A0A087YCF2_POEFO Loading...

Glycoprotein endo-alpha-1,2-mannosidase

AlphaFold DB , UniProt , Accession A0A087YCF2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 443 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	53.3	Low	51.9	Low	216 Å²	216	139.9 Å²	139.9	100%	1.064	70%	0.701	S	S	*	*				0	-3.6	0	-83.3	-176.2	-89.7	0	0	115.6
2	A	49.1	Very low	52.8	Low	88 Å²	88	138.2 Å²	138.2	73%	0.727	69%	0.694	S	S	*	*			trans	-88.3	-22.8	-179.8	0	0	0	0	0	115.5
3	R	46.5	Very low	54.1	Low	230 Å²	230	133.8 Å²	133.8	87%	0.868	68%	0.679	S	S	*	*	H	α-helix	trans	-79.6	-15.7	-179.7	-79.6	-176.9	173.2	176.1	-2.2	115.1
4	F	41.6	Very low	55	Low	175 Å²	175	129.4 Å²	129.4	77%	0.768	67%	0.666	S	S	*	*	H	α-helix	trans	-85.5	-24.2	178.3	-122.8	-92.5	0	0	0	112.8
5	R	50.4	Low	55.9	Low	207 Å²	207	127.7 Å²	127.7	78%	0.781	66%	0.658	S	S	*	*	H	α-helix	trans	-81.8	-20.3	-178.8	-67	-172.4	176.2	-173.4	-1.4	114
6	L	48.8	Very low	56.7	Low	133 Å²	133	123.1 Å²	123.1	70%	0.696	65%	0.645	S	S	*	*	H	α-helix	trans	-79.3	-35.5	179.2	-150	78.7	0	0	0	112.5	V10	L6-V10 WeakPolarHBondContact O-CG2 3.28Å; L6-V10 PolarHBondContact O-N 2.74Å
7	K	48.1	Very low	57.3	Low	167 Å²	167	121.9 Å²	121.9	73%	0.726	64%	0.639	S	S	*	*	H	α-helix	trans	-73.2	-33.3	-179.6	-72.1	-172.9	174.3	-173.3	0	113.3	T11	K7-T11 PolarHBondContact O-N 2.91Å; K7-T11 PolarHBondContact O-OG1 3.41Å
8	S	53.3	Low	58.2	Low	62 Å²	62	120.6 Å²	120.6	43%	0.434	63%	0.632	S	S	.	*	H	α-helix	trans	-72.8	-29.6	175.9	-61.5	0	0	0	0	113.1	T11 L12	S8-T11 WeakPolarHBondContact CA-OG1 3.27Å; S8-T11 PolarHBondContact O-OG1 3.04Å; S8-T11 VanDerWaalsContact O-OG1 3.12Å; S8-L12 WeakPolarHBondContact O-CD1 3.39Å; S8-L12 WeakPolarHBondContact O-CG 3.4Å; S8-L12 PolarHBondContact O-N 2.94Å
9	C	53.1	Low	58.6	Low	78 Å²	78	119.7 Å²	119.7	53%	0.527	63%	0.627	S	S	.	*	H	α-helix	trans	-74.1	-40.3	179.2	-150.3	0	0	0	0	111.7	L12 V13	C9-L12 PolarHBondContact O-N 3.36Å; C9-V13 WeakPolarHBondContact O-CG2 3.46Å; C9-V13 PolarHBondContact O-N 3.25Å; C9-V13 VanDerWaalsContact O-N 3.14Å
10	V	63.1	Low	59.1	Low	92 Å²	92	117.9 Å²	117.9	56%	0.558	62%	0.621	S	S	*	*	H	α-helix	trans	-66.5	-39.8	177.4	176.3	0	0	0	0	111.6	L6 V13 S14	L6-V10 WeakPolarHBondContact O-CG2 3.28Å; L6-V10 PolarHBondContact O-N 2.74Å; V10-V13 PolarHBondContact O-N 3.36Å; V10-S14 PolarHBondContact O-N 3.25Å; V10-S14 PolarHBondContact O-OG 3.31Å; V10-S14 VanDerWaalsContact O-OG 3.06Å
11	T	63.9	Low	59.6	Low	91 Å²	91	116.9 Å²	116.9	56%	0.558	62%	0.615	S	S	*	*	H	α-helix	trans	-68.7	-35	178.2	37.4	0	0	0	0	113	K7 S8 L15	K7-T11 PolarHBondContact O-N 2.91Å; K7-T11 PolarHBondContact O-OG1 3.41Å; S8-T11 WeakPolarHBondContact CA-OG1 3.27Å; S8-T11 PolarHBondContact O-OG1 3.04Å; S8-T11 VanDerWaalsContact O-OG1 3.12Å; T11-L15 WeakPolarHBondContact O-CB 3.41Å; T11-L15 PolarHBondContact O-N 2.68Å; T11-L15 VanDerWaalsContact O-N 3.07Å
12	L	62.6	Low	60.4	Low	119 Å²	119	110.3 Å²	110.3	62%	0.623	58%	0.584	S	S	*	*	H	α-helix	trans	-68.3	-39	174.2	-80.7	162.7	0	0	0	112.6	S8 C9 L15 A16	S8-L12 WeakPolarHBondContact O-CD1 3.39Å; S8-L12 WeakPolarHBondContact O-CG 3.4Å; S8-L12 PolarHBondContact O-N 2.94Å; C9-L12 PolarHBondContact O-N 3.36Å; L12-L15 PolarHBondContact O-N 2.7Å; L12-A16 PolarHBondContact O-N 2.94Å
13	V	69.8	Low	60.7	Low	82 Å²	82	110.2 Å²	110.2	50%	0.497	57%	0.574	S	S	.	*	H	α-helix	trans	-68.5	-40.8	176.8	173.1	0	0	0	0	111.2	C9 V10 L15 A16 L17	C9-V13 WeakPolarHBondContact O-CG2 3.46Å; C9-V13 PolarHBondContact O-N 3.25Å; C9-V13 VanDerWaalsContact O-N 3.14Å; V10-V13 PolarHBondContact O-N 3.36Å; V13-L15 PolarHBondContact O-N 3.06Å; V13-A16 PolarHBondContact O-N 2.69Å; V13-L17 HydrophobicContact CG1-CD1 4.07Å; V13-L17 PolarHBondContact O-N 3.06Å
14	S	66	Low	61.2	Low	71 Å²	71	104.7 Å²	104.7	50%	0.497	56%	0.561	S	S	.	*	H	α-helix	trans	-64.4	-37.6	175.1	-60	0	0	0	0	112.8	V10 L18	V10-S14 PolarHBondContact O-N 3.25Å; V10-S14 PolarHBondContact O-OG 3.31Å; V10-S14 VanDerWaalsContact O-OG 3.06Å; S14-L18 WeakPolarHBondContact O-CB 3.35Å; S14-L18 PolarHBondContact O-N 3.04Å
15	L	69.4	Low	62.2	Low	104 Å²	104	100.2 Å²	100.2	55%	0.545	55%	0.548	S	S	.	.	H	α-helix	trans	-68.4	-39.8	176.9	-161.7	82.5	0	0	0	111.8	T11 L12 V13 L18 L19	T11-L15 WeakPolarHBondContact O-CB 3.41Å; T11-L15 PolarHBondContact O-N 2.68Å; T11-L15 VanDerWaalsContact O-N 3.07Å; L12-L15 PolarHBondContact O-N 2.7Å; V13-L15 PolarHBondContact O-N 3.06Å; L15-L18 PolarHBondContact O-N 3.08Å; L15-L19 WeakPolarHBondContact O-CG 3.5Å; L15-L19 PolarHBondContact O-N 3.08Å
16	A	68.9	Low	62.1	Low	55 Å²	55	95.7 Å²	95.7	46%	0.455	54%	0.539	S	S	.	.	H	α-helix	trans	-65	-41.3	176.1	0	0	0	0	0	112.1	L12 V13 L19 V20	L12-A16 PolarHBondContact O-N 2.94Å; V13-A16 PolarHBondContact O-N 2.69Å; A16-L19 PolarHBondContact O-N 3.02Å; A16-V20 WeakPolarHBondContact O-CG2 3.41Å; A16-V20 PolarHBondContact O-N 2.93Å; A16-V20 VanDerWaalsContact O-N 3.11Å
17	L	67.1	Low	61.9	Low	103 Å²	103	98 Å²	98	54%	0.539	54%	0.543	S	S	.	.	H	α-helix	trans	-64	-41.2	174.7	-98.5	145.5	0	0	0	112.3	V13 L19 V20 I21	V13-L17 HydrophobicContact CG1-CD1 4.07Å; V13-L17 PolarHBondContact O-N 3.06Å; L17-L19 PolarHBondContact O-N 3.13Å; L17-V20 PolarHBondContact O-N 3.3Å; L17-I21 VanDerWaalsContact O-CG1 3.28Å; L17-I21 WeakPolarHBondContact O-CG1 3.13Å; L17-I21 PolarHBondContact O-N 3.47Å
18	L	72.3	Confident	62.1	Low	98 Å²	98	94 Å²	94	51%	0.513	54%	0.541	S	S	.	.	H	α-helix	trans	-62.9	-41.6	176.4	-163.9	85.9	0	0	0	111.7	S14 L15 I21 I22	S14-L18 WeakPolarHBondContact O-CB 3.35Å; S14-L18 PolarHBondContact O-N 3.04Å; L15-L18 PolarHBondContact O-N 3.08Å; L18-I21 PolarHBondContact O-N 3.49Å; L18-I22 HydrophobicContact CD2-CD1 4.19Å; L18-I22 HydrophobicContact CG-CD1 4.06Å; L18-I22 VanDerWaalsContact O-CG1 3.27Å; L18-I22 WeakPolarHBondContact O-CG1 3.32Å; L18-I22 PolarHBondContact O-N 3.41Å
19	L	66.2	Low	61.7	Low	104 Å²	104	97.1 Å²	97.1	55%	0.545	55%	0.552	S	S	.	*	H	α-helix	trans	-66.6	-35.8	178.6	-73.4	168.2	0	0	0	112.5	L15 A16 L17 T23	L15-L19 WeakPolarHBondContact O-CG 3.5Å; L15-L19 PolarHBondContact O-N 3.08Å; A16-L19 PolarHBondContact O-N 3.02Å; L17-L19 PolarHBondContact O-N 3.13Å; L19-T23 PolarHBondContact O-N 2.99Å; L19-T23 PolarHBondContact O-OG1 3.11Å
20	V	68.8	Low	61	Low	83 Å²	83	97.1 Å²	97.1	50%	0.503	56%	0.558	S	S	.	*	H	α-helix	trans	-67.6	-41.5	173.9	171.8	0	0	0	0	111.2	A16 L17 T23 L24	A16-V20 WeakPolarHBondContact O-CG2 3.41Å; A16-V20 PolarHBondContact O-N 2.93Å; A16-V20 VanDerWaalsContact O-N 3.11Å; L17-V20 PolarHBondContact O-N 3.3Å; V20-T23 WeakPolarHBondContact CA-OG1 3.35Å; V20-T23 PolarHBondContact O-N 2.85Å; V20-T23 PolarHBondContact O-OG1 3Å; V20-T23 VanDerWaalsContact O-OG1 3.14Å; V20-L24 HydrophobicContact CG1-CD1 3.99Å; V20-L24 VanDerWaalsContact O-CG 3.32Å; V20-L24 WeakPolarHBondContact O-CG 3.32Å; V20-L24 PolarHBondContact O-N 3.17Å
21	I	70.5	Confident	59.7	Low	96 Å²	96	98.3 Å²	98.3	49%	0.492	57%	0.568	S	S	.	*	H	α-helix	trans	-64.4	-44.2	176.7	-67.8	165.2	0	0	0	110.6	L17 L18 T23 L24 V25	L17-I21 VanDerWaalsContact O-CG1 3.28Å; L17-I21 WeakPolarHBondContact O-CG1 3.13Å; L17-I21 PolarHBondContact O-N 3.47Å; L18-I21 PolarHBondContact O-N 3.49Å; I21-T23 PolarHBondContact O-N 2.86Å; I21-L24 PolarHBondContact O-N 3.15Å; I21-V25 HydrophobicContact CG2-CG2 4.44Å; I21-V25 VanDerWaalsContact O-CG2 3.3Å; I21-V25 WeakPolarHBondContact O-CG2 3.4Å; I21-V25 PolarHBondContact O-N 3.14Å
22	I	68.3	Low	58.3	Low	79 Å²	79	103.4 Å²	103.4	41%	0.405	59%	0.585	S	S	.	*	H	α-helix	trans	-63.1	-40.6	177.9	-69.3	166.4	0	0	0	111.3	L18 V25 L26	L18-I22 HydrophobicContact CD2-CD1 4.19Å; L18-I22 HydrophobicContact CG-CD1 4.06Å; L18-I22 VanDerWaalsContact O-CG1 3.27Å; L18-I22 WeakPolarHBondContact O-CG1 3.32Å; L18-I22 PolarHBondContact O-N 3.41Å; I22-V25 PolarHBondContact O-N 2.84Å; I22-L26 HydrophobicContact CG2-CD1 3.74Å; I22-L26 HydrophobicContact CG2-CG 4.37Å; I22-L26 WeakPolarHBondContact O-CB 3.48Å; I22-L26 VanDerWaalsContact O-CG 3.28Å; I22-L26 WeakPolarHBondContact O-CG 3.47Å; I22-L26 PolarHBondContact O-N 3.03Å
23	T	56.9	Low	56.8	Low	86 Å²	86	105.4 Å²	105.4	53%	0.528	60%	0.596	S	S	.	*	H	α-helix	trans	-69.5	-32.5	177.7	28.6	0	0	0	0	113.2	L19 V20 I21 K27	L19-T23 PolarHBondContact O-N 2.99Å; L19-T23 PolarHBondContact O-OG1 3.11Å; V20-T23 WeakPolarHBondContact CA-OG1 3.35Å; V20-T23 PolarHBondContact O-N 2.85Å; V20-T23 PolarHBondContact O-OG1 3Å; V20-T23 VanDerWaalsContact O-OG1 3.14Å; I21-T23 PolarHBondContact O-N 2.86Å; T23-K27 PolarHBondContact O-N 2.81Å; T23-K27 VanDerWaalsContact O-N 3.15Å
24	L	55.4	Low	55	Low	113 Å²	113	106.6 Å²	106.6	59%	0.592	61%	0.609	S	S	*	*	H	α-helix	trans	-71	-39.6	173.9	-72.3	169.3	0	0	0	112.1	V20 I21 K27 A28	V20-L24 HydrophobicContact CG1-CD1 3.99Å; V20-L24 VanDerWaalsContact O-CG 3.32Å; V20-L24 WeakPolarHBondContact O-CG 3.32Å; V20-L24 PolarHBondContact O-N 3.17Å; I21-L24 PolarHBondContact O-N 3.15Å; L24-K27 PolarHBondContact O-N 3.21Å; L24-A28 PolarHBondContact O-N 3.47Å
25	V	63.1	Low	53.5	Low	81 Å²	81	109.5 Å²	109.5	49%	0.491	63%	0.626	S	S	.	*	H	α-helix	trans	-67.4	-40.8	175.7	172.6	0	0	0	0	111.4	I21 I22 K27 A28 L29	I21-V25 HydrophobicContact CG2-CG2 4.44Å; I21-V25 VanDerWaalsContact O-CG2 3.3Å; I21-V25 WeakPolarHBondContact O-CG2 3.4Å; I21-V25 PolarHBondContact O-N 3.14Å; I22-V25 PolarHBondContact O-N 2.84Å; V25-K27 VanDerWaalsContact C-N 3.32Å; V25-K27 PolarHBondContact O-N 3.33Å; V25-A28 PolarHBondContact O-N 3.43Å; V25-L29 HydrophobicContact CG1-CD1 3.96Å; V25-L29 WeakPolarHBondContact O-CG 3.11Å
26	L	49.3	Very low	51.5	Low	113 Å²	113	111.6 Å²	111.6	59%	0.592	64%	0.636	S	S	*	*	H	α-helix	trans	-67.4	-30.3	176.8	-74	168.1	0	0	0	112.9	I22 A28	I22-L26 HydrophobicContact CG2-CD1 3.74Å; I22-L26 HydrophobicContact CG2-CG 4.37Å; I22-L26 WeakPolarHBondContact O-CB 3.48Å; I22-L26 VanDerWaalsContact O-CG 3.28Å; I22-L26 WeakPolarHBondContact O-CG 3.47Å; I22-L26 PolarHBondContact O-N 3.03Å; L26-A28 VanDerWaalsContact C-N 3.34Å
27	K	44.7	Very low	49.5	Very low	180 Å²	180	116.5 Å²	116.5	78%	0.783	66%	0.655	S	S	*	*	H	α-helix	trans	-72.3	-25.2	173.7	-108.6	-177.5	173.9	-176.2	0	113.6	T23 L24 V25 L29	T23-K27 PolarHBondContact O-N 2.81Å; T23-K27 VanDerWaalsContact O-N 3.15Å; L24-K27 PolarHBondContact O-N 3.21Å; V25-K27 VanDerWaalsContact C-N 3.32Å; V25-K27 PolarHBondContact O-N 3.33Å; K27-L29 VanDerWaalsContact C-N 3.32Å
28	A	51.5	Low	47.7	Very low	83 Å²	83	116.7 Å²	116.7	69%	0.686	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	-6	178.2	0	0	0	0	0	113.6	L24 V25 L26	L24-A28 PolarHBondContact O-N 3.47Å; V25-A28 PolarHBondContact O-N 3.43Å; L26-A28 VanDerWaalsContact C-N 3.34Å
29	L	44.7	Very low	46.2	Very low	129 Å²	129	117.9 Å²	117.9	68%	0.675	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.9	10.2	-173.5	-69.3	170.3	0	0	0	114.1	V25 K27	V25-L29 HydrophobicContact CG1-CD1 3.96Å; V25-L29 WeakPolarHBondContact O-CG 3.11Å; K27-L29 VanDerWaalsContact C-N 3.32Å
30	A	38.6	Very low	44.3	Very low	78 Å²	78	117.7 Å²	117.7	65%	0.645	69%	0.691	S	S	*	*			trans	-86.7	128.4	175.3	0	0	0	0	0	111
31	P	35.1	Very low	42.3	Very low	117 Å²	117	122.3 Å²	122.3	76%	0.76	71%	0.707	S	S	*	*			trans	-84.3	136.6	173.6	32.7	-29.1	0	0	0	110.3
32	E	35.3	Very low	40	Very low	198 Å²	198	122.8 Å²	122.8	93%	0.925	72%	0.715	S	S	*	*			trans	-106.7	123.9	165.1	-77.5	-156.8	163.9	0	0	110.7
33	D	31.8	Very low	38	Very low	160 Å²	160	128.4 Å²	128.4	86%	0.856	74%	0.736	S	S	*	*			trans	-76	155.5	174.9	-78.4	-45.3	0	0	0	112.7
34	S	30.9	Very low	36.5	Very low	108 Å²	108	131.1 Å²	131.1	76%	0.755	75%	0.746	S	S	*	*			trans	-70.2	175.9	-178.2	-47.1	0	0	0	0	114.7
35	P	35.1	Very low	35.1	Very low	132 Å²	132	133.4 Å²	133.4	86%	0.857	76%	0.758	S	S	*	*				-143.8	162.6	97.6	32.7	-14.1	0	0	0	117.5
36	I	28.1	Very low	33.2	Very low	148 Å²	148	136.7 Å²	136.7	76%	0.759	77%	0.773	S	S	*	*			trans	-61.1	145.5	-178.8	-68.9	153.5	0	0	0	114.8
37	D	25.9	Very low	32.1	Very low	158 Å²	158	143 Å²	143	85%	0.845	79%	0.789	S	S	*	*				-159.7	142.8	127.8	-107.5	-16.1	0	0	0	112.3
38	S	28.8	Very low	31.2	Very low	106 Å²	106	143.5 Å²	143.5	74%	0.741	79%	0.794	S	S	*	*			trans	-137.7	-177.4	174.7	-61.6	0	0	0	0	107.1
39	P	41.8	Very low	29.9	Very low	123 Å²	123	143.8 Å²	143.8	80%	0.799	80%	0.796	S	S	*	*			cis	-135.7	169.8	-6.8	36.5	-17.9	0	0	0	114.3
40	A	26.5	Very low	29	Very low	100 Å²	100	142.1 Å²	142.1	83%	0.826	80%	0.801	S	S	*	*			trans	-162.6	97.2	150	0	0	0	0	0	112.7
41	E	25.4	Very low	28.5	Very low	181 Å²	181	147.7 Å²	147.7	85%	0.846	81%	0.811	S	S	*	*			trans	11.8	131.4	136.3	-85.8	-172	170.7	0	0	123.1
42	V	23.5	Very low	28	Very low	106 Å²	106	150.6 Å²	150.6	64%	0.642	81%	0.814	S	S	*	*				114.2	120.8	117.6	164.8	0	0	0	0	120.5
43	K	25	Very low	27.6	Very low	197 Å²	197	148.4 Å²	148.4	86%	0.857	81%	0.809	S	S	*	*			trans	106.7	103.7	139.4	-97.8	161.3	-159.7	177.7	0	121.5
44	I	25.6	Very low	27.3	Very low	142 Å²	142	149.2 Å²	149.2	73%	0.728	81%	0.808	S	S	*	*			trans	-37	141.7	146.4	-62.2	155.6	0	0	0	113.7
45	N	25.5	Very low	27.1	Very low	161 Å²	161	155.3 Å²	155.3	86%	0.861	81%	0.814	S	S	*	*			trans	-150.8	104.1	140.1	-108.3	-28.2	0	0	0	111.4
46	L	24.4	Very low	26.8	Very low	151 Å²	151	155.7 Å²	155.7	79%	0.791	81%	0.809	S	S	*	*			trans	-79.3	131.3	158.1	-84.6	152.8	0	0	0	108.3
47	R	26.2	Very low	26.8	Very low	245 Å²	245	158.3 Å²	158.3	93%	0.925	82%	0.815	S	S	*	*			trans	-133.5	104.3	155.9	-92.5	-170.7	173.7	-174.8	-2	110.1
48	Q	25	Very low	27	Very low	191 Å²	191	158.2 Å²	158.2	89%	0.893	82%	0.815	S	S	*	*			trans	-68	140.5	150.9	-73.6	168.7	-30.4	0	0	108.9
49	A	25.7	Very low	27.1	Very low	89 Å²	89	162.6 Å²	162.6	74%	0.736	82%	0.82	S	S	*	*			trans	-146.3	106.1	151.6	0	0	0	0	0	108.3
50	A	25.1	Very low	26.8	Very low	94 Å²	94	168.2 Å²	168.2	78%	0.777	83%	0.826	S	S	*	*			trans	-65.7	142.5	166.3	0	0	0	0	0	110.2
51	F	27	Very low	27.1	Very low	195 Å²	195	168.4 Å²	168.4	86%	0.855	82%	0.819	S	S	*	*			trans	-137.4	102.3	153.2	-91.7	-77.1	0	0	0	109.2
52	Q	24.5	Very low	27.3	Very low	177 Å²	177	168.2 Å²	168.2	83%	0.827	82%	0.818	S	S	*	*			trans	-59.1	138.4	150.7	-79.4	166.6	-49.9	0	0	108.6
53	N	26.9	Very low	28	Very low	152 Å²	152	172.7 Å²	172.7	81%	0.813	83%	0.831	S	S	*	*			trans	-155.8	105.2	138.3	-101	-28.1	0	0	0	109.9
54	Q	26.2	Very low	28.1	Very low	177 Å²	177	168.8 Å²	168.8	83%	0.827	83%	0.825	S	S	*	*			trans	-54.3	136.5	156.7	-80	166.8	-51.5	0	0	109.8
55	R	27.3	Very low	28.9	Very low	236 Å²	236	172 Å²	172	89%	0.891	83%	0.833	S	S	*	*			trans	-137.3	95.5	149.4	-76.4	-169.3	179.6	172.8	0.4	108.8
56	D	27.7	Very low	29.3	Very low	140 Å²	140	171.6 Å²	171.6	75%	0.749	83%	0.828	S	S	*	*			trans	-62.8	132.1	149.2	-98.7	-37.9	0	0	0	108.6
57	F	29.5	Very low	30.4	Very low	204 Å²	204	169 Å²	169	90%	0.895	82%	0.823	S	S	*	*			trans	-153.2	103.5	142.6	-100.9	-72.5	0	0	0	109.8	K59	F57-K59 PolarHBondContact O-N 2.62Å
58	N	29.9	Very low	31.5	Very low	155 Å²	155	163.6 Å²	163.6	83%	0.829	81%	0.812	S	S	*	*			trans	-32	126.3	159.7	-95.7	-31.9	0	0	0	113.8
59	K	29.7	Very low	32.6	Very low	199 Å²	199	158 Å²	158	87%	0.865	79%	0.792	S	S	*	*			trans	-137.9	110.3	148.6	-84.4	-174.9	176.3	179.3	0	108.9	F57	F57-K59 PolarHBondContact O-N 2.62Å
60	R	35.3	Very low	33.7	Very low	240 Å²	240	158.8 Å²	158.8	91%	0.906	79%	0.787	S	S	*	*			trans	-74.8	144.7	150.7	-80	-176.7	-178.4	-179.3	-0.4	107.8
61	P	34.5	Very low	34.9	Very low	105 Å²	105	161.2 Å²	161.2	68%	0.682	78%	0.783	S	S	*	*				-140.3	147.7	115.7	30.1	-13	0	0	0	114.4
62	E	28	Very low	36.3	Very low	177 Å²	177	154.9 Å²	154.9	83%	0.827	76%	0.763	S	S	*	*			trans	65.9	113.3	140.5	-69.3	175.2	158.9	0	0	120.6	T64	E62-T64 PolarHBondContact O-N 3.1Å
63	E	38.4	Very low	38	Very low	199 Å²	199	151.5 Å²	151.5	93%	0.93	75%	0.751	S	S	*	*			trans	-49.9	114.5	159.7	-67.2	176.9	154	0	0	110.8
64	T	27.5	Very low	39.5	Very low	116 Å²	116	150.5 Å²	150.5	71%	0.712	74%	0.742	S	S	*	*			trans	-113.5	103.8	159	-44.7	0	0	0	0	106.9	E62 M66	E62-T64 PolarHBondContact O-N 3.1Å; T64-M66 PolarHBondContact O-N 3.06Å
65	K	42.3	Very low	41.5	Very low	210 Å²	210	146.4 Å²	146.4	91%	0.913	73%	0.726	S	S	*	*			trans	-67.6	113.3	167.6	-87.6	-179.9	174.2	176.5	0	108.4
66	M	34.5	Very low	43.9	Very low	152 Å²	152	139.7 Å²	139.7	75%	0.749	71%	0.711	S	S	*	*			trans	-143.9	111.5	162.6	-103.6	167.6	58.7	0	0	109.7	T64	T64-M66 PolarHBondContact O-N 3.06Å
67	S	46.4	Very low	46.5	Very low	97 Å²	97	139.4 Å²	139.4	68%	0.678	71%	0.706	S	S	*	*			trans	33.6	93.6	149.2	59.5	0	0	0	0	120.1
68	D	48.9	Very low	48.8	Very low	130 Å²	130	131.9 Å²	131.9	70%	0.695	68%	0.675	S	S	*	*			trans	-134.7	85.7	157.9	-76.7	-36.5	0	0	0	112.2
69	P	48.5	Very low	51.4	Low	73 Å²	73	127.8 Å²	127.8	47%	0.474	65%	0.651	S	S	.	*	S	Bend	trans	-111.6	-22.6	155.6	4	16.2	0	0	0	112.6	S72 D73	P69-S72 PolarHBondContact O-OG 3.25Å; P69-S72 VanDerWaalsContact O-OG 3.06Å; P69-D73 WeakPolarHBondContact O-CB 3.22Å; P69-D73 VanDerWaalsContact O-CG 3.22Å; P69-D73 PolarHBondContact O-N 2.92Å; P69-D73 VanDerWaalsContact O-N 3.13Å
70	V	50.4	Low	54.1	Low	106 Å²	106	121 Å²	121	64%	0.642	63%	0.628	S	S	*	*	H	α-helix	trans	-75.2	-39.3	-168.6	-177.7	0	0	0	0	112	M74	V70-M74 WeakPolarHBondContact O-CB 3.49Å; V70-M74 PolarHBondContact O-N 3.47Å
71	E	48.5	Very low	56.5	Low	145 Å²	145	111.3 Å²	111.3	68%	0.678	60%	0.595	S	S	*	*	H	α-helix	trans	-72.3	-36.4	-179.4	-154.8	170.7	-156.5	0	0	111.8	D75	E71-D75 WeakPolarHBondContact O-CB 3.43Å; E71-D75 PolarHBondContact O-N 2.83Å; E71-D75 VanDerWaalsContact O-N 3.08Å
72	S	58.1	Low	59.2	Low	63 Å²	63	106.6 Å²	106.6	44%	0.441	57%	0.565	S	S	.	*	H	α-helix	trans	-70.6	-35.5	175.4	62.8	0	0	0	0	113.3	P69 T76	P69-S72 PolarHBondContact O-OG 3.25Å; P69-S72 VanDerWaalsContact O-OG 3.06Å; S72-T76 WeakPolarHBondContact O-CB 3.48Å; S72-T76 PolarHBondContact O-N 3.38Å; S72-T76 VanDerWaalsContact O-N 3.08Å; S72-T76 PolarHBondContact O-OG1 3.38Å
73	D	58.8	Low	62.2	Low	106 Å²	106	108.1 Å²	108.1	57%	0.567	56%	0.563	S	S	*	*	H	α-helix	trans	-73.4	-40.6	177.8	-74.6	-11	0	0	0	111.1	P69 T76 E77	P69-D73 WeakPolarHBondContact O-CB 3.22Å; P69-D73 VanDerWaalsContact O-CG 3.22Å; P69-D73 PolarHBondContact O-N 2.92Å; P69-D73 VanDerWaalsContact O-N 3.13Å; D73-T76 PolarHBondContact O-N 3.39Å; D73-E77 PolarHBondContact O-N 3.04Å
74	M	57.9	Low	64.8	Low	130 Å²	130	106.2 Å²	106.2	64%	0.64	55%	0.551	S	S	*	*	H	α-helix	trans	-61.8	-42.7	173.8	-99.3	179.8	50.3	0	0	112.7	V70 E77 L78	V70-M74 WeakPolarHBondContact O-CB 3.49Å; V70-M74 PolarHBondContact O-N 3.47Å; M74-E77 PolarHBondContact O-N 3.44Å; M74-L78 WeakPolarHBondContact O-CB 3.35Å; M74-L78 PolarHBondContact O-N 3.47Å
75	D	70.2	Confident	68.1	Low	91 Å²	91	102.2 Å²	102.2	49%	0.487	52%	0.524	S	S	.	.	H	α-helix	trans	-67.4	-38.9	177.1	-165.4	32.8	0	0	0	110.6	E71 E77 L78 Q79	E71-D75 WeakPolarHBondContact O-CB 3.43Å; E71-D75 PolarHBondContact O-N 2.83Å; E71-D75 VanDerWaalsContact O-N 3.08Å; D75-E77 PolarHBondContact O-N 3.18Å; D75-L78 PolarHBondContact O-N 3.17Å; D75-Q79 WeakPolarHBondContact O-CB 3.5Å; D75-Q79 WeakPolarHBondContact O-CG 3.49Å; D75-Q79 PolarHBondContact O-N 3.33Å
76	T	77.7	Confident	70.7	Confident	95 Å²	95	93.8 Å²	93.8	58%	0.583	49%	0.491	S	S	*	.	H	α-helix	trans	-63.8	-42.7	176.3	-57.6	0	0	0	0	112.5	S72 D73 S80	S72-T76 WeakPolarHBondContact O-CB 3.48Å; S72-T76 PolarHBondContact O-N 3.38Å; S72-T76 VanDerWaalsContact O-N 3.08Å; S72-T76 PolarHBondContact O-OG1 3.38Å; D73-T76 PolarHBondContact O-N 3.39Å; T76-S80 WeakPolarHBondContact O-CB 3.45Å; T76-S80 PolarHBondContact O-N 3.48Å
77	E	80.4	Confident	73.6	Confident	135 Å²	135	91.5 Å²	91.5	63%	0.631	49%	0.487	S	S	*	.	H	α-helix	trans	-67.2	-42.9	177.4	-173.4	173.1	-171.7	0	0	111.8	D73 M74 D75 S80 T81	D73-E77 PolarHBondContact O-N 3.04Å; M74-E77 PolarHBondContact O-N 3.44Å; D75-E77 PolarHBondContact O-N 3.18Å; E77-S80 PolarHBondContact O-N 3.2Å; E77-S80 PolarHBondContact O-OG 3.05Å; E77-T81 PolarHBondContact O-N 3.42Å; E77-T81 PolarHBondContact O-OG1 2.89Å; E77-T81 VanDerWaalsContact O-OG1 3.11Å
78	L	79.7	Confident	76.1	Confident	46 Å²	46	88 Å²	88	24%	0.241	46%	0.462	C	S	.	.	H	α-helix	trans	-60.7	-48.6	174.9	178.6	60.2	0	0	0	110.8	M74 D75 S80 T81 L82 K203	M74-L78 WeakPolarHBondContact O-CB 3.35Å; M74-L78 PolarHBondContact O-N 3.47Å; D75-L78 PolarHBondContact O-N 3.17Å; L78-S80 VanDerWaalsContact C-N 3.29Å; L78-S80 PolarHBondContact O-N 3.38Å; L78-T81 WeakPolarHBondContact O-CA 3.33Å; L78-T81 WeakPolarHBondContact O-CB 3.43Å; L78-T81 PolarHBondContact O-N 3.39Å; L78-L82 HydrophobicContact CD1-CD1 4.28Å; L78-L82 HydrophobicContact CD1-CG 4.19Å; L78-L82 HydrophobicContact CG-CD1 4.06Å; L78-L82 HydrophobicContact CG-CG 4.38Å; L78-L82 VanDerWaalsContact O-CG 3.32Å; L78-L82 WeakPolarHBondContact O-CG 3.4Å; L78-L82 PolarHBondContact O-N 2.9Å; L78-K203 HydrophobicContact CD1-CD 4.38Å; L78-K203 HydrophobicContact CD1-CG 3.74Å; L78-K203 HydrophobicContact CD2-CG 4.09Å
79	Q	83.3	Confident	78.4	Confident	69 Å²	69	82.8 Å²	82.8	32%	0.322	44%	0.435	S	S	.	.	H	α-helix	trans	-59.5	-40.4	176.1	-69.9	-61.8	-25.5	0	0	111.9	D75 T81 L82 R83	D75-Q79 WeakPolarHBondContact O-CB 3.5Å; D75-Q79 WeakPolarHBondContact O-CG 3.49Å; D75-Q79 PolarHBondContact O-N 3.33Å; Q79-T81 VanDerWaalsContact C-N 3.28Å; Q79-T81 PolarHBondContact O-N 3.41Å; Q79-L82 PolarHBondContact O-N 3.06Å; Q79-R83 VanDerWaalsContact O-CG 3.28Å; Q79-R83 WeakPolarHBondContact O-CG 3.44Å; Q79-R83 PolarHBondContact O-N 3.18Å
80	S	86.6	Confident	80.8	Confident	56 Å²	56	83.2 Å²	83.2	39%	0.392	43%	0.427	S	S	.	.	H	α-helix	trans	-62.5	-36.3	175.1	85.6	0	0	0	0	112.3	T76 E77 L78	T76-S80 WeakPolarHBondContact O-CB 3.45Å; T76-S80 PolarHBondContact O-N 3.48Å; E77-S80 PolarHBondContact O-N 3.2Å; E77-S80 PolarHBondContact O-OG 3.05Å; L78-S80 VanDerWaalsContact C-N 3.29Å; L78-S80 PolarHBondContact O-N 3.38Å
81	T	86.3	Confident	83.1	Confident	36 Å²	36	81.5 Å²	81.5	22%	0.221	41%	0.41	C	S	.	.	H	α-helix	trans	-70.8	-44.9	176.5	-64.9	0	0	0	0	111	E77 L78 Q79 R83 K84 F85	E77-T81 PolarHBondContact O-N 3.42Å; E77-T81 PolarHBondContact O-OG1 2.89Å; E77-T81 VanDerWaalsContact O-OG1 3.11Å; L78-T81 WeakPolarHBondContact O-CA 3.33Å; L78-T81 WeakPolarHBondContact O-CB 3.43Å; L78-T81 PolarHBondContact O-N 3.39Å; Q79-T81 VanDerWaalsContact C-N 3.28Å; Q79-T81 PolarHBondContact O-N 3.41Å; T81-R83 VanDerWaalsContact C-N 3.27Å; T81-R83 PolarHBondContact O-N 3.25Å; T81-K84 VanDerWaalsContact O-CB 3.27Å; T81-K84 WeakPolarHBondContact O-CB 3.5Å; T81-K84 PolarHBondContact O-N 2.97Å; T81-F85 HydrophobicContact CG2-CE2 4.2Å; T81-F85 WeakPolarHBondContact O-CD2 3.5Å
82	L	90.2	Very high	85.5	Confident	7 Å²	7	74.8 Å²	74.8	4%	0.037	38%	0.379	C	S	.	.	H	α-helix	trans	-63.5	-31.2	179.1	-66.3	175.5	0	0	0	112.9	L78 Q79 K84 F85 Y204	L78-L82 HydrophobicContact CD1-CD1 4.28Å; L78-L82 HydrophobicContact CD1-CG 4.19Å; L78-L82 HydrophobicContact CG-CD1 4.06Å; L78-L82 HydrophobicContact CG-CG 4.38Å; L78-L82 VanDerWaalsContact O-CG 3.32Å; L78-L82 WeakPolarHBondContact O-CG 3.4Å; L78-L82 PolarHBondContact O-N 2.9Å; Q79-L82 PolarHBondContact O-N 3.06Å; L82-K84 PolarHBondContact O-N 3.33Å; L82-F85 PolarHBondContact O-N 3.17Å; L82-Y204 HydrophobicContact CD2-CD1 3.66Å; L82-Y204 HydrophobicContact CD2-CE1 4.22Å; L82-Y204 HydrophobicContact CD2-CG 4.3Å
83	R	91.1	Very high	87.4	Confident	209 Å²	209	71.8 Å²	71.8	79%	0.789	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-16.8	174	-74.7	174.1	-170.8	-170.9	4.5	114	Q79 T81 F85	Q79-R83 VanDerWaalsContact O-CG 3.28Å; Q79-R83 WeakPolarHBondContact O-CG 3.44Å; Q79-R83 PolarHBondContact O-N 3.18Å; T81-R83 VanDerWaalsContact C-N 3.27Å; T81-R83 PolarHBondContact O-N 3.25Å; R83-F85 VanDerWaalsContact C-N 3.27Å
84	K	93.3	Very high	89.4	Confident	158 Å²	158	66.8 Å²	66.8	69%	0.687	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-18.8	175.8	-59.7	172.1	-175.3	166.1	0	112.3	T81 L82	T81-K84 VanDerWaalsContact O-CB 3.27Å; T81-K84 WeakPolarHBondContact O-CB 3.5Å; T81-K84 PolarHBondContact O-N 2.97Å; L82-K84 PolarHBondContact O-N 3.33Å
85	F	96.5	Very high	91.3	Very high	32 Å²	32	60.6 Å²	60.6	14%	0.14	30%	0.3	C	S	.	.	S	Bend	trans	-104.5	150.8	-179.1	-56	-75.4	0	0	0	111.4	T81 L82 R83 Q163 R166 Y204	T81-F85 HydrophobicContact CG2-CE2 4.2Å; T81-F85 WeakPolarHBondContact O-CD2 3.5Å; L82-F85 PolarHBondContact O-N 3.17Å; R83-F85 VanDerWaalsContact C-N 3.27Å; F85-Q163 HydrophobicContact CE1-CB 4.08Å; F85-Q163 HydrophobicContact CE1-CG 4.5Å; F85-Q163 WeakPolarHBondContact CE1-O 3.36Å; F85-Q163 HydrophobicContact CE2-CG 4.32Å; F85-Q163 HydrophobicContact CZ-CB 3.82Å; F85-Q163 HydrophobicContact CZ-CG 3.73Å; F85-R166 HydrophobicContact CB-CB 3.73Å; F85-R166 HydrophobicContact CD1-CB 3.95Å; F85-R166 HydrophobicContact CD2-CB 4.28Å; F85-R166 HydrophobicContact CG-CB 3.72Å; F85-Y204 HydrophobicContact CE2-CE1 4.31Å
86	P	96.8	Very high	92.7	Very high	34 Å²	34	56.3 Å²	56.3	22%	0.221	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-60.3	156.7	169.9	29.4	-36.4	0	0	0	110.9	R166 A169 R428	P86-R166 VanDerWaalsContact CD-O 3.22Å; P86-R166 WeakPolarHBondContact CD-O 3.49Å; P86-R166 WeakPolarHBondContact CG-O 3.5Å; P86-R166 PolarHBondContact O-NE 3.49Å; P86-R166 VanDerWaalsContact O-NE 3.15Å; P86-R166 PolarHBondContact O-NH2 3.04Å; P86-A169 HydrophobicContact CB-CB 4.12Å; P86-A169 HydrophobicContact CG-CB 3.81Å; P86-R428 HydrophobicContact CG-CG 4.22Å
87	P	96.4	Very high	93.7	Very high	103 Å²	103	51.8 Å²	51.8	67%	0.669	25%	0.25	S	C	*	.	P	Polyproline II helix	trans	-62.5	144.9	171.2	27.8	-34	0	0	0	110
88	P	97.8	Very high	94.5	Very high	23 Å²	23	45.8 Å²	45.8	15%	0.149	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-65.5	137.4	175.7	25.2	-31.5	0	0	0	111.6	Y90 G171 H205	P88-Y90 HydrophobicContact CB-CD1 4.47Å; P88-Y90 HydrophobicContact CB-CE1 3.93Å; P88-Y90 HydrophobicContact CG-CE1 3.88Å; P88-Y90 HydrophobicContact CG-CE2 4.12Å; P88-Y90 VanDerWaalsContact CG-OH 3.32Å; P88-Y90 WeakPolarHBondContact CG-OH 3.35Å; P88-G171 VanDerWaalsContact CB-CA 3.47Å; P88-H205 HydrophobicContact CG-CB 4.44Å
89	N	98.6	Very high	95.4	Very high	22 Å²	22	45.2 Å²	45.2	12%	0.118	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	104.3	166.7	-175.4	-15.4	0	0	0	109.4	Y91 L92 A169 G171 A431	N89-Y91 PolarHBondContact O-N 2.88Å; N89-Y91 VanDerWaalsContact O-N 3.17Å; N89-Y91 WeakPolarHBondContact OD1-CB 3.34Å; N89-Y91 PolarHBondContact OD1-N 3.01Å; N89-L92 HydrophobicContact CB-CB 4.24Å; N89-L92 PolarHBondContact O-N 2.95Å; N89-A169 WeakPolarHBondContact CB-O 3.31Å; N89-A169 PolarHBondContact N-O 3.07Å; N89-G171 WeakPolarHBondContact O-CA 3.35Å; N89-G171 PolarHBondContact O-N 2.81Å; N89-A431 HydrophobicContact CB-CB 4.46Å; N89-A431 PolarHBondContact ND2-O 3.29Å
90	Y	98.6	Very high	96.1	Very high	82 Å²	82	42.1 Å²	42.1	32%	0.322	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	0.5	-179.1	-60.9	-59.5	0	0	0	114.8	P88 H93 G171 V172 H205 K207	P88-Y90 HydrophobicContact CB-CD1 4.47Å; P88-Y90 HydrophobicContact CB-CE1 3.93Å; P88-Y90 HydrophobicContact CG-CE1 3.88Å; P88-Y90 HydrophobicContact CG-CE2 4.12Å; P88-Y90 VanDerWaalsContact CG-OH 3.32Å; P88-Y90 WeakPolarHBondContact CG-OH 3.35Å; Y90-H93 PolarHBondContact O-NE2 3.02Å; Y90-G171 WeakPolarHBondContact CD1-O 3.37Å; Y90-G171 WeakPolarHBondContact CE1-O 3.44Å; Y90-V172 HydrophobicContact CD1-CG2 4.26Å; Y90-H205 VanDerWaalsContact CE1-O 3.29Å; Y90-H205 WeakPolarHBondContact CE1-O 3.29Å; Y90-H205 PolarHBondContact OH-O 3.16Å; Y90-K207 HydrophobicContact CD1-CG 3.87Å; Y90-K207 HydrophobicContact CE1-CG 3.69Å
91	Y	98.6	Very high	96.7	Very high	70 Å²	70	39.4 Å²	39.4	28%	0.275	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	-1.5	169.6	-57.7	-76.4	0	0	0	112.8	N89 Y243 F385 I386 R438	N89-Y91 PolarHBondContact O-N 2.88Å; N89-Y91 VanDerWaalsContact O-N 3.17Å; N89-Y91 WeakPolarHBondContact OD1-CB 3.34Å; N89-Y91 PolarHBondContact OD1-N 3.01Å; Y91-Y243 AromaticContact CE1-CE2 3.93Å; Y91-Y243 HydrophobicContact CE1-CE2 3.93Å; Y91-F385 AromaticContact CD1-CD1 3.98Å; Y91-F385 HydrophobicContact CD1-CD1 3.98Å; Y91-F385 AromaticContact CD1-CE1 3.69Å; Y91-F385 HydrophobicContact CD1-CE1 3.69Å; Y91-F385 HydrophobicContact CD1-CZ 4.3Å; Y91-F385 HydrophobicContact CE1-CE1 4.29Å; Y91-F385 WeakPolarHBondContact O-CA 3.46Å; Y91-I386 PolarHBondContact O-N 3.1Å; Y91-R438 VanDerWaalsContact CZ-NH1 3.26Å; Y91-R438 PolarHBondContact OH-NH2 3.33Å
92	L	98.8	Very high	97.3	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.021	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	112.4	177	-172.1	64.8	0	0	0	109.2	N89 I170 G171 V172 I386 I388 T427 A431	N89-L92 HydrophobicContact CB-CB 4.24Å; N89-L92 PolarHBondContact O-N 2.95Å; L92-I170 HydrophobicContact CD2-CG1 4.03Å; L92-I170 HydrophobicContact CG-CG1 4.33Å; L92-G171 PolarHBondContact O-N 3.34Å; L92-V172 PolarHBondContact O-N 3.06Å; L92-I386 WeakPolarHBondContact CA-O 3.41Å; L92-I386 HydrophobicContact CD1-CB 3.76Å; L92-I386 HydrophobicContact CD1-CG2 3.76Å; L92-I388 HydrophobicContact CD1-CD1 3.89Å; L92-I388 HydrophobicContact CD1-CG1 3.99Å; L92-I388 HydrophobicContact CD2-CD1 4.05Å; L92-I388 HydrophobicContact CG-CD1 3.92Å; L92-I388 HydrophobicContact CG-CG1 4.48Å; L92-T427 HydrophobicContact CD2-CG2 3.88Å; L92-A431 HydrophobicContact CD2-CB 3.6Å
93	H	98.9	Very high	97.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	148.7	-177.7	-60.4	-173	0	0	0	109.6	Y90 V172 F241 Y255 F385 I386 S387 I388	Y90-H93 PolarHBondContact O-NE2 3.02Å; H93-V172 CarbonylContact C-O 3.54Å; H93-V172 VanDerWaalsContact CA-O 3.25Å; H93-V172 WeakPolarHBondContact CA-O 3.42Å; H93-V172 HydrophobicContact CB-CB 4.32Å; H93-V172 WeakPolarHBondContact CD2-CB 3.34Å; H93-V172 VanDerWaalsContact CD2-CG2 3.44Å; H93-V172 WeakPolarHBondContact CD2-CG2 3.24Å; H93-F241 AromaticContact CE1-CE1 3.76Å; H93-F241 AromaticContact CE1-CZ 3.85Å; H93-F241 AromaticContact NE2-CZ 3.64Å; H93-Y255 AromaticContact ND1-CE2 3.76Å; H93-Y255 AromaticContact ND1-CZ 3.68Å; H93-Y255 PolarHBondContact ND1-OH 3.43Å; H93-F385 AromaticContact CE1-CD1 3.62Å; H93-F385 AromaticContact CE1-CE1 3.88Å; H93-F385 AromaticContact NE2-CD1 3.31Å; H93-F385 VanDerWaalsContact NE2-CD1 3.31Å; H93-F385 WeakPolarHBondContact NE2-CD1 3.34Å; H93-F385 AromaticContact NE2-CE1 3.57Å; H93-I386 PolarHBondContact N-O 2.98Å; H93-S387 CarbonylContact O-C 3.5Å; H93-S387 VanDerWaalsContact O-CA 3.3Å; H93-S387 WeakPolarHBondContact O-CA 3.18Å; H93-I388 PolarHBondContact O-N 3.1Å
94	A	98.9	Very high	98	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	131.9	172	0	0	0	0	0	111.2	Y96 L165 I170 V172 I173 A174 I388 F391	A94-Y96 PolarHBondContact O-N 2.86Å; A94-L165 HydrophobicContact CB-CD2 4.45Å; A94-I170 HydrophobicContact CB-CD1 3.93Å; A94-I170 HydrophobicContact CB-CG2 4.01Å; A94-V172 PolarHBondContact N-O 2.99Å; A94-I173 CarbonylContact O-C 3.07Å; A94-I173 WeakPolarHBondContact O-CA 3.41Å; A94-A174 PolarHBondContact O-N 2.87Å; A94-I388 WeakPolarHBondContact CA-O 3.32Å; A94-I388 HydrophobicContact CB-CB 4.15Å; A94-F391 HydrophobicContact CB-CB 4.36Å
95	F	98.9	Very high	98.2	Very high	1 Å²	1	33.9 Å²	33.9	0%	0.004	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	130.7	172.7	-63.8	-68.1	0	0	0	109.8	Y97 A174 H211 Y255 Y310 Y312 I388 T389 F391	F95-Y97 HydrophobicContact CB-CE2 4.11Å; F95-A174 WeakPolarHBondContact CA-O 3.32Å; F95-A174 HydrophobicContact CD1-CB 3.84Å; F95-A174 HydrophobicContact CE1-CB 4.05Å; F95-H211 HydrophobicContact CD1-CB 4.32Å; F95-H211 AromaticContact CD1-CE1 3.82Å; F95-H211 AromaticContact CD1-CG 3.84Å; F95-H211 AromaticContact CD1-ND1 3.36Å; F95-H211 WeakPolarHBondContact CD1-ND1 3.24Å; F95-H211 HydrophobicContact CE1-CB 4.5Å; F95-H211 AromaticContact CE1-CE1 3.94Å; F95-H211 AromaticContact CE1-CG 3.9Å; F95-H211 AromaticContact CE1-ND1 3.76Å; F95-Y255 HydrophobicContact CE1-CD1 4.26Å; F95-Y255 HydrophobicContact CE1-CD2 4.46Å; F95-Y255 HydrophobicContact CE1-CG 4.17Å; F95-Y255 HydrophobicContact CZ-CD1 4.29Å; F95-Y255 HydrophobicContact CZ-CE1 4.41Å; F95-Y310 HydrophobicContact CE1-CD2 4.39Å; F95-Y310 HydrophobicContact CE1-CE2 4.02Å; F95-Y310 HydrophobicContact CE2-CD2 4.27Å; F95-Y310 HydrophobicContact CE2-CE2 4.36Å; F95-Y310 AromaticContact CZ-CD2 3.53Å; F95-Y310 HydrophobicContact CZ-CD2 3.53Å; F95-Y310 AromaticContact CZ-CE2 3.52Å; F95-Y310 HydrophobicContact CZ-CE2 3.52Å; F95-Y312 HydrophobicContact CD2-CD2 4.04Å; F95-Y312 HydrophobicContact CD2-CE2 4.27Å; F95-Y312 AromaticContact CE2-CD2 3.92Å; F95-Y312 HydrophobicContact CE2-CD2 3.92Å; F95-Y312 HydrophobicContact CG-CD2 4.4Å; F95-Y312 HydrophobicContact CG-CE2 4.29Å; F95-Y312 HydrophobicContact CZ-CD2 4.19Å; F95-I388 WeakPolarHBondContact CD2-O 3.28Å; F95-I388 PolarHBondContact N-O 3.18Å; F95-T389 VanDerWaalsContact CD2-OG1 3.28Å; F95-T389 WeakPolarHBondContact CD2-OG1 3.25Å; F95-T389 WeakPolarHBondContact CE2-OG1 3.4Å; F95-F391 WeakPolarHBondContact O-CB 3.26Å; F95-F391 PolarHBondContact O-N 3.28Å
96	Y	98.9	Very high	98.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	131.6	-168.9	-177.1	-91.7	0	0	0	110.8	A94 V98 H161 I173 A174 V175 S176 L197 F391	A94-Y96 PolarHBondContact O-N 2.86Å; Y96-V98 HydrophobicContact CD1-CG1 3.82Å; Y96-V98 HydrophobicContact CE1-CG1 3.4Å; Y96-H161 HydrophobicContact CE2-CB 4.14Å; Y96-H161 AromaticContact CE2-ND1 3.58Å; Y96-H161 AromaticContact CZ-ND1 3.57Å; Y96-H161 PolarHBondContact OH-ND1 3.36Å; Y96-I173 HydrophobicContact CD1-CD1 4.12Å; Y96-I173 HydrophobicContact CD2-CG2 4.35Å; Y96-I173 HydrophobicContact CE1-CD1 4.46Å; Y96-I173 HydrophobicContact CG-CB 4.33Å; Y96-I173 HydrophobicContact CG-CD1 4.23Å; Y96-I173 HydrophobicContact CG-CG2 4.39Å; Y96-A174 PolarHBondContact N-O 3.22Å; Y96-V175 HydrophobicContact CD1-CG2 4.21Å; Y96-V175 WeakPolarHBondContact O-CA 2.99Å; Y96-S176 PolarHBondContact O-N 2.83Å; Y96-L197 HydrophobicContact CD1-CD2 4.5Å; Y96-L197 HydrophobicContact CE1-CD1 3.86Å; Y96-L197 HydrophobicContact CE1-CD2 4.28Å; Y96-F391 HydrophobicContact CD2-CB 4.02Å; Y96-F391 AromaticContact CD2-CD1 3.28Å; Y96-F391 HydrophobicContact CD2-CD1 3.28Å; Y96-F391 HydrophobicContact CD2-CE1 4.01Å; Y96-F391 AromaticContact CD2-CG 3.85Å; Y96-F391 HydrophobicContact CD2-CG 3.85Å; Y96-F391 AromaticContact CE2-CD1 3.37Å; Y96-F391 HydrophobicContact CE2-CD1 3.37Å; Y96-F391 AromaticContact CE2-CE1 3.6Å; Y96-F391 HydrophobicContact CE2-CE1 3.6Å; Y96-F391 HydrophobicContact CE2-CG 4.29Å
97	Y	98.8	Very high	98.3	Very high	1 Å²	1	35.2 Å²	35.2	0%	0.004	20%	0.201	C	C	.	.			trans	-116.3	130.1	-172.5	-57.7	-97.6	0	0	0	110	F95 W99 Y312 N392 E393	F95-Y97 HydrophobicContact CB-CE2 4.11Å; Y97-W99 HydrophobicContact CD1-CD2 4.23Å; Y97-W99 AromaticContact CD1-CE2 3.91Å; Y97-W99 HydrophobicContact CD1-CE3 4.28Å; Y97-W99 AromaticContact CD1-CH2 3.76Å; Y97-W99 HydrophobicContact CD1-CH2 3.76Å; Y97-W99 AromaticContact CD1-CZ2 3.72Å; Y97-W99 HydrophobicContact CD1-CZ2 3.72Å; Y97-W99 HydrophobicContact CD1-CZ3 4.05Å; Y97-W99 HydrophobicContact CE1-CH2 4.07Å; Y97-W99 HydrophobicContact CE1-CZ2 4.33Å; Y97-W99 HydrophobicContact CE1-CZ3 4.49Å; Y97-W99 HydrophobicContact CG-CZ2 4.22Å; Y97-Y312 WeakPolarHBondContact OH-CE2 3.13Å; Y97-Y312 PolarHBondContact OH-OH 2.92Å; Y97-N392 PolarHBondContact N-OD1 2.85Å; Y97-N392 PolarHBondContact O-ND2 3.36Å; Y97-E393 WeakPolarHBondContact CD1-OE2 3.48Å; Y97-E393 HydrophobicContact CD2-CB 3.93Å; Y97-E393 WeakPolarHBondContact CD2-OE2 3.46Å; Y97-E393 WeakPolarHBondContact CE1-OE2 3.45Å; Y97-E393 HydrophobicContact CE2-CB 3.58Å; Y97-E393 HydrophobicContact CE2-CG 4.22Å; Y97-E393 WeakPolarHBondContact CE2-OE2 3.48Å; Y97-E393 VanDerWaalsContact CZ-OE2 3.27Å
98	V	98.2	Very high	98.4	Very high	8 Å²	8	35.3 Å²	35.3	5%	0.048	19%	0.191	C	C	.	.			trans	-110.9	17	-174.3	-74.9	0	0	0	0	113	Y96 S152 V175 V190 I193 L197	Y96-V98 HydrophobicContact CD1-CG1 3.82Å; Y96-V98 HydrophobicContact CE1-CG1 3.4Å; V98-S152 WeakPolarHBondContact O-CB 3.49Å; V98-S152 PolarHBondContact O-OG 3.34Å; V98-V175 HydrophobicContact CG1-CG1 4.14Å; V98-V175 HydrophobicContact CG2-CG1 3.91Å; V98-V190 HydrophobicContact CG2-CB 3.78Å; V98-V190 HydrophobicContact CG2-CG1 4.09Å; V98-V190 HydrophobicContact CG2-CG2 4.22Å; V98-I193 HydrophobicContact CB-CD1 4.15Å; V98-I193 HydrophobicContact CB-CG2 3.83Å; V98-I193 HydrophobicContact CG1-CD1 4.2Å; V98-I193 HydrophobicContact CG1-CG2 4.05Å; V98-I193 HydrophobicContact CG2-CG2 3.95Å; V98-L197 HydrophobicContact CG1-CD2 4Å
99	W	98	Very high	98.4	Very high	35 Å²	35	36.9 Å²	36.9	13%	0.133	20%	0.195	C	C	.	.			trans	-94.9	-3.6	-168.3	59.9	16.4	0	0	0	114.8	Y97 H111 V190 E393 H395	Y97-W99 HydrophobicContact CD1-CD2 4.23Å; Y97-W99 AromaticContact CD1-CE2 3.91Å; Y97-W99 HydrophobicContact CD1-CE3 4.28Å; Y97-W99 AromaticContact CD1-CH2 3.76Å; Y97-W99 HydrophobicContact CD1-CH2 3.76Å; Y97-W99 AromaticContact CD1-CZ2 3.72Å; Y97-W99 HydrophobicContact CD1-CZ2 3.72Å; Y97-W99 HydrophobicContact CD1-CZ3 4.05Å; Y97-W99 HydrophobicContact CE1-CH2 4.07Å; Y97-W99 HydrophobicContact CE1-CZ2 4.33Å; Y97-W99 HydrophobicContact CE1-CZ3 4.49Å; Y97-W99 HydrophobicContact CG-CZ2 4.22Å; W99-H111 VanDerWaalsContact CB-CD2 3.41Å; W99-H111 WeakPolarHBondContact CB-CD2 3.42Å; W99-H111 WeakPolarHBondContact CB-NE2 3.49Å; W99-H111 AromaticContact CD1-CD2 3.82Å; W99-H111 AromaticContact CD1-CG 3.57Å; W99-H111 AromaticContact CD1-ND1 3.79Å; W99-H111 AromaticContact CD2-CD2 3.88Å; W99-H111 AromaticContact CD2-CE1 3.14Å; W99-H111 AromaticContact CD2-CG 3.89Å; W99-H111 AromaticContact CD2-ND1 3.44Å; W99-H111 AromaticContact CD2-NE2 3.44Å; W99-H111 AromaticContact CE2-CE1 3.56Å; W99-H111 AromaticContact CE2-ND1 3.4Å; W99-H111 AromaticContact CE3-CE1 3.2Å; W99-H111 AromaticContact CE3-ND1 3.94Å; W99-H111 AromaticContact CE3-NE2 3.56Å; W99-H111 HydrophobicContact CG-CB 4.45Å; W99-H111 AromaticContact CG-CD2 3.41Å; W99-H111 VanDerWaalsContact CG-CD2 3.41Å; W99-H111 AromaticContact CG-CE1 3.57Å; W99-H111 AromaticContact CG-CG 3.59Å; W99-H111 AromaticContact CG-ND1 3.68Å; W99-H111 AromaticContact CG-NE2 3.42Å; W99-H111 AromaticContact CZ2-CE1 3.97Å; W99-H111 AromaticContact CZ2-ND1 3.84Å; W99-H111 AromaticContact CZ3-CE1 3.7Å; W99-H111 AromaticContact NE1-CG 3.86Å; W99-H111 AromaticContact NE1-ND1 3.66Å; W99-H111 PolarHBondContact O-CD2 3.29Å; W99-V190 HydrophobicContact CB-CG1 4.16Å; W99-E393 WeakPolarHBondContact CH2-OE2 3.43Å; W99-E393 VanDerWaalsContact CZ2-CD 3.49Å; W99-E393 WeakPolarHBondContact CZ2-OE1 3.31Å; W99-E393 WeakPolarHBondContact CZ2-OE2 3.43Å; W99-H395 AromaticContact CZ2-CD2 3.59Å; W99-H395 AromaticContact CZ2-NE2 3.95Å; W99-H395 AromaticContact NE1-NE2 3.85Å
