.42Å; F456-I524 PolarHBondContact O-N 3.27Å; F456-I526 HydrophobicContact CE1-CD1 3.9Å
457	I	94.9	Very high	88.3	Confident	81 Å²	81	62.7 Å²	62.7	42%	0.415	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	115.3	174.7	-55.2	179.7	0	0	0	108.2	G438 Q439 V441 T459 E522 L523	G438-I457 CarbonylContact C-O 3.58Å; G438-I457 WeakPolarHBondContact CA-O 3.37Å; Q439-I457 HydrophobicContact CB-CB 4.44Å; Q439-I457 PolarHBondContact N-O 3.24Å; Q439-I457 PolarHBondContact O-N 3.03Å; V441-I457 HydrophobicContact CG2-CD1 4.14Å; V441-I457 HydrophobicContact CG2-CG1 3.68Å; I457-T459 PolarHBondContact O-N 2.9Å; I457-E522 WeakPolarHBondContact CG1-O 3.28Å; I457-L523 HydrophobicContact CG1-CD1 4.43Å
458	P	92.8	Very high	88	Confident	11 Å²	11	64 Å²	64	7%	0.071	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	131.4	-179.7	25.4	-32.9	0	0	0	111.3	I521 I524	P458-I521 HydrophobicContact CG-CB 4.46Å; P458-I521 HydrophobicContact CG-CG2 4.42Å; P458-I524 HydrophobicContact CB-CD1 4.03Å; P458-I524 HydrophobicContact CG-CD1 4.06Å; P458-I524 HydrophobicContact CG-CG1 4.34Å
459	T	87.2	Confident	87.8	Confident	72 Å²	72	60.4 Å²	60.4	44%	0.442	34%	0.338	S	S	.	.			trans	-87.8	-30.9	178.2	46.7	0	0	0	0	112.1	A437 Q439 I457 K461	A437-T459 PolarHBondContact O-N 2.86Å; A437-T459 VanDerWaalsContact O-N 3.12Å; A437-T459 PolarHBondContact O-OG1 2.92Å; Q439-T459 HydrophobicContact CG-CG2 4.07Å; I457-T459 PolarHBondContact O-N 2.9Å; T459-K461 PolarHBondContact O-N 3.22Å
460	Q	77.3	Confident	87.6	Confident	75 Å²	75	59.5 Å²	59.5	35%	0.35	33%	0.329	S	S	.	.			trans	-75.3	121.6	177.4	-166.2	175.9	24.9	0	0	109.8	M517	Q460-M517 HydrophobicContact CB-CE 3.81Å; Q460-M517 HydrophobicContact CG-CE 3.61Å; Q460-M517 WeakPolarHBondContact O-CE 3.08Å
461	K	70.4	Confident	87.5	Confident	156 Å²	156	61.3 Å²	61.3	68%	0.678	34%	0.338	S	S	*	.			trans	-113.9	-11.9	-178.5	-63	-172.2	179	-174.9	0	114.2	T459	T459-K461 PolarHBondContact O-N 3.22Å
462	N	72	Confident	87.3	Confident	138 Å²	138	58.8 Å²	58.8	74%	0.738	32%	0.323	S	S	*	.			trans	-118	133.7	-175.3	-71.7	-18.9	0	0	0	110.4
463	C	78	Confident	87.2	Confident	31 Å²	31	58.8 Å²	58.8	21%	0.209	32%	0.323	C	S	.	.			trans	-131.6	126.8	167.1	-179.2	0	0	0	0	109.8	N465 S468 L470 C514 M517	C463-N465 PolarHBondContact SG-O 2.84Å; C463-S468 PolarHBondContact SG-OG 3.01Å; C463-S468 VanDerWaalsContact SG-OG 3.36Å; C463-L470 HydrophobicContact CB-CD1 3.59Å; C463-C514 HydrophobicContact CB-CB 3.45Å; C463-C514 VanDerWaalsContact CB-CB 3.45Å; C463-C514 WeakPolarHBondContact CB-SG 3.09Å; C463-C514 WeakPolarHBondContact SG-CB 3.31Å; C463-C514 CovalentContact SG-SG 2Å; C463-C514 PolarHBondContact SG-SG 2.88Å; C463-M517 HydrophobicContact CB-CG 4.31Å
464	T	76.7	Confident	87.1	Confident	151 Å²	151	58.6 Å²	58.6	93%	0.926	32%	0.324	S	S	*	.	S	Bend	trans	-81.1	-29.9	-174.7	52.3	0	0	0	0	112.9
465	N	80.8	Confident	87.1	Confident	86 Å²	86	58.6 Å²	58.6	46%	0.46	32%	0.324	S	S	.	.			trans	-112.8	108.3	179.5	-175.5	-4.3	0	0	0	111.2	C463 N467 S468 C514	C463-N465 PolarHBondContact SG-O 2.84Å; N465-N467 PolarHBondContact O-N 3.37Å; N465-N467 VanDerWaalsContact O-N 3.16Å; N465-N467 PolarHBondContact OD1-N 2.74Å; N465-N467 VanDerWaalsContact OD1-N 3.11Å; N465-S468 WeakPolarHBondContact O-CB 3.4Å; N465-S468 PolarHBondContact O-N 3.32Å; N465-S468 PolarHBondContact O-OG 3.35Å; N465-C514 WeakPolarHBondContact O-CB 3.39Å; N465-C514 PolarHBondContact O-SG 3.32Å
466	V	75.7	Confident	87	Confident	67 Å²	67	58.6 Å²	58.6	41%	0.406	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-28	-177.3	-177.1	0	0	0	0	113	S468 T515	V466-S468 VanDerWaalsContact C-N 3.28Å; V466-S468 PolarHBondContact O-N 3.29Å; V466-T515 HydrophobicContact CG1-CG2 3.78Å
467	N	80.3	Confident	86.9	Confident	156 Å²	156	58.6 Å²	58.6	83%	0.834	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	1.2	179.3	-66	-23.1	0	0	0	113.2	N465	N465-N467 PolarHBondContact O-N 3.37Å; N465-N467 VanDerWaalsContact O-N 3.16Å; N465-N467 PolarHBondContact OD1-N 2.74Å; N465-N467 VanDerWaalsContact OD1-N 3.11Å
468	S	87	Confident	86.8	Confident	37 Å²	37	54.8 Å²	54.8	26%	0.259	30%	0.304	S	S	.	.			trans	-95.4	165.1	177.8	71.2	0	0	0	0	112.1	C463 N465 V466 C514	C463-S468 PolarHBondContact SG-OG 3.01Å; C463-S468 VanDerWaalsContact SG-OG 3.36Å; N465-S468 WeakPolarHBondContact O-CB 3.4Å; N465-S468 PolarHBondContact O-N 3.32Å; N465-S468 PolarHBondContact O-OG 3.35Å; V466-S468 VanDerWaalsContact C-N 3.28Å; V466-S468 PolarHBondContact O-N 3.29Å; S468-C514 WeakPolarHBondContact O-CB 3.17Å; S468-C514 PolarHBondContact O-N 2.77Å; S468-C514 VanDerWaalsContact O-N 3.1Å; S468-C514 PolarHBondContact O-SG 2.72Å; S468-C514 PolarHBondContact OG-SG 3.07Å
469	A	89	Confident	86.7	Confident	47 Å²	47	56.3 Å²	56.3	39%	0.388	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	138.7	169.3	0	0	0	0	0	108.1	M512	A469-M512 CarbonylContact C-O 3.59Å; A469-M512 WeakPolarHBondContact CA-O 3.41Å
470	L	91	Very high	86.7	Confident	37 Å²	37	56.3 Å²	56.3	19%	0.194	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	136.3	-176	-67.5	166.2	0	0	0	109.4	C463 V472 Y511 M512 M517	C463-L470 HydrophobicContact CB-CD1 3.59Å; L470-V472 PolarHBondContact O-N 3.27Å; L470-Y511 CarbonylContact O-C 3.52Å; L470-Y511 WeakPolarHBondContact O-CA 3.25Å; L470-M512 PolarHBondContact N-O 3.31Å; L470-M512 PolarHBondContact O-N 3.14Å; L470-M517 HydrophobicContact CB-CE 4.44Å; L470-M517 HydrophobicContact CD1-CE 3.27Å; L470-M517 HydrophobicContact CG-CE 4.46Å
471	L	93.3	Very high	87.3	Confident	40 Å²	40	54.3 Å²	54.3	21%	0.209	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	127.7	172.6	-178.5	69.3	0	0	0	108.5	F62 E474 F509 Y511	F62-L471 HydrophobicContact CE1-CD2 4.12Å; F62-L471 HydrophobicContact CE1-CG 4.11Å; F62-L471 HydrophobicContact CZ-CB 4.42Å; F62-L471 HydrophobicContact CZ-CD2 4.37Å; F62-L471 HydrophobicContact CZ-CG 4.36Å; F62-L471 WeakPolarHBondContact CZ-O 3.18Å; L471-E474 HydrophobicContact CD1-CG 4.37Å; L471-E474 HydrophobicContact CD2-CG 4.03Å; L471-F509 HydrophobicContact CD1-CB 3.82Å; L471-F509 HydrophobicContact CD1-CD1 3.97Å; L471-F509 HydrophobicContact CD1-CG 4.41Å; L471-F509 HydrophobicContact CD2-CD1 4.47Å; L471-Y511 HydrophobicContact CB-CD1 4.22Å; L471-Y511 HydrophobicContact CB-CE1 4.01Å; L471-Y511 HydrophobicContact CD1-CE1 4.1Å; L471-Y511 HydrophobicContact CD1-CE2 4.42Å
