G4M149_SCHMA Loading...

Pseudouridylate synthase 1 homolog

Pseudouridylate synthase that catalyzes pseudouridylation of tRNAs and mRNAs. Acts on positions 27/28 in the anticodon stem and also positions 34 and 36 in the anticodon of an intron containing tRNA. Also catalyzes pseudouridylation of mRNAs: mediates pseudouridylation of mRNAs with the consensus sequence 5'-UGUAG-3'. Acts as a regulator of pre-mRNA splicing by mediating pseudouridylation of pre-mRNAs at locations associated with alternatively spliced regions. Pseudouridylation of pre-mRNAs near splice sites directly regulates mRNA splicing and mRNA 3'-end processing. Involved in regulation of nuclear receptor activity through pseudouridylation of SRA1 mRNA.

AlphaFold DB , UniProt , Accession G4M149, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 413 aa.

Structure Viewer

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(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	28.4	Very low	30.4	Very low	242 Å²	242	156.2 Å²	156.2	100%	1.192	86%	0.86	S	S	*	*				0	95.3	0	-76	-177.3	-162.6	0	0	109.6
2	S	30.1	Very low	30.4	Very low	119 Å²	119	156.2 Å²	156.2	83%	0.832	86%	0.855	S	S	*	*			trans	-147.8	96.8	158.4	-174.8	0	0	0	0	106	L4	S2-L4 PolarHBondContact O-N 3.32Å
3	I	33.5	Very low	30.2	Very low	154 Å²	154	158.3 Å²	158.3	79%	0.79	86%	0.855	S	S	*	*			trans	-79.7	114.3	-175.9	-67.5	167.9	0	0	0	106.6	K5	I3-K5 PolarHBondContact O-N 2.79Å
4	L	31.8	Very low	29.9	Very low	170 Å²	170	160.5 Å²	160.5	89%	0.89	86%	0.857	S	S	*	*			trans	-65.7	111.2	170.4	-75.1	163.7	0	0	0	108.4	S2 S6	S2-L4 PolarHBondContact O-N 3.32Å; L4-S6 PolarHBondContact O-N 3.47Å
5	K	32.9	Very low	29.9	Very low	201 Å²	201	158.4 Å²	158.4	87%	0.874	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-65.4	126	176.1	-77.8	178.8	173.2	-179	0	110.1	I3	I3-K5 PolarHBondContact O-N 2.79Å
6	S	32.4	Very low	29.7	Very low	109 Å²	109	155.3 Å²	155.3	76%	0.762	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-61.5	129.2	170.6	48.4	0	0	0	0	111.3	L4 E8	L4-S6 PolarHBondContact O-N 3.47Å; S6-E8 PolarHBondContact O-N 3.48Å
7	C	28.5	Very low	29.6	Very low	130 Å²	130	152.3 Å²	152.3	88%	0.878	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-66.8	123.9	168	-101.3	0	0	0	0	110.2
8	E	30.4	Very low	29.7	Very low	180 Å²	180	155.5 Å²	155.5	84%	0.841	85%	0.847	S	S	*	*	P	Polyproline II helix	trans	-68.4	130.4	173.5	-72.4	171.2	151.6	0	0	110.8	S6 T10	S6-E8 PolarHBondContact O-N 3.48Å; E8-T10 PolarHBondContact O-N 3.48Å
9	V	30.7	Very low	29.5	Very low	135 Å²	135	153.4 Å²	153.4	82%	0.818	85%	0.845	S	S	*	*			trans	-79.7	106.1	174.3	178.1	0	0	0	0	107.8	N11	V9-N11 PolarHBondContact O-N 3.18Å
10	T	29.3	Very low	29.6	Very low	120 Å²	120	153.4 Å²	153.4	74%	0.736	84%	0.842	S	S	*	*			trans	-79.4	109.7	172.6	38.3	0	0	0	0	110.2	E8 I12	E8-T10 PolarHBondContact O-N 3.48Å; T10-I12 PolarHBondContact O-N 2.66Å
11	N	26.2	Very low	29.6	Very low	158 Å²	158	152.5 Å²	152.5	85%	0.845	84%	0.841	S	S	*	*			trans	-60.2	110	167.2	-101.2	-26.5	0	0	0	109.9	V9	V9-N11 PolarHBondContact O-N 3.18Å
12	I	30.6	Very low	29.7	Very low	156 Å²	156	148 Å²	148	80%	0.8	82%	0.821	S	S	*	*			trans	-103.9	113.7	165.2	-60.7	178.7	0	0	0	107.5	T10	T10-I12 PolarHBondContact O-N 2.66Å
13	Q	28.4	Very low	29.8	Very low	184 Å²	184	149.9 Å²	149.9	86%	0.86	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-60.1	137.5	179.8	-81.2	164.1	-63.6	0	0	112.5
14	Q	25.7	Very low	29.7	Very low	189 Å²	189	148 Å²	148	88%	0.883	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-67.8	131.5	172	-73.5	172.4	-45.4	0	0	111.5
15	P	29.5	Very low	29.8	Very low	129 Å²	129	146.2 Å²	146.2	84%	0.838	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-83.6	130.1	162.5	10.6	5.3	0	0	0	110.6
16	S	27.4	Very low	29.9	Very low	108 Å²	108	141.1 Å²	141.1	76%	0.755	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-75	135.3	177.5	53.1	0	0	0	0	113.5
17	S	27.3	Very low	29.9	Very low	105 Å²	105	141.5 Å²	141.5	73%	0.734	80%	0.804	S	S	*	*			trans	48.7	114.4	141.9	65.6	0	0	0	0	120
18	K	31	Very low	30.3	Very low	210 Å²	210	143.6 Å²	143.6	91%	0.913	80%	0.798	S	S	*	*				-143.4	122.7	129.5	-84.9	-169.6	179.3	174.2	0	109.8
19	S	26.2	Very low	30.9	Very low	116 Å²	116	140 Å²	140	81%	0.811	79%	0.793	S	S	*	*			trans	-72.5	124.6	173.1	48.6	0	0	0	0	110.5
20	I	32.2	Very low	31.5	Very low	152 Å²	152	140.4 Å²	140.4	78%	0.779	79%	0.791	S	S	*	*			trans	-124.4	117.5	161	-63.1	178.6	0	0	0	105.9
21	V	28.9	Very low	32.2	Very low	135 Å²	135	138.6 Å²	138.6	82%	0.818	79%	0.788	S	S	*	*			trans	-75.1	121.9	172.9	-177.7	0	0	0	0	105.6
22	D	31.6	Very low	33.3	Very low	148 Å²	148	135.7 Å²	135.7	79%	0.791	78%	0.78	S	S	*	*			trans	-145.7	142.1	164.3	-129.8	-14.8	0	0	0	111.6
23	E	30.4	Very low	34.5	Very low	159 Å²	159	134.4 Å²	134.4	74%	0.743	78%	0.78	S	S	*	*			trans	-75.8	144.9	-150.5	-66	174.2	140.6	0	0	114.4	V25	E23-V25 PolarHBondContact O-N 3.46Å
24	S	32.8	Very low	36.4	Very low	115 Å²	115	134.8 Å²	134.8	80%	0.804	77%	0.773	S	S	*	*			trans	15.5	87	154.5	59.1	0	0	0	0	118
25	V	33.4	Very low	38.7	Very low	132 Å²	132	129.4 Å²	129.4	80%	0.8	75%	0.754	S	S	*	*			trans	-94.6	122	157.6	-177.4	0	0	0	0	107.8	E23 S27	E23-V25 PolarHBondContact O-N 3.46Å; V25-S27 PolarHBondContact O-N 3.3Å
26	P	35.3	Very low	41.6	Very low	94 Å²	94	129.8 Å²	129.8	61%	0.61	74%	0.743	S	S	*	*			trans	-64	130.5	-173.2	22.1	-27.5	0	0	0	109.9	F28	P26-F28 VanDerWaalsContact C-N 3.25Å; P26-F28 HydrophobicContact CG-CE2 4.22Å; P26-F28 PolarHBondContact O-N 2.87Å
27	S	31.7	Very low	44.8	Very low	117 Å²	117	126.4 Å²	126.4	82%	0.818	71%	0.714	S	S	*	*			trans	-63	85.7	176.6	58.8	0	0	0	0	109.8	V25 S29	V25-S27 PolarHBondContact O-N 3.3Å; S27-S29 PolarHBondContact O-N 2.9Å
28	F	37.6	Very low	48.1	Very low	173 Å²	173	124.3 Å²	124.3	76%	0.759	69%	0.69	S	S	*	*			trans	-66.7	90.8	157.8	-80.2	-83.6	0	0	0	106.2	P26 N30	P26-F28 VanDerWaalsContact C-N 3.25Å; P26-F28 HydrophobicContact CG-CE2 4.22Å; P26-F28 PolarHBondContact O-N 2.87Å; F28-N30 PolarHBondContact O-N 3.02Å
29	S	42.8	Very low	51.3	Low	106 Å²	106	115 Å²	115	74%	0.741	65%	0.65	S	S	*	*			trans	-61.4	84.8	160.5	60.9	0	0	0	0	106.5	S27 A31	S27-S29 PolarHBondContact O-N 2.9Å; S29-A31 PolarHBondContact O-N 3.02Å
30	N	43.1	Very low	54.7	Low	143 Å²	143	110.4 Å²	110.4	77%	0.765	62%	0.616	S	S	*	*			trans	-66	75.8	160.5	-80.3	-19.7	0	0	0	105.7	F28 S32	F28-N30 PolarHBondContact O-N 3.02Å; N30-S32 PolarHBondContact O-N 3.43Å
31	A	45	Very low	57.9	Low	82 Å²	82	103.2 Å²	103.2	68%	0.678	58%	0.579	S	S	*	*			trans	-61.5	81.1	153.4	0	0	0	0	0	104.5	S29 T33	S29-A31 PolarHBondContact O-N 3.02Å; A31-T33 PolarHBondContact O-N 3.43Å
32	S	48.9	Very low	61.2	Low	97 Å²	97	96.8 Å²	96.8	68%	0.678	54%	0.54	S	S	*	.			trans	-57.4	94.4	170.5	174.7	0	0	0	0	104.6	N30 R34	N30-S32 PolarHBondContact O-N 3.43Å; S32-R34 PolarHBondContact O-N 3.03Å
33	T	55.3	Low	64.4	Low	129 Å²	129	89.7 Å²	89.7	79%	0.791	50%	0.502	S	S	*	.			trans	-64.5	90.8	174.8	43.8	0	0	0	0	104.9	A31	A31-T33 PolarHBondContact O-N 3.43Å
34	R	67.6	Low	67.6	Low	192 Å²	192	82.2 Å²	82.2	73%	0.725	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-52.8	135.5	-178.5	-75.8	-178	177.1	179.9	-1.6	108	S32 K36	S32-R34 PolarHBondContact O-N 3.03Å; R34-K36 PolarHBondContact O-N 2.94Å
35	P	74.9	Confident	70.8	Confident	75 Å²	75	77.3 Å²	77.3	49%	0.487	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-56.1	135.1	-177.7	20.2	-30.8	0	0	0	110	R37 K112	P35-R37 PolarHBondContact O-N 3.03Å; P35-K112 HydrophobicContact CB-CD 4.43Å; P35-K112 HydrophobicContact CB-CG 4.37Å; P35-K112 HydrophobicContact CG-CD 3.78Å; P35-K112 HydrophobicContact CG-CG 4.09Å
36	K	89.3	Confident	73.9	Confident	138 Å²	138	71 Å²	71	60%	0.6	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-62.5	126.5	-176.8	-163.6	179.5	-153.9	174.5	0	109.1	R34 R38	R34-K36 PolarHBondContact O-N 2.94Å; K36-R38 VanDerWaalsContact CE-CZ 3.45Å; K36-R38 VanDerWaalsContact CE-NH1 3.33Å; K36-R38 VanDerWaalsContact NZ-NH2 3.2Å
37	R	95.5	Very high	76.9	Confident	37 Å²	37	66.8 Å²	66.8	14%	0.14	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	151.2	175.8	-63.4	-179.9	175.3	-104.6	7.1	111.9	P35 Q76 Q110 L111 K112	P35-R37 PolarHBondContact O-N 3.03Å; R37-Q76 VanDerWaalsContact CZ-O 3.29Å; R37-Q76 PolarHBondContact NH1-O 2.93Å; R37-Q76 PolarHBondContact NH2-O 3.31Å; R37-Q110 HydrophobicContact CB-CB 3.98Å; R37-Q110 PolarHBondContact NH1-O 2.97Å; R37-L111 CarbonylContact C-O 3.5Å; R37-L111 WeakPolarHBondContact CA-O 3.47Å; R37-L111 WeakPolarHBondContact CB-O 3.34Å; R37-K112 HydrophobicContact CG-CG 4.15Å
38	R	96.3	Very high	79.9	Confident	61 Å²	61	61.3 Å²	61.3	23%	0.23	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	145.1	175	-61.2	-61	-177.8	-148.9	20.6	109.6	K36 N40 Q110 L111	K36-R38 VanDerWaalsContact CE-CZ 3.45Å; K36-R38 VanDerWaalsContact CE-NH1 3.33Å; K36-R38 VanDerWaalsContact NZ-NH2 3.2Å; R38-N40 PolarHBondContact O-ND2 3.24Å; R38-Q110 CarbonylContact O-C 3.52Å; R38-Q110 VanDerWaalsContact O-CA 3.26Å; R38-Q110 WeakPolarHBondContact O-CA 3.11Å; R38-L111 PolarHBondContact N-O 3.49Å; R38-L111 PolarHBondContact O-N 3.36Å
39	N	97.9	Very high	82.6	Confident	15 Å²	15	58.1 Å²	58.1	8%	0.08	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	129.9	174.7	-163.4	17.5	0	0	0	108.9	M109 V137 T138 F141	N39-M109 PolarHBondContact OD1-O 3.46Å; N39-V137 HydrophobicContact CB-CG2 3.99Å; N39-V137 WeakPolarHBondContact O-CG2 3.27Å; N39-V137 PolarHBondContact O-N 3.12Å; N39-T138 PolarHBondContact ND2-O 3.09Å; N39-F141 PolarHBondContact ND2-O 2.9Å
40	N	98.4	Very high	85.1	Confident	19 Å²	19	55.3 Å²	55.3	10%	0.102	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	145.1	-178.7	-67.5	-84.4	0	0	0	109.9	R38 S108 M109 L111 I134 I135 R136	R38-N40 PolarHBondContact O-ND2 3.24Å; N40-S108 WeakPolarHBondContact O-CA 3.23Å; N40-M109 PolarHBondContact N-O 3.02Å; N40-M109 PolarHBondContact O-N 2.96Å; N40-M109 VanDerWaalsContact O-N 3.07Å; N40-L111 HydrophobicContact CB-CD1 3.73Å; N40-L111 HydrophobicContact CB-CG 4.31Å; N40-I134 HydrophobicContact CB-CG2 3.83Å; N40-I135 CarbonylContact C-O 3.26Å; N40-I135 VanDerWaalsContact CA-O 3.25Å; N40-I135 WeakPolarHBondContact CA-O 3.33Å; N40-R136 VanDerWaalsContact OD1-CA 3.28Å; N40-R136 WeakPolarHBondContact OD1-CA 3.44Å; N40-R136 PolarHBondContact OD1-N 3.29Å
41	A	98.5	Very high	87.6	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	130	163.3	0	0	0	0	0	108.9	L43 V106 C107 I134 I135 V137 F141 I310	A41-L43 HydrophobicContact CB-CD1 4.16Å; A41-V106 HydrophobicContact CB-CG1 3.84Å; A41-C107 CarbonylContact C-O 3.56Å; A41-C107 WeakPolarHBondContact CA-O 3.34Å; A41-I134 CarbonylContact O-C 3.5Å; A41-I134 WeakPolarHBondContact O-CA 3.31Å; A41-I135 PolarHBondContact N-O 3.1Å; A41-I135 PolarHBondContact O-N 2.98Å; A41-V137 HydrophobicContact CB-CG1 3.78Å; A41-F141 HydrophobicContact CB-CE1 4.02Å; A41-F141 HydrophobicContact CB-CZ 4.43Å; A41-I310 HydrophobicContact CB-CD1 3.88Å
42	I	98.7	Very high	90.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	112.1	176.1	-53.8	176.3	0	0	0	106.6	L44 L71 V106 C107 M109 L111 V131	I42-L44 HydrophobicContact CG2-CD1 4.19Å; I42-L44 HydrophobicContact CG2-CD2 3.91Å; I42-L44 HydrophobicContact CG2-CG 3.91Å; I42-L71 HydrophobicContact CD1-CD2 4.48Å; I42-V106 WeakPolarHBondContact O-CA 3.18Å; I42-C107 HydrophobicContact CB-CB 4.45Å; I42-C107 PolarHBondContact N-O 3.25Å; I42-C107 PolarHBondContact O-N 2.98Å; I42-M109 HydrophobicContact CD1-CG 3.96Å; I42-M109 HydrophobicContact CD1-SD 3.8Å; I42-L111 HydrophobicContact CD1-CD1 4.2Å; I42-L111 HydrophobicContact CG1-CD1 4.28Å; I42-V131 HydrophobicContact CG2-CG1 3.61Å; I42-V131 HydrophobicContact CG2-CG2 4.35Å
43	L	98.8	Very high	92.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	124.6	-179.3	-80.3	63.1	0	0	0	108.8	A41 V106 V131 L132 D133 I135 I310 W312 Y315	A41-L43 HydrophobicContact CB-CD1 4.16Å; L43-V106 HydrophobicContact CD1-CG2 4.16Å; L43-V106 HydrophobicContact CG-CG2 4.01Å; L43-V131 CarbonylContact O-C 3.58Å; L43-V131 WeakPolarHBondContact O-CA 3.48Å; L43-L132 HydrophobicContact CB-CB 4.3Å; L43-L132 PolarHBondContact O-N 2.67Å; L43-D133 HydrophobicContact CD2-CB 4.44Å; L43-D133 PolarHBondContact N-O 3.22Å; L43-I135 HydrophobicContact CD1-CD1 3.95Å; L43-I135 HydrophobicContact CD1-CG1 4.29Å; L43-I135 HydrophobicContact CD2-CD1 4.05Å; L43-I310 HydrophobicContact CD1-CG2 4.19Å; L43-I310 HydrophobicContact CD2-CG2 4.34Å; L43-I310 HydrophobicContact CG-CG2 4.47Å; L43-W312 HydrophobicContact CB-CH2 3.96Å; L43-W312 HydrophobicContact CB-CZ3 3.96Å; L43-W312 HydrophobicContact CD2-CE3 4.31Å; L43-W312 HydrophobicContact CD2-CH2 4.17Å; L43-W312 HydrophobicContact CD2-CZ3 3.94Å; L43-W312 HydrophobicContact CG-CH2 3.81Å; L43-W312 HydrophobicContact CG-CZ2 4.49Å; L43-W312 HydrophobicContact CG-CZ3 4Å; L43-Y315 HydrophobicContact CD2-CD2 4.23Å; L43-Y315 HydrophobicContact CD2-CE2 3.58Å
44	L	98.4	Very high	94.2	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	143.8	-166.1	-64.8	154.4	0	0	0	111.3	I42 L67 Q105 C107 R130 V131	I42-L44 HydrophobicContact CG2-CD1 4.19Å; I42-L44 HydrophobicContact CG2-CD2 3.91Å; I42-L44 HydrophobicContact CG2-CG 3.91Å; L44-L67 HydrophobicContact CD1-CD2 3.79Å; L44-L67 HydrophobicContact CD2-CD1 4.21Å; L44-L67 HydrophobicContact CD2-CD2 4.38Å; L44-Q105 HydrophobicContact CB-CB 4.26Å; L44-Q105 PolarHBondContact N-O 2.89Å; L44-Q105 PolarHBondContact O-N 3.06Å; L44-C107 HydrophobicContact CD1-CB 4.01Å; L44-C107 VanDerWaalsContact CD1-SG 3.53Å; L44-R130 WeakPolarHBondContact CA-O 3.38Å; L44-V131 HydrophobicContact CD2-CB 4.36Å; L44-V131 HydrophobicContact CD2-CG2 3.73Å
45	M	98.6	Very high	95.6	Very high	12 Å²	12	32.4 Å²	32.4	6%	0.059	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	146.7	162.1	61.3	-170.9	-178.4	0	0	109.6	A102 R130 L132 R319 F322	M45-A102 CarbonylContact C-O 3.58Å; M45-A102 WeakPolarHBondContact CA-O 3.5Å; M45-R130 HydrophobicContact CE-CB 3.74Å; M45-R130 HydrophobicContact CE-CG 4.19Å; M45-R130 HydrophobicContact CG-CB 4Å; M45-R130 PolarHBondContact N-O 3.41Å; M45-R130 PolarHBondContact O-N 3.21Å; M45-L132 HydrophobicContact CE-CD2 3.63Å; M45-L132 HydrophobicContact CE-CG 4.27Å; M45-L132 HydrophobicContact CG-CD1 4.35Å; M45-L132 HydrophobicContact CG-CG 4.38Å; M45-L132 HydrophobicContact SD-CD1 3.98Å; M45-L132 HydrophobicContact SD-CD2 3.94Å; M45-L132 HydrophobicContact SD-CG 4.13Å; M45-R319 HydrophobicContact SD-CG 4.42Å; M45-F322 HydrophobicContact CB-CD1 4.16Å; M45-F322 HydrophobicContact CB-CE1 4.28Å; M45-F322 HydrophobicContact CE-CB 3.62Å; M45-F322 HydrophobicContact CE-CD2 3.65Å; M45-F322 HydrophobicContact CE-CG 3.73Å; M45-F322 HydrophobicContact CG-CD1 3.99Å; M45-F322 HydrophobicContact CG-CD2 4.12Å; M45-F322 HydrophobicContact CG-CE1 4.24Å; M45-F322 HydrophobicContact CG-CE2 4.35Å; M45-F322 HydrophobicContact CG-CG 3.93Å; M45-F322 HydrophobicContact CG-CZ 4.42Å; M45-F322 HydrophobicContact SD-CB 3.48Å; M45-F322 WeakPolarHBondContact SD-CB 3.39Å; M45-F322 HydrophobicContact SD-CD1 3.96Å; M45-F322 HydrophobicContact SD-CD2 4.01Å; M45-F322 HydrophobicContact SD-CG 3.54Å; M45-F322 VanDerWaalsContact SD-CG 3.54Å
46	Y	98.7	Very high	96.5	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	149.9	-179.5	56.4	-97.1	0	0	0	112.3	M54 I63 T96 V100 S101 A102 Q105 N128	Y46-M54 HydrophobicContact CE1-SD 3.89Å; Y46-I63 HydrophobicContact CD1-CG1 4.32Å; Y46-I63 HydrophobicContact CD1-CG2 3.64Å; Y46-I63 HydrophobicContact CD2-CD1 3.57Å; Y46-I63 HydrophobicContact CD2-CG1 3.61Å; Y46-I63 HydrophobicContact CD2-CG2 4.43Å; Y46-I63 HydrophobicContact CE1-CG1 4.34Å; Y46-I63 HydrophobicContact CE1-CG2 3.88Å; Y46-I63 HydrophobicContact CE2-CD1 4.15Å; Y46-I63 HydrophobicContact CE2-CG1 3.67Å; Y46-I63 HydrophobicContact CG-CD1 3.83Å; Y46-I63 HydrophobicContact CG-CG1 3.94Å; Y46-I63 HydrophobicContact CG-CG2 3.92Å; Y46-T96 WeakPolarHBondContact OH-CG2 3.47Å; Y46-T96 PolarHBondContact OH-OG1 3.01Å; Y46-T96 VanDerWaalsContact OH-OG1 3.06Å; Y46-V100 WeakPolarHBondContact CE2-O 3.3Å; Y46-S101 WeakPolarHBondContact O-CA 3.27Å; Y46-S101 WeakPolarHBondContact O-CB 3.2Å; Y46-A102 HydrophobicContact CD1-CB 4.03Å; Y46-A102 HydrophobicContact CD2-CB 4.38Å; Y46-A102 HydrophobicContact CE1-CB 3.47Å; Y46-A102 VanDerWaalsContact CE1-CB 3.47Å; Y46-A102 HydrophobicContact CE2-CB 3.85Å; Y46-A102 HydrophobicContact CG-CB 4.47Å; Y46-A102 PolarHBondContact N-O 2.78Å; Y46-A102 PolarHBondContact O-N 3.15Å; Y46-Q105 HydrophobicContact CE1-CB 3.97Å; Y46-Q105 HydrophobicContact CE1-CG 4.11Å; Y46-N128 CarbonylContact C-O 3.6Å; Y46-N128 WeakPolarHBondContact CA-O 3.44Å
47	S	97.9	Very high	96.4	Very high	6 Å²	6	27.8 Å²	27.8	4%	0.042	14%	0.135	C	C	.	.			trans	-82.1	125.1	161.6	-170.5	0	0	0	0	108.8	W49 Y51 N128 Y326	S47-W49 PolarHBondContact O-N 3.48Å; S47-Y51 WeakPolarHBondContact O-CD2 3.29Å; S47-N128 PolarHBondContact N-O 3.31Å; S47-Y326 WeakPolarHBondContact CB-O 3.3Å; S47-Y326 PolarHBondContact OG-O 3.28Å
48	G	96	Very high	95.8	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.01	17%	0.166	C	C	.	.			trans	-74.3	-13.1	179.8	0	0	0	0	0	113.1	Y51 S99 S101	G48-Y51 WeakPolarHBondContact O-CB 3.43Å; G48-Y51 PolarHBondContact O-N 3.49Å; G48-S99 VanDerWaalsContact O-CA 3.29Å; G48-S99 WeakPolarHBondContact O-CA 3.41Å; G48-S101 PolarHBondContact N-OG 2.65Å
49	W	94.1	Very high	95.5	Very high	106 Å²	106	34.3 Å²	34.3	40%	0.402	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	137.2	-174.7	-176	79.4	0	0	0	112.3	S47 Y51 H330 F388	S47-W49 PolarHBondContact O-N 3.48Å; W49-Y51 WeakPolarHBondContact O-CD2 3.29Å; W49-Y51 PolarHBondContact O-N 3.19Å; W49-H330 AromaticContact CD1-CD2 3.96Å; W49-H330 AromaticContact CD1-CE1 3.38Å; W49-H330 AromaticContact CD1-NE2 2.9Å; W49-H330 AromaticContact CD2-CE1 3.47Å; W49-H330 VanDerWaalsContact CD2-CE1 3.47Å; W49-H330 AromaticContact CD2-NE2 3.77Å; W49-H330 AromaticContact CE2-CE1 3.35Å; W49-H330 AromaticContact CE2-NE2 3.77Å; W49-H330 AromaticContact CG-CD2 3.99Å; W49-H330 AromaticContact CG-CE1 3.46Å; W49-H330 VanDerWaalsContact CG-CE1 3.46Å; W49-H330 AromaticContact CG-NE2 3.22Å; W49-H330 AromaticContact CZ2-CE1 3.96Å; W49-H330 AromaticContact NE1-CE1 3.3Å; W49-H330 PolarHBondContact NE1-CE1 3.05Å; W49-H330 VanDerWaalsContact NE1-CE1 3.3Å; W49-H330 AromaticContact NE1-NE2 3.26Å; W49-H330 PolarHBondContact NE1-NE2 3.45Å; W49-F388 HydrophobicContact CH2-CD2 4.43Å; W49-F388 AromaticContact CH2-CE2 3.26Å; W49-F388 HydrophobicContact CH2-CE2 3.26Å; W49-F388 AromaticContact CH2-CZ 3.52Å; W49-F388 HydrophobicContact CH2-CZ 3.52Å; W49-F388 HydrophobicContact CZ2-CE2 4.33Å; W49-F388 AromaticContact CZ3-CE2 3.59Å; W49-F388 HydrophobicContact CZ3-CE2 3.59Å; W49-F388 AromaticContact CZ3-CZ 3.53Å; W49-F388 HydrophobicContact CZ3-CZ 3.53Å
50	G	94.4	Very high	95.3	Very high	48 Å²	48	36.9 Å²	36.9	50%	0.495	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	-10	-172.5	0	0	0	0	0	114.8	P61	G50-P61 WeakPolarHBondContact O-CG 3.42Å
51	Y	97	Very high	95.2	Very high	22 Å²	22	38.7 Å²	38.7	9%	0.086	21%	0.211	C	C	.	.	S	Bend	trans	-107.8	149.6	-178.5	-58.7	-80.3	0	0	0	113.4	S47 G48 W49 G53 P61 I63 E66 S99 N128 I129	S47-Y51 WeakPolarHBondContact O-CD2 3.29Å; G48-Y51 WeakPolarHBondContact O-CB 3.43Å; G48-Y51 PolarHBondContact O-N 3.49Å; W49-Y51 WeakPolarHBondContact O-CD2 3.29Å; W49-Y51 PolarHBondContact O-N 3.19Å; Y51-G53 PolarHBondContact O-N 3.45Å; Y51-G53 VanDerWaalsContact O-N 3.15Å; Y51-P61 WeakPolarHBondContact CA-O 3.25Å; Y51-P61 HydrophobicContact CD1-CB 3.97Å; Y51-P61 HydrophobicContact CE1-CB 4.28Å; Y51-I63 HydrophobicContact CD1-CD1 4.14Å; Y51-I63 HydrophobicContact CD2-CD1 3.52Å; Y51-I63 HydrophobicContact CE2-CD1 3.96Å; Y51-I63 HydrophobicContact CG-CD1 3.62Å; Y51-E66 HydrophobicContact CE1-CG 3.66Å; Y51-S99 PolarHBondContact O-N 2.95Å; Y51-N128 WeakPolarHBondContact CE2-ND2 3.39Å; Y51-I129 HydrophobicContact CE1-CD1 4.24Å; Y51-I129 HydrophobicContact CE2-CD1 4.2Å; Y51-I129 HydrophobicContact CE2-CG1 4.49Å
52	Y	96.3	Very high	95.2	Very high	76 Å²	76	38.9 Å²	38.9	30%	0.298	21%	0.212	S	C	.	.			trans	-89.2	39.8	177	-77.6	-113.3	0	0	0	111.7	F60 P61 K98	Y52-F60 HydrophobicContact CD1-CB 3.93Å; Y52-F60 HydrophobicContact CD1-CD1 4.27Å; Y52-F60 AromaticContact CD1-CD2 3.85Å; Y52-F60 HydrophobicContact CD1-CD2 3.85Å; Y52-F60 HydrophobicContact CD1-CE2 4.45Å; Y52-F60 AromaticContact CD1-CG 3.75Å; Y52-F60 HydrophobicContact CD1-CG 3.75Å; Y52-F60 HydrophobicContact CD2-CB 3.54Å; Y52-F60 HydrophobicContact CD2-CD1 4.14Å; Y52-F60 AromaticContact CD2-CG 3.94Å; Y52-F60 HydrophobicContact CD2-CG 3.94Å; Y52-F60 HydrophobicContact CE1-CB 4.41Å; Y52-F60 AromaticContact CE1-CD1 3.9Å; Y52-F60 HydrophobicContact CE1-CD1 3.9Å; Y52-F60 AromaticContact CE1-CD2 3.99Å; Y52-F60 HydrophobicContact CE1-CD2 3.99Å; Y52-F60 HydrophobicContact CE1-CE1 4.13Å; Y52-F60 HydrophobicContact CE1-CE2 4.22Å; Y52-F60 AromaticContact CE1-CG 3.83Å; Y52-F60 HydrophobicContact CE1-CG 3.83Å; Y52-F60 HydrophobicContact CE1-CZ 4.28Å; Y52-F60 HydrophobicContact CE2-CB 4.05Å; Y52-F60 AromaticContact CE2-CD1 3.74Å; Y52-F60 HydrophobicContact CE2-CD1 3.74Å; Y52-F60 HydrophobicContact CE2-CE1 4.47Å; Y52-F60 HydrophobicContact CE2-CG 4.01Å; Y52-F60 HydrophobicContact CG-CB 3.46Å; Y52-F60 VanDerWaalsContact CG-CB 3.46Å; Y52-F60 HydrophobicContact CG-CD1 4.39Å; Y52-F60 HydrophobicContact CG-CD2 4.28Å; Y52-F60 AromaticContact CG-CG 3.81Å; Y52-F60 HydrophobicContact CG-CG 3.81Å; Y52-F60 AromaticContact CZ-CD1 3.61Å; Y52-F60 AromaticContact CZ-CE1 3.92Å; Y52-F60 AromaticContact CZ-CG 3.96Å; Y52-P61 PolarHBondContact N-O 3.07Å; Y52-K98 HydrophobicContact CD1-CD 3.91Å; Y52-K98 HydrophobicContact CD1-CG 4.47Å; Y52-K98 HydrophobicContact CE1-CD 3.83Å; Y52-K98 HydrophobicContact CG-CD 4.32Å; Y52-K98 HydrophobicContact CG-CG 4.47Å; Y52-K98 VanDerWaalsContact CZ-NZ 3.33Å; Y52-K98 PolarHBondContact OH-NZ 3.42Å
53	G	95.3	Very high	95.2	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.01	21%	0.212	C	C	.	.			trans	86.1	-171.1	178.3	0	0	0	0	0	113.9	Y51 T62 I63 T96 D97	Y51-G53 PolarHBondContact O-N 3.45Å; Y51-G53 VanDerWaalsContact O-N 3.15Å; G53-T62 WeakPolarHBondContact O-CA 3.32Å; G53-T62 WeakPolarHBondContact O-CB 3.26Å; G53-I63 PolarHBondContact O-N 3.2Å; G53-I63 VanDerWaalsContact O-N 3.1Å; G53-T96 WeakPolarHBondContact CA-O 3.47Å; G53-D97 WeakPolarHBondContact CA-O 3.35Å
54	M	96.7	Very high	95.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.215	C	C	.	.	S	Bend	trans	-71.6	-42.7	-175.7	-178.2	69.7	-155.9	0	0	112.9	Y46 I63 E64 T96 Q105 C107	Y46-M54 HydrophobicContact CE1-SD 3.89Å; M54-I63 HydrophobicContact CE-CG2 4.24Å; M54-I63 HydrophobicContact SD-CB 3.71Å; M54-I63 HydrophobicContact SD-CG2 3.64Å; M54-E64 HydrophobicContact CE-CB 4.08Å; M54-E64 WeakPolarHBondContact O-CB 3.38Å; M54-E64 PolarHBondContact O-N 3.28Å; M54-T96 PolarHBondContact N-O 3.05Å; M54-T96 PolarHBondContact N-OG1 3.5Å; M54-Q105 HydrophobicContact SD-CG 4.41Å; M54-C107 WeakPolarHBondContact CE-SG 3.49Å
55	Q	95.8	Very high	95.1	Very high	62 Å²	62	40 Å²	40	29%	0.29	22%	0.221	S	C	.	.	S	Bend	trans	-71.6	140.9	-169.3	-166.4	162	-18.8	0	0	111.4	C57 T62 R92	Q55-C57 PolarHBondContact O-N 3.01Å; Q55-T62 VanDerWaalsContact O-CB 3.23Å; Q55-T62 WeakPolarHBondContact O-CB 3.33Å; Q55-T62 WeakPolarHBondContact O-CG2 3.45Å; Q55-R92 VanDerWaalsContact CB-CZ 3.49Å; Q55-R92 VanDerWaalsContact N-NH1 3.14Å
56	R	93.2	Very high	95.1	Very high	67 Å²	67	41 Å²	41	25%	0.253	23%	0.226	S	C	.	.			trans	-54.2	135.5	169.7	-82.8	-179	-58	148	6.1	112.2	T62 E64 L80 H85	R56-T62 WeakPolarHBondContact CA-OG1 3.3Å; R56-E64 HydrophobicContact CG-CB 3.86Å; R56-E64 HydrophobicContact CG-CG 3.67Å; R56-E64 IonicContact CZ-OE1 3.19Å; R56-E64 PolarHBondContact N-OE2 3.31Å; R56-E64 IonicContact NE-OE1 3.01Å; R56-E64 PolarHBondContact NE-OE1 3.25Å; R56-E64 IonicContact NH2-OE1 3.49Å; R56-E64 PolarHBondContact NH2-OE1 3.04Å; R56-L80 PolarHBondContact NH1-O 3.17Å; R56-H85 PolarHBondContact NH1-CE1 3.2Å; R56-H85 PolarHBondContact NH1-ND1 2.89Å; R56-H85 VanDerWaalsContact NH2-CB 3.33Å; R56-H85 PolarHBondContact NH2-CD2 3.31Å; R56-H85 VanDerWaalsContact NH2-CD2 3.32Å
57	C	88.6	Confident	95.1	Very high	50 Å²	50	41 Å²	41	34%	0.338	23%	0.226	S	C	.	.			trans	-130.9	134.9	168.7	-178.8	0	0	0	0	107.5	Q55 V59 T62	Q55-C57 PolarHBondContact O-N 3.01Å; C57-V59 PolarHBondContact O-N 3.08Å; C57-T62 HydrophobicContact CB-CG2 3.94Å
58	P	82.1	Confident	95.1	Very high	121 Å²	121	40.8 Å²	40.8	79%	0.786	22%	0.224	S	C	*	.	S	Bend	trans	-62	-28.8	-178.2	-25.2	34.5	0	0	0	114.5
59	V	90.3	Very high	95.2	Very high	113 Å²	113	45.5 Å²	45.5	69%	0.685	24%	0.244	S	C	*	.	S	Bend	trans	-98	-31.5	-168.4	-177.3	0	0	0	0	112.5	C57	C57-V59 PolarHBondContact O-N 3.08Å
60	F	94.5	Very high	95.4	Very high	69 Å²	69	40.5 Å²	40.5	30%	0.303	23%	0.225	S	C	.	.	S	Bend	trans	-119.8	147	-168.9	-61.6	-67.3	0	0	0	112.1	Y52 T62	Y52-F60 HydrophobicContact CD1-CB 3.93Å; Y52-F60 HydrophobicContact CD1-CD1 4.27Å; Y52-F60 AromaticContact CD1-CD2 3.85Å; Y52-F60 HydrophobicContact CD1-CD2 3.85Å; Y52-F60 HydrophobicContact CD1-CE2 4.45Å; Y52-F60 AromaticContact CD1-CG 3.75Å; Y52-F60 HydrophobicContact CD1-CG 3.75Å; Y52-F60 HydrophobicContact CD2-CB 3.54Å; Y52-F60 HydrophobicContact CD2-CD1 4.14Å; Y52-F60 AromaticContact CD2-CG 3.94Å; Y52-F60 HydrophobicContact CD2-CG 3.94Å; Y52-F60 HydrophobicContact CE1-CB 4.41Å; Y52-F60 AromaticContact CE1-CD1 3.9Å; Y52-F60 HydrophobicContact CE1-CD1 3.9Å; Y52-F60 AromaticContact CE1-CD2 3.99Å; Y52-F60 HydrophobicContact CE1-CD2 3.99Å; Y52-F60 HydrophobicContact CE1-CE1 4.13Å; Y52-F60 HydrophobicContact CE1-CE2 4.22Å; Y52-F60 AromaticContact CE1-CG 3.83Å; Y52-F60 HydrophobicContact CE1-CG 3.83Å; Y52-F60 HydrophobicContact CE1-CZ 4.28Å; Y52-F60 HydrophobicContact CE2-CB 4.05Å; Y52-F60 AromaticContact CE2-CD1 3.74Å; Y52-F60 HydrophobicContact CE2-CD1 3.74Å; Y52-F60 HydrophobicContact CE2-CE1 4.47Å; Y52-F60 HydrophobicContact CE2-CG 4.01Å; Y52-F60 HydrophobicContact CG-CB 3.46Å; Y52-F60 VanDerWaalsContact CG-CB 3.46Å; Y52-F60 HydrophobicContact CG-CD1 4.39Å; Y52-F60 HydrophobicContact CG-CD2 4.28Å; Y52-F60 AromaticContact CG-CG 3.81Å; Y52-F60 HydrophobicContact CG-CG 3.81Å; Y52-F60 AromaticContact CZ-CD1 3.61Å; Y52-F60 AromaticContact CZ-CE1 3.92Å; Y52-F60 AromaticContact CZ-CG 3.96Å; F60-T62 PolarHBondContact O-N 3.16Å
61	P	96.5	Very high	95.6	Very high	58 Å²	58	38.2 Å²	38.2	38%	0.377	20%	0.202	S	C	.	.			trans	-63.2	135.4	175.2	28.1	-35.3	0	0	0	110.2	G50 Y51 Y52	G50-P61 WeakPolarHBondContact O-CG 3.42Å; Y51-P61 WeakPolarHBondContact CA-O 3.25Å; Y51-P61 HydrophobicContact CD1-CB 3.97Å; Y51-P61 HydrophobicContact CE1-CB 4.28Å; Y52-P61 PolarHBondContact N-O 3.07Å
62	T	98.1	Very high	95.7	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.018	22%	0.218	C	C	.	.			trans	-142.2	155.7	-175.7	52.1	0	0	0	0	109.1	G53 Q55 R56 C57 F60 G65 E66	G53-T62 WeakPolarHBondContact O-CA 3.32Å; G53-T62 WeakPolarHBondContact O-CB 3.26Å; Q55-T62 VanDerWaalsContact O-CB 3.23Å; Q55-T62 WeakPolarHBondContact O-CB 3.33Å; Q55-T62 WeakPolarHBondContact O-CG2 3.45Å; R56-T62 WeakPolarHBondContact CA-OG1 3.3Å; C57-T62 HydrophobicContact CB-CG2 3.94Å; F60-T62 PolarHBondContact O-N 3.16Å; T62-G65 WeakPolarHBondContact O-CA 3.11Å; T62-G65 PolarHBondContact O-N 3.32Å; T62-G65 VanDerWaalsContact O-N 3.09Å; T62-G65 PolarHBondContact OG1-N 3.15Å; T62-E66 PolarHBondContact O-N 2.89Å
63	I	98.4	Very high	95.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-63.9	-45.7	-177.5	-53.7	-59.4	0	0	0	111.4	Y46 Y51 G53 M54 G65 E66 L67 I129	Y46-I63 HydrophobicContact CD1-CG1 4.32Å; Y46-I63 HydrophobicContact CD1-CG2 3.64Å; Y46-I63 HydrophobicContact CD2-CD1 3.57Å; Y46-I63 HydrophobicContact CD2-CG1 3.61Å; Y46-I63 HydrophobicContact CD2-CG2 4.43Å; Y46-I63 HydrophobicContact CE1-CG1 4.34Å; Y46-I63 HydrophobicContact CE1-CG2 3.88Å; Y46-I63 HydrophobicContact CE2-CD1 4.15Å; Y46-I63 HydrophobicContact CE2-CG1 3.67Å; Y46-I63 HydrophobicContact CG-CD1 3.83Å; Y46-I63 HydrophobicContact CG-CG1 3.94Å; Y46-I63 HydrophobicContact CG-CG2 3.92Å; Y51-I63 HydrophobicContact CD1-CD1 4.14Å; Y51-I63 HydrophobicContact CD2-CD1 3.52Å; Y51-I63 HydrophobicContact CE2-CD1 3.96Å; Y51-I63 HydrophobicContact CG-CD1 3.62Å; G53-I63 PolarHBondContact O-N 3.2Å; G53-I63 VanDerWaalsContact O-N 3.1Å; M54-I63 HydrophobicContact CE-CG2 4.24Å; M54-I63 HydrophobicContact SD-CB 3.71Å; M54-I63 HydrophobicContact SD-CG2 3.64Å; I63-G65 PolarHBondContact O-N 2.99Å; I63-E66 PolarHBondContact O-N 3.33Å; I63-L67 WeakPolarHBondContact O-CB 3.39Å; I63-L67 PolarHBondContact O-N 2.97Å; I63-I129 HydrophobicContact CD1-CD1 3.89Å; I63-I129 HydrophobicContact CD1-CG1 4.24Å; I63-I129 HydrophobicContact CG2-CD1 4.44Å; I63-I129 HydrophobicContact CG2-CG2 4.43Å
64	E	98.1	Very high	95.9	Very high	12 Å²	12	43.7 Å²	43.7	6%	0.056	24%	0.239	C	C	.	.	H	α-helix	trans	-61	-36.3	174	-173.6	-173.6	145.9	0	0	110.7	M54 R56 L67 S68 F90 R92	M54-E64 HydrophobicContact CE-CB 4.08Å; M54-E64 WeakPolarHBondContact O-CB 3.38Å; M54-E64 PolarHBondContact O-N 3.28Å; R56-E64 HydrophobicContact CG-CB 3.86Å; R56-E64 HydrophobicContact CG-CG 3.67Å; R56-E64 IonicContact CZ-OE1 3.19Å; R56-E64 PolarHBondContact N-OE2 3.31Å; R56-E64 IonicContact NE-OE1 3.01Å; R56-E64 PolarHBondContact NE-OE1 3.25Å; R56-E64 IonicContact NH2-OE1 3.49Å; R56-E64 PolarHBondContact NH2-OE1 3.04Å; E64-L67 PolarHBondContact O-N 2.82Å; E64-S68 VanDerWaalsContact O-CB 3.31Å; E64-S68 WeakPolarHBondContact O-CB 3.17Å; E64-S68 PolarHBondContact O-N 2.88Å; E64-S68 PolarHBondContact O-OG 3.21Å; E64-F90 HydrophobicContact CG-CD1 4.37Å; E64-F90 HydrophobicContact CG-CE1 3.57Å; E64-F90 HydrophobicContact CG-CZ 3.81Å; E64-R92 IonicContact OE2-NE 3.15Å
65	G	97.6	Very high	95.9	Very high	13 Å²	13	45.3 Å²	45.3	13%	0.134	26%	0.255	C	S	.	.	H	α-helix	trans	-59.4	-47.2	175.1	0	0	0	0	0	113.4	T62 I63 S68 K69	T62-G65 WeakPolarHBondContact O-CA 3.11Å; T62-G65 PolarHBondContact O-N 3.32Å; T62-G65 VanDerWaalsContact O-N 3.09Å; T62-G65 PolarHBondContact OG1-N 3.15Å; I63-G65 PolarHBondContact O-N 2.99Å; G65-S68 PolarHBondContact O-N 3.2Å; G65-K69 WeakPolarHBondContact O-CG 3.2Å; G65-K69 PolarHBondContact O-N 2.99Å
66	E	98.2	Very high	96	Very high	33 Å²	33	42.5 Å²	42.5	15%	0.154	24%	0.242	C	C	.	.	H	α-helix	trans	-67.6	-41.5	176.4	-64.5	-49.7	133.1	0	0	112.1	Y51 T62 I63 S68 K69 A70 L125 I129	Y51-E66 HydrophobicContact CE1-CG 3.66Å; T62-E66 PolarHBondContact O-N 2.89Å; I63-E66 PolarHBondContact O-N 3.33Å; E66-S68 VanDerWaalsContact C-N 3.33Å; E66-S68 PolarHBondContact O-N 3.43Å; E66-K69 PolarHBondContact O-N 3.24Å; E66-K69 IonicContact OE1-NZ 3.7Å; E66-K69 PolarHBondContact OE1-NZ 3.24Å; E66-K69 IonicContact OE2-NZ 3.26Å; E66-A70 PolarHBondContact O-N 3.23Å; E66-L125 HydrophobicContact CB-CD2 4.45Å; E66-I129 HydrophobicContact CB-CD1 3.7Å; E66-I129 HydrophobicContact CG-CD1 3.97Å