100	Y	98.7	Very high	98.4	Very high	3 Å²	3	36.5 Å²	36.5	1%	0.012	19%	0.192	C	C	.	.			trans	-76.8	134.2	-177.3	-61.2	-70.7	0	0	0	110.4	H111 W112 Y150 S152 N392 W394 H395	Y100-H111 HydrophobicContact CD1-CB 3.73Å; Y100-H111 HydrophobicContact CE1-CB 3.95Å; Y100-W112 AromaticContact CD1-CD2 3.79Å; Y100-W112 HydrophobicContact CD1-CD2 3.79Å; Y100-W112 AromaticContact CD1-CE2 3.45Å; Y100-W112 VanDerWaalsContact CD1-CE2 3.45Å; Y100-W112 HydrophobicContact CD1-CE3 4.04Å; Y100-W112 HydrophobicContact CD1-CG 4.47Å; Y100-W112 AromaticContact CD1-CH2 3.71Å; Y100-W112 HydrophobicContact CD1-CH2 3.71Å; Y100-W112 AromaticContact CD1-CZ2 3.44Å; Y100-W112 HydrophobicContact CD1-CZ2 3.44Å; Y100-W112 VanDerWaalsContact CD1-CZ2 3.44Å; Y100-W112 HydrophobicContact CD1-CZ3 4Å; Y100-W112 AromaticContact CD1-NE1 3.96Å; Y100-W112 HydrophobicContact CD2-CZ2 4.35Å; Y100-W112 HydrophobicContact CE1-CD2 4.36Å; Y100-W112 HydrophobicContact CE1-CE3 4.15Å; Y100-W112 AromaticContact CE1-CH2 3.8Å; Y100-W112 HydrophobicContact CE1-CH2 3.8Å; Y100-W112 HydrophobicContact CE1-CZ2 4.03Å; Y100-W112 AromaticContact CE1-CZ3 3.86Å; Y100-W112 HydrophobicContact CE1-CZ3 3.86Å; Y100-W112 AromaticContact CG-CE2 3.86Å; Y100-W112 HydrophobicContact CG-CH2 4.17Å; Y100-W112 AromaticContact CG-CZ2 3.62Å; Y100-W112 HydrophobicContact CG-CZ2 3.62Å; Y100-Y150 AromaticContact CD2-CE2 3.62Å; Y100-Y150 HydrophobicContact CD2-CE2 3.62Å; Y100-Y150 AromaticContact CD2-CZ 3.81Å; Y100-Y150 VanDerWaalsContact CD2-OH 3.26Å; Y100-Y150 WeakPolarHBondContact CD2-OH 3.46Å; Y100-Y150 WeakPolarHBondContact CE2-OH 3.5Å; Y100-Y150 AromaticContact CG-CE2 3.83Å; Y100-Y150 HydrophobicContact CG-CE2 3.83Å; Y100-S152 WeakPolarHBondContact CB-OG 3.35Å; Y100-S152 PolarHBondContact N-OG 3.22Å; Y100-S152 WeakPolarHBondContact O-CB 3.44Å; Y100-S152 PolarHBondContact O-N 3.36Å; Y100-S152 PolarHBondContact O-OG 2.98Å; Y100-N392 WeakPolarHBondContact CE2-O 3.38Å; Y100-N392 PolarHBondContact OH-O 3.34Å; Y100-W394 HydrophobicContact CE1-CB 4.5Å; Y100-W394 AromaticContact CE2-CD1 3.98Å; Y100-W394 AromaticContact CZ-CD1 3.75Å; Y100-W394 PolarHBondContact OH-N 2.75Å; Y100-W394 VanDerWaalsContact OH-N 3.12Å; Y100-H395 AromaticContact CE1-CE1 3.81Å; Y100-H395 AromaticContact CE1-NE2 3.68Å
101	G	98.5	Very high	98.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-137.2	155.4	179.5	0	0	0	0	0	113.2	D106 K108 Y109 I110	G101-D106 WeakPolarHBondContact CA-OD2 3.4Å; G101-K108 CarbonylContact C-O 3.57Å; G101-Y109 WeakPolarHBondContact O-CA 3.49Å; G101-I110 PolarHBondContact N-O 3.41Å; G101-I110 PolarHBondContact O-N 3.28Å; G101-I110 VanDerWaalsContact O-N 3.08Å
102	N	98.6	Very high	98.4	Very high	20 Å²	20	29.3 Å²	29.3	11%	0.107	16%	0.164	C	C	.	.			trans	-137.6	164.2	178.4	76.6	22.8	0	0	0	112.7	T104 F105 D106 G107 K108 Y109 A149 S151	N102-T104 PolarHBondContact O-N 2.78Å; N102-T104 VanDerWaalsContact O-N 3.1Å; N102-T104 PolarHBondContact OD1-N 3.5Å; N102-T104 VanDerWaalsContact OD1-N 3.1Å; N102-F105 PolarHBondContact O-N 2.69Å; N102-F105 PolarHBondContact OD1-N 3.02Å; N102-D106 PolarHBondContact N-OD2 3.14Å; N102-D106 WeakPolarHBondContact O-CA 3.4Å; N102-D106 WeakPolarHBondContact O-CB 3.43Å; N102-D106 PolarHBondContact O-N 2.72Å; N102-G107 PolarHBondContact O-N 3.19Å; N102-K108 CarbonylContact C-O 3.55Å; N102-K108 WeakPolarHBondContact CA-O 3.35Å; N102-K108 PolarHBondContact N-O 3.04Å; N102-Y109 HydrophobicContact CB-CD1 4.12Å; N102-Y109 HydrophobicContact CB-CE1 3.97Å; N102-A149 WeakPolarHBondContact CB-O 3.33Å; N102-S151 PolarHBondContact ND2-N 3.39Å
103	P	98.4	Very high	98.3	Very high	62 Å²	62	30.5 Å²	30.5	40%	0.403	17%	0.171	S	C	.	.	H	α-helix	trans	-57.6	-28.7	-177	-28.8	36.5	0	0	0	115.4	G107 Y109	P103-G107 VanDerWaalsContact O-CA 3.31Å; P103-G107 WeakPolarHBondContact O-CA 3.32Å; P103-G107 PolarHBondContact O-N 3.31Å; P103-Y109 VanDerWaalsContact CD-CZ 3.49Å; P103-Y109 HydrophobicContact CG-CD2 3.89Å; P103-Y109 HydrophobicContact CG-CE1 4.39Å; P103-Y109 HydrophobicContact CG-CE2 3.62Å; P103-Y109 HydrophobicContact CG-CG 4.4Å
104	T	98.1	Very high	98.3	Very high	122 Å²	122	31.2 Å²	31.2	75%	0.748	17%	0.174	S	C	*	.	H	α-helix	trans	-73.5	-43.3	-176.6	-58.6	0	0	0	0	112.3	N102	N102-T104 PolarHBondContact O-N 2.78Å; N102-T104 VanDerWaalsContact O-N 3.1Å; N102-T104 PolarHBondContact OD1-N 3.5Å; N102-T104 VanDerWaalsContact OD1-N 3.1Å
105	F	97.7	Very high	98.1	Very high	90 Å²	90	32.4 Å²	32.4	40%	0.395	18%	0.182	S	C	.	.	H	α-helix	trans	-100.8	-26.9	-176	-73.6	-93.6	0	0	0	113.3	N102 S151 D154	N102-F105 PolarHBondContact O-N 2.69Å; N102-F105 PolarHBondContact OD1-N 3.02Å; F105-S151 WeakPolarHBondContact CB-OG 3.42Å; F105-D154 HydrophobicContact CD1-CB 4.2Å; F105-D154 HydrophobicContact CD2-CB 4.01Å; F105-D154 HydrophobicContact CE1-CB 3.89Å; F105-D154 HydrophobicContact CE2-CB 3.68Å; F105-D154 VanDerWaalsContact CE2-CG 3.45Å; F105-D154 WeakPolarHBondContact CE2-OD2 3.37Å; F105-D154 HydrophobicContact CG-CB 4.26Å; F105-D154 HydrophobicContact CZ-CB 3.61Å; F105-D154 WeakPolarHBondContact CZ-OD2 3.2Å
106	D	97.9	Very high	97.9	Very high	28 Å²	28	34.4 Å²	34.4	15%	0.15	19%	0.191	C	C	.	.	H	α-helix	trans	-120.5	-2.8	-170.8	-52.1	-83.7	0	0	0	112.8	G101 N102 K108 I110 S151 R153	G101-D106 WeakPolarHBondContact CA-OD2 3.4Å; N102-D106 PolarHBondContact N-OD2 3.14Å; N102-D106 WeakPolarHBondContact O-CA 3.4Å; N102-D106 WeakPolarHBondContact O-CB 3.43Å; N102-D106 PolarHBondContact O-N 2.72Å; D106-K108 PolarHBondContact O-N 2.67Å; D106-K108 VanDerWaalsContact O-N 3.1Å; D106-I110 HydrophobicContact CB-CD1 3.85Å; D106-S151 WeakPolarHBondContact OD2-CB 3.46Å; D106-S151 PolarHBondContact OD2-OG 3.18Å; D106-R153 WeakPolarHBondContact OD1-CD 3.39Å; D106-R153 IonicContact OD1-CZ 2.75Å; D106-R153 IonicContact OD1-NE 3.66Å; D106-R153 IonicContact OD1-NH1 3.76Å; D106-R153 PolarHBondContact OD1-NH1 3.36Å
107	G	97.9	Very high	97.7	Very high	65 Å²	65	36.9 Å²	36.9	67%	0.67	20%	0.204	S	C	*	.	S	Bend	trans	74.4	-11.6	-178.4	0	0	0	0	0	114.8	N102 P103	N102-G107 PolarHBondContact O-N 3.19Å; P103-G107 VanDerWaalsContact O-CA 3.31Å; P103-G107 WeakPolarHBondContact O-CA 3.32Å; P103-G107 PolarHBondContact O-N 3.31Å
108	K	97.9	Very high	97.4	Very high	105 Å²	105	41 Å²	41	46%	0.457	23%	0.231	S	C	.	.	S	Bend	trans	-154.2	165.7	175.2	59.8	179.9	179.8	178.3	0	110.6	G101 N102 D106 I110 E188	G101-K108 CarbonylContact C-O 3.57Å; N102-K108 CarbonylContact C-O 3.55Å; N102-K108 WeakPolarHBondContact CA-O 3.35Å; N102-K108 PolarHBondContact N-O 3.04Å; D106-K108 PolarHBondContact O-N 2.67Å; D106-K108 VanDerWaalsContact O-N 3.1Å; K108-I110 HydrophobicContact CG-CG1 4.1Å; K108-E188 WeakPolarHBondContact CE-OE1 3.37Å; K108-E188 IonicContact NZ-OE1 3.83Å; K108-E188 PolarHBondContact NZ-OE1 2.78Å
109	Y	98.4	Very high	97.2	Very high	57 Å²	57	42.1 Å²	42.1	22%	0.224	24%	0.236	C	C	.	.			trans	-70.2	142.6	163.9	-69.7	-72.7	0	0	0	110.1	G101 N102 P103 W112 P135 A149	G101-Y109 WeakPolarHBondContact O-CA 3.49Å; N102-Y109 HydrophobicContact CB-CD1 4.12Å; N102-Y109 HydrophobicContact CB-CE1 3.97Å; P103-Y109 VanDerWaalsContact CD-CZ 3.49Å; P103-Y109 HydrophobicContact CG-CD2 3.89Å; P103-Y109 HydrophobicContact CG-CE1 4.39Å; P103-Y109 HydrophobicContact CG-CE2 3.62Å; P103-Y109 HydrophobicContact CG-CG 4.4Å; Y109-W112 HydrophobicContact CD1-CB 4.25Å; Y109-P135 HydrophobicContact CD1-CB 3.65Å; Y109-P135 HydrophobicContact CD1-CG 4.11Å; Y109-P135 HydrophobicContact CD2-CB 3.74Å; Y109-P135 HydrophobicContact CD2-CG 4.13Å; Y109-P135 HydrophobicContact CE1-CB 3.65Å; Y109-P135 HydrophobicContact CE2-CB 3.74Å; Y109-P135 WeakPolarHBondContact CE2-O 3.47Å; Y109-P135 HydrophobicContact CG-CB 3.69Å; Y109-P135 HydrophobicContact CG-CG 3.86Å; Y109-A149 HydrophobicContact CD1-CB 4.37Å; Y109-A149 HydrophobicContact CE1-CB 3.83Å
110	I	98.2	Very high	96.9	Very high	13 Å²	13	50.8 Å²	50.8	7%	0.067	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-136	136.1	174.8	-46.8	171.5	0	0	0	106.3	G101 D106 K108 W112 E188	G101-I110 PolarHBondContact N-O 3.41Å; G101-I110 PolarHBondContact O-N 3.28Å; G101-I110 VanDerWaalsContact O-N 3.08Å; D106-I110 HydrophobicContact CB-CD1 3.85Å; K108-I110 HydrophobicContact CG-CG1 4.1Å; I110-W112 PolarHBondContact O-N 3.01Å; I110-E188 HydrophobicContact CD1-CB 4.26Å; I110-E188 HydrophobicContact CD1-CG 3.78Å; I110-E188 HydrophobicContact CG1-CG 4.43Å; I110-E188 HydrophobicContact CG2-CG 4.15Å
111	H	98.1	Very high	96.6	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.009	28%	0.283	C	S	.	.	S	Bend	trans	61.3	-39.7	-170.8	-81.1	-92.4	0	0	0	115.6	W99 Y100 D113 H114 D184 G187 H395	W99-H111 VanDerWaalsContact CB-CD2 3.41Å; W99-H111 WeakPolarHBondContact CB-CD2 3.42Å; W99-H111 WeakPolarHBondContact CB-NE2 3.49Å; W99-H111 AromaticContact CD1-CD2 3.82Å; W99-H111 AromaticContact CD1-CG 3.57Å; W99-H111 AromaticContact CD1-ND1 3.79Å; W99-H111 AromaticContact CD2-CD2 3.88Å; W99-H111 AromaticContact CD2-CE1 3.14Å; W99-H111 AromaticContact CD2-CG 3.89Å; W99-H111 AromaticContact CD2-ND1 3.44Å; W99-H111 AromaticContact CD2-NE2 3.44Å; W99-H111 AromaticContact CE2-CE1 3.56Å; W99-H111 AromaticContact CE2-ND1 3.4Å; W99-H111 AromaticContact CE3-CE1 3.2Å; W99-H111 AromaticContact CE3-ND1 3.94Å; W99-H111 AromaticContact CE3-NE2 3.56Å; W99-H111 HydrophobicContact CG-CB 4.45Å; W99-H111 AromaticContact CG-CD2 3.41Å; W99-H111 VanDerWaalsContact CG-CD2 3.41Å; W99-H111 AromaticContact CG-CE1 3.57Å; W99-H111 AromaticContact CG-CG 3.59Å; W99-H111 AromaticContact CG-ND1 3.68Å; W99-H111 AromaticContact CG-NE2 3.42Å; W99-H111 AromaticContact CZ2-CE1 3.97Å; W99-H111 AromaticContact CZ2-ND1 3.84Å; W99-H111 AromaticContact CZ3-CE1 3.7Å; W99-H111 AromaticContact NE1-CG 3.86Å; W99-H111 AromaticContact NE1-ND1 3.66Å; W99-H111 PolarHBondContact O-CD2 3.29Å; Y100-H111 HydrophobicContact CD1-CB 3.73Å; Y100-H111 HydrophobicContact CE1-CB 3.95Å; H111-D113 VanDerWaalsContact C-N 3.26Å; H111-D113 PolarHBondContact O-N 2.71Å; H111-H114 VanDerWaalsContact O-CB 3.3Å; H111-H114 WeakPolarHBondContact O-CB 3.35Å; H111-H114 PolarHBondContact O-N 2.97Å; H111-H114 VanDerWaalsContact O-N 3.16Å; H111-D184 IonicContact CE1-OD1 3.06Å; H111-D184 PolarHBondContact CE1-OD1 2.78Å; H111-D184 IonicContact CE1-OD2 2.58Å; H111-D184 PolarHBondContact CE1-OD2 2.64Å; H111-D184 IonicContact NE2-OD1 3.25Å; H111-D184 IonicContact NE2-OD2 3.4Å; H111-D184 PolarHBondContact NE2-OD2 3.12Å; H111-G187 WeakPolarHBondContact NE2-CA 3.48Å; H111-H395 AromaticContact CG-NE2 3.68Å; H111-H395 AromaticContact ND1-CD2 3.88Å; H111-H395 AromaticContact ND1-NE2 3.12Å; H111-H395 PolarHBondContact ND1-NE2 3.06Å; H111-H395 VanDerWaalsContact ND1-NE2 3.12Å; H111-H395 PolarHBondContact O-CE1 2.95Å
112	W	98.3	Very high	96.3	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-34.4	177.2	-63	123.1	0	0	0	112.8	Y100 Y109 I110 H114 P135 I139 G140 P145 A149 Y150 W394	Y100-W112 AromaticContact CD1-CD2 3.79Å; Y100-W112 HydrophobicContact CD1-CD2 3.79Å; Y100-W112 AromaticContact CD1-CE2 3.45Å; Y100-W112 VanDerWaalsContact CD1-CE2 3.45Å; Y100-W112 HydrophobicContact CD1-CE3 4.04Å; Y100-W112 HydrophobicContact CD1-CG 4.47Å; Y100-W112 AromaticContact CD1-CH2 3.71Å; Y100-W112 HydrophobicContact CD1-CH2 3.71Å; Y100-W112 AromaticContact CD1-CZ2 3.44Å; Y100-W112 HydrophobicContact CD1-CZ2 3.44Å; Y100-W112 VanDerWaalsContact CD1-CZ2 3.44Å; Y100-W112 HydrophobicContact CD1-CZ3 4Å; Y100-W112 AromaticContact CD1-NE1 3.96Å; Y100-W112 HydrophobicContact CD2-CZ2 4.35Å; Y100-W112 HydrophobicContact CE1-CD2 4.36Å; Y100-W112 HydrophobicContact CE1-CE3 4.15Å; Y100-W112 AromaticContact CE1-CH2 3.8Å; Y100-W112 HydrophobicContact CE1-CH2 3.8Å; Y100-W112 HydrophobicContact CE1-CZ2 4.03Å; Y100-W112 AromaticContact CE1-CZ3 3.86Å; Y100-W112 HydrophobicContact CE1-CZ3 3.86Å; Y100-W112 AromaticContact CG-CE2 3.86Å; Y100-W112 HydrophobicContact CG-CH2 4.17Å; Y100-W112 AromaticContact CG-CZ2 3.62Å; Y100-W112 HydrophobicContact CG-CZ2 3.62Å; Y109-W112 HydrophobicContact CD1-CB 4.25Å; I110-W112 PolarHBondContact O-N 3.01Å; W112-H114 PolarHBondContact O-N 3.25Å; W112-P135 VanDerWaalsContact C-CG 3.42Å; W112-P135 HydrophobicContact CB-CB 4.12Å; W112-P135 HydrophobicContact CB-CG 3.54Å; W112-P135 WeakPolarHBondContact O-CG 3.5Å; W112-I139 HydrophobicContact CB-CG2 4.24Å; W112-I139 HydrophobicContact CE3-CB 4.15Å; W112-I139 HydrophobicContact CE3-CD1 3.85Å; W112-I139 HydrophobicContact CE3-CG2 4.39Å; W112-I139 HydrophobicContact CZ3-CD1 3.85Å; W112-I139 CarbonylContact O-C 3.56Å; W112-I139 WeakPolarHBondContact O-CA 3.47Å; W112-G140 PolarHBondContact O-N 2.84Å; W112-P145 HydrophobicContact CH2-CG 3.44Å; W112-P145 VanDerWaalsContact CH2-CG 3.44Å; W112-P145 HydrophobicContact CZ2-CG 4.21Å; W112-P145 HydrophobicContact CZ3-CG 3.88Å; W112-A149 HydrophobicContact CB-CB 4.38Å; W112-A149 HydrophobicContact CD2-CB 4.17Å; W112-A149 HydrophobicContact CG-CB 3.86Å; W112-A149 VanDerWaalsContact NE1-C 3.28Å; W112-Y150 HydrophobicContact CH2-CD1 4.42Å; W112-Y150 AromaticContact CH2-CE1 3.93Å; W112-Y150 HydrophobicContact CH2-CE1 3.93Å; W112-Y150 AromaticContact CZ2-CD1 3.8Å; W112-Y150 HydrophobicContact CZ2-CD1 3.8Å; W112-Y150 HydrophobicContact CZ2-CD2 4.13Å; W112-Y150 AromaticContact CZ2-CE1 3.63Å; W112-Y150 HydrophobicContact CZ2-CE1 3.63Å; W112-Y150 AromaticContact CZ2-CE2 3.93Å; W112-Y150 HydrophobicContact CZ2-CE2 3.93Å; W112-Y150 HydrophobicContact CZ2-CG 4.04Å; W112-Y150 AromaticContact CZ2-CZ 3.67Å; W112-Y150 PolarHBondContact NE1-O 3.26Å; W112-W394 HydrophobicContact CH2-CB 4.31Å; W112-W394 AromaticContact CH2-CD1 3.59Å; W112-W394 HydrophobicContact CH2-CD2 4.45Å; W112-W394 AromaticContact CH2-CG 3.86Å; W112-W394 HydrophobicContact CH2-CG 3.86Å; W112-W394 HydrophobicContact CZ3-CB 3.95Å; W112-W394 AromaticContact CZ3-CG 3.95Å; W112-W394 HydrophobicContact CZ3-CG 3.95Å
113	D	97.4	Very high	96	Very high	29 Å²	29	63.4 Å²	63.4	16%	0.155	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	30	176.8	72.2	-49.7	0	0	0	112.6	H111 R132 P135	H111-D113 VanDerWaalsContact C-N 3.26Å; H111-D113 PolarHBondContact O-N 2.71Å; D113-R132 PolarHBondContact O-NE 3.26Å; D113-R132 IonicContact OD1-NH2 3.24Å; D113-R132 IonicContact OD2-CZ 3.58Å; D113-R132 IonicContact OD2-NE 3.51Å; D113-R132 PolarHBondContact OD2-NE 3.01Å; D113-R132 IonicContact OD2-NH2 3.65Å; D113-R132 PolarHBondContact OD2-NH2 3.15Å; D113-P135 HydrophobicContact CB-CG 3.98Å
114	H	97.6	Very high	95.7	Very high	14 Å²	14	62.3 Å²	62.3	7%	0.065	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-51.1	142.5	-175.7	-156	-83.1	0	0	0	112	H111 W112 H133 N186 V354	H111-H114 VanDerWaalsContact O-CB 3.3Å; H111-H114 WeakPolarHBondContact O-CB 3.35Å; H111-H114 PolarHBondContact O-N 2.97Å; H111-H114 VanDerWaalsContact O-N 3.16Å; W112-H114 PolarHBondContact O-N 3.25Å; H114-H133 PolarHBondContact O-CD2 3.18Å; H114-H133 PolarHBondContact O-N 3.36Å; H114-H133 VanDerWaalsContact O-N 3.12Å; H114-N186 PolarHBondContact NE2-ND2 3.16Å; H114-V354 HydrophobicContact CB-CG1 3.84Å; H114-V354 WeakPolarHBondContact ND1-CG1 3.23Å
115	P	96.3	Very high	95.3	Very high	26 Å²	26	56.8 Å²	56.8	17%	0.169	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-72.3	149.4	168.7	29.6	-34.7	0	0	0	112.2	L117 G131 R132 N186	P115-L117 HydrophobicContact CG-CD2 4.37Å; P115-L117 PolarHBondContact O-N 2.88Å; P115-G131 CarbonylContact C-O 3.5Å; P115-G131 VanDerWaalsContact CA-O 3.29Å; P115-G131 WeakPolarHBondContact CA-O 3.46Å; P115-R132 HydrophobicContact CB-CG 4.07Å; P115-N186 WeakPolarHBondContact CD-OD1 3.41Å; P115-N186 WeakPolarHBondContact CG-OD1 3.45Å
116	Q	94.8	Very high	95	Very high	43 Å²	43	60.1 Å²	60.1	20%	0.201	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-73.5	119.1	164.2	-63.4	-178.3	-55.3	0	0	108.6	P129 G131 S353	Q116-P129 VanDerWaalsContact OE1-C 3.25Å; Q116-P129 PolarHBondContact OE1-O 3.46Å; Q116-G131 PolarHBondContact N-O 2.97Å; Q116-S353 WeakPolarHBondContact CG-O 3.5Å; Q116-S353 PolarHBondContact NE2-O 2.89Å
117	L	94.4	Very high	94.7	Very high	51 Å²	51	66 Å²	66	27%	0.267	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-78	126.7	-174.1	-62	179.5	0	0	0	110.3	P115 V354 R355 W357	P115-L117 HydrophobicContact CG-CD2 4.37Å; P115-L117 PolarHBondContact O-N 2.88Å; L117-V354 PolarHBondContact N-O 3.27Å; L117-R355 HydrophobicContact CB-CG 4.35Å; L117-R355 HydrophobicContact CD1-CG 4.06Å; L117-W357 PolarHBondContact O-NE1 3.49Å
118	P	92.9	Very high	94.3	Very high	87 Å²	87	65.9 Å²	65.9	57%	0.565	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-65.7	148.1	178.9	28.8	-34.5	0	0	0	110.4	A125	P118-A125 HydrophobicContact CB-CB 4.11Å
119	H	93.6	Very high	93.6	Very high	33 Å²	33	64.8 Å²	64.8	15%	0.153	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-65.2	146.5	165.8	-173.2	-90.5	0	0	0	109.3	D121 V124 A125 W357	H119-D121 VanDerWaalsContact C-N 3.25Å; H119-D121 VanDerWaalsContact ND1-CB 3.34Å; H119-D121 WeakPolarHBondContact ND1-CB 3.23Å; H119-D121 PolarHBondContact ND1-N 2.86Å; H119-D121 PolarHBondContact O-N 3.46Å; H119-V124 HydrophobicContact CB-CB 4.2Å; H119-V124 HydrophobicContact CB-CG1 3.94Å; H119-A125 HydrophobicContact CB-CB 4.26Å; H119-W357 HydrophobicContact CB-CB 4.41Å; H119-W357 HydrophobicContact CB-CD2 4.33Å; H119-W357 HydrophobicContact CB-CG 3.91Å; H119-W357 AromaticContact CD2-CD2 3.67Å; H119-W357 AromaticContact CD2-CE3 3.81Å; H119-W357 AromaticContact CD2-CG 3.72Å
120	W	91.5	Very high	92.9	Very high	217 Å²	217	68.3 Å²	68.3	82%	0.822	34%	0.342	S	S	*	.	S	Bend	trans	-64.1	-29.4	-178.1	59.6	-91.5	0	0	0	113
121	D	92.6	Very high	92.6	Very high	58 Å²	58	69.5 Å²	69.5	31%	0.31	36%	0.357	S	S	.	.	S	Bend	trans	-80.3	114.2	165.9	-173.1	-31.2	0	0	0	110	H119 K123 V124 A125	H119-D121 VanDerWaalsContact C-N 3.25Å; H119-D121 VanDerWaalsContact ND1-CB 3.34Å; H119-D121 WeakPolarHBondContact ND1-CB 3.23Å; H119-D121 PolarHBondContact ND1-N 2.86Å; H119-D121 PolarHBondContact O-N 3.46Å; D121-K123 PolarHBondContact O-N 2.98Å; D121-K123 WeakPolarHBondContact OD1-CB 3.28Å; D121-K123 PolarHBondContact OD1-N 3.14Å; D121-V124 HydrophobicContact CB-CB 4.2Å; D121-V124 HydrophobicContact CB-CG2 3.95Å; D121-V124 PolarHBondContact O-N 3.41Å; D121-V124 VanDerWaalsContact O-N 3.16Å; D121-A125 PolarHBondContact O-N 3.09Å
122	A	91.9	Very high	92.4	Very high	69 Å²	69	75.8 Å²	75.8	57%	0.57	38%	0.381	S	S	*	.	H	α-helix	trans	-59.8	-28.2	-178.3	0	0	0	0	0	114.1	Q126	A122-Q126 WeakPolarHBondContact O-CG 3.45Å; A122-Q126 PolarHBondContact O-N 3.05Å
123	K	92.4	Very high	92.3	Very high	161 Å²	161	76.7 Å²	76.7	70%	0.7	39%	0.385	S	S	*	.	H	α-helix	trans	-71.9	-44.3	176.6	-68.2	-178.9	178.3	177.9	0	110.8	D121 A125 Q126	D121-K123 PolarHBondContact O-N 2.98Å; D121-K123 WeakPolarHBondContact OD1-CB 3.28Å; D121-K123 PolarHBondContact OD1-N 3.14Å; K123-A125 VanDerWaalsContact C-N 3.3Å; K123-A125 PolarHBondContact O-N 3.36Å; K123-Q126 PolarHBondContact O-N 3.36Å
124	V	90.9	Very high	92.2	Very high	38 Å²	38	83.1 Å²	83.1	23%	0.23	41%	0.412	C	S	.	.	H	α-helix	trans	-64.9	-38.5	175.5	179.3	0	0	0	0	110.3	H119 D121 Q126 E127 Y128	H119-V124 HydrophobicContact CB-CB 4.2Å; H119-V124 HydrophobicContact CB-CG1 3.94Å; D121-V124 HydrophobicContact CB-CB 4.2Å; D121-V124 HydrophobicContact CB-CG2 3.95Å; D121-V124 PolarHBondContact O-N 3.41Å; D121-V124 VanDerWaalsContact O-N 3.16Å; V124-Q126 PolarHBondContact O-N 3.42Å; V124-E127 WeakPolarHBondContact O-CB 3.36Å; V124-E127 PolarHBondContact O-N 3.24Å; V124-Y128 HydrophobicContact CG1-CD2 4.21Å; V124-Y128 HydrophobicContact CG1-CE2 3.7Å; V124-Y128 WeakPolarHBondContact O-CD2 3.42Å
125	A	90.5	Very high	92.2	Very high	7 Å²	7	83.4 Å²	83.4	6%	0.058	42%	0.415	C	S	.	.	H	α-helix	trans	-61	-25.5	179.1	0	0	0	0	0	114	P118 H119 D121 K123 E127 Q130	P118-A125 HydrophobicContact CB-CB 4.11Å; H119-A125 HydrophobicContact CB-CB 4.26Å; D121-A125 PolarHBondContact O-N 3.09Å; K123-A125 VanDerWaalsContact C-N 3.3Å; K123-A125 PolarHBondContact O-N 3.36Å; A125-E127 VanDerWaalsContact C-N 3.27Å; A125-E127 PolarHBondContact O-N 3.33Å; A125-Q130 PolarHBondContact O-NE2 2.97Å
126	Q	90.8	Very high	92.1	Very high	160 Å²	160	85 Å²	85	75%	0.748	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-18	176	-70.3	173.4	8.9	0	0	113	A122 K123 V124 Y128	A122-Q126 WeakPolarHBondContact O-CG 3.45Å; A122-Q126 PolarHBondContact O-N 3.05Å; K123-Q126 PolarHBondContact O-N 3.36Å; V124-Q126 PolarHBondContact O-N 3.42Å; Q126-Y128 VanDerWaalsContact C-N 3.34Å
127	E	91.6	Very high	92.1	Very high	150 Å²	150	87.3 Å²	87.3	70%	0.701	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-11.6	179.9	-59.2	-179.1	-173.4	0	0	112.7	V124 A125	V124-E127 WeakPolarHBondContact O-CB 3.36Å; V124-E127 PolarHBondContact O-N 3.24Å; A125-E127 VanDerWaalsContact C-N 3.27Å; A125-E127 PolarHBondContact O-N 3.33Å
128	Y	89.2	Confident	92.2	Very high	64 Å²	64	86.5 Å²	86.5	25%	0.251	44%	0.435	S	S	.	.	S	Bend	trans	-112.9	150.9	-176.1	-68	-71.3	0	0	0	112.4	V124 Q126 P356 W357	V124-Y128 HydrophobicContact CG1-CD2 4.21Å; V124-Y128 HydrophobicContact CG1-CE2 3.7Å; V124-Y128 WeakPolarHBondContact O-CD2 3.42Å; Q126-Y128 VanDerWaalsContact C-N 3.34Å; Y128-P356 HydrophobicContact CD1-CB 3.43Å; Y128-P356 VanDerWaalsContact CD1-CB 3.43Å; Y128-P356 HydrophobicContact CE1-CB 4.13Å; Y128-P356 WeakPolarHBondContact CE1-O 3.43Å; Y128-P356 HydrophobicContact CG-CB 3.92Å; Y128-W357 HydrophobicContact CD2-CB 3.97Å; Y128-W357 HydrophobicContact CE1-CB 4.48Å; Y128-W357 HydrophobicContact CE2-CB 3.53Å
129	P	83.9	Confident	92.4	Very high	82 Å²	82	82.4 Å²	82.4	53%	0.532	41%	0.408	S	S	.	.			trans	-53.3	140.4	172.4	-27.2	36.7	0	0	0	112.2	Q116	Q116-P129 VanDerWaalsContact OE1-C 3.25Å; Q116-P129 PolarHBondContact OE1-O 3.46Å
130	Q	83.9	Confident	92.6	Very high	130 Å²	130	80.8 Å²	80.8	61%	0.607	40%	0.401	S	S	*	.			trans	-127.1	133.9	174.5	-60.7	-171.3	-0.3	0	0	108.6	A125	A125-Q130 PolarHBondContact O-NE2 2.97Å
131	G	91	Very high	92.9	Very high	38 Å²	38	70.7 Å²	70.7	39%	0.392	36%	0.363	S	S	.	.	S	Bend	trans	158	-176.8	-178.6	0	0	0	0	0	112	P115 Q116	P115-G131 CarbonylContact C-O 3.5Å; P115-G131 VanDerWaalsContact CA-O 3.29Å; P115-G131 WeakPolarHBondContact CA-O 3.46Å; Q116-G131 PolarHBondContact N-O 2.97Å
132	R	94.9	Very high	93.1	Very high	135 Å²	135	69.1 Å²	69.1	51%	0.509	36%	0.355	S	S	.	.	B	Isolated β-bridge	trans	-109.6	141.1	170.3	-68.4	-179.6	82.1	111.1	-4.2	109.1	D113 P115	D113-R132 PolarHBondContact O-NE 3.26Å; D113-R132 IonicContact OD1-NH2 3.24Å; D113-R132 IonicContact OD2-CZ 3.58Å; D113-R132 IonicContact OD2-NE 3.51Å; D113-R132 PolarHBondContact OD2-NE 3.01Å; D113-R132 IonicContact OD2-NH2 3.65Å; D113-R132 PolarHBondContact OD2-NH2 3.15Å; P115-R132 HydrophobicContact CB-CG 4.07Å
133	H	95.9	Very high	93.4	Very high	19 Å²	19	66.5 Å²	66.5	9%	0.088	33%	0.331	C	S	.	.			trans	-61.4	153.3	170.5	-72.7	-80.4	0	0	0	111	H114 P135 D138 I139 G140 S353	H114-H133 PolarHBondContact O-CD2 3.18Å; H114-H133 PolarHBondContact O-N 3.36Å; H114-H133 VanDerWaalsContact O-N 3.12Å; H133-P135 WeakPolarHBondContact O-CD 3.49Å; H133-D138 VanDerWaalsContact CA-OD2 3.32Å; H133-D138 WeakPolarHBondContact CA-OD2 3.34Å; H133-D138 IonicContact CE1-OD1 2.79Å; H133-D138 IonicContact CG-OD1 3.04Å; H133-D138 IonicContact ND1-OD1 3.51Å; H133-D138 PolarHBondContact ND1-OD1 2.64Å; H133-D138 IonicContact ND1-OD2 2.78Å; H133-I139 PolarHBondContact ND1-O 3.06Å; H133-G140 WeakPolarHBondContact CD2-CA 3.33Å; H133-S353 PolarHBondContact NE2-O 2.96Å
134	K	95.9	Very high	93.7	Very high	164 Å²	164	59.5 Å²	59.5	71%	0.713	30%	0.3	S	S	*	.			trans	-119.3	84.3	-177.8	-63.9	-179	-176	175.8	0	112.8	D138	K134-D138 CarbonylContact C-O 3.56Å; K134-D138 WeakPolarHBondContact CA-O 3.47Å; K134-D138 HydrophobicContact CB-CB 4.42Å; K134-D138 PolarHBondContact N-O 3.39Å; K134-D138 PolarHBondContact N-OD2 3.31Å; K134-D138 PolarHBondContact O-N 3.4Å
135	P	96.7	Very high	94.1	Very high	20 Å²	20	57.7 Å²	57.7	13%	0.13	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	154.4	178.9	-21.8	33.2	0	0	0	112.1	Y109 W112 D113 H133 D138 I139 A149	Y109-P135 HydrophobicContact CD1-CB 3.65Å; Y109-P135 HydrophobicContact CD1-CG 4.11Å; Y109-P135 HydrophobicContact CD2-CB 3.74Å; Y109-P135 HydrophobicContact CD2-CG 4.13Å; Y109-P135 HydrophobicContact CE1-CB 3.65Å; Y109-P135 HydrophobicContact CE2-CB 3.74Å; Y109-P135 WeakPolarHBondContact CE2-O 3.47Å; Y109-P135 HydrophobicContact CG-CB 3.69Å; Y109-P135 HydrophobicContact CG-CG 3.86Å; W112-P135 VanDerWaalsContact C-CG 3.42Å; W112-P135 HydrophobicContact CB-CB 4.12Å; W112-P135 HydrophobicContact CB-CG 3.54Å; W112-P135 WeakPolarHBondContact O-CG 3.5Å; D113-P135 HydrophobicContact CB-CG 3.98Å; H133-P135 WeakPolarHBondContact O-CD 3.49Å; P135-D138 WeakPolarHBondContact CA-O 3.24Å; P135-D138 WeakPolarHBondContact CD-O 3.35Å; P135-I139 HydrophobicContact CB-CG2 3.98Å; P135-I139 HydrophobicContact CG-CG2 4.13Å; P135-A149 HydrophobicContact CB-CB 4.38Å
136	P	95.8	Very high	94.5	Very high	60 Å²	60	59.6 Å²	59.6	39%	0.39	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	cis	-88.9	-13.6	12.3	34.1	-35.2	0	0	0	114.8	Y144 A149	P136-Y144 VanDerWaalsContact O-CE2 3.24Å; P136-Y144 WeakPolarHBondContact O-CE2 3.06Å; P136-Y144 PolarHBondContact O-OH 3.27Å; P136-A149 HydrophobicContact CB-CB 4.49Å
137	D	94.5	Very high	94.9	Very high	90 Å²	90	55.1 Å²	55.1	48%	0.481	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-27.9	-171.9	-69.6	-39.3	0	0	0	114.1	K406 Y412	D137-K406 WeakPolarHBondContact OD1-CE 3.39Å; D137-K406 IonicContact OD1-NZ 3.85Å; D137-K406 PolarHBondContact OD1-NZ 3.23Å; D137-Y412 WeakPolarHBondContact O-CE2 3.31Å; D137-Y412 PolarHBondContact O-OH 3.18Å
138	D	95.7	Very high	95.2	Very high	34 Å²	34	48.7 Å²	48.7	18%	0.182	26%	0.257	C	S	.	.	S	Bend	trans	-116.3	103	175.2	171.8	37.4	0	0	0	108.8	H133 K134 P135 Y412	H133-D138 VanDerWaalsContact CA-OD2 3.32Å; H133-D138 WeakPolarHBondContact CA-OD2 3.34Å; H133-D138 IonicContact CE1-OD1 2.79Å; H133-D138 IonicContact CG-OD1 3.04Å; H133-D138 IonicContact ND1-OD1 3.51Å; H133-D138 PolarHBondContact ND1-OD1 2.64Å; H133-D138 IonicContact ND1-OD2 2.78Å; K134-D138 CarbonylContact C-O 3.56Å; K134-D138 WeakPolarHBondContact CA-O 3.47Å; K134-D138 HydrophobicContact CB-CB 4.42Å; K134-D138 PolarHBondContact N-O 3.39Å; K134-D138 PolarHBondContact N-OD2 3.31Å; K134-D138 PolarHBondContact O-N 3.4Å; P135-D138 WeakPolarHBondContact CA-O 3.24Å; P135-D138 WeakPolarHBondContact CD-O 3.35Å; D138-Y412 WeakPolarHBondContact CA-OH 3.3Å
139	I	97.4	Very high	95.6	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	25%	0.25	C	S	.	.			trans	-114.3	155	-179.5	62.5	164.7	0	0	0	110.2	W112 H133 P135 A141 Y144 A149 Y412	W112-I139 HydrophobicContact CB-CG2 4.24Å; W112-I139 HydrophobicContact CE3-CB 4.15Å; W112-I139 HydrophobicContact CE3-CD1 3.85Å; W112-I139 HydrophobicContact CE3-CG2 4.39Å; W112-I139 HydrophobicContact CZ3-CD1 3.85Å; W112-I139 CarbonylContact O-C 3.56Å; W112-I139 WeakPolarHBondContact O-CA 3.47Å; H133-I139 PolarHBondContact ND1-O 3.06Å; P135-I139 HydrophobicContact CB-CG2 3.98Å; P135-I139 HydrophobicContact CG-CG2 4.13Å; I139-A141 HydrophobicContact CD1-CB 3.92Å; I139-A141 HydrophobicContact CG1-CB 4.19Å; I139-A141 PolarHBondContact O-N 2.88Å; I139-Y144 HydrophobicContact CD1-CD2 3.56Å; I139-Y144 HydrophobicContact CD1-CE2 3.83Å; I139-Y144 HydrophobicContact CD1-CG 4.41Å; I139-Y144 HydrophobicContact CG1-CD2 3.88Å; I139-Y144 HydrophobicContact CG1-CE2 4Å; I139-Y144 HydrophobicContact CG2-CE2 4.12Å; I139-A149 HydrophobicContact CG2-CB 4.21Å; I139-Y412 HydrophobicContact CD1-CE1 4.32Å; I139-Y412 HydrophobicContact CG1-CE1 3.65Å; I139-Y412 WeakPolarHBondContact CG1-OH 3.13Å; I139-Y412 PolarHBondContact N-OH 3.27Å
140	G	97.1	Very high	96.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.226	C	C	.	.	S	Bend	trans	-71	50.5	175.8	0	0	0	0	0	114.4	W112 H133 V354 H395	W112-G140 PolarHBondContact O-N 2.84Å; H133-G140 WeakPolarHBondContact CD2-CA 3.33Å; G140-V354 WeakPolarHBondContact O-CG1 3.45Å; G140-H395 PolarHBondContact O-ND1 3.42Å
141	A	97.6	Very high	97	Very high	4 Å²	4	36.4 Å²	36.4	3%	0.033	20%	0.197	C	C	.	.	S	Bend	trans	-148.2	151.9	178.7	0	0	0	0	0	110.9	I139 Y143 S353 W394 Y412	I139-A141 HydrophobicContact CD1-CB 3.92Å; I139-A141 HydrophobicContact CG1-CB 4.19Å; I139-A141 PolarHBondContact O-N 2.88Å; A141-Y143 WeakPolarHBondContact CB-O 3.41Å; A141-S353 VanDerWaalsContact CA-OG 3.29Å; A141-S353 WeakPolarHBondContact CA-OG 3.43Å; A141-S353 PolarHBondContact N-OG 3.43Å; A141-W394 HydrophobicContact CB-CB 3.95Å; A141-W394 WeakPolarHBondContact CB-O 3.45Å; A141-Y412 VanDerWaalsContact O-CE1 3.3Å; A141-Y412 WeakPolarHBondContact O-CE1 3.41Å
142	N	98.1	Very high	97.4	Very high	26 Å²	26	34.6 Å²	34.6	14%	0.139	18%	0.178	C	C	.	.	S	Bend	trans	-84.1	-14.3	174.9	-71.2	92.3	0	0	0	113.6	I350 T352 S353 L413	N142-I350 HydrophobicContact CB-CD1 4.17Å; N142-I350 HydrophobicContact CB-CG1 4.21Å; N142-I350 HydrophobicContact CB-CG2 3.8Å; N142-I350 PolarHBondContact OD1-O 3.06Å; N142-T352 PolarHBondContact ND2-OG1 2.78Å; N142-T352 PolarHBondContact OD1-N 2.65Å; N142-S353 PolarHBondContact OD1-N 3.2Å; N142-S353 VanDerWaalsContact OD1-N 3.11Å; N142-S353 PolarHBondContact OD1-OG 2.97Å; N142-L413 HydrophobicContact CB-CD1 4.49Å; N142-L413 WeakPolarHBondContact O-CB 3.44Å; N142-L413 PolarHBondContact O-N 3.45Å
143	Y	98.5	Very high	97.5	Very high	14 Å²	14	32.8 Å²	32.8	6%	0.055	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-119.6	160.3	174.2	-67	-97.6	0	0	0	109.5	A141 I350 R365 Q399 A403 L413 Y415	A141-Y143 WeakPolarHBondContact CB-O 3.41Å; Y143-I350 HydrophobicContact CD2-CG2 4.37Å; Y143-I350 HydrophobicContact CE2-CG2 3.68Å; Y143-R365 PolarHBondContact OH-NE 2.96Å; Y143-Q399 VanDerWaalsContact CB-NE2 3.26Å; Y143-Q399 VanDerWaalsContact CG-NE2 3.28Å; Y143-A403 HydrophobicContact CD1-CB 4.43Å; Y143-L413 VanDerWaalsContact CD1-C 3.41Å; Y143-L413 HydrophobicContact CD1-CB 3.72Å; Y143-L413 WeakPolarHBondContact CD1-O 3.17Å; Y143-L413 HydrophobicContact CD2-CB 4.32Å; Y143-L413 HydrophobicContact CE1-CB 3.45Å; Y143-L413 VanDerWaalsContact CE1-CB 3.45Å; Y143-L413 HydrophobicContact CE2-CB 4.08Å; Y143-L413 HydrophobicContact CE2-CD1 4.03Å; Y143-L413 HydrophobicContact CG-CB 4.13Å; Y143-Y415 HydrophobicContact CD1-CD1 4.07Å; Y143-Y415 AromaticContact CD1-CE1 3.63Å; Y143-Y415 HydrophobicContact CD1-CE1 3.63Å; Y143-Y415 AromaticContact CE1-CD1 3.9Å; Y143-Y415 HydrophobicContact CE1-CD1 3.9Å; Y143-Y415 AromaticContact CE1-CE1 3.69Å; Y143-Y415 HydrophobicContact CE1-CE1 3.69Å
144	Y	98.5	Very high	97.6	Very high	14 Å²	14	33.2 Å²	33.2	6%	0.055	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	126.7	178.5	-156.6	-94	0	0	0	112.5	P136 I139 A403 I404 K406 Y412	P136-Y144 VanDerWaalsContact O-CE2 3.24Å; P136-Y144 WeakPolarHBondContact O-CE2 3.06Å; P136-Y144 PolarHBondContact O-OH 3.27Å; I139-Y144 HydrophobicContact CD1-CD2 3.56Å; I139-Y144 HydrophobicContact CD1-CE2 3.83Å; I139-Y144 HydrophobicContact CD1-CG 4.41Å; I139-Y144 HydrophobicContact CG1-CD2 3.88Å; I139-Y144 HydrophobicContact CG1-CE2 4Å; I139-Y144 HydrophobicContact CG2-CE2 4.12Å; Y144-A403 VanDerWaalsContact O-CA 3.24Å; Y144-A403 WeakPolarHBondContact O-CA 3.16Å; Y144-A403 WeakPolarHBondContact O-CB 3.39Å; Y144-I404 HydrophobicContact CD1-CD1 4.43Å; Y144-I404 HydrophobicContact CD1-CG1 4.29Å; Y144-I404 PolarHBondContact O-N 3.35Å; Y144-K406 HydrophobicContact CD1-CB 4.3Å; Y144-K406 HydrophobicContact CD1-CD 3.47Å; Y144-K406 VanDerWaalsContact CD1-CD 3.47Å; Y144-K406 HydrophobicContact CD1-CG 4.5Å; Y144-K406 HydrophobicContact CD2-CD 3.43Å; Y144-K406 VanDerWaalsContact CD2-CD 3.43Å; Y144-K406 HydrophobicContact CE1-CD 3.46Å; Y144-K406 VanDerWaalsContact CE1-CD 3.46Å; Y144-K406 HydrophobicContact CE2-CD 3.42Å; Y144-K406 VanDerWaalsContact CE2-CD 3.42Å; Y144-K406 HydrophobicContact CG-CB 4.06Å; Y144-K406 HydrophobicContact CG-CD 3.42Å; Y144-K406 VanDerWaalsContact CG-CD 3.42Å; Y144-K406 HydrophobicContact CG-CG 4.38Å; Y144-K406 VanDerWaalsContact CZ-CD 3.42Å; Y144-K406 VanDerWaalsContact CZ-CE 3.49Å; Y144-K406 PolarHBondContact OH-NZ 2.93Å; Y144-Y412 HydrophobicContact CD2-CD1 4.28Å; Y144-Y412 HydrophobicContact CD2-CD2 4.37Å; Y144-Y412 AromaticContact CD2-CE1 3.95Å; Y144-Y412 HydrophobicContact CD2-CE1 3.95Å; Y144-Y412 HydrophobicContact CD2-CE2 4.04Å; Y144-Y412 HydrophobicContact CD2-CG 4.48Å; Y144-Y412 AromaticContact CD2-CZ 3.81Å
145	P	98.7	Very high	97.7	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	142.5	179.1	-14.9	24.2	0	0	0	112.9	W112 L147 G148 Y150 W394	W112-P145 HydrophobicContact CH2-CG 3.44Å; W112-P145 VanDerWaalsContact CH2-CG 3.44Å; W112-P145 HydrophobicContact CZ2-CG 4.21Å; W112-P145 HydrophobicContact CZ3-CG 3.88Å; P145-L147 PolarHBondContact O-N 2.82Å; P145-G148 WeakPolarHBondContact CB-O 3.42Å; P145-G148 WeakPolarHBondContact CG-O 3.43Å; P145-G148 PolarHBondContact O-N 3Å; P145-Y150 HydrophobicContact CB-CD1 4.22Å; P145-Y150 HydrophobicContact CB-CE1 4.06Å; P145-Y150 HydrophobicContact CG-CE1 4.28Å; P145-W394 HydrophobicContact CB-CH2 3.83Å; P145-W394 HydrophobicContact CB-CZ2 3.5Å; P145-W394 HydrophobicContact CB-CZ3 4.41Å; P145-W394 HydrophobicContact CG-CD2 3.81Å; P145-W394 HydrophobicContact CG-CE3 4.04Å; P145-W394 HydrophobicContact CG-CG 4.43Å; P145-W394 HydrophobicContact CG-CH2 4Å; P145-W394 HydrophobicContact CG-CZ2 3.7Å; P145-W394 HydrophobicContact CG-CZ3 4.12Å
146	S	98.6	Very high	97.8	Very high	47 Å²	47	31.6 Å²	31.6	33%	0.329	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-28	172.6	77.1	0	0	0	0	112.6	G148 T402	S146-G148 VanDerWaalsContact C-N 3.27Å; S146-T402 WeakPolarHBondContact CB-O 3.08Å; S146-T402 WeakPolarHBondContact CB-OG1 3.31Å; S146-T402 PolarHBondContact N-O 2.9Å; S146-T402 PolarHBondContact OG-OG1 3.31Å
147	L	98.6	Very high	98	Very high	65 Å²	65	29 Å²	29	34%	0.34	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	0.8	175.7	-62	176.1	0	0	0	113	P145 Y150 V157 A160	P145-L147 PolarHBondContact O-N 2.82Å; L147-Y150 HydrophobicContact CB-CD1 3.82Å; L147-Y150 HydrophobicContact CB-CG 4.46Å; L147-V157 HydrophobicContact CD1-CG1 4.27Å; L147-A160 HydrophobicContact CD1-CB 4.02Å; L147-A160 HydrophobicContact CD2-CB 4.26Å
148	G	98.2	Very high	98.2	Very high	16 Å²	16	24.9 Å²	24.9	17%	0.165	14%	0.143	C	C	.	.			trans	71.2	-164.2	-176.1	0	0	0	0	0	113.6	P145 S146 Y150	P145-G148 WeakPolarHBondContact CB-O 3.42Å; P145-G148 WeakPolarHBondContact CG-O 3.43Å; P145-G148 PolarHBondContact O-N 3Å; S146-G148 VanDerWaalsContact C-N 3.27Å; G148-Y150 VanDerWaalsContact O-CD1 3.25Å; G148-Y150 WeakPolarHBondContact O-CD1 3.46Å; G148-Y150 PolarHBondContact O-N 2.96Å
149	A	98.1	Very high	98.3	Very high	13 Å²	13	24.7 Å²	24.7	11%	0.107	14%	0.142	C	C	.	.	S	Bend	trans	-73.4	72.3	173.5	0	0	0	0	0	110.3	N102 Y109 W112 P135 P136 I139	N102-A149 WeakPolarHBondContact CB-O 3.33Å; Y109-A149 HydrophobicContact CD1-CB 4.37Å; Y109-A149 HydrophobicContact CE1-CB 3.83Å; W112-A149 HydrophobicContact CB-CB 4.38Å; W112-A149 HydrophobicContact CD2-CB 4.17Å; W112-A149 HydrophobicContact CG-CB 3.86Å; W112-A149 VanDerWaalsContact NE1-C 3.28Å; P135-A149 HydrophobicContact CB-CB 4.38Å; P136-A149 HydrophobicContact CB-CB 4.49Å; I139-A149 HydrophobicContact CG2-CB 4.21Å
150	Y	98.8	Very high	98.4	Very high	5 Å²	5	25.7 Å²	25.7	2%	0.02	15%	0.15	C	C	.	.			trans	-74.9	165.3	-170.3	61.3	-109.5	0	0	0	113.3	Y100 W112 P145 L147 G148 V157 H161 N392 W394 E401	Y100-Y150 AromaticContact CD2-CE2 3.62Å; Y100-Y150 HydrophobicContact CD2-CE2 3.62Å; Y100-Y150 AromaticContact CD2-CZ 3.81Å; Y100-Y150 VanDerWaalsContact CD2-OH 3.26Å; Y100-Y150 WeakPolarHBondContact CD2-OH 3.46Å; Y100-Y150 WeakPolarHBondContact CE2-OH 3.5Å; Y100-Y150 AromaticContact CG-CE2 3.83Å; Y100-Y150 HydrophobicContact CG-CE2 3.83Å; W112-Y150 HydrophobicContact CH2-CD1 4.42Å; W112-Y150 AromaticContact CH2-CE1 3.93Å; W112-Y150 HydrophobicContact CH2-CE1 3.93Å; W112-Y150 AromaticContact CZ2-CD1 3.8Å; W112-Y150 HydrophobicContact CZ2-CD1 3.8Å; W112-Y150 HydrophobicContact CZ2-CD2 4.13Å; W112-Y150 AromaticContact CZ2-CE1 3.63Å; W112-Y150 HydrophobicContact CZ2-CE1 3.63Å; W112-Y150 AromaticContact CZ2-CE2 3.93Å; W112-Y150 HydrophobicContact CZ2-CE2 3.93Å; W112-Y150 HydrophobicContact CZ2-CG 4.04Å; W112-Y150 AromaticContact CZ2-CZ 3.67Å; W112-Y150 PolarHBondContact NE1-O 3.26Å; P145-Y150 HydrophobicContact CB-CD1 4.22Å; P145-Y150 HydrophobicContact CB-CE1 4.06Å; P145-Y150 HydrophobicContact CG-CE1 4.28Å; L147-Y150 HydrophobicContact CB-CD1 3.82Å; L147-Y150 HydrophobicContact CB-CG 4.46Å; G148-Y150 VanDerWaalsContact O-CD1 3.25Å; G148-Y150 WeakPolarHBondContact O-CD1 3.46Å; G148-Y150 PolarHBondContact O-N 2.96Å; Y150-V157 HydrophobicContact CD2-CG1 3.68Å; Y150-V157 HydrophobicContact CE2-CG1 4.17Å; Y150-V157 HydrophobicContact CG-CG1 3.96Å; Y150-V157 HydrophobicContact CG-CG2 4.37Å; Y150-H161 AromaticContact CE2-CE1 3.87Å; Y150-H161 AromaticContact CZ-CE1 3.79Å; Y150-H161 AromaticContact CZ-NE2 3.93Å; Y150-N392 PolarHBondContact OH-ND2 3.32Å; Y150-W394 AromaticContact CE1-NE1 3.99Å; Y150-W394 PolarHBondContact OH-NE1 2.97Å; Y150-E401 WeakPolarHBondContact CE1-OE1 3.36Å; Y150-E401 PolarHBondContact OH-OE2 2.75Å
151	S	98.8	Very high	98.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.15	C	C	.	.			trans	-97.5	135.4	164	177.5	0	0	0	0	109.4	N102 F105 D106 R153 D154	N102-S151 PolarHBondContact ND2-N 3.39Å; F105-S151 WeakPolarHBondContact CB-OG 3.42Å; D106-S151 WeakPolarHBondContact OD2-CB 3.46Å; D106-S151 PolarHBondContact OD2-OG 3.18Å; S151-R153 PolarHBondContact O-N 2.92Å; S151-R153 PolarHBondContact OG-N 3.08Å; S151-R153 VanDerWaalsContact OG-N 3.14Å; S151-D154 WeakPolarHBondContact O-CB 3.32Å; S151-D154 PolarHBondContact O-N 3.33Å
152	S	98.6	Very high	98.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-27.2	173	-52.3	0	0	0	0	110.9	V98 Y100 D154 L158 I193	V98-S152 WeakPolarHBondContact O-CB 3.49Å; V98-S152 PolarHBondContact O-OG 3.34Å; Y100-S152 WeakPolarHBondContact CB-OG 3.35Å; Y100-S152 PolarHBondContact N-OG 3.22Å; Y100-S152 WeakPolarHBondContact O-CB 3.44Å; Y100-S152 PolarHBondContact O-N 3.36Å; Y100-S152 PolarHBondContact O-OG 2.98Å; S152-D154 VanDerWaalsContact C-N 3.28Å; S152-D154 PolarHBondContact O-N 3.18Å; S152-L158 WeakPolarHBondContact O-CD2 3.41Å; S152-L158 WeakPolarHBondContact O-CG 3.48Å; S152-I193 WeakPolarHBondContact O-CD1 3.29Å
153	R	97.4	Very high	98.5	Very high	97 Å²	97	27.6 Å²	27.6	37%	0.366	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-7.7	179.5	-62.3	-175.4	177.6	142	-10.7	113.5	D106 S151 P155 I193	D106-R153 WeakPolarHBondContact OD1-CD 3.39Å; D106-R153 IonicContact OD1-CZ 2.75Å; D106-R153 IonicContact OD1-NE 3.66Å; D106-R153 IonicContact OD1-NH1 3.76Å; D106-R153 PolarHBondContact OD1-NH1 3.36Å; S151-R153 PolarHBondContact O-N 2.92Å; S151-R153 PolarHBondContact OG-N 3.08Å; S151-R153 VanDerWaalsContact OG-N 3.14Å; R153-P155 VanDerWaalsContact O-CD 3.31Å; R153-P155 WeakPolarHBondContact O-CD 3.34Å; R153-I193 HydrophobicContact CG-CD1 4.14Å; R153-I193 HydrophobicContact CG-CG1 4.44Å
154	D	98.4	Very high	98.5	Very high	27 Å²	27	27.8 Å²	27.8	14%	0.144	16%	0.159	C	C	.	.			trans	-71.9	117.8	175.3	-176.5	-19.5	0	0	0	110.1	F105 S151 S152 S156 V157 L158	F105-D154 HydrophobicContact CD1-CB 4.2Å; F105-D154 HydrophobicContact CD2-CB 4.01Å; F105-D154 HydrophobicContact CE1-CB 3.89Å; F105-D154 HydrophobicContact CE2-CB 3.68Å; F105-D154 VanDerWaalsContact CE2-CG 3.45Å; F105-D154 WeakPolarHBondContact CE2-OD2 3.37Å; F105-D154 HydrophobicContact CG-CB 4.26Å; F105-D154 HydrophobicContact CZ-CB 3.61Å; F105-D154 WeakPolarHBondContact CZ-OD2 3.2Å; S151-D154 WeakPolarHBondContact O-CB 3.32Å; S151-D154 PolarHBondContact O-N 3.33Å; S152-D154 VanDerWaalsContact C-N 3.28Å; S152-D154 PolarHBondContact O-N 3.18Å; D154-S156 PolarHBondContact O-N 3.43Å; D154-S156 WeakPolarHBondContact OD1-CB 3.29Å; D154-S156 PolarHBondContact OD1-N 3.5Å; D154-S156 PolarHBondContact OD1-OG 2.92Å; D154-S156 PolarHBondContact OD2-OG 3.49Å; D154-V157 HydrophobicContact CB-CB 4.04Å; D154-V157 HydrophobicContact CB-CG2 3.7Å; D154-V157 WeakPolarHBondContact O-CB 3.35Å; D154-V157 PolarHBondContact O-N 2.89Å; D154-L158 PolarHBondContact O-N 3.09Å; D154-L158 VanDerWaalsContact O-N 3.08Å
