A0A087X6M6_POEFO Loading...

alpha-N-acetylneuraminyl-2,3-beta-galactosyl-1,3-N-acetylgalactosaminide6-alpha-sialyltransferase

AlphaFold DB , UniProt , Accession A0A087X6M6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 306 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	L	44.6	Very low	51	Low	230 Å²	230	150 Å²	150	100%	1.204	77%	0.772	S	S	*	*				0	133.3	0	-71.5	159.5	0	0	0	107.4
2	P	45.6	Very low	51.6	Low	126 Å²	126	141.7 Å²	141.7	82%	0.818	74%	0.742	S	S	*	*			cis	-118.8	165.7	-13.3	31.9	-13.2	0	0	0	113
3	F	42.5	Very low	52.1	Low	215 Å²	215	136.6 Å²	136.6	94%	0.943	72%	0.721	S	S	*	*			trans	-89.6	142.3	174.7	-94.7	-87.9	0	0	0	112.1
4	S	48.1	Very low	52.9	Low	88 Å²	88	132 Å²	132	62%	0.615	71%	0.705	S	S	*	*			trans	-79.1	163.8	-165.1	81.8	0	0	0	0	116.2	Q6	S4-Q6 PolarHBondContact O-N 3.33Å
5	P	53.5	Low	53.4	Low	118 Å²	118	130.3 Å²	130.3	77%	0.766	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	10.1	-167.6	3	15.3	0	0	0	116.2
6	Q	55	Low	54.2	Low	161 Å²	161	129.2 Å²	129.2	75%	0.752	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	-9.1	-170.6	-81.9	180	-16.7	0	0	116	S4	S4-Q6 PolarHBondContact O-N 3.33Å
7	R	52	Low	55	Low	211 Å²	211	126.6 Å²	126.6	80%	0.796	68%	0.678	S	S	*	*	H	α-helix	trans	-85.2	-18.2	179.5	-91.1	-179.3	174.7	-177.2	-1.8	115.3	I11	R7-I11 WeakPolarHBondContact O-CD1 3.37Å; R7-I11 WeakPolarHBondContact O-CG1 3.4Å
8	K	49.5	Very low	55.6	Low	183 Å²	183	124.4 Å²	124.4	80%	0.796	67%	0.67	S	S	*	*	H	α-helix	trans	-78.7	-28.4	-177.2	-66	-174.3	179.8	-177.4	0	113.2	A12	K8-A12 PolarHBondContact O-N 2.94Å
9	S	57	Low	56.1	Low	83 Å²	83	122.2 Å²	122.2	58%	0.58	66%	0.661	S	S	*	*	H	α-helix	trans	-78	-34.4	-176.8	-164.6	0	0	0	0	113.7	T13	S9-T13 PolarHBondContact O-N 3.24Å; S9-T13 PolarHBondContact O-OG1 3.4Å
10	L	55.4	Low	56.6	Low	129 Å²	129	119.4 Å²	119.4	68%	0.675	65%	0.65	S	S	*	*	H	α-helix	trans	-74.3	-31.1	179.4	-82.2	155.2	0	0	0	112.9	T13 S14	L10-T13 PolarHBondContact O-OG1 3.15Å; L10-S14 VanDerWaalsContact O-CB 3.29Å; L10-S14 WeakPolarHBondContact O-CB 3.29Å; L10-S14 PolarHBondContact O-N 3.49Å
11	I	57.5	Low	56.9	Low	106 Å²	106	118.9 Å²	118.9	54%	0.544	65%	0.647	S	S	.	*	H	α-helix	trans	-73.1	-41.7	177.2	-63.6	171.7	0	0	0	110	R7 S14 L15	R7-I11 WeakPolarHBondContact O-CD1 3.37Å; R7-I11 WeakPolarHBondContact O-CG1 3.4Å; I11-S14 PolarHBondContact O-N 3.02Å; I11-L15 HydrophobicContact CG2-CD1 3.84Å; I11-L15 WeakPolarHBondContact O-CB 3.45Å; I11-L15 PolarHBondContact O-N 3.46Å
12	A	58.4	Low	57.7	Low	50 Å²	50	114.8 Å²	114.8	41%	0.413	62%	0.62	S	S	.	*	H	α-helix	trans	-65.5	-43	178.7	0	0	0	0	0	112.6	K8 L15 I16	K8-A12 PolarHBondContact O-N 2.94Å; A12-L15 PolarHBondContact O-N 3.18Å; A12-I16 WeakPolarHBondContact O-CD1 3.22Å; A12-I16 VanDerWaalsContact O-CG1 3.27Å; A12-I16 WeakPolarHBondContact O-CG1 3.31Å; A12-I16 PolarHBondContact O-N 3.29Å; A12-I16 VanDerWaalsContact O-N 3.15Å
13	T	58.6	Low	58.3	Low	76 Å²	76	112.5 Å²	112.5	47%	0.466	60%	0.603	S	S	.	*	H	α-helix	trans	-68.8	-36.8	177	44.4	0	0	0	0	112.6	S9 L10 I16 V17	S9-T13 PolarHBondContact O-N 3.24Å; S9-T13 PolarHBondContact O-OG1 3.4Å; L10-T13 PolarHBondContact O-OG1 3.15Å; T13-I16 PolarHBondContact O-N 3.2Å; T13-V17 WeakPolarHBondContact O-CG2 3.43Å; T13-V17 PolarHBondContact O-N 3.44Å
14	S	62.6	Low	58.9	Low	72 Å²	72	106.2 Å²	106.2	50%	0.503	58%	0.582	S	S	.	*	H	α-helix	trans	-65.5	-41.2	175.5	-167.3	0	0	0	0	112.3	L10 I11 I16 V17 V18	L10-S14 VanDerWaalsContact O-CB 3.29Å; L10-S14 WeakPolarHBondContact O-CB 3.29Å; L10-S14 PolarHBondContact O-N 3.49Å; I11-S14 PolarHBondContact O-N 3.02Å; S14-I16 PolarHBondContact O-N 2.71Å; S14-V17 PolarHBondContact O-N 2.96Å; S14-V18 VanDerWaalsContact O-CG2 3.31Å; S14-V18 WeakPolarHBondContact O-CG2 3.37Å; S14-V18 PolarHBondContact O-N 3.06Å
15	L	60.7	Low	59.4	Low	107 Å²	107	106.6 Å²	106.6	56%	0.56	58%	0.581	S	S	*	*	H	α-helix	trans	-63.3	-40.7	175.5	-98.9	142.5	0	0	0	112.8	I11 A12 V17 V18 V19	I11-L15 HydrophobicContact CG2-CD1 3.84Å; I11-L15 WeakPolarHBondContact O-CB 3.45Å; I11-L15 PolarHBondContact O-N 3.46Å; A12-L15 PolarHBondContact O-N 3.18Å; L15-V17 PolarHBondContact O-N 3.44Å; L15-V18 PolarHBondContact O-N 3.5Å; L15-V19 WeakPolarHBondContact O-CB 3.45Å; L15-V19 WeakPolarHBondContact O-CG2 3.27Å; L15-V19 PolarHBondContact O-N 3.39Å
16	I	66.3	Low	59.5	Low	112 Å²	112	105.3 Å²	105.3	57%	0.574	57%	0.57	S	S	*	*	H	α-helix	trans	-65.9	-39.2	179	-67.9	165.3	0	0	0	111.3	A12 T13 S14 S20	A12-I16 WeakPolarHBondContact O-CD1 3.22Å; A12-I16 VanDerWaalsContact O-CG1 3.27Å; A12-I16 WeakPolarHBondContact O-CG1 3.31Å; A12-I16 PolarHBondContact O-N 3.29Å; A12-I16 VanDerWaalsContact O-N 3.15Å; T13-I16 PolarHBondContact O-N 3.2Å; S14-I16 PolarHBondContact O-N 2.71Å; I16-S20 VanDerWaalsContact O-CB 3.31Å; I16-S20 WeakPolarHBondContact O-CB 3.45Å; I16-S20 PolarHBondContact O-N 2.99Å; I16-S20 PolarHBondContact O-OG 2.97Å
17	V	67.1	Low	59.4	Low	86 Å²	86	103.4 Å²	103.4	52%	0.521	57%	0.565	S	S	.	*	H	α-helix	trans	-68.3	-42.3	177.9	173.1	0	0	0	0	111.2	T13 S14 L15 S20 L21	T13-V17 WeakPolarHBondContact O-CG2 3.43Å; T13-V17 PolarHBondContact O-N 3.44Å; S14-V17 PolarHBondContact O-N 2.96Å; L15-V17 PolarHBondContact O-N 3.44Å; V17-S20 PolarHBondContact O-N 3.34Å; V17-L21 HydrophobicContact CG1-CD1 3.88Å; V17-L21 WeakPolarHBondContact O-CB 3.3Å; V17-L21 WeakPolarHBondContact O-CG 3.32Å; V17-L21 PolarHBondContact O-N 3.45Å
18	V	67.1	Low	59.3	Low	87 Å²	87	102.2 Å²	102.2	53%	0.527	57%	0.566	S	S	.	*	H	α-helix	trans	-65.4	-43	177.5	172.8	0	0	0	0	111.6	S14 L15 S20 L21 F22	S14-V18 VanDerWaalsContact O-CG2 3.31Å; S14-V18 WeakPolarHBondContact O-CG2 3.37Å; S14-V18 PolarHBondContact O-N 3.06Å; L15-V18 PolarHBondContact O-N 3.5Å; V18-S20 VanDerWaalsContact C-N 3.35Å; V18-L21 PolarHBondContact O-N 3.1Å; V18-F22 VanDerWaalsContact O-CB 3.32Å; V18-F22 WeakPolarHBondContact O-CB 3.31Å; V18-F22 PolarHBondContact O-N 3.39Å
19	V	65.4	Low	59	Low	82 Å²	82	97.8 Å²	97.8	50%	0.497	56%	0.558	S	S	.	*	H	α-helix	trans	-65.9	-39.4	177.5	172.3	0	0	0	0	111	L15 F22 V23	L15-V19 WeakPolarHBondContact O-CB 3.45Å; L15-V19 WeakPolarHBondContact O-CG2 3.27Å; L15-V19 PolarHBondContact O-N 3.39Å; V19-F22 PolarHBondContact O-N 2.96Å; V19-V23 VanDerWaalsContact O-CG2 3.3Å; V19-V23 WeakPolarHBondContact O-CG2 3.46Å; V19-V23 PolarHBondContact O-N 3.49Å
20	S	65.8	Low	58.2	Low	65 Å²	65	102.3 Å²	102.3	46%	0.455	57%	0.57	S	S	.	*	H	α-helix	trans	-66.8	-42.6	178.2	-57.8	0	0	0	0	112.1	I16 V17 V18 F22 V23 V24	I16-S20 VanDerWaalsContact O-CB 3.31Å; I16-S20 WeakPolarHBondContact O-CB 3.45Å; I16-S20 PolarHBondContact O-N 2.99Å; I16-S20 PolarHBondContact O-OG 2.97Å; V17-S20 PolarHBondContact O-N 3.34Å; V18-S20 VanDerWaalsContact C-N 3.35Å; S20-F22 VanDerWaalsContact C-N 3.35Å; S20-V23 PolarHBondContact O-N 2.93Å; S20-V24 WeakPolarHBondContact O-CG2 3.32Å; S20-V24 PolarHBondContact O-N 3.46Å; S20-V24 VanDerWaalsContact O-N 3.1Å
21	L	62	Low	57.2	Low	109 Å²	109	105.4 Å²	105.4	57%	0.571	58%	0.578	S	S	*	*	H	α-helix	trans	-65.1	-38.1	174.2	-77.4	164.1	0	0	0	111.9	V17 V18 V24 V25	V17-L21 HydrophobicContact CG1-CD1 3.88Å; V17-L21 WeakPolarHBondContact O-CB 3.3Å; V17-L21 WeakPolarHBondContact O-CG 3.32Å; V17-L21 PolarHBondContact O-N 3.45Å; V18-L21 PolarHBondContact O-N 3.1Å; L21-V24 PolarHBondContact O-N 3.32Å; L21-V25 VanDerWaalsContact O-CG2 3.31Å; L21-V25 WeakPolarHBondContact O-CG2 3.31Å; L21-V25 PolarHBondContact O-N 2.98Å
22	F	61.7	Low	56.5	Low	145 Å²	145	104.9 Å²	104.9	64%	0.636	58%	0.582	S	S	*	*	H	α-helix	trans	-65.8	-42.2	177.2	-161.4	-96.5	0	0	0	112	V18 V19 S20 V24 V25 V26	V18-F22 VanDerWaalsContact O-CB 3.32Å; V18-F22 WeakPolarHBondContact O-CB 3.31Å; V18-F22 PolarHBondContact O-N 3.39Å; V19-F22 PolarHBondContact O-N 2.96Å; S20-F22 VanDerWaalsContact C-N 3.35Å; F22-V24 VanDerWaalsContact C-N 3.34Å; F22-V24 PolarHBondContact O-N 2.93Å; F22-V25 PolarHBondContact O-N 3.35Å; F22-V26 HydrophobicContact CD1-CG2 3.96Å; F22-V26 HydrophobicContact CE1-CG2 3.83Å; F22-V26 HydrophobicContact CZ-CG2 4.45Å; F22-V26 WeakPolarHBondContact O-CB 3.49Å; F22-V26 WeakPolarHBondContact O-CG2 3.44Å; F22-V26 PolarHBondContact O-N 3.49Å
23	V	58.1	Low	55.3	Low	77 Å²	77	112.4 Å²	112.4	47%	0.467	60%	0.601	S	S	.	*	H	α-helix	trans	-64.7	-37	175.8	171.6	0	0	0	0	111.8	V19 S20 N27	V19-V23 VanDerWaalsContact O-CG2 3.3Å; V19-V23 WeakPolarHBondContact O-CG2 3.46Å; V19-V23 PolarHBondContact O-N 3.49Å; S20-V23 PolarHBondContact O-N 2.93Å; V23-N27 WeakPolarHBondContact O-CB 3.45Å; V23-N27 PolarHBondContact O-N 3.47Å; V23-N27 PolarHBondContact O-ND2 3.32Å
24	V	55.8	Low	54.1	Low	84 Å²	84	117.6 Å²	117.6	51%	0.509	62%	0.617	S	S	.	*	H	α-helix	trans	-67.7	-43.2	175.5	171.9	0	0	0	0	111.3	S20 L21 F22 N27 F28	S20-V24 WeakPolarHBondContact O-CG2 3.32Å; S20-V24 PolarHBondContact O-N 3.46Å; S20-V24 VanDerWaalsContact O-N 3.1Å; L21-V24 PolarHBondContact O-N 3.32Å; F22-V24 VanDerWaalsContact C-N 3.34Å; F22-V24 PolarHBondContact O-N 2.93Å; V24-N27 PolarHBondContact O-N 3.47Å; V24-F28 WeakPolarHBondContact O-CB 3.46Å; V24-F28 PolarHBondContact O-N 3.37Å
25	V	57.5	Low	52.8	Low	96 Å²	96	121.9 Å²	121.9	58%	0.582	63%	0.634	S	S	*	*	H	α-helix	trans	-65.6	-39.3	177.1	171.3	0	0	0	0	111.7	L21 F22 F28 S29	L21-V25 VanDerWaalsContact O-CG2 3.31Å; L21-V25 WeakPolarHBondContact O-CG2 3.31Å; L21-V25 PolarHBondContact O-N 2.98Å; F22-V25 PolarHBondContact O-N 3.35Å; V25-F28 PolarHBondContact O-N 2.96Å; V25-S29 WeakPolarHBondContact O-CB 3.39Å; V25-S29 PolarHBondContact O-N 3.46Å; V25-S29 VanDerWaalsContact O-N 3.09Å
26	V	57	Low	51.5	Low	90 Å²	90	124.7 Å²	124.7	55%	0.545	65%	0.648	S	S	.	*	H	α-helix	trans	-67.9	-36.3	175.8	171.5	0	0	0	0	111.7	F22	F22-V26 HydrophobicContact CD1-CG2 3.96Å; F22-V26 HydrophobicContact CE1-CG2 3.83Å; F22-V26 HydrophobicContact CZ-CG2 4.45Å; F22-V26 WeakPolarHBondContact O-CB 3.49Å; F22-V26 WeakPolarHBondContact O-CG2 3.44Å; F22-V26 PolarHBondContact O-N 3.49Å
27	N	51.8	Low	50	Low	122 Å²	122	128.2 Å²	128.2	65%	0.652	66%	0.662	S	S	*	*	H	α-helix	trans	-75	-30.8	175.5	-93.6	-45.6	0	0	0	113.7	V23 V24	V23-N27 WeakPolarHBondContact O-CB 3.45Å; V23-N27 PolarHBondContact O-N 3.47Å; V23-N27 PolarHBondContact O-ND2 3.32Å; V24-N27 PolarHBondContact O-N 3.47Å
28	F	49.3	Very low	48.6	Very low	186 Å²	186	129.6 Å²	129.6	82%	0.816	67%	0.673	S	S	*	*	H	α-helix	trans	-81.2	-24.3	178.9	-112.2	-94.7	0	0	0	113.6	V24 V25 Q30	V24-F28 WeakPolarHBondContact O-CB 3.46Å; V24-F28 PolarHBondContact O-N 3.37Å; V25-F28 PolarHBondContact O-N 2.96Å; F28-Q30 PolarHBondContact O-N 2.91Å
29	S	44.3	Very low	47.1	Very low	89 Å²	89	131.5 Å²	131.5	62%	0.622	69%	0.685	S	S	*	*			trans	-92.3	68.8	-179.9	-166.7	0	0	0	0	111.8	V25 K31	V25-S29 WeakPolarHBondContact O-CB 3.39Å; V25-S29 PolarHBondContact O-N 3.46Å; V25-S29 VanDerWaalsContact O-N 3.09Å; S29-K31 PolarHBondContact O-N 2.97Å
30	Q	40.9	Very low	45.4	Very low	178 Å²	178	137.4 Å²	137.4	83%	0.832	70%	0.704	S	S	*	*			trans	-75.3	98	162.5	-82.9	-172.4	-16.4	0	0	109.7	F28	F28-Q30 PolarHBondContact O-N 2.91Å
31	K	32.5	Very low	43.9	Very low	195 Å²	195	137.6 Å²	137.6	85%	0.848	72%	0.716	S	S	*	*			trans	-169.7	141.9	136	-102.1	165.5	-165.8	-175.5	0	112	S29	S29-K31 PolarHBondContact O-N 2.97Å
32	P	43.2	Very low	42.4	Very low	95 Å²	95	140.8 Å²	140.8	62%	0.617	73%	0.728	S	S	*	*			trans	-85.9	155.3	-168.5	36.6	-32.7	0	0	0	110.6
33	Y	32.7	Very low	41.3	Very low	207 Å²	207	140.3 Å²	140.3	81%	0.812	74%	0.738	S	S	*	*				174.8	130.8	126.2	-93	-69.6	0	0	0	110.3
34	F	34.2	Very low	39.9	Very low	185 Å²	185	145.4 Å²	145.4	81%	0.811	75%	0.754	S	S	*	*			trans	34	116.1	139.9	-97.5	-103.8	0	0	0	117.9
35	L	35.3	Very low	38.7	Very low	163 Å²	163	146.8 Å²	146.8	85%	0.853	77%	0.767	S	S	*	*				-177.8	147.1	124.2	-94.2	160.6	0	0	0	109.5
36	L	33.6	Very low	37.4	Very low	166 Å²	166	150.3 Å²	150.3	87%	0.869	78%	0.783	S	S	*	*			trans	96.9	95.8	171.8	-53.9	165.1	0	0	0	116.7
37	Q	34.3	Very low	36.4	Very low	186 Å²	186	154.1 Å²	154.1	87%	0.869	79%	0.794	S	S	*	*			trans	-77.1	151.2	140.5	-80.5	-171	-51.5	0	0	108.9
38	P	37.2	Very low	35.8	Very low	114 Å²	114	160 Å²	160	74%	0.74	81%	0.808	S	S	*	*				-141.6	148.1	111.5	30.1	-12.4	0	0	0	115.3
39	V	35.9	Very low	35	Very low	128 Å²	128	158.5 Å²	158.5	78%	0.776	81%	0.805	S	S	*	*			trans	16.3	105.7	141.9	-171.6	0	0	0	0	117.1
40	F	31.1	Very low	34.7	Very low	206 Å²	206	161.9 Å²	161.9	90%	0.904	81%	0.808	S	S	*	*			trans	-159.8	116.1	132.5	-113.3	-81.3	0	0	0	108.2
41	G	33.8	Very low	34.7	Very low	69 Å²	69	158.7 Å²	158.7	71%	0.711	81%	0.806	S	S	*	*			trans	-76.7	125.9	171.1	0	0	0	0	0	109.7
42	Q	30	Very low	35.1	Very low	175 Å²	175	158 Å²	158	82%	0.818	80%	0.803	S	S	*	*			trans	-161.1	127.4	141.8	-106.9	175.7	16.3	0	0	109.2	F44	Q42-F44 PolarHBondContact O-N 3.22Å
43	T	38	Very low	34.8	Very low	136 Å²	136	160.8 Å²	160.8	83%	0.834	81%	0.808	S	S	*	*			trans	-46.2	110.3	176.7	42	0	0	0	0	113.1
44	F	29.1	Very low	35	Very low	183 Å²	183	155.6 Å²	155.6	80%	0.803	80%	0.802	S	S	*	*			trans	-130.2	134.3	154.4	-83.6	-84.1	0	0	0	109.1	Q42 N46	Q42-F44 PolarHBondContact O-N 3.22Å; F44-N46 PolarHBondContact O-N 3.09Å
45	S	31.3	Very low	35.5	Very low	114 Å²	114	157.3 Å²	157.3	80%	0.797	80%	0.804	S	S	*	*			trans	-54.7	112.1	-174.7	-172.1	0	0	0	0	112.3	H47	S45-H47 PolarHBondContact O-N 3.46Å
46	N	30.6	Very low	36.1	Very low	169 Å²	169	158 Å²	158	90%	0.904	80%	0.8	S	S	*	*			trans	-79.5	60.3	176.5	-78.5	-32.4	0	0	0	111.8	F44	F44-N46 PolarHBondContact O-N 3.09Å
47	H	36.2	Very low	37.3	Very low	171 Å²	171	154.6 Å²	154.6	79%	0.792	80%	0.796	S	S	*	*			trans	-111.4	35.3	172.3	-145.5	77.9	0	0	0	113.4	S45	S45-H47 PolarHBondContact O-N 3.46Å
48	W	39.3	Very low	38.7	Very low	246 Å²	246	151.6 Å²	151.6	93%	0.932	78%	0.781	S	S	*	*	S	Bend	trans	-169.2	98.3	161.6	-142.8	61	0	0	0	109.5
49	M	30.6	Very low	40.6	Very low	153 Å²	153	153.9 Å²	153.9	75%	0.754	78%	0.779	S	S	*	*	S	Bend	trans	176.6	124.9	149.4	-88.3	-118	-99.6	0	0	110.5
50	F	39.4	Very low	43	Very low	160 Å²	160	150.7 Å²	150.7	70%	0.702	76%	0.761	S	S	*	*			trans	74.4	61.4	169.9	-50	-69.7	0	0	0	118.7	K52	F50-K52 PolarHBondContact O-N 3.16Å
51	S	39.8	Very low	45.9	Very low	112 Å²	112	141.9 Å²	141.9	78%	0.783	72%	0.722	S	S	*	*			trans	-71.7	76.1	135.3	-176.4	0	0	0	0	108.2	Q53	S51-Q53 PolarHBondContact O-N 2.82Å
52	K	41.3	Very low	48.7	Very low	180 Å²	180	144.5 Å²	144.5	78%	0.783	72%	0.719	S	S	*	*			trans	-72.4	93.2	154.7	-92.9	-173.7	178.1	177.6	0	104.8	F50 S54	F50-K52 PolarHBondContact O-N 3.16Å; K52-S54 PolarHBondContact O-N 2.85Å
53	Q	36.8	Very low	51.9	Low	154 Å²	154	137 Å²	137	72%	0.72	69%	0.688	S	S	*	*			trans	-43.6	110.4	164	-166.1	91.5	17.5	0	0	106.8	S51 Y55	S51-Q53 PolarHBondContact O-N 2.82Å; Q53-Y55 PolarHBondContact O-N 3.29Å
54	S	38.4	Very low	54.7	Low	97 Å²	97	130.7 Å²	130.7	68%	0.678	65%	0.649	S	S	*	*			trans	-56.5	110.6	168.5	174.8	0	0	0	0	105.6	K52 K56	K52-S54 PolarHBondContact O-N 2.85Å; S54-K56 PolarHBondContact O-N 3.39Å
55	Y	42.9	Very low	58	Low	221 Å²	221	122.6 Å²	122.6	87%	0.867	62%	0.615	S	S	*	*			trans	-56.6	100.1	164.4	-83.9	-92.7	0	0	0	104.8	Q53 A57	Q53-Y55 PolarHBondContact O-N 3.29Å; Y55-A57 PolarHBondContact O-N 3.03Å
56	K	49.5	Very low	61.2	Low	178 Å²	178	117.8 Å²	117.8	77%	0.774	58%	0.581	S	S	*	*			trans	-53.8	106.3	174.3	-88.4	-177.9	175.4	178.2	0	106.1	S54 F58	S54-K56 PolarHBondContact O-N 3.39Å; K56-F58 PolarHBondContact O-N 3.3Å
57	A	57.3	Low	64.3	Low	95 Å²	95	110 Å²	110	79%	0.785	54%	0.54	S	S	*	.	P	Polyproline II helix	trans	-54	117.3	172.5	0	0	0	0	0	106.9	Y55 K59	Y55-A57 PolarHBondContact O-N 3.03Å; A57-K59 PolarHBondContact O-N 3.05Å; A57-K59 VanDerWaalsContact O-N 3.11Å
58	F	63.3	Low	67.1	Low	123 Å²	123	104.7 Å²	104.7	54%	0.539	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-56.6	120.8	-179.8	-72.6	-97.1	0	0	0	108.3	K56 P60 N76	K56-F58 PolarHBondContact O-N 3.3Å; F58-P60 WeakPolarHBondContact O-CD 3.22Å; F58-N76 HydrophobicContact CD1-CB 3.69Å; F58-N76 WeakPolarHBondContact CD1-ND2 3.48Å; F58-N76 HydrophobicContact CE1-CB 3.76Å
59	K	77.3	Confident	69.7	Low	162 Å²	162	100.5 Å²	100.5	70%	0.704	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-61.9	122.3	176.4	-172.2	178.8	178.9	-176.2	0	108.1	A57	A57-K59 PolarHBondContact O-N 3.05Å; A57-K59 VanDerWaalsContact O-N 3.11Å
60	P	86.3	Confident	72.8	Confident	60 Å²	60	96.3 Å²	96.3	39%	0.39	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-67.2	136.7	178.2	25.9	-32.2	0	0	0	110.4	F58 L62 P72	F58-P60 WeakPolarHBondContact O-CD 3.22Å; P60-L62 PolarHBondContact O-N 3.06Å; P60-P72 HydrophobicContact CB-CB 3.83Å; P60-P72 HydrophobicContact CB-CG 4.42Å
61	H	91.8	Very high	75.6	Confident	22 Å²	22	94 Å²	94	10%	0.102	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	89.5	177.8	-61.4	-74.3	0	0	0	109.8	G63 Y64 L73 L75 N76 D227 M228	H61-G63 PolarHBondContact O-N 3.39Å; H61-G63 VanDerWaalsContact O-N 3.11Å; H61-Y64 HydrophobicContact CB-CD2 4.11Å; H61-Y64 PolarHBondContact O-N 2.73Å; H61-L73 HydrophobicContact CB-CB 4.45Å; H61-L73 WeakPolarHBondContact CB-O 3.4Å; H61-L73 PolarHBondContact CD2-O 3.22Å; H61-L73 PolarHBondContact N-O 2.97Å; H61-L75 PolarHBondContact CD2-O 3.49Å; H61-L75 PolarHBondContact NE2-O 2.74Å; H61-N76 PolarHBondContact NE2-OD1 3.18Å; H61-D227 PolarHBondContact CE1-O 2.89Å; H61-D227 VanDerWaalsContact CE1-O 3.29Å; H61-M228 HydrophobicContact CB-CE 3.86Å; H61-M228 VanDerWaalsContact CD2-CE 3.5Å; H61-M228 WeakPolarHBondContact CD2-CE 3.41Å
62	L	93.8	Very high	78.3	Confident	124 Å²	124	90.5 Å²	90.5	65%	0.649	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.8	-18.5	-173.2	-59.5	173.7	0	0	0	114.1	P60 Y64 P72	P60-L62 PolarHBondContact O-N 3.06Å; L62-Y64 PolarHBondContact O-N 3.17Å; L62-P72 HydrophobicContact CD2-CB 4.12Å; L62-P72 HydrophobicContact CD2-CG 3.69Å
63	G	96.7	Very high	80.9	Confident	16 Å²	16	81.9 Å²	81.9	17%	0.165	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	-7.3	176.8	0	0	0	0	0	114.9	H61 T188 T189 R192	H61-G63 PolarHBondContact O-N 3.39Å; H61-G63 VanDerWaalsContact O-N 3.11Å; G63-T188 WeakPolarHBondContact O-CA 3.16Å; G63-T189 PolarHBondContact O-N 3.5Å; G63-T189 PolarHBondContact O-OG1 3.33Å; G63-R192 WeakPolarHBondContact O-CB 3.39Å
64	Y	97.9	Very high	83.6	Confident	4 Å²	4	81 Å²	81	2%	0.016	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	121.1	-175.8	-49.4	-80.7	0	0	0	109.7	H61 L62 P72 L73 V153 A187 T188 R192 L224 M228	H61-Y64 HydrophobicContact CB-CD2 4.11Å; H61-Y64 PolarHBondContact O-N 2.73Å; L62-Y64 PolarHBondContact O-N 3.17Å; Y64-P72 CarbonylContact O-C 3.51Å; Y64-P72 WeakPolarHBondContact O-CA 3.35Å; Y64-L73 PolarHBondContact O-N 3.42Å; Y64-V153 HydrophobicContact CD1-CG1 3.46Å; Y64-V153 VanDerWaalsContact CD1-CG1 3.46Å; Y64-V153 HydrophobicContact CE1-CG1 3.92Å; Y64-V153 HydrophobicContact CG-CG1 4.3Å; Y64-A187 WeakPolarHBondContact CA-O 3.22Å; Y64-T188 HydrophobicContact CD1-CG2 4.22Å; Y64-T188 HydrophobicContact CE1-CG2 3.88Å; Y64-R192 HydrophobicContact CE1-CG 4.06Å; Y64-R192 HydrophobicContact CE2-CG 4.29Å; Y64-R192 PolarHBondContact OH-NE 3.44Å; Y64-L224 HydrophobicContact CD1-CD1 4.18Å; Y64-L224 HydrophobicContact CD2-CD1 3.79Å; Y64-L224 HydrophobicContact CE1-CD1 3.76Å; Y64-L224 HydrophobicContact CE2-CD1 3.35Å; Y64-L224 HydrophobicContact CG-CD1 4.19Å; Y64-M228 HydrophobicContact CD2-CE 4.05Å; Y64-M228 HydrophobicContact CE2-CE 4.32Å
65	V	97.9	Very high	86.1	Confident	14 Å²	14	77.9 Å²	77.9	9%	0.085	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	140.1	-170.4	-65.2	0	0	0	0	112	E71 Y186 A187 T189	V65-E71 CarbonylContact C-O 3.34Å; V65-E71 WeakPolarHBondContact CA-O 3.45Å; V65-Y186 VanDerWaalsContact C-CD1 3.46Å; V65-Y186 CarbonylContact O-C 3.6Å; V65-Y186 WeakPolarHBondContact O-CA 3.2Å; V65-A187 PolarHBondContact N-O 3.42Å; V65-A187 PolarHBondContact O-N 2.66Å; V65-T189 HydrophobicContact CG1-CG2 3.88Å; V65-T189 HydrophobicContact CG2-CG2 3.98Å
66	S	97.6	Very high	88.4	Confident	12 Å²	12	70.9 Å²	70.9	8%	0.084	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	149.9	-177.2	65.3	0	0	0	0	112.3	P68 K69 Q70 E71 I185 Y186	S66-P68 CarbonylContact O-C 3.59Å; S66-K69 PolarHBondContact O-N 3.31Å; S66-Q70 WeakPolarHBondContact O-CA 3.49Å; S66-Q70 PolarHBondContact O-N 3.48Å; S66-Q70 PolarHBondContact O-NE2 3.35Å; S66-E71 PolarHBondContact N-O 2.76Å; S66-E71 WeakPolarHBondContact OG-CB 3.43Å; S66-E71 PolarHBondContact OG-N 2.97Å; S66-I185 CarbonylContact C-O 3.54Å; S66-I185 WeakPolarHBondContact CA-O 3.43Å; S66-Y186 VanDerWaalsContact N-CD1 3.32Å
67	I	96.1	Very high	90.5	Very high	7 Å²	7	62.7 Å²	62.7	4%	0.036	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	130.6	174.1	-60.5	179.5	0	0	0	109.4	Y170 L173 R174 S177 I185 A187	I67-Y170 HydrophobicContact CD1-CD2 4.06Å; I67-Y170 HydrophobicContact CD1-CE2 3.9Å; I67-Y170 HydrophobicContact CG1-CE2 3.92Å; I67-Y170 HydrophobicContact CG2-CE2 4.45Å; I67-L173 HydrophobicContact CD1-CB 3.64Å; I67-L173 HydrophobicContact CD1-CD1 3.77Å; I67-L173 HydrophobicContact CD1-CG 4.35Å; I67-R174 HydrophobicContact CG2-CB 4.11Å; I67-S177 PolarHBondContact O-OG 2.99Å; I67-I185 HydrophobicContact CD1-CG2 4.16Å; I67-I185 PolarHBondContact N-O 3.18Å; I67-A187 HydrophobicContact CD1-CB 4.1Å; I67-A187 HydrophobicContact CG1-CB 4.31Å
68	P	94.3	Very high	92.3	Very high	59 Å²	59	64 Å²	64	38%	0.383	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	cis	-85.9	-9.9	-6.6	33.1	-34.4	0	0	0	113.9	S66 Q70	S66-P68 CarbonylContact O-C 3.59Å; P68-Q70 WeakPolarHBondContact O-CG 3.27Å; P68-Q70 PolarHBondContact O-N 2.89Å; P68-Q70 VanDerWaalsContact O-N 3.07Å; P68-Q70 PolarHBondContact O-NE2 3.41Å; P68-Q70 VanDerWaalsContact O-NE2 3.14Å
69	K	95.3	Very high	94	Very high	158 Å²	158	59.8 Å²	59.8	69%	0.687	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-13.3	-162.7	-59.2	-177.5	-178.7	177.9	0	116.3	S66 E71	S66-K69 PolarHBondContact O-N 3.31Å; K69-E71 HydrophobicContact CB-CG 4.09Å; K69-E71 PolarHBondContact O-N 2.94Å
70	Q	95.8	Very high	95	Very high	65 Å²	65	52.1 Å²	52.1	30%	0.304	27%	0.267	S	S	.	.			trans	61.6	24.5	-179.1	-53.5	-56.9	-68.3	0	0	114.8	S66 P68 Y170	S66-Q70 WeakPolarHBondContact O-CA 3.49Å; S66-Q70 PolarHBondContact O-N 3.48Å; S66-Q70 PolarHBondContact O-NE2 3.35Å; P68-Q70 WeakPolarHBondContact O-CG 3.27Å; P68-Q70 PolarHBondContact O-N 2.89Å; P68-Q70 VanDerWaalsContact O-N 3.07Å; P68-Q70 PolarHBondContact O-NE2 3.41Å; P68-Q70 VanDerWaalsContact O-NE2 3.14Å; Q70-Y170 PolarHBondContact NE2-OH 3.25Å
71	E	96.7	Very high	95.6	Very high	110 Å²	110	49.2 Å²	49.2	51%	0.514	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-81	135.7	178.5	-63.9	175.6	164.5	0	0	110.4	V65 S66 K69	V65-E71 CarbonylContact C-O 3.34Å; V65-E71 WeakPolarHBondContact CA-O 3.45Å; S66-E71 PolarHBondContact N-O 2.76Å; S66-E71 WeakPolarHBondContact OG-CB 3.43Å; S66-E71 PolarHBondContact OG-N 2.97Å; K69-E71 HydrophobicContact CB-CG 4.09Å; K69-E71 PolarHBondContact O-N 2.94Å
72	P	97	Very high	95.9	Very high	39 Å²	39	48.3 Å²	48.3	25%	0.253	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	143.6	178.7	-24.9	34.4	0	0	0	112.8	P60 L62 Y64 K74	P60-P72 HydrophobicContact CB-CB 3.83Å; P60-P72 HydrophobicContact CB-CG 4.42Å; L62-P72 HydrophobicContact CD2-CB 4.12Å; L62-P72 HydrophobicContact CD2-CG 3.69Å; Y64-P72 CarbonylContact O-C 3.51Å; Y64-P72 WeakPolarHBondContact O-CA 3.35Å; P72-K74 PolarHBondContact O-N 3.32Å
73	L	95.7	Very high	96.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	130.3	173.3	179.5	53.4	0	0	0	110.2	H61 Y64 L75 V151 V153 Y186 M228	H61-L73 HydrophobicContact CB-CB 4.45Å; H61-L73 WeakPolarHBondContact CB-O 3.4Å; H61-L73 PolarHBondContact CD2-O 3.22Å; H61-L73 PolarHBondContact N-O 2.97Å; Y64-L73 PolarHBondContact O-N 3.42Å; L73-L75 HydrophobicContact CD1-CB 4.21Å; L73-L75 HydrophobicContact CG-CB 4.24Å; L73-V151 HydrophobicContact CD1-CG1 4.07Å; L73-V153 HydrophobicContact CD2-CG2 3.89Å; L73-Y186 HydrophobicContact CB-CD1 3.78Å; L73-Y186 HydrophobicContact CB-CE1 3.77Å; L73-Y186 HydrophobicContact CB-CG 4.48Å; L73-Y186 HydrophobicContact CD1-CD1 4.25Å; L73-Y186 HydrophobicContact CD1-CD2 4.23Å; L73-Y186 HydrophobicContact CD1-CE1 3.89Å; L73-Y186 HydrophobicContact CD1-CE2 3.84Å; L73-Y186 HydrophobicContact CD1-CG 4.43Å; L73-Y186 HydrophobicContact CG-CD1 4.46Å; L73-Y186 HydrophobicContact CG-CE1 4.4Å; L73-M228 HydrophobicContact CD2-CE 3.44Å; L73-M228 VanDerWaalsContact CD2-CE 3.44Å; L73-M228 HydrophobicContact CD2-SD 4.2Å; L73-M228 HydrophobicContact CG-CE 3.91Å
74	K	93.6	Very high	96.2	Very high	136 Å²	136	42.2 Å²	42.2	59%	0.591	21%	0.209	S	C	*	.			trans	-115.3	98.9	174.1	-62.3	175.5	-173.6	173.8	0	107.8	P72	P72-K74 PolarHBondContact O-N 3.32Å