67	L	98.6	Very high	96.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-60.7	-41.9	174.6	-177.3	61.6	0	0	0	111.8	L44 I63 E64 A70 L71 F90	L44-L67 HydrophobicContact CD1-CD2 3.79Å; L44-L67 HydrophobicContact CD2-CD1 4.21Å; L44-L67 HydrophobicContact CD2-CD2 4.38Å; I63-L67 WeakPolarHBondContact O-CB 3.39Å; I63-L67 PolarHBondContact O-N 2.97Å; E64-L67 PolarHBondContact O-N 2.82Å; L67-A70 PolarHBondContact O-N 2.89Å; L67-L71 HydrophobicContact CD1-CD1 4.26Å; L67-L71 HydrophobicContact CD1-CG 4.33Å; L67-L71 HydrophobicContact CG-CD1 3.85Å; L67-L71 HydrophobicContact CG-CG 4.4Å; L67-L71 WeakPolarHBondContact O-CB 3.35Å; L67-L71 WeakPolarHBondContact O-CD1 3.49Å; L67-L71 WeakPolarHBondContact O-CG 3.22Å; L67-L71 PolarHBondContact O-N 3.46Å; L67-F90 HydrophobicContact CD2-CE2 4.01Å; L67-F90 HydrophobicContact CD2-CZ 4.09Å
68	S	98.1	Very high	96.6	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.014	24%	0.237	C	C	.	.	H	α-helix	trans	-64.7	-40.7	176.8	-61.7	0	0	0	0	112.2	E64 G65 E66 L71 F72 L80 H85	E64-S68 VanDerWaalsContact O-CB 3.31Å; E64-S68 WeakPolarHBondContact O-CB 3.17Å; E64-S68 PolarHBondContact O-N 2.88Å; E64-S68 PolarHBondContact O-OG 3.21Å; G65-S68 PolarHBondContact O-N 3.2Å; E66-S68 VanDerWaalsContact C-N 3.33Å; E66-S68 PolarHBondContact O-N 3.43Å; S68-L71 PolarHBondContact O-N 3.29Å; S68-F72 WeakPolarHBondContact O-CB 3.27Å; S68-F72 PolarHBondContact O-N 3.1Å; S68-L80 WeakPolarHBondContact O-CD2 3.44Å; S68-H85 WeakPolarHBondContact CB-NE2 3.35Å; S68-H85 PolarHBondContact OG-NE2 3.25Å
69	K	98	Very high	97.3	Very high	99 Å²	99	38.4 Å²	38.4	43%	0.43	22%	0.215	S	C	.	.	H	α-helix	trans	-60.9	-47.8	174.1	-69.9	168.7	-170.7	171.5	0	110.9	G65 E66 L71 F72 T73 L80	G65-K69 WeakPolarHBondContact O-CG 3.2Å; G65-K69 PolarHBondContact O-N 2.99Å; E66-K69 PolarHBondContact O-N 3.24Å; E66-K69 IonicContact OE1-NZ 3.7Å; E66-K69 PolarHBondContact OE1-NZ 3.24Å; E66-K69 IonicContact OE2-NZ 3.26Å; K69-L71 PolarHBondContact O-N 3.03Å; K69-F72 PolarHBondContact O-N 3.49Å; K69-T73 PolarHBondContact O-N 3.11Å; K69-T73 PolarHBondContact O-OG1 2.85Å; K69-T73 VanDerWaalsContact O-OG1 3.06Å; K69-L80 HydrophobicContact CG-CD1 4.17Å
70	A	98.7	Very high	97.5	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.008	20%	0.202	C	C	.	.	H	α-helix	trans	-61.3	-45.5	177.2	0	0	0	0	0	111.9	E66 L67 F72 T73 C74 L121 L125	E66-A70 PolarHBondContact O-N 3.23Å; L67-A70 PolarHBondContact O-N 2.89Å; A70-F72 VanDerWaalsContact C-N 3.31Å; A70-F72 PolarHBondContact O-N 3.34Å; A70-T73 PolarHBondContact O-N 2.99Å; A70-C74 WeakPolarHBondContact O-CB 3.37Å; A70-C74 PolarHBondContact O-N 3.25Å; A70-C74 PolarHBondContact O-SG 3Å; A70-L121 HydrophobicContact CB-CD2 3.89Å; A70-L125 HydrophobicContact CB-CD2 3.74Å; A70-L125 HydrophobicContact CB-CG 3.78Å
71	L	98.6	Very high	97.5	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.9	-38	175.9	-74.7	163.8	0	0	0	112.5	I42 L67 S68 K69 G75 Q76 L77 M109 L111 L121	I42-L71 HydrophobicContact CD1-CD2 4.48Å; L67-L71 HydrophobicContact CD1-CD1 4.26Å; L67-L71 HydrophobicContact CD1-CG 4.33Å; L67-L71 HydrophobicContact CG-CD1 3.85Å; L67-L71 HydrophobicContact CG-CG 4.4Å; L67-L71 WeakPolarHBondContact O-CB 3.35Å; L67-L71 WeakPolarHBondContact O-CD1 3.49Å; L67-L71 WeakPolarHBondContact O-CG 3.22Å; L67-L71 PolarHBondContact O-N 3.46Å; S68-L71 PolarHBondContact O-N 3.29Å; K69-L71 PolarHBondContact O-N 3.03Å; L71-G75 PolarHBondContact O-N 3.35Å; L71-Q76 HydrophobicContact CB-CB 4.24Å; L71-Q76 HydrophobicContact CD2-CB 3.9Å; L71-Q76 HydrophobicContact CD2-CG 4.16Å; L71-Q76 WeakPolarHBondContact O-CA 3.41Å; L71-Q76 VanDerWaalsContact O-CB 3.31Å; L71-Q76 WeakPolarHBondContact O-CB 3.39Å; L71-Q76 PolarHBondContact O-N 3.12Å; L71-L77 HydrophobicContact CB-CD1 3.85Å; L71-L77 HydrophobicContact CB-CG 3.97Å; L71-L77 HydrophobicContact CD1-CD1 4.48Å; L71-L77 PolarHBondContact O-N 3.24Å; L71-M109 HydrophobicContact CD1-CE 4.09Å; L71-M109 HydrophobicContact CD1-SD 3.51Å; L71-M109 VanDerWaalsContact CD1-SD 3.51Å; L71-M109 HydrophobicContact CD2-CE 4.45Å; L71-M109 HydrophobicContact CD2-SD 3.97Å; L71-M109 HydrophobicContact CG-SD 4.41Å; L71-L111 HydrophobicContact CD2-CD2 3.89Å; L71-L121 HydrophobicContact CD2-CD1 4.27Å; L71-L121 HydrophobicContact CD2-CD2 3.95Å; L71-L121 HydrophobicContact CG-CD2 4.07Å
72	F	98.2	Very high	97.4	Very high	96 Å²	96	37.4 Å²	37.4	42%	0.421	21%	0.213	S	C	.	.	H	α-helix	trans	-65.9	-48.5	173.9	173.7	-105.5	0	0	0	111.5	S68 K69 A70 C74 G75 L77 D78 L80	S68-F72 WeakPolarHBondContact O-CB 3.27Å; S68-F72 PolarHBondContact O-N 3.1Å; K69-F72 PolarHBondContact O-N 3.49Å; A70-F72 VanDerWaalsContact C-N 3.31Å; A70-F72 PolarHBondContact O-N 3.34Å; F72-C74 VanDerWaalsContact C-N 3.26Å; F72-C74 PolarHBondContact O-N 3.31Å; F72-G75 WeakPolarHBondContact O-CA 3.48Å; F72-G75 PolarHBondContact O-N 2.84Å; F72-L77 HydrophobicContact CB-CB 4.26Å; F72-L77 VanDerWaalsContact CD2-O 3.31Å; F72-L77 WeakPolarHBondContact CD2-O 3.39Å; F72-D78 WeakPolarHBondContact CE2-O 3.33Å; F72-L80 HydrophobicContact CB-CD2 3.64Å; F72-L80 HydrophobicContact CG-CD2 4.17Å
73	T	98.3	Very high	97.3	Very high	99 Å²	99	42.9 Å²	42.9	61%	0.607	24%	0.239	S	C	*	.	H	α-helix	trans	-56.7	-39.2	175.3	-59.4	0	0	0	0	112.1	K69 A70 G75	K69-T73 PolarHBondContact O-N 3.11Å; K69-T73 PolarHBondContact O-OG1 2.85Å; K69-T73 VanDerWaalsContact O-OG1 3.06Å; A70-T73 PolarHBondContact O-N 2.99Å; T73-G75 PolarHBondContact O-N 3.38Å
74	C	98	Very high	97.2	Very high	20 Å²	20	43.3 Å²	43.3	14%	0.135	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	8	175.8	-58	0	0	0	0	114	A70 F72 Q76 L117 L121	A70-C74 WeakPolarHBondContact O-CB 3.37Å; A70-C74 PolarHBondContact O-N 3.25Å; A70-C74 PolarHBondContact O-SG 3Å; F72-C74 VanDerWaalsContact C-N 3.26Å; F72-C74 PolarHBondContact O-N 3.31Å; C74-Q76 VanDerWaalsContact C-N 3.28Å; C74-Q76 HydrophobicContact CB-CG 4.47Å; C74-Q76 PolarHBondContact O-N 2.66Å; C74-L117 HydrophobicContact CB-CD1 3.78Å; C74-L121 HydrophobicContact CB-CD2 4.46Å
75	G	96.8	Very high	97.1	Very high	34 Å²	34	43 Å²	43	35%	0.351	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	15.7	177.1	0	0	0	0	0	115.1	L71 F72 T73 K112	L71-G75 PolarHBondContact O-N 3.35Å; F72-G75 WeakPolarHBondContact O-CA 3.48Å; F72-G75 PolarHBondContact O-N 2.84Å; T73-G75 PolarHBondContact O-N 3.38Å; G75-K112 WeakPolarHBondContact O-CD 3.49Å; G75-K112 WeakPolarHBondContact O-CE 3.05Å; G75-K112 PolarHBondContact O-NZ 2.7Å
76	Q	97.9	Very high	97.1	Very high	3 Å²	3	47.3 Å²	47.3	1%	0.014	25%	0.254	C	S	.	.	S	Bend	trans	-84.3	-27.4	178.8	-63.4	-62.3	-32.6	0	0	112.8	R37 L71 C74 L111 L117	R37-Q76 VanDerWaalsContact CZ-O 3.29Å; R37-Q76 PolarHBondContact NH1-O 2.93Å; R37-Q76 PolarHBondContact NH2-O 3.31Å; L71-Q76 HydrophobicContact CB-CB 4.24Å; L71-Q76 HydrophobicContact CD2-CB 3.9Å; L71-Q76 HydrophobicContact CD2-CG 4.16Å; L71-Q76 WeakPolarHBondContact O-CA 3.41Å; L71-Q76 VanDerWaalsContact O-CB 3.31Å; L71-Q76 WeakPolarHBondContact O-CB 3.39Å; L71-Q76 PolarHBondContact O-N 3.12Å; C74-Q76 VanDerWaalsContact C-N 3.28Å; C74-Q76 HydrophobicContact CB-CG 4.47Å; C74-Q76 PolarHBondContact O-N 2.66Å; Q76-L111 HydrophobicContact CB-CD2 4.1Å; Q76-L111 HydrophobicContact CG-CD2 4.11Å; Q76-L117 HydrophobicContact CG-CD1 3.67Å; Q76-L117 HydrophobicContact CG-CD2 4.01Å
77	L	97.6	Very high	97	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.016	26%	0.261	C	S	.	.			trans	-113.3	145.5	171.5	-60.3	174.7	0	0	0	109.7	L71 F72 L80 E84 V88 M109	L71-L77 HydrophobicContact CB-CD1 3.85Å; L71-L77 HydrophobicContact CB-CG 3.97Å; L71-L77 HydrophobicContact CD1-CD1 4.48Å; L71-L77 PolarHBondContact O-N 3.24Å; F72-L77 HydrophobicContact CB-CB 4.26Å; F72-L77 VanDerWaalsContact CD2-O 3.31Å; F72-L77 WeakPolarHBondContact CD2-O 3.39Å; L77-L80 HydrophobicContact CD1-CD2 4.42Å; L77-E84 HydrophobicContact CB-CG 4.28Å; L77-E84 HydrophobicContact CD2-CG 4.12Å; L77-V88 HydrophobicContact CD2-CG1 4.24Å; L77-V88 HydrophobicContact CD2-CG2 3.8Å; L77-M109 HydrophobicContact CD2-CE 3.81Å
78	D	96.2	Very high	96.9	Very high	86 Å²	86	49.5 Å²	49.5	46%	0.46	26%	0.261	S	S	.	.	S	Bend	trans	-87.8	-19.6	176.8	-54.9	-34.8	0	0	0	111.7	F72 E84 R87 K112	F72-D78 WeakPolarHBondContact CE2-O 3.33Å; D78-E84 PolarHBondContact N-OE1 3.05Å; D78-R87 IonicContact OD2-CZ 2.83Å; D78-R87 IonicContact OD2-NH2 3.39Å; D78-R87 PolarHBondContact OD2-NH2 2.88Å; D78-K112 IonicContact OD1-NZ 2.8Å
79	N	96.1	Very high	96.9	Very high	63 Å²	63	54.5 Å²	54.5	34%	0.337	28%	0.284	S	S	.	.			trans	-164.1	-176.9	172.2	59.6	72.1	0	0	0	110.4	T81 E84	N79-T81 VanDerWaalsContact OD1-CB 3.28Å; N79-T81 WeakPolarHBondContact OD1-CB 2.9Å; N79-T81 VanDerWaalsContact OD1-CG2 3.24Å; N79-T81 WeakPolarHBondContact OD1-CG2 3.48Å; N79-T81 PolarHBondContact OD1-N 2.81Å; N79-T81 PolarHBondContact OD1-OG1 3.35Å; N79-E84 VanDerWaalsContact O-CG 3.27Å; N79-E84 WeakPolarHBondContact O-CG 3.46Å; N79-E84 VanDerWaalsContact OD1-CB 3.25Å; N79-E84 WeakPolarHBondContact OD1-CB 3.36Å
80	L	94.7	Very high	96.9	Very high	79 Å²	79	50.6 Å²	50.6	41%	0.414	27%	0.267	S	S	.	.	S	Bend	trans	-102.6	11.4	-176	-58.5	-178.1	0	0	0	114.5	R56 S68 K69 F72 L77	R56-L80 PolarHBondContact NH1-O 3.17Å; S68-L80 WeakPolarHBondContact O-CD2 3.44Å; K69-L80 HydrophobicContact CG-CD1 4.17Å; F72-L80 HydrophobicContact CB-CD2 3.64Å; F72-L80 HydrophobicContact CG-CD2 4.17Å; L77-L80 HydrophobicContact CD1-CD2 4.42Å
81	T	95.1	Very high	96.9	Very high	73 Å²	73	54.6 Å²	54.6	45%	0.448	29%	0.286	S	S	.	.	S	Bend	trans	-70.4	161.1	-176.7	67.6	0	0	0	0	112.6	N79 E83 E84 H85	N79-T81 VanDerWaalsContact OD1-CB 3.28Å; N79-T81 WeakPolarHBondContact OD1-CB 2.9Å; N79-T81 VanDerWaalsContact OD1-CG2 3.24Å; N79-T81 WeakPolarHBondContact OD1-CG2 3.48Å; N79-T81 PolarHBondContact OD1-N 2.81Å; N79-T81 PolarHBondContact OD1-OG1 3.35Å; T81-E83 VanDerWaalsContact C-N 3.32Å; T81-E83 PolarHBondContact O-N 2.99Å; T81-E84 PolarHBondContact O-N 3.42Å; T81-E84 WeakPolarHBondContact OG1-CB 3.27Å; T81-E84 PolarHBondContact OG1-N 3.13Å; T81-H85 PolarHBondContact O-N 3.45Å; T81-H85 PolarHBondContact O-ND1 2.63Å
82	S	94.2	Very high	96.9	Very high	66 Å²	66	55.8 Å²	55.8	46%	0.462	29%	0.29	S	S	.	.	H	α-helix	trans	-63.5	-37.1	174.2	-60	0	0	0	0	112.6	E84 H85 K86	S82-E84 VanDerWaalsContact C-N 3.31Å; S82-E84 PolarHBondContact O-N 3.37Å; S82-H85 PolarHBondContact O-N 2.88Å; S82-K86 WeakPolarHBondContact O-CG 3.42Å; S82-K86 PolarHBondContact O-N 3.1Å
83	E	96.3	Very high	96.9	Very high	119 Å²	119	51.2 Å²	51.2	56%	0.556	27%	0.27	S	S	*	.	H	α-helix	trans	-63.5	-38.3	177.7	-66.3	-50.6	122	0	0	112	T81 H85 K86 R87	T81-E83 VanDerWaalsContact C-N 3.32Å; T81-E83 PolarHBondContact O-N 2.99Å; E83-H85 VanDerWaalsContact C-N 3.32Å; E83-H85 PolarHBondContact O-N 3.14Å; E83-K86 PolarHBondContact O-N 3.4Å; E83-K86 IonicContact OE1-NZ 3.35Å; E83-K86 PolarHBondContact OE1-NZ 3.42Å; E83-R87 WeakPolarHBondContact O-CB 3.48Å; E83-R87 PolarHBondContact O-N 3.01Å
84	E	96.2	Very high	96.8	Very high	9 Å²	9	47.1 Å²	47.1	4%	0.042	25%	0.246	C	C	.	.	H	α-helix	trans	-63.3	-39	174.8	177	58.3	-168.8	0	0	112.2	L77 D78 N79 T81 S82 R87 V88	L77-E84 HydrophobicContact CB-CG 4.28Å; L77-E84 HydrophobicContact CD2-CG 4.12Å; D78-E84 PolarHBondContact N-OE1 3.05Å; N79-E84 VanDerWaalsContact O-CG 3.27Å; N79-E84 WeakPolarHBondContact O-CG 3.46Å; N79-E84 VanDerWaalsContact OD1-CB 3.25Å; N79-E84 WeakPolarHBondContact OD1-CB 3.36Å; T81-E84 PolarHBondContact O-N 3.42Å; T81-E84 WeakPolarHBondContact OG1-CB 3.27Å; T81-E84 PolarHBondContact OG1-N 3.13Å; S82-E84 VanDerWaalsContact C-N 3.31Å; S82-E84 PolarHBondContact O-N 3.37Å; E84-R87 WeakPolarHBondContact O-CB 3.4Å; E84-R87 PolarHBondContact O-N 3.08Å; E84-R87 IonicContact OE1-CZ 3.75Å; E84-R87 IonicContact OE1-NE 2.75Å; E84-R87 IonicContact OE1-NH2 3.08Å; E84-R87 PolarHBondContact OE1-NH2 3.36Å; E84-R87 IonicContact OE2-CZ 2.67Å; E84-R87 IonicContact OE2-NE 3.66Å; E84-R87 PolarHBondContact OE2-NE 3.27Å; E84-R87 IonicContact OE2-NH2 3.45Å; E84-R87 PolarHBondContact OE2-NH2 3.39Å; E84-V88 WeakPolarHBondContact O-CG2 3.48Å; E84-V88 PolarHBondContact O-N 3.12Å
85	H	96.4	Very high	96.6	Very high	5 Å²	5	51.1 Å²	51.1	2%	0.023	26%	0.261	C	S	.	.	H	α-helix	trans	-70.5	-37.2	176.7	-72.2	65.5	0	0	0	112.5	R56 S68 T81 S82 E83 R87 V88 H89 F90	R56-H85 PolarHBondContact NH1-CE1 3.2Å; R56-H85 PolarHBondContact NH1-ND1 2.89Å; R56-H85 VanDerWaalsContact NH2-CB 3.33Å; R56-H85 PolarHBondContact NH2-CD2 3.31Å; R56-H85 VanDerWaalsContact NH2-CD2 3.32Å; S68-H85 WeakPolarHBondContact CB-NE2 3.35Å; S68-H85 PolarHBondContact OG-NE2 3.25Å; T81-H85 PolarHBondContact O-N 3.45Å; T81-H85 PolarHBondContact O-ND1 2.63Å; S82-H85 PolarHBondContact O-N 2.88Å; E83-H85 VanDerWaalsContact C-N 3.32Å; E83-H85 PolarHBondContact O-N 3.14Å; H85-R87 VanDerWaalsContact C-N 3.34Å; H85-V88 WeakPolarHBondContact O-CG2 3.41Å; H85-V88 PolarHBondContact O-N 2.81Å; H85-H89 PolarHBondContact O-N 3.38Å; H85-H89 VanDerWaalsContact O-N 3.14Å; H85-F90 HydrophobicContact CB-CB 4.2Å; H85-F90 PolarHBondContact O-N 3.05Å
86	K	97.1	Very high	96.4	Very high	104 Å²	104	50.1 Å²	50.1	45%	0.452	25%	0.248	S	C	.	.	H	α-helix	trans	-62.1	-43.5	171.4	-71	174.4	-173.3	168.8	0	110.8	S82 E83 V88 H89	S82-K86 WeakPolarHBondContact O-CG 3.42Å; S82-K86 PolarHBondContact O-N 3.1Å; E83-K86 PolarHBondContact O-N 3.4Å; E83-K86 IonicContact OE1-NZ 3.35Å; E83-K86 PolarHBondContact OE1-NZ 3.42Å; K86-V88 VanDerWaalsContact C-N 3.32Å; K86-V88 PolarHBondContact O-N 2.79Å; K86-H89 WeakPolarHBondContact O-CA 3.24Å; K86-H89 PolarHBondContact O-N 3.49Å
87	R	96.5	Very high	96	Very high	78 Å²	78	52.2 Å²	52.2	29%	0.294	26%	0.259	S	S	.	.	H	α-helix	trans	-59.7	-38.6	179.7	-173.1	-178.1	70.2	74.6	-11.1	112.9	D78 E83 E84 H85 H89	D78-R87 IonicContact OD2-CZ 2.83Å; D78-R87 IonicContact OD2-NH2 3.39Å; D78-R87 PolarHBondContact OD2-NH2 2.88Å; E83-R87 WeakPolarHBondContact O-CB 3.48Å; E83-R87 PolarHBondContact O-N 3.01Å; E84-R87 WeakPolarHBondContact O-CB 3.4Å; E84-R87 PolarHBondContact O-N 3.08Å; E84-R87 IonicContact OE1-CZ 3.75Å; E84-R87 IonicContact OE1-NE 2.75Å; E84-R87 IonicContact OE1-NH2 3.08Å; E84-R87 PolarHBondContact OE1-NH2 3.36Å; E84-R87 IonicContact OE2-CZ 2.67Å; E84-R87 IonicContact OE2-NE 3.66Å; E84-R87 PolarHBondContact OE2-NE 3.27Å; E84-R87 IonicContact OE2-NH2 3.45Å; E84-R87 PolarHBondContact OE2-NH2 3.39Å; H85-R87 VanDerWaalsContact C-N 3.34Å; R87-H89 VanDerWaalsContact C-N 3.31Å
88	V	97.1	Very high	95.7	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	8.5	175.5	-58.1	0	0	0	0	112.9	L77 E84 H85 K86 F90 M109 Q110	L77-V88 HydrophobicContact CD2-CG1 4.24Å; L77-V88 HydrophobicContact CD2-CG2 3.8Å; E84-V88 WeakPolarHBondContact O-CG2 3.48Å; E84-V88 PolarHBondContact O-N 3.12Å; H85-V88 WeakPolarHBondContact O-CG2 3.41Å; H85-V88 PolarHBondContact O-N 2.81Å; K86-V88 VanDerWaalsContact C-N 3.32Å; K86-V88 PolarHBondContact O-N 2.79Å; V88-F90 VanDerWaalsContact C-N 3.28Å; V88-F90 HydrophobicContact CG2-CB 4.37Å; V88-F90 PolarHBondContact O-N 3.22Å; V88-M109 HydrophobicContact CB-CE 4.04Å; V88-M109 HydrophobicContact CG2-CB 4.45Å; V88-M109 HydrophobicContact CG2-CE 3.58Å; V88-M109 CarbonylContact O-C 3.49Å; V88-M109 WeakPolarHBondContact O-CA 3.24Å; V88-M109 WeakPolarHBondContact O-CB 3.48Å; V88-Q110 HydrophobicContact CB-CB 4.47Å; V88-Q110 PolarHBondContact O-N 3.04Å
89	H	97.6	Very high	95.6	Very high	108 Å²	108	55.4 Å²	55.4	50%	0.5	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	42	179.4	-56	-83.1	0	0	0	113.7	H85 K86 R87 Q91 Q110	H85-H89 PolarHBondContact O-N 3.38Å; H85-H89 VanDerWaalsContact O-N 3.14Å; K86-H89 WeakPolarHBondContact O-CA 3.24Å; K86-H89 PolarHBondContact O-N 3.49Å; R87-H89 VanDerWaalsContact C-N 3.31Å; H89-Q91 PolarHBondContact O-N 3.29Å; H89-Q110 PolarHBondContact CD2-NE2 2.79Å; H89-Q110 VanDerWaalsContact CD2-NE2 3.26Å
90	F	98.3	Very high	95.5	Very high	16 Å²	16	52.5 Å²	52.5	7%	0.07	26%	0.26	C	S	.	.			trans	-61.4	127.5	177.4	-172.8	-85.8	0	0	0	110.8	E64 L67 H85 V88 C107 S108 M109	E64-F90 HydrophobicContact CG-CD1 4.37Å; E64-F90 HydrophobicContact CG-CE1 3.57Å; E64-F90 HydrophobicContact CG-CZ 3.81Å; L67-F90 HydrophobicContact CD2-CE2 4.01Å; L67-F90 HydrophobicContact CD2-CZ 4.09Å; H85-F90 HydrophobicContact CB-CB 4.2Å; H85-F90 PolarHBondContact O-N 3.05Å; V88-F90 VanDerWaalsContact C-N 3.28Å; V88-F90 HydrophobicContact CG2-CB 4.37Å; V88-F90 PolarHBondContact O-N 3.22Å; F90-C107 HydrophobicContact CE2-CB 3.99Å; F90-C107 HydrophobicContact CZ-CB 3.86Å; F90-S108 CarbonylContact C-O 3.55Å; F90-S108 WeakPolarHBondContact CA-O 3.45Å; F90-M109 HydrophobicContact CB-CB 4.39Å; F90-M109 HydrophobicContact CD2-CB 4.13Å; F90-M109 HydrophobicContact CD2-CG 4.44Å; F90-M109 HydrophobicContact CD2-SD 3.82Å; F90-M109 HydrophobicContact CE2-SD 4.28Å
91	Q	98	Very high	95.7	Very high	86 Å²	86	49.1 Å²	49.1	40%	0.402	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	157.7	177.4	-68.8	-64.2	-39.4	0	0	109.9	H89 C107 S108 S143	H89-Q91 PolarHBondContact O-N 3.29Å; Q91-C107 CarbonylContact O-C 3.58Å; Q91-C107 WeakPolarHBondContact O-CA 3.32Å; Q91-C107 WeakPolarHBondContact O-CB 3.29Å; Q91-S108 PolarHBondContact N-O 3.19Å; Q91-S108 PolarHBondContact O-N 3.18Å; Q91-S143 PolarHBondContact O-OG 3.29Å
92	R	98	Very high	95.9	Very high	24 Å²	24	45.7 Å²	45.7	9%	0.091	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	143.6	176.3	61	-144	168.7	106.7	4.8	111.1	Q55 E64 K95 S143	Q55-R92 VanDerWaalsContact CB-CZ 3.49Å; Q55-R92 VanDerWaalsContact N-NH1 3.14Å; E64-R92 IonicContact OE2-NE 3.15Å; R92-K95 VanDerWaalsContact NH2-CD 3.34Å; R92-S143 VanDerWaalsContact C-OG 3.25Å; R92-S143 VanDerWaalsContact CA-OG 3.23Å; R92-S143 WeakPolarHBondContact CA-OG 3.28Å; R92-S143 PolarHBondContact N-OG 2.89Å
93	A	98	Very high	96.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-70.4	-34.2	-177.5	0	0	0	0	0	112.6	V106 S143 C147 R150 V292 F294	A93-V106 HydrophobicContact CB-CB 4.38Å; A93-V106 WeakPolarHBondContact CB-O 3.47Å; A93-V106 PolarHBondContact N-O 3.49Å; A93-S143 VanDerWaalsContact CA-O 3.26Å; A93-S143 WeakPolarHBondContact CA-O 3.33Å; A93-S143 VanDerWaalsContact CB-O 3.23Å; A93-S143 WeakPolarHBondContact CB-O 3.44Å; A93-S143 PolarHBondContact N-OG 3.38Å; A93-C147 HydrophobicContact CB-CB 4.35Å; A93-R150 PolarHBondContact O-NE 2.87Å; A93-R150 PolarHBondContact O-NH2 3.26Å; A93-V292 HydrophobicContact CB-CB 4.09Å; A93-V292 HydrophobicContact CB-CG1 3.75Å; A93-V292 HydrophobicContact CB-CG2 3.86Å; A93-F294 HydrophobicContact CB-CZ 4.09Å
94	S	96.2	Very high	96.2	Very high	14 Å²	14	37 Å²	37	10%	0.098	17%	0.174	C	C	.	.			trans	-139.5	147.6	174.7	-155.9	0	0	0	0	113	Q105 Y152	S94-Q105 PolarHBondContact O-NE2 3.33Å; S94-Y152 PolarHBondContact OG-OH 2.94Å
95	K	94.2	Very high	96.3	Very high	104 Å²	104	36.5 Å²	36.5	45%	0.452	17%	0.172	S	C	.	.			trans	-82.8	150.8	160.7	-48.6	-164.5	-179	-170.1	0	107.8	R92 Y152	R92-K95 VanDerWaalsContact NH2-CD 3.34Å; K95-Y152 PolarHBondContact O-OH 3.47Å
96	T	93.3	Very high	96.4	Very high	13 Å²	13	36.3 Å²	36.3	8%	0.08	17%	0.171	C	C	.	.			trans	-126.1	144.9	168.8	59.2	0	0	0	0	109.2	Y46 G53 M54 V100	Y46-T96 WeakPolarHBondContact OH-CG2 3.47Å; Y46-T96 PolarHBondContact OH-OG1 3.01Å; Y46-T96 VanDerWaalsContact OH-OG1 3.06Å; G53-T96 WeakPolarHBondContact CA-O 3.47Å; M54-T96 PolarHBondContact N-O 3.05Å; M54-T96 PolarHBondContact N-OG1 3.5Å; T96-V100 HydrophobicContact CG2-CG1 4Å
97	D	88.6	Confident	96.5	Very high	46 Å²	46	31.3 Å²	31.3	25%	0.246	15%	0.149	C	C	.	.			trans	-67.6	168.8	174	-68.9	-12.5	0	0	0	110	G53 S99 V100 L245 H246	G53-D97 WeakPolarHBondContact CA-O 3.35Å; D97-S99 PolarHBondContact O-N 2.95Å; D97-V100 HydrophobicContact CB-CG2 3.92Å; D97-V100 WeakPolarHBondContact O-CB 3.34Å; D97-V100 PolarHBondContact O-N 3.29Å; D97-L245 VanDerWaalsContact OD1-CD1 3.29Å; D97-L245 WeakPolarHBondContact OD1-CD1 3.44Å; D97-H246 IonicContact OD2-CE1 3.82Å; D97-H246 IonicContact OD2-ND1 3.31Å; D97-H246 PolarHBondContact OD2-ND1 3.3Å
98	K	92.2	Very high	96.6	Very high	103 Å²	103	27.7 Å²	27.7	45%	0.448	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	137	171.1	176.9	176.7	177.6	178.7	0	110.8	Y52 V100	Y52-K98 HydrophobicContact CD1-CD 3.91Å; Y52-K98 HydrophobicContact CD1-CG 4.47Å; Y52-K98 HydrophobicContact CE1-CD 3.83Å; Y52-K98 HydrophobicContact CG-CD 4.32Å; Y52-K98 HydrophobicContact CG-CG 4.47Å; Y52-K98 VanDerWaalsContact CZ-NZ 3.33Å; Y52-K98 PolarHBondContact OH-NZ 3.42Å; K98-V100 PolarHBondContact O-N 3.1Å; K98-V100 VanDerWaalsContact O-N 3.17Å
99	S	93.1	Very high	96.6	Very high	53 Å²	53	27.7 Å²	27.7	37%	0.371	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.9	0.8	-179.8	-51.4	0	0	0	0	116.8	G48 Y51 D97	G48-S99 VanDerWaalsContact O-CA 3.29Å; G48-S99 WeakPolarHBondContact O-CA 3.41Å; Y51-S99 PolarHBondContact O-N 2.95Å; D97-S99 PolarHBondContact O-N 2.95Å
100	V	95.3	Very high	96.7	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.012	13%	0.126	C	C	.	.			trans	-85	121.9	-178.8	170.7	0	0	0	0	110.8	Y46 T96 D97 K98 L287	Y46-V100 WeakPolarHBondContact CE2-O 3.3Å; T96-V100 HydrophobicContact CG2-CG1 4Å; D97-V100 HydrophobicContact CB-CG2 3.92Å; D97-V100 WeakPolarHBondContact O-CB 3.34Å; D97-V100 PolarHBondContact O-N 3.29Å; K98-V100 PolarHBondContact O-N 3.1Å; K98-V100 VanDerWaalsContact O-N 3.17Å; V100-L287 HydrophobicContact CG1-CD2 4.49Å; V100-L287 HydrophobicContact CG1-CG 4.3Å; V100-L287 HydrophobicContact CG2-CB 4.4Å; V100-L287 HydrophobicContact CG2-CD2 4.08Å; V100-L287 HydrophobicContact CG2-CG 4.37Å
101	S	98.1	Very high	96.7	Very high	9 Å²	9	24.8 Å²	24.8	6%	0.063	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	163.9	178.3	-58.2	0	0	0	0	113	Y46 G48 M288 L289	Y46-S101 WeakPolarHBondContact O-CA 3.27Å; Y46-S101 WeakPolarHBondContact O-CB 3.2Å; G48-S101 PolarHBondContact N-OG 2.65Å; S101-M288 WeakPolarHBondContact O-CA 3.22Å; S101-L289 PolarHBondContact O-N 3.14Å
102	A	98.4	Very high	96.6	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	139.3	169.7	0	0	0	0	0	111.9	M45 Y46 Q105 L289	M45-A102 CarbonylContact C-O 3.58Å; M45-A102 WeakPolarHBondContact CA-O 3.5Å; Y46-A102 HydrophobicContact CD1-CB 4.03Å; Y46-A102 HydrophobicContact CD2-CB 4.38Å; Y46-A102 HydrophobicContact CE1-CB 3.47Å; Y46-A102 VanDerWaalsContact CE1-CB 3.47Å; Y46-A102 HydrophobicContact CE2-CB 3.85Å; Y46-A102 HydrophobicContact CG-CB 4.47Å; Y46-A102 PolarHBondContact N-O 2.78Å; Y46-A102 PolarHBondContact O-N 3.15Å; A102-Q105 HydrophobicContact CB-CB 3.99Å; A102-L289 CarbonylContact C-O 3.56Å; A102-L289 VanDerWaalsContact CA-O 3.24Å; A102-L289 WeakPolarHBondContact CA-O 3.46Å; A102-L289 HydrophobicContact CB-CB 3.84Å; A102-L289 HydrophobicContact CB-CD2 4.02Å; A102-L289 HydrophobicContact CB-CG 4.27Å
103	L	98.5	Very high	96.4	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.01	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	-5.8	178.4	-58.6	171.4	0	0	0	112.7	M288 L289 N290 R319 F322 K323 V327	L103-M288 HydrophobicContact CD1-SD 4.13Å; L103-L289 PolarHBondContact N-O 3.37Å; L103-N290 CarbonylContact C-O 3.49Å; L103-N290 VanDerWaalsContact C-O 3.26Å; L103-N290 WeakPolarHBondContact CB-O 3.39Å; L103-R319 WeakPolarHBondContact O-CD 3.46Å; L103-R319 WeakPolarHBondContact O-CG 3.37Å; L103-R319 PolarHBondContact O-NE 2.91Å; L103-F322 HydrophobicContact CD2-CD1 3.94Å; L103-K323 HydrophobicContact CD1-CB 3.79Å; L103-K323 HydrophobicContact CD1-CD 3.5Å; L103-K323 VanDerWaalsContact CD1-CD 3.5Å; L103-K323 HydrophobicContact CD1-CG 3.6Å; L103-K323 HydrophobicContact CD2-CB 3.71Å; L103-K323 HydrophobicContact CD2-CG 4.28Å; L103-K323 HydrophobicContact CG-CB 4.4Å; L103-V327 HydrophobicContact CD2-CG2 4.06Å
104	G	98.5	Very high	96.3	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	58.9	-175.8	0	0	0	0	0	111	N290 Q291 V292 W312	G104-N290 WeakPolarHBondContact CA-O 3.25Å; G104-N290 PolarHBondContact N-O 3.37Å; G104-Q291 CarbonylContact O-C 3.58Å; G104-Q291 WeakPolarHBondContact O-CA 3.46Å; G104-V292 WeakPolarHBondContact O-CG2 3.42Å; G104-V292 PolarHBondContact O-N 2.87Å; G104-W312 VanDerWaalsContact CA-CZ2 3.46Å; G104-W312 WeakPolarHBondContact O-CZ2 3.43Å
105	Q	98.6	Very high	96.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	148.7	173.7	178.4	68.7	-88.2	0	0	109.8	L44 Y46 M54 S94 A102 L289 W312	L44-Q105 HydrophobicContact CB-CB 4.26Å; L44-Q105 PolarHBondContact N-O 2.89Å; L44-Q105 PolarHBondContact O-N 3.06Å; Y46-Q105 HydrophobicContact CE1-CB 3.97Å; Y46-Q105 HydrophobicContact CE1-CG 4.11Å; M54-Q105 HydrophobicContact SD-CG 4.41Å; S94-Q105 PolarHBondContact O-NE2 3.33Å; A102-Q105 HydrophobicContact CB-CB 3.99Å; Q105-L289 HydrophobicContact CB-CD2 4.23Å; Q105-W312 WeakPolarHBondContact O-CH2 3.41Å
106	V	98.8	Very high	96.3	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	129.1	170.4	176.7	0	0	0	0	110.3	A41 I42 L43 A93 S143 V292 F294 I310 W312	A41-V106 HydrophobicContact CB-CG1 3.84Å; I42-V106 WeakPolarHBondContact O-CA 3.18Å; L43-V106 HydrophobicContact CD1-CG2 4.16Å; L43-V106 HydrophobicContact CG-CG2 4.01Å; A93-V106 HydrophobicContact CB-CB 4.38Å; A93-V106 WeakPolarHBondContact CB-O 3.47Å; A93-V106 PolarHBondContact N-O 3.49Å; V106-S143 WeakPolarHBondContact O-CB 3.28Å; V106-V292 HydrophobicContact CB-CG2 3.98Å; V106-V292 HydrophobicContact CG2-CG2 3.75Å; V106-F294 HydrophobicContact CB-CE2 3.72Å; V106-F294 HydrophobicContact CB-CZ 3.9Å; V106-F294 HydrophobicContact CG1-CE2 4.08Å; V106-F294 HydrophobicContact CG1-CZ 4.04Å; V106-F294 HydrophobicContact CG2-CD2 4.48Å; V106-F294 HydrophobicContact CG2-CE2 3.59Å; V106-F294 HydrophobicContact CG2-CZ 4.29Å; V106-I310 HydrophobicContact CG2-CG2 4.44Å; V106-W312 HydrophobicContact CG2-CH2 3.9Å; V106-W312 HydrophobicContact CG2-CZ2 3.64Å
107	C	98.7	Very high	96.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	159.4	162.1	-64.1	0	0	0	0	109.9	A41 I42 L44 M54 F90 Q91	A41-C107 CarbonylContact C-O 3.56Å; A41-C107 WeakPolarHBondContact CA-O 3.34Å; I42-C107 HydrophobicContact CB-CB 4.45Å; I42-C107 PolarHBondContact N-O 3.25Å; I42-C107 PolarHBondContact O-N 2.98Å; L44-C107 HydrophobicContact CD1-CB 4.01Å; L44-C107 VanDerWaalsContact CD1-SG 3.53Å; M54-C107 WeakPolarHBondContact CE-SG 3.49Å; F90-C107 HydrophobicContact CE2-CB 3.99Å; F90-C107 HydrophobicContact CZ-CB 3.86Å; Q91-C107 CarbonylContact O-C 3.58Å; Q91-C107 WeakPolarHBondContact O-CA 3.32Å; Q91-C107 WeakPolarHBondContact O-CB 3.29Å
108	S	98.7	Very high	97	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.007	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	139.8	171.9	59.5	0	0	0	0	110.6	N40 F90 Q91 S143	N40-S108 WeakPolarHBondContact O-CA 3.23Å; F90-S108 CarbonylContact C-O 3.55Å; F90-S108 WeakPolarHBondContact CA-O 3.45Å; Q91-S108 PolarHBondContact N-O 3.19Å; Q91-S108 PolarHBondContact O-N 3.18Å; S108-S143 PolarHBondContact N-OG 2.89Å; S108-S143 PolarHBondContact OG-N 3.35Å; S108-S143 PolarHBondContact OG-OG 2.9Å
109	M	98.6	Very high	97.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	166.7	176.9	64.2	-177.4	-64.1	0	0	111.4	N39 N40 I42 L71 L77 V88 F90 L111	N39-M109 PolarHBondContact OD1-O 3.46Å; N40-M109 PolarHBondContact N-O 3.02Å; N40-M109 PolarHBondContact O-N 2.96Å; N40-M109 VanDerWaalsContact O-N 3.07Å; I42-M109 HydrophobicContact CD1-CG 3.96Å; I42-M109 HydrophobicContact CD1-SD 3.8Å; L71-M109 HydrophobicContact CD1-CE 4.09Å; L71-M109 HydrophobicContact CD1-SD 3.51Å; L71-M109 VanDerWaalsContact CD1-SD 3.51Å; L71-M109 HydrophobicContact CD2-CE 4.45Å; L71-M109 HydrophobicContact CD2-SD 3.97Å; L71-M109 HydrophobicContact CG-SD 4.41Å; L77-M109 HydrophobicContact CD2-CE 3.81Å; V88-M109 HydrophobicContact CB-CE 4.04Å; V88-M109 HydrophobicContact CG2-CB 4.45Å; V88-M109 HydrophobicContact CG2-CE 3.58Å; V88-M109 CarbonylContact O-C 3.49Å; V88-M109 WeakPolarHBondContact O-CA 3.24Å; V88-M109 WeakPolarHBondContact O-CB 3.48Å; F90-M109 HydrophobicContact CB-CB 4.39Å; F90-M109 HydrophobicContact CD2-CB 4.13Å; F90-M109 HydrophobicContact CD2-CG 4.44Å; F90-M109 HydrophobicContact CD2-SD 3.82Å; F90-M109 HydrophobicContact CE2-SD 4.28Å; M109-L111 HydrophobicContact CE-CD2 3.72Å; M109-L111 HydrophobicContact CG-CD2 3.66Å; M109-L111 HydrophobicContact CG-CG 3.89Å; M109-L111 PolarHBondContact O-N 2.81Å; M109-L111 HydrophobicContact SD-CD2 3.55Å; M109-L111 VanDerWaalsContact SD-CD2 3.55Å; M109-L111 HydrophobicContact SD-CG 4.43Å
110	Q	98.4	Very high	97.6	Very high	62 Å²	62	36.8 Å²	36.8	29%	0.29	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	107.8	171.7	-67.6	-173.3	-0.3	0	0	111.4	R37 R38 V88 H89	R37-Q110 HydrophobicContact CB-CB 3.98Å; R37-Q110 PolarHBondContact NH1-O 2.97Å; R38-Q110 CarbonylContact O-C 3.52Å; R38-Q110 VanDerWaalsContact O-CA 3.26Å; R38-Q110 WeakPolarHBondContact O-CA 3.11Å; V88-Q110 HydrophobicContact CB-CB 4.47Å; V88-Q110 PolarHBondContact O-N 3.04Å; H89-Q110 PolarHBondContact CD2-NE2 2.79Å; H89-Q110 VanDerWaalsContact CD2-NE2 3.26Å
111	L	98.1	Very high	97.7	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.01	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	148	178.2	-60	172.8	0	0	0	111.2	R37 R38 N40 I42 L71 Q76 M109 L117 I134	R37-L111 CarbonylContact C-O 3.5Å; R37-L111 WeakPolarHBondContact CA-O 3.47Å; R37-L111 WeakPolarHBondContact CB-O 3.34Å; R38-L111 PolarHBondContact N-O 3.49Å; R38-L111 PolarHBondContact O-N 3.36Å; N40-L111 HydrophobicContact CB-CD1 3.73Å; N40-L111 HydrophobicContact CB-CG 4.31Å; I42-L111 HydrophobicContact CD1-CD1 4.2Å; I42-L111 HydrophobicContact CG1-CD1 4.28Å; L71-L111 HydrophobicContact CD2-CD2 3.89Å; Q76-L111 HydrophobicContact CB-CD2 4.1Å; Q76-L111 HydrophobicContact CG-CD2 4.11Å; M109-L111 HydrophobicContact CE-CD2 3.72Å; M109-L111 HydrophobicContact CG-CD2 3.66Å; M109-L111 HydrophobicContact CG-CG 3.89Å; M109-L111 PolarHBondContact O-N 2.81Å; M109-L111 HydrophobicContact SD-CD2 3.55Å; M109-L111 VanDerWaalsContact SD-CD2 3.55Å; M109-L111 HydrophobicContact SD-CG 4.43Å; L111-L117 HydrophobicContact CB-CD2 4.48Å; L111-L117 HydrophobicContact CD1-CD2 3.83Å; L111-L117 HydrophobicContact CD2-CD2 4.38Å; L111-L117 HydrophobicContact CG-CD2 4.46Å; L111-I134 HydrophobicContact CD1-CG2 3.66Å
112	K	96.9	Very high	97.7	Very high	48 Å²	48	38.1 Å²	38.1	21%	0.209	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	150.2	164	-57.7	173	-173.1	169.9	0	108	P35 R37 G75 D78 D114	P35-K112 HydrophobicContact CB-CD 4.43Å; P35-K112 HydrophobicContact CB-CG 4.37Å; P35-K112 HydrophobicContact CG-CD 3.78Å; P35-K112 HydrophobicContact CG-CG 4.09Å; R37-K112 HydrophobicContact CG-CG 4.15Å; G75-K112 WeakPolarHBondContact O-CD 3.49Å; G75-K112 WeakPolarHBondContact O-CE 3.05Å; G75-K112 PolarHBondContact O-NZ 2.7Å; D78-K112 IonicContact OD1-NZ 2.8Å; K112-D114 PolarHBondContact O-N 3.26Å
113	E	94.3	Very high	97.7	Very high	167 Å²	167	44.5 Å²	44.5	78%	0.78	23%	0.234	S	C	*	.	P	Polyproline II helix	trans	-68	122.2	175.1	-169	161.6	-170.5	0	0	110.1
114	D	95.3	Very high	97.7	Very high	45 Å²	45	46.5 Å²	46.5	24%	0.241	25%	0.248	C	C	.	.			trans	-157.4	109.6	179.4	179.6	-7.9	0	0	0	107.7	K112 D116 L117 K120	K112-D114 PolarHBondContact O-N 3.26Å; D114-D116 PolarHBondContact O-N 2.7Å; D114-D116 PolarHBondContact OD1-N 3.46Å; D114-D116 VanDerWaalsContact OD1-N 3.08Å; D114-L117 HydrophobicContact CB-CB 4Å; D114-L117 WeakPolarHBondContact O-CB 3.49Å; D114-L117 PolarHBondContact O-N 3.26Å; D114-L117 PolarHBondContact OD1-N 2.83Å; D114-K120 IonicContact OD1-NZ 2.72Å; D114-K120 PolarHBondContact OD1-NZ 3.21Å; D114-K120 IonicContact OD2-NZ 3.57Å; D114-K120 PolarHBondContact OD2-NZ 2.81Å