155	P	98.3	Very high	98.5	Very high	76 Å²	76	27.1 Å²	27.1	49%	0.494	16%	0.157	S	C	.	.	H	α-helix	trans	-59	-29.4	179.5	-24.2	34.9	0	0	0	113.7	R153 V157 L158 D159 M200	R153-P155 VanDerWaalsContact O-CD 3.31Å; R153-P155 WeakPolarHBondContact O-CD 3.34Å; P155-V157 VanDerWaalsContact C-N 3.34Å; P155-L158 PolarHBondContact O-N 3.1Å; P155-D159 WeakPolarHBondContact O-CB 3.41Å; P155-D159 PolarHBondContact O-N 3.05Å; P155-M200 WeakPolarHBondContact O-CE 3.31Å
156	S	98.5	Very high	98.5	Very high	74 Å²	74	27.6 Å²	27.6	52%	0.517	16%	0.158	S	C	.	.	H	α-helix	trans	-70.7	-32.1	177.5	73.1	0	0	0	0	112.2	D154 A160	D154-S156 PolarHBondContact O-N 3.43Å; D154-S156 WeakPolarHBondContact OD1-CB 3.29Å; D154-S156 PolarHBondContact OD1-N 3.5Å; D154-S156 PolarHBondContact OD1-OG 2.92Å; D154-S156 PolarHBondContact OD2-OG 3.49Å; S156-A160 VanDerWaalsContact O-CB 3.32Å; S156-A160 WeakPolarHBondContact O-CB 3.38Å; S156-A160 PolarHBondContact O-N 3.32Å
157	V	98.8	Very high	98.5	Very high	6 Å²	6	27 Å²	27	4%	0.036	15%	0.153	C	C	.	.	H	α-helix	trans	-70.9	-45.9	173.8	173.1	0	0	0	0	110	L147 Y150 D154 P155 D159 A160 H161	L147-V157 HydrophobicContact CD1-CG1 4.27Å; Y150-V157 HydrophobicContact CD2-CG1 3.68Å; Y150-V157 HydrophobicContact CE2-CG1 4.17Å; Y150-V157 HydrophobicContact CG-CG1 3.96Å; Y150-V157 HydrophobicContact CG-CG2 4.37Å; D154-V157 HydrophobicContact CB-CB 4.04Å; D154-V157 HydrophobicContact CB-CG2 3.7Å; D154-V157 WeakPolarHBondContact O-CB 3.35Å; D154-V157 PolarHBondContact O-N 2.89Å; P155-V157 VanDerWaalsContact C-N 3.34Å; V157-D159 VanDerWaalsContact C-N 3.33Å; V157-D159 PolarHBondContact O-N 3Å; V157-A160 PolarHBondContact O-N 2.71Å; V157-H161 VanDerWaalsContact CG1-CE1 3.41Å; V157-H161 WeakPolarHBondContact CG1-CE1 3.35Å; V157-H161 WeakPolarHBondContact CG1-NE2 3.32Å; V157-H161 WeakPolarHBondContact O-CB 3.45Å; V157-H161 PolarHBondContact O-CD2 3.02Å; V157-H161 PolarHBondContact O-N 3.33Å
158	L	98.7	Very high	98.5	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.016	14%	0.136	C	C	.	.	H	α-helix	trans	-58.4	-44.7	174.6	-67.3	-179.8	0	0	0	111.6	S152 D154 P155 H161 M162 L197 M200	S152-L158 WeakPolarHBondContact O-CD2 3.41Å; S152-L158 WeakPolarHBondContact O-CG 3.48Å; D154-L158 PolarHBondContact O-N 3.09Å; D154-L158 VanDerWaalsContact O-N 3.08Å; P155-L158 PolarHBondContact O-N 3.1Å; L158-H161 PolarHBondContact O-N 3.3Å; L158-M162 WeakPolarHBondContact O-CG 3.31Å; L158-M162 PolarHBondContact O-N 3.37Å; L158-L197 HydrophobicContact CD2-CD1 3.83Å; L158-M200 HydrophobicContact CB-CB 4.3Å; L158-M200 HydrophobicContact CB-CE 4.22Å; L158-M200 HydrophobicContact CB-CG 3.93Å
159	D	98.4	Very high	98.6	Very high	31 Å²	31	23.4 Å²	23.4	17%	0.166	13%	0.131	C	C	.	.	H	α-helix	trans	-61.4	-47.2	176.6	-171.9	89.3	0	0	0	111.3	P155 V157 H161 M162 Q163 M200 K203 Y204	P155-D159 WeakPolarHBondContact O-CB 3.41Å; P155-D159 PolarHBondContact O-N 3.05Å; V157-D159 VanDerWaalsContact C-N 3.33Å; V157-D159 PolarHBondContact O-N 3Å; D159-H161 VanDerWaalsContact C-N 3.35Å; D159-H161 PolarHBondContact O-N 3.5Å; D159-M162 PolarHBondContact O-N 3.08Å; D159-Q163 WeakPolarHBondContact O-CG 3.47Å; D159-Q163 PolarHBondContact O-N 3.32Å; D159-Q163 PolarHBondContact OD2-NE2 3.26Å; D159-M200 HydrophobicContact CB-CE 3.93Å; D159-M200 HydrophobicContact CB-SD 3.88Å; D159-K203 IonicContact OD1-NZ 2.78Å; D159-K203 PolarHBondContact OD1-NZ 2.9Å; D159-Y204 VanDerWaalsContact OD1-CE2 3.25Å; D159-Y204 WeakPolarHBondContact OD1-CE2 3.19Å; D159-Y204 PolarHBondContact OD1-OH 3.25Å; D159-Y204 PolarHBondContact OD2-OH 3.36Å; D159-Y204 VanDerWaalsContact OD2-OH 3.04Å
160	A	98.7	Very high	98.6	Very high	21 Å²	21	22.8 Å²	22.8	17%	0.174	13%	0.126	C	C	.	.	H	α-helix	trans	-61.4	-39.8	176.1	0	0	0	0	0	112.8	L147 S156 V157 Q163 Q164	L147-A160 HydrophobicContact CD1-CB 4.02Å; L147-A160 HydrophobicContact CD2-CB 4.26Å; S156-A160 VanDerWaalsContact O-CB 3.32Å; S156-A160 WeakPolarHBondContact O-CB 3.38Å; S156-A160 PolarHBondContact O-N 3.32Å; V157-A160 PolarHBondContact O-N 2.71Å; A160-Q163 PolarHBondContact O-N 3.14Å; A160-Q164 WeakPolarHBondContact O-CG 3.46Å; A160-Q164 PolarHBondContact O-N 2.87Å
161	H	98.9	Very high	98.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63.4	-45.4	176.1	-72	-176.8	0	0	0	111.4	Y96 Y150 V157 L158 D159 Q163 Q164 L165 F391 E401	Y96-H161 HydrophobicContact CE2-CB 4.14Å; Y96-H161 AromaticContact CE2-ND1 3.58Å; Y96-H161 AromaticContact CZ-ND1 3.57Å; Y96-H161 PolarHBondContact OH-ND1 3.36Å; Y150-H161 AromaticContact CE2-CE1 3.87Å; Y150-H161 AromaticContact CZ-CE1 3.79Å; Y150-H161 AromaticContact CZ-NE2 3.93Å; V157-H161 VanDerWaalsContact CG1-CE1 3.41Å; V157-H161 WeakPolarHBondContact CG1-CE1 3.35Å; V157-H161 WeakPolarHBondContact CG1-NE2 3.32Å; V157-H161 WeakPolarHBondContact O-CB 3.45Å; V157-H161 PolarHBondContact O-CD2 3.02Å; V157-H161 PolarHBondContact O-N 3.33Å; L158-H161 PolarHBondContact O-N 3.3Å; D159-H161 VanDerWaalsContact C-N 3.35Å; D159-H161 PolarHBondContact O-N 3.5Å; H161-Q163 VanDerWaalsContact C-N 3.31Å; H161-Q163 PolarHBondContact O-N 2.92Å; H161-Q164 PolarHBondContact O-N 3.41Å; H161-Q164 VanDerWaalsContact O-N 3.14Å; H161-L165 WeakPolarHBondContact O-CB 3.12Å; H161-L165 VanDerWaalsContact O-CG 3.32Å; H161-L165 WeakPolarHBondContact O-CG 3.44Å; H161-L165 PolarHBondContact O-N 2.84Å; H161-F391 HydrophobicContact CB-CE1 3.85Å; H161-F391 HydrophobicContact CB-CZ 3.86Å; H161-F391 AromaticContact CD2-CE1 3.77Å; H161-F391 AromaticContact CD2-CZ 3.92Å; H161-F391 AromaticContact CG-CE1 3.51Å; H161-F391 AromaticContact CG-CZ 3.84Å; H161-F391 AromaticContact ND1-CE1 3.7Å; H161-E401 IonicContact NE2-OE1 2.72Å; H161-E401 IonicContact NE2-OE2 2.94Å
162	M	98.8	Very high	98.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63.6	-37.2	176.8	-64.2	-46.7	145.2	0	0	112.3	L158 D159 L165 R166 I173 L197 M200 A201 Y204 I206	L158-M162 WeakPolarHBondContact O-CG 3.31Å; L158-M162 PolarHBondContact O-N 3.37Å; D159-M162 PolarHBondContact O-N 3.08Å; M162-L165 HydrophobicContact CE-CD1 4.43Å; M162-L165 PolarHBondContact O-N 2.83Å; M162-L165 HydrophobicContact SD-CD1 3.79Å; M162-R166 VanDerWaalsContact O-CB 3.32Å; M162-R166 WeakPolarHBondContact O-CB 3.25Å; M162-R166 WeakPolarHBondContact O-CG 3.46Å; M162-R166 PolarHBondContact O-N 2.99Å; M162-I173 HydrophobicContact CE-CD1 4.06Å; M162-L197 HydrophobicContact CE-CD1 3.44Å; M162-L197 VanDerWaalsContact CE-CD1 3.44Å; M162-M200 HydrophobicContact CB-CG 4.48Å; M162-M200 HydrophobicContact CG-CB 4.35Å; M162-M200 HydrophobicContact CG-CG 3.6Å; M162-A201 HydrophobicContact CE-CB 4.45Å; M162-A201 HydrophobicContact SD-CB 4.26Å; M162-Y204 HydrophobicContact CB-CD1 4.2Å; M162-Y204 HydrophobicContact CB-CD2 3.29Å; M162-Y204 HydrophobicContact CB-CE2 3.86Å; M162-Y204 HydrophobicContact CB-CG 3.48Å; M162-Y204 VanDerWaalsContact CB-CG 3.48Å; M162-Y204 HydrophobicContact CG-CD2 3.88Å; M162-Y204 HydrophobicContact CG-CG 4.35Å; M162-I206 HydrophobicContact CB-CD1 4.1Å; M162-I206 HydrophobicContact CG-CD1 4.36Å; M162-I206 HydrophobicContact SD-CB 4.39Å; M162-I206 HydrophobicContact SD-CD1 3.58Å; M162-I206 VanDerWaalsContact SD-CD1 3.58Å; M162-I206 HydrophobicContact SD-CG2 4.4Å
163	Q	98.6	Very high	98.6	Very high	71 Å²	71	22.6 Å²	22.6	33%	0.332	13%	0.125	S	C	.	.	H	α-helix	trans	-62.9	-40.7	172.3	-68.5	-175.8	46.9	0	0	112.4	F85 D159 A160 H161 R166 T167 Y204	F85-Q163 HydrophobicContact CE1-CB 4.08Å; F85-Q163 HydrophobicContact CE1-CG 4.5Å; F85-Q163 WeakPolarHBondContact CE1-O 3.36Å; F85-Q163 HydrophobicContact CE2-CG 4.32Å; F85-Q163 HydrophobicContact CZ-CB 3.82Å; F85-Q163 HydrophobicContact CZ-CG 3.73Å; D159-Q163 WeakPolarHBondContact O-CG 3.47Å; D159-Q163 PolarHBondContact O-N 3.32Å; D159-Q163 PolarHBondContact OD2-NE2 3.26Å; A160-Q163 PolarHBondContact O-N 3.14Å; H161-Q163 VanDerWaalsContact C-N 3.31Å; H161-Q163 PolarHBondContact O-N 2.92Å; Q163-R166 PolarHBondContact O-N 3.35Å; Q163-T167 WeakPolarHBondContact O-CB 3.44Å; Q163-T167 PolarHBondContact O-N 3.16Å; Q163-T167 PolarHBondContact O-OG1 3.18Å; Q163-Y204 HydrophobicContact CG-CE1 3.63Å
164	Q	98.9	Very high	98.7	Very high	18 Å²	18	18 Å²	18	8%	0.084	11%	0.108	C	C	.	.	H	α-helix	trans	-66.8	-44.3	176.1	-73	-175.1	54.1	0	0	112	A160 H161 R166 T167 A168 F391 T402 L424	A160-Q164 WeakPolarHBondContact O-CG 3.46Å; A160-Q164 PolarHBondContact O-N 2.87Å; H161-Q164 PolarHBondContact O-N 3.41Å; H161-Q164 VanDerWaalsContact O-N 3.14Å; Q164-R166 VanDerWaalsContact C-N 3.33Å; Q164-R166 PolarHBondContact O-N 2.96Å; Q164-T167 WeakPolarHBondContact O-CB 3.37Å; Q164-T167 PolarHBondContact O-N 2.7Å; Q164-T167 VanDerWaalsContact O-N 3.14Å; Q164-A168 PolarHBondContact O-N 3.02Å; Q164-F391 HydrophobicContact CB-CE2 3.96Å; Q164-F391 HydrophobicContact CB-CZ 4.14Å; Q164-T402 PolarHBondContact NE2-OG1 3.17Å; Q164-T402 PolarHBondContact OE1-OG1 2.83Å; Q164-L424 HydrophobicContact CB-CD1 3.7Å; Q164-L424 HydrophobicContact CB-CD2 4.31Å; Q164-L424 HydrophobicContact CG-CD1 3.75Å
165	L	98.9	Very high	98.7	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-59.8	-43.3	174.8	-72.6	161.6	0	0	0	111.4	A94 H161 M162 A168 A169 I170 I173 I206 F391	A94-L165 HydrophobicContact CB-CD2 4.45Å; H161-L165 WeakPolarHBondContact O-CB 3.12Å; H161-L165 VanDerWaalsContact O-CG 3.32Å; H161-L165 WeakPolarHBondContact O-CG 3.44Å; H161-L165 PolarHBondContact O-N 2.84Å; M162-L165 HydrophobicContact CE-CD1 4.43Å; M162-L165 PolarHBondContact O-N 2.83Å; M162-L165 HydrophobicContact SD-CD1 3.79Å; L165-A168 CarbonylContact O-C 3.52Å; L165-A168 WeakPolarHBondContact O-CB 3.46Å; L165-A168 PolarHBondContact O-N 3.31Å; L165-A169 PolarHBondContact O-N 3.41Å; L165-A169 VanDerWaalsContact O-N 3.15Å; L165-I170 HydrophobicContact CD2-CB 4.11Å; L165-I170 HydrophobicContact CD2-CD1 3.81Å; L165-I170 HydrophobicContact CD2-CG2 3.95Å; L165-I170 PolarHBondContact O-N 3.05Å; L165-I173 HydrophobicContact CD1-CG2 3.47Å; L165-I173 VanDerWaalsContact CD1-CG2 3.47Å; L165-I173 HydrophobicContact CD2-CG2 3.77Å; L165-I173 HydrophobicContact CG-CG2 4.27Å; L165-I206 HydrophobicContact CB-CD1 3.54Å; L165-I206 HydrophobicContact CD1-CD1 4.05Å; L165-I206 HydrophobicContact CG-CD1 4.45Å; L165-F391 HydrophobicContact CD2-CB 4.47Å; L165-F391 HydrophobicContact CD2-CD2 3.5Å; L165-F391 VanDerWaalsContact CD2-CD2 3.5Å; L165-F391 HydrophobicContact CD2-CE2 3.96Å; L165-F391 HydrophobicContact CD2-CG 4.06Å; L165-F391 HydrophobicContact CG-CD2 3.87Å; L165-F391 HydrophobicContact CG-CE2 3.79Å; L165-F391 HydrophobicContact CG-CZ 4.4Å
166	R	98.4	Very high	98.7	Very high	9 Å²	9	13.3 Å²	13.3	3%	0.034	8%	0.079	C	C	.	.	H	α-helix	trans	-65.3	-38.5	173.1	-76.5	-59.2	-63.1	-92.3	-5.3	112.4	F85 P86 M162 Q163 Q164 A168 A169 Y204 I206	F85-R166 HydrophobicContact CB-CB 3.73Å; F85-R166 HydrophobicContact CD1-CB 3.95Å; F85-R166 HydrophobicContact CD2-CB 4.28Å; F85-R166 HydrophobicContact CG-CB 3.72Å; P86-R166 VanDerWaalsContact CD-O 3.22Å; P86-R166 WeakPolarHBondContact CD-O 3.49Å; P86-R166 WeakPolarHBondContact CG-O 3.5Å; P86-R166 PolarHBondContact O-NE 3.49Å; P86-R166 VanDerWaalsContact O-NE 3.15Å; P86-R166 PolarHBondContact O-NH2 3.04Å; M162-R166 VanDerWaalsContact O-CB 3.32Å; M162-R166 WeakPolarHBondContact O-CB 3.25Å; M162-R166 WeakPolarHBondContact O-CG 3.46Å; M162-R166 PolarHBondContact O-N 2.99Å; Q163-R166 PolarHBondContact O-N 3.35Å; Q164-R166 VanDerWaalsContact C-N 3.33Å; Q164-R166 PolarHBondContact O-N 2.96Å; R166-A168 PolarHBondContact O-N 3.42Å; R166-A169 PolarHBondContact O-N 3.49Å; R166-Y204 VanDerWaalsContact CD-O 3.24Å; R166-Y204 WeakPolarHBondContact CD-O 3.49Å; R166-Y204 HydrophobicContact CG-CD1 4.18Å; R166-Y204 PolarHBondContact NH1-O 3.08Å; R166-I206 HydrophobicContact CG-CD1 4.01Å; R166-I206 HydrophobicContact CG-CG1 4.37Å
167	T	98.6	Very high	98.7	Very high	34 Å²	34	9.8 Å²	9.8	21%	0.209	5%	0.054	C	C	.	.	H	α-helix	trans	-59.1	-37.1	172.4	-61.4	0	0	0	0	111.6	Q163 Q164 A169 L424 R428	Q163-T167 WeakPolarHBondContact O-CB 3.44Å; Q163-T167 PolarHBondContact O-N 3.16Å; Q163-T167 PolarHBondContact O-OG1 3.18Å; Q164-T167 WeakPolarHBondContact O-CB 3.37Å; Q164-T167 PolarHBondContact O-N 2.7Å; Q164-T167 VanDerWaalsContact O-N 3.14Å; T167-A169 VanDerWaalsContact C-N 3.29Å; T167-A169 PolarHBondContact O-N 2.84Å; T167-L424 HydrophobicContact CG2-CB 4.21Å; T167-L424 HydrophobicContact CG2-CD1 4.47Å; T167-R428 WeakPolarHBondContact O-CB 3.47Å; T167-R428 WeakPolarHBondContact O-CD 3.4Å
168	A	98.8	Very high	98.7	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-2.7	176.4	0	0	0	0	0	114.5	Q164 L165 R166 I170 L424 T427 R428	Q164-A168 PolarHBondContact O-N 3.02Å; L165-A168 CarbonylContact O-C 3.52Å; L165-A168 WeakPolarHBondContact O-CB 3.46Å; L165-A168 PolarHBondContact O-N 3.31Å; R166-A168 PolarHBondContact O-N 3.42Å; A168-I170 HydrophobicContact CB-CD1 3.72Å; A168-I170 HydrophobicContact CB-CG1 3.94Å; A168-I170 PolarHBondContact O-N 2.81Å; A168-L424 WeakPolarHBondContact CA-O 3.3Å; A168-L424 HydrophobicContact CB-CB 4.24Å; A168-L424 HydrophobicContact CB-CD2 4.18Å; A168-T427 HydrophobicContact CB-CG2 3.87Å; A168-R428 WeakPolarHBondContact O-CA 3.38Å; A168-R428 PolarHBondContact O-N 3.39Å
169	A	98.8	Very high	98.6	Very high	7 Å²	7	10.9 Å²	10.9	6%	0.058	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	26.1	-171.9	0	0	0	0	0	114.1	P86 N89 L165 R166 T167 R428 A431	P86-A169 HydrophobicContact CB-CB 4.12Å; P86-A169 HydrophobicContact CG-CB 3.81Å; N89-A169 WeakPolarHBondContact CB-O 3.31Å; N89-A169 PolarHBondContact N-O 3.07Å; L165-A169 PolarHBondContact O-N 3.41Å; L165-A169 VanDerWaalsContact O-N 3.15Å; R166-A169 PolarHBondContact O-N 3.49Å; T167-A169 VanDerWaalsContact C-N 3.29Å; T167-A169 PolarHBondContact O-N 2.84Å; A169-R428 HydrophobicContact CB-CG 4.41Å; A169-A431 HydrophobicContact CB-CB 3.91Å
170	I	98.9	Very high	98.3	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	130.3	174.3	-67.5	162.4	0	0	0	108.5	L92 A94 L165 A168 V172 I388 I400 T427	L92-I170 HydrophobicContact CD2-CG1 4.03Å; L92-I170 HydrophobicContact CG-CG1 4.33Å; A94-I170 HydrophobicContact CB-CD1 3.93Å; A94-I170 HydrophobicContact CB-CG2 4.01Å; L165-I170 HydrophobicContact CD2-CB 4.11Å; L165-I170 HydrophobicContact CD2-CD1 3.81Å; L165-I170 HydrophobicContact CD2-CG2 3.95Å; L165-I170 PolarHBondContact O-N 3.05Å; A168-I170 HydrophobicContact CB-CD1 3.72Å; A168-I170 HydrophobicContact CB-CG1 3.94Å; A168-I170 PolarHBondContact O-N 2.81Å; I170-V172 VanDerWaalsContact CG2-O 3.31Å; I170-V172 WeakPolarHBondContact CG2-O 3.29Å; I170-I388 HydrophobicContact CD1-CD1 3.77Å; I170-I388 HydrophobicContact CG1-CD1 3.93Å; I170-I400 HydrophobicContact CD1-CD1 3.61Å; I170-T427 HydrophobicContact CD1-CG2 4.04Å; I170-T427 HydrophobicContact CG1-CG2 3.95Å
171	G	98.8	Very high	97.9	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-20.4	-179.9	0	0	0	0	0	115	P88 N89 Y90 L92 K207	P88-G171 VanDerWaalsContact CB-CA 3.47Å; N89-G171 WeakPolarHBondContact O-CA 3.35Å; N89-G171 PolarHBondContact O-N 2.81Å; Y90-G171 WeakPolarHBondContact CD1-O 3.37Å; Y90-G171 WeakPolarHBondContact CE1-O 3.44Å; L92-G171 PolarHBondContact O-N 3.34Å; G171-K207 PolarHBondContact O-N 2.88Å
172	V	98.9	Very high	97.5	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	132.5	-176.6	-168.7	0	0	0	0	110.2	Y90 L92 H93 A94 I170 K207 A209 F241	Y90-V172 HydrophobicContact CD1-CG2 4.26Å; L92-V172 PolarHBondContact O-N 3.06Å; H93-V172 CarbonylContact C-O 3.54Å; H93-V172 VanDerWaalsContact CA-O 3.25Å; H93-V172 WeakPolarHBondContact CA-O 3.42Å; H93-V172 HydrophobicContact CB-CB 4.32Å; H93-V172 WeakPolarHBondContact CD2-CB 3.34Å; H93-V172 VanDerWaalsContact CD2-CG2 3.44Å; H93-V172 WeakPolarHBondContact CD2-CG2 3.24Å; A94-V172 PolarHBondContact N-O 2.99Å; I170-V172 VanDerWaalsContact CG2-O 3.31Å; I170-V172 WeakPolarHBondContact CG2-O 3.29Å; V172-K207 CarbonylContact C-O 3.43Å; V172-K207 VanDerWaalsContact CA-O 3.29Å; V172-K207 WeakPolarHBondContact CA-O 3.46Å; V172-K207 HydrophobicContact CG1-CB 4.41Å; V172-K207 HydrophobicContact CG2-CB 4.26Å; V172-A209 HydrophobicContact CG1-CB 3.91Å; V172-F241 HydrophobicContact CB-CD2 4.48Å; V172-F241 HydrophobicContact CG1-CB 4.19Å; V172-F241 HydrophobicContact CG1-CD1 4.28Å; V172-F241 HydrophobicContact CG1-CD2 3.97Å; V172-F241 HydrophobicContact CG1-CE2 4.42Å; V172-F241 HydrophobicContact CG1-CG 3.88Å; V172-F241 HydrophobicContact CG2-CD2 3.63Å; V172-F241 HydrophobicContact CG2-CE2 3.47Å; V172-F241 VanDerWaalsContact CG2-CE2 3.47Å; V172-F241 HydrophobicContact CG2-CG 4.37Å; V172-F241 HydrophobicContact CG2-CZ 4.1Å
173	I	98.9	Very high	97.2	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	133.4	163.2	56.4	175	0	0	0	109.5	A94 Y96 M162 L165 V175 L197 I206 K207 V208 A209	A94-I173 CarbonylContact O-C 3.07Å; A94-I173 WeakPolarHBondContact O-CA 3.41Å; Y96-I173 HydrophobicContact CD1-CD1 4.12Å; Y96-I173 HydrophobicContact CD2-CG2 4.35Å; Y96-I173 HydrophobicContact CE1-CD1 4.46Å; Y96-I173 HydrophobicContact CG-CB 4.33Å; Y96-I173 HydrophobicContact CG-CD1 4.23Å; Y96-I173 HydrophobicContact CG-CG2 4.39Å; M162-I173 HydrophobicContact CE-CD1 4.06Å; L165-I173 HydrophobicContact CD1-CG2 3.47Å; L165-I173 VanDerWaalsContact CD1-CG2 3.47Å; L165-I173 HydrophobicContact CD2-CG2 3.77Å; L165-I173 HydrophobicContact CG-CG2 4.27Å; I173-V175 HydrophobicContact CD1-CG2 3.95Å; I173-V175 HydrophobicContact CG1-CG2 4.06Å; I173-L197 HydrophobicContact CD1-CD1 3.97Å; I173-L197 HydrophobicContact CD1-CD2 4.19Å; I173-L197 HydrophobicContact CD1-CG 4.26Å; I173-I206 HydrophobicContact CG1-CG2 4.22Å; I173-I206 HydrophobicContact CG2-CG2 4.31Å; I173-K207 PolarHBondContact N-O 2.82Å; I173-V208 HydrophobicContact CD1-CG2 4.1Å; I173-V208 HydrophobicContact CG1-CB 4.47Å; I173-V208 HydrophobicContact CG1-CG2 3.99Å; I173-A209 PolarHBondContact O-N 3.17Å
174	A	98.9	Very high	96.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	100.5	171.4	0	0	0	0	0	107.6	A94 F95 Y96 A209 H211 Y255	A94-A174 PolarHBondContact O-N 2.87Å; F95-A174 WeakPolarHBondContact CA-O 3.32Å; F95-A174 HydrophobicContact CD1-CB 3.84Å; F95-A174 HydrophobicContact CE1-CB 4.05Å; Y96-A174 PolarHBondContact N-O 3.22Å; A174-A209 WeakPolarHBondContact CA-O 3.44Å; A174-H211 HydrophobicContact CB-CB 4.35Å; A174-Y255 HydrophobicContact CB-CD2 3.85Å; A174-Y255 HydrophobicContact CB-CE2 3.9Å
175	V	98.8	Very high	96.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	123.3	-170	-178.5	0	0	0	0	109.8	Y96 V98 I173 W177 M194 L197 V208 A209 H211	Y96-V175 HydrophobicContact CD1-CG2 4.21Å; Y96-V175 WeakPolarHBondContact O-CA 2.99Å; V98-V175 HydrophobicContact CG1-CG1 4.14Å; V98-V175 HydrophobicContact CG2-CG1 3.91Å; I173-V175 HydrophobicContact CD1-CG2 3.95Å; I173-V175 HydrophobicContact CG1-CG2 4.06Å; V175-W177 PolarHBondContact O-N 3.26Å; V175-M194 HydrophobicContact CB-CE 4.41Å; V175-M194 HydrophobicContact CG1-CE 4.31Å; V175-M194 HydrophobicContact CG1-SD 3.88Å; V175-M194 HydrophobicContact CG2-CE 4.4Å; V175-L197 HydrophobicContact CB-CD2 4.49Å; V175-L197 HydrophobicContact CG1-CD2 4.13Å; V175-L197 HydrophobicContact CG2-CD2 3.56Å; V175-V208 HydrophobicContact CG2-CG1 3.67Å; V175-A209 PolarHBondContact N-O 2.77Å; V175-H211 WeakPolarHBondContact O-CB 3.4Å; V175-H211 PolarHBondContact O-N 2.82Å
176	S	98.6	Very high	95.7	Very high	5 Å²	5	27.4 Å²	27.4	4%	0.035	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	118.3	169.8	174.6	0	0	0	0	108.9	Y96 E213	Y96-S176 PolarHBondContact O-N 2.83Å; S176-E213 WeakPolarHBondContact CB-OE1 3.27Å; S176-E213 VanDerWaalsContact OG-CG 3.23Å; S176-E213 WeakPolarHBondContact OG-CG 3.45Å; S176-E213 PolarHBondContact OG-OE1 3.03Å
177	W	98.5	Very high	95.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	133.6	-169.3	-175.4	90.1	0	0	0	112.1	V175 P179 D191 F210 H211 I212 E213 N226 Y229 I230	V175-W177 PolarHBondContact O-N 3.26Å; W177-P179 HydrophobicContact CH2-CB 4.03Å; W177-P179 HydrophobicContact CH2-CG 3.96Å; W177-P179 HydrophobicContact CZ3-CB 4.31Å; W177-P179 HydrophobicContact CZ3-CG 3.75Å; W177-D191 PolarHBondContact NE1-OD1 3.05Å; W177-F210 HydrophobicContact CB-CD1 3.88Å; W177-F210 AromaticContact CD1-CD1 3.65Å; W177-F210 AromaticContact CD1-CE1 3.6Å; W177-F210 HydrophobicContact CD2-CD1 4.26Å; W177-F210 AromaticContact CG-CD1 3.65Å; W177-F210 HydrophobicContact CG-CD1 3.65Å; W177-F210 HydrophobicContact CG-CE1 4.08Å; W177-F210 AromaticContact NE1-CE1 3.92Å; W177-H211 PolarHBondContact N-O 3.25Å; W177-I212 HydrophobicContact CE3-CG2 4.46Å; W177-E213 PolarHBondContact O-N 2.83Å; W177-E213 VanDerWaalsContact O-N 3.07Å; W177-N226 HydrophobicContact CH2-CB 3.84Å; W177-N226 HydrophobicContact CZ3-CB 4.02Å; W177-Y229 HydrophobicContact CZ2-CD1 4.01Å; W177-Y229 HydrophobicContact CZ2-CE1 4.14Å; W177-I230 HydrophobicContact CD2-CD1 3.95Å; W177-I230 HydrophobicContact CE3-CD1 3.95Å; W177-I230 HydrophobicContact CH2-CD1 3.84Å; W177-I230 HydrophobicContact CH2-CG1 4.1Å; W177-I230 HydrophobicContact CZ2-CD1 3.87Å; W177-I230 HydrophobicContact CZ2-CG1 3.78Å; W177-I230 HydrophobicContact CZ3-CD1 3.9Å
178	Y	97.4	Very high	95.1	Very high	24 Å²	24	29.2 Å²	29.2	9%	0.094	17%	0.169	C	C	.	.			trans	-116	146.2	170.6	-79.8	-90.6	0	0	0	109.7	D184 E213 P214	Y178-D184 HydrophobicContact CE2-CB 3.9Å; Y178-D184 WeakPolarHBondContact OH-CB 3.48Å; Y178-E213 HydrophobicContact CD1-CB 4.28Å; Y178-E213 HydrophobicContact CD2-CB 3.96Å; Y178-E213 HydrophobicContact CD2-CG 4Å; Y178-E213 HydrophobicContact CE1-CB 3.81Å; Y178-E213 HydrophobicContact CE2-CB 3.47Å; Y178-E213 VanDerWaalsContact CE2-CB 3.47Å; Y178-E213 HydrophobicContact CE2-CG 3.5Å; Y178-E213 VanDerWaalsContact CE2-CG 3.5Å; Y178-E213 HydrophobicContact CG-CB 4.34Å; Y178-P214 WeakPolarHBondContact CE1-O 3.12Å
179	P	96.2	Very high	94.9	Very high	9 Å²	9	30.8 Å²	30.8	6%	0.058	18%	0.18	C	C	.	.			trans	-51	152.3	171.6	-28.1	35	0	0	0	113.6	W177 S181 T182 Y215 N226	W177-P179 HydrophobicContact CH2-CB 4.03Å; W177-P179 HydrophobicContact CH2-CG 3.96Å; W177-P179 HydrophobicContact CZ3-CB 4.31Å; W177-P179 HydrophobicContact CZ3-CG 3.75Å; P179-S181 PolarHBondContact O-N 2.91Å; P179-T182 HydrophobicContact CB-CG2 4.3Å; P179-T182 VanDerWaalsContact CD-OG1 3.26Å; P179-T182 WeakPolarHBondContact CD-OG1 3.04Å; P179-T182 WeakPolarHBondContact O-CB 3.44Å; P179-T182 PolarHBondContact O-N 2.74Å; P179-T182 PolarHBondContact O-OG1 2.93Å; P179-Y215 VanDerWaalsContact CD-CD1 3.42Å; P179-Y215 HydrophobicContact CG-CD1 3.57Å; P179-Y215 HydrophobicContact CG-CD2 4.07Å; P179-Y215 HydrophobicContact CG-CE1 3.65Å; P179-Y215 HydrophobicContact CG-CE2 4.15Å; P179-Y215 HydrophobicContact CG-CG 3.79Å; P179-N226 VanDerWaalsContact CG-ND2 3.31Å; P179-N226 WeakPolarHBondContact CG-ND2 3.4Å
180	P	92.9	Very high	94.6	Very high	47 Å²	47	31.2 Å²	31.2	31%	0.305	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	139.6	177.3	-26.5	34.8	0	0	0	112.1	T182 D191 Y229	P180-T182 PolarHBondContact O-N 3.06Å; P180-D191 HydrophobicContact CG-CB 4.42Å; P180-Y229 HydrophobicContact CG-CD1 4.19Å; P180-Y229 HydrophobicContact CG-CE1 3.47Å; P180-Y229 VanDerWaalsContact CG-CE1 3.47Å; P180-Y229 HydrophobicContact CG-CE2 4.09Å; P180-Y229 WeakPolarHBondContact CG-OH 3.4Å
181	S	89.7	Confident	94.3	Very high	111 Å²	111	31.4 Å²	31.4	78%	0.776	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	62	15.2	-176.6	-48.1	0	0	0	0	115.2	P179	P179-S181 PolarHBondContact O-N 2.91Å
182	T	92.1	Very high	94.1	Very high	47 Å²	47	38.7 Å²	38.7	29%	0.288	22%	0.216	S	C	.	.			trans	-121.5	161.7	168.8	73.9	0	0	0	0	110.3	P179 P180 P189	P179-T182 HydrophobicContact CB-CG2 4.3Å; P179-T182 VanDerWaalsContact CD-OG1 3.26Å; P179-T182 WeakPolarHBondContact CD-OG1 3.04Å; P179-T182 WeakPolarHBondContact O-CB 3.44Å; P179-T182 PolarHBondContact O-N 2.74Å; P179-T182 PolarHBondContact O-OG1 2.93Å; P180-T182 PolarHBondContact O-N 3.06Å; T182-P189 WeakPolarHBondContact O-CA 3.04Å
183	N	91	Very high	94	Very high	61 Å²	61	39.1 Å²	39.1	33%	0.326	22%	0.218	S	C	.	.			trans	-160.7	169.6	-174.9	51	-84.1	0	0	0	109.8	G187 E188	N183-G187 PolarHBondContact ND2-O 2.61Å; N183-E188 VanDerWaalsContact CB-C 3.44Å
184	D	90.7	Very high	94	Very high	16 Å²	16	39.1 Å²	39.1	9%	0.086	22%	0.218	C	C	.	.			trans	-70.7	167.9	166.9	75	91.9	0	0	0	111	H111 Y178 N186 G187	H111-D184 IonicContact CE1-OD1 3.06Å; H111-D184 PolarHBondContact CE1-OD1 2.78Å; H111-D184 IonicContact CE1-OD2 2.58Å; H111-D184 PolarHBondContact CE1-OD2 2.64Å; H111-D184 IonicContact NE2-OD1 3.25Å; H111-D184 IonicContact NE2-OD2 3.4Å; H111-D184 PolarHBondContact NE2-OD2 3.12Å; Y178-D184 HydrophobicContact CE2-CB 3.9Å; Y178-D184 WeakPolarHBondContact OH-CB 3.48Å; D184-N186 PolarHBondContact O-N 3.42Å; D184-N186 WeakPolarHBondContact OD1-CA 3.08Å; D184-N186 WeakPolarHBondContact OD1-CB 3.36Å; D184-N186 PolarHBondContact OD1-N 3.33Å; D184-G187 PolarHBondContact O-N 2.83Å; D184-G187 PolarHBondContact OD1-N 2.87Å; D184-G187 VanDerWaalsContact OD1-N 3.13Å; D184-G187 WeakPolarHBondContact OD2-CA 3.48Å; D184-G187 PolarHBondContact OD2-N 3.38Å
185	D	86.8	Confident	94	Very high	165 Å²	165	41.8 Å²	41.8	88%	0.882	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-16.7	-174.9	-68.6	-25.5	0	0	0	114.6
186	N	88.3	Confident	93.9	Very high	41 Å²	41	45 Å²	45	22%	0.219	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121	1.1	-174.7	-53.7	-79.5	0	0	0	113.5	H114 P115 D184	H114-N186 PolarHBondContact NE2-ND2 3.16Å; P115-N186 WeakPolarHBondContact CD-OD1 3.41Å; P115-N186 WeakPolarHBondContact CG-OD1 3.45Å; D184-N186 PolarHBondContact O-N 3.42Å; D184-N186 WeakPolarHBondContact OD1-CA 3.08Å; D184-N186 WeakPolarHBondContact OD1-CB 3.36Å; D184-N186 PolarHBondContact OD1-N 3.33Å
187	G	90.8	Very high	94	Very high	9 Å²	9	44.8 Å²	44.8	9%	0.093	26%	0.257	C	S	.	.	S	Bend	trans	-112.5	-165.5	-176.1	0	0	0	0	0	115	H111 N183 D184	H111-G187 WeakPolarHBondContact NE2-CA 3.48Å; N183-G187 PolarHBondContact ND2-O 2.61Å; D184-G187 PolarHBondContact O-N 2.83Å; D184-G187 PolarHBondContact OD1-N 2.87Å; D184-G187 VanDerWaalsContact OD1-N 3.13Å; D184-G187 WeakPolarHBondContact OD2-CA 3.48Å; D184-G187 PolarHBondContact OD2-N 3.38Å
188	E	93.3	Very high	94	Very high	72 Å²	72	44.9 Å²	44.9	34%	0.336	26%	0.257	S	S	.	.			trans	-132.6	162.7	174.5	-68.9	-72	175.2	0	0	108.7	K108 I110 N183 V190	K108-E188 WeakPolarHBondContact CE-OE1 3.37Å; K108-E188 IonicContact NZ-OE1 3.83Å; K108-E188 PolarHBondContact NZ-OE1 2.78Å; I110-E188 HydrophobicContact CD1-CB 4.26Å; I110-E188 HydrophobicContact CD1-CG 3.78Å; I110-E188 HydrophobicContact CG1-CG 4.43Å; I110-E188 HydrophobicContact CG2-CG 4.15Å; N183-E188 VanDerWaalsContact CB-C 3.44Å; E188-V190 WeakPolarHBondContact O-CG1 3.47Å; E188-V190 PolarHBondContact O-N 3.43Å
189	P	94.2	Very high	94	Very high	33 Å²	33	48.4 Å²	48.4	21%	0.214	28%	0.278	C	S	.	.			trans	-55.8	127.3	-179.5	-28.2	36.1	0	0	0	113.2	T182	T182-P189 WeakPolarHBondContact O-CA 3.04Å
190	V	91.9	Very high	94.1	Very high	15 Å²	15	49.3 Å²	49.3	9%	0.091	28%	0.282	C	S	.	.			trans	-100.6	-16.4	-173.1	-64.4	0	0	0	0	114.4	V98 W99 E188 E192 I193	V98-V190 HydrophobicContact CG2-CB 3.78Å; V98-V190 HydrophobicContact CG2-CG1 4.09Å; V98-V190 HydrophobicContact CG2-CG2 4.22Å; W99-V190 HydrophobicContact CB-CG1 4.16Å; E188-V190 WeakPolarHBondContact O-CG1 3.47Å; E188-V190 PolarHBondContact O-N 3.43Å; V190-E192 PolarHBondContact O-N 3.33Å; V190-I193 WeakPolarHBondContact O-CG2 3.34Å; V190-I193 PolarHBondContact O-N 2.97Å; V190-I193 VanDerWaalsContact O-N 3.1Å
191	D	94.6	Very high	94.4	Very high	5 Å²	5	47 Å²	47	3%	0.027	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-58.4	-28.6	-172.3	-176.2	68.7	0	0	0	114	W177 P180 I193 M194 Y229 K233 Y234	W177-D191 PolarHBondContact NE1-OD1 3.05Å; P180-D191 HydrophobicContact CG-CB 4.42Å; D191-I193 PolarHBondContact O-N 2.96Å; D191-M194 WeakPolarHBondContact O-CB 3.34Å; D191-M194 WeakPolarHBondContact O-CG 3.45Å; D191-M194 PolarHBondContact O-N 3.42Å; D191-M194 VanDerWaalsContact O-N 3.16Å; D191-Y229 PolarHBondContact OD2-OH 2.9Å; D191-K233 IonicContact OD2-NZ 3.21Å; D191-K233 PolarHBondContact OD2-NZ 3.05Å; D191-Y234 PolarHBondContact O-OH 3.36Å; D191-Y234 PolarHBondContact OD1-OH 3.32Å; D191-Y234 PolarHBondContact OD2-OH 3.11Å
192	E	94.6	Very high	94.8	Very high	152 Å²	152	45.7 Å²	45.7	71%	0.71	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-65.1	-21.9	-179.6	-65.6	-177.8	175.7	0	0	113.9	V190 M194	V190-E192 PolarHBondContact O-N 3.33Å; E192-M194 VanDerWaalsContact C-N 3.31Å
193	I	96.6	Very high	95.1	Very high	9 Å²	9	47.2 Å²	47.2	5%	0.046	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-77.4	-19.1	177.7	-160.8	176	0	0	0	112.9	V98 S152 R153 V190 D191 S196 L197	V98-I193 HydrophobicContact CB-CD1 4.15Å; V98-I193 HydrophobicContact CB-CG2 3.83Å; V98-I193 HydrophobicContact CG1-CD1 4.2Å; V98-I193 HydrophobicContact CG1-CG2 4.05Å; V98-I193 HydrophobicContact CG2-CG2 3.95Å; S152-I193 WeakPolarHBondContact O-CD1 3.29Å; R153-I193 HydrophobicContact CG-CD1 4.14Å; R153-I193 HydrophobicContact CG-CG1 4.44Å; V190-I193 WeakPolarHBondContact O-CG2 3.34Å; V190-I193 PolarHBondContact O-N 2.97Å; V190-I193 VanDerWaalsContact O-N 3.1Å; D191-I193 PolarHBondContact O-N 2.96Å; I193-S196 PolarHBondContact O-N 2.88Å; I193-L197 PolarHBondContact O-N 3.5Å
194	M	98.3	Very high	95.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-58.8	-42	-167.2	-66.6	-55	-53.4	0	0	114.1	V175 D191 E192 L197 L198 V208 F210 Y234	V175-M194 HydrophobicContact CB-CE 4.41Å; V175-M194 HydrophobicContact CG1-CE 4.31Å; V175-M194 HydrophobicContact CG1-SD 3.88Å; V175-M194 HydrophobicContact CG2-CE 4.4Å; D191-M194 WeakPolarHBondContact O-CB 3.34Å; D191-M194 WeakPolarHBondContact O-CG 3.45Å; D191-M194 PolarHBondContact O-N 3.42Å; D191-M194 VanDerWaalsContact O-N 3.16Å; E192-M194 VanDerWaalsContact C-N 3.31Å; M194-L197 HydrophobicContact CE-CD2 4.05Å; M194-L197 PolarHBondContact O-N 3.21Å; M194-L197 HydrophobicContact SD-CD2 4.16Å; M194-L198 VanDerWaalsContact O-CB 3.31Å; M194-L198 WeakPolarHBondContact O-CB 3.19Å; M194-L198 WeakPolarHBondContact O-CD1 3.44Å; M194-L198 VanDerWaalsContact O-CG 3.25Å; M194-L198 WeakPolarHBondContact O-CG 3.45Å; M194-L198 PolarHBondContact O-N 3.06Å; M194-V208 HydrophobicContact CE-CG1 3.88Å; M194-F210 HydrophobicContact CE-CE1 3.66Å; M194-F210 HydrophobicContact CE-CE2 4.47Å; M194-F210 HydrophobicContact CE-CZ 3.61Å; M194-F210 HydrophobicContact SD-CE1 4.4Å; M194-Y234 HydrophobicContact CB-CD1 4.49Å; M194-Y234 HydrophobicContact CB-CE1 3.81Å; M194-Y234 HydrophobicContact CB-CE2 4.11Å; M194-Y234 HydrophobicContact CG-CE2 4.36Å
195	P	98.3	Very high	95.8	Very high	56 Å²	56	47.2 Å²	47.2	36%	0.364	25%	0.248	S	C	.	.	H	α-helix	trans	-56.9	-50.9	175.1	-25.7	35.6	0	0	0	113	L197 L198 D199 Y234	P195-L197 VanDerWaalsContact C-N 3.31Å; P195-L197 PolarHBondContact O-N 2.85Å; P195-L198 WeakPolarHBondContact O-CB 3.36Å; P195-L198 PolarHBondContact O-N 3.39Å; P195-D199 PolarHBondContact O-N 2.87Å; P195-Y234 HydrophobicContact CG-CE1 4.17Å
196	S	98.3	Very high	96.4	Very high	68 Å²	68	39.3 Å²	39.3	48%	0.476	21%	0.206	S	C	.	.	H	α-helix	trans	-63.6	-37.2	179.6	-55	0	0	0	0	112.5	I193 M200	I193-S196 PolarHBondContact O-N 2.88Å; S196-M200 WeakPolarHBondContact O-CB 3.43Å; S196-M200 PolarHBondContact O-N 2.97Å
197	L	98.8	Very high	96.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-65	-43.4	175.4	178.9	65.9	0	0	0	111.6	Y96 V98 L158 M162 I173 V175 I193 M194 P195 M200 A201	Y96-L197 HydrophobicContact CD1-CD2 4.5Å; Y96-L197 HydrophobicContact CE1-CD1 3.86Å; Y96-L197 HydrophobicContact CE1-CD2 4.28Å; V98-L197 HydrophobicContact CG1-CD2 4Å; L158-L197 HydrophobicContact CD2-CD1 3.83Å; M162-L197 HydrophobicContact CE-CD1 3.44Å; M162-L197 VanDerWaalsContact CE-CD1 3.44Å; I173-L197 HydrophobicContact CD1-CD1 3.97Å; I173-L197 HydrophobicContact CD1-CD2 4.19Å; I173-L197 HydrophobicContact CD1-CG 4.26Å; V175-L197 HydrophobicContact CB-CD2 4.49Å; V175-L197 HydrophobicContact CG1-CD2 4.13Å; V175-L197 HydrophobicContact CG2-CD2 3.56Å; I193-L197 PolarHBondContact O-N 3.5Å; M194-L197 HydrophobicContact CE-CD2 4.05Å; M194-L197 PolarHBondContact O-N 3.21Å; M194-L197 HydrophobicContact SD-CD2 4.16Å; P195-L197 VanDerWaalsContact C-N 3.31Å; P195-L197 PolarHBondContact O-N 2.85Å; L197-M200 PolarHBondContact O-N 3.31Å; L197-A201 VanDerWaalsContact O-CB 3.29Å; L197-A201 WeakPolarHBondContact O-CB 3.44Å; L197-A201 PolarHBondContact O-N 3.47Å
198	L	98.9	Very high	97.2	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-62.7	-46.4	178.2	-80.7	165.6	0	0	0	111.1	M194 P195 M200 A201 H202 V208 Y234 H237 A239	M194-L198 VanDerWaalsContact O-CB 3.31Å; M194-L198 WeakPolarHBondContact O-CB 3.19Å; M194-L198 WeakPolarHBondContact O-CD1 3.44Å; M194-L198 VanDerWaalsContact O-CG 3.25Å; M194-L198 WeakPolarHBondContact O-CG 3.45Å; M194-L198 PolarHBondContact O-N 3.06Å; P195-L198 WeakPolarHBondContact O-CB 3.36Å; P195-L198 PolarHBondContact O-N 3.39Å; L198-M200 VanDerWaalsContact C-N 3.35Å; L198-M200 PolarHBondContact O-N 3.12Å; L198-A201 PolarHBondContact O-N 2.68Å; L198-H202 WeakPolarHBondContact O-CB 3.16Å; L198-H202 PolarHBondContact O-N 3.06Å; L198-V208 HydrophobicContact CD2-CB 3.69Å; L198-V208 HydrophobicContact CD2-CG1 4.17Å; L198-V208 HydrophobicContact CD2-CG2 3.77Å; L198-Y234 HydrophobicContact CD1-CD1 3.68Å; L198-Y234 HydrophobicContact CD1-CG 3.94Å; L198-H237 HydrophobicContact CD1-CB 4.29Å; L198-H237 HydrophobicContact CD2-CB 4.44Å; L198-H237 PolarHBondContact O-CE1 3.05Å; L198-A239 HydrophobicContact CD2-CB 4.03Å; L198-A239 WeakPolarHBondContact O-CB 3.31Å
199	D	98.7	Very high	97.5	Very high	98 Å²	98	36.3 Å²	36.3	52%	0.524	19%	0.188	S	C	.	.	H	α-helix	trans	-57.8	-47.6	175.4	-73.4	-25.7	0	0	0	111.1	P195 H202 K203 H237	P195-D199 PolarHBondContact O-N 2.87Å; D199-H202 WeakPolarHBondContact O-CB 3.29Å; D199-H202 PolarHBondContact O-N 3.4Å; D199-K203 PolarHBondContact O-N 3.23Å; D199-H237 IonicContact OD1-NE2 3.88Å; D199-H237 PolarHBondContact OD1-NE2 3.12Å
200	M	98.4	Very high	97.7	Very high	28 Å²	28	34.8 Å²	34.8	14%	0.138	18%	0.178	C	C	.	.	H	α-helix	trans	-65.4	-42.6	178.8	-165.3	64.5	71.8	0	0	111.8	P155 L158 D159 M162 S196 L197 L198 H202 K203 Y204	P155-M200 WeakPolarHBondContact O-CE 3.31Å; L158-M200 HydrophobicContact CB-CB 4.3Å; L158-M200 HydrophobicContact CB-CE 4.22Å; L158-M200 HydrophobicContact CB-CG 3.93Å; D159-M200 HydrophobicContact CB-CE 3.93Å; D159-M200 HydrophobicContact CB-SD 3.88Å; M162-M200 HydrophobicContact CB-CG 4.48Å; M162-M200 HydrophobicContact CG-CB 4.35Å; M162-M200 HydrophobicContact CG-CG 3.6Å; S196-M200 WeakPolarHBondContact O-CB 3.43Å; S196-M200 PolarHBondContact O-N 2.97Å; L197-M200 PolarHBondContact O-N 3.31Å; L198-M200 VanDerWaalsContact C-N 3.35Å; L198-M200 PolarHBondContact O-N 3.12Å; M200-H202 VanDerWaalsContact C-N 3.3Å; M200-H202 PolarHBondContact O-N 2.87Å; M200-K203 WeakPolarHBondContact O-CB 3.45Å; M200-K203 PolarHBondContact O-N 2.77Å; M200-K203 HydrophobicContact SD-CD 3.98Å; M200-Y204 HydrophobicContact CG-CD2 4.46Å; M200-Y204 WeakPolarHBondContact O-CD2 3.4Å; M200-Y204 PolarHBondContact O-N 3Å; M200-Y204 HydrophobicContact SD-CD2 4.27Å; M200-Y204 HydrophobicContact SD-CE2 3.89Å
201	A	98.8	Very high	98.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-60.9	-40.5	175.2	0	0	0	0	0	111.3	M162 L197 L198 Y204 H205 I206 V208 A239	M162-A201 HydrophobicContact CE-CB 4.45Å; M162-A201 HydrophobicContact SD-CB 4.26Å; L197-A201 VanDerWaalsContact O-CB 3.29Å; L197-A201 WeakPolarHBondContact O-CB 3.44Å; L197-A201 PolarHBondContact O-N 3.47Å; L198-A201 PolarHBondContact O-N 2.68Å; A201-Y204 CarbonylContact O-C 3.43Å; A201-Y204 PolarHBondContact O-N 3.35Å; A201-H205 PolarHBondContact O-N 2.84Å; A201-I206 CarbonylContact C-O 3.39Å; A201-I206 HydrophobicContact CB-CB 4.17Å; A201-I206 HydrophobicContact CB-CG2 4.26Å; A201-I206 PolarHBondContact O-N 2.78Å; A201-V208 HydrophobicContact CB-CG2 3.65Å; A201-A239 HydrophobicContact CB-CB 4.04Å
202	H	98.5	Very high	98.3	Very high	83 Å²	83	33.9 Å²	33.9	38%	0.384	17%	0.172	S	C	.	.	H	α-helix	trans	-62.2	-46.4	177.4	-177.1	52	0	0	0	112.4	L198 D199 M200 Y204 H205 P238 A239	L198-H202 WeakPolarHBondContact O-CB 3.16Å; L198-H202 PolarHBondContact O-N 3.06Å; D199-H202 WeakPolarHBondContact O-CB 3.29Å; D199-H202 PolarHBondContact O-N 3.4Å; M200-H202 VanDerWaalsContact C-N 3.3Å; M200-H202 PolarHBondContact O-N 2.87Å; H202-Y204 PolarHBondContact O-N 3.42Å; H202-Y204 VanDerWaalsContact O-N 3.14Å; H202-H205 PolarHBondContact O-N 2.85Å; H202-H205 PolarHBondContact O-ND1 3.19Å; H202-P238 HydrophobicContact CB-CG 4.44Å; H202-A239 HydrophobicContact CB-CB 4Å
203	K	97.3	Very high	98.4	Very high	78 Å²	78	27.1 Å²	27.1	34%	0.339	14%	0.14	S	C	.	.	H	α-helix	trans	-51.4	-36.1	174.9	178.8	-174.6	174.3	-167.8	0	111.9	L78 D159 D199 M200	L78-K203 HydrophobicContact CD1-CD 4.38Å; L78-K203 HydrophobicContact CD1-CG 3.74Å; L78-K203 HydrophobicContact CD2-CG 4.09Å; D159-K203 IonicContact OD1-NZ 2.78Å; D159-K203 PolarHBondContact OD1-NZ 2.9Å; D199-K203 PolarHBondContact O-N 3.23Å; M200-K203 WeakPolarHBondContact O-CB 3.45Å; M200-K203 PolarHBondContact O-N 2.77Å; M200-K203 HydrophobicContact SD-CD 3.98Å
204	Y	98	Very high	98.4	Very high	6 Å²	6	28.5 Å²	28.5	2%	0.024	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	12.5	179.4	-72.5	-86.7	0	0	0	114.3	L82 F85 D159 M162 Q163 R166 M200 A201 H202 I206	L82-Y204 HydrophobicContact CD2-CD1 3.66Å; L82-Y204 HydrophobicContact CD2-CE1 4.22Å; L82-Y204 HydrophobicContact CD2-CG 4.3Å; F85-Y204 HydrophobicContact CE2-CE1 4.31Å; D159-Y204 VanDerWaalsContact OD1-CE2 3.25Å; D159-Y204 WeakPolarHBondContact OD1-CE2 3.19Å; D159-Y204 PolarHBondContact OD1-OH 3.25Å; D159-Y204 PolarHBondContact OD2-OH 3.36Å; D159-Y204 VanDerWaalsContact OD2-OH 3.04Å; M162-Y204 HydrophobicContact CB-CD1 4.2Å; M162-Y204 HydrophobicContact CB-CD2 3.29Å; M162-Y204 HydrophobicContact CB-CE2 3.86Å; M162-Y204 HydrophobicContact CB-CG 3.48Å; M162-Y204 VanDerWaalsContact CB-CG 3.48Å; M162-Y204 HydrophobicContact CG-CD2 3.88Å; M162-Y204 HydrophobicContact CG-CG 4.35Å; Q163-Y204 HydrophobicContact CG-CE1 3.63Å; R166-Y204 VanDerWaalsContact CD-O 3.24Å; R166-Y204 WeakPolarHBondContact CD-O 3.49Å; R166-Y204 HydrophobicContact CG-CD1 4.18Å; R166-Y204 PolarHBondContact NH1-O 3.08Å; M200-Y204 HydrophobicContact CG-CD2 4.46Å; M200-Y204 WeakPolarHBondContact O-CD2 3.4Å; M200-Y204 PolarHBondContact O-N 3Å; M200-Y204 HydrophobicContact SD-CD2 4.27Å; M200-Y204 HydrophobicContact SD-CE2 3.89Å; A201-Y204 CarbonylContact O-C 3.43Å; A201-Y204 PolarHBondContact O-N 3.35Å; H202-Y204 PolarHBondContact O-N 3.42Å; H202-Y204 VanDerWaalsContact O-N 3.14Å; Y204-I206 PolarHBondContact O-N 3.47Å; Y204-I206 VanDerWaalsContact O-N 3.14Å
