A0A3Q0KIP2_SCHMA Loading...

Cathepsin B (C01 family)

AlphaFold DB , UniProt , Accession A0A3Q0KIP2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 334 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	53.6	Low	47	Very low	228 Å²	228	137.7 Å²	137.7	100%	1.123	67%	0.67	S	S	*	*				0	46	0	-158	172.5	-177.7	0	0	111.3
2	F	49.6	Very low	46.1	Very low	178 Å²	178	135.8 Å²	135.8	78%	0.781	66%	0.664	S	S	*	*			trans	-133	-17.6	-178.8	-99	-88.7	0	0	0	113
3	Y	47.7	Very low	45.3	Very low	215 Å²	215	134 Å²	134	84%	0.843	66%	0.659	S	S	*	*	H	α-helix	trans	-81.1	-14.9	177.8	-90.4	-89	0	0	0	114.6
4	F	49	Very low	44.5	Very low	172 Å²	172	132.9 Å²	132.9	75%	0.754	66%	0.655	S	S	*	*	H	α-helix	trans	-84.1	-17.6	-178.3	-121.4	-93	0	0	0	113.8
5	I	53.4	Low	44.1	Very low	121 Å²	121	132 Å²	132	62%	0.621	66%	0.66	S	S	*	*	H	α-helix	trans	-86.7	-26.9	-175.9	-61	174.4	0	0	0	111.4	S9	I5-S9 PolarHBondContact O-N 2.95Å
6	L	47.4	Very low	43.5	Very low	119 Å²	119	136.6 Å²	136.6	62%	0.623	67%	0.669	S	S	*	*	H	α-helix	trans	-75.9	-27.2	177.4	-113.5	93.9	0	0	0	113.9	S9 L10	L6-S9 PolarHBondContact O-OG 3.02Å; L6-L10 PolarHBondContact O-N 3.18Å
7	L	44.3	Very low	42.7	Very low	114 Å²	114	136.8 Å²	136.8	60%	0.597	67%	0.674	S	S	*	*	H	α-helix	trans	-75.9	-30.9	178	-100.1	141	0	0	0	112.4	L11	L7-L11 WeakPolarHBondContact O-CB 3.38Å; L7-L11 WeakPolarHBondContact O-CD1 3.38Å; L7-L11 VanDerWaalsContact O-CG 3.29Å; L7-L11 WeakPolarHBondContact O-CG 3.34Å; L7-L11 PolarHBondContact O-N 3.25Å
8	L	43.9	Very low	42.1	Very low	103 Å²	103	139 Å²	139	54%	0.539	68%	0.675	S	S	.	*	H	α-helix	trans	-72.1	-34.3	174.5	-96.3	136.5	0	0	0	112.4	L12	L8-L12 WeakPolarHBondContact O-CB 3.25Å; L8-L12 WeakPolarHBondContact O-CD1 3.4Å; L8-L12 WeakPolarHBondContact O-CG 3.42Å; L8-L12 PolarHBondContact O-N 3.1Å
9	S	46.9	Very low	41.8	Very low	55 Å²	55	141.3 Å²	141.3	39%	0.385	68%	0.684	S	S	.	*	H	α-helix	trans	-73.7	-30	174.7	64.8	0	0	0	0	112.8	I5 L6 N13	I5-S9 PolarHBondContact O-N 2.95Å; L6-S9 PolarHBondContact O-OG 3.02Å; S9-N13 PolarHBondContact O-N 2.98Å; S9-N13 PolarHBondContact O-ND2 3.01Å
10	L	41.4	Very low	41.6	Very low	105 Å²	105	138.3 Å²	138.3	55%	0.55	67%	0.671	S	S	.	*	H	α-helix	trans	-75.3	-34.8	172.4	-97	133.4	0	0	0	112.8	L6 N13 I14	L6-L10 PolarHBondContact O-N 3.18Å; L10-N13 PolarHBondContact O-N 3.41Å; L10-I14 WeakPolarHBondContact O-CD1 3.18Å; L10-I14 VanDerWaalsContact O-CG1 3.32Å; L10-I14 WeakPolarHBondContact O-CG1 3.49Å; L10-I14 PolarHBondContact O-N 3.48Å
11	L	39.4	Very low	42.1	Very low	105 Å²	105	135.7 Å²	135.7	55%	0.55	66%	0.661	S	S	.	*	H	α-helix	trans	-74.7	-32.2	175.4	-73	165.6	0	0	0	112.9	L7 N13 I14	L7-L11 WeakPolarHBondContact O-CB 3.38Å; L7-L11 WeakPolarHBondContact O-CD1 3.38Å; L7-L11 VanDerWaalsContact O-CG 3.29Å; L7-L11 WeakPolarHBondContact O-CG 3.34Å; L7-L11 PolarHBondContact O-N 3.25Å; L11-N13 VanDerWaalsContact C-N 3.32Å; L11-I14 PolarHBondContact O-N 3.46Å
12	L	37.1	Very low	42.1	Very low	115 Å²	115	125.5 Å²	125.5	60%	0.602	61%	0.611	S	S	*	*	H	α-helix	trans	-68.9	-29.4	172.7	-81.5	159.7	0	0	0	112.6	L8	L8-L12 WeakPolarHBondContact O-CB 3.25Å; L8-L12 WeakPolarHBondContact O-CD1 3.4Å; L8-L12 WeakPolarHBondContact O-CG 3.42Å; L8-L12 PolarHBondContact O-N 3.1Å
13	N	34.5	Very low	42.6	Very low	112 Å²	112	118 Å²	118	60%	0.599	58%	0.579	S	S	*	*	H	α-helix	trans	-80	-20.2	176.2	-80.5	-52.4	0	0	0	113.9	S9 L10 L11	S9-N13 PolarHBondContact O-N 2.98Å; S9-N13 PolarHBondContact O-ND2 3.01Å; L10-N13 PolarHBondContact O-N 3.41Å; L11-N13 VanDerWaalsContact C-N 3.32Å
14	I	35.4	Very low	43	Very low	118 Å²	118	115.3 Å²	115.3	61%	0.605	57%	0.572	S	S	*	*	H	α-helix	trans	-80	-21.4	174.7	-66.9	165	0	0	0	111.5	L10 L11	L10-I14 WeakPolarHBondContact O-CD1 3.18Å; L10-I14 VanDerWaalsContact O-CG1 3.32Å; L10-I14 WeakPolarHBondContact O-CG1 3.49Å; L10-I14 PolarHBondContact O-N 3.48Å; L11-I14 PolarHBondContact O-N 3.46Å
15	V	37.8	Very low	43.2	Very low	120 Å²	120	112 Å²	112	73%	0.727	56%	0.562	S	S	*	*	H	α-helix	trans	-87.5	-13.8	177.4	-179.7	0	0	0	0	112.7
16	Y	34.4	Very low	43.2	Very low	205 Å²	205	114.1 Å²	114.1	80%	0.804	57%	0.569	S	S	*	*	S	Bend	trans	-97.6	2	-174	-121.7	-92.6	0	0	0	115.8
17	N	30.4	Very low	43.9	Very low	140 Å²	140	115.1 Å²	115.1	75%	0.749	57%	0.57	S	S	*	*			trans	-128.6	28.1	-168.4	-117.7	-21	0	0	0	116.1	E19	N17-E19 PolarHBondContact O-N 3.29Å
18	Y	32.1	Very low	45.3	Very low	177 Å²	177	110.1 Å²	110.1	69%	0.694	54%	0.544	S	S	*	.			trans	-92.7	80.2	159.5	-88.6	-64.8	0	0	0	110	L20	Y18-L20 HydrophobicContact CD1-CD1 3.29Å; Y18-L20 HydrophobicContact CD1-CD2 4.27Å; Y18-L20 HydrophobicContact CD1-CG 3.42Å; Y18-L20 VanDerWaalsContact CD1-CG 3.42Å; Y18-L20 HydrophobicContact CD2-CD1 4.5Å; Y18-L20 HydrophobicContact CE1-CD1 3.74Å; Y18-L20 HydrophobicContact CE1-CD2 4.45Å; Y18-L20 HydrophobicContact CE1-CG 4.02Å; Y18-L20 HydrophobicContact CG-CD1 3.67Å; Y18-L20 HydrophobicContact CG-CG 4.11Å; Y18-L20 PolarHBondContact O-N 2.98Å
19	E	36	Very low	46.9	Very low	182 Å²	182	109.7 Å²	109.7	85%	0.85	54%	0.539	S	S	*	.			trans	-67.8	63.9	145.9	-80.5	-167.1	156	0	0	108.5	N17 N21	N17-E19 PolarHBondContact O-N 3.29Å; E19-N21 PolarHBondContact O-N 2.75Å; E19-N21 VanDerWaalsContact O-N 3.12Å
20	L	37.4	Very low	48.6	Very low	82 Å²	82	110 Å²	110	43%	0.429	54%	0.54	S	S	.	.			trans	-71.2	104.9	163.9	-88.7	156.8	0	0	0	105.9	Y18 P22	Y18-L20 HydrophobicContact CD1-CD1 3.29Å; Y18-L20 HydrophobicContact CD1-CD2 4.27Å; Y18-L20 HydrophobicContact CD1-CG 3.42Å; Y18-L20 VanDerWaalsContact CD1-CG 3.42Å; Y18-L20 HydrophobicContact CD2-CD1 4.5Å; Y18-L20 HydrophobicContact CE1-CD1 3.74Å; Y18-L20 HydrophobicContact CE1-CD2 4.45Å; Y18-L20 HydrophobicContact CE1-CG 4.02Å; Y18-L20 HydrophobicContact CG-CD1 3.67Å; Y18-L20 HydrophobicContact CG-CG 4.11Å; Y18-L20 PolarHBondContact O-N 2.98Å; L20-P22 WeakPolarHBondContact O-CD 3.24Å
21	N	52.9	Low	50.6	Low	84 Å²	84	107.6 Å²	107.6	45%	0.449	53%	0.528	S	S	.	.			trans	-49.3	107	166	-177.1	-14.8	0	0	0	106.9	E19 L23 K24	E19-N21 PolarHBondContact O-N 2.75Å; E19-N21 VanDerWaalsContact O-N 3.12Å; N21-L23 PolarHBondContact O-N 3.03Å; N21-L23 WeakPolarHBondContact OD1-CB 3.09Å; N21-L23 PolarHBondContact OD1-N 2.88Å; N21-K24 HydrophobicContact CB-CD 4.35Å; N21-K24 HydrophobicContact CB-CG 4.17Å; N21-K24 WeakPolarHBondContact O-CB 3.47Å; N21-K24 PolarHBondContact O-N 3.11Å
22	P	53.9	Low	53	Low	13 Å²	13	102.6 Å²	102.6	8%	0.084	50%	0.502	C	S	.	.	G	3₁₀ helix	trans	-62.8	-20	-168.4	22.7	-31.8	0	0	0	111.4	L20 K24 L31 V258	L20-P22 WeakPolarHBondContact O-CD 3.24Å; P22-K24 VanDerWaalsContact C-N 3.26Å; P22-K24 PolarHBondContact O-N 2.81Å; P22-L31 HydrophobicContact CB-CD2 4.19Å; P22-V258 HydrophobicContact CB-CG2 3.53Å; P22-V258 HydrophobicContact CG-CG2 3.28Å
23	L	58.6	Low	55.6	Low	20 Å²	20	103.4 Å²	103.4	11%	0.105	50%	0.502	C	S	.	.	G	3₁₀ helix	trans	-76.3	-6.4	175.8	-56.4	173.2	0	0	0	113.3	N21 L58 T61 K62 L277	N21-L23 PolarHBondContact O-N 3.03Å; N21-L23 WeakPolarHBondContact OD1-CB 3.09Å; N21-L23 PolarHBondContact OD1-N 2.88Å; L23-L58 HydrophobicContact CB-CD1 4.13Å; L23-L58 HydrophobicContact CD2-CD1 3.37Å; L23-L58 HydrophobicContact CG-CD1 4.36Å; L23-T61 HydrophobicContact CD2-CG2 4.25Å; L23-K62 HydrophobicContact CB-CD 4.42Å; L23-K62 HydrophobicContact CB-CG 3.93Å; L23-K62 HydrophobicContact CD1-CG 3.88Å; L23-K62 HydrophobicContact CD2-CG 4.16Å; L23-K62 HydrophobicContact CG-CG 4.22Å; L23-K62 WeakPolarHBondContact O-CE 3.27Å; L23-K62 PolarHBondContact O-NZ 3.03Å; L23-L277 HydrophobicContact CD1-CD1 3.67Å; L23-L277 HydrophobicContact CD2-CD1 3.97Å; L23-L277 HydrophobicContact CG-CD1 3.82Å
24	K	55.9	Low	58.3	Low	159 Å²	159	105.5 Å²	105.5	69%	0.691	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-76.9	-21.1	174.5	-78.9	-174	174.9	-176.3	0	113.6	N21 P22	N21-K24 HydrophobicContact CB-CD 4.35Å; N21-K24 HydrophobicContact CB-CG 4.17Å; N21-K24 WeakPolarHBondContact O-CB 3.47Å; N21-K24 PolarHBondContact O-N 3.11Å; P22-K24 VanDerWaalsContact C-N 3.26Å; P22-K24 PolarHBondContact O-N 2.81Å
25	N	53.2	Low	61	Low	102 Å²	102	100.4 Å²	100.4	55%	0.545	48%	0.48	S	S	.	.	S	Bend	trans	-79.7	125.9	176.5	-79.1	-19.8	0	0	0	110.5	H27 L58	N25-H27 PolarHBondContact O-N 3.05Å; N25-H27 VanDerWaalsContact O-N 3.12Å; N25-L58 WeakPolarHBondContact O-CD2 3.17Å
26	E	55.1	Low	63.8	Low	166 Å²	166	95.9 Å²	95.9	78%	0.776	45%	0.452	S	S	*	.	S	Bend	trans	-63.5	-17.4	-174.6	-71.1	-176.6	155.9	0	0	114.4
27	H	61.7	Low	66.7	Low	140 Å²	140	92.3 Å²	92.3	65%	0.648	44%	0.44	S	S	*	.			trans	-119.2	102.4	179.6	-56.7	-62.7	0	0	0	111.4	N25 P30	N25-H27 PolarHBondContact O-N 3.05Å; N25-H27 VanDerWaalsContact O-N 3.12Å; H27-P30 HydrophobicContact CB-CG 4.09Å
28	I	73.9	Confident	69.8	Low	9 Å²	9	87.8 Å²	87.8	5%	0.046	41%	0.413	C	S	.	.	S	Bend	trans	-77.5	-26.4	176.9	-158.7	170.5	0	0	0	112.4	L31 F32 R56 L58 T61	I28-L31 WeakPolarHBondContact O-CB 3.35Å; I28-L31 PolarHBondContact O-N 2.98Å; I28-L31 VanDerWaalsContact O-N 3.17Å; I28-F32 HydrophobicContact CD1-CE1 3.63Å; I28-F32 HydrophobicContact CD1-CE2 4.06Å; I28-F32 HydrophobicContact CD1-CZ 3.35Å; I28-F32 HydrophobicContact CG1-CD1 4Å; I28-F32 HydrophobicContact CG1-CE1 3.57Å; I28-F32 HydrophobicContact CG1-CE2 4.13Å; I28-F32 HydrophobicContact CG1-CG 4.47Å; I28-F32 HydrophobicContact CG1-CZ 3.65Å; I28-F32 HydrophobicContact CG2-CE2 4.44Å; I28-F32 PolarHBondContact O-N 3.08Å; I28-R56 WeakPolarHBondContact CG2-O 3.31Å; I28-L58 HydrophobicContact CB-CB 4.28Å; I28-L58 HydrophobicContact CB-CD1 4.27Å; I28-L58 HydrophobicContact CD1-CD1 3.87Å; I28-L58 HydrophobicContact CG1-CD1 4.42Å; I28-L58 HydrophobicContact CG2-CB 4.31Å; I28-T61 HydrophobicContact CD1-CG2 4.42Å
29	E	76.2	Confident	72.9	Confident	94 Å²	94	79.3 Å²	79.3	44%	0.439	38%	0.38	S	S	.	.	H	α-helix	trans	-62.5	-48.4	-176.2	-66.3	-174	155.1	0	0	113.3	L31 F32 E33	E29-L31 PolarHBondContact O-N 2.95Å; E29-F32 PolarHBondContact O-N 3.44Å; E29-E33 PolarHBondContact O-N 2.88Å
30	P	82.7	Confident	75.8	Confident	62 Å²	62	74.2 Å²	74.2	40%	0.403	36%	0.358	S	S	.	.	H	α-helix	trans	-60.9	-29.4	175.5	-24.1	34.7	0	0	0	113.4	H27 K34	H27-P30 HydrophobicContact CB-CG 4.09Å; P30-K34 VanDerWaalsContact O-CG 3.31Å; P30-K34 WeakPolarHBondContact O-CG 3.3Å; P30-K34 PolarHBondContact O-N 3.08Å
31	L	83.5	Confident	78.6	Confident	54 Å²	54	76.3 Å²	76.3	28%	0.283	37%	0.366	S	S	.	.	H	α-helix	trans	-70.1	-45	174.3	176.8	62.6	0	0	0	110.7	P22 I28 E29 K34 L35 V258	P22-L31 HydrophobicContact CB-CD2 4.19Å; I28-L31 WeakPolarHBondContact O-CB 3.35Å; I28-L31 PolarHBondContact O-N 2.98Å; I28-L31 VanDerWaalsContact O-N 3.17Å; E29-L31 PolarHBondContact O-N 2.95Å; L31-K34 PolarHBondContact O-N 2.84Å; L31-L35 HydrophobicContact CD1-CD1 4.2Å; L31-L35 HydrophobicContact CD1-CG 4.36Å; L31-L35 HydrophobicContact CG-CD1 4.08Å; L31-L35 WeakPolarHBondContact O-CG 3.27Å; L31-L35 PolarHBondContact O-N 3.16Å; L31-V258 HydrophobicContact CD2-CG1 3.95Å; L31-V258 HydrophobicContact CG-CG1 4.44Å
32	F	90.6	Very high	80.7	Confident	1 Å²	1	75.5 Å²	75.5	0%	0.004	36%	0.361	C	S	.	.	H	α-helix	trans	-63.1	-43.8	176.7	-75.3	-2.8	0	0	0	112.5	I28 E29 K34 L35 I36 I51 F55 V258 L261 V262	I28-F32 HydrophobicContact CD1-CE1 3.63Å; I28-F32 HydrophobicContact CD1-CE2 4.06Å; I28-F32 HydrophobicContact CD1-CZ 3.35Å; I28-F32 HydrophobicContact CG1-CD1 4Å; I28-F32 HydrophobicContact CG1-CE1 3.57Å; I28-F32 HydrophobicContact CG1-CE2 4.13Å; I28-F32 HydrophobicContact CG1-CG 4.47Å; I28-F32 HydrophobicContact CG1-CZ 3.65Å; I28-F32 HydrophobicContact CG2-CE2 4.44Å; I28-F32 PolarHBondContact O-N 3.08Å; E29-F32 PolarHBondContact O-N 3.44Å; F32-K34 VanDerWaalsContact C-N 3.32Å; F32-K34 PolarHBondContact O-N 3.07Å; F32-L35 PolarHBondContact O-N 3.47Å; F32-I36 HydrophobicContact CB-CD1 4.38Å; F32-I36 VanDerWaalsContact O-CB 3.29Å; F32-I36 WeakPolarHBondContact O-CB 3.27Å; F32-I36 WeakPolarHBondContact O-CD1 3.1Å; F32-I36 WeakPolarHBondContact O-CG1 3.17Å; F32-I36 PolarHBondContact O-N 3.09Å; F32-I51 HydrophobicContact CB-CD1 3.95Å; F32-I51 HydrophobicContact CD2-CD1 4.26Å; F32-F55 HydrophobicContact CE2-CB 3.67Å; F32-F55 VanDerWaalsContact CE2-O 3.31Å; F32-F55 WeakPolarHBondContact CE2-O 3.13Å; F32-F55 HydrophobicContact CZ-CB 3.84Å; F32-V258 HydrophobicContact CD1-CG1 4.34Å; F32-V258 HydrophobicContact CE1-CG1 3.86Å; F32-L261 HydrophobicContact CE1-CB 4.27Å; F32-L261 HydrophobicContact CE1-CD1 4.09Å; F32-L261 HydrophobicContact CZ-CB 3.95Å; F32-L261 HydrophobicContact CZ-CD1 3.8Å; F32-V262 HydrophobicContact CB-CG1 4.03Å; F32-V262 HydrophobicContact CD1-CG1 3.76Å; F32-V262 HydrophobicContact CD2-CG1 3.97Å; F32-V262 HydrophobicContact CE1-CG1 4.14Å; F32-V262 HydrophobicContact CE2-CG1 4.33Å; F32-V262 HydrophobicContact CG-CG1 3.66Å; F32-V262 HydrophobicContact CZ-CG1 4.41Å
33	E	91.3	Very high	82.4	Confident	132 Å²	132	80.2 Å²	80.2	62%	0.617	39%	0.392	S	S	*	.	H	α-helix	trans	-58.2	-44.7	176.7	-71.3	-179.7	172	0	0	112	E29 I36 K37	E29-E33 PolarHBondContact O-N 2.88Å; E33-I36 PolarHBondContact O-N 2.87Å; E33-K37 VanDerWaalsContact O-CB 3.32Å; E33-K37 WeakPolarHBondContact O-CB 3.19Å; E33-K37 PolarHBondContact O-N 3.41Å
34	K	91.6	Very high	84	Confident	155 Å²	155	83.1 Å²	83.1	67%	0.674	43%	0.426	S	S	*	.	H	α-helix	trans	-63	-44.2	176.2	-73.5	176.1	-176.5	178.2	0	112	P30 L31 F32 Y38	P30-K34 VanDerWaalsContact O-CG 3.31Å; P30-K34 WeakPolarHBondContact O-CG 3.3Å; P30-K34 PolarHBondContact O-N 3.08Å; L31-K34 PolarHBondContact O-N 2.84Å; F32-K34 VanDerWaalsContact C-N 3.32Å; F32-K34 PolarHBondContact O-N 3.07Å; K34-Y38 VanDerWaalsContact O-CB 3.27Å; K34-Y38 WeakPolarHBondContact O-CB 3.41Å; K34-Y38 PolarHBondContact O-N 2.88Å
35	L	92.3	Very high	85.8	Confident	11 Å²	11	77.6 Å²	77.6	6%	0.058	40%	0.403	C	S	.	.	H	α-helix	trans	-66	-44.7	177.9	-74.8	172.7	0	0	0	111.8	L31 F32 K37 Y38 V39 V258	L31-L35 HydrophobicContact CD1-CD1 4.2Å; L31-L35 HydrophobicContact CD1-CG 4.36Å; L31-L35 HydrophobicContact CG-CD1 4.08Å; L31-L35 WeakPolarHBondContact O-CG 3.27Å; L31-L35 PolarHBondContact O-N 3.16Å; F32-L35 PolarHBondContact O-N 3.47Å; L35-K37 PolarHBondContact O-N 3.34Å; L35-Y38 PolarHBondContact O-N 2.98Å; L35-V39 WeakPolarHBondContact O-CG2 3.26Å; L35-V39 PolarHBondContact O-N 3.49Å; L35-V258 HydrophobicContact CD1-CB 4.03Å; L35-V258 HydrophobicContact CD1-CG1 3.57Å
36	I	95.1	Very high	87.8	Confident	26 Å²	26	74.1 Å²	74.1	13%	0.133	39%	0.391	C	S	.	.	H	α-helix	trans	-59.7	-48.5	177.8	-72.1	164.6	0	0	0	110.1	F32 E33 Y38 V39 N40 A49 I51 V262	F32-I36 HydrophobicContact CB-CD1 4.38Å; F32-I36 VanDerWaalsContact O-CB 3.29Å; F32-I36 WeakPolarHBondContact O-CB 3.27Å; F32-I36 WeakPolarHBondContact O-CD1 3.1Å; F32-I36 WeakPolarHBondContact O-CG1 3.17Å; F32-I36 PolarHBondContact O-N 3.09Å; E33-I36 PolarHBondContact O-N 2.87Å; I36-Y38 VanDerWaalsContact C-N 3.34Å; I36-Y38 PolarHBondContact O-N 3.16Å; I36-V39 PolarHBondContact O-N 2.94Å; I36-N40 WeakPolarHBondContact CG2-ND2 3.44Å; I36-N40 VanDerWaalsContact O-CB 3.3Å; I36-N40 WeakPolarHBondContact O-CB 3.25Å; I36-N40 VanDerWaalsContact O-CG 3.32Å; I36-N40 PolarHBondContact O-N 2.99Å; I36-N40 PolarHBondContact O-ND2 3.47Å; I36-A49 HydrophobicContact CB-CB 4.29Å; I36-A49 HydrophobicContact CG1-CB 3.99Å; I36-A49 HydrophobicContact CG2-CB 4.45Å; I36-I51 HydrophobicContact CD1-CD1 3.38Å; I36-I51 HydrophobicContact CD1-CG1 3.69Å; I36-V262 HydrophobicContact CD1-CB 4.39Å; I36-V262 HydrophobicContact CD1-CG1 4.16Å; I36-V262 HydrophobicContact CG1-CB 3.97Å; I36-V262 HydrophobicContact CG1-CG1 4.1Å; I36-V262 HydrophobicContact CG1-CG2 4.23Å
37	K	96	Very high	89.8	Confident	129 Å²	129	66.8 Å²	66.8	56%	0.561	36%	0.356	S	S	*	.	H	α-helix	trans	-59.4	-46.8	175.5	-177.5	176	179.6	178.2	0	111.1	E33 L35 V39 N40 Q41	E33-K37 VanDerWaalsContact O-CB 3.32Å; E33-K37 WeakPolarHBondContact O-CB 3.19Å; E33-K37 PolarHBondContact O-N 3.41Å; L35-K37 PolarHBondContact O-N 3.34Å; K37-V39 PolarHBondContact O-N 3.12Å; K37-N40 PolarHBondContact O-N 2.85Å; K37-Q41 HydrophobicContact CG-CG 4.22Å; K37-Q41 VanDerWaalsContact O-CB 3.24Å; K37-Q41 WeakPolarHBondContact O-CB 3.32Å; K37-Q41 WeakPolarHBondContact O-CG 3.25Å; K37-Q41 PolarHBondContact O-N 3.43Å
38	Y	95.6	Very high	91.5	Very high	45 Å²	45	66.8 Å²	66.8	18%	0.176	35%	0.354	C	S	.	.	H	α-helix	trans	-59.9	-47.7	179.9	175.9	-117.4	0	0	0	112.4	K34 L35 I36 N42 F45 T271 K273	K34-Y38 VanDerWaalsContact O-CB 3.27Å; K34-Y38 WeakPolarHBondContact O-CB 3.41Å; K34-Y38 PolarHBondContact O-N 2.88Å; L35-Y38 PolarHBondContact O-N 2.98Å; I36-Y38 VanDerWaalsContact C-N 3.34Å; I36-Y38 PolarHBondContact O-N 3.16Å; Y38-N42 PolarHBondContact O-N 3.48Å; Y38-N42 PolarHBondContact O-ND2 3.45Å; Y38-F45 HydrophobicContact CD1-CE2 4.25Å; Y38-F45 AromaticContact CE1-CE2 3.76Å; Y38-F45 HydrophobicContact CE1-CE2 3.76Å; Y38-F45 AromaticContact CE1-CZ 3.78Å; Y38-F45 HydrophobicContact CE1-CZ 3.78Å; Y38-F45 HydrophobicContact CE2-CE2 4.41Å; Y38-F45 HydrophobicContact CE2-CZ 4.45Å; Y38-F45 AromaticContact CZ-CE2 3.86Å; Y38-F45 AromaticContact CZ-CZ 3.65Å; Y38-F45 WeakPolarHBondContact OH-CZ 3.49Å; Y38-T271 HydrophobicContact CE1-CG2 4.43Å; Y38-K273 HydrophobicContact CD1-CB 4.38Å; Y38-K273 HydrophobicContact CD1-CD 4.21Å; Y38-K273 HydrophobicContact CD2-CD 4.08Å; Y38-K273 HydrophobicContact CE1-CB 3.9Å; Y38-K273 HydrophobicContact CE1-CD 3.81Å; Y38-K273 HydrophobicContact CE1-CG 3.85Å; Y38-K273 HydrophobicContact CE2-CD 3.67Å; Y38-K273 HydrophobicContact CE2-CG 4.41Å; Y38-K273 HydrophobicContact CG-CD 4.32Å
39	V	96.6	Very high	92.7	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-64.9	-50.7	179.3	172.8	0	0	0	0	110.7	L35 I36 K37 Q41 N42 W47 A49 T271	L35-V39 WeakPolarHBondContact O-CG2 3.26Å; L35-V39 PolarHBondContact O-N 3.49Å; I36-V39 PolarHBondContact O-N 2.94Å; K37-V39 PolarHBondContact O-N 3.12Å; V39-Q41 VanDerWaalsContact C-N 3.28Å; V39-Q41 PolarHBondContact O-N 2.94Å; V39-N42 CarbonylContact O-C 3.55Å; V39-N42 PolarHBondContact O-N 2.95Å; V39-W47 HydrophobicContact CB-CH2 4.31Å; V39-W47 HydrophobicContact CB-CZ2 4.42Å; V39-W47 HydrophobicContact CG1-CD2 3.83Å; V39-W47 HydrophobicContact CG1-CE3 3.85Å; V39-W47 HydrophobicContact CG1-CH2 3.92Å; V39-W47 HydrophobicContact CG1-CZ2 3.9Å; V39-W47 HydrophobicContact CG1-CZ3 3.89Å; V39-W47 WeakPolarHBondContact CG1-O 3.3Å; V39-W47 HydrophobicContact CG2-CH2 3.57Å; V39-W47 HydrophobicContact CG2-CZ2 3.58Å; V39-W47 HydrophobicContact CG2-CZ3 4.29Å; V39-A49 HydrophobicContact CB-CB 3.75Å; V39-A49 HydrophobicContact CG1-CB 3.8Å; V39-A49 HydrophobicContact CG2-CB 4.25Å; V39-T271 HydrophobicContact CG2-CG2 3.92Å
40	N	97.3	Very high	93.6	Very high	75 Å²	75	63 Å²	63	40%	0.401	34%	0.341	S	S	.	.	H	α-helix	trans	-70.9	-21.8	-173.9	-68	-18.2	0	0	0	113.6	I36 K37 N42 A49	I36-N40 WeakPolarHBondContact CG2-ND2 3.44Å; I36-N40 VanDerWaalsContact O-CB 3.3Å; I36-N40 WeakPolarHBondContact O-CB 3.25Å; I36-N40 VanDerWaalsContact O-CG 3.32Å; I36-N40 PolarHBondContact O-N 2.99Å; I36-N40 PolarHBondContact O-ND2 3.47Å; K37-N40 PolarHBondContact O-N 2.85Å; N40-N42 VanDerWaalsContact C-N 3.33Å; N40-A49 PolarHBondContact ND2-O 3.47Å; N40-A49 PolarHBondContact OD1-N 2.85Å; N40-A49 PolarHBondContact OD1-O 3.05Å
41	Q	97	Very high	94.1	Very high	126 Å²	126	63.1 Å²	63.1	59%	0.589	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-9.9	172.1	-71.8	-177.9	-27.6	0	0	113.5	K37 V39 P43	K37-Q41 HydrophobicContact CG-CG 4.22Å; K37-Q41 VanDerWaalsContact O-CB 3.24Å; K37-Q41 WeakPolarHBondContact O-CB 3.32Å; K37-Q41 WeakPolarHBondContact O-CG 3.25Å; K37-Q41 PolarHBondContact O-N 3.43Å; V39-Q41 VanDerWaalsContact C-N 3.28Å; V39-Q41 PolarHBondContact O-N 2.94Å; Q41-P43 WeakPolarHBondContact O-CD 3.37Å
42	N	95.9	Very high	94.6	Very high	66 Å²	66	60.8 Å²	60.8	35%	0.353	33%	0.326	S	S	.	.			trans	-122.6	76.5	-177.1	-71.4	-86	0	0	0	109.8	Y38 V39 N40 G44 F45	Y38-N42 PolarHBondContact O-N 3.48Å; Y38-N42 PolarHBondContact O-ND2 3.45Å; V39-N42 CarbonylContact O-C 3.55Å; V39-N42 PolarHBondContact O-N 2.95Å; N40-N42 VanDerWaalsContact C-N 3.33Å; N42-G44 PolarHBondContact O-N 3.44Å; N42-F45 HydrophobicContact CB-CD2 3.53Å; N42-F45 HydrophobicContact CB-CE2 3.31Å; N42-F45 HydrophobicContact CB-CZ 4.12Å; N42-F45 VanDerWaalsContact O-CD2 3.3Å; N42-F45 WeakPolarHBondContact O-CD2 3.42Å; N42-F45 PolarHBondContact O-N 3.38Å
43	P	90.6	Very high	94.5	Very high	113 Å²	113	64.3 Å²	64.3	73%	0.734	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-59.3	-19.9	-175.6	23.8	-34.5	0	0	0	113.7	Q41 F45 G46	Q41-P43 WeakPolarHBondContact O-CD 3.37Å; P43-F45 PolarHBondContact O-N 3.47Å; P43-F45 VanDerWaalsContact O-N 3.11Å; P43-G46 PolarHBondContact O-N 3.09Å
44	G	92.9	Very high	94.5	Very high	80 Å²	80	58.6 Å²	58.6	83%	0.825	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-60.4	-14.2	174	0	0	0	0	0	115	N42 G46	N42-G44 PolarHBondContact O-N 3.44Å; G44-G46 VanDerWaalsContact C-N 3.29Å
45	F	93.3	Very high	94.5	Very high	44 Å²	44	51.3 Å²	51.3	19%	0.193	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-71.2	-22.6	171.7	-66.1	-46.8	0	0	0	113.5	Y38 N42 P43 W47 T271	Y38-F45 HydrophobicContact CD1-CE2 4.25Å; Y38-F45 AromaticContact CE1-CE2 3.76Å; Y38-F45 HydrophobicContact CE1-CE2 3.76Å; Y38-F45 AromaticContact CE1-CZ 3.78Å; Y38-F45 HydrophobicContact CE1-CZ 3.78Å; Y38-F45 HydrophobicContact CE2-CE2 4.41Å; Y38-F45 HydrophobicContact CE2-CZ 4.45Å; Y38-F45 AromaticContact CZ-CE2 3.86Å; Y38-F45 AromaticContact CZ-CZ 3.65Å; Y38-F45 WeakPolarHBondContact OH-CZ 3.49Å; N42-F45 HydrophobicContact CB-CD2 3.53Å; N42-F45 HydrophobicContact CB-CE2 3.31Å; N42-F45 HydrophobicContact CB-CZ 4.12Å; N42-F45 VanDerWaalsContact O-CD2 3.3Å; N42-F45 WeakPolarHBondContact O-CD2 3.42Å; N42-F45 PolarHBondContact O-N 3.38Å; P43-F45 PolarHBondContact O-N 3.47Å; P43-F45 VanDerWaalsContact O-N 3.11Å; F45-W47 VanDerWaalsContact O-CD1 3.31Å; F45-T271 HydrophobicContact CD1-CG2 4.21Å; F45-T271 HydrophobicContact CD2-CG2 4.08Å; F45-T271 HydrophobicContact CE1-CG2 4.27Å; F45-T271 HydrophobicContact CE2-CG2 4.1Å; F45-T271 HydrophobicContact CG-CG2 4.15Å; F45-T271 HydrophobicContact CZ-CG2 4.23Å
46	G	94.2	Very high	94.1	Very high	28 Å²	28	57.4 Å²	57.4	29%	0.289	31%	0.314	S	S	.	.			trans	81.2	8	175.6	0	0	0	0	0	115.6	P43 G44 V267	P43-G46 PolarHBondContact O-N 3.09Å; G44-G46 VanDerWaalsContact C-N 3.29Å; G46-V267 PolarHBondContact O-N 3.12Å
47	W	97.8	Very high	93.6	Very high	12 Å²	12	59.5 Å²	59.5	5%	0.045	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	160.7	177.9	63.3	-84.9	0	0	0	111.6	V39 F45 A49 D259 V262 Y263 S265 Y268 F269 T271	V39-W47 HydrophobicContact CB-CH2 4.31Å; V39-W47 HydrophobicContact CB-CZ2 4.42Å; V39-W47 HydrophobicContact CG1-CD2 3.83Å; V39-W47 HydrophobicContact CG1-CE3 3.85Å; V39-W47 HydrophobicContact CG1-CH2 3.92Å; V39-W47 HydrophobicContact CG1-CZ2 3.9Å; V39-W47 HydrophobicContact CG1-CZ3 3.89Å; V39-W47 WeakPolarHBondContact CG1-O 3.3Å; V39-W47 HydrophobicContact CG2-CH2 3.57Å; V39-W47 HydrophobicContact CG2-CZ2 3.58Å; V39-W47 HydrophobicContact CG2-CZ3 4.29Å; F45-W47 VanDerWaalsContact O-CD1 3.31Å; W47-A49 HydrophobicContact CE3-CB 4.38Å; W47-A49 HydrophobicContact CH2-CB 4.28Å; W47-A49 HydrophobicContact CZ3-CB 3.69Å; W47-D259 HydrophobicContact CH2-CB 3.91Å; W47-D259 WeakPolarHBondContact CH2-O 3.32Å; W47-D259 HydrophobicContact CZ2-CB 4.2Å; W47-V262 HydrophobicContact CH2-CG2 4.43Å; W47-V262 HydrophobicContact CZ3-CG2 4.5Å; W47-Y263 HydrophobicContact CB-CD2 4.45Å; W47-Y263 HydrophobicContact CB-CE2 4.23Å; W47-Y263 HydrophobicContact CD2-CD2 4.42Å; W47-Y263 AromaticContact CE3-CD2 3.88Å; W47-Y263 HydrophobicContact CE3-CD2 3.88Å; W47-Y263 HydrophobicContact CZ3-CD2 4.5Å; W47-S265 CarbonylContact C-O 3.56Å; W47-S265 VanDerWaalsContact CA-O 3.29Å; W47-S265 WeakPolarHBondContact CA-O 3.27Å; W47-S265 VanDerWaalsContact CB-O 3.31Å; W47-S265 WeakPolarHBondContact CB-O 3.43Å; W47-Y268 HydrophobicContact CD2-CD2 4.2Å; W47-Y268 AromaticContact CE2-CD2 3.94Å; W47-Y268 HydrophobicContact CH2-CD2 4.41Å; W47-Y268 HydrophobicContact CH2-CE2 4.38Å; W47-Y268 HydrophobicContact CZ2-CD2 4.07Å; W47-Y268 HydrophobicContact CZ2-CE2 4.05Å; W47-F269 PolarHBondContact NE1-O 2.93Å; W47-F269 VanDerWaalsContact NE1-O 3.13Å; W47-T271 HydrophobicContact CZ2-CG2 3.78Å
48	K	98	Very high	92.9	Very high	141 Å²	141	54.2 Å²	54.2	61%	0.613	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.7	137.5	178.7	-63.7	-177.7	-178.2	176.2	0	110.6	K264 S265	K48-K264 PolarHBondContact O-N 3.24Å; K48-S265 PolarHBondContact N-O 2.99Å; K48-S265 PolarHBondContact O-N 3.33Å
49	A	97.3	Very high	92.3	Very high	7 Å²	7	59 Å²	59	6%	0.058	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	151	177.2	0	0	0	0	0	111.8	I36 V39 N40 W47 V262	I36-A49 HydrophobicContact CB-CB 4.29Å; I36-A49 HydrophobicContact CG1-CB 3.99Å; I36-A49 HydrophobicContact CG2-CB 4.45Å; V39-A49 HydrophobicContact CB-CB 3.75Å; V39-A49 HydrophobicContact CG1-CB 3.8Å; V39-A49 HydrophobicContact CG2-CB 4.25Å; N40-A49 PolarHBondContact ND2-O 3.47Å; N40-A49 PolarHBondContact OD1-N 2.85Å; N40-A49 PolarHBondContact OD1-O 3.05Å; W47-A49 HydrophobicContact CE3-CB 4.38Å; W47-A49 HydrophobicContact CH2-CB 4.28Å; W47-A49 HydrophobicContact CZ3-CB 3.69Å; A49-V262 CarbonylContact C-O 3.58Å; A49-V262 WeakPolarHBondContact CA-O 3.32Å; A49-V262 HydrophobicContact CB-CB 4.37Å; A49-V262 HydrophobicContact CB-CG2 3.89Å
50	G	96.3	Very high	91.9	Very high	15 Å²	15	59.1 Å²	59.1	16%	0.155	33%	0.326	C	S	.	.			trans	-167.2	169.6	175.2	0	0	0	0	0	111.6	N52 V262	G50-N52 PolarHBondContact O-N 2.86Å; G50-V262 PolarHBondContact N-O 3.45Å; G50-V262 CarbonylContact O-C 3.47Å; G50-V262 VanDerWaalsContact O-CA 3.31Å; G50-V262 WeakPolarHBondContact O-CA 3.42Å; G50-V262 WeakPolarHBondContact O-CB 3.39Å; G50-V262 VanDerWaalsContact O-O 3.08Å
51	I	93.5	Very high	91.4	Very high	65 Å²	65	55.6 Å²	55.6	33%	0.333	31%	0.307	S	S	.	.			trans	-72.8	123.9	-179.6	-62	-68.4	0	0	0	109.6	F32 I36 R56	F32-I51 HydrophobicContact CB-CD1 3.95Å; F32-I51 HydrophobicContact CD2-CD1 4.26Å; I36-I51 HydrophobicContact CD1-CD1 3.38Å; I36-I51 HydrophobicContact CD1-CG1 3.69Å; I51-R56 HydrophobicContact CG2-CG 4.05Å; I51-R56 VanDerWaalsContact CG2-NE 3.31Å
52	N	93.5	Very high	90.9	Very high	5 Å²	5	53.7 Å²	53.7	3%	0.027	30%	0.297	C	S	.	.			trans	-98.5	121.3	163.8	-70.6	-58.6	0	0	0	108.2	G50 R54 F55 L261 Y263 K264 W306	G50-N52 PolarHBondContact O-N 2.86Å; N52-R54 PolarHBondContact O-N 3.2Å; N52-R54 VanDerWaalsContact O-N 3.15Å; N52-F55 HydrophobicContact CB-CD2 3.88Å; N52-F55 HydrophobicContact CB-CE2 4.29Å; N52-F55 PolarHBondContact O-N 3.49Å; N52-F55 VanDerWaalsContact O-N 3.11Å; N52-L261 PolarHBondContact ND2-O 3.49Å; N52-Y263 PolarHBondContact ND2-O 3.33Å; N52-K264 VanDerWaalsContact OD1-CD 3.27Å; N52-K264 WeakPolarHBondContact OD1-CD 3.25Å; N52-K264 PolarHBondContact OD1-NZ 3.39Å; N52-W306 PolarHBondContact ND2-NE1 2.86Å
53	S	88.8	Confident	90.5	Very high	76 Å²	76	52.4 Å²	52.4	53%	0.531	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-54.6	-35.9	-173.6	49.8	0	0	0	0	112.9	F55 R56	S53-F55 PolarHBondContact O-N 3.49Å; S53-F55 VanDerWaalsContact O-N 3.13Å; S53-R56 PolarHBondContact O-N 3.38Å
54	R	90.7	Very high	90.5	Very high	12 Å²	12	47.3 Å²	47.3	5%	0.045	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-60.4	-21.6	-180	77.2	-179.6	-67.3	131.7	-1.3	115.8	N52 D112 C114 Y195 W302	N52-R54 PolarHBondContact O-N 3.2Å; N52-R54 VanDerWaalsContact O-N 3.15Å; R54-D112 IonicContact CZ-OD1 2.57Å; R54-D112 IonicContact NH1-OD1 2.87Å; R54-D112 PolarHBondContact NH1-OD1 2.93Å; R54-D112 IonicContact NH1-OD2 3.41Å; R54-D112 IonicContact NH2-OD1 3.57Å; R54-D112 PolarHBondContact NH2-OD1 3.14Å; R54-C114 PolarHBondContact NH2-O 2.92Å; R54-Y195 HydrophobicContact CB-CD1 3.56Å; R54-Y195 HydrophobicContact CB-CE1 3.77Å; R54-Y195 HydrophobicContact CB-CG 4.06Å; R54-W302 PolarHBondContact NH1-O 2.9Å
55	F	91.1	Very high	90.4	Very high	1 Å²	1	44.2 Å²	44.2	0%	0.004	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-106.5	5.6	-177.6	-54.5	-55.8	0	0	0	114.1	F32 N52 S53 N57 T61 L64 L261 W302 W306	F32-F55 HydrophobicContact CE2-CB 3.67Å; F32-F55 VanDerWaalsContact CE2-O 3.31Å; F32-F55 WeakPolarHBondContact CE2-O 3.13Å; F32-F55 HydrophobicContact CZ-CB 3.84Å; N52-F55 HydrophobicContact CB-CD2 3.88Å; N52-F55 HydrophobicContact CB-CE2 4.29Å; N52-F55 PolarHBondContact O-N 3.49Å; N52-F55 VanDerWaalsContact O-N 3.11Å; S53-F55 PolarHBondContact O-N 3.49Å; S53-F55 VanDerWaalsContact O-N 3.13Å; F55-N57 PolarHBondContact O-N 2.92Å; F55-T61 WeakPolarHBondContact CA-OG1 3.43Å; F55-T61 HydrophobicContact CD1-CG2 4.07Å; F55-T61 PolarHBondContact O-OG1 2.65Å; F55-L64 HydrophobicContact CE1-CD1 3.85Å; F55-L261 HydrophobicContact CB-CB 4.44Å; F55-L261 HydrophobicContact CD1-CD2 4.1Å; F55-L261 HydrophobicContact CD2-CB 3.73Å; F55-L261 HydrophobicContact CD2-CD2 4.21Å; F55-L261 HydrophobicContact CD2-CG 4.48Å; F55-L261 WeakPolarHBondContact CD2-O 3.47Å; F55-L261 HydrophobicContact CE1-CD2 3.91Å; F55-L261 HydrophobicContact CE2-CB 4.12Å; F55-L261 HydrophobicContact CE2-CD2 4.01Å; F55-L261 WeakPolarHBondContact CE2-O 3.15Å; F55-L261 HydrophobicContact CG-CB 4.07Å; F55-L261 HydrophobicContact CG-CD1 4.46Å; F55-L261 HydrophobicContact CG-CD2 4.26Å; F55-L261 HydrophobicContact CZ-CD2 3.86Å; F55-W302 HydrophobicContact CE2-CE3 4.01Å; F55-W302 HydrophobicContact CE2-CZ3 4.08Å; F55-W302 AromaticContact CZ-CD2 3.81Å; F55-W302 HydrophobicContact CZ-CD2 3.81Å; F55-W302 AromaticContact CZ-CE3 3.46Å; F55-W302 HydrophobicContact CZ-CE3 3.46Å; F55-W302 VanDerWaalsContact CZ-CE3 3.46Å; F55-W302 HydrophobicContact CZ-CH2 4.1Å; F55-W302 HydrophobicContact CZ-CZ2 4.39Å; F55-W302 AromaticContact CZ-CZ3 3.62Å; F55-W302 HydrophobicContact CZ-CZ3 3.62Å; F55-W306 AromaticContact CE2-CD1 3.55Å; F55-W306 AromaticContact CE2-NE1 3.57Å