115	T	93.2	Very high	97.7	Very high	129 Å²	129	47.2 Å²	47.2	79%	0.791	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-24.7	-175	50.7	0	0	0	0	112.9
116	D	96.8	Very high	97.7	Very high	94 Å²	94	49.2 Å²	49.2	50%	0.503	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	5.9	-177.1	-57.7	-31.3	0	0	0	112.2	D114 L118 S119 K120	D114-D116 PolarHBondContact O-N 2.7Å; D114-D116 PolarHBondContact OD1-N 3.46Å; D114-D116 VanDerWaalsContact OD1-N 3.08Å; D116-L118 VanDerWaalsContact C-N 3.28Å; D116-L118 PolarHBondContact O-N 3.38Å; D116-S119 PolarHBondContact O-N 3.21Å; D116-S119 VanDerWaalsContact O-N 3.12Å; D116-K120 HydrophobicContact CB-CD 4.31Å; D116-K120 HydrophobicContact CB-CG 4.49Å; D116-K120 WeakPolarHBondContact O-CG 3.39Å; D116-K120 PolarHBondContact O-N 2.98Å
117	L	98.2	Very high	97.6	Very high	5 Å²	5	55.8 Å²	55.8	3%	0.026	30%	0.296	C	S	.	.	H	α-helix	trans	-57.9	-38.6	-172.3	-177.2	58.8	0	0	0	113	C74 Q76 L111 D114 S119 K120 L121 I134	C74-L117 HydrophobicContact CB-CD1 3.78Å; Q76-L117 HydrophobicContact CG-CD1 3.67Å; Q76-L117 HydrophobicContact CG-CD2 4.01Å; L111-L117 HydrophobicContact CB-CD2 4.48Å; L111-L117 HydrophobicContact CD1-CD2 3.83Å; L111-L117 HydrophobicContact CD2-CD2 4.38Å; L111-L117 HydrophobicContact CG-CD2 4.46Å; D114-L117 HydrophobicContact CB-CB 4Å; D114-L117 WeakPolarHBondContact O-CB 3.49Å; D114-L117 PolarHBondContact O-N 3.26Å; D114-L117 PolarHBondContact OD1-N 2.83Å; L117-S119 PolarHBondContact O-N 3.18Å; L117-K120 PolarHBondContact O-N 3.11Å; L117-L121 HydrophobicContact CD1-CD1 4.1Å; L117-L121 HydrophobicContact CD1-CD2 4.48Å; L117-L121 HydrophobicContact CD1-CG 3.91Å; L117-L121 HydrophobicContact CG-CD1 3.92Å; L117-L121 HydrophobicContact CG-CG 4.21Å; L117-L121 WeakPolarHBondContact O-CB 3.37Å; L117-L121 VanDerWaalsContact O-CG 3.31Å; L117-L121 WeakPolarHBondContact O-CG 3.46Å; L117-L121 PolarHBondContact O-N 3.34Å; L117-I134 HydrophobicContact CB-CD1 4.11Å; L117-I134 HydrophobicContact CD2-CD1 3.87Å; L117-I134 HydrophobicContact CG-CD1 3.75Å
118	L	98.5	Very high	97.6	Very high	57 Å²	57	57.4 Å²	57.4	30%	0.298	31%	0.305	S	S	.	.	H	α-helix	trans	-58.9	-47	178	177.8	61.6	0	0	0	111.7	D116 N122 V131 I134	D116-L118 VanDerWaalsContact C-N 3.28Å; D116-L118 PolarHBondContact O-N 3.38Å; L118-N122 PolarHBondContact O-N 3.1Å; L118-N122 VanDerWaalsContact O-N 3.16Å; L118-N122 PolarHBondContact O-ND2 2.83Å; L118-V131 HydrophobicContact CD1-CB 3.77Å; L118-V131 HydrophobicContact CD1-CG1 3.53Å; L118-V131 WeakPolarHBondContact CD1-O 3.5Å; L118-I134 HydrophobicContact CB-CD1 4.25Å; L118-I134 HydrophobicContact CD1-CG1 4.4Å
119	S	98.4	Very high	97.5	Very high	67 Å²	67	57.4 Å²	57.4	47%	0.469	30%	0.304	S	S	.	.	H	α-helix	trans	-66.3	-47.4	177.9	-179.6	0	0	0	0	111	D116 L117 L121 N122 N123	D116-S119 PolarHBondContact O-N 3.21Å; D116-S119 VanDerWaalsContact O-N 3.12Å; L117-S119 PolarHBondContact O-N 3.18Å; S119-L121 VanDerWaalsContact C-N 3.32Å; S119-L121 PolarHBondContact O-N 2.98Å; S119-N122 PolarHBondContact O-N 2.74Å; S119-N123 WeakPolarHBondContact O-CB 3.36Å; S119-N123 VanDerWaalsContact O-CG 3.24Å; S119-N123 PolarHBondContact O-N 3Å; S119-N123 PolarHBondContact O-ND2 2.99Å
120	K	98.6	Very high	97.6	Very high	83 Å²	83	61.9 Å²	61.9	36%	0.361	32%	0.321	S	S	.	.	H	α-helix	trans	-58.2	-42	178	-68.6	169.2	-179.9	160.9	0	112.5	D114 D116 L117 N123 S124	D114-K120 IonicContact OD1-NZ 2.72Å; D114-K120 PolarHBondContact OD1-NZ 3.21Å; D114-K120 IonicContact OD2-NZ 3.57Å; D114-K120 PolarHBondContact OD2-NZ 2.81Å; D116-K120 HydrophobicContact CB-CD 4.31Å; D116-K120 HydrophobicContact CB-CG 4.49Å; D116-K120 WeakPolarHBondContact O-CG 3.39Å; D116-K120 PolarHBondContact O-N 2.98Å; L117-K120 PolarHBondContact O-N 3.11Å; K120-N123 PolarHBondContact O-N 2.98Å; K120-S124 WeakPolarHBondContact O-CB 3.47Å; K120-S124 PolarHBondContact O-N 2.83Å; K120-S124 VanDerWaalsContact O-N 3.11Å
121	L	98.7	Very high	97.6	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-64.7	-49.6	177.5	-76.7	173.7	0	0	0	111.3	A70 L71 C74 L117 S119 N123 S124 L125 V131 I134	A70-L121 HydrophobicContact CB-CD2 3.89Å; L71-L121 HydrophobicContact CD2-CD1 4.27Å; L71-L121 HydrophobicContact CD2-CD2 3.95Å; L71-L121 HydrophobicContact CG-CD2 4.07Å; C74-L121 HydrophobicContact CB-CD2 4.46Å; L117-L121 HydrophobicContact CD1-CD1 4.1Å; L117-L121 HydrophobicContact CD1-CD2 4.48Å; L117-L121 HydrophobicContact CD1-CG 3.91Å; L117-L121 HydrophobicContact CG-CD1 3.92Å; L117-L121 HydrophobicContact CG-CG 4.21Å; L117-L121 WeakPolarHBondContact O-CB 3.37Å; L117-L121 VanDerWaalsContact O-CG 3.31Å; L117-L121 WeakPolarHBondContact O-CG 3.46Å; L117-L121 PolarHBondContact O-N 3.34Å; S119-L121 VanDerWaalsContact C-N 3.32Å; S119-L121 PolarHBondContact O-N 2.98Å; L121-N123 VanDerWaalsContact C-N 3.26Å; L121-N123 PolarHBondContact O-N 2.92Å; L121-S124 CarbonylContact O-C 3.52Å; L121-S124 PolarHBondContact O-N 3.37Å; L121-L125 HydrophobicContact CB-CD1 4.43Å; L121-L125 WeakPolarHBondContact O-CB 3.42Å; L121-L125 WeakPolarHBondContact O-CD1 3.46Å; L121-L125 VanDerWaalsContact O-CG 3.23Å; L121-L125 WeakPolarHBondContact O-CG 3.45Å; L121-L125 PolarHBondContact O-N 3.17Å; L121-V131 HydrophobicContact CB-CG2 4.03Å; L121-V131 HydrophobicContact CD1-CG2 4.26Å; L121-I134 HydrophobicContact CD1-CD1 3.86Å
122	N	98.7	Very high	97.6	Very high	39 Å²	39	59.7 Å²	59.7	21%	0.209	31%	0.312	C	S	.	.	H	α-helix	trans	-63	-32.3	178.7	-79	-46.6	0	0	0	112.7	L118 S119 S124 R130 V131	L118-N122 PolarHBondContact O-N 3.1Å; L118-N122 VanDerWaalsContact O-N 3.16Å; L118-N122 PolarHBondContact O-ND2 2.83Å; S119-N122 PolarHBondContact O-N 2.74Å; N122-S124 VanDerWaalsContact C-N 3.32Å; N122-R130 WeakPolarHBondContact OD1-CA 3.4Å; N122-V131 PolarHBondContact ND2-O 3.12Å; N122-V131 PolarHBondContact OD1-N 2.86Å; N122-V131 PolarHBondContact OD1-O 3.14Å
123	N	98.4	Very high	97.7	Very high	134 Å²	134	58.8 Å²	58.8	72%	0.717	31%	0.309	S	S	*	.	H	α-helix	trans	-71.6	-24.7	174	-68.4	-22.3	0	0	0	113.4	S119 K120 L121	S119-N123 WeakPolarHBondContact O-CB 3.36Å; S119-N123 VanDerWaalsContact O-CG 3.24Å; S119-N123 PolarHBondContact O-N 3Å; S119-N123 PolarHBondContact O-ND2 2.99Å; K120-N123 PolarHBondContact O-N 2.98Å; L121-N123 VanDerWaalsContact C-N 3.26Å; L121-N123 PolarHBondContact O-N 2.92Å
124	S	98.2	Very high	97.8	Very high	44 Å²	44	52.4 Å²	52.4	31%	0.308	28%	0.28	S	S	.	.	H	α-helix	trans	-95.2	-13.9	178.7	-174.3	0	0	0	0	113.2	K120 L121 N122	K120-S124 WeakPolarHBondContact O-CB 3.47Å; K120-S124 PolarHBondContact O-N 2.83Å; K120-S124 VanDerWaalsContact O-N 3.11Å; L121-S124 CarbonylContact O-C 3.52Å; L121-S124 PolarHBondContact O-N 3.37Å; N122-S124 VanDerWaalsContact C-N 3.32Å
125	L	98.6	Very high	97.9	Very high	14 Å²	14	50.5 Å²	50.5	7%	0.073	27%	0.27	C	S	.	.	S	Bend	trans	-90.8	148.5	-179.7	-76.2	165.9	0	0	0	111	E66 A70 L121 I129 V131	E66-L125 HydrophobicContact CB-CD2 4.45Å; A70-L125 HydrophobicContact CB-CD2 3.74Å; A70-L125 HydrophobicContact CB-CG 3.78Å; L121-L125 HydrophobicContact CB-CD1 4.43Å; L121-L125 WeakPolarHBondContact O-CB 3.42Å; L121-L125 WeakPolarHBondContact O-CD1 3.46Å; L121-L125 VanDerWaalsContact O-CG 3.23Å; L121-L125 WeakPolarHBondContact O-CG 3.45Å; L121-L125 PolarHBondContact O-N 3.17Å; L125-I129 WeakPolarHBondContact CB-O 3.4Å; L125-I129 HydrophobicContact CD1-CG2 4.3Å; L125-I129 HydrophobicContact CD2-CB 4.42Å; L125-I129 HydrophobicContact CD2-CG2 4.02Å; L125-V131 HydrophobicContact CD1-CG2 3.61Å
126	P	97.8	Very high	98	Very high	42 Å²	42	50.1 Å²	50.1	27%	0.273	25%	0.254	S	S	.	.			trans	-56	147	165.3	-24.4	35.7	0	0	0	111.6	N128 I129	P126-N128 WeakPolarHBondContact CB-OD1 3.36Å; P126-N128 PolarHBondContact O-N 2.75Å; P126-I129 CarbonylContact O-C 3.49Å; P126-I129 PolarHBondContact O-N 3.23Å
127	E	97	Very high	98.1	Very high	138 Å²	138	45.8 Å²	45.8	65%	0.645	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-26.8	-174.4	-63.1	-176.9	165.5	0	0	114.3	I129 R130 Y326	E127-I129 PolarHBondContact O-N 3.24Å; E127-R130 WeakPolarHBondContact O-CD 3.45Å; E127-R130 WeakPolarHBondContact O-CG 3.29Å; E127-Y326 HydrophobicContact CB-CE1 4.44Å
128	N	97.4	Very high	98	Very high	35 Å²	35	46.4 Å²	46.4	19%	0.187	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	10.2	176.4	66.4	-35.8	0	0	0	113.8	Y46 S47 Y51 P126 F322 Y326	Y46-N128 CarbonylContact C-O 3.6Å; Y46-N128 WeakPolarHBondContact CA-O 3.44Å; S47-N128 PolarHBondContact N-O 3.31Å; Y51-N128 WeakPolarHBondContact CE2-ND2 3.39Å; P126-N128 WeakPolarHBondContact CB-OD1 3.36Å; P126-N128 PolarHBondContact O-N 2.75Å; N128-F322 WeakPolarHBondContact O-CZ 3.28Å; N128-Y326 HydrophobicContact CB-CD1 3.87Å; N128-Y326 HydrophobicContact CB-CE1 4.21Å
129	I	98.6	Very high	97.9	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	115.5	168.8	-55.1	178.1	0	0	0	107.9	Y51 I63 E66 L125 P126 E127	Y51-I129 HydrophobicContact CE1-CD1 4.24Å; Y51-I129 HydrophobicContact CE2-CD1 4.2Å; Y51-I129 HydrophobicContact CE2-CG1 4.49Å; I63-I129 HydrophobicContact CD1-CD1 3.89Å; I63-I129 HydrophobicContact CD1-CG1 4.24Å; I63-I129 HydrophobicContact CG2-CD1 4.44Å; I63-I129 HydrophobicContact CG2-CG2 4.43Å; E66-I129 HydrophobicContact CB-CD1 3.7Å; E66-I129 HydrophobicContact CG-CD1 3.97Å; L125-I129 WeakPolarHBondContact CB-O 3.4Å; L125-I129 HydrophobicContact CD1-CG2 4.3Å; L125-I129 HydrophobicContact CD2-CB 4.42Å; L125-I129 HydrophobicContact CD2-CG2 4.02Å; P126-I129 CarbonylContact O-C 3.49Å; P126-I129 PolarHBondContact O-N 3.23Å; E127-I129 PolarHBondContact O-N 3.24Å
130	R	98.7	Very high	97.7	Very high	94 Å²	94	54.5 Å²	54.5	36%	0.355	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	137.3	-175.6	-59.4	-65.6	-88.6	-90.7	0.5	111.8	L44 M45 N122 E127 F322	L44-R130 WeakPolarHBondContact CA-O 3.38Å; M45-R130 HydrophobicContact CE-CB 3.74Å; M45-R130 HydrophobicContact CE-CG 4.19Å; M45-R130 HydrophobicContact CG-CB 4Å; M45-R130 PolarHBondContact N-O 3.41Å; M45-R130 PolarHBondContact O-N 3.21Å; N122-R130 WeakPolarHBondContact OD1-CA 3.4Å; E127-R130 WeakPolarHBondContact O-CD 3.45Å; E127-R130 WeakPolarHBondContact O-CG 3.29Å; R130-F322 HydrophobicContact CG-CD2 4.21Å; R130-F322 HydrophobicContact CG-CE2 3.95Å
131	V	98.8	Very high	97.7	Very high	4 Å²	4	50.9 Å²	50.9	2%	0.024	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	121.6	167.7	-169.9	0	0	0	0	107.7	I42 L43 L44 L118 L121 N122 L125 I134	I42-V131 HydrophobicContact CG2-CG1 3.61Å; I42-V131 HydrophobicContact CG2-CG2 4.35Å; L43-V131 CarbonylContact O-C 3.58Å; L43-V131 WeakPolarHBondContact O-CA 3.48Å; L44-V131 HydrophobicContact CD2-CB 4.36Å; L44-V131 HydrophobicContact CD2-CG2 3.73Å; L118-V131 HydrophobicContact CD1-CB 3.77Å; L118-V131 HydrophobicContact CD1-CG1 3.53Å; L118-V131 WeakPolarHBondContact CD1-O 3.5Å; L121-V131 HydrophobicContact CB-CG2 4.03Å; L121-V131 HydrophobicContact CD1-CG2 4.26Å; N122-V131 PolarHBondContact ND2-O 3.12Å; N122-V131 PolarHBondContact OD1-N 2.86Å; N122-V131 PolarHBondContact OD1-O 3.14Å; L125-V131 HydrophobicContact CD1-CG2 3.61Å; V131-I134 HydrophobicContact CG1-CG1 4.03Å
132	L	98.4	Very high	97.7	Very high	15 Å²	15	52 Å²	52	8%	0.079	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-39.5	178.7	-72	169.2	0	0	0	111.8	L43 M45 W312 Y315 Q318 R319	L43-L132 HydrophobicContact CB-CB 4.3Å; L43-L132 PolarHBondContact O-N 2.67Å; M45-L132 HydrophobicContact CE-CD2 3.63Å; M45-L132 HydrophobicContact CE-CG 4.27Å; M45-L132 HydrophobicContact CG-CD1 4.35Å; M45-L132 HydrophobicContact CG-CG 4.38Å; M45-L132 HydrophobicContact SD-CD1 3.98Å; M45-L132 HydrophobicContact SD-CD2 3.94Å; M45-L132 HydrophobicContact SD-CG 4.13Å; L132-W312 HydrophobicContact CD1-CZ3 4.06Å; L132-Y315 HydrophobicContact CB-CD1 4.05Å; L132-Y315 HydrophobicContact CB-CE1 4.45Å; L132-Y315 HydrophobicContact CB-CG 4.22Å; L132-Y315 HydrophobicContact CD1-CG 4.34Å; L132-Q318 HydrophobicContact CD2-CB 3.91Å; L132-R319 HydrophobicContact CD1-CG 3.85Å
133	D	98.2	Very high	97.7	Very high	28 Å²	28	50.1 Å²	50.1	15%	0.15	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	161.7	179.3	-143	-38.9	0	0	0	111.5	L43 I135 K314 Y315	L43-D133 HydrophobicContact CD2-CB 4.44Å; L43-D133 PolarHBondContact N-O 3.22Å; D133-I135 HydrophobicContact CB-CG1 4.26Å; D133-K314 IonicContact OD2-NZ 2.8Å; D133-K314 PolarHBondContact OD2-NZ 3.04Å; D133-K314 VanDerWaalsContact OD2-NZ 3.08Å; D133-Y315 HydrophobicContact CB-CE1 3.8Å; D133-Y315 WeakPolarHBondContact CB-OH 3.48Å; D133-Y315 WeakPolarHBondContact OD2-CE1 3.41Å; D133-Y315 PolarHBondContact OD2-OH 2.97Å
134	I	98.2	Very high	97.6	Very high	33 Å²	33	50.3 Å²	50.3	17%	0.169	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	102.3	174.3	-55.1	174.7	0	0	0	107.5	N40 A41 L111 L117 L118 L121 V131	N40-I134 HydrophobicContact CB-CG2 3.83Å; A41-I134 CarbonylContact O-C 3.5Å; A41-I134 WeakPolarHBondContact O-CA 3.31Å; L111-I134 HydrophobicContact CD1-CG2 3.66Å; L117-I134 HydrophobicContact CB-CD1 4.11Å; L117-I134 HydrophobicContact CD2-CD1 3.87Å; L117-I134 HydrophobicContact CG-CD1 3.75Å; L118-I134 HydrophobicContact CB-CD1 4.25Å; L118-I134 HydrophobicContact CD1-CG1 4.4Å; L121-I134 HydrophobicContact CD1-CD1 3.86Å; V131-I134 HydrophobicContact CG1-CG1 4.03Å
135	I	96.5	Very high	97.5	Very high	6 Å²	6	52.4 Å²	52.4	3%	0.031	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	125.7	-171.6	-57.4	175.7	0	0	0	109.3	N40 A41 L43 D133 V137 Q308 I310	N40-I135 CarbonylContact C-O 3.26Å; N40-I135 VanDerWaalsContact CA-O 3.25Å; N40-I135 WeakPolarHBondContact CA-O 3.33Å; A41-I135 PolarHBondContact N-O 3.1Å; A41-I135 PolarHBondContact O-N 2.98Å; L43-I135 HydrophobicContact CD1-CD1 3.95Å; L43-I135 HydrophobicContact CD1-CG1 4.29Å; L43-I135 HydrophobicContact CD2-CD1 4.05Å; D133-I135 HydrophobicContact CB-CG1 4.26Å; I135-V137 PolarHBondContact O-N 3.13Å; I135-Q308 HydrophobicContact CG2-CB 4.09Å; I135-I310 HydrophobicContact CD1-CG1 4.48Å
136	R	96.3	Very high	97.4	Very high	120 Å²	120	53 Å²	53	45%	0.453	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	129	172.2	-179	175.6	167.4	-172.2	-10.8	110.5	N40	N40-R136 VanDerWaalsContact OD1-CA 3.28Å; N40-R136 WeakPolarHBondContact OD1-CA 3.44Å; N40-R136 PolarHBondContact OD1-N 3.29Å
137	V	97.7	Very high	97.5	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.024	26%	0.257	C	S	.	.			trans	-121.6	168.7	-178.5	-67.3	0	0	0	0	111.4	N39 A41 I135 F141 Y297 I310	N39-V137 HydrophobicContact CB-CG2 3.99Å; N39-V137 WeakPolarHBondContact O-CG2 3.27Å; N39-V137 PolarHBondContact O-N 3.12Å; A41-V137 HydrophobicContact CB-CG1 3.78Å; I135-V137 PolarHBondContact O-N 3.13Å; V137-F141 HydrophobicContact CB-CB 3.74Å; V137-F141 HydrophobicContact CB-CD1 3.99Å; V137-F141 HydrophobicContact CB-CD2 4.42Å; V137-F141 HydrophobicContact CB-CG 3.81Å; V137-F141 HydrophobicContact CG1-CD1 4.07Å; V137-F141 HydrophobicContact CG1-CD2 4.42Å; V137-F141 HydrophobicContact CG1-CE1 4.29Å; V137-F141 HydrophobicContact CG1-CG 4.11Å; V137-F141 HydrophobicContact CG2-CB 3.65Å; V137-F141 HydrophobicContact CG2-CD1 3.58Å; V137-F141 HydrophobicContact CG2-CE1 4.41Å; V137-F141 HydrophobicContact CG2-CG 3.79Å; V137-Y297 WeakPolarHBondContact CA-OH 3.27Å; V137-Y297 WeakPolarHBondContact CB-OH 3.44Å; V137-Y297 HydrophobicContact CG1-CE1 4.38Å; V137-I310 HydrophobicContact CG1-CD1 4.05Å
138	T	96.9	Very high	97.5	Very high	17 Å²	17	46.2 Å²	46.2	10%	0.104	23%	0.234	C	C	.	.			trans	-58.5	156	176.1	69.9	0	0	0	0	111.4	N39 G140 F141 Y297 Y301 H307	N39-T138 PolarHBondContact ND2-O 3.09Å; T138-G140 PolarHBondContact O-N 2.99Å; T138-G140 VanDerWaalsContact O-N 3.15Å; T138-F141 WeakPolarHBondContact O-CB 3.46Å; T138-F141 PolarHBondContact O-N 3.33Å; T138-F141 VanDerWaalsContact O-N 3.1Å; T138-F141 PolarHBondContact OG1-N 3.4Å; T138-Y297 HydrophobicContact CG2-CE2 4.02Å; T138-Y297 PolarHBondContact N-OH 2.89Å; T138-Y297 VanDerWaalsContact N-OH 3.14Å; T138-Y301 HydrophobicContact CG2-CD1 3.53Å; T138-Y301 HydrophobicContact CG2-CD2 3.98Å; T138-Y301 HydrophobicContact CG2-CE1 3.65Å; T138-Y301 HydrophobicContact CG2-CE2 4.07Å; T138-Y301 HydrophobicContact CG2-CG 3.71Å; T138-H307 PolarHBondContact N-CD2 2.86Å; T138-H307 PolarHBondContact N-NE2 2.98Å
139	R	95.6	Very high	97.5	Very high	224 Å²	224	46.2 Å²	46.2	85%	0.845	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-31.3	178.9	-65.1	-172.5	-174.5	-167.7	5.1	113.4
140	G	95.6	Very high	97.5	Very high	70 Å²	70	47.2 Å²	47.2	72%	0.722	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-1.1	-179.1	0	0	0	0	0	114.8	T138 S142	T138-G140 PolarHBondContact O-N 2.99Å; T138-G140 VanDerWaalsContact O-N 3.15Å; G140-S142 PolarHBondContact O-N 3.02Å
141	F	98	Very high	97.5	Very high	8 Å²	8	43.8 Å²	43.8	4%	0.035	23%	0.225	C	C	.	.			trans	-64.9	132	178.4	179.6	-92.9	0	0	0	111.2	N39 A41 V137 T138 S146 F294 Y297 I310	N39-F141 PolarHBondContact ND2-O 2.9Å; A41-F141 HydrophobicContact CB-CE1 4.02Å; A41-F141 HydrophobicContact CB-CZ 4.43Å; V137-F141 HydrophobicContact CB-CB 3.74Å; V137-F141 HydrophobicContact CB-CD1 3.99Å; V137-F141 HydrophobicContact CB-CD2 4.42Å; V137-F141 HydrophobicContact CB-CG 3.81Å; V137-F141 HydrophobicContact CG1-CD1 4.07Å; V137-F141 HydrophobicContact CG1-CD2 4.42Å; V137-F141 HydrophobicContact CG1-CE1 4.29Å; V137-F141 HydrophobicContact CG1-CG 4.11Å; V137-F141 HydrophobicContact CG2-CB 3.65Å; V137-F141 HydrophobicContact CG2-CD1 3.58Å; V137-F141 HydrophobicContact CG2-CE1 4.41Å; V137-F141 HydrophobicContact CG2-CG 3.79Å; T138-F141 WeakPolarHBondContact O-CB 3.46Å; T138-F141 PolarHBondContact O-N 3.33Å; T138-F141 VanDerWaalsContact O-N 3.1Å; T138-F141 PolarHBondContact OG1-N 3.4Å; F141-S146 WeakPolarHBondContact CD2-OG 3.46Å; F141-F294 AromaticContact CE2-CD1 3.67Å; F141-F294 HydrophobicContact CE2-CD1 3.67Å; F141-F294 AromaticContact CE2-CE1 3.78Å; F141-F294 HydrophobicContact CE2-CE1 3.78Å; F141-F294 HydrophobicContact CE2-CG 4.49Å; F141-F294 AromaticContact CZ-CD1 3.79Å; F141-F294 HydrophobicContact CZ-CD1 3.79Å; F141-F294 AromaticContact CZ-CE1 3.48Å; F141-F294 HydrophobicContact CZ-CE1 3.48Å; F141-F294 VanDerWaalsContact CZ-CE1 3.48Å; F141-F294 AromaticContact CZ-CZ 3.99Å; F141-F294 HydrophobicContact CZ-CZ 3.99Å; F141-Y297 HydrophobicContact CB-CE2 4.2Å; F141-Y297 HydrophobicContact CD2-CD1 4.38Å; F141-Y297 AromaticContact CD2-CD2 3.51Å; F141-Y297 HydrophobicContact CD2-CD2 3.51Å; F141-Y297 HydrophobicContact CD2-CE1 4.38Å; F141-Y297 AromaticContact CD2-CE2 3.48Å; F141-Y297 HydrophobicContact CD2-CE2 3.48Å; F141-Y297 VanDerWaalsContact CD2-CE2 3.48Å; F141-Y297 AromaticContact CD2-CG 3.98Å; F141-Y297 HydrophobicContact CD2-CG 3.98Å; F141-Y297 AromaticContact CD2-CZ 3.95Å; F141-Y297 HydrophobicContact CE2-CD1 4.23Å; F141-Y297 HydrophobicContact CE2-CD2 4.02Å; F141-Y297 HydrophobicContact CE2-CE1 4.47Å; F141-Y297 HydrophobicContact CE2-CE2 4.26Å; F141-Y297 HydrophobicContact CE2-CG 4Å; F141-Y297 HydrophobicContact CG-CE2 4.24Å; F141-I310 HydrophobicContact CE1-CD1 4.31Å; F141-I310 HydrophobicContact CE2-CD1 3.69Å; F141-I310 HydrophobicContact CZ-CD1 3.46Å; F141-I310 VanDerWaalsContact CZ-CD1 3.46Å
142	S	98.1	Very high	97.5	Very high	22 Å²	22	44.3 Å²	44.3	15%	0.154	23%	0.227	C	C	.	.			trans	-128	129.9	163.8	161.9	0	0	0	0	108.2	G140 Y144 S145 S146	G140-S142 PolarHBondContact O-N 3.02Å; S142-Y144 PolarHBondContact O-N 2.81Å; S142-Y144 PolarHBondContact OG-N 2.93Å; S142-S145 WeakPolarHBondContact CB-OG 3.4Å; S142-S145 PolarHBondContact O-N 3.04Å; S142-S146 PolarHBondContact N-OG 3.36Å; S142-S146 WeakPolarHBondContact O-CB 3.49Å; S142-S146 PolarHBondContact O-N 3.21Å; S142-S146 PolarHBondContact O-OG 3.07Å
143	S	98	Very high	97.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-29.5	177.7	59.4	0	0	0	0	112	Q91 R92 A93 V106 S108 C147	Q91-S143 PolarHBondContact O-OG 3.29Å; R92-S143 VanDerWaalsContact C-OG 3.25Å; R92-S143 VanDerWaalsContact CA-OG 3.23Å; R92-S143 WeakPolarHBondContact CA-OG 3.28Å; R92-S143 PolarHBondContact N-OG 2.89Å; A93-S143 VanDerWaalsContact CA-O 3.26Å; A93-S143 WeakPolarHBondContact CA-O 3.33Å; A93-S143 VanDerWaalsContact CB-O 3.23Å; A93-S143 WeakPolarHBondContact CB-O 3.44Å; A93-S143 PolarHBondContact N-OG 3.38Å; V106-S143 WeakPolarHBondContact O-CB 3.28Å; S108-S143 PolarHBondContact N-OG 2.89Å; S108-S143 PolarHBondContact OG-N 3.35Å; S108-S143 PolarHBondContact OG-OG 2.9Å; S143-C147 VanDerWaalsContact O-CB 3.28Å; S143-C147 WeakPolarHBondContact O-CB 3.33Å
144	Y	97.1	Very high	97.6	Very high	139 Å²	139	42.4 Å²	42.4	55%	0.545	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-56.1	176.6	178.4	-103.4	0	0	0	112.7	S142 R150	S142-Y144 PolarHBondContact O-N 2.81Å; S142-Y144 PolarHBondContact OG-N 2.93Å; Y144-R150 PolarHBondContact O-NH2 3.04Å
145	S	95.9	Very high	97.6	Very high	87 Å²	87	41 Å²	41	61%	0.608	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-22.3	-171.1	63.9	0	0	0	0	113.9	S142	S142-S145 WeakPolarHBondContact CB-OG 3.4Å; S142-S145 PolarHBondContact O-N 3.04Å
146	S	97.6	Very high	97.7	Very high	27 Å²	27	40.7 Å²	40.7	19%	0.189	21%	0.208	C	C	.	.	S	Bend	trans	-89.3	-8.9	179	-38.3	0	0	0	0	112.4	F141 S142 T148 F294	F141-S146 WeakPolarHBondContact CD2-OG 3.46Å; S142-S146 PolarHBondContact N-OG 3.36Å; S142-S146 WeakPolarHBondContact O-CB 3.49Å; S142-S146 PolarHBondContact O-N 3.21Å; S142-S146 PolarHBondContact O-OG 3.07Å; S146-T148 PolarHBondContact O-N 3.09Å; S146-F294 WeakPolarHBondContact O-CD1 3.43Å
147	C	98.2	Very high	97.8	Very high	13 Å²	13	35.1 Å²	35.1	9%	0.088	19%	0.187	C	C	.	.			trans	-68.3	115.9	177	-179.5	0	0	0	0	109.8	A93 S143 H149 D293 F294	A93-C147 HydrophobicContact CB-CB 4.35Å; S143-C147 VanDerWaalsContact O-CB 3.28Å; S143-C147 WeakPolarHBondContact O-CB 3.33Å; C147-H149 PolarHBondContact SG-O 3.21Å; C147-D293 CarbonylContact C-O 3.55Å; C147-D293 WeakPolarHBondContact CA-O 3.45Å; C147-F294 HydrophobicContact CB-CE1 3.98Å; C147-F294 HydrophobicContact CB-CZ 4.24Å
148	T	98	Very high	97.8	Very high	24 Å²	24	35.1 Å²	35.1	15%	0.147	19%	0.187	C	C	.	.			trans	-75.5	-48.4	-176	-61.1	0	0	0	0	111.2	S146 D293 Q296	S146-T148 PolarHBondContact O-N 3.09Å; T148-D293 WeakPolarHBondContact CB-OD1 3.46Å; T148-D293 PolarHBondContact N-O 3.02Å; T148-Q296 HydrophobicContact CG2-CG 3.92Å; T148-Q296 PolarHBondContact OG1-N 3.15Å
149	H	98.2	Very high	97.8	Very high	36 Å²	36	34.4 Å²	34.4	17%	0.167	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	166.7	175.3	68.8	-86.6	0	0	0	111	C147 I218 G240 D293	C147-H149 PolarHBondContact SG-O 3.21Å; H149-I218 HydrophobicContact CB-CD1 3.5Å; H149-G240 WeakPolarHBondContact CA-O 3.28Å; H149-G240 WeakPolarHBondContact CB-O 3.35Å; H149-D293 WeakPolarHBondContact CE1-CB 3.44Å; H149-D293 IonicContact CE1-OD1 2.96Å; H149-D293 PolarHBondContact CE1-OD1 2.84Å; H149-D293 IonicContact CE1-OD2 2.69Å; H149-D293 VanDerWaalsContact ND1-CB 3.29Å; H149-D293 WeakPolarHBondContact ND1-CB 3.47Å; H149-D293 IonicContact ND1-OD1 2.65Å; H149-D293 PolarHBondContact ND1-OD1 2.94Å; H149-D293 VanDerWaalsContact ND1-OD1 3.11Å; H149-D293 PolarHBondContact O-N 3.41Å
150	R	98.5	Very high	98	Very high	20 Å²	20	23.7 Å²	23.7	8%	0.075	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	140	177.2	-67.7	131	-177.2	106.4	2.7	108.6	A93 Y144 Y152 A239 G240 Q241 F243 L289 V292	A93-R150 PolarHBondContact O-NE 2.87Å; A93-R150 PolarHBondContact O-NH2 3.26Å; Y144-R150 PolarHBondContact O-NH2 3.04Å; R150-Y152 HydrophobicContact CB-CD2 4.24Å; R150-Y152 HydrophobicContact CB-CE2 3.94Å; R150-A239 WeakPolarHBondContact O-CA 3.39Å; R150-G240 PolarHBondContact N-O 2.98Å; R150-G240 PolarHBondContact O-N 2.87Å; R150-Q241 PolarHBondContact NH1-O 2.93Å; R150-F243 HydrophobicContact CB-CD2 4.22Å; R150-F243 HydrophobicContact CB-CE2 3.91Å; R150-F243 WeakPolarHBondContact O-CE2 3.26Å; R150-L289 HydrophobicContact CB-CD1 4.3Å; R150-V292 HydrophobicContact CG-CG1 3.8Å
151	I	98.7	Very high	98.1	Very high	23 Å²	23	20.6 Å²	20.6	12%	0.118	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	120.5	173.6	-54.1	-178.6	0	0	0	107.3	R237 A239 N290 Q291	I151-R237 HydrophobicContact CG2-CG 3.65Å; I151-A239 HydrophobicContact CG1-CB 4.1Å; I151-N290 HydrophobicContact CB-CB 4.34Å; I151-N290 HydrophobicContact CG2-CB 4.07Å; I151-N290 WeakPolarHBondContact O-CA 3.32Å; I151-N290 WeakPolarHBondContact O-CB 3.28Å; I151-N290 PolarHBondContact O-N 3.05Å; I151-Q291 HydrophobicContact CB-CG 4.21Å; I151-Q291 HydrophobicContact CD1-CG 3.95Å; I151-Q291 HydrophobicContact CG1-CG 4.29Å; I151-Q291 PolarHBondContact N-O 3.14Å; I151-Q291 PolarHBondContact O-N 3.21Å
152	Y	98.8	Very high	98	Very high	15 Å²	15	20.2 Å²	20.2	6%	0.059	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	140.4	172.9	-80.3	-99.4	0	0	0	109.8	S94 K95 R150 R237 I238 F243 I248 L287 M288 L289	S94-Y152 PolarHBondContact OG-OH 2.94Å; K95-Y152 PolarHBondContact O-OH 3.47Å; R150-Y152 HydrophobicContact CB-CD2 4.24Å; R150-Y152 HydrophobicContact CB-CE2 3.94Å; Y152-R237 CarbonylContact O-C 3.55Å; Y152-R237 WeakPolarHBondContact O-CA 3.42Å; Y152-I238 PolarHBondContact N-O 3.2Å; Y152-I238 PolarHBondContact O-N 3.07Å; Y152-F243 AromaticContact CD2-CD2 3.78Å; Y152-F243 HydrophobicContact CD2-CD2 3.78Å; Y152-F243 AromaticContact CD2-CE2 3.66Å; Y152-F243 HydrophobicContact CD2-CE2 3.66Å; Y152-F243 HydrophobicContact CD2-CZ 4.45Å; Y152-F243 AromaticContact CE2-CD2 3.75Å; Y152-F243 HydrophobicContact CE2-CD2 3.75Å; Y152-F243 HydrophobicContact CE2-CE2 4.05Å; Y152-I248 HydrophobicContact CD1-CD1 3.73Å; Y152-I248 HydrophobicContact CD2-CD1 3.44Å; Y152-I248 VanDerWaalsContact CD2-CD1 3.44Å; Y152-I248 HydrophobicContact CE1-CD1 4.29Å; Y152-I248 HydrophobicContact CE2-CD1 4.03Å; Y152-I248 HydrophobicContact CG-CD1 3.26Å; Y152-L287 HydrophobicContact CD1-CD1 3.78Å; Y152-L287 HydrophobicContact CD1-CG 4.29Å; Y152-L287 HydrophobicContact CG-CD1 4.45Å; Y152-M288 WeakPolarHBondContact CA-O 3.26Å; Y152-M288 VanDerWaalsContact CD1-O 3.24Å; Y152-M288 WeakPolarHBondContact CD1-O 3.3Å; Y152-L289 HydrophobicContact CD1-CB 4.23Å; Y152-L289 HydrophobicContact CD2-CD1 4.08Å; Y152-L289 HydrophobicContact CE1-CB 3.8Å; Y152-L289 HydrophobicContact CE1-CD1 4.27Å; Y152-L289 HydrophobicContact CE2-CD1 3.67Å
153	D	98.7	Very high	97.8	Very high	1 Å²	1	21 Å²	21	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	139	170.7	-74	-8.2	0	0	0	108.3	I235 R237 M288 N290	D153-I235 HydrophobicContact CB-CG2 3.58Å; D153-R237 WeakPolarHBondContact OD1-CB 2.93Å; D153-R237 WeakPolarHBondContact OD1-CG 3.48Å; D153-R237 IonicContact OD1-CZ 3.91Å; D153-R237 IonicContact OD1-NE 2.85Å; D153-R237 PolarHBondContact OD1-NE 2.94Å; D153-R237 IonicContact OD1-NH2 3.78Å; D153-R237 PolarHBondContact OD1-NH2 2.83Å; D153-R237 IonicContact OD2-CZ 2.78Å; D153-R237 IonicContact OD2-NE 3.65Å; D153-R237 IonicContact OD2-NH2 2.69Å; D153-R237 PolarHBondContact OD2-NH2 3.14Å; D153-M288 HydrophobicContact CB-CG 3.89Å; D153-M288 HydrophobicContact CB-SD 4.43Å; D153-M288 PolarHBondContact N-O 3.13Å; D153-M288 PolarHBondContact O-N 2.97Å; D153-N290 HydrophobicContact CB-CB 4.5Å; D153-N290 PolarHBondContact OD2-ND2 2.92Å
154	Y	98.7	Very high	97.2	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.008	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	100.8	168.1	-166.1	-80.9	0	0	0	108.6	L156 I235 I236 R249 I252 A282 P283 G286 L287 M341	Y154-L156 HydrophobicContact CD1-CB 4.01Å; Y154-L156 HydrophobicContact CD1-CD2 4.39Å; Y154-L156 HydrophobicContact CE1-CB 3.92Å; Y154-L156 WeakPolarHBondContact O-CD2 3.37Å; Y154-I235 WeakPolarHBondContact O-CA 3.36Å; Y154-I236 PolarHBondContact N-O 2.93Å; Y154-I236 PolarHBondContact O-N 2.82Å; Y154-R249 HydrophobicContact CE2-CG 4.47Å; Y154-I252 HydrophobicContact CD1-CG1 4.39Å; Y154-I252 HydrophobicContact CD1-CG2 4.01Å; Y154-I252 HydrophobicContact CD2-CG1 4.05Å; Y154-I252 HydrophobicContact CE1-CG2 3.97Å; Y154-I252 HydrophobicContact CG-CD1 4.32Å; Y154-I252 HydrophobicContact CG-CG1 3.91Å; Y154-I252 HydrophobicContact CG-CG2 4.34Å; Y154-A282 HydrophobicContact CE2-CB 4.34Å; Y154-P283 WeakPolarHBondContact CE2-O 3.33Å; Y154-P283 WeakPolarHBondContact OH-CD 3.2Å; Y154-P283 PolarHBondContact OH-O 3.33Å; Y154-G286 CarbonylContact C-O 3.52Å; Y154-G286 VanDerWaalsContact CA-O 3.32Å; Y154-G286 WeakPolarHBondContact CA-O 3.29Å; Y154-L287 HydrophobicContact CD2-CB 4.01Å; Y154-L287 HydrophobicContact CD2-CD1 4.28Å; Y154-L287 HydrophobicContact CE2-CB 4.27Å; Y154-M341 HydrophobicContact CE1-CE 3.73Å; Y154-M341 WeakPolarHBondContact OH-CE 3.03Å
155	L	98.6	Very high	96.8	Very high	3 Å²	3	23.6 Å²	23.6	2%	0.016	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	125.9	174.8	-178.1	67.9	0	0	0	109.1	F226 L228 Y233 I235 G286 M288 Y328 I331	L155-F226 HydrophobicContact CD1-CE1 4.26Å; L155-F226 HydrophobicContact CD1-CE2 4.36Å; L155-F226 HydrophobicContact CD1-CZ 3.52Å; L155-L228 HydrophobicContact CD2-CD1 4.29Å; L155-Y233 HydrophobicContact CD1-CD1 3.86Å; L155-Y233 HydrophobicContact CD1-CG 4.1Å; L155-Y233 HydrophobicContact CD2-CD1 4.32Å; L155-Y233 HydrophobicContact CG-CD1 3.77Å; L155-Y233 HydrophobicContact CG-CE1 4.35Å; L155-Y233 HydrophobicContact CG-CG 4.44Å; L155-I235 HydrophobicContact CD1-CG1 4.06Å; L155-G286 PolarHBondContact N-O 3.02Å; L155-G286 VanDerWaalsContact O-CA 3.23Å; L155-G286 WeakPolarHBondContact O-CA 3.39Å; L155-M288 HydrophobicContact CB-CE 3.95Å; L155-Y328 HydrophobicContact CD2-CD1 3.71Å; L155-Y328 HydrophobicContact CD2-CE1 3.99Å; L155-Y328 HydrophobicContact CD2-CG 4.02Å; L155-I331 HydrophobicContact CB-CD1 4.5Å; L155-I331 HydrophobicContact CD2-CB 4.08Å; L155-I331 HydrophobicContact CD2-CD1 3.99Å; L155-I331 HydrophobicContact CD2-CG2 3.75Å; L155-I331 HydrophobicContact CG-CG2 4.43Å
156	L	98.5	Very high	96.5	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	144.7	179.3	72	174.3	0	0	0	112.6	Y154 A160 L161 Y233 T234 I236 L256 M341	Y154-L156 HydrophobicContact CD1-CB 4.01Å; Y154-L156 HydrophobicContact CD1-CD2 4.39Å; Y154-L156 HydrophobicContact CE1-CB 3.92Å; Y154-L156 WeakPolarHBondContact O-CD2 3.37Å; L156-A160 HydrophobicContact CD1-CB 4.07Å; L156-L161 HydrophobicContact CD1-CD1 4.42Å; L156-L161 HydrophobicContact CD1-CD2 4.31Å; L156-L161 HydrophobicContact CD1-CG 4.16Å; L156-Y233 WeakPolarHBondContact O-CA 3.44Å; L156-Y233 WeakPolarHBondContact O-CD1 3.13Å; L156-T234 HydrophobicContact CD2-CG2 3.78Å; L156-T234 WeakPolarHBondContact CD2-O 3.36Å; L156-T234 HydrophobicContact CG-CG2 4.41Å; L156-T234 PolarHBondContact N-O 3.37Å; L156-T234 PolarHBondContact O-N 3.25Å; L156-I236 HydrophobicContact CD1-CD1 4.13Å; L156-I236 HydrophobicContact CD2-CD1 4.27Å; L156-I236 HydrophobicContact CD2-CG1 4.08Å; L156-L256 HydrophobicContact CD1-CD1 4.31Å; L156-L256 HydrophobicContact CD1-CD2 4.05Å; L156-M341 HydrophobicContact CB-CE 4.18Å