75	L	90.6	Very high	96.2	Very high	31 Å²	31	42.6 Å²	42.6	16%	0.162	21%	0.213	C	C	.	.			trans	-147.6	124.8	179.1	-175.4	68.1	0	0	0	109	H61 L73 W105 L125 M228	H61-L75 PolarHBondContact CD2-O 3.49Å; H61-L75 PolarHBondContact NE2-O 2.74Å; L73-L75 HydrophobicContact CD1-CB 4.21Å; L73-L75 HydrophobicContact CG-CB 4.24Å; L75-W105 HydrophobicContact CD2-CZ2 4.02Å; L75-L125 HydrophobicContact CD2-CD1 3.51Å; L75-M228 HydrophobicContact CB-SD 4.01Å; L75-M228 HydrophobicContact CD2-SD 3.7Å; L75-M228 HydrophobicContact CG-SD 4.21Å
76	N	92	Very high	96.2	Very high	73 Å²	73	42.1 Å²	42.1	39%	0.39	21%	0.21	S	C	.	.			trans	-133.8	140	163.3	-66.6	-29.1	0	0	0	108.1	F58 H61 M228	F58-N76 HydrophobicContact CD1-CB 3.69Å; F58-N76 WeakPolarHBondContact CD1-ND2 3.48Å; F58-N76 HydrophobicContact CE1-CB 3.76Å; H61-N76 PolarHBondContact NE2-OD1 3.18Å; N76-M228 CarbonylContact C-O 3.54Å; N76-M228 WeakPolarHBondContact CA-O 3.18Å
77	C	94.4	Very high	96.2	Very high	7 Å²	7	41.5 Å²	41.5	5%	0.047	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	136.4	-177.8	-68.2	0	0	0	0	109.9	C80 C103 M228 C229 K230	C77-C80 WeakPolarHBondContact CB-SG 3.48Å; C77-C103 HydrophobicContact CB-CB 3.7Å; C77-C103 WeakPolarHBondContact CB-SG 3.3Å; C77-C103 WeakPolarHBondContact SG-CB 3.4Å; C77-C103 CovalentContact SG-SG 2.02Å; C77-C103 PolarHBondContact SG-SG 2.98Å; C77-M228 PolarHBondContact N-O 2.88Å; C77-C229 VanDerWaalsContact O-CA 3.31Å; C77-C229 WeakPolarHBondContact O-CA 3.32Å; C77-K230 PolarHBondContact O-N 2.83Å
78	E	95.3	Very high	96.3	Very high	121 Å²	121	41.4 Å²	41.4	57%	0.565	21%	0.205	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-67.7	-43.7	173.7	-64.7	-62.6	139	0	0	110.9	K230 E231	E78-K230 WeakPolarHBondContact O-CB 3.49Å; E78-K230 WeakPolarHBondContact OE1-CE 3.42Å; E78-K230 IonicContact OE1-NZ 3.66Å; E78-K230 PolarHBondContact OE1-NZ 2.82Å; E78-K230 VanDerWaalsContact OE2-CD 3.24Å; E78-K230 WeakPolarHBondContact OE2-CD 3.39Å; E78-K230 VanDerWaalsContact OE2-CE 3.24Å; E78-K230 WeakPolarHBondContact OE2-CE 3.4Å; E78-K230 IonicContact OE2-NZ 3.79Å; E78-K230 PolarHBondContact OE2-NZ 3.25Å; E78-E231 PolarHBondContact O-N 3.1Å
79	L	98	Very high	96.5	Very high	36 Å²	36	38.6 Å²	38.6	19%	0.188	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	129.3	178.1	173.3	64.3	0	0	0	110.4	P102 C103 E231 H233	L79-P102 HydrophobicContact CB-CG 4.13Å; L79-P102 WeakPolarHBondContact O-CG 3.32Å; L79-C103 PolarHBondContact O-N 3.05Å; L79-E231 WeakPolarHBondContact CA-O 3.32Å; L79-E231 HydrophobicContact CD1-CB 3.94Å; L79-E231 HydrophobicContact CD1-CG 3.78Å; L79-H233 HydrophobicContact CD1-CB 4.49Å
80	C	98.6	Very high	96.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	122.3	172.2	-65.3	0	0	0	0	110.2	C77 C103 C229 E231 I232 H233	C77-C80 WeakPolarHBondContact CB-SG 3.48Å; C80-C103 WeakPolarHBondContact CA-O 3.46Å; C80-C229 HydrophobicContact CB-CB 3.72Å; C80-C229 WeakPolarHBondContact CB-SG 3.5Å; C80-C229 WeakPolarHBondContact SG-CB 3.39Å; C80-C229 CovalentContact SG-SG 2.02Å; C80-C229 PolarHBondContact SG-SG 2.77Å; C80-E231 PolarHBondContact N-O 3.09Å; C80-I232 WeakPolarHBondContact O-CA 2.92Å; C80-H233 PolarHBondContact O-N 3.39Å
81	S	98.8	Very high	96.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	108.1	166.5	-70.8	0	0	0	0	110	S101 C103 I104 W105 H233	S81-S101 VanDerWaalsContact OG-CB 3.31Å; S81-S101 WeakPolarHBondContact OG-CB 3.33Å; S81-S101 PolarHBondContact OG-OG 3.36Å; S81-C103 PolarHBondContact N-O 3.31Å; S81-I104 CarbonylContact O-C 3.49Å; S81-I104 WeakPolarHBondContact O-CA 3.47Å; S81-W105 PolarHBondContact O-N 3.48Å; S81-H233 CarbonylContact C-O 3.54Å; S81-H233 WeakPolarHBondContact CA-O 3.43Å
82	I	98.8	Very high	96.7	Very high	3 Å²	3	30.7 Å²	30.7	2%	0.015	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	116.7	176.6	-55.4	172	0	0	0	107.8	W105 M107 T221 L222 A225 I232 H233 I234 Y235	I82-W105 HydrophobicContact CG1-CB 4.1Å; I82-W105 HydrophobicContact CG1-CE3 4.38Å; I82-M107 HydrophobicContact CG2-CE 3.72Å; I82-T221 HydrophobicContact CD1-CG2 4.18Å; I82-T221 HydrophobicContact CG2-CG2 3.88Å; I82-L222 HydrophobicContact CD1-CD1 4.32Å; I82-A225 HydrophobicContact CD1-CB 3.68Å; I82-I232 HydrophobicContact CD1-CG2 3.52Å; I82-I232 HydrophobicContact CG1-CG2 4.23Å; I82-H233 PolarHBondContact N-O 2.72Å; I82-I234 HydrophobicContact CB-CG1 4.39Å; I82-I234 HydrophobicContact CD1-CG1 4.32Å; I82-I234 WeakPolarHBondContact O-CA 3.35Å; I82-Y235 PolarHBondContact O-N 3.01Å
83	V	98.8	Very high	96.7	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.012	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	111.1	176.1	-170.4	0	0	0	0	108.1	M89 I98 I104 W105 V119	V83-M89 HydrophobicContact CG1-CE 4.3Å; V83-M89 HydrophobicContact CG1-CG 4.44Å; V83-M89 HydrophobicContact CG1-SD 4.49Å; V83-I98 HydrophobicContact CG2-CD1 3.93Å; V83-I98 HydrophobicContact CG2-CG1 4.37Å; V83-I98 HydrophobicContact CG2-CG2 3.73Å; V83-I104 HydrophobicContact CG2-CG2 4.42Å; V83-W105 PolarHBondContact N-O 2.59Å; V83-V119 HydrophobicContact CG1-CB 4.13Å; V83-V119 HydrophobicContact CG1-CG1 4.41Å
84	S	98.1	Very high	96.9	Very high	9 Å²	9	31.9 Å²	31.9	6%	0.063	18%	0.183	C	C	.	.			trans	-68.1	164.6	173.9	74.2	0	0	0	0	111.1	S86 Y235 G236	S84-S86 VanDerWaalsContact C-N 3.27Å; S84-S86 PolarHBondContact O-N 3.25Å; S84-Y235 WeakPolarHBondContact CB-O 3.46Å; S84-Y235 PolarHBondContact N-O 3.37Å; S84-Y235 PolarHBondContact OG-O 3.42Å; S84-G236 WeakPolarHBondContact OG-CA 3.38Å; S84-G236 PolarHBondContact OG-O 2.88Å
85	S	98	Very high	97.1	Very high	13 Å²	13	25.4 Å²	25.4	9%	0.091	16%	0.156	C	C	.	.			trans	-82.3	-2.5	177.3	-63.8	0	0	0	0	114	A110 H254 Y255	S85-A110 WeakPolarHBondContact OG-CB 3.47Å; S85-H254 VanDerWaalsContact CB-CD2 3.42Å; S85-H254 WeakPolarHBondContact CB-CD2 3.47Å; S85-H254 CarbonylContact O-C 3.09Å; S85-H254 WeakPolarHBondContact O-CA 3.04Å; S85-Y255 VanDerWaalsContact O-CD1 3.22Å; S85-Y255 WeakPolarHBondContact O-CD1 3.1Å; S85-Y255 PolarHBondContact O-N 3.26Å
86	S	97.9	Very high	97.5	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.021	17%	0.174	C	C	.	.			trans	-61.7	147.2	-170.6	175.2	0	0	0	0	114	S84 Q88 M89 G236 Y253 E263	S84-S86 VanDerWaalsContact C-N 3.27Å; S84-S86 PolarHBondContact O-N 3.25Å; S86-Q88 PolarHBondContact O-N 3.27Å; S86-Q88 VanDerWaalsContact O-N 3.15Å; S86-Q88 VanDerWaalsContact OG-CG 3.31Å; S86-Q88 WeakPolarHBondContact OG-CG 3.38Å; S86-Q88 PolarHBondContact OG-N 3.21Å; S86-M89 PolarHBondContact O-N 3.12Å; S86-G236 WeakPolarHBondContact CB-O 3.42Å; S86-G236 PolarHBondContact OG-O 3.44Å; S86-Y253 WeakPolarHBondContact CA-O 3.44Å; S86-E263 WeakPolarHBondContact CB-OE1 3.2Å; S86-E263 PolarHBondContact OG-OE1 2.9Å; S86-E263 PolarHBondContact OG-OE2 3.44Å
87	G	97.8	Very high	97.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-60.9	-13.3	169.1	0	0	0	0	0	114.9	M89 L90 P252	G87-M89 PolarHBondContact O-N 3.09Å; G87-M89 VanDerWaalsContact O-N 3.09Å; G87-L90 WeakPolarHBondContact O-CB 3.48Å; G87-L90 PolarHBondContact O-N 3.29Å; G87-P252 WeakPolarHBondContact CA-O 3.31Å; G87-P252 PolarHBondContact N-O 3.04Å; G87-P252 VanDerWaalsContact N-O 3.16Å
88	Q	97.6	Very high	98	Very high	5 Å²	5	27.4 Å²	27.4	2%	0.023	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-57.8	-23.6	173.3	-65.2	-61	-18.8	0	0	113	S86 L90 Q92 I238 V251 E263	S86-Q88 PolarHBondContact O-N 3.27Å; S86-Q88 VanDerWaalsContact O-N 3.15Å; S86-Q88 VanDerWaalsContact OG-CG 3.31Å; S86-Q88 WeakPolarHBondContact OG-CG 3.38Å; S86-Q88 PolarHBondContact OG-N 3.21Å; Q88-L90 PolarHBondContact O-N 3.47Å; Q88-Q92 WeakPolarHBondContact O-CG 3.35Å; Q88-Q92 PolarHBondContact O-NE2 3.22Å; Q88-I238 HydrophobicContact CG-CG2 3.56Å; Q88-V251 HydrophobicContact CG-CG2 4.19Å; Q88-E263 WeakPolarHBondContact CG-OE2 3.43Å; Q88-E263 PolarHBondContact NE2-OE2 3.04Å
89	M	98.2	Very high	98.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-68.2	-20.4	176.1	-69.7	-55.2	-57.6	0	0	113.8	V83 S86 G87 G91 Q92 A94 I98 D118 V119 G236 Y255	V83-M89 HydrophobicContact CG1-CE 4.3Å; V83-M89 HydrophobicContact CG1-CG 4.44Å; V83-M89 HydrophobicContact CG1-SD 4.49Å; S86-M89 PolarHBondContact O-N 3.12Å; G87-M89 PolarHBondContact O-N 3.09Å; G87-M89 VanDerWaalsContact O-N 3.09Å; M89-G91 PolarHBondContact O-N 3.07Å; M89-Q92 WeakPolarHBondContact O-CB 3.34Å; M89-Q92 VanDerWaalsContact O-CG 3.24Å; M89-Q92 WeakPolarHBondContact O-CG 3.4Å; M89-Q92 PolarHBondContact O-N 3.14Å; M89-A94 HydrophobicContact CE-CB 4.22Å; M89-I98 HydrophobicContact CE-CD1 3.85Å; M89-D118 WeakPolarHBondContact CE-O 3.45Å; M89-D118 VanDerWaalsContact O-CB 3.27Å; M89-D118 WeakPolarHBondContact O-CB 3.15Å; M89-V119 HydrophobicContact CB-CG1 3.91Å; M89-V119 HydrophobicContact CE-CG1 4.16Å; M89-V119 HydrophobicContact CG-CG1 4.28Å; M89-G236 VanDerWaalsContact SD-CA 3.51Å; M89-G236 PolarHBondContact SD-N 2.86Å; M89-G236 VanDerWaalsContact SD-N 3.42Å; M89-Y255 HydrophobicContact CB-CD1 4.23Å; M89-Y255 HydrophobicContact CG-CD1 4.44Å
90	L	97.5	Very high	98.1	Very high	47 Å²	47	31.3 Å²	31.3	25%	0.246	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	123.5	-175.1	-69.7	171	0	0	0	112.5	G87 Q88 Q92 F115 R249 P252	G87-L90 WeakPolarHBondContact O-CB 3.48Å; G87-L90 PolarHBondContact O-N 3.29Å; Q88-L90 PolarHBondContact O-N 3.47Å; L90-Q92 VanDerWaalsContact C-N 3.33Å; L90-F115 HydrophobicContact CD2-CD1 4.18Å; L90-F115 HydrophobicContact CD2-CE1 4.1Å; L90-R249 PolarHBondContact O-NH2 3.06Å; L90-P252 HydrophobicContact CD1-CG 3.65Å
91	G	96.9	Very high	98	Very high	63 Å²	63	31.6 Å²	31.6	65%	0.649	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.2	15.6	178.9	0	0	0	0	0	114.5	M89 D118	M89-G91 PolarHBondContact O-N 3.07Å; G91-D118 VanDerWaalsContact N-CG 3.32Å; G91-D118 PolarHBondContact N-OD1 2.81Å; G91-D118 PolarHBondContact N-OD2 2.82Å
92	Q	97.1	Very high	97.9	Very high	57 Å²	57	34.9 Å²	34.9	27%	0.266	21%	0.206	S	C	.	.			trans	-84	-16.2	-177.7	-60.8	-63.6	-24.5	0	0	113.6	Q88 M89 L90 A94 D118 N300	Q88-Q92 WeakPolarHBondContact O-CG 3.35Å; Q88-Q92 PolarHBondContact O-NE2 3.22Å; M89-Q92 WeakPolarHBondContact O-CB 3.34Å; M89-Q92 VanDerWaalsContact O-CG 3.24Å; M89-Q92 WeakPolarHBondContact O-CG 3.4Å; M89-Q92 PolarHBondContact O-N 3.14Å; L90-Q92 VanDerWaalsContact C-N 3.33Å; Q92-A94 HydrophobicContact CB-CB 4.27Å; Q92-A94 PolarHBondContact O-N 2.84Å; Q92-D118 PolarHBondContact N-OD1 2.81Å; Q92-D118 VanDerWaalsContact N-OD1 3.13Å; Q92-N300 HydrophobicContact CB-CB 4.48Å; Q92-N300 HydrophobicContact CG-CB 3.95Å
93	A	98.1	Very high	97.9	Very high	58 Å²	58	35.5 Å²	35.5	48%	0.479	21%	0.21	S	C	.	.			trans	51.3	27	-176.1	0	0	0	0	0	114.3	G95 N117 D118	A93-G95 VanDerWaalsContact C-N 3.29Å; A93-G95 PolarHBondContact O-N 3.26Å; A93-N117 CarbonylContact C-O 3.58Å; A93-N117 VanDerWaalsContact CA-O 3.25Å; A93-N117 WeakPolarHBondContact CA-O 3.46Å; A93-D118 PolarHBondContact N-OD1 3.32Å
94	A	98.4	Very high	97.9	Very high	5 Å²	5	35.4 Å²	35.4	4%	0.041	21%	0.209	C	C	.	.			trans	-82.4	-4.6	-173.1	0	0	0	0	0	113.5	M89 Q92 A96 Q97 I98 N117 D118 Y235 N300	M89-A94 HydrophobicContact CE-CB 4.22Å; Q92-A94 HydrophobicContact CB-CB 4.27Å; Q92-A94 PolarHBondContact O-N 2.84Å; A94-A96 VanDerWaalsContact C-N 3.34Å; A94-A96 PolarHBondContact O-N 3.14Å; A94-Q97 WeakPolarHBondContact O-CB 3.49Å; A94-Q97 PolarHBondContact O-N 3.39Å; A94-I98 HydrophobicContact CB-CD1 4.07Å; A94-I98 WeakPolarHBondContact O-CG1 3.33Å; A94-I98 PolarHBondContact O-N 3.25Å; A94-N117 PolarHBondContact N-O 2.75Å; A94-D118 CarbonylContact C-O 3.55Å; A94-Y235 HydrophobicContact CB-CD1 4.46Å; A94-N300 WeakPolarHBondContact CB-ND2 3.1Å
95	G	98.6	Very high	97.9	Very high	1 Å²	1	35 Å²	35	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-59.5	-41.1	-171.2	0	0	0	0	0	113.6	A93 Q97 I98 D99 N117 D118 G120	A93-G95 VanDerWaalsContact C-N 3.29Å; A93-G95 PolarHBondContact O-N 3.26Å; G95-Q97 VanDerWaalsContact C-N 3.32Å; G95-Q97 PolarHBondContact O-N 3.2Å; G95-I98 PolarHBondContact O-N 3.49Å; G95-D99 WeakPolarHBondContact O-CB 3.35Å; G95-D99 PolarHBondContact O-N 3.25Å; G95-N117 WeakPolarHBondContact CA-O 3.49Å; G95-N117 PolarHBondContact N-O 2.85Å; G95-D118 PolarHBondContact N-O 2.98Å; G95-G120 VanDerWaalsContact CA-CA 3.5Å
96	A	98.4	Very high	97.9	Very high	67 Å²	67	34.4 Å²	34.4	55%	0.554	20%	0.202	S	C	*	.	H	α-helix	trans	-66.4	-32.6	177.5	0	0	0	0	0	112.9	A94 R100	A94-A96 VanDerWaalsContact C-N 3.34Å; A94-A96 PolarHBondContact O-N 3.14Å; A96-R100 WeakPolarHBondContact O-CG 3.17Å
97	Q	98.2	Very high	97.9	Very high	85 Å²	85	34.9 Å²	34.9	40%	0.397	20%	0.204	S	C	.	.	H	α-helix	trans	-72.1	-46.5	175	176.5	-179.3	-18.4	0	0	110.7	A94 G95 D99 R100 Y235	A94-Q97 WeakPolarHBondContact O-CB 3.49Å; A94-Q97 PolarHBondContact O-N 3.39Å; G95-Q97 VanDerWaalsContact C-N 3.32Å; G95-Q97 PolarHBondContact O-N 3.2Å; Q97-D99 VanDerWaalsContact C-N 3.32Å; Q97-D99 PolarHBondContact O-N 3.4Å; Q97-R100 WeakPolarHBondContact O-CB 3.36Å; Q97-R100 PolarHBondContact O-N 3.44Å; Q97-Y235 PolarHBondContact NE2-OH 3.02Å
98	I	98.6	Very high	98	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-58.6	-45.4	178	-68.5	162.2	0	0	0	110.6	V83 M89 A94 G95 R100 S101 I104 Y235	V83-I98 HydrophobicContact CG2-CD1 3.93Å; V83-I98 HydrophobicContact CG2-CG1 4.37Å; V83-I98 HydrophobicContact CG2-CG2 3.73Å; M89-I98 HydrophobicContact CE-CD1 3.85Å; A94-I98 HydrophobicContact CB-CD1 4.07Å; A94-I98 WeakPolarHBondContact O-CG1 3.33Å; A94-I98 PolarHBondContact O-N 3.25Å; G95-I98 PolarHBondContact O-N 3.49Å; I98-R100 PolarHBondContact O-N 3.3Å; I98-R100 VanDerWaalsContact O-N 3.13Å; I98-S101 WeakPolarHBondContact O-CB 3.48Å; I98-S101 PolarHBondContact O-N 3.21Å; I98-I104 HydrophobicContact CG2-CD1 4.43Å; I98-I104 HydrophobicContact CG2-CG1 4.3Å; I98-I104 HydrophobicContact CG2-CG2 3.81Å; I98-I104 VanDerWaalsContact O-CD1 3.32Å; I98-I104 WeakPolarHBondContact O-CD1 3.43Å; I98-I104 WeakPolarHBondContact O-CG1 3.32Å; I98-Y235 HydrophobicContact CD1-CD1 4.13Å; I98-Y235 HydrophobicContact CD1-CD2 4.48Å; I98-Y235 HydrophobicContact CD1-CG 4.08Å; I98-Y235 HydrophobicContact CG1-CD1 3.97Å; I98-Y235 HydrophobicContact CG1-CD2 4.01Å; I98-Y235 HydrophobicContact CG1-CE1 3.97Å; I98-Y235 HydrophobicContact CG1-CE2 4.01Å; I98-Y235 HydrophobicContact CG1-CG 4.01Å
99	D	98.3	Very high	97.9	Very high	35 Å²	35	37.8 Å²	37.8	19%	0.187	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-9.7	-176.4	-80.3	-17.3	0	0	0	114.1	G95 Q97 S101 R121 R122	G95-D99 WeakPolarHBondContact O-CB 3.35Å; G95-D99 PolarHBondContact O-N 3.25Å; Q97-D99 VanDerWaalsContact C-N 3.32Å; Q97-D99 PolarHBondContact O-N 3.4Å; D99-S101 VanDerWaalsContact C-N 3.34Å; D99-R121 VanDerWaalsContact CG-N 3.34Å; D99-R121 PolarHBondContact OD1-N 2.87Å; D99-R121 PolarHBondContact OD2-N 3.17Å; D99-R122 PolarHBondContact O-NH1 2.8Å; D99-R122 WeakPolarHBondContact OD1-CB 3.33Å; D99-R122 PolarHBondContact OD1-N 3.16Å
100	R	97.4	Very high	97.9	Very high	205 Å²	205	37.8 Å²	37.8	77%	0.774	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-19.5	171.7	-69.7	168.7	-171.1	-177.9	1.2	112.9	A96 Q97 I98	A96-R100 WeakPolarHBondContact O-CG 3.17Å; Q97-R100 WeakPolarHBondContact O-CB 3.36Å; Q97-R100 PolarHBondContact O-N 3.44Å; I98-R100 PolarHBondContact O-N 3.3Å; I98-R100 VanDerWaalsContact O-N 3.13Å
101	S	97.4	Very high	97.9	Very high	5 Å²	5	37.1 Å²	37.1	4%	0.035	22%	0.218	C	C	.	.	S	Bend	trans	-69.9	145.5	-178.1	-68.3	0	0	0	0	111.9	S81 I98 D99 C103 R122	S81-S101 VanDerWaalsContact OG-CB 3.31Å; S81-S101 WeakPolarHBondContact OG-CB 3.33Å; S81-S101 PolarHBondContact OG-OG 3.36Å; I98-S101 WeakPolarHBondContact O-CB 3.48Å; I98-S101 PolarHBondContact O-N 3.21Å; D99-S101 VanDerWaalsContact C-N 3.34Å; S101-C103 VanDerWaalsContact C-N 3.33Å; S101-R122 PolarHBondContact O-NH1 3.14Å
102	P	96.3	Very high	97.9	Very high	70 Å²	70	35 Å²	35	46%	0.455	19%	0.193	S	C	.	.	S	Bend	trans	-69.6	-33.8	178.1	26.6	-31.4	0	0	0	111.4	L79	L79-P102 HydrophobicContact CB-CG 4.13Å; L79-P102 WeakPolarHBondContact O-CG 3.32Å
103	C	97.7	Very high	97.8	Very high	15 Å²	15	42.1 Å²	42.1	10%	0.101	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	125.8	177.4	-60.2	0	0	0	0	110.6	C77 L79 C80 S81 S101 T124	C77-C103 HydrophobicContact CB-CB 3.7Å; C77-C103 WeakPolarHBondContact CB-SG 3.3Å; C77-C103 WeakPolarHBondContact SG-CB 3.4Å; C77-C103 CovalentContact SG-SG 2.02Å; C77-C103 PolarHBondContact SG-SG 2.98Å; L79-C103 PolarHBondContact O-N 3.05Å; C80-C103 WeakPolarHBondContact CA-O 3.46Å; S81-C103 PolarHBondContact N-O 3.31Å; S101-C103 VanDerWaalsContact C-N 3.33Å; C103-T124 WeakPolarHBondContact CA-OG1 3.33Å
104	I	98.4	Very high	97.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	113.3	-176.9	-61.6	159.2	0	0	0	108.7	S81 V83 I98 R122 T124 L125	S81-I104 CarbonylContact O-C 3.49Å; S81-I104 WeakPolarHBondContact O-CA 3.47Å; V83-I104 HydrophobicContact CG2-CG2 4.42Å; I98-I104 HydrophobicContact CG2-CD1 4.43Å; I98-I104 HydrophobicContact CG2-CG1 4.3Å; I98-I104 HydrophobicContact CG2-CG2 3.81Å; I98-I104 VanDerWaalsContact O-CD1 3.32Å; I98-I104 WeakPolarHBondContact O-CD1 3.43Å; I98-I104 WeakPolarHBondContact O-CG1 3.32Å; I104-R122 HydrophobicContact CD1-CB 3.58Å; I104-R122 WeakPolarHBondContact CG2-O 3.24Å; I104-T124 PolarHBondContact N-OG1 3.13Å; I104-T124 PolarHBondContact O-N 2.99Å; I104-T124 PolarHBondContact O-OG1 2.83Å; I104-T124 VanDerWaalsContact O-OG1 3.07Å; I104-L125 PolarHBondContact O-N 2.99Å
105	W	98.6	Very high	97.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	136.7	-171.1	-67.4	22.1	0	0	0	109.7	L75 S81 I82 V83 L125 T221 L224 A225 M228	L75-W105 HydrophobicContact CD2-CZ2 4.02Å; S81-W105 PolarHBondContact O-N 3.48Å; I82-W105 HydrophobicContact CG1-CB 4.1Å; I82-W105 HydrophobicContact CG1-CE3 4.38Å; V83-W105 PolarHBondContact N-O 2.59Å; W105-L125 CarbonylContact C-O 3.22Å; W105-L125 VanDerWaalsContact CA-O 3.29Å; W105-L125 WeakPolarHBondContact CA-O 3.46Å; W105-L125 HydrophobicContact CD2-CB 4.26Å; W105-L125 HydrophobicContact CD2-CD2 3.9Å; W105-L125 HydrophobicContact CD2-CG 4.47Å; W105-L125 HydrophobicContact CE3-CD2 4.01Å; W105-L125 HydrophobicContact CG-CB 4Å; W105-L125 HydrophobicContact CG-CD2 4.21Å; W105-L125 HydrophobicContact CZ2-CD1 4.11Å; W105-L125 HydrophobicContact CZ3-CD2 4.45Å; W105-T221 HydrophobicContact CE3-CG2 3.93Å; W105-T221 HydrophobicContact CZ3-CG2 4.49Å; W105-L224 HydrophobicContact CE3-CD2 4.49Å; W105-L224 HydrophobicContact CH2-CB 4.4Å; W105-L224 HydrophobicContact CH2-CD2 4.05Å; W105-L224 HydrophobicContact CH2-CG 3.68Å; W105-L224 HydrophobicContact CZ3-CB 4.01Å; W105-L224 HydrophobicContact CZ3-CD2 3.75Å; W105-L224 HydrophobicContact CZ3-CG 3.63Å; W105-A225 HydrophobicContact CE3-CB 4.14Å; W105-A225 VanDerWaalsContact CH2-CA 3.46Å; W105-A225 HydrophobicContact CH2-CB 4.01Å; W105-A225 VanDerWaalsContact CZ3-CA 3.41Å; W105-A225 HydrophobicContact CZ3-CB 3.55Å; W105-M228 HydrophobicContact CH2-CB 4.06Å; W105-M228 HydrophobicContact CH2-CG 4.47Å; W105-M228 HydrophobicContact CH2-SD 3.95Å; W105-M228 HydrophobicContact CZ2-CB 4.14Å; W105-M228 HydrophobicContact CZ2-SD 4.19Å
106	R	98.6	Very high	97.8	Very high	1 Å²	1	47.4 Å²	47.4	0%	0.004	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	166.6	175.5	-60.6	-174.5	-169.8	-84.3	-7.6	110.1	V119 G120 R122 T123 L125 R126 V127	R106-V119 VanDerWaalsContact CZ-O 3.28Å; R106-V119 PolarHBondContact NH1-O 3.36Å; R106-V119 PolarHBondContact NH2-O 3.46Å; R106-G120 PolarHBondContact NH2-O 2.83Å; R106-R122 PolarHBondContact NE-O 3.11Å; R106-R122 PolarHBondContact NH2-O 3.41Å; R106-T123 HydrophobicContact CB-CG2 4.28Å; R106-T123 VanDerWaalsContact CD-OG1 3.3Å; R106-T123 WeakPolarHBondContact CD-OG1 3.41Å; R106-T123 HydrophobicContact CG-CG2 4.09Å; R106-T123 PolarHBondContact NE-OG1 3.21Å; R106-L125 PolarHBondContact N-O 3.11Å; R106-R126 HydrophobicContact CB-CG 4.31Å; R106-R126 VanDerWaalsContact O-CA 3.26Å; R106-R126 WeakPolarHBondContact O-CA 3.5Å; R106-V127 PolarHBondContact O-N 2.79Å
107	M	98.6	Very high	97.8	Very high	14 Å²	14	49.6 Å²	49.6	7%	0.069	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	141.7	179.6	-60	179.6	-157.9	0	0	110.5	I82 N109 A110 V127 T217 T221	I82-M107 HydrophobicContact CG2-CE 3.72Å; M107-N109 PolarHBondContact O-N 2.99Å; M107-A110 VanDerWaalsContact O-CB 3.28Å; M107-A110 WeakPolarHBondContact O-CB 3.39Å; M107-A110 PolarHBondContact O-N 3.2Å; M107-V127 CarbonylContact C-O 3.55Å; M107-V127 WeakPolarHBondContact CA-O 3.39Å; M107-T217 HydrophobicContact CB-CG2 3.83Å; M107-T217 HydrophobicContact CG-CG2 3.89Å; M107-T217 HydrophobicContact SD-CG2 4.07Å; M107-T221 HydrophobicContact CE-CG2 3.86Å
108	N	98.4	Very high	97.8	Very high	25 Å²	25	46.5 Å²	46.5	13%	0.134	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	-136.8	171.9	-57.4	-42.3	0	0	0	112.6	R126 V127 V128 S129 S132 T217	N108-R126 PolarHBondContact O-NH1 2.74Å; N108-V127 PolarHBondContact N-O 2.87Å; N108-V128 WeakPolarHBondContact OD1-CA 3.44Å; N108-S129 PolarHBondContact OD1-N 2.91Å; N108-S132 WeakPolarHBondContact CB-OG 3.4Å; N108-S132 VanDerWaalsContact CG-OG 3.3Å; N108-S132 PolarHBondContact OD1-OG 3.17Å; N108-T217 PolarHBondContact ND2-OG1 3.36Å
109	N	96.7	Very high	97.8	Very high	41 Å²	41	46.5 Å²	46.5	22%	0.219	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	14.3	-179.1	68	-45.6	0	0	0	113.8	M107 P111 L135 L136 F143	M107-N109 PolarHBondContact O-N 2.99Å; N109-P111 WeakPolarHBondContact O-CD 3.46Å; N109-P111 VanDerWaalsContact O-N 3.14Å; N109-L135 HydrophobicContact CB-CB 4.27Å; N109-L136 HydrophobicContact CB-CD1 3.88Å; N109-F143 HydrophobicContact CB-CZ 4.15Å
110	A	97.8	Very high	97.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.227	C	C	.	.			trans	-56.6	118.3	-177.4	0	0	0	0	0	110.8	S85 M107 R126 Y255 Y256	S85-A110 WeakPolarHBondContact OG-CB 3.47Å; M107-A110 VanDerWaalsContact O-CB 3.28Å; M107-A110 WeakPolarHBondContact O-CB 3.39Å; M107-A110 PolarHBondContact O-N 3.2Å; A110-R126 PolarHBondContact O-NH1 3.44Å; A110-R126 PolarHBondContact O-NH2 3.03Å; A110-Y255 WeakPolarHBondContact CB-OH 3.45Å; A110-Y256 HydrophobicContact CB-CD1 4.34Å; A110-Y256 HydrophobicContact CB-CE1 3.67Å
111	P	96.8	Very high	97.8	Very high	32 Å²	32	43.9 Å²	43.9	21%	0.208	22%	0.223	C	C	.	.			trans	-84	153.9	-171.3	33.9	-34.4	0	0	0	112.1	N109 F115 Y255 Y256	N109-P111 WeakPolarHBondContact O-CD 3.46Å; N109-P111 VanDerWaalsContact O-N 3.14Å; P111-F115 HydrophobicContact CG-CD2 4.23Å; P111-F115 HydrophobicContact CG-CE2 4.18Å; P111-Y255 HydrophobicContact CG-CE2 4.42Å; P111-Y255 VanDerWaalsContact O-CE2 3.29Å; P111-Y255 WeakPolarHBondContact O-CE2 3.01Å; P111-Y255 PolarHBondContact O-OH 2.99Å; P111-Y256 VanDerWaalsContact CD-CD1 3.42Å; P111-Y256 HydrophobicContact CG-CD1 4.27Å; P111-Y256 HydrophobicContact CG-CD2 4.41Å; P111-Y256 HydrophobicContact CG-CG 3.84Å
112	T	96.9	Very high	97.7	Very high	18 Å²	18	49 Å²	49	11%	0.11	24%	0.242	C	C	.	.			trans	-96.9	-31.7	166.8	49.5	0	0	0	0	112.4	G114 F115 E116 V119 G120	T112-G114 PolarHBondContact O-N 3.01Å; T112-F115 CarbonylContact O-C 3.26Å; T112-F115 PolarHBondContact O-N 2.92Å; T112-E116 VanDerWaalsContact O-CD 3.31Å; T112-E116 PolarHBondContact O-N 2.87Å; T112-E116 VanDerWaalsContact O-N 3.17Å; T112-V119 HydrophobicContact CG2-CG2 4.4Å; T112-G120 WeakPolarHBondContact CB-O 3.37Å; T112-G120 WeakPolarHBondContact CG2-O 3.36Å
113	R	95.9	Very high	97.8	Very high	207 Å²	207	46.9 Å²	46.9	78%	0.781	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	126	-176.1	-172.1	177.8	178.6	-179.1	-0.8	111.3	F115 E116	R113-F115 VanDerWaalsContact C-N 3.29Å; R113-F115 WeakPolarHBondContact O-CD2 3.31Å; R113-E116 WeakPolarHBondContact CA-OE1 3.34Å
114	G	97.4	Very high	97.7	Very high	63 Å²	63	47.7 Å²	47.7	65%	0.649	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.9	-5.5	-175.1	0	0	0	0	0	114	T112 E116	T112-G114 PolarHBondContact O-N 3.01Å; G114-E116 WeakPolarHBondContact CA-OE2 3.43Å; G114-E116 PolarHBondContact N-OE1 2.91Å; G114-E116 PolarHBondContact N-OE2 2.77Å
115	F	98.4	Very high	97.7	Very high	50 Å²	50	47.7 Å²	47.7	22%	0.219	23%	0.232	C	C	.	.			trans	-128.6	9	-177.6	-58.8	-79.7	0	0	0	112.3	L90 P111 T112 R113 N117 D118 V119 Y255	L90-F115 HydrophobicContact CD2-CD1 4.18Å; L90-F115 HydrophobicContact CD2-CE1 4.1Å; P111-F115 HydrophobicContact CG-CD2 4.23Å; P111-F115 HydrophobicContact CG-CE2 4.18Å; T112-F115 CarbonylContact O-C 3.26Å; T112-F115 PolarHBondContact O-N 2.92Å; R113-F115 VanDerWaalsContact C-N 3.29Å; R113-F115 WeakPolarHBondContact O-CD2 3.31Å; F115-N117 PolarHBondContact O-N 2.82Å; F115-N117 VanDerWaalsContact O-N 3.09Å; F115-D118 PolarHBondContact O-N 2.99Å; F115-V119 HydrophobicContact CB-CG1 4.3Å; F115-V119 HydrophobicContact CB-CG2 3.7Å; F115-V119 WeakPolarHBondContact O-CG2 3.43Å; F115-V119 PolarHBondContact O-N 3.39Å; F115-Y255 HydrophobicContact CB-CD2 4.25Å; F115-Y255 HydrophobicContact CB-CE2 4.15Å; F115-Y255 AromaticContact CD1-CD2 3.77Å; F115-Y255 HydrophobicContact CD1-CD2 3.77Å; F115-Y255 HydrophobicContact CD1-CE2 4.41Å; F115-Y255 HydrophobicContact CD2-CD2 4.07Å; F115-Y255 AromaticContact CD2-CE2 3.98Å; F115-Y255 HydrophobicContact CD2-CE2 3.98Å; F115-Y255 HydrophobicContact CE1-CD2 4.15Å; F115-Y255 WeakPolarHBondContact CE1-O 3.21Å; F115-Y255 HydrophobicContact CE2-CD2 4.43Å; F115-Y255 AromaticContact CG-CD2 3.74Å; F115-Y255 HydrophobicContact CG-CD2 3.74Å; F115-Y255 AromaticContact CG-CE2 3.91Å; F115-Y255 HydrophobicContact CG-CE2 3.91Å; F115-Y255 HydrophobicContact CZ-CD2 4.47Å