205	H	98.1	Very high	98.2	Very high	71 Å²	71	29.6 Å²	29.6	33%	0.329	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	25.5	-177.9	-51.9	-36.9	0	0	0	114.8	P88 Y90 A201 H202	P88-H205 HydrophobicContact CG-CB 4.44Å; Y90-H205 VanDerWaalsContact CE1-O 3.29Å; Y90-H205 WeakPolarHBondContact CE1-O 3.29Å; Y90-H205 PolarHBondContact OH-O 3.16Å; A201-H205 PolarHBondContact O-N 2.84Å; H202-H205 PolarHBondContact O-N 2.85Å; H202-H205 PolarHBondContact O-ND1 3.19Å
206	I	98.8	Very high	98	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.181	C	C	.	.			trans	-87.8	147.4	171.1	-69.3	164.9	0	0	0	108.3	M162 L165 R166 I173 A201 Y204	M162-I206 HydrophobicContact CB-CD1 4.1Å; M162-I206 HydrophobicContact CG-CD1 4.36Å; M162-I206 HydrophobicContact SD-CB 4.39Å; M162-I206 HydrophobicContact SD-CD1 3.58Å; M162-I206 VanDerWaalsContact SD-CD1 3.58Å; M162-I206 HydrophobicContact SD-CG2 4.4Å; L165-I206 HydrophobicContact CB-CD1 3.54Å; L165-I206 HydrophobicContact CD1-CD1 4.05Å; L165-I206 HydrophobicContact CG-CD1 4.45Å; R166-I206 HydrophobicContact CG-CD1 4.01Å; R166-I206 HydrophobicContact CG-CG1 4.37Å; I173-I206 HydrophobicContact CG1-CG2 4.22Å; I173-I206 HydrophobicContact CG2-CG2 4.31Å; A201-I206 CarbonylContact C-O 3.39Å; A201-I206 HydrophobicContact CB-CB 4.17Å; A201-I206 HydrophobicContact CB-CG2 4.26Å; A201-I206 PolarHBondContact O-N 2.78Å; Y204-I206 PolarHBondContact O-N 3.47Å; Y204-I206 VanDerWaalsContact O-N 3.14Å
207	K	98.9	Very high	97.8	Very high	57 Å²	57	36.6 Å²	36.6	25%	0.248	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	155	173.5	-55.4	-60.3	-172.5	-175.1	0	111.4	Y90 G171 V172 I173 P238 A239 F241	Y90-K207 HydrophobicContact CD1-CG 3.87Å; Y90-K207 HydrophobicContact CE1-CG 3.69Å; G171-K207 PolarHBondContact O-N 2.88Å; V172-K207 CarbonylContact C-O 3.43Å; V172-K207 VanDerWaalsContact CA-O 3.29Å; V172-K207 WeakPolarHBondContact CA-O 3.46Å; V172-K207 HydrophobicContact CG1-CB 4.41Å; V172-K207 HydrophobicContact CG2-CB 4.26Å; I173-K207 PolarHBondContact N-O 2.82Å; K207-P238 PolarHBondContact NZ-O 3.22Å; K207-A239 CarbonylContact C-O 3.47Å; K207-A239 WeakPolarHBondContact CA-O 3.31Å; K207-F241 HydrophobicContact CB-CB 3.85Å; K207-F241 HydrophobicContact CB-CD2 3.6Å; K207-F241 HydrophobicContact CB-CG 4.17Å; K207-F241 HydrophobicContact CG-CD2 4.01Å
208	V	98.9	Very high	97.7	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	113	-177.2	-178	0	0	0	0	108.9	I173 V175 M194 L198 A201 A239 F241	I173-V208 HydrophobicContact CD1-CG2 4.1Å; I173-V208 HydrophobicContact CG1-CB 4.47Å; I173-V208 HydrophobicContact CG1-CG2 3.99Å; V175-V208 HydrophobicContact CG2-CG1 3.67Å; M194-V208 HydrophobicContact CE-CG1 3.88Å; L198-V208 HydrophobicContact CD2-CB 3.69Å; L198-V208 HydrophobicContact CD2-CG1 4.17Å; L198-V208 HydrophobicContact CD2-CG2 3.77Å; A201-V208 HydrophobicContact CB-CG2 3.65Å; V208-A239 HydrophobicContact CG2-CB 4.46Å; V208-A239 PolarHBondContact N-O 3.19Å; V208-F241 VanDerWaalsContact O-CB 3.3Å; V208-F241 WeakPolarHBondContact O-CB 3.39Å; V208-F241 PolarHBondContact O-N 3.05Å
209	A	98.9	Very high	97.6	Very high	2 Å²	2	40.4 Å²	40.4	2%	0.017	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	166.2	165.1	0	0	0	0	0	109.4	V172 I173 A174 V175 F241	V172-A209 HydrophobicContact CG1-CB 3.91Å; I173-A209 PolarHBondContact O-N 3.17Å; A174-A209 WeakPolarHBondContact CA-O 3.44Å; V175-A209 PolarHBondContact N-O 2.77Å; A209-F241 HydrophobicContact CB-CB 4.07Å; A209-F241 HydrophobicContact CB-CD1 4.08Å; A209-F241 HydrophobicContact CB-CG 4.39Å
210	F	98.8	Very high	97.5	Very high	1 Å²	1	36.8 Å²	36.8	0%	0.004	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	133.4	-178.6	-72.8	-103.8	0	0	0	110.5	W177 M194 I230 Y234 F240 F254 Y255	W177-F210 HydrophobicContact CB-CD1 3.88Å; W177-F210 AromaticContact CD1-CD1 3.65Å; W177-F210 AromaticContact CD1-CE1 3.6Å; W177-F210 HydrophobicContact CD2-CD1 4.26Å; W177-F210 AromaticContact CG-CD1 3.65Å; W177-F210 HydrophobicContact CG-CD1 3.65Å; W177-F210 HydrophobicContact CG-CE1 4.08Å; W177-F210 AromaticContact NE1-CE1 3.92Å; M194-F210 HydrophobicContact CE-CE1 3.66Å; M194-F210 HydrophobicContact CE-CE2 4.47Å; M194-F210 HydrophobicContact CE-CZ 3.61Å; M194-F210 HydrophobicContact SD-CE1 4.4Å; F210-I230 HydrophobicContact CB-CD1 4.49Å; F210-I230 HydrophobicContact CD1-CD1 3.86Å; F210-I230 HydrophobicContact CD1-CG1 4.23Å; F210-I230 HydrophobicContact CD1-CG2 4.16Å; F210-I230 HydrophobicContact CD2-CG2 3.71Å; F210-I230 HydrophobicContact CE1-CD1 4.29Å; F210-I230 HydrophobicContact CE1-CG1 4.16Å; F210-I230 HydrophobicContact CE1-CG2 3.97Å; F210-I230 HydrophobicContact CE2-CG2 3.52Å; F210-I230 HydrophobicContact CG-CD1 4.19Å; F210-I230 HydrophobicContact CG-CG2 4.04Å; F210-I230 HydrophobicContact CZ-CG2 3.65Å; F210-Y234 HydrophobicContact CE1-CD2 4.18Å; F210-Y234 HydrophobicContact CE1-CE2 4.33Å; F210-Y234 AromaticContact CZ-CD2 3.61Å; F210-Y234 HydrophobicContact CZ-CD2 3.61Å; F210-Y234 HydrophobicContact CZ-CE2 4.17Å; F210-Y234 HydrophobicContact CZ-CG 4.3Å; F210-F240 HydrophobicContact CD2-CE2 4.1Å; F210-F240 AromaticContact CE2-CD2 3.96Å; F210-F240 HydrophobicContact CE2-CD2 3.96Å; F210-F240 AromaticContact CE2-CE2 3.56Å; F210-F240 HydrophobicContact CE2-CE2 3.56Å; F210-F254 HydrophobicContact CB-CD1 3.71Å; F210-F254 HydrophobicContact CB-CE1 3.9Å; F210-F254 HydrophobicContact CD2-CE1 4.33Å; F210-F254 HydrophobicContact CG-CE1 4.25Å; F210-F254 WeakPolarHBondContact O-CA 3.29Å; F210-Y255 PolarHBondContact O-N 3.37Å
211	H	98.9	Very high	97.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	95.7	172.5	-176.7	-154.2	0	0	0	107.9	F95 A174 V175 W177 E213 Y255 Y257 Y310 Y312	F95-H211 HydrophobicContact CD1-CB 4.32Å; F95-H211 AromaticContact CD1-CE1 3.82Å; F95-H211 AromaticContact CD1-CG 3.84Å; F95-H211 AromaticContact CD1-ND1 3.36Å; F95-H211 WeakPolarHBondContact CD1-ND1 3.24Å; F95-H211 HydrophobicContact CE1-CB 4.5Å; F95-H211 AromaticContact CE1-CE1 3.94Å; F95-H211 AromaticContact CE1-CG 3.9Å; F95-H211 AromaticContact CE1-ND1 3.76Å; A174-H211 HydrophobicContact CB-CB 4.35Å; V175-H211 WeakPolarHBondContact O-CB 3.4Å; V175-H211 PolarHBondContact O-N 2.82Å; W177-H211 PolarHBondContact N-O 3.25Å; H211-E213 PolarHBondContact O-N 2.92Å; H211-Y255 CarbonylContact C-O 3.02Å; H211-Y257 WeakPolarHBondContact NE2-CB 3.35Å; H211-Y257 AromaticContact NE2-CD2 3.69Å; H211-Y257 AromaticContact NE2-CG 3.79Å; H211-Y310 AromaticContact NE2-CZ 3.86Å; H211-Y310 PolarHBondContact NE2-OH 2.97Å; H211-Y312 AromaticContact CE1-CD2 3.92Å; H211-Y312 AromaticContact CE1-CE2 3.58Å
212	I	98.7	Very high	97.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	111.3	-173.3	-55.3	177.4	0	0	0	108.8	W177 Y215 R218 M223 V227 F254 Y255 Y257	W177-I212 HydrophobicContact CE3-CG2 4.46Å; I212-Y215 HydrophobicContact CG2-CE1 4.05Å; I212-R218 PolarHBondContact O-NH1 3.1Å; I212-M223 HydrophobicContact CD1-CE 3.71Å; I212-M223 HydrophobicContact CG2-CE 4.28Å; I212-M223 HydrophobicContact CG2-SD 4.05Å; I212-V227 HydrophobicContact CD1-CG2 4.42Å; I212-F254 HydrophobicContact CD1-CB 4.16Å; I212-F254 HydrophobicContact CD1-CD1 3.75Å; I212-F254 HydrophobicContact CD1-CG 4.2Å; I212-F254 HydrophobicContact CG1-CD1 4.2Å; I212-Y255 PolarHBondContact N-O 3.18Å; I212-Y257 PolarHBondContact O-N 2.74Å
213	E	98.2	Very high	97.3	Very high	10 Å²	10	37.8 Å²	37.8	5%	0.047	20%	0.197	C	C	.	.			trans	-73.3	162.3	179.9	-66.4	-68.9	-176.2	0	0	112	S176 W177 Y178 H211 Y215 R218 Y257	S176-E213 WeakPolarHBondContact CB-OE1 3.27Å; S176-E213 VanDerWaalsContact OG-CG 3.23Å; S176-E213 WeakPolarHBondContact OG-CG 3.45Å; S176-E213 PolarHBondContact OG-OE1 3.03Å; W177-E213 PolarHBondContact O-N 2.83Å; W177-E213 VanDerWaalsContact O-N 3.07Å; Y178-E213 HydrophobicContact CD1-CB 4.28Å; Y178-E213 HydrophobicContact CD2-CB 3.96Å; Y178-E213 HydrophobicContact CD2-CG 4Å; Y178-E213 HydrophobicContact CE1-CB 3.81Å; Y178-E213 HydrophobicContact CE2-CB 3.47Å; Y178-E213 VanDerWaalsContact CE2-CB 3.47Å; Y178-E213 HydrophobicContact CE2-CG 3.5Å; Y178-E213 VanDerWaalsContact CE2-CG 3.5Å; Y178-E213 HydrophobicContact CG-CB 4.34Å; H211-E213 PolarHBondContact O-N 2.92Å; E213-Y215 WeakPolarHBondContact O-CD1 3.17Å; E213-Y215 PolarHBondContact O-N 3.48Å; E213-R218 VanDerWaalsContact C-NH1 3.33Å; E213-R218 PolarHBondContact O-NH1 2.96Å; E213-Y257 WeakPolarHBondContact OE2-CD1 3.49Å
214	P	95.5	Very high	97.4	Very high	38 Å²	38	36.8 Å²	36.8	25%	0.247	19%	0.192	C	C	.	.			trans	-70.4	112.5	168.1	29.4	-33.7	0	0	0	109.1	Y178 Y257 L261	Y178-P214 WeakPolarHBondContact CE1-O 3.12Å; P214-Y257 HydrophobicContact CG-CD1 4.19Å; P214-L261 HydrophobicContact CB-CD1 4.21Å
215	Y	95.1	Very high	97.4	Very high	23 Å²	23	40.3 Å²	40.3	9%	0.09	21%	0.214	C	C	.	.			trans	-107.9	156.2	170.1	57	-95.1	0	0	0	110.9	P179 I212 E213 G217 R218 N222 M223 N226	P179-Y215 VanDerWaalsContact CD-CD1 3.42Å; P179-Y215 HydrophobicContact CG-CD1 3.57Å; P179-Y215 HydrophobicContact CG-CD2 4.07Å; P179-Y215 HydrophobicContact CG-CE1 3.65Å; P179-Y215 HydrophobicContact CG-CE2 4.15Å; P179-Y215 HydrophobicContact CG-CG 3.79Å; I212-Y215 HydrophobicContact CG2-CE1 4.05Å; E213-Y215 WeakPolarHBondContact O-CD1 3.17Å; E213-Y215 PolarHBondContact O-N 3.48Å; Y215-G217 PolarHBondContact O-N 2.84Å; Y215-R218 HydrophobicContact CD1-CB 4.42Å; Y215-R218 HydrophobicContact CD1-CG 4.46Å; Y215-R218 HydrophobicContact CD2-CB 3.88Å; Y215-R218 HydrophobicContact CE1-CB 4.18Å; Y215-R218 HydrophobicContact CE1-CG 3.84Å; Y215-R218 HydrophobicContact CE2-CB 3.6Å; Y215-R218 HydrophobicContact CE2-CG 3.93Å; Y215-R218 HydrophobicContact CG-CB 4.29Å; Y215-R218 WeakPolarHBondContact O-CB 3.31Å; Y215-R218 PolarHBondContact O-N 2.85Å; Y215-R218 VanDerWaalsContact O-N 3.12Å; Y215-N222 WeakPolarHBondContact CE2-OD1 3.42Å; Y215-N222 VanDerWaalsContact CZ-OD1 3.31Å; Y215-N222 PolarHBondContact OH-OD1 2.96Å; Y215-M223 HydrophobicContact CE1-SD 4.22Å; Y215-M223 PolarHBondContact OH-SD 3.12Å; Y215-M223 VanDerWaalsContact OH-SD 3.41Å; Y215-N226 PolarHBondContact OH-ND2 3.46Å
216	K	93.3	Very high	97.4	Very high	215 Å²	215	37.8 Å²	37.8	94%	0.935	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	125.1	-176.7	-175.3	176.7	-179.5	178	0	111	R218	K216-R218 VanDerWaalsContact C-N 3.34Å
217	G	94.3	Very high	97.4	Very high	56 Å²	56	37.8 Å²	37.8	58%	0.577	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.3	15.2	177.5	0	0	0	0	0	114.7	Y215 D219 N222	Y215-G217 PolarHBondContact O-N 2.84Å; G217-D219 PolarHBondContact O-N 3.22Å; G217-N222 PolarHBondContact O-ND2 3.06Å
218	R	96.4	Very high	97.3	Very high	29 Å²	29	38 Å²	38	11%	0.109	21%	0.205	C	C	.	.			trans	-50.9	122.7	175	-175.7	169	73.8	175.1	6.6	111.7	I212 E213 Y215 K216 N222 M223 Y257 D258	I212-R218 PolarHBondContact O-NH1 3.1Å; E213-R218 VanDerWaalsContact C-NH1 3.33Å; E213-R218 PolarHBondContact O-NH1 2.96Å; Y215-R218 HydrophobicContact CD1-CB 4.42Å; Y215-R218 HydrophobicContact CD1-CG 4.46Å; Y215-R218 HydrophobicContact CD2-CB 3.88Å; Y215-R218 HydrophobicContact CE1-CB 4.18Å; Y215-R218 HydrophobicContact CE1-CG 3.84Å; Y215-R218 HydrophobicContact CE2-CB 3.6Å; Y215-R218 HydrophobicContact CE2-CG 3.93Å; Y215-R218 HydrophobicContact CG-CB 4.29Å; Y215-R218 WeakPolarHBondContact O-CB 3.31Å; Y215-R218 PolarHBondContact O-N 2.85Å; Y215-R218 VanDerWaalsContact O-N 3.12Å; K216-R218 VanDerWaalsContact C-N 3.34Å; R218-N222 WeakPolarHBondContact CA-OD1 3.5Å; R218-M223 VanDerWaalsContact CD-SD 3.6Å; R218-M223 HydrophobicContact CG-CG 3.8Å; R218-M223 HydrophobicContact CG-SD 3.76Å; R218-Y257 VanDerWaalsContact CZ-O 3.29Å; R218-Y257 PolarHBondContact NH1-O 3.37Å; R218-Y257 PolarHBondContact NH2-O 3.39Å; R218-D258 PolarHBondContact NH2-O 2.89Å
219	D	96.9	Very high	97.3	Very high	53 Å²	53	41.1 Å²	41.1	28%	0.283	22%	0.217	S	C	.	.			trans	-144.2	178.3	179.9	68.5	26	0	0	0	110.9	G217 V221 N222 M223 M262	G217-D219 PolarHBondContact O-N 3.22Å; D219-V221 VanDerWaalsContact C-N 3.26Å; D219-V221 PolarHBondContact O-N 3.3Å; D219-V221 WeakPolarHBondContact OD1-CA 3.29Å; D219-V221 WeakPolarHBondContact OD1-CB 3.25Å; D219-V221 PolarHBondContact OD1-N 2.95Å; D219-N222 PolarHBondContact N-ND2 2.88Å; D219-N222 PolarHBondContact N-OD1 2.9Å; D219-N222 PolarHBondContact O-OD1 2.79Å; D219-N222 PolarHBondContact OD1-N 2.97Å; D219-N222 PolarHBondContact OD1-ND2 2.93Å; D219-N222 PolarHBondContact OD2-ND2 2.79Å; D219-M223 WeakPolarHBondContact O-CB 3.43Å; D219-M223 WeakPolarHBondContact O-CG 3.26Å; D219-M223 PolarHBondContact O-N 2.93Å; D219-M262 VanDerWaalsContact C-SD 3.59Å; D219-M262 VanDerWaalsContact CA-SD 3.55Å
220	E	96.6	Very high	97.3	Very high	22 Å²	22	41 Å²	41	10%	0.103	22%	0.216	C	C	.	.	H	α-helix	trans	-62.7	-31	-177.9	68.6	-88.2	-151.7	0	0	113.7	F224 M262 Q266 K269 L270	E220-F224 PolarHBondContact O-N 2.85Å; E220-F224 VanDerWaalsContact O-N 3.14Å; E220-M262 HydrophobicContact CB-CE 4.26Å; E220-M262 HydrophobicContact CB-SD 4.49Å; E220-M262 PolarHBondContact N-SD 3.27Å; E220-M262 VanDerWaalsContact N-SD 3.44Å; E220-Q266 WeakPolarHBondContact CB-O 3.32Å; E220-Q266 PolarHBondContact OE2-NE2 2.91Å; E220-K269 HydrophobicContact CG-CB 4.42Å; E220-K269 HydrophobicContact CG-CD 4.17Å; E220-K269 WeakPolarHBondContact OE1-CD 3.43Å; E220-K269 IonicContact OE1-NZ 2.83Å; E220-K269 PolarHBondContact OE1-NZ 2.76Å; E220-L270 HydrophobicContact CB-CB 4.21Å
221	V	96.9	Very high	97.3	Very high	94 Å²	94	42.1 Å²	42.1	57%	0.57	22%	0.222	S	C	*	.	H	α-helix	trans	-78.5	-47.8	-174.7	-179.6	0	0	0	0	110.6	D219 F224 T225	D219-V221 VanDerWaalsContact C-N 3.26Å; D219-V221 PolarHBondContact O-N 3.3Å; D219-V221 WeakPolarHBondContact OD1-CA 3.29Å; D219-V221 WeakPolarHBondContact OD1-CB 3.25Å; D219-V221 PolarHBondContact OD1-N 2.95Å; V221-F224 PolarHBondContact O-N 2.75Å; V221-T225 PolarHBondContact O-N 2.95Å; V221-T225 VanDerWaalsContact O-N 3.08Å; V221-T225 PolarHBondContact O-OG1 2.84Å
222	N	97	Very high	97.3	Very high	39 Å²	39	46.4 Å²	46.4	21%	0.209	24%	0.244	C	C	.	.	H	α-helix	trans	-74.7	-28.8	177.3	65.1	52.3	0	0	0	111.8	Y215 G217 R218 D219 T225 N226	Y215-N222 WeakPolarHBondContact CE2-OD1 3.42Å; Y215-N222 VanDerWaalsContact CZ-OD1 3.31Å; Y215-N222 PolarHBondContact OH-OD1 2.96Å; G217-N222 PolarHBondContact O-ND2 3.06Å; R218-N222 WeakPolarHBondContact CA-OD1 3.5Å; D219-N222 PolarHBondContact N-ND2 2.88Å; D219-N222 PolarHBondContact N-OD1 2.9Å; D219-N222 PolarHBondContact O-OD1 2.79Å; D219-N222 PolarHBondContact OD1-N 2.97Å; D219-N222 PolarHBondContact OD1-ND2 2.93Å; D219-N222 PolarHBondContact OD2-ND2 2.79Å; N222-T225 PolarHBondContact O-N 3.32Å; N222-N226 VanDerWaalsContact O-CB 3.31Å; N222-N226 WeakPolarHBondContact O-CB 3.33Å; N222-N226 PolarHBondContact O-N 3.44Å; N222-N226 PolarHBondContact O-ND2 2.68Å
223	M	98.1	Very high	97.3	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.1	-46.6	168.5	-79.7	-65.3	-57.6	0	0	111.5	I212 Y215 R218 D219 T225 N226 V227 V256 W267 L270	I212-M223 HydrophobicContact CD1-CE 3.71Å; I212-M223 HydrophobicContact CG2-CE 4.28Å; I212-M223 HydrophobicContact CG2-SD 4.05Å; Y215-M223 HydrophobicContact CE1-SD 4.22Å; Y215-M223 PolarHBondContact OH-SD 3.12Å; Y215-M223 VanDerWaalsContact OH-SD 3.41Å; R218-M223 VanDerWaalsContact CD-SD 3.6Å; R218-M223 HydrophobicContact CG-CG 3.8Å; R218-M223 HydrophobicContact CG-SD 3.76Å; D219-M223 WeakPolarHBondContact O-CB 3.43Å; D219-M223 WeakPolarHBondContact O-CG 3.26Å; D219-M223 PolarHBondContact O-N 2.93Å; M223-T225 VanDerWaalsContact C-N 3.33Å; M223-T225 PolarHBondContact O-N 2.91Å; M223-N226 PolarHBondContact O-N 2.58Å; M223-V227 VanDerWaalsContact O-CG2 3.31Å; M223-V227 WeakPolarHBondContact O-CG2 3.39Å; M223-V227 PolarHBondContact O-N 3.18Å; M223-V256 HydrophobicContact CE-CG2 4.43Å; M223-W267 HydrophobicContact CE-CH2 3.83Å; M223-W267 HydrophobicContact CE-CZ3 4.05Å; M223-W267 HydrophobicContact CG-CH2 4.01Å; M223-W267 HydrophobicContact CG-CZ3 4.21Å; M223-W267 HydrophobicContact SD-CH2 4.25Å; M223-L270 HydrophobicContact CB-CD2 3.74Å
224	F	98	Very high	97.3	Very high	56 Å²	56	50.9 Å²	50.9	25%	0.246	26%	0.264	C	S	.	.	H	α-helix	trans	-56.4	-48.9	173.1	-178.7	-84.8	0	0	0	111.4	E220 V221 N226 V227 K228 L270 I279 Y284	E220-F224 PolarHBondContact O-N 2.85Å; E220-F224 VanDerWaalsContact O-N 3.14Å; V221-F224 PolarHBondContact O-N 2.75Å; F224-N226 VanDerWaalsContact C-N 3.3Å; F224-N226 PolarHBondContact O-N 2.54Å; F224-V227 PolarHBondContact O-N 2.87Å; F224-K228 HydrophobicContact CE1-CB 4.45Å; F224-K228 HydrophobicContact CE1-CD 4.21Å; F224-K228 WeakPolarHBondContact O-CB 3.32Å; F224-K228 PolarHBondContact O-N 3.44Å; F224-L270 HydrophobicContact CB-CD1 3.75Å; F224-L270 HydrophobicContact CD2-CD1 3.88Å; F224-L270 HydrophobicContact CG-CD1 4.33Å; F224-I279 HydrophobicContact CD2-CB 4.15Å; F224-I279 HydrophobicContact CD2-CD1 4.3Å; F224-I279 HydrophobicContact CD2-CG1 4.05Å; F224-I279 HydrophobicContact CE2-CB 4.29Å; F224-I279 HydrophobicContact CE2-CG1 3.98Å; F224-Y284 HydrophobicContact CE2-CD2 4.49Å; F224-Y284 AromaticContact CZ-CD2 3.94Å; F224-Y284 HydrophobicContact CZ-CD2 3.94Å; F224-Y284 HydrophobicContact CZ-CE2 4.45Å
225	T	98.2	Very high	97.5	Very high	80 Å²	80	49.1 Å²	49.1	49%	0.491	25%	0.253	S	S	.	.	H	α-helix	trans	-58.6	-42.9	-179.3	-57.7	0	0	0	0	111.7	V221 N222 M223 Y229	V221-T225 PolarHBondContact O-N 2.95Å; V221-T225 VanDerWaalsContact O-N 3.08Å; V221-T225 PolarHBondContact O-OG1 2.84Å; N222-T225 PolarHBondContact O-N 3.32Å; M223-T225 VanDerWaalsContact C-N 3.33Å; M223-T225 PolarHBondContact O-N 2.91Å; T225-Y229 WeakPolarHBondContact O-CB 3.26Å; T225-Y229 PolarHBondContact O-N 3.3Å
226	N	98.4	Very high	97.6	Very high	18 Å²	18	55.6 Å²	55.6	10%	0.096	29%	0.289	C	S	.	.	H	α-helix	trans	-72.1	-40.1	-179.6	-72.9	-33.4	0	0	0	112.6	W177 P179 Y215 N222 M223 F224 Y229 I230	W177-N226 HydrophobicContact CH2-CB 3.84Å; W177-N226 HydrophobicContact CZ3-CB 4.02Å; P179-N226 VanDerWaalsContact CG-ND2 3.31Å; P179-N226 WeakPolarHBondContact CG-ND2 3.4Å; Y215-N226 PolarHBondContact OH-ND2 3.46Å; N222-N226 VanDerWaalsContact O-CB 3.31Å; N222-N226 WeakPolarHBondContact O-CB 3.33Å; N222-N226 PolarHBondContact O-N 3.44Å; N222-N226 PolarHBondContact O-ND2 2.68Å; M223-N226 PolarHBondContact O-N 2.58Å; F224-N226 VanDerWaalsContact C-N 3.3Å; F224-N226 PolarHBondContact O-N 2.54Å; N226-Y229 WeakPolarHBondContact O-CB 3.28Å; N226-Y229 PolarHBondContact O-N 3.28Å; N226-I230 WeakPolarHBondContact O-CG1 3.42Å; N226-I230 PolarHBondContact O-N 2.78Å
227	V	98.6	Very high	97.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63.5	-45.5	174.1	172.2	0	0	0	0	110.4	I212 M223 F224 Y229 I230 I231 F254 I279 F288	I212-V227 HydrophobicContact CD1-CG2 4.42Å; M223-V227 VanDerWaalsContact O-CG2 3.31Å; M223-V227 WeakPolarHBondContact O-CG2 3.39Å; M223-V227 PolarHBondContact O-N 3.18Å; F224-V227 PolarHBondContact O-N 2.87Å; V227-Y229 VanDerWaalsContact C-N 3.32Å; V227-Y229 PolarHBondContact O-N 3.43Å; V227-I230 PolarHBondContact O-N 3.43Å; V227-I231 HydrophobicContact CG1-CD1 3.67Å; V227-I231 HydrophobicContact CG1-CG1 4.37Å; V227-I231 WeakPolarHBondContact O-CG1 3.39Å; V227-I231 PolarHBondContact O-N 3.34Å; V227-F254 HydrophobicContact CG1-CE2 3.79Å; V227-F254 HydrophobicContact CG1-CZ 4Å; V227-I279 HydrophobicContact CB-CD1 3.99Å; V227-I279 HydrophobicContact CG1-CD1 3.47Å; V227-I279 VanDerWaalsContact CG1-CD1 3.47Å; V227-F288 HydrophobicContact CG1-CZ 4.3Å; V227-F288 HydrophobicContact CG2-CE1 3.79Å; V227-F288 HydrophobicContact CG2-CZ 3.95Å
228	K	98.6	Very high	98.1	Very high	63 Å²	63	47.7 Å²	47.7	27%	0.274	25%	0.245	S	C	.	.	H	α-helix	trans	-56.3	-47.1	173.7	170	164.7	171.1	43	0	111.3	F224 I230 I231 D232 Y284	F224-K228 HydrophobicContact CE1-CB 4.45Å; F224-K228 HydrophobicContact CE1-CD 4.21Å; F224-K228 WeakPolarHBondContact O-CB 3.32Å; F224-K228 PolarHBondContact O-N 3.44Å; K228-I230 PolarHBondContact O-N 3.27Å; K228-I231 PolarHBondContact O-N 3.2Å; K228-D232 WeakPolarHBondContact CG-OD2 3.49Å; K228-D232 IonicContact NZ-OD1 3.07Å; K228-D232 PolarHBondContact NZ-OD1 2.82Å; K228-D232 IonicContact NZ-OD2 3.99Å; K228-D232 PolarHBondContact NZ-OD2 3.29Å; K228-D232 WeakPolarHBondContact O-CB 3.12Å; K228-D232 VanDerWaalsContact O-CG 3.24Å; K228-D232 PolarHBondContact O-N 2.75Å; K228-Y284 HydrophobicContact CB-CD1 4.05Å; K228-Y284 HydrophobicContact CB-CE1 4.24Å; K228-Y284 HydrophobicContact CB-CG 4.21Å; K228-Y284 HydrophobicContact CD-CD2 4.38Å; K228-Y284 HydrophobicContact CD-CE1 4.06Å; K228-Y284 HydrophobicContact CD-CE2 3.82Å; K228-Y284 HydrophobicContact CG-CD1 4.01Å; K228-Y284 HydrophobicContact CG-CE1 3.67Å; K228-Y284 HydrophobicContact CG-CE2 4.25Å; K228-Y284 HydrophobicContact CG-CG 4.44Å; K228-Y284 VanDerWaalsContact NZ-CZ 3.35Å; K228-Y284 PolarHBondContact NZ-OH 2.97Å
229	Y	98.7	Very high	98.2	Very high	64 Å²	64	46.3 Å²	46.3	25%	0.251	24%	0.24	S	C	.	.	H	α-helix	trans	-57.5	-48.8	177	171.5	-97.7	0	0	0	112.5	W177 P180 D191 T225 N226 V227 I231 D232 K233 Y234	W177-Y229 HydrophobicContact CZ2-CD1 4.01Å; W177-Y229 HydrophobicContact CZ2-CE1 4.14Å; P180-Y229 HydrophobicContact CG-CD1 4.19Å; P180-Y229 HydrophobicContact CG-CE1 3.47Å; P180-Y229 VanDerWaalsContact CG-CE1 3.47Å; P180-Y229 HydrophobicContact CG-CE2 4.09Å; P180-Y229 WeakPolarHBondContact CG-OH 3.4Å; D191-Y229 PolarHBondContact OD2-OH 2.9Å; T225-Y229 WeakPolarHBondContact O-CB 3.26Å; T225-Y229 PolarHBondContact O-N 3.3Å; N226-Y229 WeakPolarHBondContact O-CB 3.28Å; N226-Y229 PolarHBondContact O-N 3.28Å; V227-Y229 VanDerWaalsContact C-N 3.32Å; V227-Y229 PolarHBondContact O-N 3.43Å; Y229-I231 PolarHBondContact O-N 2.78Å; Y229-D232 PolarHBondContact O-N 3.03Å; Y229-K233 HydrophobicContact CE1-CD 4.04Å; Y229-K233 HydrophobicContact CE2-CD 3.77Å; Y229-K233 VanDerWaalsContact CZ-CD 3.4Å; Y229-K233 WeakPolarHBondContact O-CB 3.5Å; Y229-K233 PolarHBondContact O-N 3.34Å; Y229-K233 WeakPolarHBondContact OH-CD 3.46Å; Y229-K233 PolarHBondContact OH-NZ 2.82Å; Y229-Y234 HydrophobicContact CE1-CE2 4.35Å
230	I	98.8	Very high	98.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-61	-45.8	179.6	-70.8	165.2	0	0	0	110.8	W177 F210 N226 V227 K228 Y234 F240 F254	W177-I230 HydrophobicContact CD2-CD1 3.95Å; W177-I230 HydrophobicContact CE3-CD1 3.95Å; W177-I230 HydrophobicContact CH2-CD1 3.84Å; W177-I230 HydrophobicContact CH2-CG1 4.1Å; W177-I230 HydrophobicContact CZ2-CD1 3.87Å; W177-I230 HydrophobicContact CZ2-CG1 3.78Å; W177-I230 HydrophobicContact CZ3-CD1 3.9Å; F210-I230 HydrophobicContact CB-CD1 4.49Å; F210-I230 HydrophobicContact CD1-CD1 3.86Å; F210-I230 HydrophobicContact CD1-CG1 4.23Å; F210-I230 HydrophobicContact CD1-CG2 4.16Å; F210-I230 HydrophobicContact CD2-CG2 3.71Å; F210-I230 HydrophobicContact CE1-CD1 4.29Å; F210-I230 HydrophobicContact CE1-CG1 4.16Å; F210-I230 HydrophobicContact CE1-CG2 3.97Å; F210-I230 HydrophobicContact CE2-CG2 3.52Å; F210-I230 HydrophobicContact CG-CD1 4.19Å; F210-I230 HydrophobicContact CG-CG2 4.04Å; F210-I230 HydrophobicContact CZ-CG2 3.65Å; N226-I230 WeakPolarHBondContact O-CG1 3.42Å; N226-I230 PolarHBondContact O-N 2.78Å; V227-I230 PolarHBondContact O-N 3.43Å; K228-I230 PolarHBondContact O-N 3.27Å; I230-Y234 HydrophobicContact CG2-CD2 4.22Å; I230-Y234 WeakPolarHBondContact O-CA 3.44Å; I230-Y234 WeakPolarHBondContact O-CB 3.41Å; I230-Y234 PolarHBondContact O-N 3.43Å; I230-F240 HydrophobicContact CG2-CE2 3.71Å; I230-F240 HydrophobicContact CG2-CZ 4.2Å; I230-F254 HydrophobicContact CB-CE1 4.26Å; I230-F254 HydrophobicContact CB-CZ 4.43Å; I230-F254 HydrophobicContact CD1-CE1 3.85Å; I230-F254 HydrophobicContact CG2-CE1 3.76Å; I230-F254 HydrophobicContact CG2-CZ 3.97Å
231	I	98.8	Very high	98.4	Very high	25 Å²	25	43.9 Å²	43.9	13%	0.128	23%	0.227	C	C	.	.	H	α-helix	trans	-67.6	-45.5	-179.1	-66.8	172.2	0	0	0	111	V227 K228 Y229 K233 G235 F240 P252 F254 Y284	V227-I231 HydrophobicContact CG1-CD1 3.67Å; V227-I231 HydrophobicContact CG1-CG1 4.37Å; V227-I231 WeakPolarHBondContact O-CG1 3.39Å; V227-I231 PolarHBondContact O-N 3.34Å; K228-I231 PolarHBondContact O-N 3.2Å; Y229-I231 PolarHBondContact O-N 2.78Å; I231-K233 PolarHBondContact O-N 3.48Å; I231-G235 WeakPolarHBondContact O-CA 3.17Å; I231-G235 PolarHBondContact O-N 3.45Å; I231-F240 HydrophobicContact CG1-CZ 4.49Å; I231-P252 HydrophobicContact CD1-CG 3.94Å; I231-P252 HydrophobicContact CG1-CG 4.12Å; I231-F254 HydrophobicContact CD1-CE2 4.39Å; I231-F254 HydrophobicContact CD1-CZ 4.49Å; I231-F254 HydrophobicContact CG1-CZ 4.22Å; I231-Y284 HydrophobicContact CB-CD1 4.31Å; I231-Y284 HydrophobicContact CD1-CD1 4.47Å; I231-Y284 WeakPolarHBondContact CD1-O 3.28Å; I231-Y284 HydrophobicContact CG2-CD1 4.21Å
232	D	98.7	Very high	98.5	Very high	89 Å²	89	43.3 Å²	43.3	48%	0.476	22%	0.217	S	C	.	.	H	α-helix	trans	-62.3	-43.4	178.2	-74.2	-18.7	0	0	0	111.9	K228 Y229 Y284	K228-D232 WeakPolarHBondContact CG-OD2 3.49Å; K228-D232 IonicContact NZ-OD1 3.07Å; K228-D232 PolarHBondContact NZ-OD1 2.82Å; K228-D232 IonicContact NZ-OD2 3.99Å; K228-D232 PolarHBondContact NZ-OD2 3.29Å; K228-D232 WeakPolarHBondContact O-CB 3.12Å; K228-D232 VanDerWaalsContact O-CG 3.24Å; K228-D232 PolarHBondContact O-N 2.75Å; Y229-D232 PolarHBondContact O-N 3.03Å; D232-Y284 WeakPolarHBondContact OD1-CE1 3.35Å
233	K	98.6	Very high	98.5	Very high	97 Å²	97	43 Å²	43	42%	0.422	21%	0.213	S	C	.	.	H	α-helix	trans	-81.5	-34.6	-172.3	-166.9	174.6	173.4	-166.5	0	112.6	D191 Y229 I231	D191-K233 IonicContact OD2-NZ 3.21Å; D191-K233 PolarHBondContact OD2-NZ 3.05Å; Y229-K233 HydrophobicContact CE1-CD 4.04Å; Y229-K233 HydrophobicContact CE2-CD 3.77Å; Y229-K233 VanDerWaalsContact CZ-CD 3.4Å; Y229-K233 WeakPolarHBondContact O-CB 3.5Å; Y229-K233 PolarHBondContact O-N 3.34Å; Y229-K233 WeakPolarHBondContact OH-CD 3.46Å; Y229-K233 PolarHBondContact OH-NZ 2.82Å; I231-K233 PolarHBondContact O-N 3.48Å
234	Y	98.6	Very high	98.4	Very high	7 Å²	7	50 Å²	50	3%	0.027	24%	0.239	C	C	.	.	H	α-helix	trans	-125.2	-14.5	-169.5	-50.5	-54.4	0	0	0	114.3	D191 M194 P195 L198 F210 Y229 I230 D236 H237 F240	D191-Y234 PolarHBondContact O-OH 3.36Å; D191-Y234 PolarHBondContact OD1-OH 3.32Å; D191-Y234 PolarHBondContact OD2-OH 3.11Å; M194-Y234 HydrophobicContact CB-CD1 4.49Å; M194-Y234 HydrophobicContact CB-CE1 3.81Å; M194-Y234 HydrophobicContact CB-CE2 4.11Å; M194-Y234 HydrophobicContact CG-CE2 4.36Å; P195-Y234 HydrophobicContact CG-CE1 4.17Å; L198-Y234 HydrophobicContact CD1-CD1 3.68Å; L198-Y234 HydrophobicContact CD1-CG 3.94Å; F210-Y234 HydrophobicContact CE1-CD2 4.18Å; F210-Y234 HydrophobicContact CE1-CE2 4.33Å; F210-Y234 AromaticContact CZ-CD2 3.61Å; F210-Y234 HydrophobicContact CZ-CD2 3.61Å; F210-Y234 HydrophobicContact CZ-CE2 4.17Å; F210-Y234 HydrophobicContact CZ-CG 4.3Å; Y229-Y234 HydrophobicContact CE1-CE2 4.35Å; I230-Y234 HydrophobicContact CG2-CD2 4.22Å; I230-Y234 WeakPolarHBondContact O-CA 3.44Å; I230-Y234 WeakPolarHBondContact O-CB 3.41Å; I230-Y234 PolarHBondContact O-N 3.43Å; Y234-D236 PolarHBondContact O-N 2.62Å; Y234-D236 VanDerWaalsContact O-N 3.17Å; Y234-H237 WeakPolarHBondContact O-CB 3.46Å; Y234-H237 PolarHBondContact O-N 2.9Å; Y234-F240 WeakPolarHBondContact O-CB 3.44Å; Y234-F240 WeakPolarHBondContact O-CD2 3.4Å
235	G	98.4	Very high	98.1	Very high	2 Å²	2	48.9 Å²	48.9	2%	0.021	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-19	-168.7	0	0	0	0	0	115.8	I231 K242	I231-G235 WeakPolarHBondContact O-CA 3.17Å; I231-G235 PolarHBondContact O-N 3.45Å; G235-K242 WeakPolarHBondContact O-CE 3.15Å; G235-K242 PolarHBondContact O-NZ 2.91Å
236	D	98.3	Very high	97.4	Very high	158 Å²	158	52.9 Å²	52.9	85%	0.845	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-11.9	175	-72.1	-21.5	0	0	0	113	Y234	Y234-D236 PolarHBondContact O-N 2.62Å; Y234-D236 VanDerWaalsContact O-N 3.17Å
237	H	98.8	Very high	96.8	Very high	42 Å²	42	56.4 Å²	56.4	19%	0.194	29%	0.287	C	S	.	.	S	Bend	trans	-66.8	134.1	179.6	-168.8	-82.9	0	0	0	110.6	L198 D199 Y234 A239 F240	L198-H237 HydrophobicContact CD1-CB 4.29Å; L198-H237 HydrophobicContact CD2-CB 4.44Å; L198-H237 PolarHBondContact O-CE1 3.05Å; D199-H237 IonicContact OD1-NE2 3.88Å; D199-H237 PolarHBondContact OD1-NE2 3.12Å; Y234-H237 WeakPolarHBondContact O-CB 3.46Å; Y234-H237 PolarHBondContact O-N 2.9Å; H237-A239 WeakPolarHBondContact ND1-CB 3.42Å; H237-A239 PolarHBondContact ND1-N 3.11Å; H237-A239 PolarHBondContact O-N 3.27Å; H237-A239 VanDerWaalsContact O-N 3.12Å; H237-F240 HydrophobicContact CB-CB 4.48Å; H237-F240 WeakPolarHBondContact O-CB 3.36Å; H237-F240 PolarHBondContact O-N 2.81Å
238	P	98.5	Very high	96.5	Very high	63 Å²	63	58 Å²	58	41%	0.409	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-21.9	-175.3	24.8	-36.4	0	0	0	114.3	H202 K207	H202-P238 HydrophobicContact CB-CG 4.44Å; K207-P238 PolarHBondContact NZ-O 3.22Å
239	A	98.8	Very high	96.3	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-11.7	171.3	0	0	0	0	0	114.2	L198 A201 H202 K207 V208 H237 F241	L198-A239 HydrophobicContact CD2-CB 4.03Å; L198-A239 WeakPolarHBondContact O-CB 3.31Å; A201-A239 HydrophobicContact CB-CB 4.04Å; H202-A239 HydrophobicContact CB-CB 4Å; K207-A239 CarbonylContact C-O 3.47Å; K207-A239 WeakPolarHBondContact CA-O 3.31Å; V208-A239 HydrophobicContact CG2-CB 4.46Å; V208-A239 PolarHBondContact N-O 3.19Å; H237-A239 WeakPolarHBondContact ND1-CB 3.42Å; H237-A239 PolarHBondContact ND1-N 3.11Å; H237-A239 PolarHBondContact O-N 3.27Å; H237-A239 VanDerWaalsContact O-N 3.12Å; A239-F241 PolarHBondContact O-N 3.03Å
240	F	98.9	Very high	96.2	Very high	14 Å²	14	60.7 Å²	60.7	6%	0.061	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-62.4	123.8	178.2	-171.9	-84.5	0	0	0	110.3	F210 I230 I231 Y234 H237 K242 P252 F254	F210-F240 HydrophobicContact CD2-CE2 4.1Å; F210-F240 AromaticContact CE2-CD2 3.96Å; F210-F240 HydrophobicContact CE2-CD2 3.96Å; F210-F240 AromaticContact CE2-CE2 3.56Å; F210-F240 HydrophobicContact CE2-CE2 3.56Å; I230-F240 HydrophobicContact CG2-CE2 3.71Å; I230-F240 HydrophobicContact CG2-CZ 4.2Å; I231-F240 HydrophobicContact CG1-CZ 4.49Å; Y234-F240 WeakPolarHBondContact O-CB 3.44Å; Y234-F240 WeakPolarHBondContact O-CD2 3.4Å; H237-F240 HydrophobicContact CB-CB 4.48Å; H237-F240 WeakPolarHBondContact O-CB 3.36Å; H237-F240 PolarHBondContact O-N 2.81Å; F240-K242 HydrophobicContact CD1-CG 3.95Å; F240-K242 HydrophobicContact CE1-CG 4.25Å; F240-K242 PolarHBondContact O-N 3.08Å; F240-P252 HydrophobicContact CE1-CB 3.63Å; F240-P252 HydrophobicContact CE1-CG 3.79Å; F240-P252 HydrophobicContact CZ-CB 3.93Å; F240-P252 HydrophobicContact CZ-CG 4.24Å; F240-F254 HydrophobicContact CZ-CZ 4.48Å
241	F	98.8	Very high	96.2	Very high	10 Å²	10	61.8 Å²	61.8	4%	0.044	33%	0.327	C	S	.	.			trans	-74.5	126.3	-174.3	-176.2	-109.3	0	0	0	111	H93 V172 K207 V208 A209 A239 L253 F385	H93-F241 AromaticContact CE1-CE1 3.76Å; H93-F241 AromaticContact CE1-CZ 3.85Å; H93-F241 AromaticContact NE2-CZ 3.64Å; V172-F241 HydrophobicContact CB-CD2 4.48Å; V172-F241 HydrophobicContact CG1-CB 4.19Å; V172-F241 HydrophobicContact CG1-CD1 4.28Å; V172-F241 HydrophobicContact CG1-CD2 3.97Å; V172-F241 HydrophobicContact CG1-CE2 4.42Å; V172-F241 HydrophobicContact CG1-CG 3.88Å; V172-F241 HydrophobicContact CG2-CD2 3.63Å; V172-F241 HydrophobicContact CG2-CE2 3.47Å; V172-F241 VanDerWaalsContact CG2-CE2 3.47Å; V172-F241 HydrophobicContact CG2-CG 4.37Å; V172-F241 HydrophobicContact CG2-CZ 4.1Å; K207-F241 HydrophobicContact CB-CB 3.85Å; K207-F241 HydrophobicContact CB-CD2 3.6Å; K207-F241 HydrophobicContact CB-CG 4.17Å; K207-F241 HydrophobicContact CG-CD2 4.01Å; V208-F241 VanDerWaalsContact O-CB 3.3Å; V208-F241 WeakPolarHBondContact O-CB 3.39Å; V208-F241 PolarHBondContact O-N 3.05Å; A209-F241 HydrophobicContact CB-CB 4.07Å; A209-F241 HydrophobicContact CB-CD1 4.08Å; A209-F241 HydrophobicContact CB-CG 4.39Å; A239-F241 PolarHBondContact O-N 3.03Å; F241-L253 HydrophobicContact CD1-CB 3.92Å; F241-L253 HydrophobicContact CE1-CB 3.92Å; F241-L253 HydrophobicContact CE1-CD1 4.21Å; F241-F385 HydrophobicContact CZ-CE1 4.32Å
242	K	98.6	Very high	96.2	Very high	82 Å²	82	61.1 Å²	61.1	36%	0.357	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	139.1	169.3	-58	179.5	-174.4	173.5	0	108.6	G235 F240 L250 L251	G235-K242 WeakPolarHBondContact O-CE 3.15Å; G235-K242 PolarHBondContact O-NZ 2.91Å; F240-K242 HydrophobicContact CD1-CG 3.95Å; F240-K242 HydrophobicContact CE1-CG 4.25Å; F240-K242 PolarHBondContact O-N 3.08Å; K242-L250 HydrophobicContact CB-CD1 3.63Å; K242-L250 HydrophobicContact CB-CD2 4.4Å; K242-L250 HydrophobicContact CB-CG 3.74Å; K242-L250 HydrophobicContact CD-CD2 4.36Å; K242-L250 HydrophobicContact CD-CG 4.24Å; K242-L251 CarbonylContact C-O 3.6Å; K242-L251 WeakPolarHBondContact CA-O 3.49Å
243	Y	97.8	Very high	96.2	Very high	32 Å²	32	57 Å²	57	13%	0.125	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	138.6	176.6	-179.8	-117.6	0	0	0	110.6	Y91 L250 L251 I287 I340 F385	Y91-Y243 AromaticContact CE1-CE2 3.93Å; Y91-Y243 HydrophobicContact CE1-CE2 3.93Å; Y243-L250 WeakPolarHBondContact O-CA 3.32Å; Y243-L251 PolarHBondContact N-O 3.08Å; Y243-L251 PolarHBondContact O-N 3.17Å; Y243-I287 HydrophobicContact CD1-CD1 3.67Å; Y243-I287 HydrophobicContact CG-CD1 4.29Å; Y243-I340 HydrophobicContact CE1-CD1 4.43Å; Y243-F385 HydrophobicContact CD1-CE2 4.39Å; Y243-F385 HydrophobicContact CD1-CZ 4.01Å; Y243-F385 HydrophobicContact CD2-CE1 4.23Å; Y243-F385 AromaticContact CD2-CZ 3.57Å; Y243-F385 HydrophobicContact CD2-CZ 3.57Å; Y243-F385 HydrophobicContact CE1-CE2 4.11Å; Y243-F385 AromaticContact CE1-CZ 3.95Å; Y243-F385 HydrophobicContact CE1-CZ 3.95Å; Y243-F385 HydrophobicContact CE2-CE1 4.29Å; Y243-F385 HydrophobicContact CE2-CE2 4.37Å; Y243-F385 AromaticContact CE2-CZ 3.53Å; Y243-F385 HydrophobicContact CE2-CZ 3.53Å; Y243-F385 AromaticContact CG-CZ 3.81Å; Y243-F385 HydrophobicContact CG-CZ 3.81Å; Y243-F385 AromaticContact CZ-CZ 3.7Å
244	R	96	Very high	96.2	Very high	148 Å²	148	52.4 Å²	52.4	56%	0.558	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.5	113	174.4	-172.1	176.1	-60.9	-78.6	1.9	108.5	G248 K249 L250	R244-G248 PolarHBondContact NH1-O 3.06Å; R244-K249 CarbonylContact C-O 3.56Å; R244-K249 WeakPolarHBondContact CA-O 3.49Å; R244-L250 HydrophobicContact CB-CD1 4.33Å
245	T	90.9	Very high	96.3	Very high	32 Å²	32	52.1 Å²	52.1	20%	0.196	28%	0.281	C	S	.	.			trans	-67.4	165.7	176.4	67.9	0	0	0	0	111.2	A247 G248 K249 L251 I287	T245-A247 PolarHBondContact O-N 3.25Å; T245-A247 PolarHBondContact OG1-N 2.95Å; T245-G248 WeakPolarHBondContact O-CA 3.45Å; T245-G248 PolarHBondContact O-N 3.21Å; T245-K249 PolarHBondContact N-O 3.05Å; T245-K249 PolarHBondContact OG1-N 3.14Å; T245-K249 PolarHBondContact OG1-O 3.22Å; T245-L251 HydrophobicContact CG2-CD1 4.03Å; T245-I287 HydrophobicContact CG2-CD1 3.81Å; T245-I287 HydrophobicContact CG2-CG1 4.24Å
246	N	83.2	Confident	96.3	Very high	164 Å²	164	52 Å²	52	88%	0.877	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-27	174.8	-65.1	-17.3	0	0	0	112.4	G248	N246-G248 PolarHBondContact O-N 3.37Å
247	A	86.8	Confident	96.3	Very high	92 Å²	92	46 Å²	46	76%	0.76	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.8	0.5	172.9	0	0	0	0	0	113.8	T245 K249	T245-A247 PolarHBondContact O-N 3.25Å; T245-A247 PolarHBondContact OG1-N 2.95Å; A247-K249 VanDerWaalsContact C-N 3.34Å; A247-K249 PolarHBondContact O-N 3.46Å
248	G	91.9	Very high	96.3	Very high	35 Å²	35	45.2 Å²	45.2	36%	0.361	24%	0.243	S	C	.	.	S	Bend	trans	85.2	-5.5	176.9	0	0	0	0	0	115.5	R244 T245 N246	R244-G248 PolarHBondContact NH1-O 3.06Å; T245-G248 WeakPolarHBondContact O-CA 3.45Å; T245-G248 PolarHBondContact O-N 3.21Å; N246-G248 PolarHBondContact O-N 3.37Å
249	K	94.6	Very high	96.3	Very high	94 Å²	94	42.4 Å²	42.4	41%	0.409	22%	0.224	S	C	.	.			trans	-68.9	133	175.7	-69.4	-175.8	172	-176	0	110	R244 T245 A247 L251 D281 D285	R244-K249 CarbonylContact C-O 3.56Å; R244-K249 WeakPolarHBondContact CA-O 3.49Å; T245-K249 PolarHBondContact N-O 3.05Å; T245-K249 PolarHBondContact OG1-N 3.14Å; T245-K249 PolarHBondContact OG1-O 3.22Å; A247-K249 VanDerWaalsContact C-N 3.34Å; A247-K249 PolarHBondContact O-N 3.46Å; K249-L251 HydrophobicContact CB-CD1 4.25Å; K249-L251 HydrophobicContact CB-CD2 4.38Å; K249-L251 HydrophobicContact CB-CG 4.04Å; K249-D281 IonicContact NZ-OD1 2.75Å; K249-D281 PolarHBondContact NZ-OD1 2.82Å; K249-D285 IonicContact NZ-OD2 2.54Å
250	L	97.4	Very high	96.2	Very high	89 Å²	89	46.4 Å²	46.4	47%	0.466	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	107.9	174.8	-178.6	66.5	0	0	0	108.8	K242 Y243 R244	K242-L250 HydrophobicContact CB-CD1 3.63Å; K242-L250 HydrophobicContact CB-CD2 4.4Å; K242-L250 HydrophobicContact CB-CG 3.74Å; K242-L250 HydrophobicContact CD-CD2 4.36Å; K242-L250 HydrophobicContact CD-CG 4.24Å; Y243-L250 WeakPolarHBondContact O-CA 3.32Å; R244-L250 HydrophobicContact CB-CD1 4.33Å
251	L	98.4	Very high	96.2	Very high	23 Å²	23	51.3 Å²	51.3	12%	0.12	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	146.2	-169.4	-63.7	178.9	0	0	0	112	K242 Y243 T245 K249 D285 I287	K242-L251 CarbonylContact C-O 3.6Å; K242-L251 WeakPolarHBondContact CA-O 3.49Å; Y243-L251 PolarHBondContact N-O 3.08Å; Y243-L251 PolarHBondContact O-N 3.17Å; T245-L251 HydrophobicContact CG2-CD1 4.03Å; K249-L251 HydrophobicContact CB-CD1 4.25Å; K249-L251 HydrophobicContact CB-CD2 4.38Å; K249-L251 HydrophobicContact CB-CG 4.04Å; L251-D285 HydrophobicContact CD2-CB 4.31Å; L251-I287 HydrophobicContact CB-CD1 4.25Å; L251-I287 HydrophobicContact CB-CG1 3.98Å; L251-I287 HydrophobicContact CD1-CG1 4.22Å
252	P	98.7	Very high	96.1	Very high	11 Å²	11	51.2 Å²	51.2	7%	0.071	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.7	154.7	164.3	-23.6	34.3	0	0	0	112.1	I231 F240 F254 D285 A286 I287	I231-P252 HydrophobicContact CD1-CG 3.94Å; I231-P252 HydrophobicContact CG1-CG 4.12Å; F240-P252 HydrophobicContact CE1-CB 3.63Å; F240-P252 HydrophobicContact CE1-CG 3.79Å; F240-P252 HydrophobicContact CZ-CB 3.93Å; F240-P252 HydrophobicContact CZ-CG 4.24Å; P252-F254 HydrophobicContact CB-CD2 4.35Å; P252-F254 HydrophobicContact CB-CE2 3.64Å; P252-F254 HydrophobicContact CB-CZ 4.19Å; P252-D285 WeakPolarHBondContact CD-O 3.31Å; P252-A286 HydrophobicContact CB-CB 3.96Å; P252-A286 HydrophobicContact CG-CB 4.33Å; P252-I287 PolarHBondContact O-N 2.99Å
253	L	98.8	Very high	96	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.01	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	128.2	171.8	-174	154.2	0	0	0	110.7	F241 Y255 I287 I289	F241-L253 HydrophobicContact CD1-CB 3.92Å; F241-L253 HydrophobicContact CE1-CB 3.92Å; F241-L253 HydrophobicContact CE1-CD1 4.21Å; L253-Y255 HydrophobicContact CD2-CD2 3.75Å; L253-Y255 HydrophobicContact CD2-CE2 3.39Å; L253-Y255 HydrophobicContact CD2-CG 4.49Å; L253-I287 CarbonylContact C-O 2.87Å; L253-I287 WeakPolarHBondContact CA-O 3.3Å; L253-I287 HydrophobicContact CB-CB 4.26Å; L253-I287 HydrophobicContact CD1-CB 4.45Å; L253-I287 HydrophobicContact CD1-CG2 3.98Å; L253-I287 HydrophobicContact CG-CB 4.19Å; L253-I287 HydrophobicContact CG-CG2 4.06Å; L253-I289 HydrophobicContact CD1-CD1 4.41Å; L253-I289 HydrophobicContact CD1-CG1 4.19Å; L253-I289 HydrophobicContact CD2-CG1 3.95Å; L253-I289 HydrophobicContact CG-CG1 4.04Å
