A0A077Z5Q5_TRITR Loading...

Poly-cysteine and histidine tailed protein isofor m 2

AlphaFold DB , UniProt , Accession A0A077Z5Q5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 441 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.9	Very low	28.8	Very low	240 Å²	240	129.5 Å²	129.5	100%	1.182	84%	0.84	S	S	*	*				0	128.6	0	-76.9	-179.2	175.6	0	0	106.3
2	V	35.5	Very low	28.7	Very low	145 Å²	145	133.8 Å²	133.8	88%	0.879	84%	0.84	S	S	*	*			trans	73.8	89.8	179.5	-154.9	0	0	0	0	114.8
3	D	32	Very low	28.5	Very low	155 Å²	155	128.8 Å²	128.8	83%	0.829	81%	0.808	S	S	*	*			trans	-68.2	132.8	145.6	-103.8	-68.2	0	0	0	108.5
4	D	30.4	Very low	28.4	Very low	161 Å²	161	124.5 Å²	124.5	86%	0.861	78%	0.78	S	S	*	*			trans	178	131.6	137.1	-106	-37	0	0	0	110.9
5	G	26.4	Very low	28.4	Very low	81 Å²	81	117.9 Å²	117.9	84%	0.835	74%	0.739	S	S	*	*			trans	86.5	117.4	141.1	0	0	0	0	0	119.7
6	G	23.7	Very low	28.3	Very low	82 Å²	82	112.4 Å²	112.4	85%	0.845	70%	0.701	S	S	*	*			trans	120.8	130.3	132.2	0	0	0	0	0	117.8
7	G	23.9	Very low	28.3	Very low	71 Å²	71	105.8 Å²	105.8	73%	0.732	66%	0.66	S	S	*	*			trans	84.8	143	163.7	0	0	0	0	0	113.6
8	T	25.4	Very low	28.3	Very low	132 Å²	132	100.9 Å²	100.9	81%	0.81	63%	0.627	S	S	*	*			cis	-170.3	129	32.6	27	0	0	0	0	107.5
9	S	26	Very low	28.3	Very low	107 Å²	107	96.1 Å²	96.1	75%	0.748	60%	0.597	S	S	*	*				60.1	120	107.3	81.8	0	0	0	0	118.1
10	S	30.5	Very low	28.4	Very low	105 Å²	105	92 Å²	92	73%	0.734	57%	0.571	S	S	*	*			trans	160.1	94.9	140.7	38.9	0	0	0	0	106.8
11	D	25.5	Very low	28.2	Very low	146 Å²	146	91.5 Å²	91.5	78%	0.781	57%	0.567	S	S	*	*				37.1	79.5	70.6	-97.4	-10.6	0	0	0	112.2
12	E	27.3	Very low	27.7	Very low	180 Å²	180	85.5 Å²	85.5	84%	0.841	54%	0.54	S	S	*	.			trans	-136.9	106.7	157.9	-84.4	-162.5	116.8	0	0	110.1
13	T	26	Very low	27.3	Very low	70 Å²	70	86.5 Å²	86.5	43%	0.429	53%	0.528	S	S	.	.			trans	-110.2	100.8	-165.1	-30.7	0	0	0	0	109.5	H405	T13-H405 VanDerWaalsContact CB-ND1 3.28Å; T13-H405 WeakPolarHBondContact CB-ND1 3.14Å; T13-H405 WeakPolarHBondContact CG2-CE1 3.24Å; T13-H405 WeakPolarHBondContact CG2-ND1 3.34Å
14	V	26.8	Very low	27.2	Very low	68 Å²	68	85 Å²	85	41%	0.412	53%	0.525	S	S	.	.			trans	-143.9	142.8	-171.2	-174.9	0	0	0	0	113.6	N124 H402	V14-N124 PolarHBondContact O-ND2 2.78Å; V14-H402 HydrophobicContact CB-CB 3.87Å; V14-H402 HydrophobicContact CG1-CB 3.67Å; V14-H402 HydrophobicContact CG2-CB 3.79Å
15	P	29.5	Very low	27.2	Very low	26 Å²	26	82.3 Å²	82.3	17%	0.169	51%	0.51	C	S	.	.			trans	-77.4	155.8	-148.1	3.6	4.5	0	0	0	119.8	R400 V401 H402	P15-R400 HydrophobicContact CB-CB 4.4Å; P15-R400 HydrophobicContact CG-CB 3.57Å; P15-V401 HydrophobicContact CB-CB 3.35Å; P15-V401 HydrophobicContact CB-CG1 4.46Å; P15-V401 HydrophobicContact CB-CG2 3.56Å; P15-V401 HydrophobicContact CG-CB 3.84Å; P15-V401 HydrophobicContact CG-CG2 4.5Å; P15-V401 VanDerWaalsContact CG-N 3.28Å; P15-H402 WeakPolarHBondContact CD-ND1 3.3Å; P15-H402 HydrophobicContact CG-CB 4.37Å; P15-H402 WeakPolarHBondContact CG-ND1 3.24Å
16	F	26.2	Very low	27.4	Very low	29 Å²	29	86.2 Å²	86.2	13%	0.127	51%	0.512	C	S	.	.			trans	-124.9	162.4	-177	-70.2	-99.8	0	0	0	113.6	M88 R121 N124 P130 L131 Y181	F16-M88 HydrophobicContact CB-CE 3.77Å; F16-M88 HydrophobicContact CB-SD 3.64Å; F16-M88 HydrophobicContact CD2-CE 3.92Å; F16-M88 HydrophobicContact CD2-SD 4.14Å; F16-M88 HydrophobicContact CG-CE 4.21Å; F16-M88 HydrophobicContact CG-SD 4.02Å; F16-R121 VanDerWaalsContact CE2-NH2 3.34Å; F16-N124 WeakPolarHBondContact CE1-OD1 3.49Å; F16-N124 VanDerWaalsContact CZ-OD1 3.27Å; F16-N124 WeakPolarHBondContact CZ-OD1 3.46Å; F16-P130 HydrophobicContact CB-CG 3.95Å; F16-P130 HydrophobicContact CD1-CB 3.32Å; F16-P130 HydrophobicContact CD1-CG 3.19Å; F16-P130 HydrophobicContact CE1-CB 3.49Å; F16-P130 VanDerWaalsContact CE1-CB 3.49Å; F16-P130 HydrophobicContact CE1-CG 3.83Å; F16-P130 HydrophobicContact CG-CB 4.31Å; F16-P130 HydrophobicContact CG-CG 3.71Å; F16-L131 HydrophobicContact CB-CD1 3.61Å; F16-L131 HydrophobicContact CB-CD2 3.64Å; F16-L131 HydrophobicContact CB-CG 3.55Å; F16-L131 HydrophobicContact CD1-CD2 3.19Å; F16-L131 HydrophobicContact CD1-CG 3.81Å; F16-L131 HydrophobicContact CE1-CD2 4.06Å; F16-L131 HydrophobicContact CG-CD2 3.69Å; F16-L131 HydrophobicContact CG-CG 4.12Å; F16-Y181 PolarHBondContact O-OH 2.04Å
17	A	28.4	Very low	27.6	Very low	0 Å²	0	89.4 Å²	89.4	0%	0	51%	0.51	C	S	.	.			trans	170.4	78.5	162.4	0	0	0	0	0	123	Y129 G180 Y181	A17-Y129 WeakPolarHBondContact CA-OH 3.49Å; A17-Y129 HydrophobicContact CB-CE1 4.27Å; A17-Y129 WeakPolarHBondContact CB-OH 3.46Å; A17-Y129 PolarHBondContact N-OH 3.07Å; A17-Y129 WeakPolarHBondContact O-CE1 3.42Å; A17-Y129 PolarHBondContact O-OH 3.33Å; A17-G180 CarbonylContact O-C 3.52Å; A17-G180 WeakPolarHBondContact O-CA 3.02Å; A17-Y181 HydrophobicContact CB-CD1 3.21Å; A17-Y181 HydrophobicContact CB-CD2 3.47Å; A17-Y181 VanDerWaalsContact CB-CD2 3.47Å; A17-Y181 HydrophobicContact CB-CE1 3Å; A17-Y181 HydrophobicContact CB-CE2 3.27Å; A17-Y181 HydrophobicContact CB-CG 3.45Å; A17-Y181 VanDerWaalsContact CB-CG 3.45Å; A17-Y181 PolarHBondContact O-N 2.63Å
18	W	27.9	Very low	27.6	Very low	18 Å²	18	94.9 Å²	94.9	7%	0.068	52%	0.516	C	S	.	.			trans	43.5	129.8	148.3	-0.4	63	0	0	0	128.7	I82 C86 F117 C119 L131 G180 M184	W18-I82 HydrophobicContact CH2-CG2 3.55Å; W18-I82 VanDerWaalsContact CH2-O 3.27Å; W18-I82 WeakPolarHBondContact CH2-O 3.39Å; W18-I82 HydrophobicContact CZ2-CG2 3.32Å; W18-C86 VanDerWaalsContact CE3-SG 3.5Å; W18-C86 HydrophobicContact CH2-CB 3.74Å; W18-C86 WeakPolarHBondContact CH2-SG 3.33Å; W18-C86 HydrophobicContact CZ2-CB 4.2Å; W18-C86 VanDerWaalsContact CZ2-SG 3.5Å; W18-C86 HydrophobicContact CZ3-CB 4.22Å; W18-C86 WeakPolarHBondContact CZ3-SG 3.36Å; W18-F117 HydrophobicContact CD2-CZ 4.31Å; W18-F117 HydrophobicContact CE3-CE1 4.02Å; W18-F117 AromaticContact CE3-CZ 3.47Å; W18-F117 HydrophobicContact CE3-CZ 3.47Å; W18-F117 VanDerWaalsContact CE3-CZ 3.47Å; W18-F117 HydrophobicContact CH2-CD1 4.43Å; W18-F117 AromaticContact CH2-CE1 3.3Å; W18-F117 HydrophobicContact CH2-CE1 3.3Å; W18-F117 AromaticContact CH2-CZ 3.56Å; W18-F117 HydrophobicContact CH2-CZ 3.56Å; W18-F117 HydrophobicContact CZ2-CE1 4.47Å; W18-F117 HydrophobicContact CZ3-CD1 4.4Å; W18-F117 AromaticContact CZ3-CE1 3.05Å; W18-F117 HydrophobicContact CZ3-CE1 3.05Å; W18-F117 HydrophobicContact CZ3-CE2 4.28Å; W18-F117 AromaticContact CZ3-CZ 2.98Å; W18-F117 HydrophobicContact CZ3-CZ 2.98Å; W18-C119 HydrophobicContact CE3-CB 4.43Å; W18-C119 HydrophobicContact CH2-CB 4.19Å; W18-C119 HydrophobicContact CZ3-CB 3.54Å; W18-C119 VanDerWaalsContact CZ3-SG 3.54Å; W18-L131 WeakPolarHBondContact CA-O 3.01Å; W18-L131 HydrophobicContact CB-CB 4.2Å; W18-L131 HydrophobicContact CD2-CB 3.9Å; W18-L131 HydrophobicContact CD2-CD1 3.47Å; W18-L131 VanDerWaalsContact CD2-CD1 3.47Å; W18-L131 HydrophobicContact CD2-CG 4.31Å; W18-L131 HydrophobicContact CE3-CB 3.86Å; W18-L131 HydrophobicContact CE3-CD1 4Å; W18-L131 HydrophobicContact CG-CB 4.07Å; W18-L131 HydrophobicContact CG-CD1 3.85Å; W18-L131 HydrophobicContact CH2-CD1 4.42Å; W18-L131 HydrophobicContact CZ2-CD1 3.83Å; W18-L131 HydrophobicContact CZ3-CD1 4.45Å; W18-L131 PolarHBondContact N-O 2.75Å; W18-G180 CarbonylContact C-O 3.58Å; W18-G180 CarbonylContact O-C 3.39Å; W18-M184 HydrophobicContact CB-CB 4.41Å; W18-M184 HydrophobicContact CB-CE 4.13Å; W18-M184 HydrophobicContact CB-CG 3.16Å; W18-M184 HydrophobicContact CB-SD 3.16Å; W18-M184 WeakPolarHBondContact CB-SD 3.46Å; W18-M184 VanDerWaalsContact CD1-SD 3.53Å; W18-M184 HydrophobicContact CD2-CE 3.13Å; W18-M184 HydrophobicContact CD2-CG 3.83Å; W18-M184 HydrophobicContact CD2-SD 3.43Å; W18-M184 HydrophobicContact CE3-CE 3.58Å; W18-M184 HydrophobicContact CE3-SD 3.88Å; W18-M184 HydrophobicContact CG-CB 4.37Å; W18-M184 HydrophobicContact CG-CE 3.4Å; W18-M184 VanDerWaalsContact CG-CE 3.4Å; W18-M184 HydrophobicContact CG-CG 2.95Å; W18-M184 HydrophobicContact CG-SD 3.09Å; W18-M184 HydrophobicContact CH2-CE 3.89Å; W18-M184 HydrophobicContact CZ2-CE 3.64Å; W18-M184 HydrophobicContact CZ3-CE 3.88Å; W18-M184 PolarHBondContact O-N 3.49Å; W18-M184 VanDerWaalsContact O-N 3.16Å
19	P	27.8	Very low	27.5	Very low	9 Å²	9	100.2 Å²	100.2	6%	0.058	52%	0.522	C	S	.	.			trans	-106.4	165.1	145.6	39	-28	0	0	0	112	D53 L131 D132 G133 K183	P19-D53 WeakPolarHBondContact CG-OD2 3.35Å; P19-L131 WeakPolarHBondContact CD-O 3.34Å; P19-D132 HydrophobicContact CG-CB 4.37Å; P19-D132 WeakPolarHBondContact CG-OD1 3.45Å; P19-D132 CarbonylContact O-C 3.33Å; P19-D132 WeakPolarHBondContact O-CA 3.01Å; P19-G133 PolarHBondContact O-N 2.97Å; P19-K183 VanDerWaalsContact C-CE 3.44Å; P19-K183 VanDerWaalsContact CA-CB 3.47Å; P19-K183 HydrophobicContact CB-CB 3.6Å; P19-K183 HydrophobicContact CB-CD 3.05Å; P19-K183 VanDerWaalsContact CB-CE 3.42Å; P19-K183 HydrophobicContact CB-CG 3.49Å; P19-K183 VanDerWaalsContact CB-CG 3.49Å; P19-K183 HydrophobicContact CG-CD 4.39Å
20	I	30.8	Very low	27.5	Very low	15 Å²	15	100.2 Å²	100.2	8%	0.077	52%	0.522	C	S	.	.	B	Isolated β-bridge	trans	-136.6	133.6	-176.2	-80.1	147.9	0	0	0	115.2	F117 G133 V135 K183 M184 S187	I20-F117 HydrophobicContact CD1-CE2 3.89Å; I20-G133 WeakPolarHBondContact CA-O 3.42Å; I20-G133 VanDerWaalsContact CG1-CA 3.43Å; I20-G133 WeakPolarHBondContact CG1-O 2.99Å; I20-V135 HydrophobicContact CD1-CG2 4.06Å; I20-K183 VanDerWaalsContact C-CE 3.42Å; I20-K183 VanDerWaalsContact N-CD 3.29Å; I20-K183 WeakPolarHBondContact O-CE 3Å; I20-M184 HydrophobicContact CD1-SD 3.43Å; I20-M184 WeakPolarHBondContact CD1-SD 3.29Å; I20-M184 HydrophobicContact CG1-SD 4.45Å; I20-S187 WeakPolarHBondContact CD1-OG 3.44Å
21	V	25.3	Very low	27.4	Very low	81 Å²	81	100.9 Å²	100.9	49%	0.491	52%	0.524	S	S	.	.			trans	-91.1	126.7	166.4	-178.1	0	0	0	0	108.7	E134	V21-E134 WeakPolarHBondContact O-CG 3.25Å
22	N	26.5	Very low	27.7	Very low	115 Å²	115	99.1 Å²	99.1	62%	0.615	52%	0.523	S	S	*	.			trans	-83.9	128.2	169.1	-86.7	3.8	0	0	0	109
23	R	26.9	Very low	27.9	Very low	165 Å²	165	96.8 Å²	96.8	62%	0.623	52%	0.521	S	S	*	.			trans	-101.5	109.9	165.1	-167.2	176.3	177.5	171.5	-2.1	108.3	D25	R23-D25 IonicContact CZ-OD1 3.05Å; R23-D25 IonicContact CZ-OD2 2.93Å; R23-D25 VanDerWaalsContact NE-CG 3.35Å; R23-D25 IonicContact NE-OD1 3.6Å; R23-D25 PolarHBondContact NE-OD1 3.07Å; R23-D25 IonicContact NE-OD2 2.73Å; R23-D25 PolarHBondContact NE-OD2 3.13Å; R23-D25 VanDerWaalsContact NE-OD2 3.13Å; R23-D25 IonicContact NH2-OD1 2.85Å; R23-D25 PolarHBondContact NH2-OD1 3.24Å; R23-D25 IonicContact NH2-OD2 3.49Å
24	T	30.9	Very low	28.4	Very low	125 Å²	125	98.6 Å²	98.6	77%	0.767	53%	0.534	S	S	*	.			trans	-92.4	96.8	163.2	48.2	0	0	0	0	107.2	N26	T24-N26 PolarHBondContact O-N 3.25Å
25	D	29.8	Very low	28.8	Very low	103 Å²	103	102.4 Å²	102.4	55%	0.551	56%	0.558	S	S	*	*			trans	-78	111.4	165.9	-75.4	-30.5	0	0	0	107.6	R23	R23-D25 IonicContact CZ-OD1 3.05Å; R23-D25 IonicContact CZ-OD2 2.93Å; R23-D25 VanDerWaalsContact NE-CG 3.35Å; R23-D25 IonicContact NE-OD1 3.6Å; R23-D25 PolarHBondContact NE-OD1 3.07Å; R23-D25 IonicContact NE-OD2 2.73Å; R23-D25 PolarHBondContact NE-OD2 3.13Å; R23-D25 VanDerWaalsContact NE-OD2 3.13Å; R23-D25 IonicContact NH2-OD1 2.85Å; R23-D25 PolarHBondContact NH2-OD1 3.24Å; R23-D25 IonicContact NH2-OD2 3.49Å
26	N	30.7	Very low	29	Very low	164 Å²	164	109.8 Å²	109.8	88%	0.877	59%	0.59	S	S	*	*			trans	-123.1	80.6	163.6	-125.9	10.3	0	0	0	106.1	T24	T24-N26 PolarHBondContact O-N 3.25Å
27	D	26.7	Very low	29.5	Very low	148 Å²	148	114.6 Å²	114.6	79%	0.791	62%	0.624	S	S	*	*			trans	-81.3	116.9	164.2	-88.3	-36.2	0	0	0	108.5
28	Q	24.9	Very low	29.8	Very low	186 Å²	186	118.6 Å²	118.6	87%	0.869	66%	0.657	S	S	*	*			trans	139.8	100.3	147.7	-79.5	173.2	9.9	0	0	112.2
29	W	23.7	Very low	30	Very low	244 Å²	244	123.7 Å²	123.7	92%	0.924	69%	0.692	S	S	*	*			trans	-140.4	121	148.7	-129.9	61.8	0	0	0	109.5
30	S	26.2	Very low	30.3	Very low	107 Å²	107	131.2 Å²	131.2	75%	0.748	73%	0.731	S	S	*	*			trans	-86	158.8	172.6	-70.5	0	0	0	0	111
31	P	27.8	Very low	30.4	Very low	120 Å²	120	136 Å²	136	78%	0.779	76%	0.764	S	S	*	*			trans	-98.3	153.3	-149.6	36.9	-32.9	0	0	0	114.3
32	S	32.5	Very low	30.4	Very low	109 Å²	109	139.5 Å²	139.5	76%	0.762	78%	0.779	S	S	*	*			trans	-144.3	107.3	156.5	51.6	0	0	0	0	110.4
33	T	30.8	Very low	30.6	Very low	130 Å²	130	141.1 Å²	141.1	80%	0.798	79%	0.786	S	S	*	*			trans	-89.5	175.4	169.5	18.4	0	0	0	0	110.9
34	P	37	Very low	30.5	Very low	108 Å²	108	137.7 Å²	137.7	70%	0.701	79%	0.787	S	S	*	*			cis	-138.2	160.7	-36.1	34.7	-17.7	0	0	0	113.4
35	T	35.4	Very low	30.4	Very low	149 Å²	149	137.7 Å²	137.7	91%	0.914	78%	0.781	S	S	*	*			trans	-163.1	117.8	143.4	-4.7	0	0	0	0	111.6
36	Q	33.1	Very low	30.3	Very low	181 Å²	181	138.4 Å²	138.4	85%	0.846	79%	0.791	S	S	*	*			trans	-89.5	157.4	169.6	-102.2	-171.4	-22.2	0	0	110.2
37	P	35.9	Very low	30.3	Very low	130 Å²	130	136.8 Å²	136.8	84%	0.844	78%	0.78	S	S	*	*				-146.6	171.5	77.7	37.6	-17.8	0	0	0	112.9
38	A	34.3	Very low	30.3	Very low	83 Å²	83	133.1 Å²	133.1	69%	0.686	78%	0.777	S	S	*	*			cis	-155	164.3	1.9	0	0	0	0	0	106.7
39	P	32.7	Very low	30.6	Very low	126 Å²	126	133.4 Å²	133.4	82%	0.818	77%	0.771	S	S	*	*			trans	-87.1	139.9	-165.6	34.2	-31	0	0	0	112.9
40	L	34.5	Very low	30.8	Very low	166 Å²	166	126 Å²	126	87%	0.869	76%	0.762	S	S	*	*			trans	-110.2	147.6	161.9	-77.9	176.4	0	0	0	109.6
41	P	32.2	Very low	31.2	Very low	117 Å²	117	126.2 Å²	126.2	76%	0.76	75%	0.754	S	S	*	*			trans	-69.2	137.2	-161.4	27.6	-33.3	0	0	0	112.2	I43	P41-I43 PolarHBondContact O-N 3.23Å
42	L	25.7	Very low	31.3	Very low	154 Å²	154	123.8 Å²	123.8	81%	0.806	75%	0.745	S	S	*	*			trans	-47.4	112.6	169.5	-71.3	147.1	0	0	0	111.4
43	I	30.3	Very low	31.8	Very low	149 Å²	149	120.4 Å²	120.4	76%	0.764	72%	0.718	S	S	*	*			trans	-115.5	85.2	146.9	-61.8	-179.8	0	0	0	106.2	P41 I45	P41-I43 PolarHBondContact O-N 3.23Å; I43-I45 HydrophobicContact CG2-CD1 4.27Å; I43-I45 HydrophobicContact CG2-CG1 3.98Å; I43-I45 PolarHBondContact O-N 3.43Å
44	S	25.9	Very low	32.4	Very low	92 Å²	92	122.1 Å²	122.1	64%	0.643	72%	0.716	S	S	*	*			trans	-69.5	105	167.6	-59.9	0	0	0	0	108.5	P46	S44-P46 WeakPolarHBondContact O-CD 3.4Å
45	I	27.6	Very low	33.3	Very low	126 Å²	126	121.6 Å²	121.6	65%	0.646	70%	0.704	S	S	*	*			trans	-108.9	94.5	158.8	-54.7	178.6	0	0	0	106.8	I43 M47	I43-I45 HydrophobicContact CG2-CD1 4.27Å; I43-I45 HydrophobicContact CG2-CG1 3.98Å; I43-I45 PolarHBondContact O-N 3.43Å; I45-M47 HydrophobicContact CG2-CB 4.45Å; I45-M47 HydrophobicContact CG2-CG 3.93Å; I45-M47 PolarHBondContact O-N 3.32Å; I45-M47 VanDerWaalsContact O-N 3.15Å
46	P	28.3	Very low	34.6	Very low	118 Å²	118	122.4 Å²	122.4	77%	0.766	70%	0.703	S	S	*	*			trans	-80.9	91.4	167.3	33	-26.1	0	0	0	106.6	S44 G48	S44-P46 WeakPolarHBondContact O-CD 3.4Å; P46-G48 VanDerWaalsContact C-N 3.33Å
47	M	30.3	Very low	37.1	Very low	130 Å²	130	119.3 Å²	119.3	64%	0.64	69%	0.689	S	S	*	*			trans	-106.1	58.8	159.1	-73.2	-164	-175.3	0	0	109.1	I45 Y49	I45-M47 HydrophobicContact CG2-CB 4.45Å; I45-M47 HydrophobicContact CG2-CG 3.93Å; I45-M47 PolarHBondContact O-N 3.32Å; I45-M47 VanDerWaalsContact O-N 3.15Å; M47-Y49 VanDerWaalsContact C-N 3.28Å; M47-Y49 HydrophobicContact CB-CD2 4.46Å; M47-Y49 HydrophobicContact CB-CE2 4.07Å; M47-Y49 PolarHBondContact O-N 3.22Å
48	G	26.6	Very low	39.6	Very low	71 Å²	71	114.2 Å²	114.2	73%	0.732	66%	0.655	S	S	*	*			trans	-65.6	96.2	151.8	0	0	0	0	0	107.1	P46 A50	P46-G48 VanDerWaalsContact C-N 3.33Å; G48-A50 PolarHBondContact O-N 3.31Å
49	Y	31.5	Very low	42.3	Very low	191 Å²	191	112.2 Å²	112.2	75%	0.749	64%	0.636	S	S	*	*			trans	-66.3	82.5	167.8	-71	-82.2	0	0	0	108.7	M47 L51	M47-Y49 VanDerWaalsContact C-N 3.28Å; M47-Y49 HydrophobicContact CB-CD2 4.46Å; M47-Y49 HydrophobicContact CB-CE2 4.07Å; M47-Y49 PolarHBondContact O-N 3.22Å; Y49-L51 PolarHBondContact O-N 2.77Å; Y49-L51 VanDerWaalsContact O-N 3.17Å
50	A	27.6	Very low	45.1	Very low	88 Å²	88	110.3 Å²	110.3	73%	0.727	63%	0.631	S	S	*	*			trans	-58.1	109.7	143.9	0	0	0	0	0	105.5	G48 A52	G48-A50 PolarHBondContact O-N 3.31Å; A50-A52 VanDerWaalsContact C-N 3.29Å; A50-A52 PolarHBondContact O-N 3.03Å
51	L	35.7	Very low	47.9	Very low	113 Å²	113	104.4 Å²	104.4	59%	0.592	60%	0.597	S	S	*	*			trans	-57.1	104.9	162.8	-81.9	162	0	0	0	106.4	Y49 D53	Y49-L51 PolarHBondContact O-N 2.77Å; Y49-L51 VanDerWaalsContact O-N 3.17Å; L51-D53 PolarHBondContact O-N 2.03Å
52	A	30.2	Very low	50.8	Low	69 Å²	69	104.3 Å²	104.3	57%	0.57	58%	0.584	S	S	*	*			trans	-15	108.2	174.3	0	0	0	0	0	114.4	A50	A50-A52 VanDerWaalsContact C-N 3.29Å; A50-A52 PolarHBondContact O-N 3.03Å
53	D	43.1	Very low	54	Low	37 Å²	37	104.1 Å²	104.1	20%	0.198	58%	0.584	C	S	.	*			trans	-132.7	15	167.1	-128.8	-17.8	0	0	0	113.3	P19 L51 R122 K183	P19-D53 WeakPolarHBondContact CG-OD2 3.35Å; L51-D53 PolarHBondContact O-N 2.03Å; D53-R122 IonicContact OD1-CZ 3.5Å; D53-R122 IonicContact OD1-NH1 3.57Å; D53-R122 PolarHBondContact OD1-NH1 2.9Å; D53-R122 IonicContact OD1-NH2 3.6Å; D53-R122 PolarHBondContact OD1-NH2 2.7Å; D53-K183 IonicContact OD2-NZ 3.33Å
54	H	43.2	Very low	57.2	Low	167 Å²	167	100.7 Å²	100.7	77%	0.773	56%	0.561	S	S	*	*			trans	-119.4	74.5	157.1	-88.9	-71.8	0	0	0	107.6
55	H	56.2	Low	60.6	Low	96 Å²	96	101.4 Å²	101.4	44%	0.444	55%	0.55	S	S	.	*			trans	-74.6	119.4	148.7	-81.8	-62.6	0	0	0	105.9	H57 C58	H55-H57 WeakPolarHBondContact CB-CE1 3.48Å; H55-H57 AromaticContact CG-CE1 3.49Å; H55-H57 VanDerWaalsContact CG-CE1 3.49Å; H55-H57 AromaticContact ND1-CE1 3.84Å; H55-H57 PolarHBondContact O-N 3.11Å; H55-C58 PolarHBondContact O-N 2.82Å
56	D	61.1	Low	63.9	Low	166 Å²	166	100.8 Å²	100.8	89%	0.888	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.7	-15.2	-177.6	-68	-32.8	0	0	0	113.8
57	H	85.3	Confident	67.3	Low	117 Å²	117	99.6 Å²	99.6	54%	0.542	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-11.1	175.4	69.3	-102.1	0	0	0	114.8	H55 C128	H55-H57 WeakPolarHBondContact CB-CE1 3.48Å; H55-H57 AromaticContact CG-CE1 3.49Å; H55-H57 VanDerWaalsContact CG-CE1 3.49Å; H55-H57 AromaticContact ND1-CE1 3.84Å; H55-H57 PolarHBondContact O-N 3.11Å; H57-C128 VanDerWaalsContact CD2-SG 3.5Å
58	C	89.4	Confident	70.5	Confident	22 Å²	22	94.6 Å²	94.6	15%	0.149	51%	0.512	C	S	.	.	S	Bend	trans	-83.1	138.7	-177.7	-69.8	0	0	0	0	111.8	H55 R122 C128	H55-C58 PolarHBondContact O-N 2.82Å; C58-R122 VanDerWaalsContact CB-NH1 3.26Å; C58-C128 WeakPolarHBondContact CA-SG 3.42Å; C58-C128 HydrophobicContact CB-CB 3.81Å; C58-C128 WeakPolarHBondContact CB-SG 3.31Å; C58-C128 VanDerWaalsContact SG-CA 3.6Å; C58-C128 WeakPolarHBondContact SG-CB 3.34Å; C58-C128 CovalentContact SG-SG 2.04Å; C58-C128 PolarHBondContact SG-SG 3.24Å
59	P	91.4	Very high	73.9	Confident	42 Å²	42	97.2 Å²	97.2	27%	0.273	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-55.1	145.1	173.9	-24.7	33.9	0	0	0	111.6	R122 D123 A125	P59-R122 HydrophobicContact CB-CB 4.41Å; P59-R122 WeakPolarHBondContact O-CD 3.43Å; P59-D123 HydrophobicContact CB-CB 4.38Å; P59-D123 HydrophobicContact CG-CB 4.37Å; P59-A125 HydrophobicContact CG-CB 4Å
60	A	91.3	Very high	77	Confident	86 Å²	86	89.7 Å²	89.7	71%	0.711	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-59.8	149.5	175.5	0	0	0	0	0	111.1	R122	A60-R122 WeakPolarHBondContact O-CB 3.37Å
61	W	93.1	Very high	80.4	Confident	41 Å²	41	85.5 Å²	85.5	16%	0.155	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-69	136.5	171.8	-64.4	106.9	0	0	0	110.6	R120 R122 Y129 L131 D132	W61-R120 HydrophobicContact CB-CG 4.43Å; W61-R120 HydrophobicContact CD2-CG 4.31Å; W61-R120 HydrophobicContact CE3-CG 4Å; W61-R122 HydrophobicContact CD2-CB 4.29Å; W61-R122 HydrophobicContact CD2-CG 4.4Å; W61-R122 HydrophobicContact CE3-CB 3.74Å; W61-R122 HydrophobicContact CE3-CG 3.82Å; W61-R122 HydrophobicContact CH2-CG 3.97Å; W61-R122 VanDerWaalsContact CZ2-CZ 3.47Å; W61-R122 HydrophobicContact CZ3-CB 4.01Å; W61-R122 HydrophobicContact CZ3-CG 3.58Å; W61-Y129 WeakPolarHBondContact CH2-O 3.48Å; W61-L131 VanDerWaalsContact CH2-C 3.42Å; W61-L131 VanDerWaalsContact CH2-O 3.25Å; W61-L131 WeakPolarHBondContact CH2-O 3.42Å; W61-D132 HydrophobicContact CD2-CB 4.43Å; W61-D132 HydrophobicContact CE3-CB 4.23Å; W61-D132 HydrophobicContact CH2-CB 3.67Å; W61-D132 HydrophobicContact CZ2-CB 3.89Å; W61-D132 HydrophobicContact CZ3-CB 3.86Å
62	K	93.8	Very high	83.3	Confident	116 Å²	116	81.5 Å²	81.5	50%	0.504	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-70.5	167.9	163.5	-59.2	174.2	-175.4	173	0	109.4	R120 R121 D123	K62-R120 WeakPolarHBondContact O-CB 3.29Å; K62-R121 WeakPolarHBondContact CB-O 3.38Å; K62-R121 VanDerWaalsContact CG-O 3.24Å; K62-R121 WeakPolarHBondContact CG-O 3.48Å; K62-R121 PolarHBondContact N-O 2.59Å; K62-D123 WeakPolarHBondContact CE-OD1 3.47Å; K62-D123 IonicContact NZ-OD1 2.89Å; K62-D123 PolarHBondContact NZ-OD1 3.13Å
63	D	93.3	Very high	86.4	Confident	149 Å²	149	81.7 Å²	81.7	80%	0.797	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-59.9	156.4	179.3	-68.9	-33.9	0	0	0	112.9	R65	D63-R65 PolarHBondContact O-N 3.43Å
64	W	96.9	Very high	88.9	Confident	77 Å²	77	82.6 Å²	82.6	29%	0.292	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-63.4	129	172.9	-69.8	104.8	0	0	0	111	R118 R120 D132 G133 E134	W64-R118 HydrophobicContact CD2-CG 4.4Å; W64-R118 HydrophobicContact CE3-CB 4.41Å; W64-R118 HydrophobicContact CE3-CG 3.71Å; W64-R118 HydrophobicContact CZ3-CG 4.09Å; W64-R120 HydrophobicContact CD2-CB 4.06Å; W64-R120 HydrophobicContact CD2-CG 4.15Å; W64-R120 HydrophobicContact CE3-CB 3.82Å; W64-R120 HydrophobicContact CE3-CG 3.88Å; W64-R120 HydrophobicContact CH2-CG 3.86Å; W64-R120 VanDerWaalsContact CZ2-CD 3.48Å; W64-R120 HydrophobicContact CZ2-CG 4.13Å; W64-R120 VanDerWaalsContact CZ2-NE 3.3Å; W64-R120 HydrophobicContact CZ3-CB 4.15Å; W64-R120 HydrophobicContact CZ3-CG 3.73Å; W64-D132 WeakPolarHBondContact CH2-OD2 3.32Å; W64-G133 WeakPolarHBondContact CH2-O 3.49Å; W64-E134 HydrophobicContact CH2-CB 4.02Å; W64-E134 HydrophobicContact CZ3-CB 4Å
65	R	96.8	Very high	91.3	Very high	108 Å²	108	75.5 Å²	75.5	41%	0.408	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-68.5	160	163.7	-67.6	179.5	171.8	-122.4	2	110.1	D63 A85 C86 R118 C119	D63-R65 PolarHBondContact O-N 3.43Å; R65-A85 WeakPolarHBondContact CD-O 3.05Å; R65-C86 PolarHBondContact NE-O 3.1Å; R65-R118 WeakPolarHBondContact O-CB 3.41Å; R65-C119 VanDerWaalsContact CB-O 3.31Å; R65-C119 WeakPolarHBondContact CB-O 3.36Å; R65-C119 PolarHBondContact N-O 2.03Å
66	P	97.6	Very high	93.1	Very high	112 Å²	112	72.9 Å²	72.9	73%	0.727	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-56.9	153.6	-179.8	-24.7	34.5	0	0	0	113
67	W	98.1	Very high	94.8	Very high	93 Å²	93	68 Å²	68	35%	0.352	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-63.1	140.8	168.3	-71.5	104.6	0	0	0	110.7	K116 F117 R118 E134 D136	W67-K116 HydrophobicContact CE3-CB 3.75Å; W67-K116 HydrophobicContact CZ3-CB 4.28Å; W67-F117 CarbonylContact C-O 3.5Å; W67-F117 WeakPolarHBondContact CA-O 3.4Å; W67-F117 VanDerWaalsContact CE3-C 3.49Å; W67-R118 HydrophobicContact CD2-CB 3.93Å; W67-R118 HydrophobicContact CD2-CG 3.82Å; W67-R118 VanDerWaalsContact CE2-CD 3.42Å; W67-R118 HydrophobicContact CE3-CB 3.88Å; W67-R118 HydrophobicContact CE3-CG 3.8Å; W67-R118 HydrophobicContact CG-CB 4.35Å; W67-R118 HydrophobicContact CH2-CG 3.83Å; W67-R118 HydrophobicContact CZ2-CG 3.83Å; W67-R118 VanDerWaalsContact CZ2-NE 3.34Å; W67-R118 HydrophobicContact CZ3-CB 4.32Å; W67-R118 HydrophobicContact CZ3-CG 3.81Å; W67-E134 HydrophobicContact CH2-CB 3.77Å; W67-E134 HydrophobicContact CH2-CG 3.95Å; W67-E134 HydrophobicContact CZ2-CB 4.44Å; W67-E134 HydrophobicContact CZ3-CB 4.29Å; W67-D136 HydrophobicContact CH2-CB 3.8Å; W67-D136 HydrophobicContact CZ2-CB 4.5Å; W67-D136 HydrophobicContact CZ3-CB 3.81Å
68	T	98.1	Very high	95.3	Very high	26 Å²	26	62.9 Å²	62.9	16%	0.16	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-71.6	165.7	165.7	65.7	0	0	0	0	110.9	L71 A85 K116 F117	T68-L71 HydrophobicContact CG2-CD2 4.21Å; T68-L71 WeakPolarHBondContact OG1-CG 3.45Å; T68-A85 HydrophobicContact CG2-CB 3.66Å; T68-K116 WeakPolarHBondContact O-CG 3.24Å; T68-F117 HydrophobicContact CG2-CB 4.3Å; T68-F117 WeakPolarHBondContact CG2-O 3.01Å; T68-F117 PolarHBondContact N-O 3.28Å; T68-F117 PolarHBondContact OG1-N 3.36Å; T68-F117 PolarHBondContact OG1-O 3.07Å
69	D	97.4	Very high	95.6	Very high	126 Å²	126	63.9 Å²	63.9	67%	0.674	33%	0.328	S	S	*	.	S	Bend	trans	-60.5	171	156.1	-56.9	-44.2	0	0	0	111.2	L71	D69-L71 WeakPolarHBondContact O-CD2 3.23Å; D69-L71 PolarHBondContact O-N 2.68Å; D69-L71 VanDerWaalsContact O-N 3.11Å
70	C	98	Very high	95.8	Very high	32 Å²	32	63.6 Å²	63.6	22%	0.216	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-57.2	116.3	171.8	-64	0	0	0	0	110.8	M109 S114 C138	C70-M109 HydrophobicContact CB-SD 3.73Å; C70-S114 WeakPolarHBondContact CB-OG 3.26Å; C70-C138 VanDerWaalsContact CA-SG 3.59Å; C70-C138 HydrophobicContact CB-CB 3.96Å; C70-C138 WeakPolarHBondContact CB-SG 3.44Å; C70-C138 WeakPolarHBondContact SG-CB 3.29Å; C70-C138 CovalentContact SG-SG 2.04Å; C70-C138 PolarHBondContact SG-SG 2.81Å
71	L	97.8	Very high	96.1	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-84.6	140.3	-176	-59	-173.7	0	0	0	111.3	T68 D69 K81 I82 S114 F115 F117	T68-L71 HydrophobicContact CG2-CD2 4.21Å; T68-L71 WeakPolarHBondContact OG1-CG 3.45Å; D69-L71 WeakPolarHBondContact O-CD2 3.23Å; D69-L71 PolarHBondContact O-N 2.68Å; D69-L71 VanDerWaalsContact O-N 3.11Å; L71-K81 HydrophobicContact CD2-CB 3.57Å; L71-K81 HydrophobicContact CD2-CD 3.43Å; L71-K81 VanDerWaalsContact CD2-CD 3.43Å; L71-K81 HydrophobicContact CD2-CG 4.14Å; L71-I82 HydrophobicContact CD1-CD1 4.41Å; L71-I82 HydrophobicContact CD1-CG1 3.74Å; L71-S114 PolarHBondContact O-OG 2.78Å; L71-F115 HydrophobicContact CB-CZ 4.43Å; L71-F115 VanDerWaalsContact CB-O 3.29Å; L71-F115 WeakPolarHBondContact CB-O 3.01Å; L71-F115 HydrophobicContact CD1-CD2 4.42Å; L71-F115 HydrophobicContact CD1-CE2 3.86Å; L71-F115 HydrophobicContact CD1-CZ 4.21Å; L71-F115 WeakPolarHBondContact CG-O 3.38Å; L71-F115 PolarHBondContact N-O 2.77Å; L71-F117 HydrophobicContact CD1-CB 3.62Å; L71-F117 HydrophobicContact CD1-CG 4.43Å
72	W	97.7	Very high	96.3	Very high	30 Å²	30	62 Å²	62	11%	0.114	30%	0.304	C	S	.	.			trans	-143.7	163	-178.3	-160.2	-117.6	0	0	0	113.3	N77 P107 P108 M109 C110 C113	W72-N77 PolarHBondContact O-ND2 2.82Å; W72-P107 PolarHBondContact NE1-O 2.63Å; W72-P108 VanDerWaalsContact CZ2-O 3.24Å; W72-P108 WeakPolarHBondContact CZ2-O 3.26Å; W72-M109 HydrophobicContact CB-CG 3.76Å; W72-M109 HydrophobicContact CB-SD 4.31Å; W72-M109 HydrophobicContact CD2-CB 4.15Å; W72-M109 HydrophobicContact CD2-CG 3.56Å; W72-M109 HydrophobicContact CE3-CB 4.19Å; W72-M109 HydrophobicContact CE3-CG 3.79Å; W72-M109 HydrophobicContact CG-CG 3.54Å; W72-C110 HydrophobicContact CH2-CB 4.45Å; W72-C110 VanDerWaalsContact CH2-N 3.25Å; W72-C110 WeakPolarHBondContact CH2-O 3.39Å; W72-C110 VanDerWaalsContact CH2-SG 3.59Å; W72-C113 HydrophobicContact CH2-CB 4.04Å; W72-C113 HydrophobicContact CZ3-CB 3.8Å
73	Y	95	Very high	96.3	Very high	72 Å²	72	56.8 Å²	56.8	28%	0.282	28%	0.283	S	S	.	.	S	Bend	trans	-60.6	157.9	174.9	-72.1	-78	0	0	0	111.9	P75 M78 K191	Y73-P75 HydrophobicContact CD1-CG 4.03Å; Y73-P75 HydrophobicContact CE1-CG 4.29Å; Y73-M78 HydrophobicContact CD1-CE 4.27Å; Y73-M78 HydrophobicContact CD2-CE 4.04Å; Y73-M78 HydrophobicContact CE1-CE 4.22Å; Y73-M78 HydrophobicContact CE2-CE 3.98Å; Y73-M78 HydrophobicContact CG-CE 4.19Å; Y73-K191 WeakPolarHBondContact OH-CE 3.06Å; Y73-K191 PolarHBondContact OH-NZ 2.56Å; Y73-K191 VanDerWaalsContact OH-NZ 3.11Å
74	P	94.8	Very high	96.5	Very high	56 Å²	56	54.8 Å²	54.8	36%	0.364	27%	0.268	S	S	.	.	S	Bend	cis	-72.6	165.4	12.2	30.2	-37	0	0	0	114.8	Q76 N77 M78 P106	P74-Q76 VanDerWaalsContact C-N 3.25Å; P74-Q76 PolarHBondContact O-N 2.97Å; P74-N77 HydrophobicContact CG-CB 4.05Å; P74-N77 PolarHBondContact O-N 2.83Å; P74-N77 VanDerWaalsContact O-N 3.14Å; P74-M78 PolarHBondContact O-N 2.72Å; P74-M78 VanDerWaalsContact O-N 3.14Å; P74-P106 HydrophobicContact CB-CG 4.43Å
75	P	94	Very high	96.5	Very high	18 Å²	18	51.8 Å²	51.8	12%	0.117	26%	0.26	C	S	.	.	H	α-helix	trans	-54.6	-37.6	-177.7	-26.8	35.3	0	0	0	114.1	Y73 Y79	Y73-P75 HydrophobicContact CD1-CG 4.03Å; Y73-P75 HydrophobicContact CE1-CG 4.29Å; P75-Y79 WeakPolarHBondContact O-CB 3.5Å; P75-Y79 PolarHBondContact O-N 3.02Å
76	Q	94.9	Very high	96.4	Very high	41 Å²	41	46.6 Å²	46.6	19%	0.192	24%	0.241	C	C	.	.	H	α-helix	trans	-61.6	-49.1	177.2	-175.3	61.4	23.2	0	0	111.9	P74 M78 Y79 T80 R92 L94	P74-Q76 VanDerWaalsContact C-N 3.25Å; P74-Q76 PolarHBondContact O-N 2.97Å; Q76-M78 PolarHBondContact O-N 2.87Å; Q76-Y79 PolarHBondContact O-N 3.48Å; Q76-T80 PolarHBondContact O-N 3.41Å; Q76-T80 PolarHBondContact O-OG1 2.87Å; Q76-T80 VanDerWaalsContact O-OG1 3.08Å; Q76-R92 PolarHBondContact NE2-O 3.17Å; Q76-R92 PolarHBondContact OE1-O 3.1Å; Q76-L94 VanDerWaalsContact OE1-CB 3.31Å
77	N	95.1	Very high	96.3	Very high	64 Å²	64	43 Å²	43	34%	0.342	22%	0.223	S	C	.	.	H	α-helix	trans	-61.8	-45	179.7	177	51	0	0	0	111.9	W72 P74 Y79 T80 K81	W72-N77 PolarHBondContact O-ND2 2.82Å; P74-N77 HydrophobicContact CG-CB 4.05Å; P74-N77 PolarHBondContact O-N 2.83Å; P74-N77 VanDerWaalsContact O-N 3.14Å; N77-Y79 PolarHBondContact O-N 2.85Å; N77-T80 PolarHBondContact O-N 2.03Å; N77-K81 PolarHBondContact O-N 2.9Å
78	M	95.9	Very high	96	Very high	10 Å²	10	40 Å²	40	5%	0.049	21%	0.214	C	C	.	.	H	α-helix	trans	-59.7	-46.5	175.9	-175	-177.9	-68.3	0	0	111.3	Y73 P74 Q76 K81 I82 F115	Y73-M78 HydrophobicContact CD1-CE 4.27Å; Y73-M78 HydrophobicContact CD2-CE 4.04Å; Y73-M78 HydrophobicContact CE1-CE 4.22Å; Y73-M78 HydrophobicContact CE2-CE 3.98Å; Y73-M78 HydrophobicContact CG-CE 4.19Å; P74-M78 PolarHBondContact O-N 2.72Å; P74-M78 VanDerWaalsContact O-N 3.14Å; Q76-M78 PolarHBondContact O-N 2.87Å; M78-K81 PolarHBondContact O-N 2.98Å; M78-I82 HydrophobicContact CG-CD1 3.95Å; M78-I82 WeakPolarHBondContact O-CB 3.33Å; M78-I82 VanDerWaalsContact O-CG1 3.27Å; M78-I82 WeakPolarHBondContact O-CG1 3.43Å; M78-I82 PolarHBondContact O-N 3.41Å; M78-F115 HydrophobicContact CE-CE1 4.06Å; M78-F115 HydrophobicContact CG-CZ 4.37Å; M78-F115 HydrophobicContact SD-CE1 3.92Å; M78-F115 HydrophobicContact SD-CZ 4Å
79	Y	95.6	Very high	95.7	Very high	43 Å²	43	45.9 Å²	45.9	17%	0.169	24%	0.239	C	C	.	.	H	α-helix	trans	-60	-46.9	175.9	162.2	-108.7	0	0	0	112.3	P75 Q76 N77 K81 I82 A83 A90 E91 R92 L94	P75-Y79 WeakPolarHBondContact O-CB 3.5Å; P75-Y79 PolarHBondContact O-N 3.02Å; Q76-Y79 PolarHBondContact O-N 3.48Å; N77-Y79 PolarHBondContact O-N 2.85Å; Y79-K81 PolarHBondContact O-N 3.18Å; Y79-I82 PolarHBondContact O-N 3.06Å; Y79-A83 HydrophobicContact CE2-CB 4.37Å; Y79-A83 PolarHBondContact O-N 3.35Å; Y79-A90 HydrophobicContact CD1-CB 4.39Å; Y79-A90 HydrophobicContact CE1-CB 3.83Å; Y79-E91 PolarHBondContact OH-N 3.46Å; Y79-R92 HydrophobicContact CD1-CB 4.49Å; Y79-R92 HydrophobicContact CE1-CB 3.66Å; Y79-R92 HydrophobicContact CE1-CG 4.39Å; Y79-R92 WeakPolarHBondContact CE1-O 3.35Å; Y79-R92 WeakPolarHBondContact OH-CG 2.94Å; Y79-R92 PolarHBondContact OH-N 2.85Å; Y79-L94 HydrophobicContact CD1-CD1 4.04Å; Y79-L94 HydrophobicContact CD1-CG 4.3Å; Y79-L94 HydrophobicContact CD2-CD1 4.27Å; Y79-L94 HydrophobicContact CG-CD1 3.68Å; Y79-L94 HydrophobicContact CG-CG 4.43Å
80	T	96.2	Very high	95.4	Very high	35 Å²	35	41.2 Å²	41.2	22%	0.215	22%	0.218	C	C	.	.	H	α-helix	trans	-58.2	-47.3	178.9	-64.1	0	0	0	0	111.4	Q76 N77 I82 A83 H84 A90	Q76-T80 PolarHBondContact O-N 3.41Å; Q76-T80 PolarHBondContact O-OG1 2.87Å; Q76-T80 VanDerWaalsContact O-OG1 3.08Å; N77-T80 PolarHBondContact O-N 2.03Å; T80-I82 VanDerWaalsContact C-N 3.35Å; T80-I82 PolarHBondContact O-N 3.38Å; T80-A83 PolarHBondContact O-N 2.91Å; T80-H84 VanDerWaalsContact CG2-CE1 3.41Å; T80-H84 WeakPolarHBondContact CG2-CE1 3.35Å; T80-H84 WeakPolarHBondContact O-CB 3.31Å; T80-H84 PolarHBondContact O-CD2 2.87Å; T80-H84 PolarHBondContact O-N 3.47Å; T80-A90 HydrophobicContact CG2-CB 3.86Å
81	K	97.5	Very high	95	Very high	77 Å²	77	42.6 Å²	42.6	34%	0.335	22%	0.221	S	C	.	.	H	α-helix	trans	-64	-38.2	177.3	-70.5	-170.6	175.6	-164.9	0	112.7	L71 N77 M78 Y79 A85	L71-K81 HydrophobicContact CD2-CB 3.57Å; L71-K81 HydrophobicContact CD2-CD 3.43Å; L71-K81 VanDerWaalsContact CD2-CD 3.43Å; L71-K81 HydrophobicContact CD2-CG 4.14Å; N77-K81 PolarHBondContact O-N 2.9Å; M78-K81 PolarHBondContact O-N 2.98Å; Y79-K81 PolarHBondContact O-N 3.18Å; K81-A85 WeakPolarHBondContact O-CB 3.25Å; K81-A85 PolarHBondContact O-N 3.12Å