116	E	98.5	Very high	97.7	Very high	62 Å²	62	48 Å²	48	29%	0.29	23%	0.233	S	C	.	.	H	α-helix	trans	-55.2	-36.6	-169.4	-66.7	85.8	160.8	0	0	113	T112 R113 G114 D118 G120 R121	T112-E116 VanDerWaalsContact O-CD 3.31Å; T112-E116 PolarHBondContact O-N 2.87Å; T112-E116 VanDerWaalsContact O-N 3.17Å; R113-E116 WeakPolarHBondContact CA-OE1 3.34Å; G114-E116 WeakPolarHBondContact CA-OE2 3.43Å; G114-E116 PolarHBondContact N-OE1 2.91Å; G114-E116 PolarHBondContact N-OE2 2.77Å; E116-D118 VanDerWaalsContact C-N 3.25Å; E116-D118 PolarHBondContact O-N 3.06Å; E116-G120 VanDerWaalsContact O-CA 3.24Å; E116-G120 WeakPolarHBondContact O-CA 3.41Å; E116-G120 PolarHBondContact O-N 2.84Å; E116-R121 HydrophobicContact CB-CG 3.77Å; E116-R121 HydrophobicContact CG-CG 3.48Å; E116-R121 VanDerWaalsContact CG-CG 3.48Å
117	N	98.6	Very high	97.7	Very high	113 Å²	113	48.1 Å²	48.1	60%	0.604	23%	0.234	S	C	*	.	H	α-helix	trans	-59.4	-39.7	177.8	-175	66.8	0	0	0	111.8	A93 A94 G95 F115	A93-N117 CarbonylContact C-O 3.58Å; A93-N117 VanDerWaalsContact CA-O 3.25Å; A93-N117 WeakPolarHBondContact CA-O 3.46Å; A94-N117 PolarHBondContact N-O 2.75Å; G95-N117 WeakPolarHBondContact CA-O 3.49Å; G95-N117 PolarHBondContact N-O 2.85Å; F115-N117 PolarHBondContact O-N 2.82Å; F115-N117 VanDerWaalsContact O-N 3.09Å
118	D	98.7	Very high	97.7	Very high	20 Å²	20	47.4 Å²	47.4	11%	0.107	23%	0.231	C	C	.	.	H	α-helix	trans	-92.9	-42.7	-173.5	-72	-21.6	0	0	0	112.1	M89 G91 Q92 A93 A94 G95 F115 E116	M89-D118 WeakPolarHBondContact CE-O 3.45Å; M89-D118 VanDerWaalsContact O-CB 3.27Å; M89-D118 WeakPolarHBondContact O-CB 3.15Å; G91-D118 VanDerWaalsContact N-CG 3.32Å; G91-D118 PolarHBondContact N-OD1 2.81Å; G91-D118 PolarHBondContact N-OD2 2.82Å; Q92-D118 PolarHBondContact N-OD1 2.81Å; Q92-D118 VanDerWaalsContact N-OD1 3.13Å; A93-D118 PolarHBondContact N-OD1 3.32Å; A94-D118 CarbonylContact C-O 3.55Å; G95-D118 PolarHBondContact N-O 2.98Å; F115-D118 PolarHBondContact O-N 2.99Å; E116-D118 VanDerWaalsContact C-N 3.25Å; E116-D118 PolarHBondContact O-N 3.06Å
119	V	98.7	Very high	97.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-110	-4.9	-169.8	-50.8	0	0	0	0	114.1	V83 M89 R106 T112 F115 Y255	V83-V119 HydrophobicContact CG1-CB 4.13Å; V83-V119 HydrophobicContact CG1-CG1 4.41Å; M89-V119 HydrophobicContact CB-CG1 3.91Å; M89-V119 HydrophobicContact CE-CG1 4.16Å; M89-V119 HydrophobicContact CG-CG1 4.28Å; R106-V119 VanDerWaalsContact CZ-O 3.28Å; R106-V119 PolarHBondContact NH1-O 3.36Å; R106-V119 PolarHBondContact NH2-O 3.46Å; T112-V119 HydrophobicContact CG2-CG2 4.4Å; F115-V119 HydrophobicContact CB-CG1 4.3Å; F115-V119 HydrophobicContact CB-CG2 3.7Å; F115-V119 WeakPolarHBondContact O-CG2 3.43Å; F115-V119 PolarHBondContact O-N 3.39Å; V119-Y255 HydrophobicContact CG1-CD1 4.21Å; V119-Y255 HydrophobicContact CG1-CD2 4.26Å; V119-Y255 HydrophobicContact CG1-CE1 4.02Å; V119-Y255 HydrophobicContact CG1-CE2 4.09Å; V119-Y255 HydrophobicContact CG1-CG 4.34Å; V119-Y255 HydrophobicContact CG2-CE2 4.39Å
120	G	98.4	Very high	97.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.221	C	C	.	.			trans	79.9	172.1	-176.3	0	0	0	0	0	113.2	G95 R106 T112 E116	G95-G120 VanDerWaalsContact CA-CA 3.5Å; R106-G120 PolarHBondContact NH2-O 2.83Å; T112-G120 WeakPolarHBondContact CB-O 3.37Å; T112-G120 WeakPolarHBondContact CG2-O 3.36Å; E116-G120 VanDerWaalsContact O-CA 3.24Å; E116-G120 WeakPolarHBondContact O-CA 3.41Å; E116-G120 PolarHBondContact O-N 2.84Å
121	R	96.7	Very high	97.7	Very high	185 Å²	185	49.9 Å²	49.9	70%	0.698	25%	0.247	S	C	*	.	S	Bend	trans	-100.1	-34.6	-176.1	-68.3	178.2	-179.9	168.8	2.5	112.8	D99 E116	D99-R121 VanDerWaalsContact CG-N 3.34Å; D99-R121 PolarHBondContact OD1-N 2.87Å; D99-R121 PolarHBondContact OD2-N 3.17Å; E116-R121 HydrophobicContact CB-CG 3.77Å; E116-R121 HydrophobicContact CG-CG 3.48Å; E116-R121 VanDerWaalsContact CG-CG 3.48Å
122	R	96.1	Very high	97.7	Very high	113 Å²	113	49 Å²	49	43%	0.426	24%	0.241	S	C	.	.			trans	-83.4	152.3	-168.6	-64.5	171.1	67.3	-140.2	-5.7	110.8	D99 S101 I104 R106	D99-R122 PolarHBondContact O-NH1 2.8Å; D99-R122 WeakPolarHBondContact OD1-CB 3.33Å; D99-R122 PolarHBondContact OD1-N 3.16Å; S101-R122 PolarHBondContact O-NH1 3.14Å; I104-R122 HydrophobicContact CD1-CB 3.58Å; I104-R122 WeakPolarHBondContact CG2-O 3.24Å; R106-R122 PolarHBondContact NE-O 3.11Å; R106-R122 PolarHBondContact NH2-O 3.41Å
123	T	97.4	Very high	97.8	Very high	26 Å²	26	48.2 Å²	48.2	16%	0.16	24%	0.236	C	C	.	.			trans	-145.1	126.9	170.1	-52.8	0	0	0	0	107.5	R106 R126 T150	R106-T123 HydrophobicContact CB-CG2 4.28Å; R106-T123 VanDerWaalsContact CD-OG1 3.3Å; R106-T123 WeakPolarHBondContact CD-OG1 3.41Å; R106-T123 HydrophobicContact CG-CG2 4.09Å; R106-T123 PolarHBondContact NE-OG1 3.21Å; T123-R126 HydrophobicContact CG2-CG 3.74Å; T123-T150 HydrophobicContact CG2-CG2 4.07Å; T123-T150 PolarHBondContact O-OG1 2.99Å
124	T	97.2	Very high	97.9	Very high	31 Å²	31	41 Å²	41	19%	0.19	22%	0.216	C	C	.	.	S	Bend	trans	-106.1	-30.3	175.6	64.8	0	0	0	0	111.6	C103 I104 T150 V151	C103-T124 WeakPolarHBondContact CA-OG1 3.33Å; I104-T124 PolarHBondContact N-OG1 3.13Å; I104-T124 PolarHBondContact O-N 2.99Å; I104-T124 PolarHBondContact O-OG1 2.83Å; I104-T124 VanDerWaalsContact O-OG1 3.07Å; T124-T150 WeakPolarHBondContact O-CA 3.43Å; T124-V151 PolarHBondContact O-N 3.39Å
125	L	98.3	Very high	97.9	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	141	179.2	-171.9	146.9	0	0	0	111.2	L75 I104 W105 R106 V127 V151 V153 L224	L75-L125 HydrophobicContact CD2-CD1 3.51Å; I104-L125 PolarHBondContact O-N 2.99Å; W105-L125 CarbonylContact C-O 3.22Å; W105-L125 VanDerWaalsContact CA-O 3.29Å; W105-L125 WeakPolarHBondContact CA-O 3.46Å; W105-L125 HydrophobicContact CD2-CB 4.26Å; W105-L125 HydrophobicContact CD2-CD2 3.9Å; W105-L125 HydrophobicContact CD2-CG 4.47Å; W105-L125 HydrophobicContact CE3-CD2 4.01Å; W105-L125 HydrophobicContact CG-CB 4Å; W105-L125 HydrophobicContact CG-CD2 4.21Å; W105-L125 HydrophobicContact CZ2-CD1 4.11Å; W105-L125 HydrophobicContact CZ3-CD2 4.45Å; R106-L125 PolarHBondContact N-O 3.11Å; L125-V127 HydrophobicContact CD2-CG2 3.5Å; L125-V127 VanDerWaalsContact CD2-CG2 3.5Å; L125-V151 CarbonylContact C-O 3.59Å; L125-V151 VanDerWaalsContact CA-O 3.24Å; L125-V151 WeakPolarHBondContact CA-O 3.36Å; L125-V151 HydrophobicContact CB-CB 4.49Å; L125-V151 HydrophobicContact CD1-CB 4.23Å; L125-V151 HydrophobicContact CD1-CG1 4.18Å; L125-V151 HydrophobicContact CG-CB 4.24Å; L125-V151 HydrophobicContact CG-CG1 4.49Å; L125-V153 HydrophobicContact CD1-CG2 4.07Å; L125-V153 HydrophobicContact CD2-CG2 4.47Å; L125-V153 HydrophobicContact CG-CG2 4.39Å; L125-L224 HydrophobicContact CD1-CD2 4.32Å; L125-L224 HydrophobicContact CD2-CD2 3.95Å
126	R	98.4	Very high	97.8	Very high	7 Å²	7	39 Å²	39	3%	0.026	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	123.6	169	-73.9	-178.4	175.5	-91	-3.8	110.5	R106 N108 A110 T123 V128 T150 V151 Y152 V153	R106-R126 HydrophobicContact CB-CG 4.31Å; R106-R126 VanDerWaalsContact O-CA 3.26Å; R106-R126 WeakPolarHBondContact O-CA 3.5Å; N108-R126 PolarHBondContact O-NH1 2.74Å; A110-R126 PolarHBondContact O-NH1 3.44Å; A110-R126 PolarHBondContact O-NH2 3.03Å; T123-R126 HydrophobicContact CG2-CG 3.74Å; R126-V128 HydrophobicContact CB-CG2 3.99Å; R126-T150 HydrophobicContact CG-CG2 4.12Å; R126-V151 PolarHBondContact N-O 2.89Å; R126-Y152 HydrophobicContact CB-CD1 4.01Å; R126-Y152 HydrophobicContact CB-CE1 4.17Å; R126-Y152 HydrophobicContact CG-CE1 4.41Å; R126-Y152 WeakPolarHBondContact O-CA 3.48Å; R126-V153 PolarHBondContact O-N 3.06Å
127	V	98.8	Very high	97.8	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.018	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	123.5	167.4	-172.8	0	0	0	0	107.9	R106 M107 N108 L125 V153 T217 F220 T221 L224	R106-V127 PolarHBondContact O-N 2.79Å; M107-V127 CarbonylContact C-O 3.55Å; M107-V127 WeakPolarHBondContact CA-O 3.39Å; N108-V127 PolarHBondContact N-O 2.87Å; L125-V127 HydrophobicContact CD2-CG2 3.5Å; L125-V127 VanDerWaalsContact CD2-CG2 3.5Å; V127-V153 CarbonylContact C-O 3.48Å; V127-V153 WeakPolarHBondContact CA-O 3.08Å; V127-T217 HydrophobicContact CB-CG2 4.17Å; V127-T217 HydrophobicContact CG1-CG2 3.94Å; V127-T217 WeakPolarHBondContact O-CG2 3.29Å; V127-F220 HydrophobicContact CG1-CB 4.38Å; V127-T221 VanDerWaalsContact CB-OG1 3.31Å; V127-T221 WeakPolarHBondContact CB-OG1 3.31Å; V127-T221 HydrophobicContact CG2-CG2 3.86Å; V127-T221 WeakPolarHBondContact CG2-OG1 3.14Å; V127-L224 HydrophobicContact CG2-CD2 3.64Å
128	V	98.7	Very high	97.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	124.1	-167.5	-175.4	0	0	0	0	109.8	N108 R126 V133 L136 Y152 V153 V154 W155	N108-V128 WeakPolarHBondContact OD1-CA 3.44Å; R126-V128 HydrophobicContact CB-CG2 3.99Å; V128-V133 HydrophobicContact CG1-CG2 4.07Å; V128-L136 HydrophobicContact CG1-CD1 4.2Å; V128-L136 HydrophobicContact CG1-CD2 4.15Å; V128-L136 HydrophobicContact CG2-CD2 3.98Å; V128-Y152 HydrophobicContact CG2-CD1 4.28Å; V128-V153 PolarHBondContact N-O 3.29Å; V128-V154 HydrophobicContact CB-CG2 4.27Å; V128-V154 CarbonylContact O-C 3.57Å; V128-V154 VanDerWaalsContact O-CA 3.27Å; V128-V154 WeakPolarHBondContact O-CA 3.36Å; V128-V154 WeakPolarHBondContact O-CG1 3.29Å; V128-W155 VanDerWaalsContact O-CD1 3.24Å; V128-W155 PolarHBondContact O-N 3.39Å
129	S	98	Very high	97.5	Very high	6 Å²	6	45.3 Å²	45.3	4%	0.042	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	142.7	166.4	172.9	0	0	0	0	110	N108 T131 S132 V133 W155	N108-S129 PolarHBondContact OD1-N 2.91Å; S129-T131 PolarHBondContact O-N 3.09Å; S129-T131 PolarHBondContact OG-N 2.96Å; S129-T131 PolarHBondContact OG-OG1 3.39Å; S129-S132 WeakPolarHBondContact O-CA 3.24Å; S129-S132 WeakPolarHBondContact O-CB 3.48Å; S129-S132 PolarHBondContact O-N 2.7Å; S129-V133 PolarHBondContact O-N 3.29Å; S129-W155 CarbonylContact C-O 3.48Å
130	H	97.4	Very high	97.3	Very high	22 Å²	22	47.1 Å²	47.1	10%	0.102	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-51.1	-31.7	171.9	77.8	-70.8	0	0	0	113.2	S132 V133 W155 P157 N160 M161 V169	H130-S132 VanDerWaalsContact C-N 3.29Å; H130-S132 PolarHBondContact O-N 2.97Å; H130-V133 PolarHBondContact O-N 2.84Å; H130-W155 WeakPolarHBondContact CB-O 3.37Å; H130-W155 PolarHBondContact N-O 2.84Å; H130-P157 WeakPolarHBondContact CE1-CD 3.25Å; H130-P157 WeakPolarHBondContact ND1-CD 3.46Å; H130-N160 PolarHBondContact CD2-ND2 3.1Å; H130-N160 PolarHBondContact NE2-ND2 2.95Å; H130-N160 VanDerWaalsContact NE2-ND2 3.11Å; H130-M161 HydrophobicContact CB-SD 4.34Å; H130-V169 HydrophobicContact CB-CB 4.36Å; H130-V169 HydrophobicContact CB-CG1 3.99Å; H130-V169 HydrophobicContact CB-CG2 4.14Å
131	T	96.1	Very high	97	Very high	90 Å²	90	52.1 Å²	52.1	55%	0.552	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-70.4	-23.8	176.3	56.8	0	0	0	0	113.3	S129	S129-T131 PolarHBondContact O-N 3.09Å; S129-T131 PolarHBondContact OG-N 2.96Å; S129-T131 PolarHBondContact OG-OG1 3.39Å
132	S	97.8	Very high	96.8	Very high	12 Å²	12	46.7 Å²	46.7	8%	0.084	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-88.4	-12.4	177.2	-63.8	0	0	0	0	113.3	N108 S129 H130 L135 L136	N108-S132 WeakPolarHBondContact CB-OG 3.4Å; N108-S132 VanDerWaalsContact CG-OG 3.3Å; N108-S132 PolarHBondContact OD1-OG 3.17Å; S129-S132 WeakPolarHBondContact O-CA 3.24Å; S129-S132 WeakPolarHBondContact O-CB 3.48Å; S129-S132 PolarHBondContact O-N 2.7Å; H130-S132 VanDerWaalsContact C-N 3.29Å; H130-S132 PolarHBondContact O-N 2.97Å; S132-L135 WeakPolarHBondContact O-CB 3.28Å; S132-L135 PolarHBondContact O-N 2.91Å; S132-L136 VanDerWaalsContact O-CD1 3.31Å; S132-L136 WeakPolarHBondContact O-CD1 3.32Å; S132-L136 PolarHBondContact O-N 2.81Å
133	V	98.4	Very high	96.8	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.012	22%	0.216	C	C	.	.	H	α-helix	trans	-56.4	-45.6	178.9	172.1	0	0	0	0	112.6	V128 S129 H130 L135 L136 L137 V154 V169 M172 L173	V128-V133 HydrophobicContact CG1-CG2 4.07Å; S129-V133 PolarHBondContact O-N 3.29Å; H130-V133 PolarHBondContact O-N 2.84Å; V133-L135 PolarHBondContact O-N 3.07Å; V133-L136 PolarHBondContact O-N 2.89Å; V133-L136 VanDerWaalsContact O-N 3.12Å; V133-L137 HydrophobicContact CG1-CD1 3.76Å; V133-L137 HydrophobicContact CG1-CG 4.31Å; V133-L137 WeakPolarHBondContact O-CG 3.26Å; V133-L137 PolarHBondContact O-N 2.93Å; V133-L137 VanDerWaalsContact O-N 3.09Å; V133-V154 HydrophobicContact CG2-CG1 3.66Å; V133-V169 HydrophobicContact CB-CG1 3.89Å; V133-V169 HydrophobicContact CG1-CG1 4.04Å; V133-V169 HydrophobicContact CG2-CG1 3.7Å; V133-M172 HydrophobicContact CG1-CB 4.48Å; V133-L173 HydrophobicContact CG1-CD2 3.76Å; V133-L173 HydrophobicContact CG1-CG 4.15Å; V133-L173 HydrophobicContact CG2-CD2 4.04Å
134	P	98.1	Very high	96.6	Very high	56 Å²	56	40.8 Å²	40.8	36%	0.364	21%	0.21	S	C	.	.	H	α-helix	trans	-56.3	-35.6	175.1	-26.9	36.4	0	0	0	113.6	L137 Q138	P134-L137 PolarHBondContact O-N 3.27Å; P134-Q138 PolarHBondContact O-N 3.4Å; P134-Q138 VanDerWaalsContact O-N 3.17Å
135	L	97.4	Very high	96.2	Very high	66 Å²	66	40.2 Å²	40.2	35%	0.346	21%	0.211	S	C	.	.	H	α-helix	trans	-68.5	-37.1	178.7	-56.5	176.9	0	0	0	112.1	N109 S132 V133 L137 Q138	N109-L135 HydrophobicContact CB-CB 4.27Å; S132-L135 WeakPolarHBondContact O-CB 3.28Å; S132-L135 PolarHBondContact O-N 2.91Å; V133-L135 PolarHBondContact O-N 3.07Å; L135-L137 VanDerWaalsContact C-N 3.32Å; L135-Q138 PolarHBondContact O-N 3.31Å
136	L	96.9	Very high	95.3	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-65	-40.1	173.5	-86.4	67.6	0	0	0	110.7	N109 V128 S132 V133 Q138 K139 F143 F144 Y152	N109-L136 HydrophobicContact CB-CD1 3.88Å; V128-L136 HydrophobicContact CG1-CD1 4.2Å; V128-L136 HydrophobicContact CG1-CD2 4.15Å; V128-L136 HydrophobicContact CG2-CD2 3.98Å; S132-L136 VanDerWaalsContact O-CD1 3.31Å; S132-L136 WeakPolarHBondContact O-CD1 3.32Å; S132-L136 PolarHBondContact O-N 2.81Å; V133-L136 PolarHBondContact O-N 2.89Å; V133-L136 VanDerWaalsContact O-N 3.12Å; L136-Q138 VanDerWaalsContact C-N 3.25Å; L136-Q138 PolarHBondContact O-N 3.13Å; L136-K139 CarbonylContact O-C 3.54Å; L136-K139 VanDerWaalsContact O-C 3.26Å; L136-K139 PolarHBondContact O-N 3.25Å; L136-F143 HydrophobicContact CB-CD2 3.97Å; L136-F143 HydrophobicContact CB-CE2 4.29Å; L136-F143 HydrophobicContact CB-CG 4.27Å; L136-F143 HydrophobicContact CD1-CZ 4.45Å; L136-F143 HydrophobicContact CD2-CD1 4.33Å; L136-F143 HydrophobicContact CD2-CG 4.38Å; L136-F143 HydrophobicContact CG-CD1 4Å; L136-F143 HydrophobicContact CG-CD2 3.9Å; L136-F143 HydrophobicContact CG-CE1 4.12Å; L136-F143 HydrophobicContact CG-CE2 4.02Å; L136-F143 HydrophobicContact CG-CG 3.89Å; L136-F143 HydrophobicContact CG-CZ 4.13Å; L136-F143 WeakPolarHBondContact O-CD2 3.45Å; L136-F144 HydrophobicContact CB-CE2 4.31Å; L136-F144 HydrophobicContact CB-CZ 4.13Å; L136-F144 HydrophobicContact CD2-CZ 4.08Å; L136-Y152 HydrophobicContact CD2-CD1 3.81Å; L136-Y152 HydrophobicContact CD2-CE1 3.78Å
137	L	96.9	Very high	93.7	Very high	50 Å²	50	47.3 Å²	47.3	26%	0.262	25%	0.249	S	C	.	.	H	α-helix	trans	-72.7	-13.7	-178.5	-64.8	170	0	0	0	114.1	V133 P134 L135 K139 P140 F144 M172 A176	V133-L137 HydrophobicContact CG1-CD1 3.76Å; V133-L137 HydrophobicContact CG1-CG 4.31Å; V133-L137 WeakPolarHBondContact O-CG 3.26Å; V133-L137 PolarHBondContact O-N 2.93Å; V133-L137 VanDerWaalsContact O-N 3.09Å; P134-L137 PolarHBondContact O-N 3.27Å; L135-L137 VanDerWaalsContact C-N 3.32Å; L137-K139 PolarHBondContact O-N 3.48Å; L137-P140 VanDerWaalsContact O-CD 3.32Å; L137-P140 WeakPolarHBondContact O-CD 3.22Å; L137-F144 HydrophobicContact CD2-CE2 3.8Å; L137-M172 HydrophobicContact CD1-CB 3.75Å; L137-M172 HydrophobicContact CD1-CG 4.25Å; L137-M172 HydrophobicContact CD1-SD 4.29Å; L137-A176 HydrophobicContact CD2-CB 3.85Å
138	Q	97.1	Very high	92.1	Very high	141 Å²	141	51.2 Å²	51.2	66%	0.659	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-23.9	167.5	-69.9	174.4	10.4	0	0	112.4	P134 L135 L136	P134-Q138 PolarHBondContact O-N 3.4Å; P134-Q138 VanDerWaalsContact O-N 3.17Å; L135-Q138 PolarHBondContact O-N 3.31Å; L136-Q138 VanDerWaalsContact C-N 3.25Å; L136-Q138 PolarHBondContact O-N 3.13Å
139	K	94.8	Very high	91.5	Very high	137 Å²	137	57.7 Å²	57.7	60%	0.596	30%	0.304	S	S	*	.	S	Bend	trans	-132.1	57.8	179.2	-59.6	-175.7	-176.7	176.9	0	110.8	L136 L137 Q141 H142 F143	L136-K139 CarbonylContact O-C 3.54Å; L136-K139 VanDerWaalsContact O-C 3.26Å; L136-K139 PolarHBondContact O-N 3.25Å; L137-K139 PolarHBondContact O-N 3.48Å; K139-Q141 VanDerWaalsContact C-N 3.3Å; K139-Q141 PolarHBondContact O-N 2.85Å; K139-H142 HydrophobicContact CB-CB 4.14Å; K139-H142 WeakPolarHBondContact O-CB 3.48Å; K139-H142 PolarHBondContact O-N 3.11Å; K139-F143 HydrophobicContact CB-CD2 4.27Å; K139-F143 HydrophobicContact CB-CE2 4.21Å; K139-F143 WeakPolarHBondContact O-CD2 3.39Å; K139-F143 PolarHBondContact O-N 2.99Å
140	P	94.1	Very high	91.4	Very high	39 Å²	39	58 Å²	58	25%	0.253	31%	0.306	S	S	.	.	H	α-helix	trans	-68.2	-32.5	-167.7	30.7	-33.7	0	0	0	111.6	L137 H142 F143 F144 G145 Y180	L137-P140 VanDerWaalsContact O-CD 3.32Å; L137-P140 WeakPolarHBondContact O-CD 3.22Å; P140-H142 VanDerWaalsContact C-N 3.3Å; P140-H142 PolarHBondContact O-N 3.41Å; P140-F143 PolarHBondContact O-N 2.85Å; P140-F144 HydrophobicContact CB-CD2 4.09Å; P140-F144 WeakPolarHBondContact O-CA 3.43Å; P140-F144 WeakPolarHBondContact O-CB 3.43Å; P140-F144 PolarHBondContact O-N 2.87Å; P140-G145 PolarHBondContact O-N 2.82Å; P140-Y180 HydrophobicContact CB-CE2 3.82Å; P140-Y180 WeakPolarHBondContact CB-OH 3.44Å; P140-Y180 WeakPolarHBondContact CG-OH 3.5Å
141	Q	93.2	Very high	91.4	Very high	104 Å²	104	57.1 Å²	57.1	49%	0.486	30%	0.302	S	S	.	.	I	π-helix	trans	-62.8	-36.8	174.1	-171.8	61.2	23.4	0	0	112.4	K139 G145 Q146 Y180	K139-Q141 VanDerWaalsContact C-N 3.3Å; K139-Q141 PolarHBondContact O-N 2.85Å; Q141-G145 CarbonylContact O-C 3.4Å; Q141-G145 VanDerWaalsContact O-CA 3.27Å; Q141-G145 WeakPolarHBondContact O-CA 3.49Å; Q141-G145 PolarHBondContact O-N 3.42Å; Q141-G145 VanDerWaalsContact O-N 3.16Å; Q141-Q146 WeakPolarHBondContact O-CG 3.27Å; Q141-Q146 PolarHBondContact O-N 2.83Å; Q141-Y180 PolarHBondContact N-OH 3.29Å
142	H	92.8	Very high	91.5	Very high	71 Å²	71	53.1 Å²	53.1	33%	0.329	28%	0.276	S	S	.	.	I	π-helix	trans	-68.8	-46.3	178.1	173.6	61.1	0	0	0	111.6	K139 P140	K139-H142 HydrophobicContact CB-CB 4.14Å; K139-H142 WeakPolarHBondContact O-CB 3.48Å; K139-H142 PolarHBondContact O-N 3.11Å; P140-H142 VanDerWaalsContact C-N 3.3Å; P140-H142 PolarHBondContact O-N 3.41Å
143	F	94.9	Very high	91.5	Very high	10 Å²	10	52.6 Å²	52.6	4%	0.044	27%	0.273	C	S	.	.	I	π-helix	trans	-79.7	-56.8	-177.7	-68.3	-73.8	0	0	0	111.7	N109 L136 K139 P140 G147 Y152	N109-F143 HydrophobicContact CB-CZ 4.15Å; L136-F143 HydrophobicContact CB-CD2 3.97Å; L136-F143 HydrophobicContact CB-CE2 4.29Å; L136-F143 HydrophobicContact CB-CG 4.27Å; L136-F143 HydrophobicContact CD1-CZ 4.45Å; L136-F143 HydrophobicContact CD2-CD1 4.33Å; L136-F143 HydrophobicContact CD2-CG 4.38Å; L136-F143 HydrophobicContact CG-CD1 4Å; L136-F143 HydrophobicContact CG-CD2 3.9Å; L136-F143 HydrophobicContact CG-CE1 4.12Å; L136-F143 HydrophobicContact CG-CE2 4.02Å; L136-F143 HydrophobicContact CG-CG 3.89Å; L136-F143 HydrophobicContact CG-CZ 4.13Å; L136-F143 WeakPolarHBondContact O-CD2 3.45Å; K139-F143 HydrophobicContact CB-CD2 4.27Å; K139-F143 HydrophobicContact CB-CE2 4.21Å; K139-F143 WeakPolarHBondContact O-CD2 3.39Å; K139-F143 PolarHBondContact O-N 2.99Å; P140-F143 PolarHBondContact O-N 2.85Å; F143-G147 WeakPolarHBondContact O-CA 3.48Å; F143-G147 PolarHBondContact O-N 3.31Å; F143-Y152 VanDerWaalsContact C-OH 3.23Å; F143-Y152 WeakPolarHBondContact CA-OH 3.45Å; F143-Y152 HydrophobicContact CB-CE1 4.19Å; F143-Y152 HydrophobicContact CD1-CE1 4.2Å; F143-Y152 PolarHBondContact O-OH 2.69Å
144	F	94	Very high	91.6	Very high	5 Å²	5	52.6 Å²	52.6	2%	0.022	27%	0.273	C	S	.	.	I	π-helix	trans	-95.4	-22.3	-170	-51.3	-60.4	0	0	0	114.1	L136 L137 P140 Y152 A176 Y180 A183 I185	L136-F144 HydrophobicContact CB-CE2 4.31Å; L136-F144 HydrophobicContact CB-CZ 4.13Å; L136-F144 HydrophobicContact CD2-CZ 4.08Å; L137-F144 HydrophobicContact CD2-CE2 3.8Å; P140-F144 HydrophobicContact CB-CD2 4.09Å; P140-F144 WeakPolarHBondContact O-CA 3.43Å; P140-F144 WeakPolarHBondContact O-CB 3.43Å; P140-F144 PolarHBondContact O-N 2.87Å; F144-Y152 HydrophobicContact CD1-CD2 4.12Å; F144-Y152 AromaticContact CD1-CE2 3.93Å; F144-Y152 HydrophobicContact CD1-CE2 3.93Å; F144-Y152 AromaticContact CE1-CD1 3.95Å; F144-Y152 HydrophobicContact CE1-CD1 3.95Å; F144-Y152 HydrophobicContact CE1-CD2 4.01Å; F144-Y152 AromaticContact CE1-CE1 4Å; F144-Y152 HydrophobicContact CE1-CE1 4Å; F144-Y152 HydrophobicContact CE1-CE2 4.09Å; F144-Y152 AromaticContact CE1-CG 3.97Å; F144-Y152 HydrophobicContact CE1-CG 3.97Å; F144-A176 HydrophobicContact CE2-CB 4.43Å; F144-Y180 HydrophobicContact CB-CD1 3.83Å; F144-Y180 HydrophobicContact CB-CD2 3.83Å; F144-Y180 HydrophobicContact CB-CE1 4.36Å; F144-Y180 HydrophobicContact CB-CE2 4.4Å; F144-Y180 HydrophobicContact CB-CG 3.54Å; F144-A183 HydrophobicContact CB-CB 4Å; F144-A183 HydrophobicContact CD1-CB 4.15Å; F144-A183 HydrophobicContact CG-CB 4.46Å; F144-I185 HydrophobicContact CD1-CD1 3.98Å; F144-I185 HydrophobicContact CD1-CG1 4.32Å; F144-I185 HydrophobicContact CE1-CD1 3.88Å; F144-I185 HydrophobicContact CE1-CG1 4.21Å
145	G	87.8	Confident	91.6	Very high	20 Å²	20	50.2 Å²	50.2	21%	0.206	26%	0.257	C	S	.	.	I	π-helix	trans	-92.6	-38	-178.9	0	0	0	0	0	115.1	P140 Q141	P140-G145 PolarHBondContact O-N 2.82Å; Q141-G145 CarbonylContact O-C 3.4Å; Q141-G145 VanDerWaalsContact O-CA 3.27Å; Q141-G145 WeakPolarHBondContact O-CA 3.49Å; Q141-G145 PolarHBondContact O-N 3.42Å; Q141-G145 VanDerWaalsContact O-N 3.16Å
146	Q	78.8	Confident	91.5	Very high	139 Å²	139	47.3 Å²	47.3	65%	0.65	24%	0.243	S	C	*	.	S	Bend	trans	-99.2	-22.8	179.6	-68.8	175.9	-9.3	0	0	112.5	Q141 N148	Q141-Q146 WeakPolarHBondContact O-CG 3.27Å; Q141-Q146 PolarHBondContact O-N 2.83Å; Q146-N148 PolarHBondContact O-N 2.82Å; Q146-N148 VanDerWaalsContact O-N 3.1Å
147	G	66	Low	91.3	Very high	17 Å²	17	48.4 Å²	48.4	18%	0.175	25%	0.25	C	S	.	.			trans	-82.6	38.9	179.6	0	0	0	0	0	113.6	F143 D149 T150	F143-G147 WeakPolarHBondContact O-CA 3.48Å; F143-G147 PolarHBondContact O-N 3.31Å; G147-D149 PolarHBondContact O-N 2.86Å; G147-T150 WeakPolarHBondContact O-CB 3.42Å; G147-T150 PolarHBondContact O-N 3.3Å
148	N	65.8	Low	91.1	Very high	85 Å²	85	50.5 Å²	50.5	46%	0.455	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-29.5	-167.7	-100.7	-2.8	0	0	0	115	Q146	Q146-N148 PolarHBondContact O-N 2.82Å; Q146-N148 VanDerWaalsContact O-N 3.1Å
149	D	84.8	Confident	90.9	Very high	136 Å²	136	53.1 Å²	53.1	73%	0.727	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	-4.6	178.5	-61.9	-44	0	0	0	114.7	G147 V151	G147-D149 PolarHBondContact O-N 2.86Å; D149-V151 PolarHBondContact O-N 2.95Å
150	T	95.9	Very high	91	Very high	12 Å²	12	48 Å²	48	7%	0.074	24%	0.244	C	C	.	.			trans	-74.8	123.8	179.8	-59.9	0	0	0	0	110.6	T123 T124 R126 G147 Y152	T123-T150 HydrophobicContact CG2-CG2 4.07Å; T123-T150 PolarHBondContact O-OG1 2.99Å; T124-T150 WeakPolarHBondContact O-CA 3.43Å; R126-T150 HydrophobicContact CG-CG2 4.12Å; G147-T150 WeakPolarHBondContact O-CB 3.42Å; G147-T150 PolarHBondContact O-N 3.3Å; T150-Y152 HydrophobicContact CG2-CD2 4.3Å; T150-Y152 HydrophobicContact CG2-CE1 4.3Å; T150-Y152 HydrophobicContact CG2-CE2 3.71Å; T150-Y152 WeakPolarHBondContact O-CD2 3.27Å; T150-Y152 WeakPolarHBondContact O-CE2 3.36Å
151	V	97.8	Very high	91.1	Very high	4 Å²	4	47 Å²	47	2%	0.024	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	130.1	171	-179.2	0	0	0	0	109.6	L73 T124 L125 R126 D149 V153 R184 Y186	L73-V151 HydrophobicContact CD1-CG1 4.07Å; T124-V151 PolarHBondContact O-N 3.39Å; L125-V151 CarbonylContact C-O 3.59Å; L125-V151 VanDerWaalsContact CA-O 3.24Å; L125-V151 WeakPolarHBondContact CA-O 3.36Å; L125-V151 HydrophobicContact CB-CB 4.49Å; L125-V151 HydrophobicContact CD1-CB 4.23Å; L125-V151 HydrophobicContact CD1-CG1 4.18Å; L125-V151 HydrophobicContact CG-CB 4.24Å; L125-V151 HydrophobicContact CG-CG1 4.49Å; R126-V151 PolarHBondContact N-O 2.89Å; D149-V151 PolarHBondContact O-N 2.95Å; V151-V153 HydrophobicContact CG1-CG2 4.12Å; V151-R184 HydrophobicContact CG2-CB 4.29Å; V151-Y186 HydrophobicContact CG1-CD2 3.71Å; V151-Y186 HydrophobicContact CG1-CE2 3.88Å