254	F	98.9	Very high	95.9	Very high	1 Å²	1	51 Å²	51	0%	0.004	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	126.9	178.9	-64	-82.7	0	0	0	110.7	F210 I212 V227 I230 I231 F240 P252 A286 I287 F288 I289	F210-F254 HydrophobicContact CB-CD1 3.71Å; F210-F254 HydrophobicContact CB-CE1 3.9Å; F210-F254 HydrophobicContact CD2-CE1 4.33Å; F210-F254 HydrophobicContact CG-CE1 4.25Å; F210-F254 WeakPolarHBondContact O-CA 3.29Å; I212-F254 HydrophobicContact CD1-CB 4.16Å; I212-F254 HydrophobicContact CD1-CD1 3.75Å; I212-F254 HydrophobicContact CD1-CG 4.2Å; I212-F254 HydrophobicContact CG1-CD1 4.2Å; V227-F254 HydrophobicContact CG1-CE2 3.79Å; V227-F254 HydrophobicContact CG1-CZ 4Å; I230-F254 HydrophobicContact CB-CE1 4.26Å; I230-F254 HydrophobicContact CB-CZ 4.43Å; I230-F254 HydrophobicContact CD1-CE1 3.85Å; I230-F254 HydrophobicContact CG2-CE1 3.76Å; I230-F254 HydrophobicContact CG2-CZ 3.97Å; I231-F254 HydrophobicContact CD1-CE2 4.39Å; I231-F254 HydrophobicContact CD1-CZ 4.49Å; I231-F254 HydrophobicContact CG1-CZ 4.22Å; F240-F254 HydrophobicContact CZ-CZ 4.48Å; P252-F254 HydrophobicContact CB-CD2 4.35Å; P252-F254 HydrophobicContact CB-CE2 3.64Å; P252-F254 HydrophobicContact CB-CZ 4.19Å; F254-A286 HydrophobicContact CD2-CB 3.61Å; F254-A286 HydrophobicContact CE2-CB 3.56Å; F254-I287 PolarHBondContact N-O 3.19Å; F254-F288 HydrophobicContact CB-CD1 4.16Å; F254-F288 HydrophobicContact CB-CE1 4.35Å; F254-F288 HydrophobicContact CD2-CE1 4.21Å; F254-F288 HydrophobicContact CD2-CZ 4.39Å; F254-F288 HydrophobicContact CG-CE1 4.49Å; F254-I289 PolarHBondContact O-N 2.9Å
255	Y	98.9	Very high	95.9	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	137.7	163.8	-66.5	-90.8	0	0	0	108.9	H93 F95 A174 F210 H211 I212 L253 I289 Y310 I342	H93-Y255 AromaticContact ND1-CE2 3.76Å; H93-Y255 AromaticContact ND1-CZ 3.68Å; H93-Y255 PolarHBondContact ND1-OH 3.43Å; F95-Y255 HydrophobicContact CE1-CD1 4.26Å; F95-Y255 HydrophobicContact CE1-CD2 4.46Å; F95-Y255 HydrophobicContact CE1-CG 4.17Å; F95-Y255 HydrophobicContact CZ-CD1 4.29Å; F95-Y255 HydrophobicContact CZ-CE1 4.41Å; A174-Y255 HydrophobicContact CB-CD2 3.85Å; A174-Y255 HydrophobicContact CB-CE2 3.9Å; F210-Y255 PolarHBondContact O-N 3.37Å; H211-Y255 CarbonylContact C-O 3.02Å; I212-Y255 PolarHBondContact N-O 3.18Å; L253-Y255 HydrophobicContact CD2-CD2 3.75Å; L253-Y255 HydrophobicContact CD2-CE2 3.39Å; L253-Y255 HydrophobicContact CD2-CG 4.49Å; Y255-I289 HydrophobicContact CD1-CB 3.97Å; Y255-I289 HydrophobicContact CD1-CG2 3.97Å; Y255-I289 HydrophobicContact CE1-CB 4.25Å; Y255-I289 HydrophobicContact CE1-CG1 4.5Å; Y255-I289 HydrophobicContact CE1-CG2 4Å; Y255-Y310 AromaticContact CD1-CD1 3.91Å; Y255-Y310 HydrophobicContact CD1-CD1 3.91Å; Y255-Y310 AromaticContact CD1-CD2 3.92Å; Y255-Y310 HydrophobicContact CD1-CD2 3.92Å; Y255-Y310 HydrophobicContact CD1-CE1 4.2Å; Y255-Y310 HydrophobicContact CD1-CE2 4.17Å; Y255-Y310 AromaticContact CD1-CG 3.77Å; Y255-Y310 HydrophobicContact CD1-CG 3.77Å; Y255-Y310 HydrophobicContact CE1-CD2 4.33Å; Y255-Y310 HydrophobicContact CE1-CG 4.12Å; Y255-I342 HydrophobicContact CE1-CD1 3.87Å; Y255-I342 HydrophobicContact CE1-CG2 4.31Å; Y255-I342 VanDerWaalsContact OH-CD1 3.29Å; Y255-I342 WeakPolarHBondContact OH-CD1 3.34Å
256	V	98.9	Very high	96.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	105.4	177.3	-173.5	0	0	0	0	108.9	M223 W267 F288 I289 F306 Y310	M223-V256 HydrophobicContact CE-CG2 4.43Å; V256-W267 HydrophobicContact CG1-CH2 3.76Å; V256-W267 HydrophobicContact CG1-CZ2 3.83Å; V256-W267 HydrophobicContact CG2-CH2 4.49Å; V256-F288 HydrophobicContact CG2-CD1 4.29Å; V256-I289 PolarHBondContact N-O 2.9Å; V256-F306 HydrophobicContact CB-CE1 4.4Å; V256-F306 HydrophobicContact CG2-CE1 4.15Å; V256-Y310 PolarHBondContact O-OH 2.82Å
257	Y	98.8	Very high	96.9	Very high	33 Å²	33	44.6 Å²	44.6	13%	0.129	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	140.1	176.8	-162.4	-122.6	0	0	0	110.9	H211 I212 E213 P214 R218 S259 L291 Y310 Y312 F313	H211-Y257 WeakPolarHBondContact NE2-CB 3.35Å; H211-Y257 AromaticContact NE2-CD2 3.69Å; H211-Y257 AromaticContact NE2-CG 3.79Å; I212-Y257 PolarHBondContact O-N 2.74Å; E213-Y257 WeakPolarHBondContact OE2-CD1 3.49Å; P214-Y257 HydrophobicContact CG-CD1 4.19Å; R218-Y257 VanDerWaalsContact CZ-O 3.29Å; R218-Y257 PolarHBondContact NH1-O 3.37Å; R218-Y257 PolarHBondContact NH2-O 3.39Å; Y257-S259 PolarHBondContact O-N 3.16Å; Y257-S259 VanDerWaalsContact O-N 3.15Å; Y257-L291 HydrophobicContact CD2-CD2 3.7Å; Y257-L291 HydrophobicContact CE2-CD2 3.6Å; Y257-Y310 WeakPolarHBondContact CA-OH 3.3Å; Y257-Y310 WeakPolarHBondContact CD2-OH 3.44Å; Y257-Y310 PolarHBondContact N-OH 2.91Å; Y257-Y312 HydrophobicContact CD2-CD1 4.33Å; Y257-Y312 HydrophobicContact CD2-CD2 4.28Å; Y257-Y312 HydrophobicContact CD2-CE2 4.47Å; Y257-Y312 HydrophobicContact CD2-CG 4.18Å; Y257-Y312 AromaticContact CE2-CD1 3.37Å; Y257-Y312 HydrophobicContact CE2-CD1 3.37Å; Y257-Y312 HydrophobicContact CE2-CD2 4.08Å; Y257-Y312 AromaticContact CE2-CE1 3.54Å; Y257-Y312 HydrophobicContact CE2-CE1 3.54Å; Y257-Y312 HydrophobicContact CE2-CE2 4.23Å; Y257-Y312 AromaticContact CE2-CG 3.63Å; Y257-Y312 HydrophobicContact CE2-CG 3.63Å; Y257-Y312 AromaticContact CE2-CZ 3.95Å; Y257-Y312 AromaticContact CZ-CD1 3.96Å; Y257-Y312 AromaticContact CZ-CE1 3.75Å; Y257-Y312 WeakPolarHBondContact OH-CE1 3.46Å; Y257-F313 WeakPolarHBondContact OH-CE1 3.39Å
258	D	98.4	Very high	97.4	Very high	25 Å²	25	40.8 Å²	40.8	13%	0.134	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.4	41.8	-176.2	-72.6	-18.4	0	0	0	113.9	R218 Y260 L261 L291	R218-D258 PolarHBondContact NH2-O 2.89Å; D258-Y260 HydrophobicContact CB-CE1 4Å; D258-Y260 PolarHBondContact O-N 3.25Å; D258-Y260 VanDerWaalsContact O-N 3.07Å; D258-Y260 WeakPolarHBondContact OD1-CE1 3.12Å; D258-Y260 PolarHBondContact OD1-OH 2.9Å; D258-L261 HydrophobicContact CB-CD1 3.72Å; D258-L261 HydrophobicContact CB-CG 3.99Å; D258-L261 WeakPolarHBondContact O-CB 3.46Å; D258-L261 WeakPolarHBondContact O-CG 3.48Å; D258-L261 PolarHBondContact O-N 2.86Å; D258-L291 WeakPolarHBondContact OD1-CD2 3.21Å
259	S	98.5	Very high	97.7	Very high	4 Å²	4	42.8 Å²	42.8	3%	0.028	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-56.2	-26.3	-179	55.7	0	0	0	0	113.3	Y257 L261 M262 W267 L291	Y257-S259 PolarHBondContact O-N 3.16Å; Y257-S259 VanDerWaalsContact O-N 3.15Å; S259-L261 PolarHBondContact O-N 3.14Å; S259-M262 PolarHBondContact O-N 3.34Å; S259-W267 PolarHBondContact O-NE1 3.43Å; S259-L291 PolarHBondContact OG-N 2.74Å
260	Y	97.9	Very high	97.9	Very high	84 Å²	84	38.4 Å²	38.4	33%	0.329	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-68.6	-9.8	177.5	60.3	-92.4	0	0	0	114.1	D258 M262 L291 V293 H297	D258-Y260 HydrophobicContact CB-CE1 4Å; D258-Y260 PolarHBondContact O-N 3.25Å; D258-Y260 VanDerWaalsContact O-N 3.07Å; D258-Y260 WeakPolarHBondContact OD1-CE1 3.12Å; D258-Y260 PolarHBondContact OD1-OH 2.9Å; Y260-M262 VanDerWaalsContact C-N 3.27Å; Y260-L291 HydrophobicContact CE1-CD2 4.1Å; Y260-V293 HydrophobicContact CD1-CG2 3.8Å; Y260-V293 HydrophobicContact CE1-CB 4.32Å; Y260-V293 HydrophobicContact CE1-CG2 3.32Å; Y260-H297 AromaticContact CG-CE1 3.78Å
261	L	97.6	Very high	97.9	Very high	116 Å²	116	34.4 Å²	34.4	61%	0.607	17%	0.169	S	C	*	.	G	3₁₀ helix	trans	-70.7	-23.7	173.3	-66.1	177.9	0	0	0	112.9	P214 D258 S259	P214-L261 HydrophobicContact CB-CD1 4.21Å; D258-L261 HydrophobicContact CB-CD1 3.72Å; D258-L261 HydrophobicContact CB-CG 3.99Å; D258-L261 WeakPolarHBondContact O-CB 3.46Å; D258-L261 WeakPolarHBondContact O-CG 3.48Å; D258-L261 PolarHBondContact O-N 2.86Å; S259-L261 PolarHBondContact O-N 3.14Å
262	M	97.1	Very high	97.9	Very high	9 Å²	9	36.6 Å²	36.6	4%	0.044	18%	0.178	C	C	.	.	S	Bend	trans	-103.2	134.1	169.6	-179.7	163.7	84.8	0	0	109.2	D219 E220 S259 Y260 Q266 W267	D219-M262 VanDerWaalsContact C-SD 3.59Å; D219-M262 VanDerWaalsContact CA-SD 3.55Å; E220-M262 HydrophobicContact CB-CE 4.26Å; E220-M262 HydrophobicContact CB-SD 4.49Å; E220-M262 PolarHBondContact N-SD 3.27Å; E220-M262 VanDerWaalsContact N-SD 3.44Å; S259-M262 PolarHBondContact O-N 3.34Å; Y260-M262 VanDerWaalsContact C-N 3.27Å; M262-Q266 HydrophobicContact CE-CB 4.28Å; M262-Q266 HydrophobicContact CG-CB 3.59Å; M262-Q266 HydrophobicContact CG-CG 4.38Å; M262-Q266 HydrophobicContact SD-CB 3.71Å; M262-W267 HydrophobicContact CB-CZ2 4.29Å; M262-W267 HydrophobicContact CE-CB 4.35Å; M262-W267 HydrophobicContact CE-CD2 3.09Å; M262-W267 HydrophobicContact CE-CE3 3.26Å; M262-W267 HydrophobicContact CE-CG 3.62Å; M262-W267 HydrophobicContact CE-CH2 3.7Å; M262-W267 HydrophobicContact CE-CZ2 3.59Å; M262-W267 HydrophobicContact CE-CZ3 3.55Å; M262-W267 VanDerWaalsContact O-CD1 3.31Å; M262-W267 PolarHBondContact O-NE1 3.01Å
263	N	95.9	Very high	97.7	Very high	80 Å²	80	42.3 Å²	42.3	43%	0.428	20%	0.204	S	C	.	.			trans	-70.7	162.4	-175.5	71.4	53.8	0	0	0	112.2	E265 Q266 W267	N263-E265 VanDerWaalsContact C-N 3.32Å; N263-E265 PolarHBondContact O-N 2.84Å; N263-E265 PolarHBondContact OD1-N 3.05Å; N263-E265 VanDerWaalsContact OD1-N 3.12Å; N263-Q266 PolarHBondContact ND2-OE1 2.9Å; N263-Q266 PolarHBondContact O-N 3.36Å; N263-Q266 WeakPolarHBondContact OD1-CG 3.48Å; N263-Q266 PolarHBondContact OD1-N 3.48Å; N263-W267 VanDerWaalsContact O-CD1 3.31Å; N263-W267 PolarHBondContact O-N 3.26Å; N263-W267 VanDerWaalsContact O-N 3.17Å
264	S	96.8	Very high	97.1	Very high	29 Å²	29	47 Å²	47	20%	0.203	23%	0.232	C	C	.	.	H	α-helix	trans	-67.4	-28.1	-174.8	54.9	0	0	0	0	114.1	A268 E300 A304	S264-A268 VanDerWaalsContact O-CB 3.32Å; S264-A268 WeakPolarHBondContact O-CB 3.27Å; S264-A268 PolarHBondContact O-N 2.58Å; S264-E300 WeakPolarHBondContact CB-O 3.14Å; S264-A304 WeakPolarHBondContact O-CA 3.36Å
265	E	95.9	Very high	96.7	Very high	149 Å²	149	50 Å²	50	70%	0.696	25%	0.249	S	C	*	.	H	α-helix	trans	-69.4	-41	176.9	-64.5	179.9	-179.6	0	0	111.4	N263 A268 K269	N263-E265 VanDerWaalsContact C-N 3.32Å; N263-E265 PolarHBondContact O-N 2.84Å; N263-E265 PolarHBondContact OD1-N 3.05Å; N263-E265 VanDerWaalsContact OD1-N 3.12Å; E265-A268 PolarHBondContact O-N 2.9Å; E265-K269 PolarHBondContact O-N 3.19Å
266	Q	96.3	Very high	96.2	Very high	56 Å²	56	56.2 Å²	56.2	26%	0.262	29%	0.292	S	S	.	.	H	α-helix	trans	-64.2	-45.5	174	-72.2	-177.2	-85.9	0	0	111.4	E220 M262 N263 A268 K269	E220-Q266 WeakPolarHBondContact CB-O 3.32Å; E220-Q266 PolarHBondContact OE2-NE2 2.91Å; M262-Q266 HydrophobicContact CE-CB 4.28Å; M262-Q266 HydrophobicContact CG-CB 3.59Å; M262-Q266 HydrophobicContact CG-CG 4.38Å; M262-Q266 HydrophobicContact SD-CB 3.71Å; N263-Q266 PolarHBondContact ND2-OE1 2.9Å; N263-Q266 PolarHBondContact O-N 3.36Å; N263-Q266 WeakPolarHBondContact OD1-CG 3.48Å; N263-Q266 PolarHBondContact OD1-N 3.48Å; Q266-A268 VanDerWaalsContact C-N 3.29Å; Q266-A268 PolarHBondContact O-N 2.78Å; Q266-K269 WeakPolarHBondContact O-CB 3.34Å; Q266-K269 PolarHBondContact O-N 2.81Å
267	W	98.3	Very high	95.7	Very high	4 Å²	4	58.9 Å²	58.9	2%	0.015	31%	0.31	C	S	.	.	H	α-helix	trans	-59.3	-40.8	173.5	-78.7	117.3	0	0	0	112.4	M223 V256 S259 M262 N263 K269 L270 L271 A304 F306	M223-W267 HydrophobicContact CE-CH2 3.83Å; M223-W267 HydrophobicContact CE-CZ3 4.05Å; M223-W267 HydrophobicContact CG-CH2 4.01Å; M223-W267 HydrophobicContact CG-CZ3 4.21Å; M223-W267 HydrophobicContact SD-CH2 4.25Å; V256-W267 HydrophobicContact CG1-CH2 3.76Å; V256-W267 HydrophobicContact CG1-CZ2 3.83Å; V256-W267 HydrophobicContact CG2-CH2 4.49Å; S259-W267 PolarHBondContact O-NE1 3.43Å; M262-W267 HydrophobicContact CB-CZ2 4.29Å; M262-W267 HydrophobicContact CE-CB 4.35Å; M262-W267 HydrophobicContact CE-CD2 3.09Å; M262-W267 HydrophobicContact CE-CE3 3.26Å; M262-W267 HydrophobicContact CE-CG 3.62Å; M262-W267 HydrophobicContact CE-CH2 3.7Å; M262-W267 HydrophobicContact CE-CZ2 3.59Å; M262-W267 HydrophobicContact CE-CZ3 3.55Å; M262-W267 VanDerWaalsContact O-CD1 3.31Å; M262-W267 PolarHBondContact O-NE1 3.01Å; N263-W267 VanDerWaalsContact O-CD1 3.31Å; N263-W267 PolarHBondContact O-N 3.26Å; N263-W267 VanDerWaalsContact O-N 3.17Å; W267-K269 VanDerWaalsContact C-N 3.29Å; W267-K269 PolarHBondContact O-N 3.02Å; W267-L270 HydrophobicContact CE3-CD2 4.32Å; W267-L270 HydrophobicContact CZ3-CD2 4.06Å; W267-L270 PolarHBondContact O-N 3.15Å; W267-L271 HydrophobicContact CB-CD1 4.46Å; W267-L271 HydrophobicContact CD2-CD1 4.45Å; W267-L271 HydrophobicContact CE3-CD1 3.83Å; W267-L271 HydrophobicContact CE3-CG 4.25Å; W267-L271 WeakPolarHBondContact O-CB 3.27Å; W267-L271 PolarHBondContact O-N 3.04Å; W267-A304 CarbonylContact C-O 3.39Å; W267-A304 HydrophobicContact CB-CB 3.46Å; W267-A304 VanDerWaalsContact CB-CB 3.46Å; W267-A304 HydrophobicContact CG-CB 4.06Å; W267-F306 HydrophobicContact CB-CE2 4.31Å; W267-F306 AromaticContact CD1-CE2 3.81Å; W267-F306 HydrophobicContact CD2-CE1 4.43Å; W267-F306 AromaticContact CD2-CE2 3.82Å; W267-F306 HydrophobicContact CD2-CE2 3.82Å; W267-F306 AromaticContact CD2-CZ 3.47Å; W267-F306 HydrophobicContact CD2-CZ 3.47Å; W267-F306 VanDerWaalsContact CD2-CZ 3.47Å; W267-F306 AromaticContact CE2-CZ 3.48Å; W267-F306 VanDerWaalsContact CE2-CZ 3.48Å; W267-F306 HydrophobicContact CE3-CE1 4.41Å; W267-F306 HydrophobicContact CE3-CE2 4.48Å; W267-F306 AromaticContact CE3-CZ 3.86Å; W267-F306 HydrophobicContact CE3-CZ 3.86Å; W267-F306 AromaticContact CG-CE2 3.72Å; W267-F306 HydrophobicContact CG-CE2 3.72Å; W267-F306 AromaticContact CG-CZ 3.91Å; W267-F306 HydrophobicContact CG-CZ 3.91Å; W267-F306 HydrophobicContact CH2-CZ 4.29Å; W267-F306 AromaticContact CZ2-CZ 3.91Å; W267-F306 HydrophobicContact CZ2-CZ 3.91Å; W267-F306 HydrophobicContact CZ3-CZ 4.25Å; W267-F306 AromaticContact NE1-CE2 3.93Å; W267-F306 AromaticContact NE1-CZ 3.82Å
268	A	98.1	Very high	95.6	Very high	13 Å²	13	57.8 Å²	57.8	11%	0.107	31%	0.308	C	S	.	.	H	α-helix	trans	-61.2	-35.5	-179.5	0	0	0	0	0	112.6	S264 E265 Q266 L270 L271 K272 T274 A304	S264-A268 VanDerWaalsContact O-CB 3.32Å; S264-A268 WeakPolarHBondContact O-CB 3.27Å; S264-A268 PolarHBondContact O-N 2.58Å; E265-A268 PolarHBondContact O-N 2.9Å; Q266-A268 VanDerWaalsContact C-N 3.29Å; Q266-A268 PolarHBondContact O-N 2.78Å; A268-L270 PolarHBondContact O-N 3.36Å; A268-L271 PolarHBondContact O-N 3.1Å; A268-K272 HydrophobicContact CB-CD 4.14Å; A268-K272 HydrophobicContact CB-CG 4.45Å; A268-K272 WeakPolarHBondContact O-CA 3.4Å; A268-K272 VanDerWaalsContact O-CB 3.3Å; A268-K272 WeakPolarHBondContact O-CB 3.24Å; A268-K272 PolarHBondContact O-N 2.78Å; A268-T274 PolarHBondContact O-OG1 2.93Å; A268-T274 VanDerWaalsContact O-OG1 3.1Å; A268-A304 WeakPolarHBondContact CA-O 3.14Å; A268-A304 PolarHBondContact N-O 3.38Å
269	K	97.7	Very high	95.6	Very high	77 Å²	77	56.6 Å²	56.6	34%	0.335	30%	0.301	S	S	.	.	H	α-helix	trans	-57	-39.3	173.2	-64.1	174.5	-172.2	175.2	0	112.3	E220 E265 Q266 W267 D275 S278	E220-K269 HydrophobicContact CG-CB 4.42Å; E220-K269 HydrophobicContact CG-CD 4.17Å; E220-K269 WeakPolarHBondContact OE1-CD 3.43Å; E220-K269 IonicContact OE1-NZ 2.83Å; E220-K269 PolarHBondContact OE1-NZ 2.76Å; E265-K269 PolarHBondContact O-N 3.19Å; Q266-K269 WeakPolarHBondContact O-CB 3.34Å; Q266-K269 PolarHBondContact O-N 2.81Å; W267-K269 VanDerWaalsContact C-N 3.29Å; W267-K269 PolarHBondContact O-N 3.02Å; K269-D275 HydrophobicContact CB-CB 4Å; K269-D275 HydrophobicContact CG-CB 4.27Å; K269-S278 WeakPolarHBondContact O-CA 3.22Å; K269-S278 PolarHBondContact O-N 2.7Å
270	L	98	Very high	95.6	Very high	2 Å²	2	57.8 Å²	57.8	1%	0.01	31%	0.305	C	S	.	.	H	α-helix	trans	-81.2	-43.4	179.6	-178.2	61.8	0	0	0	112.6	E220 M223 F224 W267 A268 S278 I279	E220-L270 HydrophobicContact CB-CB 4.21Å; M223-L270 HydrophobicContact CB-CD2 3.74Å; F224-L270 HydrophobicContact CB-CD1 3.75Å; F224-L270 HydrophobicContact CD2-CD1 3.88Å; F224-L270 HydrophobicContact CG-CD1 4.33Å; W267-L270 HydrophobicContact CE3-CD2 4.32Å; W267-L270 HydrophobicContact CZ3-CD2 4.06Å; W267-L270 PolarHBondContact O-N 3.15Å; A268-L270 PolarHBondContact O-N 3.36Å; L270-S278 WeakPolarHBondContact O-CA 3.39Å; L270-S278 PolarHBondContact O-OG 3.12Å; L270-I279 HydrophobicContact CD1-CB 3.98Å; L270-I279 HydrophobicContact CD1-CG2 4.39Å; L270-I279 WeakPolarHBondContact O-CG2 3.34Å; L270-I279 PolarHBondContact O-N 3.25Å
271	L	98.4	Very high	95.4	Very high	4 Å²	4	59 Å²	59	2%	0.021	32%	0.317	C	S	.	.	H	α-helix	trans	-103.9	-3.8	-165	-57	-179.4	0	0	0	114.2	W267 A268 I279 R280 F288 G305 F306	W267-L271 HydrophobicContact CB-CD1 4.46Å; W267-L271 HydrophobicContact CD2-CD1 4.45Å; W267-L271 HydrophobicContact CE3-CD1 3.83Å; W267-L271 HydrophobicContact CE3-CG 4.25Å; W267-L271 WeakPolarHBondContact O-CB 3.27Å; W267-L271 PolarHBondContact O-N 3.04Å; A268-L271 PolarHBondContact O-N 3.1Å; L271-I279 HydrophobicContact CD2-CG2 4.29Å; L271-R280 WeakPolarHBondContact O-CG 3.3Å; L271-R280 PolarHBondContact O-NE 3.16Å; L271-F288 HydrophobicContact CD1-CB 4.29Å; L271-F288 HydrophobicContact CD1-CG 4.48Å; L271-F288 HydrophobicContact CD2-CB 4.29Å; L271-F288 HydrophobicContact CD2-CD1 4.17Å; L271-F288 HydrophobicContact CD2-CD2 3.35Å; L271-F288 HydrophobicContact CD2-CE1 4.34Å; L271-F288 HydrophobicContact CD2-CE2 3.56Å; L271-F288 HydrophobicContact CD2-CG 3.67Å; L271-F288 HydrophobicContact CD2-CZ 4.06Å; L271-G305 WeakPolarHBondContact CB-O 3.34Å; L271-F306 HydrophobicContact CD1-CD1 3.81Å; L271-F306 HydrophobicContact CD1-CD2 4.21Å; L271-F306 HydrophobicContact CD1-CE1 3.91Å; L271-F306 HydrophobicContact CD1-CE2 4.3Å; L271-F306 HydrophobicContact CD1-CG 3.97Å; L271-F306 HydrophobicContact CD1-CZ 4.15Å
272	K	97.3	Very high	95.4	Very high	70 Å²	70	55.7 Å²	55.7	30%	0.304	30%	0.302	S	S	.	.	S	Bend	trans	-124.9	162.3	174	-64	-174.2	163.9	172.6	0	111.1	A268 T274 S278 L302 T303 G305	A268-K272 HydrophobicContact CB-CD 4.14Å; A268-K272 HydrophobicContact CB-CG 4.45Å; A268-K272 WeakPolarHBondContact O-CA 3.4Å; A268-K272 VanDerWaalsContact O-CB 3.3Å; A268-K272 WeakPolarHBondContact O-CB 3.24Å; A268-K272 PolarHBondContact O-N 2.78Å; K272-T274 HydrophobicContact CB-CG2 4.07Å; K272-T274 PolarHBondContact O-N 3.08Å; K272-S278 WeakPolarHBondContact O-CB 3.4Å; K272-S278 PolarHBondContact O-OG 2.8Å; K272-L302 PolarHBondContact NZ-O 2.81Å; K272-L302 VanDerWaalsContact NZ-O 3.11Å; K272-T303 VanDerWaalsContact CE-O 3.3Å; K272-T303 WeakPolarHBondContact CE-O 3.46Å; K272-T303 PolarHBondContact NZ-O 2.99Å; K272-G305 VanDerWaalsContact CE-CA 3.49Å
273	H	94.6	Very high	95.4	Very high	131 Å²	131	60.7 Å²	60.7	61%	0.606	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	29	173.9	-58.1	-79	0	0	0	113.4	R280 D281	H273-R280 WeakPolarHBondContact CE1-CB 3.18Å; H273-D281 IonicContact CE1-OD2 3.41Å; H273-D281 PolarHBondContact CE1-OD2 3.32Å; H273-D281 IonicContact NE2-OD2 3.29Å
274	T	87.8	Confident	95.5	Very high	99 Å²	99	59.1 Å²	59.1	61%	0.607	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-16.3	-179.3	50.1	0	0	0	0	112.8	A268 K272	A268-T274 PolarHBondContact O-OG1 2.93Å; A268-T274 VanDerWaalsContact O-OG1 3.1Å; K272-T274 HydrophobicContact CB-CG2 4.07Å; K272-T274 PolarHBondContact O-N 3.08Å
275	D	89.6	Confident	95.6	Very high	66 Å²	66	58.4 Å²	58.4	35%	0.353	32%	0.318	S	S	.	.	S	Bend	trans	-138.1	150.7	-179.4	-164.3	-70.8	0	0	0	110.4	K269 S277 S278	K269-D275 HydrophobicContact CB-CB 4Å; K269-D275 HydrophobicContact CG-CB 4.27Å; D275-S277 VanDerWaalsContact CG-OG 3.28Å; D275-S277 PolarHBondContact O-N 3.03Å; D275-S277 WeakPolarHBondContact OD1-CB 3.22Å; D275-S277 PolarHBondContact OD1-N 3.23Å; D275-S277 PolarHBondContact OD1-OG 2.89Å; D275-S278 VanDerWaalsContact O-CB 3.31Å; D275-S278 WeakPolarHBondContact O-CB 3.45Å; D275-S278 PolarHBondContact O-N 2.88Å
276	S	88.8	Confident	95.7	Very high	130 Å²	130	51.3 Å²	51.3	91%	0.909	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-19.2	175.4	59.3	0	0	0	0	114.2	S278	S276-S278 PolarHBondContact O-N 2.88Å
277	S	88.6	Confident	95.9	Very high	55 Å²	55	48.8 Å²	48.8	39%	0.385	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	3.1	175.6	57.2	0	0	0	0	113.9	D275	D275-S277 VanDerWaalsContact CG-OG 3.28Å; D275-S277 PolarHBondContact O-N 3.03Å; D275-S277 WeakPolarHBondContact OD1-CB 3.22Å; D275-S277 PolarHBondContact OD1-N 3.23Å; D275-S277 PolarHBondContact OD1-OG 2.89Å
278	S	97.1	Very high	95.9	Very high	11 Å²	11	48.6 Å²	48.6	8%	0.077	27%	0.272	C	S	.	.			trans	-57	141.4	177.5	-168	0	0	0	0	112.3	K269 L270 K272 D275 S276 R280	K269-S278 WeakPolarHBondContact O-CA 3.22Å; K269-S278 PolarHBondContact O-N 2.7Å; L270-S278 WeakPolarHBondContact O-CA 3.39Å; L270-S278 PolarHBondContact O-OG 3.12Å; K272-S278 WeakPolarHBondContact O-CB 3.4Å; K272-S278 PolarHBondContact O-OG 2.8Å; D275-S278 VanDerWaalsContact O-CB 3.31Å; D275-S278 WeakPolarHBondContact O-CB 3.45Å; D275-S278 PolarHBondContact O-N 2.88Å; S276-S278 PolarHBondContact O-N 2.88Å; S278-R280 VanDerWaalsContact C-N 3.34Å; S278-R280 PolarHBondContact OG-N 3.13Å
279	I	97.6	Very high	95.9	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.267	C	S	.	.			trans	-81.8	-17.6	174.6	-154.2	170	0	0	0	112.6	F224 V227 L270 L271 T282 Y284 D285 F288	F224-I279 HydrophobicContact CD2-CB 4.15Å; F224-I279 HydrophobicContact CD2-CD1 4.3Å; F224-I279 HydrophobicContact CD2-CG1 4.05Å; F224-I279 HydrophobicContact CE2-CB 4.29Å; F224-I279 HydrophobicContact CE2-CG1 3.98Å; V227-I279 HydrophobicContact CB-CD1 3.99Å; V227-I279 HydrophobicContact CG1-CD1 3.47Å; V227-I279 VanDerWaalsContact CG1-CD1 3.47Å; L270-I279 HydrophobicContact CD1-CB 3.98Å; L270-I279 HydrophobicContact CD1-CG2 4.39Å; L270-I279 WeakPolarHBondContact O-CG2 3.34Å; L270-I279 PolarHBondContact O-N 3.25Å; L271-I279 HydrophobicContact CD2-CG2 4.29Å; I279-T282 WeakPolarHBondContact O-CB 3.25Å; I279-T282 WeakPolarHBondContact O-CG2 3.5Å; I279-T282 PolarHBondContact O-N 2.87Å; I279-T282 PolarHBondContact O-OG1 3.12Å; I279-Y284 WeakPolarHBondContact CD1-O 3.02Å; I279-Y284 VanDerWaalsContact CG1-O 3.28Å; I279-Y284 WeakPolarHBondContact CG1-O 3.38Å; I279-D285 WeakPolarHBondContact O-CA 3.42Å; I279-F288 HydrophobicContact CD1-CZ 4.07Å; I279-F288 HydrophobicContact CG2-CE2 3.91Å; I279-F288 HydrophobicContact CG2-CZ 4.33Å
280	R	97.6	Very high	96	Very high	28 Å²	28	44.3 Å²	44.3	11%	0.106	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	139.1	-175.7	-59.5	-54.7	-172	-176.8	0.7	111.6	L271 H273 S278 T282 D285 A286 G305 D307	L271-R280 WeakPolarHBondContact O-CG 3.3Å; L271-R280 PolarHBondContact O-NE 3.16Å; H273-R280 WeakPolarHBondContact CE1-CB 3.18Å; S278-R280 VanDerWaalsContact C-N 3.34Å; S278-R280 PolarHBondContact OG-N 3.13Å; R280-T282 PolarHBondContact O-N 3.23Å; R280-D285 VanDerWaalsContact CD-OD1 3.26Å; R280-D285 WeakPolarHBondContact CD-OD1 3.39Å; R280-D285 IonicContact CZ-OD1 3.13Å; R280-D285 IonicContact NH1-OD1 2.67Å; R280-D285 PolarHBondContact NH1-OD1 3.15Å; R280-A286 PolarHBondContact NH1-O 3.43Å; R280-G305 PolarHBondContact NH2-O 3.39Å; R280-D307 IonicContact CZ-OD1 3.89Å; R280-D307 IonicContact CZ-OD2 3.44Å; R280-D307 IonicContact NH1-OD1 3.62Å; R280-D307 PolarHBondContact NH1-OD1 3.32Å; R280-D307 IonicContact NH1-OD2 3.73Å; R280-D307 PolarHBondContact NH1-OD2 2.95Å; R280-D307 IonicContact NH2-OD1 3.28Å; R280-D307 PolarHBondContact NH2-OD1 2.76Å; R280-D307 IonicContact NH2-OD2 2.89Å; R280-D307 PolarHBondContact NH2-OD2 3.21Å
281	D	94.9	Very high	96	Very high	110 Å²	110	44.2 Å²	44.2	59%	0.588	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	24.8	-176.5	-60.2	-44.4	0	0	0	114.6	K249 H273 D285	K249-D281 IonicContact NZ-OD1 2.75Å; K249-D281 PolarHBondContact NZ-OD1 2.82Å; H273-D281 IonicContact CE1-OD2 3.41Å; H273-D281 PolarHBondContact CE1-OD2 3.32Å; H273-D281 IonicContact NE2-OD2 3.29Å; D281-D285 PolarHBondContact N-OD2 2.96Å
282	T	97.1	Very high	96	Very high	47 Å²	47	44 Å²	44	29%	0.288	25%	0.249	S	C	.	.	S	Bend	trans	-105.8	168.7	168.7	78.8	0	0	0	0	110.4	I279 R280 Y284 D285	I279-T282 WeakPolarHBondContact O-CB 3.25Å; I279-T282 WeakPolarHBondContact O-CG2 3.5Å; I279-T282 PolarHBondContact O-N 2.87Å; I279-T282 PolarHBondContact O-OG1 3.12Å; R280-T282 PolarHBondContact O-N 3.23Å; T282-Y284 PolarHBondContact O-N 3.17Å; T282-Y284 PolarHBondContact OG1-N 3.41Å; T282-Y284 VanDerWaalsContact OG1-N 3.14Å; T282-D285 WeakPolarHBondContact O-CB 3.41Å; T282-D285 PolarHBondContact O-N 3.35Å; T282-D285 VanDerWaalsContact O-N 3.08Å
283	P	97.6	Very high	96.1	Very high	113 Å²	113	41.7 Å²	41.7	73%	0.734	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-13.3	170.6	-25.7	36.3	0	0	0	114.7
284	Y	98.4	Very high	96.3	Very high	47 Å²	47	39.8 Å²	39.8	18%	0.184	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	4.8	-179.5	-45.7	-65	0	0	0	113	F224 K228 I231 D232 I279 T282	F224-Y284 HydrophobicContact CE2-CD2 4.49Å; F224-Y284 AromaticContact CZ-CD2 3.94Å; F224-Y284 HydrophobicContact CZ-CD2 3.94Å; F224-Y284 HydrophobicContact CZ-CE2 4.45Å; K228-Y284 HydrophobicContact CB-CD1 4.05Å; K228-Y284 HydrophobicContact CB-CE1 4.24Å; K228-Y284 HydrophobicContact CB-CG 4.21Å; K228-Y284 HydrophobicContact CD-CD2 4.38Å; K228-Y284 HydrophobicContact CD-CE1 4.06Å; K228-Y284 HydrophobicContact CD-CE2 3.82Å; K228-Y284 HydrophobicContact CG-CD1 4.01Å; K228-Y284 HydrophobicContact CG-CE1 3.67Å; K228-Y284 HydrophobicContact CG-CE2 4.25Å; K228-Y284 HydrophobicContact CG-CG 4.44Å; K228-Y284 VanDerWaalsContact NZ-CZ 3.35Å; K228-Y284 PolarHBondContact NZ-OH 2.97Å; I231-Y284 HydrophobicContact CB-CD1 4.31Å; I231-Y284 HydrophobicContact CD1-CD1 4.47Å; I231-Y284 WeakPolarHBondContact CD1-O 3.28Å; I231-Y284 HydrophobicContact CG2-CD1 4.21Å; D232-Y284 WeakPolarHBondContact OD1-CE1 3.35Å; I279-Y284 WeakPolarHBondContact CD1-O 3.02Å; I279-Y284 VanDerWaalsContact CG1-O 3.28Å; I279-Y284 WeakPolarHBondContact CG1-O 3.38Å; T282-Y284 PolarHBondContact O-N 3.17Å; T282-Y284 PolarHBondContact OG1-N 3.41Å; T282-Y284 VanDerWaalsContact OG1-N 3.14Å
285	D	98.3	Very high	96.8	Very high	15 Å²	15	40 Å²	40	8%	0.08	23%	0.226	C	C	.	.			trans	-56.1	141.2	176.9	-165.1	9	0	0	0	110.6	K249 L251 P252 I279 R280 D281 T282	K249-D285 IonicContact NZ-OD2 2.54Å; L251-D285 HydrophobicContact CD2-CB 4.31Å; P252-D285 WeakPolarHBondContact CD-O 3.31Å; I279-D285 WeakPolarHBondContact O-CA 3.42Å; R280-D285 VanDerWaalsContact CD-OD1 3.26Å; R280-D285 WeakPolarHBondContact CD-OD1 3.39Å; R280-D285 IonicContact CZ-OD1 3.13Å; R280-D285 IonicContact NH1-OD1 2.67Å; R280-D285 PolarHBondContact NH1-OD1 3.15Å; D281-D285 PolarHBondContact N-OD2 2.96Å; T282-D285 WeakPolarHBondContact O-CB 3.41Å; T282-D285 PolarHBondContact O-N 3.35Å; T282-D285 VanDerWaalsContact O-N 3.08Å
286	A	98.6	Very high	97.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.233	C	C	.	.			trans	-157.8	165.4	-170.3	0	0	0	0	0	111.7	P252 F254 R280 F288	P252-A286 HydrophobicContact CB-CB 3.96Å; P252-A286 HydrophobicContact CG-CB 4.33Å; F254-A286 HydrophobicContact CD2-CB 3.61Å; F254-A286 HydrophobicContact CE2-CB 3.56Å; R280-A286 PolarHBondContact NH1-O 3.43Å; A286-F288 HydrophobicContact CB-CD2 4.41Å; A286-F288 HydrophobicContact CB-CE2 3.76Å; A286-F288 HydrophobicContact CB-CZ 4.07Å; A286-F288 VanDerWaalsContact O-CD2 3.3Å; A286-F288 WeakPolarHBondContact O-CD2 3.46Å; A286-F288 WeakPolarHBondContact O-CE2 3.36Å
287	I	98.8	Very high	97.7	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.01	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	121	174.6	-59.6	170.7	0	0	0	108.2	Y243 T245 L251 P252 L253 F254 I289 D307 I340	Y243-I287 HydrophobicContact CD1-CD1 3.67Å; Y243-I287 HydrophobicContact CG-CD1 4.29Å; T245-I287 HydrophobicContact CG2-CD1 3.81Å; T245-I287 HydrophobicContact CG2-CG1 4.24Å; L251-I287 HydrophobicContact CB-CD1 4.25Å; L251-I287 HydrophobicContact CB-CG1 3.98Å; L251-I287 HydrophobicContact CD1-CG1 4.22Å; P252-I287 PolarHBondContact O-N 2.99Å; L253-I287 CarbonylContact C-O 2.87Å; L253-I287 WeakPolarHBondContact CA-O 3.3Å; L253-I287 HydrophobicContact CB-CB 4.26Å; L253-I287 HydrophobicContact CD1-CB 4.45Å; L253-I287 HydrophobicContact CD1-CG2 3.98Å; L253-I287 HydrophobicContact CG-CB 4.19Å; L253-I287 HydrophobicContact CG-CG2 4.06Å; F254-I287 PolarHBondContact N-O 3.19Å; I287-I289 HydrophobicContact CG2-CD1 3.69Å; I287-I289 HydrophobicContact CG2-CG1 4.36Å; I287-D307 WeakPolarHBondContact CA-OD2 3.4Å; I287-D307 HydrophobicContact CB-CB 4.49Å; I287-D307 HydrophobicContact CG2-CB 3.73Å; I287-I340 HydrophobicContact CG2-CD1 3.82Å
288	F	98.9	Very high	98.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	123.2	179.2	-65.7	-93.5	0	0	0	110.8	V227 F254 V256 L271 I279 A286 F306 D307 G308	V227-F288 HydrophobicContact CG1-CZ 4.3Å; V227-F288 HydrophobicContact CG2-CE1 3.79Å; V227-F288 HydrophobicContact CG2-CZ 3.95Å; F254-F288 HydrophobicContact CB-CD1 4.16Å; F254-F288 HydrophobicContact CB-CE1 4.35Å; F254-F288 HydrophobicContact CD2-CE1 4.21Å; F254-F288 HydrophobicContact CD2-CZ 4.39Å; F254-F288 HydrophobicContact CG-CE1 4.49Å; V256-F288 HydrophobicContact CG2-CD1 4.29Å; L271-F288 HydrophobicContact CD1-CB 4.29Å; L271-F288 HydrophobicContact CD1-CG 4.48Å; L271-F288 HydrophobicContact CD2-CB 4.29Å; L271-F288 HydrophobicContact CD2-CD1 4.17Å; L271-F288 HydrophobicContact CD2-CD2 3.35Å; L271-F288 HydrophobicContact CD2-CE1 4.34Å; L271-F288 HydrophobicContact CD2-CE2 3.56Å; L271-F288 HydrophobicContact CD2-CG 3.67Å; L271-F288 HydrophobicContact CD2-CZ 4.06Å; I279-F288 HydrophobicContact CD1-CZ 4.07Å; I279-F288 HydrophobicContact CG2-CE2 3.91Å; I279-F288 HydrophobicContact CG2-CZ 4.33Å; A286-F288 HydrophobicContact CB-CD2 4.41Å; A286-F288 HydrophobicContact CB-CE2 3.76Å; A286-F288 HydrophobicContact CB-CZ 4.07Å; A286-F288 VanDerWaalsContact O-CD2 3.3Å; A286-F288 WeakPolarHBondContact O-CD2 3.46Å; A286-F288 WeakPolarHBondContact O-CE2 3.36Å; F288-F306 HydrophobicContact CB-CD1 3.66Å; F288-F306 HydrophobicContact CB-CE1 4.07Å; F288-D307 PolarHBondContact N-OD2 3.04Å; F288-D307 PolarHBondContact O-N 2.64Å; F288-G308 PolarHBondContact O-N 2.78Å
289	I	98.9	Very high	98.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	114.7	-178.3	-49.7	-60.7	0	0	0	109.6	L253 F254 Y255 V256 I287 G308 L309 Y310 I340 I342	L253-I289 HydrophobicContact CD1-CD1 4.41Å; L253-I289 HydrophobicContact CD1-CG1 4.19Å; L253-I289 HydrophobicContact CD2-CG1 3.95Å; L253-I289 HydrophobicContact CG-CG1 4.04Å; F254-I289 PolarHBondContact O-N 2.9Å; Y255-I289 HydrophobicContact CD1-CB 3.97Å; Y255-I289 HydrophobicContact CD1-CG2 3.97Å; Y255-I289 HydrophobicContact CE1-CB 4.25Å; Y255-I289 HydrophobicContact CE1-CG1 4.5Å; Y255-I289 HydrophobicContact CE1-CG2 4Å; V256-I289 PolarHBondContact N-O 2.9Å; I287-I289 HydrophobicContact CG2-CD1 3.69Å; I287-I289 HydrophobicContact CG2-CG1 4.36Å; I289-G308 WeakPolarHBondContact CA-O 3.12Å; I289-L309 VanDerWaalsContact CG2-C 3.44Å; I289-Y310 HydrophobicContact CG2-CD1 3.84Å; I289-Y310 HydrophobicContact CG2-CG 4.24Å; I289-I340 HydrophobicContact CD1-CB 4.19Å; I289-I340 HydrophobicContact CD1-CD1 4.4Å; I289-I340 HydrophobicContact CD1-CG2 4.26Å; I289-I342 HydrophobicContact CD1-CD1 4.18Å; I289-I342 HydrophobicContact CG1-CD1 4.06Å; I289-I342 HydrophobicContact CG2-CD1 4.12Å; I289-I342 HydrophobicContact CG2-CG1 4.42Å
290	A	98.9	Very high	98.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	148.5	-176.8	0	0	0	0	0	113.7	L292 I301 F306 G308 L309 Y310	A290-L292 PolarHBondContact O-N 3.37Å; A290-I301 HydrophobicContact CB-CB 4.45Å; A290-I301 HydrophobicContact CB-CD1 3.81Å; A290-I301 HydrophobicContact CB-CG1 3.68Å; A290-I301 HydrophobicContact CB-CG2 3.98Å; A290-F306 HydrophobicContact CB-CB 4.19Å; A290-F306 HydrophobicContact CB-CD1 3.68Å; A290-F306 HydrophobicContact CB-CD2 3.72Å; A290-F306 HydrophobicContact CB-CE1 3.88Å; A290-F306 HydrophobicContact CB-CE2 3.91Å; A290-F306 HydrophobicContact CB-CG 3.6Å; A290-F306 HydrophobicContact CB-CZ 3.98Å; A290-G308 PolarHBondContact N-O 3.39Å; A290-L309 CarbonylContact O-C 3.59Å; A290-L309 WeakPolarHBondContact O-CA 3.48Å; A290-L309 WeakPolarHBondContact O-CB 2.95Å; A290-Y310 WeakPolarHBondContact O-CD1 3.43Å; A290-Y310 PolarHBondContact O-N 2.99Å
291	L	98.9	Very high	98.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	120.5	174.6	-179.3	60.3	0	0	0	111.2	Y257 D258 S259 Y260 V293 Y310 F313	Y257-L291 HydrophobicContact CD2-CD2 3.7Å; Y257-L291 HydrophobicContact CE2-CD2 3.6Å; D258-L291 WeakPolarHBondContact OD1-CD2 3.21Å; S259-L291 PolarHBondContact OG-N 2.74Å; Y260-L291 HydrophobicContact CE1-CD2 4.1Å; L291-V293 HydrophobicContact CD2-CG2 4.05Å; L291-V293 HydrophobicContact CG-CG2 3.94Å; L291-Y310 VanDerWaalsContact CA-CE1 3.5Å; L291-Y310 HydrophobicContact CB-CD1 4.37Å; L291-Y310 HydrophobicContact CB-CE1 3.65Å; L291-Y310 HydrophobicContact CD1-CD1 4.46Å; L291-Y310 HydrophobicContact CD1-CD2 4.46Å; L291-Y310 HydrophobicContact CD1-CE1 4.13Å; L291-Y310 HydrophobicContact CD1-CE2 4.15Å; L291-Y310 HydrophobicContact CG-CE1 4.48Å; L291-F313 HydrophobicContact CD1-CE2 4.42Å; L291-F313 HydrophobicContact CD2-CE2 4.36Å; L291-F313 HydrophobicContact CD2-CZ 4.3Å
292	L	98.9	Very high	98.4	Very high	0 Å²	0	42 Å²	42	0%	0	20%	0.202	C	C	.	.			trans	-92.2	113.2	173	-175.2	74.3	0	0	0	111	A290 E294 H297 K298 I301 L309 Y310 Y320 G321 I330	A290-L292 PolarHBondContact O-N 3.37Å; L292-E294 WeakPolarHBondContact CD1-O 3.46Å; L292-H297 HydrophobicContact CD1-CB 3.89Å; L292-K298 HydrophobicContact CD1-CB 4.48Å; L292-K298 HydrophobicContact CD1-CG 3.67Å; L292-K298 HydrophobicContact CD2-CG 4.24Å; L292-I301 HydrophobicContact CB-CD1 4.36Å; L292-I301 HydrophobicContact CD1-CD1 3.99Å; L292-L309 HydrophobicContact CB-CB 4.49Å; L292-L309 HydrophobicContact CB-CD1 4.1Å; L292-L309 HydrophobicContact CD2-CD1 4.04Å; L292-L309 HydrophobicContact CD2-CD2 4.39Å; L292-Y310 PolarHBondContact N-O 2.92Å; L292-Y320 HydrophobicContact CD2-CD1 4.22Å; L292-Y320 HydrophobicContact CD2-CE1 4.27Å; L292-G321 WeakPolarHBondContact O-CA 3.31Å; L292-I330 HydrophobicContact CD2-CD1 3.67Å; L292-I330 HydrophobicContact CD2-CG1 3.8Å; L292-I330 HydrophobicContact CD2-CG2 3.94Å
293	V	98.8	Very high	98.4	Very high	22 Å²	22	43.3 Å²	43.3	13%	0.133	21%	0.21	C	C	.	.			trans	-107.1	-59	177.5	179.3	0	0	0	0	111.2	Y260 L291 F313 T319 Y320 G321	Y260-V293 HydrophobicContact CD1-CG2 3.8Å; Y260-V293 HydrophobicContact CE1-CB 4.32Å; Y260-V293 HydrophobicContact CE1-CG2 3.32Å; L291-V293 HydrophobicContact CD2-CG2 4.05Å; L291-V293 HydrophobicContact CG-CG2 3.94Å; V293-F313 HydrophobicContact CG2-CE2 4.16Å; V293-T319 HydrophobicContact CG1-CG2 3.78Å; V293-T319 WeakPolarHBondContact O-CB 3.09Å; V293-Y320 WeakPolarHBondContact O-CA 3.35Å; V293-Y320 VanDerWaalsContact O-CB 3.27Å; V293-Y320 WeakPolarHBondContact O-CB 3.36Å; V293-Y320 PolarHBondContact O-N 3.24Å; V293-G321 PolarHBondContact O-N 3.1Å
294	E	98.7	Very high	98.5	Very high	90 Å²	90	38 Å²	38	42%	0.421	18%	0.176	S	C	.	.	S	Bend	trans	-104.4	157.1	178.7	-64.4	-177.5	-152	0	0	111.1	L292 K296 H297	L292-E294 WeakPolarHBondContact CD1-O 3.46Å; E294-K296 VanDerWaalsContact C-N 3.26Å; E294-K296 HydrophobicContact CB-CG 4.19Å; E294-K296 PolarHBondContact O-N 3.05Å; E294-K296 IonicContact OE1-NZ 3.46Å; E294-K296 PolarHBondContact OE1-NZ 2.94Å; E294-K296 WeakPolarHBondContact OE2-CD 3.34Å; E294-K296 WeakPolarHBondContact OE2-CE 3.4Å; E294-K296 IonicContact OE2-NZ 2.7Å; E294-K296 PolarHBondContact OE2-NZ 3.29Å; E294-H297 PolarHBondContact N-ND1 2.84Å; E294-H297 WeakPolarHBondContact O-CB 3.48Å; E294-H297 PolarHBondContact O-N 3.22Å; E294-H297 VanDerWaalsContact O-N 3.14Å
295	E	98.4	Very high	98.5	Very high	104 Å²	104	36.3 Å²	36.3	49%	0.486	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-38	179.1	-174	163.8	-158.5	0	0	112.9	H297 K298 Y320	E295-H297 PolarHBondContact O-N 3.03Å; E295-K298 WeakPolarHBondContact O-CB 3.48Å; E295-K298 WeakPolarHBondContact O-CE 3.06Å; E295-K298 WeakPolarHBondContact O-CG 3.38Å; E295-K298 PolarHBondContact O-N 3.44Å; E295-K298 VanDerWaalsContact O-N 3.17Å; E295-K298 IonicContact OE1-NZ 2.84Å; E295-K298 PolarHBondContact OE1-NZ 3.18Å; E295-Y320 HydrophobicContact CB-CD1 4.07Å; E295-Y320 HydrophobicContact CB-CD2 3.73Å; E295-Y320 HydrophobicContact CB-CE1 4.03Å; E295-Y320 HydrophobicContact CB-CE2 3.67Å; E295-Y320 HydrophobicContact CB-CG 3.92Å; E295-Y320 HydrophobicContact CG-CD2 4.35Å; E295-Y320 HydrophobicContact CG-CE1 4.05Å; E295-Y320 HydrophobicContact CG-CE2 3.77Å; E295-Y320 PolarHBondContact OE1-OH 3.01Å; E295-Y320 VanDerWaalsContact OE1-OH 3.07Å
296	K	97.4	Very high	98.5	Very high	113 Å²	113	36.1 Å²	36.1	49%	0.491	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-29.6	-179.6	77.3	-170.3	-172.1	-148.5	0	112.5	E294 K298 R299	E294-K296 VanDerWaalsContact C-N 3.26Å; E294-K296 HydrophobicContact CB-CG 4.19Å; E294-K296 PolarHBondContact O-N 3.05Å; E294-K296 IonicContact OE1-NZ 3.46Å; E294-K296 PolarHBondContact OE1-NZ 2.94Å; E294-K296 WeakPolarHBondContact OE2-CD 3.34Å; E294-K296 WeakPolarHBondContact OE2-CE 3.4Å; E294-K296 IonicContact OE2-NZ 2.7Å; E294-K296 PolarHBondContact OE2-NZ 3.29Å; K296-K298 PolarHBondContact O-N 3.33Å; K296-K298 VanDerWaalsContact O-N 3.14Å; K296-R299 PolarHBondContact O-N 2.97Å
297	H	98.6	Very high	98.5	Very high	9 Å²	9	38.1 Å²	38.1	4%	0.042	18%	0.182	C	C	.	.	H	α-helix	trans	-62.8	-22.5	-179.4	-60.3	172.1	0	0	0	111.8	Y260 L292 E294 E295 R299 E300 I301	Y260-H297 AromaticContact CG-CE1 3.78Å; L292-H297 HydrophobicContact CD1-CB 3.89Å; E294-H297 PolarHBondContact N-ND1 2.84Å; E294-H297 WeakPolarHBondContact O-CB 3.48Å; E294-H297 PolarHBondContact O-N 3.22Å; E294-H297 VanDerWaalsContact O-N 3.14Å; E295-H297 PolarHBondContact O-N 3.03Å; H297-R299 VanDerWaalsContact C-N 3.28Å; H297-R299 PolarHBondContact O-N 2.92Å; H297-E300 IonicContact CD2-OE2 2.81Å; H297-E300 PolarHBondContact CD2-OE2 3.31Å; H297-E300 IonicContact CG-OE2 3.89Å; H297-E300 PolarHBondContact O-N 3.4Å; H297-E300 VanDerWaalsContact O-N 3.15Å; H297-I301 HydrophobicContact CB-CD1 4.42Å; H297-I301 WeakPolarHBondContact O-CB 3.21Å; H297-I301 WeakPolarHBondContact O-CG1 3.25Å; H297-I301 PolarHBondContact O-N 3.05Å
298	K	98.4	Very high	98.5	Very high	19 Å²	19	38 Å²	38	8%	0.083	18%	0.181	C	C	.	.	H	α-helix	trans	-52.1	-47	174.3	-71.6	-173	-60.4	-161	0	111.9	L292 E295 K296 L302 Y320 F333	L292-K298 HydrophobicContact CD1-CB 4.48Å; L292-K298 HydrophobicContact CD1-CG 3.67Å; L292-K298 HydrophobicContact CD2-CG 4.24Å; E295-K298 WeakPolarHBondContact O-CB 3.48Å; E295-K298 WeakPolarHBondContact O-CE 3.06Å; E295-K298 WeakPolarHBondContact O-CG 3.38Å; E295-K298 PolarHBondContact O-N 3.44Å; E295-K298 VanDerWaalsContact O-N 3.17Å; E295-K298 IonicContact OE1-NZ 2.84Å; E295-K298 PolarHBondContact OE1-NZ 3.18Å; K296-K298 PolarHBondContact O-N 3.33Å; K296-K298 VanDerWaalsContact O-N 3.14Å; K298-L302 PolarHBondContact O-N 3.34Å; K298-Y320 HydrophobicContact CD-CE1 4.48Å; K298-Y320 PolarHBondContact NZ-OH 3.23Å; K298-F333 HydrophobicContact CB-CD1 4.06Å; K298-F333 HydrophobicContact CB-CD2 4.46Å; K298-F333 HydrophobicContact CB-CE1 3.72Å; K298-F333 HydrophobicContact CB-CE2 4.15Å; K298-F333 HydrophobicContact CB-CG 4.42Å; K298-F333 HydrophobicContact CB-CZ 3.78Å; K298-F333 HydrophobicContact CD-CB 4.21Å; K298-F333 HydrophobicContact CD-CD1 4.02Å; K298-F333 HydrophobicContact CD-CD2 4.38Å; K298-F333 HydrophobicContact CD-CG 3.92Å; K298-F333 HydrophobicContact CG-CD1 4.14Å; K298-F333 HydrophobicContact CG-CE1 4.26Å; K298-F333 HydrophobicContact CG-CG 4.49Å; K298-F333 VanDerWaalsContact O-CZ 3.24Å; K298-F333 WeakPolarHBondContact O-CZ 3.49Å