82	I	96.8	Very high	94.7	Very high	17 Å²	17	43.4 Å²	43.4	9%	0.087	22%	0.224	C	C	.	.	H	α-helix	trans	-63.7	-48.1	174.2	-71.7	169.3	0	0	0	110.7	W18 L71 M78 Y79 T80 H84 A85 C86 F115 F117 M184	W18-I82 HydrophobicContact CH2-CG2 3.55Å; W18-I82 VanDerWaalsContact CH2-O 3.27Å; W18-I82 WeakPolarHBondContact CH2-O 3.39Å; W18-I82 HydrophobicContact CZ2-CG2 3.32Å; L71-I82 HydrophobicContact CD1-CD1 4.41Å; L71-I82 HydrophobicContact CD1-CG1 3.74Å; M78-I82 HydrophobicContact CG-CD1 3.95Å; M78-I82 WeakPolarHBondContact O-CB 3.33Å; M78-I82 VanDerWaalsContact O-CG1 3.27Å; M78-I82 WeakPolarHBondContact O-CG1 3.43Å; M78-I82 PolarHBondContact O-N 3.41Å; Y79-I82 PolarHBondContact O-N 3.06Å; T80-I82 VanDerWaalsContact C-N 3.35Å; T80-I82 PolarHBondContact O-N 3.38Å; I82-H84 VanDerWaalsContact C-N 3.34Å; I82-H84 PolarHBondContact O-N 2.89Å; I82-A85 WeakPolarHBondContact O-CB 3.46Å; I82-A85 PolarHBondContact O-N 3.11Å; I82-C86 PolarHBondContact O-N 3.34Å; I82-F115 HydrophobicContact CD1-CZ 4.29Å; I82-F117 HydrophobicContact CG1-CD1 4.43Å; I82-F117 HydrophobicContact CG1-CG 4.39Å; I82-F117 HydrophobicContact CG2-CE1 4.3Å; I82-M184 HydrophobicContact CG2-CE 3.56Å
83	A	95.7	Very high	94.6	Very high	6 Å²	6	47 Å²	47	5%	0.05	25%	0.246	C	C	.	.	H	α-helix	trans	-58.7	-46	177.5	0	0	0	0	0	111.6	Y79 T80 A85 C86 G87 M88 A90	Y79-A83 HydrophobicContact CE2-CB 4.37Å; Y79-A83 PolarHBondContact O-N 3.35Å; T80-A83 PolarHBondContact O-N 2.91Å; A83-A85 VanDerWaalsContact C-N 3.35Å; A83-A85 PolarHBondContact O-N 3.06Å; A83-C86 WeakPolarHBondContact O-CB 3.39Å; A83-C86 PolarHBondContact O-N 3.41Å; A83-C86 VanDerWaalsContact O-N 3.08Å; A83-G87 PolarHBondContact O-N 3.38Å; A83-M88 CarbonylContact C-O 3.55Å; A83-M88 VanDerWaalsContact C-O 3.29Å; A83-M88 PolarHBondContact O-N 3.26Å; A83-A90 HydrophobicContact CB-CB 4.18Å
84	H	96.4	Very high	94.5	Very high	107 Å²	107	44.1 Å²	44.1	50%	0.495	24%	0.235	S	C	.	.	H	α-helix	trans	-64	-36.7	177.4	-67.7	-178.4	0	0	0	112.8	T80 I82 C86 G87 M88	T80-H84 VanDerWaalsContact CG2-CE1 3.41Å; T80-H84 WeakPolarHBondContact CG2-CE1 3.35Å; T80-H84 WeakPolarHBondContact O-CB 3.31Å; T80-H84 PolarHBondContact O-CD2 2.87Å; T80-H84 PolarHBondContact O-N 3.47Å; I82-H84 VanDerWaalsContact C-N 3.34Å; I82-H84 PolarHBondContact O-N 2.89Å; H84-C86 PolarHBondContact O-N 2.98Å; H84-G87 PolarHBondContact O-N 3.31Å; H84-M88 PolarHBondContact CD2-O 3.39Å
85	A	96.9	Very high	94.4	Very high	14 Å²	14	45.2 Å²	45.2	12%	0.116	24%	0.241	C	C	.	.	H	α-helix	trans	-60.5	-25.1	174.8	0	0	0	0	0	112.5	R65 T68 K81 I82 A83 F117 C119	R65-A85 WeakPolarHBondContact CD-O 3.05Å; T68-A85 HydrophobicContact CG2-CB 3.66Å; K81-A85 WeakPolarHBondContact O-CB 3.25Å; K81-A85 PolarHBondContact O-N 3.12Å; I82-A85 WeakPolarHBondContact O-CB 3.46Å; I82-A85 PolarHBondContact O-N 3.11Å; A83-A85 VanDerWaalsContact C-N 3.35Å; A83-A85 PolarHBondContact O-N 3.06Å; A85-F117 HydrophobicContact CB-CD1 3.75Å; A85-F117 HydrophobicContact CB-CE1 4.14Å; A85-C119 VanDerWaalsContact O-CB 3.29Å; A85-C119 WeakPolarHBondContact O-CB 3.45Å
86	C	95.7	Very high	94.2	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-3	168.7	-93.3	0	0	0	0	115.9	W18 R65 I82 A83 H84 M88 C119 R121 L131	W18-C86 VanDerWaalsContact CE3-SG 3.5Å; W18-C86 HydrophobicContact CH2-CB 3.74Å; W18-C86 WeakPolarHBondContact CH2-SG 3.33Å; W18-C86 HydrophobicContact CZ2-CB 4.2Å; W18-C86 VanDerWaalsContact CZ2-SG 3.5Å; W18-C86 HydrophobicContact CZ3-CB 4.22Å; W18-C86 WeakPolarHBondContact CZ3-SG 3.36Å; R65-C86 PolarHBondContact NE-O 3.1Å; I82-C86 PolarHBondContact O-N 3.34Å; A83-C86 WeakPolarHBondContact O-CB 3.39Å; A83-C86 PolarHBondContact O-N 3.41Å; A83-C86 VanDerWaalsContact O-N 3.08Å; H84-C86 PolarHBondContact O-N 2.98Å; C86-M88 HydrophobicContact CB-CG 4.13Å; C86-M88 HydrophobicContact CB-SD 4.3Å; C86-C119 WeakPolarHBondContact CA-SG 3.49Å; C86-C119 HydrophobicContact CB-CB 3.94Å; C86-C119 WeakPolarHBondContact CB-SG 3.12Å; C86-C119 WeakPolarHBondContact SG-CB 3.46Å; C86-C119 CovalentContact SG-SG 2.02Å; C86-C119 PolarHBondContact SG-SG 3.28Å; C86-R121 WeakPolarHBondContact O-CD 3.29Å; C86-R121 PolarHBondContact O-NH1 3.01Å; C86-L131 HydrophobicContact CB-CD1 4.47Å; C86-L131 HydrophobicContact CB-CD2 4.35Å; C86-L131 VanDerWaalsContact SG-CD1 3.56Å
87	G	93.9	Very high	94	Very high	35 Å²	35	45.7 Å²	45.7	36%	0.361	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.6	45.1	-169	0	0	0	0	0	112.2	A83 H84 R121	A83-G87 PolarHBondContact O-N 3.38Å; H84-G87 PolarHBondContact O-N 3.31Å; G87-R121 PolarHBondContact O-NH1 2.88Å
88	M	91.8	Very high	93.9	Very high	30 Å²	30	44.6 Å²	44.6	15%	0.148	25%	0.251	C	S	.	.			trans	-119.3	150	169.3	-63.9	177.9	64	0	0	109.1	F16 A83 H84 C86 L131 V401	F16-M88 HydrophobicContact CB-CE 3.77Å; F16-M88 HydrophobicContact CB-SD 3.64Å; F16-M88 HydrophobicContact CD2-CE 3.92Å; F16-M88 HydrophobicContact CD2-SD 4.14Å; F16-M88 HydrophobicContact CG-CE 4.21Å; F16-M88 HydrophobicContact CG-SD 4.02Å; A83-M88 CarbonylContact C-O 3.55Å; A83-M88 VanDerWaalsContact C-O 3.29Å; A83-M88 PolarHBondContact O-N 3.26Å; H84-M88 PolarHBondContact CD2-O 3.39Å; C86-M88 HydrophobicContact CB-CG 4.13Å; C86-M88 HydrophobicContact CB-SD 4.3Å; M88-L131 HydrophobicContact SD-CD1 3.89Å; M88-L131 HydrophobicContact SD-CD2 4.12Å; M88-V401 HydrophobicContact CE-CG2 4.17Å
89	H	91.8	Very high	93.5	Very high	150 Å²	150	48.5 Å²	48.5	69%	0.694	27%	0.269	S	S	*	.			trans	-70.4	146.5	169.9	-67	-70	0	0	0	110.7	E91	H89-E91 VanDerWaalsContact C-N 3.31Å; H89-E91 HydrophobicContact CB-CG 4.24Å; H89-E91 PolarHBondContact O-N 3.1Å; H89-E91 VanDerWaalsContact O-N 3.11Å
90	A	91.7	Very high	93.3	Very high	29 Å²	29	48.1 Å²	48.1	24%	0.24	27%	0.269	C	S	.	.			trans	-84.7	73.7	176.6	0	0	0	0	0	110.5	Y79 T80 A83 R92	Y79-A90 HydrophobicContact CD1-CB 4.39Å; Y79-A90 HydrophobicContact CE1-CB 3.83Å; T80-A90 HydrophobicContact CG2-CB 3.86Å; A83-A90 HydrophobicContact CB-CB 4.18Å; A90-R92 VanDerWaalsContact C-N 3.33Å; A90-R92 PolarHBondContact O-N 3.46Å
91	E	90.5	Very high	92.9	Very high	60 Å²	60	48.2 Å²	48.2	28%	0.28	27%	0.271	S	S	.	.			trans	-73.4	-19	-172.8	-65.5	159.5	-154.6	0	0	114.2	Y79 H89 V401 L404 H405	Y79-E91 PolarHBondContact OH-N 3.46Å; H89-E91 VanDerWaalsContact C-N 3.31Å; H89-E91 HydrophobicContact CB-CG 4.24Å; H89-E91 PolarHBondContact O-N 3.1Å; H89-E91 VanDerWaalsContact O-N 3.11Å; E91-V401 WeakPolarHBondContact OE2-CG1 3.4Å; E91-L404 HydrophobicContact CB-CD1 3.8Å; E91-H405 VanDerWaalsContact CD-NE2 3.3Å; E91-H405 IonicContact OE1-CE1 2.87Å; E91-H405 PolarHBondContact OE1-CE1 3.43Å; E91-H405 IonicContact OE1-NE2 2.78Å; E91-H405 PolarHBondContact OE1-NE2 2.73Å; E91-H405 IonicContact OE2-CE1 3.29Å; E91-H405 IonicContact OE2-NE2 2.92Å
92	R	91.9	Very high	92.3	Very high	17 Å²	17	48.4 Å²	48.4	6%	0.064	30%	0.295	C	S	.	.			trans	-88	136	-177.5	-57.4	170.7	-173.9	-71.8	-15	111.6	Q76 Y79 A90 L94 Y397 K399 L404	Q76-R92 PolarHBondContact NE2-O 3.17Å; Q76-R92 PolarHBondContact OE1-O 3.1Å; Y79-R92 HydrophobicContact CD1-CB 4.49Å; Y79-R92 HydrophobicContact CE1-CB 3.66Å; Y79-R92 HydrophobicContact CE1-CG 4.39Å; Y79-R92 WeakPolarHBondContact CE1-O 3.35Å; Y79-R92 WeakPolarHBondContact OH-CG 2.94Å; Y79-R92 PolarHBondContact OH-N 2.85Å; A90-R92 VanDerWaalsContact C-N 3.33Å; A90-R92 PolarHBondContact O-N 3.46Å; R92-L94 HydrophobicContact CB-CD2 4.06Å; R92-L94 HydrophobicContact CB-CG 4.41Å; R92-Y397 PolarHBondContact NH1-O 3.48Å; R92-K399 PolarHBondContact NH1-O 2.83Å; R92-K399 PolarHBondContact NH2-O 3.33Å; R92-L404 HydrophobicContact CG-CD1 4.36Å
93	N	94.1	Very high	91.7	Very high	105 Å²	105	56.8 Å²	56.8	56%	0.561	33%	0.333	S	S	*	.			trans	-93.9	109.1	163.3	-172.9	5.4	0	0	0	110.7	T95 Y397	N93-T95 WeakPolarHBondContact OD1-CB 3.33Å; N93-T95 PolarHBondContact OD1-N 2.93Å; N93-T95 PolarHBondContact OD1-OG1 3.39Å; N93-Y397 WeakPolarHBondContact O-CB 3.22Å
94	L	94.1	Very high	91.2	Very high	12 Å²	12	58.5 Å²	58.5	6%	0.063	35%	0.347	C	S	.	.			trans	-100.9	2.2	177.7	-52.7	-174.7	0	0	0	113	Q76 Y79 R92 G96 V97 L164	Q76-L94 VanDerWaalsContact OE1-CB 3.31Å; Y79-L94 HydrophobicContact CD1-CD1 4.04Å; Y79-L94 HydrophobicContact CD1-CG 4.3Å; Y79-L94 HydrophobicContact CD2-CD1 4.27Å; Y79-L94 HydrophobicContact CG-CD1 3.68Å; Y79-L94 HydrophobicContact CG-CG 4.43Å; R92-L94 HydrophobicContact CB-CD2 4.06Å; R92-L94 HydrophobicContact CB-CG 4.41Å; L94-G96 PolarHBondContact O-N 3.07Å; L94-V97 WeakPolarHBondContact O-CB 3.2Å; L94-V97 WeakPolarHBondContact O-CG2 3.3Å; L94-V97 PolarHBondContact O-N 3.14Å; L94-V97 VanDerWaalsContact O-N 3.14Å; L94-L164 HydrophobicContact CD1-CD1 4.21Å; L94-L164 HydrophobicContact CD2-CD2 4.17Å
95	T	92.2	Very high	90.8	Very high	80 Å²	80	62 Å²	62	49%	0.491	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	134.4	175.5	-48.1	0	0	0	0	109.6	N93 V97 E99	N93-T95 WeakPolarHBondContact OD1-CB 3.33Å; N93-T95 PolarHBondContact OD1-N 2.93Å; N93-T95 PolarHBondContact OD1-OG1 3.39Å; T95-V97 PolarHBondContact O-N 2.96Å; T95-E99 VanDerWaalsContact CA-OE1 3.28Å; T95-E99 WeakPolarHBondContact CA-OE1 3.5Å; T95-E99 WeakPolarHBondContact CG2-OE1 3.48Å
96	G	89.8	Confident	90.6	Very high	54 Å²	54	63.8 Å²	63.8	56%	0.557	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	-2.2	-176.7	0	0	0	0	0	116	L94 E99	L94-G96 PolarHBondContact O-N 3.07Å; G96-E99 PolarHBondContact N-OE1 3.32Å; G96-E99 PolarHBondContact N-OE2 3.37Å
97	V	91.6	Very high	90.6	Very high	15 Å²	15	65.4 Å²	65.4	9%	0.091	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-42.5	-177.4	-174	0	0	0	0	111.7	L94 T95 K163 L164 Y397	L94-V97 WeakPolarHBondContact O-CB 3.2Å; L94-V97 WeakPolarHBondContact O-CG2 3.3Å; L94-V97 PolarHBondContact O-N 3.14Å; L94-V97 VanDerWaalsContact O-N 3.14Å; T95-V97 PolarHBondContact O-N 2.96Å; V97-K163 HydrophobicContact CG1-CD 3.89Å; V97-K163 HydrophobicContact CG1-CG 4.36Å; V97-K163 WeakPolarHBondContact O-CD 3.5Å; V97-K163 PolarHBondContact O-NZ 2.88Å; V97-L164 HydrophobicContact CG1-CD2 3.86Å; V97-Y397 HydrophobicContact CG1-CD2 4.34Å; V97-Y397 HydrophobicContact CG1-CE2 3.91Å; V97-Y397 HydrophobicContact CG2-CD1 3.94Å; V97-Y397 HydrophobicContact CG2-CD2 4.37Å; V97-Y397 HydrophobicContact CG2-CE1 4.08Å; V97-Y397 HydrophobicContact CG2-CG 4.1Å
98	M	91.2	Very high	90.7	Very high	40 Å²	40	68.7 Å²	68.7	20%	0.197	40%	0.397	C	S	.	.	S	Bend	trans	-147.6	43.7	-178	-56.8	-176.4	-53.9	0	0	111.6	I160 K163 L164	M98-I160 HydrophobicContact SD-CB 4.47Å; M98-K163 HydrophobicContact CG-CD 4.35Å; M98-K163 HydrophobicContact SD-CB 4.37Å; M98-L164 HydrophobicContact CE-CD1 3.27Å; M98-L164 HydrophobicContact CE-CG 3.6Å; M98-L164 HydrophobicContact SD-CD1 4.27Å; M98-L164 HydrophobicContact SD-CG 3.92Å
99	E	87.7	Confident	91	Very high	93 Å²	93	70 Å²	70	44%	0.435	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-79.7	165.1	178.9	-73	176.8	-179.3	0	0	112.5	T95 G96	T95-E99 VanDerWaalsContact CA-OE1 3.28Å; T95-E99 WeakPolarHBondContact CA-OE1 3.5Å; T95-E99 WeakPolarHBondContact CG2-OE1 3.48Å; G96-E99 PolarHBondContact N-OE1 3.32Å; G96-E99 PolarHBondContact N-OE2 3.37Å
100	L	91.6	Very high	91.3	Very high	34 Å²	34	63.1 Å²	63.1	18%	0.178	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-67	147.9	170.2	-63.8	178.2	0	0	0	109.7	A104 P106 P148 Y157	L100-A104 HydrophobicContact CB-CB 4.01Å; L100-A104 HydrophobicContact CD1-CB 4.45Å; L100-P106 HydrophobicContact CD1-CG 4.43Å; L100-P148 HydrophobicContact CB-CG 4.48Å; L100-P148 HydrophobicContact CD2-CG 4.07Å; L100-Y157 HydrophobicContact CD2-CE1 3.7Å; L100-Y157 VanDerWaalsContact CD2-OH 3.31Å; L100-Y157 WeakPolarHBondContact CD2-OH 3.49Å
101	P	88.2	Confident	91.7	Very high	38 Å²	38	61.7 Å²	61.7	25%	0.247	36%	0.361	C	S	.	.	S	Bend	trans	-68.8	144.8	-178.5	27.7	-35	0	0	0	112.3	A104 P148 P151	P101-A104 WeakPolarHBondContact O-CB 3.29Å; P101-A104 PolarHBondContact O-N 2.68Å; P101-P148 HydrophobicContact CG-CB 4.26Å; P101-P148 HydrophobicContact CG-CG 4.18Å; P101-P151 HydrophobicContact CB-CG 4.03Å
102	G	85	Confident	92	Very high	81 Å²	81	59.6 Å²	59.6	84%	0.835	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.1	-137.7	176.2	0	0	0	0	0	112.3	A104	G102-A104 VanDerWaalsContact C-N 3.33Å
103	E	83.9	Confident	92.3	Very high	192 Å²	192	59 Å²	59	90%	0.897	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	12.1	179.1	-60.4	-179	178.3	0	0	112.8	K105	E103-K105 PolarHBondContact O-N 3.09Å
104	A	84.9	Confident	92.5	Very high	42 Å²	42	54 Å²	54	35%	0.347	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-63.4	124.6	-177.8	0	0	0	0	0	111	L100 P101 G102 P148	L100-A104 HydrophobicContact CB-CB 4.01Å; L100-A104 HydrophobicContact CD1-CB 4.45Å; P101-A104 WeakPolarHBondContact O-CB 3.29Å; P101-A104 PolarHBondContact O-N 2.68Å; G102-A104 VanDerWaalsContact C-N 3.33Å; A104-P148 HydrophobicContact CB-CG 4.1Å
105	K	89	Confident	92.8	Very high	182 Å²	182	53.5 Å²	53.5	79%	0.791	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-87.3	147.5	176.2	-63.9	-178.7	-177.6	177.6	0	110.6	E103	E103-K105 PolarHBondContact O-N 3.09Å
106	P	92.3	Very high	93	Very high	51 Å²	51	53.4 Å²	53.4	33%	0.331	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-53.8	134	168.1	-24.3	34.1	0	0	0	110.4	P74 L100	P74-P106 HydrophobicContact CB-CG 4.43Å; L100-P106 HydrophobicContact CD1-CG 4.43Å
107	P	95.7	Very high	93.4	Very high	34 Å²	34	50.9 Å²	50.9	22%	0.221	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-64.9	170.4	172.4	30.3	-35.8	0	0	0	110.3	W72 L147	W72-P107 PolarHBondContact NE1-O 2.63Å; P107-L147 HydrophobicContact CG-CD2 3.68Å
108	P	96.8	Very high	93.7	Very high	103 Å²	103	52.5 Å²	52.5	67%	0.669	29%	0.291	S	S	*	.	S	Bend	trans	-54.9	163.1	166.3	-23	34	0	0	0	112.4	W72 C110	W72-P108 VanDerWaalsContact CZ2-O 3.24Å; W72-P108 WeakPolarHBondContact CZ2-O 3.26Å; P108-C110 PolarHBondContact O-N 3.35Å; P108-C110 PolarHBondContact O-SG 3.04Å; P108-C110 VanDerWaalsContact O-SG 3.35Å
109	M	98.1	Very high	94	Very high	58 Å²	58	50.6 Å²	50.6	29%	0.286	28%	0.281	S	S	.	.	S	Bend	trans	-50.8	124.4	174.7	-71.2	-176.1	-84.1	0	0	110.7	C70 W72 S114 H141 Q143	C70-M109 HydrophobicContact CB-SD 3.73Å; W72-M109 HydrophobicContact CB-CG 3.76Å; W72-M109 HydrophobicContact CB-SD 4.31Å; W72-M109 HydrophobicContact CD2-CB 4.15Å; W72-M109 HydrophobicContact CD2-CG 3.56Å; W72-M109 HydrophobicContact CE3-CB 4.19Å; W72-M109 HydrophobicContact CE3-CG 3.79Å; W72-M109 HydrophobicContact CG-CG 3.54Å; M109-S114 PolarHBondContact SD-OG 2.91Å; M109-H141 HydrophobicContact CB-CB 3.89Å; M109-Q143 PolarHBondContact O-NE2 2.92Å
110	C	98.4	Very high	94.3	Very high	5 Å²	5	48.6 Å²	48.6	3%	0.034	27%	0.27	C	S	.	.			trans	-152	168.4	-170.1	58.7	0	0	0	0	112.5	W72 P108 H112 C113 H141 Q143 C145	W72-C110 HydrophobicContact CH2-CB 4.45Å; W72-C110 VanDerWaalsContact CH2-N 3.25Å; W72-C110 WeakPolarHBondContact CH2-O 3.39Å; W72-C110 VanDerWaalsContact CH2-SG 3.59Å; P108-C110 PolarHBondContact O-N 3.35Å; P108-C110 PolarHBondContact O-SG 3.04Å; P108-C110 VanDerWaalsContact O-SG 3.35Å; C110-H112 VanDerWaalsContact C-N 3.28Å; C110-H112 PolarHBondContact O-N 3.02Å; C110-C113 WeakPolarHBondContact O-CB 3.25Å; C110-C113 PolarHBondContact O-N 2.88Å; C110-H141 CarbonylContact C-O 3.41Å; C110-H141 VanDerWaalsContact CA-O 3.31Å; C110-H141 WeakPolarHBondContact CA-O 3.36Å; C110-Q143 CarbonylContact C-O 3.52Å; C110-Q143 HydrophobicContact CB-CG 4.46Å; C110-Q143 VanDerWaalsContact CB-O 3.28Å; C110-Q143 WeakPolarHBondContact CB-O 3.37Å; C110-C145 HydrophobicContact CB-CB 4.08Å; C110-C145 WeakPolarHBondContact CB-SG 3.24Å; C110-C145 PolarHBondContact O-SG 2.7Å; C110-C145 WeakPolarHBondContact SG-CA 3.12Å; C110-C145 WeakPolarHBondContact SG-CB 3.47Å; C110-C145 CovalentContact SG-SG 2.04Å; C110-C145 PolarHBondContact SG-SG 3.27Å
111	G	98.4	Very high	94.4	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	64	22.4	164.4	0	0	0	0	0	115.5	C113 H141 Q143 C203 C204	G111-C113 PolarHBondContact O-N 3.21Å; G111-C113 PolarHBondContact O-SG 3.22Å; G111-H141 PolarHBondContact N-O 3.16Å; G111-Q143 WeakPolarHBondContact CA-O 3.36Å; G111-Q143 PolarHBondContact N-O 3.26Å; G111-C203 CarbonylContact O-C 2.92Å; G111-C203 VanDerWaalsContact O-CA 3.31Å; G111-C203 WeakPolarHBondContact O-CA 3.37Å; G111-C204 PolarHBondContact O-N 2.77Å
112	H	98.4	Very high	94.6	Very high	16 Å²	16	48.1 Å²	48.1	7%	0.074	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.8	25.5	-169.8	-48.1	-83.4	0	0	0	112.8	C110 V137 H139 H141 G142 C204 Y207	C110-H112 VanDerWaalsContact C-N 3.28Å; C110-H112 PolarHBondContact O-N 3.02Å; H112-V137 HydrophobicContact CB-CG1 4.2Å; H112-V137 VanDerWaalsContact O-CG1 3.27Å; H112-V137 WeakPolarHBondContact O-CG1 3.38Å; H112-H139 AromaticContact CG-ND1 3.96Å; H112-H139 AromaticContact ND1-ND1 3.29Å; H112-H139 PolarHBondContact ND1-ND1 2.83Å; H112-H139 PolarHBondContact ND1-O 3.03Å; H112-H141 PolarHBondContact N-O 2.9Å; H112-G142 WeakPolarHBondContact CE1-CA 3.27Å; H112-G142 VanDerWaalsContact NE2-CA 3.3Å; H112-G142 WeakPolarHBondContact NE2-CA 3.03Å; H112-C204 WeakPolarHBondContact O-CB 3.28Å; H112-Y207 HydrophobicContact CB-CD2 4.02Å; H112-Y207 HydrophobicContact CB-CG 4.43Å; H112-Y207 AromaticContact CD2-CD1 3.51Å; H112-Y207 AromaticContact CD2-CD2 3.59Å; H112-Y207 AromaticContact CD2-CG 3.25Å; H112-Y207 AromaticContact CE1-CE1 3.73Å; H112-Y207 AromaticContact CE1-CE2 3.98Å; H112-Y207 AromaticContact CE1-CZ 3.7Å; H112-Y207 AromaticContact CG-CD2 3.62Å; H112-Y207 AromaticContact CG-CE2 3.97Å; H112-Y207 AromaticContact CG-CG 3.81Å; H112-Y207 AromaticContact ND1-CE2 3.9Å; H112-Y207 AromaticContact NE2-CD1 3.31Å; H112-Y207 VanDerWaalsContact NE2-CD1 3.31Å; H112-Y207 WeakPolarHBondContact NE2-CD1 3.5Å; H112-Y207 AromaticContact NE2-CE1 3.45Å; H112-Y207 WeakPolarHBondContact NE2-CE1 3.01Å; H112-Y207 AromaticContact NE2-CG 3.6Å; H112-Y207 AromaticContact NE2-CZ 3.87Å
113	C	98.3	Very high	94.7	Very high	4 Å²	4	48.6 Å²	48.6	3%	0.027	24%	0.244	C	C	.	.			trans	-94.2	-12.7	-177.7	-65.7	0	0	0	0	113.4	W72 C110 G111 C204	W72-C113 HydrophobicContact CH2-CB 4.04Å; W72-C113 HydrophobicContact CZ3-CB 3.8Å; C110-C113 WeakPolarHBondContact O-CB 3.25Å; C110-C113 PolarHBondContact O-N 2.88Å; G111-C113 PolarHBondContact O-N 3.21Å; G111-C113 PolarHBondContact O-SG 3.22Å; C113-C204 WeakPolarHBondContact CA-SG 3.31Å; C113-C204 HydrophobicContact CB-CB 3.85Å; C113-C204 WeakPolarHBondContact CB-SG 3.33Å; C113-C204 WeakPolarHBondContact SG-CB 3.07Å; C113-C204 CovalentContact SG-SG 2.03Å; C113-C204 PolarHBondContact SG-SG 2.96Å
114	S	98.3	Very high	94.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.223	C	C	.	.			trans	-82.6	147.2	175.9	-170.9	0	0	0	0	109.7	C70 L71 M109 C138	C70-S114 WeakPolarHBondContact CB-OG 3.26Å; L71-S114 PolarHBondContact O-OG 2.78Å; M109-S114 PolarHBondContact SD-OG 2.91Å; S114-C138 PolarHBondContact O-N 2.72Å
115	F	98.4	Very high	94.3	Very high	1 Å²	1	43.1 Å²	43.1	0%	0.004	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	147.9	-174.7	64.3	-82.2	0	0	0	112.1	L71 M78 I82 F117 V135 D136 I188 P189	L71-F115 HydrophobicContact CB-CZ 4.43Å; L71-F115 VanDerWaalsContact CB-O 3.29Å; L71-F115 WeakPolarHBondContact CB-O 3.01Å; L71-F115 HydrophobicContact CD1-CD2 4.42Å; L71-F115 HydrophobicContact CD1-CE2 3.86Å; L71-F115 HydrophobicContact CD1-CZ 4.21Å; L71-F115 WeakPolarHBondContact CG-O 3.38Å; L71-F115 PolarHBondContact N-O 2.77Å; M78-F115 HydrophobicContact CE-CE1 4.06Å; M78-F115 HydrophobicContact CG-CZ 4.37Å; M78-F115 HydrophobicContact SD-CE1 3.92Å; M78-F115 HydrophobicContact SD-CZ 4Å; I82-F115 HydrophobicContact CD1-CZ 4.29Å; F115-F117 HydrophobicContact CD2-CB 4.32Å; F115-F117 HydrophobicContact CE2-CB 4.18Å; F115-F117 HydrophobicContact CE2-CD2 4.23Å; F115-V135 HydrophobicContact CB-CG1 3.81Å; F115-V135 HydrophobicContact CD2-CB 4.42Å; F115-V135 HydrophobicContact CD2-CG1 3.77Å; F115-V135 HydrophobicContact CD2-CG2 3.91Å; F115-V135 HydrophobicContact CE2-CG2 4.11Å; F115-V135 HydrophobicContact CG-CG1 3.99Å; F115-D136 CarbonylContact C-O 3.59Å; F115-D136 WeakPolarHBondContact CA-O 2.99Å; F115-D136 WeakPolarHBondContact CB-O 3.4Å; F115-I188 HydrophobicContact CE1-CG2 4.24Å; F115-I188 HydrophobicContact CZ-CG1 4.44Å; F115-P189 HydrophobicContact CB-CG 4.03Å; F115-P189 VanDerWaalsContact CD1-CD 3.42Å; F115-P189 HydrophobicContact CD1-CG 3.75Å; F115-P189 HydrophobicContact CG-CG 4.09Å
116	K	98.4	Very high	94.1	Very high	79 Å²	79	42.6 Å²	42.6	34%	0.343	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	154.9	164	-58.8	178.9	-175.4	163.6	0	109.4	W67 T68 V135 D136	W67-K116 HydrophobicContact CE3-CB 3.75Å; W67-K116 HydrophobicContact CZ3-CB 4.28Å; T68-K116 WeakPolarHBondContact O-CG 3.24Å; K116-V135 WeakPolarHBondContact O-CA 3.35Å; K116-D136 HydrophobicContact CB-CB 4.42Å; K116-D136 PolarHBondContact N-O 2.84Å; K116-D136 PolarHBondContact O-N 3.04Å
117	F	98.1	Very high	93.8	Very high	1 Å²	1	44.2 Å²	44.2	0%	0.004	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	140.6	-176.8	-175.3	-92.4	0	0	0	110.5	W18 I20 W67 T68 L71 I82 A85 F115 C119 E134 V135 M184	W18-F117 HydrophobicContact CD2-CZ 4.31Å; W18-F117 HydrophobicContact CE3-CE1 4.02Å; W18-F117 AromaticContact CE3-CZ 3.47Å; W18-F117 HydrophobicContact CE3-CZ 3.47Å; W18-F117 VanDerWaalsContact CE3-CZ 3.47Å; W18-F117 HydrophobicContact CH2-CD1 4.43Å; W18-F117 AromaticContact CH2-CE1 3.3Å; W18-F117 HydrophobicContact CH2-CE1 3.3Å; W18-F117 AromaticContact CH2-CZ 3.56Å; W18-F117 HydrophobicContact CH2-CZ 3.56Å; W18-F117 HydrophobicContact CZ2-CE1 4.47Å; W18-F117 HydrophobicContact CZ3-CD1 4.4Å; W18-F117 AromaticContact CZ3-CE1 3.05Å; W18-F117 HydrophobicContact CZ3-CE1 3.05Å; W18-F117 HydrophobicContact CZ3-CE2 4.28Å; W18-F117 AromaticContact CZ3-CZ 2.98Å; W18-F117 HydrophobicContact CZ3-CZ 2.98Å; I20-F117 HydrophobicContact CD1-CE2 3.89Å; W67-F117 CarbonylContact C-O 3.5Å; W67-F117 WeakPolarHBondContact CA-O 3.4Å; W67-F117 VanDerWaalsContact CE3-C 3.49Å; T68-F117 HydrophobicContact CG2-CB 4.3Å; T68-F117 WeakPolarHBondContact CG2-O 3.01Å; T68-F117 PolarHBondContact N-O 3.28Å; T68-F117 PolarHBondContact OG1-N 3.36Å; T68-F117 PolarHBondContact OG1-O 3.07Å; L71-F117 HydrophobicContact CD1-CB 3.62Å; L71-F117 HydrophobicContact CD1-CG 4.43Å; I82-F117 HydrophobicContact CG1-CD1 4.43Å; I82-F117 HydrophobicContact CG1-CG 4.39Å; I82-F117 HydrophobicContact CG2-CE1 4.3Å; A85-F117 HydrophobicContact CB-CD1 3.75Å; A85-F117 HydrophobicContact CB-CE1 4.14Å; F115-F117 HydrophobicContact CD2-CB 4.32Å; F115-F117 HydrophobicContact CE2-CB 4.18Å; F115-F117 HydrophobicContact CE2-CD2 4.23Å; F117-C119 HydrophobicContact CE1-CB 4.23Å; F117-E134 VanDerWaalsContact CA-O 3.32Å; F117-E134 WeakPolarHBondContact CA-O 3.1Å; F117-E134 VanDerWaalsContact CD2-O 3.27Å; F117-E134 WeakPolarHBondContact CD2-O 3.22Å; F117-V135 HydrophobicContact CD2-CG2 3.76Å; F117-V135 HydrophobicContact CE2-CG2 4.18Å; F117-M184 HydrophobicContact CE1-CE 4.37Å; F117-M184 HydrophobicContact CE2-CE 3.59Å; F117-M184 HydrophobicContact CE2-SD 4.06Å; F117-M184 HydrophobicContact CZ-CE 3.48Å; F117-M184 VanDerWaalsContact CZ-CE 3.48Å; F117-M184 HydrophobicContact CZ-SD 4.17Å
118	R	97.7	Very high	93.5	Very high	48 Å²	48	42.6 Å²	42.6	18%	0.181	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	158.8	166.8	62.8	172.2	-178.8	-168.4	-2	111.3	W64 R65 W67 G133 E134	W64-R118 HydrophobicContact CD2-CG 4.4Å; W64-R118 HydrophobicContact CE3-CB 4.41Å; W64-R118 HydrophobicContact CE3-CG 3.71Å; W64-R118 HydrophobicContact CZ3-CG 4.09Å; R65-R118 WeakPolarHBondContact O-CB 3.41Å; W67-R118 HydrophobicContact CD2-CB 3.93Å; W67-R118 HydrophobicContact CD2-CG 3.82Å; W67-R118 VanDerWaalsContact CE2-CD 3.42Å; W67-R118 HydrophobicContact CE3-CB 3.88Å; W67-R118 HydrophobicContact CE3-CG 3.8Å; W67-R118 HydrophobicContact CG-CB 4.35Å; W67-R118 HydrophobicContact CH2-CG 3.83Å; W67-R118 HydrophobicContact CZ2-CG 3.83Å; W67-R118 VanDerWaalsContact CZ2-NE 3.34Å; W67-R118 HydrophobicContact CZ3-CB 4.32Å; W67-R118 HydrophobicContact CZ3-CG 3.81Å; R118-G133 CarbonylContact O-C 3.36Å; R118-G133 WeakPolarHBondContact O-CA 3.43Å; R118-E134 HydrophobicContact CG-CB 3.59Å; R118-E134 IonicContact CZ-OE2 3.66Å; R118-E134 PolarHBondContact N-O 2.03Å; R118-E134 IonicContact NE-OE2 3.53Å; R118-E134 PolarHBondContact NE-OE2 3.01Å; R118-E134 VanDerWaalsContact NH2-CD 3.34Å; R118-E134 IonicContact NH2-OE1 2.68Å; R118-E134 PolarHBondContact NH2-OE1 3.48Å; R118-E134 IonicContact NH2-OE2 2.82Å; R118-E134 PolarHBondContact NH2-OE2 3.36Å; R118-E134 PolarHBondContact O-N 3.28Å
119	C	96.9	Very high	93.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	144.5	-176.9	177.3	0	0	0	0	111.2	W18 R65 A85 C86 F117 D132	W18-C119 HydrophobicContact CE3-CB 4.43Å; W18-C119 HydrophobicContact CH2-CB 4.19Å; W18-C119 HydrophobicContact CZ3-CB 3.54Å; W18-C119 VanDerWaalsContact CZ3-SG 3.54Å; R65-C119 VanDerWaalsContact CB-O 3.31Å; R65-C119 WeakPolarHBondContact CB-O 3.36Å; R65-C119 PolarHBondContact N-O 2.03Å; A85-C119 VanDerWaalsContact O-CB 3.29Å; A85-C119 WeakPolarHBondContact O-CB 3.45Å; C86-C119 WeakPolarHBondContact CA-SG 3.49Å; C86-C119 HydrophobicContact CB-CB 3.94Å; C86-C119 WeakPolarHBondContact CB-SG 3.12Å; C86-C119 WeakPolarHBondContact SG-CB 3.46Å; C86-C119 CovalentContact SG-SG 2.02Å; C86-C119 PolarHBondContact SG-SG 3.28Å; F117-C119 HydrophobicContact CE1-CB 4.23Å; C119-D132 CarbonylContact C-O 3.54Å; C119-D132 WeakPolarHBondContact CA-O 3.48Å
120	R	94.8	Very high	92.8	Very high	51 Å²	51	35.7 Å²	35.7	19%	0.192	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	156.8	157.4	63	-175.5	177	165.7	-1.4	110.6	W61 K62 W64 L131 D132	W61-R120 HydrophobicContact CB-CG 4.43Å; W61-R120 HydrophobicContact CD2-CG 4.31Å; W61-R120 HydrophobicContact CE3-CG 4Å; K62-R120 WeakPolarHBondContact O-CB 3.29Å; W64-R120 HydrophobicContact CD2-CB 4.06Å; W64-R120 HydrophobicContact CD2-CG 4.15Å; W64-R120 HydrophobicContact CE3-CB 3.82Å; W64-R120 HydrophobicContact CE3-CG 3.88Å; W64-R120 HydrophobicContact CH2-CG 3.86Å; W64-R120 VanDerWaalsContact CZ2-CD 3.48Å; W64-R120 HydrophobicContact CZ2-CG 4.13Å; W64-R120 VanDerWaalsContact CZ2-NE 3.3Å; W64-R120 HydrophobicContact CZ3-CB 4.15Å; W64-R120 HydrophobicContact CZ3-CG 3.73Å; R120-L131 WeakPolarHBondContact O-CA 3.01Å; R120-D132 HydrophobicContact CG-CB 3.86Å; R120-D132 IonicContact CZ-OD2 3.46Å; R120-D132 PolarHBondContact N-O 2.93Å; R120-D132 IonicContact NE-OD2 2.8Å; R120-D132 PolarHBondContact NE-OD2 3.15Å; R120-D132 IonicContact NH2-OD2 3.31Å; R120-D132 PolarHBondContact NH2-OD2 3.43Å; R120-D132 PolarHBondContact O-N 2.83Å
121	R	93.8	Very high	92.5	Very high	56 Å²	56	35.4 Å²	35.4	21%	0.211	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	144.3	-175.7	-62.7	-173.6	52.7	-177.9	-0.5	110.2	F16 K62 C86 G87 P130 L131	F16-R121 VanDerWaalsContact CE2-NH2 3.34Å; K62-R121 WeakPolarHBondContact CB-O 3.38Å; K62-R121 VanDerWaalsContact CG-O 3.24Å; K62-R121 WeakPolarHBondContact CG-O 3.48Å; K62-R121 PolarHBondContact N-O 2.59Å; C86-R121 WeakPolarHBondContact O-CD 3.29Å; C86-R121 PolarHBondContact O-NH1 3.01Å; G87-R121 PolarHBondContact O-NH1 2.88Å; R121-P130 WeakPolarHBondContact CA-O 3.18Å; R121-L131 HydrophobicContact CB-CD2 4.49Å; R121-L131 HydrophobicContact CG-CD2 3.55Å
122	R	91.7	Very high	92.3	Very high	7 Å²	7	35.4 Å²	35.4	3%	0.026	17%	0.169	C	C	.	.			trans	-116.7	167.6	163	64.7	179.1	167.3	-157.8	-11.8	108.9	D53 C58 P59 A60 W61 Y129 P130	D53-R122 IonicContact OD1-CZ 3.5Å; D53-R122 IonicContact OD1-NH1 3.57Å; D53-R122 PolarHBondContact OD1-NH1 2.9Å; D53-R122 IonicContact OD1-NH2 3.6Å; D53-R122 PolarHBondContact OD1-NH2 2.7Å; C58-R122 VanDerWaalsContact CB-NH1 3.26Å; P59-R122 HydrophobicContact CB-CB 4.41Å; P59-R122 WeakPolarHBondContact O-CD 3.43Å; A60-R122 WeakPolarHBondContact O-CB 3.37Å; W61-R122 HydrophobicContact CD2-CB 4.29Å; W61-R122 HydrophobicContact CD2-CG 4.4Å; W61-R122 HydrophobicContact CE3-CB 3.74Å; W61-R122 HydrophobicContact CE3-CG 3.82Å; W61-R122 HydrophobicContact CH2-CG 3.97Å; W61-R122 VanDerWaalsContact CZ2-CZ 3.47Å; W61-R122 HydrophobicContact CZ3-CB 4.01Å; W61-R122 HydrophobicContact CZ3-CG 3.58Å; R122-Y129 PolarHBondContact NE-O 3.17Å; R122-Y129 PolarHBondContact NH2-O 3.33Å; R122-P130 PolarHBondContact N-O 3.49Å
123	D	87.7	Confident	92.1	Very high	91 Å²	91	34.7 Å²	34.7	49%	0.487	17%	0.166	S	C	.	.			trans	-67.4	143.7	173.9	-60.4	-30	0	0	0	109.8	P59 K62 A125	P59-D123 HydrophobicContact CB-CB 4.38Å; P59-D123 HydrophobicContact CG-CB 4.37Å; K62-D123 WeakPolarHBondContact CE-OD1 3.47Å; K62-D123 IonicContact NZ-OD1 2.89Å; K62-D123 PolarHBondContact NZ-OD1 3.13Å; D123-A125 PolarHBondContact O-N 3.06Å
124	N	75.4	Confident	91.9	Very high	85 Å²	85	35.1 Å²	35.1	46%	0.455	17%	0.167	S	C	.	.			trans	-65	121.8	-179.8	-75.8	-13.7	0	0	0	109.2	V14 F16 P130	V14-N124 PolarHBondContact O-ND2 2.78Å; F16-N124 WeakPolarHBondContact CE1-OD1 3.49Å; F16-N124 VanDerWaalsContact CZ-OD1 3.27Å; F16-N124 WeakPolarHBondContact CZ-OD1 3.46Å; N124-P130 WeakPolarHBondContact OD1-CB 3.42Å; N124-P130 WeakPolarHBondContact OD1-CG 3.43Å
125	A	85	Confident	91.9	Very high	34 Å²	34	35.6 Å²	35.6	28%	0.281	17%	0.171	S	C	.	.	B	Isolated β-bridge	trans	-134.6	154.3	172.5	0	0	0	0	0	109.9	P59 D123 D127 C128	P59-A125 HydrophobicContact CG-CB 4Å; D123-A125 PolarHBondContact O-N 3.06Å; A125-D127 PolarHBondContact O-N 3.33Å; A125-C128 HydrophobicContact CB-CB 3.85Å; A125-C128 WeakPolarHBondContact O-CB 3.48Å; A125-C128 PolarHBondContact O-N 2.86Å
126	K	84	Confident	91.8	Very high	171 Å²	171	38.9 Å²	38.9	74%	0.743	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	132.2	178.6	-174.7	-175.2	173.1	-177.3	0	109.5	C128	K126-C128 PolarHBondContact O-N 3.11Å
127	D	86.6	Confident	91.8	Very high	84 Å²	84	36.9 Å²	36.9	45%	0.449	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	1.1	-178.1	-56.7	-47.6	0	0	0	115.5	A125 Y176	A125-D127 PolarHBondContact O-N 3.33Å; D127-Y176 HydrophobicContact CB-CD1 4.44Å; D127-Y176 WeakPolarHBondContact O-CB 3.19Å; D127-Y176 WeakPolarHBondContact OD1-CD1 3.06Å
128	C	87.9	Confident	91.8	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.007	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-104	108.7	178.4	-61.4	0	0	0	0	110.6	H57 C58 A125 K126	H57-C128 VanDerWaalsContact CD2-SG 3.5Å; C58-C128 WeakPolarHBondContact CA-SG 3.42Å; C58-C128 HydrophobicContact CB-CB 3.81Å; C58-C128 WeakPolarHBondContact CB-SG 3.31Å; C58-C128 VanDerWaalsContact SG-CA 3.6Å; C58-C128 WeakPolarHBondContact SG-CB 3.34Å; C58-C128 CovalentContact SG-SG 2.04Å; C58-C128 PolarHBondContact SG-SG 3.24Å; A125-C128 HydrophobicContact CB-CB 3.85Å; A125-C128 WeakPolarHBondContact O-CB 3.48Å; A125-C128 PolarHBondContact O-N 2.86Å; K126-C128 PolarHBondContact O-N 3.11Å
129	Y	90	Very high	91.8	Very high	11 Å²	11	39.3 Å²	39.3	4%	0.043	20%	0.196	C	C	.	.			trans	-71	127.4	-176.1	-159.7	-83.1	0	0	0	112.7	A17 W61 R122 Y176 V177 Y181	A17-Y129 WeakPolarHBondContact CA-OH 3.49Å; A17-Y129 HydrophobicContact CB-CE1 4.27Å; A17-Y129 WeakPolarHBondContact CB-OH 3.46Å; A17-Y129 PolarHBondContact N-OH 3.07Å; A17-Y129 WeakPolarHBondContact O-CE1 3.42Å; A17-Y129 PolarHBondContact O-OH 3.33Å; W61-Y129 WeakPolarHBondContact CH2-O 3.48Å; R122-Y129 PolarHBondContact NE-O 3.17Å; R122-Y129 PolarHBondContact NH2-O 3.33Å; Y129-Y176 AromaticContact CD2-CD2 3.69Å; Y129-Y176 HydrophobicContact CD2-CD2 3.69Å; Y129-Y176 HydrophobicContact CD2-CE2 4.19Å; Y129-Y176 WeakPolarHBondContact CD2-O 3.5Å; Y129-Y176 HydrophobicContact CE2-CD2 4.5Å; Y129-V177 VanDerWaalsContact CE2-CA 3.49Å; Y129-V177 HydrophobicContact CE2-CB 4.14Å; Y129-V177 HydrophobicContact CE2-CG1 4.23Å; Y129-V177 HydrophobicContact CE2-CG2 4.13Å; Y129-Y181 VanDerWaalsContact OH-CD2 3.24Å; Y129-Y181 WeakPolarHBondContact OH-CD2 2.93Å; Y129-Y181 WeakPolarHBondContact OH-CE2 3.14Å
130	P	90.8	Very high	91.8	Very high	4 Å²	4	46.5 Å²	46.5	3%	0.026	24%	0.235	C	C	.	.			trans	-97.1	-3.3	-155.3	37.2	-44	0	0	0	119	F16 R121 R122 N124	F16-P130 HydrophobicContact CB-CG 3.95Å; F16-P130 HydrophobicContact CD1-CB 3.32Å; F16-P130 HydrophobicContact CD1-CG 3.19Å; F16-P130 HydrophobicContact CE1-CB 3.49Å; F16-P130 VanDerWaalsContact CE1-CB 3.49Å; F16-P130 HydrophobicContact CE1-CG 3.83Å; F16-P130 HydrophobicContact CG-CB 4.31Å; F16-P130 HydrophobicContact CG-CG 3.71Å; R121-P130 WeakPolarHBondContact CA-O 3.18Å; R122-P130 PolarHBondContact N-O 3.49Å; N124-P130 WeakPolarHBondContact OD1-CB 3.42Å; N124-P130 WeakPolarHBondContact OD1-CG 3.43Å