152	Y	98.4	Very high	91.3	Very high	5 Å²	5	46.6 Å²	46.6	2%	0.02	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	119.2	174.9	-64.4	-95.1	0	0	0	109.1	R126 V128 L136 F143 F144 T150 R184 Y186	R126-Y152 HydrophobicContact CB-CD1 4.01Å; R126-Y152 HydrophobicContact CB-CE1 4.17Å; R126-Y152 HydrophobicContact CG-CE1 4.41Å; R126-Y152 WeakPolarHBondContact O-CA 3.48Å; V128-Y152 HydrophobicContact CG2-CD1 4.28Å; L136-Y152 HydrophobicContact CD2-CD1 3.81Å; L136-Y152 HydrophobicContact CD2-CE1 3.78Å; F143-Y152 VanDerWaalsContact C-OH 3.23Å; F143-Y152 WeakPolarHBondContact CA-OH 3.45Å; F143-Y152 HydrophobicContact CB-CE1 4.19Å; F143-Y152 HydrophobicContact CD1-CE1 4.2Å; F143-Y152 PolarHBondContact O-OH 2.69Å; F144-Y152 HydrophobicContact CD1-CD2 4.12Å; F144-Y152 AromaticContact CD1-CE2 3.93Å; F144-Y152 HydrophobicContact CD1-CE2 3.93Å; F144-Y152 AromaticContact CE1-CD1 3.95Å; F144-Y152 HydrophobicContact CE1-CD1 3.95Å; F144-Y152 HydrophobicContact CE1-CD2 4.01Å; F144-Y152 AromaticContact CE1-CE1 4Å; F144-Y152 HydrophobicContact CE1-CE1 4Å; F144-Y152 HydrophobicContact CE1-CE2 4.09Å; F144-Y152 AromaticContact CE1-CG 3.97Å; F144-Y152 HydrophobicContact CE1-CG 3.97Å; T150-Y152 HydrophobicContact CG2-CD2 4.3Å; T150-Y152 HydrophobicContact CG2-CE1 4.3Å; T150-Y152 HydrophobicContact CG2-CE2 3.71Å; T150-Y152 WeakPolarHBondContact O-CD2 3.27Å; T150-Y152 WeakPolarHBondContact O-CE2 3.36Å; Y152-R184 PolarHBondContact N-O 2.98Å; Y152-Y186 PolarHBondContact O-N 2.93Å
153	V	98.6	Very high	91.4	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.006	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	108.9	174.3	-177.5	0	0	0	0	108.4	Y64 L73 L125 R126 V127 V128 V151 L224	Y64-V153 HydrophobicContact CD1-CG1 3.46Å; Y64-V153 VanDerWaalsContact CD1-CG1 3.46Å; Y64-V153 HydrophobicContact CE1-CG1 3.92Å; Y64-V153 HydrophobicContact CG-CG1 4.3Å; L73-V153 HydrophobicContact CD2-CG2 3.89Å; L125-V153 HydrophobicContact CD1-CG2 4.07Å; L125-V153 HydrophobicContact CD2-CG2 4.47Å; L125-V153 HydrophobicContact CG-CG2 4.39Å; R126-V153 PolarHBondContact O-N 3.06Å; V127-V153 CarbonylContact C-O 3.48Å; V127-V153 WeakPolarHBondContact CA-O 3.08Å; V128-V153 PolarHBondContact N-O 3.29Å; V151-V153 HydrophobicContact CG1-CG2 4.12Å; V153-L224 HydrophobicContact CB-CD2 4.19Å; V153-L224 HydrophobicContact CG1-CD2 4.2Å; V153-L224 HydrophobicContact CG2-CD2 4.11Å
154	V	98.8	Very high	91.4	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.012	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	128.5	-174.4	-168	0	0	0	0	111	V128 V133 M161 L173 I185 Y186 A187 T188	V128-V154 HydrophobicContact CB-CG2 4.27Å; V128-V154 CarbonylContact O-C 3.57Å; V128-V154 VanDerWaalsContact O-CA 3.27Å; V128-V154 WeakPolarHBondContact O-CA 3.36Å; V128-V154 WeakPolarHBondContact O-CG1 3.29Å; V133-V154 HydrophobicContact CG2-CG1 3.66Å; V154-M161 HydrophobicContact CB-CE 4.42Å; V154-M161 HydrophobicContact CG1-CE 4.21Å; V154-L173 HydrophobicContact CB-CD1 3.93Å; V154-L173 HydrophobicContact CG1-CD1 3.9Å; V154-L173 HydrophobicContact CG2-CD1 3.88Å; V154-L173 HydrophobicContact CG2-CD2 3.92Å; V154-I185 HydrophobicContact CG2-CG2 4.43Å; V154-Y186 PolarHBondContact N-O 3.49Å; V154-A187 WeakPolarHBondContact O-CA 3.2Å; V154-T188 PolarHBondContact O-N 3.11Å; V154-T188 PolarHBondContact O-OG1 3.17Å
155	W	98	Very high	91.5	Very high	7 Å²	7	54.5 Å²	54.5	3%	0.027	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	148.7	176.3	70.3	-90.9	0	0	0	110.8	V128 S129 H130 M193 L215 T217 F220	V128-W155 VanDerWaalsContact O-CD1 3.24Å; V128-W155 PolarHBondContact O-N 3.39Å; S129-W155 CarbonylContact C-O 3.48Å; H130-W155 WeakPolarHBondContact CB-O 3.37Å; H130-W155 PolarHBondContact N-O 2.84Å; W155-M193 HydrophobicContact CB-SD 3.93Å; W155-M193 HydrophobicContact CE3-CE 3.99Å; W155-L215 VanDerWaalsContact CH2-O 3.27Å; W155-L215 WeakPolarHBondContact CH2-O 3.24Å; W155-T217 WeakPolarHBondContact CZ2-OG1 3.38Å; W155-T217 PolarHBondContact NE1-OG1 3.43Å; W155-F220 HydrophobicContact CB-CD1 4.36Å; W155-F220 HydrophobicContact CB-CG 4.36Å; W155-F220 AromaticContact CD2-CD2 3.39Å; W155-F220 HydrophobicContact CD2-CD2 3.39Å; W155-F220 AromaticContact CD2-CE2 3.49Å; W155-F220 HydrophobicContact CD2-CE2 3.49Å; W155-F220 VanDerWaalsContact CD2-CE2 3.49Å; W155-F220 AromaticContact CD2-CG 3.98Å; W155-F220 HydrophobicContact CD2-CG 3.98Å; W155-F220 HydrophobicContact CD2-CZ 4.13Å; W155-F220 AromaticContact CE2-CD2 3.43Å; W155-F220 VanDerWaalsContact CE2-CD2 3.43Å; W155-F220 AromaticContact CE2-CE2 3.79Å; W155-F220 AromaticContact CE3-CD2 3.73Å; W155-F220 HydrophobicContact CE3-CD2 3.73Å; W155-F220 HydrophobicContact CE3-CE1 4.43Å; W155-F220 AromaticContact CE3-CE2 3.26Å; W155-F220 HydrophobicContact CE3-CE2 3.26Å; W155-F220 HydrophobicContact CE3-CG 4.49Å; W155-F220 AromaticContact CE3-CZ 3.68Å; W155-F220 HydrophobicContact CE3-CZ 3.68Å; W155-F220 HydrophobicContact CG-CB 4.33Å; W155-F220 HydrophobicContact CG-CD1 4.36Å; W155-F220 AromaticContact CG-CD2 3.83Å; W155-F220 HydrophobicContact CG-CD2 3.83Å; W155-F220 HydrophobicContact CG-CE2 4.25Å; W155-F220 AromaticContact CG-CG 3.91Å; W155-F220 HydrophobicContact CG-CG 3.91Å; W155-F220 HydrophobicContact CH2-CD2 4.07Å; W155-F220 AromaticContact CH2-CE2 3.66Å; W155-F220 HydrophobicContact CH2-CE2 3.66Å; W155-F220 AromaticContact CZ2-CD2 3.79Å; W155-F220 HydrophobicContact CZ2-CD2 3.79Å; W155-F220 AromaticContact CZ2-CE2 3.88Å; W155-F220 HydrophobicContact CZ2-CE2 3.88Å; W155-F220 HydrophobicContact CZ3-CD2 4.06Å; W155-F220 AromaticContact CZ3-CE2 3.36Å; W155-F220 HydrophobicContact CZ3-CE2 3.36Å; W155-F220 AromaticContact CZ3-CZ 3.99Å; W155-F220 HydrophobicContact CZ3-CZ 3.99Å; W155-F220 AromaticContact NE1-CD2 3.87Å
156	G	95.3	Very high	91.9	Very high	5 Å²	5	60.5 Å²	60.5	5%	0.052	30%	0.301	C	S	.	.			trans	-177.3	166.7	-179.7	0	0	0	0	0	113.4
157	P	93.2	Very high	92.8	Very high	27 Å²	27	53.9 Å²	53.9	18%	0.175	27%	0.27	C	S	.	.			trans	-65.9	147	176.3	29.5	-34.3	0	0	0	110.6	H130 R159 N160 M161	H130-P157 WeakPolarHBondContact CE1-CD 3.25Å; H130-P157 WeakPolarHBondContact ND1-CD 3.46Å; P157-R159 PolarHBondContact O-N 3.23Å; P157-R159 VanDerWaalsContact O-N 3.1Å; P157-N160 HydrophobicContact CG-CB 4.23Å; P157-N160 PolarHBondContact O-N 3.06Å; P157-M161 PolarHBondContact O-N 3.06Å
158	L	92.6	Very high	94.3	Very high	93 Å²	93	58 Å²	58	49%	0.487	29%	0.287	S	S	.	.	H	α-helix	trans	-48.4	-44.9	-178.1	179.4	63.1	0	0	0	112.1	N160 M161 R162 E190	L158-N160 PolarHBondContact O-N 2.79Å; L158-N160 VanDerWaalsContact O-N 3.13Å; L158-M161 CarbonylContact O-C 3.14Å; L158-M161 PolarHBondContact O-N 3.02Å; L158-R162 WeakPolarHBondContact O-CG 3.4Å; L158-R162 PolarHBondContact O-N 2.91Å; L158-E190 WeakPolarHBondContact CD1-OE2 3.45Å
159	R	94.1	Very high	95.9	Very high	196 Å²	196	54.4 Å²	54.4	74%	0.74	27%	0.268	S	S	*	.	H	α-helix	trans	-49.3	-41.4	178.7	-179.6	-178.7	132.7	-179.6	-1.6	113.4	P157	P157-R159 PolarHBondContact O-N 3.23Å; P157-R159 VanDerWaalsContact O-N 3.1Å
160	N	96.4	Very high	96.5	Very high	29 Å²	29	48.6 Å²	48.6	16%	0.155	24%	0.236	C	C	.	.	H	α-helix	trans	-89.4	-18.6	-177.3	-67.8	-21.5	0	0	0	112.5	H130 P157 L158 G167 I168 V169 Y170	H130-N160 PolarHBondContact CD2-ND2 3.1Å; H130-N160 PolarHBondContact NE2-ND2 2.95Å; H130-N160 VanDerWaalsContact NE2-ND2 3.11Å; P157-N160 HydrophobicContact CG-CB 4.23Å; P157-N160 PolarHBondContact O-N 3.06Å; L158-N160 PolarHBondContact O-N 2.79Å; L158-N160 VanDerWaalsContact O-N 3.13Å; N160-G167 CarbonylContact O-C 3.59Å; N160-G167 WeakPolarHBondContact O-CA 3.32Å; N160-I168 PolarHBondContact O-N 2.96Å; N160-V169 HydrophobicContact CB-CB 4.37Å; N160-V169 HydrophobicContact CB-CG2 4.09Å; N160-V169 WeakPolarHBondContact O-CB 3.4Å; N160-V169 PolarHBondContact O-N 3.29Å; N160-Y170 PolarHBondContact O-N 3.06Å
161	M	96.9	Very high	96.7	Very high	19 Å²	19	50.1 Å²	50.1	9%	0.094	24%	0.244	C	C	.	.	H	α-helix	trans	-107.5	10.4	-174.8	-61.1	-59.7	-70.7	0	0	113.8	H130 V154 P157 L158 V169 L173 A187	H130-M161 HydrophobicContact CB-SD 4.34Å; V154-M161 HydrophobicContact CB-CE 4.42Å; V154-M161 HydrophobicContact CG1-CE 4.21Å; P157-M161 PolarHBondContact O-N 3.06Å; L158-M161 CarbonylContact O-C 3.14Å; L158-M161 PolarHBondContact O-N 3.02Å; M161-V169 HydrophobicContact SD-CB 3.95Å; M161-V169 HydrophobicContact SD-CG1 3.75Å; M161-L173 HydrophobicContact CE-CD1 3.94Å; M161-A187 HydrophobicContact CE-CB 3.91Å
162	R	96	Very high	96.7	Very high	95 Å²	95	53.1 Å²	53.1	36%	0.358	26%	0.258	S	S	.	.			trans	-60	139.4	178.5	-53.6	170.7	60.9	147.5	7	111.5	L158 D164 G167 Y170	L158-R162 WeakPolarHBondContact O-CG 3.4Å; L158-R162 PolarHBondContact O-N 2.91Å; R162-D164 WeakPolarHBondContact CB-OD1 3.46Å; R162-D164 IonicContact CZ-OD1 3.09Å; R162-D164 IonicContact CZ-OD2 3.83Å; R162-D164 IonicContact NE-OD1 3.36Å; R162-D164 PolarHBondContact NE-OD1 3.36Å; R162-D164 VanDerWaalsContact NE-OD1 3.11Å; R162-D164 IonicContact NE-OD2 3.67Å; R162-D164 PolarHBondContact NE-OD2 3.4Å; R162-D164 IonicContact NH2-OD2 3.28Å; R162-D164 PolarHBondContact NH2-OD2 3.29Å; R162-G167 WeakPolarHBondContact O-CA 3.49Å; R162-G167 PolarHBondContact O-N 2.91Å; R162-Y170 WeakPolarHBondContact O-CB 3.31Å
163	K	95.4	Very high	96.7	Very high	118 Å²	118	53 Å²	53	51%	0.513	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-6.9	-178.6	-53.6	178.5	-170.5	167.8	0	113.7	G165 Y170	K163-G165 PolarHBondContact O-N 2.86Å; K163-Y170 HydrophobicContact CB-CD1 4.48Å; K163-Y170 HydrophobicContact CB-CE1 4.09Å; K163-Y170 HydrophobicContact CD-CE2 4.36Å; K163-Y170 HydrophobicContact CG-CD1 4.44Å; K163-Y170 HydrophobicContact CG-CD2 4.18Å; K163-Y170 HydrophobicContact CG-CE1 4.07Å; K163-Y170 HydrophobicContact CG-CE2 3.8Å; K163-Y170 HydrophobicContact CG-CG 4.49Å
164	D	95.2	Very high	96.6	Very high	89 Å²	89	57.8 Å²	57.8	48%	0.476	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	21.6	-176.6	66.5	-8.3	0	0	0	113.9	R162 K166	R162-D164 WeakPolarHBondContact CB-OD1 3.46Å; R162-D164 IonicContact CZ-OD1 3.09Å; R162-D164 IonicContact CZ-OD2 3.83Å; R162-D164 IonicContact NE-OD1 3.36Å; R162-D164 PolarHBondContact NE-OD1 3.36Å; R162-D164 VanDerWaalsContact NE-OD1 3.11Å; R162-D164 IonicContact NE-OD2 3.67Å; R162-D164 PolarHBondContact NE-OD2 3.4Å; R162-D164 IonicContact NH2-OD2 3.28Å; R162-D164 PolarHBondContact NH2-OD2 3.29Å; D164-K166 PolarHBondContact O-N 3.01Å; D164-K166 WeakPolarHBondContact OD1-CB 3.42Å; D164-K166 PolarHBondContact OD1-N 3.37Å
165	G	94.9	Very high	96.6	Very high	46 Å²	46	63.1 Å²	63.1	47%	0.474	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.4	-5.2	-176.2	0	0	0	0	0	114.9	K163 N171	K163-G165 PolarHBondContact O-N 2.86Å; G165-N171 PolarHBondContact O-ND2 2.84Å
166	K	97.2	Very high	96.5	Very high	146 Å²	146	63 Å²	63	64%	0.635	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-9	177.5	-59.3	-179.2	-179.2	177.9	0	113.8	D164 I168	D164-K166 PolarHBondContact O-N 3.01Å; D164-K166 WeakPolarHBondContact OD1-CB 3.42Å; D164-K166 PolarHBondContact OD1-N 3.37Å; K166-I168 PolarHBondContact O-N 3.42Å
167	G	97.5	Very high	96.5	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	30%	0.304	C	S	.	.			trans	-83.3	98.2	177.8	0	0	0	0	0	111.1	N160 R162 V169 Y170 N171	N160-G167 CarbonylContact O-C 3.59Å; N160-G167 WeakPolarHBondContact O-CA 3.32Å; R162-G167 WeakPolarHBondContact O-CA 3.49Å; R162-G167 PolarHBondContact O-N 2.91Å; G167-V169 VanDerWaalsContact C-N 3.3Å; G167-V169 PolarHBondContact O-N 2.92Å; G167-Y170 PolarHBondContact O-N 3.13Å; G167-Y170 VanDerWaalsContact O-N 3.16Å; G167-N171 WeakPolarHBondContact O-CB 3.36Å; G167-N171 PolarHBondContact O-N 3.43Å; G167-N171 PolarHBondContact O-ND2 2.88Å
168	I	98.2	Very high	96.7	Very high	102 Å²	102	67.1 Å²	67.1	52%	0.523	32%	0.319	S	S	.	.	H	α-helix	trans	-52.6	-47.6	-175.2	-62.3	171.6	0	0	0	111.6	N160 K166 N171 M172	N160-I168 PolarHBondContact O-N 2.96Å; K166-I168 PolarHBondContact O-N 3.42Å; I168-N171 PolarHBondContact O-N 3.05Å; I168-M172 HydrophobicContact CG2-CE 3.78Å; I168-M172 HydrophobicContact CG2-SD 4.4Å; I168-M172 WeakPolarHBondContact O-CG 3.27Å; I168-M172 PolarHBondContact O-N 3.13Å; I168-M172 VanDerWaalsContact O-N 3.14Å
169	V	98.4	Very high	96.8	Very high	10 Å²	10	67.6 Å²	67.6	6%	0.061	32%	0.322	C	S	.	.	H	α-helix	trans	-73.6	-39.7	-178.2	177.9	0	0	0	0	111.2	H130 V133 N160 M161 G167 N171 M172 L173	H130-V169 HydrophobicContact CB-CB 4.36Å; H130-V169 HydrophobicContact CB-CG1 3.99Å; H130-V169 HydrophobicContact CB-CG2 4.14Å; V133-V169 HydrophobicContact CB-CG1 3.89Å; V133-V169 HydrophobicContact CG1-CG1 4.04Å; V133-V169 HydrophobicContact CG2-CG1 3.7Å; N160-V169 HydrophobicContact CB-CB 4.37Å; N160-V169 HydrophobicContact CB-CG2 4.09Å; N160-V169 WeakPolarHBondContact O-CB 3.4Å; N160-V169 PolarHBondContact O-N 3.29Å; M161-V169 HydrophobicContact SD-CB 3.95Å; M161-V169 HydrophobicContact SD-CG1 3.75Å; G167-V169 VanDerWaalsContact C-N 3.3Å; G167-V169 PolarHBondContact O-N 2.92Å; V169-N171 VanDerWaalsContact C-N 3.29Å; V169-N171 PolarHBondContact O-N 2.65Å; V169-M172 WeakPolarHBondContact O-CB 3.06Å; V169-M172 PolarHBondContact O-N 3.45Å; V169-L173 HydrophobicContact CG1-CD1 4.11Å; V169-L173 HydrophobicContact CG1-CG 4.39Å; V169-L173 WeakPolarHBondContact O-CG 3.37Å; V169-L173 PolarHBondContact O-N 3.33Å
170	Y	98.4	Very high	96.9	Very high	14 Å²	14	60.5 Å²	60.5	6%	0.055	30%	0.295	C	S	.	.	H	α-helix	trans	-59	-42.6	174.6	-173.8	-91.7	0	0	0	111.8	I67 Q70 N160 R162 K163 G167 L173 R174	I67-Y170 HydrophobicContact CD1-CD2 4.06Å; I67-Y170 HydrophobicContact CD1-CE2 3.9Å; I67-Y170 HydrophobicContact CG1-CE2 3.92Å; I67-Y170 HydrophobicContact CG2-CE2 4.45Å; Q70-Y170 PolarHBondContact NE2-OH 3.25Å; N160-Y170 PolarHBondContact O-N 3.06Å; R162-Y170 WeakPolarHBondContact O-CB 3.31Å; K163-Y170 HydrophobicContact CB-CD1 4.48Å; K163-Y170 HydrophobicContact CB-CE1 4.09Å; K163-Y170 HydrophobicContact CD-CE2 4.36Å; K163-Y170 HydrophobicContact CG-CD1 4.44Å; K163-Y170 HydrophobicContact CG-CD2 4.18Å; K163-Y170 HydrophobicContact CG-CE1 4.07Å; K163-Y170 HydrophobicContact CG-CE2 3.8Å; K163-Y170 HydrophobicContact CG-CG 4.49Å; G167-Y170 PolarHBondContact O-N 3.13Å; G167-Y170 VanDerWaalsContact O-N 3.16Å; Y170-L173 PolarHBondContact O-N 2.8Å; Y170-R174 WeakPolarHBondContact O-CB 3.35Å; Y170-R174 PolarHBondContact O-N 2.85Å
171	N	98.4	Very high	96.7	Very high	45 Å²	45	64 Å²	64	24%	0.241	32%	0.32	C	S	.	.	H	α-helix	trans	-62.5	-43.1	177.4	-68.4	-19.8	0	0	0	112.1	G165 G167 I168 V169 L173 R174 Q175	G165-N171 PolarHBondContact O-ND2 2.84Å; G167-N171 WeakPolarHBondContact O-CB 3.36Å; G167-N171 PolarHBondContact O-N 3.43Å; G167-N171 PolarHBondContact O-ND2 2.88Å; I168-N171 PolarHBondContact O-N 3.05Å; V169-N171 VanDerWaalsContact C-N 3.29Å; V169-N171 PolarHBondContact O-N 2.65Å; N171-L173 VanDerWaalsContact C-N 3.35Å; N171-L173 PolarHBondContact O-N 2.8Å; N171-R174 PolarHBondContact O-N 2.82Å; N171-Q175 PolarHBondContact O-N 3.37Å
172	M	98.3	Very high	96.5	Very high	66 Å²	66	70 Å²	70	33%	0.325	35%	0.347	S	S	.	.	H	α-helix	trans	-59.7	-44.3	174.5	-71.8	172.9	176.1	0	0	111.8	V133 L137 I168 V169 Q175 A176	V133-M172 HydrophobicContact CG1-CB 4.48Å; L137-M172 HydrophobicContact CD1-CB 3.75Å; L137-M172 HydrophobicContact CD1-CG 4.25Å; L137-M172 HydrophobicContact CD1-SD 4.29Å; I168-M172 HydrophobicContact CG2-CE 3.78Å; I168-M172 HydrophobicContact CG2-SD 4.4Å; I168-M172 WeakPolarHBondContact O-CG 3.27Å; I168-M172 PolarHBondContact O-N 3.13Å; I168-M172 VanDerWaalsContact O-N 3.14Å; V169-M172 WeakPolarHBondContact O-CB 3.06Å; V169-M172 PolarHBondContact O-N 3.45Å; M172-Q175 PolarHBondContact O-N 3.31Å; M172-A176 WeakPolarHBondContact O-CB 3.04Å; M172-A176 PolarHBondContact O-N 2.02Å
173	L	98.3	Very high	96.4	Very high	3 Å²	3	66 Å²	66	2%	0.016	34%	0.335	C	S	.	.	H	α-helix	trans	-67.7	-37.2	177.8	-66.1	168.5	0	0	0	112.5	I67 V133 V154 M161 V169 Y170 N171 A176 S177 I185	I67-L173 HydrophobicContact CD1-CB 3.64Å; I67-L173 HydrophobicContact CD1-CD1 3.77Å; I67-L173 HydrophobicContact CD1-CG 4.35Å; V133-L173 HydrophobicContact CG1-CD2 3.76Å; V133-L173 HydrophobicContact CG1-CG 4.15Å; V133-L173 HydrophobicContact CG2-CD2 4.04Å; V154-L173 HydrophobicContact CB-CD1 3.93Å; V154-L173 HydrophobicContact CG1-CD1 3.9Å; V154-L173 HydrophobicContact CG2-CD1 3.88Å; V154-L173 HydrophobicContact CG2-CD2 3.92Å; M161-L173 HydrophobicContact CE-CD1 3.94Å; V169-L173 HydrophobicContact CG1-CD1 4.11Å; V169-L173 HydrophobicContact CG1-CG 4.39Å; V169-L173 WeakPolarHBondContact O-CG 3.37Å; V169-L173 PolarHBondContact O-N 3.33Å; Y170-L173 PolarHBondContact O-N 2.8Å; N171-L173 VanDerWaalsContact C-N 3.35Å; N171-L173 PolarHBondContact O-N 2.8Å; L173-A176 PolarHBondContact O-N 2.02Å; L173-S177 WeakPolarHBondContact O-CB 3.03Å; L173-S177 PolarHBondContact O-N 3.01Å; L173-I185 HydrophobicContact CB-CG2 4.38Å; L173-I185 HydrophobicContact CD2-CG2 4Å
174	R	98	Very high	96.4	Very high	102 Å²	102	64.8 Å²	64.8	39%	0.385	33%	0.327	S	S	.	.	H	α-helix	trans	-60.5	-48.9	174.1	-177.2	-179.1	69	95.8	-6.4	110.5	I67 Y170 N171 A176 S177 E178	I67-R174 HydrophobicContact CG2-CB 4.11Å; Y170-R174 WeakPolarHBondContact O-CB 3.35Å; Y170-R174 PolarHBondContact O-N 2.85Å; N171-R174 PolarHBondContact O-N 2.82Å; R174-A176 VanDerWaalsContact C-N 3.3Å; R174-A176 PolarHBondContact O-N 2.82Å; R174-S177 WeakPolarHBondContact O-CB 3.42Å; R174-S177 PolarHBondContact O-N 3.11Å; R174-E178 WeakPolarHBondContact CG-OE1 3.06Å; R174-E178 IonicContact CZ-OE1 3.88Å; R174-E178 IonicContact NH1-OE1 2.82Å; R174-E178 PolarHBondContact NH1-OE1 2.89Å; R174-E178 IonicContact NH1-OE2 3.93Å; R174-E178 WeakPolarHBondContact O-CG 3.42Å; R174-E178 PolarHBondContact O-N 3.37Å
175	Q	97.8	Very high	96.6	Very high	114 Å²	114	60.7 Å²	60.7	53%	0.533	31%	0.305	S	S	.	.	H	α-helix	trans	-61.3	-39.3	176.3	-171.8	179.3	19.2	0	0	111.9	N171 M172 E178 N179	N171-Q175 PolarHBondContact O-N 3.37Å; M172-Q175 PolarHBondContact O-N 3.31Å; Q175-E178 PolarHBondContact O-N 3.09Å; Q175-N179 WeakPolarHBondContact O-CB 3.35Å; Q175-N179 VanDerWaalsContact O-CG 3.3Å; Q175-N179 PolarHBondContact O-N 2.76Å; Q175-N179 PolarHBondContact O-ND2 2.81Å
176	A	96.6	Very high	96.7	Very high	4 Å²	4	59.6 Å²	59.6	3%	0.033	29%	0.287	C	S	.	.	H	α-helix	trans	-63.4	-42	174.7	0	0	0	0	0	112.3	L137 F144 M172 L173 R174 E178 N179 Y180 I185	L137-A176 HydrophobicContact CD2-CB 3.85Å; F144-A176 HydrophobicContact CE2-CB 4.43Å; M172-A176 WeakPolarHBondContact O-CB 3.04Å; M172-A176 PolarHBondContact O-N 2.02Å; L173-A176 PolarHBondContact O-N 2.02Å; R174-A176 VanDerWaalsContact C-N 3.3Å; R174-A176 PolarHBondContact O-N 2.82Å; A176-E178 VanDerWaalsContact C-N 3.32Å; A176-E178 PolarHBondContact O-N 2.97Å; A176-N179 PolarHBondContact O-N 3.36Å; A176-Y180 WeakPolarHBondContact O-CB 3.37Å; A176-Y180 WeakPolarHBondContact O-CD2 3.46Å; A176-Y180 PolarHBondContact O-N 3.41Å; A176-I185 HydrophobicContact CB-CD1 4.1Å
177	S	95.7	Very high	96.8	Very high	16 Å²	16	52.9 Å²	52.9	11%	0.112	26%	0.259	C	S	.	.	H	α-helix	trans	-64.3	-36.5	176	-173.6	0	0	0	0	112.2	I67 L173 R174 Y180	I67-S177 PolarHBondContact O-OG 2.99Å; L173-S177 WeakPolarHBondContact O-CB 3.03Å; L173-S177 PolarHBondContact O-N 3.01Å; R174-S177 WeakPolarHBondContact O-CB 3.42Å; R174-S177 PolarHBondContact O-N 3.11Å; S177-Y180 CarbonylContact O-C 3.57Å
178	E	95.9	Very high	96.8	Very high	102 Å²	102	53.6 Å²	53.6	48%	0.477	26%	0.263	S	S	.	.	H	α-helix	trans	-66.9	-42.5	174.1	-71.2	165.5	-175.1	0	0	111.9	R174 Q175 A176	R174-E178 WeakPolarHBondContact CG-OE1 3.06Å; R174-E178 IonicContact CZ-OE1 3.88Å; R174-E178 IonicContact NH1-OE1 2.82Å; R174-E178 PolarHBondContact NH1-OE1 2.89Å; R174-E178 IonicContact NH1-OE2 3.93Å; R174-E178 WeakPolarHBondContact O-CG 3.42Å; R174-E178 PolarHBondContact O-N 3.37Å; Q175-E178 PolarHBondContact O-N 3.09Å; A176-E178 VanDerWaalsContact C-N 3.32Å; A176-E178 PolarHBondContact O-N 2.97Å
179	N	95.7	Very high	96.8	Very high	104 Å²	104	50 Å²	50	56%	0.556	25%	0.245	S	C	*	.	H	α-helix	trans	-75.4	-24.7	179.7	-70.8	-16.9	0	0	0	113.7	Q175 A176	Q175-N179 WeakPolarHBondContact O-CB 3.35Å; Q175-N179 VanDerWaalsContact O-CG 3.3Å; Q175-N179 PolarHBondContact O-N 2.76Å; Q175-N179 PolarHBondContact O-ND2 2.81Å; A176-N179 PolarHBondContact O-N 3.36Å
180	Y	95.5	Very high	96.6	Very high	47 Å²	47	54.2 Å²	54.2	18%	0.184	27%	0.265	C	S	.	.			trans	-128.6	78.3	-179.9	-61.8	-92	0	0	0	109.7	P140 Q141 F144 A176 S177 H182 A183	P140-Y180 HydrophobicContact CB-CE2 3.82Å; P140-Y180 WeakPolarHBondContact CB-OH 3.44Å; P140-Y180 WeakPolarHBondContact CG-OH 3.5Å; Q141-Y180 PolarHBondContact N-OH 3.29Å; F144-Y180 HydrophobicContact CB-CD1 3.83Å; F144-Y180 HydrophobicContact CB-CD2 3.83Å; F144-Y180 HydrophobicContact CB-CE1 4.36Å; F144-Y180 HydrophobicContact CB-CE2 4.4Å; F144-Y180 HydrophobicContact CB-CG 3.54Å; A176-Y180 WeakPolarHBondContact O-CB 3.37Å; A176-Y180 WeakPolarHBondContact O-CD2 3.46Å; A176-Y180 PolarHBondContact O-N 3.41Å; S177-Y180 CarbonylContact O-C 3.57Å; Y180-H182 PolarHBondContact O-N 3.43Å; Y180-A183 WeakPolarHBondContact O-CB 3.36Å; Y180-A183 PolarHBondContact O-N 3.16Å
181	P	92.6	Very high	96.5	Very high	103 Å²	103	59.7 Å²	59.7	67%	0.669	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-19.5	-171	-26.1	35.7	0	0	0	115.4
182	H	92.1	Very high	96.4	Very high	143 Å²	143	59 Å²	59	66%	0.662	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-12.2	175.5	-60.6	-58.7	0	0	0	113.2	Y180 R184	Y180-H182 PolarHBondContact O-N 3.43Å; H182-R184 PolarHBondContact O-N 3.23Å
183	A	94.2	Very high	96.3	Very high	13 Å²	13	56.6 Å²	56.6	11%	0.107	28%	0.277	C	S	.	.			trans	-66.4	128.6	179.7	0	0	0	0	0	110.8	F144 Y180 I185	F144-A183 HydrophobicContact CB-CB 4Å; F144-A183 HydrophobicContact CD1-CB 4.15Å; F144-A183 HydrophobicContact CG-CB 4.46Å; Y180-A183 WeakPolarHBondContact O-CB 3.36Å; Y180-A183 PolarHBondContact O-N 3.16Å; A183-I185 HydrophobicContact CB-CD1 4.1Å; A183-I185 HydrophobicContact CB-CG1 4.04Å; A183-I185 PolarHBondContact O-N 3.15Å
184	R	96.5	Very high	96.1	Very high	91 Å²	91	60.4 Å²	60.4	34%	0.343	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	80.2	-177.7	-65.8	-176.6	65.4	-170	-2.2	110.2	V151 Y152 H182 Y186	V151-R184 HydrophobicContact CG2-CB 4.29Å; Y152-R184 PolarHBondContact N-O 2.98Å; H182-R184 PolarHBondContact O-N 3.23Å; R184-Y186 HydrophobicContact CB-CE2 4.18Å
185	I	97.7	Very high	95.9	Very high	3 Å²	3	60.2 Å²	60.2	2%	0.015	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	124.9	-175.8	-51.3	175.8	0	0	0	110.5	S66 I67 F144 V154 L173 A176 A183	S66-I185 CarbonylContact C-O 3.54Å; S66-I185 WeakPolarHBondContact CA-O 3.43Å; I67-I185 HydrophobicContact CD1-CG2 4.16Å; I67-I185 PolarHBondContact N-O 3.18Å; F144-I185 HydrophobicContact CD1-CD1 3.98Å; F144-I185 HydrophobicContact CD1-CG1 4.32Å; F144-I185 HydrophobicContact CE1-CD1 3.88Å; F144-I185 HydrophobicContact CE1-CG1 4.21Å; V154-I185 HydrophobicContact CG2-CG2 4.43Å; L173-I185 HydrophobicContact CB-CG2 4.38Å; L173-I185 HydrophobicContact CD2-CG2 4Å; A176-I185 HydrophobicContact CB-CD1 4.1Å; A183-I185 HydrophobicContact CB-CD1 4.1Å; A183-I185 HydrophobicContact CB-CG1 4.04Å; A183-I185 PolarHBondContact O-N 3.15Å
186	Y	98.5	Very high	95.8	Very high	24 Å²	24	54.8 Å²	54.8	9%	0.094	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	146	179.4	-65.9	-101.4	0	0	0	110.5	V65 S66 L73 V151 Y152 V154 R184	V65-Y186 VanDerWaalsContact C-CD1 3.46Å; V65-Y186 CarbonylContact O-C 3.6Å; V65-Y186 WeakPolarHBondContact O-CA 3.2Å; S66-Y186 VanDerWaalsContact N-CD1 3.32Å; L73-Y186 HydrophobicContact CB-CD1 3.78Å; L73-Y186 HydrophobicContact CB-CE1 3.77Å; L73-Y186 HydrophobicContact CB-CG 4.48Å; L73-Y186 HydrophobicContact CD1-CD1 4.25Å; L73-Y186 HydrophobicContact CD1-CD2 4.23Å; L73-Y186 HydrophobicContact CD1-CE1 3.89Å; L73-Y186 HydrophobicContact CD1-CE2 3.84Å; L73-Y186 HydrophobicContact CD1-CG 4.43Å; L73-Y186 HydrophobicContact CG-CD1 4.46Å; L73-Y186 HydrophobicContact CG-CE1 4.4Å; V151-Y186 HydrophobicContact CG1-CD2 3.71Å; V151-Y186 HydrophobicContact CG1-CE2 3.88Å; Y152-Y186 PolarHBondContact O-N 2.93Å; V154-Y186 PolarHBondContact N-O 3.49Å; R184-Y186 HydrophobicContact CB-CE2 4.18Å