299	R	98	Very high	98.5	Very high	168 Å²	168	38 Å²	38	63%	0.634	18%	0.181	S	C	*	.	H	α-helix	trans	-72.2	-38.3	179.4	-70	-64.9	-169.2	178	0.5	111.9	K296 H297 L302 T303	K296-R299 PolarHBondContact O-N 2.97Å; H297-R299 VanDerWaalsContact C-N 3.28Å; H297-R299 PolarHBondContact O-N 2.92Å; R299-L302 PolarHBondContact O-N 2.99Å; R299-T303 PolarHBondContact O-N 3.23Å; R299-T303 PolarHBondContact O-OG1 3.2Å; R299-T303 VanDerWaalsContact O-OG1 3.1Å
300	E	98.3	Very high	98.5	Very high	77 Å²	77	38 Å²	38	36%	0.36	18%	0.181	S	C	.	.	H	α-helix	trans	-64.1	-40.9	177.8	-65.6	168.4	-179.6	0	0	111.7	S264 H297 T303 A304	S264-E300 WeakPolarHBondContact CB-O 3.14Å; H297-E300 IonicContact CD2-OE2 2.81Å; H297-E300 PolarHBondContact CD2-OE2 3.31Å; H297-E300 IonicContact CG-OE2 3.89Å; H297-E300 PolarHBondContact O-N 3.4Å; H297-E300 VanDerWaalsContact O-N 3.15Å; E300-T303 PolarHBondContact O-N 2.76Å; E300-A304 WeakPolarHBondContact O-CB 3.46Å; E300-A304 PolarHBondContact O-N 3.11Å
301	I	98.7	Very high	98.5	Very high	7 Å²	7	38 Å²	38	4%	0.036	18%	0.181	C	C	.	.	H	α-helix	trans	-59.8	-45.8	175.6	-71.8	168.8	0	0	0	110.9	A290 L292 H297 A304 G305 F306 L309	A290-I301 HydrophobicContact CB-CB 4.45Å; A290-I301 HydrophobicContact CB-CD1 3.81Å; A290-I301 HydrophobicContact CB-CG1 3.68Å; A290-I301 HydrophobicContact CB-CG2 3.98Å; L292-I301 HydrophobicContact CB-CD1 4.36Å; L292-I301 HydrophobicContact CD1-CD1 3.99Å; H297-I301 HydrophobicContact CB-CD1 4.42Å; H297-I301 WeakPolarHBondContact O-CB 3.21Å; H297-I301 WeakPolarHBondContact O-CG1 3.25Å; H297-I301 PolarHBondContact O-N 3.05Å; I301-A304 WeakPolarHBondContact O-CB 3.41Å; I301-A304 PolarHBondContact O-N 3.47Å; I301-G305 PolarHBondContact O-N 3.07Å; I301-F306 HydrophobicContact CG2-CB 3.81Å; I301-F306 HydrophobicContact CG2-CD2 4.24Å; I301-F306 HydrophobicContact CG2-CG 4.34Å; I301-F306 PolarHBondContact O-N 3.19Å; I301-L309 HydrophobicContact CD1-CB 4.12Å; I301-L309 HydrophobicContact CD1-CD2 4.36Å
302	L	98.1	Very high	98.5	Very high	50 Å²	50	38.5 Å²	38.5	26%	0.262	18%	0.183	S	C	.	.	H	α-helix	trans	-64.8	-43.7	176.3	-177.4	64.4	0	0	0	112.1	K272 K298 R299 A304 G305 F333 N337	K272-L302 PolarHBondContact NZ-O 2.81Å; K272-L302 VanDerWaalsContact NZ-O 3.11Å; K298-L302 PolarHBondContact O-N 3.34Å; R299-L302 PolarHBondContact O-N 2.99Å; L302-A304 VanDerWaalsContact C-N 3.28Å; L302-A304 PolarHBondContact O-N 2.77Å; L302-G305 PolarHBondContact O-N 2.96Å; L302-F333 HydrophobicContact CB-CZ 4.38Å; L302-F333 HydrophobicContact CD2-CZ 4.46Å; L302-N337 HydrophobicContact CD1-CB 3.97Å; L302-N337 HydrophobicContact CD2-CB 4.48Å; L302-N337 VanDerWaalsContact CD2-OD1 3.23Å; L302-N337 WeakPolarHBondContact CD2-OD1 3.37Å
303	T	97.9	Very high	98.5	Very high	73 Å²	73	39.7 Å²	39.7	45%	0.448	19%	0.188	S	C	.	.	H	α-helix	trans	-62.8	-38.1	176.4	-63.4	0	0	0	0	111.3	K272 R299 E300 G305	K272-T303 VanDerWaalsContact CE-O 3.3Å; K272-T303 WeakPolarHBondContact CE-O 3.46Å; K272-T303 PolarHBondContact NZ-O 2.99Å; R299-T303 PolarHBondContact O-N 3.23Å; R299-T303 PolarHBondContact O-OG1 3.2Å; R299-T303 VanDerWaalsContact O-OG1 3.1Å; E300-T303 PolarHBondContact O-N 2.76Å; T303-G305 VanDerWaalsContact C-N 3.31Å; T303-G305 PolarHBondContact O-N 2.89Å
304	A	98.3	Very high	98.5	Very high	2 Å²	2	38.8 Å²	38.8	2%	0.017	18%	0.183	C	C	.	.	H	α-helix	trans	-66.7	-24.9	177.8	0	0	0	0	0	114.2	S264 W267 A268 E300 I301 L302 F306	S264-A304 WeakPolarHBondContact O-CA 3.36Å; W267-A304 CarbonylContact C-O 3.39Å; W267-A304 HydrophobicContact CB-CB 3.46Å; W267-A304 VanDerWaalsContact CB-CB 3.46Å; W267-A304 HydrophobicContact CG-CB 4.06Å; A268-A304 WeakPolarHBondContact CA-O 3.14Å; A268-A304 PolarHBondContact N-O 3.38Å; E300-A304 WeakPolarHBondContact O-CB 3.46Å; E300-A304 PolarHBondContact O-N 3.11Å; I301-A304 WeakPolarHBondContact O-CB 3.41Å; I301-A304 PolarHBondContact O-N 3.47Å; L302-A304 VanDerWaalsContact C-N 3.28Å; L302-A304 PolarHBondContact O-N 2.77Å; A304-F306 HydrophobicContact CB-CD2 3.55Å; A304-F306 HydrophobicContact CB-CE2 3.68Å
305	G	98.4	Very high	98.5	Very high	12 Å²	12	34.6 Å²	34.6	12%	0.124	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	86	21.9	179.6	0	0	0	0	0	115	L271 K272 R280 I301 L302 T303	L271-G305 WeakPolarHBondContact CB-O 3.34Å; K272-G305 VanDerWaalsContact CE-CA 3.49Å; R280-G305 PolarHBondContact NH2-O 3.39Å; I301-G305 PolarHBondContact O-N 3.07Å; L302-G305 PolarHBondContact O-N 2.96Å; T303-G305 VanDerWaalsContact C-N 3.31Å; T303-G305 PolarHBondContact O-N 2.89Å
306	F	98.8	Very high	98.5	Very high	10 Å²	10	32.2 Å²	32.2	4%	0.044	15%	0.154	C	C	.	.			trans	-63.2	151.4	168.7	-75.4	-81.3	0	0	0	111.6	V256 W267 L271 F288 A290 I301 A304 L339	V256-F306 HydrophobicContact CB-CE1 4.4Å; V256-F306 HydrophobicContact CG2-CE1 4.15Å; W267-F306 HydrophobicContact CB-CE2 4.31Å; W267-F306 AromaticContact CD1-CE2 3.81Å; W267-F306 HydrophobicContact CD2-CE1 4.43Å; W267-F306 AromaticContact CD2-CE2 3.82Å; W267-F306 HydrophobicContact CD2-CE2 3.82Å; W267-F306 AromaticContact CD2-CZ 3.47Å; W267-F306 HydrophobicContact CD2-CZ 3.47Å; W267-F306 VanDerWaalsContact CD2-CZ 3.47Å; W267-F306 AromaticContact CE2-CZ 3.48Å; W267-F306 VanDerWaalsContact CE2-CZ 3.48Å; W267-F306 HydrophobicContact CE3-CE1 4.41Å; W267-F306 HydrophobicContact CE3-CE2 4.48Å; W267-F306 AromaticContact CE3-CZ 3.86Å; W267-F306 HydrophobicContact CE3-CZ 3.86Å; W267-F306 AromaticContact CG-CE2 3.72Å; W267-F306 HydrophobicContact CG-CE2 3.72Å; W267-F306 AromaticContact CG-CZ 3.91Å; W267-F306 HydrophobicContact CG-CZ 3.91Å; W267-F306 HydrophobicContact CH2-CZ 4.29Å; W267-F306 AromaticContact CZ2-CZ 3.91Å; W267-F306 HydrophobicContact CZ2-CZ 3.91Å; W267-F306 HydrophobicContact CZ3-CZ 4.25Å; W267-F306 AromaticContact NE1-CE2 3.93Å; W267-F306 AromaticContact NE1-CZ 3.82Å; L271-F306 HydrophobicContact CD1-CD1 3.81Å; L271-F306 HydrophobicContact CD1-CD2 4.21Å; L271-F306 HydrophobicContact CD1-CE1 3.91Å; L271-F306 HydrophobicContact CD1-CE2 4.3Å; L271-F306 HydrophobicContact CD1-CG 3.97Å; L271-F306 HydrophobicContact CD1-CZ 4.15Å; F288-F306 HydrophobicContact CB-CD1 3.66Å; F288-F306 HydrophobicContact CB-CE1 4.07Å; A290-F306 HydrophobicContact CB-CB 4.19Å; A290-F306 HydrophobicContact CB-CD1 3.68Å; A290-F306 HydrophobicContact CB-CD2 3.72Å; A290-F306 HydrophobicContact CB-CE1 3.88Å; A290-F306 HydrophobicContact CB-CE2 3.91Å; A290-F306 HydrophobicContact CB-CG 3.6Å; A290-F306 HydrophobicContact CB-CZ 3.98Å; I301-F306 HydrophobicContact CG2-CB 3.81Å; I301-F306 HydrophobicContact CG2-CD2 4.24Å; I301-F306 HydrophobicContact CG2-CG 4.34Å; I301-F306 PolarHBondContact O-N 3.19Å; A304-F306 HydrophobicContact CB-CD2 3.55Å; A304-F306 HydrophobicContact CB-CE2 3.68Å; F306-L339 VanDerWaalsContact O-CD2 3.23Å; F306-L339 WeakPolarHBondContact O-CD2 3.48Å
307	D	98.6	Very high	98.5	Very high	42 Å²	42	29 Å²	29	23%	0.225	15%	0.153	C	C	.	.	S	Bend	trans	-88.5	-9.2	179.9	-54.2	-79.1	0	0	0	112.6	R280 I287 F288 I340	R280-D307 IonicContact CZ-OD1 3.89Å; R280-D307 IonicContact CZ-OD2 3.44Å; R280-D307 IonicContact NH1-OD1 3.62Å; R280-D307 PolarHBondContact NH1-OD1 3.32Å; R280-D307 IonicContact NH1-OD2 3.73Å; R280-D307 PolarHBondContact NH1-OD2 2.95Å; R280-D307 IonicContact NH2-OD1 3.28Å; R280-D307 PolarHBondContact NH2-OD1 2.76Å; R280-D307 IonicContact NH2-OD2 2.89Å; R280-D307 PolarHBondContact NH2-OD2 3.21Å; I287-D307 WeakPolarHBondContact CA-OD2 3.4Å; I287-D307 HydrophobicContact CB-CB 4.49Å; I287-D307 HydrophobicContact CG2-CB 3.73Å; F288-D307 PolarHBondContact N-OD2 3.04Å; F288-D307 PolarHBondContact O-N 2.64Å; D307-I340 PolarHBondContact O-N 2.95Å
308	G	98.7	Very high	98.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.3	-177.2	-178.6	0	0	0	0	0	113.6	F288 I289 A290 I340	F288-G308 PolarHBondContact O-N 2.78Å; I289-G308 WeakPolarHBondContact CA-O 3.12Å; A290-G308 PolarHBondContact N-O 3.39Å; G308-I340 CarbonylContact C-O 3.48Å; G308-I340 WeakPolarHBondContact CA-O 3.16Å
309	L	98.8	Very high	98.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	156.3	176.6	64.5	85.4	0	0	0	113.4	I289 A290 L292 I301 I330 I340 F341 I342	I289-L309 VanDerWaalsContact CG2-C 3.44Å; A290-L309 CarbonylContact O-C 3.59Å; A290-L309 WeakPolarHBondContact O-CA 3.48Å; A290-L309 WeakPolarHBondContact O-CB 2.95Å; L292-L309 HydrophobicContact CB-CB 4.49Å; L292-L309 HydrophobicContact CB-CD1 4.1Å; L292-L309 HydrophobicContact CD2-CD1 4.04Å; L292-L309 HydrophobicContact CD2-CD2 4.39Å; I301-L309 HydrophobicContact CD1-CB 4.12Å; I301-L309 HydrophobicContact CD1-CD2 4.36Å; L309-I330 HydrophobicContact CD1-CG2 3.55Å; L309-I330 HydrophobicContact CD2-CG2 4.37Å; L309-I340 PolarHBondContact N-O 3.31Å; L309-F341 HydrophobicContact CD1-CD2 3.57Å; L309-F341 HydrophobicContact CD1-CE2 3.85Å; L309-I342 PolarHBondContact O-N 2.89Å
310	Y	98.9	Very high	98.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	171.4	174.2	79.5	-62.4	0	0	0	111.6	F95 H211 Y255 V256 Y257 I289 A290 L291 L292 Y312 I342	F95-Y310 HydrophobicContact CE1-CD2 4.39Å; F95-Y310 HydrophobicContact CE1-CE2 4.02Å; F95-Y310 HydrophobicContact CE2-CD2 4.27Å; F95-Y310 HydrophobicContact CE2-CE2 4.36Å; F95-Y310 AromaticContact CZ-CD2 3.53Å; F95-Y310 HydrophobicContact CZ-CD2 3.53Å; F95-Y310 AromaticContact CZ-CE2 3.52Å; F95-Y310 HydrophobicContact CZ-CE2 3.52Å; H211-Y310 AromaticContact NE2-CZ 3.86Å; H211-Y310 PolarHBondContact NE2-OH 2.97Å; Y255-Y310 AromaticContact CD1-CD1 3.91Å; Y255-Y310 HydrophobicContact CD1-CD1 3.91Å; Y255-Y310 AromaticContact CD1-CD2 3.92Å; Y255-Y310 HydrophobicContact CD1-CD2 3.92Å; Y255-Y310 HydrophobicContact CD1-CE1 4.2Å; Y255-Y310 HydrophobicContact CD1-CE2 4.17Å; Y255-Y310 AromaticContact CD1-CG 3.77Å; Y255-Y310 HydrophobicContact CD1-CG 3.77Å; Y255-Y310 HydrophobicContact CE1-CD2 4.33Å; Y255-Y310 HydrophobicContact CE1-CG 4.12Å; V256-Y310 PolarHBondContact O-OH 2.82Å; Y257-Y310 WeakPolarHBondContact CA-OH 3.3Å; Y257-Y310 WeakPolarHBondContact CD2-OH 3.44Å; Y257-Y310 PolarHBondContact N-OH 2.91Å; I289-Y310 HydrophobicContact CG2-CD1 3.84Å; I289-Y310 HydrophobicContact CG2-CG 4.24Å; A290-Y310 WeakPolarHBondContact O-CD1 3.43Å; A290-Y310 PolarHBondContact O-N 2.99Å; L291-Y310 VanDerWaalsContact CA-CE1 3.5Å; L291-Y310 HydrophobicContact CB-CD1 4.37Å; L291-Y310 HydrophobicContact CB-CE1 3.65Å; L291-Y310 HydrophobicContact CD1-CD1 4.46Å; L291-Y310 HydrophobicContact CD1-CD2 4.46Å; L291-Y310 HydrophobicContact CD1-CE1 4.13Å; L291-Y310 HydrophobicContact CD1-CE2 4.15Å; L291-Y310 HydrophobicContact CG-CE1 4.48Å; L292-Y310 PolarHBondContact N-O 2.92Å; Y310-Y312 HydrophobicContact CE2-CD2 4.06Å; Y310-Y312 HydrophobicContact CE2-CG 4.31Å; Y310-I342 WeakPolarHBondContact CA-O 3.33Å; Y310-I342 VanDerWaalsContact CB-O 3.25Å; Y310-I342 WeakPolarHBondContact CB-O 3.34Å
311	T	98.9	Very high	98.6	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.132	C	C	.	.			trans	-119.6	-11.6	-167.6	65.1	0	0	0	0	115.4	F313 G321 F341 S344	T311-F313 VanDerWaalsContact C-N 3.3Å; T311-F313 VanDerWaalsContact O-CD2 3.32Å; T311-F313 WeakPolarHBondContact O-CD2 3.39Å; T311-F313 PolarHBondContact O-N 2.94Å; T311-G321 WeakPolarHBondContact CB-O 3.45Å; T311-G321 WeakPolarHBondContact CG2-O 3.48Å; T311-F341 HydrophobicContact CG2-CE2 4.21Å; T311-S344 PolarHBondContact N-OG 2.58Å; T311-S344 WeakPolarHBondContact OG1-CB 3.38Å; T311-S344 PolarHBondContact OG1-N 3.4Å
312	Y	98.9	Very high	98.6	Very high	10 Å²	10	22.9 Å²	22.9	4%	0.039	13%	0.131	C	C	.	.			trans	49.2	-68.1	179.1	-172.1	-103.9	0	0	0	116.8	F95 Y97 H211 Y257 Y310 A314 S344 T389	F95-Y312 HydrophobicContact CD2-CD2 4.04Å; F95-Y312 HydrophobicContact CD2-CE2 4.27Å; F95-Y312 AromaticContact CE2-CD2 3.92Å; F95-Y312 HydrophobicContact CE2-CD2 3.92Å; F95-Y312 HydrophobicContact CG-CD2 4.4Å; F95-Y312 HydrophobicContact CG-CE2 4.29Å; F95-Y312 HydrophobicContact CZ-CD2 4.19Å; Y97-Y312 WeakPolarHBondContact OH-CE2 3.13Å; Y97-Y312 PolarHBondContact OH-OH 2.92Å; H211-Y312 AromaticContact CE1-CD2 3.92Å; H211-Y312 AromaticContact CE1-CE2 3.58Å; Y257-Y312 HydrophobicContact CD2-CD1 4.33Å; Y257-Y312 HydrophobicContact CD2-CD2 4.28Å; Y257-Y312 HydrophobicContact CD2-CE2 4.47Å; Y257-Y312 HydrophobicContact CD2-CG 4.18Å; Y257-Y312 AromaticContact CE2-CD1 3.37Å; Y257-Y312 HydrophobicContact CE2-CD1 3.37Å; Y257-Y312 HydrophobicContact CE2-CD2 4.08Å; Y257-Y312 AromaticContact CE2-CE1 3.54Å; Y257-Y312 HydrophobicContact CE2-CE1 3.54Å; Y257-Y312 HydrophobicContact CE2-CE2 4.23Å; Y257-Y312 AromaticContact CE2-CG 3.63Å; Y257-Y312 HydrophobicContact CE2-CG 3.63Å; Y257-Y312 AromaticContact CE2-CZ 3.95Å; Y257-Y312 AromaticContact CZ-CD1 3.96Å; Y257-Y312 AromaticContact CZ-CE1 3.75Å; Y257-Y312 WeakPolarHBondContact OH-CE1 3.46Å; Y310-Y312 HydrophobicContact CE2-CD2 4.06Å; Y310-Y312 HydrophobicContact CE2-CG 4.31Å; Y312-A314 PolarHBondContact O-N 3.48Å; Y312-S344 VanDerWaalsContact CA-CB 3.47Å; Y312-S344 WeakPolarHBondContact CA-OG 3.22Å; Y312-S344 PolarHBondContact N-OG 3.47Å; Y312-S344 WeakPolarHBondContact O-CB 3.49Å; Y312-T389 HydrophobicContact CD2-CG2 4.5Å; Y312-T389 HydrophobicContact CE2-CG2 4.37Å; Y312-T389 WeakPolarHBondContact O-CB 3.4Å; Y312-T389 VanDerWaalsContact O-CG2 3.31Å; Y312-T389 WeakPolarHBondContact O-CG2 3.45Å; Y312-T389 PolarHBondContact O-OG1 3.32Å
313	F	98.8	Very high	98.6	Very high	25 Å²	25	21.3 Å²	21.3	11%	0.11	12%	0.123	C	C	.	.			trans	-60.3	129	-163.2	-49.9	-78.9	0	0	0	113.7	Y257 L291 V293 T311 T315 F318 T319 S322	Y257-F313 WeakPolarHBondContact OH-CE1 3.39Å; L291-F313 HydrophobicContact CD1-CE2 4.42Å; L291-F313 HydrophobicContact CD2-CE2 4.36Å; L291-F313 HydrophobicContact CD2-CZ 4.3Å; V293-F313 HydrophobicContact CG2-CE2 4.16Å; T311-F313 VanDerWaalsContact C-N 3.3Å; T311-F313 VanDerWaalsContact O-CD2 3.32Å; T311-F313 WeakPolarHBondContact O-CD2 3.39Å; T311-F313 PolarHBondContact O-N 2.94Å; F313-T315 PolarHBondContact O-N 2.76Å; F313-F318 HydrophobicContact CB-CD1 3.91Å; F313-F318 AromaticContact CD1-CD1 3.58Å; F313-F318 HydrophobicContact CD1-CD1 3.58Å; F313-F318 AromaticContact CD1-CE1 3.57Å; F313-F318 HydrophobicContact CD1-CE1 3.57Å; F313-F318 AromaticContact CD2-CD1 3.98Å; F313-F318 HydrophobicContact CD2-CD1 3.98Å; F313-F318 HydrophobicContact CD2-CE1 4.4Å; F313-F318 HydrophobicContact CE1-CD1 4.06Å; F313-F318 AromaticContact CE1-CE1 3.62Å; F313-F318 HydrophobicContact CE1-CE1 3.62Å; F313-F318 HydrophobicContact CE2-CD1 4.43Å; F313-F318 HydrophobicContact CE2-CE1 4.44Å; F313-F318 AromaticContact CG-CD1 3.53Å; F313-F318 HydrophobicContact CG-CD1 3.53Å; F313-F318 AromaticContact CG-CE1 3.98Å; F313-F318 HydrophobicContact CG-CE1 3.98Å; F313-F318 HydrophobicContact CZ-CD1 4.46Å; F313-F318 HydrophobicContact CZ-CE1 4.07Å; F313-T319 HydrophobicContact CD2-CG2 3.58Å; F313-T319 HydrophobicContact CE2-CG2 3.57Å; F313-T319 HydrophobicContact CG-CG2 4.38Å; F313-T319 HydrophobicContact CZ-CG2 4.34Å; F313-S322 WeakPolarHBondContact O-CB 3.35Å
314	A	98.6	Very high	98.6	Very high	4 Å²	4	19.2 Å²	19.2	3%	0.033	11%	0.109	C	C	.	.	S	Bend	trans	-70.2	-17.8	177.9	0	0	0	0	0	113.7	Y312 N316 G348 Y370 T389 T398	Y312-A314 PolarHBondContact O-N 3.48Å; A314-N316 PolarHBondContact O-N 2.72Å; A314-G348 WeakPolarHBondContact CB-O 3.32Å; A314-Y370 WeakPolarHBondContact O-CE1 3.39Å; A314-Y370 PolarHBondContact O-OH 3.27Å; A314-T389 HydrophobicContact CB-CG2 4.36Å; A314-T398 HydrophobicContact CB-CG2 3.56Å
315	T	98.8	Very high	98.7	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.012	15%	0.147	C	C	.	.	S	Bend	trans	-84.8	107.3	-178.5	-62.9	0	0	0	0	111.5	F313 G317 F318 S322 Y349 N361 R363	F313-T315 PolarHBondContact O-N 2.76Å; T315-G317 PolarHBondContact O-N 3.27Å; T315-F318 HydrophobicContact CG2-CB 3.91Å; T315-F318 WeakPolarHBondContact O-CB 3.48Å; T315-F318 PolarHBondContact O-N 2.96Å; T315-F318 VanDerWaalsContact O-N 3.14Å; T315-S322 PolarHBondContact O-OG 2.79Å; T315-Y349 WeakPolarHBondContact OG1-CB 3.25Å; T315-N361 HydrophobicContact CG2-CB 4.27Å; T315-N361 VanDerWaalsContact CG2-O 3.27Å; T315-N361 WeakPolarHBondContact CG2-O 3.44Å; T315-N361 PolarHBondContact OG1-O 2.73Å; T315-N361 VanDerWaalsContact OG1-O 3.11Å; T315-R363 HydrophobicContact CG2-CG 3.92Å
316	N	98.6	Very high	98.7	Very high	53 Å²	53	30.1 Å²	30.1	28%	0.283	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	124.1	172	-176.1	22.8	0	0	0	109.9	A314 S322 T323 Q324 R363 Y370	A314-N316 PolarHBondContact O-N 2.72Å; N316-S322 WeakPolarHBondContact CA-O 3.5Å; N316-S322 PolarHBondContact OD1-O 3.1Å; N316-T323 WeakPolarHBondContact OD1-CA 3.49Å; N316-Q324 PolarHBondContact OD1-N 2.78Å; N316-R363 PolarHBondContact O-NE 2.91Å; N316-R363 PolarHBondContact O-NH2 2.94Å; N316-Y370 PolarHBondContact N-OH 3.28Å
317	G	98	Very high	98.7	Very high	45 Å²	45	29.8 Å²	29.8	46%	0.464	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	92	2.4	-178.4	0	0	0	0	0	115.5	T315 T323	T315-G317 PolarHBondContact O-N 3.27Å; G317-T323 WeakPolarHBondContact CA-OG1 3.47Å
318	F	98.2	Very high	98.7	Very high	92 Å²	92	31 Å²	31	40%	0.404	16%	0.162	S	C	.	.	S	Bend	trans	-72	-41.3	178.4	180	-124.1	0	0	0	112.3	F313 T315 N361	F313-F318 HydrophobicContact CB-CD1 3.91Å; F313-F318 AromaticContact CD1-CD1 3.58Å; F313-F318 HydrophobicContact CD1-CD1 3.58Å; F313-F318 AromaticContact CD1-CE1 3.57Å; F313-F318 HydrophobicContact CD1-CE1 3.57Å; F313-F318 AromaticContact CD2-CD1 3.98Å; F313-F318 HydrophobicContact CD2-CD1 3.98Å; F313-F318 HydrophobicContact CD2-CE1 4.4Å; F313-F318 HydrophobicContact CE1-CD1 4.06Å; F313-F318 AromaticContact CE1-CE1 3.62Å; F313-F318 HydrophobicContact CE1-CE1 3.62Å; F313-F318 HydrophobicContact CE2-CD1 4.43Å; F313-F318 HydrophobicContact CE2-CE1 4.44Å; F313-F318 AromaticContact CG-CD1 3.53Å; F313-F318 HydrophobicContact CG-CD1 3.53Å; F313-F318 AromaticContact CG-CE1 3.98Å; F313-F318 HydrophobicContact CG-CE1 3.98Å; F313-F318 HydrophobicContact CZ-CD1 4.46Å; F313-F318 HydrophobicContact CZ-CE1 4.07Å; T315-F318 HydrophobicContact CG2-CB 3.91Å; T315-F318 WeakPolarHBondContact O-CB 3.48Å; T315-F318 PolarHBondContact O-N 2.96Å; T315-F318 VanDerWaalsContact O-N 3.14Å; F318-N361 WeakPolarHBondContact CD2-OD1 3.23Å
319	T	98.8	Very high	98.7	Very high	17 Å²	17	34 Å²	34	10%	0.104	18%	0.183	C	C	.	.	S	Bend	trans	-133.6	170.2	178.6	75.7	0	0	0	0	109.8	V293 F313 G321 S322 T323	V293-T319 HydrophobicContact CG1-CG2 3.78Å; V293-T319 WeakPolarHBondContact O-CB 3.09Å; F313-T319 HydrophobicContact CD2-CG2 3.58Å; F313-T319 HydrophobicContact CE2-CG2 3.57Å; F313-T319 HydrophobicContact CG-CG2 4.38Å; F313-T319 HydrophobicContact CZ-CG2 4.34Å; T319-G321 VanDerWaalsContact C-N 3.27Å; T319-G321 PolarHBondContact O-N 3.06Å; T319-G321 PolarHBondContact OG1-N 2.79Å; T319-S322 PolarHBondContact N-OG 2.74Å; T319-S322 PolarHBondContact O-N 2.82Å; T319-S322 PolarHBondContact OG1-N 3.26Å; T319-S322 PolarHBondContact OG1-OG 2.96Å; T319-T323 WeakPolarHBondContact O-CB 3.3Å; T319-T323 PolarHBondContact O-N 3.34Å; T319-T323 PolarHBondContact O-OG1 2.92Å
320	Y	98.8	Very high	98.7	Very high	41 Å²	41	34 Å²	34	16%	0.161	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-43.2	172	173.8	-88.1	0	0	0	110.7	L292 V293 E295 K298 T323 N326 I330	L292-Y320 HydrophobicContact CD2-CD1 4.22Å; L292-Y320 HydrophobicContact CD2-CE1 4.27Å; V293-Y320 WeakPolarHBondContact O-CA 3.35Å; V293-Y320 VanDerWaalsContact O-CB 3.27Å; V293-Y320 WeakPolarHBondContact O-CB 3.36Å; V293-Y320 PolarHBondContact O-N 3.24Å; E295-Y320 HydrophobicContact CB-CD1 4.07Å; E295-Y320 HydrophobicContact CB-CD2 3.73Å; E295-Y320 HydrophobicContact CB-CE1 4.03Å; E295-Y320 HydrophobicContact CB-CE2 3.67Å; E295-Y320 HydrophobicContact CB-CG 3.92Å; E295-Y320 HydrophobicContact CG-CD2 4.35Å; E295-Y320 HydrophobicContact CG-CE1 4.05Å; E295-Y320 HydrophobicContact CG-CE2 3.77Å; E295-Y320 PolarHBondContact OE1-OH 3.01Å; E295-Y320 VanDerWaalsContact OE1-OH 3.07Å; K298-Y320 HydrophobicContact CD-CE1 4.48Å; K298-Y320 PolarHBondContact NZ-OH 3.23Å; Y320-T323 PolarHBondContact O-N 2.87Å; Y320-N326 WeakPolarHBondContact CD2-ND2 3.38Å; Y320-N326 HydrophobicContact CE1-CB 4.37Å; Y320-N326 HydrophobicContact CE2-CB 4.26Å; Y320-N326 PolarHBondContact O-ND2 3.07Å; Y320-I330 HydrophobicContact CD1-CD1 4.21Å; Y320-I330 HydrophobicContact CE1-CD1 3.78Å; Y320-I330 HydrophobicContact CE1-CG1 3.75Å
321	G	98.7	Very high	98.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-41	179.6	0	0	0	0	0	113.6	L292 V293 T311 T319 T323 W327	L292-G321 WeakPolarHBondContact O-CA 3.31Å; V293-G321 PolarHBondContact O-N 3.1Å; T311-G321 WeakPolarHBondContact CB-O 3.45Å; T311-G321 WeakPolarHBondContact CG2-O 3.48Å; T319-G321 VanDerWaalsContact C-N 3.27Å; T319-G321 PolarHBondContact O-N 3.06Å; T319-G321 PolarHBondContact OG1-N 2.79Å; G321-T323 VanDerWaalsContact C-N 3.27Å; G321-T323 PolarHBondContact O-N 2.72Å; G321-W327 PolarHBondContact O-NE1 3.44Å
322	S	98.8	Very high	98.6	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.021	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-1.5	179.5	65.1	0	0	0	0	114.2	F313 T315 N316 T319 Q324	F313-S322 WeakPolarHBondContact O-CB 3.35Å; T315-S322 PolarHBondContact O-OG 2.79Å; N316-S322 WeakPolarHBondContact CA-O 3.5Å; N316-S322 PolarHBondContact OD1-O 3.1Å; T319-S322 PolarHBondContact N-OG 2.74Å; T319-S322 PolarHBondContact O-N 2.82Å; T319-S322 PolarHBondContact OG1-N 3.26Å; T319-S322 PolarHBondContact OG1-OG 2.96Å; S322-Q324 PolarHBondContact O-N 3.04Å
323	T	98.8	Very high	98.6	Very high	17 Å²	17	38 Å²	38	10%	0.104	21%	0.209	C	C	.	.			trans	-83.4	105.8	175.2	-58.5	0	0	0	0	110.1	N316 G317 T319 Y320 G321 R325 N326	N316-T323 WeakPolarHBondContact OD1-CA 3.49Å; G317-T323 WeakPolarHBondContact CA-OG1 3.47Å; T319-T323 WeakPolarHBondContact O-CB 3.3Å; T319-T323 PolarHBondContact O-N 3.34Å; T319-T323 PolarHBondContact O-OG1 2.92Å; Y320-T323 PolarHBondContact O-N 2.87Å; G321-T323 VanDerWaalsContact C-N 3.27Å; G321-T323 PolarHBondContact O-N 2.72Å; T323-R325 VanDerWaalsContact C-N 3.26Å; T323-R325 HydrophobicContact CG2-CG 3.69Å; T323-R325 PolarHBondContact O-N 3.35Å; T323-R325 VanDerWaalsContact O-N 3.08Å; T323-N326 WeakPolarHBondContact O-CB 3.32Å; T323-N326 PolarHBondContact O-N 2.95Å
324	Q	98.5	Very high	98.6	Very high	29 Å²	29	36.9 Å²	36.9	14%	0.136	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-53.9	-35.6	-171.4	-68.1	166.8	2.9	0	0	114.4	N316 S322 N326 W327 S374 A377	N316-Q324 PolarHBondContact OD1-N 2.78Å; S322-Q324 PolarHBondContact O-N 3.04Å; Q324-N326 PolarHBondContact O-N 3.25Å; Q324-N326 VanDerWaalsContact O-N 3.08Å; Q324-W327 HydrophobicContact CB-CD2 4.42Å; Q324-W327 HydrophobicContact CB-CE3 4.3Å; Q324-W327 HydrophobicContact CB-CZ3 4.4Å; Q324-W327 HydrophobicContact CG-CD2 4.44Å; Q324-W327 HydrophobicContact CG-CE3 4.19Å; Q324-W327 HydrophobicContact CG-CH2 3.72Å; Q324-W327 HydrophobicContact CG-CZ2 3.97Å; Q324-W327 HydrophobicContact CG-CZ3 3.82Å; Q324-W327 WeakPolarHBondContact O-CB 3.49Å; Q324-W327 PolarHBondContact O-N 2.86Å; Q324-S374 VanDerWaalsContact NE2-CA 3.35Å; Q324-S374 VanDerWaalsContact NE2-CB 3.31Å; Q324-S374 PolarHBondContact NE2-OG 3.26Å; Q324-A377 HydrophobicContact CB-CB 4.01Å; Q324-A377 HydrophobicContact CG-CB 4.2Å
325	R	98.5	Very high	98.6	Very high	216 Å²	216	40.7 Å²	40.7	82%	0.815	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-61.3	-19	177.9	77.3	-171.6	177.5	-159.6	-3.1	113.8	T323	T323-R325 VanDerWaalsContact C-N 3.26Å; T323-R325 HydrophobicContact CG2-CG 3.69Å; T323-R325 PolarHBondContact O-N 3.35Å; T323-R325 VanDerWaalsContact O-N 3.08Å
326	N	98.8	Very high	98.6	Very high	26 Å²	26	46.9 Å²	46.9	14%	0.139	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-88.1	-14.2	179.8	-59.9	-20.1	0	0	0	112.2	Y320 T323 Q324 A328 S329 I330	Y320-N326 WeakPolarHBondContact CD2-ND2 3.38Å; Y320-N326 HydrophobicContact CE1-CB 4.37Å; Y320-N326 HydrophobicContact CE2-CB 4.26Å; Y320-N326 PolarHBondContact O-ND2 3.07Å; T323-N326 WeakPolarHBondContact O-CB 3.32Å; T323-N326 PolarHBondContact O-N 2.95Å; Q324-N326 PolarHBondContact O-N 3.25Å; Q324-N326 VanDerWaalsContact O-N 3.08Å; N326-A328 VanDerWaalsContact C-N 3.32Å; N326-A328 PolarHBondContact O-N 3.39Å; N326-S329 PolarHBondContact O-N 2.92Å; N326-I330 HydrophobicContact CB-CD1 3.94Å; N326-I330 WeakPolarHBondContact O-CG1 3.25Å; N326-I330 PolarHBondContact O-N 2.97Å
327	W	98.8	Very high	98.5	Very high	3 Å²	3	46.6 Å²	46.6	1%	0.011	26%	0.255	C	S	.	.	H	α-helix	trans	-62.3	-34.4	-171.7	-70.2	-10.1	0	0	0	113.7	G321 Q324 S329 I330 K331 F341 P343 V345 A377 A378	G321-W327 PolarHBondContact O-NE1 3.44Å; Q324-W327 HydrophobicContact CB-CD2 4.42Å; Q324-W327 HydrophobicContact CB-CE3 4.3Å; Q324-W327 HydrophobicContact CB-CZ3 4.4Å; Q324-W327 HydrophobicContact CG-CD2 4.44Å; Q324-W327 HydrophobicContact CG-CE3 4.19Å; Q324-W327 HydrophobicContact CG-CH2 3.72Å; Q324-W327 HydrophobicContact CG-CZ2 3.97Å; Q324-W327 HydrophobicContact CG-CZ3 3.82Å; Q324-W327 WeakPolarHBondContact O-CB 3.49Å; Q324-W327 PolarHBondContact O-N 2.86Å; W327-S329 PolarHBondContact O-N 2.61Å; W327-I330 PolarHBondContact O-N 3.06Å; W327-K331 WeakPolarHBondContact O-CB 3.43Å; W327-K331 PolarHBondContact O-N 3.39Å; W327-F341 HydrophobicContact CB-CE1 4.16Å; W327-F341 HydrophobicContact CB-CZ 4.03Å; W327-F341 AromaticContact CD1-CZ 3.96Å; W327-F341 HydrophobicContact CG-CE1 4.48Å; W327-F341 AromaticContact CG-CZ 3.95Å; W327-F341 HydrophobicContact CG-CZ 3.95Å; W327-P343 HydrophobicContact CD2-CB 4Å; W327-P343 HydrophobicContact CE3-CB 4.08Å; W327-P343 HydrophobicContact CH2-CB 4.16Å; W327-P343 HydrophobicContact CZ2-CB 4.09Å; W327-P343 HydrophobicContact CZ3-CB 4.17Å; W327-V345 HydrophobicContact CH2-CG1 3.88Å; W327-V345 HydrophobicContact CZ3-CG1 4.23Å; W327-A377 HydrophobicContact CE3-CB 4.05Å; W327-A377 HydrophobicContact CZ3-CB 3.96Å; W327-A378 HydrophobicContact CE3-CB 4.23Å; W327-A378 HydrophobicContact CH2-CB 4.45Å; W327-A378 HydrophobicContact CZ3-CB 3.68Å
328	A	98.6	Very high	98.5	Very high	69 Å²	69	52.1 Å²	52.1	57%	0.57	27%	0.274	S	S	*	.	H	α-helix	trans	-62.1	-41.9	173	0	0	0	0	0	112.3	N326 A332	N326-A328 VanDerWaalsContact C-N 3.32Å; N326-A328 PolarHBondContact O-N 3.39Å; A328-A332 WeakPolarHBondContact O-CB 3.43Å; A328-A332 PolarHBondContact O-N 2.77Å
329	S	98.6	Very high	98.5	Very high	63 Å²	63	48.3 Å²	48.3	44%	0.441	26%	0.258	S	S	.	.	H	α-helix	trans	-70.6	-36.8	176.6	177.4	0	0	0	0	112.2	N326 W327 F333	N326-S329 PolarHBondContact O-N 2.92Å; W327-S329 PolarHBondContact O-N 2.61Å; S329-F333 PolarHBondContact O-N 2.76Å
330	I	98.8	Very high	98.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-65.9	-44.3	176.1	-67.3	161.4	0	0	0	110.1	L292 L309 Y320 N326 W327 F333 C334 F341	L292-I330 HydrophobicContact CD2-CD1 3.67Å; L292-I330 HydrophobicContact CD2-CG1 3.8Å; L292-I330 HydrophobicContact CD2-CG2 3.94Å; L309-I330 HydrophobicContact CD1-CG2 3.55Å; L309-I330 HydrophobicContact CD2-CG2 4.37Å; Y320-I330 HydrophobicContact CD1-CD1 4.21Å; Y320-I330 HydrophobicContact CE1-CD1 3.78Å; Y320-I330 HydrophobicContact CE1-CG1 3.75Å; N326-I330 HydrophobicContact CB-CD1 3.94Å; N326-I330 WeakPolarHBondContact O-CG1 3.25Å; N326-I330 PolarHBondContact O-N 2.97Å; W327-I330 PolarHBondContact O-N 3.06Å; I330-F333 WeakPolarHBondContact O-CB 3.23Å; I330-F333 PolarHBondContact O-N 3.28Å; I330-C334 PolarHBondContact O-N 3.47Å; I330-C334 PolarHBondContact O-SG 3.37Å; I330-F341 HydrophobicContact CB-CE2 4.28Å; I330-F341 HydrophobicContact CB-CZ 4.37Å; I330-F341 HydrophobicContact CG2-CD2 3.7Å; I330-F341 HydrophobicContact CG2-CE2 3.44Å; I330-F341 VanDerWaalsContact CG2-CE2 3.44Å; I330-F341 HydrophobicContact CG2-CG 4.47Å; I330-F341 HydrophobicContact CG2-CZ 4Å
331	K	98.8	Very high	98.4	Very high	26 Å²	26	46.8 Å²	46.8	11%	0.113	25%	0.252	C	S	.	.	H	α-helix	trans	-60	-48.3	174.6	179.4	60.7	155.6	77.8	0	111.8	W327 F333 C334 D335 F341 S381 R382	W327-K331 WeakPolarHBondContact O-CB 3.43Å; W327-K331 PolarHBondContact O-N 3.39Å; K331-F333 VanDerWaalsContact C-N 3.26Å; K331-F333 PolarHBondContact O-N 3.35Å; K331-C334 WeakPolarHBondContact O-CA 3.44Å; K331-C334 WeakPolarHBondContact O-CB 3.48Å; K331-C334 PolarHBondContact O-N 2.97Å; K331-D335 IonicContact NZ-OD1 3.6Å; K331-D335 PolarHBondContact NZ-OD1 2.79Å; K331-D335 IonicContact NZ-OD2 3.76Å; K331-D335 PolarHBondContact NZ-OD2 3.17Å; K331-D335 PolarHBondContact O-N 3.42Å; K331-F341 HydrophobicContact CB-CD1 3.89Å; K331-F341 HydrophobicContact CB-CE1 4.3Å; K331-F341 HydrophobicContact CD-CB 3.83Å; K331-F341 HydrophobicContact CD-CD1 3.91Å; K331-F341 HydrophobicContact CD-CG 4.28Å; K331-F341 HydrophobicContact CG-CD1 4.44Å; K331-S381 VanDerWaalsContact CG-O 3.27Å; K331-S381 WeakPolarHBondContact CG-O 3.27Å; K331-R382 WeakPolarHBondContact CE-O 3.46Å
332	A	98.7	Very high	98.5	Very high	45 Å²	45	46.8 Å²	46.8	37%	0.372	25%	0.252	S	S	.	.	H	α-helix	trans	-57	-42.6	177.8	0	0	0	0	0	111.6	A328 C334 D335 D336	A328-A332 WeakPolarHBondContact O-CB 3.43Å; A328-A332 PolarHBondContact O-N 2.77Å; A332-C334 VanDerWaalsContact C-N 3.32Å; A332-C334 PolarHBondContact O-N 3Å; A332-D335 PolarHBondContact O-N 3.12Å; A332-D336 WeakPolarHBondContact O-CB 3.36Å; A332-D336 VanDerWaalsContact O-CG 3.25Å; A332-D336 PolarHBondContact O-N 3.14Å
333	F	98.8	Very high	98.5	Very high	23 Å²	23	46.6 Å²	46.6	10%	0.101	25%	0.251	C	S	.	.	H	α-helix	trans	-61	-40.1	173.1	174	-93.7	0	0	0	112.6	K298 L302 S329 I330 K331 N337 L339	K298-F333 HydrophobicContact CB-CD1 4.06Å; K298-F333 HydrophobicContact CB-CD2 4.46Å; K298-F333 HydrophobicContact CB-CE1 3.72Å; K298-F333 HydrophobicContact CB-CE2 4.15Å; K298-F333 HydrophobicContact CB-CG 4.42Å; K298-F333 HydrophobicContact CB-CZ 3.78Å; K298-F333 HydrophobicContact CD-CB 4.21Å; K298-F333 HydrophobicContact CD-CD1 4.02Å; K298-F333 HydrophobicContact CD-CD2 4.38Å; K298-F333 HydrophobicContact CD-CG 3.92Å; K298-F333 HydrophobicContact CG-CD1 4.14Å; K298-F333 HydrophobicContact CG-CE1 4.26Å; K298-F333 HydrophobicContact CG-CG 4.49Å; K298-F333 VanDerWaalsContact O-CZ 3.24Å; K298-F333 WeakPolarHBondContact O-CZ 3.49Å; L302-F333 HydrophobicContact CB-CZ 4.38Å; L302-F333 HydrophobicContact CD2-CZ 4.46Å; S329-F333 PolarHBondContact O-N 2.76Å; I330-F333 WeakPolarHBondContact O-CB 3.23Å; I330-F333 PolarHBondContact O-N 3.28Å; K331-F333 VanDerWaalsContact C-N 3.26Å; K331-F333 PolarHBondContact O-N 3.35Å; F333-N337 PolarHBondContact O-N 3.23Å; F333-N337 PolarHBondContact O-ND2 3.19Å; F333-L339 HydrophobicContact CD1-CD1 4.42Å; F333-L339 HydrophobicContact CE1-CD1 3.79Å
334	C	98.6	Very high	98.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-66.3	-43.2	178.3	-64.3	0	0	0	0	111.5	I330 K331 A332 N337 D338 L339 F341	I330-C334 PolarHBondContact O-N 3.47Å; I330-C334 PolarHBondContact O-SG 3.37Å; K331-C334 WeakPolarHBondContact O-CA 3.44Å; K331-C334 WeakPolarHBondContact O-CB 3.48Å; K331-C334 PolarHBondContact O-N 2.97Å; A332-C334 VanDerWaalsContact C-N 3.32Å; A332-C334 PolarHBondContact O-N 3Å; C334-N337 CarbonylContact O-C 3.45Å; C334-N337 PolarHBondContact O-N 3.14Å; C334-N337 VanDerWaalsContact O-N 3.17Å; C334-D338 PolarHBondContact O-N 3.33Å; C334-L339 HydrophobicContact CB-CB 3.91Å; C334-L339 WeakPolarHBondContact CB-O 3.46Å; C334-L339 PolarHBondContact O-N 2.86Å; C334-F341 HydrophobicContact CB-CB 4.07Å
335	D	97.7	Very high	98.5	Very high	84 Å²	84	44.5 Å²	44.5	45%	0.449	24%	0.24	S	C	.	.	H	α-helix	trans	-61.9	-44	176.6	-71.7	-24.2	0	0	0	112.5	K331 A332 N337	K331-D335 IonicContact NZ-OD1 3.6Å; K331-D335 PolarHBondContact NZ-OD1 2.79Å; K331-D335 IonicContact NZ-OD2 3.76Å; K331-D335 PolarHBondContact NZ-OD2 3.17Å; K331-D335 PolarHBondContact O-N 3.42Å; A332-D335 PolarHBondContact O-N 3.12Å; D335-N337 PolarHBondContact O-N 3.27Å; D335-N337 VanDerWaalsContact O-N 3.12Å
336	D	98.4	Very high	98.5	Very high	133 Å²	133	34.2 Å²	34.2	71%	0.711	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-13.7	178.5	-72	-18.2	0	0	0	113.4	A332	A332-D336 WeakPolarHBondContact O-CB 3.36Å; A332-D336 VanDerWaalsContact O-CG 3.25Å; A332-D336 PolarHBondContact O-N 3.14Å
337	N	97.9	Very high	98.5	Very high	46 Å²	46	33 Å²	33	25%	0.246	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.3	17.2	-173.5	-62.9	-90.7	0	0	0	113.4	L302 F333 C334 D335 L339	L302-N337 HydrophobicContact CD1-CB 3.97Å; L302-N337 HydrophobicContact CD2-CB 4.48Å; L302-N337 VanDerWaalsContact CD2-OD1 3.23Å; L302-N337 WeakPolarHBondContact CD2-OD1 3.37Å; F333-N337 PolarHBondContact O-N 3.23Å; F333-N337 PolarHBondContact O-ND2 3.19Å; C334-N337 CarbonylContact O-C 3.45Å; C334-N337 PolarHBondContact O-N 3.14Å; C334-N337 VanDerWaalsContact O-N 3.17Å; D335-N337 PolarHBondContact O-N 3.27Å; D335-N337 VanDerWaalsContact O-N 3.12Å; N337-L339 HydrophobicContact CB-CD1 4.36Å; N337-L339 HydrophobicContact CB-CG 4.19Å; N337-L339 PolarHBondContact O-N 2.77Å
338	D	96.4	Very high	98.5	Very high	161 Å²	161	32.9 Å²	32.9	86%	0.861	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	36.3	179.5	-62.1	-53.4	0	0	0	114.2	C334	C334-D338 PolarHBondContact O-N 3.33Å
339	L	98.1	Very high	98.5	Very high	13 Å²	13	30.5 Å²	30.5	7%	0.068	17%	0.17	C	C	.	.			trans	-99	145.8	178	-61	179.8	0	0	0	111.5	F306 F333 C334 N337	F306-L339 VanDerWaalsContact O-CD2 3.23Å; F306-L339 WeakPolarHBondContact O-CD2 3.48Å; F333-L339 HydrophobicContact CD1-CD1 4.42Å; F333-L339 HydrophobicContact CE1-CD1 3.79Å; C334-L339 HydrophobicContact CB-CB 3.91Å; C334-L339 WeakPolarHBondContact CB-O 3.46Å; C334-L339 PolarHBondContact O-N 2.86Å; N337-L339 HydrophobicContact CB-CD1 4.36Å; N337-L339 HydrophobicContact CB-CG 4.19Å; N337-L339 PolarHBondContact O-N 2.77Å
340	I	98.4	Very high	98.5	Very high	25 Å²	25	28.5 Å²	28.5	13%	0.128	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	129.9	169.6	-64.5	170	0	0	0	109.5	Y243 I287 I289 D307 G308 L309 I342 D384 F385	Y243-I340 HydrophobicContact CE1-CD1 4.43Å; I287-I340 HydrophobicContact CG2-CD1 3.82Å; I289-I340 HydrophobicContact CD1-CB 4.19Å; I289-I340 HydrophobicContact CD1-CD1 4.4Å; I289-I340 HydrophobicContact CD1-CG2 4.26Å; D307-I340 PolarHBondContact O-N 2.95Å; G308-I340 CarbonylContact C-O 3.48Å; G308-I340 WeakPolarHBondContact CA-O 3.16Å; L309-I340 PolarHBondContact N-O 3.31Å; I340-I342 HydrophobicContact CG2-CD1 3.92Å; I340-I342 HydrophobicContact CG2-CG1 3.64Å; I340-D384 HydrophobicContact CG2-CB 3.86Å; I340-F385 HydrophobicContact CG2-CD2 3.73Å; I340-F385 HydrophobicContact CG2-CE2 3.95Å
341	F	98.8	Very high	98.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	122.6	170.8	-179.1	-132.9	0	0	0	112.2	L309 T311 W327 I330 K331 C334 P343 P383 D384	L309-F341 HydrophobicContact CD1-CD2 3.57Å; L309-F341 HydrophobicContact CD1-CE2 3.85Å; T311-F341 HydrophobicContact CG2-CE2 4.21Å; W327-F341 HydrophobicContact CB-CE1 4.16Å; W327-F341 HydrophobicContact CB-CZ 4.03Å; W327-F341 AromaticContact CD1-CZ 3.96Å; W327-F341 HydrophobicContact CG-CE1 4.48Å; W327-F341 AromaticContact CG-CZ 3.95Å; W327-F341 HydrophobicContact CG-CZ 3.95Å; I330-F341 HydrophobicContact CB-CE2 4.28Å; I330-F341 HydrophobicContact CB-CZ 4.37Å; I330-F341 HydrophobicContact CG2-CD2 3.7Å; I330-F341 HydrophobicContact CG2-CE2 3.44Å; I330-F341 VanDerWaalsContact CG2-CE2 3.44Å; I330-F341 HydrophobicContact CG2-CG 4.47Å; I330-F341 HydrophobicContact CG2-CZ 4Å; K331-F341 HydrophobicContact CB-CD1 3.89Å; K331-F341 HydrophobicContact CB-CE1 4.3Å; K331-F341 HydrophobicContact CD-CB 3.83Å; K331-F341 HydrophobicContact CD-CD1 3.91Å; K331-F341 HydrophobicContact CD-CG 4.28Å; K331-F341 HydrophobicContact CG-CD1 4.44Å; C334-F341 HydrophobicContact CB-CB 4.07Å; F341-P343 HydrophobicContact CD1-CG 4.4Å; F341-P343 HydrophobicContact CE1-CB 4Å; F341-P343 HydrophobicContact CE1-CG 3.89Å; F341-P343 HydrophobicContact CE2-CB 4.33Å; F341-P343 HydrophobicContact CZ-CB 3.69Å; F341-P343 HydrophobicContact CZ-CG 4.08Å; F341-P383 HydrophobicContact CD1-CB 4.06Å; F341-D384 PolarHBondContact N-OD2 3.5Å; F341-D384 PolarHBondContact O-N 3.02Å
342	I	98.9	Very high	98.4	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	84.7	178.1	-43.6	-169.8	0	0	0	110.3	Y255 I289 L309 Y310 I340 F385	Y255-I342 HydrophobicContact CE1-CD1 3.87Å; Y255-I342 HydrophobicContact CE1-CG2 4.31Å; Y255-I342 VanDerWaalsContact OH-CD1 3.29Å; Y255-I342 WeakPolarHBondContact OH-CD1 3.34Å; I289-I342 HydrophobicContact CD1-CD1 4.18Å; I289-I342 HydrophobicContact CG1-CD1 4.06Å; I289-I342 HydrophobicContact CG2-CD1 4.12Å; I289-I342 HydrophobicContact CG2-CG1 4.42Å; L309-I342 PolarHBondContact O-N 2.89Å; Y310-I342 WeakPolarHBondContact CA-O 3.33Å; Y310-I342 VanDerWaalsContact CB-O 3.25Å; Y310-I342 WeakPolarHBondContact CB-O 3.34Å; I340-I342 HydrophobicContact CG2-CD1 3.92Å; I340-I342 HydrophobicContact CG2-CG1 3.64Å; I342-F385 HydrophobicContact CB-CB 4.36Å; I342-F385 HydrophobicContact CD1-CB 4.01Å; I342-F385 HydrophobicContact CD1-CD2 3.87Å; I342-F385 HydrophobicContact CD1-CG 4.13Å; I342-F385 HydrophobicContact CG1-CB 3.95Å; I342-F385 HydrophobicContact CG1-CD2 4.1Å; I342-F385 HydrophobicContact CG1-CG 4.42Å; I342-F385 HydrophobicContact CG2-CB 3.82Å
343	P	98.9	Very high	98.3	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.147	C	C	.	.			trans	-60.3	142.7	172.2	25.8	-33.1	0	0	0	110.6	W327 F341 A378 P383 F385 S387	W327-P343 HydrophobicContact CD2-CB 4Å; W327-P343 HydrophobicContact CE3-CB 4.08Å; W327-P343 HydrophobicContact CH2-CB 4.16Å; W327-P343 HydrophobicContact CZ2-CB 4.09Å; W327-P343 HydrophobicContact CZ3-CB 4.17Å; F341-P343 HydrophobicContact CD1-CG 4.4Å; F341-P343 HydrophobicContact CE1-CB 4Å; F341-P343 HydrophobicContact CE1-CG 3.89Å; F341-P343 HydrophobicContact CE2-CB 4.33Å; F341-P343 HydrophobicContact CZ-CB 3.69Å; F341-P343 HydrophobicContact CZ-CG 4.08Å; P343-A378 HydrophobicContact CB-CB 4.27Å; P343-A378 HydrophobicContact CG-CB 3.96Å; P343-P383 HydrophobicContact CG-CB 3.68Å; P343-P383 HydrophobicContact CG-CG 3.84Å; P343-F385 WeakPolarHBondContact CD-O 3.34Å; P343-S387 PolarHBondContact O-N 2.99Å; P343-S387 PolarHBondContact O-OG 2.92Å; P343-S387 VanDerWaalsContact O-OG 3.06Å
344	S	98.9	Very high	98.2	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.014	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	123.9	176.4	-51.1	0	0	0	0	110.6	T311 Y312 S387	T311-S344 PolarHBondContact N-OG 2.58Å; T311-S344 WeakPolarHBondContact OG1-CB 3.38Å; T311-S344 PolarHBondContact OG1-N 3.4Å; Y312-S344 VanDerWaalsContact CA-CB 3.47Å; Y312-S344 WeakPolarHBondContact CA-OG 3.22Å; Y312-S344 PolarHBondContact N-OG 3.47Å; Y312-S344 WeakPolarHBondContact O-CB 3.49Å; S344-S387 CarbonylContact C-O 3.56Å; S344-S387 VanDerWaalsContact CA-O 3.28Å; S344-S387 WeakPolarHBondContact CA-O 3.49Å; S344-S387 VanDerWaalsContact CA-OG 3.26Å; S344-S387 WeakPolarHBondContact CA-OG 3.34Å; S344-S387 WeakPolarHBondContact CB-OG 3.4Å; S344-S387 PolarHBondContact OG-OG 3.01Å