157	P	98.4	Very high	96	Very high	3 Å²	3	25.4 Å²	25.4	2%	0.019	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	139.5	168.9	-23.1	34	0	0	0	110.6	F159 A160 W174 Y233 E335	P157-F159 HydrophobicContact CB-CD1 3.47Å; P157-F159 VanDerWaalsContact CB-CD1 3.47Å; P157-F159 HydrophobicContact CB-CD2 4.47Å; P157-F159 HydrophobicContact CB-CE1 3.15Å; P157-F159 HydrophobicContact CB-CE2 4.19Å; P157-F159 HydrophobicContact CB-CG 4.12Å; P157-F159 HydrophobicContact CB-CZ 3.55Å; P157-F159 HydrophobicContact CG-CE1 3.74Å; P157-F159 HydrophobicContact CG-CZ 3.76Å; P157-F159 PolarHBondContact O-N 3.2Å; P157-A160 VanDerWaalsContact O-CB 3.28Å; P157-A160 WeakPolarHBondContact O-CB 3.28Å; P157-A160 PolarHBondContact O-N 3.04Å; P157-W174 HydrophobicContact CB-CE3 4.46Å; P157-W174 HydrophobicContact CB-CH2 3.85Å; P157-W174 HydrophobicContact CB-CZ3 3.65Å; P157-W174 HydrophobicContact CG-CH2 3.55Å; P157-W174 HydrophobicContact CG-CZ2 4.42Å; P157-W174 HydrophobicContact CG-CZ3 3.88Å; P157-Y233 HydrophobicContact CB-CE1 4.36Å; P157-Y233 HydrophobicContact CG-CD1 4.32Å; P157-Y233 HydrophobicContact CG-CE1 3.69Å; P157-E335 HydrophobicContact CG-CG 3.73Å
158	T	98.2	Very high	95.8	Very high	3 Å²	3	26.7 Å²	26.7	2%	0.018	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-66	-24	-175.1	52.8	0	0	0	0	113.9	A160 L161 Y176 L178 T225 Q232 T234	T158-A160 PolarHBondContact O-N 2.82Å; T158-A160 VanDerWaalsContact O-N 3.14Å; T158-L161 WeakPolarHBondContact O-CB 3.44Å; T158-L161 PolarHBondContact O-N 3.33Å; T158-Y176 WeakPolarHBondContact O-CE1 3.46Å; T158-L178 HydrophobicContact CG2-CB 3.92Å; T158-L178 HydrophobicContact CG2-CD2 4.39Å; T158-T225 HydrophobicContact CG2-CG2 3.74Å; T158-Q232 HydrophobicContact CG2-CB 4.27Å; T158-Q232 HydrophobicContact CG2-CG 3.74Å; T158-Q232 PolarHBondContact N-O 2.77Å; T158-Q232 PolarHBondContact OG1-O 3.39Å; T158-Q232 PolarHBondContact OG1-OE1 2.95Å; T158-T234 HydrophobicContact CG2-CG2 4.25Å
159	F	97.6	Very high	95.6	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.009	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-59.3	-23.8	173.3	67.5	-112.8	0	0	0	113.2	P157 L161 S162 L168 C173 W174 Y176 R260 M341 F342 L345	P157-F159 HydrophobicContact CB-CD1 3.47Å; P157-F159 VanDerWaalsContact CB-CD1 3.47Å; P157-F159 HydrophobicContact CB-CD2 4.47Å; P157-F159 HydrophobicContact CB-CE1 3.15Å; P157-F159 HydrophobicContact CB-CE2 4.19Å; P157-F159 HydrophobicContact CB-CG 4.12Å; P157-F159 HydrophobicContact CB-CZ 3.55Å; P157-F159 HydrophobicContact CG-CE1 3.74Å; P157-F159 HydrophobicContact CG-CZ 3.76Å; P157-F159 PolarHBondContact O-N 3.2Å; F159-L161 PolarHBondContact O-N 3.31Å; F159-S162 WeakPolarHBondContact O-CB 3.4Å; F159-S162 PolarHBondContact O-N 2.81Å; F159-S162 VanDerWaalsContact O-N 3.07Å; F159-S162 PolarHBondContact O-OG 3.35Å; F159-L168 HydrophobicContact CB-CD1 3.82Å; F159-C173 HydrophobicContact CB-CB 4.23Å; F159-C173 VanDerWaalsContact CB-O 3.3Å; F159-C173 WeakPolarHBondContact CB-O 3.31Å; F159-C173 HydrophobicContact CD1-CB 3.95Å; F159-C173 HydrophobicContact CD2-CB 4.22Å; F159-C173 HydrophobicContact CE1-CB 4.33Å; F159-C173 HydrophobicContact CG-CB 3.9Å; F159-W174 HydrophobicContact CD1-CD2 4.27Å; F159-W174 HydrophobicContact CD1-CE3 4.14Å; F159-W174 HydrophobicContact CD1-CZ3 4.42Å; F159-W174 AromaticContact CE1-CD2 3.82Å; F159-W174 HydrophobicContact CE1-CD2 3.82Å; F159-W174 AromaticContact CE1-CE2 3.77Å; F159-W174 AromaticContact CE1-CE3 3.85Å; F159-W174 HydrophobicContact CE1-CE3 3.85Å; F159-W174 AromaticContact CE1-CH2 3.88Å; F159-W174 HydrophobicContact CE1-CH2 3.88Å; F159-W174 AromaticContact CE1-CZ2 3.82Å; F159-W174 HydrophobicContact CE1-CZ2 3.82Å; F159-W174 AromaticContact CE1-CZ3 3.88Å; F159-W174 HydrophobicContact CE1-CZ3 3.88Å; F159-W174 HydrophobicContact CZ-CZ2 4.4Å; F159-Y176 HydrophobicContact CB-CD1 4.29Å; F159-Y176 HydrophobicContact CB-CG 4.3Å; F159-R260 PolarHBondContact O-NH1 2.83Å; F159-M341 HydrophobicContact CE2-CB 4.27Å; F159-M341 HydrophobicContact CE2-CG 4.02Å; F159-M341 HydrophobicContact CZ-CB 4.34Å; F159-M341 HydrophobicContact CZ-CG 4.49Å; F159-F342 HydrophobicContact CD2-CD2 4.27Å; F159-F342 HydrophobicContact CE2-CB 3.85Å; F159-F342 HydrophobicContact CE2-CD2 4.08Å; F159-F342 HydrophobicContact CE2-CG 4.5Å; F159-F342 HydrophobicContact CZ-CB 4.07Å; F159-L345 HydrophobicContact CD2-CD1 4.11Å; F159-L345 HydrophobicContact CE2-CD1 4.07Å
160	A	98.1	Very high	95.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-63.7	-27.1	177.4	0	0	0	0	0	112.3	L156 P157 T158 S162 L256 R260 M341 L345	L156-A160 HydrophobicContact CD1-CB 4.07Å; P157-A160 VanDerWaalsContact O-CB 3.28Å; P157-A160 WeakPolarHBondContact O-CB 3.28Å; P157-A160 PolarHBondContact O-N 3.04Å; T158-A160 PolarHBondContact O-N 2.82Å; T158-A160 VanDerWaalsContact O-N 3.14Å; A160-S162 VanDerWaalsContact C-N 3.35Å; A160-L256 HydrophobicContact CB-CD1 4.42Å; A160-L256 HydrophobicContact CB-CD2 4.48Å; A160-R260 PolarHBondContact O-NH1 2.94Å; A160-M341 HydrophobicContact CB-CG 3.71Å; A160-M341 HydrophobicContact CB-SD 3.99Å; A160-L345 HydrophobicContact CB-CD1 4.01Å
161	L	98.3	Very high	94.7	Very high	5 Å²	5	35.9 Å²	35.9	3%	0.026	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-91.9	7.1	178.3	-61.6	166.9	0	0	0	112.6	L156 T158 F159 L178 V186 T234 I236 L256 L259	L156-L161 HydrophobicContact CD1-CD1 4.42Å; L156-L161 HydrophobicContact CD1-CD2 4.31Å; L156-L161 HydrophobicContact CD1-CG 4.16Å; T158-L161 WeakPolarHBondContact O-CB 3.44Å; T158-L161 PolarHBondContact O-N 3.33Å; F159-L161 PolarHBondContact O-N 3.31Å; L161-L178 HydrophobicContact CB-CD1 3.73Å; L161-L178 HydrophobicContact CB-CD2 4.47Å; L161-L178 HydrophobicContact CD1-CD1 4.4Å; L161-L178 HydrophobicContact CD1-CD2 3.63Å; L161-V186 HydrophobicContact CD2-CG1 4.25Å; L161-V186 HydrophobicContact CD2-CG2 3.92Å; L161-T234 HydrophobicContact CD1-CG2 3.57Å; L161-I236 HydrophobicContact CD2-CD1 4.42Å; L161-L256 HydrophobicContact CD2-CD2 3.41Å; L161-L256 VanDerWaalsContact CD2-CD2 3.41Å; L161-L256 HydrophobicContact CG-CD2 4.21Å; L161-L259 HydrophobicContact CD2-CD1 3.6Å
162	S	96.5	Very high	94.5	Very high	0 Å²	0	37 Å²	37	0%	0	24%	0.235	C	C	.	.			trans	-67	142.4	179	72.6	0	0	0	0	112.2	F159 A160 L168 Y176 R260	F159-S162 WeakPolarHBondContact O-CB 3.4Å; F159-S162 PolarHBondContact O-N 2.81Å; F159-S162 VanDerWaalsContact O-N 3.07Å; F159-S162 PolarHBondContact O-OG 3.35Å; A160-S162 VanDerWaalsContact C-N 3.35Å; S162-L168 WeakPolarHBondContact OG-CD1 3.2Å; S162-Y176 WeakPolarHBondContact CA-OH 3.37Å; S162-Y176 VanDerWaalsContact CB-CZ 3.42Å; S162-R260 WeakPolarHBondContact O-CG 3.33Å; S162-R260 PolarHBondContact O-NH1 2.6Å; S162-R260 PolarHBondContact OG-NH1 2.65Å
163	P	93.2	Very high	94.4	Very high	38 Å²	38	36.3 Å²	36.3	25%	0.247	23%	0.232	C	C	.	.			trans	-68.5	161.9	179.9	29.2	-36	0	0	0	111.4	T165 S166 Y176	P163-T165 PolarHBondContact O-N 3.12Å; P163-S166 WeakPolarHBondContact CD-OG 3.36Å; P163-S166 WeakPolarHBondContact CG-OG 3.2Å; P163-S166 WeakPolarHBondContact O-CB 3.38Å; P163-S166 PolarHBondContact O-N 3.44Å; P163-S166 PolarHBondContact O-OG 3.34Å; P163-Y176 WeakPolarHBondContact CD-OH 3.1Å
164	A	85.8	Confident	94.2	Very high	70 Å²	70	38.2 Å²	38.2	58%	0.579	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-30.4	177.7	0	0	0	0	0	114.1	S166 R260	A164-S166 PolarHBondContact O-N 3.17Å; A164-R260 WeakPolarHBondContact CB-O 3.17Å
165	T	88.6	Confident	94.1	Very high	124 Å²	124	42.8 Å²	42.8	76%	0.761	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-8.9	-179.2	52.9	0	0	0	0	114	P163 S167	P163-T165 PolarHBondContact O-N 3.12Å; T165-S167 PolarHBondContact O-N 2.76Å
166	S	88.7	Confident	94	Very high	31 Å²	31	43.9 Å²	43.9	22%	0.217	27%	0.272	C	S	.	.			trans	-83.4	114.1	-178.8	-62.8	0	0	0	0	111.5	P163 A164 L168	P163-S166 WeakPolarHBondContact CD-OG 3.36Å; P163-S166 WeakPolarHBondContact CG-OG 3.2Å; P163-S166 WeakPolarHBondContact O-CB 3.38Å; P163-S166 PolarHBondContact O-N 3.44Å; P163-S166 PolarHBondContact O-OG 3.34Å; A164-S166 PolarHBondContact O-N 3.17Å; S166-L168 VanDerWaalsContact C-N 3.32Å; S166-L168 PolarHBondContact O-N 2.83Å
167	S	88.3	Confident	93.9	Very high	120 Å²	120	49.1 Å²	49.1	84%	0.839	29%	0.291	S	S	*	.			trans	-81.9	71.4	175.2	-59.1	0	0	0	0	111.7	T165	T165-S167 PolarHBondContact O-N 2.76Å
168	L	93	Very high	93.9	Very high	41 Å²	41	49.5 Å²	49.5	22%	0.215	29%	0.293	C	S	.	.			trans	-92	138	176.7	-57	-179.1	0	0	0	111	F159 S162 S166 C173 Y176 F342	F159-L168 HydrophobicContact CB-CD1 3.82Å; S162-L168 WeakPolarHBondContact OG-CD1 3.2Å; S166-L168 VanDerWaalsContact C-N 3.32Å; S166-L168 PolarHBondContact O-N 2.83Å; L168-C173 HydrophobicContact CB-CB 4.34Å; L168-Y176 HydrophobicContact CD1-CD2 3.93Å; L168-Y176 HydrophobicContact CD1-CG 4.03Å; L168-Y176 HydrophobicContact CD2-CD2 4.34Å; L168-F342 HydrophobicContact CB-CE2 4.39Å
169	N	93.4	Very high	93.8	Very high	80 Å²	80	52.2 Å²	52.2	43%	0.428	31%	0.31	S	S	.	.			trans	-120.9	178.4	170.8	64.8	50.4	0	0	0	110.2	S171 T172 C173 F342	N169-S171 PolarHBondContact O-N 3.33Å; N169-S171 WeakPolarHBondContact OD1-CA 3.3Å; N169-S171 PolarHBondContact OD1-N 2.96Å; N169-T172 PolarHBondContact N-OG1 3.04Å; N169-T172 PolarHBondContact O-N 2.69Å; N169-T172 VanDerWaalsContact O-N 3.11Å; N169-T172 PolarHBondContact OD1-N 2.78Å; N169-T172 PolarHBondContact OD1-OG1 3.19Å; N169-C173 WeakPolarHBondContact O-CB 3.33Å; N169-C173 PolarHBondContact O-N 3.07Å; N169-F342 VanDerWaalsContact C-CZ 3.4Å
170	D	89.9	Confident	93.8	Very high	85 Å²	85	57 Å²	57	46%	0.455	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-35.7	-177.1	-168.1	75.7	0	0	0	112.7	N339 F342	D170-N339 PolarHBondContact OD1-ND2 3.42Å; D170-F342 HydrophobicContact CB-CE1 4.21Å
171	S	89.7	Confident	93.7	Very high	107 Å²	107	62.9 Å²	62.9	75%	0.748	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-21.5	179.8	-48.2	0	0	0	0	113.8	N169	N169-S171 PolarHBondContact O-N 3.33Å; N169-S171 WeakPolarHBondContact OD1-CA 3.3Å; N169-S171 PolarHBondContact OD1-N 2.96Å
172	T	93.7	Very high	93.6	Very high	47 Å²	47	64.2 Å²	64.2	29%	0.288	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-11.4	-175.7	63.3	0	0	0	0	114.1	N169 W174 T175	N169-T172 PolarHBondContact N-OG1 3.04Å; N169-T172 PolarHBondContact O-N 2.69Å; N169-T172 VanDerWaalsContact O-N 3.11Å; N169-T172 PolarHBondContact OD1-N 2.78Å; N169-T172 PolarHBondContact OD1-OG1 3.19Å; T172-W174 VanDerWaalsContact C-N 3.28Å; T172-W174 PolarHBondContact O-N 3.45Å; T172-T175 PolarHBondContact O-N 3.39Å; T172-T175 PolarHBondContact O-OG1 3.39Å
173	C	95.9	Very high	93.7	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-58.4	-40.6	-175.7	63.2	0	0	0	0	112.4	F159 L168 N169 T175 Y176 F342	F159-C173 HydrophobicContact CB-CB 4.23Å; F159-C173 VanDerWaalsContact CB-O 3.3Å; F159-C173 WeakPolarHBondContact CB-O 3.31Å; F159-C173 HydrophobicContact CD1-CB 3.95Å; F159-C173 HydrophobicContact CD2-CB 4.22Å; F159-C173 HydrophobicContact CE1-CB 4.33Å; F159-C173 HydrophobicContact CG-CB 3.9Å; L168-C173 HydrophobicContact CB-CB 4.34Å; N169-C173 WeakPolarHBondContact O-CB 3.33Å; N169-C173 PolarHBondContact O-N 3.07Å; C173-T175 PolarHBondContact O-N 2.97Å; C173-Y176 VanDerWaalsContact O-CB 3.26Å; C173-Y176 WeakPolarHBondContact O-CB 3.45Å; C173-Y176 PolarHBondContact O-N 3.02Å; C173-Y176 VanDerWaalsContact O-N 3.13Å; C173-F342 HydrophobicContact CB-CD2 3.57Å; C173-F342 HydrophobicContact CB-CE2 3.69Å
174	W	95.5	Very high	94	Very high	42 Å²	42	67.7 Å²	67.7	16%	0.159	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-69.8	-9.2	179.4	-67.1	108.5	0	0	0	114.7	P157 F159 T172 R177 H231 Y233 E335	P157-W174 HydrophobicContact CB-CE3 4.46Å; P157-W174 HydrophobicContact CB-CH2 3.85Å; P157-W174 HydrophobicContact CB-CZ3 3.65Å; P157-W174 HydrophobicContact CG-CH2 3.55Å; P157-W174 HydrophobicContact CG-CZ2 4.42Å; P157-W174 HydrophobicContact CG-CZ3 3.88Å; F159-W174 HydrophobicContact CD1-CD2 4.27Å; F159-W174 HydrophobicContact CD1-CE3 4.14Å; F159-W174 HydrophobicContact CD1-CZ3 4.42Å; F159-W174 AromaticContact CE1-CD2 3.82Å; F159-W174 HydrophobicContact CE1-CD2 3.82Å; F159-W174 AromaticContact CE1-CE2 3.77Å; F159-W174 AromaticContact CE1-CE3 3.85Å; F159-W174 HydrophobicContact CE1-CE3 3.85Å; F159-W174 AromaticContact CE1-CH2 3.88Å; F159-W174 HydrophobicContact CE1-CH2 3.88Å; F159-W174 AromaticContact CE1-CZ2 3.82Å; F159-W174 HydrophobicContact CE1-CZ2 3.82Å; F159-W174 AromaticContact CE1-CZ3 3.88Å; F159-W174 HydrophobicContact CE1-CZ3 3.88Å; F159-W174 HydrophobicContact CZ-CZ2 4.4Å; T172-W174 VanDerWaalsContact C-N 3.28Å; T172-W174 PolarHBondContact O-N 3.45Å; W174-R177 PolarHBondContact O-NH1 3.09Å; W174-H231 AromaticContact CD2-CD2 3.63Å; W174-H231 HydrophobicContact CE3-CB 3.67Å; W174-H231 AromaticContact CE3-CD2 3.47Å; W174-H231 VanDerWaalsContact CE3-CD2 3.47Å; W174-H231 AromaticContact CE3-CG 3.56Å; W174-H231 HydrophobicContact CH2-CB 4.4Å; W174-H231 HydrophobicContact CZ3-CB 3.53Å; W174-H231 AromaticContact CZ3-CG 3.64Å; W174-Y233 HydrophobicContact CH2-CE2 4.44Å; W174-Y233 AromaticContact CH2-CZ 3.92Å; W174-Y233 WeakPolarHBondContact CH2-OH 3.38Å; W174-Y233 HydrophobicContact CZ3-CE2 4.11Å; W174-Y233 AromaticContact CZ3-CZ 3.99Å; W174-E335 HydrophobicContact CH2-CG 3.91Å; W174-E335 HydrophobicContact CZ2-CG 4.07Å
175	T	95.4	Very high	94.5	Very high	97 Å²	97	69.7 Å²	69.7	60%	0.595	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-83.6	-16.4	173	74.9	0	0	0	0	112.5	T172 C173 R177	T172-T175 PolarHBondContact O-N 3.39Å; T172-T175 PolarHBondContact O-OG1 3.39Å; C173-T175 PolarHBondContact O-N 2.97Å; T175-R177 PolarHBondContact O-NH1 3.48Å
176	Y	96.9	Very high	95	Very high	26 Å²	26	63.9 Å²	63.9	10%	0.102	35%	0.354	C	S	.	.			trans	-61.1	140.6	178.5	-175.7	-91.7	0	0	0	111.4	T158 F159 S162 P163 L168 C173 L178 Q182	T158-Y176 WeakPolarHBondContact O-CE1 3.46Å; F159-Y176 HydrophobicContact CB-CD1 4.29Å; F159-Y176 HydrophobicContact CB-CG 4.3Å; S162-Y176 WeakPolarHBondContact CA-OH 3.37Å; S162-Y176 VanDerWaalsContact CB-CZ 3.42Å; P163-Y176 WeakPolarHBondContact CD-OH 3.1Å; L168-Y176 HydrophobicContact CD1-CD2 3.93Å; L168-Y176 HydrophobicContact CD1-CG 4.03Å; L168-Y176 HydrophobicContact CD2-CD2 4.34Å; C173-Y176 VanDerWaalsContact O-CB 3.26Å; C173-Y176 WeakPolarHBondContact O-CB 3.45Å; C173-Y176 PolarHBondContact O-N 3.02Å; C173-Y176 VanDerWaalsContact O-N 3.13Å; Y176-L178 HydrophobicContact CE1-CB 4.2Å; Y176-L178 HydrophobicContact CE1-CD1 4.22Å; Y176-Q182 PolarHBondContact OH-NE2 2.9Å; Y176-Q182 PolarHBondContact OH-OE1 2.88Å
177	R	97	Very high	95.4	Very high	110 Å²	110	64.6 Å²	64.6	42%	0.415	36%	0.355	S	S	.	.			trans	-129.2	125.1	174.6	-62	-66.6	179	-91.6	5.7	109.8	W174 T175 E230 Q232	W174-R177 PolarHBondContact O-NH1 3.09Å; T175-R177 PolarHBondContact O-NH1 3.48Å; R177-E230 PolarHBondContact NH2-O 2.95Å; R177-Q232 VanDerWaalsContact CA-OE1 3.22Å; R177-Q232 VanDerWaalsContact CD-CD 3.48Å
178	L	97.6	Very high	95.9	Very high	11 Å²	11	65.5 Å²	65.5	6%	0.058	34%	0.34	C	S	.	.			trans	-77.9	133.8	179.3	-172.3	76.1	0	0	0	110.3	T158 L161 Y176 Q182 I183 T225 T234	T158-L178 HydrophobicContact CG2-CB 3.92Å; T158-L178 HydrophobicContact CG2-CD2 4.39Å; L161-L178 HydrophobicContact CB-CD1 3.73Å; L161-L178 HydrophobicContact CB-CD2 4.47Å; L161-L178 HydrophobicContact CD1-CD1 4.4Å; L161-L178 HydrophobicContact CD1-CD2 3.63Å; Y176-L178 HydrophobicContact CE1-CB 4.2Å; Y176-L178 HydrophobicContact CE1-CD1 4.22Å; L178-Q182 HydrophobicContact CD1-CB 3.55Å; L178-Q182 HydrophobicContact CD1-CG 4.43Å; L178-Q182 HydrophobicContact CG-CB 4.12Å; L178-I183 HydrophobicContact CD2-CD1 4.28Å; L178-I183 HydrophobicContact CD2-CG1 3.53Å; L178-I183 HydrophobicContact CG-CG1 4.06Å; L178-T225 HydrophobicContact CB-CG2 4.16Å; L178-T225 HydrophobicContact CD2-CG2 4.25Å; L178-T234 HydrophobicContact CD2-CG2 4.38Å
179	T	96.7	Very high	96.2	Very high	60 Å²	60	63.7 Å²	63.7	37%	0.368	33%	0.331	S	S	.	.			trans	-92.1	165.3	178.4	84.2	0	0	0	0	112.3	E181 Q182 I183	T179-E181 VanDerWaalsContact C-N 3.3Å; T179-E181 WeakPolarHBondContact CB-OE2 3.47Å; T179-E181 PolarHBondContact O-N 2.96Å; T179-E181 PolarHBondContact OG1-N 3.27Å; T179-E181 PolarHBondContact OG1-OE2 3.45Å; T179-Q182 PolarHBondContact O-N 3.45Å; T179-Q182 PolarHBondContact OG1-N 3.05Å; T179-I183 WeakPolarHBondContact O-CG1 3.46Å; T179-I183 PolarHBondContact O-N 2.7Å
180	V	96.7	Very high	96.4	Very high	102 Å²	102	59.9 Å²	59.9	62%	0.618	31%	0.31	S	S	*	.	H	α-helix	trans	-65	-35.5	177.9	178.5	0	0	0	0	111.5	Q182 I183 T184	V180-Q182 VanDerWaalsContact C-N 3.3Å; V180-Q182 PolarHBondContact O-N 2.79Å; V180-I183 PolarHBondContact O-N 2.88Å; V180-T184 PolarHBondContact O-N 3.31Å; V180-T184 PolarHBondContact O-OG1 3.01Å
181	E	96.7	Very high	96.8	Very high	124 Å²	124	60.3 Å²	60.3	58%	0.579	31%	0.31	S	S	*	.	H	α-helix	trans	-63.3	-40.1	175.6	-59	68.9	-147.4	0	0	110.5	T179 T184 Q185	T179-E181 VanDerWaalsContact C-N 3.3Å; T179-E181 WeakPolarHBondContact CB-OE2 3.47Å; T179-E181 PolarHBondContact O-N 2.96Å; T179-E181 PolarHBondContact OG1-N 3.27Å; T179-E181 PolarHBondContact OG1-OE2 3.45Å; E181-T184 WeakPolarHBondContact O-CB 3.45Å; E181-T184 PolarHBondContact O-N 2.75Å; E181-Q185 WeakPolarHBondContact O-CG 3.41Å; E181-Q185 PolarHBondContact O-N 3.46Å
182	Q	97.2	Very high	97.3	Very high	34 Å²	34	58.4 Å²	58.4	16%	0.159	29%	0.288	C	S	.	.	H	α-helix	trans	-69	-40.9	176.2	-66	176	-43.3	0	0	111.5	Y176 L178 T179 V180 T184 Q185 V186	Y176-Q182 PolarHBondContact OH-NE2 2.9Å; Y176-Q182 PolarHBondContact OH-OE1 2.88Å; L178-Q182 HydrophobicContact CD1-CB 3.55Å; L178-Q182 HydrophobicContact CD1-CG 4.43Å; L178-Q182 HydrophobicContact CG-CB 4.12Å; T179-Q182 PolarHBondContact O-N 3.45Å; T179-Q182 PolarHBondContact OG1-N 3.05Å; V180-Q182 VanDerWaalsContact C-N 3.3Å; V180-Q182 PolarHBondContact O-N 2.79Å; Q182-T184 PolarHBondContact O-N 2.96Å; Q182-Q185 WeakPolarHBondContact O-CB 3.31Å; Q182-Q185 PolarHBondContact O-N 3.33Å; Q182-Q185 VanDerWaalsContact O-N 3.09Å; Q182-V186 VanDerWaalsContact O-CG2 3.27Å; Q182-V186 WeakPolarHBondContact O-CG2 3.41Å; Q182-V186 PolarHBondContact O-N 3.38Å
183	I	98.4	Very high	97.5	Very high	23 Å²	23	56.2 Å²	56.2	12%	0.118	27%	0.274	C	S	.	.	H	α-helix	trans	-56.1	-41.3	171.5	-67	169.9	0	0	0	110.6	L178 T179 V180 Q185 V186 N187 C222 T225	L178-I183 HydrophobicContact CD2-CD1 4.28Å; L178-I183 HydrophobicContact CD2-CG1 3.53Å; L178-I183 HydrophobicContact CG-CG1 4.06Å; T179-I183 WeakPolarHBondContact O-CG1 3.46Å; T179-I183 PolarHBondContact O-N 2.7Å; V180-I183 PolarHBondContact O-N 2.88Å; I183-Q185 PolarHBondContact O-N 3.22Å; I183-V186 PolarHBondContact O-N 2.84Å; I183-N187 WeakPolarHBondContact O-CB 3.4Å; I183-N187 PolarHBondContact O-N 2.77Å; I183-N187 PolarHBondContact O-ND2 3.41Å; I183-C222 HydrophobicContact CG2-CB 4.27Å; I183-T225 HydrophobicContact CD1-CG2 4.27Å
184	T	98.1	Very high	97.6	Very high	87 Å²	87	59.8 Å²	59.8	53%	0.534	29%	0.29	S	S	.	.	H	α-helix	trans	-62.7	-41.9	176.8	-56.6	0	0	0	0	111.8	V180 E181 Q182 N187 R188	V180-T184 PolarHBondContact O-N 3.31Å; V180-T184 PolarHBondContact O-OG1 3.01Å; E181-T184 WeakPolarHBondContact O-CB 3.45Å; E181-T184 PolarHBondContact O-N 2.75Å; Q182-T184 PolarHBondContact O-N 2.96Å; T184-N187 PolarHBondContact O-N 3.3Å; T184-R188 PolarHBondContact O-N 2.97Å
185	Q	96.8	Very high	97.8	Very high	112 Å²	112	58.8 Å²	58.8	52%	0.523	29%	0.293	S	S	.	.	H	α-helix	trans	-64.3	-42.3	174.9	-68.7	174.2	1	0	0	112.3	E181 Q182 I183 R188 L189	E181-Q185 WeakPolarHBondContact O-CG 3.41Å; E181-Q185 PolarHBondContact O-N 3.46Å; Q182-Q185 WeakPolarHBondContact O-CB 3.31Å; Q182-Q185 PolarHBondContact O-N 3.33Å; Q182-Q185 VanDerWaalsContact O-N 3.09Å; I183-Q185 PolarHBondContact O-N 3.22Å; Q185-R188 PolarHBondContact O-N 3.23Å; Q185-L189 PolarHBondContact O-N 2.9Å; Q185-L189 VanDerWaalsContact O-N 3.13Å
186	V	98.5	Very high	97.9	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.012	29%	0.291	C	S	.	.	H	α-helix	trans	-59.8	-47.9	174.9	177.4	0	0	0	0	110	L161 Q182 I183 R188 L189 L190 C222 L259	L161-V186 HydrophobicContact CD2-CG1 4.25Å; L161-V186 HydrophobicContact CD2-CG2 3.92Å; Q182-V186 VanDerWaalsContact O-CG2 3.27Å; Q182-V186 WeakPolarHBondContact O-CG2 3.41Å; Q182-V186 PolarHBondContact O-N 3.38Å; I183-V186 PolarHBondContact O-N 2.84Å; V186-R188 PolarHBondContact O-N 3.06Å; V186-L189 WeakPolarHBondContact O-CB 3.49Å; V186-L189 PolarHBondContact O-N 3.35Å; V186-L189 VanDerWaalsContact O-N 3.12Å; V186-L190 HydrophobicContact CG1-CD1 3.83Å; V186-L190 HydrophobicContact CG1-CG 4.16Å; V186-L190 WeakPolarHBondContact O-CG 3.46Å; V186-L190 PolarHBondContact O-N 3.48Å; V186-C222 HydrophobicContact CB-CB 4.19Å; V186-C222 HydrophobicContact CG1-CB 3.66Å; V186-L259 HydrophobicContact CB-CD1 4.49Å; V186-L259 HydrophobicContact CG1-CD1 4.3Å; V186-L259 HydrophobicContact CG2-CD1 3.79Å; V186-L259 HydrophobicContact CG2-CD2 3.98Å
187	N	98.7	Very high	97.9	Very high	47 Å²	47	59.5 Å²	59.5	25%	0.251	30%	0.296	S	S	.	.	H	α-helix	trans	-60.8	-43.6	178.6	-76.8	-25.3	0	0	0	112.5	I183 T184 L189 L190 E191 E221 C222	I183-N187 WeakPolarHBondContact O-CB 3.4Å; I183-N187 PolarHBondContact O-N 2.77Å; I183-N187 PolarHBondContact O-ND2 3.41Å; T184-N187 PolarHBondContact O-N 3.3Å; N187-L189 PolarHBondContact O-N 2.73Å; N187-L190 PolarHBondContact O-N 2.85Å; N187-E191 WeakPolarHBondContact O-CG 3.24Å; N187-E191 PolarHBondContact O-N 2.94Å; N187-E221 WeakPolarHBondContact OD1-CA 3.39Å; N187-C222 WeakPolarHBondContact OD1-CB 3.32Å; N187-C222 PolarHBondContact OD1-N 3.06Å
188	R	98.4	Very high	98	Very high	139 Å²	139	56.2 Å²	56.2	53%	0.525	29%	0.287	S	S	.	.	H	α-helix	trans	-56.9	-40.2	174.3	-173.8	-170.7	64.1	80.2	0.6	111.9	T184 Q185 V186 E265	T184-R188 PolarHBondContact O-N 2.97Å; Q185-R188 PolarHBondContact O-N 3.23Å; V186-R188 PolarHBondContact O-N 3.06Å; R188-E265 IonicContact CZ-OE1 2.95Å; R188-E265 IonicContact CZ-OE2 3.71Å; R188-E265 IonicContact NH1-OE1 3.68Å; R188-E265 PolarHBondContact NH1-OE1 2.59Å; R188-E265 IonicContact NH1-OE2 3.71Å; R188-E265 PolarHBondContact NH1-OE2 3.08Å; R188-E265 IonicContact NH2-OE1 2.75Å; R188-E265 PolarHBondContact NH2-OE1 3.11Å; R188-E265 IonicContact NH2-OE2 3.5Å
189	L	98.5	Very high	98	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-69.6	-44.2	177.6	-176.9	65.6	0	0	0	111.8	Q185 V186 N187 E191 K192 A255 V258 L259 E265 F268	Q185-L189 PolarHBondContact O-N 2.9Å; Q185-L189 VanDerWaalsContact O-N 3.13Å; V186-L189 WeakPolarHBondContact O-CB 3.49Å; V186-L189 PolarHBondContact O-N 3.35Å; V186-L189 VanDerWaalsContact O-N 3.12Å; N187-L189 PolarHBondContact O-N 2.73Å; L189-E191 VanDerWaalsContact C-N 3.26Å; L189-E191 PolarHBondContact O-N 2.85Å; L189-K192 HydrophobicContact CD1-CD 4.14Å; L189-K192 WeakPolarHBondContact O-CB 3.23Å; L189-K192 WeakPolarHBondContact O-CG 3.5Å; L189-K192 PolarHBondContact O-N 3.18Å; L189-K192 VanDerWaalsContact O-N 3.14Å; L189-A255 HydrophobicContact CD2-CB 4.21Å; L189-V258 HydrophobicContact CD1-CB 4.49Å; L189-V258 HydrophobicContact CD1-CG1 3.94Å; L189-V258 HydrophobicContact CD2-CB 3.92Å; L189-V258 HydrophobicContact CD2-CG1 3.9Å; L189-L259 HydrophobicContact CD2-CD1 4.29Å; L189-L259 HydrophobicContact CD2-CD2 4.06Å; L189-L259 HydrophobicContact CD2-CG 3.76Å; L189-E265 HydrophobicContact CD1-CG 3.87Å; L189-F268 HydrophobicContact CD1-CD2 4.41Å; L189-F268 HydrophobicContact CD1-CE2 3.69Å; L189-F268 HydrophobicContact CD1-CZ 4.19Å; L189-F268 HydrophobicContact CG-CE2 4.46Å
190	L	98.8	Very high	98	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-63.2	-29.9	-179.2	-70	176.3	0	0	0	112.9	V186 N187 K192 Y193 A220 C222 I236 A255	V186-L190 HydrophobicContact CG1-CD1 3.83Å; V186-L190 HydrophobicContact CG1-CG 4.16Å; V186-L190 WeakPolarHBondContact O-CG 3.46Å; V186-L190 PolarHBondContact O-N 3.48Å; N187-L190 PolarHBondContact O-N 2.85Å; L190-K192 PolarHBondContact O-N 2.87Å; L190-K192 VanDerWaalsContact O-N 3.12Å; L190-Y193 HydrophobicContact CD2-CD2 4.25Å; L190-Y193 HydrophobicContact CD2-CE2 4.21Å; L190-Y193 WeakPolarHBondContact O-CB 3.41Å; L190-Y193 PolarHBondContact O-N 3.44Å; L190-A220 HydrophobicContact CB-CB 3.95Å; L190-A220 WeakPolarHBondContact CB-O 3.35Å; L190-C222 HydrophobicContact CD1-CB 4.34Å; L190-I236 HydrophobicContact CD1-CG1 4.4Å; L190-I236 HydrophobicContact CD1-CG2 3.81Å; L190-I236 HydrophobicContact CD2-CG2 4.16Å; L190-A255 HydrophobicContact CD2-CB 4.17Å
191	E	98.4	Very high	98	Very high	95 Å²	95	49.2 Å²	49.2	44%	0.444	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-55.9	-26.9	174	-75.1	-72.8	127.6	0	0	113	N187 L189 Y193 K194	N187-E191 WeakPolarHBondContact O-CG 3.24Å; N187-E191 PolarHBondContact O-N 2.94Å; L189-E191 VanDerWaalsContact C-N 3.26Å; L189-E191 PolarHBondContact O-N 2.85Å; E191-Y193 PolarHBondContact O-N 2.92Å; E191-Y193 VanDerWaalsContact O-N 3.1Å; E191-K194 HydrophobicContact CG-CD 4.46Å; E191-K194 WeakPolarHBondContact O-CB 3.42Å; E191-K194 PolarHBondContact O-N 3.42Å; E191-K194 WeakPolarHBondContact OE1-CD 3.15Å; E191-K194 IonicContact OE1-NZ 3.79Å; E191-K194 PolarHBondContact OE1-NZ 3.06Å; E191-K194 WeakPolarHBondContact OE2-CD 3.34Å; E191-K194 WeakPolarHBondContact OE2-CE 3.43Å; E191-K194 IonicContact OE2-NZ 3.31Å; E191-K194 PolarHBondContact OE2-NZ 3.18Å
192	K	98.5	Very high	98	Very high	67 Å²	67	43.3 Å²	43.3	29%	0.291	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-61.6	-18.7	176.2	-65.8	-174.2	-179.4	-90	0	113.7	L189 L190 E265 F268	L189-K192 HydrophobicContact CD1-CD 4.14Å; L189-K192 WeakPolarHBondContact O-CB 3.23Å; L189-K192 WeakPolarHBondContact O-CG 3.5Å; L189-K192 PolarHBondContact O-N 3.18Å; L189-K192 VanDerWaalsContact O-N 3.14Å; L190-K192 PolarHBondContact O-N 2.87Å; L190-K192 VanDerWaalsContact O-N 3.12Å; K192-E265 WeakPolarHBondContact CE-OE2 3.42Å; K192-E265 IonicContact NZ-OE2 3.96Å; K192-E265 PolarHBondContact NZ-OE2 3.2Å; K192-F268 HydrophobicContact CB-CD1 3.58Å; K192-F268 HydrophobicContact CB-CE1 3.66Å; K192-F268 HydrophobicContact CB-CG 4.16Å; K192-F268 HydrophobicContact CB-CZ 4.31Å; K192-F268 HydrophobicContact CD-CB 3.85Å; K192-F268 HydrophobicContact CD-CD1 3.77Å; K192-F268 HydrophobicContact CD-CD2 3.56Å; K192-F268 HydrophobicContact CD-CE1 4.16Å; K192-F268 HydrophobicContact CD-CE2 3.99Å; K192-F268 HydrophobicContact CD-CG 3.44Å; K192-F268 VanDerWaalsContact CD-CG 3.44Å; K192-F268 HydrophobicContact CD-CZ 4.26Å; K192-F268 HydrophobicContact CG-CD1 4.35Å; K192-F268 HydrophobicContact CG-CG 4.45Å
193	Y	98.7	Very high	98	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-83.8	-18.2	176	-68.9	-59	0	0	0	114.2	L190 E191 H197 F199 F202 I217 M251 A255 F268 F272	L190-Y193 HydrophobicContact CD2-CD2 4.25Å; L190-Y193 HydrophobicContact CD2-CE2 4.21Å; L190-Y193 WeakPolarHBondContact O-CB 3.41Å; L190-Y193 PolarHBondContact O-N 3.44Å; E191-Y193 PolarHBondContact O-N 2.92Å; E191-Y193 VanDerWaalsContact O-N 3.1Å; Y193-H197 PolarHBondContact O-CD2 2.87Å; Y193-F199 HydrophobicContact CD1-CE1 4.17Å; Y193-F202 AromaticContact CE1-CE1 3.7Å; Y193-F202 HydrophobicContact CE1-CE1 3.7Å; Y193-F202 AromaticContact CE1-CZ 3.77Å; Y193-F202 HydrophobicContact CE1-CZ 3.77Å; Y193-I217 VanDerWaalsContact O-CB 3.29Å; Y193-I217 WeakPolarHBondContact O-CB 3.44Å; Y193-I217 WeakPolarHBondContact O-CG1 3.48Å; Y193-M251 HydrophobicContact CD1-CE 3.81Å; Y193-M251 HydrophobicContact CD1-CG 4.11Å; Y193-M251 HydrophobicContact CD2-CE 3.92Å; Y193-M251 HydrophobicContact CE1-CB 4.12Å; Y193-M251 HydrophobicContact CE1-CE 4.48Å; Y193-M251 HydrophobicContact CE1-CG 3.93Å; Y193-M251 HydrophobicContact CE2-CB 4.06Å; Y193-M251 HydrophobicContact CG-CE 3.51Å; Y193-M251 WeakPolarHBondContact OH-CA 3.44Å; Y193-M251 PolarHBondContact OH-O 3.19Å; Y193-A255 HydrophobicContact CE2-CB 4.43Å; Y193-F268 HydrophobicContact CD1-CE1 4.06Å; Y193-F268 AromaticContact CE1-CE1 3.54Å; Y193-F268 HydrophobicContact CE1-CE1 3.54Å; Y193-F268 HydrophobicContact CE1-CZ 4.13Å; Y193-F268 HydrophobicContact CE2-CE1 4.16Å; Y193-F268 HydrophobicContact CE2-CZ 4.14Å; Y193-F268 AromaticContact CZ-CE1 3.59Å; Y193-F268 AromaticContact CZ-CZ 3.7Å; Y193-F272 HydrophobicContact CD1-CE1 4.38Å; Y193-F272 AromaticContact CD1-CZ 3.84Å; Y193-F272 HydrophobicContact CD1-CZ 3.84Å; Y193-F272 HydrophobicContact CE1-CZ 4.22Å
194	K	98.5	Very high	97.6	Very high	75 Å²	75	43.1 Å²	43.1	33%	0.326	22%	0.219	S	C	.	.			trans	-68	150.1	-174.1	-73.8	168.9	69.9	-174.7	0	111.6	E191 H197 I218	E191-K194 HydrophobicContact CG-CD 4.46Å; E191-K194 WeakPolarHBondContact O-CB 3.42Å; E191-K194 PolarHBondContact O-N 3.42Å; E191-K194 WeakPolarHBondContact OE1-CD 3.15Å; E191-K194 IonicContact OE1-NZ 3.79Å; E191-K194 PolarHBondContact OE1-NZ 3.06Å; E191-K194 WeakPolarHBondContact OE2-CD 3.34Å; E191-K194 WeakPolarHBondContact OE2-CE 3.43Å; E191-K194 IonicContact OE2-NZ 3.31Å; E191-K194 PolarHBondContact OE2-NZ 3.18Å; K194-H197 PolarHBondContact O-NE2 3.44Å; K194-I218 WeakPolarHBondContact CE-O 3.44Å
195	G	98.4	Very high	97.1	Very high	22 Å²	22	39.9 Å²	39.9	23%	0.227	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	93.3	-166.2	-176.7	0	0	0	0	0	113.1	Y216 I217	G195-Y216 VanDerWaalsContact C-CD2 3.49Å; G195-Y216 WeakPolarHBondContact O-CA 3.25Å; G195-I217 PolarHBondContact N-O 3.43Å; G195-I217 PolarHBondContact O-N 3.17Å
196	T	98.3	Very high	96.8	Very high	88 Å²	88	39.8 Å²	39.8	54%	0.54	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	118.9	-179.4	-58.6	0	0	0	0	110.2	S214 R215 Y216	T196-S214 WeakPolarHBondContact CG2-OG 3.49Å; T196-R215 WeakPolarHBondContact CA-O 3.41Å; T196-Y216 WeakPolarHBondContact OG1-CD2 3.19Å
197	H	98.1	Very high	96.5	Very high	49 Å²	49	44.1 Å²	44.1	23%	0.227	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	160.7	176.9	-60.1	-74.8	0	0	0	111.8	Y193 K194 F199 S214 R215 F272	Y193-H197 PolarHBondContact O-CD2 2.87Å; K194-H197 PolarHBondContact O-NE2 3.44Å; H197-F199 HydrophobicContact CB-CD2 4.07Å; H197-F199 HydrophobicContact CB-CE2 3.69Å; H197-F199 HydrophobicContact CB-CZ 4.23Å; H197-F199 WeakPolarHBondContact O-CD2 3.49Å; H197-F199 PolarHBondContact O-N 3.4Å; H197-S214 WeakPolarHBondContact O-CA 3.21Å; H197-R215 PolarHBondContact N-O 3.02Å; H197-R215 VanDerWaalsContact N-O 3.09Å; H197-R215 PolarHBondContact O-N 2.83Å; H197-R215 VanDerWaalsContact O-N 3.1Å; H197-F272 HydrophobicContact CB-CB 4.35Å; H197-F272 HydrophobicContact CB-CD1 3.5Å; H197-F272 VanDerWaalsContact CB-CD1 3.5Å; H197-F272 HydrophobicContact CB-CD2 4.38Å; H197-F272 HydrophobicContact CB-CE1 3.75Å; H197-F272 HydrophobicContact CB-CG 3.83Å; H197-F272 HydrophobicContact CB-CZ 4.29Å; H197-F272 AromaticContact CG-CD1 4Å; H197-F272 AromaticContact ND1-CD2 3.7Å; H197-F272 AromaticContact ND1-CE2 3.96Å; H197-F272 AromaticContact ND1-CG 3.92Å
198	N	97.5	Very high	96.1	Very high	41 Å²	41	43.5 Å²	43.5	22%	0.219	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	102.9	167.6	-171.5	-26.5	0	0	0	109.6	Y200 V208 C213	N198-Y200 PolarHBondContact O-N 2.7Å; N198-Y200 WeakPolarHBondContact OD1-CB 3.43Å; N198-Y200 PolarHBondContact OD1-N 2.77Å; N198-V208 PolarHBondContact ND2-O 3.42Å; N198-V208 VanDerWaalsContact ND2-O 3.15Å; N198-C213 WeakPolarHBondContact OD1-CB 3.36Å