472	V	95	Very high	88.3	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.006	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	-25.1	179.6	-66.8	0	0	0	0	113.3	A437 F456 L470 V510 M512 I524	A437-V472 PolarHBondContact N-O 3.17Å; F456-V472 HydrophobicContact CE2-CB 4.34Å; F456-V472 HydrophobicContact CZ-CB 4.07Å; F456-V472 HydrophobicContact CZ-CG2 4.15Å; L470-V472 PolarHBondContact O-N 3.27Å; V472-V510 HydrophobicContact CG2-CB 4.29Å; V472-V510 HydrophobicContact CG2-CG1 3.98Å; V472-V510 WeakPolarHBondContact CG2-O 3.27Å; V472-V510 PolarHBondContact N-O 3.25Å; V472-M512 HydrophobicContact CG1-CB 3.6Å; V472-M512 HydrophobicContact CG1-CE 3.98Å; V472-M512 HydrophobicContact CG2-CB 4.33Å; V472-I524 HydrophobicContact CG2-CD1 4.45Å
473	A	96.8	Very high	89.3	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	146.3	175.3	0	0	0	0	0	111.8	S435 F456 I475 V510 I526	S435-A473 CarbonylContact O-C 3.21Å; S435-A473 VanDerWaalsContact O-CA 3.27Å; S435-A473 WeakPolarHBondContact O-CA 3.44Å; F456-A473 HydrophobicContact CE1-CB 4.29Å; F456-A473 HydrophobicContact CZ-CB 4.33Å; A473-I475 HydrophobicContact CB-CG1 4.35Å; A473-V510 HydrophobicContact CB-CB 4.28Å; A473-V510 PolarHBondContact N-O 3.33Å; A473-V510 PolarHBondContact O-N 3.21Å; A473-I526 HydrophobicContact CB-CD1 4.27Å
474	E	96.7	Very high	89.9	Confident	43 Å²	43	43.3 Å²	43.3	20%	0.201	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	114.3	166.6	-60.9	178.7	163	0	0	107.6	P433 Q434 S435 L471 L508 F509	P433-E474 CarbonylContact C-O 3.51Å; P433-E474 WeakPolarHBondContact CA-O 3.46Å; Q434-E474 PolarHBondContact N-O 3.23Å; S435-E474 WeakPolarHBondContact CB-OE2 3.08Å; S435-E474 PolarHBondContact N-O 2.99Å; S435-E474 PolarHBondContact O-N 2.97Å; S435-E474 PolarHBondContact OG-OE2 3.04Å; L471-E474 HydrophobicContact CD1-CG 4.37Å; L471-E474 HydrophobicContact CD2-CG 4.03Å; E474-L508 WeakPolarHBondContact CA-O 3.37Å; E474-F509 HydrophobicContact CG-CD1 3.88Å; E474-F509 HydrophobicContact CG-CE1 3.95Å
475	I	97.9	Very high	90.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	122.1	-175.8	-62.4	168.6	0	0	0	108.7	T431 Y432 P433 F452 A473 L507 L508 V510 I526 I528	T431-I475 HydrophobicContact CG2-CG2 3.81Å; Y432-I475 WeakPolarHBondContact O-CA 3.36Å; P433-I475 HydrophobicContact CB-CG1 4.45Å; F452-I475 HydrophobicContact CE1-CD1 4Å; F452-I475 HydrophobicContact CE1-CG2 4.03Å; F452-I475 HydrophobicContact CZ-CD1 4.42Å; F452-I475 HydrophobicContact CZ-CG2 4.05Å; A473-I475 HydrophobicContact CB-CG1 4.35Å; I475-L507 WeakPolarHBondContact O-CA 3.39Å; I475-L508 HydrophobicContact CB-CB 4.38Å; I475-L508 PolarHBondContact N-O 3.32Å; I475-L508 PolarHBondContact O-N 3.21Å; I475-V510 HydrophobicContact CD1-CG2 4.08Å; I475-I526 HydrophobicContact CD1-CB 4.33Å; I475-I526 HydrophobicContact CD1-CD1 3.64Å; I475-I526 HydrophobicContact CD1-CG2 3.69Å; I475-I528 HydrophobicContact CG2-CD1 3.89Å
476	F	97	Very high	91.2	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.009	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	127.8	167.2	175.9	-99	0	0	0	109.8	D94 W95 G96 R430 T431 Y432 Q434 P478 N506 L507	D94-F476 WeakPolarHBondContact O-CZ 3.5Å; W95-F476 VanDerWaalsContact C-CZ 3.41Å; G96-F476 VanDerWaalsContact CA-CE2 3.41Å; R430-F476 WeakPolarHBondContact O-CD1 3.45Å; T431-F476 CarbonylContact C-O 3.51Å; T431-F476 WeakPolarHBondContact CA-O 3.3Å; T431-F476 WeakPolarHBondContact CG2-O 3.31Å; Y432-F476 HydrophobicContact CD1-CB 4.1Å; Y432-F476 AromaticContact CD1-CD1 3.98Å; Y432-F476 HydrophobicContact CD1-CD1 3.98Å; Y432-F476 HydrophobicContact CD1-CG 4.47Å; Y432-F476 HydrophobicContact CE1-CB 3.91Å; Y432-F476 AromaticContact CE1-CD1 3.81Å; Y432-F476 HydrophobicContact CE1-CD1 3.81Å; Y432-F476 HydrophobicContact CE1-CG 4.11Å; Y432-F476 PolarHBondContact N-O 3.31Å; Y432-F476 PolarHBondContact O-N 3.17Å; Q434-F476 HydrophobicContact CG-CB 4.08Å; F476-P478 HydrophobicContact CE1-CB 3.78Å; F476-P478 HydrophobicContact CE1-CG 3.91Å; F476-P478 HydrophobicContact CZ-CB 3.69Å; F476-P478 HydrophobicContact CZ-CG 4.34Å; F476-N506 CarbonylContact C-O 3.51Å; F476-N506 WeakPolarHBondContact CA-O 3.06Å; F476-N506 HydrophobicContact CD2-CB 3.98Å; F476-N506 WeakPolarHBondContact CD2-O 3.35Å; F476-N506 HydrophobicContact CE2-CB 3.57Å; F476-N506 HydrophobicContact CZ-CB 4.4Å; F476-L507 HydrophobicContact CB-CD2 3.98Å; F476-L507 HydrophobicContact CD2-CD2 4.27Å
477	A	95.8	Very high	92.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.204	C	C	.	.			trans	-136	108.6	176.4	0	0	0	0	0	108.6	T431 M479 Y483 M487 N506 L508	T431-A477 HydrophobicContact CG2-CB 4.2Å; A477-M479 PolarHBondContact O-N 3.02Å; A477-Y483 HydrophobicContact CB-CD2 4.08Å; A477-Y483 HydrophobicContact CB-CE2 3.79Å; A477-M487 HydrophobicContact CB-SD 4.49Å; A477-N506 PolarHBondContact N-O 2.96Å; A477-N506 VanDerWaalsContact O-CA 3.22Å; A477-N506 WeakPolarHBondContact O-CA 3.45Å; A477-N506 WeakPolarHBondContact O-CB 3.36Å; A477-L508 HydrophobicContact CB-CD1 3.36Å
478	P	92.2	Very high	92.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.194	C	C	.	.			trans	-77	94.4	-175.5	30.7	-35.2	0	0	0	110.8	S429 F476 S480 I481 H482	S429-P478 WeakPolarHBondContact O-CG 3.48Å; S429-P478 WeakPolarHBondContact OG-CB 3.35Å; S429-P478 WeakPolarHBondContact OG-CG 3.34Å; F476-P478 HydrophobicContact CE1-CB 3.78Å; F476-P478 HydrophobicContact CE1-CG 3.91Å; F476-P478 HydrophobicContact CZ-CB 3.69Å; F476-P478 HydrophobicContact CZ-CG 4.34Å; P478-S480 VanDerWaalsContact C-N 3.29Å; P478-S480 PolarHBondContact O-N 3.37Å; P478-I481 HydrophobicContact CB-CB 4.16Å; P478-I481 HydrophobicContact CB-CD1 4.19Å; P478-I481 HydrophobicContact CB-CG1 4.46Å; P478-I481 HydrophobicContact CG-CB 4.41Å; P478-I481 PolarHBondContact O-N 3.44Å; P478-I481 VanDerWaalsContact O-N 3.1Å; P478-H482 HydrophobicContact CG-CB 4.3Å; P478-H482 VanDerWaalsContact CG-CD2 3.42Å; P478-H482 WeakPolarHBondContact CG-CD2 3.5Å; P478-H482 PolarHBondContact O-N 2.78Å