345	V	98.9	Very high	98.1	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	144.3	-178.6	-63.8	0	0	0	0	110.1	W327 Y371 S374 L375 A378 I386 S387 I388 T389	W327-V345 HydrophobicContact CH2-CG1 3.88Å; W327-V345 HydrophobicContact CZ3-CG1 4.23Å; V345-Y371 HydrophobicContact CB-CE2 4.31Å; V345-Y371 HydrophobicContact CG2-CE2 3.97Å; V345-S374 WeakPolarHBondContact CG1-O 3.18Å; V345-L375 HydrophobicContact CB-CD2 4.48Å; V345-L375 HydrophobicContact CG2-CD2 3.72Å; V345-L375 HydrophobicContact CG2-CG 4.21Å; V345-A378 HydrophobicContact CG1-CB 3.66Å; V345-I386 HydrophobicContact CG1-CG2 4.46Å; V345-I386 HydrophobicContact CG2-CG2 3.8Å; V345-S387 WeakPolarHBondContact CG2-O 3.35Å; V345-S387 PolarHBondContact N-O 3.48Å; V345-I388 HydrophobicContact CG2-CG1 4.22Å; V345-I388 CarbonylContact O-C 3.47Å; V345-I388 WeakPolarHBondContact O-CA 3.49Å; V345-T389 PolarHBondContact O-N 3.16Å
346	G	98.8	Very high	97.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.138	C	C	.	.			trans	-138.8	156.9	176.2	0	0	0	0	0	113.3	G348 Y370 Y371 T389	G346-G348 VanDerWaalsContact C-N 3.28Å; G346-G348 PolarHBondContact O-N 2.85Å; G346-Y370 WeakPolarHBondContact O-CD1 3.23Å; G346-Y370 WeakPolarHBondContact O-CE1 3.46Å; G346-Y371 VanDerWaalsContact C-CD2 3.42Å; G346-Y371 WeakPolarHBondContact O-CD2 3.47Å; G346-T389 WeakPolarHBondContact CA-O 3.44Å
347	P	98.8	Very high	97.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	-76.3	-16	-174.4	31.8	-36.4	0	0	0	114.2	R365 Y370 Y371 T389 T398 I400 Y423	P347-R365 WeakPolarHBondContact O-CA 3.21Å; P347-R365 WeakPolarHBondContact O-CB 3.43Å; P347-R365 WeakPolarHBondContact O-CG 3.38Å; P347-Y370 WeakPolarHBondContact O-CD1 3.24Å; P347-Y371 HydrophobicContact CB-CD1 4.27Å; P347-Y371 HydrophobicContact CB-CD2 4.25Å; P347-Y371 HydrophobicContact CB-CG 3.98Å; P347-T389 WeakPolarHBondContact CD-O 3.44Å; P347-T398 WeakPolarHBondContact CD-O 3.35Å; P347-T398 WeakPolarHBondContact CG-O 3.32Å; P347-I400 HydrophobicContact CB-CG2 4.41Å; P347-I400 HydrophobicContact CG-CG2 3.99Å; P347-Y423 HydrophobicContact CB-CD1 3.48Å; P347-Y423 VanDerWaalsContact CB-CD1 3.48Å; P347-Y423 HydrophobicContact CB-CE1 3.68Å; P347-Y423 HydrophobicContact CB-CG 4.27Å
348	G	98.8	Very high	97.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.109	C	C	.	.			trans	163.1	-170.6	-178.7	0	0	0	0	0	108.6	A314 G346 R363	A314-G348 WeakPolarHBondContact CB-O 3.32Å; G346-G348 VanDerWaalsContact C-N 3.28Å; G346-G348 PolarHBondContact O-N 2.85Å; G348-R363 WeakPolarHBondContact CA-O 3.34Å
349	Y	98.9	Very high	97.6	Very high	19 Å²	19	19.7 Å²	19.7	8%	0.075	9%	0.092	C	C	.	.	B	Isolated β-bridge	trans	-154	135.4	176.8	-176.3	-89.5	0	0	0	109.9	T315 D351 N358 N361 T362 R363 E396 T398	T315-Y349 WeakPolarHBondContact OG1-CB 3.25Å; Y349-D351 HydrophobicContact CE1-CB 4.09Å; Y349-D351 PolarHBondContact OH-OD2 3.35Å; Y349-N358 PolarHBondContact OH-ND2 2.55Å; Y349-N361 HydrophobicContact CD1-CB 4.22Å; Y349-N361 WeakPolarHBondContact CD1-O 3.37Å; Y349-N361 HydrophobicContact CE1-CB 4Å; Y349-T362 CarbonylContact O-C 3.43Å; Y349-T362 VanDerWaalsContact O-CA 3.27Å; Y349-T362 WeakPolarHBondContact O-CA 3.34Å; Y349-R363 PolarHBondContact N-O 3.47Å; Y349-R363 PolarHBondContact O-N 3.48Å; Y349-E396 HydrophobicContact CD2-CB 4.19Å; Y349-E396 HydrophobicContact CE2-CB 3.69Å; Y349-E396 HydrophobicContact CE2-CG 4.21Å; Y349-T398 HydrophobicContact CD2-CG2 3.64Å; Y349-T398 HydrophobicContact CE2-CG2 4.35Å
350	I	98.7	Very high	97.4	Very high	22 Å²	22	27 Å²	27	11%	0.113	12%	0.124	C	C	.	.			trans	-165	118.3	168.7	-177.6	174.9	0	0	0	108.5	N142 Y143 T352 T362 E396 G397 L413	N142-I350 HydrophobicContact CB-CD1 4.17Å; N142-I350 HydrophobicContact CB-CG1 4.21Å; N142-I350 HydrophobicContact CB-CG2 3.8Å; N142-I350 PolarHBondContact OD1-O 3.06Å; Y143-I350 HydrophobicContact CD2-CG2 4.37Å; Y143-I350 HydrophobicContact CE2-CG2 3.68Å; I350-T352 HydrophobicContact CG1-CG2 4.38Å; I350-T362 HydrophobicContact CB-CG2 4.15Å; I350-T362 HydrophobicContact CD1-CG2 4.39Å; I350-T362 HydrophobicContact CG1-CG2 4.27Å; I350-E396 CarbonylContact C-O 3.44Å; I350-E396 PolarHBondContact N-O 2.85Å; I350-E396 CarbonylContact O-C 3.51Å; I350-E396 VanDerWaalsContact O-O 3.11Å; I350-G397 WeakPolarHBondContact O-CA 3.1Å; I350-G397 PolarHBondContact O-N 3.1Å; I350-L413 HydrophobicContact CD1-CD1 3.75Å; I350-L413 HydrophobicContact CG2-CD1 4.1Å
351	D	98.2	Very high	97.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.125	C	C	.	.			trans	-120.7	15.1	-177.2	69.6	-25.8	0	0	0	112.7	Y349 S353 V354 R355 N358 H395 E396	Y349-D351 HydrophobicContact CE1-CB 4.09Å; Y349-D351 PolarHBondContact OH-OD2 3.35Å; D351-S353 PolarHBondContact O-N 3.19Å; D351-S353 VanDerWaalsContact O-N 3.11Å; D351-V354 HydrophobicContact CB-CG2 4.31Å; D351-V354 VanDerWaalsContact O-CG2 3.31Å; D351-V354 WeakPolarHBondContact O-CG2 3.23Å; D351-V354 PolarHBondContact O-N 3.28Å; D351-R355 PolarHBondContact O-N 3.08Å; D351-R355 WeakPolarHBondContact OD2-CB 3.3Å; D351-R355 VanDerWaalsContact OD2-CD 3.25Å; D351-R355 WeakPolarHBondContact OD2-CD 3.43Å; D351-R355 IonicContact OD2-CZ 3.65Å; D351-R355 IonicContact OD2-NE 2.76Å; D351-R355 IonicContact OD2-NH1 3.42Å; D351-R355 PolarHBondContact OD2-NH1 3.01Å; D351-N358 VanDerWaalsContact CG-ND2 3.35Å; D351-N358 WeakPolarHBondContact OD1-CB 3.49Å; D351-N358 PolarHBondContact OD1-ND2 3.14Å; D351-N358 PolarHBondContact OD2-ND2 2.69Å; D351-H395 VanDerWaalsContact CA-O 3.25Å; D351-H395 WeakPolarHBondContact CA-O 3.17Å; D351-H395 WeakPolarHBondContact CB-O 3.49Å; D351-E396 HydrophobicContact CB-CB 4.49Å; D351-E396 HydrophobicContact CB-CG 4.46Å
352	T	97.1	Very high	97.4	Very high	37 Å²	37	28.8 Å²	28.8	23%	0.227	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-12.9	-170.3	54.8	0	0	0	0	113.9	N142 I350 V354 P356 F359	N142-T352 PolarHBondContact ND2-OG1 2.78Å; N142-T352 PolarHBondContact OD1-N 2.65Å; I350-T352 HydrophobicContact CG1-CG2 4.38Å; T352-V354 VanDerWaalsContact C-N 3.34Å; T352-P356 WeakPolarHBondContact O-CA 3.47Å; T352-F359 HydrophobicContact CG2-CB 4.08Å
353	S	95.7	Very high	97.3	Very high	13 Å²	13	32.1 Å²	32.1	9%	0.091	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-44.2	167.3	56	0	0	0	0	111	Q116 H133 A141 N142 D351	Q116-S353 WeakPolarHBondContact CG-O 3.5Å; Q116-S353 PolarHBondContact NE2-O 2.89Å; H133-S353 PolarHBondContact NE2-O 2.96Å; A141-S353 VanDerWaalsContact CA-OG 3.29Å; A141-S353 WeakPolarHBondContact CA-OG 3.43Å; A141-S353 PolarHBondContact N-OG 3.43Å; N142-S353 PolarHBondContact OD1-N 3.2Å; N142-S353 VanDerWaalsContact OD1-N 3.11Å; N142-S353 PolarHBondContact OD1-OG 2.97Å; D351-S353 PolarHBondContact O-N 3.19Å; D351-S353 VanDerWaalsContact O-N 3.11Å
354	V	96.6	Very high	97.3	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.006	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-25.2	-176.4	-65.4	0	0	0	0	113.8	H114 L117 G140 D351 T352 H395	H114-V354 HydrophobicContact CB-CG1 3.84Å; H114-V354 WeakPolarHBondContact ND1-CG1 3.23Å; L117-V354 PolarHBondContact N-O 3.27Å; G140-V354 WeakPolarHBondContact O-CG1 3.45Å; D351-V354 HydrophobicContact CB-CG2 4.31Å; D351-V354 VanDerWaalsContact O-CG2 3.31Å; D351-V354 WeakPolarHBondContact O-CG2 3.23Å; D351-V354 PolarHBondContact O-N 3.28Å; T352-V354 VanDerWaalsContact C-N 3.34Å; V354-H395 HydrophobicContact CG1-CB 4.49Å; V354-H395 HydrophobicContact CG2-CB 4.09Å
355	R	96.8	Very high	97.3	Very high	60 Å²	60	38 Å²	38	23%	0.226	18%	0.178	C	C	.	.			trans	-128.8	75.9	175.8	-56.6	-173.7	-158.7	102	-3	110.2	L117 D351 W357 N358 E396	L117-R355 HydrophobicContact CB-CG 4.35Å; L117-R355 HydrophobicContact CD1-CG 4.06Å; D351-R355 PolarHBondContact O-N 3.08Å; D351-R355 WeakPolarHBondContact OD2-CB 3.3Å; D351-R355 VanDerWaalsContact OD2-CD 3.25Å; D351-R355 WeakPolarHBondContact OD2-CD 3.43Å; D351-R355 IonicContact OD2-CZ 3.65Å; D351-R355 IonicContact OD2-NE 2.76Å; D351-R355 IonicContact OD2-NH1 3.42Å; D351-R355 PolarHBondContact OD2-NH1 3.01Å; R355-W357 HydrophobicContact CB-CZ2 4.17Å; R355-W357 HydrophobicContact CG-CZ2 4.21Å; R355-W357 PolarHBondContact O-N 3.42Å; R355-N358 HydrophobicContact CB-CB 3.85Å; R355-N358 WeakPolarHBondContact O-CB 3.41Å; R355-N358 PolarHBondContact O-N 2.94Å; R355-E396 IonicContact CZ-OE1 3.06Å; R355-E396 IonicContact NH1-OE1 3.39Å; R355-E396 PolarHBondContact NH1-OE1 2.95Å; R355-E396 IonicContact NH2-OE1 2.74Å; R355-E396 PolarHBondContact NH2-OE1 2.88Å
356	P	94.7	Very high	97.3	Very high	19 Å²	19	43.4 Å²	43.4	12%	0.123	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-25	-173.4	-27.8	36.4	0	0	0	115	Y128 T352	Y128-P356 HydrophobicContact CD1-CB 3.43Å; Y128-P356 VanDerWaalsContact CD1-CB 3.43Å; Y128-P356 HydrophobicContact CE1-CB 4.13Å; Y128-P356 WeakPolarHBondContact CE1-O 3.43Å; Y128-P356 HydrophobicContact CG-CB 3.92Å; T352-P356 WeakPolarHBondContact O-CA 3.47Å
357	W	94.8	Very high	97.3	Very high	67 Å²	67	48.4 Å²	48.4	25%	0.254	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-11.2	178.7	46.5	-93.3	0	0	0	114.4	L117 H119 Y128 R355 F359	L117-W357 PolarHBondContact O-NE1 3.49Å; H119-W357 HydrophobicContact CB-CB 4.41Å; H119-W357 HydrophobicContact CB-CD2 4.33Å; H119-W357 HydrophobicContact CB-CG 3.91Å; H119-W357 AromaticContact CD2-CD2 3.67Å; H119-W357 AromaticContact CD2-CE3 3.81Å; H119-W357 AromaticContact CD2-CG 3.72Å; Y128-W357 HydrophobicContact CD2-CB 3.97Å; Y128-W357 HydrophobicContact CE1-CB 4.48Å; Y128-W357 HydrophobicContact CE2-CB 3.53Å; R355-W357 HydrophobicContact CB-CZ2 4.17Å; R355-W357 HydrophobicContact CG-CZ2 4.21Å; R355-W357 PolarHBondContact O-N 3.42Å; W357-F359 VanDerWaalsContact C-N 3.34Å; W357-F359 PolarHBondContact O-N 2.91Å
358	N	95.8	Very high	97.2	Very high	20 Å²	20	48.4 Å²	48.4	11%	0.107	23%	0.233	C	C	.	.			trans	-92	16.7	-171.2	-163.2	32.3	0	0	0	114.5	Y349 D351 R355 K360 N361	Y349-N358 PolarHBondContact OH-ND2 2.55Å; D351-N358 VanDerWaalsContact CG-ND2 3.35Å; D351-N358 WeakPolarHBondContact OD1-CB 3.49Å; D351-N358 PolarHBondContact OD1-ND2 3.14Å; D351-N358 PolarHBondContact OD2-ND2 2.69Å; R355-N358 HydrophobicContact CB-CB 3.85Å; R355-N358 WeakPolarHBondContact O-CB 3.41Å; R355-N358 PolarHBondContact O-N 2.94Å; N358-K360 PolarHBondContact O-N 3.3Å; N358-N361 PolarHBondContact O-N 3.43Å; N358-N361 PolarHBondContact OD1-ND2 3.41Å
359	F	94.2	Very high	97.2	Very high	116 Å²	116	54.4 Å²	54.4	51%	0.509	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-55.4	-26	-176.3	68	-89	0	0	0	114.7	T352 W357 N361 T362	T352-F359 HydrophobicContact CG2-CB 4.08Å; W357-F359 VanDerWaalsContact C-N 3.34Å; W357-F359 PolarHBondContact O-N 2.91Å; F359-N361 PolarHBondContact O-N 3.07Å; F359-T362 VanDerWaalsContact O-CB 3.24Å; F359-T362 WeakPolarHBondContact O-CB 3.49Å; F359-T362 PolarHBondContact O-N 3.29Å; F359-T362 PolarHBondContact O-OG1 2.85Å
360	K	95.7	Very high	97.2	Very high	166 Å²	166	54.9 Å²	54.9	72%	0.722	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-59.9	-28.2	177.5	-68.7	-177.6	179.4	175.9	0	113.2	N358 T362 R363	N358-K360 PolarHBondContact O-N 3.3Å; K360-T362 VanDerWaalsContact C-N 3.34Å; K360-R363 PolarHBondContact O-NH1 2.67Å
361	N	96.9	Very high	97.3	Very high	30 Å²	30	53.8 Å²	53.8	16%	0.16	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-88.4	-3.5	179.5	-71.7	-45.7	0	0	0	113.1	T315 F318 Y349 N358 F359 R363	T315-N361 HydrophobicContact CG2-CB 4.27Å; T315-N361 VanDerWaalsContact CG2-O 3.27Å; T315-N361 WeakPolarHBondContact CG2-O 3.44Å; T315-N361 PolarHBondContact OG1-O 2.73Å; T315-N361 VanDerWaalsContact OG1-O 3.11Å; F318-N361 WeakPolarHBondContact CD2-OD1 3.23Å; Y349-N361 HydrophobicContact CD1-CB 4.22Å; Y349-N361 WeakPolarHBondContact CD1-O 3.37Å; Y349-N361 HydrophobicContact CE1-CB 4Å; N358-N361 PolarHBondContact O-N 3.43Å; N358-N361 PolarHBondContact OD1-ND2 3.41Å; F359-N361 PolarHBondContact O-N 3.07Å; N361-R363 PolarHBondContact O-N 3.35Å
362	T	98.5	Very high	97.3	Very high	33 Å²	33	56 Å²	56	20%	0.202	27%	0.265	C	S	.	.			trans	-59.8	137.1	177.1	-66	0	0	0	0	111.4	Y349 I350 F359 K360	Y349-T362 CarbonylContact O-C 3.43Å; Y349-T362 VanDerWaalsContact O-CA 3.27Å; Y349-T362 WeakPolarHBondContact O-CA 3.34Å; I350-T362 HydrophobicContact CB-CG2 4.15Å; I350-T362 HydrophobicContact CD1-CG2 4.39Å; I350-T362 HydrophobicContact CG1-CG2 4.27Å; F359-T362 VanDerWaalsContact O-CB 3.24Å; F359-T362 WeakPolarHBondContact O-CB 3.49Å; F359-T362 PolarHBondContact O-N 3.29Å; F359-T362 PolarHBondContact O-OG1 2.85Å; K360-T362 VanDerWaalsContact C-N 3.34Å
363	R	98.6	Very high	97.4	Very high	70 Å²	70	57.3 Å²	57.3	26%	0.264	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-132.6	110.2	174	-63.6	-65.4	-179.1	-86.1	-3.6	108.6	T315 N316 G348 Y349 K360 N361 Y370	T315-R363 HydrophobicContact CG2-CG 3.92Å; N316-R363 PolarHBondContact O-NE 2.91Å; N316-R363 PolarHBondContact O-NH2 2.94Å; G348-R363 WeakPolarHBondContact CA-O 3.34Å; Y349-R363 PolarHBondContact N-O 3.47Å; Y349-R363 PolarHBondContact O-N 3.48Å; K360-R363 PolarHBondContact O-NH1 2.67Å; N361-R363 PolarHBondContact O-N 3.35Å; R363-Y370 HydrophobicContact CB-CD2 4.22Å; R363-Y370 HydrophobicContact CB-CE1 4.29Å; R363-Y370 HydrophobicContact CB-CE2 3.7Å; R363-Y370 HydrophobicContact CG-CE2 3.85Å
364	N	98.5	Very high	97.5	Very high	116 Å²	116	56.9 Å²	56.9	62%	0.62	27%	0.27	S	S	*	.			trans	-61.4	141	176.2	-66.8	-13.7	0	0	0	109.9	I366 Y370	N364-I366 HydrophobicContact CB-CG1 4.08Å; N364-I366 PolarHBondContact O-N 2.67Å; N364-Y370 WeakPolarHBondContact O-CB 3.49Å
365	R	98.8	Very high	97.6	Very high	9 Å²	9	57 Å²	57	3%	0.034	27%	0.271	C	S	.	.			trans	-71.2	-20.6	-179.3	-53.3	-165.2	173.2	-159.9	-2.6	113.4	Y143 P347 N367 G368 K369 Y370 G397 Q399 Y415 Y423	Y143-R365 PolarHBondContact OH-NE 2.96Å; P347-R365 WeakPolarHBondContact O-CA 3.21Å; P347-R365 WeakPolarHBondContact O-CB 3.43Å; P347-R365 WeakPolarHBondContact O-CG 3.38Å; R365-N367 VanDerWaalsContact C-N 3.29Å; R365-N367 PolarHBondContact O-N 3.03Å; R365-G368 CarbonylContact O-C 3.57Å; R365-G368 PolarHBondContact O-N 3.41Å; R365-K369 PolarHBondContact O-N 2.97Å; R365-Y370 PolarHBondContact O-N 3.01Å; R365-G397 PolarHBondContact NH2-O 3.31Å; R365-Q399 VanDerWaalsContact CZ-O 3.29Å; R365-Q399 PolarHBondContact NH1-O 3.32Å; R365-Q399 VanDerWaalsContact NH2-NE2 3.18Å; R365-Q399 PolarHBondContact NH2-O 3.21Å; R365-Q399 VanDerWaalsContact NH2-OE1 3.15Å; R365-Y415 PolarHBondContact NH1-OH 2.64Å; R365-Y423 HydrophobicContact CB-CE1 4.28Å; R365-Y423 WeakPolarHBondContact CB-OH 3.48Å; R365-Y423 WeakPolarHBondContact CD-OH 3.37Å; R365-Y423 VanDerWaalsContact NH1-CD2 3.33Å; R365-Y423 VanDerWaalsContact NH1-CE2 3.26Å
366	I	98.4	Very high	97.7	Very high	114 Å²	114	56 Å²	56	59%	0.585	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	47	52.6	179.5	-48.3	170.7	0	0	0	110.3	N364 G368 K369	N364-I366 HydrophobicContact CB-CG1 4.08Å; N364-I366 PolarHBondContact O-N 2.67Å; I366-G368 PolarHBondContact O-N 3.23Å; I366-G368 VanDerWaalsContact O-N 3.1Å; I366-K369 HydrophobicContact CB-CB 4.19Å; I366-K369 HydrophobicContact CG2-CB 4.13Å; I366-K369 VanDerWaalsContact O-CB 3.32Å; I366-K369 WeakPolarHBondContact O-CB 3.21Å; I366-K369 PolarHBondContact O-N 3.26Å
367	N	98.1	Very high	97.9	Very high	104 Å²	104	56 Å²	56	56%	0.556	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	50.6	36.5	-178.8	-61.3	-29.3	0	0	0	114.2	R365	R365-N367 VanDerWaalsContact C-N 3.29Å; R365-N367 PolarHBondContact O-N 3.03Å
368	G	98.5	Very high	98.1	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.01	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	96.7	-14	-179.6	0	0	0	0	0	114.8	R365 I366 Y370 Y371 E372	R365-G368 CarbonylContact O-C 3.57Å; R365-G368 PolarHBondContact O-N 3.41Å; I366-G368 PolarHBondContact O-N 3.23Å; I366-G368 VanDerWaalsContact O-N 3.1Å; G368-Y370 VanDerWaalsContact C-N 3.32Å; G368-Y370 PolarHBondContact O-N 3.17Å; G368-Y371 WeakPolarHBondContact O-CB 3.48Å; G368-Y371 PolarHBondContact O-N 3.42Å; G368-Y371 VanDerWaalsContact O-N 3.08Å; G368-E372 PolarHBondContact O-N 3.43Å
369	K	98.8	Very high	98.2	Very high	125 Å²	125	53 Å²	53	54%	0.543	26%	0.264	S	S	.	.	H	α-helix	trans	-64.4	-35.5	-175.7	-174.6	60.3	-178.1	176.5	0	113	R365 I366 Y371 T373	R365-K369 PolarHBondContact O-N 2.97Å; I366-K369 HydrophobicContact CB-CB 4.19Å; I366-K369 HydrophobicContact CG2-CB 4.13Å; I366-K369 VanDerWaalsContact O-CB 3.32Å; I366-K369 WeakPolarHBondContact O-CB 3.21Å; I366-K369 PolarHBondContact O-N 3.26Å; K369-Y371 VanDerWaalsContact C-N 3.3Å; K369-Y371 PolarHBondContact O-N 3.19Å; K369-T373 WeakPolarHBondContact O-CB 3.35Å; K369-T373 PolarHBondContact O-N 3.11Å; K369-T373 PolarHBondContact O-OG1 3.13Å
370	Y	98.8	Very high	98.4	Very high	29 Å²	29	54.4 Å²	54.4	11%	0.114	27%	0.271	C	S	.	.	H	α-helix	trans	-60.4	-45.1	174.5	-179.3	-90.3	0	0	0	110.6	A314 N316 G346 P347 R363 N364 R365 G368 T373 S374	A314-Y370 WeakPolarHBondContact O-CE1 3.39Å; A314-Y370 PolarHBondContact O-OH 3.27Å; N316-Y370 PolarHBondContact N-OH 3.28Å; G346-Y370 WeakPolarHBondContact O-CD1 3.23Å; G346-Y370 WeakPolarHBondContact O-CE1 3.46Å; P347-Y370 WeakPolarHBondContact O-CD1 3.24Å; R363-Y370 HydrophobicContact CB-CD2 4.22Å; R363-Y370 HydrophobicContact CB-CE1 4.29Å; R363-Y370 HydrophobicContact CB-CE2 3.7Å; R363-Y370 HydrophobicContact CG-CE2 3.85Å; N364-Y370 WeakPolarHBondContact O-CB 3.49Å; R365-Y370 PolarHBondContact O-N 3.01Å; G368-Y370 VanDerWaalsContact C-N 3.32Å; G368-Y370 PolarHBondContact O-N 3.17Å; Y370-T373 PolarHBondContact O-N 3.44Å; Y370-S374 PolarHBondContact O-N 2.9Å; Y370-S374 VanDerWaalsContact O-N 3.1Å
371	Y	98.9	Very high	98.5	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64.2	-50.1	-179.5	-163.7	-152.9	0	0	0	112.4	V345 G346 P347 G368 K369 T373 S374 L375 I388 I400 Y423 I426 T427	V345-Y371 HydrophobicContact CB-CE2 4.31Å; V345-Y371 HydrophobicContact CG2-CE2 3.97Å; G346-Y371 VanDerWaalsContact C-CD2 3.42Å; G346-Y371 WeakPolarHBondContact O-CD2 3.47Å; P347-Y371 HydrophobicContact CB-CD1 4.27Å; P347-Y371 HydrophobicContact CB-CD2 4.25Å; P347-Y371 HydrophobicContact CB-CG 3.98Å; G368-Y371 WeakPolarHBondContact O-CB 3.48Å; G368-Y371 PolarHBondContact O-N 3.42Å; G368-Y371 VanDerWaalsContact O-N 3.08Å; K369-Y371 VanDerWaalsContact C-N 3.3Å; K369-Y371 PolarHBondContact O-N 3.19Å; Y371-T373 PolarHBondContact O-N 3.34Å; Y371-S374 WeakPolarHBondContact O-CB 3.29Å; Y371-S374 PolarHBondContact O-N 3.32Å; Y371-S374 VanDerWaalsContact O-N 3.09Å; Y371-L375 HydrophobicContact CD1-CD1 3.86Å; Y371-L375 HydrophobicContact CD2-CD1 3.84Å; Y371-L375 HydrophobicContact CD2-CG 4.19Å; Y371-L375 HydrophobicContact CE1-CD1 3.75Å; Y371-L375 HydrophobicContact CE2-CD1 3.76Å; Y371-L375 HydrophobicContact CE2-CD2 4.43Å; Y371-L375 HydrophobicContact CE2-CG 4.01Å; Y371-L375 HydrophobicContact CG-CD1 3.89Å; Y371-L375 PolarHBondContact O-N 3.15Å; Y371-I388 WeakPolarHBondContact OH-CG2 3.06Å; Y371-I400 HydrophobicContact CE1-CG2 4.21Å; Y371-Y423 HydrophobicContact CD1-CD1 4.07Å; Y371-I426 HydrophobicContact CD1-CB 4.14Å; Y371-I426 HydrophobicContact CD1-CG2 3.53Å; Y371-I426 HydrophobicContact CE1-CB 4.44Å; Y371-I426 HydrophobicContact CE1-CG2 3.98Å; Y371-I426 HydrophobicContact CG-CG2 4.41Å; Y371-T427 WeakPolarHBondContact CE1-OG1 3.28Å; Y371-T427 PolarHBondContact OH-OG1 3.23Å
372	E	98.9	Very high	98.5	Very high	47 Å²	47	51.7 Å²	51.7	22%	0.22	26%	0.256	C	S	.	.	H	α-helix	trans	-61.7	-33.8	178.9	-67.4	-155.4	103.3	0	0	112.4	G368 L375 S376 I426 K429 W430	G368-E372 PolarHBondContact O-N 3.43Å; E372-L375 PolarHBondContact O-N 2.74Å; E372-S376 WeakPolarHBondContact O-CB 3.45Å; E372-S376 PolarHBondContact O-N 3.37Å; E372-I426 HydrophobicContact CG-CG2 3.77Å; E372-K429 IonicContact OE1-NZ 2.7Å; E372-K429 PolarHBondContact OE1-NZ 3.27Å; E372-W430 HydrophobicContact CB-CZ2 4.23Å; E372-W430 WeakPolarHBondContact O-CZ2 3.38Å; E372-W430 PolarHBondContact OE1-NE1 3.43Å; E372-W430 VanDerWaalsContact OE1-NE1 3.1Å
373	T	98.8	Very high	98.5	Very high	64 Å²	64	50.2 Å²	50.2	39%	0.393	25%	0.247	S	C	.	.	H	α-helix	trans	-65.7	-43.1	175.1	-56	0	0	0	0	110.8	K369 Y370 Y371 S376 A377	K369-T373 WeakPolarHBondContact O-CB 3.35Å; K369-T373 PolarHBondContact O-N 3.11Å; K369-T373 PolarHBondContact O-OG1 3.13Å; Y370-T373 PolarHBondContact O-N 3.44Å; Y371-T373 PolarHBondContact O-N 3.34Å; T373-S376 PolarHBondContact O-N 2.95Å; T373-A377 PolarHBondContact O-N 3.31Å; T373-A377 VanDerWaalsContact O-N 3.08Å
374	S	98.5	Very high	98.4	Very high	3 Å²	3	49 Å²	49	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-63.9	-44	175.8	-157.4	0	0	0	0	112.2	Q324 V345 Y370 Y371 S376 A377 A378	Q324-S374 VanDerWaalsContact NE2-CA 3.35Å; Q324-S374 VanDerWaalsContact NE2-CB 3.31Å; Q324-S374 PolarHBondContact NE2-OG 3.26Å; V345-S374 WeakPolarHBondContact CG1-O 3.18Å; Y370-S374 PolarHBondContact O-N 2.9Å; Y370-S374 VanDerWaalsContact O-N 3.1Å; Y371-S374 WeakPolarHBondContact O-CB 3.29Å; Y371-S374 PolarHBondContact O-N 3.32Å; Y371-S374 VanDerWaalsContact O-N 3.09Å; S374-S376 PolarHBondContact O-N 3.29Å; S374-A377 PolarHBondContact O-N 3.1Å; S374-A378 PolarHBondContact O-N 2.84Å
375	L	98.9	Very high	98.4	Very high	5 Å²	5	43.5 Å²	43.5	3%	0.026	22%	0.217	C	C	.	.	H	α-helix	trans	-63.6	-39.6	176.8	-75	157.7	0	0	0	112.5	V345 Y371 E372 A378 L379 I426 W430	V345-L375 HydrophobicContact CB-CD2 4.48Å; V345-L375 HydrophobicContact CG2-CD2 3.72Å; V345-L375 HydrophobicContact CG2-CG 4.21Å; Y371-L375 HydrophobicContact CD1-CD1 3.86Å; Y371-L375 HydrophobicContact CD2-CD1 3.84Å; Y371-L375 HydrophobicContact CD2-CG 4.19Å; Y371-L375 HydrophobicContact CE1-CD1 3.75Å; Y371-L375 HydrophobicContact CE2-CD1 3.76Å; Y371-L375 HydrophobicContact CE2-CD2 4.43Å; Y371-L375 HydrophobicContact CE2-CG 4.01Å; Y371-L375 HydrophobicContact CG-CD1 3.89Å; Y371-L375 PolarHBondContact O-N 3.15Å; E372-L375 PolarHBondContact O-N 2.74Å; L375-A378 PolarHBondContact O-N 2.92Å; L375-L379 WeakPolarHBondContact O-CB 3.41Å; L375-L379 PolarHBondContact O-N 2.96Å; L375-I426 HydrophobicContact CD1-CG2 4Å; L375-W430 HydrophobicContact CB-CB 4.34Å; L375-W430 HydrophobicContact CB-CD2 3.5Å; L375-W430 VanDerWaalsContact CB-CD2 3.5Å; L375-W430 HydrophobicContact CB-CE3 3.72Å; L375-W430 HydrophobicContact CB-CG 3.79Å; L375-W430 HydrophobicContact CB-CZ2 4.32Å; L375-W430 HydrophobicContact CB-CZ3 4.23Å; L375-W430 HydrophobicContact CD1-CB 3.91Å; L375-W430 HydrophobicContact CD1-CD2 4.21Å; L375-W430 HydrophobicContact CD1-CG 3.61Å; L375-W430 HydrophobicContact CD2-CB 3.96Å; L375-W430 HydrophobicContact CD2-CG 4.3Å; L375-W430 HydrophobicContact CG-CB 4.31Å; L375-W430 HydrophobicContact CG-CD2 4.34Å; L375-W430 HydrophobicContact CG-CG 4.11Å
376	S	98.8	Very high	98.5	Very high	39 Å²	39	43.3 Å²	43.3	27%	0.273	22%	0.216	S	C	.	.	H	α-helix	trans	-60.9	-50.1	173.7	-162.7	0	0	0	0	111.6	E372 T373 S374 A378 L379 E380	E372-S376 WeakPolarHBondContact O-CB 3.45Å; E372-S376 PolarHBondContact O-N 3.37Å; T373-S376 PolarHBondContact O-N 2.95Å; S374-S376 PolarHBondContact O-N 3.29Å; S376-A378 VanDerWaalsContact C-N 3.27Å; S376-A378 PolarHBondContact O-N 3.37Å; S376-L379 WeakPolarHBondContact O-CB 3.46Å; S376-L379 PolarHBondContact O-N 3.07Å; S376-L379 VanDerWaalsContact O-N 3.16Å; S376-E380 WeakPolarHBondContact O-CG 3.38Å; S376-E380 PolarHBondContact O-N 3.2Å; S376-E380 PolarHBondContact OG-OE1 3.13Å
377	A	98.7	Very high	98.5	Very high	19 Å²	19	37.9 Å²	37.9	16%	0.157	19%	0.188	C	C	.	.	H	α-helix	trans	-61.2	-37.3	179.3	0	0	0	0	0	112	Q324 W327 T373 S374 S381	Q324-A377 HydrophobicContact CB-CB 4.01Å; Q324-A377 HydrophobicContact CG-CB 4.2Å; W327-A377 HydrophobicContact CE3-CB 4.05Å; W327-A377 HydrophobicContact CZ3-CB 3.96Å; T373-A377 PolarHBondContact O-N 3.31Å; T373-A377 VanDerWaalsContact O-N 3.08Å; S374-A377 PolarHBondContact O-N 3.1Å; A377-S381 PolarHBondContact O-N 2.7Å
378	A	98.7	Very high	98.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.7	-49.9	175	0	0	0	0	0	110	W327 P343 V345 S374 L375 S376 E380 S381 P383 I386	W327-A378 HydrophobicContact CE3-CB 4.23Å; W327-A378 HydrophobicContact CH2-CB 4.45Å; W327-A378 HydrophobicContact CZ3-CB 3.68Å; P343-A378 HydrophobicContact CB-CB 4.27Å; P343-A378 HydrophobicContact CG-CB 3.96Å; V345-A378 HydrophobicContact CG1-CB 3.66Å; S374-A378 PolarHBondContact O-N 2.84Å; L375-A378 PolarHBondContact O-N 2.92Å; S376-A378 VanDerWaalsContact C-N 3.27Å; S376-A378 PolarHBondContact O-N 3.37Å; A378-E380 VanDerWaalsContact C-N 3.34Å; A378-E380 PolarHBondContact O-N 3.15Å; A378-S381 PolarHBondContact O-N 3.29Å; A378-S381 VanDerWaalsContact O-N 3.12Å; A378-S381 PolarHBondContact O-OG 3.46Å; A378-P383 WeakPolarHBondContact O-CD 3.34Å; A378-I386 HydrophobicContact CB-CD1 4.13Å; A378-I386 HydrophobicContact CB-CG1 4.4Å
379	L	98.4	Very high	98.5	Very high	24 Å²	24	32.9 Å²	32.9	13%	0.126	16%	0.161	C	C	.	.	H	α-helix	trans	-58.6	-42.9	179.1	-174.3	68.7	0	0	0	112.9	L375 S376 S381 R382 W430 I433 F434 E437 W441	L375-L379 WeakPolarHBondContact O-CB 3.41Å; L375-L379 PolarHBondContact O-N 2.96Å; S376-L379 WeakPolarHBondContact O-CB 3.46Å; S376-L379 PolarHBondContact O-N 3.07Å; S376-L379 VanDerWaalsContact O-N 3.16Å; L379-S381 PolarHBondContact O-N 3.02Å; L379-R382 PolarHBondContact O-N 2.64Å; L379-W430 HydrophobicContact CB-CZ3 4.31Å; L379-W430 HydrophobicContact CD2-CE3 4.45Å; L379-W430 HydrophobicContact CD2-CZ3 3.89Å; L379-I433 HydrophobicContact CD2-CG2 3.49Å; L379-I433 VanDerWaalsContact CD2-CG2 3.49Å; L379-F434 HydrophobicContact CD1-CB 4.17Å; L379-F434 HydrophobicContact CD1-CD2 3.76Å; L379-F434 HydrophobicContact CD1-CG 4.45Å; L379-E437 HydrophobicContact CD1-CB 4.01Å; L379-E437 HydrophobicContact CD1-CG 4.05Å; L379-E437 HydrophobicContact CD2-CG 4.22Å; L379-E437 HydrophobicContact CG-CG 4.46Å; L379-W441 HydrophobicContact CD1-CH2 4.05Å; L379-W441 HydrophobicContact CD1-CZ2 4.18Å
380	E	98.2	Very high	98.6	Very high	144 Å²	144	26.9 Å²	26.9	67%	0.673	14%	0.135	S	C	*	.	H	α-helix	trans	-60.5	-29.2	178.3	-75	165.4	-149.8	0	0	112.6	S376 A378 R382	S376-E380 WeakPolarHBondContact O-CG 3.38Å; S376-E380 PolarHBondContact O-N 3.2Å; S376-E380 PolarHBondContact OG-OE1 3.13Å; A378-E380 VanDerWaalsContact C-N 3.34Å; A378-E380 PolarHBondContact O-N 3.15Å; E380-R382 PolarHBondContact O-N 3.31Å
381	S	97.9	Very high	98.6	Very high	11 Å²	11	25.5 Å²	25.5	8%	0.077	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	-1.6	174.7	75.1	0	0	0	0	114.2	K331 A377 A378 L379	K331-S381 VanDerWaalsContact CG-O 3.27Å; K331-S381 WeakPolarHBondContact CG-O 3.27Å; A377-S381 PolarHBondContact O-N 2.7Å; A378-S381 PolarHBondContact O-N 3.29Å; A378-S381 VanDerWaalsContact O-N 3.12Å; A378-S381 PolarHBondContact O-OG 3.46Å; L379-S381 PolarHBondContact O-N 3.02Å
382	R	97.8	Very high	98.6	Very high	129 Å²	129	25.5 Å²	25.5	49%	0.487	13%	0.13	S	C	.	.			trans	48.8	53.3	-179.2	-56.3	-178.6	70.4	-176	-0.7	114.8	K331 L379 E380 W441	K331-R382 WeakPolarHBondContact CE-O 3.46Å; L379-R382 PolarHBondContact O-N 2.64Å; E380-R382 PolarHBondContact O-N 3.31Å; R382-W441 VanDerWaalsContact CA-CH2 3.43Å; R382-W441 HydrophobicContact CB-CD2 4.3Å; R382-W441 HydrophobicContact CB-CE3 4.19Å; R382-W441 HydrophobicContact CB-CH2 3.96Å; R382-W441 HydrophobicContact CB-CZ2 4.02Å; R382-W441 HydrophobicContact CB-CZ3 4.02Å; R382-W441 HydrophobicContact CG-CD2 4.38Å; R382-W441 HydrophobicContact CG-CH2 4.2Å; R382-W441 HydrophobicContact CG-CZ2 3.75Å; R382-W441 VanDerWaalsContact NH2-CB 3.34Å
383	P	98.1	Very high	98.6	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.013	12%	0.121	C	C	.	.			trans	-77.5	161.8	-170.4	35.3	-38.1	0	0	0	112.1	F341 P343 A378 F385 I386 F434	F341-P383 HydrophobicContact CD1-CB 4.06Å; P343-P383 HydrophobicContact CG-CB 3.68Å; P343-P383 HydrophobicContact CG-CG 3.84Å; A378-P383 WeakPolarHBondContact O-CD 3.34Å; P383-F385 WeakPolarHBondContact CB-O 3.4Å; P383-I386 HydrophobicContact CG-CD1 4.36Å; P383-I386 HydrophobicContact CG-CG1 3.79Å; P383-F434 HydrophobicContact CG-CE2 4.16Å
384	D	97.1	Very high	98.6	Very high	45 Å²	45	20.5 Å²	20.5	24%	0.241	10%	0.102	C	C	.	.	S	Bend	trans	-69.1	-39.9	175.6	-58.9	-79.3	0	0	0	111.8	I340 F341	I340-D384 HydrophobicContact CG2-CB 3.86Å; F341-D384 PolarHBondContact N-OD2 3.5Å; F341-D384 PolarHBondContact O-N 3.02Å
385	F	98.6	Very high	98.6	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.102	C	C	.	.			trans	-138.7	160.7	178.4	-61.7	-93.3	0	0	0	109.9	Y91 H93 F241 Y243 I340 I342 P343 P383	Y91-F385 AromaticContact CD1-CD1 3.98Å; Y91-F385 HydrophobicContact CD1-CD1 3.98Å; Y91-F385 AromaticContact CD1-CE1 3.69Å; Y91-F385 HydrophobicContact CD1-CE1 3.69Å; Y91-F385 HydrophobicContact CD1-CZ 4.3Å; Y91-F385 HydrophobicContact CE1-CE1 4.29Å; Y91-F385 WeakPolarHBondContact O-CA 3.46Å; H93-F385 AromaticContact CE1-CD1 3.62Å; H93-F385 AromaticContact CE1-CE1 3.88Å; H93-F385 AromaticContact NE2-CD1 3.31Å; H93-F385 VanDerWaalsContact NE2-CD1 3.31Å; H93-F385 WeakPolarHBondContact NE2-CD1 3.34Å; H93-F385 AromaticContact NE2-CE1 3.57Å; F241-F385 HydrophobicContact CZ-CE1 4.32Å; Y243-F385 HydrophobicContact CD1-CE2 4.39Å; Y243-F385 HydrophobicContact CD1-CZ 4.01Å; Y243-F385 HydrophobicContact CD2-CE1 4.23Å; Y243-F385 AromaticContact CD2-CZ 3.57Å; Y243-F385 HydrophobicContact CD2-CZ 3.57Å; Y243-F385 HydrophobicContact CE1-CE2 4.11Å; Y243-F385 AromaticContact CE1-CZ 3.95Å; Y243-F385 HydrophobicContact CE1-CZ 3.95Å; Y243-F385 HydrophobicContact CE2-CE1 4.29Å; Y243-F385 HydrophobicContact CE2-CE2 4.37Å; Y243-F385 AromaticContact CE2-CZ 3.53Å; Y243-F385 HydrophobicContact CE2-CZ 3.53Å; Y243-F385 AromaticContact CG-CZ 3.81Å; Y243-F385 HydrophobicContact CG-CZ 3.81Å; Y243-F385 AromaticContact CZ-CZ 3.7Å; I340-F385 HydrophobicContact CG2-CD2 3.73Å; I340-F385 HydrophobicContact CG2-CE2 3.95Å; I342-F385 HydrophobicContact CB-CB 4.36Å; I342-F385 HydrophobicContact CD1-CB 4.01Å; I342-F385 HydrophobicContact CD1-CD2 3.87Å; I342-F385 HydrophobicContact CD1-CG 4.13Å; I342-F385 HydrophobicContact CG1-CB 3.95Å; I342-F385 HydrophobicContact CG1-CD2 4.1Å; I342-F385 HydrophobicContact CG1-CG 4.42Å; I342-F385 HydrophobicContact CG2-CB 3.82Å; P343-F385 WeakPolarHBondContact CD-O 3.34Å; P383-F385 WeakPolarHBondContact CB-O 3.4Å
386	I	98.9	Very high	98.6	Very high	4 Å²	4	21.4 Å²	21.4	2%	0.021	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	134.8	164.2	-65	176.6	0	0	0	107.8	Y91 L92 H93 V345 A378 P383 F434	Y91-I386 PolarHBondContact O-N 3.1Å; L92-I386 WeakPolarHBondContact CA-O 3.41Å; L92-I386 HydrophobicContact CD1-CB 3.76Å; L92-I386 HydrophobicContact CD1-CG2 3.76Å; H93-I386 PolarHBondContact N-O 2.98Å; V345-I386 HydrophobicContact CG1-CG2 4.46Å; V345-I386 HydrophobicContact CG2-CG2 3.8Å; A378-I386 HydrophobicContact CB-CD1 4.13Å; A378-I386 HydrophobicContact CB-CG1 4.4Å; P383-I386 HydrophobicContact CG-CD1 4.36Å; P383-I386 HydrophobicContact CG-CG1 3.79Å; I386-F434 HydrophobicContact CB-CE1 4.48Å; I386-F434 HydrophobicContact CD1-CB 4.3Å; I386-F434 HydrophobicContact CD1-CD1 4.03Å; I386-F434 HydrophobicContact CD1-CD2 3.81Å; I386-F434 HydrophobicContact CD1-CE1 4.29Å; I386-F434 HydrophobicContact CD1-CE2 4.09Å; I386-F434 HydrophobicContact CD1-CG 3.78Å; I386-F434 HydrophobicContact CD1-CZ 4.32Å; I386-F434 HydrophobicContact CG1-CD1 4.33Å; I386-F434 HydrophobicContact CG1-CD2 4.42Å; I386-F434 HydrophobicContact CG1-CE1 4.11Å; I386-F434 HydrophobicContact CG1-CE2 4.21Å; I386-F434 HydrophobicContact CG1-CG 4.48Å; I386-F434 HydrophobicContact CG1-CZ 4.06Å
387	S	98.9	Very high	98.6	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	140.8	170.7	56.3	0	0	0	0	110.7	H93 P343 S344 V345	H93-S387 CarbonylContact O-C 3.5Å; H93-S387 VanDerWaalsContact O-CA 3.3Å; H93-S387 WeakPolarHBondContact O-CA 3.18Å; P343-S387 PolarHBondContact O-N 2.99Å; P343-S387 PolarHBondContact O-OG 2.92Å; P343-S387 VanDerWaalsContact O-OG 3.06Å; S344-S387 CarbonylContact C-O 3.56Å; S344-S387 VanDerWaalsContact CA-O 3.28Å; S344-S387 WeakPolarHBondContact CA-O 3.49Å; S344-S387 VanDerWaalsContact CA-OG 3.26Å; S344-S387 WeakPolarHBondContact CA-OG 3.34Å; S344-S387 WeakPolarHBondContact CB-OG 3.4Å; S344-S387 PolarHBondContact OG-OG 3.01Å; V345-S387 WeakPolarHBondContact CG2-O 3.35Å; V345-S387 PolarHBondContact N-O 3.48Å
388	I	99	Very high	98.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	122.2	177.6	-57.4	167.4	0	0	0	108.4	L92 H93 A94 F95 I170 V345 Y371 S390 I400 T427	L92-I388 HydrophobicContact CD1-CD1 3.89Å; L92-I388 HydrophobicContact CD1-CG1 3.99Å; L92-I388 HydrophobicContact CD2-CD1 4.05Å; L92-I388 HydrophobicContact CG-CD1 3.92Å; L92-I388 HydrophobicContact CG-CG1 4.48Å; H93-I388 PolarHBondContact O-N 3.1Å; A94-I388 WeakPolarHBondContact CA-O 3.32Å; A94-I388 HydrophobicContact CB-CB 4.15Å; F95-I388 WeakPolarHBondContact CD2-O 3.28Å; F95-I388 PolarHBondContact N-O 3.18Å; I170-I388 HydrophobicContact CD1-CD1 3.77Å; I170-I388 HydrophobicContact CG1-CD1 3.93Å; V345-I388 HydrophobicContact CG2-CG1 4.22Å; V345-I388 CarbonylContact O-C 3.47Å; V345-I388 WeakPolarHBondContact O-CA 3.49Å; Y371-I388 WeakPolarHBondContact OH-CG2 3.06Å; I388-S390 WeakPolarHBondContact O-CA 3.38Å; I388-I400 HydrophobicContact CD1-CD1 4.47Å; I388-I400 HydrophobicContact CG2-CD1 4.33Å; I388-I400 HydrophobicContact CG2-CG2 4.11Å; I388-T427 HydrophobicContact CD1-CG2 3.39Å
389	T	98.9	Very high	98.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.085	C	C	.	.	S	Bend	trans	-105.8	94.4	170.3	-52.7	0	0	0	0	107.5	F95 Y312 A314 V345 G346 P347 T398	F95-T389 VanDerWaalsContact CD2-OG1 3.28Å; F95-T389 WeakPolarHBondContact CD2-OG1 3.25Å; F95-T389 WeakPolarHBondContact CE2-OG1 3.4Å; Y312-T389 HydrophobicContact CD2-CG2 4.5Å; Y312-T389 HydrophobicContact CE2-CG2 4.37Å; Y312-T389 WeakPolarHBondContact O-CB 3.4Å; Y312-T389 VanDerWaalsContact O-CG2 3.31Å; Y312-T389 WeakPolarHBondContact O-CG2 3.45Å; Y312-T389 PolarHBondContact O-OG1 3.32Å; A314-T389 HydrophobicContact CB-CG2 4.36Å; V345-T389 PolarHBondContact O-N 3.16Å; G346-T389 WeakPolarHBondContact CA-O 3.44Å; P347-T389 WeakPolarHBondContact CD-O 3.44Å; T389-T398 CarbonylContact C-O 3.55Å; T389-T398 WeakPolarHBondContact O-CB 3.42Å
390	S	98.9	Very high	98.6	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.079	C	C	.	.			cis	-148.6	173.7	7.5	60.7	0	0	0	0	111	I388 E393 T398 Q399 I400	I388-S390 WeakPolarHBondContact O-CA 3.38Å; S390-E393 WeakPolarHBondContact OG-CA 3.37Å; S390-E393 WeakPolarHBondContact OG-CB 3.43Å; S390-E393 PolarHBondContact OG-N 3.08Å; S390-T398 PolarHBondContact N-O 3.46Å; S390-T398 PolarHBondContact OG-OG1 2.78Å; S390-Q399 CarbonylContact O-C 3.58Å; S390-Q399 WeakPolarHBondContact O-CA 3.37Å; S390-I400 WeakPolarHBondContact O-CG1 3.42Å; S390-I400 PolarHBondContact O-N 2.62Å
391	F	98.9	Very high	98.6	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.047	C	C	.	.	S	Bend	trans	-64.6	-59.4	164.1	-179.1	-103.8	0	0	0	110.3	A94 F95 Y96 H161 Q164 L165 Q399 I400 E401	A94-F391 HydrophobicContact CB-CB 4.36Å; F95-F391 WeakPolarHBondContact O-CB 3.26Å; F95-F391 PolarHBondContact O-N 3.28Å; Y96-F391 HydrophobicContact CD2-CB 4.02Å; Y96-F391 AromaticContact CD2-CD1 3.28Å; Y96-F391 HydrophobicContact CD2-CD1 3.28Å; Y96-F391 HydrophobicContact CD2-CE1 4.01Å; Y96-F391 AromaticContact CD2-CG 3.85Å; Y96-F391 HydrophobicContact CD2-CG 3.85Å; Y96-F391 AromaticContact CE2-CD1 3.37Å; Y96-F391 HydrophobicContact CE2-CD1 3.37Å; Y96-F391 AromaticContact CE2-CE1 3.6Å; Y96-F391 HydrophobicContact CE2-CE1 3.6Å; Y96-F391 HydrophobicContact CE2-CG 4.29Å; H161-F391 HydrophobicContact CB-CE1 3.85Å; H161-F391 HydrophobicContact CB-CZ 3.86Å; H161-F391 AromaticContact CD2-CE1 3.77Å; H161-F391 AromaticContact CD2-CZ 3.92Å; H161-F391 AromaticContact CG-CE1 3.51Å; H161-F391 AromaticContact CG-CZ 3.84Å; H161-F391 AromaticContact ND1-CE1 3.7Å; Q164-F391 HydrophobicContact CB-CE2 3.96Å; Q164-F391 HydrophobicContact CB-CZ 4.14Å; L165-F391 HydrophobicContact CD2-CB 4.47Å; L165-F391 HydrophobicContact CD2-CD2 3.5Å; L165-F391 VanDerWaalsContact CD2-CD2 3.5Å; L165-F391 HydrophobicContact CD2-CE2 3.96Å; L165-F391 HydrophobicContact CD2-CG 4.06Å; L165-F391 HydrophobicContact CG-CD2 3.87Å; L165-F391 HydrophobicContact CG-CE2 3.79Å; L165-F391 HydrophobicContact CG-CZ 4.4Å; F391-Q399 WeakPolarHBondContact O-CA 3.42Å; F391-Q399 VanDerWaalsContact O-CB 3.29Å; F391-Q399 WeakPolarHBondContact O-CB 3.15Å; F391-I400 HydrophobicContact CD2-CG1 4.25Å; F391-I400 PolarHBondContact O-N 3Å; F391-E401 HydrophobicContact CE1-CB 4.3Å; F391-E401 HydrophobicContact CE1-CG 4.09Å; F391-E401 HydrophobicContact CE2-CB 4.41Å; F391-E401 HydrophobicContact CZ-CB 4.16Å; F391-E401 HydrophobicContact CZ-CG 3.88Å; F391-E401 WeakPolarHBondContact O-CB 3.32Å; F391-E401 PolarHBondContact O-N 3.12Å
392	N	98.9	Very high	98.7	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.046	C	C	.	.	S	Bend	trans	-142	33.6	-168.1	67.7	-25.4	0	0	0	115.3	Y97 Y100 Y150 W394 E401	Y97-N392 PolarHBondContact N-OD1 2.85Å; Y97-N392 PolarHBondContact O-ND2 3.36Å; Y100-N392 WeakPolarHBondContact CE2-O 3.38Å; Y100-N392 PolarHBondContact OH-O 3.34Å; Y150-N392 PolarHBondContact OH-ND2 3.32Å; N392-W394 VanDerWaalsContact C-N 3.25Å; N392-W394 PolarHBondContact O-N 3.27Å; N392-E401 HydrophobicContact CB-CB 4.43Å; N392-E401 WeakPolarHBondContact CB-OE2 3.13Å
393	E	98.8	Very high	98.7	Very high	6 Å²	6	4.5 Å²	4.5	3%	0.028	2%	0.023	C	C	.	.			trans	-77.3	79.8	170.1	-172.6	48.3	-128.7	0	0	110.4	Y97 W99 S390 H395 E396 G397 T398	Y97-E393 WeakPolarHBondContact CD1-OE2 3.48Å; Y97-E393 HydrophobicContact CD2-CB 3.93Å; Y97-E393 WeakPolarHBondContact CD2-OE2 3.46Å; Y97-E393 WeakPolarHBondContact CE1-OE2 3.45Å; Y97-E393 HydrophobicContact CE2-CB 3.58Å; Y97-E393 HydrophobicContact CE2-CG 4.22Å; Y97-E393 WeakPolarHBondContact CE2-OE2 3.48Å; Y97-E393 VanDerWaalsContact CZ-OE2 3.27Å; W99-E393 WeakPolarHBondContact CH2-OE2 3.43Å; W99-E393 VanDerWaalsContact CZ2-CD 3.49Å; W99-E393 WeakPolarHBondContact CZ2-OE1 3.31Å; W99-E393 WeakPolarHBondContact CZ2-OE2 3.43Å; S390-E393 WeakPolarHBondContact OG-CA 3.37Å; S390-E393 WeakPolarHBondContact OG-CB 3.43Å; S390-E393 PolarHBondContact OG-N 3.08Å; E393-H395 VanDerWaalsContact C-N 3.32Å; E393-H395 PolarHBondContact O-N 3.44Å; E393-H395 WeakPolarHBondContact OE1-CB 3.26Å; E393-H395 IonicContact OE1-CD2 3.53Å; E393-H395 PolarHBondContact OE1-CD2 3.14Å; E393-H395 VanDerWaalsContact OE1-CD2 3.25Å; E393-H395 IonicContact OE1-CG 3.46Å; E393-E396 HydrophobicContact CG-CB 3.97Å; E393-E396 HydrophobicContact CG-CG 3.89Å; E393-E396 PolarHBondContact O-N 3.27Å; E393-G397 PolarHBondContact O-N 3.19Å; E393-T398 WeakPolarHBondContact CB-OG1 3.31Å; E393-T398 PolarHBondContact O-N 2.83Å