131	L	92.1	Very high	91.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	163	166.2	-35.3	165.9	0	0	0	108.2	F16 W18 P19 W61 C86 M88 R120 R121	F16-L131 HydrophobicContact CB-CD1 3.61Å; F16-L131 HydrophobicContact CB-CD2 3.64Å; F16-L131 HydrophobicContact CB-CG 3.55Å; F16-L131 HydrophobicContact CD1-CD2 3.19Å; F16-L131 HydrophobicContact CD1-CG 3.81Å; F16-L131 HydrophobicContact CE1-CD2 4.06Å; F16-L131 HydrophobicContact CG-CD2 3.69Å; F16-L131 HydrophobicContact CG-CG 4.12Å; W18-L131 WeakPolarHBondContact CA-O 3.01Å; W18-L131 HydrophobicContact CB-CB 4.2Å; W18-L131 HydrophobicContact CD2-CB 3.9Å; W18-L131 HydrophobicContact CD2-CD1 3.47Å; W18-L131 VanDerWaalsContact CD2-CD1 3.47Å; W18-L131 HydrophobicContact CD2-CG 4.31Å; W18-L131 HydrophobicContact CE3-CB 3.86Å; W18-L131 HydrophobicContact CE3-CD1 4Å; W18-L131 HydrophobicContact CG-CB 4.07Å; W18-L131 HydrophobicContact CG-CD1 3.85Å; W18-L131 HydrophobicContact CH2-CD1 4.42Å; W18-L131 HydrophobicContact CZ2-CD1 3.83Å; W18-L131 HydrophobicContact CZ3-CD1 4.45Å; W18-L131 PolarHBondContact N-O 2.75Å; P19-L131 WeakPolarHBondContact CD-O 3.34Å; W61-L131 VanDerWaalsContact CH2-C 3.42Å; W61-L131 VanDerWaalsContact CH2-O 3.25Å; W61-L131 WeakPolarHBondContact CH2-O 3.42Å; C86-L131 HydrophobicContact CB-CD1 4.47Å; C86-L131 HydrophobicContact CB-CD2 4.35Å; C86-L131 VanDerWaalsContact SG-CD1 3.56Å; M88-L131 HydrophobicContact SD-CD1 3.89Å; M88-L131 HydrophobicContact SD-CD2 4.12Å; R120-L131 WeakPolarHBondContact O-CA 3.01Å; R121-L131 HydrophobicContact CB-CD2 4.49Å; R121-L131 HydrophobicContact CG-CD2 3.55Å
132	D	93.7	Very high	92.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	136.1	162.9	-174.7	71.4	0	0	0	106.7	P19 W61 W64 C119 R120 K183	P19-D132 HydrophobicContact CG-CB 4.37Å; P19-D132 WeakPolarHBondContact CG-OD1 3.45Å; P19-D132 CarbonylContact O-C 3.33Å; P19-D132 WeakPolarHBondContact O-CA 3.01Å; W61-D132 HydrophobicContact CD2-CB 4.43Å; W61-D132 HydrophobicContact CE3-CB 4.23Å; W61-D132 HydrophobicContact CH2-CB 3.67Å; W61-D132 HydrophobicContact CZ2-CB 3.89Å; W61-D132 HydrophobicContact CZ3-CB 3.86Å; W64-D132 WeakPolarHBondContact CH2-OD2 3.32Å; C119-D132 CarbonylContact C-O 3.54Å; C119-D132 WeakPolarHBondContact CA-O 3.48Å; R120-D132 HydrophobicContact CG-CB 3.86Å; R120-D132 IonicContact CZ-OD2 3.46Å; R120-D132 PolarHBondContact N-O 2.93Å; R120-D132 IonicContact NE-OD2 2.8Å; R120-D132 PolarHBondContact NE-OD2 3.15Å; R120-D132 IonicContact NH2-OD2 3.31Å; R120-D132 PolarHBondContact NH2-OD2 3.43Å; R120-D132 PolarHBondContact O-N 2.83Å; D132-K183 IonicContact OD1-NZ 2.75Å; D132-K183 PolarHBondContact OD1-NZ 2.96Å
133	G	94	Very high	92.3	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	174	179.9	0	0	0	0	0	111.5	P19 I20 W64 R118	P19-G133 PolarHBondContact O-N 2.97Å; I20-G133 WeakPolarHBondContact CA-O 3.42Å; I20-G133 VanDerWaalsContact CG1-CA 3.43Å; I20-G133 WeakPolarHBondContact CG1-O 2.99Å; W64-G133 WeakPolarHBondContact CH2-O 3.49Å; R118-G133 CarbonylContact O-C 3.36Å; R118-G133 WeakPolarHBondContact O-CA 3.43Å
134	E	95.6	Very high	92.9	Very high	13 Å²	13	46.1 Å²	46.1	6%	0.061	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	147.1	160.9	-147.1	175.4	143.6	0	0	109.2	V21 W64 W67 F117 R118	V21-E134 WeakPolarHBondContact O-CG 3.25Å; W64-E134 HydrophobicContact CH2-CB 4.02Å; W64-E134 HydrophobicContact CZ3-CB 4Å; W67-E134 HydrophobicContact CH2-CB 3.77Å; W67-E134 HydrophobicContact CH2-CG 3.95Å; W67-E134 HydrophobicContact CZ2-CB 4.44Å; W67-E134 HydrophobicContact CZ3-CB 4.29Å; F117-E134 VanDerWaalsContact CA-O 3.32Å; F117-E134 WeakPolarHBondContact CA-O 3.1Å; F117-E134 VanDerWaalsContact CD2-O 3.27Å; F117-E134 WeakPolarHBondContact CD2-O 3.22Å; R118-E134 HydrophobicContact CG-CB 3.59Å; R118-E134 IonicContact CZ-OE2 3.66Å; R118-E134 PolarHBondContact N-O 2.03Å; R118-E134 IonicContact NE-OE2 3.53Å; R118-E134 PolarHBondContact NE-OE2 3.01Å; R118-E134 VanDerWaalsContact NH2-CD 3.34Å; R118-E134 IonicContact NH2-OE1 2.68Å; R118-E134 PolarHBondContact NH2-OE1 3.48Å; R118-E134 IonicContact NH2-OE2 2.82Å; R118-E134 PolarHBondContact NH2-OE2 3.36Å; R118-E134 PolarHBondContact O-N 3.28Å
135	V	96.8	Very high	94	Very high	11 Å²	11	42.3 Å²	42.3	7%	0.067	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	134.3	-179.9	167.9	0	0	0	0	109.2	I20 F115 K116 F117	I20-V135 HydrophobicContact CD1-CG2 4.06Å; F115-V135 HydrophobicContact CB-CG1 3.81Å; F115-V135 HydrophobicContact CD2-CB 4.42Å; F115-V135 HydrophobicContact CD2-CG1 3.77Å; F115-V135 HydrophobicContact CD2-CG2 3.91Å; F115-V135 HydrophobicContact CE2-CG2 4.11Å; F115-V135 HydrophobicContact CG-CG1 3.99Å; K116-V135 WeakPolarHBondContact O-CA 3.35Å; F117-V135 HydrophobicContact CD2-CG2 3.76Å; F117-V135 HydrophobicContact CE2-CG2 4.18Å
136	D	97.5	Very high	94.6	Very high	69 Å²	69	43.3 Å²	43.3	37%	0.369	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	128.1	172.1	176.6	28.7	0	0	0	109.3	W67 F115 K116	W67-D136 HydrophobicContact CH2-CB 3.8Å; W67-D136 HydrophobicContact CZ2-CB 4.5Å; W67-D136 HydrophobicContact CZ3-CB 3.81Å; F115-D136 CarbonylContact C-O 3.59Å; F115-D136 WeakPolarHBondContact CA-O 2.99Å; F115-D136 WeakPolarHBondContact CB-O 3.4Å; K116-D136 HydrophobicContact CB-CB 4.42Å; K116-D136 PolarHBondContact N-O 2.84Å; K116-D136 PolarHBondContact O-N 3.04Å
137	V	97.6	Very high	95.2	Very high	37 Å²	37	36.1 Å²	36.1	22%	0.224	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	130.3	-170.2	175.8	0	0	0	0	110.5	H112 H139 P189	H112-V137 HydrophobicContact CB-CG1 4.2Å; H112-V137 VanDerWaalsContact O-CG1 3.27Å; H112-V137 WeakPolarHBondContact O-CG1 3.38Å; V137-H139 PolarHBondContact O-CD2 3.45Å; V137-H139 VanDerWaalsContact O-CD2 3.27Å; V137-H139 PolarHBondContact O-N 2.67Å; V137-P189 HydrophobicContact CG2-CG 4.2Å
138	C	98	Very high	95.7	Very high	7 Å²	7	33.5 Å²	33.5	5%	0.047	18%	0.18	C	C	.	.			trans	-80.7	84.3	176.3	-62	0	0	0	0	110.6	C70 S114 D140 H141	C70-C138 VanDerWaalsContact CA-SG 3.59Å; C70-C138 HydrophobicContact CB-CB 3.96Å; C70-C138 WeakPolarHBondContact CB-SG 3.44Å; C70-C138 WeakPolarHBondContact SG-CB 3.29Å; C70-C138 CovalentContact SG-SG 2.04Å; C70-C138 PolarHBondContact SG-SG 2.81Å; S114-C138 PolarHBondContact O-N 2.72Å; C138-D140 PolarHBondContact O-N 3.01Å; C138-H141 PolarHBondContact O-N 3.19Å
139	H	97.7	Very high	96.2	Very high	93 Å²	93	37.1 Å²	37.1	43%	0.431	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-18.5	-176.1	-70.1	-72.7	0	0	0	114.6	H112 V137 H141 G142 Y207	H112-H139 AromaticContact CG-ND1 3.96Å; H112-H139 AromaticContact ND1-ND1 3.29Å; H112-H139 PolarHBondContact ND1-ND1 2.83Å; H112-H139 PolarHBondContact ND1-O 3.03Å; V137-H139 PolarHBondContact O-CD2 3.45Å; V137-H139 VanDerWaalsContact O-CD2 3.27Å; V137-H139 PolarHBondContact O-N 2.67Å; H139-H141 PolarHBondContact O-N 3.45Å; H139-H141 VanDerWaalsContact O-N 3.09Å; H139-G142 PolarHBondContact O-N 2.96Å; H139-Y207 AromaticContact CE1-CE2 3.64Å; H139-Y207 AromaticContact ND1-CE2 3.5Å
140	D	97.1	Very high	96.5	Very high	152 Å²	152	37.4 Å²	37.4	81%	0.813	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-20.8	174.1	-60.7	-24.2	0	0	0	113.1	C138 G142	C138-D140 PolarHBondContact O-N 3.01Å; D140-G142 PolarHBondContact O-N 3.36Å
141	H	97.4	Very high	96.7	Very high	51 Å²	51	40.8 Å²	40.8	24%	0.236	22%	0.22	C	C	.	.			trans	-101.1	51.4	177.6	-59.5	-51.4	0	0	0	111.7	M109 C110 G111 H112 C138 H139 Q143	M109-H141 HydrophobicContact CB-CB 3.89Å; C110-H141 CarbonylContact C-O 3.41Å; C110-H141 VanDerWaalsContact CA-O 3.31Å; C110-H141 WeakPolarHBondContact CA-O 3.36Å; G111-H141 PolarHBondContact N-O 3.16Å; H112-H141 PolarHBondContact N-O 2.9Å; C138-H141 PolarHBondContact O-N 3.19Å; H139-H141 PolarHBondContact O-N 3.45Å; H139-H141 VanDerWaalsContact O-N 3.09Å; H141-Q143 VanDerWaalsContact C-OE1 3.26Å
142	G	97	Very high	96.9	Very high	18 Å²	18	44 Å²	44	19%	0.186	24%	0.235	C	C	.	.			trans	-84	-13	-172.4	0	0	0	0	0	116.6	H112 H139 D140 I144	H112-G142 WeakPolarHBondContact CE1-CA 3.27Å; H112-G142 VanDerWaalsContact NE2-CA 3.3Å; H112-G142 WeakPolarHBondContact NE2-CA 3.03Å; H139-G142 PolarHBondContact O-N 2.96Å; D140-G142 PolarHBondContact O-N 3.36Å; G142-I144 PolarHBondContact O-N 3.43Å
143	Q	97.6	Very high	97	Very high	103 Å²	103	45.6 Å²	45.6	48%	0.481	24%	0.243	S	C	.	.	S	Bend	trans	-60.7	138.3	179.9	72.5	-72.7	0.2	0	0	111.4	M109 C110 G111 H141 C145	M109-Q143 PolarHBondContact O-NE2 2.92Å; C110-Q143 CarbonylContact C-O 3.52Å; C110-Q143 HydrophobicContact CB-CG 4.46Å; C110-Q143 VanDerWaalsContact CB-O 3.28Å; C110-Q143 WeakPolarHBondContact CB-O 3.37Å; G111-Q143 WeakPolarHBondContact CA-O 3.36Å; G111-Q143 PolarHBondContact N-O 3.26Å; H141-Q143 VanDerWaalsContact C-OE1 3.26Å; Q143-C145 PolarHBondContact O-N 3.26Å
144	I	98.4	Very high	97.2	Very high	24 Å²	24	45.8 Å²	45.8	12%	0.123	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-59.6	135.3	-170.5	-165.5	160.7	0	0	0	112.9	G142 K201 P209 T214	G142-I144 PolarHBondContact O-N 3.43Å; I144-K201 HydrophobicContact CD1-CB 3.74Å; I144-K201 HydrophobicContact CG1-CB 4.26Å; I144-P209 HydrophobicContact CD1-CB 3.87Å; I144-P209 HydrophobicContact CD1-CG 4.25Å; I144-T214 VanDerWaalsContact CG2-O 3.3Å; I144-T214 WeakPolarHBondContact CG2-O 3.29Å
145	C	98.5	Very high	97.2	Very high	5 Å²	5	45.5 Å²	45.5	3%	0.034	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	135.6	175.3	-68	0	0	0	0	110.8	C110 Q143 L147 K201 C202	C110-C145 HydrophobicContact CB-CB 4.08Å; C110-C145 WeakPolarHBondContact CB-SG 3.24Å; C110-C145 PolarHBondContact O-SG 2.7Å; C110-C145 WeakPolarHBondContact SG-CA 3.12Å; C110-C145 WeakPolarHBondContact SG-CB 3.47Å; C110-C145 CovalentContact SG-SG 2.04Å; C110-C145 PolarHBondContact SG-SG 3.27Å; Q143-C145 PolarHBondContact O-N 3.26Å; C145-L147 HydrophobicContact CB-CG 4.41Å; C145-K201 CarbonylContact O-C 3.56Å; C145-K201 VanDerWaalsContact O-CA 3.29Å; C145-K201 WeakPolarHBondContact O-CA 3.45Å; C145-C202 HydrophobicContact CB-CB 4.14Å; C145-C202 WeakPolarHBondContact CB-O 3.03Å; C145-C202 PolarHBondContact N-O 3.2Å; C145-C202 PolarHBondContact O-N 3.01Å
146	T	97.9	Very high	97.3	Very high	55 Å²	55	45 Å²	45	34%	0.337	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	115	168.5	-59.6	0	0	0	0	109.1	M199 C200 K201	T146-M199 HydrophobicContact CG2-CB 4.09Å; T146-M199 HydrophobicContact CG2-CE 3.76Å; T146-M199 HydrophobicContact CG2-CG 4.37Å; T146-C200 CarbonylContact C-O 3.4Å; T146-C200 WeakPolarHBondContact CA-O 3.37Å; T146-K201 HydrophobicContact CG2-CD 4.49Å; T146-K201 PolarHBondContact OG1-NZ 2.04Å
147	L	97.6	Very high	97.3	Very high	20 Å²	20	42.7 Å²	42.7	11%	0.105	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	149.4	-174.1	-64.3	172.3	0	0	0	110.9	P107 C145 Y157 C200 C202	P107-L147 HydrophobicContact CG-CD2 3.68Å; C145-L147 HydrophobicContact CB-CG 4.41Å; L147-Y157 HydrophobicContact CB-CD2 4.36Å; L147-Y157 HydrophobicContact CB-CE1 4.44Å; L147-Y157 HydrophobicContact CB-CE2 3.58Å; L147-Y157 HydrophobicContact CD1-CD1 3.96Å; L147-Y157 HydrophobicContact CD1-CD2 3.82Å; L147-Y157 HydrophobicContact CD1-CE1 3.94Å; L147-Y157 HydrophobicContact CD1-CE2 3.81Å; L147-Y157 HydrophobicContact CD1-CG 3.91Å; L147-Y157 HydrophobicContact CG-CE2 4.33Å; L147-C200 HydrophobicContact CB-CB 4.21Å; L147-C200 PolarHBondContact N-O 2.95Å; L147-C200 WeakPolarHBondContact O-CB 3.5Å; L147-C200 PolarHBondContact O-N 3.46Å; L147-C202 HydrophobicContact CD1-CB 4.41Å
148	P	97.2	Very high	97.3	Very high	29 Å²	29	41.4 Å²	41.4	19%	0.188	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-66.3	157.8	173.6	29.5	-35.5	0	0	0	110.9	L100 P101 A104 Y157	L100-P148 HydrophobicContact CB-CG 4.48Å; L100-P148 HydrophobicContact CD2-CG 4.07Å; P101-P148 HydrophobicContact CG-CB 4.26Å; P101-P148 HydrophobicContact CG-CG 4.18Å; A104-P148 HydrophobicContact CB-CG 4.1Å; P148-Y157 WeakPolarHBondContact O-CE2 3.31Å; P148-Y157 PolarHBondContact O-OH 2.8Å
149	K	97.1	Very high	97.2	Very high	78 Å²	78	41.1 Å²	41.1	34%	0.339	22%	0.219	S	C	.	.	P	Polyproline II helix	trans	-70.6	136.6	168.8	-70.5	168.8	63.7	176.6	0	109.6	E195 G198	K149-E195 HydrophobicContact CD-CG 4.41Å; K149-E195 WeakPolarHBondContact CE-OE1 3.4Å; K149-E195 IonicContact NZ-OE1 2.78Å; K149-E195 PolarHBondContact NZ-OE1 3.37Å; K149-E195 IonicContact NZ-OE2 2.68Å; K149-G198 WeakPolarHBondContact CD-O 3.43Å; K149-G198 WeakPolarHBondContact CG-O 3.04Å
150	L	96.7	Very high	97.1	Very high	16 Å²	16	38.1 Å²	38.1	8%	0.084	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-78	140.8	174	-59.2	179.1	0	0	0	109.9	H152 L153 G154 Y157 I160	L150-H152 PolarHBondContact O-N 2.68Å; L150-L153 HydrophobicContact CB-CB 4.2Å; L150-L153 HydrophobicContact CB-CD1 4.18Å; L150-L153 PolarHBondContact O-N 3.02Å; L150-G154 WeakPolarHBondContact CB-O 3.32Å; L150-G154 PolarHBondContact N-O 2.58Å; L150-G154 PolarHBondContact O-N 2.96Å; L150-Y157 HydrophobicContact CD1-CD1 4.32Å; L150-Y157 HydrophobicContact CD1-CE1 4.19Å; L150-Y157 HydrophobicContact CD2-CE1 3.88Å; L150-Y157 WeakPolarHBondContact CD2-OH 3.11Å; L150-Y157 HydrophobicContact CG-CE1 4.18Å; L150-Y157 HydrophobicContact CG-CE2 4.2Å; L150-I160 HydrophobicContact CD1-CD1 4.36Å; L150-I160 HydrophobicContact CD1-CG2 3.46Å; L150-I160 VanDerWaalsContact CD1-CG2 3.46Å
151	P	95.5	Very high	96.9	Very high	76 Å²	76	32.7 Å²	32.7	49%	0.494	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	128.6	174.9	-26.3	34.8	0	0	0	111	P101 L153	P101-P151 HydrophobicContact CB-CG 4.03Å; P151-L153 VanDerWaalsContact O-CD1 3.28Å; P151-L153 WeakPolarHBondContact O-CD1 3.36Å; P151-L153 PolarHBondContact O-N 2.99Å
152	H	95.9	Very high	96.9	Very high	67 Å²	67	31.2 Å²	31.2	31%	0.31	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.5	-30.9	-178.2	-43.4	-71.2	0	0	0	117	L150 W337 D338 T341	L150-H152 PolarHBondContact O-N 2.68Å; H152-W337 HydrophobicContact CB-CB 3.84Å; H152-W337 CarbonylContact O-C 3.59Å; H152-D338 VanDerWaalsContact CA-OD1 3.23Å; H152-D338 WeakPolarHBondContact CA-OD1 3.37Å; H152-D338 WeakPolarHBondContact CB-OD1 3.44Å; H152-D338 IonicContact CE1-OD2 3.54Å; H152-D338 IonicContact CG-OD1 3.38Å; H152-D338 VanDerWaalsContact ND1-CG 3.3Å; H152-D338 IonicContact ND1-OD1 3.02Å; H152-D338 PolarHBondContact ND1-OD1 3.2Å; H152-D338 IonicContact ND1-OD2 2.81Å; H152-D338 PolarHBondContact ND1-OD2 3.49Å; H152-T341 PolarHBondContact O-OG1 3.01Å
153	L	96.8	Very high	96.9	Very high	33 Å²	33	33.6 Å²	33.6	17%	0.173	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-10.5	-174.7	-51.5	120.1	0	0	0	113.5	L150 P151 C155 G156 F159 W337 M362	L150-L153 HydrophobicContact CB-CB 4.2Å; L150-L153 HydrophobicContact CB-CD1 4.18Å; L150-L153 PolarHBondContact O-N 3.02Å; P151-L153 VanDerWaalsContact O-CD1 3.28Å; P151-L153 WeakPolarHBondContact O-CD1 3.36Å; P151-L153 PolarHBondContact O-N 2.99Å; L153-C155 PolarHBondContact O-N 3.15Å; L153-G156 PolarHBondContact O-N 2.03Å; L153-F159 HydrophobicContact CB-CE2 4.12Å; L153-F159 HydrophobicContact CB-CZ 4.37Å; L153-F159 HydrophobicContact CD2-CD2 4.22Å; L153-F159 HydrophobicContact CD2-CE2 3.54Å; L153-F159 HydrophobicContact CG-CE2 4.44Å; L153-W337 HydrophobicContact CD2-CD2 4.07Å; L153-W337 HydrophobicContact CD2-CE3 4.12Å; L153-W337 HydrophobicContact CD2-CH2 4.27Å; L153-W337 HydrophobicContact CD2-CZ2 4.22Å; L153-W337 HydrophobicContact CD2-CZ3 4.2Å; L153-M362 HydrophobicContact CD2-SD 4.36Å
154	G	96.4	Very high	96.8	Very high	5 Å²	5	29.5 Å²	29.5	5%	0.052	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	60.6	-129	-174.7	0	0	0	0	0	111.2	L150 G156	L150-G154 WeakPolarHBondContact CB-O 3.32Å; L150-G154 PolarHBondContact N-O 2.58Å; L150-G154 PolarHBondContact O-N 2.96Å; G154-G156 PolarHBondContact O-N 2.77Å
155	C	97.6	Very high	96.7	Very high	6 Å²	6	29.8 Å²	29.8	4%	0.041	16%	0.157	C	C	.	.	S	Bend	trans	-79.4	53.9	176.1	-61.3	0	0	0	0	112.9	L153 Y157 C193 C200 R354	L153-C155 PolarHBondContact O-N 3.15Å; C155-Y157 VanDerWaalsContact C-N 3.3Å; C155-Y157 PolarHBondContact O-N 3.35Å; C155-C193 HydrophobicContact CB-CB 3.94Å; C155-C200 WeakPolarHBondContact CA-SG 3.36Å; C155-C200 HydrophobicContact CB-CB 3.74Å; C155-C200 WeakPolarHBondContact CB-SG 3.31Å; C155-C200 WeakPolarHBondContact SG-CA 3.35Å; C155-C200 WeakPolarHBondContact SG-CB 3.49Å; C155-C200 CovalentContact SG-SG 2.04Å; C155-C200 PolarHBondContact SG-SG 3.49Å; C155-R354 VanDerWaalsContact C-NH1 3.26Å; C155-R354 VanDerWaalsContact O-CZ 3.28Å; C155-R354 PolarHBondContact O-NH1 2.86Å; C155-R354 PolarHBondContact O-NH2 2.04Å
156	G	96.9	Very high	96.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.156	C	C	.	.			trans	-81.7	15.5	-166.6	0	0	0	0	0	117.4	L153 G154 A158 F159 I160	L153-G156 PolarHBondContact O-N 2.03Å; G154-G156 PolarHBondContact O-N 2.77Å; G156-A158 PolarHBondContact O-N 2.83Å; G156-A158 VanDerWaalsContact O-N 3.1Å; G156-F159 VanDerWaalsContact CA-CE1 3.5Å; G156-F159 PolarHBondContact O-N 2.89Å; G156-I160 WeakPolarHBondContact O-CG2 3.43Å; G156-I160 PolarHBondContact O-N 2.88Å
157	Y	97.7	Very high	96.7	Very high	22 Å²	22	27.3 Å²	27.3	9%	0.086	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-20.4	-171.6	-65.5	-79.3	0	0	0	115.1	L100 L147 P148 L150 C155 F159 I160 C200	L100-Y157 HydrophobicContact CD2-CE1 3.7Å; L100-Y157 VanDerWaalsContact CD2-OH 3.31Å; L100-Y157 WeakPolarHBondContact CD2-OH 3.49Å; L147-Y157 HydrophobicContact CB-CD2 4.36Å; L147-Y157 HydrophobicContact CB-CE1 4.44Å; L147-Y157 HydrophobicContact CB-CE2 3.58Å; L147-Y157 HydrophobicContact CD1-CD1 3.96Å; L147-Y157 HydrophobicContact CD1-CD2 3.82Å; L147-Y157 HydrophobicContact CD1-CE1 3.94Å; L147-Y157 HydrophobicContact CD1-CE2 3.81Å; L147-Y157 HydrophobicContact CD1-CG 3.91Å; L147-Y157 HydrophobicContact CG-CE2 4.33Å; P148-Y157 WeakPolarHBondContact O-CE2 3.31Å; P148-Y157 PolarHBondContact O-OH 2.8Å; L150-Y157 HydrophobicContact CD1-CD1 4.32Å; L150-Y157 HydrophobicContact CD1-CE1 4.19Å; L150-Y157 HydrophobicContact CD2-CE1 3.88Å; L150-Y157 WeakPolarHBondContact CD2-OH 3.11Å; L150-Y157 HydrophobicContact CG-CE1 4.18Å; L150-Y157 HydrophobicContact CG-CE2 4.2Å; C155-Y157 VanDerWaalsContact C-N 3.3Å; C155-Y157 PolarHBondContact O-N 3.35Å; Y157-F159 VanDerWaalsContact C-N 3.33Å; Y157-I160 HydrophobicContact CD1-CD1 4.06Å; Y157-C200 HydrophobicContact CD2-CB 4.48Å; Y157-C200 HydrophobicContact CE2-CB 4.12Å
158	A	97.5	Very high	96.6	Very high	9 Å²	9	26.9 Å²	26.9	7%	0.074	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-16.1	179.2	0	0	0	0	0	114.6	G156 K191 D355 K359	G156-A158 PolarHBondContact O-N 2.83Å; G156-A158 VanDerWaalsContact O-N 3.1Å; A158-K191 HydrophobicContact CB-CB 4.45Å; A158-K191 WeakPolarHBondContact CB-O 3.49Å; A158-D355 HydrophobicContact CB-CB 4.21Å; A158-D355 VanDerWaalsContact CB-CG 3.45Å; A158-D355 WeakPolarHBondContact CB-OD2 3.18Å; A158-K359 WeakPolarHBondContact O-CE 3.08Å
159	F	96.6	Very high	96.6	Very high	1 Å²	1	26.1 Å²	26.1	0%	0.004	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.1	-3.8	-171.9	54.4	-98.7	0	0	0	114.8	L153 G156 Y157 N161 E162 W337 A358 K359 M362	L153-F159 HydrophobicContact CB-CE2 4.12Å; L153-F159 HydrophobicContact CB-CZ 4.37Å; L153-F159 HydrophobicContact CD2-CD2 4.22Å; L153-F159 HydrophobicContact CD2-CE2 3.54Å; L153-F159 HydrophobicContact CG-CE2 4.44Å; G156-F159 VanDerWaalsContact CA-CE1 3.5Å; G156-F159 PolarHBondContact O-N 2.89Å; Y157-F159 VanDerWaalsContact C-N 3.33Å; F159-N161 PolarHBondContact O-N 2.92Å; F159-E162 VanDerWaalsContact O-CB 3.31Å; F159-E162 WeakPolarHBondContact O-CB 3.38Å; F159-E162 WeakPolarHBondContact O-CG 2.93Å; F159-E162 PolarHBondContact O-N 2.85Å; F159-E162 VanDerWaalsContact O-N 3.07Å; F159-W337 HydrophobicContact CD2-CH2 4.24Å; F159-W337 AromaticContact CE2-CH2 3.93Å; F159-W337 HydrophobicContact CE2-CH2 3.93Å; F159-W337 AromaticContact CE2-CZ3 3.8Å; F159-W337 HydrophobicContact CE2-CZ3 3.8Å; F159-W337 HydrophobicContact CZ-CZ3 4.27Å; F159-A358 HydrophobicContact CB-CB 4.43Å; F159-A358 HydrophobicContact CD1-CB 3.38Å; F159-A358 HydrophobicContact CD2-CB 3.85Å; F159-A358 HydrophobicContact CE1-CB 3.34Å; F159-A358 HydrophobicContact CE2-CB 3.8Å; F159-A358 HydrophobicContact CG-CB 3.64Å; F159-A358 HydrophobicContact CZ-CB 3.56Å; F159-K359 HydrophobicContact CB-CG 3.75Å; F159-M362 HydrophobicContact CD2-CG 4.05Å; F159-M362 HydrophobicContact CD2-SD 4.41Å
160	I	95.3	Very high	96.7	Very high	31 Å²	31	22.9 Å²	22.9	16%	0.159	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-30.1	171.3	54.6	176.3	0	0	0	112.8	M98 L150 G156 Y157 E162 K163	M98-I160 HydrophobicContact SD-CB 4.47Å; L150-I160 HydrophobicContact CD1-CD1 4.36Å; L150-I160 HydrophobicContact CD1-CG2 3.46Å; L150-I160 VanDerWaalsContact CD1-CG2 3.46Å; G156-I160 WeakPolarHBondContact O-CG2 3.43Å; G156-I160 PolarHBondContact O-N 2.88Å; Y157-I160 HydrophobicContact CD1-CD1 4.06Å; I160-E162 PolarHBondContact O-N 2.04Å; I160-E162 VanDerWaalsContact O-N 3.14Å; I160-K163 WeakPolarHBondContact O-CB 3.32Å; I160-K163 PolarHBondContact O-N 2.84Å; I160-K163 VanDerWaalsContact O-N 3.1Å
161	N	94.2	Very high	96.7	Very high	38 Å²	38	23.3 Å²	23.3	20%	0.203	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-17	177.5	66.5	-15.8	0	0	0	113.8	F159 K163 L164 K165	F159-N161 PolarHBondContact O-N 2.92Å; N161-K163 PolarHBondContact O-N 3.5Å; N161-L164 PolarHBondContact O-N 3.12Å; N161-L164 VanDerWaalsContact O-N 3.08Å; N161-K165 PolarHBondContact O-N 2.85Å
162	E	97.2	Very high	96.7	Very high	19 Å²	19	23.1 Å²	23.1	9%	0.089	12%	0.118	C	C	.	.	H	α-helix	trans	-58.9	-28.5	172.9	-66.1	-60.6	136	0	0	111.5	F159 I160 L164 K165 Q166 K359 M362 Q363	F159-E162 VanDerWaalsContact O-CB 3.31Å; F159-E162 WeakPolarHBondContact O-CB 3.38Å; F159-E162 WeakPolarHBondContact O-CG 2.93Å; F159-E162 PolarHBondContact O-N 2.85Å; F159-E162 VanDerWaalsContact O-N 3.07Å; I160-E162 PolarHBondContact O-N 2.04Å; I160-E162 VanDerWaalsContact O-N 3.14Å; E162-L164 VanDerWaalsContact C-N 3.35Å; E162-L164 PolarHBondContact O-N 3.25Å; E162-K165 PolarHBondContact O-N 2.75Å; E162-K165 WeakPolarHBondContact OE1-CD 3.5Å; E162-K165 IonicContact OE1-NZ 2.56Å; E162-K165 PolarHBondContact OE1-NZ 3.23Å; E162-Q166 WeakPolarHBondContact O-CB 3.41Å; E162-Q166 WeakPolarHBondContact O-CG 3.25Å; E162-Q166 PolarHBondContact O-N 3.38Å; E162-K359 HydrophobicContact CG-CG 4.34Å; E162-M362 HydrophobicContact CB-CB 3.81Å; E162-M362 HydrophobicContact CB-CE 3.9Å; E162-M362 HydrophobicContact CB-CG 4.09Å; E162-M362 HydrophobicContact CG-CB 4.15Å; E162-M362 HydrophobicContact CG-CG 4.38Å; E162-Q363 PolarHBondContact OE2-NE2 2.83Å
163	K	96.5	Very high	96.6	Very high	68 Å²	68	20.4 Å²	20.4	30%	0.296	11%	0.105	S	C	.	.	H	α-helix	trans	-58.9	-43.2	173.5	-174.3	176	-179.9	-177.1	0	112.2	V97 M98 I160 N161 M362 H381	V97-K163 HydrophobicContact CG1-CD 3.89Å; V97-K163 HydrophobicContact CG1-CG 4.36Å; V97-K163 WeakPolarHBondContact O-CD 3.5Å; V97-K163 PolarHBondContact O-NZ 2.88Å; M98-K163 HydrophobicContact CG-CD 4.35Å; M98-K163 HydrophobicContact SD-CB 4.37Å; I160-K163 WeakPolarHBondContact O-CB 3.32Å; I160-K163 PolarHBondContact O-N 2.84Å; I160-K163 VanDerWaalsContact O-N 3.1Å; N161-K163 PolarHBondContact O-N 3.5Å; K163-M362 HydrophobicContact CB-CE 4.47Å; K163-H381 PolarHBondContact O-CE1 2.84Å; K163-H381 PolarHBondContact O-NE2 3.17Å
164	L	95.8	Very high	96.4	Very high	18 Å²	18	20.7 Å²	20.7	9%	0.094	11%	0.109	C	C	.	.	H	α-helix	trans	-80.1	-38.3	177.5	-70.4	-172.6	0	0	0	112.5	L94 V97 M98 N161 E162 Q166 C167 F185 Y397	L94-L164 HydrophobicContact CD1-CD1 4.21Å; L94-L164 HydrophobicContact CD2-CD2 4.17Å; V97-L164 HydrophobicContact CG1-CD2 3.86Å; M98-L164 HydrophobicContact CE-CD1 3.27Å; M98-L164 HydrophobicContact CE-CG 3.6Å; M98-L164 HydrophobicContact SD-CD1 4.27Å; M98-L164 HydrophobicContact SD-CG 3.92Å; N161-L164 PolarHBondContact O-N 3.12Å; N161-L164 VanDerWaalsContact O-N 3.08Å; E162-L164 VanDerWaalsContact C-N 3.35Å; E162-L164 PolarHBondContact O-N 3.25Å; L164-Q166 PolarHBondContact O-N 2.68Å; L164-C167 VanDerWaalsContact O-CB 3.26Å; L164-C167 WeakPolarHBondContact O-CB 3.4Å; L164-C167 PolarHBondContact O-N 3Å; L164-C167 PolarHBondContact O-SG 2.91Å; L164-C167 VanDerWaalsContact O-SG 3.39Å; L164-F185 HydrophobicContact CB-CE1 3.77Å; L164-F185 HydrophobicContact CB-CZ 3.68Å; L164-F185 HydrophobicContact CD1-CE1 4.37Å; L164-Y397 HydrophobicContact CD2-CD2 4.01Å; L164-Y397 HydrophobicContact CD2-CE2 4.15Å
165	K	96.5	Very high	96.2	Very high	29 Å²	29	24.4 Å²	24.4	13%	0.126	14%	0.135	C	C	.	.	H	α-helix	trans	-55.1	-37	173.7	-72.7	174.4	173.9	-176.5	0	111.5	N161 E162 C167 F168 F185 E186	N161-K165 PolarHBondContact O-N 2.85Å; E162-K165 PolarHBondContact O-N 2.75Å; E162-K165 WeakPolarHBondContact OE1-CD 3.5Å; E162-K165 IonicContact OE1-NZ 2.56Å; E162-K165 PolarHBondContact OE1-NZ 3.23Å; K165-C167 PolarHBondContact O-N 3.34Å; K165-F168 PolarHBondContact O-N 2.84Å; K165-F168 VanDerWaalsContact O-N 3.15Å; K165-F185 HydrophobicContact CB-CD2 4.41Å; K165-F185 HydrophobicContact CD-CB 4.19Å; K165-F185 HydrophobicContact CD-CG 4.43Å; K165-F185 VanDerWaalsContact CE-CB 3.43Å; K165-F185 HydrophobicContact CG-CB 3.8Å; K165-F185 HydrophobicContact CG-CD1 4.01Å; K165-F185 HydrophobicContact CG-CD2 3.56Å; K165-F185 HydrophobicContact CG-CE1 4.48Å; K165-F185 HydrophobicContact CG-CE2 4.1Å; K165-F185 HydrophobicContact CG-CG 3.53Å; K165-E186 IonicContact NZ-OE1 3.81Å; K165-E186 PolarHBondContact NZ-OE1 2.93Å
166	Q	97.6	Very high	95.9	Very high	6 Å²	6	27.4 Å²	27.4	3%	0.028	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-65.8	-14.5	178.4	-76.9	175	19.8	0	0	114.8	E162 L164 F168 T169 M362 H381 P382	E162-Q166 WeakPolarHBondContact O-CB 3.41Å; E162-Q166 WeakPolarHBondContact O-CG 3.25Å; E162-Q166 PolarHBondContact O-N 3.38Å; L164-Q166 PolarHBondContact O-N 2.68Å; Q166-F168 PolarHBondContact O-N 2.87Å; Q166-T169 WeakPolarHBondContact CA-OG1 3.37Å; Q166-T169 HydrophobicContact CG-CG2 4.37Å; Q166-T169 PolarHBondContact O-N 3.47Å; Q166-T169 VanDerWaalsContact O-N 3.13Å; Q166-T169 PolarHBondContact O-OG1 2.79Å; Q166-M362 PolarHBondContact NE2-O 2.59Å; Q166-H381 PolarHBondContact OE1-CD2 3.42Å; Q166-P382 WeakPolarHBondContact O-CG 3.13Å
167	C	97.5	Very high	95.6	Very high	3 Å²	3	28 Å²	28	2%	0.02	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-57.1	-29.4	169.9	-64.4	0	0	0	0	112.2	L164 K165 C398	L164-C167 VanDerWaalsContact O-CB 3.26Å; L164-C167 WeakPolarHBondContact O-CB 3.4Å; L164-C167 PolarHBondContact O-N 3Å; L164-C167 PolarHBondContact O-SG 2.91Å; L164-C167 VanDerWaalsContact O-SG 3.39Å; K165-C167 PolarHBondContact O-N 3.34Å; C167-C398 VanDerWaalsContact CA-SG 3.52Å; C167-C398 HydrophobicContact CB-CB 3.49Å; C167-C398 VanDerWaalsContact CB-CB 3.49Å; C167-C398 WeakPolarHBondContact CB-SG 3.37Å; C167-C398 WeakPolarHBondContact SG-CA 3.41Å; C167-C398 WeakPolarHBondContact SG-CB 3.39Å; C167-C398 CovalentContact SG-SG 2.04Å; C167-C398 PolarHBondContact SG-SG 3.36Å
168	F	96	Very high	95.4	Very high	11 Å²	11	28.7 Å²	28.7	5%	0.048	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-101.3	21.7	-177.8	-49.7	-70.6	0	0	0	112.8	K165 Q166 T173 R178 Y181 F185	K165-F168 PolarHBondContact O-N 2.84Å; K165-F168 VanDerWaalsContact O-N 3.15Å; Q166-F168 PolarHBondContact O-N 2.87Å; F168-T173 HydrophobicContact CB-CG2 4.17Å; F168-T173 WeakPolarHBondContact O-CG2 3.3Å; F168-R178 PolarHBondContact O-NE 3.13Å; F168-Y181 HydrophobicContact CD1-CD1 4.36Å; F168-Y181 AromaticContact CD1-CD2 3.42Å; F168-Y181 HydrophobicContact CD1-CD2 3.42Å; F168-Y181 VanDerWaalsContact CD1-CD2 3.42Å; F168-Y181 AromaticContact CD1-CE2 3.62Å; F168-Y181 HydrophobicContact CD1-CE2 3.62Å; F168-Y181 AromaticContact CD1-CG 3.82Å; F168-Y181 HydrophobicContact CD1-CG 3.82Å; F168-Y181 AromaticContact CD2-CD1 3.84Å; F168-Y181 HydrophobicContact CD2-CD1 3.84Å; F168-Y181 HydrophobicContact CD2-CD2 4.12Å; F168-Y181 HydrophobicContact CD2-CE1 4.5Å; F168-Y181 AromaticContact CD2-CG 3.61Å; F168-Y181 HydrophobicContact CD2-CG 3.61Å; F168-Y181 AromaticContact CE1-CD1 3.84Å; F168-Y181 HydrophobicContact CE1-CD1 3.84Å; F168-Y181 AromaticContact CE1-CD2 3.38Å; F168-Y181 HydrophobicContact CE1-CD2 3.38Å; F168-Y181 AromaticContact CE1-CE1 3.62Å; F168-Y181 HydrophobicContact CE1-CE1 3.62Å; F168-Y181 AromaticContact CE1-CE2 3.13Å; F168-Y181 HydrophobicContact CE1-CE2 3.13Å; F168-Y181 AromaticContact CE1-CG 3.73Å; F168-Y181 HydrophobicContact CE1-CG 3.73Å; F168-Y181 AromaticContact CE1-CZ 3.26Å; F168-Y181 AromaticContact CE2-CD1 3.23Å; F168-Y181 HydrophobicContact CE2-CD1 3.23Å; F168-Y181 HydrophobicContact CE2-CD2 4.08Å; F168-Y181 AromaticContact CE2-CE1 3.58Å; F168-Y181 HydrophobicContact CE2-CE1 3.58Å; F168-Y181 HydrophobicContact CE2-CE2 4.37Å; F168-Y181 AromaticContact CE2-CG 3.5Å; F168-Y181 HydrophobicContact CE2-CG 3.5Å; F168-Y181 HydrophobicContact CG-CD1 4.37Å; F168-Y181 AromaticContact CG-CD2 3.81Å; F168-Y181 HydrophobicContact CG-CD2 3.81Å; F168-Y181 HydrophobicContact CG-CE2 4.41Å; F168-Y181 AromaticContact CG-CG 3.78Å; F168-Y181 HydrophobicContact CG-CG 3.78Å; F168-Y181 AromaticContact CZ-CD1 3.24Å; F168-Y181 HydrophobicContact CZ-CD1 3.24Å; F168-Y181 AromaticContact CZ-CD2 3.74Å; F168-Y181 HydrophobicContact CZ-CD2 3.74Å; F168-Y181 AromaticContact CZ-CE1 3.06Å; F168-Y181 HydrophobicContact CZ-CE1 3.06Å; F168-Y181 AromaticContact CZ-CE2 3.58Å; F168-Y181 HydrophobicContact CZ-CE2 3.58Å; F168-Y181 AromaticContact CZ-CG 3.58Å; F168-Y181 HydrophobicContact CZ-CG 3.58Å; F168-Y181 AromaticContact CZ-CZ 3.25Å; F168-F185 HydrophobicContact CD2-CE2 4.09Å; F168-F185 AromaticContact CE2-CE2 3.87Å; F168-F185 HydrophobicContact CE2-CE2 3.87Å; F168-F185 HydrophobicContact CE2-CZ 4.37Å
169	T	97.7	Very high	95.1	Very high	13 Å²	13	31.4 Å²	31.4	8%	0.08	17%	0.165	C	C	.	.			trans	-109.9	13.9	178.8	67.1	0	0	0	0	112.9	Q166 K302 K303 S304	Q166-T169 WeakPolarHBondContact CA-OG1 3.37Å; Q166-T169 HydrophobicContact CG-CG2 4.37Å; Q166-T169 PolarHBondContact O-N 3.47Å; Q166-T169 VanDerWaalsContact O-N 3.13Å; Q166-T169 PolarHBondContact O-OG1 2.79Å; T169-K302 WeakPolarHBondContact CB-O 3.33Å; T169-K302 WeakPolarHBondContact CG2-O 3.47Å; T169-K303 CarbonylContact O-C 3.55Å; T169-S304 PolarHBondContact O-N 3.05Å; T169-S304 PolarHBondContact O-OG 2.85Å
170	R	97.9	Very high	94.8	Very high	9 Å²	9	31.5 Å²	31.5	3%	0.034	17%	0.166	C	C	.	.	S	Bend	trans	-63.8	154.3	174.2	-60.3	156.5	47.9	172.3	-0.1	110.7	D172 T173 R178 P382 Y383 E403	R170-D172 WeakPolarHBondContact CB-OD1 3.05Å; R170-D172 IonicContact CZ-OD1 2.64Å; R170-D172 IonicContact CZ-OD2 4Å; R170-D172 IonicContact NE-OD1 3.36Å; R170-D172 PolarHBondContact NE-OD1 2.89Å; R170-D172 IonicContact NE-OD2 3.09Å; R170-D172 IonicContact NH2-OD1 2.69Å; R170-D172 IonicContact NH2-OD2 2.83Å; R170-D172 PolarHBondContact NH2-OD2 3.18Å; R170-D172 PolarHBondContact O-N 3.44Å; R170-T173 WeakPolarHBondContact CB-OG1 3.17Å; R170-T173 PolarHBondContact N-OG1 3.41Å; R170-T173 PolarHBondContact O-N 3.39Å; R170-R178 PolarHBondContact O-NH2 2.89Å; R170-R178 VanDerWaalsContact O-NH2 3.16Å; R170-P382 HydrophobicContact CG-CG 3.69Å; R170-Y383 HydrophobicContact CB-CE2 4.49Å; R170-Y383 WeakPolarHBondContact CB-OH 3.17Å; R170-Y383 HydrophobicContact CG-CE2 3.99Å; R170-Y383 WeakPolarHBondContact CG-OH 3.12Å; R170-E403 IonicContact CZ-OE1 3.62Å; R170-E403 IonicContact CZ-OE2 3.13Å; R170-E403 IonicContact NH1-OE1 2.81Å; R170-E403 PolarHBondContact NH1-OE1 3.1Å; R170-E403 IonicContact NH1-OE2 3.16Å; R170-E403 PolarHBondContact NH1-OE2 3.11Å; R170-E403 IonicContact NH2-OE1 2.67Å; R170-E403 PolarHBondContact NH2-OE1 2.73Å; R170-E403 IonicContact NH2-OE2 3.58Å
171	P	97.5	Very high	94.7	Very high	25 Å²	25	31.1 Å²	31.1	16%	0.162	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-36	176	20.3	-32.6	0	0	0	112.8	Y279 K303 S304	P171-Y279 HydrophobicContact CG-CD1 4.04Å; P171-Y279 HydrophobicContact CG-CE1 3.89Å; P171-K303 WeakPolarHBondContact O-CE 3.17Å; P171-K303 PolarHBondContact O-NZ 3.45Å; P171-S304 WeakPolarHBondContact CA-O 3.38Å; P171-S304 WeakPolarHBondContact CB-O 3.41Å; P171-S304 WeakPolarHBondContact CD-O 3.46Å