479	M	90.4	Very high	93.2	Very high	44 Å²	44	35.7 Å²	35.7	22%	0.217	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-39	-171.8	-65.9	-58	-61.8	0	0	112.9	A477 I481 Y483 P484 M487 T505 N506	A477-M479 PolarHBondContact O-N 3.02Å; M479-I481 VanDerWaalsContact C-N 3.32Å; M479-I481 PolarHBondContact O-N 2.97Å; M479-Y483 CarbonylContact O-C 3.56Å; M479-Y483 WeakPolarHBondContact O-CA 3.02Å; M479-Y483 PolarHBondContact O-N 3.15Å; M479-Y483 VanDerWaalsContact O-O 3.06Å; M479-Y483 HydrophobicContact SD-CD2 4.34Å; M479-P484 VanDerWaalsContact O-CA 3.3Å; M479-P484 WeakPolarHBondContact O-CA 3.46Å; M479-M487 HydrophobicContact SD-CE 4.16Å; M479-M487 HydrophobicContact SD-SD 3.99Å; M479-T505 WeakPolarHBondContact CG-O 3.5Å; M479-N506 PolarHBondContact N-OD1 3.46Å
480	S	87.8	Confident	93.7	Very high	72 Å²	72	41.2 Å²	41.2	50%	0.503	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-17.2	-178.8	55.7	0	0	0	0	114.5	P478	P478-S480 VanDerWaalsContact C-N 3.29Å; P478-S480 PolarHBondContact O-N 3.37Å
481	I	88.9	Confident	94	Very high	33 Å²	33	40.3 Å²	40.3	17%	0.169	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	-53.6	-172	-60.6	170	0	0	0	110.5	V420 L425 K426 S429 P478 M479	V420-I481 HydrophobicContact CG1-CG1 4.19Å; L425-I481 HydrophobicContact CD2-CD1 3.5Å; L425-I481 VanDerWaalsContact CD2-CD1 3.5Å; L425-I481 HydrophobicContact CG-CD1 3.79Å; K426-I481 HydrophobicContact CB-CG2 4.44Å; K426-I481 HydrophobicContact CG-CG2 4.27Å; S429-I481 WeakPolarHBondContact OG-CD1 3.33Å; P478-I481 HydrophobicContact CB-CB 4.16Å; P478-I481 HydrophobicContact CB-CD1 4.19Å; P478-I481 HydrophobicContact CB-CG1 4.46Å; P478-I481 HydrophobicContact CG-CB 4.41Å; P478-I481 PolarHBondContact O-N 3.44Å; P478-I481 VanDerWaalsContact O-N 3.1Å; M479-I481 VanDerWaalsContact C-N 3.32Å; M479-I481 PolarHBondContact O-N 2.97Å
482	H	92.6	Very high	94.1	Very high	11 Å²	11	41.5 Å²	41.5	5%	0.051	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-17.9	-173.6	-67.8	-58.2	0	0	0	113.5	K426 S429 F445 P478 P484 P530	K426-H482 VanDerWaalsContact CG-CE1 3.44Å; K426-H482 WeakPolarHBondContact CG-CE1 3.43Å; K426-H482 PolarHBondContact O-CE1 2.96Å; K426-H482 PolarHBondContact O-NE2 2.99Å; S429-H482 PolarHBondContact O-CD2 3.08Å; S429-H482 PolarHBondContact O-NE2 2.97Å; F445-H482 AromaticContact CE1-CE1 3.96Å; F445-H482 AromaticContact CE1-NE2 3.65Å; F445-H482 HydrophobicContact CZ-CB 4.47Å; F445-H482 AromaticContact CZ-CD2 3.42Å; F445-H482 VanDerWaalsContact CZ-CD2 3.42Å; F445-H482 WeakPolarHBondContact CZ-CD2 3.42Å; F445-H482 AromaticContact CZ-CE1 3.67Å; F445-H482 AromaticContact CZ-CG 3.71Å; F445-H482 AromaticContact CZ-ND1 3.87Å; F445-H482 AromaticContact CZ-NE2 3.45Å; F445-H482 WeakPolarHBondContact CZ-NE2 3.43Å; P478-H482 HydrophobicContact CG-CB 4.3Å; P478-H482 VanDerWaalsContact CG-CD2 3.42Å; P478-H482 WeakPolarHBondContact CG-CD2 3.5Å; P478-H482 PolarHBondContact O-N 2.78Å; H482-P484 VanDerWaalsContact C-CD 3.44Å; H482-P530 WeakPolarHBondContact O-CG 3.46Å
483	Y	93.2	Very high	94.1	Very high	1 Å²	1	42.5 Å²	42.5	0%	0.004	21%	0.211	C	C	.	.			trans	-131.8	45.4	-176.1	-46.7	-73	0	0	0	114	T431 G450 A477 M479 H485 G486 M487 I528 P530	T431-Y483 WeakPolarHBondContact CB-OH 3.35Å; T431-Y483 WeakPolarHBondContact OG1-CE2 3.37Å; T431-Y483 PolarHBondContact OG1-OH 3.02Å; G450-Y483 VanDerWaalsContact O-CE1 3.27Å; G450-Y483 WeakPolarHBondContact O-CE1 3.38Å; G450-Y483 PolarHBondContact O-OH 3.16Å; A477-Y483 HydrophobicContact CB-CD2 4.08Å; A477-Y483 HydrophobicContact CB-CE2 3.79Å; M479-Y483 CarbonylContact O-C 3.56Å; M479-Y483 WeakPolarHBondContact O-CA 3.02Å; M479-Y483 PolarHBondContact O-N 3.15Å; M479-Y483 VanDerWaalsContact O-O 3.06Å; M479-Y483 HydrophobicContact SD-CD2 4.34Å; Y483-H485 PolarHBondContact O-N 2.82Å; Y483-H485 VanDerWaalsContact O-N 3.09Å; Y483-G486 WeakPolarHBondContact O-CA 3.42Å; Y483-G486 PolarHBondContact O-N 2.73Å; Y483-M487 HydrophobicContact CD1-CB 3.87Å; Y483-M487 HydrophobicContact CE1-CB 4.49Å; Y483-M487 HydrophobicContact CG-CB 4.15Å; Y483-I528 HydrophobicContact CD1-CG2 4.4Å; Y483-I528 HydrophobicContact CE1-CG2 3.77Å; Y483-P530 HydrophobicContact CD1-CB 4.03Å; Y483-P530 HydrophobicContact CD1-CG 3.71Å; Y483-P530 HydrophobicContact CE1-CB 4.46Å; Y483-P530 HydrophobicContact CE1-CG 3.68Å
484	P	89.8	Confident	93.9	Very high	82 Å²	82	50.7 Å²	50.7	53%	0.532	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-25.3	-171.6	25	-35.4	0	0	0	113.5	M479 H482	M479-P484 VanDerWaalsContact O-CA 3.3Å; M479-P484 WeakPolarHBondContact O-CA 3.46Å; H482-P484 VanDerWaalsContact C-CD 3.44Å
485	H	92.4	Very high	93.8	Very high	99 Å²	99	54.2 Å²	54.2	46%	0.458	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	13.1	176.3	-54.3	-57.5	0	0	0	112.8	Y483 K531 N533	Y483-H485 PolarHBondContact O-N 2.82Å; Y483-H485 VanDerWaalsContact O-N 3.09Å; H485-K531 HydrophobicContact CB-CB 4.45Å; H485-K531 WeakPolarHBondContact O-CD 3.07Å; H485-N533 PolarHBondContact CD2-OD1 2.88Å; H485-N533 VanDerWaalsContact CD2-OD1 3.26Å; H485-N533 PolarHBondContact CE1-ND2 3.41Å; H485-N533 PolarHBondContact CE1-OD1 3.33Å; H485-N533 PolarHBondContact ND1-OD1 3.24Å; H485-N533 PolarHBondContact NE2-ND2 3.43Å; H485-N533 PolarHBondContact NE2-OD1 3.46Å
486	G	92.6	Very high	93.6	Very high	17 Å²	17	54.6 Å²	54.6	18%	0.175	27%	0.268	C	S	.	.			trans	85.8	-178.1	-172.5	0	0	0	0	0	113.2	Y483 K531	Y483-G486 WeakPolarHBondContact O-CA 3.42Å; Y483-G486 PolarHBondContact O-N 2.73Å; G486-K531 PolarHBondContact O-N 2.81Å
487	M	94	Very high	93.5	Very high	17 Å²	17	57.2 Å²	57.2	8%	0.084	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	156.2	-174.4	62.4	-166.6	168.6	0	0	111.5	A477 M479 Y483 Y498 V500 L508 I528 I529 K531	A477-M487 HydrophobicContact CB-SD 4.49Å; M479-M487 HydrophobicContact SD-CE 4.16Å; M479-M487 HydrophobicContact SD-SD 3.99Å; Y483-M487 HydrophobicContact CD1-CB 3.87Å; Y483-M487 HydrophobicContact CE1-CB 4.49Å; Y483-M487 HydrophobicContact CG-CB 4.15Å; M487-Y498 HydrophobicContact CE-CE2 4.03Å; M487-V500 HydrophobicContact CE-CG2 4.01Å; M487-L508 HydrophobicContact CE-CD1 3.64Å; M487-L508 HydrophobicContact CE-CD2 3.52Å; M487-L508 HydrophobicContact CE-CG 3.62Å; M487-L508 HydrophobicContact SD-CD1 3.97Å; M487-L508 HydrophobicContact SD-CD2 3.83Å; M487-L508 HydrophobicContact SD-CG 4.31Å; M487-I528 HydrophobicContact CB-CG2 3.75Å; M487-I528 HydrophobicContact CG-CG2 4.2Å; M487-I528 HydrophobicContact SD-CG2 3.87Å; M487-I529 CarbonylContact C-O 3.5Å; M487-I529 WeakPolarHBondContact CA-O 3.17Å; M487-K531 VanDerWaalsContact O-CE 3.28Å; M487-K531 WeakPolarHBondContact O-CE 3.19Å