199	F	97.9	Very high	95.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.227	C	C	.	.			trans	-85	24.2	-179.8	-76.6	-90.4	0	0	0	113.5	Y193 H197 N201 F202 T203 C213 R215 I217 Q247 M251 F272	Y193-F199 HydrophobicContact CD1-CE1 4.17Å; H197-F199 HydrophobicContact CB-CD2 4.07Å; H197-F199 HydrophobicContact CB-CE2 3.69Å; H197-F199 HydrophobicContact CB-CZ 4.23Å; H197-F199 WeakPolarHBondContact O-CD2 3.49Å; H197-F199 PolarHBondContact O-N 3.4Å; F199-N201 VanDerWaalsContact C-N 3.28Å; F199-N201 PolarHBondContact O-N 3.41Å; F199-F202 HydrophobicContact CB-CB 4.14Å; F199-F202 HydrophobicContact CB-CD2 4.2Å; F199-F202 HydrophobicContact CD1-CB 3.9Å; F199-F202 HydrophobicContact CD1-CD1 4.31Å; F199-F202 AromaticContact CD1-CD2 3.51Å; F199-F202 HydrophobicContact CD1-CD2 3.51Å; F199-F202 HydrophobicContact CD1-CE2 4.07Å; F199-F202 AromaticContact CD1-CG 3.64Å; F199-F202 HydrophobicContact CD1-CG 3.64Å; F199-F202 HydrophobicContact CE1-CD2 4.31Å; F199-F202 HydrophobicContact CE1-CE2 4.49Å; F199-F202 HydrophobicContact CE1-CG 4.43Å; F199-F202 HydrophobicContact CG-CD2 4.22Å; F199-F202 CarbonylContact O-C 3.58Å; F199-F202 WeakPolarHBondContact O-CA 3.49Å; F199-F202 WeakPolarHBondContact O-CB 3.49Å; F199-F202 PolarHBondContact O-N 3.1Å; F199-T203 PolarHBondContact O-N 2.85Å; F199-C213 PolarHBondContact N-O 3.23Å; F199-R215 HydrophobicContact CD2-CB 3.67Å; F199-R215 HydrophobicContact CD2-CG 4.39Å; F199-R215 HydrophobicContact CE2-CB 4.07Å; F199-I217 HydrophobicContact CE1-CG1 4.46Å; F199-I217 HydrophobicContact CE2-CD1 4.43Å; F199-I217 HydrophobicContact CE2-CG1 3.92Å; F199-I217 HydrophobicContact CZ-CD1 4.14Å; F199-I217 HydrophobicContact CZ-CG1 3.52Å; F199-Q247 HydrophobicContact CB-CG 4.39Å; F199-Q247 HydrophobicContact CD1-CG 3.86Å; F199-Q247 VanDerWaalsContact CD1-NE2 3.29Å; F199-Q247 HydrophobicContact CE1-CG 4.48Å; F199-Q247 HydrophobicContact CG-CG 4.27Å; F199-Q247 VanDerWaalsContact CG-NE2 3.3Å; F199-M251 HydrophobicContact CD1-SD 4.49Å; F199-M251 HydrophobicContact CE1-CE 4.18Å; F199-M251 HydrophobicContact CE1-CG 4.07Å; F199-M251 HydrophobicContact CE1-SD 3.89Å; F199-F272 HydrophobicContact CD1-CE1 4.24Å; F199-F272 AromaticContact CE1-CE1 3.87Å; F199-F272 HydrophobicContact CE1-CE1 3.87Å; F199-F272 HydrophobicContact CZ-CE1 4.07Å
200	Y	96.4	Very high	95.6	Very high	27 Å²	27	44.5 Å²	44.5	11%	0.106	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-49.7	-44.6	177.5	164.7	-113	0	0	0	113.3	N198 F202 T203 R206 V208 R276	N198-Y200 PolarHBondContact O-N 2.7Å; N198-Y200 WeakPolarHBondContact OD1-CB 3.43Å; N198-Y200 PolarHBondContact OD1-N 2.77Å; Y200-F202 PolarHBondContact O-N 3.15Å; Y200-T203 PolarHBondContact O-N 2.75Å; Y200-R206 VanDerWaalsContact CE2-O 3.27Å; Y200-R206 WeakPolarHBondContact CE2-O 3.37Å; Y200-V208 HydrophobicContact CD1-CB 3.96Å; Y200-V208 HydrophobicContact CD1-CG2 3.88Å; Y200-V208 HydrophobicContact CD2-CB 3.93Å; Y200-V208 HydrophobicContact CE1-CB 4.04Å; Y200-V208 HydrophobicContact CE1-CG2 4.3Å; Y200-V208 HydrophobicContact CE2-CB 4.01Å; Y200-V208 HydrophobicContact CG-CB 3.89Å; Y200-V208 HydrophobicContact CG-CG2 3.99Å; Y200-R276 HydrophobicContact CE1-CB 4.43Å; Y200-R276 VanDerWaalsContact CE1-CD 3.49Å; Y200-R276 VanDerWaalsContact CZ-NH1 3.31Å; Y200-R276 PolarHBondContact O-NH1 3.38Å; Y200-R276 WeakPolarHBondContact OH-CD 3.01Å
201	N	97.1	Very high	95.4	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-70.9	-18.2	178.6	-71.6	-50.9	0	0	0	113.4	F199 T203 K250 V271 A275 R276 I277 I279	F199-N201 VanDerWaalsContact C-N 3.28Å; F199-N201 PolarHBondContact O-N 3.41Å; N201-T203 VanDerWaalsContact C-N 3.34Å; N201-K250 WeakPolarHBondContact O-CD 3.23Å; N201-K250 PolarHBondContact O-NZ 3.27Å; N201-V271 HydrophobicContact CB-CG2 4.06Å; N201-V271 PolarHBondContact ND2-O 3.3Å; N201-A275 PolarHBondContact ND2-O 3.19Å; N201-A275 PolarHBondContact OD1-O 2.87Å; N201-R276 WeakPolarHBondContact OD1-CA 3.41Å; N201-R276 WeakPolarHBondContact OD1-CD 3.49Å; N201-I277 PolarHBondContact OD1-N 3.26Å; N201-I279 HydrophobicContact CB-CD1 4.38Å; N201-I279 WeakPolarHBondContact O-CD1 3.5Å
202	F	97.8	Very high	95.2	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-91.1	7.4	178.9	-58.7	-97.5	0	0	0	113.1	Y193 F199 Y200 H246 Q247 K250 M251 L254 V271 F272 I279	Y193-F202 AromaticContact CE1-CE1 3.7Å; Y193-F202 HydrophobicContact CE1-CE1 3.7Å; Y193-F202 AromaticContact CE1-CZ 3.77Å; Y193-F202 HydrophobicContact CE1-CZ 3.77Å; F199-F202 HydrophobicContact CB-CB 4.14Å; F199-F202 HydrophobicContact CB-CD2 4.2Å; F199-F202 HydrophobicContact CD1-CB 3.9Å; F199-F202 HydrophobicContact CD1-CD1 4.31Å; F199-F202 AromaticContact CD1-CD2 3.51Å; F199-F202 HydrophobicContact CD1-CD2 3.51Å; F199-F202 HydrophobicContact CD1-CE2 4.07Å; F199-F202 AromaticContact CD1-CG 3.64Å; F199-F202 HydrophobicContact CD1-CG 3.64Å; F199-F202 HydrophobicContact CE1-CD2 4.31Å; F199-F202 HydrophobicContact CE1-CE2 4.49Å; F199-F202 HydrophobicContact CE1-CG 4.43Å; F199-F202 HydrophobicContact CG-CD2 4.22Å; F199-F202 CarbonylContact O-C 3.58Å; F199-F202 WeakPolarHBondContact O-CA 3.49Å; F199-F202 WeakPolarHBondContact O-CB 3.49Å; F199-F202 PolarHBondContact O-N 3.1Å; Y200-F202 PolarHBondContact O-N 3.15Å; F202-H246 CarbonylContact O-C 3.47Å; F202-Q247 HydrophobicContact CB-CB 4.49Å; F202-Q247 HydrophobicContact CB-CG 4.02Å; F202-Q247 WeakPolarHBondContact O-CA 3.29Å; F202-Q247 PolarHBondContact O-N 3.05Å; F202-K250 VanDerWaalsContact C-CD 3.47Å; F202-K250 HydrophobicContact CB-CB 4.2Å; F202-K250 HydrophobicContact CD1-CB 3.83Å; F202-K250 HydrophobicContact CG-CB 4.44Å; F202-K250 WeakPolarHBondContact O-CD 3.45Å; F202-M251 HydrophobicContact CD1-CB 4.44Å; F202-M251 HydrophobicContact CD1-CG 3.7Å; F202-M251 HydrophobicContact CE1-CG 3.97Å; F202-L254 HydrophobicContact CE1-CD2 4.07Å; F202-L254 HydrophobicContact CZ-CD2 3.9Å; F202-V271 HydrophobicContact CD2-CG2 4.49Å; F202-V271 HydrophobicContact CE2-CB 4.31Å; F202-V271 HydrophobicContact CE2-CG1 3.94Å; F202-V271 HydrophobicContact CE2-CG2 3.52Å; F202-V271 HydrophobicContact CZ-CB 4.32Å; F202-V271 HydrophobicContact CZ-CG1 3.83Å; F202-V271 HydrophobicContact CZ-CG2 3.52Å; F202-F272 HydrophobicContact CD2-CE1 4.39Å; F202-F272 AromaticContact CE2-CD1 3.84Å; F202-F272 HydrophobicContact CE2-CD1 3.84Å; F202-F272 AromaticContact CE2-CE1 3.53Å; F202-F272 HydrophobicContact CE2-CE1 3.53Å; F202-F272 HydrophobicContact CE2-CZ 4.45Å; F202-F272 AromaticContact CZ-CE1 3.95Å; F202-F272 HydrophobicContact CZ-CE1 3.95Å; F202-F272 HydrophobicContact CZ-CZ 4.48Å; F202-I279 HydrophobicContact CD1-CD1 3.62Å; F202-I279 HydrophobicContact CD2-CD1 4.31Å; F202-I279 HydrophobicContact CE1-CD1 3.65Å; F202-I279 HydrophobicContact CE2-CD1 4.36Å; F202-I279 HydrophobicContact CG-CD1 3.96Å; F202-I279 HydrophobicContact CZ-CD1 4.04Å
203	T	95.6	Very high	95.1	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.012	25%	0.251	C	S	.	.	S	Bend	trans	-140.3	176.7	175.5	-160.9	0	0	0	0	112.3	F199 Y200 N201 R206 M244 L245 R276	F199-T203 PolarHBondContact O-N 2.85Å; Y200-T203 PolarHBondContact O-N 2.75Å; N201-T203 VanDerWaalsContact C-N 3.34Å; T203-R206 HydrophobicContact CG2-CB 4.03Å; T203-R206 HydrophobicContact CG2-CG 3.91Å; T203-M244 HydrophobicContact CG2-CB 4.28Å; T203-M244 HydrophobicContact CG2-CE 4.36Å; T203-L245 WeakPolarHBondContact CB-O 3.43Å; T203-L245 PolarHBondContact OG1-O 3.04Å; T203-R276 PolarHBondContact O-NH2 2.8Å; T203-R276 VanDerWaalsContact O-NH2 3.11Å
204	S	90.3	Very high	95	Very high	50 Å²	50	51.4 Å²	51.4	35%	0.35	27%	0.271	S	S	.	.	S	Bend	trans	-124.9	151.6	-179.8	-64.4	0	0	0	0	110.1	R206	S204-R206 VanDerWaalsContact C-N 3.32Å; S204-R206 PolarHBondContact O-N 3.26Å
205	G	88.4	Confident	95	Very high	19 Å²	19	50 Å²	50	20%	0.196	26%	0.264	C	S	.	.	S	Bend	trans	69.3	24.1	173.4	0	0	0	0	0	115.3
206	R	90.8	Very high	95	Very high	111 Å²	111	53.4 Å²	53.4	42%	0.419	27%	0.27	S	S	.	.			trans	-123.8	151.7	177.9	-64.3	-72.2	168.6	-176.7	-5.3	110.1	Y200 T203 S204 D210 M244	Y200-R206 VanDerWaalsContact CE2-O 3.27Å; Y200-R206 WeakPolarHBondContact CE2-O 3.37Å; T203-R206 HydrophobicContact CG2-CB 4.03Å; T203-R206 HydrophobicContact CG2-CG 3.91Å; S204-R206 VanDerWaalsContact C-N 3.32Å; S204-R206 PolarHBondContact O-N 3.26Å; R206-D210 VanDerWaalsContact CD-OD2 3.25Å; R206-D210 WeakPolarHBondContact CD-OD2 3.49Å; R206-D210 IonicContact NH1-OD2 3.94Å; R206-D210 PolarHBondContact NH1-OD2 3.2Å; R206-D210 VanDerWaalsContact NH1-OD2 3.15Å; R206-M244 HydrophobicContact CG-CE 3.68Å
207	L	91.5	Very high	95	Very high	93 Å²	93	49.2 Å²	49.2	49%	0.487	24%	0.244	S	C	.	.			trans	-83.3	148.5	169.7	-68.1	173.4	0	0	0	109.6	T209 D210 L362	L207-T209 PolarHBondContact O-N 3.3Å; L207-D210 HydrophobicContact CB-CB 4.49Å; L207-D210 WeakPolarHBondContact O-CB 3.48Å; L207-D210 PolarHBondContact O-N 3.04Å; L207-L362 HydrophobicContact CD2-CD2 3.35Å; L207-L362 HydrophobicContact CG-CD2 4.22Å
208	V	90.9	Very high	95	Very high	34 Å²	34	49.9 Å²	49.9	21%	0.206	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-27	176.3	65	0	0	0	0	113.2	N198 Y200 D210 K274	N198-V208 PolarHBondContact ND2-O 3.42Å; N198-V208 VanDerWaalsContact ND2-O 3.15Å; Y200-V208 HydrophobicContact CD1-CB 3.96Å; Y200-V208 HydrophobicContact CD1-CG2 3.88Å; Y200-V208 HydrophobicContact CD2-CB 3.93Å; Y200-V208 HydrophobicContact CE1-CB 4.04Å; Y200-V208 HydrophobicContact CE1-CG2 4.3Å; Y200-V208 HydrophobicContact CE2-CB 4.01Å; Y200-V208 HydrophobicContact CG-CB 3.89Å; Y200-V208 HydrophobicContact CG-CG2 3.99Å; V208-D210 VanDerWaalsContact C-N 3.33Å; V208-K274 HydrophobicContact CG2-CB 3.72Å; V208-K274 HydrophobicContact CG2-CG 3.83Å
209	T	92.7	Very high	95.1	Very high	115 Å²	115	49.4 Å²	49.4	71%	0.706	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-6.1	177.2	49.8	0	0	0	0	113.3	L207 R211	L207-T209 PolarHBondContact O-N 3.3Å; T209-R211 PolarHBondContact O-N 3.4Å
210	D	93.1	Very high	95.1	Very high	47 Å²	47	49.5 Å²	49.5	25%	0.251	25%	0.25	S	C	.	.			trans	-67.7	122.7	178.4	-170.5	-29.4	0	0	0	109.4	R206 L207 V208 S212 C213	R206-D210 VanDerWaalsContact CD-OD2 3.25Å; R206-D210 WeakPolarHBondContact CD-OD2 3.49Å; R206-D210 IonicContact NH1-OD2 3.94Å; R206-D210 PolarHBondContact NH1-OD2 3.2Å; R206-D210 VanDerWaalsContact NH1-OD2 3.15Å; L207-D210 HydrophobicContact CB-CB 4.49Å; L207-D210 WeakPolarHBondContact O-CB 3.48Å; L207-D210 PolarHBondContact O-N 3.04Å; V208-D210 VanDerWaalsContact C-N 3.33Å; D210-S212 PolarHBondContact O-N 3.41Å; D210-S212 VanDerWaalsContact O-N 3.12Å; D210-S212 WeakPolarHBondContact OD1-CB 3.45Å; D210-S212 PolarHBondContact OD1-N 3.28Å; D210-S212 PolarHBondContact OD1-OG 2.83Å; D210-S212 PolarHBondContact OD2-OG 3.34Å; D210-S212 VanDerWaalsContact OD2-OG 3.1Å; D210-C213 WeakPolarHBondContact O-CB 3.43Å; D210-C213 PolarHBondContact O-N 3.22Å
211	R	93.9	Very high	95.2	Very high	225 Å²	225	51.8 Å²	51.8	85%	0.849	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-59.8	-25.1	179.1	-165.2	178.5	-57.1	-157.1	1.7	111.9	T209 C213 S214	T209-R211 PolarHBondContact O-N 3.4Å; R211-C213 PolarHBondContact O-N 3.33Å; R211-S214 WeakPolarHBondContact O-CB 3.43Å; R211-S214 PolarHBondContact O-N 2.85Å; R211-S214 VanDerWaalsContact O-N 3.08Å
212	S	94.1	Very high	95.3	Very high	23 Å²	23	52.1 Å²	52.1	16%	0.161	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-66.1	-14.5	173.3	72.2	0	0	0	0	113.5	D210 S214 R215 M244	D210-S212 PolarHBondContact O-N 3.41Å; D210-S212 VanDerWaalsContact O-N 3.12Å; D210-S212 WeakPolarHBondContact OD1-CB 3.45Å; D210-S212 PolarHBondContact OD1-N 3.28Å; D210-S212 PolarHBondContact OD1-OG 2.83Å; D210-S212 PolarHBondContact OD2-OG 3.34Å; D210-S212 VanDerWaalsContact OD2-OG 3.1Å; S212-S214 VanDerWaalsContact C-N 3.3Å; S212-R215 PolarHBondContact O-NE 3.46Å; S212-R215 PolarHBondContact O-NH1 2.82Å; S212-R215 PolarHBondContact O-NH2 3.25Å; S212-M244 WeakPolarHBondContact O-CG 3.38Å; S212-M244 VanDerWaalsContact OG-CE 3.27Å; S212-M244 WeakPolarHBondContact OG-CE 3.44Å
213	C	96.4	Very high	95.3	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-76	-19.2	170.9	-65.9	0	0	0	0	112.7	N198 F199 D210 R211 R215	N198-C213 WeakPolarHBondContact OD1-CB 3.36Å; F199-C213 PolarHBondContact N-O 3.23Å; D210-C213 WeakPolarHBondContact O-CB 3.43Å; D210-C213 PolarHBondContact O-N 3.22Å; R211-C213 PolarHBondContact O-N 3.33Å; C213-R215 PolarHBondContact O-N 2.7Å
214	S	97.5	Very high	95.5	Very high	58 Å²	58	58.7 Å²	58.7	41%	0.406	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	116	173.9	-170.5	0	0	0	0	110.1	T196 H197 R211 S212	T196-S214 WeakPolarHBondContact CG2-OG 3.49Å; H197-S214 WeakPolarHBondContact O-CA 3.21Å; R211-S214 WeakPolarHBondContact O-CB 3.43Å; R211-S214 PolarHBondContact O-N 2.85Å; R211-S214 VanDerWaalsContact O-N 3.08Å; S212-S214 VanDerWaalsContact C-N 3.3Å
215	R	97.9	Very high	95.8	Very high	47 Å²	47	58.6 Å²	58.6	18%	0.177	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	149.2	-179.1	-62.5	-70.4	177.3	-111.1	12.4	110.8	T196 H197 F199 S212 C213 S242 M244	T196-R215 WeakPolarHBondContact CA-O 3.41Å; H197-R215 PolarHBondContact N-O 3.02Å; H197-R215 VanDerWaalsContact N-O 3.09Å; H197-R215 PolarHBondContact O-N 2.83Å; H197-R215 VanDerWaalsContact O-N 3.1Å; F199-R215 HydrophobicContact CD2-CB 3.67Å; F199-R215 HydrophobicContact CD2-CG 4.39Å; F199-R215 HydrophobicContact CE2-CB 4.07Å; S212-R215 PolarHBondContact O-NE 3.46Å; S212-R215 PolarHBondContact O-NH1 2.82Å; S212-R215 PolarHBondContact O-NH2 3.25Å; C213-R215 PolarHBondContact O-N 2.7Å; R215-S242 WeakPolarHBondContact CD-O 3.45Å; R215-S242 VanDerWaalsContact CD-OG 3.28Å; R215-S242 WeakPolarHBondContact CD-OG 3.39Å; R215-S242 PolarHBondContact NE-OG 2.92Å; R215-M244 HydrophobicContact CG-CG 4.29Å; R215-M244 PolarHBondContact NH2-SD 2.67Å
216	Y	98.5	Very high	96.3	Very high	92 Å²	92	60.5 Å²	60.5	36%	0.361	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	118.8	177.6	-177.4	-108.8	0	0	0	110.3	G195 T196 I218 G240 Q241	G195-Y216 VanDerWaalsContact C-CD2 3.49Å; G195-Y216 WeakPolarHBondContact O-CA 3.25Å; T196-Y216 WeakPolarHBondContact OG1-CD2 3.19Å; Y216-I218 HydrophobicContact CD1-CG1 3.92Å; Y216-I218 HydrophobicContact CE1-CG1 3.69Å; Y216-G240 WeakPolarHBondContact O-CA 3.44Å; Y216-Q241 HydrophobicContact CD1-CG 4Å; Y216-Q241 PolarHBondContact O-N 3.37Å
217	I	98.8	Very high	96.6	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	122.9	172.7	-54.6	-55.9	0	0	0	108.1	Y193 G195 F199 I238 F243 M251	Y193-I217 VanDerWaalsContact O-CB 3.29Å; Y193-I217 WeakPolarHBondContact O-CB 3.44Å; Y193-I217 WeakPolarHBondContact O-CG1 3.48Å; G195-I217 PolarHBondContact N-O 3.43Å; G195-I217 PolarHBondContact O-N 3.17Å; F199-I217 HydrophobicContact CE1-CG1 4.46Å; F199-I217 HydrophobicContact CE2-CD1 4.43Å; F199-I217 HydrophobicContact CE2-CG1 3.92Å; F199-I217 HydrophobicContact CZ-CD1 4.14Å; F199-I217 HydrophobicContact CZ-CG1 3.52Å; I217-I238 HydrophobicContact CD1-CG2 4.45Å; I217-I238 HydrophobicContact CG2-CG2 4.09Å; I217-F243 HydrophobicContact CD1-CD1 4.26Å; I217-F243 HydrophobicContact CD1-CE1 3.66Å; I217-F243 HydrophobicContact CD1-CZ 4.5Å; I217-M251 HydrophobicContact CD1-CE 4.15Å; I217-M251 HydrophobicContact CD1-SD 4.49Å; I217-M251 HydrophobicContact CG1-CE 4.13Å
218	I	98.7	Very high	96.8	Very high	63 Å²	63	56.4 Å²	56.4	32%	0.323	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	-49.8	179.5	-61.6	164.2	0	0	0	109.2	H149 K194 Y216 A239	H149-I218 HydrophobicContact CB-CD1 3.5Å; K194-I218 WeakPolarHBondContact CE-O 3.44Å; Y216-I218 HydrophobicContact CD1-CG1 3.92Å; Y216-I218 HydrophobicContact CE1-CG1 3.69Å; I218-A239 HydrophobicContact CB-CB 4.16Å; I218-A239 PolarHBondContact N-O 3.37Å
219	S	98.7	Very high	96.8	Very high	31 Å²	31	58.2 Å²	58.2	22%	0.217	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	154.4	179.1	61.8	0	0	0	0	111.2	I238 A239	S219-I238 WeakPolarHBondContact O-CA 3.2Å; S219-A239 PolarHBondContact N-O 3.44Å; S219-A239 PolarHBondContact O-N 2.77Å; S219-A239 WeakPolarHBondContact OG-CB 3.41Å
220	A	98.7	Very high	96.8	Very high	2 Å²	2	60.6 Å²	60.6	2%	0.017	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	118.2	168.3	0	0	0	0	0	107.6	L190 R237 I238	L190-A220 HydrophobicContact CB-CB 3.95Å; L190-A220 WeakPolarHBondContact CB-O 3.35Å; A220-R237 CarbonylContact C-O 3.55Å; A220-R237 VanDerWaalsContact CA-O 3.3Å; A220-R237 WeakPolarHBondContact CA-O 3.28Å; A220-I238 HydrophobicContact CB-CG1 4.26Å; A220-I238 HydrophobicContact CB-CG2 4.42Å
221	E	98.5	Very high	97	Very high	76 Å²	76	60.3 Å²	60.3	36%	0.355	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	142.9	-170.8	63.8	-173.3	163.6	0	0	111.6	N187 M223 I236 R237	N187-E221 WeakPolarHBondContact OD1-CA 3.39Å; E221-M223 HydrophobicContact CG-SD 3.8Å; E221-I236 CarbonylContact O-C 3.54Å; E221-I236 VanDerWaalsContact O-CA 3.31Å; E221-I236 WeakPolarHBondContact O-CA 3.45Å; E221-R237 HydrophobicContact CG-CB 3.95Å; E221-R237 HydrophobicContact CG-CG 4.49Å; E221-R237 PolarHBondContact N-O 3.24Å; E221-R237 PolarHBondContact O-N 3.42Å
222	C	98.8	Very high	97.2	Very high	6 Å²	6	50.6 Å²	50.6	4%	0.041	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	119.5	167.6	-175.4	0	0	0	0	108.5	I183 V186 N187 L190 I235	I183-C222 HydrophobicContact CG2-CB 4.27Å; V186-C222 HydrophobicContact CB-CB 4.19Å; V186-C222 HydrophobicContact CG1-CB 3.66Å; N187-C222 WeakPolarHBondContact OD1-CB 3.32Å; N187-C222 PolarHBondContact OD1-N 3.06Å; L190-C222 HydrophobicContact CD1-CB 4.34Å; C222-I235 CarbonylContact C-O 3.59Å; C222-I235 WeakPolarHBondContact CA-O 3.47Å
223	M	98.3	Very high	97.4	Very high	43 Å²	43	49.5 Å²	49.5	21%	0.212	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-75	167.1	-179.7	-55.8	-55.8	-66.5	0	0	111.2	E221 T234 I235 R237	E221-M223 HydrophobicContact CG-SD 3.8Å; M223-T234 PolarHBondContact O-OG1 2.84Å; M223-I235 HydrophobicContact CB-CB 4.07Å; M223-I235 HydrophobicContact CG-CB 3.79Å; M223-I235 HydrophobicContact CG-CG2 4.06Å; M223-I235 WeakPolarHBondContact CG-O 3.46Å; M223-I235 PolarHBondContact N-O 3.34Å; M223-R237 HydrophobicContact CG-CB 4.4Å; M223-R237 HydrophobicContact SD-CB 4.21Å
224	P	98.2	Very high	97.5	Very high	98 Å²	98	49.5 Å²	49.5	64%	0.636	27%	0.272	S	S	*	.	P	Polyproline II helix	trans	-57.2	149.7	167.9	-25.8	36.1	0	0	0	112.5
225	T	98.4	Very high	97.5	Very high	48 Å²	48	47.3 Å²	47.3	29%	0.294	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-74.3	153.7	177.9	62.2	0	0	0	0	112	T158 L178 I183 Q232 Y233	T158-T225 HydrophobicContact CG2-CG2 3.74Å; L178-T225 HydrophobicContact CB-CG2 4.16Å; L178-T225 HydrophobicContact CD2-CG2 4.25Å; I183-T225 HydrophobicContact CD1-CG2 4.27Å; T225-Q232 HydrophobicContact CG2-CG 4.34Å; T225-Q232 PolarHBondContact OG1-NE2 2.86Å; T225-Y233 CarbonylContact C-O 3.6Å; T225-Y233 WeakPolarHBondContact CA-O 3.1Å; T225-Y233 WeakPolarHBondContact CB-O 3.26Å
226	F	97.9	Very high	97.6	Very high	58 Å²	58	45.1 Å²	45.1	25%	0.254	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	168.7	169.8	58.5	-83.3	0	0	0	110.2	L155 L228 Y233 I235 Y328	L155-F226 HydrophobicContact CD1-CE1 4.26Å; L155-F226 HydrophobicContact CD1-CE2 4.36Å; L155-F226 HydrophobicContact CD1-CZ 3.52Å; F226-L228 HydrophobicContact CD2-CD2 4.23Å; F226-L228 HydrophobicContact CD2-CG 4.15Å; F226-L228 HydrophobicContact CE2-CD1 4.05Å; F226-L228 HydrophobicContact CE2-CD2 3.91Å; F226-L228 HydrophobicContact CE2-CG 3.75Å; F226-Y233 PolarHBondContact N-O 3.33Å; F226-Y233 PolarHBondContact O-N 2.89Å; F226-I235 HydrophobicContact CE1-CD1 3.9Å; F226-I235 HydrophobicContact CE1-CG1 4.05Å; F226-I235 HydrophobicContact CZ-CD1 4.33Å; F226-I235 HydrophobicContact CZ-CG1 4.43Å; F226-Y328 AromaticContact CE2-CD2 3.94Å; F226-Y328 HydrophobicContact CE2-CD2 3.94Å; F226-Y328 AromaticContact CE2-CE2 3.78Å; F226-Y328 HydrophobicContact CE2-CE2 3.78Å; F226-Y328 HydrophobicContact CZ-CD2 4.1Å; F226-Y328 AromaticContact CZ-CE2 3.52Å; F226-Y328 HydrophobicContact CZ-CE2 3.52Å
227	L	97.2	Very high	97.6	Very high	104 Å²	104	43.4 Å²	43.4	55%	0.545	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	137	176.3	-65.5	175.4	0	0	0	110.4	H231 Q232	L227-H231 WeakPolarHBondContact CA-O 3.34Å; L227-Q232 HydrophobicContact CD2-CB 3.88Å; L227-Q232 HydrophobicContact CD2-CG 4.25Å
228	L	95.3	Very high	97.6	Very high	15 Å²	15	43.5 Å²	43.5	8%	0.079	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	105.7	160.5	-66.1	176.6	0	0	0	106.2	L155 F226 E230 H231 Y233 M324 Y328 D332	L155-L228 HydrophobicContact CD2-CD1 4.29Å; F226-L228 HydrophobicContact CD2-CD2 4.23Å; F226-L228 HydrophobicContact CD2-CG 4.15Å; F226-L228 HydrophobicContact CE2-CD1 4.05Å; F226-L228 HydrophobicContact CE2-CD2 3.91Å; F226-L228 HydrophobicContact CE2-CG 3.75Å; L228-E230 PolarHBondContact O-N 2.86Å; L228-H231 PolarHBondContact N-O 3.24Å; L228-H231 WeakPolarHBondContact O-CB 3.24Å; L228-H231 PolarHBondContact O-N 2.83Å; L228-H231 VanDerWaalsContact O-N 3.07Å; L228-Y233 HydrophobicContact CB-CD2 4.05Å; L228-Y233 HydrophobicContact CB-CE2 4.14Å; L228-Y233 HydrophobicContact CD1-CD2 3.86Å; L228-Y233 HydrophobicContact CD1-CE2 4.06Å; L228-Y233 HydrophobicContact CD1-CG 4.28Å; L228-Y233 HydrophobicContact CG-CD2 4.09Å; L228-Y233 HydrophobicContact CG-CE2 4.49Å; L228-M324 HydrophobicContact CD2-CE 3.68Å; L228-Y328 HydrophobicContact CD1-CD2 4.28Å; L228-Y328 HydrophobicContact CD1-CG 4.35Å; L228-Y328 HydrophobicContact CD2-CD2 4.23Å; L228-D332 HydrophobicContact CB-CB 4.39Å; L228-D332 HydrophobicContact CD1-CB 4.19Å
229	G	92	Very high	97.6	Very high	71 Å²	71	40.8 Å²	40.8	73%	0.732	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.6	-121.1	-164.9	0	0	0	0	0	111.1
230	E	92.3	Very high	97.6	Very high	165 Å²	165	39.3 Å²	39.3	77%	0.771	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-7.7	178.5	-58.5	-170.7	161.8	0	0	113.5	R177 L228	R177-E230 PolarHBondContact NH2-O 2.95Å; L228-E230 PolarHBondContact O-N 2.86Å
231	H	96.2	Very high	97.5	Very high	41 Å²	41	44 Å²	44	19%	0.19	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	127.5	-173.3	-61	147	0	0	0	111.4	W174 L227 L228 Y233 D332 S336	W174-H231 AromaticContact CD2-CD2 3.63Å; W174-H231 HydrophobicContact CE3-CB 3.67Å; W174-H231 AromaticContact CE3-CD2 3.47Å; W174-H231 VanDerWaalsContact CE3-CD2 3.47Å; W174-H231 AromaticContact CE3-CG 3.56Å; W174-H231 HydrophobicContact CH2-CB 4.4Å; W174-H231 HydrophobicContact CZ3-CB 3.53Å; W174-H231 AromaticContact CZ3-CG 3.64Å; L227-H231 WeakPolarHBondContact CA-O 3.34Å; L228-H231 PolarHBondContact N-O 3.24Å; L228-H231 WeakPolarHBondContact O-CB 3.24Å; L228-H231 PolarHBondContact O-N 2.83Å; L228-H231 VanDerWaalsContact O-N 3.07Å; H231-Y233 HydrophobicContact CB-CD2 4.12Å; H231-Y233 HydrophobicContact CB-CE2 3.54Å; H231-D332 IonicContact CE1-OD1 3.8Å; H231-D332 IonicContact CG-OD1 3.2Å; H231-D332 IonicContact ND1-OD1 2.63Å; H231-D332 PolarHBondContact ND1-OD1 2.83Å; H231-D332 IonicContact ND1-OD2 2.89Å; H231-S336 VanDerWaalsContact CE1-CB 3.43Å; H231-S336 WeakPolarHBondContact CE1-CB 3.5Å
232	Q	97.9	Very high	97.4	Very high	21 Å²	21	42 Å²	42	10%	0.098	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	124.3	176.3	-165.3	-170.7	57.3	0	0	111.2	T158 R177 T225 L227	T158-Q232 HydrophobicContact CG2-CB 4.27Å; T158-Q232 HydrophobicContact CG2-CG 3.74Å; T158-Q232 PolarHBondContact N-O 2.77Å; T158-Q232 PolarHBondContact OG1-O 3.39Å; T158-Q232 PolarHBondContact OG1-OE1 2.95Å; R177-Q232 VanDerWaalsContact CA-OE1 3.22Å; R177-Q232 VanDerWaalsContact CD-CD 3.48Å; T225-Q232 HydrophobicContact CG2-CG 4.34Å; T225-Q232 PolarHBondContact OG1-NE2 2.86Å; L227-Q232 HydrophobicContact CD2-CB 3.88Å; L227-Q232 HydrophobicContact CD2-CG 4.25Å
233	Y	98.6	Very high	97.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	161.2	176	-74.5	-95.2	0	0	0	111.4	L155 L156 P157 W174 T225 F226 L228 H231 D332	L155-Y233 HydrophobicContact CD1-CD1 3.86Å; L155-Y233 HydrophobicContact CD1-CG 4.1Å; L155-Y233 HydrophobicContact CD2-CD1 4.32Å; L155-Y233 HydrophobicContact CG-CD1 3.77Å; L155-Y233 HydrophobicContact CG-CE1 4.35Å; L155-Y233 HydrophobicContact CG-CG 4.44Å; L156-Y233 WeakPolarHBondContact O-CA 3.44Å; L156-Y233 WeakPolarHBondContact O-CD1 3.13Å; P157-Y233 HydrophobicContact CB-CE1 4.36Å; P157-Y233 HydrophobicContact CG-CD1 4.32Å; P157-Y233 HydrophobicContact CG-CE1 3.69Å; W174-Y233 HydrophobicContact CH2-CE2 4.44Å; W174-Y233 AromaticContact CH2-CZ 3.92Å; W174-Y233 WeakPolarHBondContact CH2-OH 3.38Å; W174-Y233 HydrophobicContact CZ3-CE2 4.11Å; W174-Y233 AromaticContact CZ3-CZ 3.99Å; T225-Y233 CarbonylContact C-O 3.6Å; T225-Y233 WeakPolarHBondContact CA-O 3.1Å; T225-Y233 WeakPolarHBondContact CB-O 3.26Å; F226-Y233 PolarHBondContact N-O 3.33Å; F226-Y233 PolarHBondContact O-N 2.89Å; L228-Y233 HydrophobicContact CB-CD2 4.05Å; L228-Y233 HydrophobicContact CB-CE2 4.14Å; L228-Y233 HydrophobicContact CD1-CD2 3.86Å; L228-Y233 HydrophobicContact CD1-CE2 4.06Å; L228-Y233 HydrophobicContact CD1-CG 4.28Å; L228-Y233 HydrophobicContact CG-CD2 4.09Å; L228-Y233 HydrophobicContact CG-CE2 4.49Å; H231-Y233 HydrophobicContact CB-CD2 4.12Å; H231-Y233 HydrophobicContact CB-CE2 3.54Å; Y233-D332 HydrophobicContact CE2-CB 4.4Å; Y233-D332 WeakPolarHBondContact CE2-OD1 3.2Å; Y233-D332 WeakPolarHBondContact OH-CA 3.43Å; Y233-D332 PolarHBondContact OH-OD1 3.2Å
234	T	98.7	Very high	97.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	178.5	159.7	-174.3	0	0	0	0	109.4	L156 T158 L161 L178 M223	L156-T234 HydrophobicContact CD2-CG2 3.78Å; L156-T234 WeakPolarHBondContact CD2-O 3.36Å; L156-T234 HydrophobicContact CG-CG2 4.41Å; L156-T234 PolarHBondContact N-O 3.37Å; L156-T234 PolarHBondContact O-N 3.25Å; T158-T234 HydrophobicContact CG2-CG2 4.25Å; L161-T234 HydrophobicContact CD1-CG2 3.57Å; L178-T234 HydrophobicContact CD2-CG2 4.38Å; M223-T234 PolarHBondContact O-OG1 2.84Å
235	I	98.8	Very high	97	Very high	13 Å²	13	41 Å²	41	7%	0.067	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	131.4	177.3	-63.1	157.3	0	0	0	107.7	D153 Y154 L155 C222 M223 F226 R237 Y328	D153-I235 HydrophobicContact CB-CG2 3.58Å; Y154-I235 WeakPolarHBondContact O-CA 3.36Å; L155-I235 HydrophobicContact CD1-CG1 4.06Å; C222-I235 CarbonylContact C-O 3.59Å; C222-I235 WeakPolarHBondContact CA-O 3.47Å; M223-I235 HydrophobicContact CB-CB 4.07Å; M223-I235 HydrophobicContact CG-CB 3.79Å; M223-I235 HydrophobicContact CG-CG2 4.06Å; M223-I235 WeakPolarHBondContact CG-O 3.46Å; M223-I235 PolarHBondContact N-O 3.34Å; F226-I235 HydrophobicContact CE1-CD1 3.9Å; F226-I235 HydrophobicContact CE1-CG1 4.05Å; F226-I235 HydrophobicContact CZ-CD1 4.33Å; F226-I235 HydrophobicContact CZ-CG1 4.43Å; I235-R237 HydrophobicContact CG2-CB 4.35Å; I235-Y328 WeakPolarHBondContact CD1-OH 3.36Å
236	I	98.9	Very high	96.7	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	111.6	158	-64.2	169.2	0	0	0	107.6	Y154 L156 L161 L190 E221 I238 I252	Y154-I236 PolarHBondContact N-O 2.93Å; Y154-I236 PolarHBondContact O-N 2.82Å; L156-I236 HydrophobicContact CD1-CD1 4.13Å; L156-I236 HydrophobicContact CD2-CD1 4.27Å; L156-I236 HydrophobicContact CD2-CG1 4.08Å; L161-I236 HydrophobicContact CD2-CD1 4.42Å; L190-I236 HydrophobicContact CD1-CG1 4.4Å; L190-I236 HydrophobicContact CD1-CG2 3.81Å; L190-I236 HydrophobicContact CD2-CG2 4.16Å; E221-I236 CarbonylContact O-C 3.54Å; E221-I236 VanDerWaalsContact O-CA 3.31Å; E221-I236 WeakPolarHBondContact O-CA 3.45Å; I236-I238 HydrophobicContact CG2-CD1 4.37Å; I236-I238 HydrophobicContact CG2-CG1 4.08Å; I236-I252 HydrophobicContact CB-CD1 3.62Å; I236-I252 HydrophobicContact CD1-CD1 3.72Å; I236-I252 HydrophobicContact CG1-CD1 4.27Å; I236-I252 HydrophobicContact CG2-CD1 3.38Å
237	R	98.9	Very high	96.7	Very high	56 Å²	56	37.8 Å²	37.8	21%	0.211	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	128.6	178.1	174.4	166.1	-69.9	162.5	4	109.9	I151 Y152 D153 A220 E221 M223 I235 N290	I151-R237 HydrophobicContact CG2-CG 3.65Å; Y152-R237 CarbonylContact O-C 3.55Å; Y152-R237 WeakPolarHBondContact O-CA 3.42Å; D153-R237 WeakPolarHBondContact OD1-CB 2.93Å; D153-R237 WeakPolarHBondContact OD1-CG 3.48Å; D153-R237 IonicContact OD1-CZ 3.91Å; D153-R237 IonicContact OD1-NE 2.85Å; D153-R237 PolarHBondContact OD1-NE 2.94Å; D153-R237 IonicContact OD1-NH2 3.78Å; D153-R237 PolarHBondContact OD1-NH2 2.83Å; D153-R237 IonicContact OD2-CZ 2.78Å; D153-R237 IonicContact OD2-NE 3.65Å; D153-R237 IonicContact OD2-NH2 2.69Å; D153-R237 PolarHBondContact OD2-NH2 3.14Å; A220-R237 CarbonylContact C-O 3.55Å; A220-R237 VanDerWaalsContact CA-O 3.3Å; A220-R237 WeakPolarHBondContact CA-O 3.28Å; E221-R237 HydrophobicContact CG-CB 3.95Å; E221-R237 HydrophobicContact CG-CG 4.49Å; E221-R237 PolarHBondContact N-O 3.24Å; E221-R237 PolarHBondContact O-N 3.42Å; M223-R237 HydrophobicContact CG-CB 4.4Å; M223-R237 HydrophobicContact SD-CB 4.21Å; I235-R237 HydrophobicContact CG2-CB 4.35Å; R237-N290 PolarHBondContact NH2-ND2 3.5Å
238	I	98.9	Very high	96.8	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	119.1	178.5	-49.6	-171.2	0	0	0	109.2	Y152 I217 S219 A220 I236 F243 I248 M251 I252	Y152-I238 PolarHBondContact N-O 3.2Å; Y152-I238 PolarHBondContact O-N 3.07Å; I217-I238 HydrophobicContact CD1-CG2 4.45Å; I217-I238 HydrophobicContact CG2-CG2 4.09Å; S219-I238 WeakPolarHBondContact O-CA 3.2Å; A220-I238 HydrophobicContact CB-CG1 4.26Å; A220-I238 HydrophobicContact CB-CG2 4.42Å; I236-I238 HydrophobicContact CG2-CD1 4.37Å; I236-I238 HydrophobicContact CG2-CG1 4.08Å; I238-F243 HydrophobicContact CG2-CE1 3.79Å; I238-F243 HydrophobicContact CG2-CZ 3.99Å; I238-I248 HydrophobicContact CD1-CG2 4.12Å; I238-M251 HydrophobicContact CD1-CB 4.38Å; I238-M251 HydrophobicContact CD1-CE 3.88Å; I238-M251 HydrophobicContact CD1-SD 4.31Å; I238-M251 HydrophobicContact CG2-CE 3.99Å; I238-I252 HydrophobicContact CD1-CD1 4.17Å
239	A	98.8	Very high	96.9	Very high	6 Å²	6	34.5 Å²	34.5	5%	0.05	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	131	172.4	0	0	0	0	0	110	R150 I151 I218 S219	R150-A239 WeakPolarHBondContact O-CA 3.39Å; I151-A239 HydrophobicContact CG1-CB 4.1Å; I218-A239 HydrophobicContact CB-CB 4.16Å; I218-A239 PolarHBondContact N-O 3.37Å; S219-A239 PolarHBondContact N-O 3.44Å; S219-A239 PolarHBondContact O-N 2.77Å; S219-A239 WeakPolarHBondContact OG-CB 3.41Å
240	G	98.5	Very high	97.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	155.9	179.6	0	0	0	0	0	111.6	H149 R150 Y216 S242	H149-G240 WeakPolarHBondContact CA-O 3.28Å; H149-G240 WeakPolarHBondContact CB-O 3.35Å; R150-G240 PolarHBondContact N-O 2.98Å; R150-G240 PolarHBondContact O-N 2.87Å; Y216-G240 WeakPolarHBondContact O-CA 3.44Å; G240-S242 VanDerWaalsContact C-N 3.29Å; G240-S242 PolarHBondContact O-N 2.86Å
241	Q	97	Very high	97.5	Very high	101 Å²	101	24.3 Å²	24.3	47%	0.472	12%	0.116	S	C	.	.	S	Bend	trans	-57	-46.9	179.2	-80.5	175.9	-16	0	0	111.1	R150 Y216	R150-Q241 PolarHBondContact NH1-O 2.93Å; Y216-Q241 HydrophobicContact CD1-CG 4Å; Y216-Q241 PolarHBondContact O-N 3.37Å
242	S	96.2	Very high	97.6	Very high	35 Å²	35	22.4 Å²	22.4	25%	0.245	11%	0.107	C	C	.	.			trans	-156.4	166.2	174.5	59.1	0	0	0	0	109.9	R215 G240	R215-S242 WeakPolarHBondContact CD-O 3.45Å; R215-S242 VanDerWaalsContact CD-OG 3.28Å; R215-S242 WeakPolarHBondContact CD-OG 3.39Å; R215-S242 PolarHBondContact NE-OG 2.92Å; G240-S242 VanDerWaalsContact C-N 3.29Å; G240-S242 PolarHBondContact O-N 2.86Å