172	D	95.7	Very high	94.6	Very high	73 Å²	73	33.5 Å²	33.5	39%	0.39	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	1.1	-176.1	68.9	-27.2	0	0	0	114.3	R170 P174	R170-D172 WeakPolarHBondContact CB-OD1 3.05Å; R170-D172 IonicContact CZ-OD1 2.64Å; R170-D172 IonicContact CZ-OD2 4Å; R170-D172 IonicContact NE-OD1 3.36Å; R170-D172 PolarHBondContact NE-OD1 2.89Å; R170-D172 IonicContact NE-OD2 3.09Å; R170-D172 IonicContact NH2-OD1 2.69Å; R170-D172 IonicContact NH2-OD2 2.83Å; R170-D172 PolarHBondContact NH2-OD2 3.18Å; R170-D172 PolarHBondContact O-N 3.44Å; D172-P174 VanDerWaalsContact O-CD 3.23Å; D172-P174 WeakPolarHBondContact O-CD 3.4Å
173	T	94.5	Very high	94.4	Very high	9 Å²	9	35.2 Å²	35.2	6%	0.055	18%	0.176	C	C	.	.	S	Bend	trans	-71.7	119	175.3	-56.7	0	0	0	0	109.9	F168 R170 V177 R178	F168-T173 HydrophobicContact CB-CG2 4.17Å; F168-T173 WeakPolarHBondContact O-CG2 3.3Å; R170-T173 WeakPolarHBondContact CB-OG1 3.17Å; R170-T173 PolarHBondContact N-OG1 3.41Å; R170-T173 PolarHBondContact O-N 3.39Å; T173-V177 HydrophobicContact CG2-CB 4.25Å; T173-V177 HydrophobicContact CG2-CG1 4.17Å; T173-R178 HydrophobicContact CG2-CB 4.18Å
174	P	92.6	Very high	94.1	Very high	39 Å²	39	32.7 Å²	32.7	25%	0.253	17%	0.166	S	C	.	.			trans	-60.3	146.2	177	-22.7	34.3	0	0	0	111.7	D172 Y176 V177 R178	D172-P174 VanDerWaalsContact O-CD 3.23Å; D172-P174 WeakPolarHBondContact O-CD 3.4Å; P174-Y176 HydrophobicContact CB-CD1 3.56Å; P174-Y176 HydrophobicContact CB-CE1 3.32Å; P174-Y176 HydrophobicContact CG-CE1 4.01Å; P174-Y176 PolarHBondContact O-N 2.87Å; P174-V177 HydrophobicContact CB-CB 4.37Å; P174-V177 HydrophobicContact CB-CG2 4Å; P174-V177 HydrophobicContact CG-CG2 4.07Å; P174-V177 WeakPolarHBondContact O-CB 3.48Å; P174-V177 PolarHBondContact O-N 3.17Å; P174-V177 VanDerWaalsContact O-N 3.09Å; P174-R178 PolarHBondContact O-N 3.43Å
175	S	91.6	Very high	94	Very high	84 Å²	84	33.3 Å²	33.3	59%	0.587	17%	0.168	S	C	*	.	H	α-helix	trans	-58.6	-46.9	-176.4	-170.7	0	0	0	0	111.9	V177 R178 L179	S175-V177 PolarHBondContact O-N 3.35Å; S175-R178 PolarHBondContact O-N 3.15Å; S175-R178 VanDerWaalsContact O-N 3.12Å; S175-L179 WeakPolarHBondContact O-CB 3.35Å; S175-L179 VanDerWaalsContact O-CG 3.25Å; S175-L179 WeakPolarHBondContact O-CG 3.49Å; S175-L179 PolarHBondContact O-N 3.31Å
176	Y	90.4	Very high	93.8	Very high	68 Å²	68	34.2 Å²	34.2	27%	0.267	17%	0.172	S	C	.	.	H	α-helix	trans	-58.4	-35.7	178.2	77.1	-84.1	0	0	0	111.9	D127 Y129 P174 L179 G180	D127-Y176 HydrophobicContact CB-CD1 4.44Å; D127-Y176 WeakPolarHBondContact O-CB 3.19Å; D127-Y176 WeakPolarHBondContact OD1-CD1 3.06Å; Y129-Y176 AromaticContact CD2-CD2 3.69Å; Y129-Y176 HydrophobicContact CD2-CD2 3.69Å; Y129-Y176 HydrophobicContact CD2-CE2 4.19Å; Y129-Y176 WeakPolarHBondContact CD2-O 3.5Å; Y129-Y176 HydrophobicContact CE2-CD2 4.5Å; P174-Y176 HydrophobicContact CB-CD1 3.56Å; P174-Y176 HydrophobicContact CB-CE1 3.32Å; P174-Y176 HydrophobicContact CG-CE1 4.01Å; P174-Y176 PolarHBondContact O-N 2.87Å; Y176-L179 PolarHBondContact O-N 3.02Å; Y176-G180 PolarHBondContact O-N 3.33Å
177	V	92	Very high	93.5	Very high	14 Å²	14	34.7 Å²	34.7	9%	0.085	18%	0.176	C	C	.	.	H	α-helix	trans	-67.6	-46.5	175.5	179	0	0	0	0	112.4	Y129 T173 P174 S175 L179 G180 Y181	Y129-V177 VanDerWaalsContact CE2-CA 3.49Å; Y129-V177 HydrophobicContact CE2-CB 4.14Å; Y129-V177 HydrophobicContact CE2-CG1 4.23Å; Y129-V177 HydrophobicContact CE2-CG2 4.13Å; T173-V177 HydrophobicContact CG2-CB 4.25Å; T173-V177 HydrophobicContact CG2-CG1 4.17Å; P174-V177 HydrophobicContact CB-CB 4.37Å; P174-V177 HydrophobicContact CB-CG2 4Å; P174-V177 HydrophobicContact CG-CG2 4.07Å; P174-V177 WeakPolarHBondContact O-CB 3.48Å; P174-V177 PolarHBondContact O-N 3.17Å; P174-V177 VanDerWaalsContact O-N 3.09Å; S175-V177 PolarHBondContact O-N 3.35Å; V177-L179 VanDerWaalsContact C-N 3.29Å; V177-L179 PolarHBondContact O-N 3.34Å; V177-G180 PolarHBondContact O-N 2.81Å; V177-Y181 HydrophobicContact CG1-CD2 3.82Å; V177-Y181 HydrophobicContact CG1-CE2 3.94Å; V177-Y181 WeakPolarHBondContact O-CD2 3.41Å; V177-Y181 PolarHBondContact O-N 3.39Å
178	R	92.2	Very high	93.3	Very high	36 Å²	36	36.3 Å²	36.3	14%	0.136	18%	0.184	C	C	.	.	H	α-helix	trans	-60.2	-41.8	176	-178.6	-179.8	-65.4	167.3	5.9	111.5	F168 R170 T173 P174 S175 R182 W233	F168-R178 PolarHBondContact O-NE 3.13Å; R170-R178 PolarHBondContact O-NH2 2.89Å; R170-R178 VanDerWaalsContact O-NH2 3.16Å; T173-R178 HydrophobicContact CG2-CB 4.18Å; P174-R178 PolarHBondContact O-N 3.43Å; S175-R178 PolarHBondContact O-N 3.15Å; S175-R178 VanDerWaalsContact O-N 3.12Å; R178-R182 WeakPolarHBondContact O-CB 3.12Å; R178-R182 PolarHBondContact O-N 3.16Å; R178-W233 VanDerWaalsContact NH1-CH2 3.32Å
179	L	91.5	Very high	93.3	Very high	66 Å²	66	36.2 Å²	36.2	35%	0.346	19%	0.185	S	C	.	.	H	α-helix	trans	-69.7	-40.7	-179	-67.6	174.4	0	0	0	112.3	S175 Y176 V177 K183	S175-L179 WeakPolarHBondContact O-CB 3.35Å; S175-L179 VanDerWaalsContact O-CG 3.25Å; S175-L179 WeakPolarHBondContact O-CG 3.49Å; S175-L179 PolarHBondContact O-N 3.31Å; Y176-L179 PolarHBondContact O-N 3.02Å; V177-L179 VanDerWaalsContact C-N 3.29Å; V177-L179 PolarHBondContact O-N 3.34Å; L179-K183 PolarHBondContact O-N 3.34Å; L179-K183 VanDerWaalsContact O-N 3.12Å
180	G	91.4	Very high	93.3	Very high	3 Å²	3	40.4 Å²	40.4	3%	0.031	20%	0.202	C	C	.	.	H	α-helix	trans	-51.3	-75.1	166.9	0	0	0	0	0	109.7	A17 W18 Y176 V177 R182 K183 M184	A17-G180 CarbonylContact O-C 3.52Å; A17-G180 WeakPolarHBondContact O-CA 3.02Å; W18-G180 CarbonylContact C-O 3.58Å; W18-G180 CarbonylContact O-C 3.39Å; Y176-G180 PolarHBondContact O-N 3.33Å; V177-G180 PolarHBondContact O-N 2.81Å; G180-R182 CarbonylContact O-C 3.29Å; G180-R182 PolarHBondContact O-N 3.05Å; G180-K183 PolarHBondContact O-N 3.11Å; G180-M184 PolarHBondContact O-N 3.34Å
181	Y	92.1	Very high	93.3	Very high	23 Å²	23	41 Å²	41	9%	0.09	20%	0.204	C	C	.	.	H	α-helix	trans	-51.1	-34.3	-176.6	-84.7	-81.8	0	0	0	113.9	F16 A17 Y129 F168 V177 M184 F185	F16-Y181 PolarHBondContact O-OH 2.04Å; A17-Y181 HydrophobicContact CB-CD1 3.21Å; A17-Y181 HydrophobicContact CB-CD2 3.47Å; A17-Y181 VanDerWaalsContact CB-CD2 3.47Å; A17-Y181 HydrophobicContact CB-CE1 3Å; A17-Y181 HydrophobicContact CB-CE2 3.27Å; A17-Y181 HydrophobicContact CB-CG 3.45Å; A17-Y181 VanDerWaalsContact CB-CG 3.45Å; A17-Y181 PolarHBondContact O-N 2.63Å; Y129-Y181 VanDerWaalsContact OH-CD2 3.24Å; Y129-Y181 WeakPolarHBondContact OH-CD2 2.93Å; Y129-Y181 WeakPolarHBondContact OH-CE2 3.14Å; F168-Y181 HydrophobicContact CD1-CD1 4.36Å; F168-Y181 AromaticContact CD1-CD2 3.42Å; F168-Y181 HydrophobicContact CD1-CD2 3.42Å; F168-Y181 VanDerWaalsContact CD1-CD2 3.42Å; F168-Y181 AromaticContact CD1-CE2 3.62Å; F168-Y181 HydrophobicContact CD1-CE2 3.62Å; F168-Y181 AromaticContact CD1-CG 3.82Å; F168-Y181 HydrophobicContact CD1-CG 3.82Å; F168-Y181 AromaticContact CD2-CD1 3.84Å; F168-Y181 HydrophobicContact CD2-CD1 3.84Å; F168-Y181 HydrophobicContact CD2-CD2 4.12Å; F168-Y181 HydrophobicContact CD2-CE1 4.5Å; F168-Y181 AromaticContact CD2-CG 3.61Å; F168-Y181 HydrophobicContact CD2-CG 3.61Å; F168-Y181 AromaticContact CE1-CD1 3.84Å; F168-Y181 HydrophobicContact CE1-CD1 3.84Å; F168-Y181 AromaticContact CE1-CD2 3.38Å; F168-Y181 HydrophobicContact CE1-CD2 3.38Å; F168-Y181 AromaticContact CE1-CE1 3.62Å; F168-Y181 HydrophobicContact CE1-CE1 3.62Å; F168-Y181 AromaticContact CE1-CE2 3.13Å; F168-Y181 HydrophobicContact CE1-CE2 3.13Å; F168-Y181 AromaticContact CE1-CG 3.73Å; F168-Y181 HydrophobicContact CE1-CG 3.73Å; F168-Y181 AromaticContact CE1-CZ 3.26Å; F168-Y181 AromaticContact CE2-CD1 3.23Å; F168-Y181 HydrophobicContact CE2-CD1 3.23Å; F168-Y181 HydrophobicContact CE2-CD2 4.08Å; F168-Y181 AromaticContact CE2-CE1 3.58Å; F168-Y181 HydrophobicContact CE2-CE1 3.58Å; F168-Y181 HydrophobicContact CE2-CE2 4.37Å; F168-Y181 AromaticContact CE2-CG 3.5Å; F168-Y181 HydrophobicContact CE2-CG 3.5Å; F168-Y181 HydrophobicContact CG-CD1 4.37Å; F168-Y181 AromaticContact CG-CD2 3.81Å; F168-Y181 HydrophobicContact CG-CD2 3.81Å; F168-Y181 HydrophobicContact CG-CE2 4.41Å; F168-Y181 AromaticContact CG-CG 3.78Å; F168-Y181 HydrophobicContact CG-CG 3.78Å; F168-Y181 AromaticContact CZ-CD1 3.24Å; F168-Y181 HydrophobicContact CZ-CD1 3.24Å; F168-Y181 AromaticContact CZ-CD2 3.74Å; F168-Y181 HydrophobicContact CZ-CD2 3.74Å; F168-Y181 AromaticContact CZ-CE1 3.06Å; F168-Y181 HydrophobicContact CZ-CE1 3.06Å; F168-Y181 AromaticContact CZ-CE2 3.58Å; F168-Y181 HydrophobicContact CZ-CE2 3.58Å; F168-Y181 AromaticContact CZ-CG 3.58Å; F168-Y181 HydrophobicContact CZ-CG 3.58Å; F168-Y181 AromaticContact CZ-CZ 3.25Å; V177-Y181 HydrophobicContact CG1-CD2 3.82Å; V177-Y181 HydrophobicContact CG1-CE2 3.94Å; V177-Y181 WeakPolarHBondContact O-CD2 3.41Å; V177-Y181 PolarHBondContact O-N 3.39Å; Y181-M184 WeakPolarHBondContact O-CB 3.41Å; Y181-M184 PolarHBondContact O-N 3.04Å; Y181-F185 HydrophobicContact CD1-CE2 4.37Å; Y181-F185 WeakPolarHBondContact O-CD2 3.4Å; Y181-F185 PolarHBondContact O-N 3.1Å; Y181-F185 VanDerWaalsContact O-N 3.07Å
182	R	92.3	Very high	93.3	Very high	88 Å²	88	41.2 Å²	41.2	33%	0.332	20%	0.204	S	C	.	.	H	α-helix	trans	-59.2	-47.9	173.2	-177.6	178.8	71.4	173.9	8	112.6	R178 G180 M184 F185 E186	R178-R182 WeakPolarHBondContact O-CB 3.12Å; R178-R182 PolarHBondContact O-N 3.16Å; G180-R182 CarbonylContact O-C 3.29Å; G180-R182 PolarHBondContact O-N 3.05Å; R182-M184 VanDerWaalsContact C-N 3.25Å; R182-M184 PolarHBondContact O-N 3.02Å; R182-F185 PolarHBondContact O-N 3.11Å; R182-F185 VanDerWaalsContact O-N 3.16Å; R182-E186 HydrophobicContact CG-CG 4.21Å; R182-E186 WeakPolarHBondContact O-CB 3.28Å; R182-E186 VanDerWaalsContact O-CG 3.25Å; R182-E186 WeakPolarHBondContact O-CG 3.38Å; R182-E186 PolarHBondContact O-N 2.83Å
183	K	92.3	Very high	93.5	Very high	54 Å²	54	38 Å²	38	24%	0.235	19%	0.186	C	C	.	.	H	α-helix	trans	-66.7	-28.5	-178	-176.1	168.6	152.6	-102.1	0	110.9	P19 I20 D53 D132 L179 G180 S187	P19-K183 VanDerWaalsContact C-CE 3.44Å; P19-K183 VanDerWaalsContact CA-CB 3.47Å; P19-K183 HydrophobicContact CB-CB 3.6Å; P19-K183 HydrophobicContact CB-CD 3.05Å; P19-K183 VanDerWaalsContact CB-CE 3.42Å; P19-K183 HydrophobicContact CB-CG 3.49Å; P19-K183 VanDerWaalsContact CB-CG 3.49Å; P19-K183 HydrophobicContact CG-CD 4.39Å; I20-K183 VanDerWaalsContact C-CE 3.42Å; I20-K183 VanDerWaalsContact N-CD 3.29Å; I20-K183 WeakPolarHBondContact O-CE 3Å; D53-K183 IonicContact OD2-NZ 3.33Å; D132-K183 IonicContact OD1-NZ 2.75Å; D132-K183 PolarHBondContact OD1-NZ 2.96Å; L179-K183 PolarHBondContact O-N 3.34Å; L179-K183 VanDerWaalsContact O-N 3.12Å; G180-K183 PolarHBondContact O-N 3.11Å; K183-S187 PolarHBondContact O-N 3.19Å
184	M	90.9	Very high	93.6	Very high	16 Å²	16	39.4 Å²	39.4	8%	0.079	19%	0.193	C	C	.	.	H	α-helix	trans	-59.3	-58.6	161.7	-91.3	-46.3	-111.4	0	0	115.1	W18 I20 I82 F117 G180 Y181 R182 E186 S187	W18-M184 HydrophobicContact CB-CB 4.41Å; W18-M184 HydrophobicContact CB-CE 4.13Å; W18-M184 HydrophobicContact CB-CG 3.16Å; W18-M184 HydrophobicContact CB-SD 3.16Å; W18-M184 WeakPolarHBondContact CB-SD 3.46Å; W18-M184 VanDerWaalsContact CD1-SD 3.53Å; W18-M184 HydrophobicContact CD2-CE 3.13Å; W18-M184 HydrophobicContact CD2-CG 3.83Å; W18-M184 HydrophobicContact CD2-SD 3.43Å; W18-M184 HydrophobicContact CE3-CE 3.58Å; W18-M184 HydrophobicContact CE3-SD 3.88Å; W18-M184 HydrophobicContact CG-CB 4.37Å; W18-M184 HydrophobicContact CG-CE 3.4Å; W18-M184 VanDerWaalsContact CG-CE 3.4Å; W18-M184 HydrophobicContact CG-CG 2.95Å; W18-M184 HydrophobicContact CG-SD 3.09Å; W18-M184 HydrophobicContact CH2-CE 3.89Å; W18-M184 HydrophobicContact CZ2-CE 3.64Å; W18-M184 HydrophobicContact CZ3-CE 3.88Å; W18-M184 PolarHBondContact O-N 3.49Å; W18-M184 VanDerWaalsContact O-N 3.16Å; I20-M184 HydrophobicContact CD1-SD 3.43Å; I20-M184 WeakPolarHBondContact CD1-SD 3.29Å; I20-M184 HydrophobicContact CG1-SD 4.45Å; I82-M184 HydrophobicContact CG2-CE 3.56Å; F117-M184 HydrophobicContact CE1-CE 4.37Å; F117-M184 HydrophobicContact CE2-CE 3.59Å; F117-M184 HydrophobicContact CE2-SD 4.06Å; F117-M184 HydrophobicContact CZ-CE 3.48Å; F117-M184 VanDerWaalsContact CZ-CE 3.48Å; F117-M184 HydrophobicContact CZ-SD 4.17Å; G180-M184 PolarHBondContact O-N 3.34Å; Y181-M184 WeakPolarHBondContact O-CB 3.41Å; Y181-M184 PolarHBondContact O-N 3.04Å; R182-M184 VanDerWaalsContact C-N 3.25Å; R182-M184 PolarHBondContact O-N 3.02Å; M184-E186 PolarHBondContact O-N 2.69Å; M184-E186 VanDerWaalsContact O-N 3.13Å; M184-S187 WeakPolarHBondContact O-CB 3.33Å; M184-S187 PolarHBondContact O-N 3.33Å; M184-S187 PolarHBondContact O-OG 2.96Å
185	F	93.5	Very high	93.8	Very high	31 Å²	31	40.7 Å²	40.7	14%	0.136	20%	0.196	C	C	.	.	H	α-helix	trans	-62.8	-27.7	-170.9	-79.7	-71.2	0	0	0	111.4	L164 K165 F168 Y181 R182 I188	L164-F185 HydrophobicContact CB-CE1 3.77Å; L164-F185 HydrophobicContact CB-CZ 3.68Å; L164-F185 HydrophobicContact CD1-CE1 4.37Å; K165-F185 HydrophobicContact CB-CD2 4.41Å; K165-F185 HydrophobicContact CD-CB 4.19Å; K165-F185 HydrophobicContact CD-CG 4.43Å; K165-F185 VanDerWaalsContact CE-CB 3.43Å; K165-F185 HydrophobicContact CG-CB 3.8Å; K165-F185 HydrophobicContact CG-CD1 4.01Å; K165-F185 HydrophobicContact CG-CD2 3.56Å; K165-F185 HydrophobicContact CG-CE1 4.48Å; K165-F185 HydrophobicContact CG-CE2 4.1Å; K165-F185 HydrophobicContact CG-CG 3.53Å; F168-F185 HydrophobicContact CD2-CE2 4.09Å; F168-F185 AromaticContact CE2-CE2 3.87Å; F168-F185 HydrophobicContact CE2-CE2 3.87Å; F168-F185 HydrophobicContact CE2-CZ 4.37Å; Y181-F185 HydrophobicContact CD1-CE2 4.37Å; Y181-F185 WeakPolarHBondContact O-CD2 3.4Å; Y181-F185 PolarHBondContact O-N 3.1Å; Y181-F185 VanDerWaalsContact O-N 3.07Å; R182-F185 PolarHBondContact O-N 3.11Å; R182-F185 VanDerWaalsContact O-N 3.16Å; F185-I188 HydrophobicContact CD1-CD1 4.46Å
186	E	92.1	Very high	94.1	Very high	48 Å²	48	40.3 Å²	40.3	22%	0.224	18%	0.184	C	C	.	.	H	α-helix	trans	-77.9	-18	177.8	-66.4	-69.2	155.1	0	0	113.9	K165 R182 M184 K190 K299	K165-E186 IonicContact NZ-OE1 3.81Å; K165-E186 PolarHBondContact NZ-OE1 2.93Å; R182-E186 HydrophobicContact CG-CG 4.21Å; R182-E186 WeakPolarHBondContact O-CB 3.28Å; R182-E186 VanDerWaalsContact O-CG 3.25Å; R182-E186 WeakPolarHBondContact O-CG 3.38Å; R182-E186 PolarHBondContact O-N 2.83Å; M184-E186 PolarHBondContact O-N 2.69Å; M184-E186 VanDerWaalsContact O-N 3.13Å; E186-K190 WeakPolarHBondContact OE2-CE 3.35Å; E186-K190 IonicContact OE2-NZ 3.8Å; E186-K190 PolarHBondContact OE2-NZ 2.83Å; E186-K299 IonicContact OE1-NZ 3.47Å; E186-K299 PolarHBondContact OE1-NZ 3.04Å; E186-K299 IonicContact OE2-NZ 3.87Å
187	S	91.9	Very high	94.3	Very high	15 Å²	15	45.2 Å²	45.2	11%	0.105	21%	0.214	C	C	.	.	H	α-helix	trans	-79.8	-26	175.2	73.5	0	0	0	0	114.2	I20 K183 M184	I20-S187 WeakPolarHBondContact CD1-OG 3.44Å; K183-S187 PolarHBondContact O-N 3.19Å; M184-S187 WeakPolarHBondContact O-CB 3.33Å; M184-S187 PolarHBondContact O-N 3.33Å; M184-S187 PolarHBondContact O-OG 2.96Å
188	I	93.5	Very high	94.4	Very high	38 Å²	38	46.6 Å²	46.6	20%	0.195	23%	0.231	C	C	.	.	S	Bend	trans	-62.8	130.2	178.7	-61.9	175.3	0	0	0	107.2	F115 F185 K190	F115-I188 HydrophobicContact CE1-CG2 4.24Å; F115-I188 HydrophobicContact CZ-CG1 4.44Å; F185-I188 HydrophobicContact CD1-CD1 4.46Å; I188-K190 PolarHBondContact O-N 3.39Å; I188-K190 VanDerWaalsContact O-N 3.1Å
189	P	96.4	Very high	94.7	Very high	9 Å²	9	48.3 Å²	48.3	6%	0.058	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-48.6	121.7	-177.5	-30.1	35.2	0	0	0	111.5	F115 V137 K191 C204	F115-P189 HydrophobicContact CB-CG 4.03Å; F115-P189 VanDerWaalsContact CD1-CD 3.42Å; F115-P189 HydrophobicContact CD1-CG 3.75Å; F115-P189 HydrophobicContact CG-CG 4.09Å; V137-P189 HydrophobicContact CG2-CG 4.2Å; P189-K191 WeakPolarHBondContact O-CD 3.3Å; P189-K191 WeakPolarHBondContact O-CE 3.4Å; P189-K191 PolarHBondContact O-NZ 3.04Å; P189-C204 HydrophobicContact CB-CB 3.71Å
190	K	96.7	Very high	95	Very high	100 Å²	100	45.1 Å²	45.1	44%	0.435	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-76.4	128.7	-175.2	-69.4	174.1	178.8	171.7	0	109.1	E186 I188 C204 G205	E186-K190 WeakPolarHBondContact OE2-CE 3.35Å; E186-K190 IonicContact OE2-NZ 3.8Å; E186-K190 PolarHBondContact OE2-NZ 2.83Å; I188-K190 PolarHBondContact O-N 3.39Å; I188-K190 VanDerWaalsContact O-N 3.1Å; K190-C204 CarbonylContact O-C 3.55Å; K190-C204 WeakPolarHBondContact O-CA 3.4Å; K190-C204 WeakPolarHBondContact O-CB 3.27Å; K190-G205 PolarHBondContact O-N 2.91Å
191	K	98.1	Very high	95.3	Very high	21 Å²	21	47.1 Å²	47.1	9%	0.091	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	139.9	-174.1	-72.3	72.3	-171	163.6	0	109.3	Y73 A158 P189 C203	Y73-K191 WeakPolarHBondContact OH-CE 3.06Å; Y73-K191 PolarHBondContact OH-NZ 2.56Å; Y73-K191 VanDerWaalsContact OH-NZ 3.11Å; A158-K191 HydrophobicContact CB-CB 4.45Å; A158-K191 WeakPolarHBondContact CB-O 3.49Å; P189-K191 WeakPolarHBondContact O-CD 3.3Å; P189-K191 WeakPolarHBondContact O-CE 3.4Å; P189-K191 PolarHBondContact O-NZ 3.04Å; K191-C203 WeakPolarHBondContact CA-O 3.2Å
192	H	98.2	Very high	95.6	Very high	31 Å²	31	46.1 Å²	46.1	14%	0.144	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	121.7	171.4	-53.4	-60.2	0	0	0	107.6	C202 C203 G205 Y207 E208 H351	H192-C202 WeakPolarHBondContact O-CA 3.29Å; H192-C203 PolarHBondContact N-O 3.1Å; H192-C203 PolarHBondContact O-N 2.97Å; H192-G205 PolarHBondContact CD2-O 3.42Å; H192-G205 PolarHBondContact NE2-O 2.86Å; H192-Y207 PolarHBondContact CD2-O 3.48Å; H192-E208 HydrophobicContact CB-CG 4.2Å; H192-H351 AromaticContact CG-CE1 3.73Å; H192-H351 AromaticContact ND1-CE1 3.48Å; H192-H351 PolarHBondContact ND1-CE1 3.48Å; H192-H351 AromaticContact ND1-ND1 3.66Å
193	C	98.3	Very high	95.9	Very high	4 Å²	4	41.9 Å²	41.9	3%	0.027	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	140.9	-170.3	-62.6	0	0	0	0	112.5	C155 K201 C202 H351	C155-C193 HydrophobicContact CB-CB 3.94Å; C193-K201 VanDerWaalsContact CA-O 3.29Å; C193-K201 WeakPolarHBondContact CA-O 3.45Å; C193-C202 HydrophobicContact CB-CB 4.12Å; C193-C202 WeakPolarHBondContact CB-SG 3.21Å; C193-C202 WeakPolarHBondContact SG-CB 3.34Å; C193-C202 CovalentContact SG-SG 2.04Å; C193-C202 PolarHBondContact SG-SG 3.14Å; C193-H351 WeakPolarHBondContact O-CB 3.34Å
194	I	97.8	Very high	96.2	Very high	40 Å²	40	39.4 Å²	39.4	21%	0.205	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	155.7	168.3	66.2	173.6	0	0	0	110.7	K196 C200 K201 P209 N210	I194-K196 HydrophobicContact CD1-CG 4.12Å; I194-K196 HydrophobicContact CG1-CG 4.33Å; I194-C200 WeakPolarHBondContact O-CA 3.47Å; I194-K201 HydrophobicContact CG1-CB 4Å; I194-K201 PolarHBondContact N-O 2.96Å; I194-K201 PolarHBondContact O-N 2.86Å; I194-P209 HydrophobicContact CD1-CB 3.77Å; I194-P209 HydrophobicContact CG1-CB 3.79Å; I194-P209 HydrophobicContact CG1-CG 4.24Å; I194-P209 HydrophobicContact CG2-CB 4.41Å; I194-N210 VanDerWaalsContact CD1-O 3.32Å; I194-N210 WeakPolarHBondContact CD1-O 3.29Å
195	E	97.4	Very high	96.4	Very high	66 Å²	66	40.2 Å²	40.2	31%	0.308	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	124.1	175.1	-173.5	171.3	156.3	0	0	110.2	K149 M199 K345	K149-E195 HydrophobicContact CD-CG 4.41Å; K149-E195 WeakPolarHBondContact CE-OE1 3.4Å; K149-E195 IonicContact NZ-OE1 2.78Å; K149-E195 PolarHBondContact NZ-OE1 3.37Å; K149-E195 IonicContact NZ-OE2 2.68Å; E195-M199 WeakPolarHBondContact CA-O 3.39Å; E195-K345 IonicContact OE1-NZ 3.53Å; E195-K345 PolarHBondContact OE1-NZ 3.14Å; E195-K345 WeakPolarHBondContact OE2-CE 3.37Å; E195-K345 IonicContact OE2-NZ 3.51Å; E195-K345 PolarHBondContact OE2-NZ 2.97Å
196	K	96.9	Very high	96.6	Very high	76 Å²	76	43.4 Å²	43.4	33%	0.33	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	128.9	174.9	-69.3	-67.8	-175.9	172.9	0	109.9	I194 G198 M199 K201 E211	I194-K196 HydrophobicContact CD1-CG 4.12Å; I194-K196 HydrophobicContact CG1-CG 4.33Å; K196-G198 VanDerWaalsContact C-N 3.25Å; K196-G198 PolarHBondContact O-N 2.92Å; K196-M199 PolarHBondContact N-O 3.28Å; K196-M199 PolarHBondContact O-N 3.2Å; K196-M199 VanDerWaalsContact O-O 3.12Å; K196-K201 HydrophobicContact CB-CG 4.05Å; K196-K201 HydrophobicContact CG-CG 4.36Å; K196-E211 WeakPolarHBondContact CE-O 3.27Å; K196-E211 PolarHBondContact NZ-O 2.9Å
197	N	94.5	Very high	96.8	Very high	170 Å²	170	43.7 Å²	43.7	91%	0.909	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.6	43.8	178.2	-58.5	-18.8	0	0	0	113.3	M199	N197-M199 PolarHBondContact O-N 3.48Å
198	G	95	Very high	97.1	Very high	43 Å²	43	44.3 Å²	44.3	44%	0.443	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	1.5	179.7	0	0	0	0	0	115.6	K149 K196	K149-G198 WeakPolarHBondContact CD-O 3.43Å; K149-G198 WeakPolarHBondContact CG-O 3.04Å; K196-G198 VanDerWaalsContact C-N 3.25Å; K196-G198 PolarHBondContact O-N 2.92Å
199	M	97.1	Very high	97.4	Very high	72 Å²	72	43.3 Å²	43.3	36%	0.355	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	161.1	179.3	-63.2	-63.6	-75.7	0	0	111.3	T146 E195 K196 N197	T146-M199 HydrophobicContact CG2-CB 4.09Å; T146-M199 HydrophobicContact CG2-CE 3.76Å; T146-M199 HydrophobicContact CG2-CG 4.37Å; E195-M199 WeakPolarHBondContact CA-O 3.39Å; K196-M199 PolarHBondContact N-O 3.28Å; K196-M199 PolarHBondContact O-N 3.2Å; K196-M199 VanDerWaalsContact O-O 3.12Å; N197-M199 PolarHBondContact O-N 3.48Å
200	C	98.2	Very high	97.4	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	124.8	175.9	-59.1	0	0	0	0	110.2	T146 L147 C155 Y157 I194	T146-C200 CarbonylContact C-O 3.4Å; T146-C200 WeakPolarHBondContact CA-O 3.37Å; L147-C200 HydrophobicContact CB-CB 4.21Å; L147-C200 PolarHBondContact N-O 2.95Å; L147-C200 WeakPolarHBondContact O-CB 3.5Å; L147-C200 PolarHBondContact O-N 3.46Å; C155-C200 WeakPolarHBondContact CA-SG 3.36Å; C155-C200 HydrophobicContact CB-CB 3.74Å; C155-C200 WeakPolarHBondContact CB-SG 3.31Å; C155-C200 WeakPolarHBondContact SG-CA 3.35Å; C155-C200 WeakPolarHBondContact SG-CB 3.49Å; C155-C200 CovalentContact SG-SG 2.04Å; C155-C200 PolarHBondContact SG-SG 3.49Å; Y157-C200 HydrophobicContact CD2-CB 4.48Å; Y157-C200 HydrophobicContact CE2-CB 4.12Å; I194-C200 WeakPolarHBondContact O-CA 3.47Å
201	K	98.5	Very high	97.4	Very high	45 Å²	45	47.9 Å²	47.9	20%	0.196	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	116.1	176.2	-60.2	-62.8	-175.2	171.6	0	107.9	I144 C145 T146 C193 I194 K196 P209 G213	I144-K201 HydrophobicContact CD1-CB 3.74Å; I144-K201 HydrophobicContact CG1-CB 4.26Å; C145-K201 CarbonylContact O-C 3.56Å; C145-K201 VanDerWaalsContact O-CA 3.29Å; C145-K201 WeakPolarHBondContact O-CA 3.45Å; T146-K201 HydrophobicContact CG2-CD 4.49Å; T146-K201 PolarHBondContact OG1-NZ 2.04Å; C193-K201 VanDerWaalsContact CA-O 3.29Å; C193-K201 WeakPolarHBondContact CA-O 3.45Å; I194-K201 HydrophobicContact CG1-CB 4Å; I194-K201 PolarHBondContact N-O 2.96Å; I194-K201 PolarHBondContact O-N 2.86Å; K196-K201 HydrophobicContact CB-CG 4.05Å; K196-K201 HydrophobicContact CG-CG 4.36Å; K201-P209 VanDerWaalsContact O-CG 3.26Å; K201-P209 WeakPolarHBondContact O-CG 3.43Å; K201-G213 WeakPolarHBondContact CD-O 3.22Å; K201-G213 WeakPolarHBondContact CG-O 3.26Å
202	C	98.6	Very high	97.3	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.007	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	143.4	-168.1	-55.5	0	0	0	0	113.4	C145 L147 H192 C193	C145-C202 HydrophobicContact CB-CB 4.14Å; C145-C202 WeakPolarHBondContact CB-O 3.03Å; C145-C202 PolarHBondContact N-O 3.2Å; C145-C202 PolarHBondContact O-N 3.01Å; L147-C202 HydrophobicContact CD1-CB 4.41Å; H192-C202 WeakPolarHBondContact O-CA 3.29Å; C193-C202 HydrophobicContact CB-CB 4.12Å; C193-C202 WeakPolarHBondContact CB-SG 3.21Å; C193-C202 WeakPolarHBondContact SG-CB 3.34Å; C193-C202 CovalentContact SG-SG 2.04Å; C193-C202 PolarHBondContact SG-SG 3.14Å
203	C	98.6	Very high	97.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	172	170	-54.2	0	0	0	0	108.9	G111 K191 H192 Y207 P209 C216	G111-C203 CarbonylContact O-C 2.92Å; G111-C203 VanDerWaalsContact O-CA 3.31Å; G111-C203 WeakPolarHBondContact O-CA 3.37Å; K191-C203 WeakPolarHBondContact CA-O 3.2Å; H192-C203 PolarHBondContact N-O 3.1Å; H192-C203 PolarHBondContact O-N 2.97Å; C203-Y207 CarbonylContact C-O 3.55Å; C203-Y207 WeakPolarHBondContact CB-O 3.31Å; C203-P209 HydrophobicContact CB-CG 4.46Å; C203-C216 HydrophobicContact CB-CB 3.88Å; C203-C216 WeakPolarHBondContact CB-SG 3.24Å; C203-C216 WeakPolarHBondContact SG-CA 3.4Å; C203-C216 WeakPolarHBondContact SG-CB 3.42Å; C203-C216 CovalentContact SG-SG 2.03Å; C203-C216 PolarHBondContact SG-SG 2.94Å
204	C	98.3	Very high	97.2	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.014	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	155.6	-178	-74.4	0	0	0	0	114.5	G111 H112 C113 P189 K190 D206 Y207	G111-C204 PolarHBondContact O-N 2.77Å; H112-C204 WeakPolarHBondContact O-CB 3.28Å; C113-C204 WeakPolarHBondContact CA-SG 3.31Å; C113-C204 HydrophobicContact CB-CB 3.85Å; C113-C204 WeakPolarHBondContact CB-SG 3.33Å; C113-C204 WeakPolarHBondContact SG-CB 3.07Å; C113-C204 CovalentContact SG-SG 2.03Å; C113-C204 PolarHBondContact SG-SG 2.96Å; P189-C204 HydrophobicContact CB-CB 3.71Å; K190-C204 CarbonylContact O-C 3.55Å; K190-C204 WeakPolarHBondContact O-CA 3.4Å; K190-C204 WeakPolarHBondContact O-CB 3.27Å; C204-D206 PolarHBondContact O-N 3.22Å; C204-Y207 PolarHBondContact N-O 3.48Å; C204-Y207 PolarHBondContact O-N 3.39Å
205	G	95.1	Very high	97.2	Very high	32 Å²	32	55.7 Å²	55.7	33%	0.33	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	70	-121.1	172.7	0	0	0	0	0	111.3	K190 H192 Y207	K190-G205 PolarHBondContact O-N 2.91Å; H192-G205 PolarHBondContact CD2-O 3.42Å; H192-G205 PolarHBondContact NE2-O 2.86Å; G205-Y207 VanDerWaalsContact C-N 3.26Å
206	D	96.5	Very high	97.3	Very high	98 Å²	98	53.5 Å²	53.5	52%	0.524	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-6.2	177.2	-63.9	-10	0	0	0	113.1	C204 K218 P219	C204-D206 PolarHBondContact O-N 3.22Å; D206-K218 HydrophobicContact CB-CD 4.25Å; D206-K218 HydrophobicContact CB-CG 4.3Å; D206-K218 IonicContact OD2-NZ 2.71Å; D206-K218 PolarHBondContact OD2-NZ 3.44Å; D206-P219 WeakPolarHBondContact O-CD 3.36Å
207	Y	98.2	Very high	97.3	Very high	55 Å²	55	52.4 Å²	52.4	22%	0.216	29%	0.294	C	S	.	.			trans	-101.8	134.1	-179.1	-69.6	-97.3	0	0	0	111	H112 H139 H192 C203 C204 G205 C216 V217 K218	H112-Y207 HydrophobicContact CB-CD2 4.02Å; H112-Y207 HydrophobicContact CB-CG 4.43Å; H112-Y207 AromaticContact CD2-CD1 3.51Å; H112-Y207 AromaticContact CD2-CD2 3.59Å; H112-Y207 AromaticContact CD2-CG 3.25Å; H112-Y207 AromaticContact CE1-CE1 3.73Å; H112-Y207 AromaticContact CE1-CE2 3.98Å; H112-Y207 AromaticContact CE1-CZ 3.7Å; H112-Y207 AromaticContact CG-CD2 3.62Å; H112-Y207 AromaticContact CG-CE2 3.97Å; H112-Y207 AromaticContact CG-CG 3.81Å; H112-Y207 AromaticContact ND1-CE2 3.9Å; H112-Y207 AromaticContact NE2-CD1 3.31Å; H112-Y207 VanDerWaalsContact NE2-CD1 3.31Å; H112-Y207 WeakPolarHBondContact NE2-CD1 3.5Å; H112-Y207 AromaticContact NE2-CE1 3.45Å; H112-Y207 WeakPolarHBondContact NE2-CE1 3.01Å; H112-Y207 AromaticContact NE2-CG 3.6Å; H112-Y207 AromaticContact NE2-CZ 3.87Å; H139-Y207 AromaticContact CE1-CE2 3.64Å; H139-Y207 AromaticContact ND1-CE2 3.5Å; H192-Y207 PolarHBondContact CD2-O 3.48Å; C203-Y207 CarbonylContact C-O 3.55Å; C203-Y207 WeakPolarHBondContact CB-O 3.31Å; C204-Y207 PolarHBondContact N-O 3.48Å; C204-Y207 PolarHBondContact O-N 3.39Å; G205-Y207 VanDerWaalsContact C-N 3.26Å; Y207-C216 HydrophobicContact CD1-CB 4.26Å; Y207-V217 CarbonylContact C-O 3.13Å; Y207-V217 WeakPolarHBondContact CA-O 3.45Å; Y207-K218 HydrophobicContact CD1-CB 4.12Å; Y207-K218 HydrophobicContact CE1-CB 4Å
208	E	98.3	Very high	97.5	Very high	28 Å²	28	50.2 Å²	50.2	13%	0.131	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	151.2	179.2	-61.8	-173.2	-169.4	0	0	110.4	H192 N210 V217 P219 H222 H351	H192-E208 HydrophobicContact CB-CG 4.2Å; E208-N210 PolarHBondContact O-N 2.89Å; E208-V217 PolarHBondContact N-O 2.86Å; E208-V217 WeakPolarHBondContact O-CG2 3.49Å; E208-V217 PolarHBondContact O-N 2.88Å; E208-P219 HydrophobicContact CB-CG 4.49Å; E208-P219 HydrophobicContact CG-CG 4.18Å; E208-H222 IonicContact OE1-CD2 3.55Å; E208-H222 IonicContact OE1-CE1 2.73Å; E208-H222 IonicContact OE1-NE2 2.77Å; E208-H222 PolarHBondContact OE1-NE2 3.1Å; E208-H351 VanDerWaalsContact CD-NE2 3.31Å; E208-H351 IonicContact OE1-CE1 2.7Å; E208-H351 IonicContact OE1-NE2 3.65Å; E208-H351 IonicContact OE2-CD2 2.77Å; E208-H351 IonicContact OE2-CE1 2.9Å; E208-H351 PolarHBondContact OE2-CE1 3.31Å; E208-H351 IonicContact OE2-NE2 3.02Å; E208-H351 PolarHBondContact OE2-NE2 2.84Å
209	P	98.3	Very high	97.5	Very high	16 Å²	16	50 Å²	50	10%	0.104	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	135.8	171.4	-25.1	35.5	0	0	0	111.5	I144 I194 K201 C203	I144-P209 HydrophobicContact CD1-CB 3.87Å; I144-P209 HydrophobicContact CD1-CG 4.25Å; I194-P209 HydrophobicContact CD1-CB 3.77Å; I194-P209 HydrophobicContact CG1-CB 3.79Å; I194-P209 HydrophobicContact CG1-CG 4.24Å; I194-P209 HydrophobicContact CG2-CB 4.41Å; K201-P209 VanDerWaalsContact O-CG 3.26Å; K201-P209 WeakPolarHBondContact O-CG 3.43Å; C203-P209 HydrophobicContact CB-CG 4.46Å
210	N	97.4	Very high	97.4	Very high	23 Å²	23	52.1 Å²	52.1	12%	0.123	29%	0.286	C	S	.	.			trans	-64.5	170.5	165.7	72.3	-7.6	0	0	0	111.6	I194 E208 S212 G213 T214 E215 V217	I194-N210 VanDerWaalsContact CD1-O 3.32Å; I194-N210 WeakPolarHBondContact CD1-O 3.29Å; E208-N210 PolarHBondContact O-N 2.89Å; N210-S212 PolarHBondContact ND2-OG 2.97Å; N210-S212 VanDerWaalsContact ND2-OG 3.1Å; N210-S212 PolarHBondContact O-N 2.94Å; N210-S212 VanDerWaalsContact O-N 3.14Å; N210-S212 PolarHBondContact OD1-OG 3.18Å; N210-S212 VanDerWaalsContact OD1-OG 3.1Å; N210-G213 PolarHBondContact O-N 3.1Å; N210-G213 WeakPolarHBondContact OD1-CA 3.46Å; N210-G213 PolarHBondContact OD1-N 3.21Å; N210-T214 PolarHBondContact ND2-OG1 3.35Å; N210-T214 VanDerWaalsContact ND2-OG1 3.1Å; N210-T214 PolarHBondContact OD1-N 3.07Å; N210-E215 HydrophobicContact CB-CG 4.04Å; N210-E215 PolarHBondContact N-O 3.22Å; N210-E215 VanDerWaalsContact ND2-CD 3.33Å; N210-E215 WeakPolarHBondContact ND2-CG 3.34Å; N210-E215 PolarHBondContact ND2-OE1 2.98Å; N210-E215 PolarHBondContact OD1-N 3.24Å; N210-V217 HydrophobicContact CB-CG1 4.08Å; N210-V217 HydrophobicContact CB-CG2 4.29Å
211	E	95.5	Very high	97.3	Very high	183 Å²	183	55.6 Å²	55.6	86%	0.855	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-31.1	-175.5	-65.6	-173.4	170.9	0	0	114.1	K196	K196-E211 WeakPolarHBondContact CE-O 3.27Å; K196-E211 PolarHBondContact NZ-O 2.9Å
212	S	96.4	Very high	97.1	Very high	61 Å²	61	56.4 Å²	56.4	43%	0.427	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-16.8	177.7	54.5	0	0	0	0	113.4	N210 T214	N210-S212 PolarHBondContact ND2-OG 2.97Å; N210-S212 VanDerWaalsContact ND2-OG 3.1Å; N210-S212 PolarHBondContact O-N 2.94Å; N210-S212 VanDerWaalsContact O-N 3.14Å; N210-S212 PolarHBondContact OD1-OG 3.18Å; N210-S212 VanDerWaalsContact OD1-OG 3.1Å; S212-T214 PolarHBondContact OG-OG1 2.8Å
213	G	97.4	Very high	96.9	Very high	2 Å²	2	62.2 Å²	62.2	2%	0.021	35%	0.35	C	S	.	.	S	Bend	trans	69.4	36.7	-174.7	0	0	0	0	0	113.3	K201 N210	K201-G213 WeakPolarHBondContact CD-O 3.22Å; K201-G213 WeakPolarHBondContact CG-O 3.26Å; N210-G213 PolarHBondContact O-N 3.1Å; N210-G213 WeakPolarHBondContact OD1-CA 3.46Å; N210-G213 PolarHBondContact OD1-N 3.21Å
214	T	97.7	Very high	96.8	Very high	94 Å²	94	64.4 Å²	64.4	58%	0.577	37%	0.365	S	S	*	.	S	Bend	trans	-110.1	-25.9	-178.4	56.1	0	0	0	0	113.3	I144 N210 S212	I144-T214 VanDerWaalsContact CG2-O 3.3Å; I144-T214 WeakPolarHBondContact CG2-O 3.29Å; N210-T214 PolarHBondContact ND2-OG1 3.35Å; N210-T214 VanDerWaalsContact ND2-OG1 3.1Å; N210-T214 PolarHBondContact OD1-N 3.07Å; S212-T214 PolarHBondContact OG-OG1 2.8Å
215	E	98	Very high	96.8	Very high	103 Å²	103	66.2 Å²	66.2	48%	0.481	38%	0.376	S	S	.	.	S	Bend	trans	-141.1	159.6	-178.7	87	-153	141.8	0	0	112	N210 V217	N210-E215 HydrophobicContact CB-CG 4.04Å; N210-E215 PolarHBondContact N-O 3.22Å; N210-E215 VanDerWaalsContact ND2-CD 3.33Å; N210-E215 WeakPolarHBondContact ND2-CG 3.34Å; N210-E215 PolarHBondContact ND2-OE1 2.98Å; N210-E215 PolarHBondContact OD1-N 3.24Å; E215-V217 HydrophobicContact CG-CG1 3.59Å