394	W	98.9	Very high	98.7	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.037	C	C	.	.	G	3₁₀ helix	trans	-67.4	-31.4	-173.2	-73.3	97.8	0	0	0	113.1	Y100 W112 A141 P145 Y150 N392 E396 G397 Q399 E401 A403	Y100-W394 HydrophobicContact CE1-CB 4.5Å; Y100-W394 AromaticContact CE2-CD1 3.98Å; Y100-W394 AromaticContact CZ-CD1 3.75Å; Y100-W394 PolarHBondContact OH-N 2.75Å; Y100-W394 VanDerWaalsContact OH-N 3.12Å; W112-W394 HydrophobicContact CH2-CB 4.31Å; W112-W394 AromaticContact CH2-CD1 3.59Å; W112-W394 HydrophobicContact CH2-CD2 4.45Å; W112-W394 AromaticContact CH2-CG 3.86Å; W112-W394 HydrophobicContact CH2-CG 3.86Å; W112-W394 HydrophobicContact CZ3-CB 3.95Å; W112-W394 AromaticContact CZ3-CG 3.95Å; W112-W394 HydrophobicContact CZ3-CG 3.95Å; A141-W394 HydrophobicContact CB-CB 3.95Å; A141-W394 WeakPolarHBondContact CB-O 3.45Å; P145-W394 HydrophobicContact CB-CH2 3.83Å; P145-W394 HydrophobicContact CB-CZ2 3.5Å; P145-W394 HydrophobicContact CB-CZ3 4.41Å; P145-W394 HydrophobicContact CG-CD2 3.81Å; P145-W394 HydrophobicContact CG-CE3 4.04Å; P145-W394 HydrophobicContact CG-CG 4.43Å; P145-W394 HydrophobicContact CG-CH2 4Å; P145-W394 HydrophobicContact CG-CZ2 3.7Å; P145-W394 HydrophobicContact CG-CZ3 4.12Å; Y150-W394 AromaticContact CE1-NE1 3.99Å; Y150-W394 PolarHBondContact OH-NE1 2.97Å; N392-W394 VanDerWaalsContact C-N 3.25Å; N392-W394 PolarHBondContact O-N 3.27Å; W394-E396 PolarHBondContact O-N 2.88Å; W394-G397 PolarHBondContact O-N 3.45Å; W394-Q399 HydrophobicContact CD2-CB 4.33Å; W394-Q399 HydrophobicContact CD2-CG 3.75Å; W394-Q399 HydrophobicContact CE3-CG 3.63Å; W394-Q399 HydrophobicContact CH2-CG 3.62Å; W394-Q399 HydrophobicContact CZ2-CG 3.77Å; W394-Q399 HydrophobicContact CZ3-CG 3.57Å; W394-Q399 VanDerWaalsContact CZ3-NE2 3.26Å; W394-E401 HydrophobicContact CZ2-CB 3.79Å; W394-E401 HydrophobicContact CZ2-CG 3.98Å; W394-E401 WeakPolarHBondContact CZ2-OE2 3.34Å; W394-E401 PolarHBondContact NE1-OE2 3.33Å; W394-A403 HydrophobicContact CH2-CB 3.81Å; W394-A403 HydrophobicContact CZ3-CB 3.93Å
395	H	98.7	Very high	98.7	Very high	5 Å²	5	8.3 Å²	8.3	2%	0.023	5%	0.047	C	C	.	.	G	3₁₀ helix	trans	-64.9	-29.6	-178.5	-52.4	-47	0	0	0	112.2	W99 Y100 H111 G140 D351 V354 E393	W99-H395 AromaticContact CZ2-CD2 3.59Å; W99-H395 AromaticContact CZ2-NE2 3.95Å; W99-H395 AromaticContact NE1-NE2 3.85Å; Y100-H395 AromaticContact CE1-CE1 3.81Å; Y100-H395 AromaticContact CE1-NE2 3.68Å; H111-H395 AromaticContact CG-NE2 3.68Å; H111-H395 AromaticContact ND1-CD2 3.88Å; H111-H395 AromaticContact ND1-NE2 3.12Å; H111-H395 PolarHBondContact ND1-NE2 3.06Å; H111-H395 VanDerWaalsContact ND1-NE2 3.12Å; H111-H395 PolarHBondContact O-CE1 2.95Å; G140-H395 PolarHBondContact O-ND1 3.42Å; D351-H395 VanDerWaalsContact CA-O 3.25Å; D351-H395 WeakPolarHBondContact CA-O 3.17Å; D351-H395 WeakPolarHBondContact CB-O 3.49Å; V354-H395 HydrophobicContact CG1-CB 4.49Å; V354-H395 HydrophobicContact CG2-CB 4.09Å; E393-H395 VanDerWaalsContact C-N 3.32Å; E393-H395 PolarHBondContact O-N 3.44Å; E393-H395 WeakPolarHBondContact OE1-CB 3.26Å; E393-H395 IonicContact OE1-CD2 3.53Å; E393-H395 PolarHBondContact OE1-CD2 3.14Å; E393-H395 VanDerWaalsContact OE1-CD2 3.25Å; E393-H395 IonicContact OE1-CG 3.46Å
396	E	98.7	Very high	98.6	Very high	21 Å²	21	10.5 Å²	10.5	10%	0.098	6%	0.057	C	C	.	.	G	3₁₀ helix	trans	-101.9	1.7	-178.5	-55.9	-156.7	143.2	0	0	113.8	Y349 I350 D351 R355 E393 W394 T398	Y349-E396 HydrophobicContact CD2-CB 4.19Å; Y349-E396 HydrophobicContact CE2-CB 3.69Å; Y349-E396 HydrophobicContact CE2-CG 4.21Å; I350-E396 CarbonylContact C-O 3.44Å; I350-E396 PolarHBondContact N-O 2.85Å; I350-E396 CarbonylContact O-C 3.51Å; I350-E396 VanDerWaalsContact O-O 3.11Å; D351-E396 HydrophobicContact CB-CB 4.49Å; D351-E396 HydrophobicContact CB-CG 4.46Å; R355-E396 IonicContact CZ-OE1 3.06Å; R355-E396 IonicContact NH1-OE1 3.39Å; R355-E396 PolarHBondContact NH1-OE1 2.95Å; R355-E396 IonicContact NH2-OE1 2.74Å; R355-E396 PolarHBondContact NH2-OE1 2.88Å; E393-E396 HydrophobicContact CG-CB 3.97Å; E393-E396 HydrophobicContact CG-CG 3.89Å; E393-E396 PolarHBondContact O-N 3.27Å; W394-E396 PolarHBondContact O-N 2.88Å; E396-T398 HydrophobicContact CB-CG2 3.91Å; E396-T398 WeakPolarHBondContact O-CG2 3.16Å; E396-T398 PolarHBondContact O-N 3.02Å
397	G	98.8	Very high	98.1	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	25.5	178.4	0	0	0	0	0	113	I350 R365 E393 W394	I350-G397 WeakPolarHBondContact O-CA 3.1Å; I350-G397 PolarHBondContact O-N 3.1Å; R365-G397 PolarHBondContact NH2-O 3.31Å; E393-G397 PolarHBondContact O-N 3.19Å; W394-G397 PolarHBondContact O-N 3.45Å
398	T	98.9	Very high	96.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.107	C	C	.	.			trans	-99.2	-3.4	-177.3	67.4	0	0	0	0	113.3	A314 P347 Y349 T389 S390 E393 E396	A314-T398 HydrophobicContact CB-CG2 3.56Å; P347-T398 WeakPolarHBondContact CD-O 3.35Å; P347-T398 WeakPolarHBondContact CG-O 3.32Å; Y349-T398 HydrophobicContact CD2-CG2 3.64Å; Y349-T398 HydrophobicContact CE2-CG2 4.35Å; T389-T398 CarbonylContact C-O 3.55Å; T389-T398 WeakPolarHBondContact O-CB 3.42Å; S390-T398 PolarHBondContact N-O 3.46Å; S390-T398 PolarHBondContact OG-OG1 2.78Å; E393-T398 WeakPolarHBondContact CB-OG1 3.31Å; E393-T398 PolarHBondContact O-N 2.83Å; E396-T398 HydrophobicContact CB-CG2 3.91Å; E396-T398 WeakPolarHBondContact O-CG2 3.16Å; E396-T398 PolarHBondContact O-N 3.02Å
399	Q	98.9	Very high	95.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.149	C	C	.	.			trans	-62.1	138.5	-176.2	79	-66.9	-9.1	0	0	113.3	Y143 R365 S390 F391 W394 E401 Y415	Y143-Q399 VanDerWaalsContact CB-NE2 3.26Å; Y143-Q399 VanDerWaalsContact CG-NE2 3.28Å; R365-Q399 VanDerWaalsContact CZ-O 3.29Å; R365-Q399 PolarHBondContact NH1-O 3.32Å; R365-Q399 VanDerWaalsContact NH2-NE2 3.18Å; R365-Q399 PolarHBondContact NH2-O 3.21Å; R365-Q399 VanDerWaalsContact NH2-OE1 3.15Å; S390-Q399 CarbonylContact O-C 3.58Å; S390-Q399 WeakPolarHBondContact O-CA 3.37Å; F391-Q399 WeakPolarHBondContact O-CA 3.42Å; F391-Q399 VanDerWaalsContact O-CB 3.29Å; F391-Q399 WeakPolarHBondContact O-CB 3.15Å; W394-Q399 HydrophobicContact CD2-CB 4.33Å; W394-Q399 HydrophobicContact CD2-CG 3.75Å; W394-Q399 HydrophobicContact CE3-CG 3.63Å; W394-Q399 HydrophobicContact CH2-CG 3.62Å; W394-Q399 HydrophobicContact CZ2-CG 3.77Å; W394-Q399 HydrophobicContact CZ3-CG 3.57Å; W394-Q399 VanDerWaalsContact CZ3-NE2 3.26Å; Q399-E401 HydrophobicContact CB-CB 4.45Å; Q399-Y415 PolarHBondContact NE2-OH 2.94Å; Q399-Y415 PolarHBondContact O-OH 2.85Å
400	I	98.9	Very high	94.6	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.173	C	C	.	.			trans	-93.8	-11.2	163.8	65.2	166.4	0	0	0	112.5	I170 P347 Y371 I388 S390 F391 L424 T427	I170-I400 HydrophobicContact CD1-CD1 3.61Å; P347-I400 HydrophobicContact CB-CG2 4.41Å; P347-I400 HydrophobicContact CG-CG2 3.99Å; Y371-I400 HydrophobicContact CE1-CG2 4.21Å; I388-I400 HydrophobicContact CD1-CD1 4.47Å; I388-I400 HydrophobicContact CG2-CD1 4.33Å; I388-I400 HydrophobicContact CG2-CG2 4.11Å; S390-I400 WeakPolarHBondContact O-CG1 3.42Å; S390-I400 PolarHBondContact O-N 2.62Å; F391-I400 HydrophobicContact CD2-CG1 4.25Å; F391-I400 PolarHBondContact O-N 3Å; I400-L424 HydrophobicContact CB-CD2 4.46Å; I400-L424 HydrophobicContact CD1-CD2 4.08Å; I400-L424 HydrophobicContact CG1-CD2 4.14Å; I400-L424 WeakPolarHBondContact O-CD2 3.43Å; I400-T427 HydrophobicContact CD1-CG2 4.48Å
401	E	98.9	Very high	94.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	-51	146.3	171.4	-165.2	-165.1	146.7	0	0	110.5	Y150 H161 F391 N392 W394 Q399 A403 Y415	Y150-E401 WeakPolarHBondContact CE1-OE1 3.36Å; Y150-E401 PolarHBondContact OH-OE2 2.75Å; H161-E401 IonicContact NE2-OE1 2.72Å; H161-E401 IonicContact NE2-OE2 2.94Å; F391-E401 HydrophobicContact CE1-CB 4.3Å; F391-E401 HydrophobicContact CE1-CG 4.09Å; F391-E401 HydrophobicContact CE2-CB 4.41Å; F391-E401 HydrophobicContact CZ-CB 4.16Å; F391-E401 HydrophobicContact CZ-CG 3.88Å; F391-E401 WeakPolarHBondContact O-CB 3.32Å; F391-E401 PolarHBondContact O-N 3.12Å; N392-E401 HydrophobicContact CB-CB 4.43Å; N392-E401 WeakPolarHBondContact CB-OE2 3.13Å; W394-E401 HydrophobicContact CZ2-CB 3.79Å; W394-E401 HydrophobicContact CZ2-CG 3.98Å; W394-E401 WeakPolarHBondContact CZ2-OE2 3.34Å; W394-E401 PolarHBondContact NE1-OE2 3.33Å; Q399-E401 HydrophobicContact CB-CB 4.45Å; E401-A403 PolarHBondContact O-N 3.26Å; E401-Y415 WeakPolarHBondContact O-CE2 3.4Å; E401-Y415 PolarHBondContact O-OH 2.82Å
402	T	98.9	Very high	94.1	Very high	10 Å²	10	36.3 Å²	36.3	6%	0.061	21%	0.207	C	C	.	.			trans	-59.5	124.2	-177.7	54.3	0	0	0	0	112.3	S146 Q164 P420 T421 L424	S146-T402 WeakPolarHBondContact CB-O 3.08Å; S146-T402 WeakPolarHBondContact CB-OG1 3.31Å; S146-T402 PolarHBondContact N-O 2.9Å; S146-T402 PolarHBondContact OG-OG1 3.31Å; Q164-T402 PolarHBondContact NE2-OG1 3.17Å; Q164-T402 PolarHBondContact OE1-OG1 2.83Å; T402-P420 WeakPolarHBondContact CA-O 3.32Å; T402-P420 HydrophobicContact CG2-CB 4.2Å; T402-P420 WeakPolarHBondContact CG2-O 3.32Å; T402-T421 HydrophobicContact CG2-CG2 4.05Å; T402-L424 HydrophobicContact CG2-CD1 3.9Å
403	A	98.7	Very high	94	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.008	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	152.4	173.5	0	0	0	0	0	110.9	Y143 Y144 W394 E401 Y415 P420	Y143-A403 HydrophobicContact CD1-CB 4.43Å; Y144-A403 VanDerWaalsContact O-CA 3.24Å; Y144-A403 WeakPolarHBondContact O-CA 3.16Å; Y144-A403 WeakPolarHBondContact O-CB 3.39Å; W394-A403 HydrophobicContact CH2-CB 3.81Å; W394-A403 HydrophobicContact CZ3-CB 3.93Å; E401-A403 PolarHBondContact O-N 3.26Å; A403-Y415 HydrophobicContact CB-CD1 4.16Å; A403-Y415 HydrophobicContact CB-CD2 4.12Å; A403-Y415 HydrophobicContact CB-CE1 3.64Å; A403-Y415 HydrophobicContact CB-CE2 3.59Å; A403-Y415 HydrophobicContact CB-CG 4.39Å; A403-Y415 VanDerWaalsContact N-CE2 3.28Å; A403-P420 VanDerWaalsContact O-CB 3.31Å; A403-P420 WeakPolarHBondContact O-CB 3.3Å
404	I	97.8	Very high	94	Very high	58 Å²	58	42 Å²	42	30%	0.297	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	151.8	179.3	57.8	171.1	0	0	0	111.5	Y144 K406 P420	Y144-I404 HydrophobicContact CD1-CD1 4.43Å; Y144-I404 HydrophobicContact CD1-CG1 4.29Å; Y144-I404 PolarHBondContact O-N 3.35Å; I404-K406 PolarHBondContact O-N 3.37Å; I404-P420 HydrophobicContact CG2-CG 4.16Å
405	P	97.4	Very high	94	Very high	70 Å²	70	42.2 Å²	42.2	46%	0.455	24%	0.238	S	C	.	.			trans	-58.5	129	166.9	-21.1	32.9	0	0	0	110.2	D414 L416	P405-D414 HydrophobicContact CB-CB 4.25Å; P405-D414 WeakPolarHBondContact CB-OD2 3.43Å; P405-D414 HydrophobicContact CG-CB 4.01Å; P405-L416 HydrophobicContact CB-CD1 4.34Å; P405-L416 HydrophobicContact CG-CD1 3.64Å; P405-L416 HydrophobicContact CG-CD2 4.32Å; P405-L416 HydrophobicContact CG-CG 3.86Å
406	K	95.8	Very high	93.9	Very high	46 Å²	46	46.7 Å²	46.7	20%	0.2	26%	0.262	C	S	.	.			trans	-140.9	130.6	172	-173.2	178.2	167.5	98.9	0	109.9	D137 Y144 I404 Y412	D137-K406 WeakPolarHBondContact OD1-CE 3.39Å; D137-K406 IonicContact OD1-NZ 3.85Å; D137-K406 PolarHBondContact OD1-NZ 3.23Å; Y144-K406 HydrophobicContact CD1-CB 4.3Å; Y144-K406 HydrophobicContact CD1-CD 3.47Å; Y144-K406 VanDerWaalsContact CD1-CD 3.47Å; Y144-K406 HydrophobicContact CD1-CG 4.5Å; Y144-K406 HydrophobicContact CD2-CD 3.43Å; Y144-K406 VanDerWaalsContact CD2-CD 3.43Å; Y144-K406 HydrophobicContact CE1-CD 3.46Å; Y144-K406 VanDerWaalsContact CE1-CD 3.46Å; Y144-K406 HydrophobicContact CE2-CD 3.42Å; Y144-K406 VanDerWaalsContact CE2-CD 3.42Å; Y144-K406 HydrophobicContact CG-CB 4.06Å; Y144-K406 HydrophobicContact CG-CD 3.42Å; Y144-K406 VanDerWaalsContact CG-CD 3.42Å; Y144-K406 HydrophobicContact CG-CG 4.38Å; Y144-K406 VanDerWaalsContact CZ-CD 3.42Å; Y144-K406 VanDerWaalsContact CZ-CE 3.49Å; Y144-K406 PolarHBondContact OH-NZ 2.93Å; I404-K406 PolarHBondContact O-N 3.37Å; K406-Y412 HydrophobicContact CB-CD2 4.1Å; K406-Y412 HydrophobicContact CD-CD2 4.47Å; K406-Y412 HydrophobicContact CD-CE2 4.38Å; K406-Y412 HydrophobicContact CG-CD2 4.34Å; K406-Y412 PolarHBondContact O-N 2.84Å
407	T	87.7	Confident	93.9	Very high	119 Å²	119	51 Å²	51	73%	0.73	29%	0.291	S	S	*	.	B	Isolated β-bridge	trans	-109.2	117.9	171.3	-53	0	0	0	0	107.9
408	G	73.7	Confident	93.8	Very high	34 Å²	34	53.4 Å²	53.4	35%	0.351	30%	0.304	S	S	.	.	S	Bend	trans	-124.9	-137.6	171	0	0	0	0	0	110.3	T410	G408-T410 PolarHBondContact N-O 3.48Å; G408-T410 PolarHBondContact O-N 2.96Å
409	Q	72.4	Confident	93.8	Very high	186 Å²	186	60.5 Å²	60.5	87%	0.869	34%	0.335	S	S	*	.	S	Bend	trans	-65.3	-23.6	166.5	-65.7	-177.6	2.8	0	0	112
410	T	77.3	Confident	93.8	Very high	84 Å²	84	62.9 Å²	62.9	52%	0.515	35%	0.351	S	S	.	.	S	Bend	trans	-122.5	148.1	173.7	-40.4	0	0	0	0	108.8	G408	G408-T410 PolarHBondContact N-O 3.48Å; G408-T410 PolarHBondContact O-N 2.96Å
411	V	90.1	Very high	93.8	Very high	110 Å²	110	64.9 Å²	64.9	67%	0.667	36%	0.363	S	S	*	.	B	Isolated β-bridge	trans	-86.1	112.5	170.7	-178.5	0	0	0	0	107.3
412	Y	97.4	Very high	93.8	Very high	12 Å²	12	66 Å²	66	5%	0.047	37%	0.369	C	S	.	.			trans	-72.7	147.5	175.7	-71.3	-93.1	0	0	0	110.1	D137 D138 I139 A141 Y144 K406	D137-Y412 WeakPolarHBondContact O-CE2 3.31Å; D137-Y412 PolarHBondContact O-OH 3.18Å; D138-Y412 WeakPolarHBondContact CA-OH 3.3Å; I139-Y412 HydrophobicContact CD1-CE1 4.32Å; I139-Y412 HydrophobicContact CG1-CE1 3.65Å; I139-Y412 WeakPolarHBondContact CG1-OH 3.13Å; I139-Y412 PolarHBondContact N-OH 3.27Å; A141-Y412 VanDerWaalsContact O-CE1 3.3Å; A141-Y412 WeakPolarHBondContact O-CE1 3.41Å; Y144-Y412 HydrophobicContact CD2-CD1 4.28Å; Y144-Y412 HydrophobicContact CD2-CD2 4.37Å; Y144-Y412 AromaticContact CD2-CE1 3.95Å; Y144-Y412 HydrophobicContact CD2-CE1 3.95Å; Y144-Y412 HydrophobicContact CD2-CE2 4.04Å; Y144-Y412 HydrophobicContact CD2-CG 4.48Å; Y144-Y412 AromaticContact CD2-CZ 3.81Å; K406-Y412 HydrophobicContact CB-CD2 4.1Å; K406-Y412 HydrophobicContact CD-CD2 4.47Å; K406-Y412 HydrophobicContact CD-CE2 4.38Å; K406-Y412 HydrophobicContact CG-CD2 4.34Å; K406-Y412 PolarHBondContact O-N 2.84Å
413	L	98.1	Very high	93.8	Very high	75 Å²	75	65.8 Å²	65.8	39%	0.393	37%	0.367	S	S	.	.	B	Isolated β-bridge	trans	-68	152	165.4	-60.7	-180	0	0	0	109.5	N142 Y143 I350	N142-L413 HydrophobicContact CB-CD1 4.49Å; N142-L413 WeakPolarHBondContact O-CB 3.44Å; N142-L413 PolarHBondContact O-N 3.45Å; Y143-L413 VanDerWaalsContact CD1-C 3.41Å; Y143-L413 HydrophobicContact CD1-CB 3.72Å; Y143-L413 WeakPolarHBondContact CD1-O 3.17Å; Y143-L413 HydrophobicContact CD2-CB 4.32Å; Y143-L413 HydrophobicContact CE1-CB 3.45Å; Y143-L413 VanDerWaalsContact CE1-CB 3.45Å; Y143-L413 HydrophobicContact CE2-CB 4.08Å; Y143-L413 HydrophobicContact CE2-CD1 4.03Å; Y143-L413 HydrophobicContact CG-CB 4.13Å; I350-L413 HydrophobicContact CD1-CD1 3.75Å; I350-L413 HydrophobicContact CG2-CD1 4.1Å
414	D	98.1	Very high	93.8	Very high	51 Å²	51	65.8 Å²	65.8	27%	0.273	37%	0.367	S	S	.	.			trans	-143.1	-173.8	-179.8	64.5	48.5	0	0	0	110.9	P405 L416	P405-D414 HydrophobicContact CB-CB 4.25Å; P405-D414 WeakPolarHBondContact CB-OD2 3.43Å; P405-D414 HydrophobicContact CG-CB 4.01Å; D414-L416 WeakPolarHBondContact OD1-CB 3.1Å; D414-L416 WeakPolarHBondContact OD1-CG 3.41Å; D414-L416 PolarHBondContact OD1-N 3.31Å
415	Y	98.5	Very high	93.8	Very high	5 Å²	5	66.3 Å²	66.3	2%	0.02	37%	0.368	C	S	.	.			trans	-101.4	6.7	-175.7	-57.5	-13.9	0	0	0	113	Y143 R365 Q399 E401 A403 N418 P420 I422 Y423	Y143-Y415 HydrophobicContact CD1-CD1 4.07Å; Y143-Y415 AromaticContact CD1-CE1 3.63Å; Y143-Y415 HydrophobicContact CD1-CE1 3.63Å; Y143-Y415 AromaticContact CE1-CD1 3.9Å; Y143-Y415 HydrophobicContact CE1-CD1 3.9Å; Y143-Y415 AromaticContact CE1-CE1 3.69Å; Y143-Y415 HydrophobicContact CE1-CE1 3.69Å; R365-Y415 PolarHBondContact NH1-OH 2.64Å; Q399-Y415 PolarHBondContact NE2-OH 2.94Å; Q399-Y415 PolarHBondContact O-OH 2.85Å; E401-Y415 WeakPolarHBondContact O-CE2 3.4Å; E401-Y415 PolarHBondContact O-OH 2.82Å; A403-Y415 HydrophobicContact CB-CD1 4.16Å; A403-Y415 HydrophobicContact CB-CD2 4.12Å; A403-Y415 HydrophobicContact CB-CE1 3.64Å; A403-Y415 HydrophobicContact CB-CE2 3.59Å; A403-Y415 HydrophobicContact CB-CG 4.39Å; A403-Y415 VanDerWaalsContact N-CE2 3.28Å; Y415-N418 WeakPolarHBondContact O-CA 3.22Å; Y415-N418 VanDerWaalsContact O-CB 3.29Å; Y415-N418 WeakPolarHBondContact O-CB 3.39Å; Y415-N418 PolarHBondContact O-N 2.81Å; Y415-P420 WeakPolarHBondContact CD2-O 3.36Å; Y415-P420 WeakPolarHBondContact CE2-O 3.46Å; Y415-I422 HydrophobicContact CD2-CG2 4.03Å; Y415-I422 HydrophobicContact CG-CG2 4.21Å; Y415-Y423 HydrophobicContact CD1-CD2 4.12Å; Y415-Y423 AromaticContact CD1-CE2 3.46Å; Y415-Y423 HydrophobicContact CD1-CE2 3.46Å; Y415-Y423 VanDerWaalsContact CD1-CE2 3.46Å; Y415-Y423 AromaticContact CD2-CD2 3.72Å; Y415-Y423 HydrophobicContact CD2-CD2 3.72Å; Y415-Y423 AromaticContact CD2-CE2 3.79Å; Y415-Y423 HydrophobicContact CD2-CE2 3.79Å; Y415-Y423 AromaticContact CE1-CD2 3.94Å; Y415-Y423 HydrophobicContact CE1-CD2 3.94Å; Y415-Y423 AromaticContact CE1-CE2 3.58Å; Y415-Y423 HydrophobicContact CE1-CE2 3.58Å; Y415-Y423 AromaticContact CE2-CD2 3.53Å; Y415-Y423 HydrophobicContact CE2-CD2 3.53Å; Y415-Y423 AromaticContact CE2-CE2 3.91Å; Y415-Y423 HydrophobicContact CE2-CE2 3.91Å; Y415-Y423 HydrophobicContact CG-CD2 4.03Å; Y415-Y423 AromaticContact CG-CE2 3.58Å; Y415-Y423 HydrophobicContact CG-CE2 3.58Å; Y415-Y423 AromaticContact CZ-CD2 3.65Å; Y415-Y423 AromaticContact CZ-CE2 3.81Å
416	L	97.3	Very high	93.9	Very high	99 Å²	99	63.7 Å²	63.7	52%	0.518	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	146.9	-179	-67.3	176.1	0	0	0	111.3	P405 D414 N418	P405-L416 HydrophobicContact CB-CD1 4.34Å; P405-L416 HydrophobicContact CG-CD1 3.64Å; P405-L416 HydrophobicContact CG-CD2 4.32Å; P405-L416 HydrophobicContact CG-CG 3.86Å; D414-L416 WeakPolarHBondContact OD1-CB 3.1Å; D414-L416 WeakPolarHBondContact OD1-CG 3.41Å; D414-L416 PolarHBondContact OD1-N 3.31Å; L416-N418 VanDerWaalsContact C-N 3.29Å
417	P	97.5	Very high	94	Very high	110 Å²	110	61.5 Å²	61.5	71%	0.714	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	cis	-81.6	6.1	4.7	35.1	-37.4	0	0	0	114.4
418	N	98.3	Very high	94.6	Very high	51 Å²	51	61 Å²	61	27%	0.273	33%	0.325	S	S	.	.	S	Bend	trans	-79.7	167.1	179.6	-53.8	-70.7	0	0	0	112.1	Y415 L416 I422	Y415-N418 WeakPolarHBondContact O-CA 3.22Å; Y415-N418 VanDerWaalsContact O-CB 3.29Å; Y415-N418 WeakPolarHBondContact O-CB 3.39Å; Y415-N418 PolarHBondContact O-N 2.81Å; L416-N418 VanDerWaalsContact C-N 3.29Å; N418-I422 HydrophobicContact CB-CB 3.7Å; N418-I422 HydrophobicContact CB-CD1 4.22Å; N418-I422 HydrophobicContact CB-CG1 3.76Å; N418-I422 HydrophobicContact CB-CG2 3.92Å
419	K	98.2	Very high	95.8	Very high	149 Å²	149	64.4 Å²	64.4	65%	0.648	33%	0.331	S	S	*	.			trans	-70	158	173.2	-64.8	180	-178.3	177	0	111.1	T421 I422	K419-T421 PolarHBondContact O-N 3.3Å; K419-I422 WeakPolarHBondContact O-CB 3.39Å; K419-I422 WeakPolarHBondContact O-CG2 3.48Å; K419-I422 PolarHBondContact O-N 3.39Å; K419-I422 VanDerWaalsContact O-N 3.07Å
420	P	98.5	Very high	97	Very high	50 Å²	50	57 Å²	57	33%	0.325	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	-27.5	171.6	-30.2	37.5	0	0	0	114.3	T402 A403 I404 Y415 I422	T402-P420 WeakPolarHBondContact CA-O 3.32Å; T402-P420 HydrophobicContact CG2-CB 4.2Å; T402-P420 WeakPolarHBondContact CG2-O 3.32Å; A403-P420 VanDerWaalsContact O-CB 3.31Å; A403-P420 WeakPolarHBondContact O-CB 3.3Å; I404-P420 HydrophobicContact CG2-CG 4.16Å; Y415-P420 WeakPolarHBondContact CD2-O 3.36Å; Y415-P420 WeakPolarHBondContact CE2-O 3.46Å; P420-I422 PolarHBondContact O-N 2.9Å
421	T	98.4	Very high	98	Very high	43 Å²	43	53.1 Å²	53.1	26%	0.264	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-3.1	-177.7	51.7	0	0	0	0	114.9	T402 K419 Y423 L424 E425	T402-T421 HydrophobicContact CG2-CG2 4.05Å; K419-T421 PolarHBondContact O-N 3.3Å; T421-Y423 VanDerWaalsContact C-N 3.32Å; T421-Y423 PolarHBondContact O-N 2.83Å; T421-L424 WeakPolarHBondContact O-CA 3.46Å; T421-L424 WeakPolarHBondContact O-CB 3.41Å; T421-L424 PolarHBondContact O-N 3.25Å; T421-E425 WeakPolarHBondContact CB-OE1 3.42Å; T421-E425 WeakPolarHBondContact O-CG 3.49Å; T421-E425 PolarHBondContact O-N 3.48Å; T421-E425 PolarHBondContact OG1-OE1 3.26Å
422	I	98.8	Very high	98.4	Very high	24 Å²	24	51.3 Å²	51.3	12%	0.123	27%	0.268	C	S	.	.	H	α-helix	trans	-55	-41.1	-169.1	-174.5	59.3	0	0	0	114	Y415 N418 K419 P420 E425 I426	Y415-I422 HydrophobicContact CD2-CG2 4.03Å; Y415-I422 HydrophobicContact CG-CG2 4.21Å; N418-I422 HydrophobicContact CB-CB 3.7Å; N418-I422 HydrophobicContact CB-CD1 4.22Å; N418-I422 HydrophobicContact CB-CG1 3.76Å; N418-I422 HydrophobicContact CB-CG2 3.92Å; K419-I422 WeakPolarHBondContact O-CB 3.39Å; K419-I422 WeakPolarHBondContact O-CG2 3.48Å; K419-I422 PolarHBondContact O-N 3.39Å; K419-I422 VanDerWaalsContact O-N 3.07Å; P420-I422 PolarHBondContact O-N 2.9Å; I422-E425 PolarHBondContact O-N 2.97Å; I422-I426 HydrophobicContact CD1-CD1 4.33Å; I422-I426 HydrophobicContact CD1-CG1 4.37Å; I422-I426 HydrophobicContact CG1-CD1 4.03Å; I422-I426 WeakPolarHBondContact O-CG1 3.3Å; I422-I426 PolarHBondContact O-N 2.76Å
423	Y	98.9	Very high	98.5	Very high	4 Å²	4	53.6 Å²	53.6	2%	0.016	28%	0.28	C	S	.	.	H	α-helix	trans	-74	-29.5	-179.3	-64.3	-76.4	0	0	0	112.4	P347 R365 Y371 Y415 T421 I426 T427	P347-Y423 HydrophobicContact CB-CD1 3.48Å; P347-Y423 VanDerWaalsContact CB-CD1 3.48Å; P347-Y423 HydrophobicContact CB-CE1 3.68Å; P347-Y423 HydrophobicContact CB-CG 4.27Å; R365-Y423 HydrophobicContact CB-CE1 4.28Å; R365-Y423 WeakPolarHBondContact CB-OH 3.48Å; R365-Y423 WeakPolarHBondContact CD-OH 3.37Å; R365-Y423 VanDerWaalsContact NH1-CD2 3.33Å; R365-Y423 VanDerWaalsContact NH1-CE2 3.26Å; Y371-Y423 HydrophobicContact CD1-CD1 4.07Å; Y415-Y423 HydrophobicContact CD1-CD2 4.12Å; Y415-Y423 AromaticContact CD1-CE2 3.46Å; Y415-Y423 HydrophobicContact CD1-CE2 3.46Å; Y415-Y423 VanDerWaalsContact CD1-CE2 3.46Å; Y415-Y423 AromaticContact CD2-CD2 3.72Å; Y415-Y423 HydrophobicContact CD2-CD2 3.72Å; Y415-Y423 AromaticContact CD2-CE2 3.79Å; Y415-Y423 HydrophobicContact CD2-CE2 3.79Å; Y415-Y423 AromaticContact CE1-CD2 3.94Å; Y415-Y423 HydrophobicContact CE1-CD2 3.94Å; Y415-Y423 AromaticContact CE1-CE2 3.58Å; Y415-Y423 HydrophobicContact CE1-CE2 3.58Å; Y415-Y423 AromaticContact CE2-CD2 3.53Å; Y415-Y423 HydrophobicContact CE2-CD2 3.53Å; Y415-Y423 AromaticContact CE2-CE2 3.91Å; Y415-Y423 HydrophobicContact CE2-CE2 3.91Å; Y415-Y423 HydrophobicContact CG-CD2 4.03Å; Y415-Y423 AromaticContact CG-CE2 3.58Å; Y415-Y423 HydrophobicContact CG-CE2 3.58Å; Y415-Y423 AromaticContact CZ-CD2 3.65Å; Y415-Y423 AromaticContact CZ-CE2 3.81Å; T421-Y423 VanDerWaalsContact C-N 3.32Å; T421-Y423 PolarHBondContact O-N 2.83Å; Y423-I426 HydrophobicContact CD1-CD1 4.45Å; Y423-T427 WeakPolarHBondContact O-CB 3.27Å; Y423-T427 PolarHBondContact O-N 3.21Å; Y423-T427 PolarHBondContact O-OG1 2.9Å
424	L	98.9	Very high	98.5	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-66	-41.4	169.5	-51.6	-180	0	0	0	110.5	Q164 T167 A168 I400 T402 T421 T427 R428	Q164-L424 HydrophobicContact CB-CD1 3.7Å; Q164-L424 HydrophobicContact CB-CD2 4.31Å; Q164-L424 HydrophobicContact CG-CD1 3.75Å; T167-L424 HydrophobicContact CG2-CB 4.21Å; T167-L424 HydrophobicContact CG2-CD1 4.47Å; A168-L424 WeakPolarHBondContact CA-O 3.3Å; A168-L424 HydrophobicContact CB-CB 4.24Å; A168-L424 HydrophobicContact CB-CD2 4.18Å; I400-L424 HydrophobicContact CB-CD2 4.46Å; I400-L424 HydrophobicContact CD1-CD2 4.08Å; I400-L424 HydrophobicContact CG1-CD2 4.14Å; I400-L424 WeakPolarHBondContact O-CD2 3.43Å; T402-L424 HydrophobicContact CG2-CD1 3.9Å; T421-L424 WeakPolarHBondContact O-CA 3.46Å; T421-L424 WeakPolarHBondContact O-CB 3.41Å; T421-L424 PolarHBondContact O-N 3.25Å; L424-T427 WeakPolarHBondContact O-CB 3.49Å; L424-T427 PolarHBondContact O-N 3.44Å; L424-R428 WeakPolarHBondContact O-CB 3.44Å; L424-R428 PolarHBondContact O-N 3.12Å
425	E	98.8	Very high	98.5	Very high	69 Å²	69	48.6 Å²	48.6	32%	0.322	26%	0.259	S	S	.	.	H	α-helix	trans	-67	-42.3	179	-68.9	171	-157.8	0	0	112.6	T421 I422 T427 R428 K429	T421-E425 WeakPolarHBondContact CB-OE1 3.42Å; T421-E425 WeakPolarHBondContact O-CG 3.49Å; T421-E425 PolarHBondContact O-N 3.48Å; T421-E425 PolarHBondContact OG1-OE1 3.26Å; I422-E425 PolarHBondContact O-N 2.97Å; E425-T427 VanDerWaalsContact C-N 3.35Å; E425-R428 PolarHBondContact O-N 3.03Å; E425-K429 PolarHBondContact O-N 3.04Å
426	I	98.9	Very high	98.5	Very high	14 Å²	14	49.6 Å²	49.6	7%	0.072	27%	0.27	C	S	.	.	H	α-helix	trans	-61.2	-46.7	172.3	-67.8	167.6	0	0	0	109.7	Y371 E372 L375 I422 Y423 R428 K429 W430	Y371-I426 HydrophobicContact CD1-CB 4.14Å; Y371-I426 HydrophobicContact CD1-CG2 3.53Å; Y371-I426 HydrophobicContact CE1-CB 4.44Å; Y371-I426 HydrophobicContact CE1-CG2 3.98Å; Y371-I426 HydrophobicContact CG-CG2 4.41Å; E372-I426 HydrophobicContact CG-CG2 3.77Å; L375-I426 HydrophobicContact CD1-CG2 4Å; I422-I426 HydrophobicContact CD1-CD1 4.33Å; I422-I426 HydrophobicContact CD1-CG1 4.37Å; I422-I426 HydrophobicContact CG1-CD1 4.03Å; I422-I426 WeakPolarHBondContact O-CG1 3.3Å; I422-I426 PolarHBondContact O-N 2.76Å; Y423-I426 HydrophobicContact CD1-CD1 4.45Å; I426-R428 VanDerWaalsContact C-N 3.33Å; I426-R428 PolarHBondContact O-N 3.44Å; I426-K429 WeakPolarHBondContact O-CB 3.32Å; I426-K429 PolarHBondContact O-N 3.06Å; I426-W430 VanDerWaalsContact O-CD1 3.31Å; I426-W430 PolarHBondContact O-N 3.41Å
427	T	98.9	Very high	98.5	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.006	26%	0.257	C	S	.	.	H	α-helix	trans	-57.3	-47.6	178	-55.7	0	0	0	0	111.1	L92 A168 I170 Y371 I388 I400 Y423 L424 E425 K429 W430 A431	L92-T427 HydrophobicContact CD2-CG2 3.88Å; A168-T427 HydrophobicContact CB-CG2 3.87Å; I170-T427 HydrophobicContact CD1-CG2 4.04Å; I170-T427 HydrophobicContact CG1-CG2 3.95Å; Y371-T427 WeakPolarHBondContact CE1-OG1 3.28Å; Y371-T427 PolarHBondContact OH-OG1 3.23Å; I388-T427 HydrophobicContact CD1-CG2 3.39Å; I400-T427 HydrophobicContact CD1-CG2 4.48Å; Y423-T427 WeakPolarHBondContact O-CB 3.27Å; Y423-T427 PolarHBondContact O-N 3.21Å; Y423-T427 PolarHBondContact O-OG1 2.9Å; L424-T427 WeakPolarHBondContact O-CB 3.49Å; L424-T427 PolarHBondContact O-N 3.44Å; E425-T427 VanDerWaalsContact C-N 3.35Å; T427-K429 VanDerWaalsContact C-N 3.35Å; T427-K429 PolarHBondContact O-N 3.23Å; T427-W430 PolarHBondContact O-N 3.15Å; T427-A431 WeakPolarHBondContact O-CB 3.34Å; T427-A431 PolarHBondContact O-N 2.97Å
428	R	98.9	Very high	98.4	Very high	108 Å²	108	43.2 Å²	43.2	41%	0.408	23%	0.227	S	C	.	.	H	α-helix	trans	-58	-44.5	177.3	-179.8	-178.9	59.3	-176.4	-2.8	112.5	P86 T167 A168 A169 L424 E425 I426 W430 A431 A432	P86-R428 HydrophobicContact CG-CG 4.22Å; T167-R428 WeakPolarHBondContact O-CB 3.47Å; T167-R428 WeakPolarHBondContact O-CD 3.4Å; A168-R428 WeakPolarHBondContact O-CA 3.38Å; A168-R428 PolarHBondContact O-N 3.39Å; A169-R428 HydrophobicContact CB-CG 4.41Å; L424-R428 WeakPolarHBondContact O-CB 3.44Å; L424-R428 PolarHBondContact O-N 3.12Å; E425-R428 PolarHBondContact O-N 3.03Å; I426-R428 VanDerWaalsContact C-N 3.33Å; I426-R428 PolarHBondContact O-N 3.44Å; R428-W430 VanDerWaalsContact C-N 3.33Å; R428-W430 PolarHBondContact O-N 2.94Å; R428-A431 PolarHBondContact O-N 3.45Å; R428-A432 PolarHBondContact O-N 2.67Å
429	K	98.8	Very high	98.1	Very high	106 Å²	106	46.9 Å²	46.9	46%	0.461	24%	0.243	S	C	.	.	H	α-helix	trans	-56.8	-49.5	176.7	172.4	-170.9	169	-170.1	0	110.4	E372 E425 I426 T427 A432 I433	E372-K429 IonicContact OE1-NZ 2.7Å; E372-K429 PolarHBondContact OE1-NZ 3.27Å; E425-K429 PolarHBondContact O-N 3.04Å; I426-K429 WeakPolarHBondContact O-CB 3.32Å; I426-K429 PolarHBondContact O-N 3.06Å; T427-K429 VanDerWaalsContact C-N 3.35Å; T427-K429 PolarHBondContact O-N 3.23Å; K429-A432 PolarHBondContact O-N 3.14Å; K429-I433 HydrophobicContact CG-CD1 4.09Å; K429-I433 WeakPolarHBondContact O-CG1 3.28Å; K429-I433 PolarHBondContact O-N 2.94Å
430	W	98.8	Very high	97.9	Very high	29 Å²	29	46.5 Å²	46.5	11%	0.11	24%	0.237	C	C	.	.	H	α-helix	trans	-75	-29.2	-177.3	-77.4	92.3	0	0	0	113.5	E372 L375 L379 I426 T427 R428 A432 I433 F434	E372-W430 HydrophobicContact CB-CZ2 4.23Å; E372-W430 WeakPolarHBondContact O-CZ2 3.38Å; E372-W430 PolarHBondContact OE1-NE1 3.43Å; E372-W430 VanDerWaalsContact OE1-NE1 3.1Å; L375-W430 HydrophobicContact CB-CB 4.34Å; L375-W430 HydrophobicContact CB-CD2 3.5Å; L375-W430 VanDerWaalsContact CB-CD2 3.5Å; L375-W430 HydrophobicContact CB-CE3 3.72Å; L375-W430 HydrophobicContact CB-CG 3.79Å; L375-W430 HydrophobicContact CB-CZ2 4.32Å; L375-W430 HydrophobicContact CB-CZ3 4.23Å; L375-W430 HydrophobicContact CD1-CB 3.91Å; L375-W430 HydrophobicContact CD1-CD2 4.21Å; L375-W430 HydrophobicContact CD1-CG 3.61Å; L375-W430 HydrophobicContact CD2-CB 3.96Å; L375-W430 HydrophobicContact CD2-CG 4.3Å; L375-W430 HydrophobicContact CG-CB 4.31Å; L375-W430 HydrophobicContact CG-CD2 4.34Å; L375-W430 HydrophobicContact CG-CG 4.11Å; L379-W430 HydrophobicContact CB-CZ3 4.31Å; L379-W430 HydrophobicContact CD2-CE3 4.45Å; L379-W430 HydrophobicContact CD2-CZ3 3.89Å; I426-W430 VanDerWaalsContact O-CD1 3.31Å; I426-W430 PolarHBondContact O-N 3.41Å; T427-W430 PolarHBondContact O-N 3.15Å; R428-W430 VanDerWaalsContact C-N 3.33Å; R428-W430 PolarHBondContact O-N 2.94Å; W430-A432 VanDerWaalsContact C-N 3.29Å; W430-A432 PolarHBondContact O-N 3.03Å; W430-I433 HydrophobicContact CD2-CD1 4.27Å; W430-I433 HydrophobicContact CE3-CD1 4.3Å; W430-I433 PolarHBondContact O-N 3.03Å; W430-F434 VanDerWaalsContact O-CB 3.28Å; W430-F434 WeakPolarHBondContact O-CB 3.35Å; W430-F434 PolarHBondContact O-N 3.37Å
431	A	98.8	Very high	97.6	Very high	4 Å²	4	47 Å²	47	3%	0.033	23%	0.232	C	C	.	.	H	α-helix	trans	-59.8	-40.7	170.8	0	0	0	0	0	111.6	N89 L92 A169 T427 R428 G435	N89-A431 HydrophobicContact CB-CB 4.46Å; N89-A431 PolarHBondContact ND2-O 3.29Å; L92-A431 HydrophobicContact CD2-CB 3.6Å; A169-A431 HydrophobicContact CB-CB 3.91Å; T427-A431 WeakPolarHBondContact O-CB 3.34Å; T427-A431 PolarHBondContact O-N 2.97Å; R428-A431 PolarHBondContact O-N 3.45Å; A431-G435 PolarHBondContact O-N 3.02Å
432	A	98.6	Very high	96.6	Very high	72 Å²	72	51.1 Å²	51.1	60%	0.595	25%	0.249	S	C	*	.	H	α-helix	trans	-69	-44.1	175.9	0	0	0	0	0	112.2	R428 K429 W430 G435 G436	R428-A432 PolarHBondContact O-N 2.67Å; K429-A432 PolarHBondContact O-N 3.14Å; W430-A432 VanDerWaalsContact C-N 3.29Å; W430-A432 PolarHBondContact O-N 3.03Å; A432-G435 PolarHBondContact O-N 3.39Å; A432-G436 PolarHBondContact O-N 3.49Å
433	I	98.7	Very high	94.8	Very high	59 Å²	59	58.9 Å²	58.9	30%	0.303	29%	0.291	S	S	.	.	H	α-helix	trans	-60.5	-51.6	176.5	-65.4	166.9	0	0	0	110.3	L379 K429 W430 G435 G436 E437	L379-I433 HydrophobicContact CD2-CG2 3.49Å; L379-I433 VanDerWaalsContact CD2-CG2 3.49Å; K429-I433 HydrophobicContact CG-CD1 4.09Å; K429-I433 WeakPolarHBondContact O-CG1 3.28Å; K429-I433 PolarHBondContact O-N 2.94Å; W430-I433 HydrophobicContact CD2-CD1 4.27Å; W430-I433 HydrophobicContact CE3-CD1 4.3Å; W430-I433 PolarHBondContact O-N 3.03Å; I433-G435 PolarHBondContact O-N 3.33Å; I433-G436 PolarHBondContact O-N 3.38Å; I433-E437 HydrophobicContact CG2-CG 4.43Å; I433-E437 WeakPolarHBondContact O-CG 3.45Å; I433-E437 PolarHBondContact O-N 3.4Å
434	F	98.5	Very high	94.5	Very high	2 Å²	2	61.7 Å²	61.7	1%	0.009	31%	0.305	C	S	.	.	H	α-helix	trans	-61	-45	179.8	175.6	-127	0	0	0	111.8	L379 P383 I386 W430 G436 E437 R438 W441	L379-F434 HydrophobicContact CD1-CB 4.17Å; L379-F434 HydrophobicContact CD1-CD2 3.76Å; L379-F434 HydrophobicContact CD1-CG 4.45Å; P383-F434 HydrophobicContact CG-CE2 4.16Å; I386-F434 HydrophobicContact CB-CE1 4.48Å; I386-F434 HydrophobicContact CD1-CB 4.3Å; I386-F434 HydrophobicContact CD1-CD1 4.03Å; I386-F434 HydrophobicContact CD1-CD2 3.81Å; I386-F434 HydrophobicContact CD1-CE1 4.29Å; I386-F434 HydrophobicContact CD1-CE2 4.09Å; I386-F434 HydrophobicContact CD1-CG 3.78Å; I386-F434 HydrophobicContact CD1-CZ 4.32Å; I386-F434 HydrophobicContact CG1-CD1 4.33Å; I386-F434 HydrophobicContact CG1-CD2 4.42Å; I386-F434 HydrophobicContact CG1-CE1 4.11Å; I386-F434 HydrophobicContact CG1-CE2 4.21Å; I386-F434 HydrophobicContact CG1-CG 4.48Å; I386-F434 HydrophobicContact CG1-CZ 4.06Å; W430-F434 VanDerWaalsContact O-CB 3.28Å; W430-F434 WeakPolarHBondContact O-CB 3.35Å; W430-F434 PolarHBondContact O-N 3.37Å; F434-G436 VanDerWaalsContact C-N 3.33Å; F434-G436 PolarHBondContact O-N 3.05Å; F434-E437 PolarHBondContact O-N 3.04Å; F434-R438 HydrophobicContact CE2-CB 4.41Å; F434-R438 VanDerWaalsContact O-CB 3.23Å; F434-R438 WeakPolarHBondContact O-CB 3.36Å; F434-R438 PolarHBondContact O-N 3.49Å; F434-W441 HydrophobicContact CD2-CH2 4.25Å; F434-W441 HydrophobicContact CE2-CH2 4.08Å; F434-W441 AromaticContact CE2-CZ3 3.97Å; F434-W441 HydrophobicContact CE2-CZ3 3.97Å
435	G	97.6	Very high	94.3	Very high	20 Å²	20	64.8 Å²	64.8	21%	0.206	32%	0.32	C	S	.	.	H	α-helix	trans	-57.5	-43.9	175.9	0	0	0	0	0	112.9	A431 A432 I433 Q439	A431-G435 PolarHBondContact O-N 3.02Å; A432-G435 PolarHBondContact O-N 3.39Å; I433-G435 PolarHBondContact O-N 3.33Å; G435-Q439 WeakPolarHBondContact O-CG 3.39Å; G435-Q439 PolarHBondContact O-N 3.11Å
436	G	97.4	Very high	94.1	Very high	25 Å²	25	64.6 Å²	64.6	26%	0.258	32%	0.32	S	S	.	.	H	α-helix	trans	-73.7	-32.8	179.5	0	0	0	0	0	114.8	A432 I433 F434 R440	A432-G436 PolarHBondContact O-N 3.49Å; I433-G436 PolarHBondContact O-N 3.38Å; F434-G436 VanDerWaalsContact C-N 3.33Å; F434-G436 PolarHBondContact O-N 3.05Å; G436-R440 PolarHBondContact O-NE 3.14Å; G436-R440 VanDerWaalsContact O-NE 3.1Å
437	E	97.8	Very high	93.8	Very high	51 Å²	51	67.5 Å²	67.5	24%	0.238	34%	0.335	C	S	.	.	H	α-helix	trans	-69.9	-42.9	171.3	-72.9	-66	158.2	0	0	111.2	L379 I433 F434 Q439 R440 W441	L379-E437 HydrophobicContact CD1-CB 4.01Å; L379-E437 HydrophobicContact CD1-CG 4.05Å; L379-E437 HydrophobicContact CD2-CG 4.22Å; L379-E437 HydrophobicContact CG-CG 4.46Å; I433-E437 HydrophobicContact CG2-CG 4.43Å; I433-E437 WeakPolarHBondContact O-CG 3.45Å; I433-E437 PolarHBondContact O-N 3.4Å; F434-E437 PolarHBondContact O-N 3.04Å; E437-Q439 VanDerWaalsContact C-N 3.32Å; E437-Q439 PolarHBondContact O-N 3.07Å; E437-R440 VanDerWaalsContact CD-NH1 3.3Å; E437-R440 WeakPolarHBondContact O-CA 3.4Å; E437-R440 WeakPolarHBondContact O-CB 3.36Å; E437-R440 PolarHBondContact O-N 3.41Å; E437-R440 IonicContact OE1-CZ 3.08Å; E437-R440 IonicContact OE1-NH1 2.88Å; E437-R440 PolarHBondContact OE1-NH1 3.45Å; E437-R440 IonicContact OE1-NH2 2.62Å; E437-R440 PolarHBondContact OE1-NH2 3.12Å; E437-R440 IonicContact OE2-CZ 3.29Å; E437-R440 VanDerWaalsContact OE2-CZ 3.29Å; E437-R440 IonicContact OE2-NE 3.93Å; E437-R440 IonicContact OE2-NH1 3.16Å; E437-R440 PolarHBondContact OE2-NH1 3.24Å; E437-R440 VanDerWaalsContact OE2-NH1 3.16Å; E437-R440 IonicContact OE2-NH2 3.43Å; E437-R440 PolarHBondContact OE2-NH2 2.79Å; E437-W441 HydrophobicContact CB-CH2 4.34Å; E437-W441 HydrophobicContact CB-CZ2 3.69Å; E437-W441 VanDerWaalsContact O-CD1 3.23Å; E437-W441 VanDerWaalsContact O-CG 3.31Å; E437-W441 PolarHBondContact O-N 3.36Å; E437-W441 PolarHBondContact O-NE1 3.39Å
438	R	95.3	Very high	93.5	Very high	25 Å²	25	71.7 Å²	71.7	9%	0.094	36%	0.355	C	S	.	.	H	α-helix	trans	-63.2	-36.8	-178.5	-169.4	-179	157.1	-70.5	-10.7	112.6	Y91 F434 W441 Q442	Y91-R438 VanDerWaalsContact CZ-NH1 3.26Å; Y91-R438 PolarHBondContact OH-NH2 3.33Å; F434-R438 HydrophobicContact CE2-CB 4.41Å; F434-R438 VanDerWaalsContact O-CB 3.23Å; F434-R438 WeakPolarHBondContact O-CB 3.36Å; F434-R438 PolarHBondContact O-N 3.49Å; R438-W441 HydrophobicContact CB-CE3 4.2Å; R438-W441 HydrophobicContact CB-CZ3 4.25Å; R438-W441 HydrophobicContact CG-CE3 4.19Å; R438-W441 HydrophobicContact CG-CZ3 4.38Å; R438-W441 PolarHBondContact O-N 3.06Å; R438-Q442 VanDerWaalsContact NH2-NE2 3.17Å
439	Q	92.8	Very high	93.1	Very high	128 Å²	128	69.3 Å²	69.3	60%	0.598	35%	0.352	S	S	*	.	H	α-helix	trans	-60.4	-45.9	171.5	-74.5	173.6	-10.8	0	0	111.5	G435 E437 W441 Q442 D443	G435-Q439 WeakPolarHBondContact O-CG 3.39Å; G435-Q439 PolarHBondContact O-N 3.11Å; E437-Q439 VanDerWaalsContact C-N 3.32Å; E437-Q439 PolarHBondContact O-N 3.07Å; Q439-W441 PolarHBondContact O-N 3.45Å; Q439-Q442 PolarHBondContact O-N 3.03Å; Q439-Q442 VanDerWaalsContact O-N 3.09Å; Q439-D443 PolarHBondContact O-N 3.39Å
440	R	94.2	Very high	92.7	Very high	141 Å²	141	66.6 Å²	66.6	53%	0.532	34%	0.344	S	S	.	.	H	α-helix	trans	-66.1	-18.9	177.8	-77.3	-179	-80.3	155.9	-11.8	114.8	G436 E437 Q442	G436-R440 PolarHBondContact O-NE 3.14Å; G436-R440 VanDerWaalsContact O-NE 3.1Å; E437-R440 VanDerWaalsContact CD-NH1 3.3Å; E437-R440 WeakPolarHBondContact O-CA 3.4Å; E437-R440 WeakPolarHBondContact O-CB 3.36Å; E437-R440 PolarHBondContact O-N 3.41Å; E437-R440 IonicContact OE1-CZ 3.08Å; E437-R440 IonicContact OE1-NH1 2.88Å; E437-R440 PolarHBondContact OE1-NH1 3.45Å; E437-R440 IonicContact OE1-NH2 2.62Å; E437-R440 PolarHBondContact OE1-NH2 3.12Å; E437-R440 IonicContact OE2-CZ 3.29Å; E437-R440 VanDerWaalsContact OE2-CZ 3.29Å; E437-R440 IonicContact OE2-NE 3.93Å; E437-R440 IonicContact OE2-NH1 3.16Å; E437-R440 PolarHBondContact OE2-NH1 3.24Å; E437-R440 VanDerWaalsContact OE2-NH1 3.16Å; E437-R440 IonicContact OE2-NH2 3.43Å; E437-R440 PolarHBondContact OE2-NH2 2.79Å; R440-Q442 VanDerWaalsContact C-N 3.33Å
441	W	91.9	Very high	92.2	Very high	59 Å²	59	69.5 Å²	69.5	22%	0.223	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-16.7	175.1	-59.2	-17.2	0	0	0	113	L379 R382 F434 E437 R438 Q439	L379-W441 HydrophobicContact CD1-CH2 4.05Å; L379-W441 HydrophobicContact CD1-CZ2 4.18Å; R382-W441 VanDerWaalsContact CA-CH2 3.43Å; R382-W441 HydrophobicContact CB-CD2 4.3Å; R382-W441 HydrophobicContact CB-CE3 4.19Å; R382-W441 HydrophobicContact CB-CH2 3.96Å; R382-W441 HydrophobicContact CB-CZ2 4.02Å; R382-W441 HydrophobicContact CB-CZ3 4.02Å; R382-W441 HydrophobicContact CG-CD2 4.38Å; R382-W441 HydrophobicContact CG-CH2 4.2Å; R382-W441 HydrophobicContact CG-CZ2 3.75Å; R382-W441 VanDerWaalsContact NH2-CB 3.34Å; F434-W441 HydrophobicContact CD2-CH2 4.25Å; F434-W441 HydrophobicContact CE2-CH2 4.08Å; F434-W441 AromaticContact CE2-CZ3 3.97Å; F434-W441 HydrophobicContact CE2-CZ3 3.97Å; E437-W441 HydrophobicContact CB-CH2 4.34Å; E437-W441 HydrophobicContact CB-CZ2 3.69Å; E437-W441 VanDerWaalsContact O-CD1 3.23Å; E437-W441 VanDerWaalsContact O-CG 3.31Å; E437-W441 PolarHBondContact O-N 3.36Å; E437-W441 PolarHBondContact O-NE1 3.39Å; R438-W441 HydrophobicContact CB-CE3 4.2Å; R438-W441 HydrophobicContact CB-CZ3 4.25Å; R438-W441 HydrophobicContact CG-CE3 4.19Å; R438-W441 HydrophobicContact CG-CZ3 4.38Å; R438-W441 PolarHBondContact O-N 3.06Å; Q439-W441 PolarHBondContact O-N 3.45Å
442	Q	78	Confident	91.7	Very high	130 Å²	130	75 Å²	75	61%	0.607	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-21.1	179.7	-64.7	-176.5	-27.1	0	0	112.5	R438 Q439 R440	R438-Q442 VanDerWaalsContact NH2-NE2 3.17Å; Q439-Q442 PolarHBondContact O-N 3.03Å; Q439-Q442 VanDerWaalsContact O-N 3.09Å; R440-Q442 VanDerWaalsContact C-N 3.33Å
443	D	59.3	Low	91.1	Very high	188 Å²	188	75.3 Å²	75.3	100%	1.005	37%	0.37	S	S	*	.			trans	-76.8	0	166	-60.1	-29.7	0	0	0	110.8	Q439	Q439-D443 PolarHBondContact O-N 3.39Å

Retrieved 443 of 443 residues in 380.5 ms (Link to these results)

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