488	R	95.4	Very high	93.5	Very high	161 Å²	161	61.4 Å²	61.4	61%	0.608	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.7	136.2	165.6	-62.7	-179.3	-176.9	166.6	2.8	107.9	I529 K531	R488-I529 PolarHBondContact N-O 2.84Å; R488-I529 PolarHBondContact O-N 2.99Å; R488-K531 HydrophobicContact CG-CG 3.77Å
489	T	96.4	Very high	93.5	Very high	42 Å²	42	66.9 Å²	66.9	26%	0.258	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	140.5	177.5	58.3	0	0	0	0	110.2	F491 Y498 L508 T527 I528	T489-F491 HydrophobicContact CG2-CZ 4.07Å; T489-Y498 HydrophobicContact CG2-CD1 4.31Å; T489-Y498 HydrophobicContact CG2-CE1 3.81Å; T489-Y498 VanDerWaalsContact OG1-CE1 3.3Å; T489-Y498 WeakPolarHBondContact OG1-CE1 3.39Å; T489-L508 HydrophobicContact CG2-CD2 4.31Å; T489-T527 CarbonylContact C-O 3.45Å; T489-T527 VanDerWaalsContact CA-O 3.31Å; T489-T527 WeakPolarHBondContact CA-O 3.26Å; T489-I528 HydrophobicContact CG2-CG1 4.35Å
490	R	97.7	Very high	93.4	Very high	163 Å²	163	67.6 Å²	67.6	62%	0.615	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.6	131	166	-178	-175.8	179.6	-169.6	-2.2	107.8	T527	R490-T527 PolarHBondContact N-O 3.12Å; R490-T527 PolarHBondContact O-N 3.2Å
491	F	97.6	Very high	93	Very high	19 Å²	19	69.2 Å²	69.2	8%	0.083	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	140.4	179.2	-59.9	-56.8	0	0	0	110.5	T489 P493 E494 L496 Y498 V510 E525 I526	T489-F491 HydrophobicContact CG2-CZ 4.07Å; F491-P493 CarbonylContact C-O 3.5Å; F491-P493 WeakPolarHBondContact CB-O 3.45Å; F491-P493 CarbonylContact O-C 3.47Å; F491-E494 WeakPolarHBondContact O-CA 3.43Å; F491-E494 PolarHBondContact O-N 2.68Å; F491-L496 HydrophobicContact CB-CB 3.87Å; F491-L496 HydrophobicContact CB-CD1 4.14Å; F491-L496 HydrophobicContact CB-CG 4.4Å; F491-L496 HydrophobicContact CD1-CB 4.43Å; F491-L496 HydrophobicContact CD1-CD1 4.46Å; F491-L496 HydrophobicContact CD2-CB 4.13Å; F491-L496 HydrophobicContact CG-CB 3.9Å; F491-L496 HydrophobicContact CG-CD1 4.47Å; F491-Y498 AromaticContact CE2-CD1 3.59Å; F491-Y498 HydrophobicContact CE2-CD1 3.59Å; F491-Y498 HydrophobicContact CE2-CE1 4.19Å; F491-Y498 AromaticContact CZ-CD1 3.6Å; F491-Y498 HydrophobicContact CZ-CD1 3.6Å; F491-Y498 HydrophobicContact CZ-CE1 4.33Å; F491-Y498 HydrophobicContact CZ-CG 4.16Å; F491-V510 HydrophobicContact CE1-CG1 4.34Å; F491-V510 HydrophobicContact CE1-CG2 4.45Å; F491-E525 WeakPolarHBondContact CA-O 3.24Å; F491-I526 HydrophobicContact CD1-CB 4.29Å; F491-I526 HydrophobicContact CD1-CG1 3.92Å; F491-I526 HydrophobicContact CD1-CG2 4.08Å; F491-I526 HydrophobicContact CE1-CB 4.37Å; F491-I526 HydrophobicContact CE1-CG1 4.13Å; F491-I526 HydrophobicContact CE1-CG2 3.71Å
492	I	96.1	Very high	91.9	Very high	65 Å²	65	76.4 Å²	76.4	33%	0.333	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	120.2	163.3	-59.8	173.1	0	0	0	105.5	I524 E525	I492-I524 CarbonylContact O-C 3.56Å; I492-I524 VanDerWaalsContact O-CA 3.29Å; I492-I524 WeakPolarHBondContact O-CA 3.48Å; I492-E525 HydrophobicContact CB-CB 4.04Å; I492-E525 HydrophobicContact CB-CG 4.35Å; I492-E525 HydrophobicContact CD1-CB 4.48Å; I492-E525 PolarHBondContact N-O 3.32Å; I492-E525 PolarHBondContact O-N 3.38Å
493	P	94.1	Very high	90.5	Very high	21 Å²	21	83 Å²	83	14%	0.136	40%	0.398	C	S	.	.	S	Bend	cis	-66.9	152.7	-7.5	29.3	-36.3	0	0	0	113.6	F491 Q495 L496 L516 I521	F491-P493 CarbonylContact C-O 3.5Å; F491-P493 WeakPolarHBondContact CB-O 3.45Å; F491-P493 CarbonylContact O-C 3.47Å; P493-Q495 PolarHBondContact O-N 2.94Å; P493-Q495 VanDerWaalsContact O-N 3.15Å; P493-L496 HydrophobicContact CG-CG 4.29Å; P493-L496 WeakPolarHBondContact O-CG 3.04Å; P493-L496 PolarHBondContact O-N 3.1Å; P493-L516 HydrophobicContact CB-CD1 4.39Å; P493-L516 HydrophobicContact CB-CD2 3.86Å; P493-L516 HydrophobicContact CG-CD1 4.44Å; P493-L516 HydrophobicContact CG-CD2 3.21Å; P493-L516 HydrophobicContact CG-CG 4.1Å; P493-I521 HydrophobicContact CG-CD1 4.17Å
494	E	94.5	Very high	89.3	Confident	172 Å²	172	84.3 Å²	84.3	80%	0.804	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-18.3	-175	-66.8	-175.5	169.7	0	0	114	F491 L496	F491-E494 WeakPolarHBondContact O-CA 3.43Å; F491-E494 PolarHBondContact O-N 2.68Å; E494-L496 PolarHBondContact O-N 3.09Å
495	Q	93	Very high	88.8	Confident	117 Å²	117	84 Å²	84	55%	0.547	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-7	-179.8	-60	88.5	-27.4	0	0	113.3	P493 P513 L516	P493-Q495 PolarHBondContact O-N 2.94Å; P493-Q495 VanDerWaalsContact O-N 3.15Å; Q495-P513 HydrophobicContact CB-CG 4.12Å; Q495-P513 WeakPolarHBondContact O-CD 3.11Å; Q495-P513 WeakPolarHBondContact O-CG 3.45Å; Q495-L516 HydrophobicContact CB-CD1 4.41Å; Q495-L516 HydrophobicContact CB-CD2 3.96Å; Q495-L516 HydrophobicContact CG-CD1 4.37Å
496	L	94.9	Very high	88.7	Confident	9 Å²	9	79.8 Å²	79.8	5%	0.047	38%	0.383	C	S	.	.			trans	-62.5	146.1	170.8	-62.6	-179.7	0	0	0	110.2	F491 P493 E494 V510 M512 I524	F491-L496 HydrophobicContact CB-CB 3.87Å; F491-L496 HydrophobicContact CB-CD1 4.14Å; F491-L496 HydrophobicContact CB-CG 4.4Å; F491-L496 HydrophobicContact CD1-CB 4.43Å; F491-L496 HydrophobicContact CD1-CD1 4.46Å; F491-L496 HydrophobicContact CD2-CB 4.13Å; F491-L496 HydrophobicContact CG-CB 3.9Å; F491-L496 HydrophobicContact CG-CD1 4.47Å; P493-L496 HydrophobicContact CG-CG 4.29Å; P493-L496 WeakPolarHBondContact O-CG 3.04Å; P493-L496 PolarHBondContact O-N 3.1Å; E494-L496 PolarHBondContact O-N 3.09Å; L496-V510 HydrophobicContact CB-CG1 4.43Å; L496-V510 HydrophobicContact CD1-CG1 4.43Å; L496-M512 HydrophobicContact CD2-CB 3.59Å; L496-M512 HydrophobicContact CD2-CG 3.77Å; L496-M512 HydrophobicContact CD2-SD 4.46Å; L496-I524 HydrophobicContact CD1-CG1 4.4Å; L496-I524 HydrophobicContact CD1-CG2 3.51Å