56	R	85	Confident	89.9	Confident	140 Å²	140	47.4 Å²	47.4	53%	0.528	23%	0.232	S	C	.	.	S	Bend	trans	-64	-33.2	175.4	-67.7	-172.9	-174.9	-166.2	0.4	111.9	I28 I51 S53	I28-R56 WeakPolarHBondContact CG2-O 3.31Å; I51-R56 HydrophobicContact CG2-CG 4.05Å; I51-R56 VanDerWaalsContact CG2-NE 3.31Å; S53-R56 PolarHBondContact O-N 3.38Å
57	N	83.5	Confident	89.3	Confident	70 Å²	70	50.5 Å²	50.5	37%	0.374	24%	0.242	S	C	.	.			trans	-89	114.4	175.4	-169.9	-38	0	0	0	110.7	F55 K59 D60 T61	F55-N57 PolarHBondContact O-N 2.92Å; N57-K59 VanDerWaalsContact C-N 3.34Å; N57-K59 PolarHBondContact O-N 3.18Å; N57-K59 WeakPolarHBondContact OD1-CA 3.35Å; N57-K59 WeakPolarHBondContact OD1-CB 3.29Å; N57-K59 PolarHBondContact OD1-N 3.36Å; N57-D60 HydrophobicContact CB-CB 4.13Å; N57-D60 WeakPolarHBondContact CB-OD2 3.31Å; N57-D60 PolarHBondContact ND2-OD2 2.63Å; N57-D60 PolarHBondContact O-N 2.75Å; N57-D60 PolarHBondContact OD1-N 3.13Å; N57-T61 PolarHBondContact O-N 3.27Å; N57-T61 PolarHBondContact O-OG1 3.25Å
58	L	81.8	Confident	88.5	Confident	18 Å²	18	51.8 Å²	51.8	9%	0.094	25%	0.249	C	C	.	.	H	α-helix	trans	-64.4	-36.5	178.3	177.6	64.5	0	0	0	113	L23 N25 I28 D60 T61 K62	L23-L58 HydrophobicContact CB-CD1 4.13Å; L23-L58 HydrophobicContact CD2-CD1 3.37Å; L23-L58 HydrophobicContact CG-CD1 4.36Å; N25-L58 WeakPolarHBondContact O-CD2 3.17Å; I28-L58 HydrophobicContact CB-CB 4.28Å; I28-L58 HydrophobicContact CB-CD1 4.27Å; I28-L58 HydrophobicContact CD1-CD1 3.87Å; I28-L58 HydrophobicContact CG1-CD1 4.42Å; I28-L58 HydrophobicContact CG2-CB 4.31Å; L58-D60 VanDerWaalsContact C-N 3.3Å; L58-D60 PolarHBondContact O-N 2.91Å; L58-T61 PolarHBondContact O-N 2.95Å; L58-K62 HydrophobicContact CD1-CG 4.38Å; L58-K62 HydrophobicContact CG-CD 4.23Å; L58-K62 WeakPolarHBondContact O-CB 3.42Å; L58-K62 VanDerWaalsContact O-CG 3.28Å; L58-K62 WeakPolarHBondContact O-CG 3.22Å; L58-K62 PolarHBondContact O-N 2.92Å
59	K	84.2	Confident	87.6	Confident	144 Å²	144	46 Å²	46	63%	0.626	23%	0.225	S	C	*	.	H	α-helix	trans	-61.6	-42.5	177.7	-175.7	-173.5	176.8	-173.1	0	110.2	N57 K63	N57-K59 VanDerWaalsContact C-N 3.34Å; N57-K59 PolarHBondContact O-N 3.18Å; N57-K59 WeakPolarHBondContact OD1-CA 3.35Å; N57-K59 WeakPolarHBondContact OD1-CB 3.29Å; N57-K59 PolarHBondContact OD1-N 3.36Å; K59-K63 PolarHBondContact O-N 3.46Å
60	D	87	Confident	86.5	Confident	4 Å²	4	52.2 Å²	52.2	2%	0.021	25%	0.251	C	S	.	.	H	α-helix	trans	-71.7	-43.4	178.8	-63.2	-28.3	0	0	0	111.5	N57 L58 K62 K63 Y195	N57-D60 HydrophobicContact CB-CB 4.13Å; N57-D60 WeakPolarHBondContact CB-OD2 3.31Å; N57-D60 PolarHBondContact ND2-OD2 2.63Å; N57-D60 PolarHBondContact O-N 2.75Å; N57-D60 PolarHBondContact OD1-N 3.13Å; L58-D60 VanDerWaalsContact C-N 3.3Å; L58-D60 PolarHBondContact O-N 2.91Å; D60-K62 VanDerWaalsContact C-N 3.28Å; D60-K62 PolarHBondContact O-N 2.9Å; D60-K63 VanDerWaalsContact O-CB 3.32Å; D60-K63 WeakPolarHBondContact O-CB 3.27Å; D60-K63 PolarHBondContact O-N 2.82Å; D60-K63 IonicContact OD1-NZ 2.71Å; D60-K63 PolarHBondContact OD1-NZ 3.06Å; D60-Y195 HydrophobicContact CB-CE2 4.31Å; D60-Y195 PolarHBondContact OD2-OH 3.13Å
61	T	87.7	Confident	85.4	Confident	0 Å²	0	56 Å²	56	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-56.5	-43.4	174.5	-55.5	0	0	0	0	111.3	L23 I28 F55 N57 L58 K63 L64 F65 L261	L23-T61 HydrophobicContact CD2-CG2 4.25Å; I28-T61 HydrophobicContact CD1-CG2 4.42Å; F55-T61 WeakPolarHBondContact CA-OG1 3.43Å; F55-T61 HydrophobicContact CD1-CG2 4.07Å; F55-T61 PolarHBondContact O-OG1 2.65Å; N57-T61 PolarHBondContact O-N 3.27Å; N57-T61 PolarHBondContact O-OG1 3.25Å; L58-T61 PolarHBondContact O-N 2.95Å; T61-K63 VanDerWaalsContact C-N 3.26Å; T61-K63 PolarHBondContact O-N 2.78Å; T61-L64 PolarHBondContact O-N 2.96Å; T61-F65 HydrophobicContact CG2-CD2 4.5Å; T61-F65 HydrophobicContact CG2-CE2 4.37Å; T61-F65 WeakPolarHBondContact O-CD2 3.23Å; T61-L261 HydrophobicContact CG2-CD1 3.64Å
62	K	86.4	Confident	84.2	Confident	87 Å²	87	60 Å²	60	38%	0.378	28%	0.282	S	S	.	.	H	α-helix	trans	-58	-34.6	176.5	-81.3	169.3	176	174.7	0	113.2	L23 L58 D60 L64 F65 K66	L23-K62 HydrophobicContact CB-CD 4.42Å; L23-K62 HydrophobicContact CB-CG 3.93Å; L23-K62 HydrophobicContact CD1-CG 3.88Å; L23-K62 HydrophobicContact CD2-CG 4.16Å; L23-K62 HydrophobicContact CG-CG 4.22Å; L23-K62 WeakPolarHBondContact O-CE 3.27Å; L23-K62 PolarHBondContact O-NZ 3.03Å; L58-K62 HydrophobicContact CD1-CG 4.38Å; L58-K62 HydrophobicContact CG-CD 4.23Å; L58-K62 WeakPolarHBondContact O-CB 3.42Å; L58-K62 VanDerWaalsContact O-CG 3.28Å; L58-K62 WeakPolarHBondContact O-CG 3.22Å; L58-K62 PolarHBondContact O-N 2.92Å; D60-K62 VanDerWaalsContact C-N 3.28Å; D60-K62 PolarHBondContact O-N 2.9Å; K62-L64 VanDerWaalsContact C-N 3.26Å; K62-L64 PolarHBondContact O-N 3.2Å; K62-F65 PolarHBondContact O-N 2.92Å; K62-K66 PolarHBondContact O-N 3.42Å
63	K	88	Confident	83.1	Confident	38 Å²	38	63.6 Å²	63.6	17%	0.165	30%	0.301	C	S	.	.	H	α-helix	trans	-60.1	-39.8	179.5	-67	169.6	-177.8	159.7	0	110.7	K59 D60 T61 F65 K66 C115 F159 K199 Y203	K59-K63 PolarHBondContact O-N 3.46Å; D60-K63 VanDerWaalsContact O-CB 3.32Å; D60-K63 WeakPolarHBondContact O-CB 3.27Å; D60-K63 PolarHBondContact O-N 2.82Å; D60-K63 IonicContact OD1-NZ 2.71Å; D60-K63 PolarHBondContact OD1-NZ 3.06Å; T61-K63 VanDerWaalsContact C-N 3.26Å; T61-K63 PolarHBondContact O-N 2.78Å; K63-F65 PolarHBondContact O-N 2.96Å; K63-K66 PolarHBondContact O-N 3.31Å; K63-C115 HydrophobicContact CB-CB 4.1Å; K63-C115 HydrophobicContact CD-CB 3.57Å; K63-F159 HydrophobicContact CB-CE1 3.93Å; K63-F159 HydrophobicContact CB-CZ 4.41Å; K63-F159 VanDerWaalsContact O-CD1 3.22Å; K63-F159 WeakPolarHBondContact O-CD1 3.48Å; K63-F159 VanDerWaalsContact O-CE1 3.29Å; K63-F159 WeakPolarHBondContact O-CE1 3.11Å; K63-K199 PolarHBondContact NZ-O 2.88Å; K63-Y203 HydrophobicContact CD-CE2 4.45Å
64	L	90.3	Very high	82.2	Confident	6 Å²	6	60.2 Å²	60.2	3%	0.031	28%	0.277	C	S	.	.	H	α-helix	trans	-68.8	-14.9	179.6	-62.9	179.7	0	0	0	114.6	F55 T61 K62 E113 C114 R117	F55-L64 HydrophobicContact CE1-CD1 3.85Å; T61-L64 PolarHBondContact O-N 2.96Å; K62-L64 VanDerWaalsContact C-N 3.26Å; K62-L64 PolarHBondContact O-N 3.2Å; L64-E113 HydrophobicContact CD2-CG 4.06Å; L64-E113 VanDerWaalsContact CD2-OE1 3.27Å; L64-E113 WeakPolarHBondContact CD2-OE1 3.21Å; L64-C114 WeakPolarHBondContact CD2-O 3.28Å; L64-R117 WeakPolarHBondContact O-CD 3.42Å; L64-R117 WeakPolarHBondContact O-CG 3.43Å
65	F	89.6	Confident	80.7	Confident	15 Å²	15	61.9 Å²	61.9	7%	0.066	30%	0.298	C	S	.	.	H	α-helix	trans	-121.1	7.7	178.4	-60.1	-83.1	0	0	0	112.6	T61 K62 K63 N68 V256 L261 L277 I280 W302	T61-F65 HydrophobicContact CG2-CD2 4.5Å; T61-F65 HydrophobicContact CG2-CE2 4.37Å; T61-F65 WeakPolarHBondContact O-CD2 3.23Å; K62-F65 PolarHBondContact O-N 2.92Å; K63-F65 PolarHBondContact O-N 2.96Å; F65-N68 WeakPolarHBondContact O-CB 3.24Å; F65-N68 PolarHBondContact O-N 3.4Å; F65-V256 HydrophobicContact CE1-CG2 3.52Å; F65-V256 HydrophobicContact CZ-CG2 3.98Å; F65-L261 HydrophobicContact CE2-CD2 4.05Å; F65-L261 HydrophobicContact CZ-CD2 4.08Å; F65-L277 HydrophobicContact CD1-CD2 4.26Å; F65-L277 HydrophobicContact CD1-CG 3.85Å; F65-L277 HydrophobicContact CD2-CD1 4.21Å; F65-L277 HydrophobicContact CD2-CD2 3.85Å; F65-L277 HydrophobicContact CD2-CG 3.87Å; F65-L277 HydrophobicContact CE1-CD2 3.81Å; F65-L277 HydrophobicContact CE1-CG 3.85Å; F65-L277 HydrophobicContact CE2-CD2 3.39Å; F65-L277 HydrophobicContact CE2-CG 3.92Å; F65-L277 HydrophobicContact CG-CD1 4.33Å; F65-L277 HydrophobicContact CG-CD2 4.28Å; F65-L277 HydrophobicContact CG-CG 3.86Å; F65-L277 HydrophobicContact CZ-CD2 3.36Å; F65-L277 HydrophobicContact CZ-CG 3.9Å; F65-I280 HydrophobicContact CD1-CG2 4.5Å; F65-I280 HydrophobicContact CE1-CG2 3.69Å; F65-I280 HydrophobicContact CZ-CG2 4.3Å; F65-W302 HydrophobicContact CZ-CH2 4.27Å; F65-W302 HydrophobicContact CZ-CZ2 4.17Å
66	K	83.5	Confident	79.1	Confident	112 Å²	112	63.2 Å²	63.2	49%	0.487	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	136.4	176.6	-173.1	178.3	178.7	-174.2	0	109.6	K62 K63 N68 R117 F159	K62-K66 PolarHBondContact O-N 3.42Å; K63-K66 PolarHBondContact O-N 3.31Å; K66-N68 PolarHBondContact O-N 2.78Å; K66-R117 PolarHBondContact O-NH1 3.11Å; K66-F159 HydrophobicContact CB-CD1 4.17Å; K66-F159 HydrophobicContact CB-CG 4.49Å; K66-F159 HydrophobicContact CD-CB 4.48Å; K66-F159 HydrophobicContact CD-CD1 4.46Å; K66-F159 HydrophobicContact CD-CG 4.22Å
67	N	80.8	Confident	77.8	Confident	93 Å²	93	66.7 Å²	66.7	50%	0.497	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	28.5	178.3	-62.9	-19.5	0	0	0	114.8	R117 F159 H160	N67-R117 PolarHBondContact O-NH1 3.24Å; N67-F159 VanDerWaalsContact CB-O 3.22Å; N67-F159 WeakPolarHBondContact CB-O 3.33Å; N67-H160 PolarHBondContact ND2-CD2 3.06Å; N67-H160 PolarHBondContact ND2-NE2 3.19Å
68	N	81.5	Confident	77.4	Confident	38 Å²	38	73.6 Å²	73.6	20%	0.203	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-52.3	145.1	-173.6	-168.8	-109.1	0	0	0	113.4	F65 K66 G278 W279	F65-N68 WeakPolarHBondContact O-CB 3.24Å; F65-N68 PolarHBondContact O-N 3.4Å; K66-N68 PolarHBondContact O-N 2.78Å; N68-G278 WeakPolarHBondContact OD1-CA 3.4Å; N68-W279 PolarHBondContact ND2-N 3.43Å; N68-W279 PolarHBondContact ND2-O 2.88Å; N68-W279 PolarHBondContact OD1-N 2.93Å
69	I	78.3	Confident	77.7	Confident	21 Å²	21	74.3 Å²	74.3	11%	0.108	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-59.1	139.2	-176.1	-60.6	169.3	0	0	0	110	D73 L74 N162	I69-D73 HydrophobicContact CG2-CB 3.82Å; I69-L74 HydrophobicContact CG2-CD2 3.89Å; I69-L74 HydrophobicContact CG2-CG 3.91Å; I69-N162 HydrophobicContact CD1-CB 3.52Å; I69-N162 HydrophobicContact CG1-CB 4.31Å
70	K	74.5	Confident	78.2	Confident	137 Å²	137	73 Å²	73	60%	0.596	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-88.2	146.4	174.5	-61.4	179.2	177.9	-179.6	0	109.2	K72 D73	K70-K72 HydrophobicContact CB-CG 3.9Å; K70-K72 PolarHBondContact O-N 2.89Å; K70-D73 WeakPolarHBondContact CB-OD2 3.21Å; K70-D73 PolarHBondContact N-OD2 2.95Å; K70-D73 WeakPolarHBondContact O-CB 3.28Å; K70-D73 PolarHBondContact O-N 2.92Å
71	I	73.3	Confident	78.6	Confident	93 Å²	93	76.3 Å²	76.3	48%	0.477	37%	0.372	S	S	.	.	H	α-helix	trans	-48.6	-38.7	179.9	-67.4	176.8	0	0	0	112.8	D73 L74 G75 W279	I71-D73 PolarHBondContact O-N 3.42Å; I71-L74 PolarHBondContact O-N 3.03Å; I71-L74 VanDerWaalsContact O-N 3.11Å; I71-G75 PolarHBondContact O-N 3.45Å; I71-W279 HydrophobicContact CD1-CZ2 4.04Å; I71-W279 HydrophobicContact CG1-CZ2 3.66Å
72	K	68.8	Low	79	Confident	150 Å²	150	78 Å²	78	65%	0.652	38%	0.38	S	S	*	.	H	α-helix	trans	-58.2	-27.4	178.2	61.5	168.6	-168.7	169.5	0	113.9	K70	K70-K72 HydrophobicContact CB-CG 3.9Å; K70-K72 PolarHBondContact O-N 2.89Å
73	D	70.4	Confident	79.5	Confident	80 Å²	80	76.3 Å²	76.3	43%	0.428	38%	0.38	S	S	.	.	H	α-helix	trans	-85	-25.7	-177.8	-52.3	-41.4	0	0	0	110.5	I69 K70 I71	I69-D73 HydrophobicContact CG2-CB 3.82Å; K70-D73 WeakPolarHBondContact CB-OD2 3.21Å; K70-D73 PolarHBondContact N-OD2 2.95Å; K70-D73 WeakPolarHBondContact O-CB 3.28Å; K70-D73 PolarHBondContact O-N 2.92Å; I71-D73 PolarHBondContact O-N 3.42Å
74	L	69.1	Low	79.9	Confident	5 Å²	5	75.3 Å²	75.3	3%	0.026	38%	0.375	C	S	.	.	H	α-helix	trans	-75.1	-36.7	175.8	-63.2	174.5	0	0	0	112.7	I69 I71 W279 Y326 R328	I69-L74 HydrophobicContact CG2-CD2 3.89Å; I69-L74 HydrophobicContact CG2-CG 3.91Å; I71-L74 PolarHBondContact O-N 3.03Å; I71-L74 VanDerWaalsContact O-N 3.11Å; L74-W279 HydrophobicContact CD1-CD2 3.48Å; L74-W279 VanDerWaalsContact CD1-CD2 3.48Å; L74-W279 HydrophobicContact CD1-CE3 3.53Å; L74-W279 HydrophobicContact CD1-CG 3.97Å; L74-W279 HydrophobicContact CD1-CH2 4.18Å; L74-W279 HydrophobicContact CD1-CZ2 4.16Å; L74-W279 HydrophobicContact CD1-CZ3 3.89Å; L74-Y326 HydrophobicContact CB-CD1 3.68Å; L74-Y326 HydrophobicContact CB-CD2 4.23Å; L74-Y326 HydrophobicContact CB-CE1 3.69Å; L74-Y326 HydrophobicContact CB-CE2 4.24Å; L74-Y326 HydrophobicContact CB-CG 3.96Å; L74-Y326 HydrophobicContact CD1-CD2 3.97Å; L74-Y326 HydrophobicContact CD1-CE2 4.06Å; L74-Y326 HydrophobicContact CD1-CG 4.38Å; L74-R328 PolarHBondContact O-NH2 3.22Å
75	G	61	Low	80.1	Confident	47 Å²	47	81.7 Å²	81.7	49%	0.485	40%	0.399	S	S	.	.	S	Bend	trans	-92.2	9.6	-172.3	0	0	0	0	0	116.5	I71 K77	I71-G75 PolarHBondContact O-N 3.45Å; G75-K77 PolarHBondContact O-N 3.36Å
76	G	57.5	Low	80.4	Confident	29 Å²	29	89 Å²	89	30%	0.299	44%	0.439	S	S	.	.			trans	-64.3	127.2	-176.6	0	0	0	0	0	112.9	R78	G76-R78 PolarHBondContact O-N 3.29Å
77	K	57.3	Low	81	Confident	214 Å²	214	85.9 Å²	85.9	93%	0.93	43%	0.429	S	S	*	.	S	Bend	trans	-63.5	34.5	178.8	-64.7	-176.5	175.9	-179.3	0	115.3	G75	G75-K77 PolarHBondContact O-N 3.36Å
78	R	75.2	Confident	81.7	Confident	215 Å²	215	89.4 Å²	89.4	81%	0.811	45%	0.448	S	S	*	.			trans	-86.5	-16.8	-170.3	-65.9	-173.3	179.7	-178	0.9	114.2	G76	G76-R78 PolarHBondContact O-N 3.29Å
79	I	88	Confident	82.3	Confident	32 Å²	32	90.6 Å²	90.6	16%	0.164	45%	0.453	C	S	.	.	S	Bend	trans	-134.9	155.2	-179.9	65.8	178.2	0	0	0	111.4	L164 I230 N232 R328	I79-L164 HydrophobicContact CD1-CD1 3.89Å; I79-L164 HydrophobicContact CG2-CD1 4.16Å; I79-I230 HydrophobicContact CG2-CD1 4.06Å; I79-I230 HydrophobicContact CG2-CG1 4.24Å; I79-N232 WeakPolarHBondContact CD1-OD1 3.43Å; I79-N232 WeakPolarHBondContact CG1-ND2 3.3Å; I79-N232 PolarHBondContact O-ND2 2.84Å; I79-R328 HydrophobicContact CD1-CG 4.42Å
80	Q	93.5	Very high	83.2	Confident	117 Å²	117	95.9 Å²	95.9	55%	0.547	49%	0.486	S	S	.	.			trans	-58.5	142.8	178.7	-175	178.9	30.5	0	0	110.9	I82 Y231 N232	Q80-I82 HydrophobicContact CG-CG1 4.27Å; Q80-Y231 WeakPolarHBondContact O-CA 3.45Å; Q80-Y231 VanDerWaalsContact O-CB 3.31Å; Q80-Y231 WeakPolarHBondContact O-CB 3.32Å; Q80-N232 PolarHBondContact O-N 3.31Å
81	T	95.5	Very high	84.3	Confident	74 Å²	74	91.3 Å²	91.3	45%	0.454	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	126.7	166.4	-57.9	0	0	0	0	109.2	N232 Y234	T81-N232 CarbonylContact C-O 3.55Å; T81-N232 WeakPolarHBondContact CA-O 3.39Å; T81-N232 HydrophobicContact CG2-CB 4.24Å; T81-N232 PolarHBondContact OG1-ND2 3.29Å; T81-Y234 HydrophobicContact CG2-CD2 4.08Å
82	I	96.6	Very high	85.5	Confident	35 Å²	35	89.4 Å²	89.4	18%	0.179	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	133.8	179.7	-60.3	-173.4	0	0	0	109.3	Q80 Y231 N232 Y234	Q80-I82 HydrophobicContact CG-CG1 4.27Å; I82-Y231 HydrophobicContact CB-CD2 3.87Å; I82-Y231 HydrophobicContact CB-CE2 4.18Å; I82-Y231 HydrophobicContact CD1-CD1 3.66Å; I82-Y231 HydrophobicContact CD1-CD2 3.59Å; I82-Y231 HydrophobicContact CD1-CE1 3.94Å; I82-Y231 HydrophobicContact CD1-CE2 3.88Å; I82-Y231 HydrophobicContact CD1-CG 3.47Å; I82-Y231 VanDerWaalsContact CD1-CG 3.47Å; I82-Y231 HydrophobicContact CG1-CD2 3.77Å; I82-Y231 HydrophobicContact CG1-CE2 4.33Å; I82-Y231 HydrophobicContact CG1-CG 3.89Å; I82-N232 PolarHBondContact N-O 2.95Å; I82-Y234 WeakPolarHBondContact O-CB 3.32Å; I82-Y234 PolarHBondContact O-N 2.57Å
83	S	97.4	Very high	86.9	Confident	52 Å²	52	89.1 Å²	89.1	36%	0.364	46%	0.462	S	S	.	.			trans	-113	137.9	167	176.3	0	0	0	0	109.9	R85 D239	S83-R85 WeakPolarHBondContact OG-CD 3.44Å; S83-R85 VanDerWaalsContact OG-CG 3.24Å; S83-R85 WeakPolarHBondContact OG-CG 3.44Å; S83-R85 PolarHBondContact OG-N 2.93Å; S83-D239 VanDerWaalsContact C-OD1 3.3Å; S83-D239 WeakPolarHBondContact CA-OD1 3.5Å; S83-D239 WeakPolarHBondContact CB-OD1 3.46Å; S83-D239 PolarHBondContact OG-OD1 3.49Å; S83-D239 PolarHBondContact OG-OD2 3.45Å
84	H	96.8	Very high	88.2	Confident	16 Å²	16	89.5 Å²	89.5	7%	0.074	47%	0.467	C	S	.	.			trans	-99.4	15.7	175.6	-58.2	-53.1	0	0	0	112.5	N86 V87 D239 K242 E243 M246	H84-N86 PolarHBondContact O-N 3.46Å; H84-V87 HydrophobicContact CB-CB 4.34Å; H84-V87 HydrophobicContact CB-CG2 4.01Å; H84-V87 WeakPolarHBondContact O-CB 3.37Å; H84-V87 PolarHBondContact O-N 3.34Å; H84-D239 WeakPolarHBondContact CA-OD1 3.35Å; H84-D239 PolarHBondContact CD2-O 3.05Å; H84-D239 PolarHBondContact N-OD1 3.4Å; H84-K242 HydrophobicContact CB-CB 3.8Å; H84-K242 HydrophobicContact CB-CD 3.84Å; H84-K242 HydrophobicContact CB-CG 4.49Å; H84-K242 VanDerWaalsContact O-CD 3.32Å; H84-K242 WeakPolarHBondContact O-CD 3.03Å; H84-K242 PolarHBondContact O-NZ 2.92Å; H84-K242 VanDerWaalsContact O-NZ 3.12Å; H84-E243 IonicContact CD2-OE2 3.18Å; H84-E243 IonicContact CE1-OE2 3.86Å; H84-E243 PolarHBondContact CE1-OE2 2.87Å; H84-E243 IonicContact NE2-OE2 2.83Å; H84-E243 PolarHBondContact NE2-OE2 3.34Å; H84-M246 HydrophobicContact CB-CE 4.35Å
85	R	94.2	Very high	89.6	Confident	141 Å²	141	90.2 Å²	90.2	53%	0.532	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-38.8	176.2	-78.3	172.6	-174.9	-167.2	-1.8	113.2	S83 V87 D239	S83-R85 WeakPolarHBondContact OG-CD 3.44Å; S83-R85 VanDerWaalsContact OG-CG 3.24Å; S83-R85 WeakPolarHBondContact OG-CG 3.44Å; S83-R85 PolarHBondContact OG-N 2.93Å; R85-V87 VanDerWaalsContact C-N 3.31Å; R85-V87 PolarHBondContact O-N 3.46Å; R85-D239 PolarHBondContact N-OD1 3.43Å; R85-D239 IonicContact NE-OD2 3.82Å
86	N	95.4	Very high	91.4	Very high	168 Å²	168	89.2 Å²	89.2	90%	0.898	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-6.3	179.7	-64.4	-21.5	0	0	0	113.9	H84 N88	H84-N86 PolarHBondContact O-N 3.46Å; N86-N88 PolarHBondContact O-N 2.72Å
87	V	95.8	Very high	93.4	Very high	47 Å²	47	87.9 Å²	87.9	29%	0.285	44%	0.44	S	S	.	.			trans	-78.1	113.4	175.2	-179.9	0	0	0	0	108.2	H84 R85 M89 K242 M246	H84-V87 HydrophobicContact CB-CB 4.34Å; H84-V87 HydrophobicContact CB-CG2 4.01Å; H84-V87 WeakPolarHBondContact O-CB 3.37Å; H84-V87 PolarHBondContact O-N 3.34Å; R85-V87 VanDerWaalsContact C-N 3.31Å; R85-V87 PolarHBondContact O-N 3.46Å; V87-M89 HydrophobicContact CG1-CB 4.08Å; V87-M89 HydrophobicContact CG1-CE 4.27Å; V87-M89 PolarHBondContact O-N 3.17Å; V87-M89 VanDerWaalsContact O-N 3.1Å; V87-K242 HydrophobicContact CB-CD 4.45Å; V87-K242 PolarHBondContact O-NZ 3.42Å; V87-M246 HydrophobicContact CG1-CE 4.49Å; V87-M246 HydrophobicContact CG1-SD 3.91Å; V87-M246 HydrophobicContact CG2-CE 4.42Å
88	N	95.5	Very high	95.4	Very high	166 Å²	166	80.5 Å²	80.5	89%	0.888	41%	0.406	S	S	*	.			trans	-76.7	93.8	174.7	-173.2	19.7	0	0	0	109.8	N86	N86-N88 PolarHBondContact O-N 2.72Å
89	M	94.6	Very high	96.4	Very high	63 Å²	63	76 Å²	76	31%	0.31	40%	0.398	S	S	.	.			trans	-142.5	130.6	-177.9	178.7	174.1	-63.1	0	0	109.7	V87 I91 L245 M246	V87-M89 HydrophobicContact CG1-CB 4.08Å; V87-M89 HydrophobicContact CG1-CE 4.27Å; V87-M89 PolarHBondContact O-N 3.17Å; V87-M89 VanDerWaalsContact O-N 3.1Å; M89-I91 PolarHBondContact O-N 2.98Å; M89-L245 HydrophobicContact SD-CB 3.82Å; M89-L245 HydrophobicContact SD-CD1 4.01Å; M89-L245 HydrophobicContact SD-CG 4.48Å; M89-M246 HydrophobicContact CE-CG 3.34Å; M89-M246 HydrophobicContact CE-SD 3.77Å; M89-M246 HydrophobicContact SD-CG 4.05Å
90	V	96.5	Very high	96.9	Very high	133 Å²	133	79.6 Å²	79.6	81%	0.806	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-77.6	119.5	173.3	-179.7	0	0	0	0	108.6	P92	V90-P92 WeakPolarHBondContact O-CD 3.49Å
91	I	98.1	Very high	97.1	Very high	41 Å²	41	75.9 Å²	75.9	21%	0.21	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-86	117.3	177.8	-59.2	172.2	0	0	0	108.2	M89 E238 Q241 K242 L245 W287	M89-I91 PolarHBondContact O-N 2.98Å; I91-E238 HydrophobicContact CD1-CB 3.77Å; I91-E238 HydrophobicContact CD1-CG 3.87Å; I91-Q241 HydrophobicContact CD1-CB 4.08Å; I91-Q241 HydrophobicContact CG2-CB 3.85Å; I91-Q241 HydrophobicContact CG2-CG 4.17Å; I91-K242 HydrophobicContact CD1-CG 3.97Å; I91-K242 HydrophobicContact CG1-CG 4.09Å; I91-L245 HydrophobicContact CG1-CD1 4.37Å; I91-L245 HydrophobicContact CG2-CD1 4.33Å; I91-W287 HydrophobicContact CG2-CH2 4.49Å; I91-W287 HydrophobicContact CG2-CZ2 3.64Å
92	P	98.3	Very high	97.2	Very high	52 Å²	52	76.6 Å²	76.6	34%	0.338	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-65.8	152.5	175.5	29.5	-35.9	0	0	0	111.1	V90 T94 F95 L245 W287	V90-P92 WeakPolarHBondContact O-CD 3.49Å; P92-T94 PolarHBondContact O-N 2.84Å; P92-F95 HydrophobicContact CG-CB 4.36Å; P92-L245 HydrophobicContact CG-CD2 4.14Å; P92-W287 HydrophobicContact CG-CZ2 4.24Å; P92-W287 PolarHBondContact O-NE1 3.31Å
93	H	97.6	Very high	97.2	Very high	145 Å²	145	81 Å²	81	67%	0.671	42%	0.423	S	S	*	.	S	Bend	trans	-61	-31.2	178.1	-71.8	-61.9	0	0	0	113.2	Y289	H93-Y289 HydrophobicContact CB-CD2 4.46Å; H93-Y289 HydrophobicContact CB-CE2 4.13Å; H93-Y289 WeakPolarHBondContact O-CD2 3.36Å; H93-Y289 VanDerWaalsContact O-CE2 3.25Å; H93-Y289 WeakPolarHBondContact O-CE2 3.34Å
94	T	98.6	Very high	97.3	Very high	88 Å²	88	78.7 Å²	78.7	54%	0.54	41%	0.407	S	S	.	.			trans	-132.9	142.6	178	56.9	0	0	0	0	109.6	P92 W287	P92-T94 PolarHBondContact O-N 2.84Å; T94-W287 WeakPolarHBondContact CA-O 3.42Å
95	F	98.8	Very high	97.3	Very high	19 Å²	19	81.1 Å²	81.1	8%	0.083	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	136.4	175.4	-178.5	-96.4	0	0	0	109.6	P92 A97 H100 W101 I244 L245 G286 W287	P92-F95 HydrophobicContact CG-CB 4.36Å; F95-A97 HydrophobicContact CE1-CB 4.1Å; F95-H100 HydrophobicContact CE2-CB 3.64Å; F95-H100 AromaticContact CE2-CD2 3.83Å; F95-H100 AromaticContact CE2-CG 3.5Å; F95-H100 AromaticContact CE2-ND1 3.88Å; F95-H100 HydrophobicContact CZ-CB 3.69Å; F95-H100 AromaticContact CZ-CD2 3.86Å; F95-H100 AromaticContact CZ-CG 3.79Å; F95-W101 HydrophobicContact CE1-CH2 4.2Å; F95-W101 AromaticContact CE1-CZ3 3.8Å; F95-W101 HydrophobicContact CE1-CZ3 3.8Å; F95-W101 HydrophobicContact CZ-CE3 4.33Å; F95-W101 AromaticContact CZ-CH2 3.59Å; F95-W101 HydrophobicContact CZ-CH2 3.59Å; F95-W101 AromaticContact CZ-CZ3 3.43Å; F95-W101 HydrophobicContact CZ-CZ3 3.43Å; F95-W101 VanDerWaalsContact CZ-CZ3 3.43Å; F95-I244 HydrophobicContact CD1-CG2 3.95Å; F95-I244 HydrophobicContact CE1-CG2 3.65Å; F95-L245 HydrophobicContact CD2-CD2 3.52Å; F95-L245 HydrophobicContact CD2-CG 4.41Å; F95-L245 HydrophobicContact CE2-CD2 3.58Å; F95-L245 HydrophobicContact CE2-CG 4.47Å; F95-L245 HydrophobicContact CG-CD2 4.21Å; F95-L245 HydrophobicContact CZ-CD2 4.32Å; F95-G286 CarbonylContact O-C 3.46Å; F95-G286 WeakPolarHBondContact O-CA 3.32Å; F95-W287 HydrophobicContact CB-CD2 3.75Å; F95-W287 VanDerWaalsContact CB-CE2 3.46Å; F95-W287 HydrophobicContact CB-CE3 3.93Å; F95-W287 HydrophobicContact CB-CH2 3.78Å; F95-W287 HydrophobicContact CB-CZ2 3.48Å; F95-W287 VanDerWaalsContact CB-CZ2 3.48Å; F95-W287 HydrophobicContact CB-CZ3 3.93Å; F95-W287 HydrophobicContact CD1-CE3 4.21Å; F95-W287 HydrophobicContact CD1-CH2 4.11Å; F95-W287 AromaticContact CD1-CZ3 3.8Å; F95-W287 HydrophobicContact CD1-CZ3 3.8Å; F95-W287 HydrophobicContact CG-CE3 4.45Å; F95-W287 AromaticContact CG-CH2 3.96Å; F95-W287 HydrophobicContact CG-CH2 3.96Å; F95-W287 HydrophobicContact CG-CZ2 4.12Å; F95-W287 HydrophobicContact CG-CZ3 4.07Å; F95-W287 PolarHBondContact N-O 3.38Å; F95-W287 PolarHBondContact O-N 3.03Å; F95-W287 VanDerWaalsContact O-O 3.08Å
96	D	98.7	Very high	97.4	Very high	27 Å²	27	74.5 Å²	74.5	14%	0.144	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	115.6	172.6	-167	-38.1	0	0	0	108.7	R98 D99 H100 L297	D96-R98 PolarHBondContact O-N 3.32Å; D96-R98 VanDerWaalsContact O-N 3.09Å; D96-R98 VanDerWaalsContact OD1-CB 3.23Å; D96-R98 WeakPolarHBondContact OD1-CB 3.36Å; D96-R98 VanDerWaalsContact OD1-CG 3.31Å; D96-R98 WeakPolarHBondContact OD1-CG 3.13Å; D96-R98 IonicContact OD1-CZ 3.03Å; D96-R98 PolarHBondContact OD1-N 3.4Å; D96-R98 IonicContact OD1-NE 2.65Å; D96-R98 PolarHBondContact OD1-NE 2.82Å; D96-R98 IonicContact OD1-NH2 3.31Å; D96-R98 IonicContact OD2-CZ 3.84Å; D96-R98 VanDerWaalsContact OD2-CZ 3.31Å; D96-R98 IonicContact OD2-NE 2.92Å; D96-R98 PolarHBondContact OD2-NE 3.45Å; D96-R98 IonicContact OD2-NH2 3.91Å; D96-R98 PolarHBondContact OD2-NH2 3.35Å; D96-D99 HydrophobicContact CB-CB 4.47Å; D96-D99 PolarHBondContact O-N 3.42Å; D96-H100 PolarHBondContact O-N 2.7Å; D96-H100 VanDerWaalsContact O-N 3.08Å; D96-L297 VanDerWaalsContact OD2-CD2 3.27Å; D96-L297 WeakPolarHBondContact OD2-CD2 3.49Å
97	A	98.8	Very high	97.5	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-57.3	-26.6	-179.2	0	0	0	0	0	112.9	F95 D99 H100 W101 I107 P249 I285	F95-A97 HydrophobicContact CE1-CB 4.1Å; A97-D99 VanDerWaalsContact C-N 3.3Å; A97-D99 PolarHBondContact O-N 2.61Å; A97-H100 PolarHBondContact O-N 3.28Å; A97-W101 HydrophobicContact CB-CE3 3.67Å; A97-W101 HydrophobicContact CB-CZ3 3.6Å; A97-W101 PolarHBondContact O-N 3.43Å; A97-I107 HydrophobicContact CB-CD1 4.29Å; A97-I107 HydrophobicContact CB-CG2 3.72Å; A97-P249 HydrophobicContact CB-CG 3.98Å; A97-I285 HydrophobicContact CB-CB 4.24Å; A97-I285 WeakPolarHBondContact CB-O 3.42Å; A97-I285 PolarHBondContact N-O 3.19Å
98	R	98.5	Very high	97.6	Very high	60 Å²	60	69.3 Å²	69.3	23%	0.226	37%	0.366	C	S	.	.	H	α-helix	trans	-69.7	-30.1	-179.9	-59.1	172.8	-64.5	174.8	6.2	112.6	D96 I107 K108 I285 Y311	D96-R98 PolarHBondContact O-N 3.32Å; D96-R98 VanDerWaalsContact O-N 3.09Å; D96-R98 VanDerWaalsContact OD1-CB 3.23Å; D96-R98 WeakPolarHBondContact OD1-CB 3.36Å; D96-R98 VanDerWaalsContact OD1-CG 3.31Å; D96-R98 WeakPolarHBondContact OD1-CG 3.13Å; D96-R98 IonicContact OD1-CZ 3.03Å; D96-R98 PolarHBondContact OD1-N 3.4Å; D96-R98 IonicContact OD1-NE 2.65Å; D96-R98 PolarHBondContact OD1-NE 2.82Å; D96-R98 IonicContact OD1-NH2 3.31Å; D96-R98 IonicContact OD2-CZ 3.84Å; D96-R98 VanDerWaalsContact OD2-CZ 3.31Å; D96-R98 IonicContact OD2-NE 2.92Å; D96-R98 PolarHBondContact OD2-NE 3.45Å; D96-R98 IonicContact OD2-NH2 3.91Å; D96-R98 PolarHBondContact OD2-NH2 3.35Å; R98-I107 HydrophobicContact CB-CG2 4.49Å; R98-I107 HydrophobicContact CG-CB 4.27Å; R98-I107 HydrophobicContact CG-CG2 3.59Å; R98-K108 HydrophobicContact CB-CG 4.08Å; R98-K108 HydrophobicContact CG-CG 3.87Å; R98-I285 HydrophobicContact CG-CD1 4.04Å; R98-Y311 VanDerWaalsContact NH1-CZ 3.28Å; R98-Y311 PolarHBondContact NH1-OH 3.21Å
99	D	98.1	Very high	97.7	Very high	120 Å²	120	63.8 Å²	63.8	64%	0.642	34%	0.335	S	S	*	.	H	α-helix	trans	-91.4	-26.1	178.9	-61.2	-27.1	0	0	0	111.1	D96 A97 V102	D96-D99 HydrophobicContact CB-CB 4.47Å; D96-D99 PolarHBondContact O-N 3.42Å; A97-D99 VanDerWaalsContact C-N 3.3Å; A97-D99 PolarHBondContact O-N 2.61Å; D99-V102 VanDerWaalsContact O-CG1 3.27Å; D99-V102 WeakPolarHBondContact O-CG1 3.24Å
100	H	98	Very high	97.8	Very high	107 Å²	107	61.5 Å²	61.5	50%	0.495	32%	0.324	S	S	.	.	H	α-helix	trans	-80	-47.2	178.5	-165	68	0	0	0	112.7	F95 D96 A97	F95-H100 HydrophobicContact CE2-CB 3.64Å; F95-H100 AromaticContact CE2-CD2 3.83Å; F95-H100 AromaticContact CE2-CG 3.5Å; F95-H100 AromaticContact CE2-ND1 3.88Å; F95-H100 HydrophobicContact CZ-CB 3.69Å; F95-H100 AromaticContact CZ-CD2 3.86Å; F95-H100 AromaticContact CZ-CG 3.79Å; D96-H100 PolarHBondContact O-N 2.7Å; D96-H100 VanDerWaalsContact O-N 3.08Å; A97-H100 PolarHBondContact O-N 3.28Å
101	W	98.2	Very high	97.8	Very high	39 Å²	39	55.9 Å²	55.9	15%	0.148	29%	0.289	C	S	.	.	S	Bend	trans	-107.4	66.4	176.9	-62.6	-77.7	0	0	0	110.9	F95 A97 N103 C104 I107 I134 I244	F95-W101 HydrophobicContact CE1-CH2 4.2Å; F95-W101 AromaticContact CE1-CZ3 3.8Å; F95-W101 HydrophobicContact CE1-CZ3 3.8Å; F95-W101 HydrophobicContact CZ-CE3 4.33Å; F95-W101 AromaticContact CZ-CH2 3.59Å; F95-W101 HydrophobicContact CZ-CH2 3.59Å; F95-W101 AromaticContact CZ-CZ3 3.43Å; F95-W101 HydrophobicContact CZ-CZ3 3.43Å; F95-W101 VanDerWaalsContact CZ-CZ3 3.43Å; A97-W101 HydrophobicContact CB-CE3 3.67Å; A97-W101 HydrophobicContact CB-CZ3 3.6Å; A97-W101 PolarHBondContact O-N 3.43Å; W101-N103 PolarHBondContact O-N 3.43Å; W101-C104 HydrophobicContact CB-CB 4.12Å; W101-C104 PolarHBondContact O-N 3.39Å; W101-I107 HydrophobicContact CB-CD1 3.75Å; W101-I107 HydrophobicContact CE3-CD1 4.18Å; W101-I134 HydrophobicContact CB-CG1 4.23Å; W101-I134 HydrophobicContact CD2-CD1 3.61Å; W101-I134 HydrophobicContact CD2-CG1 3.73Å; W101-I134 HydrophobicContact CD2-CG2 4.49Å; W101-I134 HydrophobicContact CE3-CD1 3.71Å; W101-I134 HydrophobicContact CE3-CG1 4.32Å; W101-I134 HydrophobicContact CG-CD1 4.09Å; W101-I134 HydrophobicContact CG-CG1 3.68Å; W101-I134 HydrophobicContact CH2-CD1 4.4Å; W101-I134 HydrophobicContact CZ2-CD1 4.28Å; W101-I134 HydrophobicContact CZ2-CG2 4.15Å; W101-I134 HydrophobicContact CZ3-CD1 4.1Å; W101-I244 WeakPolarHBondContact CH2-O 3.47Å
102	V	97.3	Very high	97.8	Very high	89 Å²	89	54.3 Å²	54.3	54%	0.539	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-27.4	-174.6	-62.5	0	0	0	0	114.3	D99 C104	D99-V102 VanDerWaalsContact O-CG1 3.27Å; D99-V102 WeakPolarHBondContact O-CG1 3.24Å; V102-C104 VanDerWaalsContact C-N 3.29Å; V102-C104 PolarHBondContact O-N 3.3Å
103	N	96.9	Very high	97.6	Very high	129 Å²	129	51.9 Å²	51.9	69%	0.69	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-7.1	178.9	-64.4	-21.8	0	0	0	113.4	W101	W101-N103 PolarHBondContact O-N 3.43Å