216	C	98.6	Very high	96.8	Very high	19 Å²	19	69 Å²	69	13%	0.128	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	117.5	170.8	-69.2	0	0	0	0	109.3	C203 Y207	C203-C216 HydrophobicContact CB-CB 3.88Å; C203-C216 WeakPolarHBondContact CB-SG 3.24Å; C203-C216 WeakPolarHBondContact SG-CA 3.4Å; C203-C216 WeakPolarHBondContact SG-CB 3.42Å; C203-C216 CovalentContact SG-SG 2.03Å; C203-C216 PolarHBondContact SG-SG 2.94Å; Y207-C216 HydrophobicContact CD1-CB 4.26Å
217	V	98	Very high	96.7	Very high	54 Å²	54	67.6 Å²	67.6	33%	0.327	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	147.8	178.1	-64	0	0	0	0	109.8	Y207 E208 N210 E215 P219	Y207-V217 CarbonylContact C-O 3.13Å; Y207-V217 WeakPolarHBondContact CA-O 3.45Å; E208-V217 PolarHBondContact N-O 2.86Å; E208-V217 WeakPolarHBondContact O-CG2 3.49Å; E208-V217 PolarHBondContact O-N 2.88Å; N210-V217 HydrophobicContact CB-CG1 4.08Å; N210-V217 HydrophobicContact CB-CG2 4.29Å; E215-V217 HydrophobicContact CG-CG1 3.59Å; V217-P219 WeakPolarHBondContact O-CD 3.26Å
218	K	97.6	Very high	96.5	Very high	124 Å²	124	66.5 Å²	66.5	54%	0.539	39%	0.392	S	S	.	.			trans	-94	97.4	171.2	-175.8	167.1	-176.6	159.5	0	108.3	D206 Y207	D206-K218 HydrophobicContact CB-CD 4.25Å; D206-K218 HydrophobicContact CB-CG 4.3Å; D206-K218 IonicContact OD2-NZ 2.71Å; D206-K218 PolarHBondContact OD2-NZ 3.44Å; Y207-K218 HydrophobicContact CD1-CB 4.12Å; Y207-K218 HydrophobicContact CE1-CB 4Å
219	P	95.5	Very high	96.2	Very high	37 Å²	37	70.7 Å²	70.7	24%	0.24	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-61.7	163.6	174	27.8	-36	0	0	0	110.8	D206 E208 V217 A221	D206-P219 WeakPolarHBondContact O-CD 3.36Å; E208-P219 HydrophobicContact CB-CG 4.49Å; E208-P219 HydrophobicContact CG-CG 4.18Å; V217-P219 WeakPolarHBondContact O-CD 3.26Å; P219-A221 PolarHBondContact O-N 3.23Å
220	P	95.4	Very high	95.8	Very high	117 Å²	117	73.1 Å²	73.1	76%	0.76	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-49.7	143.2	164.1	-24.2	34.3	0	0	0	110.3	H222	P220-H222 PolarHBondContact O-N 3.1Å
221	A	95.1	Very high	95.5	Very high	73 Å²	73	73.5 Å²	73.5	60%	0.603	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-55.5	130.4	179.1	0	0	0	0	0	110	P219 D223	P219-A221 PolarHBondContact O-N 3.23Å; A221-D223 WeakPolarHBondContact CB-OD1 3.42Å; A221-D223 PolarHBondContact O-N 3.1Å; A221-D223 VanDerWaalsContact O-N 3.1Å
222	H	94.4	Very high	95.5	Very high	62 Å²	62	71.5 Å²	71.5	29%	0.287	44%	0.437	S	S	.	.			trans	-63.5	-18.6	-178.2	-64.5	-60	0	0	0	112.8	E208 P220 C224 K292	E208-H222 IonicContact OE1-CD2 3.55Å; E208-H222 IonicContact OE1-CE1 2.73Å; E208-H222 IonicContact OE1-NE2 2.77Å; E208-H222 PolarHBondContact OE1-NE2 3.1Å; P220-H222 PolarHBondContact O-N 3.1Å; H222-C224 VanDerWaalsContact C-N 3.25Å; H222-C224 PolarHBondContact O-N 2.8Å; H222-K292 WeakPolarHBondContact O-CD 3.43Å; H222-K292 VanDerWaalsContact O-CE 3.22Å; H222-K292 WeakPolarHBondContact O-CE 3.34Å; H222-K292 PolarHBondContact O-NZ 3.14Å
223	D	95	Very high	95.5	Very high	123 Å²	123	72.1 Å²	72.1	66%	0.658	43%	0.43	S	S	*	.			trans	43.6	52.4	178.9	-66.3	-24	0	0	0	112.1	A221 K292	A221-D223 WeakPolarHBondContact CB-OD1 3.42Å; A221-D223 PolarHBondContact O-N 3.1Å; A221-D223 VanDerWaalsContact O-N 3.1Å; D223-K292 VanDerWaalsContact CB-NZ 3.33Å; D223-K292 WeakPolarHBondContact O-CD 3.17Å; D223-K292 PolarHBondContact O-NZ 3.15Å
224	C	96.6	Very high	95.6	Very high	47 Å²	47	72.4 Å²	72.4	32%	0.318	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-61.9	143.1	-174.1	-61.9	0	0	0	0	111.5	H222 R289 C295	H222-C224 VanDerWaalsContact C-N 3.25Å; H222-C224 PolarHBondContact O-N 2.8Å; C224-R289 PolarHBondContact SG-NH1 3.41Å; C224-C295 WeakPolarHBondContact CA-SG 3.37Å; C224-C295 HydrophobicContact CB-CB 3.74Å; C224-C295 WeakPolarHBondContact CB-SG 3.45Å; C224-C295 WeakPolarHBondContact SG-CB 3.33Å; C224-C295 CovalentContact SG-SG 2.03Å; C224-C295 PolarHBondContact SG-SG 3.13Å
225	P	97	Very high	95.5	Very high	39 Å²	39	74.9 Å²	74.9	25%	0.253	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-55.5	145.4	171.6	-24.3	35.3	0	0	0	111.1	R289 D290 K292	P225-R289 HydrophobicContact CB-CB 4.43Å; P225-R289 WeakPolarHBondContact O-CD 3.5Å; P225-D290 HydrophobicContact CB-CB 4.14Å; P225-D290 HydrophobicContact CG-CB 4.13Å; P225-K292 HydrophobicContact CG-CB 4.18Å
226	A	95.9	Very high	95.6	Very high	91 Å²	91	70.5 Å²	70.5	75%	0.752	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-60.7	142.1	175.6	0	0	0	0	0	110.1	R289	A226-R289 WeakPolarHBondContact O-CB 3.31Å
227	F	95.4	Very high	95.6	Very high	68 Å²	68	70 Å²	70	30%	0.298	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-67.7	136.9	166.8	-76.4	-81	0	0	0	109.4	M287 K288 R289 K299	F227-M287 HydrophobicContact CB-CB 4.46Å; F227-M287 HydrophobicContact CB-CE 3.93Å; F227-M287 HydrophobicContact CD1-CB 3.9Å; F227-M287 WeakPolarHBondContact CD1-O 3.04Å; F227-M287 WeakPolarHBondContact CE1-O 3.31Å; F227-M287 HydrophobicContact CG-CB 4.36Å; F227-M287 HydrophobicContact CG-CE 4.35Å; F227-K288 WeakPolarHBondContact CA-O 3.38Å; F227-K288 VanDerWaalsContact CD1-C 3.47Å; F227-R289 HydrophobicContact CD1-CB 3.81Å; F227-R289 HydrophobicContact CD1-CG 3.97Å; F227-R289 HydrophobicContact CE1-CB 4.07Å; F227-R289 HydrophobicContact CE1-CG 3.68Å; F227-R289 HydrophobicContact CE2-CG 4.46Å; F227-R289 HydrophobicContact CG-CB 4.12Å; F227-R289 HydrophobicContact CG-CG 4.47Å; F227-R289 HydrophobicContact CZ-CG 3.95Å; F227-K299 HydrophobicContact CE1-CB 4.28Å; F227-K299 HydrophobicContact CZ-CB 4.37Å
228	G	93.2	Very high	95.6	Very high	33 Å²	33	69.3 Å²	69.3	34%	0.34	41%	0.405	S	S	.	.			trans	-64.1	175.6	165.8	0	0	0	0	0	112	K288	G228-K288 PolarHBondContact N-O 3Å
229	P	91	Very high	95.5	Very high	115 Å²	115	66.7 Å²	66.7	75%	0.747	39%	0.394	S	S	*	.			trans	-57.5	142.3	179.1	25.2	-33.9	0	0	0	110.6	G231	P229-G231 PolarHBondContact O-N 3.45Å
230	P	91.4	Very high	95.4	Very high	68 Å²	68	66.8 Å²	66.8	44%	0.442	39%	0.394	S	S	.	.			trans	-60.5	134	172.8	-14.5	26.3	0	0	0	110.1	K285 C286 M287	P230-K285 HydrophobicContact CB-CD 4.1Å; P230-K285 HydrophobicContact CB-CG 4.32Å; P230-C286 WeakPolarHBondContact CA-O 3.02Å; P230-M287 HydrophobicContact CB-CG 3.8Å; P230-M287 HydrophobicContact CB-SD 4.43Å; P230-M287 HydrophobicContact CG-CE 4.32Å; P230-M287 HydrophobicContact CG-CG 4Å; P230-M287 HydrophobicContact CG-SD 4.13Å
231	G	90.3	Very high	95.4	Very high	31 Å²	31	61.7 Å²	61.7	32%	0.32	36%	0.36	S	S	.	.			trans	-66.3	178.4	172.9	0	0	0	0	0	112.9	P229 K285 C286	P229-G231 PolarHBondContact O-N 3.45Å; G231-K285 VanDerWaalsContact O-CD 3.24Å; G231-K285 WeakPolarHBondContact O-CD 3.37Å; G231-K285 WeakPolarHBondContact O-CE 3.06Å; G231-K285 VanDerWaalsContact O-CG 3.25Å; G231-K285 WeakPolarHBondContact O-CG 2.98Å; G231-K285 PolarHBondContact O-NZ 2.81Å; G231-C286 PolarHBondContact N-O 2.99Å
232	E	95.1	Very high	95.3	Very high	140 Å²	140	64.5 Å²	64.5	65%	0.654	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-74.8	164.4	170.1	-74.6	-51.4	137.3	0	0	112.6	S234 H251 K285	E232-S234 PolarHBondContact O-N 2.73Å; E232-H251 PolarHBondContact O-CE1 3.45Å; E232-H251 PolarHBondContact O-NE2 2.77Å; E232-K285 IonicContact OE2-NZ 3.75Å
233	W	97.6	Very high	95.4	Very high	75 Å²	75	64.8 Å²	64.8	28%	0.284	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-67.2	131.3	169.9	-71	108.1	0	0	0	109.5	R178 R283 V284 K285 K303	R178-W233 VanDerWaalsContact NH1-CH2 3.32Å; W233-R283 HydrophobicContact CB-CB 4.31Å; W233-R283 HydrophobicContact CE3-CB 3.91Å; W233-V284 WeakPolarHBondContact CA-O 3.43Å; W233-K285 HydrophobicContact CD2-CB 3.94Å; W233-K285 HydrophobicContact CE3-CB 3.62Å; W233-K285 HydrophobicContact CH2-CB 3.85Å; W233-K285 HydrophobicContact CZ2-CB 4.15Å; W233-K285 HydrophobicContact CZ2-CD 4.29Å; W233-K285 HydrophobicContact CZ3-CB 3.58Å; W233-K303 HydrophobicContact CD2-CB 4.27Å; W233-K303 HydrophobicContact CE3-CB 3.89Å; W233-K303 HydrophobicContact CH2-CB 3.93Å; W233-K303 HydrophobicContact CZ2-CB 4.3Å; W233-K303 HydrophobicContact CZ3-CB 3.7Å
234	S	98.1	Very high	95.5	Very high	7 Å²	7	59.1 Å²	59.1	5%	0.049	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-62.8	172.6	172.2	72.2	0	0	0	0	111.8	E232 H251 R283 V284	E232-S234 PolarHBondContact O-N 2.73Å; S234-H251 VanDerWaalsContact CA-CE1 3.44Å; S234-H251 WeakPolarHBondContact CA-CE1 3.21Å; S234-H251 PolarHBondContact N-CE1 3.48Å; S234-H251 PolarHBondContact N-NE2 3.47Å; S234-R283 WeakPolarHBondContact O-CB 3.37Å; S234-R283 VanDerWaalsContact O-CD 3.31Å; S234-R283 WeakPolarHBondContact O-CD 3.48Å; S234-R283 WeakPolarHBondContact O-CG 3.26Å; S234-R283 PolarHBondContact O-NH1 2.03Å; S234-R283 WeakPolarHBondContact OG-CA 3.45Å; S234-V284 PolarHBondContact N-O 3.11Å; S234-V284 PolarHBondContact OG-N 3.46Å
235	E	97.5	Very high	95.4	Very high	146 Å²	146	58.1 Å²	58.1	68%	0.682	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-60.7	169	158.4	-63.8	-168.5	171.4	0	0	112	L237	E235-L237 PolarHBondContact O-N 3.34Å; E235-L237 VanDerWaalsContact O-N 3.1Å
236	C	98.4	Very high	95.4	Very high	12 Å²	12	62.2 Å²	62.2	8%	0.081	34%	0.338	C	S	.	.			trans	-68.3	102.5	175	-76	0	0	0	0	111	K276 S281 C305	C236-K276 HydrophobicContact CB-CD 4.31Å; C236-K276 WeakPolarHBondContact O-CE 3.1Å; C236-K276 PolarHBondContact O-NZ 3.39Å; C236-K276 VanDerWaalsContact O-NZ 3.11Å; C236-S281 WeakPolarHBondContact CB-OG 3.33Å; C236-C305 VanDerWaalsContact CA-SG 3.53Å; C236-C305 HydrophobicContact CB-CB 4.12Å; C236-C305 WeakPolarHBondContact CB-SG 3.48Å; C236-C305 WeakPolarHBondContact SG-CB 3.49Å; C236-C305 CovalentContact SG-SG 2.04Å; C236-C305 PolarHBondContact SG-SG 3.01Å
237	L	98.3	Very high	95.4	Very high	8 Å²	8	62.4 Å²	62.4	4%	0.042	32%	0.324	C	S	.	.	B	Isolated β-bridge	trans	-72.8	141.1	178.8	-53	-173.9	0	0	0	111.1	E235 I244 H247 V248 S281 F282 V284	E235-L237 PolarHBondContact O-N 3.34Å; E235-L237 VanDerWaalsContact O-N 3.1Å; L237-I244 HydrophobicContact CD1-CG2 4.3Å; L237-H247 HydrophobicContact CD1-CB 4.43Å; L237-H247 HydrophobicContact CD2-CB 3.56Å; L237-V248 HydrophobicContact CD1-CG2 4.02Å; L237-S281 WeakPolarHBondContact O-CA 3.48Å; L237-S281 PolarHBondContact O-OG 3.43Å; L237-F282 VanDerWaalsContact CB-O 3.3Å; L237-F282 WeakPolarHBondContact CB-O 3.04Å; L237-F282 HydrophobicContact CD1-CE2 4.23Å; L237-F282 HydrophobicContact CD1-CZ 4.39Å; L237-F282 WeakPolarHBondContact CG-O 3.19Å; L237-F282 PolarHBondContact N-O 2.97Å; L237-F282 PolarHBondContact O-N 2.73Å; L237-V284 HydrophobicContact CD1-CG1 3.97Å; L237-V284 HydrophobicContact CD1-CG2 4.03Å
238	W	98	Very high	95.5	Very high	40 Å²	40	60.3 Å²	60.3	15%	0.152	32%	0.316	C	S	.	.			trans	-140.1	161.1	-177	-164.5	-122.4	0	0	0	112.5	I244 P274 E275 K276 C280	W238-I244 WeakPolarHBondContact O-CG1 3.44Å; W238-P274 PolarHBondContact NE1-O 2.04Å; W238-E275 WeakPolarHBondContact CZ2-O 3.29Å; W238-K276 HydrophobicContact CB-CD 4.41Å; W238-K276 HydrophobicContact CB-CG 3.83Å; W238-K276 HydrophobicContact CD2-CB 4.21Å; W238-K276 HydrophobicContact CD2-CG 3.63Å; W238-K276 HydrophobicContact CE3-CB 4.28Å; W238-K276 HydrophobicContact CE3-CG 3.94Å; W238-K276 HydrophobicContact CG-CG 3.57Å; W238-C280 HydrophobicContact CH2-CB 3.94Å; W238-C280 HydrophobicContact CZ3-CB 3.61Å
239	F	95.8	Very high	95.6	Very high	69 Å²	69	60.2 Å²	60.2	30%	0.303	31%	0.307	S	S	.	.	S	Bend	trans	-62.8	154.9	174.9	-70.5	-74.6	0	0	0	111.4	I244 I273 P365	F239-I244 HydrophobicContact CD1-CD1 3.95Å; F239-I244 HydrophobicContact CE1-CD1 4.1Å; F239-I244 HydrophobicContact CG-CD1 4.29Å; F239-I273 HydrophobicContact CB-CD1 4.11Å; F239-I273 HydrophobicContact CB-CG2 3.81Å; F239-P365 HydrophobicContact CE2-CB 4.14Å; F239-P365 HydrophobicContact CE2-CG 3.96Å; F239-P365 HydrophobicContact CZ-CB 4.1Å; F239-P365 HydrophobicContact CZ-CG 3.9Å
240	P	94.4	Very high	95.9	Very high	39 Å²	39	59.2 Å²	59.2	25%	0.253	30%	0.295	S	S	.	.	S	Bend	cis	-73.1	159.3	10.7	30.7	-37.8	0	0	0	114.9	K242 D243 I244 I273	P240-K242 HydrophobicContact CB-CG 4.2Å; P240-K242 HydrophobicContact CG-CG 4.01Å; P240-K242 PolarHBondContact O-N 3.2Å; P240-K242 VanDerWaalsContact O-N 3.14Å; P240-D243 VanDerWaalsContact CD-OD2 3.22Å; P240-D243 WeakPolarHBondContact CD-OD2 3.48Å; P240-D243 HydrophobicContact CG-CB 4.39Å; P240-D243 WeakPolarHBondContact CG-OD2 3.21Å; P240-D243 PolarHBondContact O-N 3Å; P240-I244 PolarHBondContact O-N 2.79Å; P240-I273 HydrophobicContact CB-CD1 3.91Å
241	L	94.6	Very high	96.2	Very high	10 Å²	10	58.9 Å²	58.9	5%	0.052	29%	0.288	C	S	.	.	H	α-helix	trans	-56.9	-34.7	-174.4	-178.5	60.1	0	0	0	113.3	D243 I244 V245 P263 L364	L241-D243 PolarHBondContact O-N 3.27Å; L241-I244 WeakPolarHBondContact O-CB 3.45Å; L241-I244 PolarHBondContact O-N 2.99Å; L241-V245 HydrophobicContact CD1-CG2 4.43Å; L241-V245 HydrophobicContact CG-CG2 4.44Å; L241-V245 WeakPolarHBondContact O-CG2 3.49Å; L241-V245 PolarHBondContact O-N 2.92Å; L241-P263 HydrophobicContact CD2-CB 4.11Å; L241-P263 HydrophobicContact CD2-CG 4.3Å; L241-L364 HydrophobicContact CD1-CD1 3.83Å; L241-L364 HydrophobicContact CD1-CD2 3.57Å; L241-L364 HydrophobicContact CD1-CG 4.37Å
242	K	93.7	Very high	96.5	Very high	132 Å²	132	57.7 Å²	57.7	57%	0.574	27%	0.274	S	S	*	.	H	α-helix	trans	-58.9	-34.4	176.2	62.9	174.5	-170.4	176.4	0	112.8	P240 K246 V265	P240-K242 HydrophobicContact CB-CG 4.2Å; P240-K242 HydrophobicContact CG-CG 4.01Å; P240-K242 PolarHBondContact O-N 3.2Å; P240-K242 VanDerWaalsContact O-N 3.14Å; K242-K246 WeakPolarHBondContact O-CB 3.44Å; K242-K246 PolarHBondContact O-N 2.92Å; K242-V265 HydrophobicContact CB-CG2 4.23Å
243	D	95.7	Very high	96.5	Very high	67 Å²	67	57.8 Å²	57.8	36%	0.358	28%	0.275	S	S	.	.	H	α-helix	trans	-79.7	-33.9	-178.2	-63.2	-12.9	0	0	0	110.5	P240 L241 H247	P240-D243 VanDerWaalsContact CD-OD2 3.22Å; P240-D243 WeakPolarHBondContact CD-OD2 3.48Å; P240-D243 HydrophobicContact CG-CB 4.39Å; P240-D243 WeakPolarHBondContact CG-OD2 3.21Å; P240-D243 PolarHBondContact O-N 3Å; L241-D243 PolarHBondContact O-N 3.27Å; D243-H247 WeakPolarHBondContact O-CB 3.43Å; D243-H247 PolarHBondContact O-N 3.45Å; D243-H247 PolarHBondContact O-ND1 2.83Å
244	I	97.2	Very high	96.3	Very high	4 Å²	4	55.4 Å²	55.4	2%	0.021	27%	0.268	C	S	.	.	H	α-helix	trans	-60.8	-49.9	169.6	-59.3	177.6	0	0	0	110.1	L237 W238 F239 P240 L241 K246 H247 V248 F282 L364	L237-I244 HydrophobicContact CD1-CG2 4.3Å; W238-I244 WeakPolarHBondContact O-CG1 3.44Å; F239-I244 HydrophobicContact CD1-CD1 3.95Å; F239-I244 HydrophobicContact CE1-CD1 4.1Å; F239-I244 HydrophobicContact CG-CD1 4.29Å; P240-I244 PolarHBondContact O-N 2.79Å; L241-I244 WeakPolarHBondContact O-CB 3.45Å; L241-I244 PolarHBondContact O-N 2.99Å; I244-K246 PolarHBondContact O-N 2.74Å; I244-H247 PolarHBondContact O-N 2.96Å; I244-V248 WeakPolarHBondContact O-CG2 3.25Å; I244-V248 PolarHBondContact O-N 2.04Å; I244-F282 HydrophobicContact CD1-CE1 4.3Å; I244-F282 HydrophobicContact CG2-CE1 4.34Å; I244-F282 HydrophobicContact CG2-CZ 3.8Å; I244-L364 HydrophobicContact CG2-CD2 4.19Å
245	V	95.8	Very high	95.9	Very high	27 Å²	27	62.8 Å²	62.8	16%	0.164	30%	0.302	C	S	.	.	H	α-helix	trans	-59.5	-48.7	-179.8	172.2	0	0	0	0	110.5	L241 H247 V248 E249 P263	L241-V245 HydrophobicContact CD1-CG2 4.43Å; L241-V245 HydrophobicContact CG-CG2 4.44Å; L241-V245 WeakPolarHBondContact O-CG2 3.49Å; L241-V245 PolarHBondContact O-N 2.92Å; V245-H247 PolarHBondContact O-N 2.78Å; V245-V248 PolarHBondContact O-N 3.1Å; V245-E249 WeakPolarHBondContact O-CG 3.2Å; V245-E249 PolarHBondContact O-N 2.91Å; V245-P263 HydrophobicContact CG2-CG 3.6Å
246	K	95.8	Very high	95.3	Very high	124 Å²	124	59 Å²	59	54%	0.539	29%	0.29	S	S	.	.	H	α-helix	trans	-59.1	-46.2	178.2	-175.1	178.9	176.6	-175.8	0	112	K242 I244 V248 E249 D250	K242-K246 WeakPolarHBondContact O-CB 3.44Å; K242-K246 PolarHBondContact O-N 2.92Å; I244-K246 PolarHBondContact O-N 2.74Å; K246-V248 VanDerWaalsContact C-N 3.32Å; K246-V248 PolarHBondContact O-N 3.41Å; K246-E249 WeakPolarHBondContact O-CB 3.39Å; K246-E249 PolarHBondContact O-N 3.45Å; K246-D250 WeakPolarHBondContact O-CB 3.1Å; K246-D250 VanDerWaalsContact O-CG 3.31Å; K246-D250 PolarHBondContact O-N 3.49Å
247	H	97.1	Very high	94.6	Very high	96 Å²	96	60.1 Å²	60.1	44%	0.444	29%	0.294	S	S	.	.	H	α-helix	trans	-62.4	-37.6	176.7	-85.3	95.6	0	0	0	113.1	L237 D243 I244 V245 E249 H251	L237-H247 HydrophobicContact CD1-CB 4.43Å; L237-H247 HydrophobicContact CD2-CB 3.56Å; D243-H247 WeakPolarHBondContact O-CB 3.43Å; D243-H247 PolarHBondContact O-N 3.45Å; D243-H247 PolarHBondContact O-ND1 2.83Å; I244-H247 PolarHBondContact O-N 2.96Å; V245-H247 PolarHBondContact O-N 2.78Å; H247-E249 VanDerWaalsContact C-N 3.33Å; H247-H251 WeakPolarHBondContact O-CB 3.34Å; H247-H251 PolarHBondContact O-N 3.5Å
248	V	96.7	Very high	93.8	Very high	23 Å²	23	64.9 Å²	64.9	14%	0.139	34%	0.335	C	S	.	.	H	α-helix	trans	-64.9	-40.9	176	170.3	0	0	0	0	110.7	L237 I244 V245 K246 C252 V284 L300	L237-V248 HydrophobicContact CD1-CG2 4.02Å; I244-V248 WeakPolarHBondContact O-CG2 3.25Å; I244-V248 PolarHBondContact O-N 2.04Å; V245-V248 PolarHBondContact O-N 3.1Å; K246-V248 VanDerWaalsContact C-N 3.32Å; K246-V248 PolarHBondContact O-N 3.41Å; V248-C252 WeakPolarHBondContact O-CB 3.1Å; V248-C252 PolarHBondContact O-N 2.03Å; V248-C252 PolarHBondContact O-SG 2.89Å; V248-C252 VanDerWaalsContact O-SG 3.33Å; V248-V284 HydrophobicContact CG2-CG1 4.36Å; V248-V284 HydrophobicContact CG2-CG2 4.39Å; V248-L300 HydrophobicContact CG1-CD1 4.01Å
249	E	95.7	Very high	93	Very high	32 Å²	32	67.4 Å²	67.4	15%	0.15	35%	0.351	C	S	.	.	H	α-helix	trans	-63.8	-47	176.9	-69.9	172	163.8	0	0	112	V245 K246 H247 H253 V254 R262	V245-E249 WeakPolarHBondContact O-CG 3.2Å; V245-E249 PolarHBondContact O-N 2.91Å; K246-E249 WeakPolarHBondContact O-CB 3.39Å; K246-E249 PolarHBondContact O-N 3.45Å; H247-E249 VanDerWaalsContact C-N 3.33Å; E249-H253 WeakPolarHBondContact O-CA 3.42Å; E249-H253 PolarHBondContact O-N 2.76Å; E249-V254 HydrophobicContact CB-CG2 4.41Å; E249-V254 HydrophobicContact CG-CG2 4.3Å; E249-V254 PolarHBondContact O-N 3.34Å; E249-R262 IonicContact OE1-CZ 2.93Å; E249-R262 IonicContact OE1-NE 2.72Å; E249-R262 PolarHBondContact OE1-NE 3.21Å; E249-R262 IonicContact OE1-NH2 3.74Å; E249-R262 PolarHBondContact OE1-NH2 3.06Å; E249-R262 IonicContact OE2-CZ 3.57Å; E249-R262 IonicContact OE2-NE 3.72Å; E249-R262 IonicContact OE2-NH2 3.26Å; E249-R262 PolarHBondContact OE2-NH2 3.27Å
250	D	96.6	Very high	92.5	Very high	93 Å²	93	64.5 Å²	64.5	50%	0.497	34%	0.341	S	S	.	.	H	α-helix	trans	-65.7	-48.8	178.8	-67.2	-20.6	0	0	0	111.3	K246 H253	K246-D250 WeakPolarHBondContact O-CB 3.1Å; K246-D250 VanDerWaalsContact O-CG 3.31Å; K246-D250 PolarHBondContact O-N 3.49Å; D250-H253 PolarHBondContact O-CE1 3.06Å; D250-H253 PolarHBondContact O-N 3.05Å; D250-H253 PolarHBondContact O-ND1 2.87Å
251	H	97.4	Very high	92.4	Very high	61 Å²	61	63.7 Å²	63.7	28%	0.282	33%	0.333	S	S	.	.	H	α-helix	trans	-68.9	-34.7	-177.3	-171.9	77.3	0	0	0	113.2	E232 S234 H247 C286	E232-H251 PolarHBondContact O-CE1 3.45Å; E232-H251 PolarHBondContact O-NE2 2.77Å; S234-H251 VanDerWaalsContact CA-CE1 3.44Å; S234-H251 WeakPolarHBondContact CA-CE1 3.21Å; S234-H251 PolarHBondContact N-CE1 3.48Å; S234-H251 PolarHBondContact N-NE2 3.47Å; H247-H251 WeakPolarHBondContact O-CB 3.34Å; H247-H251 PolarHBondContact O-N 3.5Å; H251-C286 VanDerWaalsContact CD2-SG 3.53Å
252	C	96.9	Very high	92.3	Very high	6 Å²	6	69.2 Å²	69.2	4%	0.041	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-1.7	176.6	-60.1	0	0	0	0	113.5	V248 V254 C286 L298 L300	V248-C252 WeakPolarHBondContact O-CB 3.1Å; V248-C252 PolarHBondContact O-N 2.03Å; V248-C252 PolarHBondContact O-SG 2.89Å; V248-C252 VanDerWaalsContact O-SG 3.33Å; C252-V254 VanDerWaalsContact C-N 3.28Å; C252-V254 HydrophobicContact CB-CG1 4.13Å; C252-V254 HydrophobicContact CB-CG2 4.1Å; C252-V254 PolarHBondContact O-N 3.39Å; C252-C286 WeakPolarHBondContact CA-SG 3.34Å; C252-C286 HydrophobicContact CB-CB 3.7Å; C252-C286 WeakPolarHBondContact CB-SG 3.12Å; C252-C286 WeakPolarHBondContact SG-CB 3.45Å; C252-C286 CovalentContact SG-SG 2.03Å; C252-C286 PolarHBondContact SG-SG 3.42Å; C252-L298 HydrophobicContact CB-CD1 3.98Å; C252-L298 HydrophobicContact CB-CD2 4.42Å; C252-L300 WeakPolarHBondContact SG-CD2 3.28Å
253	H	94.8	Very high	92.2	Very high	142 Å²	142	64.3 Å²	64.3	66%	0.657	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	49.2	-173.9	-51.5	-56	0	0	0	111.9	E249 D250 K288	E249-H253 WeakPolarHBondContact O-CA 3.42Å; E249-H253 PolarHBondContact O-N 2.76Å; D250-H253 PolarHBondContact O-CE1 3.06Å; D250-H253 PolarHBondContact O-N 3.05Å; D250-H253 PolarHBondContact O-ND1 2.87Å; H253-K288 PolarHBondContact O-NZ 3.2Å
254	V	93.4	Very high	91.9	Very high	25 Å²	25	63.6 Å²	63.6	15%	0.152	33%	0.334	C	S	.	.			trans	-115.9	143.6	177	-63.4	0	0	0	0	109.9	E249 C252 K288 L298	E249-V254 HydrophobicContact CB-CG2 4.41Å; E249-V254 HydrophobicContact CG-CG2 4.3Å; E249-V254 PolarHBondContact O-N 3.34Å; C252-V254 VanDerWaalsContact C-N 3.28Å; C252-V254 HydrophobicContact CB-CG1 4.13Å; C252-V254 HydrophobicContact CB-CG2 4.1Å; C252-V254 PolarHBondContact O-N 3.39Å; V254-K288 HydrophobicContact CG1-CD 4.08Å; V254-L298 HydrophobicContact CG1-CD1 4.31Å; V254-L298 HydrophobicContact CG1-CD2 4.3Å; V254-L298 HydrophobicContact CG2-CD2 4.34Å
255	H	89.7	Confident	91.3	Very high	162 Å²	162	67.8 Å²	67.8	75%	0.75	36%	0.359	S	S	*	.			trans	-104.2	149.2	178.8	-59	-57.9	0	0	0	110.1	E257	H255-E257 PolarHBondContact O-N 2.73Å
256	P	86	Confident	90.6	Very high	67 Å²	67	67.4 Å²	67.4	44%	0.435	36%	0.357	S	S	.	.			trans	-57.5	126.8	167.4	24.9	-34.6	0	0	0	110.9	R262	P256-R262 VanDerWaalsContact CB-NH2 3.33Å
257	E	83.8	Confident	90	Very high	35 Å²	35	63.9 Å²	63.9	16%	0.164	35%	0.346	C	S	.	.			trans	-82.5	146.3	166.6	-52.7	-175.9	145.8	0	0	109.8	H255 D259 G260 K291 K353	H255-E257 PolarHBondContact O-N 2.73Å; E257-D259 WeakPolarHBondContact CB-OD1 3.38Å; E257-D259 PolarHBondContact O-N 3.14Å; E257-G260 PolarHBondContact O-N 3.2Å; E257-K291 WeakPolarHBondContact OE1-CD 3.16Å; E257-K291 WeakPolarHBondContact OE1-CE 3.03Å; E257-K291 IonicContact OE1-NZ 3.73Å; E257-K291 PolarHBondContact OE1-NZ 3.14Å; E257-K353 IonicContact OE2-NZ 2.87Å; E257-K353 PolarHBondContact OE2-NZ 3.01Å
258	A	80.1	Confident	89.3	Confident	109 Å²	109	62.2 Å²	62.2	90%	0.901	34%	0.343	S	S	*	.	S	Bend	trans	-60	-37.7	175.1	0	0	0	0	0	112
259	D	81.1	Confident	88.7	Confident	92 Å²	92	67.5 Å²	67.5	49%	0.492	38%	0.378	S	S	.	.	S	Bend	trans	-90.8	-2.7	175.2	69.3	-44.8	0	0	0	112.9	E257 K347 K353	E257-D259 WeakPolarHBondContact CB-OD1 3.38Å; E257-D259 PolarHBondContact O-N 3.14Å; D259-K347 VanDerWaalsContact C-NZ 3.34Å; D259-K347 VanDerWaalsContact O-CD 3.29Å; D259-K347 WeakPolarHBondContact O-CD 2.95Å; D259-K347 PolarHBondContact O-NZ 3.1Å; D259-K347 VanDerWaalsContact O-NZ 3.09Å; D259-K353 IonicContact OD1-NZ 3.72Å; D259-K353 IonicContact OD2-NZ 3.5Å; D259-K353 PolarHBondContact OD2-NZ 2.91Å
260	G	86.1	Confident	88	Confident	9 Å²	9	70.1 Å²	70.1	9%	0.093	41%	0.414	C	S	.	.	S	Bend	trans	-71.8	165.8	-179	0	0	0	0	0	114.2	E257 K347 Y357	E257-G260 PolarHBondContact O-N 3.2Å; G260-K347 PolarHBondContact O-NZ 3.25Å; G260-Y357 WeakPolarHBondContact CA-OH 3.08Å
261	Y	92.6	Very high	87.6	Confident	22 Å²	22	67.9 Å²	67.9	9%	0.086	40%	0.402	C	S	.	.			trans	-100.1	130.2	174.2	175.7	-102.4	0	0	0	111.3	P263 F340 K343 Y357 L361	Y261-P263 HydrophobicContact CE1-CB 4.05Å; Y261-F340 AromaticContact CD1-CD2 3.56Å; Y261-F340 HydrophobicContact CD1-CD2 3.56Å; Y261-F340 AromaticContact CD1-CE2 3.94Å; Y261-F340 HydrophobicContact CD1-CE2 3.94Å; Y261-F340 AromaticContact CD2-CD2 3.94Å; Y261-F340 HydrophobicContact CD2-CD2 3.94Å; Y261-F340 HydrophobicContact CE1-CB 4.22Å; Y261-F340 AromaticContact CE1-CD2 3.48Å; Y261-F340 HydrophobicContact CE1-CD2 3.48Å; Y261-F340 VanDerWaalsContact CE1-CD2 3.48Å; Y261-F340 HydrophobicContact CE1-CE2 4.28Å; Y261-F340 HydrophobicContact CE1-CG 4.2Å; Y261-F340 HydrophobicContact CE2-CB 4.21Å; Y261-F340 AromaticContact CE2-CD2 3.89Å; Y261-F340 HydrophobicContact CE2-CD2 3.89Å; Y261-F340 AromaticContact CG-CD2 3.78Å; Y261-F340 HydrophobicContact CG-CD2 3.78Å; Y261-F340 HydrophobicContact CG-CE2 4.11Å; Y261-F340 AromaticContact CZ-CD2 3.66Å; Y261-K343 HydrophobicContact CD2-CB 4.2Å; Y261-K343 HydrophobicContact CE2-CB 4.29Å; Y261-K343 HydrophobicContact CE2-CG 4.46Å; Y261-Y357 PolarHBondContact N-OH 3.35Å; Y261-L361 HydrophobicContact CE1-CD1 4.35Å; Y261-L361 HydrophobicContact CE1-CD2 4.44Å
262	R	92.1	Very high	87.2	Confident	126 Å²	126	71.4 Å²	71.4	48%	0.475	42%	0.418	S	S	.	.			trans	-120	130	164.9	-80.9	179.9	162.5	175.2	-4.7	108.9	E249 P256	E249-R262 IonicContact OE1-CZ 2.93Å; E249-R262 IonicContact OE1-NE 2.72Å; E249-R262 PolarHBondContact OE1-NE 3.21Å; E249-R262 IonicContact OE1-NH2 3.74Å; E249-R262 PolarHBondContact OE1-NH2 3.06Å; E249-R262 IonicContact OE2-CZ 3.57Å; E249-R262 IonicContact OE2-NE 3.72Å; E249-R262 IonicContact OE2-NH2 3.26Å; E249-R262 PolarHBondContact OE2-NH2 3.27Å; P256-R262 VanDerWaalsContact CB-NH2 3.33Å
263	P	91.1	Very high	87.1	Confident	28 Å²	28	74.1 Å²	74.1	18%	0.182	43%	0.431	C	S	.	.			trans	-67	131.2	179.5	28.3	-34.1	0	0	0	110.7	L241 V245 Y261 L336 L361	L241-P263 HydrophobicContact CD2-CB 4.11Å; L241-P263 HydrophobicContact CD2-CG 4.3Å; V245-P263 HydrophobicContact CG2-CG 3.6Å; Y261-P263 HydrophobicContact CE1-CB 4.05Å; P263-L336 HydrophobicContact CB-CD1 3.57Å; P263-L361 HydrophobicContact CB-CD1 4.17Å
264	P	89.6	Confident	87.1	Confident	53 Å²	53	68.5 Å²	68.5	34%	0.344	41%	0.408	S	S	.	.			trans	-69.7	156.5	178.4	29	-33.9	0	0	0	111.3	V266	P264-V266 HydrophobicContact CG-CG1 4.14Å; P264-V266 PolarHBondContact O-N 3.01Å; P264-V266 VanDerWaalsContact O-N 3.13Å
265	V	84.4	Confident	87.3	Confident	91 Å²	91	74.1 Å²	74.1	55%	0.552	43%	0.432	S	S	*	.			trans	-72	106.6	168	-179.5	0	0	0	0	108	K242	K242-V265 HydrophobicContact CB-CG2 4.23Å
266	V	82.3	Confident	87.7	Confident	20 Å²	20	69.6 Å²	69.6	12%	0.121	41%	0.41	C	S	.	.			trans	-95	-11.9	-179.7	-66.1	0	0	0	0	113.6	P264 P268 L332 K335	P264-V266 HydrophobicContact CG-CG1 4.14Å; P264-V266 PolarHBondContact O-N 3.01Å; P264-V266 VanDerWaalsContact O-N 3.13Å; V266-P268 WeakPolarHBondContact O-CD 3.28Å; V266-L332 HydrophobicContact CB-CD2 4.24Å; V266-L332 HydrophobicContact CG2-CB 4.22Å; V266-L332 HydrophobicContact CG2-CD2 4.07Å; V266-L332 VanDerWaalsContact O-CD2 3.25Å; V266-L332 WeakPolarHBondContact O-CD2 3.03Å; V266-K335 HydrophobicContact CB-CD 4.36Å; V266-K335 HydrophobicContact CG1-CD 4.21Å; V266-K335 HydrophobicContact CG1-CG 4.28Å
267	T	83.5	Confident	88.3	Confident	50 Å²	50	66.8 Å²	66.8	31%	0.307	39%	0.392	S	S	.	.	S	Bend	trans	-69.6	124.9	-178	-52.7	0	0	0	0	110.8	I271	T267-I271 HydrophobicContact CG2-CB 4.01Å; T267-I271 HydrophobicContact CG2-CD1 3.63Å; T267-I271 HydrophobicContact CG2-CG1 4.37Å; T267-I271 HydrophobicContact CG2-CG2 4.28Å
268	P	80.6	Confident	89	Confident	60 Å²	60	65.1 Å²	65.1	39%	0.39	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-53.4	146.1	172.9	-28.2	30.2	0	0	0	113.7	V266 I271	V266-P268 WeakPolarHBondContact O-CD 3.28Å; P268-I271 HydrophobicContact CB-CD1 3.69Å; P268-I271 HydrophobicContact CB-CG1 4.25Å; P268-I271 HydrophobicContact CG-CD1 3.67Å
269	P	84	Confident	89.8	Confident	134 Å²	134	61.9 Å²	61.9	87%	0.87	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	144.6	171.7	-23	33.3	0	0	0	111.8	I271	P269-I271 VanDerWaalsContact C-N 3.34Å; P269-I271 PolarHBondContact O-N 2.71Å
270	G	82.5	Confident	90.7	Very high	88 Å²	88	58 Å²	58	91%	0.907	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.8	-3	174.2	0	0	0	0	0	116.2	H272	G270-H272 PolarHBondContact O-N 3.09Å
271	I	86.7	Confident	91.3	Very high	46 Å²	46	57.5 Å²	57.5	24%	0.236	32%	0.324	C	S	.	.			trans	-66.7	124.3	173.1	-68.5	170.2	0	0	0	109.9	T267 P268 P269 I273 I322	T267-I271 HydrophobicContact CG2-CB 4.01Å; T267-I271 HydrophobicContact CG2-CD1 3.63Å; T267-I271 HydrophobicContact CG2-CG1 4.37Å; T267-I271 HydrophobicContact CG2-CG2 4.28Å; P268-I271 HydrophobicContact CB-CD1 3.69Å; P268-I271 HydrophobicContact CB-CG1 4.25Å; P268-I271 HydrophobicContact CG-CD1 3.67Å; P269-I271 VanDerWaalsContact C-N 3.34Å; P269-I271 PolarHBondContact O-N 2.71Å; I271-I273 PolarHBondContact O-N 3.35Å; I271-I322 HydrophobicContact CD1-CD1 3.29Å; I271-I322 HydrophobicContact CG1-CD1 3.66Å
272	H	90.7	Very high	91.6	Very high	135 Å²	135	56.7 Å²	56.7	63%	0.625	32%	0.321	S	S	*	.			trans	-69.7	124.2	172.3	-179.7	69.7	0	0	0	110.5	G270	G270-H272 PolarHBondContact O-N 3.09Å
273	I	93.5	Very high	91.9	Very high	62 Å²	62	53.3 Å²	53.3	32%	0.318	31%	0.309	S	S	.	.			trans	-96.4	114.3	171.3	-61.7	170	0	0	0	106.2	F239 P240 I271	F239-I273 HydrophobicContact CB-CD1 4.11Å; F239-I273 HydrophobicContact CB-CG2 3.81Å; P240-I273 HydrophobicContact CB-CD1 3.91Å; I271-I273 PolarHBondContact O-N 3.35Å
274	P	95.2	Very high	92.2	Very high	25 Å²	25	52.1 Å²	52.1	16%	0.162	30%	0.3	C	S	.	.			trans	-69.5	176.6	178.2	31.3	-35.8	0	0	0	111.1	W238 M319	W238-P274 PolarHBondContact NE1-O 2.04Å; P274-M319 HydrophobicContact CG-CG 4.3Å
275	E	96.9	Very high	92.6	Very high	142 Å²	142	51.8 Å²	51.8	66%	0.664	29%	0.294	S	S	*	.	S	Bend	trans	-56.3	165.3	166	-62.6	-171.1	158.3	0	0	112.2	W238 C277	W238-E275 WeakPolarHBondContact CZ2-O 3.29Å; E275-C277 PolarHBondContact O-N 2.81Å; E275-C277 VanDerWaalsContact O-N 3.17Å; E275-C277 PolarHBondContact O-SG 2.8Å
276	K	98.3	Very high	93.2	Very high	67 Å²	67	48 Å²	48	29%	0.291	27%	0.271	S	S	.	.	S	Bend	trans	-55.4	119.3	177.6	-69.9	168.8	-175.2	166.5	0	110	C236 W238 T312 C313	C236-K276 HydrophobicContact CB-CD 4.31Å; C236-K276 WeakPolarHBondContact O-CE 3.1Å; C236-K276 PolarHBondContact O-NZ 3.39Å; C236-K276 VanDerWaalsContact O-NZ 3.11Å; W238-K276 HydrophobicContact CB-CD 4.41Å; W238-K276 HydrophobicContact CB-CG 3.83Å; W238-K276 HydrophobicContact CD2-CB 4.21Å; W238-K276 HydrophobicContact CD2-CG 3.63Å; W238-K276 HydrophobicContact CE3-CB 4.28Å; W238-K276 HydrophobicContact CE3-CG 3.94Å; W238-K276 HydrophobicContact CG-CG 3.57Å; K276-T312 CarbonylContact O-C 3.6Å; K276-T312 WeakPolarHBondContact O-CB 3.24Å; K276-T312 VanDerWaalsContact O-O 3.05Å; K276-T312 PolarHBondContact O-OG1 3.24Å; K276-T312 VanDerWaalsContact O-OG1 3.07Å; K276-C313 WeakPolarHBondContact O-CA 3.5Å; K276-C313 PolarHBondContact O-N 2.04Å
277	C	98.5	Very high	93.8	Very high	9 Å²	9	49.3 Å²	49.3	6%	0.061	28%	0.276	C	S	.	.			trans	-150.9	172.8	-173.8	58.2	0	0	0	0	112.8	E275 Y279 C280 T312 C313 C317	E275-C277 PolarHBondContact O-N 2.81Å; E275-C277 VanDerWaalsContact O-N 3.17Å; E275-C277 PolarHBondContact O-SG 2.8Å; C277-Y279 PolarHBondContact O-N 3.33Å; C277-Y279 VanDerWaalsContact O-N 3.17Å; C277-C280 VanDerWaalsContact O-CB 3.24Å; C277-C280 WeakPolarHBondContact O-CB 3.46Å; C277-C280 PolarHBondContact O-N 2.68Å; C277-T312 WeakPolarHBondContact CA-O 3.09Å; C277-C313 CarbonylContact C-O 3.55Å; C277-C313 VanDerWaalsContact C-O 3.31Å; C277-C317 HydrophobicContact CB-CB 4.03Å; C277-C317 WeakPolarHBondContact CB-SG 3.33Å; C277-C317 PolarHBondContact O-SG 3.26Å; C277-C317 VanDerWaalsContact O-SG 3.36Å; C277-C317 WeakPolarHBondContact SG-CA 3.27Å; C277-C317 WeakPolarHBondContact SG-CB 3.45Å; C277-C317 CovalentContact SG-SG 2.03Å; C277-C317 PolarHBondContact SG-SG 2.96Å
278	G	98.4	Very high	94.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.6	21.7	163.4	0	0	0	0	0	114.5	C280 C313 D315 C317 C379 C380	G278-C280 PolarHBondContact O-N 2.75Å; G278-C280 VanDerWaalsContact O-N 3.12Å; G278-C313 PolarHBondContact N-O 3.39Å; G278-D315 VanDerWaalsContact CA-O 3.29Å; G278-D315 WeakPolarHBondContact CA-O 3.38Å; G278-D315 PolarHBondContact N-O 3.27Å; G278-C317 PolarHBondContact N-SG 2.81Å; G278-C379 CarbonylContact O-C 3.03Å; G278-C379 WeakPolarHBondContact O-CA 2.88Å; G278-C380 PolarHBondContact O-N 3.08Å