497	S	94.9	Very high	88.7	Confident	57 Å²	57	79.7 Å²	79.7	40%	0.399	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	160.9	175.6	62.1	0	0	0	0	109.5	V510 Y511	S497-V510 CarbonylContact O-C 3.58Å; S497-V510 WeakPolarHBondContact O-CA 3.27Å; S497-Y511 PolarHBondContact N-O 2.84Å; S497-Y511 PolarHBondContact O-N 3.15Å
498	Y	95.1	Very high	88.8	Confident	87 Å²	87	79 Å²	79	34%	0.341	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	157.6	173.2	73.9	-78.6	0	0	0	111.5	M487 T489 F491 V500 L508 F509	M487-Y498 HydrophobicContact CE-CE2 4.03Å; T489-Y498 HydrophobicContact CG2-CD1 4.31Å; T489-Y498 HydrophobicContact CG2-CE1 3.81Å; T489-Y498 VanDerWaalsContact OG1-CE1 3.3Å; T489-Y498 WeakPolarHBondContact OG1-CE1 3.39Å; F491-Y498 AromaticContact CE2-CD1 3.59Å; F491-Y498 HydrophobicContact CE2-CD1 3.59Å; F491-Y498 HydrophobicContact CE2-CE1 4.19Å; F491-Y498 AromaticContact CZ-CD1 3.6Å; F491-Y498 HydrophobicContact CZ-CD1 3.6Å; F491-Y498 HydrophobicContact CZ-CE1 4.33Å; F491-Y498 HydrophobicContact CZ-CG 4.16Å; Y498-V500 HydrophobicContact CD2-CG2 4.13Å; Y498-V500 HydrophobicContact CE2-CG2 4.07Å; Y498-L508 HydrophobicContact CD2-CB 4.46Å; Y498-L508 HydrophobicContact CD2-CD2 3.94Å; Y498-L508 HydrophobicContact CD2-CG 4.12Å; Y498-L508 HydrophobicContact CE2-CD2 4.23Å; Y498-F509 CarbonylContact C-O 3.52Å; Y498-F509 WeakPolarHBondContact CA-O 3.29Å; Y498-F509 WeakPolarHBondContact CB-O 3.4Å
499	K	93	Very high	88.8	Confident	116 Å²	116	72.7 Å²	72.7	50%	0.504	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	144.6	171.3	-65.6	179.5	-179.3	175.3	0	109.6	F509 Y511	K499-F509 PolarHBondContact N-O 2.99Å; K499-F509 PolarHBondContact O-N 2.75Å; K499-Y511 HydrophobicContact CB-CE2 4.2Å; K499-Y511 HydrophobicContact CD-CE2 4.14Å; K499-Y511 HydrophobicContact CG-CE2 4.17Å
500	V	87.9	Confident	88.8	Confident	59 Å²	59	70.7 Å²	70.7	36%	0.358	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	128.3	166.5	-179.9	0	0	0	0	106.1	M487 Y498 T505 L508	M487-V500 HydrophobicContact CE-CG2 4.01Å; Y498-V500 HydrophobicContact CD2-CG2 4.13Å; Y498-V500 HydrophobicContact CE2-CG2 4.07Å; V500-T505 WeakPolarHBondContact CG1-O 3.13Å; V500-L508 HydrophobicContact CG2-CD1 4.49Å; V500-L508 HydrophobicContact CG2-CG 4.01Å
501	Y	78.3	Confident	88.7	Confident	106 Å²	106	64.7 Å²	64.7	42%	0.416	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	140.4	-178.8	-64.8	-71.8	0	0	0	110.5	N503 N504 T505 F509 Y511	Y501-N503 PolarHBondContact O-N 3.49Å; Y501-N503 VanDerWaalsContact O-N 3.14Å; Y501-N504 CarbonylContact O-C 3.52Å; Y501-N504 PolarHBondContact O-N 3.35Å; Y501-T505 PolarHBondContact O-N 2.94Å; Y501-F509 AromaticContact CD2-CD2 3.45Å; Y501-F509 HydrophobicContact CD2-CD2 3.45Å; Y501-F509 VanDerWaalsContact CD2-CD2 3.45Å; Y501-F509 AromaticContact CD2-CE2 3.42Å; Y501-F509 HydrophobicContact CD2-CE2 3.42Å; Y501-F509 VanDerWaalsContact CD2-CE2 3.42Å; Y501-F509 HydrophobicContact CD2-CG 4.25Å; Y501-F509 HydrophobicContact CD2-CZ 4.17Å; Y501-F509 HydrophobicContact CE2-CB 4.37Å; Y501-F509 HydrophobicContact CE2-CD1 4.36Å; Y501-F509 AromaticContact CE2-CD2 3.47Å; Y501-F509 HydrophobicContact CE2-CD2 3.47Å; Y501-F509 VanDerWaalsContact CE2-CD2 3.47Å; Y501-F509 AromaticContact CE2-CE2 3.79Å; Y501-F509 HydrophobicContact CE2-CE2 3.79Å; Y501-F509 AromaticContact CE2-CG 3.8Å; Y501-F509 HydrophobicContact CE2-CG 3.8Å; Y501-F509 HydrophobicContact CE2-CZ 4.33Å; Y501-Y511 PolarHBondContact OH-OH 3.1Å; Y501-Y511 VanDerWaalsContact OH-OH 3.11Å
502	E	66.2	Low	88.4	Confident	183 Å²	183	63.8 Å²	63.8	86%	0.855	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-35.7	-176.8	-66.9	-178.4	171.2	0	0	113.2	N504	E502-N504 VanDerWaalsContact C-N 3.27Å; E502-N504 PolarHBondContact O-N 2.71Å
503	N	63.9	Low	88.2	Confident	151 Å²	151	62 Å²	62	81%	0.807	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-12.6	-179	-69.2	-15.3	0	0	0	114	Y501	Y501-N503 PolarHBondContact O-N 3.49Å; Y501-N503 VanDerWaalsContact O-N 3.14Å
504	N	68.6	Low	87.9	Confident	27 Å²	27	61.2 Å²	61.2	14%	0.144	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	79.9	176	-166.4	-13.7	0	0	0	110.1	Y501 E502 N506 L507	Y501-N504 CarbonylContact O-C 3.52Å; Y501-N504 PolarHBondContact O-N 3.35Å; E502-N504 VanDerWaalsContact C-N 3.27Å; E502-N504 PolarHBondContact O-N 2.71Å; N504-N506 PolarHBondContact O-N 3.09Å; N504-N506 VanDerWaalsContact O-N 3.07Å; N504-N506 PolarHBondContact OD1-N 2.93Å; N504-L507 WeakPolarHBondContact ND2-CD1 3.19Å; N504-L507 WeakPolarHBondContact ND2-CG 3.27Å; N504-L507 PolarHBondContact O-N 2.96Å
505	T	77.3	Confident	87.5	Confident	77 Å²	77	57 Å²	57	47%	0.472	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	-13.2	-176.2	54.9	0	0	0	0	113.8	M479 V500 Y501	M479-T505 WeakPolarHBondContact CG-O 3.5Å; V500-T505 WeakPolarHBondContact CG1-O 3.13Å; Y501-T505 PolarHBondContact O-N 2.94Å
506	N	91.4	Very high	87	Confident	9 Å²	9	52.1 Å²	52.1	5%	0.048	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	4.9	-176.3	-62.2	-14	0	0	0	113.2	D94 F476 A477 M479 N504	D94-N506 PolarHBondContact O-ND2 2.88Å; F476-N506 CarbonylContact C-O 3.51Å; F476-N506 WeakPolarHBondContact CA-O 3.06Å; F476-N506 HydrophobicContact CD2-CB 3.98Å; F476-N506 WeakPolarHBondContact CD2-O 3.35Å; F476-N506 HydrophobicContact CE2-CB 3.57Å; F476-N506 HydrophobicContact CZ-CB 4.4Å; A477-N506 PolarHBondContact N-O 2.96Å; A477-N506 VanDerWaalsContact O-CA 3.22Å; A477-N506 WeakPolarHBondContact O-CA 3.45Å; A477-N506 WeakPolarHBondContact O-CB 3.36Å; M479-N506 PolarHBondContact N-OD1 3.46Å; N504-N506 PolarHBondContact O-N 3.09Å; N504-N506 VanDerWaalsContact O-N 3.07Å; N504-N506 PolarHBondContact OD1-N 2.93Å
507	L	93.3	Very high	86.1	Confident	16 Å²	16	52.5 Å²	52.5	8%	0.084	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	126.4	173.7	-71.2	-177.4	0	0	0	111.5	I475 F476 N504 F509	I475-L507 WeakPolarHBondContact O-CA 3.39Å; F476-L507 HydrophobicContact CB-CD2 3.98Å; F476-L507 HydrophobicContact CD2-CD2 4.27Å; N504-L507 WeakPolarHBondContact ND2-CD1 3.19Å; N504-L507 WeakPolarHBondContact ND2-CG 3.27Å; N504-L507 PolarHBondContact O-N 2.96Å; L507-F509 HydrophobicContact CB-CD2 4.37Å; L507-F509 HydrophobicContact CB-CE2 3.6Å; L507-F509 HydrophobicContact CB-CZ 4.03Å; L507-F509 HydrophobicContact CD1-CE2 4.34Å; L507-F509 HydrophobicContact CD1-CZ 3.94Å