104	C	98.1	Very high	97.4	Very high	3 Å²	3	45 Å²	45	2%	0.02	23%	0.233	C	C	.	.			trans	-103.1	84.5	-180	-65.7	0	0	0	0	111.3	W101 V102 T106 I107 C133	W101-C104 HydrophobicContact CB-CB 4.12Å; W101-C104 PolarHBondContact O-N 3.39Å; V102-C104 VanDerWaalsContact C-N 3.29Å; V102-C104 PolarHBondContact O-N 3.3Å; C104-T106 PolarHBondContact O-N 2.81Å; C104-I107 HydrophobicContact CB-CD1 3.68Å; C104-I107 HydrophobicContact CB-CG1 4.07Å; C104-I107 WeakPolarHBondContact O-CG1 3.17Å; C104-I107 PolarHBondContact O-N 3.01Å; C104-C133 WeakPolarHBondContact CA-SG 3.3Å; C104-C133 HydrophobicContact CB-CB 3.71Å; C104-C133 WeakPolarHBondContact CB-SG 3.26Å; C104-C133 WeakPolarHBondContact SG-CB 3.43Å; C104-C133 CovalentContact SG-SG 2.04Å; C104-C133 PolarHBondContact SG-SG 2.82Å
105	S	96.2	Very high	97	Very high	67 Å²	67	40.9 Å²	40.9	47%	0.469	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-63.6	-23	-175.9	54.4	0	0	0	0	114.2	I107 K108	S105-I107 PolarHBondContact O-N 3.36Å; S105-K108 PolarHBondContact O-N 3.38Å; S105-K108 VanDerWaalsContact O-N 3.1Å
106	T	97.3	Very high	96.6	Very high	2 Å²	2	40 Å²	40	1%	0.012	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-59.6	-28.3	177.7	60	0	0	0	0	112.8	C104 K108 Q109 D130 R283	C104-T106 PolarHBondContact O-N 2.81Å; T106-K108 PolarHBondContact O-N 3.32Å; T106-Q109 WeakPolarHBondContact O-CB 3.27Å; T106-Q109 PolarHBondContact O-N 3.39Å; T106-Q109 VanDerWaalsContact O-N 3.11Å; T106-D130 VanDerWaalsContact CB-OD1 3.3Å; T106-D130 WeakPolarHBondContact CB-OD1 3.43Å; T106-D130 WeakPolarHBondContact OG1-CA 3.34Å; T106-D130 PolarHBondContact OG1-OD1 2.77Å; T106-R283 PolarHBondContact O-NH1 3.48Å; T106-R283 VanDerWaalsContact O-NH1 3.1Å
107	I	98.4	Very high	96.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-65.1	-29.7	179.9	-53.2	171.6	0	0	0	110.6	A97 R98 W101 C104 S105 D130 I134 P249 R283 I285	A97-I107 HydrophobicContact CB-CD1 4.29Å; A97-I107 HydrophobicContact CB-CG2 3.72Å; R98-I107 HydrophobicContact CB-CG2 4.49Å; R98-I107 HydrophobicContact CG-CB 4.27Å; R98-I107 HydrophobicContact CG-CG2 3.59Å; W101-I107 HydrophobicContact CB-CD1 3.75Å; W101-I107 HydrophobicContact CE3-CD1 4.18Å; C104-I107 HydrophobicContact CB-CD1 3.68Å; C104-I107 HydrophobicContact CB-CG1 4.07Å; C104-I107 WeakPolarHBondContact O-CG1 3.17Å; C104-I107 PolarHBondContact O-N 3.01Å; S105-I107 PolarHBondContact O-N 3.36Å; I107-D130 VanDerWaalsContact CA-OD1 3.27Å; I107-D130 WeakPolarHBondContact CA-OD1 3.35Å; I107-D130 HydrophobicContact CG1-CB 3.93Å; I107-D130 WeakPolarHBondContact CG1-OD1 3.33Å; I107-D130 PolarHBondContact N-OD1 3.24Å; I107-I134 HydrophobicContact CD1-CD1 4.28Å; I107-P249 HydrophobicContact CG2-CG 4.28Å; I107-R283 PolarHBondContact O-NH2 3.21Å; I107-I285 HydrophobicContact CG2-CB 4.5Å; I107-I285 HydrophobicContact CG2-CG2 4.33Å
108	K	97.6	Very high	96.1	Very high	105 Å²	105	38.9 Å²	38.9	46%	0.457	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-84.9	-10.7	-179.7	-61.3	176.5	-179.8	173.7	0	113.1	R98 S105 T106	R98-K108 HydrophobicContact CB-CG 4.08Å; R98-K108 HydrophobicContact CG-CG 3.87Å; S105-K108 PolarHBondContact O-N 3.38Å; S105-K108 VanDerWaalsContact O-N 3.1Å; T106-K108 PolarHBondContact O-N 3.32Å
109	Q	96.6	Very high	95.9	Very high	50 Å²	50	36.2 Å²	36.2	23%	0.234	19%	0.188	C	C	.	.			trans	-72.7	137	-177.3	-67.2	179	-25	0	0	111	T106 R283	T106-Q109 WeakPolarHBondContact O-CB 3.27Å; T106-Q109 PolarHBondContact O-N 3.39Å; T106-Q109 VanDerWaalsContact O-N 3.11Å; Q109-R283 PolarHBondContact O-NH2 3.26Å
110	I	97.7	Very high	95.7	Very high	16 Å²	16	30.8 Å²	30.8	8%	0.082	16%	0.159	C	C	.	.			trans	-126.3	126.1	173	-66.7	-62.8	0	0	0	106.2	A299 K304 Y311	I110-A299 HydrophobicContact CD1-CB 3.7Å; I110-K304 HydrophobicContact CB-CG 3.92Å; I110-K304 HydrophobicContact CG1-CG 4.46Å; I110-K304 HydrophobicContact CG2-CG 3.88Å; I110-Y311 HydrophobicContact CD1-CD1 4.35Å; I110-Y311 HydrophobicContact CD1-CD2 4.32Å; I110-Y311 HydrophobicContact CD1-CE1 3.92Å; I110-Y311 HydrophobicContact CD1-CE2 3.89Å; I110-Y311 HydrophobicContact CG1-CE2 3.88Å
111	H	96.7	Very high	95.6	Very high	14 Å²	14	25.7 Å²	25.7	7%	0.065	14%	0.135	C	C	.	.			trans	-106.4	168.7	-178.9	-66	-67	0	0	0	111.5	F122 N126 Q143 S301 W302 S303	H111-F122 HydrophobicContact CB-CD1 3.54Å; H111-F122 HydrophobicContact CB-CE1 3.46Å; H111-F122 VanDerWaalsContact CB-CE1 3.46Å; H111-F122 HydrophobicContact CB-CG 4.36Å; H111-F122 HydrophobicContact CB-CZ 4.23Å; H111-F122 AromaticContact CG-CD1 3.84Å; H111-F122 AromaticContact CG-CE1 3.72Å; H111-N126 PolarHBondContact CD2-ND2 3.01Å; H111-N126 PolarHBondContact CD2-OD1 3.18Å; H111-N126 VanDerWaalsContact CD2-OD1 3.26Å; H111-Q143 PolarHBondContact CE1-NE2 2.83Å; H111-S301 CarbonylContact O-C 3.57Å; H111-S301 WeakPolarHBondContact O-CA 3.31Å; H111-W302 PolarHBondContact O-N 3.11Å; H111-S303 PolarHBondContact O-N 3.19Å
112	D	96.6	Very high	95.5	Very high	9 Å²	9	24.1 Å²	24.1	5%	0.048	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	-123.8	123.6	170	-165.4	-3.4	0	0	0	109.1	R54 C114 R194 Y195 S301	R54-D112 IonicContact CZ-OD1 2.57Å; R54-D112 IonicContact NH1-OD1 2.87Å; R54-D112 PolarHBondContact NH1-OD1 2.93Å; R54-D112 IonicContact NH1-OD2 3.41Å; R54-D112 IonicContact NH2-OD1 3.57Å; R54-D112 PolarHBondContact NH2-OD1 3.14Å; D112-C114 WeakPolarHBondContact OD1-CA 3.43Å; D112-C114 PolarHBondContact OD1-N 3.25Å; D112-R194 HydrophobicContact CB-CB 4.32Å; D112-R194 HydrophobicContact CB-CG 3.78Å; D112-R194 WeakPolarHBondContact OD2-CA 3.45Å; D112-Y195 PolarHBondContact OD2-N 3.4Å; D112-S301 CarbonylContact C-O 3.54Å; D112-S301 VanDerWaalsContact CA-O 3.32Å; D112-S301 WeakPolarHBondContact CA-O 3.16Å
113	E	94.7	Very high	95.6	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.005	11%	0.106	C	C	.	.			trans	-79.7	-5	172.2	71	-178.2	175.7	0	0	113.1	L64 C115 C116 A118 D119 F122 Y190 S301 W302	L64-E113 HydrophobicContact CD2-CG 4.06Å; L64-E113 VanDerWaalsContact CD2-OE1 3.27Å; L64-E113 WeakPolarHBondContact CD2-OE1 3.21Å; E113-C115 PolarHBondContact O-N 3.48Å; E113-C116 VanDerWaalsContact CB-O 3.32Å; E113-C116 WeakPolarHBondContact CB-O 3.16Å; E113-C116 VanDerWaalsContact CG-O 3.31Å; E113-C116 WeakPolarHBondContact CG-O 3.29Å; E113-C116 WeakPolarHBondContact O-CB 3.29Å; E113-C116 PolarHBondContact O-N 2.97Å; E113-A118 HydrophobicContact CB-CB 4.15Å; E113-A118 VanDerWaalsContact OE2-C 3.29Å; E113-A118 PolarHBondContact OE2-N 2.82Å; E113-D119 WeakPolarHBondContact OE2-CA 3.31Å; E113-D119 WeakPolarHBondContact OE2-CB 3.22Å; E113-D119 PolarHBondContact OE2-N 3.24Å; E113-F122 HydrophobicContact CB-CD2 3.88Å; E113-F122 HydrophobicContact CB-CE2 3.79Å; E113-Y190 PolarHBondContact O-OH 3.5Å; E113-S301 WeakPolarHBondContact CG-O 3.03Å; E113-S301 PolarHBondContact N-O 3.3Å; E113-W302 VanDerWaalsContact OE1-CD1 3.22Å; E113-W302 PolarHBondContact OE1-NE1 3.45Å
114	C	93.4	Very high	95.6	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	-123.3	-170.7	-171.7	0	0	0	0	112	R54 L64 D112 C198 Y203	R54-C114 PolarHBondContact NH2-O 2.92Å; L64-C114 WeakPolarHBondContact CD2-O 3.28Å; D112-C114 WeakPolarHBondContact OD1-CA 3.43Å; D112-C114 PolarHBondContact OD1-N 3.25Å; C114-C198 HydrophobicContact CB-CB 3.99Å; C114-C198 WeakPolarHBondContact CB-SG 3.34Å; C114-C198 WeakPolarHBondContact SG-CB 3.41Å; C114-C198 CovalentContact SG-SG 1.96Å; C114-C198 PolarHBondContact SG-SG 3.32Å; C114-Y203 HydrophobicContact CB-CE1 4.41Å; C114-Y203 PolarHBondContact SG-OH 2.83Å
115	C	90.7	Very high	95.6	Very high	2 Å²	2	13.9 Å²	13.9	1%	0.014	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.2	14.3	172.3	-41.8	0	0	0	0	111.9	K63 E113 F159 Y203	K63-C115 HydrophobicContact CB-CB 4.1Å; K63-C115 HydrophobicContact CD-CB 3.57Å; E113-C115 PolarHBondContact O-N 3.48Å; C115-F159 VanDerWaalsContact O-CE1 3.3Å; C115-F159 WeakPolarHBondContact O-CE1 3.4Å; C115-Y203 WeakPolarHBondContact CA-OH 3.31Å; C115-Y203 HydrophobicContact CB-CE1 4.44Å; C115-Y203 HydrophobicContact CB-CE2 3.75Å; C115-Y203 WeakPolarHBondContact CB-OH 3.27Å; C115-Y203 PolarHBondContact N-OH 2.87Å; C115-Y203 PolarHBondContact SG-OH 3.39Å; C115-Y203 VanDerWaalsContact SG-OH 3.39Å
116	C	91.2	Very high	95.7	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.053	C	C	.	.	S	Bend	trans	-81	119.9	162.8	-173.8	0	0	0	0	106.9	E113 A118 C158 Y190 F192 Y203	E113-C116 VanDerWaalsContact CB-O 3.32Å; E113-C116 WeakPolarHBondContact CB-O 3.16Å; E113-C116 VanDerWaalsContact CG-O 3.31Å; E113-C116 WeakPolarHBondContact CG-O 3.29Å; E113-C116 WeakPolarHBondContact O-CB 3.29Å; E113-C116 PolarHBondContact O-N 2.97Å; C116-A118 VanDerWaalsContact C-N 3.26Å; C116-A118 HydrophobicContact CB-CB 4.44Å; C116-A118 PolarHBondContact O-N 3.34Å; C116-C158 HydrophobicContact CB-CB 3.98Å; C116-C158 WeakPolarHBondContact CB-SG 3.12Å; C116-C158 VanDerWaalsContact SG-CA 3.54Å; C116-C158 WeakPolarHBondContact SG-CB 3.39Å; C116-C158 CovalentContact SG-SG 2.04Å; C116-C158 PolarHBondContact SG-SG 3.26Å; C116-Y190 WeakPolarHBondContact CB-OH 3.38Å; C116-F192 HydrophobicContact CB-CD2 4.19Å; C116-F192 HydrophobicContact CB-CE2 4.17Å; C116-Y203 HydrophobicContact CB-CD1 3.84Å; C116-Y203 HydrophobicContact CB-CE1 3.98Å
117	R	91.6	Very high	95.8	Very high	4 Å²	4	11.2 Å²	11.2	2%	0.015	5%	0.053	C	C	.	.			trans	-71.5	85.9	173.4	-176.6	-159.8	86.1	-176	14.3	109.1	L64 K66 N67 D119 W120 F159 G161	L64-R117 WeakPolarHBondContact O-CD 3.42Å; L64-R117 WeakPolarHBondContact O-CG 3.43Å; K66-R117 PolarHBondContact O-NH1 3.11Å; N67-R117 PolarHBondContact O-NH1 3.24Å; R117-D119 WeakPolarHBondContact CG-OD1 3.24Å; R117-W120 PolarHBondContact O-NE1 3.21Å; R117-F159 HydrophobicContact CB-CD1 3.84Å; R117-F159 HydrophobicContact CB-CE1 4.38Å; R117-F159 VanDerWaalsContact CZ-C 3.49Å; R117-F159 VanDerWaalsContact CZ-O 3.24Å; R117-F159 PolarHBondContact NH1-O 3.47Å; R117-F159 VanDerWaalsContact NH1-O 3.08Å; R117-F159 PolarHBondContact NH2-O 2.95Å; R117-G161 PolarHBondContact NH2-O 3.1Å
118	A	93.7	Very high	95.8	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.053	C	C	.	.			trans	-124.6	14.9	-171.5	0	0	0	0	0	112.6	E113 C116 W120 A121 F122 I150	E113-A118 HydrophobicContact CB-CB 4.15Å; E113-A118 VanDerWaalsContact OE2-C 3.29Å; E113-A118 PolarHBondContact OE2-N 2.82Å; C116-A118 VanDerWaalsContact C-N 3.26Å; C116-A118 HydrophobicContact CB-CB 4.44Å; C116-A118 PolarHBondContact O-N 3.34Å; A118-W120 PolarHBondContact O-N 2.84Å; A118-A121 WeakPolarHBondContact O-CA 3.43Å; A118-A121 WeakPolarHBondContact O-CB 3.24Å; A118-A121 PolarHBondContact O-N 2.89Å; A118-F122 HydrophobicContact CB-CD2 3.98Å; A118-F122 HydrophobicContact CB-CE2 4.07Å; A118-F122 WeakPolarHBondContact O-CD2 3.11Å; A118-F122 PolarHBondContact O-N 3.28Å; A118-I150 HydrophobicContact CB-CD1 3.58Å; A118-I150 HydrophobicContact CB-CG1 4.49Å
119	D	94.9	Very high	95.9	Very high	4 Å²	4	6.3 Å²	6.3	2%	0.021	3%	0.031	C	C	.	.	H	α-helix	trans	-54.3	-41.3	178.6	61.4	-68.5	0	0	0	111.5	E113 R117 A121 F122 A123 I280 N281	E113-D119 WeakPolarHBondContact OE2-CA 3.31Å; E113-D119 WeakPolarHBondContact OE2-CB 3.22Å; E113-D119 PolarHBondContact OE2-N 3.24Å; R117-D119 WeakPolarHBondContact CG-OD1 3.24Å; D119-A121 VanDerWaalsContact C-N 3.31Å; D119-A121 PolarHBondContact O-N 3.1Å; D119-F122 PolarHBondContact O-N 2.98Å; D119-A123 WeakPolarHBondContact O-CB 3.17Å; D119-A123 PolarHBondContact O-N 2.79Å; D119-I280 VanDerWaalsContact OD2-CA 3.25Å; D119-I280 WeakPolarHBondContact OD2-CA 3.19Å; D119-N281 PolarHBondContact OD2-N 3.44Å; D119-N281 PolarHBondContact OD2-OD1 3.23Å
120	W	93.7	Very high	96	Very high	6 Å²	6	3.9 Å²	3.9	2%	0.023	2%	0.02	C	C	.	.	H	α-helix	trans	-58.9	-38.2	172.8	57.3	-86	0	0	0	113.1	R117 A118 T124 V149 I150 H160 V166 N281	R117-W120 PolarHBondContact O-NE1 3.21Å; A118-W120 PolarHBondContact O-N 2.84Å; W120-T124 VanDerWaalsContact O-CB 3.28Å; W120-T124 WeakPolarHBondContact O-CB 3.4Å; W120-T124 PolarHBondContact O-OG1 2.99Å; W120-V149 HydrophobicContact CH2-CG1 4.26Å; W120-V149 HydrophobicContact CZ3-CG1 3.68Å; W120-I150 HydrophobicContact CH2-CG1 3.99Å; W120-I150 HydrophobicContact CZ2-CG1 4.07Å; W120-H160 WeakPolarHBondContact CZ2-O 3.47Å; W120-V166 HydrophobicContact CE3-CG2 3.36Å; W120-V166 HydrophobicContact CZ3-CG2 3.42Å; W120-V166 VanDerWaalsContact CZ3-CG2 3.42Å; W120-N281 VanDerWaalsContact CA-OD1 3.3Å; W120-N281 WeakPolarHBondContact CA-OD1 3.45Å; W120-N281 WeakPolarHBondContact CB-OD1 3.19Å
121	A	95.6	Very high	96	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-74.5	-52.7	176.2	0	0	0	0	0	110.1	A118 D119 T124 V125 V149 I150	A118-A121 WeakPolarHBondContact O-CA 3.43Å; A118-A121 WeakPolarHBondContact O-CB 3.24Å; A118-A121 PolarHBondContact O-N 2.89Å; D119-A121 VanDerWaalsContact C-N 3.31Å; D119-A121 PolarHBondContact O-N 3.1Å; A121-T124 PolarHBondContact O-N 3.47Å; A121-V125 WeakPolarHBondContact O-CG1 3.41Å; A121-V125 WeakPolarHBondContact O-CG2 2.97Å; A121-V125 PolarHBondContact O-N 3.37Å; A121-V149 HydrophobicContact CB-CG1 4.18Å; A121-I150 HydrophobicContact CB-CD1 4.12Å; A121-I150 HydrophobicContact CB-CG1 3.96Å
122	F	97.4	Very high	96.1	Very high	6 Å²	6	2.6 Å²	2.6	3%	0.026	1%	0.014	C	C	.	.	H	α-helix	trans	-61	-52.4	-177.7	-82.8	-70.3	0	0	0	112.8	H111 E113 A118 D119 T124 V125 N126 A146 Y190	H111-F122 HydrophobicContact CB-CD1 3.54Å; H111-F122 HydrophobicContact CB-CE1 3.46Å; H111-F122 VanDerWaalsContact CB-CE1 3.46Å; H111-F122 HydrophobicContact CB-CG 4.36Å; H111-F122 HydrophobicContact CB-CZ 4.23Å; H111-F122 AromaticContact CG-CD1 3.84Å; H111-F122 AromaticContact CG-CE1 3.72Å; E113-F122 HydrophobicContact CB-CD2 3.88Å; E113-F122 HydrophobicContact CB-CE2 3.79Å; A118-F122 HydrophobicContact CB-CD2 3.98Å; A118-F122 HydrophobicContact CB-CE2 4.07Å; A118-F122 WeakPolarHBondContact O-CD2 3.11Å; A118-F122 PolarHBondContact O-N 3.28Å; D119-F122 PolarHBondContact O-N 2.98Å; F122-T124 PolarHBondContact O-N 2.62Å; F122-V125 PolarHBondContact O-N 3.28Å; F122-N126 WeakPolarHBondContact O-CB 3.24Å; F122-N126 PolarHBondContact O-N 2.73Å; F122-N126 PolarHBondContact O-ND2 2.83Å; F122-A146 HydrophobicContact CD1-CB 3.95Å; F122-A146 HydrophobicContact CD2-CB 4.46Å; F122-A146 HydrophobicContact CE1-CB 3.68Å; F122-A146 HydrophobicContact CE2-CB 4.2Å; F122-A146 HydrophobicContact CG-CB 4.34Å; F122-A146 HydrophobicContact CZ-CB 3.83Å; F122-Y190 HydrophobicContact CE2-CD2 4.3Å; F122-Y190 HydrophobicContact CE2-CE1 4.05Å; F122-Y190 AromaticContact CE2-CE2 3.76Å; F122-Y190 HydrophobicContact CE2-CE2 3.76Å; F122-Y190 AromaticContact CE2-CZ 3.61Å; F122-Y190 AromaticContact CZ-CD1 3.92Å; F122-Y190 HydrophobicContact CZ-CD1 3.92Å; F122-Y190 AromaticContact CZ-CD2 3.74Å; F122-Y190 HydrophobicContact CZ-CD2 3.74Å; F122-Y190 AromaticContact CZ-CE1 3.83Å; F122-Y190 HydrophobicContact CZ-CE1 3.83Å; F122-Y190 AromaticContact CZ-CE2 3.68Å; F122-Y190 HydrophobicContact CZ-CE2 3.68Å; F122-Y190 AromaticContact CZ-CG 3.87Å; F122-Y190 HydrophobicContact CZ-CG 3.87Å; F122-Y190 AromaticContact CZ-CZ 3.72Å
123	A	97.8	Very high	96.2	Very high	6 Å²	6	2.1 Å²	2.1	5%	0.05	1%	0.011	C	C	.	.	H	α-helix	trans	-56.3	-37.5	179.1	0	0	0	0	0	111.3	D119 S127 I251 N281	D119-A123 WeakPolarHBondContact O-CB 3.17Å; D119-A123 PolarHBondContact O-N 2.79Å; A123-S127 WeakPolarHBondContact O-CB 3.34Å; A123-S127 PolarHBondContact O-N 3.28Å; A123-S127 PolarHBondContact O-OG 2.66Å; A123-I251 HydrophobicContact CB-CG2 4.24Å; A123-N281 HydrophobicContact CB-CB 3.66Å
124	T	97.8	Very high	96.4	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-73.1	-56.8	179.8	-53.8	0	0	0	0	112.6	W120 A121 F122 N126 S127 I128 E163 V166 L167 I251	W120-T124 VanDerWaalsContact O-CB 3.28Å; W120-T124 WeakPolarHBondContact O-CB 3.4Å; W120-T124 PolarHBondContact O-OG1 2.99Å; A121-T124 PolarHBondContact O-N 3.47Å; F122-T124 PolarHBondContact O-N 2.62Å; T124-N126 VanDerWaalsContact C-N 3.27Å; T124-N126 PolarHBondContact O-N 3.28Å; T124-S127 PolarHBondContact O-N 3.12Å; T124-I128 HydrophobicContact CG2-CD1 3.8Å; T124-I128 HydrophobicContact CG2-CG1 4.47Å; T124-I128 WeakPolarHBondContact O-CG1 3.01Å; T124-I128 PolarHBondContact O-N 3.34Å; T124-E163 VanDerWaalsContact OG1-CB 3.3Å; T124-E163 WeakPolarHBondContact OG1-CB 3.41Å; T124-V166 HydrophobicContact CG2-CB 3.77Å; T124-V166 HydrophobicContact CG2-CG1 3.51Å; T124-L167 HydrophobicContact CG2-CD2 3.69Å; T124-L167 HydrophobicContact CG2-CG 3.86Å; T124-I251 HydrophobicContact CG2-CD1 3.81Å
125	V	98.3	Very high	96.6	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-63.7	-34.2	-177.6	-59	0	0	0	0	111.8	A121 F122 I128 S129 L144 A146 V149 V166 I175	A121-V125 WeakPolarHBondContact O-CG1 3.41Å; A121-V125 WeakPolarHBondContact O-CG2 2.97Å; A121-V125 PolarHBondContact O-N 3.37Å; F122-V125 PolarHBondContact O-N 3.28Å; V125-I128 PolarHBondContact O-N 3Å; V125-S129 WeakPolarHBondContact O-CB 3.39Å; V125-S129 PolarHBondContact O-N 2.04Å; V125-S129 PolarHBondContact O-OG 3.01Å; V125-L144 HydrophobicContact CB-CB 3.94Å; V125-L144 HydrophobicContact CG1-CB 4.46Å; V125-A146 HydrophobicContact CG2-CB 4.2Å; V125-V149 HydrophobicContact CG1-CG2 3.78Å; V125-V166 HydrophobicContact CG1-CG1 4.38Å; V125-I175 HydrophobicContact CG1-CD1 4.4Å
126	N	98.6	Very high	97	Very high	13 Å²	13	7.3 Å²	7.3	7%	0.07	3%	0.034	C	C	.	.	H	α-helix	trans	-67.5	-43.9	175.9	-64.2	-20.3	0	0	0	111.3	H111 F122 T124 I128 S129 D130	H111-N126 PolarHBondContact CD2-ND2 3.01Å; H111-N126 PolarHBondContact CD2-OD1 3.18Å; H111-N126 VanDerWaalsContact CD2-OD1 3.26Å; F122-N126 WeakPolarHBondContact O-CB 3.24Å; F122-N126 PolarHBondContact O-N 2.73Å; F122-N126 PolarHBondContact O-ND2 2.83Å; T124-N126 VanDerWaalsContact C-N 3.27Å; T124-N126 PolarHBondContact O-N 3.28Å; N126-I128 VanDerWaalsContact C-N 3.33Å; N126-I128 PolarHBondContact O-N 2.62Å; N126-S129 PolarHBondContact O-N 2.93Å; N126-D130 PolarHBondContact O-N 2.88Å
127	S	98.7	Very high	97.2	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-64.8	-39.3	176.8	-56.8	0	0	0	0	111.4	A123 T124 R131 I251 R283	A123-S127 WeakPolarHBondContact O-CB 3.34Å; A123-S127 PolarHBondContact O-N 3.28Å; A123-S127 PolarHBondContact O-OG 2.66Å; T124-S127 PolarHBondContact O-N 3.12Å; S127-R131 VanDerWaalsContact O-CG 3.28Å; S127-R131 WeakPolarHBondContact O-CG 3.32Å; S127-R131 PolarHBondContact O-N 2.89Å; S127-R131 VanDerWaalsContact O-N 3.15Å; S127-I251 WeakPolarHBondContact OG-CG1 3.32Å; S127-R283 WeakPolarHBondContact OG-CD 3.34Å; S127-R283 VanDerWaalsContact OG-CG 3.31Å; S127-R283 WeakPolarHBondContact OG-CG 3.42Å
128	I	98.7	Very high	97.5	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-63.4	-46.7	174.4	-65	163.3	0	0	0	110.7	T124 V125 N126 D130 R131 I132 L144 L167 W170 P330	T124-I128 HydrophobicContact CG2-CD1 3.8Å; T124-I128 HydrophobicContact CG2-CG1 4.47Å; T124-I128 WeakPolarHBondContact O-CG1 3.01Å; T124-I128 PolarHBondContact O-N 3.34Å; V125-I128 PolarHBondContact O-N 3Å; N126-I128 VanDerWaalsContact C-N 3.33Å; N126-I128 PolarHBondContact O-N 2.62Å; I128-D130 VanDerWaalsContact C-N 3.3Å; I128-D130 PolarHBondContact O-N 3.45Å; I128-R131 PolarHBondContact O-N 3.37Å; I128-R131 VanDerWaalsContact O-N 3.08Å; I128-I132 HydrophobicContact CG2-CD1 3.78Å; I128-I132 HydrophobicContact CG2-CG1 4.2Å; I128-I132 WeakPolarHBondContact O-CG1 3.28Å; I128-I132 PolarHBondContact O-N 3.3Å; I128-L144 HydrophobicContact CB-CD1 3.93Å; I128-L144 HydrophobicContact CG2-CD1 3.31Å; I128-L144 HydrophobicContact CG2-CG 4.43Å; I128-L167 HydrophobicContact CD1-CD2 4.22Å; I128-L167 HydrophobicContact CG1-CD2 4.45Å; I128-W170 HydrophobicContact CB-CZ2 4.48Å; I128-W170 HydrophobicContact CD1-CB 4.35Å; I128-W170 HydrophobicContact CD1-CD2 3.74Å; I128-W170 HydrophobicContact CD1-CE3 3.91Å; I128-W170 HydrophobicContact CD1-CG 3.96Å; I128-W170 HydrophobicContact CD1-CZ3 4.44Å; I128-W170 HydrophobicContact CG1-CD2 4.27Å; I128-W170 HydrophobicContact CG1-CE3 4.21Å; I128-W170 HydrophobicContact CG1-CH2 4.28Å; I128-W170 HydrophobicContact CG1-CZ2 4.39Å; I128-W170 HydrophobicContact CG1-CZ3 4.23Å; I128-W170 HydrophobicContact CG2-CD2 4.2Å; I128-W170 HydrophobicContact CG2-CH2 3.9Å; I128-W170 HydrophobicContact CG2-CZ2 3.32Å; I128-P330 HydrophobicContact CG1-CB 3.88Å; I128-P330 HydrophobicContact CG1-CG 3.77Å
129	S	98.8	Very high	97.6	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.007	12%	0.121	C	C	.	.	H	α-helix	trans	-56.4	-44.8	180	-59.9	0	0	0	0	111.6	V125 N126 R131 I132 C133 A142 L144	V125-S129 WeakPolarHBondContact O-CB 3.39Å; V125-S129 PolarHBondContact O-N 2.04Å; V125-S129 PolarHBondContact O-OG 3.01Å; N126-S129 PolarHBondContact O-N 2.93Å; S129-R131 VanDerWaalsContact C-N 3.34Å; S129-R131 PolarHBondContact O-N 2.87Å; S129-I132 PolarHBondContact O-N 3.3Å; S129-C133 PolarHBondContact O-N 3.44Å; S129-A142 WeakPolarHBondContact CA-O 3.4Å; S129-A142 WeakPolarHBondContact CB-O 3.3Å; S129-A142 PolarHBondContact OG-O 2.78Å; S129-L144 PolarHBondContact OG-N 3.02Å
130	D	98.8	Very high	97.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-59.2	-47.4	174.8	-63	-18.3	0	0	0	111.8	T106 I107 N126 I128 I132 C133 I134 P249 R283	T106-D130 VanDerWaalsContact CB-OD1 3.3Å; T106-D130 WeakPolarHBondContact CB-OD1 3.43Å; T106-D130 WeakPolarHBondContact OG1-CA 3.34Å; T106-D130 PolarHBondContact OG1-OD1 2.77Å; I107-D130 VanDerWaalsContact CA-OD1 3.27Å; I107-D130 WeakPolarHBondContact CA-OD1 3.35Å; I107-D130 HydrophobicContact CG1-CB 3.93Å; I107-D130 WeakPolarHBondContact CG1-OD1 3.33Å; I107-D130 PolarHBondContact N-OD1 3.24Å; N126-D130 PolarHBondContact O-N 2.88Å; I128-D130 VanDerWaalsContact C-N 3.3Å; I128-D130 PolarHBondContact O-N 3.45Å; D130-I132 PolarHBondContact O-N 3.13Å; D130-C133 PolarHBondContact O-N 3.4Å; D130-I134 VanDerWaalsContact O-CG1 3.26Å; D130-I134 WeakPolarHBondContact O-CG1 3.22Å; D130-I134 PolarHBondContact O-N 2.86Å; D130-P249 HydrophobicContact CB-CG 4.14Å; D130-P249 WeakPolarHBondContact OD2-CG 3.48Å; D130-R283 IonicContact OD1-NH1 3.75Å; D130-R283 PolarHBondContact OD1-NH1 3.42Å; D130-R283 WeakPolarHBondContact OD2-CD 3.27Å; D130-R283 IonicContact OD2-CZ 3.54Å; D130-R283 IonicContact OD2-NE 3.52Å; D130-R283 IonicContact OD2-NH1 3.91Å; D130-R283 PolarHBondContact OD2-NH1 3.27Å
131	R	98.8	Very high	97.7	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-68.2	-35.1	-177.5	-68.1	-169.5	176.3	-134.1	-15	112.1	S127 I128 S129 C133 I134 Y135 E243 N247 G248 P249 P330 P332	S127-R131 VanDerWaalsContact O-CG 3.28Å; S127-R131 WeakPolarHBondContact O-CG 3.32Å; S127-R131 PolarHBondContact O-N 2.89Å; S127-R131 VanDerWaalsContact O-N 3.15Å; I128-R131 PolarHBondContact O-N 3.37Å; I128-R131 VanDerWaalsContact O-N 3.08Å; S129-R131 VanDerWaalsContact C-N 3.34Å; S129-R131 PolarHBondContact O-N 2.87Å; R131-C133 VanDerWaalsContact C-N 3.25Å; R131-C133 PolarHBondContact O-N 2.86Å; R131-I134 PolarHBondContact O-N 3.27Å; R131-Y135 HydrophobicContact CB-CD2 4.24Å; R131-Y135 HydrophobicContact CB-CE2 4.41Å; R131-Y135 WeakPolarHBondContact O-CB 3.3Å; R131-Y135 WeakPolarHBondContact O-CD2 3.31Å; R131-Y135 PolarHBondContact O-N 3.17Å; R131-E243 IonicContact CZ-OE1 2.62Å; R131-E243 VanDerWaalsContact CZ-OE1 3.27Å; R131-E243 IonicContact NH1-OE1 2.93Å; R131-E243 PolarHBondContact NH1-OE1 3.49Å; R131-E243 IonicContact NH2-OE1 3.2Å; R131-E243 PolarHBondContact NH2-OE1 3.02Å; R131-N247 WeakPolarHBondContact CG-O 3.27Å; R131-N247 PolarHBondContact NE-O 3.03Å; R131-G248 PolarHBondContact NH2-O 3.27Å; R131-P249 PolarHBondContact NE-O 3.02Å; R131-P249 PolarHBondContact NH2-O 3.42Å; R131-P330 WeakPolarHBondContact CD-O 3.27Å; R131-P330 PolarHBondContact NH1-O 3.1Å; R131-P332 HydrophobicContact CB-CG 4.34Å
132	I	98.7	Very high	97.7	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.01	16%	0.158	C	C	.	.	H	α-helix	trans	-56.3	-45.6	171.8	-70.3	165.8	0	0	0	110.1	I128 S129 D130 S136 L140 A142 L144 F225 P332 I334	I128-I132 HydrophobicContact CG2-CD1 3.78Å; I128-I132 HydrophobicContact CG2-CG1 4.2Å; I128-I132 WeakPolarHBondContact O-CG1 3.28Å; I128-I132 PolarHBondContact O-N 3.3Å; S129-I132 PolarHBondContact O-N 3.3Å; D130-I132 PolarHBondContact O-N 3.13Å; I132-S136 VanDerWaalsContact O-CB 3.3Å; I132-S136 WeakPolarHBondContact O-CB 3.29Å; I132-S136 PolarHBondContact O-N 3.21Å; I132-S136 VanDerWaalsContact O-N 3.13Å; I132-S136 PolarHBondContact O-OG 3.2Å; I132-L140 HydrophobicContact CG2-CB 4.44Å; I132-L140 HydrophobicContact CG2-CD2 3.81Å; I132-L140 HydrophobicContact CG2-CG 3.83Å; I132-A142 HydrophobicContact CG2-CB 4.34Å; I132-L144 HydrophobicContact CD1-CD1 3.96Å; I132-L144 HydrophobicContact CD1-CD2 4.18Å; I132-L144 HydrophobicContact CD1-CG 4.14Å; I132-F225 HydrophobicContact CD1-CB 4Å; I132-F225 HydrophobicContact CD1-CD1 3.81Å; I132-F225 HydrophobicContact CD1-CG 4.11Å; I132-F225 HydrophobicContact CG2-CD1 4.26Å; I132-F225 HydrophobicContact CG2-CE1 4.3Å; I132-P332 HydrophobicContact CG1-CB 3.69Å; I132-P332 HydrophobicContact CG1-CG 4.35Å; I132-I334 HydrophobicContact CG2-CD1 4.23Å
133	C	98.7	Very high	97.8	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-66.8	-43.2	176.9	-177.9	0	0	0	0	113.3	C104 S129 D130 R131 S136 N137 G138 L140	C104-C133 WeakPolarHBondContact CA-SG 3.3Å; C104-C133 HydrophobicContact CB-CB 3.71Å; C104-C133 WeakPolarHBondContact CB-SG 3.26Å; C104-C133 WeakPolarHBondContact SG-CB 3.43Å; C104-C133 CovalentContact SG-SG 2.04Å; C104-C133 PolarHBondContact SG-SG 2.82Å; S129-C133 PolarHBondContact O-N 3.44Å; D130-C133 PolarHBondContact O-N 3.4Å; R131-C133 VanDerWaalsContact C-N 3.25Å; R131-C133 PolarHBondContact O-N 2.86Å; C133-S136 PolarHBondContact O-N 3.28Å; C133-S136 PolarHBondContact O-OG 2.99Å; C133-N137 PolarHBondContact O-N 3.42Å; C133-G138 PolarHBondContact O-N 2.79Å; C133-L140 WeakPolarHBondContact CA-O 3.22Å
134	I	98.6	Very high	97.8	Very high	18 Å²	18	31.9 Å²	31.9	9%	0.092	16%	0.16	C	C	.	.	H	α-helix	trans	-64	-48.9	-179.4	-69.7	167.9	0	0	0	111.1	W101 I107 D130 R131 S136 N137	W101-I134 HydrophobicContact CB-CG1 4.23Å; W101-I134 HydrophobicContact CD2-CD1 3.61Å; W101-I134 HydrophobicContact CD2-CG1 3.73Å; W101-I134 HydrophobicContact CD2-CG2 4.49Å; W101-I134 HydrophobicContact CE3-CD1 3.71Å; W101-I134 HydrophobicContact CE3-CG1 4.32Å; W101-I134 HydrophobicContact CG-CD1 4.09Å; W101-I134 HydrophobicContact CG-CG1 3.68Å; W101-I134 HydrophobicContact CH2-CD1 4.4Å; W101-I134 HydrophobicContact CZ2-CD1 4.28Å; W101-I134 HydrophobicContact CZ2-CG2 4.15Å; W101-I134 HydrophobicContact CZ3-CD1 4.1Å; I107-I134 HydrophobicContact CD1-CD1 4.28Å; D130-I134 VanDerWaalsContact O-CG1 3.26Å; D130-I134 WeakPolarHBondContact O-CG1 3.22Å; D130-I134 PolarHBondContact O-N 2.86Å; R131-I134 PolarHBondContact O-N 3.27Å; I134-S136 VanDerWaalsContact C-N 3.3Å; I134-S136 PolarHBondContact O-N 2.86Å; I134-N137 PolarHBondContact O-N 2.83Å
135	Y	98.3	Very high	97.8	Very high	82 Å²	82	31.9 Å²	31.9	32%	0.322	16%	0.16	S	C	.	.	H	α-helix	trans	-70.5	-26.2	-178	-81.5	-105.2	0	0	0	112.9	R131 N137 N247 I331 P332	R131-Y135 HydrophobicContact CB-CD2 4.24Å; R131-Y135 HydrophobicContact CB-CE2 4.41Å; R131-Y135 WeakPolarHBondContact O-CB 3.3Å; R131-Y135 WeakPolarHBondContact O-CD2 3.31Å; R131-Y135 PolarHBondContact O-N 3.17Å; Y135-N137 PolarHBondContact O-N 2.81Å; Y135-N247 HydrophobicContact CE2-CB 4.15Å; Y135-N247 WeakPolarHBondContact OH-CB 3.32Å; Y135-N247 PolarHBondContact OH-OD1 3.33Å; Y135-I331 HydrophobicContact CE1-CG2 3.95Å; Y135-I331 HydrophobicContact CE2-CD1 4.49Å; Y135-I331 WeakPolarHBondContact OH-CD1 3.39Å; Y135-P332 HydrophobicContact CD2-CG 3.97Å; Y135-P332 HydrophobicContact CG-CG 3.88Å
136	S	97.9	Very high	97.7	Very high	11 Å²	11	32.1 Å²	32.1	8%	0.077	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	4.9	171.2	68.6	0	0	0	0	113.7	I132 C133 I134 G138 R139 L140	I132-S136 VanDerWaalsContact O-CB 3.3Å; I132-S136 WeakPolarHBondContact O-CB 3.29Å; I132-S136 PolarHBondContact O-N 3.21Å; I132-S136 VanDerWaalsContact O-N 3.13Å; I132-S136 PolarHBondContact O-OG 3.2Å; C133-S136 PolarHBondContact O-N 3.28Å; C133-S136 PolarHBondContact O-OG 2.99Å; I134-S136 VanDerWaalsContact C-N 3.3Å; I134-S136 PolarHBondContact O-N 2.86Å; S136-G138 VanDerWaalsContact C-N 3.26Å; S136-G138 PolarHBondContact O-N 2.96Å; S136-R139 VanDerWaalsContact O-CB 3.28Å; S136-R139 WeakPolarHBondContact O-CB 3.34Å; S136-R139 VanDerWaalsContact O-CG 3.27Å; S136-R139 WeakPolarHBondContact O-CG 3.4Å; S136-R139 PolarHBondContact O-N 3.13Å; S136-R139 VanDerWaalsContact O-N 3.12Å; S136-L140 WeakPolarHBondContact OG-CB 3.28Å; S136-L140 PolarHBondContact OG-N 2.88Å; S136-L140 PolarHBondContact OG-O 3.01Å
137	N	96.6	Very high	97.6	Very high	132 Å²	132	33.5 Å²	33.5	71%	0.706	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	42.3	-175.2	-163	32	0	0	0	112.7	C133 I134 Y135 R139	C133-N137 PolarHBondContact O-N 3.42Å; I134-N137 PolarHBondContact O-N 2.83Å; Y135-N137 PolarHBondContact O-N 2.81Å; N137-R139 VanDerWaalsContact C-N 3.31Å; N137-R139 PolarHBondContact O-N 2.86Å
138	G	96.3	Very high	97.5	Very high	29 Å²	29	33.5 Å²	33.5	30%	0.299	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	3	-179.7	0	0	0	0	0	115.6	C133 S136	C133-G138 PolarHBondContact O-N 2.79Å; S136-G138 VanDerWaalsContact C-N 3.26Å; S136-G138 PolarHBondContact O-N 2.96Å
139	R	96.5	Very high	97.3	Very high	222 Å²	222	33.6 Å²	33.6	84%	0.838	17%	0.167	S	C	*	.	S	Bend	trans	-77.5	-27.5	-178.7	-64.8	175.4	-179.2	171.6	0.7	113.3	S136 N137	S136-R139 VanDerWaalsContact O-CB 3.28Å; S136-R139 WeakPolarHBondContact O-CB 3.34Å; S136-R139 VanDerWaalsContact O-CG 3.27Å; S136-R139 WeakPolarHBondContact O-CG 3.4Å; S136-R139 PolarHBondContact O-N 3.13Å; S136-R139 VanDerWaalsContact O-N 3.12Å; N137-R139 VanDerWaalsContact C-N 3.31Å; N137-R139 PolarHBondContact O-N 2.86Å