279	Y	98.6	Very high	95.2	Very high	41 Å²	41	50.3 Å²	50.3	16%	0.161	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.7	23.5	-166	-58.4	-87.9	0	0	0	113	P171 C277 C305 C313 S314 Y383 C392	P171-Y279 HydrophobicContact CG-CD1 4.04Å; P171-Y279 HydrophobicContact CG-CE1 3.89Å; C277-Y279 PolarHBondContact O-N 3.33Å; C277-Y279 VanDerWaalsContact O-N 3.17Å; Y279-C305 WeakPolarHBondContact CD1-O 3.38Å; Y279-C313 WeakPolarHBondContact CA-O 3.41Å; Y279-C313 PolarHBondContact N-O 2.82Å; Y279-S314 WeakPolarHBondContact CE2-O 3.31Å; Y279-S314 VanDerWaalsContact OH-CB 3.31Å; Y279-S314 WeakPolarHBondContact OH-CB 3.45Å; Y279-Y383 VanDerWaalsContact CB-CD2 3.46Å; Y279-Y383 HydrophobicContact CD1-CD2 4.21Å; Y279-Y383 HydrophobicContact CD1-CE1 4.28Å; Y279-Y383 AromaticContact CD1-CE2 3.64Å; Y279-Y383 HydrophobicContact CD1-CE2 3.64Å; Y279-Y383 AromaticContact CD1-CZ 3.67Å; Y279-Y383 AromaticContact CD2-CD1 3.73Å; Y279-Y383 HydrophobicContact CD2-CD1 3.73Å; Y279-Y383 AromaticContact CD2-CD2 3.82Å; Y279-Y383 HydrophobicContact CD2-CD2 3.82Å; Y279-Y383 AromaticContact CD2-CE1 3.9Å; Y279-Y383 HydrophobicContact CD2-CE1 3.9Å; Y279-Y383 HydrophobicContact CD2-CE2 4.01Å; Y279-Y383 AromaticContact CD2-CG 3.69Å; Y279-Y383 HydrophobicContact CD2-CG 3.69Å; Y279-Y383 HydrophobicContact CE1-CE1 4.11Å; Y279-Y383 HydrophobicContact CE1-CE2 4.21Å; Y279-Y383 AromaticContact CE1-CZ 3.74Å; Y279-Y383 AromaticContact CE2-CD1 3.81Å; Y279-Y383 HydrophobicContact CE2-CD1 3.81Å; Y279-Y383 AromaticContact CE2-CE1 3.72Å; Y279-Y383 HydrophobicContact CE2-CE1 3.72Å; Y279-Y383 HydrophobicContact CE2-CG 4.26Å; Y279-Y383 HydrophobicContact CG-CD1 4.24Å; Y279-Y383 AromaticContact CG-CD2 3.58Å; Y279-Y383 HydrophobicContact CG-CD2 3.58Å; Y279-Y383 HydrophobicContact CG-CE1 4.16Å; Y279-Y383 AromaticContact CG-CE2 3.5Å; Y279-Y383 HydrophobicContact CG-CE2 3.5Å; Y279-Y383 AromaticContact CG-CG 3.97Å; Y279-Y383 HydrophobicContact CG-CG 3.97Å; Y279-Y383 AromaticContact CG-CZ 3.81Å; Y279-Y383 AromaticContact CZ-CE1 3.81Å; Y279-Y383 AromaticContact CZ-CZ 3.95Å; Y279-C392 HydrophobicContact CD2-CB 3.64Å; Y279-C392 HydrophobicContact CE2-CB 3.67Å
280	C	98.4	Very high	95.7	Very high	9 Å²	9	49.8 Å²	49.8	6%	0.061	26%	0.259	C	S	.	.			trans	-83.5	-25.2	179.4	-68	0	0	0	0	112.2	W238 C277 G278 P365 C380	W238-C280 HydrophobicContact CH2-CB 3.94Å; W238-C280 HydrophobicContact CZ3-CB 3.61Å; C277-C280 VanDerWaalsContact O-CB 3.24Å; C277-C280 WeakPolarHBondContact O-CB 3.46Å; C277-C280 PolarHBondContact O-N 2.68Å; G278-C280 PolarHBondContact O-N 2.75Å; G278-C280 VanDerWaalsContact O-N 3.12Å; C280-P365 HydrophobicContact CB-CB 4.23Å; C280-P365 WeakPolarHBondContact O-CG 3.42Å; C280-C380 WeakPolarHBondContact CA-SG 3.27Å; C280-C380 HydrophobicContact CB-CB 3.8Å; C280-C380 WeakPolarHBondContact CB-SG 3.13Å; C280-C380 WeakPolarHBondContact SG-CB 3.09Å; C280-C380 PolarHBondContact SG-N 3.22Å; C280-C380 CovalentContact SG-SG 2.03Å; C280-C380 PolarHBondContact SG-SG 2.81Å
281	S	98.6	Very high	96.3	Very high	0 Å²	0	52 Å²	52	0%	0	24%	0.244	C	C	.	.			trans	-73	144.5	173.3	-175.9	0	0	0	0	109.2	C236 L237 C305	C236-S281 WeakPolarHBondContact CB-OG 3.33Å; L237-S281 WeakPolarHBondContact O-CA 3.48Å; L237-S281 PolarHBondContact O-OG 3.43Å; S281-C305 PolarHBondContact O-N 3.48Å
282	F	98.7	Very high	96.7	Very high	4 Å²	4	54 Å²	54	2%	0.018	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	154.5	-175.4	67.5	-77	0	0	0	112.7	L237 I244 V284 K302 K303 P365	L237-F282 VanDerWaalsContact CB-O 3.3Å; L237-F282 WeakPolarHBondContact CB-O 3.04Å; L237-F282 HydrophobicContact CD1-CE2 4.23Å; L237-F282 HydrophobicContact CD1-CZ 4.39Å; L237-F282 WeakPolarHBondContact CG-O 3.19Å; L237-F282 PolarHBondContact N-O 2.97Å; L237-F282 PolarHBondContact O-N 2.73Å; I244-F282 HydrophobicContact CD1-CE1 4.3Å; I244-F282 HydrophobicContact CG2-CE1 4.34Å; I244-F282 HydrophobicContact CG2-CZ 3.8Å; F282-V284 HydrophobicContact CD2-CG1 3.82Å; F282-V284 HydrophobicContact CE2-CG1 3.5Å; F282-V284 VanDerWaalsContact CE2-CG1 3.5Å; F282-K302 HydrophobicContact CB-CD 4.44Å; F282-K302 HydrophobicContact CB-CG 4.05Å; F282-K302 HydrophobicContact CD2-CD 4.3Å; F282-K302 HydrophobicContact CD2-CG 3.95Å; F282-K302 HydrophobicContact CG-CD 4.45Å; F282-K302 HydrophobicContact CG-CG 4.29Å; F282-K303 CarbonylContact C-O 3.53Å; F282-K303 WeakPolarHBondContact CA-O 3.17Å; F282-P365 HydrophobicContact CD1-CG 3.82Å; F282-P365 HydrophobicContact CE1-CG 3.65Å
283	R	98.6	Very high	96.9	Very high	56 Å²	56	53.7 Å²	53.7	21%	0.211	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	150.1	170.8	-52.2	178	178	-93.9	4.2	109.6	W233 S234 K302 K303 D309	W233-R283 HydrophobicContact CB-CB 4.31Å; W233-R283 HydrophobicContact CE3-CB 3.91Å; S234-R283 WeakPolarHBondContact O-CB 3.37Å; S234-R283 VanDerWaalsContact O-CD 3.31Å; S234-R283 WeakPolarHBondContact O-CD 3.48Å; S234-R283 WeakPolarHBondContact O-CG 3.26Å; S234-R283 PolarHBondContact O-NH1 2.03Å; S234-R283 WeakPolarHBondContact OG-CA 3.45Å; R283-K302 WeakPolarHBondContact O-CA 3.42Å; R283-K303 HydrophobicContact CB-CB 4.42Å; R283-K303 PolarHBondContact N-O 2.9Å; R283-K303 PolarHBondContact O-N 3.3Å; R283-D309 IonicContact CZ-OD1 3.01Å; R283-D309 VanDerWaalsContact CZ-OD1 3.29Å; R283-D309 IonicContact NE-OD1 2.72Å; R283-D309 PolarHBondContact NE-OD1 2.98Å; R283-D309 IonicContact NH2-OD1 3.36Å; R283-D309 PolarHBondContact NH2-OD1 2.83Å
284	V	98.2	Very high	97	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.012	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	150.9	172.8	-63.4	0	0	0	0	111.2	W233 S234 L237 V248 F282 L300 G301	W233-V284 WeakPolarHBondContact CA-O 3.43Å; S234-V284 PolarHBondContact N-O 3.11Å; S234-V284 PolarHBondContact OG-N 3.46Å; L237-V284 HydrophobicContact CD1-CG1 3.97Å; L237-V284 HydrophobicContact CD1-CG2 4.03Å; V248-V284 HydrophobicContact CG2-CG1 4.36Å; V248-V284 HydrophobicContact CG2-CG2 4.39Å; F282-V284 HydrophobicContact CD2-CG1 3.82Å; F282-V284 HydrophobicContact CE2-CG1 3.5Å; F282-V284 VanDerWaalsContact CE2-CG1 3.5Å; V284-L300 HydrophobicContact CB-CD2 4.32Å; V284-G301 CarbonylContact C-O 3.31Å; V284-G301 VanDerWaalsContact CA-O 3.28Å; V284-G301 WeakPolarHBondContact CA-O 3.33Å
285	K	97.5	Very high	97.1	Very high	47 Å²	47	50.1 Å²	50.1	20%	0.204	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	125.3	170.3	174.9	164.2	-65.7	-132.2	0	108.6	P230 G231 E232 W233 L300 G301	P230-K285 HydrophobicContact CB-CD 4.1Å; P230-K285 HydrophobicContact CB-CG 4.32Å; G231-K285 VanDerWaalsContact O-CD 3.24Å; G231-K285 WeakPolarHBondContact O-CD 3.37Å; G231-K285 WeakPolarHBondContact O-CE 3.06Å; G231-K285 VanDerWaalsContact O-CG 3.25Å; G231-K285 WeakPolarHBondContact O-CG 2.98Å; G231-K285 PolarHBondContact O-NZ 2.81Å; E232-K285 IonicContact OE2-NZ 3.75Å; W233-K285 HydrophobicContact CD2-CB 3.94Å; W233-K285 HydrophobicContact CE3-CB 3.62Å; W233-K285 HydrophobicContact CH2-CB 3.85Å; W233-K285 HydrophobicContact CZ2-CB 4.15Å; W233-K285 HydrophobicContact CZ2-CD 4.29Å; W233-K285 HydrophobicContact CZ3-CB 3.58Å; K285-L300 WeakPolarHBondContact O-CA 2.98Å; K285-G301 PolarHBondContact N-O 3.4Å; K285-G301 PolarHBondContact O-N 2.79Å
286	C	96.9	Very high	97.1	Very high	10 Å²	10	44.1 Å²	44.1	7%	0.068	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	140.3	-173.5	-43.4	0	0	0	0	111.2	P230 G231 H251 C252 L298 L300	P230-C286 WeakPolarHBondContact CA-O 3.02Å; G231-C286 PolarHBondContact N-O 2.99Å; H251-C286 VanDerWaalsContact CD2-SG 3.53Å; C252-C286 WeakPolarHBondContact CA-SG 3.34Å; C252-C286 HydrophobicContact CB-CB 3.7Å; C252-C286 WeakPolarHBondContact CB-SG 3.12Å; C252-C286 WeakPolarHBondContact SG-CB 3.45Å; C252-C286 CovalentContact SG-SG 2.03Å; C252-C286 PolarHBondContact SG-SG 3.42Å; C286-L298 HydrophobicContact CB-CD1 4.21Å; C286-L300 HydrophobicContact CB-CD2 4.36Å
287	M	96	Very high	97	Very high	49 Å²	49	42 Å²	42	24%	0.241	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	122.4	160.3	-65.8	176.5	66.9	0	0	107	F227 P230 K299	F227-M287 HydrophobicContact CB-CB 4.46Å; F227-M287 HydrophobicContact CB-CE 3.93Å; F227-M287 HydrophobicContact CD1-CB 3.9Å; F227-M287 WeakPolarHBondContact CD1-O 3.04Å; F227-M287 WeakPolarHBondContact CE1-O 3.31Å; F227-M287 HydrophobicContact CG-CB 4.36Å; F227-M287 HydrophobicContact CG-CE 4.35Å; P230-M287 HydrophobicContact CB-CG 3.8Å; P230-M287 HydrophobicContact CB-SD 4.43Å; P230-M287 HydrophobicContact CG-CE 4.32Å; P230-M287 HydrophobicContact CG-CG 4Å; P230-M287 HydrophobicContact CG-SD 4.13Å; M287-K299 HydrophobicContact CB-CB 4.36Å; M287-K299 PolarHBondContact N-O 2.03Å; M287-K299 PolarHBondContact O-N 3.37Å
288	K	96.8	Very high	96.9	Very high	88 Å²	88	42.2 Å²	42.2	38%	0.383	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	143	-176	-173.3	-180	176	-173.6	0	110.3	F227 G228 H253 V254 E297 L298	F227-K288 WeakPolarHBondContact CA-O 3.38Å; F227-K288 VanDerWaalsContact CD1-C 3.47Å; G228-K288 PolarHBondContact N-O 3Å; H253-K288 PolarHBondContact O-NZ 3.2Å; V254-K288 HydrophobicContact CG1-CD 4.08Å; K288-E297 CarbonylContact C-O 3.59Å; K288-E297 WeakPolarHBondContact CA-O 3.41Å; K288-L298 HydrophobicContact CB-CD1 4.44Å
289	R	96.4	Very high	96.8	Very high	42 Å²	42	46 Å²	46	16%	0.158	22%	0.216	C	C	.	.			trans	-129.3	168.1	169.6	63.6	179.1	171.4	-172.9	4.7	109.5	C224 P225 A226 F227 C295 F296 E297	C224-R289 PolarHBondContact SG-NH1 3.41Å; P225-R289 HydrophobicContact CB-CB 4.43Å; P225-R289 WeakPolarHBondContact O-CD 3.5Å; A226-R289 WeakPolarHBondContact O-CB 3.31Å; F227-R289 HydrophobicContact CD1-CB 3.81Å; F227-R289 HydrophobicContact CD1-CG 3.97Å; F227-R289 HydrophobicContact CE1-CB 4.07Å; F227-R289 HydrophobicContact CE1-CG 3.68Å; F227-R289 HydrophobicContact CE2-CG 4.46Å; F227-R289 HydrophobicContact CG-CB 4.12Å; F227-R289 HydrophobicContact CG-CG 4.47Å; F227-R289 HydrophobicContact CZ-CG 3.95Å; R289-C295 VanDerWaalsContact NH2-C 3.28Å; R289-C295 VanDerWaalsContact NH2-CA 3.27Å; R289-F296 PolarHBondContact NE-O 3.08Å; R289-F296 VanDerWaalsContact NH2-N 3.19Å; R289-F296 PolarHBondContact NH2-O 3.17Å; R289-E297 PolarHBondContact N-O 2.89Å; R289-E297 WeakPolarHBondContact O-CB 3.02Å
290	D	95	Very high	96.7	Very high	123 Å²	123	45.1 Å²	45.1	66%	0.658	21%	0.214	S	C	*	.			trans	-68.8	149.3	173.5	-65	-28.5	0	0	0	111.3	P225	P225-D290 HydrophobicContact CB-CB 4.14Å; P225-D290 HydrophobicContact CG-CB 4.13Å
291	K	94.4	Very high	96.5	Very high	135 Å²	135	46 Å²	46	59%	0.587	23%	0.225	S	C	*	.			trans	-68.4	134.1	179.2	-64.8	-179.2	-168.5	175.1	0	109.8	E257 E297	E257-K291 WeakPolarHBondContact OE1-CD 3.16Å; E257-K291 WeakPolarHBondContact OE1-CE 3.03Å; E257-K291 IonicContact OE1-NZ 3.73Å; E257-K291 PolarHBondContact OE1-NZ 3.14Å; K291-E297 HydrophobicContact CG-CB 3.98Å; K291-E297 HydrophobicContact CG-CG 4.15Å
292	K	95.7	Very high	96.5	Very high	89 Å²	89	46.2 Å²	46.2	39%	0.387	23%	0.226	S	C	.	.	B	Isolated β-bridge	trans	-148.2	145.8	170.2	-171.8	-177.7	-175.3	-170.6	0	107.9	H222 D223 P225 C295	H222-K292 WeakPolarHBondContact O-CD 3.43Å; H222-K292 VanDerWaalsContact O-CE 3.22Å; H222-K292 WeakPolarHBondContact O-CE 3.34Å; H222-K292 PolarHBondContact O-NZ 3.14Å; D223-K292 VanDerWaalsContact CB-NZ 3.33Å; D223-K292 WeakPolarHBondContact O-CD 3.17Å; D223-K292 PolarHBondContact O-NZ 3.15Å; P225-K292 HydrophobicContact CG-CB 4.18Å; K292-C295 HydrophobicContact CB-CB 4.02Å; K292-C295 CarbonylContact O-C 3.6Å; K292-C295 WeakPolarHBondContact O-CA 3.48Å; K292-C295 WeakPolarHBondContact O-CB 3.13Å; K292-C295 PolarHBondContact O-N 3.21Å
293	D	94.8	Very high	96.5	Very high	128 Å²	128	48.5 Å²	48.5	68%	0.684	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	143.2	172.8	-171.5	41.5	0	0	0	110.6	C295 W352	D293-C295 PolarHBondContact O-N 2.69Å; D293-W352 WeakPolarHBondContact OD1-CZ2 3.43Å
294	G	95.4	Very high	96.5	Very high	11 Å²	11	45.9 Å²	45.9	11%	0.113	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	-8.3	-169.9	0	0	0	0	0	115.2
295	C	96.8	Very high	96.5	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.007	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-129.1	94.8	-166.9	-57.5	0	0	0	0	113.3	C224 R289 K292 D293 E297	C224-C295 WeakPolarHBondContact CA-SG 3.37Å; C224-C295 HydrophobicContact CB-CB 3.74Å; C224-C295 WeakPolarHBondContact CB-SG 3.45Å; C224-C295 WeakPolarHBondContact SG-CB 3.33Å; C224-C295 CovalentContact SG-SG 2.03Å; C224-C295 PolarHBondContact SG-SG 3.13Å; R289-C295 VanDerWaalsContact NH2-C 3.28Å; R289-C295 VanDerWaalsContact NH2-CA 3.27Å; K292-C295 HydrophobicContact CB-CB 4.02Å; K292-C295 CarbonylContact O-C 3.6Å; K292-C295 WeakPolarHBondContact O-CA 3.48Å; K292-C295 WeakPolarHBondContact O-CB 3.13Å; K292-C295 PolarHBondContact O-N 3.21Å; D293-C295 PolarHBondContact O-N 2.69Å; C295-E297 PolarHBondContact O-N 2.96Å
296	F	96.9	Very high	96.5	Very high	16 Å²	16	43.7 Å²	43.7	7%	0.07	22%	0.217	C	C	.	.			trans	-61.4	132.7	172.6	-164.9	-104.8	0	0	0	112.2	R289 L298 W352 K353 G356 Y357 L360	R289-F296 PolarHBondContact NE-O 3.08Å; R289-F296 VanDerWaalsContact NH2-N 3.19Å; R289-F296 PolarHBondContact NH2-O 3.17Å; F296-L298 WeakPolarHBondContact CD1-O 3.28Å; F296-L298 HydrophobicContact CE1-CB 4.22Å; F296-L298 VanDerWaalsContact CE1-O 3.29Å; F296-L298 WeakPolarHBondContact CE1-O 3.25Å; F296-W352 HydrophobicContact CB-CE3 4.29Å; F296-K353 HydrophobicContact CD2-CG 4.39Å; F296-K353 HydrophobicContact CE2-CG 4.43Å; F296-G356 VanDerWaalsContact CE1-C 3.46Å; F296-G356 VanDerWaalsContact CG-CA 3.5Å; F296-Y357 HydrophobicContact CE2-CD1 4.39Å; F296-Y357 AromaticContact CE2-CD2 3.86Å; F296-Y357 HydrophobicContact CE2-CD2 3.86Å; F296-Y357 HydrophobicContact CE2-CE1 4.4Å; F296-Y357 AromaticContact CE2-CE2 3.91Å; F296-Y357 HydrophobicContact CE2-CE2 3.91Å; F296-Y357 HydrophobicContact CE2-CG 4.11Å; F296-Y357 HydrophobicContact CZ-CD1 4.04Å; F296-Y357 HydrophobicContact CZ-CD2 4.3Å; F296-Y357 HydrophobicContact CZ-CE1 4.19Å; F296-Y357 HydrophobicContact CZ-CE2 4.47Å; F296-Y357 HydrophobicContact CZ-CG 4.08Å; F296-L360 HydrophobicContact CE1-CD1 3.96Å; F296-L360 HydrophobicContact CE1-CG 4.29Å; F296-L360 HydrophobicContact CZ-CD1 3.93Å
297	E	96	Very high	96.4	Very high	22 Å²	22	48.9 Å²	48.9	10%	0.103	24%	0.24	C	C	.	.			trans	-84.7	-17.8	-161.3	69.8	-77.5	-178	0	0	114.9	K288 R289 K291 C295	K288-E297 CarbonylContact C-O 3.59Å; K288-E297 WeakPolarHBondContact CA-O 3.41Å; R289-E297 PolarHBondContact N-O 2.89Å; R289-E297 WeakPolarHBondContact O-CB 3.02Å; K291-E297 HydrophobicContact CG-CB 3.98Å; K291-E297 HydrophobicContact CG-CG 4.15Å; C295-E297 PolarHBondContact O-N 2.96Å
298	L	96.6	Very high	96.4	Very high	13 Å²	13	54.1 Å²	54.1	7%	0.068	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	131.7	-173.1	-174.3	67.2	0	0	0	112.7	C252 V254 C286 K288 F296 L300 L360	C252-L298 HydrophobicContact CB-CD1 3.98Å; C252-L298 HydrophobicContact CB-CD2 4.42Å; V254-L298 HydrophobicContact CG1-CD1 4.31Å; V254-L298 HydrophobicContact CG1-CD2 4.3Å; V254-L298 HydrophobicContact CG2-CD2 4.34Å; C286-L298 HydrophobicContact CB-CD1 4.21Å; K288-L298 HydrophobicContact CB-CD1 4.44Å; F296-L298 WeakPolarHBondContact CD1-O 3.28Å; F296-L298 HydrophobicContact CE1-CB 4.22Å; F296-L298 VanDerWaalsContact CE1-O 3.29Å; F296-L298 WeakPolarHBondContact CE1-O 3.25Å; L298-L300 HydrophobicContact CD2-CG 4.48Å; L298-L360 HydrophobicContact CD2-CD1 4.23Å; L298-L360 HydrophobicContact CD2-CD2 4.26Å; L298-L360 HydrophobicContact CG-CD2 4.39Å
299	K	96.4	Very high	96.4	Very high	79 Å²	79	51.9 Å²	51.9	34%	0.343	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	132.6	167	-171.4	172.9	-173.8	169	0	109.6	E186 F227 M287	E186-K299 IonicContact OE1-NZ 3.47Å; E186-K299 PolarHBondContact OE1-NZ 3.04Å; E186-K299 IonicContact OE2-NZ 3.87Å; F227-K299 HydrophobicContact CE1-CB 4.28Å; F227-K299 HydrophobicContact CZ-CB 4.37Å; M287-K299 HydrophobicContact CB-CB 4.36Å; M287-K299 PolarHBondContact N-O 2.03Å; M287-K299 PolarHBondContact O-N 3.37Å
300	L	96.3	Very high	96.4	Very high	23 Å²	23	51 Å²	51	12%	0.12	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	133.4	175.3	-72	-179.9	0	0	0	111.4	V248 C252 V284 K285 C286 L298 L360	V248-L300 HydrophobicContact CG1-CD1 4.01Å; C252-L300 WeakPolarHBondContact SG-CD2 3.28Å; V284-L300 HydrophobicContact CB-CD2 4.32Å; K285-L300 WeakPolarHBondContact O-CA 2.98Å; C286-L300 HydrophobicContact CB-CD2 4.36Å; L298-L300 HydrophobicContact CD2-CG 4.48Å; L300-L360 HydrophobicContact CB-CD2 3.94Å; L300-L360 HydrophobicContact CD1-CB 4.32Å; L300-L360 HydrophobicContact CD1-CD2 3.49Å; L300-L360 VanDerWaalsContact CD1-CD2 3.49Å; L300-L360 HydrophobicContact CD1-CG 4.41Å; L300-L360 HydrophobicContact CG-CD2 3.47Å; L300-L360 VanDerWaalsContact CG-CD2 3.47Å
301	G	95.5	Very high	96.4	Very high	28 Å²	28	50 Å²	50	29%	0.289	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	150.4	157.2	0	0	0	0	0	110.7	V284 K285	V284-G301 CarbonylContact C-O 3.31Å; V284-G301 VanDerWaalsContact CA-O 3.28Å; V284-G301 WeakPolarHBondContact CA-O 3.33Å; K285-G301 PolarHBondContact N-O 3.4Å; K285-G301 PolarHBondContact O-N 2.79Å
302	K	97.8	Very high	96.5	Very high	5 Å²	5	45.4 Å²	45.4	2%	0.022	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	142.7	174.8	177	-179.8	179.6	175.6	0	110.7	T169 F282 R283 Q363	T169-K302 WeakPolarHBondContact CB-O 3.33Å; T169-K302 WeakPolarHBondContact CG2-O 3.47Å; F282-K302 HydrophobicContact CB-CD 4.44Å; F282-K302 HydrophobicContact CB-CG 4.05Å; F282-K302 HydrophobicContact CD2-CD 4.3Å; F282-K302 HydrophobicContact CD2-CG 3.95Å; F282-K302 HydrophobicContact CG-CD 4.45Å; F282-K302 HydrophobicContact CG-CG 4.29Å; R283-K302 WeakPolarHBondContact O-CA 3.42Å; K302-Q363 HydrophobicContact CD-CB 4.32Å; K302-Q363 WeakPolarHBondContact CD-O 3.05Å; K302-Q363 WeakPolarHBondContact CE-O 3.36Å; K302-Q363 PolarHBondContact NZ-O 2.82Å
303	K	98.3	Very high	96.6	Very high	52 Å²	52	41.2 Å²	41.2	23%	0.226	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	117.5	164.6	-178.7	175.6	-179.2	-166.8	0	108.2	T169 P171 W233 F282 R283	T169-K303 CarbonylContact O-C 3.55Å; P171-K303 WeakPolarHBondContact O-CE 3.17Å; P171-K303 PolarHBondContact O-NZ 3.45Å; W233-K303 HydrophobicContact CD2-CB 4.27Å; W233-K303 HydrophobicContact CE3-CB 3.89Å; W233-K303 HydrophobicContact CH2-CB 3.93Å; W233-K303 HydrophobicContact CZ2-CB 4.3Å; W233-K303 HydrophobicContact CZ3-CB 3.7Å; F282-K303 CarbonylContact C-O 3.53Å; F282-K303 WeakPolarHBondContact CA-O 3.17Å; R283-K303 HydrophobicContact CB-CB 4.42Å; R283-K303 PolarHBondContact N-O 2.9Å; R283-K303 PolarHBondContact O-N 3.3Å
304	S	98.4	Very high	96.8	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	149.6	175.8	-48.4	0	0	0	0	110	T169 P171	T169-S304 PolarHBondContact O-N 3.05Å; T169-S304 PolarHBondContact O-OG 2.85Å; P171-S304 WeakPolarHBondContact CA-O 3.38Å; P171-S304 WeakPolarHBondContact CB-O 3.41Å; P171-S304 WeakPolarHBondContact CD-O 3.46Å
305	C	98.6	Very high	96.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.216	C	C	.	.			trans	-91.5	138.3	177.3	-60.9	0	0	0	0	110.6	C236 Y279 S281 D309 C313	C236-C305 VanDerWaalsContact CA-SG 3.53Å; C236-C305 HydrophobicContact CB-CB 4.12Å; C236-C305 WeakPolarHBondContact CB-SG 3.48Å; C236-C305 WeakPolarHBondContact SG-CB 3.49Å; C236-C305 CovalentContact SG-SG 2.04Å; C236-C305 PolarHBondContact SG-SG 3.01Å; Y279-C305 WeakPolarHBondContact CD1-O 3.38Å; S281-C305 PolarHBondContact O-N 3.48Å; C305-D309 VanDerWaalsContact CA-OD2 3.27Å; C305-D309 WeakPolarHBondContact CA-OD2 3.4Å; C305-D309 HydrophobicContact CB-CB 3.77Å; C305-C313 HydrophobicContact CB-CB 4.21Å
306	G	97.4	Very high	97	Very high	3 Å²	3	40.4 Å²	40.4	3%	0.031	22%	0.221	C	C	.	.			trans	-120.2	-166.8	175.7	0	0	0	0	0	112.6	D308 D309 C310 C313	G306-D308 PolarHBondContact O-N 2.87Å; G306-D309 PolarHBondContact N-OD2 3.16Å; G306-D309 WeakPolarHBondContact O-CB 3.34Å; G306-D309 PolarHBondContact O-N 2.87Å; G306-C310 PolarHBondContact O-N 3.29Å; G306-C313 WeakPolarHBondContact O-CB 3.33Å
307	H	95.2	Very high	97	Very high	119 Å²	119	39.9 Å²	39.9	55%	0.551	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-41.8	179.9	-171.5	63.9	0	0	0	113	D309 C310 P311 S314	H307-D309 PolarHBondContact O-N 3.26Å; H307-C310 CarbonylContact O-C 3.09Å; H307-C310 PolarHBondContact O-N 3.26Å; H307-C310 VanDerWaalsContact O-O 3.09Å; H307-P311 PolarHBondContact ND1-O 3.39Å; H307-S314 WeakPolarHBondContact CB-OG 3.49Å; H307-S314 PolarHBondContact N-OG 2.87Å
308	D	95.7	Very high	97.1	Very high	159 Å²	159	41.8 Å²	41.8	85%	0.85	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-14.2	179.8	-55.8	-28	0	0	0	113.7	G306	G306-D308 PolarHBondContact O-N 2.87Å
309	D	97	Very high	97	Very high	42 Å²	42	42.9 Å²	42.9	23%	0.225	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-37.1	177.4	-66.3	-81.8	0	0	0	112.4	R283 C305 G306 H307	R283-D309 IonicContact CZ-OD1 3.01Å; R283-D309 VanDerWaalsContact CZ-OD1 3.29Å; R283-D309 IonicContact NE-OD1 2.72Å; R283-D309 PolarHBondContact NE-OD1 2.98Å; R283-D309 IonicContact NH2-OD1 3.36Å; R283-D309 PolarHBondContact NH2-OD1 2.83Å; C305-D309 VanDerWaalsContact CA-OD2 3.27Å; C305-D309 WeakPolarHBondContact CA-OD2 3.4Å; C305-D309 HydrophobicContact CB-CB 3.77Å; G306-D309 PolarHBondContact N-OD2 3.16Å; G306-D309 WeakPolarHBondContact O-CB 3.34Å; G306-D309 PolarHBondContact O-N 2.87Å; H307-D309 PolarHBondContact O-N 3.26Å
310	C	95.1	Very high	96.9	Very high	23 Å²	23	43.3 Å²	43.3	16%	0.155	24%	0.244	C	C	.	.	S	Bend	trans	-159.2	150.6	171	87.5	0	0	0	0	110.9	G306 H307 T312 C313	G306-C310 PolarHBondContact O-N 3.29Å; H307-C310 CarbonylContact O-C 3.09Å; H307-C310 PolarHBondContact O-N 3.26Å; H307-C310 VanDerWaalsContact O-O 3.09Å; C310-T312 VanDerWaalsContact C-N 3.29Å; C310-T312 PolarHBondContact O-N 2.81Å; C310-T312 VanDerWaalsContact O-N 3.11Å; C310-C313 HydrophobicContact CB-CB 4.2Å; C310-C313 WeakPolarHBondContact CB-SG 3.36Å; C310-C313 WeakPolarHBondContact O-CB 3.41Å; C310-C313 PolarHBondContact O-N 3.44Å; C310-C313 VanDerWaalsContact O-N 3.1Å; C310-C313 VanDerWaalsContact SG-CA 3.58Å; C310-C313 WeakPolarHBondContact SG-CB 3.36Å; C310-C313 PolarHBondContact SG-N 2.96Å; C310-C313 VanDerWaalsContact SG-N 3.39Å; C310-C313 CovalentContact SG-SG 2.04Å; C310-C313 PolarHBondContact SG-SG 2.75Å
311	P	95.9	Very high	96.8	Very high	102 Å²	102	45.5 Å²	45.5	66%	0.662	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-40.8	-168.2	-28.6	35.3	0	0	0	114.7	H307	H307-P311 PolarHBondContact ND1-O 3.39Å
312	T	97.3	Very high	96.6	Very high	39 Å²	39	46.1 Å²	46.1	24%	0.239	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-4	-174.6	48	0	0	0	0	113.9	K276 C277 C310 S314 D315	K276-T312 CarbonylContact O-C 3.6Å; K276-T312 WeakPolarHBondContact O-CB 3.24Å; K276-T312 VanDerWaalsContact O-O 3.05Å; K276-T312 PolarHBondContact O-OG1 3.24Å; K276-T312 VanDerWaalsContact O-OG1 3.07Å; C277-T312 WeakPolarHBondContact CA-O 3.09Å; C310-T312 VanDerWaalsContact C-N 3.29Å; C310-T312 PolarHBondContact O-N 2.81Å; C310-T312 VanDerWaalsContact O-N 3.11Å; T312-S314 VanDerWaalsContact C-N 3.26Å; T312-S314 PolarHBondContact O-N 2.89Å; T312-S314 VanDerWaalsContact O-N 3.13Å; T312-D315 WeakPolarHBondContact O-CB 3.3Å; T312-D315 PolarHBondContact O-N 2.82Å
313	C	98.1	Very high	96.2	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-32.4	-170.2	-86.7	0	0	0	0	113.7	K276 C277 G278 Y279 C305 G306 C310	K276-C313 WeakPolarHBondContact O-CA 3.5Å; K276-C313 PolarHBondContact O-N 2.04Å; C277-C313 CarbonylContact C-O 3.55Å; C277-C313 VanDerWaalsContact C-O 3.31Å; G278-C313 PolarHBondContact N-O 3.39Å; Y279-C313 WeakPolarHBondContact CA-O 3.41Å; Y279-C313 PolarHBondContact N-O 2.82Å; C305-C313 HydrophobicContact CB-CB 4.21Å; G306-C313 WeakPolarHBondContact O-CB 3.33Å; C310-C313 HydrophobicContact CB-CB 4.2Å; C310-C313 WeakPolarHBondContact CB-SG 3.36Å; C310-C313 WeakPolarHBondContact O-CB 3.41Å; C310-C313 PolarHBondContact O-N 3.44Å; C310-C313 VanDerWaalsContact O-N 3.1Å; C310-C313 VanDerWaalsContact SG-CA 3.58Å; C310-C313 WeakPolarHBondContact SG-CB 3.36Å; C310-C313 PolarHBondContact SG-N 2.96Å; C310-C313 VanDerWaalsContact SG-N 3.39Å; C310-C313 CovalentContact SG-SG 2.04Å; C310-C313 PolarHBondContact SG-SG 2.75Å
314	S	97.4	Very high	95.9	Very high	18 Å²	18	53.9 Å²	53.9	13%	0.126	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-17.2	177.2	49.5	0	0	0	0	114.7	Y279 H307 T312	Y279-S314 WeakPolarHBondContact CE2-O 3.31Å; Y279-S314 VanDerWaalsContact OH-CB 3.31Å; Y279-S314 WeakPolarHBondContact OH-CB 3.45Å; H307-S314 WeakPolarHBondContact CB-OG 3.49Å; H307-S314 PolarHBondContact N-OG 2.87Å; T312-S314 VanDerWaalsContact C-N 3.26Å; T312-S314 PolarHBondContact O-N 2.89Å; T312-S314 VanDerWaalsContact O-N 3.13Å
315	D	98	Very high	95.7	Very high	84 Å²	84	55.5 Å²	55.5	45%	0.449	32%	0.317	S	S	.	.	S	Bend	trans	-68.7	144.9	-176.1	-63.6	-15.5	0	0	0	109.9	G278 T312 C317	G278-D315 VanDerWaalsContact CA-O 3.29Å; G278-D315 WeakPolarHBondContact CA-O 3.38Å; G278-D315 PolarHBondContact N-O 3.27Å; T312-D315 WeakPolarHBondContact O-CB 3.3Å; T312-D315 PolarHBondContact O-N 2.82Å; D315-C317 PolarHBondContact O-N 2.03Å
316	I	98.3	Very high	95.5	Very high	21 Å²	21	56.2 Å²	56.2	11%	0.108	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-62.1	130.7	-179.6	-168	153	0	0	0	110.9	T318 K377 P385 G389 S390	I316-T318 PolarHBondContact O-N 2.78Å; I316-K377 HydrophobicContact CD1-CB 3.71Å; I316-K377 HydrophobicContact CG1-CB 4.04Å; I316-K377 HydrophobicContact CG2-CD 4.27Å; I316-P385 HydrophobicContact CD1-CB 3.85Å; I316-P385 HydrophobicContact CD1-CG 4.18Å; I316-G389 WeakPolarHBondContact CD1-O 3.18Å; I316-S390 VanDerWaalsContact CG2-O 3.25Å; I316-S390 WeakPolarHBondContact CG2-O 3.26Å
317	C	98.3	Very high	95.3	Very high	5 Å²	5	59.3 Å²	59.3	3%	0.034	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	133.4	176.9	-67.9	0	0	0	0	110	C277 G278 D315 K377 C378	C277-C317 HydrophobicContact CB-CB 4.03Å; C277-C317 WeakPolarHBondContact CB-SG 3.33Å; C277-C317 PolarHBondContact O-SG 3.26Å; C277-C317 VanDerWaalsContact O-SG 3.36Å; C277-C317 WeakPolarHBondContact SG-CA 3.27Å; C277-C317 WeakPolarHBondContact SG-CB 3.45Å; C277-C317 CovalentContact SG-SG 2.03Å; C277-C317 PolarHBondContact SG-SG 2.96Å; G278-C317 PolarHBondContact N-SG 2.81Å; D315-C317 PolarHBondContact O-N 2.03Å; C317-K377 CarbonylContact O-C 3.58Å; C317-K377 VanDerWaalsContact O-CA 3.29Å; C317-K377 WeakPolarHBondContact O-CA 2.85Å; C317-C378 HydrophobicContact CB-CB 4.09Å; C317-C378 WeakPolarHBondContact CB-O 3.2Å; C317-C378 PolarHBondContact N-O 3.36Å; C317-C378 PolarHBondContact O-N 3.18Å
318	T	97.3	Very high	95.1	Very high	62 Å²	62	54.9 Å²	54.9	38%	0.38	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	117.7	171	-58.7	0	0	0	0	109.2	I316 K375 C376 K377	I316-T318 PolarHBondContact O-N 2.78Å; T318-K375 HydrophobicContact CG2-CB 3.96Å; T318-K375 HydrophobicContact CG2-CD 4.45Å; T318-K375 HydrophobicContact CG2-CG 4.14Å; T318-C376 WeakPolarHBondContact CA-O 3.45Å; T318-K377 PolarHBondContact OG1-NZ 3.01Å
319	M	95.4	Very high	95	Very high	36 Å²	36	48 Å²	48	18%	0.177	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	156.3	-179.9	-62.5	-171.9	-66.7	0	0	111.4	P274 F328 P329 C376 C378	P274-M319 HydrophobicContact CG-CG 4.3Å; M319-F328 HydrophobicContact CB-CZ 4.42Å; M319-F328 HydrophobicContact CE-CE1 4.34Å; M319-F328 HydrophobicContact CE-CE2 4.32Å; M319-F328 HydrophobicContact CE-CZ 3.57Å; M319-F328 HydrophobicContact SD-CE2 4.49Å; M319-F328 HydrophobicContact SD-CZ 3.89Å; M319-P329 HydrophobicContact CE-CG 4.25Å; M319-C376 HydrophobicContact CB-CB 4.33Å; M319-C376 PolarHBondContact N-O 3.39Å; M319-C376 PolarHBondContact O-N 3.09Å; M319-C378 HydrophobicContact CE-CB 3.9Å; M319-C378 WeakPolarHBondContact CE-SG 3.37Å
320	D	94.5	Very high	94.8	Very high	89 Å²	89	51.2 Å²	51.2	48%	0.476	29%	0.293	S	S	.	.			trans	-71.2	153.3	169.5	-70	-45.7	0	0	0	111.8	K375	D320-K375 IonicContact OD1-NZ 2.59Å; D320-K375 PolarHBondContact OD1-NZ 3.24Å
321	K	94.2	Very high	94.7	Very high	69 Å²	69	55.1 Å²	55.1	30%	0.3	31%	0.307	S	S	.	.			trans	-68.2	147.1	171.2	-69.4	177	173.3	-163.3	0	110.2	E371 G374	K321-E371 VanDerWaalsContact CE-OE1 3.3Å; K321-E371 WeakPolarHBondContact CE-OE1 3.48Å; K321-E371 VanDerWaalsContact CE-OE2 3.24Å; K321-E371 WeakPolarHBondContact CE-OE2 3.32Å; K321-E371 IonicContact NZ-OE1 2.63Å; K321-E371 PolarHBondContact NZ-OE1 2.89Å; K321-E371 IonicContact NZ-OE2 3.07Å; K321-E371 PolarHBondContact NZ-OE2 2.88Å; K321-E371 VanDerWaalsContact NZ-OE2 3.07Å; K321-G374 WeakPolarHBondContact CE-O 3.03Å
322	I	90.7	Very high	94.5	Very high	40 Å²	40	52 Å²	52	21%	0.205	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-118.5	128.3	169.9	-55.9	-173.6	0	0	0	107.6	I271 G324 S325 F328	I271-I322 HydrophobicContact CD1-CD1 3.29Å; I271-I322 HydrophobicContact CG1-CD1 3.66Å; I322-G324 PolarHBondContact O-N 3.08Å; I322-S325 PolarHBondContact N-O 3.29Å; I322-S325 VanDerWaalsContact N-O 3.11Å; I322-S325 PolarHBondContact O-N 3.11Å; I322-S325 VanDerWaalsContact O-N 3.13Å; I322-S325 PolarHBondContact O-OG 2.83Å; I322-F328 HydrophobicContact CB-CB 4Å; I322-F328 HydrophobicContact CB-CD1 3.92Å; I322-F328 HydrophobicContact CB-CG 4.01Å; I322-F328 HydrophobicContact CD1-CB 4.2Å; I322-F328 HydrophobicContact CD1-CD1 3.95Å; I322-F328 HydrophobicContact CD1-CD2 3.61Å; I322-F328 HydrophobicContact CD1-CE1 4.21Å; I322-F328 HydrophobicContact CD1-CE2 3.89Å; I322-F328 HydrophobicContact CD1-CG 3.64Å; I322-F328 HydrophobicContact CD1-CZ 4.18Å; I322-F328 HydrophobicContact CG1-CB 4.43Å; I322-F328 HydrophobicContact CG1-CD1 3.77Å; I322-F328 HydrophobicContact CG1-CD2 4.36Å; I322-F328 HydrophobicContact CG1-CE1 4.07Å; I322-F328 HydrophobicContact CG1-CG 3.93Å; I322-F328 HydrophobicContact CG1-CZ 4.48Å
323	N	89.8	Confident	94.4	Very high	163 Å²	163	51 Å²	51	87%	0.872	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	43.4	-172.1	-60.4	-19.8	0	0	0	111.9	S325	N323-S325 VanDerWaalsContact C-N 3.27Å; N323-S325 PolarHBondContact O-N 3.4Å
324	G	91.3	Very high	94.2	Very high	57 Å²	57	52.4 Å²	52.4	59%	0.588	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.2	9.4	177.4	0	0	0	0	0	116.1	I322	I322-G324 PolarHBondContact O-N 3.08Å
325	S	93.8	Very high	94	Very high	34 Å²	34	56.8 Å²	56.8	24%	0.238	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-139.7	165.5	-173.4	73.7	0	0	0	0	114.4	I322 N323 V327	I322-S325 PolarHBondContact N-O 3.29Å; I322-S325 VanDerWaalsContact N-O 3.11Å; I322-S325 PolarHBondContact O-N 3.11Å; I322-S325 VanDerWaalsContact O-N 3.13Å; I322-S325 PolarHBondContact O-OG 2.83Å; N323-S325 VanDerWaalsContact C-N 3.27Å; N323-S325 PolarHBondContact O-N 3.4Å; S325-V327 WeakPolarHBondContact OG-CG2 3.31Å
326	C	95	Very high	93.9	Very high	15 Å²	15	53.1 Å²	53.1	10%	0.101	28%	0.281	C	S	.	.	S	Bend	trans	-100.8	12.6	174	-59.8	0	0	0	0	113.9	F328 P329 C369 C376	C326-F328 VanDerWaalsContact C-N 3.33Å; C326-P329 VanDerWaalsContact O-CD 3.26Å; C326-P329 WeakPolarHBondContact O-CD 3.09Å; C326-C369 HydrophobicContact CB-CB 3.99Å; C326-C376 WeakPolarHBondContact CA-SG 3.49Å; C326-C376 HydrophobicContact CB-CB 3.76Å; C326-C376 WeakPolarHBondContact CB-SG 3.27Å; C326-C376 WeakPolarHBondContact SG-CA 3.23Å; C326-C376 WeakPolarHBondContact SG-CB 3.45Å; C326-C376 CovalentContact SG-SG 2.03Å; C326-C376 PolarHBondContact SG-SG 3.42Å
327	V	94.1	Very high	93.9	Very high	68 Å²	68	52.8 Å²	52.8	41%	0.412	28%	0.278	S	S	.	.			trans	-85.4	-7.5	-178.3	-56.2	0	0	0	0	113.4	S325 P329 R330 K331	S325-V327 WeakPolarHBondContact OG-CG2 3.31Å; V327-P329 VanDerWaalsContact C-N 3.33Å; V327-R330 WeakPolarHBondContact O-CB 3.19Å; V327-R330 PolarHBondContact O-N 2.96Å; V327-K331 HydrophobicContact CG2-CG 4.41Å; V327-K331 PolarHBondContact O-N 3.04Å; V327-K331 VanDerWaalsContact O-N 3.1Å
328	F	91.1	Very high	93.8	Very high	26 Å²	26	55.8 Å²	55.8	11%	0.114	29%	0.294	C	S	.	.	H	α-helix	trans	-54.9	-37	-176.9	76.7	-94	0	0	0	114	M319 I322 C326 R330 K331 L332	M319-F328 HydrophobicContact CB-CZ 4.42Å; M319-F328 HydrophobicContact CE-CE1 4.34Å; M319-F328 HydrophobicContact CE-CE2 4.32Å; M319-F328 HydrophobicContact CE-CZ 3.57Å; M319-F328 HydrophobicContact SD-CE2 4.49Å; M319-F328 HydrophobicContact SD-CZ 3.89Å; I322-F328 HydrophobicContact CB-CB 4Å; I322-F328 HydrophobicContact CB-CD1 3.92Å; I322-F328 HydrophobicContact CB-CG 4.01Å; I322-F328 HydrophobicContact CD1-CB 4.2Å; I322-F328 HydrophobicContact CD1-CD1 3.95Å; I322-F328 HydrophobicContact CD1-CD2 3.61Å; I322-F328 HydrophobicContact CD1-CE1 4.21Å; I322-F328 HydrophobicContact CD1-CE2 3.89Å; I322-F328 HydrophobicContact CD1-CG 3.64Å; I322-F328 HydrophobicContact CD1-CZ 4.18Å; I322-F328 HydrophobicContact CG1-CB 4.43Å; I322-F328 HydrophobicContact CG1-CD1 3.77Å; I322-F328 HydrophobicContact CG1-CD2 4.36Å; I322-F328 HydrophobicContact CG1-CE1 4.07Å; I322-F328 HydrophobicContact CG1-CG 3.93Å; I322-F328 HydrophobicContact CG1-CZ 4.48Å; C326-F328 VanDerWaalsContact C-N 3.33Å; F328-R330 VanDerWaalsContact C-N 3.34Å; F328-R330 PolarHBondContact O-N 3.46Å; F328-K331 PolarHBondContact O-N 3.37Å; F328-L332 HydrophobicContact CD2-CD1 4.07Å; F328-L332 VanDerWaalsContact O-CG 3.31Å; F328-L332 WeakPolarHBondContact O-CG 3.25Å; F328-L332 PolarHBondContact O-N 3.49Å