508	L	94.8	Very high	84.9	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	122.4	167.7	-68.5	72.9	0	0	0	109	E474 I475 A477 M487 T489 Y498 V500 I528	E474-L508 WeakPolarHBondContact CA-O 3.37Å; I475-L508 HydrophobicContact CB-CB 4.38Å; I475-L508 PolarHBondContact N-O 3.32Å; I475-L508 PolarHBondContact O-N 3.21Å; A477-L508 HydrophobicContact CB-CD1 3.36Å; M487-L508 HydrophobicContact CE-CD1 3.64Å; M487-L508 HydrophobicContact CE-CD2 3.52Å; M487-L508 HydrophobicContact CE-CG 3.62Å; M487-L508 HydrophobicContact SD-CD1 3.97Å; M487-L508 HydrophobicContact SD-CD2 3.83Å; M487-L508 HydrophobicContact SD-CG 4.31Å; T489-L508 HydrophobicContact CG2-CD2 4.31Å; Y498-L508 HydrophobicContact CD2-CB 4.46Å; Y498-L508 HydrophobicContact CD2-CD2 3.94Å; Y498-L508 HydrophobicContact CD2-CG 4.12Å; Y498-L508 HydrophobicContact CE2-CD2 4.23Å; V500-L508 HydrophobicContact CG2-CD1 4.49Å; V500-L508 HydrophobicContact CG2-CG 4.01Å; L508-I528 HydrophobicContact CD2-CD1 3.77Å
509	F	95.8	Very high	83.8	Confident	30 Å²	30	57.6 Å²	57.6	13%	0.132	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	110.6	173.5	-63.7	-95.3	0	0	0	108	L471 E474 Y498 K499 Y501 L507 Y511	L471-F509 HydrophobicContact CD1-CB 3.82Å; L471-F509 HydrophobicContact CD1-CD1 3.97Å; L471-F509 HydrophobicContact CD1-CG 4.41Å; L471-F509 HydrophobicContact CD2-CD1 4.47Å; E474-F509 HydrophobicContact CG-CD1 3.88Å; E474-F509 HydrophobicContact CG-CE1 3.95Å; Y498-F509 CarbonylContact C-O 3.52Å; Y498-F509 WeakPolarHBondContact CA-O 3.29Å; Y498-F509 WeakPolarHBondContact CB-O 3.4Å; K499-F509 PolarHBondContact N-O 2.99Å; K499-F509 PolarHBondContact O-N 2.75Å; Y501-F509 AromaticContact CD2-CD2 3.45Å; Y501-F509 HydrophobicContact CD2-CD2 3.45Å; Y501-F509 VanDerWaalsContact CD2-CD2 3.45Å; Y501-F509 AromaticContact CD2-CE2 3.42Å; Y501-F509 HydrophobicContact CD2-CE2 3.42Å; Y501-F509 VanDerWaalsContact CD2-CE2 3.42Å; Y501-F509 HydrophobicContact CD2-CG 4.25Å; Y501-F509 HydrophobicContact CD2-CZ 4.17Å; Y501-F509 HydrophobicContact CE2-CB 4.37Å; Y501-F509 HydrophobicContact CE2-CD1 4.36Å; Y501-F509 AromaticContact CE2-CD2 3.47Å; Y501-F509 HydrophobicContact CE2-CD2 3.47Å; Y501-F509 VanDerWaalsContact CE2-CD2 3.47Å; Y501-F509 AromaticContact CE2-CE2 3.79Å; Y501-F509 HydrophobicContact CE2-CE2 3.79Å; Y501-F509 AromaticContact CE2-CG 3.8Å; Y501-F509 HydrophobicContact CE2-CG 3.8Å; Y501-F509 HydrophobicContact CE2-CZ 4.33Å; L507-F509 HydrophobicContact CB-CD2 4.37Å; L507-F509 HydrophobicContact CB-CE2 3.6Å; L507-F509 HydrophobicContact CB-CZ 4.03Å; L507-F509 HydrophobicContact CD1-CE2 4.34Å; L507-F509 HydrophobicContact CD1-CZ 3.94Å; F509-Y511 HydrophobicContact CB-CD2 4.49Å; F509-Y511 HydrophobicContact CB-CE2 3.53Å; F509-Y511 WeakPolarHBondContact O-CD2 3.46Å; F509-Y511 WeakPolarHBondContact O-CE2 3.46Å
510	V	96.4	Very high	82.9	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	128.1	-176.7	-175.7	0	0	0	0	109.5	V472 A473 I475 F491 L496 S497 I526	V472-V510 HydrophobicContact CG2-CB 4.29Å; V472-V510 HydrophobicContact CG2-CG1 3.98Å; V472-V510 WeakPolarHBondContact CG2-O 3.27Å; V472-V510 PolarHBondContact N-O 3.25Å; A473-V510 HydrophobicContact CB-CB 4.28Å; A473-V510 PolarHBondContact N-O 3.33Å; A473-V510 PolarHBondContact O-N 3.21Å; I475-V510 HydrophobicContact CD1-CG2 4.08Å; F491-V510 HydrophobicContact CE1-CG1 4.34Å; F491-V510 HydrophobicContact CE1-CG2 4.45Å; L496-V510 HydrophobicContact CB-CG1 4.43Å; L496-V510 HydrophobicContact CD1-CG1 4.43Å; S497-V510 CarbonylContact O-C 3.58Å; S497-V510 WeakPolarHBondContact O-CA 3.27Å; V510-I526 HydrophobicContact CB-CD1 4.44Å; V510-I526 HydrophobicContact CG1-CD1 4.15Å; V510-I526 HydrophobicContact CG2-CD1 4.16Å
511	Y	94.8	Very high	82.6	Confident	36 Å²	36	57.5 Å²	57.5	14%	0.141	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	136.7	-175.6	-60.9	-94.6	0	0	0	111.7	L470 L471 S497 K499 Y501 F509	L470-Y511 CarbonylContact O-C 3.52Å; L470-Y511 WeakPolarHBondContact O-CA 3.25Å; L471-Y511 HydrophobicContact CB-CD1 4.22Å; L471-Y511 HydrophobicContact CB-CE1 4.01Å; L471-Y511 HydrophobicContact CD1-CE1 4.1Å; L471-Y511 HydrophobicContact CD1-CE2 4.42Å; S497-Y511 PolarHBondContact N-O 2.84Å; S497-Y511 PolarHBondContact O-N 3.15Å; K499-Y511 HydrophobicContact CB-CE2 4.2Å; K499-Y511 HydrophobicContact CD-CE2 4.14Å; K499-Y511 HydrophobicContact CG-CE2 4.17Å; Y501-Y511 PolarHBondContact OH-OH 3.1Å; Y501-Y511 VanDerWaalsContact OH-OH 3.11Å; F509-Y511 HydrophobicContact CB-CD2 4.49Å; F509-Y511 HydrophobicContact CB-CE2 3.53Å; F509-Y511 WeakPolarHBondContact O-CD2 3.46Å; F509-Y511 WeakPolarHBondContact O-CE2 3.46Å
512	M	92.7	Very high	83	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.005	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	123.5	172.6	-175.3	168.4	61.5	0	0	110.7	A469 L470 V472 L496 L516 M517 I521 I524	A469-M512 CarbonylContact C-O 3.59Å; A469-M512 WeakPolarHBondContact CA-O 3.41Å; L470-M512 PolarHBondContact N-O 3.31Å; L470-M512 PolarHBondContact O-N 3.14Å; V472-M512 HydrophobicContact CG1-CB 3.6Å; V472-M512 HydrophobicContact CG1-CE 3.98Å; V472-M512 HydrophobicContact CG2-CB 4.33Å; L496-M512 HydrophobicContact CD2-CB 3.59Å; L496-M512 HydrophobicContact CD2-CG 3.77Å; L496-M512 HydrophobicContact CD2-SD 4.46Å; M512-L516 HydrophobicContact CG-CB 4.34Å; M512-L516 HydrophobicContact CG-CD2 4.1Å; M512-M517 HydrophobicContact CE-CE 3.35Å; M512-M517 HydrophobicContact CE-CG 3.77Å; M512-M517 HydrophobicContact CE-SD 3.35Å; M512-M517 WeakPolarHBondContact CE-SD 3.18Å; M512-I521 HydrophobicContact CG-CD1 4.44Å; M512-I521 HydrophobicContact SD-CD1 3.3Å; M512-I521 WeakPolarHBondContact SD-CD1 3.33Å; M512-I524 HydrophobicContact SD-CD1 4Å
513	P	91.4	Very high	84.4	Confident	27 Å²	27	54.3 Å²	54.3	18%	0.175	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	140.9	176.8	27.8	-33	0	0	0	110.7	Q495 T515 L516	Q495-P513 HydrophobicContact CB-CG 4.12Å; Q495-P513 WeakPolarHBondContact O-CD 3.11Å; Q495-P513 WeakPolarHBondContact O-CG 3.45Å; P513-T515 PolarHBondContact O-N 2.85Å; P513-T515 VanDerWaalsContact O-N 3.13Å; P513-L516 HydrophobicContact CG-CB 4.1Å; P513-L516 HydrophobicContact CG-CD2 4.39Å; P513-L516 WeakPolarHBondContact O-CB 3.37Å; P513-L516 PolarHBondContact O-N 3.17Å