140	L	96.1	Very high	97.1	Very high	63 Å²	63	33.7 Å²	33.7	33%	0.33	17%	0.167	S	C	.	.			trans	-126.9	112.2	-176.6	-178	60.3	0	0	0	109.4	I132 C133 S136 F225	I132-L140 HydrophobicContact CG2-CB 4.44Å; I132-L140 HydrophobicContact CG2-CD2 3.81Å; I132-L140 HydrophobicContact CG2-CG 3.83Å; C133-L140 WeakPolarHBondContact CA-O 3.22Å; S136-L140 WeakPolarHBondContact OG-CB 3.28Å; S136-L140 PolarHBondContact OG-N 2.88Å; S136-L140 PolarHBondContact OG-O 3.01Å; L140-F225 HydrophobicContact CD1-CE1 4.09Å; L140-F225 HydrophobicContact CD1-CZ 4.38Å; L140-F225 HydrophobicContact CD2-CE1 3.85Å; L140-F225 HydrophobicContact CG-CE1 4.09Å
141	S	94.8	Very high	96.8	Very high	65 Å²	65	34.1 Å²	34.1	46%	0.455	17%	0.17	S	C	.	.			trans	-113.6	111.2	173.7	179.4	0	0	0	0	108.8
142	A	96.4	Very high	96.7	Very high	4 Å²	4	35 Å²	35	3%	0.033	18%	0.177	C	C	.	.			trans	-126.3	120.1	-179.4	0	0	0	0	0	109.4	S129 I132 L144 T177 F225	S129-A142 WeakPolarHBondContact CA-O 3.4Å; S129-A142 WeakPolarHBondContact CB-O 3.3Å; S129-A142 PolarHBondContact OG-O 2.78Å; I132-A142 HydrophobicContact CG2-CB 4.34Å; A142-L144 HydrophobicContact CB-CD2 4.45Å; A142-T177 HydrophobicContact CB-CG2 4.21Å; A142-F225 HydrophobicContact CB-CD1 4.1Å; A142-F225 HydrophobicContact CB-CD2 4.36Å; A142-F225 HydrophobicContact CB-CE1 3.49Å; A142-F225 VanDerWaalsContact CB-CE1 3.49Å; A142-F225 HydrophobicContact CB-CE2 3.86Å; A142-F225 HydrophobicContact CB-CG 4.49Å; A142-F225 HydrophobicContact CB-CZ 3.38Å
143	Q	97.9	Very high	96.4	Very high	26 Å²	26	35.4 Å²	35.4	12%	0.121	18%	0.181	C	C	.	.			trans	-88.9	109.3	171.2	-177.4	-179.2	-24.8	0	0	108.5	H111 T177 G178	H111-Q143 PolarHBondContact CE1-NE2 2.83Å; Q143-T177 CarbonylContact O-C 3.09Å; Q143-T177 WeakPolarHBondContact O-CA 3.33Å; Q143-T177 WeakPolarHBondContact O-CB 3.37Å; Q143-G178 PolarHBondContact NE2-O 3.11Å; Q143-G178 PolarHBondContact O-N 3.48Å
144	L	98.5	Very high	96	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.01	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-77.4	143	-176.7	-64.3	-166.1	0	0	0	112.7	V125 I128 S129 I132 A142 A146 I175 F225	V125-L144 HydrophobicContact CB-CB 3.94Å; V125-L144 HydrophobicContact CG1-CB 4.46Å; I128-L144 HydrophobicContact CB-CD1 3.93Å; I128-L144 HydrophobicContact CG2-CD1 3.31Å; I128-L144 HydrophobicContact CG2-CG 4.43Å; S129-L144 PolarHBondContact OG-N 3.02Å; I132-L144 HydrophobicContact CD1-CD1 3.96Å; I132-L144 HydrophobicContact CD1-CD2 4.18Å; I132-L144 HydrophobicContact CD1-CG 4.14Å; A142-L144 HydrophobicContact CB-CD2 4.45Å; L144-A146 PolarHBondContact O-N 2.78Å; L144-I175 HydrophobicContact CB-CG2 3.97Å; L144-I175 HydrophobicContact CD1-CB 4.25Å; L144-I175 HydrophobicContact CD1-CG2 4.31Å; L144-F225 HydrophobicContact CD2-CB 3.85Å; L144-F225 HydrophobicContact CD2-CD2 3.73Å; L144-F225 HydrophobicContact CD2-CG 3.86Å
145	S	98.1	Very high	95.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.21	C	C	.	.			trans	-76.5	113.8	-171.8	178.1	0	0	0	0	112.8	R147 N148 V149 V176 Q188	S145-R147 PolarHBondContact O-N 2.86Å; S145-R147 WeakPolarHBondContact OG-CB 3.34Å; S145-R147 PolarHBondContact OG-N 3.43Å; S145-N148 PolarHBondContact O-N 3.15Å; S145-N148 PolarHBondContact OG-N 3.17Å; S145-V149 PolarHBondContact O-N 2.89Å; S145-V176 VanDerWaalsContact CB-O 3.25Å; S145-V176 WeakPolarHBondContact CB-O 3.35Å; S145-V176 PolarHBondContact N-O 2.93Å; S145-Q188 WeakPolarHBondContact CB-O 3.44Å; S145-Q188 PolarHBondContact OG-O 2.86Å
146	A	96.5	Very high	94.7	Very high	5 Å²	5	40.4 Å²	40.4	4%	0.041	21%	0.214	C	C	.	.	H	α-helix	trans	-63.1	-32.6	164.8	0	0	0	0	0	111.7	F122 V125 L144 V149 I150 Y190	F122-A146 HydrophobicContact CD1-CB 3.95Å; F122-A146 HydrophobicContact CD2-CB 4.46Å; F122-A146 HydrophobicContact CE1-CB 3.68Å; F122-A146 HydrophobicContact CE2-CB 4.2Å; F122-A146 HydrophobicContact CG-CB 4.34Å; F122-A146 HydrophobicContact CZ-CB 3.83Å; V125-A146 HydrophobicContact CG2-CB 4.2Å; L144-A146 PolarHBondContact O-N 2.78Å; A146-V149 PolarHBondContact O-N 2.77Å; A146-I150 HydrophobicContact CB-CD1 4.48Å; A146-I150 WeakPolarHBondContact O-CB 3.32Å; A146-I150 VanDerWaalsContact O-CD1 3.27Å; A146-I150 WeakPolarHBondContact O-CD1 3.04Å; A146-I150 WeakPolarHBondContact O-CG1 3.27Å; A146-I150 PolarHBondContact O-N 3.47Å; A146-Y190 HydrophobicContact CB-CD2 4Å; A146-Y190 HydrophobicContact CB-CE2 4.26Å
147	R	95.2	Very high	94.1	Very high	42 Å²	42	39.9 Å²	39.9	16%	0.158	21%	0.211	C	C	.	.	H	α-helix	trans	-59.8	-48.9	175.6	175.5	-177.6	162.9	-156.1	-2.2	111	S145 V149 I150 S151 Q188 P189	S145-R147 PolarHBondContact O-N 2.86Å; S145-R147 WeakPolarHBondContact OG-CB 3.34Å; S145-R147 PolarHBondContact OG-N 3.43Å; R147-V149 VanDerWaalsContact C-N 3.3Å; R147-V149 PolarHBondContact O-N 2.77Å; R147-I150 PolarHBondContact O-N 3.18Å; R147-S151 WeakPolarHBondContact O-CB 3.31Å; R147-S151 PolarHBondContact O-N 2.81Å; R147-S151 PolarHBondContact O-OG 2.5Å; R147-Q188 HydrophobicContact CG-CB 4.49Å; R147-P189 WeakPolarHBondContact CB-O 3.32Å; R147-P189 WeakPolarHBondContact CD-O 3.41Å
148	N	96.6	Very high	93.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-56.5	-47.7	-177.7	-179.1	-117.6	0	0	0	111	S145 I150 S151 C152 I175 V176 Q188 Y220	S145-N148 PolarHBondContact O-N 3.15Å; S145-N148 PolarHBondContact OG-N 3.17Å; N148-I150 PolarHBondContact O-N 3.11Å; N148-S151 PolarHBondContact O-N 2.91Å; N148-C152 VanDerWaalsContact O-CB 3.29Å; N148-C152 WeakPolarHBondContact O-CB 3.49Å; N148-C152 PolarHBondContact O-N 3.06Å; N148-I175 HydrophobicContact CB-CG2 4.43Å; N148-V176 HydrophobicContact CB-CG2 3.82Å; N148-Q188 VanDerWaalsContact CB-OE1 3.26Å; N148-Q188 PolarHBondContact ND2-OE1 3.09Å; N148-Y220 PolarHBondContact ND2-OH 2.65Å
149	V	95.3	Very high	92.8	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	17%	0.17	C	C	.	.	H	α-helix	trans	-63.2	-43.3	178	173.9	0	0	0	0	112	W120 A121 V125 S145 A146 R147 G153 V166 I175	W120-V149 HydrophobicContact CH2-CG1 4.26Å; W120-V149 HydrophobicContact CZ3-CG1 3.68Å; A121-V149 HydrophobicContact CB-CG1 4.18Å; V125-V149 HydrophobicContact CG1-CG2 3.78Å; S145-V149 PolarHBondContact O-N 2.89Å; A146-V149 PolarHBondContact O-N 2.77Å; R147-V149 VanDerWaalsContact C-N 3.3Å; R147-V149 PolarHBondContact O-N 2.77Å; V149-G153 VanDerWaalsContact O-CA 3.28Å; V149-G153 WeakPolarHBondContact O-CA 3.3Å; V149-G153 PolarHBondContact O-N 2.93Å; V149-V166 HydrophobicContact CB-CG1 4.4Å; V149-V166 HydrophobicContact CG1-CB 4.05Å; V149-V166 HydrophobicContact CG1-CG1 3.63Å; V149-V166 HydrophobicContact CG1-CG2 3.41Å; V149-V166 VanDerWaalsContact CG1-CG2 3.41Å; V149-V166 HydrophobicContact CG2-CG1 3.84Å; V149-I175 HydrophobicContact CG2-CD1 3.46Å; V149-I175 VanDerWaalsContact CG2-CD1 3.46Å; V149-I175 HydrophobicContact CG2-CG1 3.89Å; V149-I175 HydrophobicContact CG2-CG2 4.16Å
150	I	93.8	Very high	92	Very high	3 Å²	3	27.5 Å²	27.5	2%	0.015	15%	0.15	C	C	.	.	H	α-helix	trans	-71.1	-33.3	-179.5	-68	160.7	0	0	0	111.3	A118 W120 A121 A146 R147 N148 P156 G157 Y190	A118-I150 HydrophobicContact CB-CD1 3.58Å; A118-I150 HydrophobicContact CB-CG1 4.49Å; W120-I150 HydrophobicContact CH2-CG1 3.99Å; W120-I150 HydrophobicContact CZ2-CG1 4.07Å; A121-I150 HydrophobicContact CB-CD1 4.12Å; A121-I150 HydrophobicContact CB-CG1 3.96Å; A146-I150 HydrophobicContact CB-CD1 4.48Å; A146-I150 WeakPolarHBondContact O-CB 3.32Å; A146-I150 VanDerWaalsContact O-CD1 3.27Å; A146-I150 WeakPolarHBondContact O-CD1 3.04Å; A146-I150 WeakPolarHBondContact O-CG1 3.27Å; A146-I150 PolarHBondContact O-N 3.47Å; R147-I150 PolarHBondContact O-N 3.18Å; N148-I150 PolarHBondContact O-N 3.11Å; I150-P156 CarbonylContact O-C 3.57Å; I150-P156 WeakPolarHBondContact O-CA 3.35Å; I150-P156 WeakPolarHBondContact O-CB 3.44Å; I150-G157 PolarHBondContact O-N 3.19Å; I150-Y190 HydrophobicContact CD1-CE2 3.71Å
151	S	94.1	Very high	91.4	Very high	9 Å²	9	25 Å²	25	6%	0.063	14%	0.139	C	C	.	.	H	α-helix	trans	-83.8	-38.6	179.9	-69.1	0	0	0	0	112.7	R147 N148 P156 P206 C208	R147-S151 WeakPolarHBondContact O-CB 3.31Å; R147-S151 PolarHBondContact O-N 2.81Å; R147-S151 PolarHBondContact O-OG 2.5Å; N148-S151 PolarHBondContact O-N 2.91Å; S151-P156 WeakPolarHBondContact O-CB 3.31Å; S151-P206 WeakPolarHBondContact CB-O 3.45Å; S151-P206 PolarHBondContact OG-O 3.17Å; S151-C208 WeakPolarHBondContact O-CB 3.32Å
152	C	94.9	Very high	91.2	Very high	20 Å²	20	23 Å²	23	14%	0.135	12%	0.124	C	C	.	.	H	α-helix	trans	-117.5	-9.3	-167.3	-62.9	0	0	0	0	115.3	N148 Y169 C208	N148-C152 VanDerWaalsContact O-CB 3.29Å; N148-C152 WeakPolarHBondContact O-CB 3.49Å; N148-C152 PolarHBondContact O-N 3.06Å; C152-Y169 VanDerWaalsContact CB-OH 3.27Å; C152-Y169 WeakPolarHBondContact CB-OH 3.44Å; C152-Y169 WeakPolarHBondContact O-CE2 3.44Å; C152-C208 VanDerWaalsContact CA-SG 3.55Å; C152-C208 HydrophobicContact CB-CB 4Å; C152-C208 WeakPolarHBondContact CB-SG 3.46Å; C152-C208 WeakPolarHBondContact SG-CA 3.5Å; C152-C208 WeakPolarHBondContact SG-CB 3.49Å; C152-C208 CovalentContact SG-SG 2.04Å; C152-C208 PolarHBondContact SG-SG 2.69Å
153	G	92.8	Very high	91.1	Very high	9 Å²	9	23 Å²	23	9%	0.093	12%	0.123	C	C	.	.	S	Bend	trans	-65.1	176	178.8	0	0	0	0	0	113.2	V149 S155 P156	V149-G153 VanDerWaalsContact O-CA 3.28Å; V149-G153 WeakPolarHBondContact O-CA 3.3Å; V149-G153 PolarHBondContact O-N 2.93Å; G153-S155 PolarHBondContact O-N 3.03Å; G153-P156 WeakPolarHBondContact O-CD 3.08Å
154	F	90	Very high	90.8	Very high	111 Å²	111	22.6 Å²	22.6	49%	0.487	12%	0.121	S	C	.	.	S	Bend	trans	-65.2	-23.5	-177.7	-63	-53.8	0	0	0	114.6	E165 V168 Y169	F154-E165 HydrophobicContact CD2-CB 4.47Å; F154-V168 HydrophobicContact CE2-CB 4.16Å; F154-V168 HydrophobicContact CE2-CG1 3.82Å; F154-V168 HydrophobicContact CZ-CG1 4.48Å; F154-Y169 HydrophobicContact CZ-CD2 4.46Å
155	S	85.3	Confident	90.5	Very high	32 Å²	32	25.2 Å²	25.2	22%	0.224	13%	0.134	C	C	.	.	S	Bend	trans	-125.3	75.5	174.6	-68.4	0	0	0	0	109.4	G153 E165	G153-S155 PolarHBondContact O-N 3.03Å; S155-E165 WeakPolarHBondContact CB-OE2 3.26Å; S155-E165 PolarHBondContact OG-OE2 3.04Å
156	P	84.5	Confident	90.4	Very high	63 Å²	63	25.4 Å²	25.4	41%	0.409	14%	0.135	S	C	.	.			trans	-69.2	147.1	-173.9	29.4	-33.6	0	0	0	111.5	I150 S151 G153 F205	I150-P156 CarbonylContact O-C 3.57Å; I150-P156 WeakPolarHBondContact O-CA 3.35Å; I150-P156 WeakPolarHBondContact O-CB 3.44Å; S151-P156 WeakPolarHBondContact O-CB 3.31Å; G153-P156 WeakPolarHBondContact O-CD 3.08Å; P156-F205 HydrophobicContact CB-CE2 4.38Å
157	G	86.4	Confident	90.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	107	172.8	172.3	0	0	0	0	0	115.1	I150	I150-G157 PolarHBondContact O-N 3.19Å
158	C	82.4	Confident	90.4	Very high	5 Å²	5	25.8 Å²	25.8	3%	0.034	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	147.5	168.8	-60.9	0	0	0	0	109.3	C116 H160	C116-C158 HydrophobicContact CB-CB 3.98Å; C116-C158 WeakPolarHBondContact CB-SG 3.12Å; C116-C158 VanDerWaalsContact SG-CA 3.54Å; C116-C158 WeakPolarHBondContact SG-CB 3.39Å; C116-C158 CovalentContact SG-SG 2.04Å; C116-C158 PolarHBondContact SG-SG 3.26Å; C158-H160 VanDerWaalsContact C-N 3.35Å; C158-H160 PolarHBondContact O-CE1 3.11Å; C158-H160 VanDerWaalsContact O-CE1 3.3Å; C158-H160 PolarHBondContact O-N 2.95Å; C158-H160 PolarHBondContact O-ND1 3.44Å; C158-H160 VanDerWaalsContact O-ND1 3.07Å
159	F	82.6	Confident	90.4	Very high	28 Å²	28	26.3 Å²	26.3	12%	0.123	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	1.3	172.2	-34	-64.5	0	0	0	117.1	K63 K66 N67 C115 R117	K63-F159 HydrophobicContact CB-CE1 3.93Å; K63-F159 HydrophobicContact CB-CZ 4.41Å; K63-F159 VanDerWaalsContact O-CD1 3.22Å; K63-F159 WeakPolarHBondContact O-CD1 3.48Å; K63-F159 VanDerWaalsContact O-CE1 3.29Å; K63-F159 WeakPolarHBondContact O-CE1 3.11Å; K66-F159 HydrophobicContact CB-CD1 4.17Å; K66-F159 HydrophobicContact CB-CG 4.49Å; K66-F159 HydrophobicContact CD-CB 4.48Å; K66-F159 HydrophobicContact CD-CD1 4.46Å; K66-F159 HydrophobicContact CD-CG 4.22Å; N67-F159 VanDerWaalsContact CB-O 3.22Å; N67-F159 WeakPolarHBondContact CB-O 3.33Å; C115-F159 VanDerWaalsContact O-CE1 3.3Å; C115-F159 WeakPolarHBondContact O-CE1 3.4Å; R117-F159 HydrophobicContact CB-CD1 3.84Å; R117-F159 HydrophobicContact CB-CE1 4.38Å; R117-F159 VanDerWaalsContact CZ-C 3.49Å; R117-F159 VanDerWaalsContact CZ-O 3.24Å; R117-F159 PolarHBondContact NH1-O 3.47Å; R117-F159 VanDerWaalsContact NH1-O 3.08Å; R117-F159 PolarHBondContact NH2-O 2.95Å
160	H	80.1	Confident	90.5	Very high	90 Å²	90	26.3 Å²	26.3	42%	0.417	14%	0.143	S	C	.	.			trans	-134.5	149.5	174.7	-36.1	91.2	0	0	0	107.7	N67 W120 C158	N67-H160 PolarHBondContact ND2-CD2 3.06Å; N67-H160 PolarHBondContact ND2-NE2 3.19Å; W120-H160 WeakPolarHBondContact CZ2-O 3.47Å; C158-H160 VanDerWaalsContact C-N 3.35Å; C158-H160 PolarHBondContact O-CE1 3.11Å; C158-H160 VanDerWaalsContact O-CE1 3.3Å; C158-H160 PolarHBondContact O-N 2.95Å; C158-H160 PolarHBondContact O-ND1 3.44Å; C158-H160 VanDerWaalsContact O-ND1 3.07Å
161	G	84.3	Confident	90.7	Very high	9 Å²	9	29 Å²	29	9%	0.093	16%	0.157	C	C	.	.			trans	115.9	164.5	-176.8	0	0	0	0	0	114	R117	R117-G161 PolarHBondContact NH2-O 3.1Å
162	N	90	Very high	90.8	Very high	25 Å²	25	32.9 Å²	32.9	13%	0.134	18%	0.18	C	C	.	.			trans	-151.3	160.2	177.9	61.3	79.6	0	0	0	109.6	I69 L164 E165 V166	I69-N162 HydrophobicContact CD1-CB 3.52Å; I69-N162 HydrophobicContact CG1-CB 4.31Å; N162-L164 VanDerWaalsContact C-N 3.27Å; N162-L164 PolarHBondContact O-N 2.99Å; N162-L164 WeakPolarHBondContact OD1-CB 3.21Å; N162-L164 PolarHBondContact OD1-N 3.2Å; N162-L164 VanDerWaalsContact OD1-N 3.12Å; N162-E165 PolarHBondContact ND2-OE1 3.47Å; N162-E165 PolarHBondContact O-N 3.04Å; N162-E165 PolarHBondContact OD1-N 3.25Å; N162-V166 PolarHBondContact O-N 3.36Å
163	E	93.3	Very high	91	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.009	19%	0.188	C	C	.	.	H	α-helix	trans	-57.6	-34.7	-178.7	68.4	-67.8	165.4	0	0	113.7	T124 V166 L167 I251 N281 R328	T124-E163 VanDerWaalsContact OG1-CB 3.3Å; T124-E163 WeakPolarHBondContact OG1-CB 3.41Å; E163-V166 PolarHBondContact O-N 2.67Å; E163-L167 VanDerWaalsContact O-CG 3.32Å; E163-L167 WeakPolarHBondContact O-CG 3.27Å; E163-L167 PolarHBondContact O-N 3.18Å; E163-I251 HydrophobicContact CB-CG2 4.04Å; E163-I251 HydrophobicContact CG-CG2 4.23Å; E163-N281 VanDerWaalsContact CD-ND2 3.31Å; E163-N281 PolarHBondContact OE2-ND2 3.2Å; E163-N281 PolarHBondContact OE2-OD1 3.21Å; E163-R328 VanDerWaalsContact CD-NH1 3.33Å; E163-R328 VanDerWaalsContact CG-NH1 3.31Å; E163-R328 IonicContact OE1-CZ 2.77Å; E163-R328 IonicContact OE1-NH1 3.47Å; E163-R328 PolarHBondContact OE1-NH1 3.14Å; E163-R328 IonicContact OE1-NH2 3.37Å
164	L	92.4	Very high	91.2	Very high	19 Å²	19	34.3 Å²	34.3	10%	0.099	18%	0.184	C	C	.	.	H	α-helix	trans	-69.5	-37.5	-177.7	-179.7	60.4	0	0	0	111.5	I79 N162 V166 L167 V168 I230	I79-L164 HydrophobicContact CD1-CD1 3.89Å; I79-L164 HydrophobicContact CG2-CD1 4.16Å; N162-L164 VanDerWaalsContact C-N 3.27Å; N162-L164 PolarHBondContact O-N 2.99Å; N162-L164 WeakPolarHBondContact OD1-CB 3.21Å; N162-L164 PolarHBondContact OD1-N 3.2Å; N162-L164 VanDerWaalsContact OD1-N 3.12Å; L164-V166 VanDerWaalsContact C-N 3.32Å; L164-V166 PolarHBondContact O-N 2.93Å; L164-L167 WeakPolarHBondContact O-CB 3.2Å; L164-L167 PolarHBondContact O-N 2.67Å; L164-V168 HydrophobicContact CD1-CG2 4.39Å; L164-V168 WeakPolarHBondContact O-CG2 3.39Å; L164-V168 PolarHBondContact O-N 3.17Å; L164-I230 HydrophobicContact CD1-CD1 3.98Å
165	E	92.3	Very high	91.6	Very high	57 Å²	57	29 Å²	29	27%	0.266	16%	0.161	S	C	.	.	H	α-helix	trans	-63.2	-38.8	174.2	-77.2	169.8	-164.2	0	0	112	F154 S155 N162 V168 Y169	F154-E165 HydrophobicContact CD2-CB 4.47Å; S155-E165 WeakPolarHBondContact CB-OE2 3.26Å; S155-E165 PolarHBondContact OG-OE2 3.04Å; N162-E165 PolarHBondContact ND2-OE1 3.47Å; N162-E165 PolarHBondContact O-N 3.04Å; N162-E165 PolarHBondContact OD1-N 3.25Å; E165-V168 PolarHBondContact O-N 2.8Å; E165-Y169 VanDerWaalsContact O-CB 3.27Å; E165-Y169 WeakPolarHBondContact O-CB 3.11Å; E165-Y169 PolarHBondContact O-N 3.4Å
166	V	95.5	Very high	92.3	Very high	3 Å²	3	27.5 Å²	27.5	2%	0.018	15%	0.15	C	C	.	.	H	α-helix	trans	-63.2	-45.7	174.2	-176	0	0	0	0	110.9	W120 T124 V125 V149 N162 E163 L164 V168 Y169 W170 I175	W120-V166 HydrophobicContact CE3-CG2 3.36Å; W120-V166 HydrophobicContact CZ3-CG2 3.42Å; W120-V166 VanDerWaalsContact CZ3-CG2 3.42Å; T124-V166 HydrophobicContact CG2-CB 3.77Å; T124-V166 HydrophobicContact CG2-CG1 3.51Å; V125-V166 HydrophobicContact CG1-CG1 4.38Å; V149-V166 HydrophobicContact CB-CG1 4.4Å; V149-V166 HydrophobicContact CG1-CB 4.05Å; V149-V166 HydrophobicContact CG1-CG1 3.63Å; V149-V166 HydrophobicContact CG1-CG2 3.41Å; V149-V166 VanDerWaalsContact CG1-CG2 3.41Å; V149-V166 HydrophobicContact CG2-CG1 3.84Å; N162-V166 PolarHBondContact O-N 3.36Å; E163-V166 PolarHBondContact O-N 2.67Å; L164-V166 VanDerWaalsContact C-N 3.32Å; L164-V166 PolarHBondContact O-N 2.93Å; V166-V168 VanDerWaalsContact C-N 3.33Å; V166-V168 PolarHBondContact O-N 3.31Å; V166-Y169 PolarHBondContact O-N 3.49Å; V166-W170 VanDerWaalsContact O-CB 3.32Å; V166-W170 WeakPolarHBondContact O-CB 3.41Å; V166-W170 PolarHBondContact O-N 3.2Å; V166-I175 HydrophobicContact CG1-CD1 4.12Å
167	L	96.2	Very high	92.9	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-61	-40.2	178.1	-75.3	179	0	0	0	112.5	T124 I128 E163 L164 W170 I171 I230 I251 R328 P330	T124-L167 HydrophobicContact CG2-CD2 3.69Å; T124-L167 HydrophobicContact CG2-CG 3.86Å; I128-L167 HydrophobicContact CD1-CD2 4.22Å; I128-L167 HydrophobicContact CG1-CD2 4.45Å; E163-L167 VanDerWaalsContact O-CG 3.32Å; E163-L167 WeakPolarHBondContact O-CG 3.27Å; E163-L167 PolarHBondContact O-N 3.18Å; L164-L167 WeakPolarHBondContact O-CB 3.2Å; L164-L167 PolarHBondContact O-N 2.67Å; L167-W170 HydrophobicContact CD2-CE3 4.4Å; L167-I171 PolarHBondContact O-N 3.31Å; L167-I230 HydrophobicContact CB-CD1 4.01Å; L167-I230 HydrophobicContact CB-CG2 3.88Å; L167-I230 HydrophobicContact CD1-CG2 4.35Å; L167-I230 HydrophobicContact CD2-CG2 3.98Å; L167-I230 HydrophobicContact CG-CG2 4.3Å; L167-I251 HydrophobicContact CD1-CD1 4.13Å; L167-I251 HydrophobicContact CD2-CD1 3.98Å; L167-I251 HydrophobicContact CG-CD1 4.31Å; L167-R328 HydrophobicContact CD1-CB 4.08Å; L167-P330 HydrophobicContact CD2-CB 3.77Å; L167-P330 HydrophobicContact CD2-CG 4.11Å
168	V	95.1	Very high	93.5	Very high	55 Å²	55	25.2 Å²	25.2	33%	0.333	14%	0.136	S	C	.	.	H	α-helix	trans	-71.1	-42.9	175.7	177.5	0	0	0	0	110.9	F154 L164 E165 V166 W170 I171 V172 I230	F154-V168 HydrophobicContact CE2-CB 4.16Å; F154-V168 HydrophobicContact CE2-CG1 3.82Å; F154-V168 HydrophobicContact CZ-CG1 4.48Å; L164-V168 HydrophobicContact CD1-CG2 4.39Å; L164-V168 WeakPolarHBondContact O-CG2 3.39Å; L164-V168 PolarHBondContact O-N 3.17Å; E165-V168 PolarHBondContact O-N 2.8Å; V166-V168 VanDerWaalsContact C-N 3.33Å; V166-V168 PolarHBondContact O-N 3.31Å; V168-W170 VanDerWaalsContact C-N 3.28Å; V168-W170 PolarHBondContact O-N 3.31Å; V168-I171 PolarHBondContact O-N 2.9Å; V168-V172 HydrophobicContact CG1-CG2 4.27Å; V168-V172 WeakPolarHBondContact O-CG2 3.14Å; V168-V172 PolarHBondContact O-N 2.88Å; V168-I230 HydrophobicContact CG2-CD1 3.91Å
169	Y	96.4	Very high	94.2	Very high	12 Å²	12	25.1 Å²	25.1	5%	0.047	14%	0.135	C	C	.	.	H	α-helix	trans	-58.2	-43.1	176	178.4	-97.8	0	0	0	111.3	C152 F154 E165 V166 I171 V172 N173 G174 I175	C152-Y169 VanDerWaalsContact CB-OH 3.27Å; C152-Y169 WeakPolarHBondContact CB-OH 3.44Å; C152-Y169 WeakPolarHBondContact O-CE2 3.44Å; F154-Y169 HydrophobicContact CZ-CD2 4.46Å; E165-Y169 VanDerWaalsContact O-CB 3.27Å; E165-Y169 WeakPolarHBondContact O-CB 3.11Å; E165-Y169 PolarHBondContact O-N 3.4Å; V166-Y169 PolarHBondContact O-N 3.49Å; Y169-I171 VanDerWaalsContact C-N 3.34Å; Y169-I171 PolarHBondContact O-N 2.96Å; Y169-V172 PolarHBondContact O-N 2.84Å; Y169-N173 HydrophobicContact CD2-CB 3.89Å; Y169-N173 HydrophobicContact CE1-CB 4.25Å; Y169-N173 HydrophobicContact CE2-CB 3.57Å; Y169-N173 HydrophobicContact CG-CB 4.37Å; Y169-N173 WeakPolarHBondContact O-CA 3.33Å; Y169-N173 WeakPolarHBondContact O-CB 3.5Å; Y169-N173 PolarHBondContact O-N 3.08Å; Y169-G174 WeakPolarHBondContact CE1-O 3.34Å; Y169-G174 PolarHBondContact O-N 3.15Å; Y169-I175 HydrophobicContact CD1-CD1 4.36Å; Y169-I175 HydrophobicContact CD1-CG1 3.84Å; Y169-I175 HydrophobicContact CE1-CG1 3.95Å
170	W	98.1	Very high	94.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-59.9	-39	176.6	176	50.4	0	0	0	113.8	I128 V166 L167 V168 G174 I175 F225 Y226 G227 I230 P330 I331 P332	I128-W170 HydrophobicContact CB-CZ2 4.48Å; I128-W170 HydrophobicContact CD1-CB 4.35Å; I128-W170 HydrophobicContact CD1-CD2 3.74Å; I128-W170 HydrophobicContact CD1-CE3 3.91Å; I128-W170 HydrophobicContact CD1-CG 3.96Å; I128-W170 HydrophobicContact CD1-CZ3 4.44Å; I128-W170 HydrophobicContact CG1-CD2 4.27Å; I128-W170 HydrophobicContact CG1-CE3 4.21Å; I128-W170 HydrophobicContact CG1-CH2 4.28Å; I128-W170 HydrophobicContact CG1-CZ2 4.39Å; I128-W170 HydrophobicContact CG1-CZ3 4.23Å; I128-W170 HydrophobicContact CG2-CD2 4.2Å; I128-W170 HydrophobicContact CG2-CH2 3.9Å; I128-W170 HydrophobicContact CG2-CZ2 3.32Å; V166-W170 VanDerWaalsContact O-CB 3.32Å; V166-W170 WeakPolarHBondContact O-CB 3.41Å; V166-W170 PolarHBondContact O-N 3.2Å; L167-W170 HydrophobicContact CD2-CE3 4.4Å; V168-W170 VanDerWaalsContact C-N 3.28Å; V168-W170 PolarHBondContact O-N 3.31Å; W170-G174 WeakPolarHBondContact O-CA 3.13Å; W170-G174 PolarHBondContact O-N 2.82Å; W170-I175 HydrophobicContact CB-CD1 3.65Å; W170-I175 HydrophobicContact CB-CG1 4.2Å; W170-I175 HydrophobicContact CG-CD1 4.06Å; W170-F225 PolarHBondContact NE1-O 2.94Å; W170-F225 VanDerWaalsContact NE1-O 3.11Å; W170-Y226 VanDerWaalsContact CE2-C 3.42Å; W170-Y226 WeakPolarHBondContact CZ2-O 3.3Å; W170-Y226 VanDerWaalsContact NE1-C 3.28Å; W170-G227 VanDerWaalsContact CH2-CA 3.41Å; W170-G227 VanDerWaalsContact CZ3-CA 3.47Å; W170-G227 PolarHBondContact O-N 3.11Å; W170-I230 HydrophobicContact CE3-CG2 4.49Å; W170-I230 HydrophobicContact CZ3-CG2 4.38Å; W170-P330 HydrophobicContact CE3-CB 4.26Å; W170-P330 HydrophobicContact CH2-CB 3.8Å; W170-P330 HydrophobicContact CZ3-CB 3.37Å; W170-I331 VanDerWaalsContact CH2-O 3.3Å; W170-I331 WeakPolarHBondContact CH2-O 3.38Å; W170-P332 VanDerWaalsContact CH2-CA 3.47Å; W170-P332 HydrophobicContact CH2-CB 4.07Å; W170-P332 HydrophobicContact CZ2-CB 3.87Å
171	I	97.7	Very high	95.5	Very high	59 Å²	59	25.7 Å²	25.7	30%	0.303	14%	0.137	S	C	.	.	H	α-helix	trans	-68	-46.4	174.8	-70.8	172.2	0	0	0	111	L167 V168 Y169 I230	L167-I171 PolarHBondContact O-N 3.31Å; V168-I171 PolarHBondContact O-N 2.9Å; Y169-I171 VanDerWaalsContact C-N 3.34Å; Y169-I171 PolarHBondContact O-N 2.96Å; I171-I230 HydrophobicContact CD1-CB 4.24Å; I171-I230 HydrophobicContact CD1-CD1 4.01Å; I171-I230 HydrophobicContact CD1-CG1 3.73Å; I171-I230 HydrophobicContact CD1-CG2 3.7Å; I171-I230 HydrophobicContact CG1-CG2 4.42Å
172	V	97.1	Very high	95.9	Very high	92 Å²	92	29.5 Å²	29.5	56%	0.558	15%	0.152	S	C	*	.	H	α-helix	trans	-81.5	-42	-169.2	177.3	0	0	0	0	112.4	V168 Y169	V168-V172 HydrophobicContact CG1-CG2 4.27Å; V168-V172 WeakPolarHBondContact O-CG2 3.14Å; V168-V172 PolarHBondContact O-N 2.88Å; Y169-V172 PolarHBondContact O-N 2.84Å
173	N	97.7	Very high	96.1	Very high	58 Å²	58	31.7 Å²	31.7	31%	0.31	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-20.7	-169.2	-66.4	88.9	0	0	0	113.3	Y169 K224 Y226	Y169-N173 HydrophobicContact CD2-CB 3.89Å; Y169-N173 HydrophobicContact CE1-CB 4.25Å; Y169-N173 HydrophobicContact CE2-CB 3.57Å; Y169-N173 HydrophobicContact CG-CB 4.37Å; Y169-N173 WeakPolarHBondContact O-CA 3.33Å; Y169-N173 WeakPolarHBondContact O-CB 3.5Å; Y169-N173 PolarHBondContact O-N 3.08Å; N173-K224 VanDerWaalsContact O-CD 3.31Å; N173-K224 WeakPolarHBondContact O-CD 3.3Å; N173-K224 WeakPolarHBondContact O-CE 3.25Å; N173-Y226 VanDerWaalsContact C-CE1 3.46Å
174	G	98.2	Very high	96.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.186	C	C	.	.			trans	73	161.1	-168.4	0	0	0	0	0	112	Y169 W170 F225 Y226	Y169-G174 WeakPolarHBondContact CE1-O 3.34Å; Y169-G174 PolarHBondContact O-N 3.15Å; W170-G174 WeakPolarHBondContact O-CA 3.13Å; W170-G174 PolarHBondContact O-N 2.82Å; G174-F225 CarbonylContact C-O 3.58Å; G174-F225 WeakPolarHBondContact CA-O 3.36Å; G174-Y226 VanDerWaalsContact N-CE1 3.34Å
175	I	98.6	Very high	96.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-126.6	134.4	176.4	-65.3	167.1	0	0	0	108.3	V125 L144 N148 V149 V166 Y169 W170 F225	V125-I175 HydrophobicContact CG1-CD1 4.4Å; L144-I175 HydrophobicContact CB-CG2 3.97Å; L144-I175 HydrophobicContact CD1-CB 4.25Å; L144-I175 HydrophobicContact CD1-CG2 4.31Å; N148-I175 HydrophobicContact CB-CG2 4.43Å; V149-I175 HydrophobicContact CG2-CD1 3.46Å; V149-I175 VanDerWaalsContact CG2-CD1 3.46Å; V149-I175 HydrophobicContact CG2-CG1 3.89Å; V149-I175 HydrophobicContact CG2-CG2 4.16Å; V166-I175 HydrophobicContact CG1-CD1 4.12Å; Y169-I175 HydrophobicContact CD1-CD1 4.36Å; Y169-I175 HydrophobicContact CD1-CG1 3.84Å; Y169-I175 HydrophobicContact CE1-CG1 3.95Å; W170-I175 HydrophobicContact CB-CD1 3.65Å; W170-I175 HydrophobicContact CB-CG1 4.2Å; W170-I175 HydrophobicContact CG-CD1 4.06Å; I175-F225 PolarHBondContact N-O 2.86Å; I175-F225 PolarHBondContact O-N 3.49Å
176	V	98.6	Very high	96.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.189	C	C	.	.			trans	-80.8	166.2	176	-59.7	0	0	0	0	112.1	S145 N148 C187 Q188 Y220 D223 K224	S145-V176 VanDerWaalsContact CB-O 3.25Å; S145-V176 WeakPolarHBondContact CB-O 3.35Å; S145-V176 PolarHBondContact N-O 2.93Å; N148-V176 HydrophobicContact CB-CG2 3.82Å; V176-C187 HydrophobicContact CB-CB 3.84Å; V176-C187 HydrophobicContact CG2-CB 3.94Å; V176-Q188 HydrophobicContact CG2-CB 4.1Å; V176-Q188 HydrophobicContact CG2-CG 4.04Å; V176-Y220 HydrophobicContact CB-CE2 4.46Å; V176-Y220 HydrophobicContact CG1-CD2 3.68Å; V176-Y220 HydrophobicContact CG1-CE2 3.61Å; V176-Y220 HydrophobicContact CG1-CG 4.21Å; V176-Y220 VanDerWaalsContact CG1-O 3.31Å; V176-Y220 WeakPolarHBondContact CG1-O 3.32Å; V176-Y220 HydrophobicContact CG2-CD2 4.37Å; V176-Y220 HydrophobicContact CG2-CE2 3.98Å; V176-D223 WeakPolarHBondContact CA-O 3.47Å; V176-D223 HydrophobicContact CB-CB 4.37Å; V176-D223 HydrophobicContact CG1-CB 4.28Å; V176-K224 HydrophobicContact CG1-CG 3.78Å
177	T	98.6	Very high	96.7	Very high	12 Å²	12	35.3 Å²	35.3	7%	0.074	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-72.3	155.8	174.8	64.2	0	0	0	0	112.4	A142 Q143 G186 C187 Q188 Y216 D223 F225	A142-T177 HydrophobicContact CB-CG2 4.21Å; Q143-T177 CarbonylContact O-C 3.09Å; Q143-T177 WeakPolarHBondContact O-CA 3.33Å; Q143-T177 WeakPolarHBondContact O-CB 3.37Å; T177-G186 WeakPolarHBondContact OG1-CA 3.46Å; T177-C187 WeakPolarHBondContact O-CB 3.4Å; T177-C187 PolarHBondContact O-N 3.03Å; T177-C187 PolarHBondContact OG1-N 3.26Å; T177-Q188 PolarHBondContact O-N 2.86Å; T177-Y216 PolarHBondContact OG1-OH 2.82Å; T177-Y216 VanDerWaalsContact OG1-OH 3.07Å; T177-D223 VanDerWaalsContact CB-OD2 3.3Å; T177-D223 WeakPolarHBondContact CB-OD2 3.18Å; T177-D223 WeakPolarHBondContact CG2-OD2 3.4Å; T177-D223 PolarHBondContact N-OD2 2.86Å; T177-D223 PolarHBondContact OG1-OD1 2.86Å; T177-D223 PolarHBondContact OG1-OD2 3.01Å; T177-F225 HydrophobicContact CG2-CD2 4.24Å; T177-F225 HydrophobicContact CG2-CE2 3.59Å; T177-F225 HydrophobicContact CG2-CZ 4.34Å
178	G	98	Very high	96.8	Very high	3 Å²	3	35.4 Å²	35.4	3%	0.031	19%	0.189	C	C	.	.			trans	-176	124.9	175.9	0	0	0	0	0	113.5	Q143 Q188	Q143-G178 PolarHBondContact NE2-O 3.11Å; Q143-G178 PolarHBondContact O-N 3.48Å; G178-Q188 WeakPolarHBondContact CA-O 3.11Å
179	G	96.8	Very high	96.9	Very high	3 Å²	3	33 Å²	33	3%	0.031	17%	0.174	C	C	.	.			trans	-72.9	-174.3	176.2	0	0	0	0	0	114.3	D183 S185 Y190	G179-D183 CarbonylContact C-O 3.54Å; G179-D183 VanDerWaalsContact CA-O 3.27Å; G179-D183 WeakPolarHBondContact CA-O 3.3Å; G179-S185 PolarHBondContact N-O 2.9Å; G179-Y190 PolarHBondContact O-N 2.8Å
180	S	95.8	Very high	96.9	Very high	19 Å²	19	32.7 Å²	32.7	13%	0.133	17%	0.173	C	C	.	.			trans	-76.4	173.9	168.5	53.8	0	0	0	0	111.5	E182 D183	S180-E182 VanDerWaalsContact C-N 3.25Å; S180-E182 PolarHBondContact O-N 3.48Å; S180-D183 PolarHBondContact N-O 3.01Å; S180-D183 CarbonylContact O-C 3.58Å; S180-D183 PolarHBondContact O-N 3.32Å; S180-D183 VanDerWaalsContact O-N 3.09Å; S180-D183 WeakPolarHBondContact OG-CB 3.43Å; S180-D183 PolarHBondContact OG-N 2.99Å
181	Y	94.5	Very high	96.7	Very high	111 Å²	111	34.5 Å²	34.5	44%	0.435	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-34.5	171.3	-177.5	-88.5	0	0	0	113	D183 Q184 Y190 P191 F192 S193	Y181-D183 PolarHBondContact O-N 3.42Å; Y181-Q184 PolarHBondContact O-NE2 2.79Å; Y181-Y190 WeakPolarHBondContact CA-O 3.28Å; Y181-P191 WeakPolarHBondContact CD2-O 3.18Å; Y181-F192 VanDerWaalsContact CB-C 3.45Å; Y181-F192 WeakPolarHBondContact CB-O 3.26Å; Y181-S193 VanDerWaalsContact CD1-CB 3.49Å