243	F	97.3	Very high	97.7	Very high	36 Å²	36	21.4 Å²	21.4	16%	0.158	10%	0.102	C	C	.	.			trans	-132.5	146.5	-179.7	-59.4	-83.9	0	0	0	110.7	R150 Y152 I217 I238 I248	R150-F243 HydrophobicContact CB-CD2 4.22Å; R150-F243 HydrophobicContact CB-CE2 3.91Å; R150-F243 WeakPolarHBondContact O-CE2 3.26Å; Y152-F243 AromaticContact CD2-CD2 3.78Å; Y152-F243 HydrophobicContact CD2-CD2 3.78Å; Y152-F243 AromaticContact CD2-CE2 3.66Å; Y152-F243 HydrophobicContact CD2-CE2 3.66Å; Y152-F243 HydrophobicContact CD2-CZ 4.45Å; Y152-F243 AromaticContact CE2-CD2 3.75Å; Y152-F243 HydrophobicContact CE2-CD2 3.75Å; Y152-F243 HydrophobicContact CE2-CE2 4.05Å; I217-F243 HydrophobicContact CD1-CD1 4.26Å; I217-F243 HydrophobicContact CD1-CE1 3.66Å; I217-F243 HydrophobicContact CD1-CZ 4.5Å; I238-F243 HydrophobicContact CG2-CE1 3.79Å; I238-F243 HydrophobicContact CG2-CZ 3.99Å; F243-I248 HydrophobicContact CB-CD1 4.29Å; F243-I248 HydrophobicContact CD1-CD1 3.86Å; F243-I248 HydrophobicContact CD1-CG1 3.63Å; F243-I248 HydrophobicContact CD2-CD1 4.04Å; F243-I248 HydrophobicContact CE1-CD1 4.12Å; F243-I248 HydrophobicContact CE1-CG1 3.86Å; F243-I248 HydrophobicContact CE2-CD1 4.31Å; F243-I248 HydrophobicContact CG-CD1 3.8Å; F243-I248 HydrophobicContact CG-CG1 4.07Å; F243-I248 HydrophobicContact CZ-CD1 4.33Å; F243-I248 HydrophobicContact CZ-CG1 4.5Å
244	M	95.5	Very high	97.7	Very high	25 Å²	25	21.4 Å²	21.4	12%	0.123	10%	0.102	C	C	.	.			trans	-85.3	164.2	172.1	-64.8	-62.3	-82.8	0	0	111.3	T203 R206 S212 R215 H246 Q247	T203-M244 HydrophobicContact CG2-CB 4.28Å; T203-M244 HydrophobicContact CG2-CE 4.36Å; R206-M244 HydrophobicContact CG-CE 3.68Å; S212-M244 WeakPolarHBondContact O-CG 3.38Å; S212-M244 VanDerWaalsContact OG-CE 3.27Å; S212-M244 WeakPolarHBondContact OG-CE 3.44Å; R215-M244 HydrophobicContact CG-CG 4.29Å; R215-M244 PolarHBondContact NH2-SD 2.67Å; M244-H246 PolarHBondContact O-N 3.47Å; M244-Q247 HydrophobicContact CB-CB 4.19Å; M244-Q247 VanDerWaalsContact O-CB 3.26Å; M244-Q247 WeakPolarHBondContact O-CB 3.33Å; M244-Q247 PolarHBondContact O-N 3.46Å
245	L	93.3	Very high	97.7	Very high	64 Å²	64	21.4 Å²	21.4	34%	0.335	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	126	174.4	-179.2	67.4	0	0	0	110	D97 T203 Q247	D97-L245 VanDerWaalsContact OD1-CD1 3.29Å; D97-L245 WeakPolarHBondContact OD1-CD1 3.44Å; T203-L245 WeakPolarHBondContact CB-O 3.43Å; T203-L245 PolarHBondContact OG1-O 3.04Å; L245-Q247 PolarHBondContact O-N 3.21Å; L245-Q247 VanDerWaalsContact O-N 3.15Å
246	H	93.8	Very high	97.7	Very high	38 Å²	38	20.8 Å²	20.8	18%	0.176	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	4.3	-178.2	-50.1	-35.8	0	0	0	117.1	D97 F202 M244 I248 R249 K250 K281	D97-H246 IonicContact OD2-CE1 3.82Å; D97-H246 IonicContact OD2-ND1 3.31Å; D97-H246 PolarHBondContact OD2-ND1 3.3Å; F202-H246 CarbonylContact O-C 3.47Å; M244-H246 PolarHBondContact O-N 3.47Å; H246-I248 PolarHBondContact O-N 3.19Å; H246-R249 PolarHBondContact O-N 2.93Å; H246-K250 PolarHBondContact O-N 2.95Å; H246-K281 HydrophobicContact CB-CD 3.78Å; H246-K281 HydrophobicContact CB-CG 4.48Å; H246-K281 PolarHBondContact NE2-NZ 2.82Å
247	Q	97.6	Very high	97.6	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-53.8	-53.6	-174.5	-178.1	179.1	-18.9	0	0	112.3	F199 F202 M244 L245 R249 K250 M251	F199-Q247 HydrophobicContact CB-CG 4.39Å; F199-Q247 HydrophobicContact CD1-CG 3.86Å; F199-Q247 VanDerWaalsContact CD1-NE2 3.29Å; F199-Q247 HydrophobicContact CE1-CG 4.48Å; F199-Q247 HydrophobicContact CG-CG 4.27Å; F199-Q247 VanDerWaalsContact CG-NE2 3.3Å; F202-Q247 HydrophobicContact CB-CB 4.49Å; F202-Q247 HydrophobicContact CB-CG 4.02Å; F202-Q247 WeakPolarHBondContact O-CA 3.29Å; F202-Q247 PolarHBondContact O-N 3.05Å; M244-Q247 HydrophobicContact CB-CB 4.19Å; M244-Q247 VanDerWaalsContact O-CB 3.26Å; M244-Q247 WeakPolarHBondContact O-CB 3.33Å; M244-Q247 PolarHBondContact O-N 3.46Å; L245-Q247 PolarHBondContact O-N 3.21Å; L245-Q247 VanDerWaalsContact O-N 3.15Å; Q247-R249 PolarHBondContact O-N 2.95Å; Q247-K250 PolarHBondContact O-N 3.38Å; Q247-M251 HydrophobicContact CG-CG 4.42Å; Q247-M251 HydrophobicContact CG-SD 3.85Å; Q247-M251 VanDerWaalsContact O-CG 3.28Å; Q247-M251 WeakPolarHBondContact O-CG 3.28Å; Q247-M251 PolarHBondContact O-N 3.08Å
248	I	97.9	Very high	97.6	Very high	8 Å²	8	19 Å²	19	4%	0.041	10%	0.095	C	C	.	.	H	α-helix	trans	-59.1	-47.7	-179.3	-66.6	156.3	0	0	0	110.7	Y152 I238 F243 H246 K250 M251 I252 L287	Y152-I248 HydrophobicContact CD1-CD1 3.73Å; Y152-I248 HydrophobicContact CD2-CD1 3.44Å; Y152-I248 VanDerWaalsContact CD2-CD1 3.44Å; Y152-I248 HydrophobicContact CE1-CD1 4.29Å; Y152-I248 HydrophobicContact CE2-CD1 4.03Å; Y152-I248 HydrophobicContact CG-CD1 3.26Å; I238-I248 HydrophobicContact CD1-CG2 4.12Å; F243-I248 HydrophobicContact CB-CD1 4.29Å; F243-I248 HydrophobicContact CD1-CD1 3.86Å; F243-I248 HydrophobicContact CD1-CG1 3.63Å; F243-I248 HydrophobicContact CD2-CD1 4.04Å; F243-I248 HydrophobicContact CE1-CD1 4.12Å; F243-I248 HydrophobicContact CE1-CG1 3.86Å; F243-I248 HydrophobicContact CE2-CD1 4.31Å; F243-I248 HydrophobicContact CG-CD1 3.8Å; F243-I248 HydrophobicContact CG-CG1 4.07Å; F243-I248 HydrophobicContact CZ-CD1 4.33Å; F243-I248 HydrophobicContact CZ-CG1 4.5Å; H246-I248 PolarHBondContact O-N 3.19Å; I248-K250 VanDerWaalsContact C-N 3.26Å; I248-K250 PolarHBondContact O-N 2.92Å; I248-M251 WeakPolarHBondContact O-CB 3.2Å; I248-M251 PolarHBondContact O-N 3.44Å; I248-I252 HydrophobicContact CG2-CG1 4.29Å; I248-I252 WeakPolarHBondContact O-CG1 3.46Å; I248-I252 PolarHBondContact O-N 3.32Å; I248-L287 HydrophobicContact CB-CD1 4.2Å; I248-L287 HydrophobicContact CD1-CD1 4.35Å; I248-L287 HydrophobicContact CG2-CD1 3.58Å
249	R	97.9	Very high	97.5	Very high	42 Å²	42	20.6 Å²	20.6	16%	0.158	10%	0.103	C	C	.	.	H	α-helix	trans	-62	-32.9	-180	-67.9	176	61	-179	-1.5	112.9	Y154 H246 Q247 G253 K281 A282 P283 G284 L287	Y154-R249 HydrophobicContact CE2-CG 4.47Å; H246-R249 PolarHBondContact O-N 2.93Å; Q247-R249 PolarHBondContact O-N 2.95Å; R249-G253 PolarHBondContact O-N 3.28Å; R249-K281 HydrophobicContact CB-CG 3.84Å; R249-A282 PolarHBondContact NE-O 2.83Å; R249-A282 PolarHBondContact NH2-O 2.79Å; R249-A282 VanDerWaalsContact O-CB 3.29Å; R249-A282 WeakPolarHBondContact O-CB 3.31Å; R249-A282 PolarHBondContact O-N 2.75Å; R249-P283 VanDerWaalsContact CZ-C 3.47Å; R249-P283 PolarHBondContact NE-O 3.39Å; R249-P283 VanDerWaalsContact NE-O 3.14Å; R249-G284 VanDerWaalsContact CZ-N 3.26Å; R249-G284 VanDerWaalsContact NH2-N 3.12Å; R249-L287 HydrophobicContact CG-CD2 3.99Å
250	K	98.4	Very high	97.4	Very high	22 Å²	22	21.9 Å²	21.9	10%	0.096	11%	0.107	C	C	.	.	H	α-helix	trans	-76.5	-34	173.7	-77.7	-171.8	161.4	-170.1	0	112.7	N201 F202 H246 Q247 I248 G253 L254 I279 P280 K281	N201-K250 WeakPolarHBondContact O-CD 3.23Å; N201-K250 PolarHBondContact O-NZ 3.27Å; F202-K250 VanDerWaalsContact C-CD 3.47Å; F202-K250 HydrophobicContact CB-CB 4.2Å; F202-K250 HydrophobicContact CD1-CB 3.83Å; F202-K250 HydrophobicContact CG-CB 4.44Å; F202-K250 WeakPolarHBondContact O-CD 3.45Å; H246-K250 PolarHBondContact O-N 2.95Å; Q247-K250 PolarHBondContact O-N 3.38Å; I248-K250 VanDerWaalsContact C-N 3.26Å; I248-K250 PolarHBondContact O-N 2.92Å; K250-G253 PolarHBondContact O-N 2.94Å; K250-L254 WeakPolarHBondContact O-CB 3.21Å; K250-L254 PolarHBondContact O-N 3.4Å; K250-I279 HydrophobicContact CB-CD1 4.05Å; K250-I279 HydrophobicContact CD-CD1 4.2Å; K250-I279 HydrophobicContact CD-CG1 4.16Å; K250-P280 WeakPolarHBondContact CA-O 3.09Å; K250-K281 HydrophobicContact CG-CB 4.06Å; K250-K281 HydrophobicContact CG-CG 4.34Å
251	M	98.8	Very high	97.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62.4	-47.4	171.9	-67	165.9	71.7	0	0	110.9	Y193 F199 F202 I217 I238 Q247 I248 A255	Y193-M251 HydrophobicContact CD1-CE 3.81Å; Y193-M251 HydrophobicContact CD1-CG 4.11Å; Y193-M251 HydrophobicContact CD2-CE 3.92Å; Y193-M251 HydrophobicContact CE1-CB 4.12Å; Y193-M251 HydrophobicContact CE1-CE 4.48Å; Y193-M251 HydrophobicContact CE1-CG 3.93Å; Y193-M251 HydrophobicContact CE2-CB 4.06Å; Y193-M251 HydrophobicContact CG-CE 3.51Å; Y193-M251 WeakPolarHBondContact OH-CA 3.44Å; Y193-M251 PolarHBondContact OH-O 3.19Å; F199-M251 HydrophobicContact CD1-SD 4.49Å; F199-M251 HydrophobicContact CE1-CE 4.18Å; F199-M251 HydrophobicContact CE1-CG 4.07Å; F199-M251 HydrophobicContact CE1-SD 3.89Å; F202-M251 HydrophobicContact CD1-CB 4.44Å; F202-M251 HydrophobicContact CD1-CG 3.7Å; F202-M251 HydrophobicContact CE1-CG 3.97Å; I217-M251 HydrophobicContact CD1-CE 4.15Å; I217-M251 HydrophobicContact CD1-SD 4.49Å; I217-M251 HydrophobicContact CG1-CE 4.13Å; I238-M251 HydrophobicContact CD1-CB 4.38Å; I238-M251 HydrophobicContact CD1-CE 3.88Å; I238-M251 HydrophobicContact CD1-SD 4.31Å; I238-M251 HydrophobicContact CG2-CE 3.99Å; Q247-M251 HydrophobicContact CG-CG 4.42Å; Q247-M251 HydrophobicContact CG-SD 3.85Å; Q247-M251 VanDerWaalsContact O-CG 3.28Å; Q247-M251 WeakPolarHBondContact O-CG 3.28Å; Q247-M251 PolarHBondContact O-N 3.08Å; I248-M251 WeakPolarHBondContact O-CB 3.2Å; I248-M251 PolarHBondContact O-N 3.44Å; M251-A255 WeakPolarHBondContact O-CB 3.24Å; M251-A255 PolarHBondContact O-N 3.1Å
252	I	98.7	Very high	97.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60.6	-47.1	173.2	-60.2	-58.9	0	0	0	110.1	Y154 I236 I238 I248 L254 A255 L256 A282	Y154-I252 HydrophobicContact CD1-CG1 4.39Å; Y154-I252 HydrophobicContact CD1-CG2 4.01Å; Y154-I252 HydrophobicContact CD2-CG1 4.05Å; Y154-I252 HydrophobicContact CE1-CG2 3.97Å; Y154-I252 HydrophobicContact CG-CD1 4.32Å; Y154-I252 HydrophobicContact CG-CG1 3.91Å; Y154-I252 HydrophobicContact CG-CG2 4.34Å; I236-I252 HydrophobicContact CB-CD1 3.62Å; I236-I252 HydrophobicContact CD1-CD1 3.72Å; I236-I252 HydrophobicContact CG1-CD1 4.27Å; I236-I252 HydrophobicContact CG2-CD1 3.38Å; I238-I252 HydrophobicContact CD1-CD1 4.17Å; I248-I252 HydrophobicContact CG2-CG1 4.29Å; I248-I252 WeakPolarHBondContact O-CG1 3.46Å; I248-I252 PolarHBondContact O-N 3.32Å; I252-L254 PolarHBondContact O-N 3.44Å; I252-A255 PolarHBondContact O-N 2.82Å; I252-L256 HydrophobicContact CG2-CD1 3.83Å; I252-L256 HydrophobicContact CG2-CG 4.16Å; I252-L256 WeakPolarHBondContact O-CG 3.37Å; I252-L256 PolarHBondContact O-N 3.08Å; I252-A282 HydrophobicContact CB-CB 4.09Å; I252-A282 HydrophobicContact CG2-CB 3.83Å
253	G	98.6	Very high	97.3	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-53.2	-51.6	179.6	0	0	0	0	0	113.3	R249 K250 L256 A257 P280	R249-G253 PolarHBondContact O-N 3.28Å; K250-G253 PolarHBondContact O-N 2.94Å; G253-L256 PolarHBondContact O-N 3.32Å; G253-A257 PolarHBondContact O-N 3.04Å; G253-P280 WeakPolarHBondContact O-CG 3.48Å
254	L	98.8	Very high	97.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-67	-39.9	179.4	-178.7	62.4	0	0	0	112.5	F202 K250 I252 L256 A257 V258 V267 F268 V271 I279 Y353	F202-L254 HydrophobicContact CE1-CD2 4.07Å; F202-L254 HydrophobicContact CZ-CD2 3.9Å; K250-L254 WeakPolarHBondContact O-CB 3.21Å; K250-L254 PolarHBondContact O-N 3.4Å; I252-L254 PolarHBondContact O-N 3.44Å; L254-L256 PolarHBondContact O-N 3.5Å; L254-A257 PolarHBondContact O-N 3.19Å; L254-V258 PolarHBondContact O-N 3.05Å; L254-V258 VanDerWaalsContact O-N 3.1Å; L254-V267 HydrophobicContact CD1-CB 4.48Å; L254-V267 HydrophobicContact CD1-CG1 3.7Å; L254-V267 HydrophobicContact CD1-CG2 4Å; L254-V267 HydrophobicContact CD2-CG1 4.3Å; L254-V267 HydrophobicContact CG-CG1 4.27Å; L254-F268 HydrophobicContact CD2-CE1 4.4Å; L254-F268 HydrophobicContact CD2-CE2 4.38Å; L254-F268 HydrophobicContact CD2-CZ 4.16Å; L254-F268 HydrophobicContact CG-CE2 4.46Å; L254-F268 HydrophobicContact CG-CZ 4.42Å; L254-V271 HydrophobicContact CD2-CB 4.36Å; L254-V271 HydrophobicContact CD2-CG1 4.2Å; L254-V271 HydrophobicContact CD2-CG2 3.96Å; L254-I279 HydrophobicContact CD1-CG2 3.92Å; L254-I279 HydrophobicContact CD2-CG2 4.35Å; L254-Y353 HydrophobicContact CD1-CD1 4.14Å
255	A	98.6	Very high	97.4	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.008	15%	0.15	C	C	.	.	H	α-helix	trans	-61.3	-45.7	177.5	0	0	0	0	0	111.4	L189 L190 Y193 M251 I252 A257 V258 L259	L189-A255 HydrophobicContact CD2-CB 4.21Å; L190-A255 HydrophobicContact CD2-CB 4.17Å; Y193-A255 HydrophobicContact CE2-CB 4.43Å; M251-A255 WeakPolarHBondContact O-CB 3.24Å; M251-A255 PolarHBondContact O-N 3.1Å; I252-A255 PolarHBondContact O-N 2.82Å; A255-A257 VanDerWaalsContact C-N 3.35Å; A255-A257 PolarHBondContact O-N 2.7Å; A255-V258 PolarHBondContact O-N 3.44Å; A255-L259 WeakPolarHBondContact O-CD1 3.29Å; A255-L259 VanDerWaalsContact O-CG 3.27Å; A255-L259 WeakPolarHBondContact O-CG 3.49Å; A255-L259 PolarHBondContact O-N 2.8Å
256	L	98.6	Very high	97.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64.1	-38.7	176.9	-64.4	-178.2	0	0	0	112	L156 A160 L161 I252 G253 L254 V258 L259 R260 M341 W344 L345	L156-L256 HydrophobicContact CD1-CD1 4.31Å; L156-L256 HydrophobicContact CD1-CD2 4.05Å; A160-L256 HydrophobicContact CB-CD1 4.42Å; A160-L256 HydrophobicContact CB-CD2 4.48Å; L161-L256 HydrophobicContact CD2-CD2 3.41Å; L161-L256 VanDerWaalsContact CD2-CD2 3.41Å; L161-L256 HydrophobicContact CG-CD2 4.21Å; I252-L256 HydrophobicContact CG2-CD1 3.83Å; I252-L256 HydrophobicContact CG2-CG 4.16Å; I252-L256 WeakPolarHBondContact O-CG 3.37Å; I252-L256 PolarHBondContact O-N 3.08Å; G253-L256 PolarHBondContact O-N 3.32Å; L254-L256 PolarHBondContact O-N 3.5Å; L256-V258 VanDerWaalsContact C-N 3.33Å; L256-V258 PolarHBondContact O-N 3.06Å; L256-L259 HydrophobicContact CD2-CD1 4.44Å; L256-L259 PolarHBondContact O-N 3.39Å; L256-R260 WeakPolarHBondContact O-CB 3.16Å; L256-R260 VanDerWaalsContact O-CG 3.24Å; L256-R260 WeakPolarHBondContact O-CG 3.5Å; L256-R260 PolarHBondContact O-N 3.34Å; L256-M341 HydrophobicContact CD1-SD 4.18Å; L256-W344 HydrophobicContact CB-CH2 4.36Å; L256-W344 HydrophobicContact CB-CZ3 4.48Å; L256-W344 HydrophobicContact CD1-CH2 3.99Å; L256-W344 HydrophobicContact CD1-CZ3 3.64Å; L256-L345 HydrophobicContact CD1-CD2 4.47Å
257	A	98.5	Very high	97.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.3	-41.5	175.4	0	0	0	0	0	113	G253 L254 A255 G261 Y262 A263 P280 L348 Y353	G253-A257 PolarHBondContact O-N 3.04Å; L254-A257 PolarHBondContact O-N 3.19Å; A255-A257 VanDerWaalsContact C-N 3.35Å; A255-A257 PolarHBondContact O-N 2.7Å; A257-G261 PolarHBondContact O-N 3.29Å; A257-Y262 PolarHBondContact O-N 3.02Å; A257-A263 HydrophobicContact CB-CB 4.28Å; A257-A263 PolarHBondContact O-N 3.41Å; A257-P280 HydrophobicContact CB-CG 4.45Å; A257-L348 HydrophobicContact CB-CD2 4.44Å; A257-Y353 HydrophobicContact CB-CD1 4.23Å; A257-Y353 HydrophobicContact CB-CE1 3.27Å; A257-Y353 WeakPolarHBondContact CB-OH 3.35Å
258	V	98	Very high	97.8	Very high	19 Å²	19	26.2 Å²	26.2	12%	0.115	15%	0.15	C	C	.	.	H	α-helix	trans	-68.5	-47.4	177.2	173.4	0	0	0	0	111.4	L189 L254 A255 L256 R260 G261 A263 E265 V267 F268	L189-V258 HydrophobicContact CD1-CB 4.49Å; L189-V258 HydrophobicContact CD1-CG1 3.94Å; L189-V258 HydrophobicContact CD2-CB 3.92Å; L189-V258 HydrophobicContact CD2-CG1 3.9Å; L254-V258 PolarHBondContact O-N 3.05Å; L254-V258 VanDerWaalsContact O-N 3.1Å; A255-V258 PolarHBondContact O-N 3.44Å; L256-V258 VanDerWaalsContact C-N 3.33Å; L256-V258 PolarHBondContact O-N 3.06Å; V258-R260 PolarHBondContact O-N 3.36Å; V258-G261 PolarHBondContact O-N 3.09Å; V258-A263 WeakPolarHBondContact CA-O 3.23Å; V258-A263 HydrophobicContact CG2-CB 3.83Å; V258-E265 HydrophobicContact CG1-CG 3.77Å; V258-V267 HydrophobicContact CG2-CG1 4.07Å; V258-F268 HydrophobicContact CG2-CE2 4.26Å
259	L	96.9	Very high	97.7	Very high	34 Å²	34	32 Å²	32	18%	0.178	18%	0.181	C	C	.	.	H	α-helix	trans	-60.6	-33.4	-179.9	-68.9	163.8	0	0	0	112.6	L161 V186 L189 A255 L256	L161-L259 HydrophobicContact CD2-CD1 3.6Å; V186-L259 HydrophobicContact CB-CD1 4.49Å; V186-L259 HydrophobicContact CG1-CD1 4.3Å; V186-L259 HydrophobicContact CG2-CD1 3.79Å; V186-L259 HydrophobicContact CG2-CD2 3.98Å; L189-L259 HydrophobicContact CD2-CD1 4.29Å; L189-L259 HydrophobicContact CD2-CD2 4.06Å; L189-L259 HydrophobicContact CD2-CG 3.76Å; A255-L259 WeakPolarHBondContact O-CD1 3.29Å; A255-L259 VanDerWaalsContact O-CG 3.27Å; A255-L259 WeakPolarHBondContact O-CG 3.49Å; A255-L259 PolarHBondContact O-N 2.8Å; L256-L259 HydrophobicContact CD2-CD1 4.44Å; L256-L259 PolarHBondContact O-N 3.39Å
260	R	95.9	Very high	97.6	Very high	34 Å²	34	32 Å²	32	13%	0.128	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	2.3	178.3	-63.3	-169.5	74.7	74.3	9.9	114.3	F159 A160 S162 A164 L256 V258 Y262	F159-R260 PolarHBondContact O-NH1 2.83Å; A160-R260 PolarHBondContact O-NH1 2.94Å; S162-R260 WeakPolarHBondContact O-CG 3.33Å; S162-R260 PolarHBondContact O-NH1 2.6Å; S162-R260 PolarHBondContact OG-NH1 2.65Å; A164-R260 WeakPolarHBondContact CB-O 3.17Å; L256-R260 WeakPolarHBondContact O-CB 3.16Å; L256-R260 VanDerWaalsContact O-CG 3.24Å; L256-R260 WeakPolarHBondContact O-CG 3.5Å; L256-R260 PolarHBondContact O-N 3.34Å; V258-R260 PolarHBondContact O-N 3.36Å; R260-Y262 VanDerWaalsContact C-N 3.35Å; R260-Y262 HydrophobicContact CB-CD2 3.77Å; R260-Y262 HydrophobicContact CB-CE2 3.95Å; R260-Y262 PolarHBondContact O-N 2.72Å
261	G	96	Very high	97.6	Very high	54 Å²	54	31 Å²	31	56%	0.557	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.8	11.4	176	0	0	0	0	0	115.9	A257 V258 A263	A257-G261 PolarHBondContact O-N 3.29Å; V258-G261 PolarHBondContact O-N 3.09Å; G261-A263 VanDerWaalsContact C-N 3.33Å
262	Y	96.6	Very high	97.6	Very high	96 Å²	96	32.7 Å²	32.7	38%	0.376	19%	0.187	S	C	.	.	S	Bend	trans	-76.2	-24.7	172.5	-69	-75.4	0	0	0	112.5	A257 R260 L348 Y353	A257-Y262 PolarHBondContact O-N 3.02Å; R260-Y262 VanDerWaalsContact C-N 3.35Å; R260-Y262 HydrophobicContact CB-CD2 3.77Å; R260-Y262 HydrophobicContact CB-CE2 3.95Å; R260-Y262 PolarHBondContact O-N 2.72Å; Y262-L348 HydrophobicContact CD1-CB 4.26Å; Y262-L348 HydrophobicContact CD2-CB 3.5Å; Y262-L348 HydrophobicContact CD2-CD1 3.83Å; Y262-L348 HydrophobicContact CD2-CG 4.33Å; Y262-L348 HydrophobicContact CE1-CB 4.4Å; Y262-L348 HydrophobicContact CE2-CB 3.67Å; Y262-L348 HydrophobicContact CE2-CD1 3.99Å; Y262-L348 HydrophobicContact CE2-CG 4.45Å; Y262-L348 HydrophobicContact CG-CB 3.81Å; Y262-Y353 VanDerWaalsContact O-CD2 3.29Å; Y262-Y353 WeakPolarHBondContact O-CD2 3.46Å; Y262-Y353 WeakPolarHBondContact O-CE2 3.31Å
263	A	97.5	Very high	97.4	Very high	10 Å²	10	34.6 Å²	34.6	8%	0.083	20%	0.2	C	C	.	.	S	Bend	trans	-131.1	152.1	175	0	0	0	0	0	110	A257 V258 G261 Y353	A257-A263 HydrophobicContact CB-CB 4.28Å; A257-A263 PolarHBondContact O-N 3.41Å; V258-A263 WeakPolarHBondContact CA-O 3.23Å; V258-A263 HydrophobicContact CG2-CB 3.83Å; G261-A263 VanDerWaalsContact C-N 3.33Å; A263-Y353 HydrophobicContact CB-CD1 3.67Å; A263-Y353 HydrophobicContact CB-CD2 4.01Å; A263-Y353 HydrophobicContact CB-CE1 4.14Å; A263-Y353 HydrophobicContact CB-CE2 4.48Å; A263-Y353 HydrophobicContact CB-CG 3.58Å
264	T	96.9	Very high	97	Very high	101 Å²	101	42.4 Å²	42.4	62%	0.62	23%	0.234	S	C	*	.			trans	-91.4	162.4	168.6	67.8	0	0	0	0	110	A266 V267	T264-A266 PolarHBondContact O-N 2.75Å; T264-A266 VanDerWaalsContact O-N 3.08Å; T264-V267 VanDerWaalsContact O-CG1 3.25Å; T264-V267 WeakPolarHBondContact O-CG1 3.34Å; T264-V267 PolarHBondContact O-N 2.73Å
265	E	97.2	Very high	96.7	Very high	60 Å²	60	43.9 Å²	43.9	28%	0.28	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-17.3	175.2	-79.2	-176.3	-127.9	0	0	114.1	R188 L189 K192 V258 V267 F268	R188-E265 IonicContact CZ-OE1 2.95Å; R188-E265 IonicContact CZ-OE2 3.71Å; R188-E265 IonicContact NH1-OE1 3.68Å; R188-E265 PolarHBondContact NH1-OE1 2.59Å; R188-E265 IonicContact NH1-OE2 3.71Å; R188-E265 PolarHBondContact NH1-OE2 3.08Å; R188-E265 IonicContact NH2-OE1 2.75Å; R188-E265 PolarHBondContact NH2-OE1 3.11Å; R188-E265 IonicContact NH2-OE2 3.5Å; L189-E265 HydrophobicContact CD1-CG 3.87Å; K192-E265 WeakPolarHBondContact CE-OE2 3.42Å; K192-E265 IonicContact NZ-OE2 3.96Å; K192-E265 PolarHBondContact NZ-OE2 3.2Å; V258-E265 HydrophobicContact CG1-CG 3.77Å; E265-V267 PolarHBondContact O-N 3.28Å; E265-V267 VanDerWaalsContact O-N 3.16Å; E265-F268 WeakPolarHBondContact O-CB 3.23Å; E265-F268 PolarHBondContact O-N 2.8Å; E265-F268 VanDerWaalsContact O-N 3.07Å
266	A	97.1	Very high	96.5	Very high	51 Å²	51	44.9 Å²	44.9	42%	0.421	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-19.9	176.9	0	0	0	0	0	113	T264 F268 D269	T264-A266 PolarHBondContact O-N 2.75Å; T264-A266 VanDerWaalsContact O-N 3.08Å; A266-F268 PolarHBondContact O-N 3.42Å; A266-D269 WeakPolarHBondContact O-CB 3.39Å; A266-D269 PolarHBondContact O-N 3.31Å
267	V	98.1	Very high	96.4	Very high	5 Å²	5	45 Å²	45	3%	0.03	25%	0.251	C	S	.	.	H	α-helix	trans	-58.1	-28.8	172.9	71.3	0	0	0	0	112.1	L254 V258 T264 E265 D269 I270 V271 I277 Y353	L254-V267 HydrophobicContact CD1-CB 4.48Å; L254-V267 HydrophobicContact CD1-CG1 3.7Å; L254-V267 HydrophobicContact CD1-CG2 4Å; L254-V267 HydrophobicContact CD2-CG1 4.3Å; L254-V267 HydrophobicContact CG-CG1 4.27Å; V258-V267 HydrophobicContact CG2-CG1 4.07Å; T264-V267 VanDerWaalsContact O-CG1 3.25Å; T264-V267 WeakPolarHBondContact O-CG1 3.34Å; T264-V267 PolarHBondContact O-N 2.73Å; E265-V267 PolarHBondContact O-N 3.28Å; E265-V267 VanDerWaalsContact O-N 3.16Å; V267-D269 PolarHBondContact O-N 2.9Å; V267-I270 VanDerWaalsContact O-CG1 3.31Å; V267-I270 WeakPolarHBondContact O-CG1 3.38Å; V267-I270 PolarHBondContact O-N 2.73Å; V267-V271 VanDerWaalsContact O-CB 3.3Å; V267-V271 WeakPolarHBondContact O-CB 3.21Å; V267-V271 PolarHBondContact O-N 2.9Å; V267-I277 HydrophobicContact CG2-CG2 4.28Å; V267-Y353 WeakPolarHBondContact CG2-O 3.34Å
268	F	98.1	Very high	96.3	Very high	14 Å²	14	45.9 Å²	45.9	6%	0.061	26%	0.255	C	S	.	.	H	α-helix	trans	-68.5	-20.4	177.5	-78	-91.2	0	0	0	113.4	L189 K192 Y193 L254 V258 E265 A266 I270 V271 F272	L189-F268 HydrophobicContact CD1-CD2 4.41Å; L189-F268 HydrophobicContact CD1-CE2 3.69Å; L189-F268 HydrophobicContact CD1-CZ 4.19Å; L189-F268 HydrophobicContact CG-CE2 4.46Å; K192-F268 HydrophobicContact CB-CD1 3.58Å; K192-F268 HydrophobicContact CB-CE1 3.66Å; K192-F268 HydrophobicContact CB-CG 4.16Å; K192-F268 HydrophobicContact CB-CZ 4.31Å; K192-F268 HydrophobicContact CD-CB 3.85Å; K192-F268 HydrophobicContact CD-CD1 3.77Å; K192-F268 HydrophobicContact CD-CD2 3.56Å; K192-F268 HydrophobicContact CD-CE1 4.16Å; K192-F268 HydrophobicContact CD-CE2 3.99Å; K192-F268 HydrophobicContact CD-CG 3.44Å; K192-F268 VanDerWaalsContact CD-CG 3.44Å; K192-F268 HydrophobicContact CD-CZ 4.26Å; K192-F268 HydrophobicContact CG-CD1 4.35Å; K192-F268 HydrophobicContact CG-CG 4.45Å; Y193-F268 HydrophobicContact CD1-CE1 4.06Å; Y193-F268 AromaticContact CE1-CE1 3.54Å; Y193-F268 HydrophobicContact CE1-CE1 3.54Å; Y193-F268 HydrophobicContact CE1-CZ 4.13Å; Y193-F268 HydrophobicContact CE2-CE1 4.16Å; Y193-F268 HydrophobicContact CE2-CZ 4.14Å; Y193-F268 AromaticContact CZ-CE1 3.59Å; Y193-F268 AromaticContact CZ-CZ 3.7Å; L254-F268 HydrophobicContact CD2-CE1 4.4Å; L254-F268 HydrophobicContact CD2-CE2 4.38Å; L254-F268 HydrophobicContact CD2-CZ 4.16Å; L254-F268 HydrophobicContact CG-CE2 4.46Å; L254-F268 HydrophobicContact CG-CZ 4.42Å; V258-F268 HydrophobicContact CG2-CE2 4.26Å; E265-F268 WeakPolarHBondContact O-CB 3.23Å; E265-F268 PolarHBondContact O-N 2.8Å; E265-F268 VanDerWaalsContact O-N 3.07Å; A266-F268 PolarHBondContact O-N 3.42Å; F268-I270 VanDerWaalsContact C-N 3.25Å; F268-I270 PolarHBondContact O-N 2.94Å; F268-V271 HydrophobicContact CD1-CG1 4.36Å; F268-F272 HydrophobicContact CD1-CE2 4.03Å; F268-F272 HydrophobicContact CD1-CZ 4.32Å
269	D	96.1	Very high	96.3	Very high	130 Å²	130	45.3 Å²	45.3	70%	0.695	25%	0.251	S	S	*	.	H	α-helix	trans	-73.4	-22.7	176.7	-55.9	-30.1	0	0	0	111.5	A266 V267	A266-D269 WeakPolarHBondContact O-CB 3.39Å; A266-D269 PolarHBondContact O-N 3.31Å; V267-D269 PolarHBondContact O-N 2.9Å
270	I	97	Very high	96.3	Very high	41 Å²	41	43.7 Å²	43.7	21%	0.21	24%	0.243	C	C	.	.	H	α-helix	trans	-115.2	-22.9	-176.2	64.9	174.3	0	0	0	113.7	V267 F268 F272 S273 I277 F355	V267-I270 VanDerWaalsContact O-CG1 3.31Å; V267-I270 WeakPolarHBondContact O-CG1 3.38Å; V267-I270 PolarHBondContact O-N 2.73Å; F268-I270 VanDerWaalsContact C-N 3.25Å; F268-I270 PolarHBondContact O-N 2.94Å; I270-F272 VanDerWaalsContact C-N 3.29Å; I270-F272 PolarHBondContact O-N 2.81Å; I270-S273 WeakPolarHBondContact O-CB 3.45Å; I270-S273 PolarHBondContact O-N 3.22Å; I270-S273 PolarHBondContact O-OG 2.96Å; I270-I277 HydrophobicContact CB-CD1 4.25Å; I270-I277 HydrophobicContact CD1-CD1 3.8Å; I270-I277 HydrophobicContact CD1-CG1 4.39Å; I270-I277 HydrophobicContact CD1-CG2 4.42Å; I270-I277 HydrophobicContact CG1-CD1 4.05Å; I270-I277 HydrophobicContact CG1-CG1 4.21Å; I270-F355 HydrophobicContact CB-CZ 4.46Å; I270-F355 HydrophobicContact CD1-CE2 4.33Å; I270-F355 HydrophobicContact CD1-CZ 4.4Å; I270-F355 HydrophobicContact CG2-CZ 4.11Å
271	V	98	Very high	96.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-68.1	-26.9	-171.3	77.3	0	0	0	0	113.6	N201 F202 L254 V267 F268 I279	N201-V271 HydrophobicContact CB-CG2 4.06Å; N201-V271 PolarHBondContact ND2-O 3.3Å; F202-V271 HydrophobicContact CD2-CG2 4.49Å; F202-V271 HydrophobicContact CE2-CB 4.31Å; F202-V271 HydrophobicContact CE2-CG1 3.94Å; F202-V271 HydrophobicContact CE2-CG2 3.52Å; F202-V271 HydrophobicContact CZ-CB 4.32Å; F202-V271 HydrophobicContact CZ-CG1 3.83Å; F202-V271 HydrophobicContact CZ-CG2 3.52Å; L254-V271 HydrophobicContact CD2-CB 4.36Å; L254-V271 HydrophobicContact CD2-CG1 4.2Å; L254-V271 HydrophobicContact CD2-CG2 3.96Å; V267-V271 VanDerWaalsContact O-CB 3.3Å; V267-V271 WeakPolarHBondContact O-CB 3.21Å; V267-V271 PolarHBondContact O-N 2.9Å; F268-V271 HydrophobicContact CD1-CG1 4.36Å; V271-I279 HydrophobicContact CG2-CD1 4.13Å; V271-I279 HydrophobicContact CG2-CG2 4Å
272	F	97.7	Very high	96.5	Very high	37 Å²	37	43.1 Å²	43.1	16%	0.162	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	1.7	173.8	-55.3	-57.4	0	0	0	113.3	Y193 H197 F199 F202 F268 I270	Y193-F272 HydrophobicContact CD1-CE1 4.38Å; Y193-F272 AromaticContact CD1-CZ 3.84Å; Y193-F272 HydrophobicContact CD1-CZ 3.84Å; Y193-F272 HydrophobicContact CE1-CZ 4.22Å; H197-F272 HydrophobicContact CB-CB 4.35Å; H197-F272 HydrophobicContact CB-CD1 3.5Å; H197-F272 VanDerWaalsContact CB-CD1 3.5Å; H197-F272 HydrophobicContact CB-CD2 4.38Å; H197-F272 HydrophobicContact CB-CE1 3.75Å; H197-F272 HydrophobicContact CB-CG 3.83Å; H197-F272 HydrophobicContact CB-CZ 4.29Å; H197-F272 AromaticContact CG-CD1 4Å; H197-F272 AromaticContact ND1-CD2 3.7Å; H197-F272 AromaticContact ND1-CE2 3.96Å; H197-F272 AromaticContact ND1-CG 3.92Å; F199-F272 HydrophobicContact CD1-CE1 4.24Å; F199-F272 AromaticContact CE1-CE1 3.87Å; F199-F272 HydrophobicContact CE1-CE1 3.87Å; F199-F272 HydrophobicContact CZ-CE1 4.07Å; F202-F272 HydrophobicContact CD2-CE1 4.39Å; F202-F272 AromaticContact CE2-CD1 3.84Å; F202-F272 HydrophobicContact CE2-CD1 3.84Å; F202-F272 AromaticContact CE2-CE1 3.53Å; F202-F272 HydrophobicContact CE2-CE1 3.53Å; F202-F272 HydrophobicContact CE2-CZ 4.45Å; F202-F272 AromaticContact CZ-CE1 3.95Å; F202-F272 HydrophobicContact CZ-CE1 3.95Å; F202-F272 HydrophobicContact CZ-CZ 4.48Å; F268-F272 HydrophobicContact CD1-CE2 4.03Å; F268-F272 HydrophobicContact CD1-CZ 4.32Å; I270-F272 VanDerWaalsContact C-N 3.29Å; I270-F272 PolarHBondContact O-N 2.81Å
273	S	94.8	Very high	96.4	Very high	39 Å²	39	39.3 Å²	39.3	27%	0.273	21%	0.213	S	C	.	.	S	Bend	trans	-73.9	177.2	177	82.8	0	0	0	0	111.7	I270 A275	I270-S273 WeakPolarHBondContact O-CB 3.45Å; I270-S273 PolarHBondContact O-N 3.22Å; I270-S273 PolarHBondContact O-OG 2.96Å; S273-A275 VanDerWaalsContact C-N 3.26Å; S273-A275 PolarHBondContact O-N 3.45Å; S273-A275 PolarHBondContact OG-N 3.01Å
274	K	91.1	Very high	96.3	Very high	164 Å²	164	39.9 Å²	39.9	71%	0.713	22%	0.219	S	C	*	.	S	Bend	trans	-77.9	-12	176.4	-64.5	-176.4	-178.8	174.9	0	113.9	V208	V208-K274 HydrophobicContact CG2-CB 3.72Å; V208-K274 HydrophobicContact CG2-CG 3.83Å
275	A	92.6	Very high	96.2	Very high	31 Å²	31	37 Å²	37	26%	0.256	20%	0.2	S	C	.	.	S	Bend	trans	-76.4	152.6	179.5	0	0	0	0	0	110.9	N201 S273 I277 F355	N201-A275 PolarHBondContact ND2-O 3.19Å; N201-A275 PolarHBondContact OD1-O 2.87Å; S273-A275 VanDerWaalsContact C-N 3.26Å; S273-A275 PolarHBondContact O-N 3.45Å; S273-A275 PolarHBondContact OG-N 3.01Å; A275-I277 HydrophobicContact CB-CD1 4.23Å; A275-I277 PolarHBondContact O-N 2.85Å; A275-F355 HydrophobicContact CB-CD1 3.51Å; A275-F355 HydrophobicContact CB-CE1 3.51Å
276	R	94.3	Very high	96.1	Very high	22 Å²	22	34.4 Å²	34.4	8%	0.083	19%	0.189	C	C	.	.			trans	-81	117.4	176.2	-164.6	63.2	166.3	165.2	4.3	109	Y200 N201 T203 F355 R356 S360	Y200-R276 HydrophobicContact CE1-CB 4.43Å; Y200-R276 VanDerWaalsContact CE1-CD 3.49Å; Y200-R276 VanDerWaalsContact CZ-NH1 3.31Å; Y200-R276 PolarHBondContact O-NH1 3.38Å; Y200-R276 WeakPolarHBondContact OH-CD 3.01Å; N201-R276 WeakPolarHBondContact OD1-CA 3.41Å; N201-R276 WeakPolarHBondContact OD1-CD 3.49Å; T203-R276 PolarHBondContact O-NH2 2.8Å; T203-R276 VanDerWaalsContact O-NH2 3.11Å; R276-F355 CarbonylContact O-C 3.42Å; R276-F355 WeakPolarHBondContact O-CA 3.46Å; R276-R356 HydrophobicContact CB-CB 4.34Å; R276-R356 HydrophobicContact CG-CB 4.24Å; R276-R356 PolarHBondContact O-N 2.94Å; R276-S360 PolarHBondContact NE-OG 2.99Å; R276-S360 PolarHBondContact NH2-OG 2.7Å
277	I	96.3	Very high	96.2	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.021	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-109.3	136.5	-179.9	-51.9	-52.5	0	0	0	109.5	N201 V267 I270 A275 I279 S354 F355	N201-I277 PolarHBondContact OD1-N 3.26Å; V267-I277 HydrophobicContact CG2-CG2 4.28Å; I270-I277 HydrophobicContact CB-CD1 4.25Å; I270-I277 HydrophobicContact CD1-CD1 3.8Å; I270-I277 HydrophobicContact CD1-CG1 4.39Å; I270-I277 HydrophobicContact CD1-CG2 4.42Å; I270-I277 HydrophobicContact CG1-CD1 4.05Å; I270-I277 HydrophobicContact CG1-CG1 4.21Å; A275-I277 HydrophobicContact CB-CD1 4.23Å; A275-I277 PolarHBondContact O-N 2.85Å; I277-I279 HydrophobicContact CG2-CG2 4.07Å; I277-I279 PolarHBondContact O-N 3.31Å; I277-S354 WeakPolarHBondContact CA-O 3.49Å; I277-F355 HydrophobicContact CD1-CD1 3.71Å; I277-F355 HydrophobicContact CD1-CE1 3.98Å; I277-F355 HydrophobicContact CD1-CG 4.21Å
278	D	96.1	Very high	96.2	Very high	17 Å²	17	32.3 Å²	32.3	9%	0.091	17%	0.171	C	C	.	.			trans	-79	112.4	175.5	-173.7	24	0	0	0	110.9	H351 T352 Y353 S354 R356	D278-H351 IonicContact OD1-CE1 3.11Å; D278-H351 IonicContact OD1-ND1 3.2Å; D278-H351 PolarHBondContact OD1-ND1 2.95Å; D278-H351 WeakPolarHBondContact OD2-CA 3.32Å; D278-H351 IonicContact OD2-CG 2.94Å; D278-H351 IonicContact OD2-ND1 3.68Å; D278-H351 PolarHBondContact OD2-ND1 3.45Å; D278-T352 WeakPolarHBondContact CB-OG1 3.38Å; D278-T352 PolarHBondContact OD2-N 3.38Å; D278-T352 PolarHBondContact OD2-OG1 2.98Å; D278-Y353 VanDerWaalsContact O-CA 3.3Å; D278-Y353 WeakPolarHBondContact O-CA 3.5Å; D278-Y353 PolarHBondContact O-N 2.79Å; D278-S354 PolarHBondContact N-O 3.18Å; D278-R356 HydrophobicContact CB-CG 3.66Å; D278-R356 IonicContact OD1-NE 3.95Å