514	C	87.7	Confident	85.9	Confident	4 Å²	4	47.1 Å²	47.1	3%	0.027	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-17.9	-176.3	-68.6	0	0	0	0	114.6	C463 N465 S468 L516	C463-C514 HydrophobicContact CB-CB 3.45Å; C463-C514 VanDerWaalsContact CB-CB 3.45Å; C463-C514 WeakPolarHBondContact CB-SG 3.09Å; C463-C514 WeakPolarHBondContact SG-CB 3.31Å; C463-C514 CovalentContact SG-SG 2Å; C463-C514 PolarHBondContact SG-SG 2.88Å; N465-C514 WeakPolarHBondContact O-CB 3.39Å; N465-C514 PolarHBondContact O-SG 3.32Å; S468-C514 WeakPolarHBondContact O-CB 3.17Å; S468-C514 PolarHBondContact O-N 2.77Å; S468-C514 VanDerWaalsContact O-N 3.1Å; S468-C514 PolarHBondContact O-SG 2.72Å; S468-C514 PolarHBondContact OG-SG 3.07Å; C514-L516 PolarHBondContact O-N 2.8Å
515	T	85.3	Confident	87.3	Confident	85 Å²	85	48.1 Å²	48.1	52%	0.521	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-31	170.6	49.3	0	0	0	0	112.6	V466 P513	V466-T515 HydrophobicContact CG1-CG2 3.78Å; P513-T515 PolarHBondContact O-N 2.85Å; P513-T515 VanDerWaalsContact O-N 3.13Å
516	L	83.8	Confident	88.3	Confident	14 Å²	14	44.5 Å²	44.5	7%	0.073	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-26.6	-177.3	-159	65.3	0	0	0	112.4	P493 Q495 M512 P513 C514 K518 T519 I521	P493-L516 HydrophobicContact CB-CD1 4.39Å; P493-L516 HydrophobicContact CB-CD2 3.86Å; P493-L516 HydrophobicContact CG-CD1 4.44Å; P493-L516 HydrophobicContact CG-CD2 3.21Å; P493-L516 HydrophobicContact CG-CG 4.1Å; Q495-L516 HydrophobicContact CB-CD1 4.41Å; Q495-L516 HydrophobicContact CB-CD2 3.96Å; Q495-L516 HydrophobicContact CG-CD1 4.37Å; M512-L516 HydrophobicContact CG-CB 4.34Å; M512-L516 HydrophobicContact CG-CD2 4.1Å; P513-L516 HydrophobicContact CG-CB 4.1Å; P513-L516 HydrophobicContact CG-CD2 4.39Å; P513-L516 WeakPolarHBondContact O-CB 3.37Å; P513-L516 PolarHBondContact O-N 3.17Å; C514-L516 PolarHBondContact O-N 2.8Å; L516-K518 PolarHBondContact O-N 3.01Å; L516-T519 PolarHBondContact O-N 3.12Å; L516-T519 PolarHBondContact O-OG1 3.19Å; L516-I521 HydrophobicContact CB-CD1 4.18Å; L516-I521 HydrophobicContact CD2-CD1 3.77Å; L516-I521 HydrophobicContact CG-CD1 3.47Å; L516-I521 VanDerWaalsContact CG-CD1 3.47Å; L516-I521 HydrophobicContact CG-CG1 4.17Å
517	M	74.6	Confident	88.7	Confident	17 Å²	17	45.3 Å²	45.3	8%	0.084	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-54.3	-28.9	173.4	-78.2	-86	-159.2	0	0	113.2	Q460 C463 L470 M512 T519	Q460-M517 HydrophobicContact CB-CE 3.81Å; Q460-M517 HydrophobicContact CG-CE 3.61Å; Q460-M517 WeakPolarHBondContact O-CE 3.08Å; C463-M517 HydrophobicContact CB-CG 4.31Å; L470-M517 HydrophobicContact CB-CE 4.44Å; L470-M517 HydrophobicContact CD1-CE 3.27Å; L470-M517 HydrophobicContact CG-CE 4.46Å; M512-M517 HydrophobicContact CE-CE 3.35Å; M512-M517 HydrophobicContact CE-CG 3.77Å; M512-M517 HydrophobicContact CE-SD 3.35Å; M512-M517 WeakPolarHBondContact CE-SD 3.18Å; M517-T519 PolarHBondContact O-N 3.37Å
518	K	69.7	Low	88.9	Confident	159 Å²	159	44.6 Å²	44.6	69%	0.691	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-74.6	-10.3	-179.3	-64.5	-174.6	179.6	-178.2	0	113.9	L516	L516-K518 PolarHBondContact O-N 3.01Å
519	T	72.9	Confident	89	Confident	91 Å²	91	48 Å²	48	56%	0.558	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-96.6	14.7	-171.3	65.3	0	0	0	0	114.3	L516 M517 I521	L516-T519 PolarHBondContact O-N 3.12Å; L516-T519 PolarHBondContact O-OG1 3.19Å; M517-T519 PolarHBondContact O-N 3.37Å; T519-I521 PolarHBondContact O-N 3.03Å
520	N	74.6	Confident	89	Confident	137 Å²	137	47.9 Å²	47.9	73%	0.733	25%	0.248	S	C	*	.			trans	47.4	56.6	-176.5	-76.7	-12.3	0	0	0	112.2	E522	N520-E522 PolarHBondContact O-N 2.85Å
521	I	80.5	Confident	89	Confident	36 Å²	36	52.4 Å²	52.4	19%	0.185	27%	0.268	C	S	.	.			trans	-62.9	121.3	174.7	-53.8	164.3	0	0	0	108.5	P458 P493 M512 L516 T519 L523 I524	P458-I521 HydrophobicContact CG-CB 4.46Å; P458-I521 HydrophobicContact CG-CG2 4.42Å; P493-I521 HydrophobicContact CG-CD1 4.17Å; M512-I521 HydrophobicContact CG-CD1 4.44Å; M512-I521 HydrophobicContact SD-CD1 3.3Å; M512-I521 WeakPolarHBondContact SD-CD1 3.33Å; L516-I521 HydrophobicContact CB-CD1 4.18Å; L516-I521 HydrophobicContact CD2-CD1 3.77Å; L516-I521 HydrophobicContact CG-CD1 3.47Å; L516-I521 VanDerWaalsContact CG-CD1 3.47Å; L516-I521 HydrophobicContact CG-CG1 4.17Å; T519-I521 PolarHBondContact O-N 3.03Å; I521-L523 VanDerWaalsContact CG2-O 3.26Å; I521-L523 WeakPolarHBondContact CG2-O 3.3Å; I521-I524 HydrophobicContact CG2-CG1 4.2Å
522	E	87.3	Confident	88.5	Confident	163 Å²	163	59.1 Å²	59.1	76%	0.762	30%	0.3	S	S	*	.			trans	-90.8	-23.2	178.6	-62.8	-174	162.4	0	0	112.3	I457 N520	I457-E522 WeakPolarHBondContact CG1-O 3.28Å; N520-E522 PolarHBondContact O-N 2.85Å
523	L	94.6	Very high	87.5	Confident	60 Å²	60	67.8 Å²	67.8	31%	0.314	35%	0.347	S	S	.	.			trans	-148.7	135	-176.3	-165.8	68.6	0	0	0	111.3	V441 A455 I457 I521 E525	V441-L523 HydrophobicContact CB-CD1 4.37Å; V441-L523 HydrophobicContact CG2-CD1 4Å; A455-L523 HydrophobicContact CB-CD1 4.2Å; I457-L523 HydrophobicContact CG1-CD1 4.43Å; I521-L523 VanDerWaalsContact CG2-O 3.26Å; I521-L523 WeakPolarHBondContact CG2-O 3.3Å; L523-E525 HydrophobicContact CD2-CG 3.85Å; L523-E525 HydrophobicContact CG-CG 4.07Å
524	I	96.1	Very high	87.4	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	131.8	165	-70	173	0	0	0	107.8	A455 F456 P458 V472 I492 L496 M512 I521 I526	A455-I524 CarbonylContact C-O 3.37Å; A455-I524 WeakPolarHBondContact CA-O 3.03Å; F456-I524 HydrophobicContact CD1-CB 4.24Å; F456-I524 HydrophobicContact CD1-CG2 4.16Å; F456-I524 HydrophobicContact CD2-CB 4.48Å; F456-I524 HydrophobicContact CE1-CB 3.86Å; F456-I524 HydrophobicContact CE1-CG2 3.44Å; F456-I524 VanDerWaalsContact CE1-CG2 3.44Å; F456-I524 HydrophobicContact CE2-CB 4.14Å; F456-I524 HydrophobicContact CE2-CD1 3.75Å; F456-I524 HydrophobicContact CE2-CG1 4.46Å; F456-I524 HydrophobicContact CE2-CG2 4.42Å; F456-I524 HydrophobicContact CZ-CB 3.82Å; F456-I524 HydrophobicContact CZ-CD1 3.73Å; F456-I524 HydrophobicContact CZ-CG1 4.36Å; F456-I524 HydrophobicContact CZ-CG2 3.61Å; F456-I524 PolarHBondContact N-O 3.42Å; F456-I524 PolarHBondContact O-N 3.27Å; P458-I524 HydrophobicContact CB-CD1 4.03Å; P458-I524 HydrophobicContact CG-CD1 4.06Å; P458-I524 HydrophobicContact CG-CG1 4.34Å; V472-I524 HydrophobicContact CG2-CD1 4.45Å; I492-I524 CarbonylContact O-C 3.56Å; I492-I524 VanDerWaalsContact O-CA 3.29Å; I492-I524 WeakPolarHBondContact O-CA 3.48Å; L496-I524 HydrophobicContact CD1-CG1 4.4Å; L496-I524 HydrophobicContact CD1-CG2 3.51Å; M512-I524 HydrophobicContact SD-CD1 4Å; I521-I524 HydrophobicContact CG2-CG1 4.2Å; I524-I526 HydrophobicContact CG2-CD1 4.31Å; I524-I526 HydrophobicContact CG2-CG1 4.09Å