182	E	93.9	Very high	96.5	Very high	89 Å²	89	32.5 Å²	32.5	42%	0.416	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-11.2	177	-58	75.5	-147.7	0	0	113.2	S180 R194	S180-E182 VanDerWaalsContact C-N 3.25Å; S180-E182 PolarHBondContact O-N 3.48Å; E182-R194 VanDerWaalsContact CD-NE 3.31Å; E182-R194 WeakPolarHBondContact OE1-CG 3.3Å; E182-R194 PolarHBondContact OE1-N 2.86Å; E182-R194 IonicContact OE1-NE 2.81Å; E182-R194 IonicContact OE2-CZ 3.46Å; E182-R194 IonicContact OE2-NE 3.27Å; E182-R194 PolarHBondContact OE2-NE 2.99Å; E182-R194 IonicContact OE2-NH2 3.71Å; E182-R194 PolarHBondContact OE2-NH2 3.49Å
183	D	94.5	Very high	96.3	Very high	72 Å²	72	29.1 Å²	29.1	39%	0.385	16%	0.155	S	C	.	.			trans	-129.4	90.6	178.5	174.4	27	0	0	0	108.3	G179 S180 Y181 S185	G179-D183 CarbonylContact C-O 3.54Å; G179-D183 VanDerWaalsContact CA-O 3.27Å; G179-D183 WeakPolarHBondContact CA-O 3.3Å; S180-D183 PolarHBondContact N-O 3.01Å; S180-D183 CarbonylContact O-C 3.58Å; S180-D183 PolarHBondContact O-N 3.32Å; S180-D183 VanDerWaalsContact O-N 3.09Å; S180-D183 WeakPolarHBondContact OG-CB 3.43Å; S180-D183 PolarHBondContact OG-N 2.99Å; Y181-D183 PolarHBondContact O-N 3.42Å; D183-S185 VanDerWaalsContact CG-OG 3.24Å; D183-S185 PolarHBondContact O-N 3.05Å; D183-S185 VanDerWaalsContact OD1-CB 3.31Å; D183-S185 WeakPolarHBondContact OD1-CB 3.29Å; D183-S185 PolarHBondContact OD1-N 2.85Å; D183-S185 PolarHBondContact OD1-OG 2.78Å; D183-S185 PolarHBondContact OD2-OG 3.25Å
184	Q	94.5	Very high	96.2	Very high	99 Å²	99	30.8 Å²	30.8	46%	0.463	16%	0.157	S	C	.	.			trans	-72.6	36.8	-177.7	-62.9	-68.5	-45.9	0	0	112.3	Y181 P189 Q213	Y181-Q184 PolarHBondContact O-NE2 2.79Å; Q184-P189 HydrophobicContact CB-CG 4.35Å; Q184-Q213 PolarHBondContact O-NE2 3.45Å
185	S	95.8	Very high	96	Very high	44 Å²	44	32.5 Å²	32.5	31%	0.308	16%	0.163	S	C	.	.			trans	-82	158.2	177	66.6	0	0	0	0	112.3	G179 D183	G179-S185 PolarHBondContact N-O 2.9Å; D183-S185 VanDerWaalsContact CG-OG 3.24Å; D183-S185 PolarHBondContact O-N 3.05Å; D183-S185 VanDerWaalsContact OD1-CB 3.31Å; D183-S185 WeakPolarHBondContact OD1-CB 3.29Å; D183-S185 PolarHBondContact OD1-N 2.85Å; D183-S185 PolarHBondContact OD1-OG 2.78Å; D183-S185 PolarHBondContact OD2-OG 3.25Å
186	G	97.5	Very high	95.7	Very high	13 Å²	13	35.5 Å²	35.5	13%	0.134	18%	0.183	C	C	.	.	S	Bend	trans	80.2	-173.4	176.8	0	0	0	0	0	114.6	T177 Q213 Y216	T177-G186 WeakPolarHBondContact OG1-CA 3.46Å; G186-Q213 PolarHBondContact O-NE2 3.47Å; G186-Y216 VanDerWaalsContact C-CE2 3.4Å; G186-Y216 VanDerWaalsContact CA-CE2 3.49Å; G186-Y216 VanDerWaalsContact O-CD2 3.32Å; G186-Y216 WeakPolarHBondContact O-CD2 3.39Å
187	C	98.4	Very high	95.3	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	-72.6	-47.4	-176.9	176.3	0	0	0	0	112.7	V176 T177 C212 Q213 Y216 D223	V176-C187 HydrophobicContact CB-CB 3.84Å; V176-C187 HydrophobicContact CG2-CB 3.94Å; T177-C187 WeakPolarHBondContact O-CB 3.4Å; T177-C187 PolarHBondContact O-N 3.03Å; T177-C187 PolarHBondContact OG1-N 3.26Å; C187-C212 HydrophobicContact CB-CB 3.84Å; C187-C212 WeakPolarHBondContact CB-SG 3.45Å; C187-C212 CarbonylContact O-C 3.4Å; C187-C212 WeakPolarHBondContact O-CA 3.37Å; C187-C212 WeakPolarHBondContact SG-CA 3.3Å; C187-C212 WeakPolarHBondContact SG-CB 3.15Å; C187-C212 CovalentContact SG-SG 2.03Å; C187-C212 PolarHBondContact SG-SG 2.95Å; C187-Q213 PolarHBondContact O-N 2.87Å; C187-Y216 HydrophobicContact CB-CD1 3.97Å; C187-Y216 HydrophobicContact CB-CE1 3.73Å; C187-D223 HydrophobicContact CB-CB 4.28Å; C187-D223 WeakPolarHBondContact CB-OD2 3.45Å
188	Q	97.6	Very high	94.9	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.009	21%	0.21	C	C	.	.	S	Bend	trans	-133.3	83.9	-175.1	-70.2	-173.4	-24	0	0	111.1	S145 R147 N148 V176 T177 G178 T209 E211	S145-Q188 WeakPolarHBondContact CB-O 3.44Å; S145-Q188 PolarHBondContact OG-O 2.86Å; R147-Q188 HydrophobicContact CG-CB 4.49Å; N148-Q188 VanDerWaalsContact CB-OE1 3.26Å; N148-Q188 PolarHBondContact ND2-OE1 3.09Å; V176-Q188 HydrophobicContact CG2-CB 4.1Å; V176-Q188 HydrophobicContact CG2-CG 4.04Å; T177-Q188 PolarHBondContact O-N 2.86Å; G178-Q188 WeakPolarHBondContact CA-O 3.11Å; Q188-T209 PolarHBondContact NE2-O 3.41Å; Q188-E211 PolarHBondContact NE2-O 3.34Å
189	P	97	Very high	94.3	Very high	4 Å²	4	44.9 Å²	44.9	3%	0.026	22%	0.224	C	C	.	.			trans	-60	156.2	175.9	-19.9	29.9	0	0	0	113	R147 Q184	R147-P189 WeakPolarHBondContact CB-O 3.32Å; R147-P189 WeakPolarHBondContact CD-O 3.41Å; Q184-P189 HydrophobicContact CB-CG 4.35Å
190	Y	96.1	Very high	93.8	Very high	7 Å²	7	50.4 Å²	50.4	3%	0.027	25%	0.253	C	S	.	.			trans	-63.2	133.6	176.9	-163	-117.7	0	0	0	111.7	E113 C116 F122 A146 I150 G179 Y181 F192	E113-Y190 PolarHBondContact O-OH 3.5Å; C116-Y190 WeakPolarHBondContact CB-OH 3.38Å; F122-Y190 HydrophobicContact CE2-CD2 4.3Å; F122-Y190 HydrophobicContact CE2-CE1 4.05Å; F122-Y190 AromaticContact CE2-CE2 3.76Å; F122-Y190 HydrophobicContact CE2-CE2 3.76Å; F122-Y190 AromaticContact CE2-CZ 3.61Å; F122-Y190 AromaticContact CZ-CD1 3.92Å; F122-Y190 HydrophobicContact CZ-CD1 3.92Å; F122-Y190 AromaticContact CZ-CD2 3.74Å; F122-Y190 HydrophobicContact CZ-CD2 3.74Å; F122-Y190 AromaticContact CZ-CE1 3.83Å; F122-Y190 HydrophobicContact CZ-CE1 3.83Å; F122-Y190 AromaticContact CZ-CE2 3.68Å; F122-Y190 HydrophobicContact CZ-CE2 3.68Å; F122-Y190 AromaticContact CZ-CG 3.87Å; F122-Y190 HydrophobicContact CZ-CG 3.87Å; F122-Y190 AromaticContact CZ-CZ 3.72Å; A146-Y190 HydrophobicContact CB-CD2 4Å; A146-Y190 HydrophobicContact CB-CE2 4.26Å; I150-Y190 HydrophobicContact CD1-CE2 3.71Å; G179-Y190 PolarHBondContact O-N 2.8Å; Y181-Y190 WeakPolarHBondContact CA-O 3.28Å; Y190-F192 HydrophobicContact CD1-CB 4.28Å; Y190-F192 VanDerWaalsContact CD1-O 3.32Å; Y190-F192 WeakPolarHBondContact CD1-O 2.92Å; Y190-F192 HydrophobicContact CE1-CB 3.87Å; Y190-F192 AromaticContact CE1-CD2 3.82Å; Y190-F192 HydrophobicContact CE1-CD2 3.82Å; Y190-F192 HydrophobicContact CE1-CG 4.33Å; Y190-F192 HydrophobicContact CE2-CD2 4.41Å; Y190-F192 AromaticContact CZ-CD2 3.7Å; Y190-F192 PolarHBondContact O-N 3.33Å
191	P	93.5	Very high	93.2	Very high	38 Å²	38	52.2 Å²	52.2	25%	0.247	26%	0.263	C	S	.	.	S	Bend	trans	-85	-5.7	-168.9	34.5	-37.5	0	0	0	114.4	Y181 P206	Y181-P191 WeakPolarHBondContact CD2-O 3.18Å; P191-P206 HydrophobicContact CB-CG 3.86Å; P191-P206 HydrophobicContact CG-CG 4.29Å
192	F	94.1	Very high	92.5	Very high	16 Å²	16	53.4 Å²	53.4	7%	0.07	28%	0.277	C	S	.	.	S	Bend	trans	-118.4	132.5	-176	-48.4	-55.9	0	0	0	110.9	C116 Y181 Y190 C198 V201 Y203 F205	C116-F192 HydrophobicContact CB-CD2 4.19Å; C116-F192 HydrophobicContact CB-CE2 4.17Å; Y181-F192 VanDerWaalsContact CB-C 3.45Å; Y181-F192 WeakPolarHBondContact CB-O 3.26Å; Y190-F192 HydrophobicContact CD1-CB 4.28Å; Y190-F192 VanDerWaalsContact CD1-O 3.32Å; Y190-F192 WeakPolarHBondContact CD1-O 2.92Å; Y190-F192 HydrophobicContact CE1-CB 3.87Å; Y190-F192 AromaticContact CE1-CD2 3.82Å; Y190-F192 HydrophobicContact CE1-CD2 3.82Å; Y190-F192 HydrophobicContact CE1-CG 4.33Å; Y190-F192 HydrophobicContact CE2-CD2 4.41Å; Y190-F192 AromaticContact CZ-CD2 3.7Å; Y190-F192 PolarHBondContact O-N 3.33Å; F192-C198 HydrophobicContact CB-CB 4.46Å; F192-V201 HydrophobicContact CD1-CG2 4.17Å; F192-V201 HydrophobicContact CE1-CG2 4.45Å; F192-Y203 HydrophobicContact CD1-CD1 4.22Å; F192-Y203 HydrophobicContact CD1-CE1 4.46Å; F192-Y203 AromaticContact CD2-CD1 3.99Å; F192-Y203 HydrophobicContact CD2-CD1 3.99Å; F192-Y203 HydrophobicContact CD2-CE1 4.21Å; F192-Y203 HydrophobicContact CE1-CD1 4.07Å; F192-Y203 AromaticContact CE2-CD1 3.83Å; F192-Y203 HydrophobicContact CE2-CD1 3.83Å; F192-Y203 HydrophobicContact CG-CD1 4.19Å; F192-Y203 HydrophobicContact CG-CE1 4.19Å; F192-Y203 AromaticContact CZ-CD1 3.87Å; F192-Y203 HydrophobicContact CZ-CD1 3.87Å; F192-F205 HydrophobicContact CZ-CB 4.06Å
193	S	93.8	Very high	91.9	Very high	22 Å²	22	50 Å²	50	15%	0.154	26%	0.26	C	S	.	.			trans	-62.4	176.9	172.4	59.5	0	0	0	0	112.3	Y181 E197 C198	Y181-S193 VanDerWaalsContact CD1-CB 3.49Å; S193-E197 WeakPolarHBondContact OG-CB 3.31Å; S193-C198 PolarHBondContact O-SG 3.05Å; S193-C198 WeakPolarHBondContact OG-CB 3.41Å; S193-C198 PolarHBondContact OG-N 3.31Å
194	R	94.2	Very high	90.9	Very high	92 Å²	92	54 Å²	54	35%	0.347	28%	0.277	S	S	.	.			trans	-68.3	157.4	170.2	-68.8	170.8	-161.1	178.7	8.7	112.8	D112 E182 E197 C198	D112-R194 HydrophobicContact CB-CB 4.32Å; D112-R194 HydrophobicContact CB-CG 3.78Å; D112-R194 WeakPolarHBondContact OD2-CA 3.45Å; E182-R194 VanDerWaalsContact CD-NE 3.31Å; E182-R194 WeakPolarHBondContact OE1-CG 3.3Å; E182-R194 PolarHBondContact OE1-N 2.86Å; E182-R194 IonicContact OE1-NE 2.81Å; E182-R194 IonicContact OE2-CZ 3.46Å; E182-R194 IonicContact OE2-NE 3.27Å; E182-R194 PolarHBondContact OE2-NE 2.99Å; E182-R194 IonicContact OE2-NH2 3.71Å; E182-R194 PolarHBondContact OE2-NH2 3.49Å; R194-E197 PolarHBondContact O-N 2.78Å; R194-E197 VanDerWaalsContact O-N 3.13Å; R194-C198 PolarHBondContact O-N 3.48Å; R194-C198 PolarHBondContact O-SG 3.49Å
195	Y	93.7	Very high	90.1	Very high	36 Å²	36	52.8 Å²	52.8	14%	0.141	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	138	169.8	-173.7	-80	0	0	0	109.7	R54 D60 D112 C198 K199	R54-Y195 HydrophobicContact CB-CD1 3.56Å; R54-Y195 HydrophobicContact CB-CE1 3.77Å; R54-Y195 HydrophobicContact CB-CG 4.06Å; D60-Y195 HydrophobicContact CB-CE2 4.31Å; D60-Y195 PolarHBondContact OD2-OH 3.13Å; D112-Y195 PolarHBondContact OD2-N 3.4Å; Y195-C198 PolarHBondContact N-SG 3.22Å; Y195-K199 HydrophobicContact CD2-CB 4.09Å; Y195-K199 HydrophobicContact CE2-CB 3.67Å
196	P	92.6	Very high	89.4	Confident	63 Å²	63	52.2 Å²	52.2	41%	0.409	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	cis	-92.8	-2.9	12.2	36	-36.9	0	0	0	116.2	C198 K199	P196-C198 VanDerWaalsContact C-N 3.27Å; P196-C198 PolarHBondContact O-N 2.78Å; P196-K199 HydrophobicContact CB-CD 4.33Å; P196-K199 WeakPolarHBondContact O-CB 3.31Å; P196-K199 WeakPolarHBondContact O-CD 3.43Å; P196-K199 VanDerWaalsContact O-CG 3.24Å; P196-K199 WeakPolarHBondContact O-CG 3.43Å; P196-K199 PolarHBondContact O-N 3.44Å; P196-K199 VanDerWaalsContact O-N 3.11Å
197	E	91.5	Very high	89	Confident	135 Å²	135	56.2 Å²	56.2	63%	0.631	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-37.3	-170.2	-68.2	72.7	-159	0	0	112.5	S193 R194	S193-E197 WeakPolarHBondContact OG-CB 3.31Å; R194-E197 PolarHBondContact O-N 2.78Å; R194-E197 VanDerWaalsContact O-N 3.13Å
198	C	88.7	Confident	88.8	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.007	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	5	-179.8	49	0	0	0	0	114.6	C114 F192 S193 R194 Y195 P196 D200 V201 Y203	C114-C198 HydrophobicContact CB-CB 3.99Å; C114-C198 WeakPolarHBondContact CB-SG 3.34Å; C114-C198 WeakPolarHBondContact SG-CB 3.41Å; C114-C198 CovalentContact SG-SG 1.96Å; C114-C198 PolarHBondContact SG-SG 3.32Å; F192-C198 HydrophobicContact CB-CB 4.46Å; S193-C198 PolarHBondContact O-SG 3.05Å; S193-C198 WeakPolarHBondContact OG-CB 3.41Å; S193-C198 PolarHBondContact OG-N 3.31Å; R194-C198 PolarHBondContact O-N 3.48Å; R194-C198 PolarHBondContact O-SG 3.49Å; Y195-C198 PolarHBondContact N-SG 3.22Å; P196-C198 VanDerWaalsContact C-N 3.27Å; P196-C198 PolarHBondContact O-N 2.78Å; C198-D200 VanDerWaalsContact C-N 3.27Å; C198-D200 PolarHBondContact O-N 2.91Å; C198-V201 HydrophobicContact CB-CG1 4.33Å; C198-V201 WeakPolarHBondContact O-CG2 3.36Å; C198-V201 PolarHBondContact O-N 2.88Å; C198-Y203 PolarHBondContact O-OH 2.84Å
199	K	86.4	Confident	88.6	Confident	76 Å²	76	61.4 Å²	61.4	33%	0.33	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-31.9	-169.6	73.6	-171.4	179.2	-177.5	0	114.4	K63 Y195 P196	K63-K199 PolarHBondContact NZ-O 2.88Å; Y195-K199 HydrophobicContact CD2-CB 4.09Å; Y195-K199 HydrophobicContact CE2-CB 3.67Å; P196-K199 HydrophobicContact CB-CD 4.33Å; P196-K199 WeakPolarHBondContact O-CB 3.31Å; P196-K199 WeakPolarHBondContact O-CD 3.43Å; P196-K199 VanDerWaalsContact O-CG 3.24Å; P196-K199 WeakPolarHBondContact O-CG 3.43Å; P196-K199 PolarHBondContact O-N 3.44Å; P196-K199 VanDerWaalsContact O-N 3.11Å
200	D	85.4	Confident	88.6	Confident	119 Å²	119	66.3 Å²	66.3	64%	0.636	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	5.3	-174	-65.9	-45.7	0	0	0	113	C198	C198-D200 VanDerWaalsContact C-N 3.27Å; C198-D200 PolarHBondContact O-N 2.91Å
201	V	83.2	Confident	88.6	Confident	58 Å²	58	72.5 Å²	72.5	35%	0.352	38%	0.378	S	S	.	.	S	Bend	trans	-67.3	148.4	173.5	-53.1	0	0	0	0	109.9	F192 C198 Y203	F192-V201 HydrophobicContact CD1-CG2 4.17Å; F192-V201 HydrophobicContact CE1-CG2 4.45Å; C198-V201 HydrophobicContact CB-CG1 4.33Å; C198-V201 WeakPolarHBondContact O-CG2 3.36Å; C198-V201 PolarHBondContact O-N 2.88Å; V201-Y203 HydrophobicContact CG2-CD1 3.71Å; V201-Y203 HydrophobicContact CG2-CD2 3.78Å; V201-Y203 HydrophobicContact CG2-CE1 3.54Å; V201-Y203 HydrophobicContact CG2-CE2 3.63Å; V201-Y203 HydrophobicContact CG2-CG 3.81Å; V201-Y203 VanDerWaalsContact CG2-CZ 3.48Å; V201-Y203 WeakPolarHBondContact O-CD2 3.42Å; V201-Y203 WeakPolarHBondContact O-CE2 3.35Å; V201-Y203 PolarHBondContact O-N 3.2Å; V201-Y203 VanDerWaalsContact O-N 3.11Å
202	N	80.5	Confident	88.8	Confident	136 Å²	136	71.9 Å²	71.9	73%	0.727	37%	0.374	S	S	*	.			trans	-69.2	-7.2	178.6	-71.5	-17.1	0	0	0	113.1	E204	N202-E204 HydrophobicContact CB-CG 4.1Å; N202-E204 PolarHBondContact O-N 3.34Å; N202-E204 VanDerWaalsContact O-N 3.14Å
203	Y	80.1	Confident	88.9	Confident	16 Å²	16	73.8 Å²	73.8	6%	0.063	38%	0.384	C	S	.	.			trans	49.2	32.4	-169.8	-63.3	-81.8	0	0	0	112.3	K63 C114 C115 C116 F192 C198 V201 F205	K63-Y203 HydrophobicContact CD-CE2 4.45Å; C114-Y203 HydrophobicContact CB-CE1 4.41Å; C114-Y203 PolarHBondContact SG-OH 2.83Å; C115-Y203 WeakPolarHBondContact CA-OH 3.31Å; C115-Y203 HydrophobicContact CB-CE1 4.44Å; C115-Y203 HydrophobicContact CB-CE2 3.75Å; C115-Y203 WeakPolarHBondContact CB-OH 3.27Å; C115-Y203 PolarHBondContact N-OH 2.87Å; C115-Y203 PolarHBondContact SG-OH 3.39Å; C115-Y203 VanDerWaalsContact SG-OH 3.39Å; C116-Y203 HydrophobicContact CB-CD1 3.84Å; C116-Y203 HydrophobicContact CB-CE1 3.98Å; F192-Y203 HydrophobicContact CD1-CD1 4.22Å; F192-Y203 HydrophobicContact CD1-CE1 4.46Å; F192-Y203 AromaticContact CD2-CD1 3.99Å; F192-Y203 HydrophobicContact CD2-CD1 3.99Å; F192-Y203 HydrophobicContact CD2-CE1 4.21Å; F192-Y203 HydrophobicContact CE1-CD1 4.07Å; F192-Y203 AromaticContact CE2-CD1 3.83Å; F192-Y203 HydrophobicContact CE2-CD1 3.83Å; F192-Y203 HydrophobicContact CG-CD1 4.19Å; F192-Y203 HydrophobicContact CG-CE1 4.19Å; F192-Y203 AromaticContact CZ-CD1 3.87Å; F192-Y203 HydrophobicContact CZ-CD1 3.87Å; C198-Y203 PolarHBondContact O-OH 2.84Å; V201-Y203 HydrophobicContact CG2-CD1 3.71Å; V201-Y203 HydrophobicContact CG2-CD2 3.78Å; V201-Y203 HydrophobicContact CG2-CE1 3.54Å; V201-Y203 HydrophobicContact CG2-CE2 3.63Å; V201-Y203 HydrophobicContact CG2-CG 3.81Å; V201-Y203 VanDerWaalsContact CG2-CZ 3.48Å; V201-Y203 WeakPolarHBondContact O-CD2 3.42Å; V201-Y203 WeakPolarHBondContact O-CE2 3.35Å; V201-Y203 PolarHBondContact O-N 3.2Å; V201-Y203 VanDerWaalsContact O-N 3.11Å; Y203-F205 VanDerWaalsContact C-N 3.27Å; Y203-F205 PolarHBondContact O-N 2.95Å
204	E	75.2	Confident	89	Confident	158 Å²	158	80.6 Å²	80.6	74%	0.738	42%	0.418	S	S	*	.			trans	-64.8	96.9	158.1	-72.9	176.4	-154.4	0	0	106	N202	N202-E204 HydrophobicContact CB-CG 4.1Å; N202-E204 PolarHBondContact O-N 3.34Å; N202-E204 VanDerWaalsContact O-N 3.14Å
205	F	77	Confident	89.1	Confident	72 Å²	72	79.8 Å²	79.8	32%	0.316	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-76.3	148.7	177.4	54.9	-83	0	0	0	108.7	P156 F192 Y203	P156-F205 HydrophobicContact CB-CE2 4.38Å; F192-F205 HydrophobicContact CZ-CB 4.06Å; Y203-F205 VanDerWaalsContact C-N 3.27Å; Y203-F205 PolarHBondContact O-N 2.95Å
206	P	80.1	Confident	89.2	Confident	33 Å²	33	81.5 Å²	81.5	21%	0.214	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-55.3	141.9	177.6	-24.8	34.1	0	0	0	111	S151 P191	S151-P206 WeakPolarHBondContact CB-O 3.45Å; S151-P206 PolarHBondContact OG-O 3.17Å; P191-P206 HydrophobicContact CB-CG 3.86Å; P191-P206 HydrophobicContact CG-CG 4.29Å
207	P	89	Confident	89.4	Confident	97 Å²	97	86.1 Å²	86.1	63%	0.63	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-57.9	156.9	173.6	27.1	-34.7	0	0	0	110.2	T209	P207-T209 HydrophobicContact CG-CG2 4.49Å; P207-T209 PolarHBondContact O-N 2.71Å
208	C	94.3	Very high	89.7	Confident	67 Å²	67	84.4 Å²	84.4	45%	0.453	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-61	121.2	170.8	-178.9	0	0	0	0	109.8	S151 C152	S151-C208 WeakPolarHBondContact O-CB 3.32Å; C152-C208 VanDerWaalsContact CA-SG 3.55Å; C152-C208 HydrophobicContact CB-CB 4Å; C152-C208 WeakPolarHBondContact CB-SG 3.46Å; C152-C208 WeakPolarHBondContact SG-CA 3.5Å; C152-C208 WeakPolarHBondContact SG-CB 3.49Å; C152-C208 CovalentContact SG-SG 2.04Å; C152-C208 PolarHBondContact SG-SG 2.69Å
209	T	95.1	Very high	90.1	Very high	44 Å²	44	88 Å²	88	27%	0.27	48%	0.479	S	S	.	.			trans	-127	142.2	172.7	65	0	0	0	0	109.3	Q188 P207 E211	Q188-T209 PolarHBondContact NE2-O 3.41Å; P207-T209 HydrophobicContact CG-CG2 4.49Å; P207-T209 PolarHBondContact O-N 2.71Å; T209-E211 PolarHBondContact O-N 3.32Å
210	N	95.9	Very high	90.6	Very high	106 Å²	106	84.8 Å²	84.8	57%	0.567	47%	0.465	S	S	*	.	S	Bend	trans	-89.9	44	172.4	-65.8	-16.4	0	0	0	110.3	Y220	N210-Y220 VanDerWaalsContact C-CB 3.46Å; N210-Y220 HydrophobicContact CB-CD1 3.73Å; N210-Y220 HydrophobicContact CB-CE1 3.87Å; N210-Y220 HydrophobicContact CB-CG 4.27Å; N210-Y220 WeakPolarHBondContact O-CB 3.31Å; N210-Y220 WeakPolarHBondContact OD1-CE1 3.49Å
211	E	96.9	Very high	91.2	Very high	138 Å²	138	84 Å²	84	65%	0.645	46%	0.457	S	S	*	.			trans	-136.6	138.9	-174.5	-67.2	177.7	179.2	0	0	109.5	Q188 T209	Q188-E211 PolarHBondContact NE2-O 3.34Å; T209-E211 PolarHBondContact O-N 3.32Å
212	C	97.7	Very high	91.9	Very high	24 Å²	24	86.5 Å²	86.5	16%	0.162	47%	0.469	C	S	.	.	P	Polyproline II helix	trans	-81.6	162.6	168.6	-59.6	0	0	0	0	110.4	C187 Y216 Y220	C187-C212 HydrophobicContact CB-CB 3.84Å; C187-C212 WeakPolarHBondContact CB-SG 3.45Å; C187-C212 CarbonylContact O-C 3.4Å; C187-C212 WeakPolarHBondContact O-CA 3.37Å; C187-C212 WeakPolarHBondContact SG-CA 3.3Å; C187-C212 WeakPolarHBondContact SG-CB 3.15Å; C187-C212 CovalentContact SG-SG 2.03Å; C187-C212 PolarHBondContact SG-SG 2.95Å; C212-Y216 HydrophobicContact CB-CD1 3.78Å; C212-Y216 HydrophobicContact CB-CG 4.31Å; C212-Y220 VanDerWaalsContact SG-CA 3.58Å
213	Q	96.5	Very high	92.8	Very high	56 Å²	56	80 Å²	80	26%	0.262	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-58.5	151.2	171.1	64.9	178	-34.3	0	0	112	Q184 G186 C187 G215 Y216	Q184-Q213 PolarHBondContact O-NE2 3.45Å; G186-Q213 PolarHBondContact O-NE2 3.47Å; C187-Q213 PolarHBondContact O-N 2.87Å; Q213-G215 PolarHBondContact O-N 2.86Å; Q213-Y216 WeakPolarHBondContact O-CB 3.41Å; Q213-Y216 PolarHBondContact O-N 3.18Å
214	D	95.5	Very high	93.6	Very high	166 Å²	166	81 Å²	81	89%	0.888	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	136.4	179	-67.3	-28.6	0	0	0	111.6	Y216	D214-Y216 VanDerWaalsContact C-N 3.3Å; D214-Y216 PolarHBondContact O-N 3.24Å
215	G	94.9	Very high	94.8	Very high	75 Å²	75	74.8 Å²	74.8	77%	0.773	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.7	0.2	180	0	0	0	0	0	115.3	Q213	Q213-G215 PolarHBondContact O-N 2.86Å
216	Y	97.1	Very high	95.8	Very high	71 Å²	71	75.4 Å²	75.4	28%	0.278	41%	0.41	S	S	.	.			trans	-73.7	135.9	171.2	-168.9	-115.5	0	0	0	111.5	T177 G186 C187 C212 Q213 D214 K218 D223	T177-Y216 PolarHBondContact OG1-OH 2.82Å; T177-Y216 VanDerWaalsContact OG1-OH 3.07Å; G186-Y216 VanDerWaalsContact C-CE2 3.4Å; G186-Y216 VanDerWaalsContact CA-CE2 3.49Å; G186-Y216 VanDerWaalsContact O-CD2 3.32Å; G186-Y216 WeakPolarHBondContact O-CD2 3.39Å; C187-Y216 HydrophobicContact CB-CD1 3.97Å; C187-Y216 HydrophobicContact CB-CE1 3.73Å; C212-Y216 HydrophobicContact CB-CD1 3.78Å; C212-Y216 HydrophobicContact CB-CG 4.31Å; Q213-Y216 WeakPolarHBondContact O-CB 3.41Å; Q213-Y216 PolarHBondContact O-N 3.18Å; D214-Y216 VanDerWaalsContact C-N 3.3Å; D214-Y216 PolarHBondContact O-N 3.24Å; Y216-K218 VanDerWaalsContact C-N 3.29Å; Y216-K218 HydrophobicContact CD1-CB 4.21Å; Y216-K218 HydrophobicContact CE1-CB 3.82Å; Y216-K218 HydrophobicContact CE1-CG 4.48Å; Y216-K218 PolarHBondContact O-N 3.41Å; Y216-D223 HydrophobicContact CE1-CB 4.16Å; Y216-D223 WeakPolarHBondContact CE1-OD1 3.34Å; Y216-D223 PolarHBondContact OH-OD1 2.87Å
217	N	95.9	Very high	96.6	Very high	161 Å²	161	74.2 Å²	74.2	86%	0.861	40%	0.404	S	S	*	.	S	Bend	trans	-78.7	-3	-167	-69	-23.1	0	0	0	115.4
218	K	97.2	Very high	97.1	Very high	99 Å²	99	76.2 Å²	76.2	43%	0.43	41%	0.405	S	S	.	.	S	Bend	trans	-123.4	151	179.3	-67	-179.8	178	-177.5	0	110.2	Y216 D222 D223	Y216-K218 VanDerWaalsContact C-N 3.29Å; Y216-K218 HydrophobicContact CD1-CB 4.21Å; Y216-K218 HydrophobicContact CE1-CB 3.82Å; Y216-K218 HydrophobicContact CE1-CG 4.48Å; Y216-K218 PolarHBondContact O-N 3.41Å; K218-D222 HydrophobicContact CB-CB 4.42Å; K218-D223 HydrophobicContact CB-CB 4.26Å; K218-D223 HydrophobicContact CD-CB 4.3Å; K218-D223 WeakPolarHBondContact CD-OD1 3.44Å; K218-D223 IonicContact NZ-OD1 2.79Å
219	T	97.6	Very high	97.2	Very high	76 Å²	76	76.9 Å²	76.9	47%	0.466	40%	0.4	S	S	.	.			trans	-69.2	161.2	167.9	74.3	0	0	0	0	110.3	E221 D222 D223	T219-E221 PolarHBondContact O-N 3.28Å; T219-D222 WeakPolarHBondContact CG2-OD2 3.46Å; T219-D222 PolarHBondContact O-N 2.76Å; T219-D222 WeakPolarHBondContact OG1-CB 3.32Å; T219-D222 PolarHBondContact OG1-N 3.26Å; T219-D222 VanDerWaalsContact OG1-N 3.12Å; T219-D222 PolarHBondContact OG1-OD2 2.68Å; T219-D223 WeakPolarHBondContact O-CB 3.34Å; T219-D223 PolarHBondContact O-N 2.74Å; T219-D223 VanDerWaalsContact O-N 3.14Å
220	Y	98.2	Very high	97.3	Very high	8 Å²	8	75.7 Å²	75.7	3%	0.031	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-39.2	175.4	179	-96.6	0	0	0	112.3	N148 V176 N210 C212	N148-Y220 PolarHBondContact ND2-OH 2.65Å; V176-Y220 HydrophobicContact CB-CE2 4.46Å; V176-Y220 HydrophobicContact CG1-CD2 3.68Å; V176-Y220 HydrophobicContact CG1-CE2 3.61Å; V176-Y220 HydrophobicContact CG1-CG 4.21Å; V176-Y220 VanDerWaalsContact CG1-O 3.31Å; V176-Y220 WeakPolarHBondContact CG1-O 3.32Å; V176-Y220 HydrophobicContact CG2-CD2 4.37Å; V176-Y220 HydrophobicContact CG2-CE2 3.98Å; N210-Y220 VanDerWaalsContact C-CB 3.46Å; N210-Y220 HydrophobicContact CB-CD1 3.73Å; N210-Y220 HydrophobicContact CB-CE1 3.87Å; N210-Y220 HydrophobicContact CB-CG 4.27Å; N210-Y220 WeakPolarHBondContact O-CB 3.31Å; N210-Y220 WeakPolarHBondContact OD1-CE1 3.49Å; C212-Y220 VanDerWaalsContact SG-CA 3.58Å
221	E	97.8	Very high	97.3	Very high	102 Å²	102	71.1 Å²	71.1	48%	0.477	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-38.6	179.4	-64.8	-58	139	0	0	112.3	T219 D223 K224	T219-E221 PolarHBondContact O-N 3.28Å; E221-D223 PolarHBondContact O-N 3.38Å; E221-K224 PolarHBondContact O-N 3.44Å; E221-K224 IonicContact OE1-NZ 3.18Å; E221-K224 PolarHBondContact OE1-NZ 3.11Å; E221-K224 WeakPolarHBondContact OE2-CE 3.12Å; E221-K224 IonicContact OE2-NZ 2.76Å; E221-K224 PolarHBondContact OE2-NZ 3.4Å
222	D	97.8	Very high	97.3	Very high	111 Å²	111	65.9 Å²	65.9	59%	0.594	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-15	178.5	-62	-40.5	0	0	0	113.5	K218 T219	K218-D222 HydrophobicContact CB-CB 4.42Å; T219-D222 WeakPolarHBondContact CG2-OD2 3.46Å; T219-D222 PolarHBondContact O-N 2.76Å; T219-D222 WeakPolarHBondContact OG1-CB 3.32Å; T219-D222 PolarHBondContact OG1-N 3.26Å; T219-D222 VanDerWaalsContact OG1-N 3.12Å; T219-D222 PolarHBondContact OG1-OD2 2.68Å
223	D	98.3	Very high	97.3	Very high	0 Å²	0	65 Å²	65	0%	0	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	0.9	179.9	-158.8	65.7	0	0	0	113.7	V176 T177 C187 Y216 K218 T219 E221 F225	V176-D223 WeakPolarHBondContact CA-O 3.47Å; V176-D223 HydrophobicContact CB-CB 4.37Å; V176-D223 HydrophobicContact CG1-CB 4.28Å; T177-D223 VanDerWaalsContact CB-OD2 3.3Å; T177-D223 WeakPolarHBondContact CB-OD2 3.18Å; T177-D223 WeakPolarHBondContact CG2-OD2 3.4Å; T177-D223 PolarHBondContact N-OD2 2.86Å; T177-D223 PolarHBondContact OG1-OD1 2.86Å; T177-D223 PolarHBondContact OG1-OD2 3.01Å; C187-D223 HydrophobicContact CB-CB 4.28Å; C187-D223 WeakPolarHBondContact CB-OD2 3.45Å; Y216-D223 HydrophobicContact CE1-CB 4.16Å; Y216-D223 WeakPolarHBondContact CE1-OD1 3.34Å; Y216-D223 PolarHBondContact OH-OD1 2.87Å; K218-D223 HydrophobicContact CB-CB 4.26Å; K218-D223 HydrophobicContact CD-CB 4.3Å; K218-D223 WeakPolarHBondContact CD-OD1 3.44Å; K218-D223 IonicContact NZ-OD1 2.79Å; T219-D223 WeakPolarHBondContact O-CB 3.34Å; T219-D223 PolarHBondContact O-N 2.74Å; T219-D223 VanDerWaalsContact O-N 3.14Å; E221-D223 PolarHBondContact O-N 3.38Å; D223-F225 WeakPolarHBondContact O-CD2 3.28Å; D223-F225 VanDerWaalsContact O-CE2 3.32Å; D223-F225 WeakPolarHBondContact O-CE2 3.32Å
224	K	98.3	Very high	97.2	Very high	36 Å²	36	67.1 Å²	67.1	16%	0.157	34%	0.343	C	S	.	.			trans	-76.1	133.3	-179.1	-78.3	174.6	177.5	172.2	0	113.1	N173 V176 E221 Y226	N173-K224 VanDerWaalsContact O-CD 3.31Å; N173-K224 WeakPolarHBondContact O-CD 3.3Å; N173-K224 WeakPolarHBondContact O-CE 3.25Å; V176-K224 HydrophobicContact CG1-CG 3.78Å; E221-K224 PolarHBondContact O-N 3.44Å; E221-K224 IonicContact OE1-NZ 3.18Å; E221-K224 PolarHBondContact OE1-NZ 3.11Å; E221-K224 WeakPolarHBondContact OE2-CE 3.12Å; E221-K224 IonicContact OE2-NZ 2.76Å; E221-K224 PolarHBondContact OE2-NZ 3.4Å; K224-Y226 HydrophobicContact CB-CD2 4.41Å; K224-Y226 HydrophobicContact CB-CE2 3.66Å; K224-Y226 WeakPolarHBondContact CD-OH 3.38Å
225	F	98.6	Very high	97.2	Very high	29 Å²	29	61.5 Å²	61.5	13%	0.127	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-109	134.5	170.1	-67	-103	0	0	0	109.7	I132 L140 A142 L144 W170 G174 I175 T177 D223	I132-F225 HydrophobicContact CD1-CB 4Å; I132-F225 HydrophobicContact CD1-CD1 3.81Å; I132-F225 HydrophobicContact CD1-CG 4.11Å; I132-F225 HydrophobicContact CG2-CD1 4.26Å; I132-F225 HydrophobicContact CG2-CE1 4.3Å; L140-F225 HydrophobicContact CD1-CE1 4.09Å; L140-F225 HydrophobicContact CD1-CZ 4.38Å; L140-F225 HydrophobicContact CD2-CE1 3.85Å; L140-F225 HydrophobicContact CG-CE1 4.09Å; A142-F225 HydrophobicContact CB-CD1 4.1Å; A142-F225 HydrophobicContact CB-CD2 4.36Å; A142-F225 HydrophobicContact CB-CE1 3.49Å; A142-F225 VanDerWaalsContact CB-CE1 3.49Å; A142-F225 HydrophobicContact CB-CE2 3.86Å; A142-F225 HydrophobicContact CB-CG 4.49Å; A142-F225 HydrophobicContact CB-CZ 3.38Å; L144-F225 HydrophobicContact CD2-CB 3.85Å; L144-F225 HydrophobicContact CD2-CD2 3.73Å; L144-F225 HydrophobicContact CD2-CG 3.86Å; W170-F225 PolarHBondContact NE1-O 2.94Å; W170-F225 VanDerWaalsContact NE1-O 3.11Å; G174-F225 CarbonylContact C-O 3.58Å; G174-F225 WeakPolarHBondContact CA-O 3.36Å; I175-F225 PolarHBondContact N-O 2.86Å; I175-F225 PolarHBondContact O-N 3.49Å; T177-F225 HydrophobicContact CG2-CD2 4.24Å; T177-F225 HydrophobicContact CG2-CE2 3.59Å; T177-F225 HydrophobicContact CG2-CZ 4.34Å; D223-F225 WeakPolarHBondContact O-CD2 3.28Å; D223-F225 VanDerWaalsContact O-CE2 3.32Å; D223-F225 WeakPolarHBondContact O-CE2 3.32Å
226	Y	98.7	Very high	97.3	Very high	84 Å²	84	60.4 Å²	60.4	33%	0.329	30%	0.296	S	S	.	.			trans	-113.7	152.6	-174.3	-68.4	-94.3	0	0	0	112.3	W170 N173 G174 K224 K333	W170-Y226 VanDerWaalsContact CE2-C 3.42Å; W170-Y226 WeakPolarHBondContact CZ2-O 3.3Å; W170-Y226 VanDerWaalsContact NE1-C 3.28Å; N173-Y226 VanDerWaalsContact C-CE1 3.46Å; G174-Y226 VanDerWaalsContact N-CE1 3.34Å; K224-Y226 HydrophobicContact CB-CD2 4.41Å; K224-Y226 HydrophobicContact CB-CE2 3.66Å; K224-Y226 WeakPolarHBondContact CD-OH 3.38Å; Y226-K333 WeakPolarHBondContact O-CB 3.37Å; Y226-K333 PolarHBondContact O-N 3.23Å
227	G	98.3	Very high	97.3	Very high	8 Å²	8	59.4 Å²	59.4	8%	0.082	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	146.8	171.4	0	0	0	0	0	112.7	W170	W170-G227 VanDerWaalsContact CH2-CA 3.41Å; W170-G227 VanDerWaalsContact CZ3-CA 3.47Å; W170-G227 PolarHBondContact O-N 3.11Å
228	E	97.9	Very high	97.4	Very high	139 Å²	139	56.7 Å²	56.7	65%	0.65	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.1	-48.3	170.4	-176.7	178	171.1	0	0	111.1	I331 K333	E228-I331 PolarHBondContact N-O 3.06Å; E228-K333 HydrophobicContact CB-CB 4.45Å
229	K	97	Very high	97.4	Very high	82 Å²	82	52.1 Å²	52.1	36%	0.357	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	148.2	-175.2	-167.9	178.9	178.7	177.2	0	112	Y231 I331	K229-Y231 HydrophobicContact CD-CD1 4.13Å; K229-Y231 HydrophobicContact CG-CD1 4.16Å; K229-I331 HydrophobicContact CB-CB 4.1Å; K229-I331 HydrophobicContact CB-CG1 4.15Å; K229-I331 PolarHBondContact N-O 3.4Å; K229-I331 PolarHBondContact O-N 2.04Å
230	I	96.5	Very high	97.5	Very high	19 Å²	19	48.5 Å²	48.5	10%	0.097	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	142.7	169.6	60.4	171.3	0	0	0	109.4	I79 L164 L167 V168 W170 I171	I79-I230 HydrophobicContact CG2-CD1 4.06Å; I79-I230 HydrophobicContact CG2-CG1 4.24Å; L164-I230 HydrophobicContact CD1-CD1 3.98Å; L167-I230 HydrophobicContact CB-CD1 4.01Å; L167-I230 HydrophobicContact CB-CG2 3.88Å; L167-I230 HydrophobicContact CD1-CG2 4.35Å; L167-I230 HydrophobicContact CD2-CG2 3.98Å; L167-I230 HydrophobicContact CG-CG2 4.3Å; V168-I230 HydrophobicContact CG2-CD1 3.91Å; W170-I230 HydrophobicContact CE3-CG2 4.49Å; W170-I230 HydrophobicContact CZ3-CG2 4.38Å; I171-I230 HydrophobicContact CD1-CB 4.24Å; I171-I230 HydrophobicContact CD1-CD1 4.01Å; I171-I230 HydrophobicContact CD1-CG1 3.73Å; I171-I230 HydrophobicContact CD1-CG2 3.7Å; I171-I230 HydrophobicContact CG1-CG2 4.42Å