187	A	98.4	Very high	95.6	Very high	5 Å²	5	55.6 Å²	55.6	4%	0.041	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	138.9	168.7	0	0	0	0	0	110.6	Y64 V65 I67 V154 M161	Y64-A187 WeakPolarHBondContact CA-O 3.22Å; V65-A187 PolarHBondContact N-O 3.42Å; V65-A187 PolarHBondContact O-N 2.66Å; I67-A187 HydrophobicContact CD1-CB 4.1Å; I67-A187 HydrophobicContact CG1-CB 4.31Å; V154-A187 WeakPolarHBondContact O-CA 3.2Å; M161-A187 HydrophobicContact CE-CB 3.91Å
188	T	98.3	Very high	95.5	Very high	14 Å²	14	60.3 Å²	60.3	9%	0.086	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	130.2	165	-54	0	0	0	0	109.4	G63 Y64 V154 R192 M193	G63-T188 WeakPolarHBondContact O-CA 3.16Å; Y64-T188 HydrophobicContact CD1-CG2 4.22Å; Y64-T188 HydrophobicContact CE1-CG2 3.88Å; V154-T188 PolarHBondContact O-N 3.11Å; V154-T188 PolarHBondContact O-OG1 3.17Å; T188-R192 HydrophobicContact CG2-CB 3.72Å; T188-R192 HydrophobicContact CG2-CG 3.71Å; T188-M193 HydrophobicContact CG2-CG 3.96Å; T188-M193 HydrophobicContact CG2-SD 3.8Å
189	T	97.2	Very high	95.4	Very high	26 Å²	26	56.4 Å²	56.4	16%	0.16	28%	0.281	C	S	.	.			trans	-72.2	160.1	179.6	64.2	0	0	0	0	111.6	G63 V65 D191 R192 M193	G63-T189 PolarHBondContact O-N 3.5Å; G63-T189 PolarHBondContact O-OG1 3.33Å; V65-T189 HydrophobicContact CG1-CG2 3.88Å; V65-T189 HydrophobicContact CG2-CG2 3.98Å; T189-D191 VanDerWaalsContact C-N 3.33Å; T189-D191 PolarHBondContact O-N 3.47Å; T189-R192 PolarHBondContact O-N 2.92Å; T189-R192 VanDerWaalsContact O-N 3.14Å; T189-R192 WeakPolarHBondContact OG1-CB 3.42Å; T189-R192 PolarHBondContact OG1-N 3.34Å; T189-M193 WeakPolarHBondContact O-CG 3.31Å; T189-M193 PolarHBondContact O-N 3.45Å
190	E	95.2	Very high	95.3	Very high	100 Å²	100	51.7 Å²	51.7	47%	0.467	26%	0.255	S	S	.	.	H	α-helix	trans	-58.8	-44.2	175.7	-175.1	173.9	175.6	0	0	111.7	L158 R192 M193 N194	L158-E190 WeakPolarHBondContact CD1-OE2 3.45Å; E190-R192 VanDerWaalsContact C-N 3.27Å; E190-R192 PolarHBondContact O-N 3.26Å; E190-M193 WeakPolarHBondContact O-CB 3.47Å; E190-M193 PolarHBondContact O-N 3.03Å; E190-M193 VanDerWaalsContact O-N 3.14Å; E190-N194 VanDerWaalsContact O-CG 3.3Å; E190-N194 PolarHBondContact O-N 2.85Å; E190-N194 PolarHBondContact O-ND2 3.28Å
191	D	95.6	Very high	95.1	Very high	129 Å²	129	53.8 Å²	53.8	69%	0.69	27%	0.265	S	S	*	.	H	α-helix	trans	-58.7	-39.3	175.3	-64.1	-26.5	0	0	0	112.2	T189 N194 Y195	T189-D191 VanDerWaalsContact C-N 3.33Å; T189-D191 PolarHBondContact O-N 3.47Å; D191-N194 PolarHBondContact O-N 3.4Å; D191-Y195 WeakPolarHBondContact O-CB 3.28Å; D191-Y195 PolarHBondContact O-N 3.36Å
192	R	96.8	Very high	95.2	Very high	31 Å²	31	57.3 Å²	57.3	12%	0.117	27%	0.27	C	S	.	.	H	α-helix	trans	-72.3	-36	177.9	-170.9	58.4	173	177.2	3.5	112	G63 Y64 T188 T189 E190 Y195 C196 D227	G63-R192 WeakPolarHBondContact O-CB 3.39Å; Y64-R192 HydrophobicContact CE1-CG 4.06Å; Y64-R192 HydrophobicContact CE2-CG 4.29Å; Y64-R192 PolarHBondContact OH-NE 3.44Å; T188-R192 HydrophobicContact CG2-CB 3.72Å; T188-R192 HydrophobicContact CG2-CG 3.71Å; T189-R192 PolarHBondContact O-N 2.92Å; T189-R192 VanDerWaalsContact O-N 3.14Å; T189-R192 WeakPolarHBondContact OG1-CB 3.42Å; T189-R192 PolarHBondContact OG1-N 3.34Å; E190-R192 VanDerWaalsContact C-N 3.27Å; E190-R192 PolarHBondContact O-N 3.26Å; R192-Y195 PolarHBondContact O-N 3.09Å; R192-C196 PolarHBondContact O-N 3.14Å; R192-C196 PolarHBondContact O-SG 3.14Å; R192-D227 IonicContact CZ-OD1 3.63Å; R192-D227 IonicContact CZ-OD2 3.56Å; R192-D227 VanDerWaalsContact CZ-OD2 3.28Å; R192-D227 IonicContact NE-OD2 3.78Å; R192-D227 IonicContact NH2-OD1 3.77Å; R192-D227 PolarHBondContact NH2-OD1 3.29Å; R192-D227 IonicContact NH2-OD2 3.67Å; R192-D227 PolarHBondContact NH2-OD2 3.47Å
193	M	95.4	Very high	95.3	Very high	15 Å²	15	52.9 Å²	52.9	7%	0.074	25%	0.249	C	C	.	.	H	α-helix	trans	-60.2	-47.7	170.8	-70.1	-63.1	-60	0	0	111	W155 T188 T189 E190 Y195 C196 D197 F220	W155-M193 HydrophobicContact CB-SD 3.93Å; W155-M193 HydrophobicContact CE3-CE 3.99Å; T188-M193 HydrophobicContact CG2-CG 3.96Å; T188-M193 HydrophobicContact CG2-SD 3.8Å; T189-M193 WeakPolarHBondContact O-CG 3.31Å; T189-M193 PolarHBondContact O-N 3.45Å; E190-M193 WeakPolarHBondContact O-CB 3.47Å; E190-M193 PolarHBondContact O-N 3.03Å; E190-M193 VanDerWaalsContact O-N 3.14Å; M193-Y195 VanDerWaalsContact C-N 3.31Å; M193-Y195 PolarHBondContact O-N 3.35Å; M193-C196 WeakPolarHBondContact O-CB 3.47Å; M193-C196 PolarHBondContact O-N 3.25Å; M193-C196 VanDerWaalsContact O-N 3.17Å; M193-D197 PolarHBondContact O-N 3.31Å; M193-D197 VanDerWaalsContact O-N 3.09Å; M193-F220 HydrophobicContact CE-CE1 3.69Å; M193-F220 HydrophobicContact CE-CZ 3.53Å; M193-F220 HydrophobicContact SD-CD1 4.31Å; M193-F220 HydrophobicContact SD-CE1 3.56Å; M193-F220 VanDerWaalsContact SD-CE1 3.56Å; M193-F220 HydrophobicContact SD-CZ 4.03Å
194	N	93.7	Very high	95.1	Very high	82 Å²	82	54 Å²	54	44%	0.439	26%	0.255	S	S	.	.	H	α-helix	trans	-62.6	-37.9	177.2	-68.5	-23.7	0	0	0	111.9	E190 D191 D197 M198	E190-N194 VanDerWaalsContact O-CG 3.3Å; E190-N194 PolarHBondContact O-N 2.85Å; E190-N194 PolarHBondContact O-ND2 3.28Å; D191-N194 PolarHBondContact O-N 3.4Å; N194-D197 PolarHBondContact O-N 3.45Å; N194-M198 WeakPolarHBondContact O-CB 3.33Å; N194-M198 PolarHBondContact O-N 2.89Å
195	Y	95.4	Very high	94.7	Very high	98 Å²	98	52.6 Å²	52.6	38%	0.384	27%	0.269	S	S	.	.	H	α-helix	trans	-61.2	-45.6	172.8	174.9	-92.1	0	0	0	112	D191 R192 M193 D197 M198 V199 I223	D191-Y195 WeakPolarHBondContact O-CB 3.28Å; D191-Y195 PolarHBondContact O-N 3.36Å; R192-Y195 PolarHBondContact O-N 3.09Å; M193-Y195 VanDerWaalsContact C-N 3.31Å; M193-Y195 PolarHBondContact O-N 3.35Å; Y195-D197 VanDerWaalsContact C-N 3.31Å; Y195-D197 PolarHBondContact O-N 3.39Å; Y195-M198 HydrophobicContact CD2-CE 4.4Å; Y195-M198 WeakPolarHBondContact O-CB 3.41Å; Y195-M198 PolarHBondContact O-N 2.9Å; Y195-V199 HydrophobicContact CD1-CG2 4.05Å; Y195-V199 HydrophobicContact CD2-CG2 4.44Å; Y195-V199 HydrophobicContact CE1-CG2 3.57Å; Y195-V199 HydrophobicContact CE2-CG2 4Å; Y195-V199 HydrophobicContact CG-CG2 4.47Å; Y195-V199 WeakPolarHBondContact O-CG2 3.15Å; Y195-V199 PolarHBondContact O-N 2.68Å; Y195-I223 HydrophobicContact CE1-CG2 4.26Å
196	C	94.9	Very high	93.8	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-60.5	-40.5	177.2	-67.4	0	0	0	0	112.2	R192 M193 F200 L215 W219 F220 I223	R192-C196 PolarHBondContact O-N 3.14Å; R192-C196 PolarHBondContact O-SG 3.14Å; M193-C196 WeakPolarHBondContact O-CB 3.47Å; M193-C196 PolarHBondContact O-N 3.25Å; M193-C196 VanDerWaalsContact O-N 3.17Å; C196-F200 PolarHBondContact O-N 2.81Å; C196-F200 VanDerWaalsContact O-N 3.13Å; C196-L215 HydrophobicContact CB-CD1 4.18Å; C196-W219 PolarHBondContact O-NE1 3.31Å; C196-F220 HydrophobicContact CB-CD1 4.07Å; C196-F220 HydrophobicContact CB-CE1 3.62Å; C196-F220 HydrophobicContact CB-CZ 4.46Å; C196-I223 HydrophobicContact CB-CD1 4.06Å
197	D	91.8	Very high	92.7	Very high	22 Å²	22	59.4 Å²	59.4	12%	0.118	30%	0.301	C	S	.	.	H	α-helix	trans	-65	-42.6	174.9	-73.7	-20.3	0	0	0	111.4	M193 N194 Y195 F200 K201 R208 L215	M193-D197 PolarHBondContact O-N 3.31Å; M193-D197 VanDerWaalsContact O-N 3.09Å; N194-D197 PolarHBondContact O-N 3.45Å; Y195-D197 VanDerWaalsContact C-N 3.31Å; Y195-D197 PolarHBondContact O-N 3.39Å; D197-F200 PolarHBondContact O-N 2.92Å; D197-K201 PolarHBondContact O-N 3.42Å; D197-R208 IonicContact OD1-NE 3.13Å; D197-R208 IonicContact OD2-CZ 2.74Å; D197-R208 IonicContact OD2-NE 2.98Å; D197-R208 IonicContact OD2-NH2 2.74Å; D197-L215 WeakPolarHBondContact OD1-CD1 3.42Å
198	M	93.6	Very high	91.3	Very high	115 Å²	115	61.9 Å²	61.9	57%	0.567	31%	0.309	S	S	*	.	H	α-helix	trans	-61.8	-44.7	176.6	-174.6	-152.3	-45.9	0	0	112.1	N194 Y195 F200 K201 K202	N194-M198 WeakPolarHBondContact O-CB 3.33Å; N194-M198 PolarHBondContact O-N 2.89Å; Y195-M198 HydrophobicContact CD2-CE 4.4Å; Y195-M198 WeakPolarHBondContact O-CB 3.41Å; Y195-M198 PolarHBondContact O-N 2.9Å; M198-F200 VanDerWaalsContact C-N 3.31Å; M198-F200 PolarHBondContact O-N 3.05Å; M198-K201 PolarHBondContact O-N 2.87Å; M198-K202 WeakPolarHBondContact O-CB 3.4Å; M198-K202 PolarHBondContact O-N 2.99Å
199	V	95	Very high	89.6	Confident	20 Å²	20	67.9 Å²	67.9	12%	0.121	34%	0.339	C	S	.	.	H	α-helix	trans	-60.6	-44.5	176.8	173.9	0	0	0	0	109.9	Y195 K201 K202 E203 W219 I223 W290	Y195-V199 HydrophobicContact CD1-CG2 4.05Å; Y195-V199 HydrophobicContact CD2-CG2 4.44Å; Y195-V199 HydrophobicContact CE1-CG2 3.57Å; Y195-V199 HydrophobicContact CE2-CG2 4Å; Y195-V199 HydrophobicContact CG-CG2 4.47Å; Y195-V199 WeakPolarHBondContact O-CG2 3.15Å; Y195-V199 PolarHBondContact O-N 2.68Å; V199-K201 PolarHBondContact O-N 2.67Å; V199-K202 PolarHBondContact O-N 2.87Å; V199-E203 HydrophobicContact CG1-CG 4.18Å; V199-E203 WeakPolarHBondContact O-CB 3.21Å; V199-E203 VanDerWaalsContact O-CG 3.27Å; V199-E203 WeakPolarHBondContact O-CG 3.38Å; V199-E203 PolarHBondContact O-N 3.27Å; V199-W219 HydrophobicContact CB-CZ2 4.27Å; V199-W219 HydrophobicContact CG1-CH2 4.38Å; V199-W219 HydrophobicContact CG1-CZ2 3.83Å; V199-I223 HydrophobicContact CB-CD1 4.39Å; V199-I223 HydrophobicContact CG1-CD1 4.37Å; V199-W290 HydrophobicContact CG1-CH2 4.16Å; V199-W290 HydrophobicContact CG1-CZ2 3.57Å
200	F	92.6	Very high	87.7	Confident	5 Å²	5	73.7 Å²	73.7	2%	0.022	37%	0.365	C	S	.	.	H	α-helix	trans	-60.5	-46.1	178.7	-177.3	-95.5	0	0	0	111.7	C196 D197 M198 K202 E203 T204 K206 L215 W219 R279 T282 E283	C196-F200 PolarHBondContact O-N 2.81Å; C196-F200 VanDerWaalsContact O-N 3.13Å; D197-F200 PolarHBondContact O-N 2.92Å; M198-F200 VanDerWaalsContact C-N 3.31Å; M198-F200 PolarHBondContact O-N 3.05Å; F200-K202 VanDerWaalsContact C-N 3.33Å; F200-K202 PolarHBondContact O-N 3.03Å; F200-E203 PolarHBondContact O-N 2.97Å; F200-T204 HydrophobicContact CD1-CG2 4.44Å; F200-T204 HydrophobicContact CD2-CG2 4.04Å; F200-T204 HydrophobicContact CE1-CG2 4.19Å; F200-T204 HydrophobicContact CE2-CG2 3.78Å; F200-T204 HydrophobicContact CG-CG2 4.37Å; F200-T204 HydrophobicContact CZ-CG2 3.86Å; F200-T204 WeakPolarHBondContact O-CB 3.39Å; F200-T204 WeakPolarHBondContact O-CG2 3.41Å; F200-T204 PolarHBondContact O-N 2.86Å; F200-T204 PolarHBondContact O-OG1 3.37Å; F200-K206 WeakPolarHBondContact CD1-O 3.06Å; F200-L215 HydrophobicContact CB-CD1 4.48Å; F200-L215 HydrophobicContact CB-CD2 3.7Å; F200-L215 HydrophobicContact CD1-CD2 4.07Å; F200-L215 HydrophobicContact CD2-CD2 3.33Å; F200-L215 HydrophobicContact CE2-CD2 3.91Å; F200-L215 HydrophobicContact CG-CD2 3.42Å; F200-L215 VanDerWaalsContact CG-CD2 3.42Å; F200-L215 HydrophobicContact CZ-CD2 4.49Å; F200-W219 VanDerWaalsContact CA-CZ2 3.4Å; F200-W219 HydrophobicContact CB-CH2 4.1Å; F200-W219 HydrophobicContact CB-CZ2 3.57Å; F200-W219 HydrophobicContact CD2-CD2 4.35Å; F200-W219 HydrophobicContact CD2-CE3 4.2Å; F200-W219 AromaticContact CD2-CH2 3.79Å; F200-W219 HydrophobicContact CD2-CH2 3.79Å; F200-W219 AromaticContact CD2-CZ2 3.96Å; F200-W219 HydrophobicContact CD2-CZ2 3.96Å; F200-W219 AromaticContact CD2-CZ3 3.92Å; F200-W219 HydrophobicContact CD2-CZ3 3.92Å; F200-W219 HydrophobicContact CG-CH2 4.42Å; F200-W219 HydrophobicContact CG-CZ2 4.27Å; F200-R279 HydrophobicContact CZ-CB 4.26Å; F200-R279 HydrophobicContact CZ-CG 4.38Å; F200-T282 HydrophobicContact CE2-CG2 4.37Å; F200-T282 HydrophobicContact CZ-CG2 4.26Å; F200-E283 HydrophobicContact CE2-CG 4.03Å
201	K	92	Very high	86	Confident	90 Å²	90	69.6 Å²	69.6	39%	0.391	35%	0.347	S	S	.	.	H	α-helix	trans	-60.8	-42.1	176.5	-175.8	176.6	-170.4	162.1	0	112.4	D197 M198 V199 E203 G205 K206 D207	D197-K201 PolarHBondContact O-N 3.42Å; M198-K201 PolarHBondContact O-N 2.87Å; V199-K201 PolarHBondContact O-N 2.67Å; K201-E203 VanDerWaalsContact C-N 3.35Å; K201-G205 VanDerWaalsContact O-CA 3.23Å; K201-G205 WeakPolarHBondContact O-CA 3.27Å; K201-G205 PolarHBondContact O-N 2.86Å; K201-K206 WeakPolarHBondContact CA-O 3.24Å; K201-D207 HydrophobicContact CD-CB 4.24Å; K201-D207 IonicContact NZ-OD2 2.89Å; K201-D207 PolarHBondContact NZ-OD2 3.32Å
202	K	93.9	Very high	84.3	Confident	178 Å²	178	64.2 Å²	64.2	77%	0.774	32%	0.322	S	S	*	.	H	α-helix	trans	-64.4	-39.6	177.9	-176.7	-179.6	177	-176.7	0	112	M198 V199 F200	M198-K202 WeakPolarHBondContact O-CB 3.4Å; M198-K202 PolarHBondContact O-N 2.99Å; V199-K202 PolarHBondContact O-N 2.87Å; F200-K202 VanDerWaalsContact C-N 3.33Å; F200-K202 PolarHBondContact O-N 3.03Å
203	E	94.2	Very high	83.1	Confident	49 Å²	49	63 Å²	63	23%	0.229	32%	0.318	C	S	.	.	H	α-helix	trans	-79.1	-31.1	-177.1	-66.3	-69	-179.6	0	0	113.1	V199 F200 K201 V286 K289 W290	V199-E203 HydrophobicContact CG1-CG 4.18Å; V199-E203 WeakPolarHBondContact O-CB 3.21Å; V199-E203 VanDerWaalsContact O-CG 3.27Å; V199-E203 WeakPolarHBondContact O-CG 3.38Å; V199-E203 PolarHBondContact O-N 3.27Å; F200-E203 PolarHBondContact O-N 2.97Å; K201-E203 VanDerWaalsContact C-N 3.35Å; E203-V286 HydrophobicContact CB-CB 4.44Å; E203-V286 HydrophobicContact CB-CG1 3.73Å; E203-V286 HydrophobicContact CB-CG2 3.77Å; E203-V286 HydrophobicContact CG-CG1 3.72Å; E203-K289 WeakPolarHBondContact OE2-CE 3.41Å; E203-K289 IonicContact OE2-NZ 2.7Å; E203-K289 PolarHBondContact OE2-NZ 2.96Å; E203-W290 HydrophobicContact CG-CZ2 4.21Å; E203-W290 PolarHBondContact OE1-NE1 3.43Å
204	T	90.5	Very high	82.3	Confident	37 Å²	37	67.2 Å²	67.2	23%	0.227	33%	0.334	C	S	.	.	H	α-helix	trans	-110.8	-14.4	-171.8	67.7	0	0	0	0	114.4	F200 K206 T282 V286	F200-T204 HydrophobicContact CD1-CG2 4.44Å; F200-T204 HydrophobicContact CD2-CG2 4.04Å; F200-T204 HydrophobicContact CE1-CG2 4.19Å; F200-T204 HydrophobicContact CE2-CG2 3.78Å; F200-T204 HydrophobicContact CG-CG2 4.37Å; F200-T204 HydrophobicContact CZ-CG2 3.86Å; F200-T204 WeakPolarHBondContact O-CB 3.39Å; F200-T204 WeakPolarHBondContact O-CG2 3.41Å; F200-T204 PolarHBondContact O-N 2.86Å; F200-T204 PolarHBondContact O-OG1 3.37Å; T204-K206 PolarHBondContact O-N 2.8Å; T204-K206 PolarHBondContact OG1-N 3.32Å; T204-K206 PolarHBondContact OG1-O 2.83Å; T204-T282 HydrophobicContact CG2-CG2 3.54Å; T204-V286 HydrophobicContact CG2-CG2 3.89Å
205	G	87.8	Confident	82.1	Confident	62 Å²	62	63.4 Å²	63.4	64%	0.639	31%	0.314	S	S	*	.	S	Bend	trans	72.4	2.7	-171.4	0	0	0	0	0	114.6	K201	K201-G205 VanDerWaalsContact O-CA 3.23Å; K201-G205 WeakPolarHBondContact O-CA 3.27Å; K201-G205 PolarHBondContact O-N 2.86Å
206	K	80	Confident	82.1	Confident	133 Å²	133	59.2 Å²	59.2	58%	0.578	30%	0.299	S	S	*	.			trans	-121.7	134.1	-177.5	-66.6	-179.3	-178.7	176.6	0	111.4	F200 K201 T204	F200-K206 WeakPolarHBondContact CD1-O 3.06Å; K201-K206 WeakPolarHBondContact CA-O 3.24Å; T204-K206 PolarHBondContact O-N 2.8Å; T204-K206 PolarHBondContact OG1-N 3.32Å; T204-K206 PolarHBondContact OG1-O 2.83Å
207	D	74.3	Confident	82.2	Confident	36 Å²	36	59.9 Å²	59.9	19%	0.193	30%	0.303	C	S	.	.			trans	-74.7	152.4	172.4	-155.6	-56.4	0	0	0	111.1	K201 I209 Q210 S211	K201-D207 HydrophobicContact CD-CB 4.24Å; K201-D207 IonicContact NZ-OD2 2.89Å; K201-D207 PolarHBondContact NZ-OD2 3.32Å; D207-I209 PolarHBondContact O-N 3.45Å; D207-I209 PolarHBondContact OD1-N 2.95Å; D207-Q210 HydrophobicContact CB-CB 4.04Å; D207-Q210 HydrophobicContact CB-CG 3.91Å; D207-Q210 PolarHBondContact O-N 2.58Å; D207-S211 WeakPolarHBondContact O-CB 3.1Å; D207-S211 PolarHBondContact O-N 2.73Å; D207-S211 PolarHBondContact O-OG 2.97Å
208	R	68.8	Low	82.5	Confident	58 Å²	58	59.3 Å²	59.3	22%	0.219	30%	0.302	C	S	.	.	H	α-helix	trans	-55.9	-41.9	171.7	-172.9	-176.2	67.4	164.8	-4.8	111.5	D197 S211 G212 S213	D197-R208 IonicContact OD1-NE 3.13Å; D197-R208 IonicContact OD2-CZ 2.74Å; D197-R208 IonicContact OD2-NE 2.98Å; D197-R208 IonicContact OD2-NH2 2.74Å; R208-S211 WeakPolarHBondContact CA-OG 3.24Å; R208-S211 PolarHBondContact O-N 3.13Å; R208-S211 PolarHBondContact O-OG 3.32Å; R208-G212 PolarHBondContact O-N 3.42Å; R208-S213 WeakPolarHBondContact CD-O 3.06Å; R208-S213 WeakPolarHBondContact CG-O 3.43Å; R208-S213 PolarHBondContact O-N 3.31Å
209	I	62.3	Low	82.7	Confident	140 Å²	140	53.9 Å²	53.9	72%	0.718	28%	0.275	S	S	*	.	H	α-helix	trans	-67.2	-43.7	179.1	-61.3	175.9	0	0	0	110.4	D207 S211 G212	D207-I209 PolarHBondContact O-N 3.45Å; D207-I209 PolarHBondContact OD1-N 2.95Å; I209-S211 VanDerWaalsContact C-N 3.25Å; I209-S211 PolarHBondContact O-N 3.26Å; I209-G212 PolarHBondContact O-N 3.05Å
210	Q	58.8	Low	82.9	Confident	148 Å²	148	53.3 Å²	53.3	69%	0.692	27%	0.271	S	S	*	.	H	α-helix	trans	-67.7	-27.1	178.3	-70	175.1	-11.7	0	0	112.7	D207	D207-Q210 HydrophobicContact CB-CB 4.04Å; D207-Q210 HydrophobicContact CB-CG 3.91Å; D207-Q210 PolarHBondContact O-N 2.58Å
211	S	58.2	Low	83.2	Confident	14 Å²	14	53 Å²	53	10%	0.098	27%	0.27	C	S	.	.	H	α-helix	trans	-89.4	-7.9	176	59.3	0	0	0	0	113.6	D207 R208 I209 S213 R279	D207-S211 WeakPolarHBondContact O-CB 3.1Å; D207-S211 PolarHBondContact O-N 2.73Å; D207-S211 PolarHBondContact O-OG 2.97Å; R208-S211 WeakPolarHBondContact CA-OG 3.24Å; R208-S211 PolarHBondContact O-N 3.13Å; R208-S211 PolarHBondContact O-OG 3.32Å; I209-S211 VanDerWaalsContact C-N 3.25Å; I209-S211 PolarHBondContact O-N 3.26Å; S211-S213 PolarHBondContact O-N 2.94Å; S211-R279 PolarHBondContact O-NH2 2.83Å
212	G	60.5	Low	83.5	Confident	16 Å²	16	49 Å²	49	17%	0.165	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.2	12	-176.4	0	0	0	0	0	114.7	R208 I209 Y275 G276	R208-G212 PolarHBondContact O-N 3.42Å; I209-G212 PolarHBondContact O-N 3.05Å; G212-Y275 CarbonylContact O-C 3.28Å; G212-Y275 VanDerWaalsContact O-CA 3.26Å; G212-Y275 WeakPolarHBondContact O-CA 3.49Å; G212-G276 PolarHBondContact O-N 2.87Å
213	S	70.9	Confident	83.6	Confident	6 Å²	6	40.7 Å²	40.7	4%	0.042	22%	0.217	C	C	.	.			trans	-103.2	163.1	-169.5	-175	0	0	0	0	111.6	R208 S211 G277 H278 R279	R208-S213 WeakPolarHBondContact CD-O 3.06Å; R208-S213 WeakPolarHBondContact CG-O 3.43Å; R208-S213 PolarHBondContact O-N 3.31Å; S211-S213 PolarHBondContact O-N 2.94Å; S213-G277 WeakPolarHBondContact CA-O 3.34Å; S213-G277 PolarHBondContact OG-O 3.23Å; S213-H278 VanDerWaalsContact OG-CA 3.32Å; S213-H278 WeakPolarHBondContact OG-CA 3.39Å; S213-R279 PolarHBondContact OG-N 2.87Å
214	Y	78.3	Confident	83.8	Confident	102 Å²	102	38.4 Å²	38.4	40%	0.4	21%	0.206	S	C	.	.	B	Isolated β-bridge	trans	-104.2	149.4	158.1	-75.9	-94.4	0	0	0	109.9	G277 H278	Y214-G277 PolarHBondContact N-O 3.36Å; Y214-H278 PolarHBondContact O-ND1 2.87Å
215	L	90.8	Very high	84.2	Confident	3 Å²	3	36.6 Å²	36.6	2%	0.016	20%	0.195	C	C	.	.			trans	-67.6	141.2	169	-61.1	172.9	0	0	0	109.3	W155 C196 D197 F200 W219 F220	W155-L215 VanDerWaalsContact CH2-O 3.27Å; W155-L215 WeakPolarHBondContact CH2-O 3.24Å; C196-L215 HydrophobicContact CB-CD1 4.18Å; D197-L215 WeakPolarHBondContact OD1-CD1 3.42Å; F200-L215 HydrophobicContact CB-CD1 4.48Å; F200-L215 HydrophobicContact CB-CD2 3.7Å; F200-L215 HydrophobicContact CD1-CD2 4.07Å; F200-L215 HydrophobicContact CD2-CD2 3.33Å; F200-L215 HydrophobicContact CE2-CD2 3.91Å; F200-L215 HydrophobicContact CG-CD2 3.42Å; F200-L215 VanDerWaalsContact CG-CD2 3.42Å; F200-L215 HydrophobicContact CZ-CD2 4.49Å; L215-W219 HydrophobicContact CB-CB 4.25Å; L215-W219 HydrophobicContact CB-CG 4.19Å; L215-W219 HydrophobicContact CD1-CG 4.41Å; L215-W219 HydrophobicContact CD2-CD2 4.31Å; L215-W219 HydrophobicContact CD2-CG 4.2Å; L215-W219 HydrophobicContact CG-CG 4.5Å; L215-F220 HydrophobicContact CB-CD2 4.4Å; L215-F220 HydrophobicContact CB-CE2 3.61Å; L215-F220 HydrophobicContact CB-CZ 3.95Å; L215-F220 HydrophobicContact CD1-CE2 4.5Å; L215-F220 HydrophobicContact CD1-CZ 4.02Å
216	S	95.4	Very high	84.6	Confident	9 Å²	9	36 Å²	36	6%	0.063	18%	0.176	C	C	.	.			trans	-73	162.4	179.8	83.3	0	0	0	0	112	G218 W219 F220 E283	S216-G218 PolarHBondContact O-N 3.23Å; S216-G218 WeakPolarHBondContact OG-CA 3.49Å; S216-G218 PolarHBondContact OG-N 3.27Å; S216-W219 WeakPolarHBondContact O-CB 3.44Å; S216-W219 PolarHBondContact O-N 3.03Å; S216-W219 VanDerWaalsContact O-N 3.14Å; S216-W219 PolarHBondContact OG-N 3.38Å; S216-W219 VanDerWaalsContact OG-N 3.15Å; S216-F220 WeakPolarHBondContact O-CD2 2.99Å; S216-F220 PolarHBondContact O-N 3.12Å; S216-E283 WeakPolarHBondContact CB-OE2 3.48Å; S216-E283 PolarHBondContact N-OE1 3.24Å; S216-E283 PolarHBondContact OG-OE2 3.37Å
217	T	97.6	Very high	85.3	Confident	15 Å²	15	32.5 Å²	32.5	9%	0.092	16%	0.164	C	C	.	.	H	α-helix	trans	-59.9	-29.5	169.1	-56.8	0	0	0	0	111.3	M107 N108 V127 W155 F220 T221	M107-T217 HydrophobicContact CB-CG2 3.83Å; M107-T217 HydrophobicContact CG-CG2 3.89Å; M107-T217 HydrophobicContact SD-CG2 4.07Å; N108-T217 PolarHBondContact ND2-OG1 3.36Å; V127-T217 HydrophobicContact CB-CG2 4.17Å; V127-T217 HydrophobicContact CG1-CG2 3.94Å; V127-T217 WeakPolarHBondContact O-CG2 3.29Å; W155-T217 WeakPolarHBondContact CZ2-OG1 3.38Å; W155-T217 PolarHBondContact NE1-OG1 3.43Å; T217-F220 PolarHBondContact O-N 2.94Å; T217-T221 WeakPolarHBondContact O-CB 3.47Å; T217-T221 PolarHBondContact O-N 2.56Å; T217-T221 PolarHBondContact O-OG1 3.04Å
218	G	97.8	Very high	86.3	Confident	10 Å²	10	31 Å²	31	10%	0.103	16%	0.156	C	C	.	.	H	α-helix	trans	-61.1	-42.9	174.8	0	0	0	0	0	112.4	S216 T221 L222	S216-G218 PolarHBondContact O-N 3.23Å; S216-G218 WeakPolarHBondContact OG-CA 3.49Å; S216-G218 PolarHBondContact OG-N 3.27Å; G218-T221 PolarHBondContact O-N 2.82Å; G218-L222 PolarHBondContact O-N 2.97Å
219	W	97.4	Very high	87.6	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-58.6	-52.9	175.5	-175.6	-91.7	0	0	0	112.4	C196 V199 F200 L215 S216 T221 L222 I223 E283 V286 F287 W290	C196-W219 PolarHBondContact O-NE1 3.31Å; V199-W219 HydrophobicContact CB-CZ2 4.27Å; V199-W219 HydrophobicContact CG1-CH2 4.38Å; V199-W219 HydrophobicContact CG1-CZ2 3.83Å; F200-W219 VanDerWaalsContact CA-CZ2 3.4Å; F200-W219 HydrophobicContact CB-CH2 4.1Å; F200-W219 HydrophobicContact CB-CZ2 3.57Å; F200-W219 HydrophobicContact CD2-CD2 4.35Å; F200-W219 HydrophobicContact CD2-CE3 4.2Å; F200-W219 AromaticContact CD2-CH2 3.79Å; F200-W219 HydrophobicContact CD2-CH2 3.79Å; F200-W219 AromaticContact CD2-CZ2 3.96Å; F200-W219 HydrophobicContact CD2-CZ2 3.96Å; F200-W219 AromaticContact CD2-CZ3 3.92Å; F200-W219 HydrophobicContact CD2-CZ3 3.92Å; F200-W219 HydrophobicContact CG-CH2 4.42Å; F200-W219 HydrophobicContact CG-CZ2 4.27Å; L215-W219 HydrophobicContact CB-CB 4.25Å; L215-W219 HydrophobicContact CB-CG 4.19Å; L215-W219 HydrophobicContact CD1-CG 4.41Å; L215-W219 HydrophobicContact CD2-CD2 4.31Å; L215-W219 HydrophobicContact CD2-CG 4.2Å; L215-W219 HydrophobicContact CG-CG 4.5Å; S216-W219 WeakPolarHBondContact O-CB 3.44Å; S216-W219 PolarHBondContact O-N 3.03Å; S216-W219 VanDerWaalsContact O-N 3.14Å; S216-W219 PolarHBondContact OG-N 3.38Å; S216-W219 VanDerWaalsContact OG-N 3.15Å; W219-T221 VanDerWaalsContact C-N 3.26Å; W219-T221 PolarHBondContact O-N 2.99Å; W219-L222 PolarHBondContact O-N 3.37Å; W219-I223 HydrophobicContact CZ2-CD1 4.24Å; W219-I223 PolarHBondContact O-N 3.05Å; W219-I223 VanDerWaalsContact O-N 3.12Å; W219-E283 HydrophobicContact CD2-CG 4.46Å; W219-E283 HydrophobicContact CE3-CB 4.04Å; W219-E283 HydrophobicContact CE3-CG 3.69Å; W219-E283 HydrophobicContact CZ3-CB 4.5Å; W219-E283 HydrophobicContact CZ3-CG 4.3Å; W219-V286 HydrophobicContact CH2-CB 4.35Å; W219-V286 HydrophobicContact CH2-CG1 3.81Å; W219-V286 HydrophobicContact CZ3-CB 3.93Å; W219-V286 HydrophobicContact CZ3-CG1 3.78Å; W219-V286 HydrophobicContact CZ3-CG2 4.31Å; W219-F287 HydrophobicContact CB-CZ 4.4Å; W219-F287 HydrophobicContact CD2-CE1 4.33Å; W219-F287 HydrophobicContact CE3-CD1 4.43Å; W219-F287 AromaticContact CE3-CE1 3.46Å; W219-F287 HydrophobicContact CE3-CE1 3.46Å; W219-F287 VanDerWaalsContact CE3-CE1 3.46Å; W219-F287 AromaticContact CE3-CZ 3.97Å; W219-F287 HydrophobicContact CE3-CZ 3.97Å; W219-F287 AromaticContact CZ3-CE1 3.93Å; W219-F287 HydrophobicContact CZ3-CE1 3.93Å; W219-W290 HydrophobicContact CD2-CH2 4.37Å; W219-W290 HydrophobicContact CE3-CH2 4.2Å; W219-W290 AromaticContact CH2-CH2 3.56Å; W219-W290 HydrophobicContact CH2-CH2 3.56Å; W219-W290 AromaticContact CH2-CZ2 3.68Å; W219-W290 HydrophobicContact CH2-CZ2 3.68Å; W219-W290 AromaticContact CZ2-CH2 3.73Å; W219-W290 HydrophobicContact CZ2-CH2 3.73Å; W219-W290 HydrophobicContact CZ2-CZ2 4.03Å; W219-W290 AromaticContact CZ3-CH2 3.81Å; W219-W290 HydrophobicContact CZ3-CH2 3.81Å; W219-W290 HydrophobicContact CZ3-CZ2 4.22Å; W219-W290 HydrophobicContact CZ3-CZ3 4.49Å