525	E	98.3	Very high	87.3	Confident	48 Å²	48	73.3 Å²	73.3	22%	0.224	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	134.6	173.9	-50.5	177.1	-121.7	0	0	110.1	Y453 Y454 A455 F491 I492 L523	Y453-E525 HydrophobicContact CE2-CB 4.16Å; Y453-E525 WeakPolarHBondContact CE2-OE2 3.5Å; Y453-E525 PolarHBondContact OH-OE2 2.93Å; Y454-E525 CarbonylContact O-C 3.57Å; Y454-E525 WeakPolarHBondContact O-CA 3.49Å; A455-E525 HydrophobicContact CB-CG 4.19Å; F491-E525 WeakPolarHBondContact CA-O 3.24Å; I492-E525 HydrophobicContact CB-CB 4.04Å; I492-E525 HydrophobicContact CB-CG 4.35Å; I492-E525 HydrophobicContact CD1-CB 4.48Å; I492-E525 PolarHBondContact N-O 3.32Å; I492-E525 PolarHBondContact O-N 3.38Å; L523-E525 HydrophobicContact CD2-CG 3.85Å; L523-E525 HydrophobicContact CG-CG 4.07Å
526	I	98.5	Very high	87.4	Confident	1 Å²	1	72.7 Å²	72.7	1%	0.005	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	120.9	-179.1	-59.9	170.4	0	0	0	107.7	F452 Y453 Y454 F456 A473 I475 F491 V510 I524 I528	F452-I526 HydrophobicContact CE1-CG2 4.25Å; Y453-I526 WeakPolarHBondContact CA-O 3.47Å; Y454-I526 PolarHBondContact N-O 2.82Å; Y454-I526 PolarHBondContact O-N 3.35Å; F456-I526 HydrophobicContact CE1-CD1 3.9Å; A473-I526 HydrophobicContact CB-CD1 4.27Å; I475-I526 HydrophobicContact CD1-CB 4.33Å; I475-I526 HydrophobicContact CD1-CD1 3.64Å; I475-I526 HydrophobicContact CD1-CG2 3.69Å; F491-I526 HydrophobicContact CD1-CB 4.29Å; F491-I526 HydrophobicContact CD1-CG1 3.92Å; F491-I526 HydrophobicContact CD1-CG2 4.08Å; F491-I526 HydrophobicContact CE1-CB 4.37Å; F491-I526 HydrophobicContact CE1-CG1 4.13Å; F491-I526 HydrophobicContact CE1-CG2 3.71Å; V510-I526 HydrophobicContact CB-CD1 4.44Å; V510-I526 HydrophobicContact CG1-CD1 4.15Å; V510-I526 HydrophobicContact CG2-CD1 4.16Å; I524-I526 HydrophobicContact CG2-CD1 4.31Å; I524-I526 HydrophobicContact CG2-CG1 4.09Å; I526-I528 HydrophobicContact CG2-CG1 4.24Å
527	T	98.6	Very high	87.7	Confident	26 Å²	26	76.1 Å²	76.1	16%	0.16	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	131.2	171.5	-43.5	0	0	0	0	109.7	F452 T489 R490 I529	F452-T527 CarbonylContact O-C 3.44Å; F452-T527 VanDerWaalsContact O-CA 3.28Å; F452-T527 WeakPolarHBondContact O-CA 3.41Å; F452-T527 WeakPolarHBondContact O-CG2 3.46Å; T489-T527 CarbonylContact C-O 3.45Å; T489-T527 VanDerWaalsContact CA-O 3.31Å; T489-T527 WeakPolarHBondContact CA-O 3.26Å; R490-T527 PolarHBondContact N-O 3.12Å; R490-T527 PolarHBondContact O-N 3.2Å; T527-I529 HydrophobicContact CG2-CD1 4.16Å; T527-I529 HydrophobicContact CG2-CG1 3.92Å
528	I	98.2	Very high	88.5	Confident	0 Å²	0	79.8 Å²	79.8	0%	0	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	126.6	173.9	-54.7	172.8	0	0	0	108.1	T431 F452 I475 Y483 M487 T489 L508 I526	T431-I528 HydrophobicContact CG2-CD1 4.1Å; F452-I528 HydrophobicContact CB-CB 4.16Å; F452-I528 HydrophobicContact CD1-CB 4.12Å; F452-I528 HydrophobicContact CD1-CD1 3.79Å; F452-I528 HydrophobicContact CD1-CG1 3.86Å; F452-I528 HydrophobicContact CE1-CD1 4.17Å; F452-I528 PolarHBondContact N-O 3.22Å; F452-I528 PolarHBondContact O-N 2.61Å; I475-I528 HydrophobicContact CG2-CD1 3.89Å; Y483-I528 HydrophobicContact CD1-CG2 4.4Å; Y483-I528 HydrophobicContact CE1-CG2 3.77Å; M487-I528 HydrophobicContact CB-CG2 3.75Å; M487-I528 HydrophobicContact CG-CG2 4.2Å; M487-I528 HydrophobicContact SD-CG2 3.87Å; T489-I528 HydrophobicContact CG2-CG1 4.35Å; L508-I528 HydrophobicContact CD2-CD1 3.77Å; I526-I528 HydrophobicContact CG2-CG1 4.24Å
529	I	97.6	Very high	89.7	Confident	72 Å²	72	74.5 Å²	74.5	37%	0.369	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	133.4	-174.6	-54.6	172.5	0	0	0	108.6	V451 M487 R488 T527	V451-I529 HydrophobicContact CG2-CG2 4.38Å; M487-I529 CarbonylContact C-O 3.5Å; M487-I529 WeakPolarHBondContact CA-O 3.17Å; R488-I529 PolarHBondContact N-O 2.84Å; R488-I529 PolarHBondContact O-N 2.99Å; T527-I529 HydrophobicContact CG2-CD1 4.16Å; T527-I529 HydrophobicContact CG2-CG1 3.92Å
530	P	96.3	Very high	90.9	Very high	29 Å²	29	73.4 Å²	73.4	19%	0.188	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	140.8	173.4	-22.9	34.9	0	0	0	112.9	S449 H482 Y483	S449-P530 VanDerWaalsContact O-CG 3.26Å; S449-P530 WeakPolarHBondContact O-CG 3.34Å; H482-P530 WeakPolarHBondContact O-CG 3.46Å; Y483-P530 HydrophobicContact CD1-CB 4.03Å; Y483-P530 HydrophobicContact CD1-CG 3.71Å; Y483-P530 HydrophobicContact CE1-CB 4.46Å; Y483-P530 HydrophobicContact CE1-CG 3.68Å
531	K	94.4	Very high	92.2	Very high	95 Å²	95	68.5 Å²	68.5	41%	0.413	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-72.5	129	167.7	-74.6	178.7	176.7	175.2	0	108.8	H485 G486 M487 R488	H485-K531 HydrophobicContact CB-CB 4.45Å; H485-K531 WeakPolarHBondContact O-CD 3.07Å; G486-K531 PolarHBondContact O-N 2.81Å; M487-K531 VanDerWaalsContact O-CE 3.28Å; M487-K531 WeakPolarHBondContact O-CE 3.19Å; R488-K531 HydrophobicContact CG-CG 3.77Å
532	Q	85.3	Confident	93.2	Very high	176 Å²	176	71.2 Å²	71.2	82%	0.822	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-75.1	148.1	168.1	-64.6	-177	-15.4	0	0	109.7
533	N	72.7	Confident	93.7	Very high	184 Å²	184	62.8 Å²	62.8	98%	0.984	32%	0.316	S	S	*	.			trans	-62.3	0	172.2	-84	-32.7	0	0	0	112.9	H485	H485-N533 PolarHBondContact CD2-OD1 2.88Å; H485-N533 VanDerWaalsContact CD2-OD1 3.26Å; H485-N533 PolarHBondContact CE1-ND2 3.41Å; H485-N533 PolarHBondContact CE1-OD1 3.33Å; H485-N533 PolarHBondContact ND1-OD1 3.24Å; H485-N533 PolarHBondContact NE2-ND2 3.43Å; H485-N533 PolarHBondContact NE2-OD1 3.46Å

Retrieved 533 of 533 residues in 345 ms (Link to these results)

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