231	Y	96.6	Very high	97.5	Very high	10 Å²	10	48.5 Å²	48.5	4%	0.039	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	160.3	177.4	53.1	-91.7	0	0	0	111.7	Q80 I82 K229 V233 E243 R328 A329 I331	Q80-Y231 WeakPolarHBondContact O-CA 3.45Å; Q80-Y231 VanDerWaalsContact O-CB 3.31Å; Q80-Y231 WeakPolarHBondContact O-CB 3.32Å; I82-Y231 HydrophobicContact CB-CD2 3.87Å; I82-Y231 HydrophobicContact CB-CE2 4.18Å; I82-Y231 HydrophobicContact CD1-CD1 3.66Å; I82-Y231 HydrophobicContact CD1-CD2 3.59Å; I82-Y231 HydrophobicContact CD1-CE1 3.94Å; I82-Y231 HydrophobicContact CD1-CE2 3.88Å; I82-Y231 HydrophobicContact CD1-CG 3.47Å; I82-Y231 VanDerWaalsContact CD1-CG 3.47Å; I82-Y231 HydrophobicContact CG1-CD2 3.77Å; I82-Y231 HydrophobicContact CG1-CE2 4.33Å; I82-Y231 HydrophobicContact CG1-CG 3.89Å; K229-Y231 HydrophobicContact CD-CD1 4.13Å; K229-Y231 HydrophobicContact CG-CD1 4.16Å; Y231-V233 HydrophobicContact CE2-CG2 4.45Å; Y231-E243 WeakPolarHBondContact CE2-OE2 3.03Å; Y231-E243 PolarHBondContact OH-OE1 3.39Å; Y231-E243 PolarHBondContact OH-OE2 3.48Å; Y231-R328 WeakPolarHBondContact O-CA 3.41Å; Y231-A329 HydrophobicContact CD2-CB 3.97Å; Y231-A329 HydrophobicContact CE1-CB 4.26Å; Y231-A329 HydrophobicContact CE2-CB 3.41Å; Y231-A329 VanDerWaalsContact CE2-CB 3.41Å; Y231-A329 PolarHBondContact N-O 2.72Å; Y231-A329 PolarHBondContact O-N 3.18Å; Y231-I331 HydrophobicContact CD1-CG1 4.46Å; Y231-I331 HydrophobicContact CE1-CD1 3.82Å; Y231-I331 HydrophobicContact CE1-CG1 3.61Å
232	N	96.5	Very high	97.5	Very high	28 Å²	28	44.2 Å²	44.2	15%	0.15	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	141.4	165.4	-55.5	-49.1	0	0	0	109	I79 Q80 T81 I82 V327 R328	I79-N232 WeakPolarHBondContact CD1-OD1 3.43Å; I79-N232 WeakPolarHBondContact CG1-ND2 3.3Å; I79-N232 PolarHBondContact O-ND2 2.84Å; Q80-N232 PolarHBondContact O-N 3.31Å; T81-N232 CarbonylContact C-O 3.55Å; T81-N232 WeakPolarHBondContact CA-O 3.39Å; T81-N232 HydrophobicContact CG2-CB 4.24Å; T81-N232 PolarHBondContact OG1-ND2 3.29Å; I82-N232 PolarHBondContact N-O 2.95Å; N232-V327 WeakPolarHBondContact CA-O 3.05Å; N232-R328 PolarHBondContact OD1-NE 2.96Å
233	V	97.1	Very high	97.6	Very high	5 Å²	5	38.9 Å²	38.9	3%	0.03	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	138	165.3	-170.2	0	0	0	0	107.6	Y231 A235 D239 I240 E243 V327 A329	Y231-V233 HydrophobicContact CE2-CG2 4.45Å; V233-A235 PolarHBondContact O-N 3.37Å; V233-D239 HydrophobicContact CG1-CB 4.19Å; V233-I240 HydrophobicContact CB-CG1 4.49Å; V233-I240 HydrophobicContact CG1-CG1 3.99Å; V233-E243 HydrophobicContact CG1-CB 4.09Å; V233-E243 HydrophobicContact CG2-CB 4.17Å; V233-E243 HydrophobicContact CG2-CG 3.73Å; V233-V327 HydrophobicContact CB-CB 4.2Å; V233-V327 HydrophobicContact CB-CG1 4.05Å; V233-V327 HydrophobicContact CG2-CB 4.46Å; V233-V327 HydrophobicContact CG2-CG1 3.85Å; V233-V327 PolarHBondContact N-O 3.24Å; V233-A329 HydrophobicContact CG2-CB 3.99Å
234	Y	96.2	Very high	97.6	Very high	101 Å²	101	38.9 Å²	38.9	40%	0.396	19%	0.186	S	C	.	.	P	Polyproline II helix	trans	-56.5	138.1	175.3	-168.8	-91.3	0	0	0	110	T81 I82 D236 D239	T81-Y234 HydrophobicContact CG2-CD2 4.08Å; I82-Y234 WeakPolarHBondContact O-CB 3.32Å; I82-Y234 PolarHBondContact O-N 2.57Å; Y234-D236 HydrophobicContact CD1-CB 3.69Å; Y234-D236 HydrophobicContact CE1-CB 4.1Å; Y234-D236 PolarHBondContact O-N 3.21Å; Y234-D239 WeakPolarHBondContact CD1-OD2 3.24Å
235	A	95.9	Very high	97.6	Very high	47 Å²	47	38.4 Å²	38.4	39%	0.388	19%	0.185	S	C	.	.	S	Bend	trans	-76.5	60.1	-171.1	0	0	0	0	0	112.3	V233 E324	V233-A235 PolarHBondContact O-N 3.37Å; A235-E324 WeakPolarHBondContact CA-O 3.41Å; A235-E324 VanDerWaalsContact CB-O 3.3Å; A235-E324 WeakPolarHBondContact CB-O 3.49Å
236	D	95.3	Very high	97.6	Very high	53 Å²	53	39.9 Å²	39.9	28%	0.283	19%	0.193	S	C	.	.	S	Bend	trans	-136.5	145.7	-179.9	177.7	86.4	0	0	0	109.4	Y234 E238 D239 I240	Y234-D236 HydrophobicContact CD1-CB 3.69Å; Y234-D236 HydrophobicContact CE1-CB 4.1Å; Y234-D236 PolarHBondContact O-N 3.21Å; D236-E238 PolarHBondContact O-N 3.18Å; D236-E238 WeakPolarHBondContact OD2-CB 3.43Å; D236-E238 PolarHBondContact OD2-N 3.11Å; D236-D239 HydrophobicContact CB-CB 4.07Å; D236-D239 VanDerWaalsContact CB-OD2 3.32Å; D236-D239 WeakPolarHBondContact CB-OD2 3.5Å; D236-D239 PolarHBondContact O-N 3.3Å; D236-D239 PolarHBondContact OD2-N 3.41Å; D236-I240 WeakPolarHBondContact O-CD1 3.5Å; D236-I240 VanDerWaalsContact O-CG1 3.31Å; D236-I240 WeakPolarHBondContact O-CG1 3.35Å; D236-I240 PolarHBondContact O-N 3.25Å
237	Q	97.5	Very high	97.6	Very high	50 Å²	50	37.2 Å²	37.2	23%	0.234	18%	0.184	C	C	.	.	H	α-helix	trans	-61.4	-45.1	-175.6	-169	-160.3	-84.3	0	0	112.3	I240 Q241 W296 R316	Q237-I240 PolarHBondContact O-N 3.02Å; Q237-Q241 WeakPolarHBondContact O-CB 3.1Å; Q237-Q241 VanDerWaalsContact O-CG 3.25Å; Q237-Q241 WeakPolarHBondContact O-CG 3.41Å; Q237-Q241 PolarHBondContact O-N 3.11Å; Q237-Q241 PolarHBondContact O-OE1 2.72Å; Q237-W296 HydrophobicContact CG-CH2 4.16Å; Q237-W296 HydrophobicContact CG-CZ2 3.84Å; Q237-R316 HydrophobicContact CG-CG 3.58Å; Q237-R316 VanDerWaalsContact OE1-NH1 3.16Å
238	E	97.7	Very high	97.6	Very high	104 Å²	104	36.8 Å²	36.8	49%	0.486	18%	0.18	S	C	.	.	H	α-helix	trans	-70.6	-37.7	-178	-64.4	-170.8	180	0	0	111.1	I91 D236 Q241 K242	I91-E238 HydrophobicContact CD1-CB 3.77Å; I91-E238 HydrophobicContact CD1-CG 3.87Å; D236-E238 PolarHBondContact O-N 3.18Å; D236-E238 WeakPolarHBondContact OD2-CB 3.43Å; D236-E238 PolarHBondContact OD2-N 3.11Å; E238-Q241 PolarHBondContact O-N 3.42Å; E238-K242 WeakPolarHBondContact O-CB 3.4Å; E238-K242 VanDerWaalsContact O-CG 3.25Å; E238-K242 WeakPolarHBondContact O-CG 3.32Å; E238-K242 PolarHBondContact O-N 2.9Å
239	D	98.4	Very high	97.6	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.011	15%	0.149	C	C	.	.	H	α-helix	trans	-58.4	-47.3	173.6	-76.7	-69.6	0	0	0	111	S83 H84 R85 V233 Y234 D236 E243	S83-D239 VanDerWaalsContact C-OD1 3.3Å; S83-D239 WeakPolarHBondContact CA-OD1 3.5Å; S83-D239 WeakPolarHBondContact CB-OD1 3.46Å; S83-D239 PolarHBondContact OG-OD1 3.49Å; S83-D239 PolarHBondContact OG-OD2 3.45Å; H84-D239 WeakPolarHBondContact CA-OD1 3.35Å; H84-D239 PolarHBondContact CD2-O 3.05Å; H84-D239 PolarHBondContact N-OD1 3.4Å; R85-D239 PolarHBondContact N-OD1 3.43Å; R85-D239 IonicContact NE-OD2 3.82Å; V233-D239 HydrophobicContact CG1-CB 4.19Å; Y234-D239 WeakPolarHBondContact CD1-OD2 3.24Å; D236-D239 HydrophobicContact CB-CB 4.07Å; D236-D239 VanDerWaalsContact CB-OD2 3.32Å; D236-D239 WeakPolarHBondContact CB-OD2 3.5Å; D236-D239 PolarHBondContact O-N 3.3Å; D236-D239 PolarHBondContact OD2-N 3.41Å; D239-E243 WeakPolarHBondContact O-CB 3.43Å; D239-E243 PolarHBondContact O-N 2.83Å
240	I	98.7	Very high	97.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-66.2	-41.6	177.1	-62.8	160	0	0	0	111.6	V233 D236 Q237 E243 I244 V250 W296 E324 V327	V233-I240 HydrophobicContact CB-CG1 4.49Å; V233-I240 HydrophobicContact CG1-CG1 3.99Å; D236-I240 WeakPolarHBondContact O-CD1 3.5Å; D236-I240 VanDerWaalsContact O-CG1 3.31Å; D236-I240 WeakPolarHBondContact O-CG1 3.35Å; D236-I240 PolarHBondContact O-N 3.25Å; Q237-I240 PolarHBondContact O-N 3.02Å; I240-E243 PolarHBondContact O-N 3.13Å; I240-I244 HydrophobicContact CG2-CD1 3.9Å; I240-I244 WeakPolarHBondContact O-CG1 3.41Å; I240-I244 PolarHBondContact O-N 3.28Å; I240-V250 HydrophobicContact CG2-CG2 4.45Å; I240-W296 HydrophobicContact CB-CH2 3.67Å; I240-W296 HydrophobicContact CB-CZ2 4.05Å; I240-W296 HydrophobicContact CB-CZ3 4.5Å; I240-W296 HydrophobicContact CD1-CZ2 4.29Å; I240-W296 HydrophobicContact CG2-CH2 3.44Å; I240-W296 VanDerWaalsContact CG2-CH2 3.44Å; I240-W296 HydrophobicContact CG2-CZ2 3.92Å; I240-W296 HydrophobicContact CG2-CZ3 3.84Å; I240-E324 HydrophobicContact CD1-CB 3.77Å; I240-E324 HydrophobicContact CD1-CG 3.74Å; I240-V327 HydrophobicContact CD1-CB 4.45Å; I240-V327 HydrophobicContact CD1-CG2 3.74Å; I240-V327 HydrophobicContact CG1-CB 4.31Å; I240-V327 HydrophobicContact CG1-CG1 4.34Å; I240-V327 HydrophobicContact CG1-CG2 4.09Å; I240-V327 HydrophobicContact CG2-CG1 4.43Å
241	Q	98.8	Very high	97.8	Very high	8 Å²	8	25.5 Å²	25.5	4%	0.037	13%	0.128	C	C	.	.	H	α-helix	trans	-61.9	-47.9	177.1	-75	175.1	-68.3	0	0	111.6	I91 Q237 E238 I244 L245 W287 W296	I91-Q241 HydrophobicContact CD1-CB 4.08Å; I91-Q241 HydrophobicContact CG2-CB 3.85Å; I91-Q241 HydrophobicContact CG2-CG 4.17Å; Q237-Q241 WeakPolarHBondContact O-CB 3.1Å; Q237-Q241 VanDerWaalsContact O-CG 3.25Å; Q237-Q241 WeakPolarHBondContact O-CG 3.41Å; Q237-Q241 PolarHBondContact O-N 3.11Å; Q237-Q241 PolarHBondContact O-OE1 2.72Å; E238-Q241 PolarHBondContact O-N 3.42Å; Q241-I244 PolarHBondContact O-N 2.99Å; Q241-L245 PolarHBondContact O-N 2.82Å; Q241-W287 HydrophobicContact CB-CE3 4.43Å; Q241-W287 HydrophobicContact CB-CH2 3.61Å; Q241-W287 HydrophobicContact CB-CZ2 3.92Å; Q241-W287 HydrophobicContact CB-CZ3 3.96Å; Q241-W287 HydrophobicContact CG-CD2 3.84Å; Q241-W287 HydrophobicContact CG-CE3 3.91Å; Q241-W287 HydrophobicContact CG-CG 4.41Å; Q241-W287 HydrophobicContact CG-CH2 3.9Å; Q241-W287 HydrophobicContact CG-CZ2 3.96Å; Q241-W287 HydrophobicContact CG-CZ3 3.96Å; Q241-W287 VanDerWaalsContact NE2-CD1 3.3Å; Q241-W287 VanDerWaalsContact NE2-CE2 3.32Å; Q241-W287 VanDerWaalsContact NE2-NE1 3.12Å; Q241-W287 VanDerWaalsContact O-CH2 3.26Å; Q241-W287 WeakPolarHBondContact O-CH2 3.33Å; Q241-W296 HydrophobicContact CG-CH2 3.57Å; Q241-W296 HydrophobicContact CG-CZ3 3.71Å
242	K	98.6	Very high	97.8	Very high	12 Å²	12	25 Å²	25	5%	0.052	13%	0.126	C	C	.	.	H	α-helix	trans	-63.2	-41.9	178.7	-72.3	176.1	-175.4	-174.4	0	111.7	H84 V87 I91 E238 I244 L245 M246	H84-K242 HydrophobicContact CB-CB 3.8Å; H84-K242 HydrophobicContact CB-CD 3.84Å; H84-K242 HydrophobicContact CB-CG 4.49Å; H84-K242 VanDerWaalsContact O-CD 3.32Å; H84-K242 WeakPolarHBondContact O-CD 3.03Å; H84-K242 PolarHBondContact O-NZ 2.92Å; H84-K242 VanDerWaalsContact O-NZ 3.12Å; V87-K242 HydrophobicContact CB-CD 4.45Å; V87-K242 PolarHBondContact O-NZ 3.42Å; I91-K242 HydrophobicContact CD1-CG 3.97Å; I91-K242 HydrophobicContact CG1-CG 4.09Å; E238-K242 WeakPolarHBondContact O-CB 3.4Å; E238-K242 VanDerWaalsContact O-CG 3.25Å; E238-K242 WeakPolarHBondContact O-CG 3.32Å; E238-K242 PolarHBondContact O-N 2.9Å; K242-I244 VanDerWaalsContact C-N 3.34Å; K242-I244 PolarHBondContact O-N 2.91Å; K242-L245 PolarHBondContact O-N 3.12Å; K242-M246 HydrophobicContact CB-CE 4.23Å; K242-M246 WeakPolarHBondContact O-CB 3.2Å; K242-M246 WeakPolarHBondContact O-CE 3.36Å; K242-M246 WeakPolarHBondContact O-CG 2.98Å; K242-M246 PolarHBondContact O-N 2.73Å
243	E	98.8	Very high	97.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-56.9	-48.9	174.7	174.1	60.4	-148.7	0	0	111.3	H84 R131 Y231 V233 D239 I240 M246 N247 V250 A329	H84-E243 IonicContact CD2-OE2 3.18Å; H84-E243 IonicContact CE1-OE2 3.86Å; H84-E243 PolarHBondContact CE1-OE2 2.87Å; H84-E243 IonicContact NE2-OE2 2.83Å; H84-E243 PolarHBondContact NE2-OE2 3.34Å; R131-E243 IonicContact CZ-OE1 2.62Å; R131-E243 VanDerWaalsContact CZ-OE1 3.27Å; R131-E243 IonicContact NH1-OE1 2.93Å; R131-E243 PolarHBondContact NH1-OE1 3.49Å; R131-E243 IonicContact NH2-OE1 3.2Å; R131-E243 PolarHBondContact NH2-OE1 3.02Å; Y231-E243 WeakPolarHBondContact CE2-OE2 3.03Å; Y231-E243 PolarHBondContact OH-OE1 3.39Å; Y231-E243 PolarHBondContact OH-OE2 3.48Å; V233-E243 HydrophobicContact CG1-CB 4.09Å; V233-E243 HydrophobicContact CG2-CB 4.17Å; V233-E243 HydrophobicContact CG2-CG 3.73Å; D239-E243 WeakPolarHBondContact O-CB 3.43Å; D239-E243 PolarHBondContact O-N 2.83Å; I240-E243 PolarHBondContact O-N 3.13Å; E243-M246 PolarHBondContact O-N 2.77Å; E243-N247 WeakPolarHBondContact O-CB 3.37Å; E243-N247 PolarHBondContact O-N 3.44Å; E243-N247 WeakPolarHBondContact OE1-CB 2.98Å; E243-N247 PolarHBondContact OE1-ND2 1.96Å; E243-N247 VanDerWaalsContact OE1-ND2 3.13Å; E243-N247 PolarHBondContact OE2-ND2 3.45Å; E243-N247 VanDerWaalsContact OE2-ND2 3.17Å; E243-V250 HydrophobicContact CG-CG1 3.59Å; E243-A329 HydrophobicContact CG-CB 4.04Å; E243-A329 VanDerWaalsContact OE1-CB 3.27Å; E243-A329 WeakPolarHBondContact OE1-CB 2.89Å
244	I	98.8	Very high	97.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-64.4	-44.3	-179.7	-68.2	165.9	0	0	0	110.9	F95 W101 I240 Q241 K242 M246 G248 V250 I284 W287 W296	F95-I244 HydrophobicContact CD1-CG2 3.95Å; F95-I244 HydrophobicContact CE1-CG2 3.65Å; W101-I244 WeakPolarHBondContact CH2-O 3.47Å; I240-I244 HydrophobicContact CG2-CD1 3.9Å; I240-I244 WeakPolarHBondContact O-CG1 3.41Å; I240-I244 PolarHBondContact O-N 3.28Å; Q241-I244 PolarHBondContact O-N 2.99Å; K242-I244 VanDerWaalsContact C-N 3.34Å; K242-I244 PolarHBondContact O-N 2.91Å; I244-M246 VanDerWaalsContact C-N 3.33Å; I244-M246 PolarHBondContact O-N 2.81Å; I244-G248 WeakPolarHBondContact CA-O 3.39Å; I244-G248 VanDerWaalsContact O-CA 3.29Å; I244-G248 WeakPolarHBondContact O-CA 3.46Å; I244-G248 PolarHBondContact O-N 3.47Å; I244-V250 HydrophobicContact CD1-CG2 3.85Å; I244-V250 HydrophobicContact CG1-CG1 4.01Å; I244-V250 HydrophobicContact CG1-CG2 3.81Å; I244-I284 HydrophobicContact CD1-CB 4.1Å; I244-I284 HydrophobicContact CD1-CG2 3.59Å; I244-W287 HydrophobicContact CB-CZ3 3.95Å; I244-W287 HydrophobicContact CD1-CZ3 4.4Å; I244-W287 HydrophobicContact CG2-CZ3 3.87Å; I244-W296 HydrophobicContact CD1-CZ3 4.26Å
245	L	98.2	Very high	97.7	Very high	26 Å²	26	19.7 Å²	19.7	14%	0.136	11%	0.105	C	C	.	.	H	α-helix	trans	-58.7	-42.9	178.4	-84.5	153.1	0	0	0	113.1	M89 I91 P92 F95 Q241 K242 W287	M89-L245 HydrophobicContact SD-CB 3.82Å; M89-L245 HydrophobicContact SD-CD1 4.01Å; M89-L245 HydrophobicContact SD-CG 4.48Å; I91-L245 HydrophobicContact CG1-CD1 4.37Å; I91-L245 HydrophobicContact CG2-CD1 4.33Å; P92-L245 HydrophobicContact CG-CD2 4.14Å; F95-L245 HydrophobicContact CD2-CD2 3.52Å; F95-L245 HydrophobicContact CD2-CG 4.41Å; F95-L245 HydrophobicContact CE2-CD2 3.58Å; F95-L245 HydrophobicContact CE2-CG 4.47Å; F95-L245 HydrophobicContact CG-CD2 4.21Å; F95-L245 HydrophobicContact CZ-CD2 4.32Å; Q241-L245 PolarHBondContact O-N 2.82Å; K242-L245 PolarHBondContact O-N 3.12Å; L245-W287 HydrophobicContact CD1-CH2 3.56Å; L245-W287 HydrophobicContact CD1-CZ2 3.81Å; L245-W287 HydrophobicContact CD2-CH2 4.28Å; L245-W287 HydrophobicContact CG-CH2 3.53Å; L245-W287 HydrophobicContact CG-CZ2 4.09Å
246	M	97.8	Very high	97.7	Very high	60 Å²	60	17.5 Å²	17.5	30%	0.296	9%	0.086	S	C	.	.	H	α-helix	trans	-78.5	-43.3	-175.7	-70.8	-174.9	-64.2	0	0	112.1	H84 V87 M89 K242 E243 I244	H84-M246 HydrophobicContact CB-CE 4.35Å; V87-M246 HydrophobicContact CG1-CE 4.49Å; V87-M246 HydrophobicContact CG1-SD 3.91Å; V87-M246 HydrophobicContact CG2-CE 4.42Å; M89-M246 HydrophobicContact CE-CG 3.34Å; M89-M246 HydrophobicContact CE-SD 3.77Å; M89-M246 HydrophobicContact SD-CG 4.05Å; K242-M246 HydrophobicContact CB-CE 4.23Å; K242-M246 WeakPolarHBondContact O-CB 3.2Å; K242-M246 WeakPolarHBondContact O-CE 3.36Å; K242-M246 WeakPolarHBondContact O-CG 2.98Å; K242-M246 PolarHBondContact O-N 2.73Å; E243-M246 PolarHBondContact O-N 2.77Å; I244-M246 VanDerWaalsContact C-N 3.33Å; I244-M246 PolarHBondContact O-N 2.81Å
247	N	98.5	Very high	97.6	Very high	27 Å²	27	16.9 Å²	16.9	14%	0.144	8%	0.081	C	C	.	.	H	α-helix	trans	-125.2	-2.2	-159.6	-55.6	-43.6	0	0	0	113.3	R131 Y135 E243	R131-N247 WeakPolarHBondContact CG-O 3.27Å; R131-N247 PolarHBondContact NE-O 3.03Å; Y135-N247 HydrophobicContact CE2-CB 4.15Å; Y135-N247 WeakPolarHBondContact OH-CB 3.32Å; Y135-N247 PolarHBondContact OH-OD1 3.33Å; E243-N247 WeakPolarHBondContact O-CB 3.37Å; E243-N247 PolarHBondContact O-N 3.44Å; E243-N247 WeakPolarHBondContact OE1-CB 2.98Å; E243-N247 PolarHBondContact OE1-ND2 1.96Å; E243-N247 VanDerWaalsContact OE1-ND2 3.13Å; E243-N247 PolarHBondContact OE2-ND2 3.45Å; E243-N247 VanDerWaalsContact OE2-ND2 3.17Å
248	G	98.7	Very high	97.4	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.071	C	C	.	.			trans	89.6	-173.8	178.4	0	0	0	0	0	115.3	R131 I244	R131-G248 PolarHBondContact NH2-O 3.27Å; I244-G248 WeakPolarHBondContact CA-O 3.39Å; I244-G248 VanDerWaalsContact O-CA 3.29Å; I244-G248 WeakPolarHBondContact O-CA 3.46Å; I244-G248 PolarHBondContact O-N 3.47Å
249	P	98.9	Very high	97.3	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.048	C	C	.	.			trans	-50.6	148.1	-173.5	-32.5	40.2	0	0	0	115.3	A97 I107 D130 R131 R283 I284 I285	A97-P249 HydrophobicContact CB-CG 3.98Å; I107-P249 HydrophobicContact CG2-CG 4.28Å; D130-P249 HydrophobicContact CB-CG 4.14Å; D130-P249 WeakPolarHBondContact OD2-CG 3.48Å; R131-P249 PolarHBondContact NE-O 3.02Å; R131-P249 PolarHBondContact NH2-O 3.42Å; P249-R283 HydrophobicContact CB-CG 3.84Å; P249-I284 VanDerWaalsContact CA-O 3.22Å; P249-I284 WeakPolarHBondContact CA-O 3.46Å; P249-I284 WeakPolarHBondContact CB-O 3.21Å; P249-I285 HydrophobicContact CB-CG2 4.01Å; P249-I285 HydrophobicContact CG-CB 4.28Å; P249-I285 HydrophobicContact CG-CG2 3.92Å
250	V	98.8	Very high	97.2	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	160.3	-177.8	-66.5	0	0	0	0	111.7	I240 E243 I244 R283 I284 V327 A329	I240-V250 HydrophobicContact CG2-CG2 4.45Å; E243-V250 HydrophobicContact CG-CG1 3.59Å; I244-V250 HydrophobicContact CD1-CG2 3.85Å; I244-V250 HydrophobicContact CG1-CG1 4.01Å; I244-V250 HydrophobicContact CG1-CG2 3.81Å; V250-R283 CarbonylContact O-C 3.46Å; V250-R283 WeakPolarHBondContact O-CA 3.38Å; V250-I284 HydrophobicContact CG2-CB 3.79Å; V250-I284 HydrophobicContact CG2-CD1 4.28Å; V250-I284 HydrophobicContact CG2-CG1 4.24Å; V250-I284 PolarHBondContact N-O 3.26Å; V250-I284 VanDerWaalsContact N-O 3.1Å; V250-I284 PolarHBondContact O-N 3.39Å; V250-V327 HydrophobicContact CB-CG1 3.73Å; V250-V327 HydrophobicContact CG1-CG1 4.27Å; V250-V327 HydrophobicContact CG2-CG1 3.52Å; V250-A329 HydrophobicContact CG1-CB 4.35Å
251	I	98.3	Very high	97	Very high	2 Å²	2	9.7 Å²	9.7	1%	0.01	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	128.7	177.3	-51.7	148.9	0	0	0	107.7	A123 T124 S127 E163 L167 V327 R328 P330	A123-I251 HydrophobicContact CB-CG2 4.24Å; T124-I251 HydrophobicContact CG2-CD1 3.81Å; S127-I251 WeakPolarHBondContact OG-CG1 3.32Å; E163-I251 HydrophobicContact CB-CG2 4.04Å; E163-I251 HydrophobicContact CG-CG2 4.23Å; L167-I251 HydrophobicContact CD1-CD1 4.13Å; L167-I251 HydrophobicContact CD2-CD1 3.98Å; L167-I251 HydrophobicContact CG-CD1 4.31Å; I251-V327 CarbonylContact O-C 3.55Å; I251-V327 VanDerWaalsContact O-CA 3.3Å; I251-V327 WeakPolarHBondContact O-CA 3.01Å; I251-R328 PolarHBondContact N-O 3.31Å; I251-R328 PolarHBondContact O-N 2.87Å; I251-P330 HydrophobicContact CD1-CG 4.23Å
252	A	97.5	Very high	96.9	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	136.2	178.8	0	0	0	0	0	111.4	N281 L282 I284 I323 Y326 V327	A252-N281 CarbonylContact O-C 3.46Å; A252-N281 WeakPolarHBondContact O-CA 3.5Å; A252-L282 PolarHBondContact N-O 3.31Å; A252-L282 PolarHBondContact O-N 3.49Å; A252-I284 HydrophobicContact CB-CD1 3.5Å; A252-I284 VanDerWaalsContact CB-CD1 3.5Å; A252-I284 HydrophobicContact CB-CG1 3.68Å; A252-I323 HydrophobicContact CB-CD1 3.66Å; A252-I323 HydrophobicContact CB-CG1 4.42Å; A252-Y326 WeakPolarHBondContact CA-O 3.04Å; A252-V327 HydrophobicContact CB-CG2 4.09Å
253	S	95.9	Very high	96.9	Very high	1 Å²	1	8.8 Å²	8.8	1%	0.007	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	133.5	172.1	-46	0	0	0	0	110.2	I280 N281 Y326	S253-I280 WeakPolarHBondContact CA-O 3.45Å; S253-N281 PolarHBondContact OG-ND2 2.85Å; S253-N281 VanDerWaalsContact OG-ND2 3.11Å; S253-Y326 PolarHBondContact N-O 2.91Å; S253-Y326 VanDerWaalsContact N-O 3.11Å
254	I	96.5	Very high	96.8	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	133.2	178	-176.1	174.9	0	0	0	110.7	V256 W279 I280 L282 V314 G321 I323	I254-V256 HydrophobicContact CG1-CG1 4.42Å; I254-V256 HydrophobicContact CG2-CG1 4Å; I254-V256 PolarHBondContact O-N 3.44Å; I254-W279 CarbonylContact O-C 3.34Å; I254-W279 VanDerWaalsContact O-CA 3.28Å; I254-W279 WeakPolarHBondContact O-CA 3.43Å; I254-I280 HydrophobicContact CG2-CD1 4.23Å; I254-I280 HydrophobicContact CG2-CG1 3.55Å; I254-I280 PolarHBondContact N-O 3.3Å; I254-I280 PolarHBondContact O-N 3.18Å; I254-L282 HydrophobicContact CG2-CD1 3.7Å; I254-L282 HydrophobicContact CG2-CG 3.92Å; I254-V314 HydrophobicContact CD1-CG1 4.05Å; I254-V314 HydrophobicContact CD1-CG2 4.19Å; I254-G321 CarbonylContact C-O 3.53Å; I254-G321 WeakPolarHBondContact CA-O 3.44Å; I254-G321 WeakPolarHBondContact CG1-O 3.21Å; I254-I323 HydrophobicContact CB-CB 4.49Å; I254-I323 HydrophobicContact CB-CD1 3.79Å; I254-I323 HydrophobicContact CD1-CB 4.41Å; I254-I323 HydrophobicContact CD1-CD1 4.35Å; I254-I323 HydrophobicContact CG1-CB 4.42Å; I254-I323 HydrophobicContact CG1-CD1 4.43Å; I254-I323 HydrophobicContact CG2-CD1 4.38Å
255	L	94.8	Very high	96.8	Very high	22 Å²	22	13.8 Å²	13.8	12%	0.115	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	106.1	167.1	-180	62.5	0	0	0	108.8	W279 G321 Y322	L255-W279 HydrophobicContact CB-CD2 4.07Å; L255-W279 HydrophobicContact CB-CE3 4.13Å; L255-W279 HydrophobicContact CB-CH2 3.93Å; L255-W279 HydrophobicContact CB-CZ2 3.84Å; L255-W279 HydrophobicContact CB-CZ3 4.07Å; L255-W279 HydrophobicContact CD1-CD2 4.42Å; L255-W279 HydrophobicContact CD1-CG 4.43Å; L255-W279 HydrophobicContact CD2-CZ2 4.49Å; L255-W279 VanDerWaalsContact N-CE3 3.33Å; L255-G321 PolarHBondContact N-O 3.08Å; L255-Y322 HydrophobicContact CB-CD2 4Å; L255-Y322 HydrophobicContact CD2-CD2 4.12Å; L255-Y322 HydrophobicContact CD2-CE2 3.84Å
256	V	95.2	Very high	96.8	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	151.5	175.6	-62.3	0	0	0	0	111.3	F65 I254 F260 L277 G278 I280	F65-V256 HydrophobicContact CE1-CG2 3.52Å; F65-V256 HydrophobicContact CZ-CG2 3.98Å; I254-V256 HydrophobicContact CG1-CG1 4.42Å; I254-V256 HydrophobicContact CG2-CG1 4Å; I254-V256 PolarHBondContact O-N 3.44Å; V256-F260 HydrophobicContact CB-CB 3.88Å; V256-F260 HydrophobicContact CB-CD1 3.95Å; V256-F260 HydrophobicContact CB-CG 3.92Å; V256-F260 HydrophobicContact CG1-CB 4.15Å; V256-F260 HydrophobicContact CG1-CD1 3.49Å; V256-F260 VanDerWaalsContact CG1-CD1 3.49Å; V256-F260 HydrophobicContact CG1-CD2 4Å; V256-F260 HydrophobicContact CG1-CE1 3.75Å; V256-F260 HydrophobicContact CG1-CE2 4.21Å; V256-F260 HydrophobicContact CG1-CG 3.61Å; V256-F260 HydrophobicContact CG1-CZ 4.08Å; V256-L277 HydrophobicContact CG2-CB 4.4Å; V256-L277 HydrophobicContact CG2-CD2 4.48Å; V256-L277 WeakPolarHBondContact O-CB 3.4Å; V256-L277 PolarHBondContact O-N 2.73Å; V256-G278 WeakPolarHBondContact CG2-O 3.3Å; V256-G278 PolarHBondContact N-O 2.84Å; V256-G278 PolarHBondContact O-N 3.24Å; V256-I280 HydrophobicContact CG1-CD1 3.73Å; V256-I280 HydrophobicContact CG1-CG1 3.8Å; V256-I280 HydrophobicContact CG2-CG2 4.27Å
257	K	93.9	Very high	96.8	Very high	40 Å²	40	10 Å²	10	17%	0.174	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	169.4	172.7	-65.6	-164.9	172.6	-164.2	0	109.6	D259 F260 P270 T271 S274 S275 N276	K257-D259 WeakPolarHBondContact CB-OD1 2.74Å; K257-D259 PolarHBondContact O-N 3.03Å; K257-F260 WeakPolarHBondContact O-CB 3.05Å; K257-F260 PolarHBondContact O-N 3.45Å; K257-P270 HydrophobicContact CD-CB 3.7Å; K257-P270 HydrophobicContact CG-CB 4.12Å; K257-T271 PolarHBondContact NZ-O 3.47Å; K257-S274 VanDerWaalsContact CB-OG 3.27Å; K257-S274 WeakPolarHBondContact CB-OG 3.22Å; K257-S274 VanDerWaalsContact CD-O 3.3Å; K257-S274 WeakPolarHBondContact CD-O 3.29Å; K257-S274 PolarHBondContact NZ-O 3.21Å; K257-S275 CarbonylContact C-O 3.57Å; K257-S275 WeakPolarHBondContact CA-O 3.41Å; K257-S275 VanDerWaalsContact CB-O 3.26Å; K257-S275 WeakPolarHBondContact CB-O 3.27Å; K257-N276 WeakPolarHBondContact CE-OD1 3.48Å
258	V	92.8	Very high	96.9	Very high	5 Å²	5	8.7 Å²	8.7	3%	0.03	5%	0.045	C	C	.	.	G	3₁₀ helix	trans	-53.8	-39.8	-177.4	-175.3	0	0	0	0	112.9	P22 L31 F32 L35 F260 L261 S274 S275	P22-V258 HydrophobicContact CB-CG2 3.53Å; P22-V258 HydrophobicContact CG-CG2 3.28Å; L31-V258 HydrophobicContact CD2-CG1 3.95Å; L31-V258 HydrophobicContact CG-CG1 4.44Å; F32-V258 HydrophobicContact CD1-CG1 4.34Å; F32-V258 HydrophobicContact CE1-CG1 3.86Å; L35-V258 HydrophobicContact CD1-CB 4.03Å; L35-V258 HydrophobicContact CD1-CG1 3.57Å; V258-F260 PolarHBondContact O-N 3.35Å; V258-L261 VanDerWaalsContact O-CB 3.26Å; V258-L261 WeakPolarHBondContact O-CB 3.16Å; V258-L261 WeakPolarHBondContact O-CG 3.37Å; V258-L261 PolarHBondContact O-N 2.88Å; V258-S274 PolarHBondContact N-OG 3.07Å; V258-S275 PolarHBondContact N-O 2.7Å
259	D	94.7	Very high	96.8	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.06	C	C	.	.	G	3₁₀ helix	trans	-63.5	-21.7	178.4	64.1	-27.5	0	0	0	114.2	W47 K257 L261 V262 Y263 Y268 T271 S274	W47-D259 HydrophobicContact CH2-CB 3.91Å; W47-D259 WeakPolarHBondContact CH2-O 3.32Å; W47-D259 HydrophobicContact CZ2-CB 4.2Å; K257-D259 WeakPolarHBondContact CB-OD1 2.74Å; K257-D259 PolarHBondContact O-N 3.03Å; D259-L261 PolarHBondContact O-N 2.59Å; D259-V262 WeakPolarHBondContact O-CG2 3.38Å; D259-V262 PolarHBondContact O-N 3.01Å; D259-Y263 PolarHBondContact O-N 2.84Å; D259-Y268 PolarHBondContact OD1-OH 3.47Å; D259-T271 VanDerWaalsContact OD2-CB 3.24Å; D259-T271 WeakPolarHBondContact OD2-CB 3.41Å; D259-T271 VanDerWaalsContact OD2-CG2 3.27Å; D259-T271 WeakPolarHBondContact OD2-CG2 3.19Å; D259-T271 PolarHBondContact OD2-N 2.58Å; D259-T271 PolarHBondContact OD2-OG1 3.18Å; D259-S274 WeakPolarHBondContact CB-OG 3.35Å; D259-S274 PolarHBondContact N-OG 2.98Å; D259-S274 WeakPolarHBondContact OD1-CB 3.28Å; D259-S274 PolarHBondContact OD1-OG 2.88Å; D259-S274 WeakPolarHBondContact OD2-CB 3.48Å
260	F	96.7	Very high	96.6	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.065	C	C	.	.	G	3₁₀ helix	trans	-61.7	-33.1	170	-169	-101.7	0	0	0	112.3	V256 K257 V258 V262 Y263 Y268 I280 L282 W302 W306 V312	V256-F260 HydrophobicContact CB-CB 3.88Å; V256-F260 HydrophobicContact CB-CD1 3.95Å; V256-F260 HydrophobicContact CB-CG 3.92Å; V256-F260 HydrophobicContact CG1-CB 4.15Å; V256-F260 HydrophobicContact CG1-CD1 3.49Å; V256-F260 VanDerWaalsContact CG1-CD1 3.49Å; V256-F260 HydrophobicContact CG1-CD2 4Å; V256-F260 HydrophobicContact CG1-CE1 3.75Å; V256-F260 HydrophobicContact CG1-CE2 4.21Å; V256-F260 HydrophobicContact CG1-CG 3.61Å; V256-F260 HydrophobicContact CG1-CZ 4.08Å; K257-F260 WeakPolarHBondContact O-CB 3.05Å; K257-F260 PolarHBondContact O-N 3.45Å; V258-F260 PolarHBondContact O-N 3.35Å; F260-V262 PolarHBondContact O-N 3.48Å; F260-Y263 VanDerWaalsContact O-CB 3.29Å; F260-Y263 WeakPolarHBondContact O-CB 3.43Å; F260-Y263 PolarHBondContact O-N 2.81Å; F260-Y263 VanDerWaalsContact O-N 3.14Å; F260-Y268 HydrophobicContact CB-CE2 4.09Å; F260-Y268 AromaticContact CD2-CD1 3.72Å; F260-Y268 HydrophobicContact CD2-CD1 3.72Å; F260-Y268 HydrophobicContact CD2-CD2 4.08Å; F260-Y268 AromaticContact CD2-CE1 3.47Å; F260-Y268 HydrophobicContact CD2-CE1 3.47Å; F260-Y268 VanDerWaalsContact CD2-CE1 3.47Å; F260-Y268 AromaticContact CD2-CE2 3.85Å; F260-Y268 HydrophobicContact CD2-CE2 3.85Å; F260-Y268 HydrophobicContact CD2-CG 4.02Å; F260-Y268 AromaticContact CD2-CZ 3.54Å; F260-Y268 AromaticContact CE2-CD1 3.99Å; F260-Y268 HydrophobicContact CE2-CD1 3.99Å; F260-Y268 HydrophobicContact CE2-CE1 4.08Å; F260-Y268 HydrophobicContact CE2-CG 4.38Å; F260-Y268 HydrophobicContact CG-CE1 4.47Å; F260-Y268 HydrophobicContact CG-CE2 4.48Å; F260-I280 HydrophobicContact CD1-CD1 4.4Å; F260-I280 HydrophobicContact CE1-CD1 3.63Å; F260-I280 HydrophobicContact CZ-CD1 4.14Å; F260-L282 HydrophobicContact CZ-CD1 4.49Å; F260-W302 AromaticContact CD1-CH2 3.75Å; F260-W302 HydrophobicContact CD1-CH2 3.75Å; F260-W302 AromaticContact CD1-CZ3 3.67Å; F260-W302 HydrophobicContact CD1-CZ3 3.67Å; F260-W302 AromaticContact CE1-CH2 3.67Å; F260-W302 HydrophobicContact CE1-CH2 3.67Å; F260-W302 AromaticContact CE1-CZ3 3.49Å; F260-W302 HydrophobicContact CE1-CZ3 3.49Å; F260-W302 VanDerWaalsContact CE1-CZ3 3.49Å; F260-W306 HydrophobicContact CD1-CH2 4.47Å; F260-W306 AromaticContact CD1-CZ2 4Å; F260-W306 HydrophobicContact CD1-CZ2 4Å; F260-W306 AromaticContact CE1-CH2 3.66Å; F260-W306 HydrophobicContact CE1-CH2 3.66Å; F260-W306 AromaticContact CE1-CZ2 3.59Å; F260-W306 HydrophobicContact CE1-CZ2 3.59Å; F260-W306 HydrophobicContact CE2-CH2 4.21Å; F260-W306 HydrophobicContact CE2-CZ2 4.5Å; F260-W306 AromaticContact CZ-CH2 3.53Å; F260-W306 HydrophobicContact CZ-CH2 3.53Å; F260-W306 AromaticContact CZ-CZ2 3.9Å; F260-W306 HydrophobicContact CZ-CZ2 3.9Å; F260-V312 HydrophobicContact CE2-CG1 4.39Å; F260-V312 HydrophobicContact CE2-CG2 4.01Å; F260-V312 HydrophobicContact CZ-CG1 4.16Å; F260-V312 HydrophobicContact CZ-CG2 4.47Å