279	I	97.7	Very high	96.2	Very high	8 Å²	8	31.7 Å²	31.7	4%	0.041	17%	0.168	C	C	.	.			trans	-133.8	143.1	176.9	64.4	175.8	0	0	0	110.8	N201 F202 K250 L254 V271 I277	N201-I279 HydrophobicContact CB-CD1 4.38Å; N201-I279 WeakPolarHBondContact O-CD1 3.5Å; F202-I279 HydrophobicContact CD1-CD1 3.62Å; F202-I279 HydrophobicContact CD2-CD1 4.31Å; F202-I279 HydrophobicContact CE1-CD1 3.65Å; F202-I279 HydrophobicContact CE2-CD1 4.36Å; F202-I279 HydrophobicContact CG-CD1 3.96Å; F202-I279 HydrophobicContact CZ-CD1 4.04Å; K250-I279 HydrophobicContact CB-CD1 4.05Å; K250-I279 HydrophobicContact CD-CD1 4.2Å; K250-I279 HydrophobicContact CD-CG1 4.16Å; L254-I279 HydrophobicContact CD1-CG2 3.92Å; L254-I279 HydrophobicContact CD2-CG2 4.35Å; V271-I279 HydrophobicContact CG2-CD1 4.13Å; V271-I279 HydrophobicContact CG2-CG2 4Å; I277-I279 HydrophobicContact CG2-CG2 4.07Å; I277-I279 PolarHBondContact O-N 3.31Å
280	P	97.7	Very high	96.3	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.138	C	C	.	.			trans	-74.2	159	-176.7	32.6	-38.5	0	0	0	111.5	K250 G253 A257 W344 L348 Y353	K250-P280 WeakPolarHBondContact CA-O 3.09Å; G253-P280 WeakPolarHBondContact O-CG 3.48Å; A257-P280 HydrophobicContact CB-CG 4.45Å; P280-W344 HydrophobicContact CB-CZ2 3.99Å; P280-W344 HydrophobicContact CG-CZ2 4.42Å; P280-L348 HydrophobicContact CB-CD2 3.77Å; P280-L348 HydrophobicContact CG-CD2 3.67Å; P280-Y353 HydrophobicContact CG-CE1 4.04Å
281	K	97.1	Very high	96.4	Very high	76 Å²	76	26 Å²	26	33%	0.33	14%	0.137	S	C	.	.			trans	-113.3	111.3	173	-178.7	175.7	68.3	-178	0	108.3	H246 R249 K250 W344	H246-K281 HydrophobicContact CB-CD 3.78Å; H246-K281 HydrophobicContact CB-CG 4.48Å; H246-K281 PolarHBondContact NE2-NZ 2.82Å; R249-K281 HydrophobicContact CB-CG 3.84Å; K250-K281 HydrophobicContact CG-CB 4.06Å; K250-K281 HydrophobicContact CG-CG 4.34Å; K281-W344 PolarHBondContact O-NE1 2.89Å; K281-W344 VanDerWaalsContact O-NE1 3.12Å
282	A	97.8	Very high	96.4	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.137	C	C	.	.			trans	-55.7	159.1	177.7	0	0	0	0	0	112.1	Y154 R249 I252 W344	Y154-A282 HydrophobicContact CE2-CB 4.34Å; R249-A282 PolarHBondContact NE-O 2.83Å; R249-A282 PolarHBondContact NH2-O 2.79Å; R249-A282 VanDerWaalsContact O-CB 3.29Å; R249-A282 WeakPolarHBondContact O-CB 3.31Å; R249-A282 PolarHBondContact O-N 2.75Å; I252-A282 HydrophobicContact CB-CB 4.09Å; I252-A282 HydrophobicContact CG2-CB 3.83Å; A282-W344 VanDerWaalsContact CA-CZ2 3.41Å; A282-W344 HydrophobicContact CB-CH2 3.95Å; A282-W344 HydrophobicContact CB-CZ2 4.04Å; A282-W344 HydrophobicContact CB-CZ3 4.39Å
283	P	96.3	Very high	96.5	Very high	16 Å²	16	25.4 Å²	25.4	10%	0.104	14%	0.135	C	C	.	.			trans	-54.1	160.4	175.7	-27.8	37.2	0	0	0	113.6	Y154 R249 M341 W344	Y154-P283 WeakPolarHBondContact CE2-O 3.33Å; Y154-P283 WeakPolarHBondContact OH-CD 3.2Å; Y154-P283 PolarHBondContact OH-O 3.33Å; R249-P283 VanDerWaalsContact CZ-C 3.47Å; R249-P283 PolarHBondContact NE-O 3.39Å; R249-P283 VanDerWaalsContact NE-O 3.14Å; P283-M341 HydrophobicContact CG-CE 4.33Å; P283-M341 HydrophobicContact CG-SD 4.48Å; P283-W344 VanDerWaalsContact CD-CD2 3.48Å; P283-W344 HydrophobicContact CG-CB 3.73Å; P283-W344 HydrophobicContact CG-CD2 4.04Å; P283-W344 HydrophobicContact CG-CE3 4.23Å; P283-W344 HydrophobicContact CG-CG 3.79Å
284	G	93.5	Very high	96.6	Very high	21 Å²	21	23.6 Å²	23.6	22%	0.216	12%	0.123	C	C	.	.	S	Bend	trans	-86.3	-22.1	-177.9	0	0	0	0	0	113.3	R249 G286 L287	R249-G284 VanDerWaalsContact CZ-N 3.26Å; R249-G284 VanDerWaalsContact NH2-N 3.12Å; G284-G286 PolarHBondContact O-N 2.88Å; G284-L287 PolarHBondContact O-N 3.01Å
285	L	95.3	Very high	96.9	Very high	42 Å²	42	18.1 Å²	18.1	22%	0.22	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-44.1	-166.8	-176.6	63.4	0	0	0	113	L287 I331 I334 E335	L285-L287 VanDerWaalsContact C-N 3.33Å; L285-L287 PolarHBondContact O-N 3.23Å; L285-I331 HydrophobicContact CD1-CG1 4.31Å; L285-I331 HydrophobicContact CD2-CG2 4.43Å; L285-I331 HydrophobicContact CG-CG1 4.35Å; L285-I331 HydrophobicContact CG-CG2 4.13Å; L285-I331 WeakPolarHBondContact O-CD1 3.15Å; L285-I331 WeakPolarHBondContact O-CG1 3.41Å; L285-I334 HydrophobicContact CD1-CB 4.05Å; L285-I334 HydrophobicContact CD1-CG2 3.95Å; L285-I334 HydrophobicContact CD2-CB 4Å; L285-I334 HydrophobicContact CD2-CG2 3.75Å; L285-E335 HydrophobicContact CD2-CB 3.85Å
286	G	96.5	Very high	97	Very high	4 Å²	4	23.2 Å²	23.2	4%	0.041	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-11.8	-177.3	0	0	0	0	0	115.5	Y154 L155 G284	Y154-G286 CarbonylContact C-O 3.52Å; Y154-G286 VanDerWaalsContact CA-O 3.32Å; Y154-G286 WeakPolarHBondContact CA-O 3.29Å; L155-G286 PolarHBondContact N-O 3.02Å; L155-G286 VanDerWaalsContact O-CA 3.23Å; L155-G286 WeakPolarHBondContact O-CA 3.39Å; G284-G286 PolarHBondContact O-N 2.88Å
287	L	97.9	Very high	97.2	Very high	13 Å²	13	22.8 Å²	22.8	7%	0.068	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	129.4	-172.6	-178.7	67	0	0	0	111.6	V100 Y152 Y154 I248 R249 G284 L285	V100-L287 HydrophobicContact CG1-CD2 4.49Å; V100-L287 HydrophobicContact CG1-CG 4.3Å; V100-L287 HydrophobicContact CG2-CB 4.4Å; V100-L287 HydrophobicContact CG2-CD2 4.08Å; V100-L287 HydrophobicContact CG2-CG 4.37Å; Y152-L287 HydrophobicContact CD1-CD1 3.78Å; Y152-L287 HydrophobicContact CD1-CG 4.29Å; Y152-L287 HydrophobicContact CG-CD1 4.45Å; Y154-L287 HydrophobicContact CD2-CB 4.01Å; Y154-L287 HydrophobicContact CD2-CD1 4.28Å; Y154-L287 HydrophobicContact CE2-CB 4.27Å; I248-L287 HydrophobicContact CB-CD1 4.2Å; I248-L287 HydrophobicContact CD1-CD1 4.35Å; I248-L287 HydrophobicContact CG2-CD1 3.58Å; R249-L287 HydrophobicContact CG-CD2 3.99Å; G284-L287 PolarHBondContact O-N 3.01Å; L285-L287 VanDerWaalsContact C-N 3.33Å; L285-L287 PolarHBondContact O-N 3.23Å
288	M	98.3	Very high	97.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	148.3	171.6	65.4	-163.9	79.7	0	0	112.3	S101 L103 Y152 D153 L155 N290 V327 Y328 I331	S101-M288 WeakPolarHBondContact O-CA 3.22Å; L103-M288 HydrophobicContact CD1-SD 4.13Å; Y152-M288 WeakPolarHBondContact CA-O 3.26Å; Y152-M288 VanDerWaalsContact CD1-O 3.24Å; Y152-M288 WeakPolarHBondContact CD1-O 3.3Å; D153-M288 HydrophobicContact CB-CG 3.89Å; D153-M288 HydrophobicContact CB-SD 4.43Å; D153-M288 PolarHBondContact N-O 3.13Å; D153-M288 PolarHBondContact O-N 2.97Å; L155-M288 HydrophobicContact CB-CE 3.95Å; M288-N290 PolarHBondContact O-N 3.17Å; M288-V327 HydrophobicContact CE-CG1 3.77Å; M288-V327 HydrophobicContact SD-CG1 3.85Å; M288-Y328 HydrophobicContact CE-CD1 4.2Å; M288-Y328 HydrophobicContact CE-CE1 3.74Å; M288-Y328 HydrophobicContact SD-CE1 3.83Å; M288-I331 HydrophobicContact CE-CD1 3.54Å
289	L	98.6	Very high	97.2	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	109.7	166.9	172.8	66.6	0	0	0	108.1	S101 A102 L103 Q105 R150 Y152 V292	S101-L289 PolarHBondContact O-N 3.14Å; A102-L289 CarbonylContact C-O 3.56Å; A102-L289 VanDerWaalsContact CA-O 3.24Å; A102-L289 WeakPolarHBondContact CA-O 3.46Å; A102-L289 HydrophobicContact CB-CB 3.84Å; A102-L289 HydrophobicContact CB-CD2 4.02Å; A102-L289 HydrophobicContact CB-CG 4.27Å; L103-L289 PolarHBondContact N-O 3.37Å; Q105-L289 HydrophobicContact CB-CD2 4.23Å; R150-L289 HydrophobicContact CB-CD1 4.3Å; Y152-L289 HydrophobicContact CD1-CB 4.23Å; Y152-L289 HydrophobicContact CD2-CD1 4.08Å; Y152-L289 HydrophobicContact CE1-CB 3.8Å; Y152-L289 HydrophobicContact CE1-CD1 4.27Å; Y152-L289 HydrophobicContact CE2-CD1 3.67Å; L289-V292 HydrophobicContact CD1-CG1 4.19Å; L289-V292 HydrophobicContact CD2-CG1 4.18Å
290	N	98.5	Very high	97.1	Very high	11 Å²	11	33.7 Å²	33.7	6%	0.059	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	-58.9	175.6	-177	-71.5	0	0	0	109.9	L103 G104 I151 D153 R237 M288 R319	L103-N290 CarbonylContact C-O 3.49Å; L103-N290 VanDerWaalsContact C-O 3.26Å; L103-N290 WeakPolarHBondContact CB-O 3.39Å; G104-N290 WeakPolarHBondContact CA-O 3.25Å; G104-N290 PolarHBondContact N-O 3.37Å; I151-N290 HydrophobicContact CB-CB 4.34Å; I151-N290 HydrophobicContact CG2-CB 4.07Å; I151-N290 WeakPolarHBondContact O-CA 3.32Å; I151-N290 WeakPolarHBondContact O-CB 3.28Å; I151-N290 PolarHBondContact O-N 3.05Å; D153-N290 HydrophobicContact CB-CB 4.5Å; D153-N290 PolarHBondContact OD2-ND2 2.92Å; R237-N290 PolarHBondContact NH2-ND2 3.5Å; M288-N290 PolarHBondContact O-N 3.17Å; N290-R319 PolarHBondContact O-NH2 3.45Å; N290-R319 PolarHBondContact OD1-NH2 3.33Å
291	Q	98.4	Very high	97	Very high	41 Å²	41	36.6 Å²	36.6	19%	0.192	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	156.4	176.7	61.1	-171.6	48.1	0	0	113.4	G104 I151 W312	G104-Q291 CarbonylContact O-C 3.58Å; G104-Q291 WeakPolarHBondContact O-CA 3.46Å; I151-Q291 HydrophobicContact CB-CG 4.21Å; I151-Q291 HydrophobicContact CD1-CG 3.95Å; I151-Q291 HydrophobicContact CG1-CG 4.29Å; I151-Q291 PolarHBondContact N-O 3.14Å; I151-Q291 PolarHBondContact O-N 3.21Å; Q291-W312 HydrophobicContact CB-CD2 4.45Å; Q291-W312 HydrophobicContact CB-CG 4.26Å
292	V	98.6	Very high	96.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	142.7	164.2	-68.9	0	0	0	0	110.9	A93 G104 V106 R150 L289 F294 W312	A93-V292 HydrophobicContact CB-CB 4.09Å; A93-V292 HydrophobicContact CB-CG1 3.75Å; A93-V292 HydrophobicContact CB-CG2 3.86Å; G104-V292 WeakPolarHBondContact O-CG2 3.42Å; G104-V292 PolarHBondContact O-N 2.87Å; V106-V292 HydrophobicContact CB-CG2 3.98Å; V106-V292 HydrophobicContact CG2-CG2 3.75Å; R150-V292 HydrophobicContact CG-CG1 3.8Å; L289-V292 HydrophobicContact CD1-CG1 4.19Å; L289-V292 HydrophobicContact CD2-CG1 4.18Å; V292-F294 HydrophobicContact CB-CE2 4.18Å; V292-F294 HydrophobicContact CG2-CD2 4.38Å; V292-F294 HydrophobicContact CG2-CE2 3.48Å; V292-F294 VanDerWaalsContact CG2-CE2 3.48Å; V292-F294 HydrophobicContact CG2-CZ 4.07Å; V292-W312 HydrophobicContact CG2-CZ2 4.12Å; V292-W312 PolarHBondContact O-NE1 3.29Å
293	D	98.3	Very high	96.5	Very high	25 Å²	25	43.5 Å²	43.5	13%	0.134	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	143.4	-179.3	177.1	-106.9	0	0	0	112.1	C147 T148 H149 S295	C147-D293 CarbonylContact C-O 3.55Å; C147-D293 WeakPolarHBondContact CA-O 3.45Å; T148-D293 WeakPolarHBondContact CB-OD1 3.46Å; T148-D293 PolarHBondContact N-O 3.02Å; H149-D293 WeakPolarHBondContact CE1-CB 3.44Å; H149-D293 IonicContact CE1-OD1 2.96Å; H149-D293 PolarHBondContact CE1-OD1 2.84Å; H149-D293 IonicContact CE1-OD2 2.69Å; H149-D293 VanDerWaalsContact ND1-CB 3.29Å; H149-D293 WeakPolarHBondContact ND1-CB 3.47Å; H149-D293 IonicContact ND1-OD1 2.65Å; H149-D293 PolarHBondContact ND1-OD1 2.94Å; H149-D293 VanDerWaalsContact ND1-OD1 3.11Å; H149-D293 PolarHBondContact O-N 3.41Å; D293-S295 WeakPolarHBondContact OD1-CB 3.21Å; D293-S295 PolarHBondContact OD1-N 3.41Å; D293-S295 VanDerWaalsContact OD1-N 3.08Å; D293-S295 PolarHBondContact OD1-OG 2.95Å; D293-S295 PolarHBondContact OD2-N 2.87Å
294	F	98.1	Very high	96.3	Very high	1 Å²	1	45.8 Å²	45.8	0%	0.004	24%	0.238	C	C	.	.			trans	-128	27.1	179	-67.5	-81.2	0	0	0	111.7	A93 V106 F141 S146 C147 V292 Q296 Y297 N298 I310	A93-F294 HydrophobicContact CB-CZ 4.09Å; V106-F294 HydrophobicContact CB-CE2 3.72Å; V106-F294 HydrophobicContact CB-CZ 3.9Å; V106-F294 HydrophobicContact CG1-CE2 4.08Å; V106-F294 HydrophobicContact CG1-CZ 4.04Å; V106-F294 HydrophobicContact CG2-CD2 4.48Å; V106-F294 HydrophobicContact CG2-CE2 3.59Å; V106-F294 HydrophobicContact CG2-CZ 4.29Å; F141-F294 AromaticContact CE2-CD1 3.67Å; F141-F294 HydrophobicContact CE2-CD1 3.67Å; F141-F294 AromaticContact CE2-CE1 3.78Å; F141-F294 HydrophobicContact CE2-CE1 3.78Å; F141-F294 HydrophobicContact CE2-CG 4.49Å; F141-F294 AromaticContact CZ-CD1 3.79Å; F141-F294 HydrophobicContact CZ-CD1 3.79Å; F141-F294 AromaticContact CZ-CE1 3.48Å; F141-F294 HydrophobicContact CZ-CE1 3.48Å; F141-F294 VanDerWaalsContact CZ-CE1 3.48Å; F141-F294 AromaticContact CZ-CZ 3.99Å; F141-F294 HydrophobicContact CZ-CZ 3.99Å; S146-F294 WeakPolarHBondContact O-CD1 3.43Å; C147-F294 HydrophobicContact CB-CE1 3.98Å; C147-F294 HydrophobicContact CB-CZ 4.24Å; V292-F294 HydrophobicContact CB-CE2 4.18Å; V292-F294 HydrophobicContact CG2-CD2 4.38Å; V292-F294 HydrophobicContact CG2-CE2 3.48Å; V292-F294 VanDerWaalsContact CG2-CE2 3.48Å; V292-F294 HydrophobicContact CG2-CZ 4.07Å; F294-Q296 VanDerWaalsContact C-N 3.3Å; F294-Q296 PolarHBondContact O-N 3.3Å; F294-Y297 WeakPolarHBondContact O-CA 3.5Å; F294-Y297 WeakPolarHBondContact O-CB 3.25Å; F294-Y297 PolarHBondContact O-N 3.01Å; F294-N298 PolarHBondContact O-N 3.42Å; F294-I310 HydrophobicContact CB-CB 4.17Å; F294-I310 HydrophobicContact CB-CD1 4.41Å; F294-I310 HydrophobicContact CD1-CD1 4.5Å; F294-I310 HydrophobicContact CD2-CB 4.19Å; F294-I310 HydrophobicContact CD2-CD1 4.25Å; F294-I310 HydrophobicContact CD2-CG2 3.69Å; F294-I310 HydrophobicContact CE2-CG2 4.28Å; F294-I310 HydrophobicContact CG-CB 4.41Å; F294-I310 HydrophobicContact CG-CD1 4.13Å; F294-I310 HydrophobicContact CG-CG2 4.39Å
295	S	96.4	Very high	96	Very high	48 Å²	48	48.7 Å²	48.7	34%	0.336	27%	0.268	S	S	.	.	H	α-helix	trans	-50.5	-45.1	-177.7	54.5	0	0	0	0	113.2	D293 Y297 N298 T299	D293-S295 WeakPolarHBondContact OD1-CB 3.21Å; D293-S295 PolarHBondContact OD1-N 3.41Å; D293-S295 VanDerWaalsContact OD1-N 3.08Å; D293-S295 PolarHBondContact OD1-OG 2.95Å; D293-S295 PolarHBondContact OD2-N 2.87Å; S295-Y297 VanDerWaalsContact C-N 3.35Å; S295-Y297 PolarHBondContact O-N 2.65Å; S295-N298 PolarHBondContact O-N 3.37Å; S295-T299 PolarHBondContact O-N 2.9Å; S295-T299 PolarHBondContact O-OG1 3.27Å; S295-T299 VanDerWaalsContact O-OG1 3.08Å
296	Q	96.5	Very high	95.7	Very high	139 Å²	139	52 Å²	52	65%	0.65	28%	0.284	S	S	*	.	H	α-helix	trans	-63.1	-38.9	177.8	-66.4	-176.6	12.1	0	0	113	T148 F294 K300	T148-Q296 HydrophobicContact CG2-CG 3.92Å; T148-Q296 PolarHBondContact OG1-N 3.15Å; F294-Q296 VanDerWaalsContact C-N 3.3Å; F294-Q296 PolarHBondContact O-N 3.3Å; Q296-K300 PolarHBondContact O-N 2.69Å
297	Y	97.5	Very high	95.5	Very high	12 Å²	12	53 Å²	53	5%	0.047	29%	0.288	C	S	.	.	H	α-helix	trans	-66.1	-45.3	174.7	172.2	-92.7	0	0	0	110.7	V137 T138 F141 F294 S295 K300 Y301 I310	V137-Y297 WeakPolarHBondContact CA-OH 3.27Å; V137-Y297 WeakPolarHBondContact CB-OH 3.44Å; V137-Y297 HydrophobicContact CG1-CE1 4.38Å; T138-Y297 HydrophobicContact CG2-CE2 4.02Å; T138-Y297 PolarHBondContact N-OH 2.89Å; T138-Y297 VanDerWaalsContact N-OH 3.14Å; F141-Y297 HydrophobicContact CB-CE2 4.2Å; F141-Y297 HydrophobicContact CD2-CD1 4.38Å; F141-Y297 AromaticContact CD2-CD2 3.51Å; F141-Y297 HydrophobicContact CD2-CD2 3.51Å; F141-Y297 HydrophobicContact CD2-CE1 4.38Å; F141-Y297 AromaticContact CD2-CE2 3.48Å; F141-Y297 HydrophobicContact CD2-CE2 3.48Å; F141-Y297 VanDerWaalsContact CD2-CE2 3.48Å; F141-Y297 AromaticContact CD2-CG 3.98Å; F141-Y297 HydrophobicContact CD2-CG 3.98Å; F141-Y297 AromaticContact CD2-CZ 3.95Å; F141-Y297 HydrophobicContact CE2-CD1 4.23Å; F141-Y297 HydrophobicContact CE2-CD2 4.02Å; F141-Y297 HydrophobicContact CE2-CE1 4.47Å; F141-Y297 HydrophobicContact CE2-CE2 4.26Å; F141-Y297 HydrophobicContact CE2-CG 4Å; F141-Y297 HydrophobicContact CG-CE2 4.24Å; F294-Y297 WeakPolarHBondContact O-CA 3.5Å; F294-Y297 WeakPolarHBondContact O-CB 3.25Å; F294-Y297 PolarHBondContact O-N 3.01Å; S295-Y297 VanDerWaalsContact C-N 3.35Å; S295-Y297 PolarHBondContact O-N 2.65Å; Y297-K300 PolarHBondContact O-N 2.97Å; Y297-K300 VanDerWaalsContact O-N 3.15Å; Y297-Y301 AromaticContact CD2-CD2 3.4Å; Y297-Y301 HydrophobicContact CD2-CD2 3.4Å; Y297-Y301 AromaticContact CD2-CE2 3.74Å; Y297-Y301 HydrophobicContact CD2-CE2 3.74Å; Y297-Y301 AromaticContact CE2-CD2 3.31Å; Y297-Y301 HydrophobicContact CE2-CD2 3.31Å; Y297-Y301 AromaticContact CE2-CE2 3.77Å; Y297-Y301 HydrophobicContact CE2-CE2 3.77Å; Y297-Y301 HydrophobicContact CE2-CG 4.11Å; Y297-Y301 HydrophobicContact CG-CD2 4.12Å; Y297-Y301 AromaticContact CZ-CD2 3.98Å; Y297-Y301 WeakPolarHBondContact O-CD2 3.36Å; Y297-Y301 PolarHBondContact O-N 3.44Å; Y297-I310 HydrophobicContact CD1-CD1 4.23Å; Y297-I310 HydrophobicContact CE1-CD1 4.21Å; Y297-I310 HydrophobicContact CE1-CG1 4.44Å
298	N	96.8	Very high	95.2	Very high	7 Å²	7	58.4 Å²	58.4	4%	0.037	31%	0.313	C	S	.	.	H	α-helix	trans	-59.9	-49.7	179	-65.7	-11.1	0	0	0	110.5	F294 S295 K300 Y301 Q302 P309 I310 N311	F294-N298 PolarHBondContact O-N 3.42Å; S295-N298 PolarHBondContact O-N 3.37Å; N298-K300 PolarHBondContact O-N 3.05Å; N298-K300 VanDerWaalsContact O-N 3.15Å; N298-Y301 PolarHBondContact O-N 3.08Å; N298-Q302 WeakPolarHBondContact O-CB 3.22Å; N298-Q302 VanDerWaalsContact O-CD 3.29Å; N298-Q302 WeakPolarHBondContact O-CG 3.35Å; N298-Q302 PolarHBondContact O-N 2.88Å; N298-Q302 PolarHBondContact O-NE2 3.04Å; N298-P309 HydrophobicContact CB-CB 4.05Å; N298-P309 WeakPolarHBondContact OD1-CA 3.33Å; N298-I310 PolarHBondContact ND2-O 2.85Å; N298-I310 PolarHBondContact OD1-N 2.98Å; N298-N311 PolarHBondContact ND2-OD1 3.15Å
299	T	96.2	Very high	95	Very high	104 Å²	104	60.4 Å²	60.4	64%	0.638	33%	0.326	S	S	*	.	H	α-helix	trans	-52.8	-39	175.9	-61	0	0	0	0	112.3	S295	S295-T299 PolarHBondContact O-N 2.9Å; S295-T299 PolarHBondContact O-OG1 3.27Å; S295-T299 VanDerWaalsContact O-OG1 3.08Å
300	K	95.6	Very high	94.9	Very high	147 Å²	147	60.5 Å²	60.5	64%	0.639	33%	0.326	S	S	*	.	H	α-helix	trans	-78	-33.9	-176.3	-170.8	172.1	178.6	-170.5	0	114	Q296 Y297 N298	Q296-K300 PolarHBondContact O-N 2.69Å; Y297-K300 PolarHBondContact O-N 2.97Å; Y297-K300 VanDerWaalsContact O-N 3.15Å; N298-K300 PolarHBondContact O-N 3.05Å; N298-K300 VanDerWaalsContact O-N 3.15Å
301	Y	95.8	Very high	94.7	Very high	61 Å²	61	63.5 Å²	63.5	24%	0.239	34%	0.342	C	S	.	.	H	α-helix	trans	-123.6	-16	-167.1	-62.3	-70.3	0	0	0	115.6	T138 Y297 N298 N303 D304	T138-Y301 HydrophobicContact CG2-CD1 3.53Å; T138-Y301 HydrophobicContact CG2-CD2 3.98Å; T138-Y301 HydrophobicContact CG2-CE1 3.65Å; T138-Y301 HydrophobicContact CG2-CE2 4.07Å; T138-Y301 HydrophobicContact CG2-CG 3.71Å; Y297-Y301 AromaticContact CD2-CD2 3.4Å; Y297-Y301 HydrophobicContact CD2-CD2 3.4Å; Y297-Y301 AromaticContact CD2-CE2 3.74Å; Y297-Y301 HydrophobicContact CD2-CE2 3.74Å; Y297-Y301 AromaticContact CE2-CD2 3.31Å; Y297-Y301 HydrophobicContact CE2-CD2 3.31Å; Y297-Y301 AromaticContact CE2-CE2 3.77Å; Y297-Y301 HydrophobicContact CE2-CE2 3.77Å; Y297-Y301 HydrophobicContact CE2-CG 4.11Å; Y297-Y301 HydrophobicContact CG-CD2 4.12Å; Y297-Y301 AromaticContact CZ-CD2 3.98Å; Y297-Y301 WeakPolarHBondContact O-CD2 3.36Å; Y297-Y301 PolarHBondContact O-N 3.44Å; N298-Y301 PolarHBondContact O-N 3.08Å; Y301-N303 PolarHBondContact O-N 3.22Å; Y301-D304 PolarHBondContact O-N 3.15Å; Y301-D304 VanDerWaalsContact O-N 3.14Å; Y301-D304 VanDerWaalsContact O-OD1 3.09Å
302	Q	92.5	Very high	94.7	Very high	75 Å²	75	62.1 Å²	62.1	35%	0.35	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-20.7	-175	73.6	-167	-37.7	0	0	114.3	N298 P309	N298-Q302 WeakPolarHBondContact O-CB 3.22Å; N298-Q302 VanDerWaalsContact O-CD 3.29Å; N298-Q302 WeakPolarHBondContact O-CG 3.35Å; N298-Q302 PolarHBondContact O-N 2.88Å; N298-Q302 PolarHBondContact O-NE2 3.04Å; Q302-P309 HydrophobicContact CB-CB 4Å; Q302-P309 HydrophobicContact CB-CG 4.38Å
303	N	90.9	Very high	94.5	Very high	146 Å²	146	67.1 Å²	67.1	78%	0.781	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	12.9	-177.7	-64.8	-32.4	0	0	0	113	Y301 G305	Y301-N303 PolarHBondContact O-N 3.22Å; N303-G305 VanDerWaalsContact C-N 3.28Å; N303-G305 PolarHBondContact O-N 2.98Å
304	D	92.1	Very high	94.3	Very high	65 Å²	65	72.9 Å²	72.9	35%	0.348	39%	0.394	S	S	.	.	S	Bend	trans	-84.8	0.4	-179.2	76.1	2.2	0	0	0	114.1	Y301 I306 H307	Y301-D304 PolarHBondContact O-N 3.15Å; Y301-D304 VanDerWaalsContact O-N 3.14Å; Y301-D304 VanDerWaalsContact O-OD1 3.09Å; D304-I306 PolarHBondContact O-N 3.41Å; D304-I306 WeakPolarHBondContact OD1-CA 3.17Å; D304-I306 WeakPolarHBondContact OD1-CB 3.36Å; D304-I306 PolarHBondContact OD1-N 3.28Å; D304-H307 PolarHBondContact OD1-N 3.21Å; D304-H307 IonicContact OD1-ND1 2.75Å; D304-H307 PolarHBondContact OD1-ND1 3.39Å; D304-H307 IonicContact OD2-CE1 3.7Å; D304-H307 PolarHBondContact OD2-CE1 2.96Å; D304-H307 IonicContact OD2-CG 3.39Å; D304-H307 IonicContact OD2-ND1 3.51Å; D304-H307 PolarHBondContact OD2-ND1 3.35Å
305	G	88.3	Confident	94.3	Very high	81 Å²	81	73.3 Å²	73.3	84%	0.835	40%	0.396	S	S	*	.	S	Bend	trans	74.2	3	-179.2	0	0	0	0	0	114.7	N303	N303-G305 VanDerWaalsContact C-N 3.28Å; N303-G305 PolarHBondContact O-N 2.98Å
306	I	88.9	Confident	94.4	Very high	111 Å²	111	74.8 Å²	74.8	57%	0.569	40%	0.398	S	S	*	.	S	Bend	trans	-122.8	-45.4	-174.9	-58.6	173.5	0	0	0	111.3	D304	D304-I306 PolarHBondContact O-N 3.41Å; D304-I306 WeakPolarHBondContact OD1-CA 3.17Å; D304-I306 WeakPolarHBondContact OD1-CB 3.36Å; D304-I306 PolarHBondContact OD1-N 3.28Å
307	H	92	Very high	94.4	Very high	25 Å²	25	75.9 Å²	75.9	12%	0.116	40%	0.403	C	S	.	.			trans	-104.1	131.2	-172	-56.9	95.5	0	0	0	111.6	T138 D304	T138-H307 PolarHBondContact N-CD2 2.86Å; T138-H307 PolarHBondContact N-NE2 2.98Å; D304-H307 PolarHBondContact OD1-N 3.21Å; D304-H307 IonicContact OD1-ND1 2.75Å; D304-H307 PolarHBondContact OD1-ND1 3.39Å; D304-H307 IonicContact OD2-CE1 3.7Å; D304-H307 PolarHBondContact OD2-CE1 2.96Å; D304-H307 IonicContact OD2-CG 3.39Å; D304-H307 IonicContact OD2-ND1 3.51Å; D304-H307 PolarHBondContact OD2-ND1 3.35Å
308	Q	90.8	Very high	94.5	Very high	128 Å²	128	79.5 Å²	79.5	60%	0.598	42%	0.42	S	S	*	.			trans	-80.9	149	173.4	-64.8	179.6	-4	0	0	110.5	I135	I135-Q308 HydrophobicContact CG2-CB 4.09Å
309	P	94.5	Very high	94.5	Very high	41 Å²	41	79.5 Å²	79.5	27%	0.266	42%	0.419	S	S	.	.			trans	-70.3	145.4	174.4	30.5	-35	0	0	0	111	N298 Q302 N311	N298-P309 HydrophobicContact CB-CB 4.05Å; N298-P309 WeakPolarHBondContact OD1-CA 3.33Å; Q302-P309 HydrophobicContact CB-CB 4Å; Q302-P309 HydrophobicContact CB-CG 4.38Å; P309-N311 WeakPolarHBondContact CB-ND2 3.31Å; P309-N311 PolarHBondContact O-N 2.99Å
310	I	96.5	Very high	94.6	Very high	3 Å²	3	77 Å²	77	2%	0.015	40%	0.402	C	S	.	.			trans	-87.2	95.4	172	-56.4	171.5	0	0	0	107.3	A41 L43 V106 I135 V137 F141 F294 Y297 N298	A41-I310 HydrophobicContact CB-CD1 3.88Å; L43-I310 HydrophobicContact CD1-CG2 4.19Å; L43-I310 HydrophobicContact CD2-CG2 4.34Å; L43-I310 HydrophobicContact CG-CG2 4.47Å; V106-I310 HydrophobicContact CG2-CG2 4.44Å; I135-I310 HydrophobicContact CD1-CG1 4.48Å; V137-I310 HydrophobicContact CG1-CD1 4.05Å; F141-I310 HydrophobicContact CE1-CD1 4.31Å; F141-I310 HydrophobicContact CE2-CD1 3.69Å; F141-I310 HydrophobicContact CZ-CD1 3.46Å; F141-I310 VanDerWaalsContact CZ-CD1 3.46Å; F294-I310 HydrophobicContact CB-CB 4.17Å; F294-I310 HydrophobicContact CB-CD1 4.41Å; F294-I310 HydrophobicContact CD1-CD1 4.5Å; F294-I310 HydrophobicContact CD2-CB 4.19Å; F294-I310 HydrophobicContact CD2-CD1 4.25Å; F294-I310 HydrophobicContact CD2-CG2 3.69Å; F294-I310 HydrophobicContact CE2-CG2 4.28Å; F294-I310 HydrophobicContact CG-CB 4.41Å; F294-I310 HydrophobicContact CG-CD1 4.13Å; F294-I310 HydrophobicContact CG-CG2 4.39Å; Y297-I310 HydrophobicContact CD1-CD1 4.23Å; Y297-I310 HydrophobicContact CE1-CD1 4.21Å; Y297-I310 HydrophobicContact CE1-CG1 4.44Å; N298-I310 PolarHBondContact ND2-O 2.85Å; N298-I310 PolarHBondContact OD1-N 2.98Å
311	N	95.1	Very high	94.7	Very high	73 Å²	73	76.6 Å²	76.6	39%	0.39	40%	0.402	S	S	.	.			trans	-126.5	134.7	-177.2	-75.4	-31.6	0	0	0	111.3	N298 P309 Y315	N298-N311 PolarHBondContact ND2-OD1 3.15Å; P309-N311 WeakPolarHBondContact CB-ND2 3.31Å; P309-N311 PolarHBondContact O-N 2.99Å; N311-Y315 WeakPolarHBondContact O-CE2 3.41Å
312	W	96.9	Very high	94.9	Very high	12 Å²	12	74 Å²	74	5%	0.045	39%	0.393	C	S	.	.	S	Bend	trans	-80.9	-19.7	-178.4	-64.1	105.7	0	0	0	114.5	L43 G104 Q105 V106 L132 Q291 V292 K314 Y315 E316	L43-W312 HydrophobicContact CB-CH2 3.96Å; L43-W312 HydrophobicContact CB-CZ3 3.96Å; L43-W312 HydrophobicContact CD2-CE3 4.31Å; L43-W312 HydrophobicContact CD2-CH2 4.17Å; L43-W312 HydrophobicContact CD2-CZ3 3.94Å; L43-W312 HydrophobicContact CG-CH2 3.81Å; L43-W312 HydrophobicContact CG-CZ2 4.49Å; L43-W312 HydrophobicContact CG-CZ3 4Å; G104-W312 VanDerWaalsContact CA-CZ2 3.46Å; G104-W312 WeakPolarHBondContact O-CZ2 3.43Å; Q105-W312 WeakPolarHBondContact O-CH2 3.41Å; V106-W312 HydrophobicContact CG2-CH2 3.9Å; V106-W312 HydrophobicContact CG2-CZ2 3.64Å; L132-W312 HydrophobicContact CD1-CZ3 4.06Å; Q291-W312 HydrophobicContact CB-CD2 4.45Å; Q291-W312 HydrophobicContact CB-CG 4.26Å; V292-W312 HydrophobicContact CG2-CZ2 4.12Å; V292-W312 PolarHBondContact O-NE1 3.29Å; W312-K314 PolarHBondContact O-N 2.89Å; W312-K314 VanDerWaalsContact O-N 3.11Å; W312-Y315 HydrophobicContact CE3-CD2 4.29Å; W312-Y315 PolarHBondContact O-N 3.1Å; W312-E316 PolarHBondContact O-N 2.98Å
313	S	95.1	Very high	95.1	Very high	106 Å²	106	72 Å²	72	74%	0.741	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-57.4	-31.3	-173.1	-49.9	0	0	0	0	113.7	Y315	S313-Y315 PolarHBondContact O-N 2.82Å
314	K	94.9	Very high	95.5	Very high	145 Å²	145	68.8 Å²	68.8	63%	0.63	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-65.1	-25.1	176.3	179.5	-177.5	167.8	-161.2	0	112.8	D133 W312	D133-K314 IonicContact OD2-NZ 2.8Å; D133-K314 PolarHBondContact OD2-NZ 3.04Å; D133-K314 VanDerWaalsContact OD2-NZ 3.08Å; W312-K314 PolarHBondContact O-N 2.89Å; W312-K314 VanDerWaalsContact O-N 3.11Å
315	Y	97.6	Very high	95.6	Very high	11 Å²	11	70.5 Å²	70.5	4%	0.043	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-110.6	12.2	-172.8	-41.3	-76.7	0	0	0	113.2	L43 L132 D133 N311 W312 S313 E317 Q318 R319	L43-Y315 HydrophobicContact CD2-CD2 4.23Å; L43-Y315 HydrophobicContact CD2-CE2 3.58Å; L132-Y315 HydrophobicContact CB-CD1 4.05Å; L132-Y315 HydrophobicContact CB-CE1 4.45Å; L132-Y315 HydrophobicContact CB-CG 4.22Å; L132-Y315 HydrophobicContact CD1-CG 4.34Å; D133-Y315 HydrophobicContact CB-CE1 3.8Å; D133-Y315 WeakPolarHBondContact CB-OH 3.48Å; D133-Y315 WeakPolarHBondContact OD2-CE1 3.41Å; D133-Y315 PolarHBondContact OD2-OH 2.97Å; N311-Y315 WeakPolarHBondContact O-CE2 3.41Å; W312-Y315 HydrophobicContact CE3-CD2 4.29Å; W312-Y315 PolarHBondContact O-N 3.1Å; S313-Y315 PolarHBondContact O-N 2.82Å; Y315-E317 VanDerWaalsContact C-N 3.32Å; Y315-E317 PolarHBondContact O-N 3.33Å; Y315-Q318 VanDerWaalsContact CA-OE1 3.3Å; Y315-Q318 PolarHBondContact O-N 3.34Å; Y315-R319 WeakPolarHBondContact O-CB 3.44Å; Y315-R319 VanDerWaalsContact O-CG 3.22Å; Y315-R319 WeakPolarHBondContact O-CG 3.47Å; Y315-R319 PolarHBondContact O-N 2.92Å
316	E	97.6	Very high	96.1	Very high	79 Å²	79	69.2 Å²	69.2	37%	0.369	34%	0.34	S	S	.	.	H	α-helix	trans	-61.7	-39.5	-169.9	-170.7	57.2	-153.7	0	0	112.4	W312 R319 N320	W312-E316 PolarHBondContact O-N 2.98Å; E316-R319 IonicContact OE2-NH1 3.22Å; E316-R319 PolarHBondContact OE2-NH1 3.32Å; E316-N320 VanDerWaalsContact O-CB 3.28Å; E316-N320 WeakPolarHBondContact O-CB 3.47Å; E316-N320 PolarHBondContact O-N 3.07Å; E316-N320 PolarHBondContact O-ND2 2.95Å; E316-N320 PolarHBondContact OE1-ND2 2.82Å
317	E	97.8	Very high	96.5	Very high	162 Å²	162	64 Å²	64	76%	0.757	31%	0.313	S	S	*	.	H	α-helix	trans	-61.6	-53.6	175.6	-175.4	176.6	-170.6	0	0	111.6	Y315 R319 N320 E321	Y315-E317 VanDerWaalsContact C-N 3.32Å; Y315-E317 PolarHBondContact O-N 3.33Å; E317-R319 VanDerWaalsContact C-N 3.3Å; E317-R319 PolarHBondContact O-N 2.85Å; E317-N320 PolarHBondContact O-N 2.78Å; E317-E321 PolarHBondContact O-N 3.06Å
318	Q	98.1	Very high	96.8	Very high	88 Å²	88	63 Å²	63	41%	0.411	31%	0.309	S	S	.	.	H	α-helix	trans	-61.6	-38.8	-179.8	-64.7	139.4	-54.4	0	0	111.9	L132 Y315 F322	L132-Q318 HydrophobicContact CD2-CB 3.91Å; Y315-Q318 VanDerWaalsContact CA-OE1 3.3Å; Y315-Q318 PolarHBondContact O-N 3.34Å; Q318-F322 VanDerWaalsContact O-CB 3.24Å; Q318-F322 WeakPolarHBondContact O-CB 3.38Å; Q318-F322 PolarHBondContact O-N 3.38Å
319	R	98.4	Very high	97	Very high	6 Å²	6	61.9 Å²	61.9	2%	0.023	30%	0.303	C	S	.	.	H	α-helix	trans	-64.9	-40.5	174.8	-73.1	176	68.2	-144.4	4.1	111.6	M45 L103 L132 N290 Y315 E316 E317 K323	M45-R319 HydrophobicContact SD-CG 4.42Å; L103-R319 WeakPolarHBondContact O-CD 3.46Å; L103-R319 WeakPolarHBondContact O-CG 3.37Å; L103-R319 PolarHBondContact O-NE 2.91Å; L132-R319 HydrophobicContact CD1-CG 3.85Å; N290-R319 PolarHBondContact O-NH2 3.45Å; N290-R319 PolarHBondContact OD1-NH2 3.33Å; Y315-R319 WeakPolarHBondContact O-CB 3.44Å; Y315-R319 VanDerWaalsContact O-CG 3.22Å; Y315-R319 WeakPolarHBondContact O-CG 3.47Å; Y315-R319 PolarHBondContact O-N 2.92Å; E316-R319 IonicContact OE2-NH1 3.22Å; E316-R319 PolarHBondContact OE2-NH1 3.32Å; E317-R319 VanDerWaalsContact C-N 3.3Å; E317-R319 PolarHBondContact O-N 2.85Å; R319-K323 WeakPolarHBondContact O-CB 3.36Å; R319-K323 PolarHBondContact O-N 2.78Å
320	N	97.8	Very high	97	Very high	52 Å²	52	61.5 Å²	61.5	28%	0.278	30%	0.298	S	S	.	.	H	α-helix	trans	-70.3	-43.5	180	-76.8	-36.2	0	0	0	111.9	E316 E317 K323 M324	E316-N320 VanDerWaalsContact O-CB 3.28Å; E316-N320 WeakPolarHBondContact O-CB 3.47Å; E316-N320 PolarHBondContact O-N 3.07Å; E316-N320 PolarHBondContact O-ND2 2.95Å; E316-N320 PolarHBondContact OE1-ND2 2.82Å; E317-N320 PolarHBondContact O-N 2.78Å; N320-K323 WeakPolarHBondContact O-CB 3.33Å; N320-K323 PolarHBondContact O-N 2.84Å; N320-K323 WeakPolarHBondContact OD1-CE 3.36Å; N320-K323 PolarHBondContact OD1-NZ 2.87Å; N320-M324 WeakPolarHBondContact O-CG 3.22Å; N320-M324 PolarHBondContact O-N 2.93Å
321	E	98.1	Very high	97.1	Very high	138 Å²	138	61.8 Å²	61.8	65%	0.645	30%	0.299	S	S	*	.	H	α-helix	trans	-57.8	-51.4	172.8	-174.2	-174.2	177.1	0	0	110.8	E317 K323 M324 H325	E317-E321 PolarHBondContact O-N 3.06Å; E321-K323 VanDerWaalsContact C-N 3.33Å; E321-K323 PolarHBondContact O-N 2.88Å; E321-M324 PolarHBondContact O-N 2.74Å; E321-H325 PolarHBondContact O-N 2.83Å
322	F	98.5	Very high	97.1	Very high	7 Å²	7	59.7 Å²	59.7	3%	0.031	29%	0.288	C	S	.	.	H	α-helix	trans	-61.3	-41.6	178.6	-173.1	-84.8	0	0	0	112.4	M45 L103 N128 R130 Q318 Y326 V327	M45-F322 HydrophobicContact CB-CD1 4.16Å; M45-F322 HydrophobicContact CB-CE1 4.28Å; M45-F322 HydrophobicContact CE-CB 3.62Å; M45-F322 HydrophobicContact CE-CD2 3.65Å; M45-F322 HydrophobicContact CE-CG 3.73Å; M45-F322 HydrophobicContact CG-CD1 3.99Å; M45-F322 HydrophobicContact CG-CD2 4.12Å; M45-F322 HydrophobicContact CG-CE1 4.24Å; M45-F322 HydrophobicContact CG-CE2 4.35Å; M45-F322 HydrophobicContact CG-CG 3.93Å; M45-F322 HydrophobicContact CG-CZ 4.42Å; M45-F322 HydrophobicContact SD-CB 3.48Å; M45-F322 WeakPolarHBondContact SD-CB 3.39Å; M45-F322 HydrophobicContact SD-CD1 3.96Å; M45-F322 HydrophobicContact SD-CD2 4.01Å; M45-F322 HydrophobicContact SD-CG 3.54Å; M45-F322 VanDerWaalsContact SD-CG 3.54Å; L103-F322 HydrophobicContact CD2-CD1 3.94Å; N128-F322 WeakPolarHBondContact O-CZ 3.28Å; R130-F322 HydrophobicContact CG-CD2 4.21Å; R130-F322 HydrophobicContact CG-CE2 3.95Å; Q318-F322 VanDerWaalsContact O-CB 3.24Å; Q318-F322 WeakPolarHBondContact O-CB 3.38Å; Q318-F322 PolarHBondContact O-N 3.38Å; F322-Y326 AromaticContact CD2-CD2 3.38Å; F322-Y326 HydrophobicContact CD2-CD2 3.38Å; F322-Y326 AromaticContact CD2-CE2 3.9Å; F322-Y326 HydrophobicContact CD2-CE2 3.9Å; F322-Y326 HydrophobicContact CD2-CG 4.14Å; F322-Y326 AromaticContact CE2-CD2 3.49Å; F322-Y326 HydrophobicContact CE2-CD2 3.49Å; F322-Y326 VanDerWaalsContact CE2-CD2 3.49Å; F322-Y326 HydrophobicContact CE2-CE2 4.02Å; F322-Y326 AromaticContact CE2-CG 3.82Å; F322-Y326 HydrophobicContact CE2-CG 3.82Å; F322-Y326 AromaticContact CG-CD2 3.97Å; F322-Y326 HydrophobicContact CG-CD2 3.97Å; F322-Y326 HydrophobicContact CZ-CD2 4.12Å; F322-Y326 HydrophobicContact CZ-CG 4.04Å; F322-Y326 WeakPolarHBondContact O-CB 3.33Å; F322-Y326 PolarHBondContact O-N 2.99Å; F322-V327 HydrophobicContact CD1-CG2 4.43Å; F322-V327 HydrophobicContact CE1-CG2 4.2Å