329	P	92.5	Very high	93.7	Very high	16 Å²	16	55.4 Å²	55.4	10%	0.104	29%	0.29	C	S	.	.	H	α-helix	trans	-67.2	-37.7	-179.2	-19.5	34.1	0	0	0	112.3	M319 C326 V327 L332 K333 S367	M319-P329 HydrophobicContact CE-CG 4.25Å; C326-P329 VanDerWaalsContact O-CD 3.26Å; C326-P329 WeakPolarHBondContact O-CD 3.09Å; V327-P329 VanDerWaalsContact C-N 3.33Å; P329-L332 PolarHBondContact O-N 2.87Å; P329-K333 PolarHBondContact O-N 3.05Å; P329-S367 WeakPolarHBondContact CB-OG 3.49Å
330	R	92.8	Very high	93.8	Very high	108 Å²	108	53.7 Å²	53.7	41%	0.408	28%	0.281	S	S	.	.	H	α-helix	trans	-61.7	-47.3	172.1	-179.3	179.7	64.1	113.1	-14.3	110.4	V327 F328 L332 K333 E334	V327-R330 WeakPolarHBondContact O-CB 3.19Å; V327-R330 PolarHBondContact O-N 2.96Å; F328-R330 VanDerWaalsContact C-N 3.34Å; F328-R330 PolarHBondContact O-N 3.46Å; R330-L332 VanDerWaalsContact C-N 3.35Å; R330-L332 PolarHBondContact O-N 3.27Å; R330-K333 WeakPolarHBondContact O-CB 3.11Å; R330-K333 PolarHBondContact O-N 3.47Å; R330-K333 VanDerWaalsContact O-N 3.12Å; R330-E334 WeakPolarHBondContact CD-OE1 3.44Å; R330-E334 HydrophobicContact CG-CG 4.31Å; R330-E334 WeakPolarHBondContact CG-OE1 3.22Å; R330-E334 IonicContact CZ-OE1 3.81Å; R330-E334 IonicContact NE-OE1 2.85Å; R330-E334 IonicContact NH1-OE1 3.68Å; R330-E334 PolarHBondContact NH1-OE1 3.11Å; R330-E334 WeakPolarHBondContact O-CG 3.24Å; R330-E334 PolarHBondContact O-N 3.19Å
331	K	92.9	Very high	93.9	Very high	105 Å²	105	50.5 Å²	50.5	46%	0.457	27%	0.265	S	S	.	.	H	α-helix	trans	-61.1	-39.9	179.2	-71.5	-75.6	162.2	-150.8	0	113	V327 F328 K333 E334 K335	V327-K331 HydrophobicContact CG2-CG 4.41Å; V327-K331 PolarHBondContact O-N 3.04Å; V327-K331 VanDerWaalsContact O-N 3.1Å; F328-K331 PolarHBondContact O-N 3.37Å; K331-K333 VanDerWaalsContact C-N 3.34Å; K331-E334 WeakPolarHBondContact CD-OE2 3.45Å; K331-E334 WeakPolarHBondContact CE-OE2 3.12Å; K331-E334 IonicContact NZ-OE2 2.77Å; K331-E334 PolarHBondContact NZ-OE2 3.34Å; K331-E334 PolarHBondContact O-N 3.31Å; K331-K335 WeakPolarHBondContact O-CB 3.32Å; K331-K335 PolarHBondContact O-N 3.02Å
332	L	92.7	Very high	94	Very high	36 Å²	36	49.9 Å²	49.9	19%	0.188	27%	0.273	C	S	.	.	H	α-helix	trans	-64.7	-39.4	174.4	-68.8	176.9	0	0	0	111.7	V266 F328 P329 R330 L336	V266-L332 HydrophobicContact CB-CD2 4.24Å; V266-L332 HydrophobicContact CG2-CB 4.22Å; V266-L332 HydrophobicContact CG2-CD2 4.07Å; V266-L332 VanDerWaalsContact O-CD2 3.25Å; V266-L332 WeakPolarHBondContact O-CD2 3.03Å; F328-L332 HydrophobicContact CD2-CD1 4.07Å; F328-L332 VanDerWaalsContact O-CG 3.31Å; F328-L332 WeakPolarHBondContact O-CG 3.25Å; F328-L332 PolarHBondContact O-N 3.49Å; P329-L332 PolarHBondContact O-N 2.87Å; R330-L332 VanDerWaalsContact C-N 3.35Å; R330-L332 PolarHBondContact O-N 3.27Å; L332-L336 WeakPolarHBondContact O-CB 3.41Å; L332-L336 PolarHBondContact O-N 3.19Å
333	K	93.4	Very high	94.2	Very high	20 Å²	20	51.8 Å²	51.8	9%	0.087	28%	0.28	C	S	.	.	H	α-helix	trans	-69.1	-41.3	176.8	-170.3	68.4	173.2	177.7	0	112.4	P329 R330 K331 L336 W337 L361 Y366	P329-K333 PolarHBondContact O-N 3.05Å; R330-K333 WeakPolarHBondContact O-CB 3.11Å; R330-K333 PolarHBondContact O-N 3.47Å; R330-K333 VanDerWaalsContact O-N 3.12Å; K331-K333 VanDerWaalsContact C-N 3.34Å; K333-L336 PolarHBondContact O-N 2.9Å; K333-W337 VanDerWaalsContact CE-NE1 3.28Å; K333-W337 VanDerWaalsContact O-CD1 3.26Å; K333-W337 PolarHBondContact O-N 3.43Å; K333-L361 PolarHBondContact NZ-O 2.94Å; K333-L361 VanDerWaalsContact NZ-O 3.11Å; K333-Y366 HydrophobicContact CD-CD2 4.32Å; K333-Y366 HydrophobicContact CG-CD2 3.75Å; K333-Y366 HydrophobicContact CG-CE2 3.9Å
334	E	94.4	Very high	94.6	Very high	28 Å²	28	44.7 Å²	44.7	13%	0.131	24%	0.243	C	C	.	.	H	α-helix	trans	-56.9	-53.5	172.9	-71.6	171.5	-176.9	0	0	109.8	R330 K331 L336 W337 D338	R330-E334 WeakPolarHBondContact CD-OE1 3.44Å; R330-E334 HydrophobicContact CG-CG 4.31Å; R330-E334 WeakPolarHBondContact CG-OE1 3.22Å; R330-E334 IonicContact CZ-OE1 3.81Å; R330-E334 IonicContact NE-OE1 2.85Å; R330-E334 IonicContact NH1-OE1 3.68Å; R330-E334 PolarHBondContact NH1-OE1 3.11Å; R330-E334 WeakPolarHBondContact O-CG 3.24Å; R330-E334 PolarHBondContact O-N 3.19Å; K331-E334 WeakPolarHBondContact CD-OE2 3.45Å; K331-E334 WeakPolarHBondContact CE-OE2 3.12Å; K331-E334 IonicContact NZ-OE2 2.77Å; K331-E334 PolarHBondContact NZ-OE2 3.34Å; K331-E334 PolarHBondContact O-N 3.31Å; E334-L336 VanDerWaalsContact C-N 3.34Å; E334-L336 PolarHBondContact O-N 3.15Å; E334-W337 PolarHBondContact O-N 2.66Å; E334-W337 VanDerWaalsContact O-N 3.11Å; E334-D338 VanDerWaalsContact O-CG 3.3Å; E334-D338 PolarHBondContact O-N 2.75Å
335	K	94.7	Very high	94.8	Very high	110 Å²	110	46.4 Å²	46.4	48%	0.478	23%	0.234	S	C	.	.	H	α-helix	trans	-55.7	-46.1	177	-178	175.3	-179.9	178	0	112.7	V266 K331 W337 D338 D339	V266-K335 HydrophobicContact CB-CD 4.36Å; V266-K335 HydrophobicContact CG1-CD 4.21Å; V266-K335 HydrophobicContact CG1-CG 4.28Å; K331-K335 WeakPolarHBondContact O-CB 3.32Å; K331-K335 PolarHBondContact O-N 3.02Å; K335-W337 VanDerWaalsContact C-N 3.31Å; K335-W337 PolarHBondContact O-N 3.04Å; K335-D338 PolarHBondContact O-N 2.85Å; K335-D339 WeakPolarHBondContact O-CB 3.48Å; K335-D339 VanDerWaalsContact O-CG 3.23Å; K335-D339 PolarHBondContact O-N 3.31Å
336	L	95.7	Very high	94.8	Very high	8 Å²	8	50.3 Å²	50.3	4%	0.042	25%	0.248	C	C	.	.	H	α-helix	trans	-61.4	-38.6	178.9	178.7	62.7	0	0	0	112.7	P263 L332 K333 E334 F340 L361 L364	P263-L336 HydrophobicContact CB-CD1 3.57Å; L332-L336 WeakPolarHBondContact O-CB 3.41Å; L332-L336 PolarHBondContact O-N 3.19Å; K333-L336 PolarHBondContact O-N 2.9Å; E334-L336 VanDerWaalsContact C-N 3.34Å; E334-L336 PolarHBondContact O-N 3.15Å; L336-F340 WeakPolarHBondContact O-CB 3.17Å; L336-F340 PolarHBondContact O-N 3.02Å; L336-F340 VanDerWaalsContact O-N 3.1Å; L336-L361 HydrophobicContact CD1-CD1 4.41Å; L336-L361 HydrophobicContact CD2-CD1 3.94Å; L336-L361 HydrophobicContact CG-CD1 4.17Å; L336-L361 HydrophobicContact CG-CD2 4.46Å; L336-L364 HydrophobicContact CD2-CD1 3.58Å
337	W	97.1	Very high	94.8	Very high	13 Å²	13	53.3 Å²	53.3	5%	0.049	26%	0.26	C	S	.	.	H	α-helix	trans	-73	-40.1	176.1	-85	117.7	0	0	0	112.6	H152 L153 F159 K333 E334 K335 D339 F340 T341 A358 L361 M362	H152-W337 HydrophobicContact CB-CB 3.84Å; H152-W337 CarbonylContact O-C 3.59Å; L153-W337 HydrophobicContact CD2-CD2 4.07Å; L153-W337 HydrophobicContact CD2-CE3 4.12Å; L153-W337 HydrophobicContact CD2-CH2 4.27Å; L153-W337 HydrophobicContact CD2-CZ2 4.22Å; L153-W337 HydrophobicContact CD2-CZ3 4.2Å; F159-W337 HydrophobicContact CD2-CH2 4.24Å; F159-W337 AromaticContact CE2-CH2 3.93Å; F159-W337 HydrophobicContact CE2-CH2 3.93Å; F159-W337 AromaticContact CE2-CZ3 3.8Å; F159-W337 HydrophobicContact CE2-CZ3 3.8Å; F159-W337 HydrophobicContact CZ-CZ3 4.27Å; K333-W337 VanDerWaalsContact CE-NE1 3.28Å; K333-W337 VanDerWaalsContact O-CD1 3.26Å; K333-W337 PolarHBondContact O-N 3.43Å; E334-W337 PolarHBondContact O-N 2.66Å; E334-W337 VanDerWaalsContact O-N 3.11Å; K335-W337 VanDerWaalsContact C-N 3.31Å; K335-W337 PolarHBondContact O-N 3.04Å; W337-D339 VanDerWaalsContact C-N 3.35Å; W337-F340 AromaticContact CE3-CD1 3.82Å; W337-F340 HydrophobicContact CE3-CD1 3.82Å; W337-F340 AromaticContact CZ3-CD1 3.69Å; W337-F340 HydrophobicContact CZ3-CD1 3.69Å; W337-F340 HydrophobicContact CZ3-CE1 4.01Å; W337-F340 PolarHBondContact O-N 2.75Å; W337-T341 WeakPolarHBondContact O-CB 2.99Å; W337-T341 PolarHBondContact O-N 2.65Å; W337-T341 PolarHBondContact O-OG1 3.17Å; W337-T341 VanDerWaalsContact O-OG1 3.06Å; W337-A358 HydrophobicContact CH2-CB 4.19Å; W337-A358 WeakPolarHBondContact CH2-O 3.22Å; W337-A358 HydrophobicContact CZ3-CB 4.1Å; W337-L361 HydrophobicContact CD2-CD2 3.99Å; W337-L361 HydrophobicContact CE3-CD2 3.78Å; W337-L361 HydrophobicContact CH2-CB 3.86Å; W337-L361 HydrophobicContact CH2-CD2 3.9Å; W337-L361 HydrophobicContact CH2-CG 4.12Å; W337-L361 HydrophobicContact CZ2-CB 4.13Å; W337-L361 HydrophobicContact CZ2-CD2 4.1Å; W337-L361 HydrophobicContact CZ2-CG 4.07Å; W337-L361 HydrophobicContact CZ3-CB 4.43Å; W337-L361 HydrophobicContact CZ3-CD2 3.75Å; W337-L361 HydrophobicContact CZ3-CG 4.47Å; W337-M362 HydrophobicContact CH2-CG 3.79Å; W337-M362 HydrophobicContact CH2-SD 3.86Å; W337-M362 HydrophobicContact CZ2-CG 3.72Å; W337-M362 HydrophobicContact CZ2-SD 3.31Å; W337-M362 WeakPolarHBondContact CZ2-SD 3.28Å
338	D	96.1	Very high	94.9	Very high	68 Å²	68	58 Å²	58	36%	0.364	28%	0.277	S	S	.	.	H	α-helix	trans	-60.9	-45.6	175.4	-69.1	-31.1	0	0	0	110.7	H152 E334 K335 T341 A342	H152-D338 VanDerWaalsContact CA-OD1 3.23Å; H152-D338 WeakPolarHBondContact CA-OD1 3.37Å; H152-D338 WeakPolarHBondContact CB-OD1 3.44Å; H152-D338 IonicContact CE1-OD2 3.54Å; H152-D338 IonicContact CG-OD1 3.38Å; H152-D338 VanDerWaalsContact ND1-CG 3.3Å; H152-D338 IonicContact ND1-OD1 3.02Å; H152-D338 PolarHBondContact ND1-OD1 3.2Å; H152-D338 IonicContact ND1-OD2 2.81Å; H152-D338 PolarHBondContact ND1-OD2 3.49Å; E334-D338 VanDerWaalsContact O-CG 3.3Å; E334-D338 PolarHBondContact O-N 2.75Å; K335-D338 PolarHBondContact O-N 2.85Å; D338-T341 PolarHBondContact O-N 3.02Å; D338-A342 WeakPolarHBondContact O-CB 3.49Å; D338-A342 PolarHBondContact O-N 3.29Å
339	D	95.7	Very high	95.1	Very high	55 Å²	55	58 Å²	58	29%	0.294	28%	0.277	S	S	.	.	H	α-helix	trans	-60.4	-46.2	175.6	-72.5	-16.9	0	0	0	111.2	K335 W337 A342 K343	K335-D339 WeakPolarHBondContact O-CB 3.48Å; K335-D339 VanDerWaalsContact O-CG 3.23Å; K335-D339 PolarHBondContact O-N 3.31Å; W337-D339 VanDerWaalsContact C-N 3.35Å; D339-A342 PolarHBondContact O-N 3.21Å; D339-K343 WeakPolarHBondContact O-CB 3.27Å; D339-K343 VanDerWaalsContact O-CG 3.29Å; D339-K343 WeakPolarHBondContact O-CG 3.49Å; D339-K343 PolarHBondContact O-N 3.1Å
340	F	97.3	Very high	95.2	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-61.5	-47.5	176.5	173.3	-110.9	0	0	0	112.2	Y261 L336 W337 A342 K343 S344 R354 A358 L361	Y261-F340 AromaticContact CD1-CD2 3.56Å; Y261-F340 HydrophobicContact CD1-CD2 3.56Å; Y261-F340 AromaticContact CD1-CE2 3.94Å; Y261-F340 HydrophobicContact CD1-CE2 3.94Å; Y261-F340 AromaticContact CD2-CD2 3.94Å; Y261-F340 HydrophobicContact CD2-CD2 3.94Å; Y261-F340 HydrophobicContact CE1-CB 4.22Å; Y261-F340 AromaticContact CE1-CD2 3.48Å; Y261-F340 HydrophobicContact CE1-CD2 3.48Å; Y261-F340 VanDerWaalsContact CE1-CD2 3.48Å; Y261-F340 HydrophobicContact CE1-CE2 4.28Å; Y261-F340 HydrophobicContact CE1-CG 4.2Å; Y261-F340 HydrophobicContact CE2-CB 4.21Å; Y261-F340 AromaticContact CE2-CD2 3.89Å; Y261-F340 HydrophobicContact CE2-CD2 3.89Å; Y261-F340 AromaticContact CG-CD2 3.78Å; Y261-F340 HydrophobicContact CG-CD2 3.78Å; Y261-F340 HydrophobicContact CG-CE2 4.11Å; Y261-F340 AromaticContact CZ-CD2 3.66Å; L336-F340 WeakPolarHBondContact O-CB 3.17Å; L336-F340 PolarHBondContact O-N 3.02Å; L336-F340 VanDerWaalsContact O-N 3.1Å; W337-F340 AromaticContact CE3-CD1 3.82Å; W337-F340 HydrophobicContact CE3-CD1 3.82Å; W337-F340 AromaticContact CZ3-CD1 3.69Å; W337-F340 HydrophobicContact CZ3-CD1 3.69Å; W337-F340 HydrophobicContact CZ3-CE1 4.01Å; W337-F340 PolarHBondContact O-N 2.75Å; F340-A342 VanDerWaalsContact C-N 3.34Å; F340-A342 PolarHBondContact O-N 3.46Å; F340-K343 PolarHBondContact O-N 3.13Å; F340-S344 PolarHBondContact O-N 3.03Å; F340-R354 HydrophobicContact CE1-CG 4.35Å; F340-R354 HydrophobicContact CZ-CG 4.15Å; F340-R354 WeakPolarHBondContact CZ-O 2.87Å; F340-A358 HydrophobicContact CE1-CB 3.74Å; F340-A358 HydrophobicContact CZ-CB 4.06Å; F340-L361 HydrophobicContact CB-CD2 3.77Å; F340-L361 HydrophobicContact CD1-CD2 4.09Å; F340-L361 HydrophobicContact CD2-CD2 4.43Å; F340-L361 HydrophobicContact CG-CD2 3.82Å
341	T	96.6	Very high	95.4	Very high	21 Å²	21	55.7 Å²	55.7	13%	0.129	27%	0.274	C	S	.	.	H	α-helix	trans	-62.2	-42.6	-179.9	-66.2	0	0	0	0	110.7	H152 W337 D338 S344 K345	H152-T341 PolarHBondContact O-OG1 3.01Å; W337-T341 WeakPolarHBondContact O-CB 2.99Å; W337-T341 PolarHBondContact O-N 2.65Å; W337-T341 PolarHBondContact O-OG1 3.17Å; W337-T341 VanDerWaalsContact O-OG1 3.06Å; D338-T341 PolarHBondContact O-N 3.02Å; T341-S344 PolarHBondContact O-OG 3.16Å; T341-K345 PolarHBondContact O-N 3.07Å
342	A	95.9	Very high	95.6	Very high	56 Å²	56	53.2 Å²	53.2	46%	0.463	26%	0.262	S	S	.	.	H	α-helix	trans	-62.6	-48.1	173.9	0	0	0	0	0	111.7	D338 D339 F340 S344 K345 E346	D338-A342 WeakPolarHBondContact O-CB 3.49Å; D338-A342 PolarHBondContact O-N 3.29Å; D339-A342 PolarHBondContact O-N 3.21Å; F340-A342 VanDerWaalsContact C-N 3.34Å; F340-A342 PolarHBondContact O-N 3.46Å; A342-S344 VanDerWaalsContact C-N 3.33Å; A342-S344 PolarHBondContact O-N 3.29Å; A342-K345 WeakPolarHBondContact O-CB 3.39Å; A342-K345 PolarHBondContact O-N 3.17Å; A342-K345 VanDerWaalsContact O-N 3.1Å; A342-E346 PolarHBondContact O-N 3.37Å
343	K	96.3	Very high	95.8	Very high	81 Å²	81	52.5 Å²	52.5	35%	0.352	26%	0.257	S	S	.	.	H	α-helix	trans	-63.5	-34.7	179.2	-74.8	-65.5	178.9	-160.4	0	113.5	Y261 D339 F340 K345 E346 K347	Y261-K343 HydrophobicContact CD2-CB 4.2Å; Y261-K343 HydrophobicContact CE2-CB 4.29Å; Y261-K343 HydrophobicContact CE2-CG 4.46Å; D339-K343 WeakPolarHBondContact O-CB 3.27Å; D339-K343 VanDerWaalsContact O-CG 3.29Å; D339-K343 WeakPolarHBondContact O-CG 3.49Å; D339-K343 PolarHBondContact O-N 3.1Å; F340-K343 PolarHBondContact O-N 3.13Å; K343-K345 PolarHBondContact O-N 3.39Å; K343-E346 WeakPolarHBondContact CD-OE2 3.29Å; K343-E346 WeakPolarHBondContact CE-OE2 3.46Å; K343-E346 IonicContact NZ-OE1 3.8Å; K343-E346 PolarHBondContact NZ-OE1 2.81Å; K343-E346 IonicContact NZ-OE2 2.75Å; K343-E346 PolarHBondContact NZ-OE2 2.93Å; K343-E346 PolarHBondContact O-N 3.37Å; K343-K347 WeakPolarHBondContact O-CB 3.05Å; K343-K347 WeakPolarHBondContact O-CG 3.04Å; K343-K347 PolarHBondContact O-N 3.49Å
344	S	96.3	Very high	95.9	Very high	14 Å²	14	52.6 Å²	52.6	10%	0.098	26%	0.257	C	S	.	.	H	α-helix	trans	-62.6	-31.3	175.3	70.7	0	0	0	0	112.8	F340 T341 A342 H348 M349	F340-S344 PolarHBondContact O-N 3.03Å; T341-S344 PolarHBondContact O-OG 3.16Å; A342-S344 VanDerWaalsContact C-N 3.33Å; A342-S344 PolarHBondContact O-N 3.29Å; S344-H348 PolarHBondContact O-N 3.17Å; S344-M349 PolarHBondContact O-N 2.74Å
345	K	95.4	Very high	96.1	Very high	92 Å²	92	51.5 Å²	51.5	40%	0.4	25%	0.253	S	S	.	.	H	α-helix	trans	-78.8	-45.9	176	-65.4	177.1	179	-168.9	0	111.5	E195 T341 A342 K343 K347 H348	E195-K345 IonicContact OE1-NZ 3.53Å; E195-K345 PolarHBondContact OE1-NZ 3.14Å; E195-K345 WeakPolarHBondContact OE2-CE 3.37Å; E195-K345 IonicContact OE2-NZ 3.51Å; E195-K345 PolarHBondContact OE2-NZ 2.97Å; T341-K345 PolarHBondContact O-N 3.07Å; A342-K345 WeakPolarHBondContact O-CB 3.39Å; A342-K345 PolarHBondContact O-N 3.17Å; A342-K345 VanDerWaalsContact O-N 3.1Å; K343-K345 PolarHBondContact O-N 3.39Å; K345-K347 PolarHBondContact O-N 2.94Å; K345-H348 PolarHBondContact O-N 2.89Å
346	E	95.5	Very high	96.2	Very high	117 Å²	117	46.7 Å²	46.7	55%	0.547	23%	0.234	S	C	.	.	H	α-helix	trans	-56.4	-39.3	176.2	-176.8	-173.7	135.3	0	0	111.8	A342 K343 H348	A342-E346 PolarHBondContact O-N 3.37Å; K343-E346 WeakPolarHBondContact CD-OE2 3.29Å; K343-E346 WeakPolarHBondContact CE-OE2 3.46Å; K343-E346 IonicContact NZ-OE1 3.8Å; K343-E346 PolarHBondContact NZ-OE1 2.81Å; K343-E346 IonicContact NZ-OE2 2.75Å; K343-E346 PolarHBondContact NZ-OE2 2.93Å; K343-E346 PolarHBondContact O-N 3.37Å; E346-H348 VanDerWaalsContact C-N 3.33Å
347	K	95.1	Very high	96.3	Very high	78 Å²	78	47.4 Å²	47.4	34%	0.339	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	7.4	179.4	-64.3	-164.8	169	-155.2	0	114.3	D259 G260 K343 K345 M349	D259-K347 VanDerWaalsContact C-NZ 3.34Å; D259-K347 VanDerWaalsContact O-CD 3.29Å; D259-K347 WeakPolarHBondContact O-CD 2.95Å; D259-K347 PolarHBondContact O-NZ 3.1Å; D259-K347 VanDerWaalsContact O-NZ 3.09Å; G260-K347 PolarHBondContact O-NZ 3.25Å; K343-K347 WeakPolarHBondContact O-CB 3.05Å; K343-K347 WeakPolarHBondContact O-CG 3.04Å; K343-K347 PolarHBondContact O-N 3.49Å; K345-K347 PolarHBondContact O-N 2.94Å; K347-M349 HydrophobicContact CB-CE 4.07Å; K347-M349 HydrophobicContact CB-CG 4.14Å; K347-M349 HydrophobicContact CD-CE 3.87Å; K347-M349 HydrophobicContact CG-CE 4.49Å; K347-M349 PolarHBondContact O-N 3.34Å; K347-M349 VanDerWaalsContact O-N 3.15Å
348	H	94.9	Very high	96.4	Very high	166 Å²	166	46.8 Å²	46.8	77%	0.769	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	49	41	-178.4	-57.1	-74.2	0	0	0	113.6	S344 K345 E346 P350	S344-H348 PolarHBondContact O-N 3.17Å; K345-H348 PolarHBondContact O-N 2.89Å; E346-H348 VanDerWaalsContact C-N 3.33Å; H348-P350 WeakPolarHBondContact O-CD 2.96Å
349	M	95.7	Very high	96.4	Very high	25 Å²	25	46.9 Å²	46.9	12%	0.123	23%	0.231	C	C	.	.			trans	-65.3	125.6	-176.5	-66.9	-174.3	-177.8	0	0	110.4	S344 K347 R354 Y357	S344-M349 PolarHBondContact O-N 2.74Å; K347-M349 HydrophobicContact CB-CE 4.07Å; K347-M349 HydrophobicContact CB-CG 4.14Å; K347-M349 HydrophobicContact CD-CE 3.87Å; K347-M349 HydrophobicContact CG-CE 4.49Å; K347-M349 PolarHBondContact O-N 3.34Å; K347-M349 VanDerWaalsContact O-N 3.15Å; M349-R354 HydrophobicContact CB-CB 4.1Å; M349-Y357 HydrophobicContact CE-CD2 4.37Å; M349-Y357 HydrophobicContact CE-CE2 4.44Å; M349-Y357 HydrophobicContact SD-CD2 4.24Å
350	P	95.3	Very high	96.5	Very high	53 Å²	53	46 Å²	46	34%	0.344	23%	0.226	S	C	.	.			trans	-63.3	157.4	167.6	28.9	-35.2	0	0	0	109.8	H348 W352 K353 R354	H348-P350 WeakPolarHBondContact O-CD 2.96Å; P350-W352 HydrophobicContact CB-CG 4.47Å; P350-W352 HydrophobicContact CG-CD2 4.11Å; P350-W352 HydrophobicContact CG-CG 4.4Å; P350-W352 HydrophobicContact CG-CZ2 3.6Å; P350-W352 VanDerWaalsContact CG-NE1 3.3Å; P350-W352 PolarHBondContact O-N 3.4Å; P350-W352 VanDerWaalsContact O-N 3.16Å; P350-K353 HydrophobicContact CG-CB 4.03Å; P350-K353 PolarHBondContact O-N 2.75Å; P350-R354 PolarHBondContact O-N 3.37Å
351	H	96.3	Very high	96.5	Very high	23 Å²	23	46.4 Å²	46.4	11%	0.106	23%	0.228	C	C	.	.	H	α-helix	trans	-54.6	-40.4	-173.1	70.6	82	0	0	0	112.1	H192 C193 E208 K353 R354 D355	H192-H351 AromaticContact CG-CE1 3.73Å; H192-H351 AromaticContact ND1-CE1 3.48Å; H192-H351 PolarHBondContact ND1-CE1 3.48Å; H192-H351 AromaticContact ND1-ND1 3.66Å; C193-H351 WeakPolarHBondContact O-CB 3.34Å; E208-H351 VanDerWaalsContact CD-NE2 3.31Å; E208-H351 IonicContact OE1-CE1 2.7Å; E208-H351 IonicContact OE1-NE2 3.65Å; E208-H351 IonicContact OE2-CD2 2.77Å; E208-H351 IonicContact OE2-CE1 2.9Å; E208-H351 PolarHBondContact OE2-CE1 3.31Å; E208-H351 IonicContact OE2-NE2 3.02Å; E208-H351 PolarHBondContact OE2-NE2 2.84Å; H351-K353 PolarHBondContact O-N 3.46Å; H351-R354 PolarHBondContact O-N 3.26Å; H351-D355 VanDerWaalsContact O-CB 3.24Å; H351-D355 WeakPolarHBondContact O-CB 3.18Å; H351-D355 PolarHBondContact O-N 3.36Å
352	W	96.5	Very high	96.5	Very high	53 Å²	53	46.6 Å²	46.6	20%	0.201	23%	0.228	C	C	.	.	H	α-helix	trans	-63.7	-37	-179.9	62.7	-102.5	0	0	0	113.2	D293 F296 P350 G356	D293-W352 WeakPolarHBondContact OD1-CZ2 3.43Å; F296-W352 HydrophobicContact CB-CE3 4.29Å; P350-W352 HydrophobicContact CB-CG 4.47Å; P350-W352 HydrophobicContact CG-CD2 4.11Å; P350-W352 HydrophobicContact CG-CG 4.4Å; P350-W352 HydrophobicContact CG-CZ2 3.6Å; P350-W352 VanDerWaalsContact CG-NE1 3.3Å; P350-W352 PolarHBondContact O-N 3.4Å; P350-W352 VanDerWaalsContact O-N 3.16Å; W352-G356 PolarHBondContact O-N 3.21Å; W352-G356 VanDerWaalsContact O-N 3.1Å
353	K	96.7	Very high	96.6	Very high	21 Å²	21	44.3 Å²	44.3	9%	0.091	21%	0.208	C	C	.	.	H	α-helix	trans	-75.1	-43.8	177.5	-170.7	164.7	-176.2	160.9	0	110.5	E257 D259 F296 P350 H351 G356 Y357	E257-K353 IonicContact OE2-NZ 2.87Å; E257-K353 PolarHBondContact OE2-NZ 3.01Å; D259-K353 IonicContact OD1-NZ 3.72Å; D259-K353 IonicContact OD2-NZ 3.5Å; D259-K353 PolarHBondContact OD2-NZ 2.91Å; F296-K353 HydrophobicContact CD2-CG 4.39Å; F296-K353 HydrophobicContact CE2-CG 4.43Å; P350-K353 HydrophobicContact CG-CB 4.03Å; P350-K353 PolarHBondContact O-N 2.75Å; H351-K353 PolarHBondContact O-N 3.46Å; K353-G356 PolarHBondContact O-N 3.45Å; K353-Y357 HydrophobicContact CD-CE2 4.46Å; K353-Y357 HydrophobicContact CG-CD2 4.13Å; K353-Y357 HydrophobicContact CG-CE2 3.93Å; K353-Y357 WeakPolarHBondContact O-CD2 3.16Å; K353-Y357 PolarHBondContact O-N 3.2Å; K353-Y357 VanDerWaalsContact O-N 3.11Å
354	R	97.5	Very high	96.6	Very high	22 Å²	22	41.4 Å²	41.4	8%	0.083	20%	0.196	C	C	.	.	H	α-helix	trans	-59.8	-48	175.6	-171.6	-78.9	-55.6	-130.7	2.2	111	C155 F340 M349 P350 H351 G356 Y357 A358	C155-R354 VanDerWaalsContact C-NH1 3.26Å; C155-R354 VanDerWaalsContact O-CZ 3.28Å; C155-R354 PolarHBondContact O-NH1 2.86Å; C155-R354 PolarHBondContact O-NH2 2.04Å; F340-R354 HydrophobicContact CE1-CG 4.35Å; F340-R354 HydrophobicContact CZ-CG 4.15Å; F340-R354 WeakPolarHBondContact CZ-O 2.87Å; M349-R354 HydrophobicContact CB-CB 4.1Å; P350-R354 PolarHBondContact O-N 3.37Å; H351-R354 PolarHBondContact O-N 3.26Å; R354-G356 VanDerWaalsContact C-N 3.31Å; R354-G356 PolarHBondContact O-N 3.43Å; R354-Y357 PolarHBondContact O-N 3.44Å; R354-A358 VanDerWaalsContact O-CB 3.25Å; R354-A358 WeakPolarHBondContact O-CB 3.32Å; R354-A358 PolarHBondContact O-N 2.93Å
355	D	97.7	Very high	96.7	Very high	6 Å²	6	41.4 Å²	41.4	3%	0.032	20%	0.195	C	C	.	.	H	α-helix	trans	-66.9	-34.6	-179.2	-68.6	-9.8	0	0	0	111.9	A158 H351 K359	A158-D355 HydrophobicContact CB-CB 4.21Å; A158-D355 VanDerWaalsContact CB-CG 3.45Å; A158-D355 WeakPolarHBondContact CB-OD2 3.18Å; H351-D355 VanDerWaalsContact O-CB 3.24Å; H351-D355 WeakPolarHBondContact O-CB 3.18Å; H351-D355 PolarHBondContact O-N 3.36Å; D355-K359 WeakPolarHBondContact O-CB 2.83Å; D355-K359 VanDerWaalsContact O-CG 3.26Å; D355-K359 WeakPolarHBondContact O-CG 2.77Å; D355-K359 PolarHBondContact O-N 3Å
356	G	97.2	Very high	96.7	Very high	8 Å²	8	41.1 Å²	41.1	8%	0.082	19%	0.193	C	C	.	.	H	α-helix	trans	-55.5	-61.9	170.5	0	0	0	0	0	112.2	F296 W352 K353 R354 A358 K359 L360	F296-G356 VanDerWaalsContact CE1-C 3.46Å; F296-G356 VanDerWaalsContact CG-CA 3.5Å; W352-G356 PolarHBondContact O-N 3.21Å; W352-G356 VanDerWaalsContact O-N 3.1Å; K353-G356 PolarHBondContact O-N 3.45Å; R354-G356 VanDerWaalsContact C-N 3.31Å; R354-G356 PolarHBondContact O-N 3.43Å; G356-A358 VanDerWaalsContact C-N 3.3Å; G356-A358 PolarHBondContact O-N 3.09Å; G356-K359 PolarHBondContact O-N 2.89Å; G356-L360 WeakPolarHBondContact O-CG 3.43Å; G356-L360 PolarHBondContact O-N 2.57Å
357	Y	97.4	Very high	96.7	Very high	24 Å²	24	36.8 Å²	36.8	9%	0.094	18%	0.175	C	C	.	.	H	α-helix	trans	-59.5	-39.3	177.4	-78.5	-64	0	0	0	113	G260 Y261 F296 M349 K353 R354 K359 L360 L361	G260-Y357 WeakPolarHBondContact CA-OH 3.08Å; Y261-Y357 PolarHBondContact N-OH 3.35Å; F296-Y357 HydrophobicContact CE2-CD1 4.39Å; F296-Y357 AromaticContact CE2-CD2 3.86Å; F296-Y357 HydrophobicContact CE2-CD2 3.86Å; F296-Y357 HydrophobicContact CE2-CE1 4.4Å; F296-Y357 AromaticContact CE2-CE2 3.91Å; F296-Y357 HydrophobicContact CE2-CE2 3.91Å; F296-Y357 HydrophobicContact CE2-CG 4.11Å; F296-Y357 HydrophobicContact CZ-CD1 4.04Å; F296-Y357 HydrophobicContact CZ-CD2 4.3Å; F296-Y357 HydrophobicContact CZ-CE1 4.19Å; F296-Y357 HydrophobicContact CZ-CE2 4.47Å; F296-Y357 HydrophobicContact CZ-CG 4.08Å; M349-Y357 HydrophobicContact CE-CD2 4.37Å; M349-Y357 HydrophobicContact CE-CE2 4.44Å; M349-Y357 HydrophobicContact SD-CD2 4.24Å; K353-Y357 HydrophobicContact CD-CE2 4.46Å; K353-Y357 HydrophobicContact CG-CD2 4.13Å; K353-Y357 HydrophobicContact CG-CE2 3.93Å; K353-Y357 WeakPolarHBondContact O-CD2 3.16Å; K353-Y357 PolarHBondContact O-N 3.2Å; K353-Y357 VanDerWaalsContact O-N 3.11Å; R354-Y357 PolarHBondContact O-N 3.44Å; Y357-K359 VanDerWaalsContact C-N 3.33Å; Y357-K359 PolarHBondContact O-N 2.78Å; Y357-L360 HydrophobicContact CD1-CD1 4.2Å; Y357-L360 WeakPolarHBondContact O-CB 3.24Å; Y357-L360 PolarHBondContact O-N 3.11Å; Y357-L360 VanDerWaalsContact O-N 3.15Å; Y357-L361 WeakPolarHBondContact O-CB 3.49Å; Y357-L361 PolarHBondContact O-N 2.86Å
358	A	98.1	Very high	96.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-61.5	-41.1	178.4	0	0	0	0	0	111.9	F159 W337 F340 R354 G356 L360 L361 M362	F159-A358 HydrophobicContact CB-CB 4.43Å; F159-A358 HydrophobicContact CD1-CB 3.38Å; F159-A358 HydrophobicContact CD2-CB 3.85Å; F159-A358 HydrophobicContact CE1-CB 3.34Å; F159-A358 HydrophobicContact CE2-CB 3.8Å; F159-A358 HydrophobicContact CG-CB 3.64Å; F159-A358 HydrophobicContact CZ-CB 3.56Å; W337-A358 HydrophobicContact CH2-CB 4.19Å; W337-A358 WeakPolarHBondContact CH2-O 3.22Å; W337-A358 HydrophobicContact CZ3-CB 4.1Å; F340-A358 HydrophobicContact CE1-CB 3.74Å; F340-A358 HydrophobicContact CZ-CB 4.06Å; R354-A358 VanDerWaalsContact O-CB 3.25Å; R354-A358 WeakPolarHBondContact O-CB 3.32Å; R354-A358 PolarHBondContact O-N 2.93Å; G356-A358 VanDerWaalsContact C-N 3.3Å; G356-A358 PolarHBondContact O-N 3.09Å; A358-L360 VanDerWaalsContact C-N 3.29Å; A358-L360 PolarHBondContact O-N 3.29Å; A358-L361 PolarHBondContact O-N 3.26Å; A358-M362 WeakPolarHBondContact O-CG 3.35Å; A358-M362 PolarHBondContact O-N 3.44Å
359	K	97.7	Very high	96.9	Very high	70 Å²	70	29.2 Å²	29.2	30%	0.304	15%	0.147	S	C	.	.	H	α-helix	trans	-63.7	-34.2	175.4	-74.5	167.8	-175.1	162.8	0	112.4	A158 F159 E162 D355 G356 Y357 Q363	A158-K359 WeakPolarHBondContact O-CE 3.08Å; F159-K359 HydrophobicContact CB-CG 3.75Å; E162-K359 HydrophobicContact CG-CG 4.34Å; D355-K359 WeakPolarHBondContact O-CB 2.83Å; D355-K359 VanDerWaalsContact O-CG 3.26Å; D355-K359 WeakPolarHBondContact O-CG 2.77Å; D355-K359 PolarHBondContact O-N 3Å; G356-K359 PolarHBondContact O-N 2.89Å; Y357-K359 VanDerWaalsContact C-N 3.33Å; Y357-K359 PolarHBondContact O-N 2.78Å; K359-Q363 WeakPolarHBondContact O-CG 3.47Å; K359-Q363 PolarHBondContact O-NE2 3.32Å
360	L	97.2	Very high	97	Very high	35 Å²	35	32.5 Å²	32.5	18%	0.183	16%	0.16	C	C	.	.	H	α-helix	trans	-66.4	-47.1	171.2	-51.6	179.3	0	0	0	110.6	F296 L298 L300 G356 Y357 A358 M362 Q363	F296-L360 HydrophobicContact CE1-CD1 3.96Å; F296-L360 HydrophobicContact CE1-CG 4.29Å; F296-L360 HydrophobicContact CZ-CD1 3.93Å; L298-L360 HydrophobicContact CD2-CD1 4.23Å; L298-L360 HydrophobicContact CD2-CD2 4.26Å; L298-L360 HydrophobicContact CG-CD2 4.39Å; L300-L360 HydrophobicContact CB-CD2 3.94Å; L300-L360 HydrophobicContact CD1-CB 4.32Å; L300-L360 HydrophobicContact CD1-CD2 3.49Å; L300-L360 VanDerWaalsContact CD1-CD2 3.49Å; L300-L360 HydrophobicContact CD1-CG 4.41Å; L300-L360 HydrophobicContact CG-CD2 3.47Å; L300-L360 VanDerWaalsContact CG-CD2 3.47Å; G356-L360 WeakPolarHBondContact O-CG 3.43Å; G356-L360 PolarHBondContact O-N 2.57Å; Y357-L360 HydrophobicContact CD1-CD1 4.2Å; Y357-L360 WeakPolarHBondContact O-CB 3.24Å; Y357-L360 PolarHBondContact O-N 3.11Å; Y357-L360 VanDerWaalsContact O-N 3.15Å; A358-L360 VanDerWaalsContact C-N 3.29Å; A358-L360 PolarHBondContact O-N 3.29Å; L360-M362 VanDerWaalsContact C-N 3.29Å; L360-M362 PolarHBondContact O-N 2.99Å; L360-Q363 WeakPolarHBondContact O-CB 2.84Å; L360-Q363 PolarHBondContact O-N 3Å
361	L	97.1	Very high	97	Very high	9 Å²	9	34.9 Å²	34.9	5%	0.047	17%	0.167	C	C	.	.	H	α-helix	trans	-65.9	-29.9	-177.7	-163.7	67.6	0	0	0	113.2	Y261 P263 K333 L336 W337 F340 Y357 A358 Q363 L364	Y261-L361 HydrophobicContact CE1-CD1 4.35Å; Y261-L361 HydrophobicContact CE1-CD2 4.44Å; P263-L361 HydrophobicContact CB-CD1 4.17Å; K333-L361 PolarHBondContact NZ-O 2.94Å; K333-L361 VanDerWaalsContact NZ-O 3.11Å; L336-L361 HydrophobicContact CD1-CD1 4.41Å; L336-L361 HydrophobicContact CD2-CD1 3.94Å; L336-L361 HydrophobicContact CG-CD1 4.17Å; L336-L361 HydrophobicContact CG-CD2 4.46Å; W337-L361 HydrophobicContact CD2-CD2 3.99Å; W337-L361 HydrophobicContact CE3-CD2 3.78Å; W337-L361 HydrophobicContact CH2-CB 3.86Å; W337-L361 HydrophobicContact CH2-CD2 3.9Å; W337-L361 HydrophobicContact CH2-CG 4.12Å; W337-L361 HydrophobicContact CZ2-CB 4.13Å; W337-L361 HydrophobicContact CZ2-CD2 4.1Å; W337-L361 HydrophobicContact CZ2-CG 4.07Å; W337-L361 HydrophobicContact CZ3-CB 4.43Å; W337-L361 HydrophobicContact CZ3-CD2 3.75Å; W337-L361 HydrophobicContact CZ3-CG 4.47Å; F340-L361 HydrophobicContact CB-CD2 3.77Å; F340-L361 HydrophobicContact CD1-CD2 4.09Å; F340-L361 HydrophobicContact CD2-CD2 4.43Å; F340-L361 HydrophobicContact CG-CD2 3.82Å; Y357-L361 WeakPolarHBondContact O-CB 3.49Å; Y357-L361 PolarHBondContact O-N 2.86Å; A358-L361 PolarHBondContact O-N 3.26Å; L361-Q363 PolarHBondContact O-N 3.37Å; L361-L364 HydrophobicContact CD1-CD1 3.58Å; L361-L364 HydrophobicContact CD1-CG 4.45Å; L361-L364 HydrophobicContact CG-CD1 4.45Å; L361-L364 PolarHBondContact O-N 2.73Å
362	M	97.3	Very high	97	Very high	26 Å²	26	36.1 Å²	36.1	13%	0.128	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-23.3	172.2	-76.9	-63.6	-74.2	0	0	112.8	L153 F159 E162 K163 Q166 W337 A358 L360 L364	L153-M362 HydrophobicContact CD2-SD 4.36Å; F159-M362 HydrophobicContact CD2-CG 4.05Å; F159-M362 HydrophobicContact CD2-SD 4.41Å; E162-M362 HydrophobicContact CB-CB 3.81Å; E162-M362 HydrophobicContact CB-CE 3.9Å; E162-M362 HydrophobicContact CB-CG 4.09Å; E162-M362 HydrophobicContact CG-CB 4.15Å; E162-M362 HydrophobicContact CG-CG 4.38Å; K163-M362 HydrophobicContact CB-CE 4.47Å; Q166-M362 PolarHBondContact NE2-O 2.59Å; W337-M362 HydrophobicContact CH2-CG 3.79Å; W337-M362 HydrophobicContact CH2-SD 3.86Å; W337-M362 HydrophobicContact CZ2-CG 3.72Å; W337-M362 HydrophobicContact CZ2-SD 3.31Å; W337-M362 WeakPolarHBondContact CZ2-SD 3.28Å; A358-M362 WeakPolarHBondContact O-CG 3.35Å; A358-M362 PolarHBondContact O-N 3.44Å; L360-M362 VanDerWaalsContact C-N 3.29Å; L360-M362 PolarHBondContact O-N 2.99Å; M362-L364 VanDerWaalsContact C-N 3.33Å
363	Q	97.5	Very high	96.8	Very high	8 Å²	8	37.5 Å²	37.5	4%	0.037	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-19.7	-179.7	-51.8	-47.2	-41.2	0	0	113.3	E162 K302 K359 L360 L361	E162-Q363 PolarHBondContact OE2-NE2 2.83Å; K302-Q363 HydrophobicContact CD-CB 4.32Å; K302-Q363 WeakPolarHBondContact CD-O 3.05Å; K302-Q363 WeakPolarHBondContact CE-O 3.36Å; K302-Q363 PolarHBondContact NZ-O 2.82Å; K359-Q363 WeakPolarHBondContact O-CG 3.47Å; K359-Q363 PolarHBondContact O-NE2 3.32Å; L360-Q363 WeakPolarHBondContact O-CB 2.84Å; L360-Q363 PolarHBondContact O-N 3Å; L361-Q363 PolarHBondContact O-N 3.37Å
364	L	96.8	Very high	96.7	Very high	19 Å²	19	38.5 Å²	38.5	10%	0.099	22%	0.223	C	C	.	.	S	Bend	trans	-57.3	146.4	177.6	-69.1	-179.8	0	0	0	111.6	L241 I244 L336 L361 M362 Y366	L241-L364 HydrophobicContact CD1-CD1 3.83Å; L241-L364 HydrophobicContact CD1-CD2 3.57Å; L241-L364 HydrophobicContact CD1-CG 4.37Å; I244-L364 HydrophobicContact CG2-CD2 4.19Å; L336-L364 HydrophobicContact CD2-CD1 3.58Å; L361-L364 HydrophobicContact CD1-CD1 3.58Å; L361-L364 HydrophobicContact CD1-CG 4.45Å; L361-L364 HydrophobicContact CG-CD1 4.45Å; L361-L364 PolarHBondContact O-N 2.73Å; M362-L364 VanDerWaalsContact C-N 3.33Å; L364-Y366 PolarHBondContact O-N 3.16Å
365	P	97	Very high	96.6	Very high	14 Å²	14	41.6 Å²	41.6	9%	0.091	24%	0.237	C	C	.	.			trans	-56.6	131.1	-178.1	-23.1	34.8	0	0	0	111.8	F239 C280 F282 C380	F239-P365 HydrophobicContact CE2-CB 4.14Å; F239-P365 HydrophobicContact CE2-CG 3.96Å; F239-P365 HydrophobicContact CZ-CB 4.1Å; F239-P365 HydrophobicContact CZ-CG 3.9Å; C280-P365 HydrophobicContact CB-CB 4.23Å; C280-P365 WeakPolarHBondContact O-CG 3.42Å; F282-P365 HydrophobicContact CD1-CG 3.82Å; F282-P365 HydrophobicContact CE1-CG 3.65Å; P365-C380 HydrophobicContact CB-CB 4.43Å; P365-C380 VanDerWaalsContact CB-SG 3.58Å
366	Y	96.1	Very high	96.6	Very high	87 Å²	87	41.3 Å²	41.3	34%	0.341	24%	0.236	S	C	.	.			trans	-116.7	104.8	176.8	-175.4	-78.3	0	0	0	108.6	K333 L364 C380 H381	K333-Y366 HydrophobicContact CD-CD2 4.32Å; K333-Y366 HydrophobicContact CG-CD2 3.75Å; K333-Y366 HydrophobicContact CG-CE2 3.9Å; L364-Y366 PolarHBondContact O-N 3.16Å; Y366-C380 CarbonylContact O-C 3.54Å; Y366-C380 VanDerWaalsContact O-CA 3.27Å; Y366-C380 WeakPolarHBondContact O-CA 3.12Å; Y366-H381 PolarHBondContact O-N 2.78Å