261	L	95.4	Very high	96.4	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.005	7%	0.065	C	C	.	.	G	3₁₀ helix	trans	-63.3	-28.9	179.2	-56.7	-176.9	0	0	0	112.1	F32 N52 F55 T61 F65 V258 D259 L277 W302	F32-L261 HydrophobicContact CE1-CB 4.27Å; F32-L261 HydrophobicContact CE1-CD1 4.09Å; F32-L261 HydrophobicContact CZ-CB 3.95Å; F32-L261 HydrophobicContact CZ-CD1 3.8Å; N52-L261 PolarHBondContact ND2-O 3.49Å; F55-L261 HydrophobicContact CB-CB 4.44Å; F55-L261 HydrophobicContact CD1-CD2 4.1Å; F55-L261 HydrophobicContact CD2-CB 3.73Å; F55-L261 HydrophobicContact CD2-CD2 4.21Å; F55-L261 HydrophobicContact CD2-CG 4.48Å; F55-L261 WeakPolarHBondContact CD2-O 3.47Å; F55-L261 HydrophobicContact CE1-CD2 3.91Å; F55-L261 HydrophobicContact CE2-CB 4.12Å; F55-L261 HydrophobicContact CE2-CD2 4.01Å; F55-L261 WeakPolarHBondContact CE2-O 3.15Å; F55-L261 HydrophobicContact CG-CB 4.07Å; F55-L261 HydrophobicContact CG-CD1 4.46Å; F55-L261 HydrophobicContact CG-CD2 4.26Å; F55-L261 HydrophobicContact CZ-CD2 3.86Å; T61-L261 HydrophobicContact CG2-CD1 3.64Å; F65-L261 HydrophobicContact CE2-CD2 4.05Å; F65-L261 HydrophobicContact CZ-CD2 4.08Å; V258-L261 VanDerWaalsContact O-CB 3.26Å; V258-L261 WeakPolarHBondContact O-CB 3.16Å; V258-L261 WeakPolarHBondContact O-CG 3.37Å; V258-L261 PolarHBondContact O-N 2.88Å; D259-L261 PolarHBondContact O-N 2.59Å; L261-L277 HydrophobicContact CD1-CD2 3.67Å; L261-L277 HydrophobicContact CD2-CD2 3.73Å; L261-L277 HydrophobicContact CG-CD2 3.76Å; L261-W302 HydrophobicContact CD2-CH2 4.13Å; L261-W302 HydrophobicContact CD2-CZ3 4.39Å
262	V	95.7	Very high	96.1	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-97.4	8.5	179.8	-60.2	0	0	0	0	112.9	F32 I36 W47 A49 G50 D259 F260 K264	F32-V262 HydrophobicContact CB-CG1 4.03Å; F32-V262 HydrophobicContact CD1-CG1 3.76Å; F32-V262 HydrophobicContact CD2-CG1 3.97Å; F32-V262 HydrophobicContact CE1-CG1 4.14Å; F32-V262 HydrophobicContact CE2-CG1 4.33Å; F32-V262 HydrophobicContact CG-CG1 3.66Å; F32-V262 HydrophobicContact CZ-CG1 4.41Å; I36-V262 HydrophobicContact CD1-CB 4.39Å; I36-V262 HydrophobicContact CD1-CG1 4.16Å; I36-V262 HydrophobicContact CG1-CB 3.97Å; I36-V262 HydrophobicContact CG1-CG1 4.1Å; I36-V262 HydrophobicContact CG1-CG2 4.23Å; W47-V262 HydrophobicContact CH2-CG2 4.43Å; W47-V262 HydrophobicContact CZ3-CG2 4.5Å; A49-V262 CarbonylContact C-O 3.58Å; A49-V262 WeakPolarHBondContact CA-O 3.32Å; A49-V262 HydrophobicContact CB-CB 4.37Å; A49-V262 HydrophobicContact CB-CG2 3.89Å; G50-V262 PolarHBondContact N-O 3.45Å; G50-V262 CarbonylContact O-C 3.47Å; G50-V262 VanDerWaalsContact O-CA 3.31Å; G50-V262 WeakPolarHBondContact O-CA 3.42Å; G50-V262 WeakPolarHBondContact O-CB 3.39Å; G50-V262 VanDerWaalsContact O-O 3.08Å; D259-V262 WeakPolarHBondContact O-CG2 3.38Å; D259-V262 PolarHBondContact O-N 3.01Å; F260-V262 PolarHBondContact O-N 3.48Å; V262-K264 PolarHBondContact O-N 3.18Å
263	Y	98	Very high	95.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	134.1	174.6	174.8	-96.6	0	0	0	111.6	W47 N52 D259 F260 G266 Y268 W306 E308 V312 K313	W47-Y263 HydrophobicContact CB-CD2 4.45Å; W47-Y263 HydrophobicContact CB-CE2 4.23Å; W47-Y263 HydrophobicContact CD2-CD2 4.42Å; W47-Y263 AromaticContact CE3-CD2 3.88Å; W47-Y263 HydrophobicContact CE3-CD2 3.88Å; W47-Y263 HydrophobicContact CZ3-CD2 4.5Å; N52-Y263 PolarHBondContact ND2-O 3.33Å; D259-Y263 PolarHBondContact O-N 2.84Å; F260-Y263 VanDerWaalsContact O-CB 3.29Å; F260-Y263 WeakPolarHBondContact O-CB 3.43Å; F260-Y263 PolarHBondContact O-N 2.81Å; F260-Y263 VanDerWaalsContact O-N 3.14Å; Y263-G266 VanDerWaalsContact CE2-O 3.22Å; Y263-G266 WeakPolarHBondContact CE2-O 3.21Å; Y263-G266 PolarHBondContact OH-O 3.02Å; Y263-Y268 HydrophobicContact CD2-CD2 4.25Å; Y263-Y268 HydrophobicContact CD2-CG 4.44Å; Y263-W306 AromaticContact CD1-CH2 3.92Å; Y263-W306 HydrophobicContact CD1-CH2 3.92Å; Y263-W306 HydrophobicContact CD1-CZ2 4.03Å; Y263-W306 HydrophobicContact CD1-CZ3 4.43Å; Y263-W306 HydrophobicContact CG-CZ2 4.49Å; Y263-E308 HydrophobicContact CE1-CG 4.38Å; Y263-E308 PolarHBondContact OH-OE2 3.18Å; Y263-V312 HydrophobicContact CD1-CB 4.21Å; Y263-V312 HydrophobicContact CD1-CG2 3.93Å; Y263-V312 HydrophobicContact CD2-CG2 4.35Å; Y263-V312 HydrophobicContact CE1-CB 3.78Å; Y263-V312 HydrophobicContact CE1-CG2 3.63Å; Y263-V312 HydrophobicContact CE2-CG2 4.05Å; Y263-V312 HydrophobicContact CG-CG2 4.28Å; Y263-K313 PolarHBondContact OH-N 3.39Å
264	K	98.1	Very high	95.3	Very high	68 Å²	68	24.8 Å²	24.8	30%	0.296	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	-41.7	173.1	-65.2	-59	-66.4	165.1	0	113.6	K48 N52 V262 E305 G307 E308	K48-K264 PolarHBondContact O-N 3.24Å; N52-K264 VanDerWaalsContact OD1-CD 3.27Å; N52-K264 WeakPolarHBondContact OD1-CD 3.25Å; N52-K264 PolarHBondContact OD1-NZ 3.39Å; V262-K264 PolarHBondContact O-N 3.18Å; K264-E305 PolarHBondContact NZ-O 2.89Å; K264-G307 CarbonylContact O-C 3.54Å; K264-E308 WeakPolarHBondContact O-CG 3.5Å
265	S	98.4	Very high	95	Very high	37 Å²	37	27 Å²	27	26%	0.259	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	163.7	-177.9	66	0	0	0	0	113	W47 K48	W47-S265 CarbonylContact C-O 3.56Å; W47-S265 VanDerWaalsContact CA-O 3.29Å; W47-S265 WeakPolarHBondContact CA-O 3.27Å; W47-S265 VanDerWaalsContact CB-O 3.31Å; W47-S265 WeakPolarHBondContact CB-O 3.43Å; K48-S265 PolarHBondContact N-O 2.99Å; K48-S265 PolarHBondContact O-N 3.33Å
266	G	98.4	Very high	94.7	Very high	4 Å²	4	30 Å²	30	4%	0.041	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	85.8	-168.2	177	0	0	0	0	0	113.4	Y263 Y268 E290 E308	Y263-G266 VanDerWaalsContact CE2-O 3.22Å; Y263-G266 WeakPolarHBondContact CE2-O 3.21Å; Y263-G266 PolarHBondContact OH-O 3.02Å; G266-Y268 PolarHBondContact O-N 3.14Å; G266-E290 WeakPolarHBondContact CA-OE1 3.37Å; G266-E308 PolarHBondContact N-OE1 3.37Å
267	V	98.6	Very high	94.4	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.012	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	100.8	-173.4	-173.7	0	0	0	0	111	G46 F269 E290 T293 Y295 K313 R315	G46-V267 PolarHBondContact O-N 3.12Å; V267-F269 PolarHBondContact O-N 2.76Å; V267-E290 HydrophobicContact CG2-CB 3.6Å; V267-T293 HydrophobicContact CB-CG2 3.95Å; V267-T293 HydrophobicContact CG1-CG2 3.74Å; V267-T293 HydrophobicContact CG2-CG2 4.18Å; V267-Y295 HydrophobicContact CG2-CD1 3.89Å; V267-Y295 HydrophobicContact CG2-CG 4.33Å; V267-K313 CarbonylContact C-O 3.46Å; V267-K313 HydrophobicContact CG2-CB 4.32Å; V267-R315 HydrophobicContact CG1-CB 3.8Å; V267-R315 HydrophobicContact CG1-CG 4.28Å
268	Y	98.6	Very high	94.4	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	130.3	178.9	175.5	-102.2	0	0	0	111.6	W47 D259 F260 Y263 G266 P270 K313 R315	W47-Y268 HydrophobicContact CD2-CD2 4.2Å; W47-Y268 AromaticContact CE2-CD2 3.94Å; W47-Y268 HydrophobicContact CH2-CD2 4.41Å; W47-Y268 HydrophobicContact CH2-CE2 4.38Å; W47-Y268 HydrophobicContact CZ2-CD2 4.07Å; W47-Y268 HydrophobicContact CZ2-CE2 4.05Å; D259-Y268 PolarHBondContact OD1-OH 3.47Å; F260-Y268 HydrophobicContact CB-CE2 4.09Å; F260-Y268 AromaticContact CD2-CD1 3.72Å; F260-Y268 HydrophobicContact CD2-CD1 3.72Å; F260-Y268 HydrophobicContact CD2-CD2 4.08Å; F260-Y268 AromaticContact CD2-CE1 3.47Å; F260-Y268 HydrophobicContact CD2-CE1 3.47Å; F260-Y268 VanDerWaalsContact CD2-CE1 3.47Å; F260-Y268 AromaticContact CD2-CE2 3.85Å; F260-Y268 HydrophobicContact CD2-CE2 3.85Å; F260-Y268 HydrophobicContact CD2-CG 4.02Å; F260-Y268 AromaticContact CD2-CZ 3.54Å; F260-Y268 AromaticContact CE2-CD1 3.99Å; F260-Y268 HydrophobicContact CE2-CD1 3.99Å; F260-Y268 HydrophobicContact CE2-CE1 4.08Å; F260-Y268 HydrophobicContact CE2-CG 4.38Å; F260-Y268 HydrophobicContact CG-CE1 4.47Å; F260-Y268 HydrophobicContact CG-CE2 4.48Å; Y263-Y268 HydrophobicContact CD2-CD2 4.25Å; Y263-Y268 HydrophobicContact CD2-CG 4.44Å; G266-Y268 PolarHBondContact O-N 3.14Å; Y268-P270 HydrophobicContact CE1-CG 3.83Å; Y268-K313 WeakPolarHBondContact CB-O 3.35Å; Y268-K313 PolarHBondContact N-O 3.33Å; Y268-R315 PolarHBondContact O-N 2.82Å
269	F	97.3	Very high	94.4	Very high	70 Å²	70	30 Å²	30	31%	0.307	16%	0.162	S	C	.	.			trans	-139.6	130.5	164.8	-171.4	-106.1	0	0	0	108.1	W47 V267 T271 R315 V318 A320	W47-F269 PolarHBondContact NE1-O 2.93Å; W47-F269 VanDerWaalsContact NE1-O 3.13Å; V267-F269 PolarHBondContact O-N 2.76Å; F269-T271 PolarHBondContact O-N 2.84Å; F269-R315 HydrophobicContact CB-CB 4.34Å; F269-R315 HydrophobicContact CD2-CB 3.99Å; F269-V318 HydrophobicContact CD2-CG2 4.19Å; F269-V318 HydrophobicContact CE2-CG2 3.78Å; F269-A320 HydrophobicContact CD2-CB 3.59Å; F269-A320 HydrophobicContact CE2-CB 3.86Å
270	P	95.8	Very high	94.4	Very high	17 Å²	17	30.1 Å²	30.1	11%	0.11	16%	0.163	C	C	.	.			trans	-57.6	129.5	-176.5	-19.9	28.1	0	0	0	111.6	K257 Y268	K257-P270 HydrophobicContact CD-CB 3.7Å; K257-P270 HydrophobicContact CG-CB 4.12Å; Y268-P270 HydrophobicContact CE1-CG 3.83Å
271	T	94.1	Very high	94.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.164	C	C	.	.			trans	-78.2	152	-178.3	66.4	0	0	0	0	111.4	Y38 V39 F45 W47 K257 D259 F269 K273 S274	Y38-T271 HydrophobicContact CE1-CG2 4.43Å; V39-T271 HydrophobicContact CG2-CG2 3.92Å; F45-T271 HydrophobicContact CD1-CG2 4.21Å; F45-T271 HydrophobicContact CD2-CG2 4.08Å; F45-T271 HydrophobicContact CE1-CG2 4.27Å; F45-T271 HydrophobicContact CE2-CG2 4.1Å; F45-T271 HydrophobicContact CG-CG2 4.15Å; F45-T271 HydrophobicContact CZ-CG2 4.23Å; W47-T271 HydrophobicContact CZ2-CG2 3.78Å; K257-T271 PolarHBondContact NZ-O 3.47Å; D259-T271 VanDerWaalsContact OD2-CB 3.24Å; D259-T271 WeakPolarHBondContact OD2-CB 3.41Å; D259-T271 VanDerWaalsContact OD2-CG2 3.27Å; D259-T271 WeakPolarHBondContact OD2-CG2 3.19Å; D259-T271 PolarHBondContact OD2-N 2.58Å; D259-T271 PolarHBondContact OD2-OG1 3.18Å; F269-T271 PolarHBondContact O-N 2.84Å; T271-K273 VanDerWaalsContact C-N 3.26Å; T271-K273 PolarHBondContact O-N 2.9Å; T271-S274 PolarHBondContact O-N 3.49Å; T271-S274 WeakPolarHBondContact OG1-CB 3.48Å
272	P	91.3	Very high	94.5	Very high	103 Å²	103	30.3 Å²	30.3	67%	0.669	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-30.3	-179.7	-25.5	34.5	0	0	0	114.2	S274	P272-S274 VanDerWaalsContact C-N 3.32Å
273	K	87.7	Confident	94.7	Very high	144 Å²	144	30.5 Å²	30.5	63%	0.626	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-4.9	-177.1	-64.3	-169.6	-177.3	179.2	0	114.1	Y38 T271	Y38-K273 HydrophobicContact CD1-CB 4.38Å; Y38-K273 HydrophobicContact CD1-CD 4.21Å; Y38-K273 HydrophobicContact CD2-CD 4.08Å; Y38-K273 HydrophobicContact CE1-CB 3.9Å; Y38-K273 HydrophobicContact CE1-CD 3.81Å; Y38-K273 HydrophobicContact CE1-CG 3.85Å; Y38-K273 HydrophobicContact CE2-CD 3.67Å; Y38-K273 HydrophobicContact CE2-CG 4.41Å; Y38-K273 HydrophobicContact CG-CD 4.32Å; T271-K273 VanDerWaalsContact C-N 3.26Å; T271-K273 PolarHBondContact O-N 2.9Å
274	S	89.4	Confident	94.7	Very high	8 Å²	8	30.5 Å²	30.5	6%	0.056	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-90.4	140.4	-178.3	-170.4	0	0	0	0	110.5	K257 V258 D259 T271 P272	K257-S274 VanDerWaalsContact CB-OG 3.27Å; K257-S274 WeakPolarHBondContact CB-OG 3.22Å; K257-S274 VanDerWaalsContact CD-O 3.3Å; K257-S274 WeakPolarHBondContact CD-O 3.29Å; K257-S274 PolarHBondContact NZ-O 3.21Å; V258-S274 PolarHBondContact N-OG 3.07Å; D259-S274 WeakPolarHBondContact CB-OG 3.35Å; D259-S274 PolarHBondContact N-OG 2.98Å; D259-S274 WeakPolarHBondContact OD1-CB 3.28Å; D259-S274 PolarHBondContact OD1-OG 2.88Å; D259-S274 WeakPolarHBondContact OD2-CB 3.48Å; T271-S274 PolarHBondContact O-N 3.49Å; T271-S274 WeakPolarHBondContact OG1-CB 3.48Å; P272-S274 VanDerWaalsContact C-N 3.32Å
275	S	89.4	Confident	94.8	Very high	47 Å²	47	27.2 Å²	27.2	33%	0.329	15%	0.15	S	C	.	.	P	Polyproline II helix	trans	-87.9	149.4	177	-59.2	0	0	0	0	110.9	K257 V258	K257-S275 CarbonylContact C-O 3.57Å; K257-S275 WeakPolarHBondContact CA-O 3.41Å; K257-S275 VanDerWaalsContact CB-O 3.26Å; K257-S275 WeakPolarHBondContact CB-O 3.27Å; V258-S275 PolarHBondContact N-O 2.7Å
276	N	89.9	Confident	94.8	Very high	83 Å²	83	25.5 Å²	25.5	44%	0.444	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	138.8	172.3	-68	-17.3	0	0	0	110.3	K257	K257-N276 WeakPolarHBondContact CE-OD1 3.48Å
277	L	89.3	Confident	94.8	Very high	25 Å²	25	25.4 Å²	25.4	13%	0.131	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	-48.3	-179.8	-176.2	62.8	0	0	0	111	L23 F65 V256 L261	L23-L277 HydrophobicContact CD1-CD1 3.67Å; L23-L277 HydrophobicContact CD2-CD1 3.97Å; L23-L277 HydrophobicContact CG-CD1 3.82Å; F65-L277 HydrophobicContact CD1-CD2 4.26Å; F65-L277 HydrophobicContact CD1-CG 3.85Å; F65-L277 HydrophobicContact CD2-CD1 4.21Å; F65-L277 HydrophobicContact CD2-CD2 3.85Å; F65-L277 HydrophobicContact CD2-CG 3.87Å; F65-L277 HydrophobicContact CE1-CD2 3.81Å; F65-L277 HydrophobicContact CE1-CG 3.85Å; F65-L277 HydrophobicContact CE2-CD2 3.39Å; F65-L277 HydrophobicContact CE2-CG 3.92Å; F65-L277 HydrophobicContact CG-CD1 4.33Å; F65-L277 HydrophobicContact CG-CD2 4.28Å; F65-L277 HydrophobicContact CG-CG 3.86Å; F65-L277 HydrophobicContact CZ-CD2 3.36Å; F65-L277 HydrophobicContact CZ-CG 3.9Å; V256-L277 HydrophobicContact CG2-CB 4.4Å; V256-L277 HydrophobicContact CG2-CD2 4.48Å; V256-L277 WeakPolarHBondContact O-CB 3.4Å; V256-L277 PolarHBondContact O-N 2.73Å; L261-L277 HydrophobicContact CD1-CD2 3.67Å; L261-L277 HydrophobicContact CD2-CD2 3.73Å; L261-L277 HydrophobicContact CG-CD2 3.76Å
278	G	92.1	Very high	94.8	Very high	6 Å²	6	25.3 Å²	25.3	6%	0.062	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.6	175.2	177.8	0	0	0	0	0	112.2	N68 V256	N68-G278 WeakPolarHBondContact OD1-CA 3.4Å; V256-G278 WeakPolarHBondContact CG2-O 3.3Å; V256-G278 PolarHBondContact N-O 2.84Å; V256-G278 PolarHBondContact O-N 3.24Å
279	W	93.3	Very high	94.8	Very high	15 Å²	15	30 Å²	30	6%	0.057	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	140.8	173.1	-66.8	89.7	0	0	0	111.5	N68 I71 L74 I254 L255 Y322 Y326	N68-W279 PolarHBondContact ND2-N 3.43Å; N68-W279 PolarHBondContact ND2-O 2.88Å; N68-W279 PolarHBondContact OD1-N 2.93Å; I71-W279 HydrophobicContact CD1-CZ2 4.04Å; I71-W279 HydrophobicContact CG1-CZ2 3.66Å; L74-W279 HydrophobicContact CD1-CD2 3.48Å; L74-W279 VanDerWaalsContact CD1-CD2 3.48Å; L74-W279 HydrophobicContact CD1-CE3 3.53Å; L74-W279 HydrophobicContact CD1-CG 3.97Å; L74-W279 HydrophobicContact CD1-CH2 4.18Å; L74-W279 HydrophobicContact CD1-CZ2 4.16Å; L74-W279 HydrophobicContact CD1-CZ3 3.89Å; I254-W279 CarbonylContact O-C 3.34Å; I254-W279 VanDerWaalsContact O-CA 3.28Å; I254-W279 WeakPolarHBondContact O-CA 3.43Å; L255-W279 HydrophobicContact CB-CD2 4.07Å; L255-W279 HydrophobicContact CB-CE3 4.13Å; L255-W279 HydrophobicContact CB-CH2 3.93Å; L255-W279 HydrophobicContact CB-CZ2 3.84Å; L255-W279 HydrophobicContact CB-CZ3 4.07Å; L255-W279 HydrophobicContact CD1-CD2 4.42Å; L255-W279 HydrophobicContact CD1-CG 4.43Å; L255-W279 HydrophobicContact CD2-CZ2 4.49Å; L255-W279 VanDerWaalsContact N-CE3 3.33Å; W279-Y322 AromaticContact CH2-CD2 3.77Å; W279-Y322 HydrophobicContact CH2-CD2 3.77Å; W279-Y322 AromaticContact CH2-CG 3.98Å; W279-Y322 HydrophobicContact CH2-CG 3.98Å; W279-Y322 HydrophobicContact CZ2-CD2 4.21Å; W279-Y326 AromaticContact CH2-CD2 3.89Å; W279-Y326 HydrophobicContact CH2-CD2 3.89Å; W279-Y326 AromaticContact CH2-CE2 3.56Å; W279-Y326 HydrophobicContact CH2-CE2 3.56Å; W279-Y326 HydrophobicContact CZ2-CE2 4.32Å; W279-Y326 AromaticContact CZ3-CD2 3.74Å; W279-Y326 HydrophobicContact CZ3-CD2 3.74Å; W279-Y326 AromaticContact CZ3-CE2 3.93Å; W279-Y326 HydrophobicContact CZ3-CE2 3.93Å
280	I	95.2	Very high	94.8	Very high	3 Å²	3	30.1 Å²	30.1	2%	0.015	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	160.4	164.3	64.3	173.7	0	0	0	109.3	F65 D119 S253 I254 V256 F260 L282 W302	F65-I280 HydrophobicContact CD1-CG2 4.5Å; F65-I280 HydrophobicContact CE1-CG2 3.69Å; F65-I280 HydrophobicContact CZ-CG2 4.3Å; D119-I280 VanDerWaalsContact OD2-CA 3.25Å; D119-I280 WeakPolarHBondContact OD2-CA 3.19Å; S253-I280 WeakPolarHBondContact CA-O 3.45Å; I254-I280 HydrophobicContact CG2-CD1 4.23Å; I254-I280 HydrophobicContact CG2-CG1 3.55Å; I254-I280 PolarHBondContact N-O 3.3Å; I254-I280 PolarHBondContact O-N 3.18Å; V256-I280 HydrophobicContact CG1-CD1 3.73Å; V256-I280 HydrophobicContact CG1-CG1 3.8Å; V256-I280 HydrophobicContact CG2-CG2 4.27Å; F260-I280 HydrophobicContact CD1-CD1 4.4Å; F260-I280 HydrophobicContact CE1-CD1 3.63Å; F260-I280 HydrophobicContact CZ-CD1 4.14Å; I280-L282 HydrophobicContact CD1-CD2 4Å; I280-L282 HydrophobicContact CD1-CG 4.41Å; I280-W302 HydrophobicContact CD1-CH2 3.9Å; I280-W302 HydrophobicContact CD1-CZ2 3.98Å; I280-W302 HydrophobicContact CG2-CZ2 4.33Å
281	N	96.4	Very high	94.7	Very high	4 Å²	4	32.8 Å²	32.8	2%	0.021	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	132.2	171.8	-59.1	94.7	0	0	0	110.6	D119 W120 A123 E163 A252 S253	D119-N281 PolarHBondContact OD2-N 3.44Å; D119-N281 PolarHBondContact OD2-OD1 3.23Å; W120-N281 VanDerWaalsContact CA-OD1 3.3Å; W120-N281 WeakPolarHBondContact CA-OD1 3.45Å; W120-N281 WeakPolarHBondContact CB-OD1 3.19Å; A123-N281 HydrophobicContact CB-CB 3.66Å; E163-N281 VanDerWaalsContact CD-ND2 3.31Å; E163-N281 PolarHBondContact OE2-ND2 3.2Å; E163-N281 PolarHBondContact OE2-OD1 3.21Å; A252-N281 CarbonylContact O-C 3.46Å; A252-N281 WeakPolarHBondContact O-CA 3.5Å; S253-N281 PolarHBondContact OG-ND2 2.85Å; S253-N281 VanDerWaalsContact OG-ND2 3.11Å
282	L	98.3	Very high	94.8	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	157.2	172.3	-62.6	178.7	0	0	0	109.6	A252 I254 F260 I280 C298 N300 V312 I323	A252-L282 PolarHBondContact N-O 3.31Å; A252-L282 PolarHBondContact O-N 3.49Å; I254-L282 HydrophobicContact CG2-CD1 3.7Å; I254-L282 HydrophobicContact CG2-CG 3.92Å; F260-L282 HydrophobicContact CZ-CD1 4.49Å; I280-L282 HydrophobicContact CD1-CD2 4Å; I280-L282 HydrophobicContact CD1-CG 4.41Å; L282-C298 HydrophobicContact CB-CB 4.09Å; L282-C298 HydrophobicContact CD1-CB 3.86Å; L282-N300 HydrophobicContact CD2-CB 3.91Å; L282-V312 HydrophobicContact CD1-CG1 4.02Å; L282-I323 HydrophobicContact CD1-CD1 4.39Å
283	R	98.7	Very high	95.1	Very high	3 Å²	3	39.7 Å²	39.7	1%	0.011	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	114.1	168.5	175	176.2	64.6	159.8	-2.4	109.1	T106 I107 Q109 S127 D130 P249 V250 I285 C298 A299	T106-R283 PolarHBondContact O-NH1 3.48Å; T106-R283 VanDerWaalsContact O-NH1 3.1Å; I107-R283 PolarHBondContact O-NH2 3.21Å; Q109-R283 PolarHBondContact O-NH2 3.26Å; S127-R283 WeakPolarHBondContact OG-CD 3.34Å; S127-R283 VanDerWaalsContact OG-CG 3.31Å; S127-R283 WeakPolarHBondContact OG-CG 3.42Å; D130-R283 IonicContact OD1-NH1 3.75Å; D130-R283 PolarHBondContact OD1-NH1 3.42Å; D130-R283 WeakPolarHBondContact OD2-CD 3.27Å; D130-R283 IonicContact OD2-CZ 3.54Å; D130-R283 IonicContact OD2-NE 3.52Å; D130-R283 IonicContact OD2-NH1 3.91Å; D130-R283 PolarHBondContact OD2-NH1 3.27Å; P249-R283 HydrophobicContact CB-CG 3.84Å; V250-R283 CarbonylContact O-C 3.46Å; V250-R283 WeakPolarHBondContact O-CA 3.38Å; R283-I285 HydrophobicContact CG-CG2 3.92Å; R283-C298 CarbonylContact O-C 3.1Å; R283-C298 VanDerWaalsContact O-CA 3.32Å; R283-C298 WeakPolarHBondContact O-CA 3.42Å; R283-A299 HydrophobicContact CB-CB 4.4Å; R283-A299 PolarHBondContact N-O 3.21Å; R283-A299 PolarHBondContact O-N 2.75Å
284	I	98.9	Very high	95.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	121.5	175.1	-49.8	-177.5	0	0	0	108.3	I244 P249 V250 A252 W296 I323	I244-I284 HydrophobicContact CD1-CB 4.1Å; I244-I284 HydrophobicContact CD1-CG2 3.59Å; P249-I284 VanDerWaalsContact CA-O 3.22Å; P249-I284 WeakPolarHBondContact CA-O 3.46Å; P249-I284 WeakPolarHBondContact CB-O 3.21Å; V250-I284 HydrophobicContact CG2-CB 3.79Å; V250-I284 HydrophobicContact CG2-CD1 4.28Å; V250-I284 HydrophobicContact CG2-CG1 4.24Å; V250-I284 PolarHBondContact N-O 3.26Å; V250-I284 VanDerWaalsContact N-O 3.1Å; V250-I284 PolarHBondContact O-N 3.39Å; A252-I284 HydrophobicContact CB-CD1 3.5Å; A252-I284 VanDerWaalsContact CB-CD1 3.5Å; A252-I284 HydrophobicContact CB-CG1 3.68Å; I284-W296 HydrophobicContact CG2-CB 4.21Å; I284-W296 HydrophobicContact CG2-CD2 4.32Å; I284-W296 HydrophobicContact CG2-CE3 3.83Å; I284-I323 HydrophobicContact CD1-CD1 4.43Å; I284-I323 HydrophobicContact CD1-CG1 4.26Å
285	I	98.9	Very high	96	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	-5	-177.8	64.8	156.1	0	0	0	113.3	A97 R98 I107 P249 R283 L297 Y311	A97-I285 HydrophobicContact CB-CB 4.24Å; A97-I285 WeakPolarHBondContact CB-O 3.42Å; A97-I285 PolarHBondContact N-O 3.19Å; R98-I285 HydrophobicContact CG-CD1 4.04Å; I107-I285 HydrophobicContact CG2-CB 4.5Å; I107-I285 HydrophobicContact CG2-CG2 4.33Å; P249-I285 HydrophobicContact CB-CG2 4.01Å; P249-I285 HydrophobicContact CG-CB 4.28Å; P249-I285 HydrophobicContact CG-CG2 3.92Å; R283-I285 HydrophobicContact CG-CG2 3.92Å; I285-L297 HydrophobicContact CD1-CD2 3.69Å; I285-L297 HydrophobicContact CD1-CG 3.98Å; I285-L297 HydrophobicContact CG1-CB 4.3Å; I285-L297 HydrophobicContact CG1-CD2 3.86Å; I285-L297 HydrophobicContact CG1-CG 3.76Å; I285-L297 WeakPolarHBondContact CG1-O 3.38Å; I285-L297 PolarHBondContact N-O 2.98Å; I285-Y311 HydrophobicContact CD1-CD1 4.14Å; I285-Y311 HydrophobicContact CD1-CE1 3.56Å; I285-Y311 HydrophobicContact CG1-CE1 4.46Å
286	G	98.9	Very high	96.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.7	-165.5	-177.5	0	0	0	0	0	114.3	F95 L297	F95-G286 CarbonylContact O-C 3.46Å; F95-G286 WeakPolarHBondContact O-CA 3.32Å; G286-L297 PolarHBondContact N-O 3.12Å; G286-L297 PolarHBondContact O-N 2.86Å
287	W	98.9	Very high	96.9	Very high	3 Å²	3	30 Å²	30	1%	0.011	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	166.7	179.4	61.2	90.4	0	0	0	111.4	I91 P92 T94 F95 Q241 I244 L245 Y295 W296	I91-W287 HydrophobicContact CG2-CH2 4.49Å; I91-W287 HydrophobicContact CG2-CZ2 3.64Å; P92-W287 HydrophobicContact CG-CZ2 4.24Å; P92-W287 PolarHBondContact O-NE1 3.31Å; T94-W287 WeakPolarHBondContact CA-O 3.42Å; F95-W287 HydrophobicContact CB-CD2 3.75Å; F95-W287 VanDerWaalsContact CB-CE2 3.46Å; F95-W287 HydrophobicContact CB-CE3 3.93Å; F95-W287 HydrophobicContact CB-CH2 3.78Å; F95-W287 HydrophobicContact CB-CZ2 3.48Å; F95-W287 VanDerWaalsContact CB-CZ2 3.48Å; F95-W287 HydrophobicContact CB-CZ3 3.93Å; F95-W287 HydrophobicContact CD1-CE3 4.21Å; F95-W287 HydrophobicContact CD1-CH2 4.11Å; F95-W287 AromaticContact CD1-CZ3 3.8Å; F95-W287 HydrophobicContact CD1-CZ3 3.8Å; F95-W287 HydrophobicContact CG-CE3 4.45Å; F95-W287 AromaticContact CG-CH2 3.96Å; F95-W287 HydrophobicContact CG-CH2 3.96Å; F95-W287 HydrophobicContact CG-CZ2 4.12Å; F95-W287 HydrophobicContact CG-CZ3 4.07Å; F95-W287 PolarHBondContact N-O 3.38Å; F95-W287 PolarHBondContact O-N 3.03Å; F95-W287 VanDerWaalsContact O-O 3.08Å; Q241-W287 HydrophobicContact CB-CE3 4.43Å; Q241-W287 HydrophobicContact CB-CH2 3.61Å; Q241-W287 HydrophobicContact CB-CZ2 3.92Å; Q241-W287 HydrophobicContact CB-CZ3 3.96Å; Q241-W287 HydrophobicContact CG-CD2 3.84Å; Q241-W287 HydrophobicContact CG-CE3 3.91Å; Q241-W287 HydrophobicContact CG-CG 4.41Å; Q241-W287 HydrophobicContact CG-CH2 3.9Å; Q241-W287 HydrophobicContact CG-CZ2 3.96Å; Q241-W287 HydrophobicContact CG-CZ3 3.96Å; Q241-W287 VanDerWaalsContact NE2-CD1 3.3Å; Q241-W287 VanDerWaalsContact NE2-CE2 3.32Å; Q241-W287 VanDerWaalsContact NE2-NE1 3.12Å; Q241-W287 VanDerWaalsContact O-CH2 3.26Å; Q241-W287 WeakPolarHBondContact O-CH2 3.33Å; I244-W287 HydrophobicContact CB-CZ3 3.95Å; I244-W287 HydrophobicContact CD1-CZ3 4.4Å; I244-W287 HydrophobicContact CG2-CZ3 3.87Å; L245-W287 HydrophobicContact CD1-CH2 3.56Å; L245-W287 HydrophobicContact CD1-CZ2 3.81Å; L245-W287 HydrophobicContact CD2-CH2 4.28Å; L245-W287 HydrophobicContact CG-CH2 3.53Å; L245-W287 HydrophobicContact CG-CZ2 4.09Å; W287-Y295 WeakPolarHBondContact CA-O 3.32Å; W287-Y295 WeakPolarHBondContact CB-O 3.4Å; W287-W296 HydrophobicContact CB-CE3 3.95Å; W287-W296 HydrophobicContact CB-CZ3 4.22Å; W287-W296 HydrophobicContact CD2-CZ3 4.47Å; W287-W296 HydrophobicContact CE3-CE3 4.48Å; W287-W296 AromaticContact CE3-CZ3 3.97Å; W287-W296 HydrophobicContact CE3-CZ3 3.97Å
288	G	98.7	Very high	97.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.1	-151.3	170.5	0	0	0	0	0	112	P294 Y295 R316	G288-P294 WeakPolarHBondContact O-CA 3.47Å; G288-Y295 VanDerWaalsContact C-CE1 3.48Å; G288-Y295 VanDerWaalsContact N-CE2 3.27Å; G288-Y295 PolarHBondContact N-O 3.39Å; G288-Y295 VanDerWaalsContact N-O 3.08Å; G288-Y295 PolarHBondContact O-N 3.3Å; G288-R316 PolarHBondContact O-NH2 3.49Å; G288-R316 VanDerWaalsContact O-NH2 3.16Å
289	Y	98.4	Very high	97.7	Very high	98 Å²	98	28.9 Å²	28.9	38%	0.384	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	137	177.9	-69	-96.7	0	0	0	109.9	H93 T293 P294 Y295	H93-Y289 HydrophobicContact CB-CD2 4.46Å; H93-Y289 HydrophobicContact CB-CE2 4.13Å; H93-Y289 WeakPolarHBondContact O-CD2 3.36Å; H93-Y289 VanDerWaalsContact O-CE2 3.25Å; H93-Y289 WeakPolarHBondContact O-CE2 3.34Å; Y289-T293 WeakPolarHBondContact CA-O 3.41Å; Y289-P294 HydrophobicContact CD1-CB 4.13Å; Y289-P294 HydrophobicContact CE1-CB 3.78Å; Y289-P294 HydrophobicContact CE1-CG 4.49Å; Y289-Y295 VanDerWaalsContact N-CE1 3.29Å
290	E	96.9	Very high	97.9	Very high	73 Å²	73	28.5 Å²	28.5	34%	0.341	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	107.5	164.6	-165.5	170.5	93	0	0	107.7	G266 V267 K292 T293 Y295 K313	G266-E290 WeakPolarHBondContact CA-OE1 3.37Å; V267-E290 HydrophobicContact CG2-CB 3.6Å; E290-K292 PolarHBondContact O-N 3.03Å; E290-T293 PolarHBondContact N-O 3.39Å; E290-T293 PolarHBondContact O-N 3.41Å; E290-Y295 HydrophobicContact CB-CD1 4.29Å; E290-Y295 HydrophobicContact CB-CE1 4.32Å; E290-K313 IonicContact OE2-NZ 2.98Å; E290-K313 PolarHBondContact OE2-NZ 2.68Å
291	G	94.7	Very high	98	Very high	73 Å²	73	28.6 Å²	28.6	75%	0.753	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.7	-118.2	-162.8	0	0	0	0	0	110.6
292	K	95.4	Very high	98.1	Very high	203 Å²	203	28.4 Å²	28.4	88%	0.883	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-2.1	176.9	-64.7	-177.4	178.9	-179.8	0	113.5	E290 P294	E290-K292 PolarHBondContact O-N 3.03Å; K292-P294 WeakPolarHBondContact O-CD 3.17Å
293	T	97.6	Very high	97.9	Very high	44 Å²	44	28.8 Å²	28.8	27%	0.27	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	116	-171.3	-54.4	0	0	0	0	110.5	V267 Y289 E290 R315	V267-T293 HydrophobicContact CB-CG2 3.95Å; V267-T293 HydrophobicContact CG1-CG2 3.74Å; V267-T293 HydrophobicContact CG2-CG2 4.18Å; Y289-T293 WeakPolarHBondContact CA-O 3.41Å; E290-T293 PolarHBondContact N-O 3.39Å; E290-T293 PolarHBondContact O-N 3.41Å; T293-R315 HydrophobicContact CG2-CG 4.1Å
294	P	98.5	Very high	97.8	Very high	29 Å²	29	34 Å²	34	19%	0.188	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	142.9	175.6	29.7	-34.8	0	0	0	111.4	G288 Y289 K292 R316	G288-P294 WeakPolarHBondContact O-CA 3.47Å; Y289-P294 HydrophobicContact CD1-CB 4.13Å; Y289-P294 HydrophobicContact CE1-CB 3.78Å; Y289-P294 HydrophobicContact CE1-CG 4.49Å; K292-P294 WeakPolarHBondContact O-CD 3.17Å; P294-R316 HydrophobicContact CB-CB 4.28Å; P294-R316 VanDerWaalsContact CB-NH2 3.35Å; P294-R316 PolarHBondContact O-N 2.95Å
295	Y	98.8	Very high	97.7	Very high	37 Å²	37	39.5 Å²	39.5	15%	0.145	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	157.4	176.6	65.9	-105.7	0	0	0	113.2	V267 W287 G288 Y289 E290 L297 K313 V314 R316	V267-Y295 HydrophobicContact CG2-CD1 3.89Å; V267-Y295 HydrophobicContact CG2-CG 4.33Å; W287-Y295 WeakPolarHBondContact CA-O 3.32Å; W287-Y295 WeakPolarHBondContact CB-O 3.4Å; G288-Y295 VanDerWaalsContact C-CE1 3.48Å; G288-Y295 VanDerWaalsContact N-CE2 3.27Å; G288-Y295 PolarHBondContact N-O 3.39Å; G288-Y295 VanDerWaalsContact N-O 3.08Å; G288-Y295 PolarHBondContact O-N 3.3Å; Y289-Y295 VanDerWaalsContact N-CE1 3.29Å; E290-Y295 HydrophobicContact CB-CD1 4.29Å; E290-Y295 HydrophobicContact CB-CE1 4.32Å; Y295-L297 HydrophobicContact CD2-CB 4.44Å; Y295-L297 HydrophobicContact CE2-CB 4.15Å; Y295-K313 HydrophobicContact CD1-CB 4.37Å; Y295-K313 HydrophobicContact CD1-CD 4.04Å; Y295-K313 HydrophobicContact CD1-CG 4.3Å; Y295-K313 HydrophobicContact CD2-CB 4.01Å; Y295-K313 HydrophobicContact CD2-CD 4.39Å; Y295-K313 HydrophobicContact CD2-CG 3.82Å; Y295-K313 HydrophobicContact CE1-CD 3.99Å; Y295-K313 HydrophobicContact CE1-CG 4.45Å; Y295-K313 HydrophobicContact CE2-CD 4.38Å; Y295-K313 HydrophobicContact CE2-CG 4.04Å; Y295-K313 HydrophobicContact CG-CB 3.85Å; Y295-K313 HydrophobicContact CG-CD 4.25Å; Y295-K313 HydrophobicContact CG-CG 4Å; Y295-V314 CarbonylContact C-O 3.5Å; Y295-V314 WeakPolarHBondContact CA-O 3.49Å; Y295-R316 PolarHBondContact O-NE 3.37Å; Y295-R316 VanDerWaalsContact O-NE 3.16Å
296	W	98.9	Very high	97.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	137	156	-64.5	117	0	0	0	109.3	Q237 I240 Q241 I244 I284 W287 K313 V314 R316 E324	Q237-W296 HydrophobicContact CG-CH2 4.16Å; Q237-W296 HydrophobicContact CG-CZ2 3.84Å; I240-W296 HydrophobicContact CB-CH2 3.67Å; I240-W296 HydrophobicContact CB-CZ2 4.05Å; I240-W296 HydrophobicContact CB-CZ3 4.5Å; I240-W296 HydrophobicContact CD1-CZ2 4.29Å; I240-W296 HydrophobicContact CG2-CH2 3.44Å; I240-W296 VanDerWaalsContact CG2-CH2 3.44Å; I240-W296 HydrophobicContact CG2-CZ2 3.92Å; I240-W296 HydrophobicContact CG2-CZ3 3.84Å; Q241-W296 HydrophobicContact CG-CH2 3.57Å; Q241-W296 HydrophobicContact CG-CZ3 3.71Å; I244-W296 HydrophobicContact CD1-CZ3 4.26Å; I284-W296 HydrophobicContact CG2-CB 4.21Å; I284-W296 HydrophobicContact CG2-CD2 4.32Å; I284-W296 HydrophobicContact CG2-CE3 3.83Å; W287-W296 HydrophobicContact CB-CE3 3.95Å; W287-W296 HydrophobicContact CB-CZ3 4.22Å; W287-W296 HydrophobicContact CD2-CZ3 4.47Å; W287-W296 HydrophobicContact CE3-CE3 4.48Å; W287-W296 AromaticContact CE3-CZ3 3.97Å; W287-W296 HydrophobicContact CE3-CZ3 3.97Å; W296-K313 CarbonylContact O-C 3.57Å; W296-K313 VanDerWaalsContact O-CA 3.24Å; W296-K313 WeakPolarHBondContact O-CA 3.22Å; W296-V314 PolarHBondContact N-O 3.34Å; W296-V314 PolarHBondContact O-N 3.29Å; W296-R316 HydrophobicContact CD2-CB 4.16Å; W296-R316 HydrophobicContact CD2-CG 3.96Å; W296-R316 VanDerWaalsContact CE2-CD 3.47Å; W296-R316 VanDerWaalsContact CE2-CG 3.44Å; W296-R316 HydrophobicContact CG-CB 4.02Å; W296-R316 HydrophobicContact CG-CG 4.34Å; W296-R316 HydrophobicContact CH2-CG 4.4Å; W296-R316 HydrophobicContact CZ2-CG 3.69Å; W296-E324 HydrophobicContact CZ2-CG 4.17Å; W296-E324 PolarHBondContact NE1-OE1 3.02Å