220	F	98.2	Very high	89.2	Confident	8 Å²	8	28.5 Å²	28.5	4%	0.035	14%	0.143	C	C	.	.	H	α-helix	trans	-61.5	-36.4	177.4	-69.2	-75.9	0	0	0	112.3	V127 W155 M193 C196 L215 S216 T217 L224	V127-F220 HydrophobicContact CG1-CB 4.38Å; W155-F220 HydrophobicContact CB-CD1 4.36Å; W155-F220 HydrophobicContact CB-CG 4.36Å; W155-F220 AromaticContact CD2-CD2 3.39Å; W155-F220 HydrophobicContact CD2-CD2 3.39Å; W155-F220 AromaticContact CD2-CE2 3.49Å; W155-F220 HydrophobicContact CD2-CE2 3.49Å; W155-F220 VanDerWaalsContact CD2-CE2 3.49Å; W155-F220 AromaticContact CD2-CG 3.98Å; W155-F220 HydrophobicContact CD2-CG 3.98Å; W155-F220 HydrophobicContact CD2-CZ 4.13Å; W155-F220 AromaticContact CE2-CD2 3.43Å; W155-F220 VanDerWaalsContact CE2-CD2 3.43Å; W155-F220 AromaticContact CE2-CE2 3.79Å; W155-F220 AromaticContact CE3-CD2 3.73Å; W155-F220 HydrophobicContact CE3-CD2 3.73Å; W155-F220 HydrophobicContact CE3-CE1 4.43Å; W155-F220 AromaticContact CE3-CE2 3.26Å; W155-F220 HydrophobicContact CE3-CE2 3.26Å; W155-F220 HydrophobicContact CE3-CG 4.49Å; W155-F220 AromaticContact CE3-CZ 3.68Å; W155-F220 HydrophobicContact CE3-CZ 3.68Å; W155-F220 HydrophobicContact CG-CB 4.33Å; W155-F220 HydrophobicContact CG-CD1 4.36Å; W155-F220 AromaticContact CG-CD2 3.83Å; W155-F220 HydrophobicContact CG-CD2 3.83Å; W155-F220 HydrophobicContact CG-CE2 4.25Å; W155-F220 AromaticContact CG-CG 3.91Å; W155-F220 HydrophobicContact CG-CG 3.91Å; W155-F220 HydrophobicContact CH2-CD2 4.07Å; W155-F220 AromaticContact CH2-CE2 3.66Å; W155-F220 HydrophobicContact CH2-CE2 3.66Å; W155-F220 AromaticContact CZ2-CD2 3.79Å; W155-F220 HydrophobicContact CZ2-CD2 3.79Å; W155-F220 AromaticContact CZ2-CE2 3.88Å; W155-F220 HydrophobicContact CZ2-CE2 3.88Å; W155-F220 HydrophobicContact CZ3-CD2 4.06Å; W155-F220 AromaticContact CZ3-CE2 3.36Å; W155-F220 HydrophobicContact CZ3-CE2 3.36Å; W155-F220 AromaticContact CZ3-CZ 3.99Å; W155-F220 HydrophobicContact CZ3-CZ 3.99Å; W155-F220 AromaticContact NE1-CD2 3.87Å; M193-F220 HydrophobicContact CE-CE1 3.69Å; M193-F220 HydrophobicContact CE-CZ 3.53Å; M193-F220 HydrophobicContact SD-CD1 4.31Å; M193-F220 HydrophobicContact SD-CE1 3.56Å; M193-F220 VanDerWaalsContact SD-CE1 3.56Å; M193-F220 HydrophobicContact SD-CZ 4.03Å; C196-F220 HydrophobicContact CB-CD1 4.07Å; C196-F220 HydrophobicContact CB-CE1 3.62Å; C196-F220 HydrophobicContact CB-CZ 4.46Å; L215-F220 HydrophobicContact CB-CD2 4.4Å; L215-F220 HydrophobicContact CB-CE2 3.61Å; L215-F220 HydrophobicContact CB-CZ 3.95Å; L215-F220 HydrophobicContact CD1-CE2 4.5Å; L215-F220 HydrophobicContact CD1-CZ 4.02Å; S216-F220 WeakPolarHBondContact O-CD2 2.99Å; S216-F220 PolarHBondContact O-N 3.12Å; T217-F220 PolarHBondContact O-N 2.94Å; F220-L224 VanDerWaalsContact O-CB 3.28Å; F220-L224 WeakPolarHBondContact O-CB 3.36Å; F220-L224 PolarHBondContact O-N 2.5Å
221	T	98.6	Very high	91.1	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-66.9	-43.5	179.4	-56.1	0	0	0	0	111.6	I82 W105 M107 V127 T217 G218 W219 L224 A225	I82-T221 HydrophobicContact CD1-CG2 4.18Å; I82-T221 HydrophobicContact CG2-CG2 3.88Å; W105-T221 HydrophobicContact CE3-CG2 3.93Å; W105-T221 HydrophobicContact CZ3-CG2 4.49Å; M107-T221 HydrophobicContact CE-CG2 3.86Å; V127-T221 VanDerWaalsContact CB-OG1 3.31Å; V127-T221 WeakPolarHBondContact CB-OG1 3.31Å; V127-T221 HydrophobicContact CG2-CG2 3.86Å; V127-T221 WeakPolarHBondContact CG2-OG1 3.14Å; T217-T221 WeakPolarHBondContact O-CB 3.47Å; T217-T221 PolarHBondContact O-N 2.56Å; T217-T221 PolarHBondContact O-OG1 3.04Å; G218-T221 PolarHBondContact O-N 2.82Å; W219-T221 VanDerWaalsContact C-N 3.26Å; W219-T221 PolarHBondContact O-N 2.99Å; T221-L224 PolarHBondContact O-N 3.38Å; T221-A225 WeakPolarHBondContact O-CB 3.39Å; T221-A225 PolarHBondContact O-N 2.88Å
222	L	98.3	Very high	93	Very high	4 Å²	4	23.6 Å²	23.6	2%	0.021	12%	0.118	C	C	.	.	H	α-helix	trans	-72.1	-37.5	-177.6	-166.5	55.9	0	0	0	111.9	I82 G218 W219 A225 M226 I232 I234 F287 W290 I296	I82-L222 HydrophobicContact CD1-CD1 4.32Å; G218-L222 PolarHBondContact O-N 2.97Å; W219-L222 PolarHBondContact O-N 3.37Å; L222-A225 HydrophobicContact CD1-CB 4.49Å; L222-A225 PolarHBondContact O-N 3.37Å; L222-M226 WeakPolarHBondContact O-CG 3.35Å; L222-M226 PolarHBondContact O-N 3.08Å; L222-I232 HydrophobicContact CD1-CD1 4.28Å; L222-I232 HydrophobicContact CD1-CG2 4.14Å; L222-I234 HydrophobicContact CD1-CD1 3.8Å; L222-I234 HydrophobicContact CD2-CD1 4.4Å; L222-F287 HydrophobicContact CB-CE1 4.42Å; L222-F287 HydrophobicContact CD2-CB 4.05Å; L222-F287 HydrophobicContact CD2-CD1 3.43Å; L222-F287 VanDerWaalsContact CD2-CD1 3.43Å; L222-F287 HydrophobicContact CD2-CD2 4.25Å; L222-F287 HydrophobicContact CD2-CE1 3.86Å; L222-F287 HydrophobicContact CD2-CG 3.65Å; L222-F287 HydrophobicContact CD2-CZ 4.45Å; L222-W290 HydrophobicContact CB-CZ3 4.33Å; L222-W290 HydrophobicContact CD2-CE3 3.68Å; L222-W290 HydrophobicContact CD2-CZ3 3.99Å; L222-W290 HydrophobicContact CG-CE3 4.06Å; L222-W290 HydrophobicContact CG-CZ3 4.15Å; L222-I296 HydrophobicContact CD1-CD1 4.18Å; L222-I296 HydrophobicContact CD2-CD1 4.46Å
223	I	97.9	Very high	94.9	Very high	4 Å²	4	24 Å²	24	2%	0.021	12%	0.116	C	C	.	.	H	α-helix	trans	-60	-46.3	171.2	-73.3	-179.2	0	0	0	111.2	Y195 C196 V199 W219 A225 M226 D227 W290	Y195-I223 HydrophobicContact CE1-CG2 4.26Å; C196-I223 HydrophobicContact CB-CD1 4.06Å; V199-I223 HydrophobicContact CB-CD1 4.39Å; V199-I223 HydrophobicContact CG1-CD1 4.37Å; W219-I223 HydrophobicContact CZ2-CD1 4.24Å; W219-I223 PolarHBondContact O-N 3.05Å; W219-I223 VanDerWaalsContact O-N 3.12Å; I223-A225 VanDerWaalsContact C-N 3.31Å; I223-A225 PolarHBondContact O-N 3.14Å; I223-M226 HydrophobicContact CG1-CE 4.11Å; I223-M226 PolarHBondContact O-N 3.26Å; I223-D227 PolarHBondContact O-N 3.24Å; I223-W290 HydrophobicContact CD1-CH2 4.26Å; I223-W290 HydrophobicContact CG1-CH2 3.86Å; I223-W290 HydrophobicContact CG1-CZ3 4.2Å
224	L	98.1	Very high	96.2	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-60.9	-40	175.2	178.1	69.6	0	0	0	111.8	Y64 W105 L125 V127 V153 F220 T221 D227 M228	Y64-L224 HydrophobicContact CD1-CD1 4.18Å; Y64-L224 HydrophobicContact CD2-CD1 3.79Å; Y64-L224 HydrophobicContact CE1-CD1 3.76Å; Y64-L224 HydrophobicContact CE2-CD1 3.35Å; Y64-L224 HydrophobicContact CG-CD1 4.19Å; W105-L224 HydrophobicContact CE3-CD2 4.49Å; W105-L224 HydrophobicContact CH2-CB 4.4Å; W105-L224 HydrophobicContact CH2-CD2 4.05Å; W105-L224 HydrophobicContact CH2-CG 3.68Å; W105-L224 HydrophobicContact CZ3-CB 4.01Å; W105-L224 HydrophobicContact CZ3-CD2 3.75Å; W105-L224 HydrophobicContact CZ3-CG 3.63Å; L125-L224 HydrophobicContact CD1-CD2 4.32Å; L125-L224 HydrophobicContact CD2-CD2 3.95Å; V127-L224 HydrophobicContact CG2-CD2 3.64Å; V153-L224 HydrophobicContact CB-CD2 4.19Å; V153-L224 HydrophobicContact CG1-CD2 4.2Å; V153-L224 HydrophobicContact CG2-CD2 4.11Å; F220-L224 VanDerWaalsContact O-CB 3.28Å; F220-L224 WeakPolarHBondContact O-CB 3.36Å; F220-L224 PolarHBondContact O-N 2.5Å; T221-L224 PolarHBondContact O-N 3.38Å; L224-D227 WeakPolarHBondContact O-CB 3.38Å; L224-D227 PolarHBondContact O-N 3.15Å; L224-M228 HydrophobicContact CD1-CE 3.26Å; L224-M228 HydrophobicContact CD1-SD 3.46Å; L224-M228 WeakPolarHBondContact CD1-SD 3.35Å; L224-M228 HydrophobicContact CG-CE 4.32Å; L224-M228 HydrophobicContact CG-SD 3.9Å; L224-M228 WeakPolarHBondContact O-CG 3.42Å; L224-M228 PolarHBondContact O-N 3.35Å
225	A	98	Very high	97.2	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-67.1	-39.7	179.9	0	0	0	0	0	111.8	I82 W105 T221 L222 I223 D227 M228 C229 I232	I82-A225 HydrophobicContact CD1-CB 3.68Å; W105-A225 HydrophobicContact CE3-CB 4.14Å; W105-A225 VanDerWaalsContact CH2-CA 3.46Å; W105-A225 HydrophobicContact CH2-CB 4.01Å; W105-A225 VanDerWaalsContact CZ3-CA 3.41Å; W105-A225 HydrophobicContact CZ3-CB 3.55Å; T221-A225 WeakPolarHBondContact O-CB 3.39Å; T221-A225 PolarHBondContact O-N 2.88Å; L222-A225 HydrophobicContact CD1-CB 4.49Å; L222-A225 PolarHBondContact O-N 3.37Å; I223-A225 VanDerWaalsContact C-N 3.31Å; I223-A225 PolarHBondContact O-N 3.14Å; A225-D227 PolarHBondContact O-N 2.97Å; A225-M228 PolarHBondContact O-N 3.45Å; A225-M228 VanDerWaalsContact O-N 3.13Å; A225-C229 WeakPolarHBondContact O-CA 3.17Å; A225-C229 WeakPolarHBondContact O-CB 3.49Å; A225-C229 PolarHBondContact O-N 3.39Å; A225-C229 PolarHBondContact O-SG 3.01Å; A225-C229 VanDerWaalsContact O-SG 3.32Å; A225-I232 HydrophobicContact CB-CD1 3.7Å; A225-I232 HydrophobicContact CB-CG1 4.13Å; A225-I232 HydrophobicContact CB-CG2 4.45Å
226	M	96.8	Very high	97.5	Very high	49 Å²	49	18.9 Å²	18.9	24%	0.241	10%	0.095	C	C	.	.	H	α-helix	trans	-63.9	-27	175.4	-70.7	-174.2	-64.3	0	0	112.9	L222 I223 I232 W290	L222-M226 WeakPolarHBondContact O-CG 3.35Å; L222-M226 PolarHBondContact O-N 3.08Å; I223-M226 HydrophobicContact CG1-CE 4.11Å; I223-M226 PolarHBondContact O-N 3.26Å; M226-I232 HydrophobicContact CG-CD1 4.04Å; M226-W290 HydrophobicContact CE-CD2 3.93Å; M226-W290 HydrophobicContact CE-CE3 3.45Å; M226-W290 VanDerWaalsContact CE-CE3 3.45Å; M226-W290 HydrophobicContact CE-CH2 3.95Å; M226-W290 HydrophobicContact CE-CZ2 4.35Å; M226-W290 HydrophobicContact CE-CZ3 3.47Å; M226-W290 VanDerWaalsContact CE-CZ3 3.47Å; M226-W290 HydrophobicContact SD-CD2 4.2Å; M226-W290 HydrophobicContact SD-CE3 3.98Å; M226-W290 HydrophobicContact SD-CG 4.49Å
227	D	94.4	Very high	97.6	Very high	59 Å²	59	19.3 Å²	19.3	32%	0.316	10%	0.096	S	C	.	.	H	α-helix	trans	-73.5	-33.8	173.1	-63.2	-24.9	0	0	0	112.8	H61 R192 I223 L224 A225	H61-D227 PolarHBondContact CE1-O 2.89Å; H61-D227 VanDerWaalsContact CE1-O 3.29Å; R192-D227 IonicContact CZ-OD1 3.63Å; R192-D227 IonicContact CZ-OD2 3.56Å; R192-D227 VanDerWaalsContact CZ-OD2 3.28Å; R192-D227 IonicContact NE-OD2 3.78Å; R192-D227 IonicContact NH2-OD1 3.77Å; R192-D227 PolarHBondContact NH2-OD1 3.29Å; R192-D227 IonicContact NH2-OD2 3.67Å; R192-D227 PolarHBondContact NH2-OD2 3.47Å; I223-D227 PolarHBondContact O-N 3.24Å; L224-D227 WeakPolarHBondContact O-CB 3.38Å; L224-D227 PolarHBondContact O-N 3.15Å; A225-D227 PolarHBondContact O-N 2.97Å
228	M	94.9	Very high	97.6	Very high	6 Å²	6	18.7 Å²	18.7	3%	0.03	9%	0.092	C	C	.	.	H	α-helix	trans	-112.1	-22.1	-161.1	-65.5	178.6	175.9	0	0	114.3	H61 Y64 L73 L75 N76 C77 W105 L224 A225	H61-M228 HydrophobicContact CB-CE 3.86Å; H61-M228 VanDerWaalsContact CD2-CE 3.5Å; H61-M228 WeakPolarHBondContact CD2-CE 3.41Å; Y64-M228 HydrophobicContact CD2-CE 4.05Å; Y64-M228 HydrophobicContact CE2-CE 4.32Å; L73-M228 HydrophobicContact CD2-CE 3.44Å; L73-M228 VanDerWaalsContact CD2-CE 3.44Å; L73-M228 HydrophobicContact CD2-SD 4.2Å; L73-M228 HydrophobicContact CG-CE 3.91Å; L75-M228 HydrophobicContact CB-SD 4.01Å; L75-M228 HydrophobicContact CD2-SD 3.7Å; L75-M228 HydrophobicContact CG-SD 4.21Å; N76-M228 CarbonylContact C-O 3.54Å; N76-M228 WeakPolarHBondContact CA-O 3.18Å; C77-M228 PolarHBondContact N-O 2.88Å; W105-M228 HydrophobicContact CH2-CB 4.06Å; W105-M228 HydrophobicContact CH2-CG 4.47Å; W105-M228 HydrophobicContact CH2-SD 3.95Å; W105-M228 HydrophobicContact CZ2-CB 4.14Å; W105-M228 HydrophobicContact CZ2-SD 4.19Å; L224-M228 HydrophobicContact CD1-CE 3.26Å; L224-M228 HydrophobicContact CD1-SD 3.46Å; L224-M228 WeakPolarHBondContact CD1-SD 3.35Å; L224-M228 HydrophobicContact CG-CE 4.32Å; L224-M228 HydrophobicContact CG-SD 3.9Å; L224-M228 WeakPolarHBondContact O-CG 3.42Å; L224-M228 PolarHBondContact O-N 3.35Å; A225-M228 PolarHBondContact O-N 3.45Å; A225-M228 VanDerWaalsContact O-N 3.13Å
229	C	96.4	Very high	97.6	Very high	14 Å²	14	19.7 Å²	19.7	10%	0.095	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	136.9	-168.1	-49	0	0	0	0	110.4	C77 C80 A225 I232	C77-C229 VanDerWaalsContact O-CA 3.31Å; C77-C229 WeakPolarHBondContact O-CA 3.32Å; C80-C229 HydrophobicContact CB-CB 3.72Å; C80-C229 WeakPolarHBondContact CB-SG 3.5Å; C80-C229 WeakPolarHBondContact SG-CB 3.39Å; C80-C229 CovalentContact SG-SG 2.02Å; C80-C229 PolarHBondContact SG-SG 2.77Å; A225-C229 WeakPolarHBondContact O-CA 3.17Å; A225-C229 WeakPolarHBondContact O-CB 3.49Å; A225-C229 PolarHBondContact O-N 3.39Å; A225-C229 PolarHBondContact O-SG 3.01Å; A225-C229 VanDerWaalsContact O-SG 3.32Å; C229-I232 HydrophobicContact CB-CD1 4.4Å; C229-I232 HydrophobicContact CB-CG1 3.73Å
230	K	96.4	Very high	97.5	Very high	131 Å²	131	21.9 Å²	21.9	57%	0.57	11%	0.107	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	-39.8	171.2	-60.4	-167.1	-164.9	158.4	0	112.3	C77 E78	C77-K230 PolarHBondContact O-N 2.83Å; E78-K230 WeakPolarHBondContact O-CB 3.49Å; E78-K230 WeakPolarHBondContact OE1-CE 3.42Å; E78-K230 IonicContact OE1-NZ 3.66Å; E78-K230 PolarHBondContact OE1-NZ 2.82Å; E78-K230 VanDerWaalsContact OE2-CD 3.24Å; E78-K230 WeakPolarHBondContact OE2-CD 3.39Å; E78-K230 VanDerWaalsContact OE2-CE 3.24Å; E78-K230 WeakPolarHBondContact OE2-CE 3.4Å; E78-K230 IonicContact OE2-NZ 3.79Å; E78-K230 PolarHBondContact OE2-NZ 3.25Å
231	E	98.3	Very high	97.4	Very high	53 Å²	53	24.8 Å²	24.8	25%	0.248	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	142.4	172.8	-176.7	170.1	178.5	0	0	110.3	E78 L79 C80 H233 K297	E78-E231 PolarHBondContact O-N 3.1Å; L79-E231 WeakPolarHBondContact CA-O 3.32Å; L79-E231 HydrophobicContact CD1-CB 3.94Å; L79-E231 HydrophobicContact CD1-CG 3.78Å; C80-E231 PolarHBondContact N-O 3.09Å; E231-H233 IonicContact OE1-CD2 3.59Å; E231-H233 IonicContact OE1-CE1 2.59Å; E231-H233 IonicContact OE1-NE2 3.11Å; E231-H233 PolarHBondContact OE1-NE2 3.24Å; E231-K297 WeakPolarHBondContact OE1-CE 3.36Å; E231-K297 IonicContact OE1-NZ 2.74Å; E231-K297 PolarHBondContact OE1-NZ 3.4Å
232	I	98.8	Very high	97.2	Very high	5 Å²	5	26.7 Å²	26.7	3%	0.026	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	120.7	-175.9	-58.3	166.7	0	0	0	108.7	C80 I82 L222 A225 M226 C229 I234 S295 I296 K297	C80-I232 WeakPolarHBondContact O-CA 2.92Å; I82-I232 HydrophobicContact CD1-CG2 3.52Å; I82-I232 HydrophobicContact CG1-CG2 4.23Å; L222-I232 HydrophobicContact CD1-CD1 4.28Å; L222-I232 HydrophobicContact CD1-CG2 4.14Å; A225-I232 HydrophobicContact CB-CD1 3.7Å; A225-I232 HydrophobicContact CB-CG1 4.13Å; A225-I232 HydrophobicContact CB-CG2 4.45Å; M226-I232 HydrophobicContact CG-CD1 4.04Å; C229-I232 HydrophobicContact CB-CD1 4.4Å; C229-I232 HydrophobicContact CB-CG1 3.73Å; I232-I234 HydrophobicContact CG2-CD1 4.28Å; I232-I234 HydrophobicContact CG2-CG1 3.9Å; I232-S295 PolarHBondContact N-O 2.84Å; I232-I296 HydrophobicContact CB-CG1 4.18Å; I232-I296 HydrophobicContact CD1-CG1 4.11Å; I232-I296 HydrophobicContact CG2-CG2 4.44Å; I232-I296 CarbonylContact O-C 3.47Å; I232-I296 VanDerWaalsContact O-CA 3.31Å; I232-I296 WeakPolarHBondContact O-CA 3.31Å; I232-K297 PolarHBondContact O-N 3.2Å
233	H	98.8	Very high	97.1	Very high	24 Å²	24	27.2 Å²	27.2	11%	0.111	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	127.4	170.5	-67.5	179.4	0	0	0	109.1	L79 C80 S81 I82 E231 Y235 K297 F299	L79-H233 HydrophobicContact CD1-CB 4.49Å; C80-H233 PolarHBondContact O-N 3.39Å; S81-H233 CarbonylContact C-O 3.54Å; S81-H233 WeakPolarHBondContact CA-O 3.43Å; I82-H233 PolarHBondContact N-O 2.72Å; E231-H233 IonicContact OE1-CD2 3.59Å; E231-H233 IonicContact OE1-CE1 2.59Å; E231-H233 IonicContact OE1-NE2 3.11Å; E231-H233 PolarHBondContact OE1-NE2 3.24Å; H233-Y235 HydrophobicContact CB-CD2 4.44Å; H233-Y235 HydrophobicContact CB-CE2 3.63Å; H233-K297 CarbonylContact C-O 3.46Å; H233-K297 WeakPolarHBondContact CA-O 3.49Å; H233-F299 HydrophobicContact CB-CD2 4.11Å; H233-F299 HydrophobicContact CB-CE2 3.71Å; H233-F299 AromaticContact CD2-CE2 3.93Å; H233-F299 AromaticContact CG-CE2 3.55Å; H233-F299 AromaticContact ND1-CE2 3.87Å
234	I	98.8	Very high	96.9	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.01	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	124.1	-178.2	-56.4	175.9	0	0	0	108.4	I82 L222 I232 M237 I296 K297 F298 F299	I82-I234 HydrophobicContact CB-CG1 4.39Å; I82-I234 HydrophobicContact CD1-CG1 4.32Å; I82-I234 WeakPolarHBondContact O-CA 3.35Å; L222-I234 HydrophobicContact CD1-CD1 3.8Å; L222-I234 HydrophobicContact CD2-CD1 4.4Å; I232-I234 HydrophobicContact CG2-CD1 4.28Å; I232-I234 HydrophobicContact CG2-CG1 3.9Å; I234-M237 HydrophobicContact CG2-CB 3.78Å; I234-M237 HydrophobicContact CG2-CE 3.92Å; I234-M237 HydrophobicContact CG2-SD 4.23Å; I234-I296 HydrophobicContact CD1-CG2 3.58Å; I234-I296 HydrophobicContact CG1-CG2 4.23Å; I234-K297 PolarHBondContact N-O 3.17Å; I234-F298 HydrophobicContact CB-CD1 3.76Å; I234-F298 HydrophobicContact CB-CE1 4.01Å; I234-F298 HydrophobicContact CD1-CD1 4.12Å; I234-F298 HydrophobicContact CD1-CE1 3.47Å; I234-F298 VanDerWaalsContact CD1-CE1 3.47Å; I234-F298 HydrophobicContact CD1-CZ 3.81Å; I234-F298 HydrophobicContact CG1-CD1 4.46Å; I234-F298 HydrophobicContact CG1-CE1 4.28Å; I234-F298 HydrophobicContact CG2-CD1 3.96Å; I234-F298 HydrophobicContact CG2-CE1 4.1Å; I234-F298 CarbonylContact O-C 3.56Å; I234-F298 WeakPolarHBondContact O-CA 3.41Å; I234-F299 PolarHBondContact O-N 3.05Å
235	Y	98.8	Very high	96.7	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.008	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	136.5	-178.9	-63.8	-99	0	0	0	110.8	I82 S84 A94 Q97 I98 H233 F299	I82-Y235 PolarHBondContact O-N 3.01Å; S84-Y235 WeakPolarHBondContact CB-O 3.46Å; S84-Y235 PolarHBondContact N-O 3.37Å; S84-Y235 PolarHBondContact OG-O 3.42Å; A94-Y235 HydrophobicContact CB-CD1 4.46Å; Q97-Y235 PolarHBondContact NE2-OH 3.02Å; I98-Y235 HydrophobicContact CD1-CD1 4.13Å; I98-Y235 HydrophobicContact CD1-CD2 4.48Å; I98-Y235 HydrophobicContact CD1-CG 4.08Å; I98-Y235 HydrophobicContact CG1-CD1 3.97Å; I98-Y235 HydrophobicContact CG1-CD2 4.01Å; I98-Y235 HydrophobicContact CG1-CE1 3.97Å; I98-Y235 HydrophobicContact CG1-CE2 4.01Å; I98-Y235 HydrophobicContact CG1-CG 4.01Å; H233-Y235 HydrophobicContact CB-CD2 4.44Å; H233-Y235 HydrophobicContact CB-CE2 3.63Å; Y235-F299 WeakPolarHBondContact CA-O 3.43Å; Y235-F299 HydrophobicContact CD1-CB 3.58Å; Y235-F299 HydrophobicContact CD1-CD2 4.48Å; Y235-F299 HydrophobicContact CD1-CG 4.23Å; Y235-F299 HydrophobicContact CE1-CB 3.71Å; Y235-F299 HydrophobicContact CE1-CD2 4.09Å; Y235-F299 AromaticContact CE1-CG 3.88Å; Y235-F299 HydrophobicContact CE1-CG 3.88Å; Y235-F299 HydrophobicContact CE2-CD2 4.33Å; Y235-F299 HydrophobicContact CG-CB 4.24Å; Y235-F299 AromaticContact CZ-CD2 4Å
236	G	98.1	Very high	96.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.235	C	C	.	.	S	Bend	trans	83.8	9.9	173	0	0	0	0	0	114.5	S84 S86 M89 F299 N300	S84-G236 WeakPolarHBondContact OG-CA 3.38Å; S84-G236 PolarHBondContact OG-O 2.88Å; S86-G236 WeakPolarHBondContact CB-O 3.42Å; S86-G236 PolarHBondContact OG-O 3.44Å; M89-G236 VanDerWaalsContact SD-CA 3.51Å; M89-G236 PolarHBondContact SD-N 2.86Å; M89-G236 VanDerWaalsContact SD-N 3.42Å; G236-F299 PolarHBondContact N-O 3.37Å; G236-N300 WeakPolarHBondContact CA-O 3.38Å; G236-N300 PolarHBondContact N-O 3.37Å
237	M	98.1	Very high	96	Very high	19 Å²	19	49.2 Å²	49.2	9%	0.094	27%	0.265	C	S	.	.			trans	-101.7	122.7	-177	-163.6	179.8	-75.7	0	0	110.1	I234 F287 F298 W303	I234-M237 HydrophobicContact CG2-CB 3.78Å; I234-M237 HydrophobicContact CG2-CE 3.92Å; I234-M237 HydrophobicContact CG2-SD 4.23Å; M237-F287 HydrophobicContact CE-CE2 4.37Å; M237-F287 HydrophobicContact SD-CD2 3.79Å; M237-F287 HydrophobicContact SD-CE2 4.11Å; M237-F298 HydrophobicContact CB-CD1 4.34Å; M237-F298 HydrophobicContact SD-CE1 3.98Å; M237-W303 HydrophobicContact CB-CZ2 4.32Å; M237-W303 HydrophobicContact CG-CZ2 3.88Å; M237-W303 PolarHBondContact O-NE1 3.39Å; M237-W303 HydrophobicContact SD-CH2 4.29Å; M237-W303 HydrophobicContact SD-CZ2 4.02Å
238	I	97.4	Very high	95.9	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.005	26%	0.263	C	S	.	.			trans	-78.3	154.7	169.8	68.8	176.6	0	0	0	111.3	Q88 Y242 C243 E263 Y267 K284 P301 W303	Q88-I238 HydrophobicContact CG-CG2 3.56Å; I238-Y242 HydrophobicContact CB-CD1 3.96Å; I238-Y242 HydrophobicContact CB-CD2 4.17Å; I238-Y242 HydrophobicContact CB-CG 3.71Å; I238-Y242 HydrophobicContact CD1-CD1 3.75Å; I238-Y242 HydrophobicContact CD1-CG 4.17Å; I238-Y242 HydrophobicContact CG1-CD1 4.45Å; I238-Y242 HydrophobicContact CG1-CG 4.46Å; I238-Y242 HydrophobicContact CG2-CD1 3.77Å; I238-Y242 HydrophobicContact CG2-CD2 4.15Å; I238-Y242 HydrophobicContact CG2-CE1 3.94Å; I238-Y242 HydrophobicContact CG2-CE2 4.31Å; I238-Y242 HydrophobicContact CG2-CG 3.88Å; I238-C243 WeakPolarHBondContact CD1-SG 3.4Å; I238-E263 HydrophobicContact CD1-CG 4.44Å; I238-Y267 HydrophobicContact CD1-CD2 3.8Å; I238-Y267 HydrophobicContact CD1-CE2 3.51Å; I238-Y267 HydrophobicContact CG1-CD2 4.42Å; I238-Y267 HydrophobicContact CG1-CE2 3.79Å; I238-K284 HydrophobicContact CG1-CD 4.41Å; I238-K284 WeakPolarHBondContact O-CD 3.15Å; I238-K284 WeakPolarHBondContact O-CE 3.16Å; I238-P301 HydrophobicContact CG2-CG 4.17Å; I238-W303 VanDerWaalsContact C-CZ2 3.47Å; I238-W303 WeakPolarHBondContact O-CZ2 3.48Å
239	N	96.8	Very high	95.8	Very high	31 Å²	31	55.1 Å²	55.1	17%	0.166	28%	0.283	C	S	.	.			trans	-80.3	176.9	174.5	69.1	15.8	0	0	0	112.1	T241 Y242 W303	N239-T241 VanDerWaalsContact C-N 3.27Å; N239-T241 PolarHBondContact O-N 3.47Å; N239-T241 PolarHBondContact OD1-N 3.27Å; N239-T241 PolarHBondContact OD1-OG1 3.07Å; N239-Y242 WeakPolarHBondContact OD1-CA 3.41Å; N239-Y242 WeakPolarHBondContact OD1-CB 3.32Å; N239-Y242 PolarHBondContact OD1-N 3.34Å; N239-W303 HydrophobicContact CB-CD2 3.59Å; N239-W303 HydrophobicContact CB-CE3 3.92Å; N239-W303 HydrophobicContact CB-CG 3.97Å; N239-W303 HydrophobicContact CB-CH2 4.35Å; N239-W303 HydrophobicContact CB-CZ2 4.07Å; N239-W303 HydrophobicContact CB-CZ3 4.28Å
240	D	95.3	Very high	95.8	Very high	47 Å²	47	61.2 Å²	61.2	25%	0.251	31%	0.31	S	S	.	.	S	Bend	trans	-71.2	-17.1	-176	62.7	-59.2	0	0	0	114.4	I281 K284	D240-I281 HydrophobicContact CB-CG2 3.96Å; D240-I281 WeakPolarHBondContact O-CG2 3.46Å; D240-K284 HydrophobicContact CB-CB 4.01Å
241	T	95.4	Very high	95.7	Very high	69 Å²	69	55.3 Å²	55.3	42%	0.423	29%	0.285	S	S	.	.	S	Bend	trans	-101.1	-13.8	179.8	56.4	0	0	0	0	113.8	N239 C243 K244 T245	N239-T241 VanDerWaalsContact C-N 3.27Å; N239-T241 PolarHBondContact O-N 3.47Å; N239-T241 PolarHBondContact OD1-N 3.27Å; N239-T241 PolarHBondContact OD1-OG1 3.07Å; T241-C243 PolarHBondContact O-N 3.37Å; T241-K244 WeakPolarHBondContact O-CB 3.41Å; T241-K244 PolarHBondContact O-N 2.91Å; T241-T245 PolarHBondContact O-N 2.88Å; T241-T245 PolarHBondContact O-OG1 3.3Å
242	Y	96.1	Very high	95.7	Very high	40 Å²	40	54.1 Å²	54.1	16%	0.157	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-53	-48.5	-173.9	-172.8	-87.8	0	0	0	113.4	I238 N239 K244 T245 Y248 R249 P301	I238-Y242 HydrophobicContact CB-CD1 3.96Å; I238-Y242 HydrophobicContact CB-CD2 4.17Å; I238-Y242 HydrophobicContact CB-CG 3.71Å; I238-Y242 HydrophobicContact CD1-CD1 3.75Å; I238-Y242 HydrophobicContact CD1-CG 4.17Å; I238-Y242 HydrophobicContact CG1-CD1 4.45Å; I238-Y242 HydrophobicContact CG1-CG 4.46Å; I238-Y242 HydrophobicContact CG2-CD1 3.77Å; I238-Y242 HydrophobicContact CG2-CD2 4.15Å; I238-Y242 HydrophobicContact CG2-CE1 3.94Å; I238-Y242 HydrophobicContact CG2-CE2 4.31Å; I238-Y242 HydrophobicContact CG2-CG 3.88Å; N239-Y242 WeakPolarHBondContact OD1-CA 3.41Å; N239-Y242 WeakPolarHBondContact OD1-CB 3.32Å; N239-Y242 PolarHBondContact OD1-N 3.34Å; Y242-K244 PolarHBondContact O-N 2.93Å; Y242-K244 VanDerWaalsContact O-N 3.09Å; Y242-T245 WeakPolarHBondContact O-CB 3.46Å; Y242-T245 PolarHBondContact O-N 3.37Å; Y242-T245 PolarHBondContact O-OG1 2.9Å; Y242-Y248 HydrophobicContact CD1-CG 4.49Å; Y242-Y248 HydrophobicContact CE1-CD2 4.12Å; Y242-Y248 HydrophobicContact CE1-CG 4.21Å; Y242-R249 PolarHBondContact OH-N 3.43Å; Y242-P301 HydrophobicContact CD2-CG 4.39Å; Y242-P301 HydrophobicContact CE2-CG 4.2Å
243	C	95.4	Very high	95.6	Very high	15 Å²	15	55.7 Å²	55.7	10%	0.101	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-69	-7.7	-178.6	-62.5	0	0	0	0	114.1	I238 T241 Y248 C264	I238-C243 WeakPolarHBondContact CD1-SG 3.4Å; T241-C243 PolarHBondContact O-N 3.37Å; C243-Y248 WeakPolarHBondContact O-CE1 3.39Å; C243-C264 WeakPolarHBondContact CA-SG 3.49Å; C243-C264 HydrophobicContact CB-CB 3.65Å; C243-C264 WeakPolarHBondContact CB-SG 3.15Å; C243-C264 WeakPolarHBondContact SG-CA 3.2Å; C243-C264 WeakPolarHBondContact SG-CB 3.17Å; C243-C264 CovalentContact SG-SG 2.04Å; C243-C264 PolarHBondContact SG-SG 2.77Å
244	K	94.2	Very high	95.6	Very high	159 Å²	159	56.2 Å²	56.2	69%	0.691	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-100.3	-9.8	174.6	-58.6	177.1	-177.6	172.4	0	112.4	T241 Y242	T241-K244 WeakPolarHBondContact O-CB 3.41Å; T241-K244 PolarHBondContact O-N 2.91Å; Y242-K244 PolarHBondContact O-N 2.93Å; Y242-K244 VanDerWaalsContact O-N 3.09Å
245	T	93.1	Very high	95.5	Very high	80 Å²	80	56.5 Å²	56.5	49%	0.491	29%	0.291	S	S	.	.	S	Bend	trans	-74.4	135	179.7	-52.2	0	0	0	0	110	T241 Y242 G247 Y248	T241-T245 PolarHBondContact O-N 2.88Å; T241-T245 PolarHBondContact O-OG1 3.3Å; Y242-T245 WeakPolarHBondContact O-CB 3.46Å; Y242-T245 PolarHBondContact O-N 3.37Å; Y242-T245 PolarHBondContact O-OG1 2.9Å; T245-G247 PolarHBondContact O-N 3.09Å; T245-Y248 WeakPolarHBondContact O-CD1 2.85Å