367	S	96.5	Very high	96.7	Very high	26 Å²	26	43.2 Å²	43.2	18%	0.182	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	147.6	-174.3	52.1	0	0	0	0	113.5	P329 C379	P329-S367 WeakPolarHBondContact CB-OG 3.49Å; S367-C379 CarbonylContact C-O 3.58Å; S367-C379 VanDerWaalsContact CA-O 3.31Å; S367-C379 WeakPolarHBondContact CA-O 3.44Å
368	N	96.5	Very high	96.7	Very high	47 Å²	47	42.1 Å²	42.1	25%	0.251	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	131.1	166.2	-55.2	-84.3	0	0	0	106.1	C378 C379 H384 P385 K395	N368-C378 WeakPolarHBondContact O-CA 3.25Å; N368-C379 PolarHBondContact N-O 3.12Å; N368-C379 PolarHBondContact O-N 3.02Å; N368-H384 HydrophobicContact CB-CB 4.44Å; N368-P385 VanDerWaalsContact O-CD 3.29Å; N368-P385 WeakPolarHBondContact O-CD 2.75Å; N368-P385 WeakPolarHBondContact O-CG 3.48Å; N368-K395 WeakPolarHBondContact ND2-CE 3Å; N368-K395 PolarHBondContact ND2-NZ 3.29Å; N368-K395 VanDerWaalsContact ND2-NZ 3.15Å
369	C	97.4	Very high	96.7	Very high	38 Å²	38	42.1 Å²	42.1	26%	0.257	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	141.1	-173.4	-62.9	0	0	0	0	110.9	C326 K377 C378	C326-C369 HydrophobicContact CB-CB 3.99Å; C369-K377 CarbonylContact C-O 3.55Å; C369-K377 VanDerWaalsContact CA-O 3.26Å; C369-K377 WeakPolarHBondContact CA-O 3.46Å; C369-C378 HydrophobicContact CB-CB 4.12Å; C369-C378 WeakPolarHBondContact CB-SG 3.37Å; C369-C378 WeakPolarHBondContact SG-CB 3.48Å; C369-C378 CovalentContact SG-SG 2.03Å; C369-C378 PolarHBondContact SG-SG 3.42Å
370	K	96.5	Very high	96.8	Very high	94 Å²	94	38.9 Å²	38.9	41%	0.409	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	138.3	168.4	-170.7	168.2	-173.8	167	0	109.3	V372 K377 P385 E387	K370-V372 HydrophobicContact CB-CG2 4.48Å; K370-V372 HydrophobicContact CD-CG2 4.45Å; K370-V372 HydrophobicContact CG-CG2 4.1Å; K370-K377 PolarHBondContact N-O 2.91Å; K370-K377 PolarHBondContact O-N 3.42Å; K370-P385 HydrophobicContact CB-CB 4.12Å; K370-P385 HydrophobicContact CB-CG 4.38Å; K370-E387 PolarHBondContact NZ-O 2.83Å
371	E	96.9	Very high	96.8	Very high	102 Å²	102	37.5 Å²	37.5	48%	0.477	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	122.8	172.3	-176.6	176.3	143.6	0	0	109.6	K321 K375	K321-E371 VanDerWaalsContact CE-OE1 3.3Å; K321-E371 WeakPolarHBondContact CE-OE1 3.48Å; K321-E371 VanDerWaalsContact CE-OE2 3.24Å; K321-E371 WeakPolarHBondContact CE-OE2 3.32Å; K321-E371 IonicContact NZ-OE1 2.63Å; K321-E371 PolarHBondContact NZ-OE1 2.89Å; K321-E371 IonicContact NZ-OE2 3.07Å; K321-E371 PolarHBondContact NZ-OE2 2.88Å; K321-E371 VanDerWaalsContact NZ-OE2 3.07Å; E371-K375 WeakPolarHBondContact CA-O 3.37Å
372	V	96.1	Very high	96.9	Very high	49 Å²	49	37.1 Å²	37.1	30%	0.297	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	123.3	178.9	-175.4	0	0	0	0	108.8	K370 G374 K375 K377	K370-V372 HydrophobicContact CB-CG2 4.48Å; K370-V372 HydrophobicContact CD-CG2 4.45Å; K370-V372 HydrophobicContact CG-CG2 4.1Å; V372-G374 VanDerWaalsContact C-N 3.27Å; V372-G374 PolarHBondContact O-N 3.02Å; V372-K375 PolarHBondContact N-O 3.46Å; V372-K375 PolarHBondContact O-N 2.89Å; V372-K377 HydrophobicContact CB-CG 3.86Å; V372-K377 HydrophobicContact CG2-CB 4.44Å; V372-K377 HydrophobicContact CG2-CG 3.94Å
373	G	91.5	Very high	96.9	Very high	82 Å²	82	36.2 Å²	36.2	85%	0.845	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.1	35.7	175.7	0	0	0	0	0	114.3	K375	G373-K375 PolarHBondContact O-N 3.12Å
374	G	94	Very high	97	Very high	43 Å²	43	39.1 Å²	39.1	44%	0.443	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.6	0.5	-178.6	0	0	0	0	0	115.4	K321 V372	K321-G374 WeakPolarHBondContact CE-O 3.03Å; V372-G374 VanDerWaalsContact C-N 3.27Å; V372-G374 PolarHBondContact O-N 3.02Å
375	K	96.7	Very high	97	Very high	87 Å²	87	38.9 Å²	38.9	38%	0.378	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	164.3	176.5	-60.3	-71.2	-179	169.6	0	111.1	T318 D320 E371 V372 G373	T318-K375 HydrophobicContact CG2-CB 3.96Å; T318-K375 HydrophobicContact CG2-CD 4.45Å; T318-K375 HydrophobicContact CG2-CG 4.14Å; D320-K375 IonicContact OD1-NZ 2.59Å; D320-K375 PolarHBondContact OD1-NZ 3.24Å; E371-K375 WeakPolarHBondContact CA-O 3.37Å; V372-K375 PolarHBondContact N-O 3.46Å; V372-K375 PolarHBondContact O-N 2.89Å; G373-K375 PolarHBondContact O-N 3.12Å
376	C	97.3	Very high	97.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	117.1	174.2	-57.9	0	0	0	0	110.1	T318 M319 C326	T318-C376 WeakPolarHBondContact CA-O 3.45Å; M319-C376 HydrophobicContact CB-CB 4.33Å; M319-C376 PolarHBondContact N-O 3.39Å; M319-C376 PolarHBondContact O-N 3.09Å; C326-C376 WeakPolarHBondContact CA-SG 3.49Å; C326-C376 HydrophobicContact CB-CB 3.76Å; C326-C376 WeakPolarHBondContact CB-SG 3.27Å; C326-C376 WeakPolarHBondContact SG-CA 3.23Å; C326-C376 WeakPolarHBondContact SG-CB 3.45Å; C326-C376 CovalentContact SG-SG 2.03Å; C326-C376 PolarHBondContact SG-SG 3.42Å
377	K	98.2	Very high	97.1	Very high	47 Å²	47	43.7 Å²	43.7	20%	0.204	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	111.6	177	-62.2	-65.1	-175.9	174.1	0	109.2	I316 C317 T318 C369 K370 V372 P385 G389	I316-K377 HydrophobicContact CD1-CB 3.71Å; I316-K377 HydrophobicContact CG1-CB 4.04Å; I316-K377 HydrophobicContact CG2-CD 4.27Å; C317-K377 CarbonylContact O-C 3.58Å; C317-K377 VanDerWaalsContact O-CA 3.29Å; C317-K377 WeakPolarHBondContact O-CA 2.85Å; T318-K377 PolarHBondContact OG1-NZ 3.01Å; C369-K377 CarbonylContact C-O 3.55Å; C369-K377 VanDerWaalsContact CA-O 3.26Å; C369-K377 WeakPolarHBondContact CA-O 3.46Å; K370-K377 PolarHBondContact N-O 2.91Å; K370-K377 PolarHBondContact O-N 3.42Å; V372-K377 HydrophobicContact CB-CG 3.86Å; V372-K377 HydrophobicContact CG2-CB 4.44Å; V372-K377 HydrophobicContact CG2-CG 3.94Å; K377-P385 VanDerWaalsContact O-CG 3.24Å; K377-P385 WeakPolarHBondContact O-CG 3.15Å; K377-G389 WeakPolarHBondContact CB-O 3.12Å; K377-G389 WeakPolarHBondContact CG-O 2.94Å
378	C	98.5	Very high	97	Very high	1 Å²	1	47 Å²	47	1%	0.007	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	140.7	-164.1	-56.7	0	0	0	0	113.8	C317 M319 N368 C369	C317-C378 HydrophobicContact CB-CB 4.09Å; C317-C378 WeakPolarHBondContact CB-O 3.2Å; C317-C378 PolarHBondContact N-O 3.36Å; C317-C378 PolarHBondContact O-N 3.18Å; M319-C378 HydrophobicContact CE-CB 3.9Å; M319-C378 WeakPolarHBondContact CE-SG 3.37Å; N368-C378 WeakPolarHBondContact O-CA 3.25Å; C369-C378 HydrophobicContact CB-CB 4.12Å; C369-C378 WeakPolarHBondContact CB-SG 3.37Å; C369-C378 WeakPolarHBondContact SG-CB 3.48Å; C369-C378 CovalentContact SG-SG 2.03Å; C369-C378 PolarHBondContact SG-SG 3.42Å
379	C	98.6	Very high	97.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	149.9	173.6	-53.6	0	0	0	0	110	G278 S367 N368 P385 C392	G278-C379 CarbonylContact O-C 3.03Å; G278-C379 WeakPolarHBondContact O-CA 2.88Å; S367-C379 CarbonylContact C-O 3.58Å; S367-C379 VanDerWaalsContact CA-O 3.31Å; S367-C379 WeakPolarHBondContact CA-O 3.44Å; N368-C379 PolarHBondContact N-O 3.12Å; N368-C379 PolarHBondContact O-N 3.02Å; C379-P385 HydrophobicContact CB-CG 4.49Å; C379-C392 HydrophobicContact CB-CB 3.8Å; C379-C392 WeakPolarHBondContact CB-SG 3.04Å; C379-C392 WeakPolarHBondContact SG-CA 3.1Å; C379-C392 WeakPolarHBondContact SG-CB 3.39Å; C379-C392 CovalentContact SG-SG 2.03Å; C379-C392 PolarHBondContact SG-SG 2.77Å
380	C	98.6	Very high	97.1	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.014	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	145.5	178.8	-73.3	0	0	0	0	113.2	G278 C280 P365 Y366 Y383	G278-C380 PolarHBondContact O-N 3.08Å; C280-C380 WeakPolarHBondContact CA-SG 3.27Å; C280-C380 HydrophobicContact CB-CB 3.8Å; C280-C380 WeakPolarHBondContact CB-SG 3.13Å; C280-C380 WeakPolarHBondContact SG-CB 3.09Å; C280-C380 PolarHBondContact SG-N 3.22Å; C280-C380 CovalentContact SG-SG 2.03Å; C280-C380 PolarHBondContact SG-SG 2.81Å; P365-C380 HydrophobicContact CB-CB 4.43Å; P365-C380 VanDerWaalsContact CB-SG 3.58Å; Y366-C380 CarbonylContact O-C 3.54Å; Y366-C380 VanDerWaalsContact O-CA 3.27Å; Y366-C380 WeakPolarHBondContact O-CA 3.12Å; C380-Y383 CarbonylContact C-O 3.53Å; C380-Y383 WeakPolarHBondContact O-CA 2.81Å; C380-Y383 WeakPolarHBondContact O-CB 3.27Å; C380-Y383 PolarHBondContact O-N 3.43Å
381	H	98.3	Very high	97.1	Very high	7 Å²	7	47.6 Å²	47.6	3%	0.032	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	130.7	175.3	-176.4	76.4	0	0	0	110.9	K163 Q166 Y366 K395 Y397	K163-H381 PolarHBondContact O-CE1 2.84Å; K163-H381 PolarHBondContact O-NE2 3.17Å; Q166-H381 PolarHBondContact OE1-CD2 3.42Å; Y366-H381 PolarHBondContact O-N 2.78Å; H381-K395 PolarHBondContact ND1-NZ 3.17Å; H381-Y397 PolarHBondContact CE1-OH 2.79Å; H381-Y397 VanDerWaalsContact CE1-OH 3.28Å; H381-Y397 PolarHBondContact ND1-OH 2.97Å
382	P	98.3	Very high	97.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	cis	-88.4	11.5	16.3	37	-38.1	0	0	0	116.8	Q166 R170 K395 C398	Q166-P382 WeakPolarHBondContact O-CG 3.13Å; R170-P382 HydrophobicContact CG-CG 3.69Å; P382-K395 WeakPolarHBondContact O-CG 3.03Å; P382-K395 PolarHBondContact O-N 2.86Å; P382-C398 HydrophobicContact CB-CB 4.06Å
383	Y	98.6	Very high	97.3	Very high	8 Å²	8	43.3 Å²	43.3	3%	0.031	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	165.3	176.2	-57.7	-98	0	0	0	112.2	R170 Y279 C380 C392 V393 V394 K395	R170-Y383 HydrophobicContact CB-CE2 4.49Å; R170-Y383 WeakPolarHBondContact CB-OH 3.17Å; R170-Y383 HydrophobicContact CG-CE2 3.99Å; R170-Y383 WeakPolarHBondContact CG-OH 3.12Å; Y279-Y383 VanDerWaalsContact CB-CD2 3.46Å; Y279-Y383 HydrophobicContact CD1-CD2 4.21Å; Y279-Y383 HydrophobicContact CD1-CE1 4.28Å; Y279-Y383 AromaticContact CD1-CE2 3.64Å; Y279-Y383 HydrophobicContact CD1-CE2 3.64Å; Y279-Y383 AromaticContact CD1-CZ 3.67Å; Y279-Y383 AromaticContact CD2-CD1 3.73Å; Y279-Y383 HydrophobicContact CD2-CD1 3.73Å; Y279-Y383 AromaticContact CD2-CD2 3.82Å; Y279-Y383 HydrophobicContact CD2-CD2 3.82Å; Y279-Y383 AromaticContact CD2-CE1 3.9Å; Y279-Y383 HydrophobicContact CD2-CE1 3.9Å; Y279-Y383 HydrophobicContact CD2-CE2 4.01Å; Y279-Y383 AromaticContact CD2-CG 3.69Å; Y279-Y383 HydrophobicContact CD2-CG 3.69Å; Y279-Y383 HydrophobicContact CE1-CE1 4.11Å; Y279-Y383 HydrophobicContact CE1-CE2 4.21Å; Y279-Y383 AromaticContact CE1-CZ 3.74Å; Y279-Y383 AromaticContact CE2-CD1 3.81Å; Y279-Y383 HydrophobicContact CE2-CD1 3.81Å; Y279-Y383 AromaticContact CE2-CE1 3.72Å; Y279-Y383 HydrophobicContact CE2-CE1 3.72Å; Y279-Y383 HydrophobicContact CE2-CG 4.26Å; Y279-Y383 HydrophobicContact CG-CD1 4.24Å; Y279-Y383 AromaticContact CG-CD2 3.58Å; Y279-Y383 HydrophobicContact CG-CD2 3.58Å; Y279-Y383 HydrophobicContact CG-CE1 4.16Å; Y279-Y383 AromaticContact CG-CE2 3.5Å; Y279-Y383 HydrophobicContact CG-CE2 3.5Å; Y279-Y383 AromaticContact CG-CG 3.97Å; Y279-Y383 HydrophobicContact CG-CG 3.97Å; Y279-Y383 AromaticContact CG-CZ 3.81Å; Y279-Y383 AromaticContact CZ-CE1 3.81Å; Y279-Y383 AromaticContact CZ-CZ 3.95Å; C380-Y383 CarbonylContact C-O 3.53Å; C380-Y383 WeakPolarHBondContact O-CA 2.81Å; C380-Y383 WeakPolarHBondContact O-CB 3.27Å; C380-Y383 PolarHBondContact O-N 3.43Å; Y383-C392 HydrophobicContact CD1-CB 4.38Å; Y383-V393 CarbonylContact C-O 3.58Å; Y383-V393 VanDerWaalsContact CA-O 3.27Å; Y383-V393 WeakPolarHBondContact CA-O 3.45Å; Y383-V394 HydrophobicContact CD1-CG2 3.93Å; Y383-V394 HydrophobicContact CE1-CG2 3.56Å; Y383-K395 WeakPolarHBondContact O-CE 3.45Å
384	H	98	Very high	97.6	Very high	68 Å²	68	40.5 Å²	40.5	32%	0.315	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	158.4	169.1	67.5	-47.8	0	0	0	110.1	N368 V393 K395	N368-H384 HydrophobicContact CB-CB 4.44Å; H384-V393 PolarHBondContact N-O 2.99Å; H384-V393 PolarHBondContact ND1-O 3.32Å; H384-V393 PolarHBondContact O-N 2.93Å; H384-K395 HydrophobicContact CB-CG 4.11Å
385	P	98.3	Very high	97.7	Very high	14 Å²	14	39.5 Å²	39.5	9%	0.091	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	138.3	171	-23.8	35.1	0	0	0	110.5	I316 N368 K370 K377 C379	I316-P385 HydrophobicContact CD1-CB 3.85Å; I316-P385 HydrophobicContact CD1-CG 4.18Å; N368-P385 VanDerWaalsContact O-CD 3.29Å; N368-P385 WeakPolarHBondContact O-CD 2.75Å; N368-P385 WeakPolarHBondContact O-CG 3.48Å; K370-P385 HydrophobicContact CB-CB 4.12Å; K370-P385 HydrophobicContact CB-CG 4.38Å; K377-P385 VanDerWaalsContact O-CG 3.24Å; K377-P385 WeakPolarHBondContact O-CG 3.15Å; C379-P385 HydrophobicContact CB-CG 4.49Å
386	N	97.6	Very high	97.7	Very high	26 Å²	26	40.1 Å²	40.1	14%	0.139	20%	0.203	C	C	.	.			trans	-69.8	-176.8	168.2	71.1	-34.5	0	0	0	111.6	D388 G389 S390 K391 V393	N386-D388 PolarHBondContact ND2-OD1 2.02Å; N386-D388 PolarHBondContact O-N 2.93Å; N386-D388 PolarHBondContact OD1-OD1 3.36Å; N386-G389 PolarHBondContact O-N 3.04Å; N386-G389 VanDerWaalsContact O-N 3.16Å; N386-G389 WeakPolarHBondContact OD1-CA 3.38Å; N386-G389 PolarHBondContact OD1-N 2.82Å; N386-S390 PolarHBondContact ND2-OG 3.38Å; N386-S390 PolarHBondContact OD1-N 2.67Å; N386-K391 HydrophobicContact CB-CG 4.18Å; N386-K391 PolarHBondContact N-O 2.73Å; N386-K391 WeakPolarHBondContact ND2-CG 3.37Å; N386-K391 PolarHBondContact OD1-N 3.03Å; N386-K391 PolarHBondContact OD1-O 3.41Å; N386-V393 HydrophobicContact CB-CG1 4.02Å; N386-V393 HydrophobicContact CB-CG2 3.95Å
387	E	96	Very high	97.6	Very high	176 Å²	176	41.8 Å²	41.8	82%	0.822	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-37.4	-172.1	-64.8	-173.9	171.1	0	0	114.8	K370	K370-E387 PolarHBondContact NZ-O 2.83Å
388	D	96.1	Very high	97.6	Very high	95 Å²	95	39.5 Å²	39.5	51%	0.508	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-6.9	178	65.5	-2.2	0	0	0	113	N386 S390	N386-D388 PolarHBondContact ND2-OD1 2.02Å; N386-D388 PolarHBondContact O-N 2.93Å; N386-D388 PolarHBondContact OD1-OD1 3.36Å; D388-S390 VanDerWaalsContact C-N 3.33Å; D388-S390 VanDerWaalsContact OD1-CB 3.3Å; D388-S390 WeakPolarHBondContact OD1-CB 3.19Å; D388-S390 PolarHBondContact OD1-N 2.97Å; D388-S390 PolarHBondContact OD1-OG 2.8Å; D388-S390 WeakPolarHBondContact OD2-CB 3.25Å; D388-S390 PolarHBondContact OD2-OG 3.27Å
389	G	96.7	Very high	97.4	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.01	21%	0.205	C	C	.	.	S	Bend	trans	67.8	27.9	-174.7	0	0	0	0	0	114.2	I316 K377 N386	I316-G389 WeakPolarHBondContact CD1-O 3.18Å; K377-G389 WeakPolarHBondContact CB-O 3.12Å; K377-G389 WeakPolarHBondContact CG-O 2.94Å; N386-G389 PolarHBondContact O-N 3.04Å; N386-G389 VanDerWaalsContact O-N 3.16Å; N386-G389 WeakPolarHBondContact OD1-CA 3.38Å; N386-G389 PolarHBondContact OD1-N 2.82Å
390	S	97.3	Very high	97	Very high	67 Å²	67	43.1 Å²	43.1	47%	0.469	21%	0.214	S	C	.	.	S	Bend	trans	-89.1	-25.9	175.8	65.5	0	0	0	0	113.8	I316 N386 D388	I316-S390 VanDerWaalsContact CG2-O 3.25Å; I316-S390 WeakPolarHBondContact CG2-O 3.26Å; N386-S390 PolarHBondContact ND2-OG 3.38Å; N386-S390 PolarHBondContact OD1-N 2.67Å; D388-S390 VanDerWaalsContact C-N 3.33Å; D388-S390 VanDerWaalsContact OD1-CB 3.3Å; D388-S390 WeakPolarHBondContact OD1-CB 3.19Å; D388-S390 PolarHBondContact OD1-N 2.97Å; D388-S390 PolarHBondContact OD1-OG 2.8Å; D388-S390 WeakPolarHBondContact OD2-CB 3.25Å; D388-S390 PolarHBondContact OD2-OG 3.27Å
391	K	97.8	Very high	96.4	Very high	124 Å²	124	43.4 Å²	43.4	54%	0.539	22%	0.216	S	C	.	.	S	Bend	trans	-146.9	164.7	-177.4	60.9	179.7	177.3	-174.1	0	113.4	N386 V393	N386-K391 HydrophobicContact CB-CG 4.18Å; N386-K391 PolarHBondContact N-O 2.73Å; N386-K391 WeakPolarHBondContact ND2-CG 3.37Å; N386-K391 PolarHBondContact OD1-N 3.03Å; N386-K391 PolarHBondContact OD1-O 3.41Å; K391-V393 HydrophobicContact CG-CG1 4.39Å
392	C	98.5	Very high	95.9	Very high	14 Å²	14	45 Å²	45	10%	0.095	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	129	173.8	-64.1	0	0	0	0	111.1	Y279 C379 Y383	Y279-C392 HydrophobicContact CD2-CB 3.64Å; Y279-C392 HydrophobicContact CE2-CB 3.67Å; C379-C392 HydrophobicContact CB-CB 3.8Å; C379-C392 WeakPolarHBondContact CB-SG 3.04Å; C379-C392 WeakPolarHBondContact SG-CA 3.1Å; C379-C392 WeakPolarHBondContact SG-CB 3.39Å; C379-C392 CovalentContact SG-SG 2.03Å; C379-C392 PolarHBondContact SG-SG 2.77Å; Y383-C392 HydrophobicContact CD1-CB 4.38Å
393	V	98	Very high	95.4	Very high	48 Å²	48	46.4 Å²	46.4	29%	0.291	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	148.2	176.9	-65.7	0	0	0	0	110.4	Y383 H384 N386 K391 K395	Y383-V393 CarbonylContact C-O 3.58Å; Y383-V393 VanDerWaalsContact CA-O 3.27Å; Y383-V393 WeakPolarHBondContact CA-O 3.45Å; H384-V393 PolarHBondContact N-O 2.99Å; H384-V393 PolarHBondContact ND1-O 3.32Å; H384-V393 PolarHBondContact O-N 2.93Å; N386-V393 HydrophobicContact CB-CG1 4.02Å; N386-V393 HydrophobicContact CB-CG2 3.95Å; K391-V393 HydrophobicContact CG-CG1 4.39Å; V393-K395 PolarHBondContact O-N 2.99Å
394	V	97.9	Very high	94.5	Very high	22 Å²	22	47.1 Å²	47.1	13%	0.133	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	135.1	179.6	-177.3	0	0	0	0	108.9	Y383 C398 K399	Y383-V394 HydrophobicContact CD1-CG2 3.93Å; Y383-V394 HydrophobicContact CE1-CG2 3.56Å; V394-C398 HydrophobicContact CG1-CB 3.86Å; V394-K399 HydrophobicContact CB-CG 4.36Å; V394-K399 HydrophobicContact CG1-CG 4.24Å
395	K	97.3	Very high	93.3	Very high	23 Å²	23	46.1 Å²	46.1	10%	0.1	23%	0.229	C	C	.	.			trans	-60.8	140.4	173.9	-70.3	177.5	-179.3	180	0	110.3	N368 H381 P382 Y383 H384 V393 Y397 C398 K399	N368-K395 WeakPolarHBondContact ND2-CE 3Å; N368-K395 PolarHBondContact ND2-NZ 3.29Å; N368-K395 VanDerWaalsContact ND2-NZ 3.15Å; H381-K395 PolarHBondContact ND1-NZ 3.17Å; P382-K395 WeakPolarHBondContact O-CG 3.03Å; P382-K395 PolarHBondContact O-N 2.86Å; Y383-K395 WeakPolarHBondContact O-CE 3.45Å; H384-K395 HydrophobicContact CB-CG 4.11Å; V393-K395 PolarHBondContact O-N 2.99Å; K395-Y397 VanDerWaalsContact C-N 3.34Å; K395-Y397 HydrophobicContact CB-CD1 4.24Å; K395-Y397 HydrophobicContact CB-CE1 3.9Å; K395-Y397 HydrophobicContact CD-CE1 3.82Å; K395-Y397 VanDerWaalsContact CD-OH 3.29Å; K395-Y397 WeakPolarHBondContact CD-OH 3.45Å; K395-Y397 HydrophobicContact CG-CE1 4.43Å; K395-Y397 PolarHBondContact O-N 3.15Å; K395-C398 WeakPolarHBondContact O-CA 3.43Å; K395-C398 WeakPolarHBondContact O-CB 3.19Å; K395-C398 PolarHBondContact O-N 2.64Å; K395-K399 PolarHBondContact O-N 2.77Å
396	E	95.8	Very high	91.4	Very high	99 Å²	99	50 Å²	50	46%	0.463	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-50.1	-50.8	-172.8	-160.1	59.4	-145.1	0	0	113.1	C398 K399 L404	E396-C398 PolarHBondContact O-N 2.86Å; E396-K399 WeakPolarHBondContact O-CB 3.31Å; E396-K399 PolarHBondContact O-N 2.78Å; E396-K399 VanDerWaalsContact O-N 3.09Å; E396-K399 WeakPolarHBondContact OE1-CD 3.29Å; E396-K399 IonicContact OE1-NZ 2.86Å; E396-K399 PolarHBondContact OE1-NZ 3.07Å; E396-K399 WeakPolarHBondContact OE2-CE 3.03Å; E396-K399 IonicContact OE2-NZ 3.86Å; E396-K399 PolarHBondContact OE2-NZ 2.8Å; E396-L404 HydrophobicContact CG-CD2 4.44Å; E396-L404 VanDerWaalsContact OE1-CD2 3.25Å; E396-L404 WeakPolarHBondContact OE1-CD2 3.41Å
397	Y	95.6	Very high	89.1	Confident	35 Å²	35	54.4 Å²	54.4	14%	0.137	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-65.2	-10.9	179.6	66.9	-99.7	0	0	0	114.7	R92 N93 V97 L164 H381 K395	R92-Y397 PolarHBondContact NH1-O 3.48Å; N93-Y397 WeakPolarHBondContact O-CB 3.22Å; V97-Y397 HydrophobicContact CG1-CD2 4.34Å; V97-Y397 HydrophobicContact CG1-CE2 3.91Å; V97-Y397 HydrophobicContact CG2-CD1 3.94Å; V97-Y397 HydrophobicContact CG2-CD2 4.37Å; V97-Y397 HydrophobicContact CG2-CE1 4.08Å; V97-Y397 HydrophobicContact CG2-CG 4.1Å; L164-Y397 HydrophobicContact CD2-CD2 4.01Å; L164-Y397 HydrophobicContact CD2-CE2 4.15Å; H381-Y397 PolarHBondContact CE1-OH 2.79Å; H381-Y397 VanDerWaalsContact CE1-OH 3.28Å; H381-Y397 PolarHBondContact ND1-OH 2.97Å; K395-Y397 VanDerWaalsContact C-N 3.34Å; K395-Y397 HydrophobicContact CB-CD1 4.24Å; K395-Y397 HydrophobicContact CB-CE1 3.9Å; K395-Y397 HydrophobicContact CD-CE1 3.82Å; K395-Y397 VanDerWaalsContact CD-OH 3.29Å; K395-Y397 WeakPolarHBondContact CD-OH 3.45Å; K395-Y397 HydrophobicContact CG-CE1 4.43Å; K395-Y397 PolarHBondContact O-N 3.15Å
398	C	97.2	Very high	86.6	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-104.7	-7.1	177	-75.8	0	0	0	0	114.4	C167 P382 V394 K395 E396	C167-C398 VanDerWaalsContact CA-SG 3.52Å; C167-C398 HydrophobicContact CB-CB 3.49Å; C167-C398 VanDerWaalsContact CB-CB 3.49Å; C167-C398 WeakPolarHBondContact CB-SG 3.37Å; C167-C398 WeakPolarHBondContact SG-CA 3.41Å; C167-C398 WeakPolarHBondContact SG-CB 3.39Å; C167-C398 CovalentContact SG-SG 2.04Å; C167-C398 PolarHBondContact SG-SG 3.36Å; P382-C398 HydrophobicContact CB-CB 4.06Å; V394-C398 HydrophobicContact CG1-CB 3.86Å; K395-C398 WeakPolarHBondContact O-CA 3.43Å; K395-C398 WeakPolarHBondContact O-CB 3.19Å; K395-C398 PolarHBondContact O-N 2.64Å; E396-C398 PolarHBondContact O-N 2.86Å
399	K	94.9	Very high	83.9	Confident	25 Å²	25	55 Å²	55	11%	0.109	27%	0.272	C	S	.	.	S	Bend	trans	-59.2	147.1	173.3	-78.9	176	175	174.3	0	110.7	R92 V394 K395 E396 E403 L404 H407	R92-K399 PolarHBondContact NH1-O 2.83Å; R92-K399 PolarHBondContact NH2-O 3.33Å; V394-K399 HydrophobicContact CB-CG 4.36Å; V394-K399 HydrophobicContact CG1-CG 4.24Å; K395-K399 PolarHBondContact O-N 2.77Å; E396-K399 WeakPolarHBondContact O-CB 3.31Å; E396-K399 PolarHBondContact O-N 2.78Å; E396-K399 VanDerWaalsContact O-N 3.09Å; E396-K399 WeakPolarHBondContact OE1-CD 3.29Å; E396-K399 IonicContact OE1-NZ 2.86Å; E396-K399 PolarHBondContact OE1-NZ 3.07Å; E396-K399 WeakPolarHBondContact OE2-CE 3.03Å; E396-K399 IonicContact OE2-NZ 3.86Å; E396-K399 PolarHBondContact OE2-NZ 2.8Å; K399-E403 WeakPolarHBondContact CA-OE2 3.48Å; K399-E403 HydrophobicContact CB-CB 3.98Å; K399-E403 HydrophobicContact CD-CB 4.4Å; K399-E403 HydrophobicContact CG-CB 4.22Å; K399-L404 HydrophobicContact CB-CD2 3.75Å; K399-L404 HydrophobicContact CB-CG 4.09Å; K399-L404 HydrophobicContact CD-CD2 3.81Å; K399-L404 HydrophobicContact CG-CD2 4.45Å; K399-H407 PolarHBondContact NZ-CD2 2.8Å; K399-H407 PolarHBondContact NZ-NE2 2.84Å
400	R	90	Very high	81.3	Confident	51 Å²	51	62.7 Å²	62.7	19%	0.192	31%	0.308	C	S	.	.			trans	-67.8	150.4	168.7	-66.2	-177.3	-69.6	170.3	0.6	108.3	P15 H402 E403 L404	P15-R400 HydrophobicContact CB-CB 4.4Å; P15-R400 HydrophobicContact CG-CB 3.57Å; R400-H402 VanDerWaalsContact C-N 3.27Å; R400-H402 WeakPolarHBondContact CB-ND1 3.3Å; R400-H402 PolarHBondContact NE-CE1 3.27Å; R400-H402 PolarHBondContact NH2-NE2 3.13Å; R400-H402 PolarHBondContact O-N 3Å; R400-E403 HydrophobicContact CB-CG 4.12Å; R400-E403 IonicContact CZ-OE1 2.8Å; R400-E403 PolarHBondContact N-OE2 3.03Å; R400-E403 IonicContact NE-OE1 2.74Å; R400-E403 PolarHBondContact NE-OE1 2.8Å; R400-E403 IonicContact NE-OE2 3.71Å; R400-E403 IonicContact NH2-OE1 3.19Å; R400-E403 PolarHBondContact NH2-OE1 2.93Å; R400-E403 WeakPolarHBondContact O-CA 3.04Å; R400-E403 WeakPolarHBondContact O-CB 3.29Å; R400-E403 PolarHBondContact O-N 3.33Å; R400-L404 PolarHBondContact O-N 3.49Å
401	V	87	Confident	78.6	Confident	9 Å²	9	67.4 Å²	67.4	6%	0.055	32%	0.322	C	S	.	.	H	α-helix	trans	-47.9	-41.5	-179.7	173.3	0	0	0	0	112.9	P15 M88 E91 E403 L404 H405	P15-V401 HydrophobicContact CB-CB 3.35Å; P15-V401 HydrophobicContact CB-CG1 4.46Å; P15-V401 HydrophobicContact CB-CG2 3.56Å; P15-V401 HydrophobicContact CG-CB 3.84Å; P15-V401 HydrophobicContact CG-CG2 4.5Å; P15-V401 VanDerWaalsContact CG-N 3.28Å; M88-V401 HydrophobicContact CE-CG2 4.17Å; E91-V401 WeakPolarHBondContact OE2-CG1 3.4Å; V401-E403 VanDerWaalsContact C-N 3.35Å; V401-E403 PolarHBondContact O-N 2.74Å; V401-L404 WeakPolarHBondContact O-CB 3.45Å; V401-L404 PolarHBondContact O-N 2.04Å; V401-L404 VanDerWaalsContact O-N 3.15Å; V401-H405 PolarHBondContact O-ND1 3.22Å
402	H	86.3	Confident	75.7	Confident	39 Å²	39	69.4 Å²	69.4	18%	0.181	33%	0.333	C	S	.	.	H	α-helix	trans	-63.1	-39.7	174.5	58.9	-72.8	0	0	0	113.7	V14 P15 R400 L404 H405 D406	V14-H402 HydrophobicContact CB-CB 3.87Å; V14-H402 HydrophobicContact CG1-CB 3.67Å; V14-H402 HydrophobicContact CG2-CB 3.79Å; P15-H402 WeakPolarHBondContact CD-ND1 3.3Å; P15-H402 HydrophobicContact CG-CB 4.37Å; P15-H402 WeakPolarHBondContact CG-ND1 3.24Å; R400-H402 VanDerWaalsContact C-N 3.27Å; R400-H402 WeakPolarHBondContact CB-ND1 3.3Å; R400-H402 PolarHBondContact NE-CE1 3.27Å; R400-H402 PolarHBondContact NH2-NE2 3.13Å; R400-H402 PolarHBondContact O-N 3Å; H402-L404 PolarHBondContact O-N 3.4Å; H402-L404 VanDerWaalsContact O-N 3.11Å; H402-H405 PolarHBondContact O-N 3.26Å; H402-D406 PolarHBondContact O-N 2.84Å
403	E	88.4	Confident	72.9	Confident	30 Å²	30	77 Å²	77	14%	0.14	37%	0.367	C	S	.	.	H	α-helix	trans	-67.2	-12	179.5	-58.3	170	161.7	0	0	111.9	R170 K399 R400 V401	R170-E403 IonicContact CZ-OE1 3.62Å; R170-E403 IonicContact CZ-OE2 3.13Å; R170-E403 IonicContact NH1-OE1 2.81Å; R170-E403 PolarHBondContact NH1-OE1 3.1Å; R170-E403 IonicContact NH1-OE2 3.16Å; R170-E403 PolarHBondContact NH1-OE2 3.11Å; R170-E403 IonicContact NH2-OE1 2.67Å; R170-E403 PolarHBondContact NH2-OE1 2.73Å; R170-E403 IonicContact NH2-OE2 3.58Å; K399-E403 WeakPolarHBondContact CA-OE2 3.48Å; K399-E403 HydrophobicContact CB-CB 3.98Å; K399-E403 HydrophobicContact CD-CB 4.4Å; K399-E403 HydrophobicContact CG-CB 4.22Å; R400-E403 HydrophobicContact CB-CG 4.12Å; R400-E403 IonicContact CZ-OE1 2.8Å; R400-E403 PolarHBondContact N-OE2 3.03Å; R400-E403 IonicContact NE-OE1 2.74Å; R400-E403 PolarHBondContact NE-OE1 2.8Å; R400-E403 IonicContact NE-OE2 3.71Å; R400-E403 IonicContact NH2-OE1 3.19Å; R400-E403 PolarHBondContact NH2-OE1 2.93Å; R400-E403 WeakPolarHBondContact O-CA 3.04Å; R400-E403 WeakPolarHBondContact O-CB 3.29Å; R400-E403 PolarHBondContact O-N 3.33Å; V401-E403 VanDerWaalsContact C-N 3.35Å; V401-E403 PolarHBondContact O-N 2.74Å
404	L	80.5	Confident	70	Confident	24 Å²	24	83 Å²	83	13%	0.126	39%	0.392	C	S	.	.	H	α-helix	trans	-83.5	-30.6	172.7	-63.1	173	0	0	0	112.1	E91 R92 E396 K399 R400 V401 H402	E91-L404 HydrophobicContact CB-CD1 3.8Å; R92-L404 HydrophobicContact CG-CD1 4.36Å; E396-L404 HydrophobicContact CG-CD2 4.44Å; E396-L404 VanDerWaalsContact OE1-CD2 3.25Å; E396-L404 WeakPolarHBondContact OE1-CD2 3.41Å; K399-L404 HydrophobicContact CB-CD2 3.75Å; K399-L404 HydrophobicContact CB-CG 4.09Å; K399-L404 HydrophobicContact CD-CD2 3.81Å; K399-L404 HydrophobicContact CG-CD2 4.45Å; R400-L404 PolarHBondContact O-N 3.49Å; V401-L404 WeakPolarHBondContact O-CB 3.45Å; V401-L404 PolarHBondContact O-N 2.04Å; V401-L404 VanDerWaalsContact O-N 3.15Å; H402-L404 PolarHBondContact O-N 3.4Å; H402-L404 VanDerWaalsContact O-N 3.11Å
405	H	72.4	Confident	66.8	Low	46 Å²	46	86.1 Å²	86.1	21%	0.213	42%	0.419	C	S	.	.	H	α-helix	trans	-83.3	-20	-177.5	-61.7	142.5	0	0	0	114.1	T13 E91 V401 H402 H407 D408	T13-H405 VanDerWaalsContact CB-ND1 3.28Å; T13-H405 WeakPolarHBondContact CB-ND1 3.14Å; T13-H405 WeakPolarHBondContact CG2-CE1 3.24Å; T13-H405 WeakPolarHBondContact CG2-ND1 3.34Å; E91-H405 VanDerWaalsContact CD-NE2 3.3Å; E91-H405 IonicContact OE1-CE1 2.87Å; E91-H405 PolarHBondContact OE1-CE1 3.43Å; E91-H405 IonicContact OE1-NE2 2.78Å; E91-H405 PolarHBondContact OE1-NE2 2.73Å; E91-H405 IonicContact OE2-CE1 3.29Å; E91-H405 IonicContact OE2-NE2 2.92Å; V401-H405 PolarHBondContact O-ND1 3.22Å; H402-H405 PolarHBondContact O-N 3.26Å; H405-H407 PolarHBondContact O-N 3.31Å; H405-D408 PolarHBondContact O-N 2.87Å
406	D	58	Low	63.6	Low	97 Å²	97	93.1 Å²	93.1	52%	0.519	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-7.6	-179.4	-67.3	-28.6	0	0	0	114.3	H402	H402-D406 PolarHBondContact O-N 2.84Å
407	H	48.7	Very low	60.9	Low	118 Å²	118	97.7 Å²	97.7	55%	0.546	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-16	-179.8	-72.1	-78.4	0	0	0	114.5	K399 H405	K399-H407 PolarHBondContact NZ-CD2 2.8Å; K399-H407 PolarHBondContact NZ-NE2 2.84Å; H405-H407 PolarHBondContact O-N 3.31Å
408	D	43.2	Very low	58	Low	138 Å²	138	104.3 Å²	104.3	74%	0.738	51%	0.505	S	S	*	.	S	Bend	trans	-91	-9.9	-174.3	-80	-27.3	0	0	0	114.6	H405	H405-D408 PolarHBondContact O-N 2.87Å
409	H	39.6	Very low	55.3	Low	144 Å²	144	113.4 Å²	113.4	67%	0.667	55%	0.547	S	S	*	.	S	Bend	trans	-96.1	3.9	-174.1	-69	-60.1	0	0	0	115.9
410	H	42.9	Very low	52.3	Low	163 Å²	163	117.4 Å²	117.4	76%	0.755	58%	0.578	S	S	*	*	S	Bend	trans	-98.1	7	-176.6	-75.8	-53.2	0	0	0	116.3
411	H	40	Very low	49.6	Very low	166 Å²	166	120.6 Å²	120.6	77%	0.769	61%	0.609	S	S	*	*	S	Bend	trans	-111.1	3.8	-179.5	-78.6	-54.6	0	0	0	116.9
412	H	37.8	Very low	47.3	Very low	167 Å²	167	126.1 Å²	126.1	77%	0.773	65%	0.647	S	S	*	*	S	Bend	trans	-141.7	52.8	-177	-73.6	-54.7	0	0	0	115.1
413	H	39.1	Very low	45.1	Very low	173 Å²	173	128.8 Å²	128.8	80%	0.801	67%	0.67	S	S	*	*			trans	-147.4	129.7	160.5	-82.1	-69.2	0	0	0	112.3
414	H	36.5	Very low	42.8	Very low	175 Å²	175	136 Å²	136	81%	0.81	70%	0.704	S	S	*	*			trans	93.9	67	172	-59	-70	0	0	0	118.6
415	A	31.2	Very low	40.8	Very low	86 Å²	86	140.6 Å²	140.6	71%	0.711	73%	0.729	S	S	*	*				-69.9	144.5	129.7	0	0	0	0	0	109.8
416	E	30.3	Very low	39.3	Very low	171 Å²	171	145.8 Å²	145.8	80%	0.799	75%	0.751	S	S	*	*			trans	63.5	108.5	159.7	-61.2	179.1	177.4	0	0	118.1
417	H	38.9	Very low	38.6	Very low	194 Å²	194	146.8 Å²	146.8	90%	0.898	76%	0.756	S	S	*	*				-170.4	121.4	125.1	-93.1	-62.8	0	0	0	110.5
418	H	34.9	Very low	38.4	Very low	174 Å²	174	147.8 Å²	147.8	81%	0.806	76%	0.761	S	S	*	*			trans	-60.2	142.6	168.9	-72.9	-98.3	0	0	0	111.7
419	H	39.7	Very low	38.6	Very low	191 Å²	191	147.9 Å²	147.9	88%	0.884	76%	0.757	S	S	*	*				-173.8	135.5	121.4	-95.1	-64.6	0	0	0	112.1
420	S	32.4	Very low	39	Very low	109 Å²	109	148 Å²	148	76%	0.762	76%	0.757	S	S	*	*			trans	-69.1	148.5	-174.6	42	0	0	0	0	116.5
421	S	34.6	Very low	38.9	Very low	119 Å²	119	148.2 Å²	148.2	83%	0.832	76%	0.756	S	S	*	*			trans	178.5	106.5	141	164.8	0	0	0	0	111.6
422	S	36.8	Very low	39.2	Very low	124 Å²	124	145.5 Å²	145.5	87%	0.867	75%	0.747	S	S	*	*			trans	-139.9	123.5	154.1	71.7	0	0	0	0	109.7
423	S	40.3	Very low	39.5	Very low	95 Å²	95	145.8 Å²	145.8	66%	0.664	75%	0.749	S	S	*	*			trans	-94.8	138	179.3	47.4	0	0	0	0	111.6
424	E	40.8	Very low	39.6	Very low	181 Å²	181	141 Å²	141	85%	0.846	74%	0.739	S	S	*	*			trans	68.3	130.6	147.5	-59.5	172.7	155.6	0	0	116.6
425	D	39.5	Very low	40.1	Very low	121 Å²	121	140.4 Å²	140.4	65%	0.647	74%	0.736	S	S	*	*			cis	-171.6	147.3	49.2	-148.1	3.9	0	0	0	111.3
426	K	40.1	Very low	40.6	Very low	155 Å²	155	144.5 Å²	144.5	67%	0.674	74%	0.738	S	S	*	*			trans	72.9	106.3	149.6	-76	164.3	-171.8	140.1	0	125.2
427	D	42.7	Very low	41.1	Very low	119 Å²	119	144 Å²	144	64%	0.636	74%	0.735	S	S	*	*				91.6	122.3	112.1	-84.9	-26.5	0	0	0	123.7
428	H	46	Very low	41.2	Very low	138 Å²	138	141.1 Å²	141.1	64%	0.639	72%	0.722	S	S	*	*			trans	92.5	103	139	-66.2	-36.4	0	0	0	122.6
429	H	45.6	Very low	41.7	Very low	140 Å²	140	139.3 Å²	139.3	65%	0.648	71%	0.714	S	S	*	*				93.2	101.7	125.4	-70.1	-53	0	0	0	121.3
430	H	48.4	Very low	41.8	Very low	146 Å²	146	137.9 Å²	137.9	68%	0.676	71%	0.707	S	S	*	*				90.5	119.7	118	-82.1	-45.5	0	0	0	122.4
431	K	42.3	Very low	42.5	Very low	169 Å²	169	147.8 Å²	147.8	74%	0.735	73%	0.728	S	S	*	*			trans	78.9	140	138.3	-67.9	-173.1	173.6	-177.3	0	116.6
432	D	44.7	Very low	42.9	Very low	109 Å²	109	149.2 Å²	149.2	58%	0.583	72%	0.722	S	S	*	*			cis	-173.7	151.8	-3.8	-109.2	-24.5	0	0	0	106.4
433	H	44.6	Very low	43.2	Very low	173 Å²	173	150.5 Å²	150.5	80%	0.801	72%	0.715	S	S	*	*			trans	65.1	149.6	154.8	-61.4	-53.4	0	0	0	120.5
434	A	42.3	Very low	43.4	Very low	72 Å²	72	153.6 Å²	153.6	60%	0.595	72%	0.718	S	S	*	*			cis	-178.5	147.3	-21	0	0	0	0	0	107.9
435	H	46.4	Very low	43.6	Very low	163 Å²	163	152 Å²	152	76%	0.755	71%	0.71	S	S	*	*			trans	77.1	119.6	141.1	-77.4	-50.5	0	0	0	124
436	K	40.8	Very low	43.8	Very low	172 Å²	172	153.9 Å²	153.9	75%	0.748	71%	0.714	S	S	*	*				109.3	111.8	114.8	-86	177.3	-178.4	-174.4	0	119.4
437	E	40.7	Very low	44.1	Very low	159 Å²	159	153.9 Å²	153.9	74%	0.743	72%	0.717	S	S	*	*			trans	-19.3	148.4	143	-60.6	172.4	141.2	0	0	117.2
438	H	42.7	Very low	44.2	Very low	135 Å²	135	156.4 Å²	156.4	63%	0.625	72%	0.722	S	S	*	*				171.1	129.4	107.1	-92.5	-68	0	0	0	113.5
439	H	44.2	Very low	44	Very low	135 Å²	135	157.8 Å²	157.8	63%	0.625	73%	0.729	S	S	*	*				86.9	138.1	124.6	-81.9	-38.4	0	0	0	126.4
440	H	42.9	Very low	43.9	Very low	162 Å²	162	159.3 Å²	159.3	75%	0.75	74%	0.736	S	S	*	*			trans	74.8	126.2	148.3	-57.1	-46.4	0	0	0	117.3
441	R	46.7	Very low	43.5	Very low	316 Å²	316	160.5 Å²	160.5	100%	1.192	74%	0.741	S	S	*	*			cis	-149.3	0	46.9	-146.4	179.2	-162.6	-170.4	3.6	112.7

Retrieved 441 of 441 residues in 475.7 ms (Link to these results)

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