297	L	98.9	Very high	97.5	Very high	14 Å²	14	40.1 Å²	40.1	7%	0.073	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	113.4	171.6	178.5	62.2	0	0	0	108.5	D96 I285 G286 Y295 Y311 K313	D96-L297 VanDerWaalsContact OD2-CD2 3.27Å; D96-L297 WeakPolarHBondContact OD2-CD2 3.49Å; I285-L297 HydrophobicContact CD1-CD2 3.69Å; I285-L297 HydrophobicContact CD1-CG 3.98Å; I285-L297 HydrophobicContact CG1-CB 4.3Å; I285-L297 HydrophobicContact CG1-CD2 3.86Å; I285-L297 HydrophobicContact CG1-CG 3.76Å; I285-L297 WeakPolarHBondContact CG1-O 3.38Å; I285-L297 PolarHBondContact N-O 2.98Å; G286-L297 PolarHBondContact N-O 3.12Å; G286-L297 PolarHBondContact O-N 2.86Å; Y295-L297 HydrophobicContact CD2-CB 4.44Å; Y295-L297 HydrophobicContact CE2-CB 4.15Å; L297-Y311 HydrophobicContact CD1-CD1 4.25Å; L297-Y311 HydrophobicContact CD1-CG 4.43Å; L297-K313 HydrophobicContact CD1-CG 4.5Å
298	C	98.9	Very high	97.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	135.7	-174.6	-54.1	0	0	0	0	111	L282 R283 Y311 V312	L282-C298 HydrophobicContact CB-CB 4.09Å; L282-C298 HydrophobicContact CD1-CB 3.86Å; R283-C298 CarbonylContact O-C 3.1Å; R283-C298 VanDerWaalsContact O-CA 3.32Å; R283-C298 WeakPolarHBondContact O-CA 3.42Å; C298-Y311 CarbonylContact O-C 3.53Å; C298-Y311 VanDerWaalsContact O-CA 3.24Å; C298-Y311 WeakPolarHBondContact O-CA 3.06Å; C298-V312 HydrophobicContact CB-CG1 3.9Å; C298-V312 PolarHBondContact N-O 2.84Å; C298-V312 PolarHBondContact O-N 3.02Å
299	A	98.8	Very high	97.4	Very high	6 Å²	6	48.2 Å²	48.2	5%	0.05	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	134.2	168.2	0	0	0	0	0	110	I110 R283 Y311	I110-A299 HydrophobicContact CD1-CB 3.7Å; R283-A299 HydrophobicContact CB-CB 4.4Å; R283-A299 PolarHBondContact N-O 3.21Å; R283-A299 PolarHBondContact O-N 2.75Å; A299-Y311 HydrophobicContact CB-CD1 3.97Å; A299-Y311 HydrophobicContact CB-CE1 3.79Å
300	N	98	Very high	97.4	Very high	8 Å²	8	43.6 Å²	43.6	4%	0.043	23%	0.232	C	C	.	.			trans	-105.5	168.7	176.1	-159.7	-1.4	0	0	0	110.9	L282 W302 W306 G310	L282-N300 HydrophobicContact CD2-CB 3.91Å; N300-W302 WeakPolarHBondContact ND2-CZ3 3.38Å; N300-W306 HydrophobicContact CB-CE3 3.98Å; N300-W306 HydrophobicContact CB-CZ3 3.72Å; N300-W306 WeakPolarHBondContact ND2-CH2 3.49Å; N300-W306 WeakPolarHBondContact ND2-CZ3 3.43Å; N300-G310 WeakPolarHBondContact CB-O 3.28Å; N300-G310 PolarHBondContact N-O 3.07Å
301	S	97.3	Very high	97.5	Very high	4 Å²	4	40.8 Å²	40.8	3%	0.028	22%	0.219	C	C	.	.	S	Bend	trans	-106.6	32.3	177.4	53.9	0	0	0	0	112.9	H111 D112 E113	H111-S301 CarbonylContact O-C 3.57Å; H111-S301 WeakPolarHBondContact O-CA 3.31Å; D112-S301 CarbonylContact C-O 3.54Å; D112-S301 VanDerWaalsContact CA-O 3.32Å; D112-S301 WeakPolarHBondContact CA-O 3.16Å; E113-S301 WeakPolarHBondContact CG-O 3.03Å; E113-S301 PolarHBondContact N-O 3.3Å
302	W	97	Very high	97.7	Very high	1 Å²	1	37.3 Å²	37.3	0%	0.004	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-114.3	33.6	-175.8	-66.4	-16.4	0	0	0	113.7	R54 F55 F65 H111 E113 F260 L261 I280 N300 W306	R54-W302 PolarHBondContact NH1-O 2.9Å; F55-W302 HydrophobicContact CE2-CE3 4.01Å; F55-W302 HydrophobicContact CE2-CZ3 4.08Å; F55-W302 AromaticContact CZ-CD2 3.81Å; F55-W302 HydrophobicContact CZ-CD2 3.81Å; F55-W302 AromaticContact CZ-CE3 3.46Å; F55-W302 HydrophobicContact CZ-CE3 3.46Å; F55-W302 VanDerWaalsContact CZ-CE3 3.46Å; F55-W302 HydrophobicContact CZ-CH2 4.1Å; F55-W302 HydrophobicContact CZ-CZ2 4.39Å; F55-W302 AromaticContact CZ-CZ3 3.62Å; F55-W302 HydrophobicContact CZ-CZ3 3.62Å; F65-W302 HydrophobicContact CZ-CH2 4.27Å; F65-W302 HydrophobicContact CZ-CZ2 4.17Å; H111-W302 PolarHBondContact O-N 3.11Å; E113-W302 VanDerWaalsContact OE1-CD1 3.22Å; E113-W302 PolarHBondContact OE1-NE1 3.45Å; F260-W302 AromaticContact CD1-CH2 3.75Å; F260-W302 HydrophobicContact CD1-CH2 3.75Å; F260-W302 AromaticContact CD1-CZ3 3.67Å; F260-W302 HydrophobicContact CD1-CZ3 3.67Å; F260-W302 AromaticContact CE1-CH2 3.67Å; F260-W302 HydrophobicContact CE1-CH2 3.67Å; F260-W302 AromaticContact CE1-CZ3 3.49Å; F260-W302 HydrophobicContact CE1-CZ3 3.49Å; F260-W302 VanDerWaalsContact CE1-CZ3 3.49Å; L261-W302 HydrophobicContact CD2-CH2 4.13Å; L261-W302 HydrophobicContact CD2-CZ3 4.39Å; I280-W302 HydrophobicContact CD1-CH2 3.9Å; I280-W302 HydrophobicContact CD1-CZ2 3.98Å; I280-W302 HydrophobicContact CG2-CZ2 4.33Å; N300-W302 WeakPolarHBondContact ND2-CZ3 3.38Å; W302-W306 HydrophobicContact CB-CB 4.04Å; W302-W306 HydrophobicContact CB-CG 4.16Å; W302-W306 AromaticContact CE3-CD1 3.9Å; W302-W306 AromaticContact CE3-CD2 3.72Å; W302-W306 HydrophobicContact CE3-CD2 3.72Å; W302-W306 AromaticContact CE3-CE2 3.48Å; W302-W306 VanDerWaalsContact CE3-CE2 3.48Å; W302-W306 HydrophobicContact CE3-CE3 4.34Å; W302-W306 AromaticContact CE3-CG 3.98Å; W302-W306 HydrophobicContact CE3-CG 3.98Å; W302-W306 HydrophobicContact CE3-CH2 4.48Å; W302-W306 AromaticContact CE3-CZ2 3.89Å; W302-W306 HydrophobicContact CE3-CZ2 3.89Å; W302-W306 AromaticContact CE3-NE1 3.61Å; W302-W306 HydrophobicContact CZ3-CD2 4.39Å; W302-W306 AromaticContact CZ3-CE2 3.7Å; W302-W306 HydrophobicContact CZ3-CH2 4.44Å; W302-W306 AromaticContact CZ3-CZ2 3.72Å; W302-W306 HydrophobicContact CZ3-CZ2 3.72Å; W302-W306 AromaticContact CZ3-NE1 3.83Å; W302-W306 WeakPolarHBondContact O-CB 3.33Å
303	S	96.1	Very high	97.9	Very high	8 Å²	8	29.1 Å²	29.1	6%	0.056	15%	0.147	C	C	.	.			trans	65.7	173.3	-175.8	90.1	0	0	0	0	114.2	H111 E305 G310	H111-S303 PolarHBondContact O-N 3.19Å; S303-E305 VanDerWaalsContact C-N 3.3Å; S303-E305 WeakPolarHBondContact CB-OE2 3.04Å; S303-E305 PolarHBondContact OG-N 2.03Å; S303-E305 PolarHBondContact OG-OE2 2.9Å; S303-G310 VanDerWaalsContact O-CA 3.22Å; S303-G310 WeakPolarHBondContact O-CA 3.36Å
304	K	96.6	Very high	97.9	Very high	112 Å²	112	27 Å²	27	49%	0.487	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-17.9	-178.7	-68.6	-177.7	178.4	178.9	0	112.6	I110 W306 N309 G310	I110-K304 HydrophobicContact CB-CG 3.92Å; I110-K304 HydrophobicContact CG1-CG 4.46Å; I110-K304 HydrophobicContact CG2-CG 3.88Å; K304-W306 VanDerWaalsContact C-N 3.26Å; K304-W306 PolarHBondContact O-N 3.46Å; K304-N309 CarbonylContact O-C 3.21Å; K304-N309 WeakPolarHBondContact O-CA 3.41Å; K304-G310 PolarHBondContact O-N 2.87Å
305	E	95.4	Very high	97.9	Very high	117 Å²	117	30.1 Å²	30.1	55%	0.547	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-21	-178.6	-65.1	69.5	-152.4	0	0	112.3	K264 S303	K264-E305 PolarHBondContact NZ-O 2.89Å; S303-E305 VanDerWaalsContact C-N 3.3Å; S303-E305 WeakPolarHBondContact CB-OE2 3.04Å; S303-E305 PolarHBondContact OG-N 2.03Å; S303-E305 PolarHBondContact OG-OE2 2.9Å
306	W	97.1	Very high	97.9	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.008	14%	0.136	C	C	.	.	S	Bend	trans	-85.1	143.4	175	-176.8	84.7	0	0	0	112.3	N52 F55 F260 Y263 N300 W302 K304 G310 V312	N52-W306 PolarHBondContact ND2-NE1 2.86Å; F55-W306 AromaticContact CE2-CD1 3.55Å; F55-W306 AromaticContact CE2-NE1 3.57Å; F260-W306 HydrophobicContact CD1-CH2 4.47Å; F260-W306 AromaticContact CD1-CZ2 4Å; F260-W306 HydrophobicContact CD1-CZ2 4Å; F260-W306 AromaticContact CE1-CH2 3.66Å; F260-W306 HydrophobicContact CE1-CH2 3.66Å; F260-W306 AromaticContact CE1-CZ2 3.59Å; F260-W306 HydrophobicContact CE1-CZ2 3.59Å; F260-W306 HydrophobicContact CE2-CH2 4.21Å; F260-W306 HydrophobicContact CE2-CZ2 4.5Å; F260-W306 AromaticContact CZ-CH2 3.53Å; F260-W306 HydrophobicContact CZ-CH2 3.53Å; F260-W306 AromaticContact CZ-CZ2 3.9Å; F260-W306 HydrophobicContact CZ-CZ2 3.9Å; Y263-W306 AromaticContact CD1-CH2 3.92Å; Y263-W306 HydrophobicContact CD1-CH2 3.92Å; Y263-W306 HydrophobicContact CD1-CZ2 4.03Å; Y263-W306 HydrophobicContact CD1-CZ3 4.43Å; Y263-W306 HydrophobicContact CG-CZ2 4.49Å; N300-W306 HydrophobicContact CB-CE3 3.98Å; N300-W306 HydrophobicContact CB-CZ3 3.72Å; N300-W306 WeakPolarHBondContact ND2-CH2 3.49Å; N300-W306 WeakPolarHBondContact ND2-CZ3 3.43Å; W302-W306 HydrophobicContact CB-CB 4.04Å; W302-W306 HydrophobicContact CB-CG 4.16Å; W302-W306 AromaticContact CE3-CD1 3.9Å; W302-W306 AromaticContact CE3-CD2 3.72Å; W302-W306 HydrophobicContact CE3-CD2 3.72Å; W302-W306 AromaticContact CE3-CE2 3.48Å; W302-W306 VanDerWaalsContact CE3-CE2 3.48Å; W302-W306 HydrophobicContact CE3-CE3 4.34Å; W302-W306 AromaticContact CE3-CG 3.98Å; W302-W306 HydrophobicContact CE3-CG 3.98Å; W302-W306 HydrophobicContact CE3-CH2 4.48Å; W302-W306 AromaticContact CE3-CZ2 3.89Å; W302-W306 HydrophobicContact CE3-CZ2 3.89Å; W302-W306 AromaticContact CE3-NE1 3.61Å; W302-W306 HydrophobicContact CZ3-CD2 4.39Å; W302-W306 AromaticContact CZ3-CE2 3.7Å; W302-W306 HydrophobicContact CZ3-CH2 4.44Å; W302-W306 AromaticContact CZ3-CZ2 3.72Å; W302-W306 HydrophobicContact CZ3-CZ2 3.72Å; W302-W306 AromaticContact CZ3-NE1 3.83Å; W302-W306 WeakPolarHBondContact O-CB 3.33Å; K304-W306 VanDerWaalsContact C-N 3.26Å; K304-W306 PolarHBondContact O-N 3.46Å; W306-G310 VanDerWaalsContact O-CA 3.28Å; W306-G310 WeakPolarHBondContact O-CA 3.11Å; W306-G310 PolarHBondContact O-N 3.3Å; W306-V312 HydrophobicContact CH2-CB 3.76Å; W306-V312 HydrophobicContact CH2-CG1 4.07Å; W306-V312 HydrophobicContact CH2-CG2 4.29Å; W306-V312 HydrophobicContact CZ3-CB 3.89Å; W306-V312 HydrophobicContact CZ3-CG1 4.18Å
307	G	97.5	Very high	97.8	Very high	10 Å²	10	30.4 Å²	30.4	10%	0.103	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	-139.6	174.8	0	0	0	0	0	113.7	K264 N309	K264-G307 CarbonylContact O-C 3.54Å; G307-N309 PolarHBondContact O-N 2.04Å
308	E	98	Very high	97.7	Very high	49 Å²	49	32.8 Å²	32.8	23%	0.229	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-94.3	80.2	177	-62.5	-173.8	123.1	0	0	109.5	Y263 K264 G266 G310 Y311 K313	Y263-E308 HydrophobicContact CE1-CG 4.38Å; Y263-E308 PolarHBondContact OH-OE2 3.18Å; K264-E308 WeakPolarHBondContact O-CG 3.5Å; G266-E308 PolarHBondContact N-OE1 3.37Å; E308-G310 VanDerWaalsContact C-N 3.31Å; E308-G310 PolarHBondContact O-N 3.42Å; E308-Y311 PolarHBondContact N-O 2.99Å; E308-Y311 WeakPolarHBondContact O-CB 3.31Å; E308-Y311 WeakPolarHBondContact O-CD2 3.15Å; E308-Y311 PolarHBondContact O-N 3.36Å; E308-Y311 VanDerWaalsContact O-N 3.09Å; E308-K313 IonicContact OE1-NZ 2.81Å; E308-K313 PolarHBondContact OE1-NZ 2.81Å; E308-K313 WeakPolarHBondContact OE2-CD 3.42Å; E308-K313 WeakPolarHBondContact OE2-CE 3.31Å; E308-K313 IonicContact OE2-NZ 2.81Å; E308-K313 PolarHBondContact OE2-NZ 3.12Å
309	N	97.6	Very high	97.5	Very high	125 Å²	125	35.8 Å²	35.8	67%	0.668	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.3	37.4	-176.8	-61.6	-47.8	0	0	0	114	K304 G307 Y311	K304-N309 CarbonylContact O-C 3.21Å; K304-N309 WeakPolarHBondContact O-CA 3.41Å; G307-N309 PolarHBondContact O-N 2.04Å; N309-Y311 VanDerWaalsContact C-N 3.35Å; N309-Y311 WeakPolarHBondContact O-CD2 3.29Å
310	G	98.1	Very high	97.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.6	-0.8	-175.6	0	0	0	0	0	114.8	N300 S303 K304 W306 E308	N300-G310 WeakPolarHBondContact CB-O 3.28Å; N300-G310 PolarHBondContact N-O 3.07Å; S303-G310 VanDerWaalsContact O-CA 3.22Å; S303-G310 WeakPolarHBondContact O-CA 3.36Å; K304-G310 PolarHBondContact O-N 2.87Å; W306-G310 VanDerWaalsContact O-CA 3.28Å; W306-G310 WeakPolarHBondContact O-CA 3.11Å; W306-G310 PolarHBondContact O-N 3.3Å; E308-G310 VanDerWaalsContact C-N 3.31Å; E308-G310 PolarHBondContact O-N 3.42Å
311	Y	98.7	Very high	97.3	Very high	15 Å²	15	35.7 Å²	35.7	6%	0.059	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	160.1	176.4	-59.7	-91.7	0	0	0	112	R98 I110 I285 L297 C298 A299 E308 N309	R98-Y311 VanDerWaalsContact NH1-CZ 3.28Å; R98-Y311 PolarHBondContact NH1-OH 3.21Å; I110-Y311 HydrophobicContact CD1-CD1 4.35Å; I110-Y311 HydrophobicContact CD1-CD2 4.32Å; I110-Y311 HydrophobicContact CD1-CE1 3.92Å; I110-Y311 HydrophobicContact CD1-CE2 3.89Å; I110-Y311 HydrophobicContact CG1-CE2 3.88Å; I285-Y311 HydrophobicContact CD1-CD1 4.14Å; I285-Y311 HydrophobicContact CD1-CE1 3.56Å; I285-Y311 HydrophobicContact CG1-CE1 4.46Å; L297-Y311 HydrophobicContact CD1-CD1 4.25Å; L297-Y311 HydrophobicContact CD1-CG 4.43Å; C298-Y311 CarbonylContact O-C 3.53Å; C298-Y311 VanDerWaalsContact O-CA 3.24Å; C298-Y311 WeakPolarHBondContact O-CA 3.06Å; A299-Y311 HydrophobicContact CB-CD1 3.97Å; A299-Y311 HydrophobicContact CB-CE1 3.79Å; E308-Y311 PolarHBondContact N-O 2.99Å; E308-Y311 WeakPolarHBondContact O-CB 3.31Å; E308-Y311 WeakPolarHBondContact O-CD2 3.15Å; E308-Y311 PolarHBondContact O-N 3.36Å; E308-Y311 VanDerWaalsContact O-N 3.09Å; N309-Y311 VanDerWaalsContact C-N 3.35Å; N309-Y311 WeakPolarHBondContact O-CD2 3.29Å
312	V	98.7	Very high	97.2	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	136.4	169.7	56.6	0	0	0	0	109.7	F260 Y263 L282 C298 W306 V314	F260-V312 HydrophobicContact CE2-CG1 4.39Å; F260-V312 HydrophobicContact CE2-CG2 4.01Å; F260-V312 HydrophobicContact CZ-CG1 4.16Å; F260-V312 HydrophobicContact CZ-CG2 4.47Å; Y263-V312 HydrophobicContact CD1-CB 4.21Å; Y263-V312 HydrophobicContact CD1-CG2 3.93Å; Y263-V312 HydrophobicContact CD2-CG2 4.35Å; Y263-V312 HydrophobicContact CE1-CB 3.78Å; Y263-V312 HydrophobicContact CE1-CG2 3.63Å; Y263-V312 HydrophobicContact CE2-CG2 4.05Å; Y263-V312 HydrophobicContact CG-CG2 4.28Å; L282-V312 HydrophobicContact CD1-CG1 4.02Å; C298-V312 HydrophobicContact CB-CG1 3.9Å; C298-V312 PolarHBondContact N-O 2.84Å; C298-V312 PolarHBondContact O-N 3.02Å; W306-V312 HydrophobicContact CH2-CB 3.76Å; W306-V312 HydrophobicContact CH2-CG1 4.07Å; W306-V312 HydrophobicContact CH2-CG2 4.29Å; W306-V312 HydrophobicContact CZ3-CB 3.89Å; W306-V312 HydrophobicContact CZ3-CG1 4.18Å; V312-V314 HydrophobicContact CG1-CG2 4.1Å; V312-V314 HydrophobicContact CG2-CG2 3.97Å
313	K	98.8	Very high	97.3	Very high	31 Å²	31	41 Å²	41	14%	0.135	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	118	166	-62.3	166.3	-170.1	143.9	0	108.3	Y263 V267 Y268 E290 Y295 W296 L297 E308	Y263-K313 PolarHBondContact OH-N 3.39Å; V267-K313 CarbonylContact C-O 3.46Å; V267-K313 HydrophobicContact CG2-CB 4.32Å; Y268-K313 WeakPolarHBondContact CB-O 3.35Å; Y268-K313 PolarHBondContact N-O 3.33Å; E290-K313 IonicContact OE2-NZ 2.98Å; E290-K313 PolarHBondContact OE2-NZ 2.68Å; Y295-K313 HydrophobicContact CD1-CB 4.37Å; Y295-K313 HydrophobicContact CD1-CD 4.04Å; Y295-K313 HydrophobicContact CD1-CG 4.3Å; Y295-K313 HydrophobicContact CD2-CB 4.01Å; Y295-K313 HydrophobicContact CD2-CD 4.39Å; Y295-K313 HydrophobicContact CD2-CG 3.82Å; Y295-K313 HydrophobicContact CE1-CD 3.99Å; Y295-K313 HydrophobicContact CE1-CG 4.45Å; Y295-K313 HydrophobicContact CE2-CD 4.38Å; Y295-K313 HydrophobicContact CE2-CG 4.04Å; Y295-K313 HydrophobicContact CG-CB 3.85Å; Y295-K313 HydrophobicContact CG-CD 4.25Å; Y295-K313 HydrophobicContact CG-CG 4Å; W296-K313 CarbonylContact O-C 3.57Å; W296-K313 VanDerWaalsContact O-CA 3.24Å; W296-K313 WeakPolarHBondContact O-CA 3.22Å; L297-K313 HydrophobicContact CD1-CG 4.5Å; E308-K313 IonicContact OE1-NZ 2.81Å; E308-K313 PolarHBondContact OE1-NZ 2.81Å; E308-K313 WeakPolarHBondContact OE2-CD 3.42Å; E308-K313 WeakPolarHBondContact OE2-CE 3.31Å; E308-K313 IonicContact OE2-NZ 2.81Å; E308-K313 PolarHBondContact OE2-NZ 3.12Å
314	V	98.7	Very high	97.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	133.4	178	-179	0	0	0	0	109.1	I254 Y295 W296 V312 R316 A320 I323	I254-V314 HydrophobicContact CD1-CG1 4.05Å; I254-V314 HydrophobicContact CD1-CG2 4.19Å; Y295-V314 CarbonylContact C-O 3.5Å; Y295-V314 WeakPolarHBondContact CA-O 3.49Å; W296-V314 PolarHBondContact N-O 3.34Å; W296-V314 PolarHBondContact O-N 3.29Å; V312-V314 HydrophobicContact CG1-CG2 4.1Å; V312-V314 HydrophobicContact CG2-CG2 3.97Å; V314-R316 PolarHBondContact O-N 2.89Å; V314-A320 HydrophobicContact CG1-CB 3.8Å; V314-I323 HydrophobicContact CG1-CB 4.3Å; V314-I323 HydrophobicContact CG1-CG1 4.44Å; V314-I323 HydrophobicContact CG1-CG2 4Å
315	R	98.4	Very high	97.3	Very high	94 Å²	94	37.5 Å²	37.5	36%	0.355	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	124.5	-177.7	-166.5	174.6	175.1	169.9	1.3	111.6	V267 Y268 F269 T293 V318 A320	V267-R315 HydrophobicContact CG1-CB 3.8Å; V267-R315 HydrophobicContact CG1-CG 4.28Å; Y268-R315 PolarHBondContact O-N 2.82Å; F269-R315 HydrophobicContact CB-CB 4.34Å; F269-R315 HydrophobicContact CD2-CB 3.99Å; T293-R315 HydrophobicContact CG2-CG 4.1Å; R315-V318 HydrophobicContact CB-CG2 4.06Å; R315-V318 HydrophobicContact CG-CG2 3.68Å; R315-A320 HydrophobicContact CB-CB 4.16Å; R315-A320 VanDerWaalsContact O-CB 3.28Å; R315-A320 WeakPolarHBondContact O-CB 3.46Å
316	R	98.4	Very high	97.2	Very high	3 Å²	3	34.2 Å²	34.2	1%	0.011	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	149.7	-175	169.6	171.7	58.5	80.2	-3.9	112	Q237 G288 P294 Y295 W296 V314 V318	Q237-R316 HydrophobicContact CG-CG 3.58Å; Q237-R316 VanDerWaalsContact OE1-NH1 3.16Å; G288-R316 PolarHBondContact O-NH2 3.49Å; G288-R316 VanDerWaalsContact O-NH2 3.16Å; P294-R316 HydrophobicContact CB-CB 4.28Å; P294-R316 VanDerWaalsContact CB-NH2 3.35Å; P294-R316 PolarHBondContact O-N 2.95Å; Y295-R316 PolarHBondContact O-NE 3.37Å; Y295-R316 VanDerWaalsContact O-NE 3.16Å; W296-R316 HydrophobicContact CD2-CB 4.16Å; W296-R316 HydrophobicContact CD2-CG 3.96Å; W296-R316 VanDerWaalsContact CE2-CD 3.47Å; W296-R316 VanDerWaalsContact CE2-CG 3.44Å; W296-R316 HydrophobicContact CG-CB 4.02Å; W296-R316 HydrophobicContact CG-CG 4.34Å; W296-R316 HydrophobicContact CH2-CG 4.4Å; W296-R316 HydrophobicContact CZ2-CG 3.69Å; V314-R316 PolarHBondContact O-N 2.89Å; R316-V318 VanDerWaalsContact C-N 3.34Å
317	G	97.5	Very high	97.2	Very high	39 Å²	39	34.1 Å²	34.1	40%	0.402	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.2	11.8	175.2	0	0	0	0	0	114.4	E324	G317-E324 PolarHBondContact N-OE1 2.57Å
318	V	96.6	Very high	97.1	Very high	65 Å²	65	33.9 Å²	33.9	39%	0.394	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-137.8	14.5	-173.6	-60	0	0	0	0	113.1	F269 R315 R316 A320	F269-V318 HydrophobicContact CD2-CG2 4.19Å; F269-V318 HydrophobicContact CE2-CG2 3.78Å; R315-V318 HydrophobicContact CB-CG2 4.06Å; R315-V318 HydrophobicContact CG-CG2 3.68Å; R316-V318 VanDerWaalsContact C-N 3.34Å; V318-A320 HydrophobicContact CG2-CB 4.22Å; V318-A320 PolarHBondContact O-N 2.92Å
319	Q	95.3	Very high	97.1	Very high	63 Å²	63	31.5 Å²	31.5	29%	0.294	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	42.3	-179	-65.3	-72.6	-10.2	0	0	112.8	G321 Y322 E324 S325	Q319-G321 PolarHBondContact O-N 3.31Å; Q319-Y322 PolarHBondContact O-N 3.2Å; Q319-E324 PolarHBondContact N-OE2 3.42Å; Q319-E324 VanDerWaalsContact N-OE2 3.17Å; Q319-S325 PolarHBondContact OE1-OG 2.72Å
320	A	96.5	Very high	97.2	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.008	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-61.1	109	179.5	0	0	0	0	0	110.2	F269 V314 R315 V318 Y322 I323	F269-A320 HydrophobicContact CD2-CB 3.59Å; F269-A320 HydrophobicContact CE2-CB 3.86Å; V314-A320 HydrophobicContact CG1-CB 3.8Å; R315-A320 HydrophobicContact CB-CB 4.16Å; R315-A320 VanDerWaalsContact O-CB 3.28Å; R315-A320 WeakPolarHBondContact O-CB 3.46Å; V318-A320 HydrophobicContact CG2-CB 4.22Å; V318-A320 PolarHBondContact O-N 2.92Å; A320-Y322 PolarHBondContact O-N 2.72Å; A320-I323 WeakPolarHBondContact O-CB 3.27Å; A320-I323 VanDerWaalsContact O-CG2 3.3Å; A320-I323 WeakPolarHBondContact O-CG2 3.15Å; A320-I323 PolarHBondContact O-N 2.67Å
321	G	95.4	Very high	97.2	Very high	11 Å²	11	26.5 Å²	26.5	11%	0.113	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	60.5	27	-171.4	0	0	0	0	0	113.3	I254 L255 Q319 I323	I254-G321 CarbonylContact C-O 3.53Å; I254-G321 WeakPolarHBondContact CA-O 3.44Å; I254-G321 WeakPolarHBondContact CG1-O 3.21Å; L255-G321 PolarHBondContact N-O 3.08Å; Q319-G321 PolarHBondContact O-N 3.31Å; G321-I323 PolarHBondContact O-N 2.71Å
322	Y	95.6	Very high	97.2	Very high	116 Å²	116	25.9 Å²	25.9	46%	0.455	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	59.4	22.5	-176.4	-50.7	-81.7	0	0	0	114.9	L255 W279 Q319 A320 E324 S325	L255-Y322 HydrophobicContact CB-CD2 4Å; L255-Y322 HydrophobicContact CD2-CD2 4.12Å; L255-Y322 HydrophobicContact CD2-CE2 3.84Å; W279-Y322 AromaticContact CH2-CD2 3.77Å; W279-Y322 HydrophobicContact CH2-CD2 3.77Å; W279-Y322 AromaticContact CH2-CG 3.98Å; W279-Y322 HydrophobicContact CH2-CG 3.98Å; W279-Y322 HydrophobicContact CZ2-CD2 4.21Å; Q319-Y322 PolarHBondContact O-N 3.2Å; A320-Y322 PolarHBondContact O-N 2.72Å; Y322-E324 PolarHBondContact O-N 2.76Å; Y322-S325 VanDerWaalsContact O-CB 3.31Å; Y322-S325 WeakPolarHBondContact O-CB 3.44Å; Y322-S325 PolarHBondContact O-N 2.78Å
323	I	97.3	Very high	97.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-28.2	-176	-174	66	0	0	0	114.1	A252 I254 L282 I284 V314 A320 G321 V327	A252-I323 HydrophobicContact CB-CD1 3.66Å; A252-I323 HydrophobicContact CB-CG1 4.42Å; I254-I323 HydrophobicContact CB-CB 4.49Å; I254-I323 HydrophobicContact CB-CD1 3.79Å; I254-I323 HydrophobicContact CD1-CB 4.41Å; I254-I323 HydrophobicContact CD1-CD1 4.35Å; I254-I323 HydrophobicContact CG1-CB 4.42Å; I254-I323 HydrophobicContact CG1-CD1 4.43Å; I254-I323 HydrophobicContact CG2-CD1 4.38Å; L282-I323 HydrophobicContact CD1-CD1 4.39Å; I284-I323 HydrophobicContact CD1-CD1 4.43Å; I284-I323 HydrophobicContact CD1-CG1 4.26Å; V314-I323 HydrophobicContact CG1-CB 4.3Å; V314-I323 HydrophobicContact CG1-CG1 4.44Å; V314-I323 HydrophobicContact CG1-CG2 4Å; A320-I323 WeakPolarHBondContact O-CB 3.27Å; A320-I323 VanDerWaalsContact O-CG2 3.3Å; A320-I323 WeakPolarHBondContact O-CG2 3.15Å; A320-I323 PolarHBondContact O-N 2.67Å; G321-I323 PolarHBondContact O-N 2.71Å; I323-V327 WeakPolarHBondContact O-CG2 3.38Å
324	E	97.7	Very high	96.8	Very high	6 Å²	6	37.3 Å²	37.3	3%	0.028	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-9.9	-179.8	-71.9	147.2	-171.2	0	0	113	A235 I240 W296 G317 Q319 Y322	A235-E324 WeakPolarHBondContact CA-O 3.41Å; A235-E324 VanDerWaalsContact CB-O 3.3Å; A235-E324 WeakPolarHBondContact CB-O 3.49Å; I240-E324 HydrophobicContact CD1-CB 3.77Å; I240-E324 HydrophobicContact CD1-CG 3.74Å; W296-E324 HydrophobicContact CZ2-CG 4.17Å; W296-E324 PolarHBondContact NE1-OE1 3.02Å; G317-E324 PolarHBondContact N-OE1 2.57Å; Q319-E324 PolarHBondContact N-OE2 3.42Å; Q319-E324 VanDerWaalsContact N-OE2 3.17Å; Y322-E324 PolarHBondContact O-N 2.76Å
325	S	95.1	Very high	96.7	Very high	41 Å²	41	39.2 Å²	39.2	29%	0.287	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-29.2	-173.7	-65	0	0	0	0	113.4	Q319 Y322	Q319-S325 PolarHBondContact OE1-OG 2.72Å; Y322-S325 VanDerWaalsContact O-CB 3.31Å; Y322-S325 WeakPolarHBondContact O-CB 3.44Å; Y322-S325 PolarHBondContact O-N 2.78Å
326	Y	94.4	Very high	96.6	Very high	47 Å²	47	36.3 Å²	36.3	18%	0.184	19%	0.189	C	C	.	.	S	Bend	trans	-132.2	67.3	-172.1	-55.9	-68.6	0	0	0	110.6	L74 A252 S253 W279	L74-Y326 HydrophobicContact CB-CD1 3.68Å; L74-Y326 HydrophobicContact CB-CD2 4.23Å; L74-Y326 HydrophobicContact CB-CE1 3.69Å; L74-Y326 HydrophobicContact CB-CE2 4.24Å; L74-Y326 HydrophobicContact CB-CG 3.96Å; L74-Y326 HydrophobicContact CD1-CD2 3.97Å; L74-Y326 HydrophobicContact CD1-CE2 4.06Å; L74-Y326 HydrophobicContact CD1-CG 4.38Å; A252-Y326 WeakPolarHBondContact CA-O 3.04Å; S253-Y326 PolarHBondContact N-O 2.91Å; S253-Y326 VanDerWaalsContact N-O 3.11Å; W279-Y326 AromaticContact CH2-CD2 3.89Å; W279-Y326 HydrophobicContact CH2-CD2 3.89Å; W279-Y326 AromaticContact CH2-CE2 3.56Å; W279-Y326 HydrophobicContact CH2-CE2 3.56Å; W279-Y326 HydrophobicContact CZ2-CE2 4.32Å; W279-Y326 AromaticContact CZ3-CD2 3.74Å; W279-Y326 HydrophobicContact CZ3-CD2 3.74Å; W279-Y326 AromaticContact CZ3-CE2 3.93Å; W279-Y326 HydrophobicContact CZ3-CE2 3.93Å
327	V	97.1	Very high	96.5	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	129.8	177.8	-177.6	0	0	0	0	110.1	N232 V233 I240 V250 I251 A252 I323	N232-V327 WeakPolarHBondContact CA-O 3.05Å; V233-V327 HydrophobicContact CB-CB 4.2Å; V233-V327 HydrophobicContact CB-CG1 4.05Å; V233-V327 HydrophobicContact CG2-CB 4.46Å; V233-V327 HydrophobicContact CG2-CG1 3.85Å; V233-V327 PolarHBondContact N-O 3.24Å; I240-V327 HydrophobicContact CD1-CB 4.45Å; I240-V327 HydrophobicContact CD1-CG2 3.74Å; I240-V327 HydrophobicContact CG1-CB 4.31Å; I240-V327 HydrophobicContact CG1-CG1 4.34Å; I240-V327 HydrophobicContact CG1-CG2 4.09Å; I240-V327 HydrophobicContact CG2-CG1 4.43Å; V250-V327 HydrophobicContact CB-CG1 3.73Å; V250-V327 HydrophobicContact CG1-CG1 4.27Å; V250-V327 HydrophobicContact CG2-CG1 3.52Å; I251-V327 CarbonylContact O-C 3.55Å; I251-V327 VanDerWaalsContact O-CA 3.3Å; I251-V327 WeakPolarHBondContact O-CA 3.01Å; A252-V327 HydrophobicContact CB-CG2 4.09Å; I323-V327 WeakPolarHBondContact O-CG2 3.38Å
328	R	96.2	Very high	96.5	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.015	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	146.6	177.1	-67.8	-168.8	-168.8	84	-7.9	112.3	L74 I79 E163 L167 Y231 N232 I251	L74-R328 PolarHBondContact O-NH2 3.22Å; I79-R328 HydrophobicContact CD1-CG 4.42Å; E163-R328 VanDerWaalsContact CD-NH1 3.33Å; E163-R328 VanDerWaalsContact CG-NH1 3.31Å; E163-R328 IonicContact OE1-CZ 2.77Å; E163-R328 IonicContact OE1-NH1 3.47Å; E163-R328 PolarHBondContact OE1-NH1 3.14Å; E163-R328 IonicContact OE1-NH2 3.37Å; L167-R328 HydrophobicContact CD1-CB 4.08Å; Y231-R328 WeakPolarHBondContact O-CA 3.41Å; N232-R328 PolarHBondContact OD1-NE 2.96Å; I251-R328 PolarHBondContact N-O 3.31Å; I251-R328 PolarHBondContact O-N 2.87Å
329	A	97.9	Very high	96.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	119.7	-178.2	0	0	0	0	0	109.6	Y231 V233 E243 V250	Y231-A329 HydrophobicContact CD2-CB 3.97Å; Y231-A329 HydrophobicContact CE1-CB 4.26Å; Y231-A329 HydrophobicContact CE2-CB 3.41Å; Y231-A329 VanDerWaalsContact CE2-CB 3.41Å; Y231-A329 PolarHBondContact N-O 2.72Å; Y231-A329 PolarHBondContact O-N 3.18Å; V233-A329 HydrophobicContact CG2-CB 3.99Å; E243-A329 HydrophobicContact CG-CB 4.04Å; E243-A329 VanDerWaalsContact OE1-CB 3.27Å; E243-A329 WeakPolarHBondContact OE1-CB 2.89Å; V250-A329 HydrophobicContact CG1-CB 4.35Å
330	P	98	Very high	96.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	148.7	167.1	21	-14.9	0	0	0	111.9	I128 R131 L167 W170 I251	I128-P330 HydrophobicContact CG1-CB 3.88Å; I128-P330 HydrophobicContact CG1-CG 3.77Å; R131-P330 WeakPolarHBondContact CD-O 3.27Å; R131-P330 PolarHBondContact NH1-O 3.1Å; L167-P330 HydrophobicContact CD2-CB 3.77Å; L167-P330 HydrophobicContact CD2-CG 4.11Å; W170-P330 HydrophobicContact CE3-CB 4.26Å; W170-P330 HydrophobicContact CH2-CB 3.8Å; W170-P330 HydrophobicContact CZ3-CB 3.37Å; I251-P330 HydrophobicContact CD1-CG 4.23Å
331	I	98.4	Very high	96.6	Very high	20 Å²	20	37 Å²	37	10%	0.103	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	117.4	169.3	-51.9	-64.9	0	0	0	108.1	Y135 W170 E228 K229 Y231	Y135-I331 HydrophobicContact CE1-CG2 3.95Å; Y135-I331 HydrophobicContact CE2-CD1 4.49Å; Y135-I331 WeakPolarHBondContact OH-CD1 3.39Å; W170-I331 VanDerWaalsContact CH2-O 3.3Å; W170-I331 WeakPolarHBondContact CH2-O 3.38Å; E228-I331 PolarHBondContact N-O 3.06Å; K229-I331 HydrophobicContact CB-CB 4.1Å; K229-I331 HydrophobicContact CB-CG1 4.15Å; K229-I331 PolarHBondContact N-O 3.4Å; K229-I331 PolarHBondContact O-N 2.04Å; Y231-I331 HydrophobicContact CD1-CG1 4.46Å; Y231-I331 HydrophobicContact CE1-CD1 3.82Å; Y231-I331 HydrophobicContact CE1-CG1 3.61Å
332	P	98.4	Very high	96.7	Very high	2 Å²	2	39 Å²	39	1%	0.013	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	150.2	-177.2	32.3	-35.9	0	0	0	111.7	R131 I132 Y135 W170 I334	R131-P332 HydrophobicContact CB-CG 4.34Å; I132-P332 HydrophobicContact CG1-CB 3.69Å; I132-P332 HydrophobicContact CG1-CG 4.35Å; Y135-P332 HydrophobicContact CD2-CG 3.97Å; Y135-P332 HydrophobicContact CG-CG 3.88Å; W170-P332 VanDerWaalsContact CH2-CA 3.47Å; W170-P332 HydrophobicContact CH2-CB 4.07Å; W170-P332 HydrophobicContact CZ2-CB 3.87Å; P332-I334 HydrophobicContact CB-CD1 3.89Å; P332-I334 HydrophobicContact CB-CG1 4.42Å; P332-I334 HydrophobicContact CG-CD1 3.8Å; P332-I334 HydrophobicContact CG-CG1 4.09Å
333	K	97.6	Very high	96.7	Very high	145 Å²	145	32.6 Å²	32.6	63%	0.63	16%	0.159	S	C	*	.			trans	-81.3	114.4	162.8	-171.6	-179.8	-178.4	-177.6	0	107.7	Y226 E228	Y226-K333 WeakPolarHBondContact O-CB 3.37Å; Y226-K333 PolarHBondContact O-N 3.23Å; E228-K333 HydrophobicContact CB-CB 4.45Å
334	I	92.8	Very high	96.7	Very high	125 Å²	125	35.5 Å²	35.5	64%	0.641	17%	0.173	S	C	*	.			trans	-101.3	0	-178.6	-60.3	-56.9	0	0	0	111.5	I132 P332	I132-I334 HydrophobicContact CG2-CD1 4.23Å; P332-I334 HydrophobicContact CB-CD1 3.89Å; P332-I334 HydrophobicContact CB-CG1 4.42Å; P332-I334 HydrophobicContact CG-CD1 3.8Å; P332-I334 HydrophobicContact CG-CG1 4.09Å

Retrieved 334 of 334 residues in 83.4 ms (Link to these results)

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