246	E	91.3	Very high	95.4	Very high	192 Å²	192	58.3 Å²	58.3	90%	0.897	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	137	175.7	-66.6	-169.8	164.2	0	0	111.3	Y248	E246-Y248 VanDerWaalsContact C-N 3.33Å; E246-Y248 PolarHBondContact O-N 2.9Å
247	G	89.9	Confident	95.1	Very high	85 Å²	85	62.3 Å²	62.3	88%	0.876	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	70	22	176.2	0	0	0	0	0	115.3	T245	T245-G247 PolarHBondContact O-N 3.09Å
248	Y	92.3	Very high	94.2	Very high	68 Å²	68	66.3 Å²	66.3	27%	0.267	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-56.4	148.5	174.9	71.9	-101.2	0	0	0	111.8	Y242 C243 T245 E246 Q250 C264	Y242-Y248 HydrophobicContact CD1-CG 4.49Å; Y242-Y248 HydrophobicContact CE1-CD2 4.12Å; Y242-Y248 HydrophobicContact CE1-CG 4.21Å; C243-Y248 WeakPolarHBondContact O-CE1 3.39Å; T245-Y248 WeakPolarHBondContact O-CD1 2.85Å; E246-Y248 VanDerWaalsContact C-N 3.33Å; E246-Y248 PolarHBondContact O-N 2.9Å; Y248-Q250 HydrophobicContact CD2-CG 4.48Å; Y248-Q250 HydrophobicContact CE2-CG 3.91Å; Y248-Q250 PolarHBondContact O-N 3.37Å; Y248-C264 HydrophobicContact CE2-CB 3.89Å
249	R	93.1	Very high	93.3	Very high	120 Å²	120	70.3 Å²	70.3	45%	0.453	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-72.8	118.1	179.3	-178.4	-175.5	171.8	-172.2	-6.9	109.5	L90 Y242 V251	L90-R249 PolarHBondContact O-NH2 3.06Å; Y242-R249 PolarHBondContact OH-N 3.43Å; R249-V251 HydrophobicContact CG-CG1 3.98Å
250	Q	94.6	Very high	92.8	Very high	142 Å²	142	70.5 Å²	70.5	66%	0.664	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-73.1	132	171	-69.3	-175.4	-29.1	0	0	110.5	Y248 D262	Y248-Q250 HydrophobicContact CD2-CG 4.48Å; Y248-Q250 HydrophobicContact CE2-CG 3.91Å; Y248-Q250 PolarHBondContact O-N 3.37Å; Q250-D262 WeakPolarHBondContact CA-OD1 3.26Å; Q250-D262 WeakPolarHBondContact CB-OD1 3.42Å
251	V	96.1	Very high	92.6	Very high	8 Å²	8	74.7 Å²	74.7	5%	0.048	41%	0.41	C	S	.	.			trans	-143.2	152.7	-179.5	-63.6	0	0	0	0	108.8	Q88 R249 D262 E263	Q88-V251 HydrophobicContact CG-CG2 4.19Å; R249-V251 HydrophobicContact CG-CG1 3.98Å; V251-D262 PolarHBondContact N-OD1 3.36Å; V251-D262 WeakPolarHBondContact O-CA 3.46Å; V251-E263 HydrophobicContact CG2-CB 3.85Å; V251-E263 PolarHBondContact O-N 3.19Å
252	P	97.4	Very high	92.6	Very high	27 Å²	27	73 Å²	73	18%	0.175	40%	0.399	C	S	.	.	B	Isolated β-bridge	trans	-58.9	150.7	171.8	25.8	-34.7	0	0	0	110.9	G87 L90 H254 S260	G87-P252 WeakPolarHBondContact CA-O 3.31Å; G87-P252 PolarHBondContact N-O 3.04Å; G87-P252 VanDerWaalsContact N-O 3.16Å; L90-P252 HydrophobicContact CD1-CG 3.65Å; P252-H254 PolarHBondContact O-N 2.99Å; P252-S260 WeakPolarHBondContact CB-OG 3.42Å
253	Y	96.9	Very high	92.6	Very high	39 Å²	39	71.1 Å²	71.1	15%	0.153	39%	0.391	C	S	.	.	S	Bend	trans	-54.7	-39.7	177.5	179.5	-117.4	0	0	0	112.5	S86 S260 R261 E266 Y267 F280	S86-Y253 WeakPolarHBondContact CA-O 3.44Å; Y253-S260 PolarHBondContact N-OG 3.29Å; Y253-R261 WeakPolarHBondContact CB-O 3.48Å; Y253-R261 PolarHBondContact N-O 3.39Å; Y253-E266 HydrophobicContact CD1-CG 4.02Å; Y253-E266 HydrophobicContact CD2-CB 3.54Å; Y253-E266 HydrophobicContact CD2-CG 3.5Å; Y253-E266 VanDerWaalsContact CD2-CG 3.5Å; Y253-E266 HydrophobicContact CE1-CG 4.11Å; Y253-E266 HydrophobicContact CE2-CB 3.97Å; Y253-E266 HydrophobicContact CE2-CG 3.56Å; Y253-E266 HydrophobicContact CG-CB 3.95Å; Y253-E266 HydrophobicContact CG-CG 3.72Å; Y253-Y267 HydrophobicContact CD2-CD1 4.48Å; Y253-Y267 HydrophobicContact CD2-CE1 4.19Å; Y253-Y267 AromaticContact CE2-CD1 3.81Å; Y253-Y267 HydrophobicContact CE2-CD1 3.81Å; Y253-Y267 AromaticContact CE2-CE1 3.47Å; Y253-Y267 HydrophobicContact CE2-CE1 3.47Å; Y253-Y267 VanDerWaalsContact CE2-CE1 3.47Å; Y253-F280 WeakPolarHBondContact OH-CZ 3.06Å
254	H	97.8	Very high	92.6	Very high	35 Å²	35	70.5 Å²	70.5	16%	0.162	39%	0.387	C	S	.	.	S	Bend	trans	-119.1	141.9	172.3	-64.4	140.2	0	0	0	112.6	S85 P252 Y256 E257	S85-H254 VanDerWaalsContact CB-CD2 3.42Å; S85-H254 WeakPolarHBondContact CB-CD2 3.47Å; S85-H254 CarbonylContact O-C 3.09Å; S85-H254 WeakPolarHBondContact O-CA 3.04Å; P252-H254 PolarHBondContact O-N 2.99Å; H254-Y256 HydrophobicContact CB-CD1 4.09Å; H254-Y256 HydrophobicContact CB-CD2 4.4Å; H254-Y256 HydrophobicContact CB-CE1 3.83Å; H254-Y256 HydrophobicContact CB-CE2 4.09Å; H254-Y256 HydrophobicContact CB-CG 4.39Å; H254-Y256 AromaticContact CG-CZ 3.72Å; H254-Y256 AromaticContact ND1-CZ 3.88Å; H254-Y256 PolarHBondContact O-N 3.21Å; H254-Y256 VanDerWaalsContact O-N 3.13Å; H254-E257 HydrophobicContact CB-CB 4.22Å; H254-E257 HydrophobicContact CB-CG 4.32Å; H254-E257 IonicContact CE1-OE2 2.68Å; H254-E257 IonicContact CG-OE2 3.28Å; H254-E257 IonicContact ND1-OE1 2.56Å; H254-E257 IonicContact ND1-OE2 2.67Å; H254-E257 PolarHBondContact ND1-OE2 2.81Å; H254-E257 PolarHBondContact O-N 2.74Å
255	Y	97.8	Very high	92.7	Very high	7 Å²	7	64.8 Å²	64.8	3%	0.027	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-21.1	177.1	63.8	-105.3	0	0	0	113.5	S85 M89 A110 P111 F115 V119	S85-Y255 VanDerWaalsContact O-CD1 3.22Å; S85-Y255 WeakPolarHBondContact O-CD1 3.1Å; S85-Y255 PolarHBondContact O-N 3.26Å; M89-Y255 HydrophobicContact CB-CD1 4.23Å; M89-Y255 HydrophobicContact CG-CD1 4.44Å; A110-Y255 WeakPolarHBondContact CB-OH 3.45Å; P111-Y255 HydrophobicContact CG-CE2 4.42Å; P111-Y255 VanDerWaalsContact O-CE2 3.29Å; P111-Y255 WeakPolarHBondContact O-CE2 3.01Å; P111-Y255 PolarHBondContact O-OH 2.99Å; F115-Y255 HydrophobicContact CB-CD2 4.25Å; F115-Y255 HydrophobicContact CB-CE2 4.15Å; F115-Y255 AromaticContact CD1-CD2 3.77Å; F115-Y255 HydrophobicContact CD1-CD2 3.77Å; F115-Y255 HydrophobicContact CD1-CE2 4.41Å; F115-Y255 HydrophobicContact CD2-CD2 4.07Å; F115-Y255 AromaticContact CD2-CE2 3.98Å; F115-Y255 HydrophobicContact CD2-CE2 3.98Å; F115-Y255 HydrophobicContact CE1-CD2 4.15Å; F115-Y255 WeakPolarHBondContact CE1-O 3.21Å; F115-Y255 HydrophobicContact CE2-CD2 4.43Å; F115-Y255 AromaticContact CG-CD2 3.74Å; F115-Y255 HydrophobicContact CG-CD2 3.74Å; F115-Y255 AromaticContact CG-CE2 3.91Å; F115-Y255 HydrophobicContact CG-CE2 3.91Å; F115-Y255 HydrophobicContact CZ-CD2 4.47Å; V119-Y255 HydrophobicContact CG1-CD1 4.21Å; V119-Y255 HydrophobicContact CG1-CD2 4.26Å; V119-Y255 HydrophobicContact CG1-CE1 4.02Å; V119-Y255 HydrophobicContact CG1-CE2 4.09Å; V119-Y255 HydrophobicContact CG1-CG 4.34Å; V119-Y255 HydrophobicContact CG2-CE2 4.39Å
256	Y	96.1	Very high	92.8	Very high	41 Å²	41	62.6 Å²	62.6	16%	0.161	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104	3.8	-175.1	54.7	-91.9	0	0	0	114.2	A110 P111 H254	A110-Y256 HydrophobicContact CB-CD1 4.34Å; A110-Y256 HydrophobicContact CB-CE1 3.67Å; P111-Y256 VanDerWaalsContact CD-CD1 3.42Å; P111-Y256 HydrophobicContact CG-CD1 4.27Å; P111-Y256 HydrophobicContact CG-CD2 4.41Å; P111-Y256 HydrophobicContact CG-CG 3.84Å; H254-Y256 HydrophobicContact CB-CD1 4.09Å; H254-Y256 HydrophobicContact CB-CD2 4.4Å; H254-Y256 HydrophobicContact CB-CE1 3.83Å; H254-Y256 HydrophobicContact CB-CE2 4.09Å; H254-Y256 HydrophobicContact CB-CG 4.39Å; H254-Y256 AromaticContact CG-CZ 3.72Å; H254-Y256 AromaticContact ND1-CZ 3.88Å; H254-Y256 PolarHBondContact O-N 3.21Å; H254-Y256 VanDerWaalsContact O-N 3.13Å
257	E	91.8	Very high	93	Very high	84 Å²	84	54.4 Å²	54.4	39%	0.393	32%	0.315	S	S	.	.	S	Bend	trans	-121.1	77.8	178.6	-68.5	170.5	174	0	0	109.1	H254 G259 S260	H254-E257 HydrophobicContact CB-CB 4.22Å; H254-E257 HydrophobicContact CB-CG 4.32Å; H254-E257 IonicContact CE1-OE2 2.68Å; H254-E257 IonicContact CG-OE2 3.28Å; H254-E257 IonicContact ND1-OE1 2.56Å; H254-E257 IonicContact ND1-OE2 2.67Å; H254-E257 PolarHBondContact ND1-OE2 2.81Å; H254-E257 PolarHBondContact O-N 2.74Å; E257-G259 PolarHBondContact O-N 2.87Å; E257-S260 VanDerWaalsContact O-CB 3.22Å; E257-S260 WeakPolarHBondContact O-CB 3.01Å; E257-S260 PolarHBondContact O-N 2.86Å; E257-S260 VanDerWaalsContact O-N 3.11Å; E257-S260 PolarHBondContact O-OG 2.74Å
258	A	79.9	Confident	93.3	Very high	102 Å²	102	53.8 Å²	53.8	84%	0.843	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	134.1	175.8	0	0	0	0	0	110.5	S260	A258-S260 VanDerWaalsContact C-N 3.26Å; A258-S260 PolarHBondContact O-N 2.81Å
259	G	78.7	Confident	93.4	Very high	85 Å²	85	54.3 Å²	54.3	88%	0.876	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	7.5	-177.5	0	0	0	0	0	115.1	E257	E257-G259 PolarHBondContact O-N 2.87Å
260	S	86.1	Confident	93.4	Very high	36 Å²	36	50.5 Å²	50.5	25%	0.252	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-64	169.3	166.8	58.4	0	0	0	0	111.8	P252 Y253 E257 A258	P252-S260 WeakPolarHBondContact CB-OG 3.42Å; Y253-S260 PolarHBondContact N-OG 3.29Å; E257-S260 VanDerWaalsContact O-CB 3.22Å; E257-S260 WeakPolarHBondContact O-CB 3.01Å; E257-S260 PolarHBondContact O-N 2.86Å; E257-S260 VanDerWaalsContact O-N 3.11Å; E257-S260 PolarHBondContact O-OG 2.74Å; A258-S260 VanDerWaalsContact C-N 3.26Å; A258-S260 PolarHBondContact O-N 2.81Å
261	R	90	Very high	93.3	Very high	135 Å²	135	45.6 Å²	45.6	51%	0.509	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-56.1	145.5	175.4	-167.6	-178.1	-62.8	-133.6	-6.8	109.9	Y253 A265 E266	Y253-R261 WeakPolarHBondContact CB-O 3.48Å; Y253-R261 PolarHBondContact N-O 3.39Å; R261-A265 HydrophobicContact CG-CB 3.95Å; R261-E266 WeakPolarHBondContact CD-OE2 3.43Å; R261-E266 IonicContact NE-OE2 3.74Å; R261-E266 PolarHBondContact NE-OE2 3.29Å
262	D	95.2	Very high	93	Very high	33 Å²	33	49.6 Å²	49.6	18%	0.176	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-51.8	139.3	168.9	171.2	78.2	0	0	0	111.4	Q250 V251 C264 A265 E266	Q250-D262 WeakPolarHBondContact CA-OD1 3.26Å; Q250-D262 WeakPolarHBondContact CB-OD1 3.42Å; V251-D262 PolarHBondContact N-OD1 3.36Å; V251-D262 WeakPolarHBondContact O-CA 3.46Å; D262-C264 PolarHBondContact O-N 2.91Å; D262-C264 WeakPolarHBondContact OD2-CB 3.41Å; D262-C264 PolarHBondContact OD2-N 3.38Å; D262-A265 HydrophobicContact CB-CB 4.11Å; D262-A265 PolarHBondContact O-N 2.72Å; D262-A265 PolarHBondContact OD2-N 2.04Å; D262-E266 PolarHBondContact O-N 2.94Å
263	E	96.6	Very high	92.5	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-54.6	-48.2	-176.7	175.6	-179.1	-140.9	0	0	112.4	S86 Q88 I238 V251 E266 Y267	S86-E263 WeakPolarHBondContact CB-OE1 3.2Å; S86-E263 PolarHBondContact OG-OE1 2.9Å; S86-E263 PolarHBondContact OG-OE2 3.44Å; Q88-E263 WeakPolarHBondContact CG-OE2 3.43Å; Q88-E263 PolarHBondContact NE2-OE2 3.04Å; I238-E263 HydrophobicContact CD1-CG 4.44Å; V251-E263 HydrophobicContact CG2-CB 3.85Å; V251-E263 PolarHBondContact O-N 3.19Å; E263-E266 PolarHBondContact O-N 3.46Å; E263-Y267 HydrophobicContact CG-CD2 3.9Å; E263-Y267 HydrophobicContact CG-CE1 4.46Å; E263-Y267 HydrophobicContact CG-CE2 3.29Å; E263-Y267 PolarHBondContact O-N 3.26Å; E263-Y267 WeakPolarHBondContact OE1-CE2 3.19Å; E263-Y267 PolarHBondContact OE1-OH 3.18Å
264	C	96.8	Very high	91.8	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.007	31%	0.311	C	S	.	.	H	α-helix	trans	-69.6	-39.3	-177.8	-77.2	0	0	0	0	111.5	C243 Y248 D262 E266 Y267 H268	C243-C264 WeakPolarHBondContact CA-SG 3.49Å; C243-C264 HydrophobicContact CB-CB 3.65Å; C243-C264 WeakPolarHBondContact CB-SG 3.15Å; C243-C264 WeakPolarHBondContact SG-CA 3.2Å; C243-C264 WeakPolarHBondContact SG-CB 3.17Å; C243-C264 CovalentContact SG-SG 2.04Å; C243-C264 PolarHBondContact SG-SG 2.77Å; Y248-C264 HydrophobicContact CE2-CB 3.89Å; D262-C264 PolarHBondContact O-N 2.91Å; D262-C264 WeakPolarHBondContact OD2-CB 3.41Å; D262-C264 PolarHBondContact OD2-N 3.38Å; C264-E266 VanDerWaalsContact C-N 3.33Å; C264-E266 PolarHBondContact O-N 3.14Å; C264-Y267 PolarHBondContact O-N 2.9Å; C264-H268 PolarHBondContact O-CD2 3.2Å; C264-H268 PolarHBondContact O-N 2.8Å
265	A	95.5	Very high	91	Very high	40 Å²	40	59.6 Å²	59.6	33%	0.331	34%	0.34	S	S	.	.	H	α-helix	trans	-61.3	-39.7	174.4	0	0	0	0	0	112.6	R261 D262 L269	R261-A265 HydrophobicContact CG-CB 3.95Å; D262-A265 HydrophobicContact CB-CB 4.11Å; D262-A265 PolarHBondContact O-N 2.72Å; D262-A265 PolarHBondContact OD2-N 2.04Å; A265-L269 WeakPolarHBondContact O-CB 3.27Å; A265-L269 PolarHBondContact O-N 3.29Å; A265-L269 VanDerWaalsContact O-N 3.08Å
266	E	95.6	Very high	90.1	Very high	34 Å²	34	61.7 Å²	61.7	16%	0.159	36%	0.363	C	S	.	.	H	α-helix	trans	-67.1	-43.5	174.8	-168.7	68.9	-169.4	0	0	111.5	Y253 R261 D262 E263 C264 H268 L269 H270	Y253-E266 HydrophobicContact CD1-CG 4.02Å; Y253-E266 HydrophobicContact CD2-CB 3.54Å; Y253-E266 HydrophobicContact CD2-CG 3.5Å; Y253-E266 VanDerWaalsContact CD2-CG 3.5Å; Y253-E266 HydrophobicContact CE1-CG 4.11Å; Y253-E266 HydrophobicContact CE2-CB 3.97Å; Y253-E266 HydrophobicContact CE2-CG 3.56Å; Y253-E266 HydrophobicContact CG-CB 3.95Å; Y253-E266 HydrophobicContact CG-CG 3.72Å; R261-E266 WeakPolarHBondContact CD-OE2 3.43Å; R261-E266 IonicContact NE-OE2 3.74Å; R261-E266 PolarHBondContact NE-OE2 3.29Å; D262-E266 PolarHBondContact O-N 2.94Å; E263-E266 PolarHBondContact O-N 3.46Å; C264-E266 VanDerWaalsContact C-N 3.33Å; C264-E266 PolarHBondContact O-N 3.14Å; E266-H268 PolarHBondContact O-N 3.49Å; E266-L269 PolarHBondContact O-N 2.77Å; E266-H270 PolarHBondContact O-CD2 3.22Å; E266-H270 PolarHBondContact O-N 3.47Å; E266-H270 IonicContact OE1-CD2 3.76Å; E266-H270 PolarHBondContact OE1-CD2 3.48Å; E266-H270 IonicContact OE1-NE2 2.82Å; E266-H270 PolarHBondContact OE1-NE2 3.13Å; E266-H270 VanDerWaalsContact OE1-NE2 3.09Å
267	Y	95.7	Very high	89.6	Confident	19 Å²	19	59.8 Å²	59.8	8%	0.075	36%	0.357	C	S	.	.	H	α-helix	trans	-61.2	-44.4	176.1	-70.1	-22.5	0	0	0	112.5	I238 Y253 E263 C264 H270 E271 F280	I238-Y267 HydrophobicContact CD1-CD2 3.8Å; I238-Y267 HydrophobicContact CD1-CE2 3.51Å; I238-Y267 HydrophobicContact CG1-CD2 4.42Å; I238-Y267 HydrophobicContact CG1-CE2 3.79Å; Y253-Y267 HydrophobicContact CD2-CD1 4.48Å; Y253-Y267 HydrophobicContact CD2-CE1 4.19Å; Y253-Y267 AromaticContact CE2-CD1 3.81Å; Y253-Y267 HydrophobicContact CE2-CD1 3.81Å; Y253-Y267 AromaticContact CE2-CE1 3.47Å; Y253-Y267 HydrophobicContact CE2-CE1 3.47Å; Y253-Y267 VanDerWaalsContact CE2-CE1 3.47Å; E263-Y267 HydrophobicContact CG-CD2 3.9Å; E263-Y267 HydrophobicContact CG-CE1 4.46Å; E263-Y267 HydrophobicContact CG-CE2 3.29Å; E263-Y267 PolarHBondContact O-N 3.26Å; E263-Y267 WeakPolarHBondContact OE1-CE2 3.19Å; E263-Y267 PolarHBondContact OE1-OH 3.18Å; C264-Y267 PolarHBondContact O-N 2.9Å; Y267-H270 PolarHBondContact O-N 2.91Å; Y267-E271 WeakPolarHBondContact O-CB 3.35Å; Y267-E271 PolarHBondContact O-N 3.34Å; Y267-F280 HydrophobicContact CD1-CB 3.72Å; Y267-F280 HydrophobicContact CD1-CD1 4.41Å; Y267-F280 AromaticContact CD1-CD2 3.37Å; Y267-F280 HydrophobicContact CD1-CD2 3.37Å; Y267-F280 AromaticContact CD1-CE2 3.96Å; Y267-F280 HydrophobicContact CD1-CE2 3.96Å; Y267-F280 AromaticContact CD1-CG 3.61Å; Y267-F280 HydrophobicContact CD1-CG 3.61Å; Y267-F280 HydrophobicContact CE1-CB 4.18Å; Y267-F280 HydrophobicContact CE1-CD1 4.31Å; Y267-F280 HydrophobicContact CE1-CD2 4.01Å; Y267-F280 HydrophobicContact CE1-CE2 4.38Å; Y267-F280 AromaticContact CE1-CG 3.94Å; Y267-F280 HydrophobicContact CE1-CG 3.94Å; Y267-F280 HydrophobicContact CG-CB 4.15Å; Y267-F280 HydrophobicContact CG-CD2 4.3Å; Y267-F280 HydrophobicContact CG-CG 4.49Å
268	H	95.1	Very high	89.5	Confident	73 Å²	73	57.9 Å²	57.9	34%	0.338	35%	0.348	S	S	.	.	H	α-helix	trans	-65.7	-39	177.9	-73.1	-53.8	0	0	0	112.9	C264 E266 S272	C264-H268 PolarHBondContact O-CD2 3.2Å; C264-H268 PolarHBondContact O-N 2.8Å; E266-H268 PolarHBondContact O-N 3.49Å; H268-S272 WeakPolarHBondContact O-CB 3.41Å; H268-S272 PolarHBondContact O-N 2.67Å; H268-S272 VanDerWaalsContact O-N 3.13Å; H268-S272 PolarHBondContact O-OG 3.21Å
269	L	94.1	Very high	90.1	Very high	78 Å²	78	54.5 Å²	54.5	41%	0.408	31%	0.313	S	S	.	.	H	α-helix	trans	-58.3	-51	174.1	179.3	70.3	0	0	0	110.7	A265 E266 S272 A273	A265-L269 WeakPolarHBondContact O-CB 3.27Å; A265-L269 PolarHBondContact O-N 3.29Å; A265-L269 VanDerWaalsContact O-N 3.08Å; E266-L269 PolarHBondContact O-N 2.77Å; L269-S272 PolarHBondContact O-OG 2.74Å; L269-A273 WeakPolarHBondContact O-CB 3.44Å; L269-A273 PolarHBondContact O-N 3.13Å; L269-A273 VanDerWaalsContact O-N 3.07Å
270	H	93.5	Very high	90.9	Very high	41 Å²	41	51.2 Å²	51.2	19%	0.19	28%	0.275	C	S	.	.	H	α-helix	trans	-69.5	-39.4	-179.2	-85.4	-101.6	0	0	0	113.1	E266 Y267 S272 A273 H278 R279 F280	E266-H270 PolarHBondContact O-CD2 3.22Å; E266-H270 PolarHBondContact O-N 3.47Å; E266-H270 IonicContact OE1-CD2 3.76Å; E266-H270 PolarHBondContact OE1-CD2 3.48Å; E266-H270 IonicContact OE1-NE2 2.82Å; E266-H270 PolarHBondContact OE1-NE2 3.13Å; E266-H270 VanDerWaalsContact OE1-NE2 3.09Å; Y267-H270 PolarHBondContact O-N 2.91Å; H270-S272 VanDerWaalsContact C-N 3.27Å; H270-S272 PolarHBondContact O-N 2.86Å; H270-A273 PolarHBondContact O-N 2.84Å; H270-H278 CarbonylContact C-O 3.59Å; H270-H278 HydrophobicContact CB-CB 4.48Å; H270-H278 AromaticContact ND1-CD2 3.72Å; H270-H278 PolarHBondContact ND1-N 3.17Å; H270-R279 PolarHBondContact O-NH1 3.01Å; H270-F280 HydrophobicContact CB-CD2 3.66Å; H270-F280 HydrophobicContact CB-CE2 3.59Å; H270-F280 AromaticContact CG-CE2 3.68Å; H270-F280 AromaticContact ND1-CE2 3.99Å
271	E	92.7	Very high	91.3	Very high	39 Å²	39	50.7 Å²	50.7	18%	0.182	27%	0.269	C	S	.	.	H	α-helix	trans	-61.7	-38.4	-179.7	-171	68.7	-159.9	0	0	111.3	Y267 H278 R279 F280 I281 T282	Y267-E271 WeakPolarHBondContact O-CB 3.35Å; Y267-E271 PolarHBondContact O-N 3.34Å; E271-H278 PolarHBondContact N-O 2.89Å; E271-R279 WeakPolarHBondContact O-CD 3.43Å; E271-R279 VanDerWaalsContact O-CZ 3.31Å; E271-R279 PolarHBondContact O-NH1 3.47Å; E271-R279 WeakPolarHBondContact OE2-CA 3.38Å; E271-F280 PolarHBondContact OE2-N 3.48Å; E271-I281 HydrophobicContact CB-CD1 4.28Å; E271-I281 HydrophobicContact CB-CG1 4.46Å; E271-I281 HydrophobicContact CG-CB 4.12Å; E271-I281 HydrophobicContact CG-CD1 4.16Å; E271-I281 HydrophobicContact CG-CG1 4.28Å; E271-I281 WeakPolarHBondContact OE2-CB 3.47Å; E271-I281 PolarHBondContact OE2-N 2.95Å; E271-T282 WeakPolarHBondContact OE1-CB 3.33Å; E271-T282 PolarHBondContact OE1-N 3.5Å; E271-T282 PolarHBondContact OE1-OG1 3.11Å; E271-T282 PolarHBondContact OE2-N 2.78Å
272	S	89.6	Confident	91.5	Very high	92 Å²	92	46.2 Å²	46.2	64%	0.643	26%	0.257	S	S	*	.	H	α-helix	trans	-90.5	-14.6	-177.4	63.7	0	0	0	0	114.1	H268 L269 H270	H268-S272 WeakPolarHBondContact O-CB 3.41Å; H268-S272 PolarHBondContact O-N 2.67Å; H268-S272 VanDerWaalsContact O-N 3.13Å; H268-S272 PolarHBondContact O-OG 3.21Å; L269-S272 PolarHBondContact O-OG 2.74Å; H270-S272 VanDerWaalsContact C-N 3.27Å; H270-S272 PolarHBondContact O-N 2.86Å
273	A	88.2	Confident	91.6	Very high	21 Å²	21	44.8 Å²	44.8	17%	0.174	25%	0.249	C	C	.	.			trans	-59.1	131.4	-175	0	0	0	0	0	111.7	L269 H270 Y275 R279	L269-A273 WeakPolarHBondContact O-CB 3.44Å; L269-A273 PolarHBondContact O-N 3.13Å; L269-A273 VanDerWaalsContact O-N 3.07Å; H270-A273 PolarHBondContact O-N 2.84Å; A273-Y275 VanDerWaalsContact C-N 3.32Å; A273-Y275 PolarHBondContact O-N 2.9Å; A273-R279 VanDerWaalsContact O-CZ 3.3Å; A273-R279 PolarHBondContact O-NH1 3.24Å; A273-R279 PolarHBondContact O-NH2 3.27Å
274	P	81.5	Confident	91.6	Very high	97 Å²	97	45.2 Å²	45.2	63%	0.63	25%	0.251	S	S	*	.	S	Bend	trans	-68	-33	-178.2	26.2	-33.9	0	0	0	112.3
275	Y	81.2	Confident	91.6	Very high	192 Å²	192	47.6 Å²	47.6	75%	0.753	27%	0.267	S	S	*	.	S	Bend	trans	-142.6	149.9	178	-58.7	-76.3	0	0	0	111.6	G212 A273 G277	G212-Y275 CarbonylContact O-C 3.28Å; G212-Y275 VanDerWaalsContact O-CA 3.26Å; G212-Y275 WeakPolarHBondContact O-CA 3.49Å; A273-Y275 VanDerWaalsContact C-N 3.32Å; A273-Y275 PolarHBondContact O-N 2.9Å; Y275-G277 PolarHBondContact O-N 3.38Å; Y275-G277 VanDerWaalsContact O-N 3.09Å
276	G	78.3	Confident	91.6	Very high	51 Å²	51	46 Å²	46	53%	0.526	25%	0.253	S	S	.	.	S	Bend	trans	74.5	-5.2	170.4	0	0	0	0	0	115.4	G212	G212-G276 PolarHBondContact O-N 2.87Å
277	G	85.8	Confident	91.7	Very high	2 Å²	2	44.5 Å²	44.5	2%	0.021	25%	0.246	C	C	.	.			trans	-75.7	-177.8	174.1	0	0	0	0	0	113.7	S213 Y214 Y275	S213-G277 WeakPolarHBondContact CA-O 3.34Å; S213-G277 PolarHBondContact OG-O 3.23Å; Y214-G277 PolarHBondContact N-O 3.36Å; Y275-G277 PolarHBondContact O-N 3.38Å; Y275-G277 VanDerWaalsContact O-N 3.09Å
278	H	90.4	Very high	91.8	Very high	44 Å²	44	44.4 Å²	44.4	20%	0.204	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-120.9	144.6	170.8	-67.1	-63	0	0	0	108.7	S213 Y214 H270 E271 F280	S213-H278 VanDerWaalsContact OG-CA 3.32Å; S213-H278 WeakPolarHBondContact OG-CA 3.39Å; Y214-H278 PolarHBondContact O-ND1 2.87Å; H270-H278 CarbonylContact C-O 3.59Å; H270-H278 HydrophobicContact CB-CB 4.48Å; H270-H278 AromaticContact ND1-CD2 3.72Å; H270-H278 PolarHBondContact ND1-N 3.17Å; E271-H278 PolarHBondContact N-O 2.89Å; H278-F280 HydrophobicContact CB-CD1 3.85Å; H278-F280 HydrophobicContact CB-CD2 3.88Å; H278-F280 HydrophobicContact CB-CE1 3.6Å; H278-F280 HydrophobicContact CB-CE2 3.67Å; H278-F280 HydrophobicContact CB-CG 3.99Å; H278-F280 HydrophobicContact CB-CZ 3.51Å; H278-F280 AromaticContact CD2-CE1 3.95Å; H278-F280 AromaticContact CD2-CZ 3.39Å; H278-F280 WeakPolarHBondContact CD2-CZ 3.43Å; H278-F280 AromaticContact CG-CE1 3.88Å; H278-F280 AromaticContact CG-CZ 3.69Å; H278-F280 PolarHBondContact O-N 2.93Å; H278-F280 VanDerWaalsContact O-N 3.14Å
279	R	92.5	Very high	91.9	Very high	30 Å²	30	46.4 Å²	46.4	11%	0.113	26%	0.257	C	S	.	.			trans	-89.4	59	174	-55.6	-53.9	179.8	-137.8	6.2	111.1	F200 S211 S213 H270 E271 A273 I281 T282 E283	F200-R279 HydrophobicContact CZ-CB 4.26Å; F200-R279 HydrophobicContact CZ-CG 4.38Å; S211-R279 PolarHBondContact O-NH2 2.83Å; S213-R279 PolarHBondContact OG-N 2.87Å; H270-R279 PolarHBondContact O-NH1 3.01Å; E271-R279 WeakPolarHBondContact O-CD 3.43Å; E271-R279 VanDerWaalsContact O-CZ 3.31Å; E271-R279 PolarHBondContact O-NH1 3.47Å; E271-R279 WeakPolarHBondContact OE2-CA 3.38Å; A273-R279 VanDerWaalsContact O-CZ 3.3Å; A273-R279 PolarHBondContact O-NH1 3.24Å; A273-R279 PolarHBondContact O-NH2 3.27Å; R279-I281 VanDerWaalsContact C-N 3.31Å; R279-I281 PolarHBondContact O-N 3.42Å; R279-T282 PolarHBondContact O-N 3.4Å; R279-E283 WeakPolarHBondContact O-CB 3.47Å; R279-E283 VanDerWaalsContact O-CG 3.27Å; R279-E283 WeakPolarHBondContact O-CG 3.42Å; R279-E283 PolarHBondContact O-N 3.22Å
280	F	94.6	Very high	92	Very high	16 Å²	16	43.2 Å²	43.2	7%	0.07	24%	0.24	C	C	.	.	H	α-helix	trans	-56	-39.1	-173.9	-67.9	-56.2	0	0	0	114.5	Y253 Y267 H270 E271 H278 K284	Y253-F280 WeakPolarHBondContact OH-CZ 3.06Å; Y267-F280 HydrophobicContact CD1-CB 3.72Å; Y267-F280 HydrophobicContact CD1-CD1 4.41Å; Y267-F280 AromaticContact CD1-CD2 3.37Å; Y267-F280 HydrophobicContact CD1-CD2 3.37Å; Y267-F280 AromaticContact CD1-CE2 3.96Å; Y267-F280 HydrophobicContact CD1-CE2 3.96Å; Y267-F280 AromaticContact CD1-CG 3.61Å; Y267-F280 HydrophobicContact CD1-CG 3.61Å; Y267-F280 HydrophobicContact CE1-CB 4.18Å; Y267-F280 HydrophobicContact CE1-CD1 4.31Å; Y267-F280 HydrophobicContact CE1-CD2 4.01Å; Y267-F280 HydrophobicContact CE1-CE2 4.38Å; Y267-F280 AromaticContact CE1-CG 3.94Å; Y267-F280 HydrophobicContact CE1-CG 3.94Å; Y267-F280 HydrophobicContact CG-CB 4.15Å; Y267-F280 HydrophobicContact CG-CD2 4.3Å; Y267-F280 HydrophobicContact CG-CG 4.49Å; H270-F280 HydrophobicContact CB-CD2 3.66Å; H270-F280 HydrophobicContact CB-CE2 3.59Å; H270-F280 AromaticContact CG-CE2 3.68Å; H270-F280 AromaticContact ND1-CE2 3.99Å; E271-F280 PolarHBondContact OE2-N 3.48Å; H278-F280 HydrophobicContact CB-CD1 3.85Å; H278-F280 HydrophobicContact CB-CD2 3.88Å; H278-F280 HydrophobicContact CB-CE1 3.6Å; H278-F280 HydrophobicContact CB-CE2 3.67Å; H278-F280 HydrophobicContact CB-CG 3.99Å; H278-F280 HydrophobicContact CB-CZ 3.51Å; H278-F280 AromaticContact CD2-CE1 3.95Å; H278-F280 AromaticContact CD2-CZ 3.39Å; H278-F280 WeakPolarHBondContact CD2-CZ 3.43Å; H278-F280 AromaticContact CG-CE1 3.88Å; H278-F280 AromaticContact CG-CZ 3.69Å; H278-F280 PolarHBondContact O-N 2.93Å; H278-F280 VanDerWaalsContact O-N 3.14Å; F280-K284 WeakPolarHBondContact O-CD 3.49Å; F280-K284 WeakPolarHBondContact O-CG 3.34Å; F280-K284 PolarHBondContact O-N 3.36Å
281	I	95.2	Very high	92.2	Very high	25 Å²	25	41.8 Å²	41.8	13%	0.128	24%	0.235	C	C	.	.	H	α-helix	trans	-75.2	-43.3	-180	-58.4	179.2	0	0	0	109.2	D240 E271 R279 E283 K284 S285	D240-I281 HydrophobicContact CB-CG2 3.96Å; D240-I281 WeakPolarHBondContact O-CG2 3.46Å; E271-I281 HydrophobicContact CB-CD1 4.28Å; E271-I281 HydrophobicContact CB-CG1 4.46Å; E271-I281 HydrophobicContact CG-CB 4.12Å; E271-I281 HydrophobicContact CG-CD1 4.16Å; E271-I281 HydrophobicContact CG-CG1 4.28Å; E271-I281 WeakPolarHBondContact OE2-CB 3.47Å; E271-I281 PolarHBondContact OE2-N 2.95Å; R279-I281 VanDerWaalsContact C-N 3.31Å; R279-I281 PolarHBondContact O-N 3.42Å; I281-E283 PolarHBondContact O-N 3.28Å; I281-K284 PolarHBondContact O-N 3.09Å; I281-S285 PolarHBondContact O-N 3.03Å; I281-S285 VanDerWaalsContact O-N 3.1Å
282	T	94.4	Very high	92.4	Very high	42 Å²	42	45.8 Å²	45.8	26%	0.258	25%	0.251	S	S	.	.	H	α-helix	trans	-60.7	-42.6	173.9	-61.1	0	0	0	0	112.1	F200 T204 E271 R279 K284 S285 V286	F200-T282 HydrophobicContact CE2-CG2 4.37Å; F200-T282 HydrophobicContact CZ-CG2 4.26Å; T204-T282 HydrophobicContact CG2-CG2 3.54Å; E271-T282 WeakPolarHBondContact OE1-CB 3.33Å; E271-T282 PolarHBondContact OE1-N 3.5Å; E271-T282 PolarHBondContact OE1-OG1 3.11Å; E271-T282 PolarHBondContact OE2-N 2.78Å; R279-T282 PolarHBondContact O-N 3.4Å; T282-K284 VanDerWaalsContact C-N 3.33Å; T282-K284 PolarHBondContact O-N 2.95Å; T282-S285 PolarHBondContact O-N 3.29Å; T282-S285 PolarHBondContact O-OG 3.41Å; T282-V286 PolarHBondContact O-N 3.37Å
283	E	95.9	Very high	92.6	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.009	25%	0.253	C	S	.	.	H	α-helix	trans	-62.2	-41.5	176.7	-72.7	178.3	-169.7	0	0	111.4	F200 S216 W219 R279 I281 S285 V286 F287	F200-E283 HydrophobicContact CE2-CG 4.03Å; S216-E283 WeakPolarHBondContact CB-OE2 3.48Å; S216-E283 PolarHBondContact N-OE1 3.24Å; S216-E283 PolarHBondContact OG-OE2 3.37Å; W219-E283 HydrophobicContact CD2-CG 4.46Å; W219-E283 HydrophobicContact CE3-CB 4.04Å; W219-E283 HydrophobicContact CE3-CG 3.69Å; W219-E283 HydrophobicContact CZ3-CB 4.5Å; W219-E283 HydrophobicContact CZ3-CG 4.3Å; R279-E283 WeakPolarHBondContact O-CB 3.47Å; R279-E283 VanDerWaalsContact O-CG 3.27Å; R279-E283 WeakPolarHBondContact O-CG 3.42Å; R279-E283 PolarHBondContact O-N 3.22Å; I281-E283 PolarHBondContact O-N 3.28Å; E283-S285 PolarHBondContact O-N 2.91Å; E283-V286 WeakPolarHBondContact O-CB 3.46Å; E283-V286 PolarHBondContact O-N 3.45Å; E283-F287 HydrophobicContact CB-CE1 4.4Å; E283-F287 HydrophobicContact CB-CE2 4.22Å; E283-F287 HydrophobicContact CB-CZ 3.94Å; E283-F287 WeakPolarHBondContact O-CD1 3.32Å; E283-F287 WeakPolarHBondContact O-CG 3.36Å; E283-F287 PolarHBondContact O-N 3.06Å
284	K	96.9	Very high	92.9	Very high	10 Å²	10	49.8 Å²	49.8	4%	0.043	26%	0.264	C	S	.	.	H	α-helix	trans	-63.3	-37.3	177.8	-75.2	168.3	174.9	95.1	0	112.9	I238 D240 F280 I281 T282 V286 F287 A288 W303	I238-K284 HydrophobicContact CG1-CD 4.41Å; I238-K284 WeakPolarHBondContact O-CD 3.15Å; I238-K284 WeakPolarHBondContact O-CE 3.16Å; D240-K284 HydrophobicContact CB-CB 4.01Å; F280-K284 WeakPolarHBondContact O-CD 3.49Å; F280-K284 WeakPolarHBondContact O-CG 3.34Å; F280-K284 PolarHBondContact O-N 3.36Å; I281-K284 PolarHBondContact O-N 3.09Å; T282-K284 VanDerWaalsContact C-N 3.33Å; T282-K284 PolarHBondContact O-N 2.95Å; K284-V286 VanDerWaalsContact C-N 3.28Å; K284-V286 PolarHBondContact O-N 3.16Å; K284-F287 HydrophobicContact CG-CD2 4.47Å; K284-F287 PolarHBondContact O-N 3.44Å; K284-F287 VanDerWaalsContact O-N 3.16Å; K284-A288 PolarHBondContact O-N 3.3Å; K284-W303 HydrophobicContact CB-CH2 4.05Å; K284-W303 HydrophobicContact CG-CH2 4.17Å
285	S	96	Very high	93.6	Very high	51 Å²	51	48 Å²	48	36%	0.357	25%	0.254	S	S	.	.	H	α-helix	trans	-65.5	-35.1	176	74.2	0	0	0	0	111.6	I281 T282 E283 A288 K289	I281-S285 PolarHBondContact O-N 3.03Å; I281-S285 VanDerWaalsContact O-N 3.1Å; T282-S285 PolarHBondContact O-N 3.29Å; T282-S285 PolarHBondContact O-OG 3.41Å; E283-S285 PolarHBondContact O-N 2.91Å; S285-A288 PolarHBondContact O-N 3.35Å; S285-K289 PolarHBondContact O-N 2.92Å
286	V	96.6	Very high	94.4	Very high	6 Å²	6	39.2 Å²	39.2	4%	0.036	22%	0.22	C	C	.	.	H	α-helix	trans	-67.7	-41.6	171	178.8	0	0	0	0	111.4	E203 T204 W219 T282 E283 K284 A288 K289 W290	E203-V286 HydrophobicContact CB-CB 4.44Å; E203-V286 HydrophobicContact CB-CG1 3.73Å; E203-V286 HydrophobicContact CB-CG2 3.77Å; E203-V286 HydrophobicContact CG-CG1 3.72Å; T204-V286 HydrophobicContact CG2-CG2 3.89Å; W219-V286 HydrophobicContact CH2-CB 4.35Å; W219-V286 HydrophobicContact CH2-CG1 3.81Å; W219-V286 HydrophobicContact CZ3-CB 3.93Å; W219-V286 HydrophobicContact CZ3-CG1 3.78Å; W219-V286 HydrophobicContact CZ3-CG2 4.31Å; T282-V286 PolarHBondContact O-N 3.37Å; E283-V286 WeakPolarHBondContact O-CB 3.46Å; E283-V286 PolarHBondContact O-N 3.45Å; K284-V286 VanDerWaalsContact C-N 3.28Å; K284-V286 PolarHBondContact O-N 3.16Å; V286-A288 VanDerWaalsContact C-N 3.27Å; V286-A288 PolarHBondContact O-N 3.1Å; V286-K289 WeakPolarHBondContact O-CA 3.49Å; V286-K289 WeakPolarHBondContact O-CB 3.47Å; V286-K289 PolarHBondContact O-N 2.7Å; V286-W290 HydrophobicContact CG1-CD2 4.03Å; V286-W290 VanDerWaalsContact CG1-CE2 3.48Å; V286-W290 HydrophobicContact CG1-CG 4.47Å; V286-W290 HydrophobicContact CG1-CH2 4.27Å; V286-W290 HydrophobicContact CG1-CZ2 3.61Å; V286-W290 PolarHBondContact O-N 2.86Å
287	F	98	Very high	95.4	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.018	22%	0.216	C	C	.	.	H	α-helix	trans	-61.5	-37.4	176.9	-58.5	-17.5	0	0	0	112	W219 L222 M237 E283 K284 K289 W290 A291 F298 W303	W219-F287 HydrophobicContact CB-CZ 4.4Å; W219-F287 HydrophobicContact CD2-CE1 4.33Å; W219-F287 HydrophobicContact CE3-CD1 4.43Å; W219-F287 AromaticContact CE3-CE1 3.46Å; W219-F287 HydrophobicContact CE3-CE1 3.46Å; W219-F287 VanDerWaalsContact CE3-CE1 3.46Å; W219-F287 AromaticContact CE3-CZ 3.97Å; W219-F287 HydrophobicContact CE3-CZ 3.97Å; W219-F287 AromaticContact CZ3-CE1 3.93Å; W219-F287 HydrophobicContact CZ3-CE1 3.93Å; L222-F287 HydrophobicContact CB-CE1 4.42Å; L222-F287 HydrophobicContact CD2-CB 4.05Å; L222-F287 HydrophobicContact CD2-CD1 3.43Å; L222-F287 VanDerWaalsContact CD2-CD1 3.43Å; L222-F287 HydrophobicContact CD2-CD2 4.25Å; L222-F287 HydrophobicContact CD2-CE1 3.86Å; L222-F287 HydrophobicContact CD2-CG 3.65Å; L222-F287 HydrophobicContact CD2-CZ 4.45Å; M237-F287 HydrophobicContact CE-CE2 4.37Å; M237-F287 HydrophobicContact SD-CD2 3.79Å; M237-F287 HydrophobicContact SD-CE2 4.11Å; E283-F287 HydrophobicContact CB-CE1 4.4Å; E283-F287 HydrophobicContact CB-CE2 4.22Å; E283-F287 HydrophobicContact CB-CZ 3.94Å; E283-F287 WeakPolarHBondContact O-CD1 3.32Å; E283-F287 WeakPolarHBondContact O-CG 3.36Å; E283-F287 PolarHBondContact O-N 3.06Å; K284-F287 HydrophobicContact CG-CD2 4.47Å; K284-F287 PolarHBondContact O-N 3.44Å; K284-F287 VanDerWaalsContact O-N 3.16Å; F287-K289 VanDerWaalsContact C-N 3.3Å; F287-K289 PolarHBondContact O-N 3.28Å; F287-W290 AromaticContact CD1-CE3 3.85Å; F287-W290 HydrophobicContact CD1-CE3 3.85Å; F287-W290 AromaticContact CD1-CZ3 3.79Å; F287-W290 HydrophobicContact CD1-CZ3 3.79Å; F287-W290 HydrophobicContact CE1-CE3 4.34Å; F287-W290 HydrophobicContact CE1-CH2 4.45Å; F287-W290 AromaticContact CE1-CZ3 3.8Å; F287-W290 HydrophobicContact CE1-CZ3 3.8Å; F287-W290 PolarHBondContact O-N 2.6Å; F287-A291 WeakPolarHBondContact O-CB 3.4Å; F287-A291 PolarHBondContact O-N 3.28Å; F287-F298 HydrophobicContact CB-CZ 4.26Å; F287-W303 HydrophobicContact CB-CH2 4.11Å; F287-W303 HydrophobicContact CB-CZ3 4.13Å
288	A	97.2	Very high	96	Very high	17 Å²	17	42 Å²	42	14%	0.14	22%	0.217	C	C	.	.	H	α-helix	trans	-61.9	-39.9	174	0	0	0	0	0	111.2	K284 S285 V286 A291 W303 L305	K284-A288 PolarHBondContact O-N 3.3Å; S285-A288 PolarHBondContact O-N 3.35Å; V286-A288 VanDerWaalsContact C-N 3.27Å; V286-A288 PolarHBondContact O-N 3.1Å; A288-A291 PolarHBondContact O-N 2.93Å; A288-W303 HydrophobicContact CB-CE3 4.1Å; A288-W303 HydrophobicContact CB-CZ3 3.88Å; A288-L305 HydrophobicContact CB-CD2 4.29Å
289	K	96.4	Very high	96.3	Very high	114 Å²	114	42.1 Å²	42.1	50%	0.496	22%	0.217	S	C	.	.	H	α-helix	trans	-64.7	-45.2	174	-177.2	-175.6	175.6	-169.5	0	112	E203 S285 V286 F287 A291 K292	E203-K289 WeakPolarHBondContact OE2-CE 3.41Å; E203-K289 IonicContact OE2-NZ 2.7Å; E203-K289 PolarHBondContact OE2-NZ 2.96Å; S285-K289 PolarHBondContact O-N 2.92Å; V286-K289 WeakPolarHBondContact O-CA 3.49Å; V286-K289 WeakPolarHBondContact O-CB 3.47Å; V286-K289 PolarHBondContact O-N 2.7Å; F287-K289 VanDerWaalsContact C-N 3.3Å; F287-K289 PolarHBondContact O-N 3.28Å; K289-A291 VanDerWaalsContact C-N 3.3Å; K289-A291 PolarHBondContact O-N 3.21Å; K289-K292 WeakPolarHBondContact O-CB 3.27Å; K289-K292 PolarHBondContact O-N 3.42Å
290	W	97.5	Very high	96.5	Very high	12 Å²	12	42.6 Å²	42.6	5%	0.045	22%	0.222	C	C	.	.	H	α-helix	trans	-63.6	-35.8	178.3	-68.5	-12	0	0	0	112.7	V199 E203 W219 L222 I223 M226 V286 F287 K292 T293 H294 I296	V199-W290 HydrophobicContact CG1-CH2 4.16Å; V199-W290 HydrophobicContact CG1-CZ2 3.57Å; E203-W290 HydrophobicContact CG-CZ2 4.21Å; E203-W290 PolarHBondContact OE1-NE1 3.43Å; W219-W290 HydrophobicContact CD2-CH2 4.37Å; W219-W290 HydrophobicContact CE3-CH2 4.2Å; W219-W290 AromaticContact CH2-CH2 3.56Å; W219-W290 HydrophobicContact CH2-CH2 3.56Å; W219-W290 AromaticContact CH2-CZ2 3.68Å; W219-W290 HydrophobicContact CH2-CZ2 3.68Å; W219-W290 AromaticContact CZ2-CH2 3.73Å; W219-W290 HydrophobicContact CZ2-CH2 3.73Å; W219-W290 HydrophobicContact CZ2-CZ2 4.03Å; W219-W290 AromaticContact CZ3-CH2 3.81Å; W219-W290 HydrophobicContact CZ3-CH2 3.81Å; W219-W290 HydrophobicContact CZ3-CZ2 4.22Å; W219-W290 HydrophobicContact CZ3-CZ3 4.49Å; L222-W290 HydrophobicContact CB-CZ3 4.33Å; L222-W290 HydrophobicContact CD2-CE3 3.68Å; L222-W290 HydrophobicContact CD2-CZ3 3.99Å; L222-W290 HydrophobicContact CG-CE3 4.06Å; L222-W290 HydrophobicContact CG-CZ3 4.15Å; I223-W290 HydrophobicContact CD1-CH2 4.26Å; I223-W290 HydrophobicContact CG1-CH2 3.86Å; I223-W290 HydrophobicContact CG1-CZ3 4.2Å; M226-W290 HydrophobicContact CE-CD2 3.93Å; M226-W290 HydrophobicContact CE-CE3 3.45Å; M226-W290 VanDerWaalsContact CE-CE3 3.45Å; M226-W290 HydrophobicContact CE-CH2 3.95Å; M226-W290 HydrophobicContact CE-CZ2 4.35Å; M226-W290 HydrophobicContact CE-CZ3 3.47Å; M226-W290 VanDerWaalsContact CE-CZ3 3.47Å; M226-W290 HydrophobicContact SD-CD2 4.2Å; M226-W290 HydrophobicContact SD-CE3 3.98Å; M226-W290 HydrophobicContact SD-CG 4.49Å; V286-W290 HydrophobicContact CG1-CD2 4.03Å; V286-W290 VanDerWaalsContact CG1-CE2 3.48Å; V286-W290 HydrophobicContact CG1-CG 4.47Å; V286-W290 HydrophobicContact CG1-CH2 4.27Å; V286-W290 HydrophobicContact CG1-CZ2 3.61Å; V286-W290 PolarHBondContact O-N 2.86Å; F287-W290 AromaticContact CD1-CE3 3.85Å; F287-W290 HydrophobicContact CD1-CE3 3.85Å; F287-W290 AromaticContact CD1-CZ3 3.79Å; F287-W290 HydrophobicContact CD1-CZ3 3.79Å; F287-W290 HydrophobicContact CE1-CE3 4.34Å; F287-W290 HydrophobicContact CE1-CH2 4.45Å; F287-W290 AromaticContact CE1-CZ3 3.8Å; F287-W290 HydrophobicContact CE1-CZ3 3.8Å; F287-W290 PolarHBondContact O-N 2.6Å; W290-K292 PolarHBondContact O-N 3.31Å; W290-T293 PolarHBondContact O-N 3.23Å; W290-T293 PolarHBondContact O-OG1 2.94Å; W290-H294 WeakPolarHBondContact O-CB 3.23Å; W290-H294 PolarHBondContact O-N 3.31Å; W290-H294 PolarHBondContact O-ND1 2.74Å; W290-H294 VanDerWaalsContact O-ND1 3.11Å; W290-I296 HydrophobicContact CB-CD1 4.13Å
291	A	97.5	Very high	96.6	Very high	10 Å²	10	43.3 Å²	43.3	8%	0.083	23%	0.228	C	C	.	.	H	α-helix	trans	-66.9	-15.4	178.3	0	0	0	0	0	114.3	F287 A288 K289 I296 F298 L305	F287-A291 WeakPolarHBondContact O-CB 3.4Å; F287-A291 PolarHBondContact O-N 3.28Å; A288-A291 PolarHBondContact O-N 2.93Å; K289-A291 VanDerWaalsContact C-N 3.3Å; K289-A291 PolarHBondContact O-N 3.21Å; A291-I296 HydrophobicContact CB-CB 3.96Å; A291-I296 HydrophobicContact CB-CG2 4.33Å; A291-F298 HydrophobicContact CB-CE2 3.76Å; A291-L305 HydrophobicContact CB-CD1 3.7Å; A291-L305 HydrophobicContact CB-CD2 4.15Å
292	K	95.8	Very high	96.6	Very high	123 Å²	123	46.7 Å²	46.7	54%	0.535	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-23.5	171.7	-60.2	-178.9	-166.4	-176	0	113.1	K289 W290 S306	K289-K292 WeakPolarHBondContact O-CB 3.27Å; K289-K292 PolarHBondContact O-N 3.42Å; W290-K292 PolarHBondContact O-N 3.31Å; K292-S306 WeakPolarHBondContact CE-O 3.38Å; K292-S306 PolarHBondContact NZ-O 2.55Å
293	T	93.8	Very high	96.7	Very high	109 Å²	109	45.4 Å²	45.4	67%	0.669	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116	-14.5	-173.6	55.8	0	0	0	0	113.5	W290	W290-T293 PolarHBondContact O-N 3.23Å; W290-T293 PolarHBondContact O-OG1 2.94Å
294	H	94.6	Very high	96.4	Very high	88 Å²	88	53.1 Å²	53.1	41%	0.407	28%	0.276	S	S	.	.	S	Bend	trans	-120.8	156.2	177.9	-59.2	76	0	0	0	110	W290 I296	W290-H294 WeakPolarHBondContact O-CB 3.23Å; W290-H294 PolarHBondContact O-N 3.31Å; W290-H294 PolarHBondContact O-ND1 2.74Å; W290-H294 VanDerWaalsContact O-ND1 3.11Å; H294-I296 HydrophobicContact CB-CD1 3.84Å; H294-I296 HydrophobicContact CB-CG1 3.9Å; H294-I296 PolarHBondContact O-N 3.23Å
295	S	97.1	Very high	95.9	Very high	60 Å²	60	56 Å²	56	42%	0.42	29%	0.292	S	S	.	.			trans	-75.2	72.4	176.6	-165.4	0	0	0	0	110.9	I232	I232-S295 PolarHBondContact N-O 2.84Å
296	I	98.4	Very high	94.3	Very high	8 Å²	8	61.1 Å²	61.1	4%	0.041	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	125.2	179.9	-55	169.5	0	0	0	108.7	L222 I232 I234 W290 A291 H294 F298	L222-I296 HydrophobicContact CD1-CD1 4.18Å; L222-I296 HydrophobicContact CD2-CD1 4.46Å; I232-I296 HydrophobicContact CB-CG1 4.18Å; I232-I296 HydrophobicContact CD1-CG1 4.11Å; I232-I296 HydrophobicContact CG2-CG2 4.44Å; I232-I296 CarbonylContact O-C 3.47Å; I232-I296 VanDerWaalsContact O-CA 3.31Å; I232-I296 WeakPolarHBondContact O-CA 3.31Å; I234-I296 HydrophobicContact CD1-CG2 3.58Å; I234-I296 HydrophobicContact CG1-CG2 4.23Å; W290-I296 HydrophobicContact CB-CD1 4.13Å; A291-I296 HydrophobicContact CB-CB 3.96Å; A291-I296 HydrophobicContact CB-CG2 4.33Å; H294-I296 HydrophobicContact CB-CD1 3.84Å; H294-I296 HydrophobicContact CB-CG1 3.9Å; H294-I296 PolarHBondContact O-N 3.23Å; I296-F298 HydrophobicContact CG2-CD2 4.43Å; I296-F298 HydrophobicContact CG2-CE2 3.76Å; I296-F298 HydrophobicContact CG2-CZ 3.88Å
297	K	98.3	Very high	94.2	Very high	101 Å²	101	63.9 Å²	63.9	44%	0.439	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	140	177.9	-64.8	174.2	-175.5	160	0	110.2	E231 I232 H233 I234 F299	E231-K297 WeakPolarHBondContact OE1-CE 3.36Å; E231-K297 IonicContact OE1-NZ 2.74Å; E231-K297 PolarHBondContact OE1-NZ 3.4Å; I232-K297 PolarHBondContact O-N 3.2Å; H233-K297 CarbonylContact C-O 3.46Å; H233-K297 WeakPolarHBondContact CA-O 3.49Å; I234-K297 PolarHBondContact N-O 3.17Å; K297-F299 HydrophobicContact CB-CE2 3.61Å; K297-F299 HydrophobicContact CB-CZ 3.94Å; K297-F299 HydrophobicContact CD-CZ 4.45Å
298	F	98.6	Very high	94	Very high	10 Å²	10	67 Å²	67	4%	0.044	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	140.1	-179.8	-62.9	-94.7	0	0	0	111.1	I234 M237 F287 A291 I296 T302 W303	I234-F298 HydrophobicContact CB-CD1 3.76Å; I234-F298 HydrophobicContact CB-CE1 4.01Å; I234-F298 HydrophobicContact CD1-CD1 4.12Å; I234-F298 HydrophobicContact CD1-CE1 3.47Å; I234-F298 VanDerWaalsContact CD1-CE1 3.47Å; I234-F298 HydrophobicContact CD1-CZ 3.81Å; I234-F298 HydrophobicContact CG1-CD1 4.46Å; I234-F298 HydrophobicContact CG1-CE1 4.28Å; I234-F298 HydrophobicContact CG2-CD1 3.96Å; I234-F298 HydrophobicContact CG2-CE1 4.1Å; I234-F298 CarbonylContact O-C 3.56Å; I234-F298 WeakPolarHBondContact O-CA 3.41Å; M237-F298 HydrophobicContact CB-CD1 4.34Å; M237-F298 HydrophobicContact SD-CE1 3.98Å; F287-F298 HydrophobicContact CB-CZ 4.26Å; A291-F298 HydrophobicContact CB-CE2 3.76Å; I296-F298 HydrophobicContact CG2-CD2 4.43Å; I296-F298 HydrophobicContact CG2-CE2 3.76Å; I296-F298 HydrophobicContact CG2-CZ 3.88Å; F298-T302 WeakPolarHBondContact O-CA 3.5Å; F298-W303 HydrophobicContact CB-CB 4.01Å; F298-W303 VanDerWaalsContact CB-CD1 3.41Å; F298-W303 HydrophobicContact CB-CD2 4.1Å; F298-W303 HydrophobicContact CB-CG 3.58Å; F298-W303 AromaticContact CD1-CD2 3.74Å; F298-W303 HydrophobicContact CD1-CD2 3.74Å; F298-W303 AromaticContact CD1-CE2 3.41Å; F298-W303 VanDerWaalsContact CD1-CE2 3.41Å; F298-W303 HydrophobicContact CD1-CE3 4.27Å; F298-W303 HydrophobicContact CD1-CG 4.16Å; F298-W303 HydrophobicContact CD1-CH2 4.21Å; F298-W303 AromaticContact CD1-CZ2 3.65Å; F298-W303 HydrophobicContact CD1-CZ2 3.65Å; F298-W303 HydrophobicContact CD1-CZ3 4.49Å; F298-W303 AromaticContact CD1-NE1 3.67Å; F298-W303 HydrophobicContact CD2-CB 3.98Å; F298-W303 AromaticContact CD2-CD2 3.64Å; F298-W303 HydrophobicContact CD2-CD2 3.64Å; F298-W303 AromaticContact CD2-CE3 3.82Å; F298-W303 HydrophobicContact CD2-CE3 3.82Å; F298-W303 AromaticContact CD2-CG 3.75Å; F298-W303 HydrophobicContact CD2-CG 3.75Å; F298-W303 AromaticContact CE1-CD2 3.99Å; F298-W303 HydrophobicContact CE1-CD2 3.99Å; F298-W303 AromaticContact CE1-CE2 3.7Å; F298-W303 HydrophobicContact CE1-CE3 4.07Å; F298-W303 AromaticContact CE1-CH2 3.61Å; F298-W303 HydrophobicContact CE1-CH2 3.61Å; F298-W303 AromaticContact CE1-CZ2 3.48Å; F298-W303 HydrophobicContact CE1-CZ2 3.48Å; F298-W303 VanDerWaalsContact CE1-CZ2 3.48Å; F298-W303 AromaticContact CE1-CZ3 3.9Å; F298-W303 HydrophobicContact CE1-CZ3 3.9Å; F298-W303 AromaticContact CE2-CD2 3.9Å; F298-W303 HydrophobicContact CE2-CD2 3.9Å; F298-W303 AromaticContact CE2-CE3 3.6Å; F298-W303 HydrophobicContact CE2-CE3 3.6Å; F298-W303 HydrophobicContact CE2-CG 4.46Å; F298-W303 HydrophobicContact CE2-CH2 4.49Å; F298-W303 AromaticContact CE2-CZ3 3.94Å; F298-W303 HydrophobicContact CE2-CZ3 3.94Å; F298-W303 HydrophobicContact CG-CB 4.16Å; F298-W303 AromaticContact CG-CD1 3.74Å; F298-W303 AromaticContact CG-CD2 3.55Å; F298-W303 HydrophobicContact CG-CD2 3.55Å; F298-W303 AromaticContact CG-CE2 3.69Å; F298-W303 HydrophobicContact CG-CE3 4.15Å; F298-W303 AromaticContact CG-CG 3.57Å; F298-W303 HydrophobicContact CG-CG 3.57Å; F298-W303 HydrophobicContact CG-CZ2 4.35Å; F298-W303 AromaticContact CG-NE1 3.78Å; F298-W303 HydrophobicContact CZ-CD2 4.07Å; F298-W303 AromaticContact CZ-CE3 3.74Å; F298-W303 HydrophobicContact CZ-CE3 3.74Å; F298-W303 AromaticContact CZ-CH2 3.78Å; F298-W303 HydrophobicContact CZ-CH2 3.78Å; F298-W303 HydrophobicContact CZ-CZ2 4.08Å; F298-W303 AromaticContact CZ-CZ3 3.6Å; F298-W303 HydrophobicContact CZ-CZ3 3.6Å
299	F	98.2	Very high	93.8	Very high	47 Å²	47	69.8 Å²	69.8	21%	0.206	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	145.1	-177.8	-58.9	-89.7	0	0	0	109.8	H233 I234 Y235 G236 K297 P301	H233-F299 HydrophobicContact CB-CD2 4.11Å; H233-F299 HydrophobicContact CB-CE2 3.71Å; H233-F299 AromaticContact CD2-CE2 3.93Å; H233-F299 AromaticContact CG-CE2 3.55Å; H233-F299 AromaticContact ND1-CE2 3.87Å; I234-F299 PolarHBondContact O-N 3.05Å; Y235-F299 WeakPolarHBondContact CA-O 3.43Å; Y235-F299 HydrophobicContact CD1-CB 3.58Å; Y235-F299 HydrophobicContact CD1-CD2 4.48Å; Y235-F299 HydrophobicContact CD1-CG 4.23Å; Y235-F299 HydrophobicContact CE1-CB 3.71Å; Y235-F299 HydrophobicContact CE1-CD2 4.09Å; Y235-F299 AromaticContact CE1-CG 3.88Å; Y235-F299 HydrophobicContact CE1-CG 3.88Å; Y235-F299 HydrophobicContact CE2-CD2 4.33Å; Y235-F299 HydrophobicContact CG-CB 4.24Å; Y235-F299 AromaticContact CZ-CD2 4Å; G236-F299 PolarHBondContact N-O 3.37Å; K297-F299 HydrophobicContact CB-CE2 3.61Å; K297-F299 HydrophobicContact CB-CZ 3.94Å; K297-F299 HydrophobicContact CD-CZ 4.45Å; F299-P301 CarbonylContact C-O 3.55Å; F299-P301 VanDerWaalsContact C-O 3.28Å
300	N	96.3	Very high	93.6	Very high	39 Å²	39	67.2 Å²	67.2	21%	0.209	36%	0.364	C	S	.	.	S	Bend	trans	51.8	60.7	174.1	-50.6	-27.1	0	0	0	113.1	Q92 A94 G236	Q92-N300 HydrophobicContact CB-CB 4.48Å; Q92-N300 HydrophobicContact CG-CB 3.95Å; A94-N300 WeakPolarHBondContact CB-ND2 3.1Å; G236-N300 WeakPolarHBondContact CA-O 3.38Å; G236-N300 PolarHBondContact N-O 3.37Å
301	P	96	Very high	93.4	Very high	32 Å²	32	70.6 Å²	70.6	21%	0.208	38%	0.384	C	S	.	.	S	Bend	cis	-94.2	162.4	8.1	35.3	-36.1	0	0	0	114.8	I238 Y242 F299	I238-P301 HydrophobicContact CG2-CG 4.17Å; Y242-P301 HydrophobicContact CD2-CG 4.39Å; Y242-P301 HydrophobicContact CE2-CG 4.2Å; F299-P301 CarbonylContact C-O 3.55Å; F299-P301 VanDerWaalsContact C-O 3.28Å
302	T	96.3	Very high	93.1	Very high	95 Å²	95	74.7 Å²	74.7	58%	0.583	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-74.2	137	169.7	-59.5	0	0	0	0	110.9	F298	F298-T302 WeakPolarHBondContact O-CA 3.5Å
303	W	96.1	Very high	92.9	Very high	15 Å²	15	71.2 Å²	71.2	6%	0.057	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-91.6	131	176.3	-69.2	22.5	0	0	0	110.5	M237 I238 N239 K284 F287 A288 F298 L305	M237-W303 HydrophobicContact CB-CZ2 4.32Å; M237-W303 HydrophobicContact CG-CZ2 3.88Å; M237-W303 PolarHBondContact O-NE1 3.39Å; M237-W303 HydrophobicContact SD-CH2 4.29Å; M237-W303 HydrophobicContact SD-CZ2 4.02Å; I238-W303 VanDerWaalsContact C-CZ2 3.47Å; I238-W303 WeakPolarHBondContact O-CZ2 3.48Å; N239-W303 HydrophobicContact CB-CD2 3.59Å; N239-W303 HydrophobicContact CB-CE3 3.92Å; N239-W303 HydrophobicContact CB-CG 3.97Å; N239-W303 HydrophobicContact CB-CH2 4.35Å; N239-W303 HydrophobicContact CB-CZ2 4.07Å; N239-W303 HydrophobicContact CB-CZ3 4.28Å; K284-W303 HydrophobicContact CB-CH2 4.05Å; K284-W303 HydrophobicContact CG-CH2 4.17Å; F287-W303 HydrophobicContact CB-CH2 4.11Å; F287-W303 HydrophobicContact CB-CZ3 4.13Å; A288-W303 HydrophobicContact CB-CE3 4.1Å; A288-W303 HydrophobicContact CB-CZ3 3.88Å; F298-W303 HydrophobicContact CB-CB 4.01Å; F298-W303 VanDerWaalsContact CB-CD1 3.41Å; F298-W303 HydrophobicContact CB-CD2 4.1Å; F298-W303 HydrophobicContact CB-CG 3.58Å; F298-W303 AromaticContact CD1-CD2 3.74Å; F298-W303 HydrophobicContact CD1-CD2 3.74Å; F298-W303 AromaticContact CD1-CE2 3.41Å; F298-W303 VanDerWaalsContact CD1-CE2 3.41Å; F298-W303 HydrophobicContact CD1-CE3 4.27Å; F298-W303 HydrophobicContact CD1-CG 4.16Å; F298-W303 HydrophobicContact CD1-CH2 4.21Å; F298-W303 AromaticContact CD1-CZ2 3.65Å; F298-W303 HydrophobicContact CD1-CZ2 3.65Å; F298-W303 HydrophobicContact CD1-CZ3 4.49Å; F298-W303 AromaticContact CD1-NE1 3.67Å; F298-W303 HydrophobicContact CD2-CB 3.98Å; F298-W303 AromaticContact CD2-CD2 3.64Å; F298-W303 HydrophobicContact CD2-CD2 3.64Å; F298-W303 AromaticContact CD2-CE3 3.82Å; F298-W303 HydrophobicContact CD2-CE3 3.82Å; F298-W303 AromaticContact CD2-CG 3.75Å; F298-W303 HydrophobicContact CD2-CG 3.75Å; F298-W303 AromaticContact CE1-CD2 3.99Å; F298-W303 HydrophobicContact CE1-CD2 3.99Å; F298-W303 AromaticContact CE1-CE2 3.7Å; F298-W303 HydrophobicContact CE1-CE3 4.07Å; F298-W303 AromaticContact CE1-CH2 3.61Å; F298-W303 HydrophobicContact CE1-CH2 3.61Å; F298-W303 AromaticContact CE1-CZ2 3.48Å; F298-W303 HydrophobicContact CE1-CZ2 3.48Å; F298-W303 VanDerWaalsContact CE1-CZ2 3.48Å; F298-W303 AromaticContact CE1-CZ3 3.9Å; F298-W303 HydrophobicContact CE1-CZ3 3.9Å; F298-W303 AromaticContact CE2-CD2 3.9Å; F298-W303 HydrophobicContact CE2-CD2 3.9Å; F298-W303 AromaticContact CE2-CE3 3.6Å; F298-W303 HydrophobicContact CE2-CE3 3.6Å; F298-W303 HydrophobicContact CE2-CG 4.46Å; F298-W303 HydrophobicContact CE2-CH2 4.49Å; F298-W303 AromaticContact CE2-CZ3 3.94Å; F298-W303 HydrophobicContact CE2-CZ3 3.94Å; F298-W303 HydrophobicContact CG-CB 4.16Å; F298-W303 AromaticContact CG-CD1 3.74Å; F298-W303 AromaticContact CG-CD2 3.55Å; F298-W303 HydrophobicContact CG-CD2 3.55Å; F298-W303 AromaticContact CG-CE2 3.69Å; F298-W303 HydrophobicContact CG-CE3 4.15Å; F298-W303 AromaticContact CG-CG 3.57Å; F298-W303 HydrophobicContact CG-CG 3.57Å; F298-W303 HydrophobicContact CG-CZ2 4.35Å; F298-W303 AromaticContact CG-NE1 3.78Å; F298-W303 HydrophobicContact CZ-CD2 4.07Å; F298-W303 AromaticContact CZ-CE3 3.74Å; F298-W303 HydrophobicContact CZ-CE3 3.74Å; F298-W303 AromaticContact CZ-CH2 3.78Å; F298-W303 HydrophobicContact CZ-CH2 3.78Å; F298-W303 HydrophobicContact CZ-CZ2 4.08Å; F298-W303 AromaticContact CZ-CZ3 3.6Å; F298-W303 HydrophobicContact CZ-CZ3 3.6Å; W303-L305 HydrophobicContact CB-CD2 4.31Å; W303-L305 HydrophobicContact CE3-CD2 4.39Å
304	Q	88.9	Confident	92.9	Very high	165 Å²	165	68.3 Å²	68.3	77%	0.771	37%	0.373	S	S	*	.			trans	-86	112.7	166.1	-61.8	-61.4	-23.8	0	0	108.3
305	L	86.6	Confident	92.7	Very high	71 Å²	71	66.7 Å²	66.7	37%	0.372	37%	0.371	S	S	.	.			trans	-91.5	104.5	178.5	-57	177	0	0	0	108	A288 A291 W303	A288-L305 HydrophobicContact CB-CD2 4.29Å; A291-L305 HydrophobicContact CB-CD1 3.7Å; A291-L305 HydrophobicContact CB-CD2 4.15Å; W303-L305 HydrophobicContact CB-CD2 4.31Å; W303-L305 HydrophobicContact CE3-CD2 4.39Å
306	S	62.1	Low	92.3	Very high	157 Å²	157	67.3 Å²	67.3	100%	1.098	37%	0.366	S	S	*	.			trans	-77.1	0	174.3	62	0	0	0	0	112.2	K292	K292-S306 WeakPolarHBondContact CE-O 3.38Å; K292-S306 PolarHBondContact NZ-O 2.55Å

Retrieved 306 of 306 residues in 314.6 ms (Link to these results)

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