323	K	98.2	Very high	97.1	Very high	32 Å²	32	64.1 Å²	64.1	14%	0.139	31%	0.312	C	S	.	.	I	π-helix	trans	-58.9	-46.4	176.6	176.9	179.4	77.3	-164.4	0	111.4	L103 R319 N320 E321 V327 Y328	L103-K323 HydrophobicContact CD1-CB 3.79Å; L103-K323 HydrophobicContact CD1-CD 3.5Å; L103-K323 VanDerWaalsContact CD1-CD 3.5Å; L103-K323 HydrophobicContact CD1-CG 3.6Å; L103-K323 HydrophobicContact CD2-CB 3.71Å; L103-K323 HydrophobicContact CD2-CG 4.28Å; L103-K323 HydrophobicContact CG-CB 4.4Å; R319-K323 WeakPolarHBondContact O-CB 3.36Å; R319-K323 PolarHBondContact O-N 2.78Å; N320-K323 WeakPolarHBondContact O-CB 3.33Å; N320-K323 PolarHBondContact O-N 2.84Å; N320-K323 WeakPolarHBondContact OD1-CE 3.36Å; N320-K323 PolarHBondContact OD1-NZ 2.87Å; E321-K323 VanDerWaalsContact C-N 3.33Å; E321-K323 PolarHBondContact O-N 2.88Å; K323-V327 WeakPolarHBondContact O-CB 3.39Å; K323-V327 PolarHBondContact O-N 3.36Å; K323-Y328 HydrophobicContact CD-CE1 3.88Å; K323-Y328 HydrophobicContact CD-CE2 4.16Å; K323-Y328 HydrophobicContact CG-CD1 3.82Å; K323-Y328 HydrophobicContact CG-CD2 4.41Å; K323-Y328 HydrophobicContact CG-CE1 3.54Å; K323-Y328 HydrophobicContact CG-CE2 4.18Å; K323-Y328 HydrophobicContact CG-CG 4.26Å; K323-Y328 PolarHBondContact O-N 3.31Å
324	M	97.5	Very high	97.1	Very high	79 Å²	79	60.5 Å²	60.5	39%	0.389	28%	0.284	S	S	.	.	I	π-helix	trans	-64.2	-53.9	179.6	-67.9	-56.8	-65.7	0	0	110.4	L228 N320 E321 Y328 E329	L228-M324 HydrophobicContact CD2-CE 3.68Å; N320-M324 WeakPolarHBondContact O-CG 3.22Å; N320-M324 PolarHBondContact O-N 2.93Å; E321-M324 PolarHBondContact O-N 2.74Å; M324-Y328 HydrophobicContact CE-CD2 4.45Å; M324-Y328 HydrophobicContact SD-CD2 3.57Å; M324-Y328 VanDerWaalsContact SD-CD2 3.57Å; M324-Y328 HydrophobicContact SD-CE2 4.16Å; M324-Y328 HydrophobicContact SD-CG 4.37Å; M324-E329 WeakPolarHBondContact O-CG 3.38Å; M324-E329 PolarHBondContact O-N 3.35Å
325	H	96.2	Very high	97.1	Very high	102 Å²	102	53.9 Å²	53.9	47%	0.472	26%	0.255	S	S	.	.	I	π-helix	trans	-76.6	-43.6	-169.5	-168	48.9	0	0	0	114.4	E321 E329	E321-H325 PolarHBondContact O-N 2.83Å; H325-E329 IonicContact CE1-OE2 3.64Å; H325-E329 IonicContact CG-OE2 3.58Å; H325-E329 IonicContact ND1-OE1 3.49Å; H325-E329 IonicContact ND1-OE2 2.74Å; H325-E329 PolarHBondContact ND1-OE2 3.5Å
326	Y	96.9	Very high	96.9	Very high	54 Å²	54	55.5 Å²	55.5	21%	0.212	27%	0.269	C	S	.	.	I	π-helix	trans	-99.7	-11.2	-172.8	-68.5	-80	0	0	0	114.4	S47 E127 N128 F322	S47-Y326 WeakPolarHBondContact CB-O 3.3Å; S47-Y326 PolarHBondContact OG-O 3.28Å; E127-Y326 HydrophobicContact CB-CE1 4.44Å; N128-Y326 HydrophobicContact CB-CD1 3.87Å; N128-Y326 HydrophobicContact CB-CE1 4.21Å; F322-Y326 AromaticContact CD2-CD2 3.38Å; F322-Y326 HydrophobicContact CD2-CD2 3.38Å; F322-Y326 AromaticContact CD2-CE2 3.9Å; F322-Y326 HydrophobicContact CD2-CE2 3.9Å; F322-Y326 HydrophobicContact CD2-CG 4.14Å; F322-Y326 AromaticContact CE2-CD2 3.49Å; F322-Y326 HydrophobicContact CE2-CD2 3.49Å; F322-Y326 VanDerWaalsContact CE2-CD2 3.49Å; F322-Y326 HydrophobicContact CE2-CE2 4.02Å; F322-Y326 AromaticContact CE2-CG 3.82Å; F322-Y326 HydrophobicContact CE2-CG 3.82Å; F322-Y326 AromaticContact CG-CD2 3.97Å; F322-Y326 HydrophobicContact CG-CD2 3.97Å; F322-Y326 HydrophobicContact CZ-CD2 4.12Å; F322-Y326 HydrophobicContact CZ-CG 4.04Å; F322-Y326 WeakPolarHBondContact O-CB 3.33Å; F322-Y326 PolarHBondContact O-N 2.99Å
327	V	97.9	Very high	96.8	Very high	1 Å²	1	59 Å²	59	1%	0.006	28%	0.282	C	S	.	.	I	π-helix	trans	-121.7	-58.4	-175.8	-171.4	0	0	0	0	111.9	L103 M288 F322 K323 H330 I331	L103-V327 HydrophobicContact CD2-CG2 4.06Å; M288-V327 HydrophobicContact CE-CG1 3.77Å; M288-V327 HydrophobicContact SD-CG1 3.85Å; F322-V327 HydrophobicContact CD1-CG2 4.43Å; F322-V327 HydrophobicContact CE1-CG2 4.2Å; K323-V327 WeakPolarHBondContact O-CB 3.39Å; K323-V327 PolarHBondContact O-N 3.36Å; V327-H330 PolarHBondContact O-N 2.81Å; V327-I331 HydrophobicContact CG1-CD1 3.81Å; V327-I331 WeakPolarHBondContact O-CB 3.47Å; V327-I331 VanDerWaalsContact O-CG1 3.25Å; V327-I331 WeakPolarHBondContact O-CG1 3.5Å; V327-I331 PolarHBondContact O-N 3.3Å
328	Y	98	Very high	96.6	Very high	5 Å²	5	55.6 Å²	55.6	2%	0.02	27%	0.267	C	S	.	.	I	π-helix	trans	-70.7	-47.6	-174.6	-77.2	13.8	0	0	0	112.2	L155 F226 L228 I235 M288 K323 M324 H330 I331 D332	L155-Y328 HydrophobicContact CD2-CD1 3.71Å; L155-Y328 HydrophobicContact CD2-CE1 3.99Å; L155-Y328 HydrophobicContact CD2-CG 4.02Å; F226-Y328 AromaticContact CE2-CD2 3.94Å; F226-Y328 HydrophobicContact CE2-CD2 3.94Å; F226-Y328 AromaticContact CE2-CE2 3.78Å; F226-Y328 HydrophobicContact CE2-CE2 3.78Å; F226-Y328 HydrophobicContact CZ-CD2 4.1Å; F226-Y328 AromaticContact CZ-CE2 3.52Å; F226-Y328 HydrophobicContact CZ-CE2 3.52Å; L228-Y328 HydrophobicContact CD1-CD2 4.28Å; L228-Y328 HydrophobicContact CD1-CG 4.35Å; L228-Y328 HydrophobicContact CD2-CD2 4.23Å; I235-Y328 WeakPolarHBondContact CD1-OH 3.36Å; M288-Y328 HydrophobicContact CE-CD1 4.2Å; M288-Y328 HydrophobicContact CE-CE1 3.74Å; M288-Y328 HydrophobicContact SD-CE1 3.83Å; K323-Y328 HydrophobicContact CD-CE1 3.88Å; K323-Y328 HydrophobicContact CD-CE2 4.16Å; K323-Y328 HydrophobicContact CG-CD1 3.82Å; K323-Y328 HydrophobicContact CG-CD2 4.41Å; K323-Y328 HydrophobicContact CG-CE1 3.54Å; K323-Y328 HydrophobicContact CG-CE2 4.18Å; K323-Y328 HydrophobicContact CG-CG 4.26Å; K323-Y328 PolarHBondContact O-N 3.31Å; M324-Y328 HydrophobicContact CE-CD2 4.45Å; M324-Y328 HydrophobicContact SD-CD2 3.57Å; M324-Y328 VanDerWaalsContact SD-CD2 3.57Å; M324-Y328 HydrophobicContact SD-CE2 4.16Å; M324-Y328 HydrophobicContact SD-CG 4.37Å; Y328-H330 PolarHBondContact O-N 2.81Å; Y328-I331 PolarHBondContact O-N 2.88Å; Y328-D332 WeakPolarHBondContact O-CB 3.48Å; Y328-D332 PolarHBondContact O-N 2.9Å
329	E	95.6	Very high	96.4	Very high	103 Å²	103	51.8 Å²	51.8	48%	0.481	25%	0.249	S	C	.	.	H	α-helix	trans	-55.9	-41.1	174.8	-78	174	-165.7	0	0	111.6	M324 H325 L333	M324-E329 WeakPolarHBondContact O-CG 3.38Å; M324-E329 PolarHBondContact O-N 3.35Å; H325-E329 IonicContact CE1-OE2 3.64Å; H325-E329 IonicContact CG-OE2 3.58Å; H325-E329 IonicContact ND1-OE1 3.49Å; H325-E329 IonicContact ND1-OE2 2.74Å; H325-E329 PolarHBondContact ND1-OE2 3.5Å; E329-L333 VanDerWaalsContact O-CB 3.28Å; E329-L333 WeakPolarHBondContact O-CB 3.31Å; E329-L333 PolarHBondContact O-N 3.37Å
330	H	95.1	Very high	96.2	Very high	34 Å²	34	52.8 Å²	52.8	16%	0.157	26%	0.257	C	S	.	.	H	α-helix	trans	-67.4	-45.8	177.3	-175.2	74.5	0	0	0	112.6	W49 V327 Y328 D332 L333 I334	W49-H330 AromaticContact CD1-CD2 3.96Å; W49-H330 AromaticContact CD1-CE1 3.38Å; W49-H330 AromaticContact CD1-NE2 2.9Å; W49-H330 AromaticContact CD2-CE1 3.47Å; W49-H330 VanDerWaalsContact CD2-CE1 3.47Å; W49-H330 AromaticContact CD2-NE2 3.77Å; W49-H330 AromaticContact CE2-CE1 3.35Å; W49-H330 AromaticContact CE2-NE2 3.77Å; W49-H330 AromaticContact CG-CD2 3.99Å; W49-H330 AromaticContact CG-CE1 3.46Å; W49-H330 VanDerWaalsContact CG-CE1 3.46Å; W49-H330 AromaticContact CG-NE2 3.22Å; W49-H330 AromaticContact CZ2-CE1 3.96Å; W49-H330 AromaticContact NE1-CE1 3.3Å; W49-H330 PolarHBondContact NE1-CE1 3.05Å; W49-H330 VanDerWaalsContact NE1-CE1 3.3Å; W49-H330 AromaticContact NE1-NE2 3.26Å; W49-H330 PolarHBondContact NE1-NE2 3.45Å; V327-H330 PolarHBondContact O-N 2.81Å; Y328-H330 PolarHBondContact O-N 2.81Å; H330-D332 VanDerWaalsContact C-N 3.32Å; H330-D332 PolarHBondContact O-N 3.38Å; H330-L333 PolarHBondContact O-N 2.92Å; H330-I334 WeakPolarHBondContact NE2-CG1 3.24Å; H330-I334 WeakPolarHBondContact O-CG1 3.43Å; H330-I334 PolarHBondContact O-N 3.33Å
331	I	96.9	Very high	96.2	Very high	9 Å²	9	50.5 Å²	50.5	5%	0.046	25%	0.245	C	C	.	.	H	α-helix	trans	-60.3	-45	177.2	-71.9	166.4	0	0	0	110.2	L155 L285 M288 V327 Y328 I334 E335	L155-I331 HydrophobicContact CB-CD1 4.5Å; L155-I331 HydrophobicContact CD2-CB 4.08Å; L155-I331 HydrophobicContact CD2-CD1 3.99Å; L155-I331 HydrophobicContact CD2-CG2 3.75Å; L155-I331 HydrophobicContact CG-CG2 4.43Å; L285-I331 HydrophobicContact CD1-CG1 4.31Å; L285-I331 HydrophobicContact CD2-CG2 4.43Å; L285-I331 HydrophobicContact CG-CG1 4.35Å; L285-I331 HydrophobicContact CG-CG2 4.13Å; L285-I331 WeakPolarHBondContact O-CD1 3.15Å; L285-I331 WeakPolarHBondContact O-CG1 3.41Å; M288-I331 HydrophobicContact CE-CD1 3.54Å; V327-I331 HydrophobicContact CG1-CD1 3.81Å; V327-I331 WeakPolarHBondContact O-CB 3.47Å; V327-I331 VanDerWaalsContact O-CG1 3.25Å; V327-I331 WeakPolarHBondContact O-CG1 3.5Å; V327-I331 PolarHBondContact O-N 3.3Å; Y328-I331 PolarHBondContact O-N 2.88Å; I331-I334 PolarHBondContact O-N 3.25Å; I331-E335 WeakPolarHBondContact O-CB 3.47Å; I331-E335 PolarHBondContact O-N 2.91Å
332	D	97	Very high	96.1	Very high	28 Å²	28	45.8 Å²	45.8	15%	0.15	22%	0.222	C	C	.	.	H	α-helix	trans	-64.6	-43.3	179.4	-176.3	55.3	0	0	0	112.2	L228 H231 Y233 Y328 H330 I334 E335 S336	L228-D332 HydrophobicContact CB-CB 4.39Å; L228-D332 HydrophobicContact CD1-CB 4.19Å; H231-D332 IonicContact CE1-OD1 3.8Å; H231-D332 IonicContact CG-OD1 3.2Å; H231-D332 IonicContact ND1-OD1 2.63Å; H231-D332 PolarHBondContact ND1-OD1 2.83Å; H231-D332 IonicContact ND1-OD2 2.89Å; Y233-D332 HydrophobicContact CE2-CB 4.4Å; Y233-D332 WeakPolarHBondContact CE2-OD1 3.2Å; Y233-D332 WeakPolarHBondContact OH-CA 3.43Å; Y233-D332 PolarHBondContact OH-OD1 3.2Å; Y328-D332 WeakPolarHBondContact O-CB 3.48Å; Y328-D332 PolarHBondContact O-N 2.9Å; H330-D332 VanDerWaalsContact C-N 3.32Å; H330-D332 PolarHBondContact O-N 3.38Å; D332-I334 PolarHBondContact O-N 3.24Å; D332-E335 PolarHBondContact O-N 3.36Å; D332-S336 WeakPolarHBondContact O-CB 3.45Å; D332-S336 PolarHBondContact O-N 2.87Å; D332-S336 PolarHBondContact O-OG 3.06Å
333	L	95.5	Very high	96	Very high	106 Å²	106	52.3 Å²	52.3	56%	0.555	25%	0.247	S	C	*	.	H	α-helix	trans	-58.9	-45.2	175.8	178.4	66.1	0	0	0	112.3	E329 H330 S336 K337	E329-L333 VanDerWaalsContact O-CB 3.28Å; E329-L333 WeakPolarHBondContact O-CB 3.31Å; E329-L333 PolarHBondContact O-N 3.37Å; H330-L333 PolarHBondContact O-N 2.92Å; L333-S336 PolarHBondContact O-OG 3.02Å; L333-K337 VanDerWaalsContact O-CB 3.28Å; L333-K337 WeakPolarHBondContact O-CB 3.23Å; L333-K337 PolarHBondContact O-N 2.92Å
334	I	95.5	Very high	96	Very high	29 Å²	29	52.3 Å²	52.3	15%	0.149	25%	0.246	C	C	.	.	H	α-helix	trans	-73.3	-44.1	-179.7	-61.9	-57.7	0	0	0	110.8	L285 H330 I331 D332 K337 E338	L285-I334 HydrophobicContact CD1-CB 4.05Å; L285-I334 HydrophobicContact CD1-CG2 3.95Å; L285-I334 HydrophobicContact CD2-CB 4Å; L285-I334 HydrophobicContact CD2-CG2 3.75Å; H330-I334 WeakPolarHBondContact NE2-CG1 3.24Å; H330-I334 WeakPolarHBondContact O-CG1 3.43Å; H330-I334 PolarHBondContact O-N 3.33Å; I331-I334 PolarHBondContact O-N 3.25Å; D332-I334 PolarHBondContact O-N 3.24Å; I334-K337 PolarHBondContact O-N 3.44Å; I334-E338 HydrophobicContact CG2-CG 4.22Å; I334-E338 VanDerWaalsContact O-CB 3.31Å; I334-E338 WeakPolarHBondContact O-CB 3.41Å; I334-E338 PolarHBondContact O-N 3.49Å
335	E	95.9	Very high	96	Very high	6 Å²	6	48.8 Å²	48.8	3%	0.028	23%	0.228	C	C	.	.	H	α-helix	trans	-67	-41.5	-177.7	-174.6	55.2	-151.8	0	0	111.9	P157 W174 L285 I331 D332 K337 N339 S340 M341	P157-E335 HydrophobicContact CG-CG 3.73Å; W174-E335 HydrophobicContact CH2-CG 3.91Å; W174-E335 HydrophobicContact CZ2-CG 4.07Å; L285-E335 HydrophobicContact CD2-CB 3.85Å; I331-E335 WeakPolarHBondContact O-CB 3.47Å; I331-E335 PolarHBondContact O-N 2.91Å; D332-E335 PolarHBondContact O-N 3.36Å; E335-K337 VanDerWaalsContact C-N 3.32Å; E335-K337 PolarHBondContact O-N 3.23Å; E335-N339 WeakPolarHBondContact O-CA 3.49Å; E335-N339 PolarHBondContact O-N 2.67Å; E335-S340 PolarHBondContact OE1-N 3.14Å; E335-S340 WeakPolarHBondContact OE2-CB 3.05Å; E335-S340 PolarHBondContact OE2-N 3.15Å; E335-S340 PolarHBondContact OE2-OG 3.32Å; E335-M341 WeakPolarHBondContact OE1-CA 3.15Å; E335-M341 WeakPolarHBondContact OE1-CB 3.48Å; E335-M341 PolarHBondContact OE1-N 3.11Å; E335-M341 PolarHBondContact OE2-N 3.34Å
336	S	93.1	Very high	95.9	Very high	46 Å²	46	47.9 Å²	47.9	32%	0.322	23%	0.234	S	C	.	.	H	α-helix	trans	-65.3	-34.2	176	59.9	0	0	0	0	113	H231 D332 L333	H231-S336 VanDerWaalsContact CE1-CB 3.43Å; H231-S336 WeakPolarHBondContact CE1-CB 3.5Å; D332-S336 WeakPolarHBondContact O-CB 3.45Å; D332-S336 PolarHBondContact O-N 2.87Å; D332-S336 PolarHBondContact O-OG 3.06Å; L333-S336 PolarHBondContact O-OG 3.02Å
337	K	94.1	Very high	95.9	Very high	152 Å²	152	47.7 Å²	47.7	66%	0.661	24%	0.238	S	C	*	.	H	α-helix	trans	-78.5	-42.7	178	-176.7	-179.9	179.1	-179.5	0	113.2	L333 I334 E335	L333-K337 VanDerWaalsContact O-CB 3.28Å; L333-K337 WeakPolarHBondContact O-CB 3.23Å; L333-K337 PolarHBondContact O-N 2.92Å; I334-K337 PolarHBondContact O-N 3.44Å; E335-K337 VanDerWaalsContact C-N 3.32Å; E335-K337 PolarHBondContact O-N 3.23Å
338	E	94.1	Very high	95.9	Very high	91 Å²	91	47.6 Å²	47.6	43%	0.425	24%	0.238	S	C	.	.	H	α-helix	trans	-98.6	-15.6	-171.8	-62.6	-174	-175.5	0	0	113.4	I334 S340 R343	I334-E338 HydrophobicContact CG2-CG 4.22Å; I334-E338 VanDerWaalsContact O-CB 3.31Å; I334-E338 WeakPolarHBondContact O-CB 3.41Å; I334-E338 PolarHBondContact O-N 3.49Å; E338-S340 PolarHBondContact O-N 2.86Å; E338-S340 VanDerWaalsContact O-N 3.12Å; E338-R343 WeakPolarHBondContact O-CD 3.32Å; E338-R343 PolarHBondContact O-NE 2.78Å; E338-R343 PolarHBondContact O-NH1 2.51Å
339	N	93.8	Very high	95.8	Very high	7 Å²	7	49.7 Å²	49.7	4%	0.037	26%	0.26	C	S	.	.			trans	44.5	42.6	-174.2	-147.1	3.5	0	0	0	112.1	D170 E335 M341 F342 R343	D170-N339 PolarHBondContact OD1-ND2 3.42Å; E335-N339 WeakPolarHBondContact O-CA 3.49Å; E335-N339 PolarHBondContact O-N 2.67Å; N339-M341 VanDerWaalsContact C-N 3.31Å; N339-M341 PolarHBondContact O-N 3.45Å; N339-F342 HydrophobicContact CB-CB 4.31Å; N339-F342 WeakPolarHBondContact ND2-CB 3.36Å; N339-F342 PolarHBondContact O-N 2.99Å; N339-F342 WeakPolarHBondContact OD1-CB 3.39Å; N339-R343 WeakPolarHBondContact O-CG 3.43Å; N339-R343 PolarHBondContact O-N 3.43Å
340	S	95	Very high	95.8	Very high	28 Å²	28	50.9 Å²	50.9	20%	0.196	27%	0.27	C	S	.	.	H	α-helix	trans	-65.9	-36.3	-164.9	84.3	0	0	0	0	111.8	E335 E338 W344	E335-S340 PolarHBondContact OE1-N 3.14Å; E335-S340 WeakPolarHBondContact OE2-CB 3.05Å; E335-S340 PolarHBondContact OE2-N 3.15Å; E335-S340 PolarHBondContact OE2-OG 3.32Å; E338-S340 PolarHBondContact O-N 2.86Å; E338-S340 VanDerWaalsContact O-N 3.12Å; S340-W344 VanDerWaalsContact O-CB 3.23Å; S340-W344 WeakPolarHBondContact O-CB 3.28Å; S340-W344 PolarHBondContact O-N 3.3Å
341	M	97.5	Very high	95.9	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.02	27%	0.273	C	S	.	.	H	α-helix	trans	-64	-52.7	172.4	-177.5	58.8	69.2	0	0	110.2	Y154 L156 F159 A160 L256 P283 E335 N339 R343 W344 L345	Y154-M341 HydrophobicContact CE1-CE 3.73Å; Y154-M341 WeakPolarHBondContact OH-CE 3.03Å; L156-M341 HydrophobicContact CB-CE 4.18Å; F159-M341 HydrophobicContact CE2-CB 4.27Å; F159-M341 HydrophobicContact CE2-CG 4.02Å; F159-M341 HydrophobicContact CZ-CB 4.34Å; F159-M341 HydrophobicContact CZ-CG 4.49Å; A160-M341 HydrophobicContact CB-CG 3.71Å; A160-M341 HydrophobicContact CB-SD 3.99Å; L256-M341 HydrophobicContact CD1-SD 4.18Å; P283-M341 HydrophobicContact CG-CE 4.33Å; P283-M341 HydrophobicContact CG-SD 4.48Å; E335-M341 WeakPolarHBondContact OE1-CA 3.15Å; E335-M341 WeakPolarHBondContact OE1-CB 3.48Å; E335-M341 PolarHBondContact OE1-N 3.11Å; E335-M341 PolarHBondContact OE2-N 3.34Å; N339-M341 VanDerWaalsContact C-N 3.31Å; N339-M341 PolarHBondContact O-N 3.45Å; M341-R343 VanDerWaalsContact C-N 3.35Å; M341-R343 PolarHBondContact O-N 3.49Å; M341-W344 PolarHBondContact O-N 2.88Å; M341-W344 VanDerWaalsContact O-N 3.1Å; M341-W344 HydrophobicContact SD-CE3 3.57Å; M341-W344 VanDerWaalsContact SD-CE3 3.57Å; M341-W344 HydrophobicContact SD-CZ3 3.72Å; M341-L345 HydrophobicContact CG-CD1 4.09Å; M341-L345 HydrophobicContact CG-CG 4.3Å; M341-L345 VanDerWaalsContact O-CG 3.24Å; M341-L345 WeakPolarHBondContact O-CG 3.16Å; M341-L345 PolarHBondContact O-N 2.85Å; M341-L345 HydrophobicContact SD-CD2 4.31Å; M341-L345 HydrophobicContact SD-CG 4.2Å
342	F	96.3	Very high	95.8	Very high	38 Å²	38	55.4 Å²	55.4	17%	0.167	30%	0.297	C	S	.	.	H	α-helix	trans	-59.1	-45.2	-178	-171.9	-94.8	0	0	0	112.4	F159 L168 N169 D170 C173 N339 W344 L345 S346	F159-F342 HydrophobicContact CD2-CD2 4.27Å; F159-F342 HydrophobicContact CE2-CB 3.85Å; F159-F342 HydrophobicContact CE2-CD2 4.08Å; F159-F342 HydrophobicContact CE2-CG 4.5Å; F159-F342 HydrophobicContact CZ-CB 4.07Å; L168-F342 HydrophobicContact CB-CE2 4.39Å; N169-F342 VanDerWaalsContact C-CZ 3.4Å; D170-F342 HydrophobicContact CB-CE1 4.21Å; C173-F342 HydrophobicContact CB-CD2 3.57Å; C173-F342 HydrophobicContact CB-CE2 3.69Å; N339-F342 HydrophobicContact CB-CB 4.31Å; N339-F342 WeakPolarHBondContact ND2-CB 3.36Å; N339-F342 PolarHBondContact O-N 2.99Å; N339-F342 WeakPolarHBondContact OD1-CB 3.39Å; F342-W344 VanDerWaalsContact C-N 3.34Å; F342-W344 PolarHBondContact O-N 3.38Å; F342-L345 WeakPolarHBondContact O-CB 3.25Å; F342-L345 PolarHBondContact O-N 2.84Å; F342-S346 PolarHBondContact O-N 3.32Å
343	R	96	Very high	95.8	Very high	145 Å²	145	55 Å²	55	55%	0.547	29%	0.294	S	S	.	.	H	α-helix	trans	-64.2	-36.8	175.5	-69	176.8	-175.8	160.5	1.9	112.5	E338 N339 M341 S346	E338-R343 WeakPolarHBondContact O-CD 3.32Å; E338-R343 PolarHBondContact O-NE 2.78Å; E338-R343 PolarHBondContact O-NH1 2.51Å; N339-R343 WeakPolarHBondContact O-CG 3.43Å; N339-R343 PolarHBondContact O-N 3.43Å; M341-R343 VanDerWaalsContact C-N 3.35Å; M341-R343 PolarHBondContact O-N 3.49Å; R343-S346 PolarHBondContact O-OG 3.35Å
344	W	97.6	Very high	95.8	Very high	32 Å²	32	52.3 Å²	52.3	12%	0.121	28%	0.284	C	S	.	.	H	α-helix	trans	-70.4	-37.1	175	169.4	79.7	0	0	0	112	L256 P280 K281 A282 P283 S340 M341 F342 S346 T347 L348	L256-W344 HydrophobicContact CB-CH2 4.36Å; L256-W344 HydrophobicContact CB-CZ3 4.48Å; L256-W344 HydrophobicContact CD1-CH2 3.99Å; L256-W344 HydrophobicContact CD1-CZ3 3.64Å; P280-W344 HydrophobicContact CB-CZ2 3.99Å; P280-W344 HydrophobicContact CG-CZ2 4.42Å; K281-W344 PolarHBondContact O-NE1 2.89Å; K281-W344 VanDerWaalsContact O-NE1 3.12Å; A282-W344 VanDerWaalsContact CA-CZ2 3.41Å; A282-W344 HydrophobicContact CB-CH2 3.95Å; A282-W344 HydrophobicContact CB-CZ2 4.04Å; A282-W344 HydrophobicContact CB-CZ3 4.39Å; P283-W344 VanDerWaalsContact CD-CD2 3.48Å; P283-W344 HydrophobicContact CG-CB 3.73Å; P283-W344 HydrophobicContact CG-CD2 4.04Å; P283-W344 HydrophobicContact CG-CE3 4.23Å; P283-W344 HydrophobicContact CG-CG 3.79Å; S340-W344 VanDerWaalsContact O-CB 3.23Å; S340-W344 WeakPolarHBondContact O-CB 3.28Å; S340-W344 PolarHBondContact O-N 3.3Å; M341-W344 PolarHBondContact O-N 2.88Å; M341-W344 VanDerWaalsContact O-N 3.1Å; M341-W344 HydrophobicContact SD-CE3 3.57Å; M341-W344 VanDerWaalsContact SD-CE3 3.57Å; M341-W344 HydrophobicContact SD-CZ3 3.72Å; F342-W344 VanDerWaalsContact C-N 3.34Å; F342-W344 PolarHBondContact O-N 3.38Å; W344-S346 PolarHBondContact O-N 3.34Å; W344-T347 WeakPolarHBondContact O-CB 3.49Å; W344-T347 PolarHBondContact O-N 3.23Å; W344-T347 PolarHBondContact O-OG1 3.48Å; W344-L348 HydrophobicContact CH2-CD2 3.77Å; W344-L348 HydrophobicContact CH2-CG 4.49Å; W344-L348 HydrophobicContact CZ2-CD2 3.63Å; W344-L348 HydrophobicContact CZ3-CD2 4.43Å
345	L	97.3	Very high	95.7	Very high	5 Å²	5	56.5 Å²	56.5	3%	0.026	30%	0.301	C	S	.	.	H	α-helix	trans	-59.1	-32.8	178	-70.7	171.3	0	0	0	112.6	F159 A160 L256 M341 F342 T347 L348	F159-L345 HydrophobicContact CD2-CD1 4.11Å; F159-L345 HydrophobicContact CE2-CD1 4.07Å; A160-L345 HydrophobicContact CB-CD1 4.01Å; L256-L345 HydrophobicContact CD1-CD2 4.47Å; M341-L345 HydrophobicContact CG-CD1 4.09Å; M341-L345 HydrophobicContact CG-CG 4.3Å; M341-L345 VanDerWaalsContact O-CG 3.24Å; M341-L345 WeakPolarHBondContact O-CG 3.16Å; M341-L345 PolarHBondContact O-N 2.85Å; M341-L345 HydrophobicContact SD-CD2 4.31Å; M341-L345 HydrophobicContact SD-CG 4.2Å; F342-L345 WeakPolarHBondContact O-CB 3.25Å; F342-L345 PolarHBondContact O-N 2.84Å; L345-T347 PolarHBondContact O-N 2.84Å; L345-L348 HydrophobicContact CD2-CD1 3.7Å; L345-L348 WeakPolarHBondContact O-CB 3.26Å; L345-L348 WeakPolarHBondContact O-CG 3.44Å; L345-L348 PolarHBondContact O-N 2.87Å
346	S	94.7	Very high	95.3	Very high	83 Å²	83	62.2 Å²	62.2	58%	0.58	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-15.9	175.8	70.7	0	0	0	0	113.4	F342 R343 W344	F342-S346 PolarHBondContact O-N 3.32Å; R343-S346 PolarHBondContact O-OG 3.35Å; W344-S346 PolarHBondContact O-N 3.34Å
347	T	96.9	Very high	94.3	Very high	49 Å²	49	67.9 Å²	67.9	30%	0.301	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-8.4	175.9	74.5	0	0	0	0	113.4	W344 L345 G349 N350	W344-T347 WeakPolarHBondContact O-CB 3.49Å; W344-T347 PolarHBondContact O-N 3.23Å; W344-T347 PolarHBondContact O-OG1 3.48Å; L345-T347 PolarHBondContact O-N 2.84Å; T347-G349 PolarHBondContact O-N 3.16Å; T347-N350 VanDerWaalsContact O-CB 3.26Å; T347-N350 WeakPolarHBondContact O-CB 3.17Å; T347-N350 PolarHBondContact O-N 2.75Å
348	L	97.5	Very high	92.9	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-61.4	-29.5	-178.2	-71	179.7	0	0	0	112.8	A257 Y262 P280 W344 L345 N350 H351 Y353	A257-L348 HydrophobicContact CB-CD2 4.44Å; Y262-L348 HydrophobicContact CD1-CB 4.26Å; Y262-L348 HydrophobicContact CD2-CB 3.5Å; Y262-L348 HydrophobicContact CD2-CD1 3.83Å; Y262-L348 HydrophobicContact CD2-CG 4.33Å; Y262-L348 HydrophobicContact CE1-CB 4.4Å; Y262-L348 HydrophobicContact CE2-CB 3.67Å; Y262-L348 HydrophobicContact CE2-CD1 3.99Å; Y262-L348 HydrophobicContact CE2-CG 4.45Å; Y262-L348 HydrophobicContact CG-CB 3.81Å; P280-L348 HydrophobicContact CB-CD2 3.77Å; P280-L348 HydrophobicContact CG-CD2 3.67Å; W344-L348 HydrophobicContact CH2-CD2 3.77Å; W344-L348 HydrophobicContact CH2-CG 4.49Å; W344-L348 HydrophobicContact CZ2-CD2 3.63Å; W344-L348 HydrophobicContact CZ3-CD2 4.43Å; L345-L348 HydrophobicContact CD2-CD1 3.7Å; L345-L348 WeakPolarHBondContact O-CB 3.26Å; L345-L348 WeakPolarHBondContact O-CG 3.44Å; L345-L348 PolarHBondContact O-N 2.87Å; L348-N350 PolarHBondContact O-N 2.86Å; L348-H351 PolarHBondContact O-N 3.35Å; L348-Y353 WeakPolarHBondContact O-CE2 3.37Å; L348-Y353 PolarHBondContact O-OH 3.25Å
349	G	95.5	Very high	91.3	Very high	48 Å²	48	65.5 Å²	65.5	50%	0.495	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-67.3	-12.8	174.9	0	0	0	0	0	114.5	T347 H351	T347-G349 PolarHBondContact O-N 3.16Å; G349-H351 VanDerWaalsContact C-N 3.28Å; G349-H351 PolarHBondContact O-N 3.11Å
350	N	96.2	Very high	89.6	Confident	129 Å²	129	66.6 Å²	66.6	69%	0.69	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-81.7	-8.2	179.3	-59	-22.1	0	0	0	113.1	T347 L348	T347-N350 VanDerWaalsContact O-CB 3.26Å; T347-N350 WeakPolarHBondContact O-CB 3.17Å; T347-N350 PolarHBondContact O-N 2.75Å; L348-N350 PolarHBondContact O-N 2.86Å
351	H	97.1	Very high	87.6	Confident	48 Å²	48	70.9 Å²	70.9	22%	0.222	40%	0.395	C	S	.	.			trans	-96.2	144.9	-179.5	-71.7	-84.1	0	0	0	111.3	D278 L348 G349 Y353	D278-H351 IonicContact OD1-CE1 3.11Å; D278-H351 IonicContact OD1-ND1 3.2Å; D278-H351 PolarHBondContact OD1-ND1 2.95Å; D278-H351 WeakPolarHBondContact OD2-CA 3.32Å; D278-H351 IonicContact OD2-CG 2.94Å; D278-H351 IonicContact OD2-ND1 3.68Å; D278-H351 PolarHBondContact OD2-ND1 3.45Å; L348-H351 PolarHBondContact O-N 3.35Å; G349-H351 VanDerWaalsContact C-N 3.28Å; G349-H351 PolarHBondContact O-N 3.11Å; H351-Y353 HydrophobicContact CB-CD1 4.49Å; H351-Y353 HydrophobicContact CB-CD2 4.21Å; H351-Y353 HydrophobicContact CB-CE1 4.04Å; H351-Y353 HydrophobicContact CB-CE2 3.69Å; H351-Y353 VanDerWaalsContact O-CD2 3.3Å; H351-Y353 WeakPolarHBondContact O-CD2 3.47Å; H351-Y353 VanDerWaalsContact O-CE2 3.29Å; H351-Y353 WeakPolarHBondContact O-CE2 3.5Å
352	T	96	Very high	85.3	Confident	90 Å²	90	76.4 Å²	76.4	55%	0.552	42%	0.424	S	S	*	.			trans	-86.5	-20.3	-179.2	57.4	0	0	0	0	113.7	D278 S354	D278-T352 WeakPolarHBondContact CB-OG1 3.38Å; D278-T352 PolarHBondContact OD2-N 3.38Å; D278-T352 PolarHBondContact OD2-OG1 2.98Å; T352-S354 PolarHBondContact O-N 3.46Å
353	Y	97.1	Very high	83.1	Confident	18 Å²	18	80 Å²	80	7%	0.071	44%	0.443	C	S	.	.	S	Bend	trans	51.8	26.5	-175	-52.3	-79.7	0	0	0	113.8	L254 A257 Y262 A263 V267 D278 P280 L348 H351	L254-Y353 HydrophobicContact CD1-CD1 4.14Å; A257-Y353 HydrophobicContact CB-CD1 4.23Å; A257-Y353 HydrophobicContact CB-CE1 3.27Å; A257-Y353 WeakPolarHBondContact CB-OH 3.35Å; Y262-Y353 VanDerWaalsContact O-CD2 3.29Å; Y262-Y353 WeakPolarHBondContact O-CD2 3.46Å; Y262-Y353 WeakPolarHBondContact O-CE2 3.31Å; A263-Y353 HydrophobicContact CB-CD1 3.67Å; A263-Y353 HydrophobicContact CB-CD2 4.01Å; A263-Y353 HydrophobicContact CB-CE1 4.14Å; A263-Y353 HydrophobicContact CB-CE2 4.48Å; A263-Y353 HydrophobicContact CB-CG 3.58Å; V267-Y353 WeakPolarHBondContact CG2-O 3.34Å; D278-Y353 VanDerWaalsContact O-CA 3.3Å; D278-Y353 WeakPolarHBondContact O-CA 3.5Å; D278-Y353 PolarHBondContact O-N 2.79Å; P280-Y353 HydrophobicContact CG-CE1 4.04Å; L348-Y353 WeakPolarHBondContact O-CE2 3.37Å; L348-Y353 PolarHBondContact O-OH 3.25Å; H351-Y353 HydrophobicContact CB-CD1 4.49Å; H351-Y353 HydrophobicContact CB-CD2 4.21Å; H351-Y353 HydrophobicContact CB-CE1 4.04Å; H351-Y353 HydrophobicContact CB-CE2 3.69Å; H351-Y353 VanDerWaalsContact O-CD2 3.3Å; H351-Y353 WeakPolarHBondContact O-CD2 3.47Å; H351-Y353 VanDerWaalsContact O-CE2 3.29Å; H351-Y353 WeakPolarHBondContact O-CE2 3.5Å
354	S	95.7	Very high	80.4	Confident	51 Å²	51	79.1 Å²	79.1	36%	0.357	45%	0.454	S	S	.	.	S	Bend	trans	-139.5	-173.5	-174.7	-167.5	0	0	0	0	109.8	I277 D278 T352 R356	I277-S354 WeakPolarHBondContact CA-O 3.49Å; D278-S354 PolarHBondContact N-O 3.18Å; T352-S354 PolarHBondContact O-N 3.46Å; S354-R356 PolarHBondContact O-N 3.27Å
355	F	93.3	Very high	77.6	Confident	117 Å²	117	80.9 Å²	80.9	51%	0.513	48%	0.475	S	S	.	.	B	Isolated β-bridge	trans	-55.8	132.9	178.3	-57.8	-82.1	0	0	0	111.4	I270 A275 R276 I277	I270-F355 HydrophobicContact CB-CZ 4.46Å; I270-F355 HydrophobicContact CD1-CE2 4.33Å; I270-F355 HydrophobicContact CD1-CZ 4.4Å; I270-F355 HydrophobicContact CG2-CZ 4.11Å; A275-F355 HydrophobicContact CB-CD1 3.51Å; A275-F355 HydrophobicContact CB-CE1 3.51Å; R276-F355 CarbonylContact O-C 3.42Å; R276-F355 WeakPolarHBondContact O-CA 3.46Å; I277-F355 HydrophobicContact CD1-CD1 3.71Å; I277-F355 HydrophobicContact CD1-CE1 3.98Å; I277-F355 HydrophobicContact CD1-CG 4.21Å
356	R	87.4	Confident	74.5	Confident	125 Å²	125	87.1 Å²	87.1	47%	0.472	51%	0.509	S	S	.	.			trans	-93.7	131.9	169.5	-63.5	-173.3	98.3	-175.9	4.4	109.5	R276 D278 S354 S358	R276-R356 HydrophobicContact CB-CB 4.34Å; R276-R356 HydrophobicContact CG-CB 4.24Å; R276-R356 PolarHBondContact O-N 2.94Å; D278-R356 HydrophobicContact CB-CG 3.66Å; D278-R356 IonicContact OD1-NE 3.95Å; S354-R356 PolarHBondContact O-N 3.27Å; R356-S358 PolarHBondContact O-N 3.3Å
357	D	72.2	Confident	71.5	Confident	166 Å²	166	91.1 Å²	91.1	89%	0.888	52%	0.524	S	S	*	.	S	Bend	trans	-67	-23.7	176	-60.3	-40.5	0	0	0	112.8
358	S	64.8	Low	68.3	Low	83 Å²	83	90.7 Å²	90.7	58%	0.58	53%	0.529	S	S	*	.	S	Bend	trans	-110.2	130.1	-174.5	-35	0	0	0	0	112.6	R356	R356-S358 PolarHBondContact O-N 3.3Å
359	P	59.6	Low	64.9	Low	109 Å²	109	95.2 Å²	95.2	71%	0.708	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-62.8	145.4	166.6	25.1	-30.1	0	0	0	110.2
360	S	58.4	Low	61.9	Low	30 Å²	30	103.7 Å²	103.7	21%	0.21	58%	0.584	C	S	.	*	P	Polyproline II helix	trans	-65	146.7	170.8	-62.9	0	0	0	0	109.8	R276 L362	R276-S360 PolarHBondContact NE-OG 2.99Å; R276-S360 PolarHBondContact NH2-OG 2.7Å; S360-L362 PolarHBondContact O-N 2.71Å
361	P	53.7	Low	58.8	Low	118 Å²	118	100.9 Å²	100.9	77%	0.766	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-51	128.2	174.5	-24.6	32.9	0	0	0	110.3	I363	P361-I363 PolarHBondContact O-N 2.74Å
362	L	48.5	Very low	55.7	Low	121 Å²	121	105 Å²	105	63%	0.634	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-67.4	127.5	171.5	-65.4	175	0	0	0	107.8	L207 S360 V364	L207-L362 HydrophobicContact CD2-CD2 3.35Å; L207-L362 HydrophobicContact CG-CD2 4.22Å; S360-L362 PolarHBondContact O-N 2.71Å; L362-V364 PolarHBondContact O-N 3.28Å
363	I	50.9	Low	52.5	Low	113 Å²	113	104.9 Å²	104.9	58%	0.579	59%	0.591	S	S	*	*			trans	-75.6	110.6	160.1	-60.1	-179.9	0	0	0	104.3	P361 A365	P361-I363 PolarHBondContact O-N 2.74Å; I363-A365 PolarHBondContact O-N 2.74Å
364	V	38.3	Very low	49.2	Very low	127 Å²	127	109 Å²	109	77%	0.77	62%	0.618	S	S	*	*			trans	-57.1	112	172.4	-179.3	0	0	0	0	106.3	L362 D366	L362-V364 PolarHBondContact O-N 3.28Å; V364-D366 PolarHBondContact O-N 2.75Å; V364-D366 VanDerWaalsContact O-N 3.14Å
365	A	37.8	Very low	45.9	Very low	69 Å²	69	114.3 Å²	114.3	57%	0.57	64%	0.637	S	S	*	*			trans	-62.6	115.6	166.1	0	0	0	0	0	105.9	I363 N367	I363-A365 PolarHBondContact O-N 2.74Å; A365-N367 PolarHBondContact O-N 3.48Å
366	D	33.5	Very low	42.8	Very low	136 Å²	136	114.2 Å²	114.2	73%	0.727	64%	0.641	S	S	*	*			trans	-56	111.4	174.8	-167.9	13.4	0	0	0	108	V364 G368	V364-D366 PolarHBondContact O-N 2.75Å; V364-D366 VanDerWaalsContact O-N 3.14Å; D366-G368 PolarHBondContact O-N 3.31Å
367	N	31.6	Very low	39.8	Very low	167 Å²	167	112.8 Å²	112.8	89%	0.893	66%	0.656	S	S	*	*			trans	-76.6	71.9	175.2	-81.2	-26.9	0	0	0	107.5	A365	A365-N367 PolarHBondContact O-N 3.48Å
368	G	29.4	Very low	37.9	Very low	40 Å²	40	110.4 Å²	110.4	41%	0.412	64%	0.643	S	S	.	*	S	Bend	trans	-168.6	105.1	-175.9	0	0	0	0	0	111.8	D366	D366-G368 PolarHBondContact O-N 3.31Å
369	S	27	Very low	36	Very low	95 Å²	95	114.7 Å²	114.7	66%	0.664	65%	0.654	S	S	*	*			trans	79.5	126.6	174.3	84.7	0	0	0	0	116.6	T371	S369-T371 PolarHBondContact O-N 3.14Å; S369-T371 PolarHBondContact OG-OG1 3.06Å
370	K	31	Very low	34.3	Very low	225 Å²	225	117.5 Å²	117.5	98%	0.978	66%	0.663	S	S	*	*	S	Bend	trans	-69	48.5	165.4	-71.9	179.8	173.1	176.9	0	111.3
371	T	31.6	Very low	32.8	Very low	71 Å²	71	125.5 Å²	125.5	44%	0.436	69%	0.69	S	S	.	*			trans	-123.8	119.1	170.5	50.9	0	0	0	0	108.9	S369 D373	S369-T371 PolarHBondContact O-N 3.14Å; S369-T371 PolarHBondContact OG-OG1 3.06Å; T371-D373 PolarHBondContact O-N 2.81Å
372	D	31.3	Very low	31.5	Very low	134 Å²	134	126.7 Å²	126.7	72%	0.717	70%	0.695	S	S	*	*			trans	-74.3	61.6	-168	-147.4	12.3	0	0	0	111.2
373	D	28.6	Very low	30.4	Very low	88 Å²	88	124.5 Å²	124.5	47%	0.471	69%	0.69	S	S	.	*			trans	-128.5	60.6	-177.5	-79.5	-35.9	0	0	0	111	T371 Q375	T371-D373 PolarHBondContact O-N 2.81Å; D373-Q375 PolarHBondContact O-N 2.81Å
374	T	29.4	Very low	29.2	Very low	103 Å²	103	126.9 Å²	126.9	63%	0.632	70%	0.702	S	S	*	*			trans	-71.3	96.4	165.1	48	0	0	0	0	109.5
375	Q	25.1	Very low	28.5	Very low	164 Å²	164	132 Å²	132	77%	0.766	71%	0.707	S	S	*	*			trans	-75.2	124.5	166.7	-63.5	-174.9	16	0	0	109	D373	D373-Q375 PolarHBondContact O-N 2.81Å
376	I	28.8	Very low	27.8	Very low	114 Å²	114	134.2 Å²	134.2	59%	0.585	71%	0.714	S	S	*	*			trans	-81.7	120.2	177.1	-62.9	172.6	0	0	0	107.9	N378	I376-N378 PolarHBondContact O-N 3.08Å
377	A	25.5	Very low	27.4	Very low	96 Å²	96	133.4 Å²	133.4	79%	0.793	72%	0.717	S	S	*	*			trans	-64.1	112.1	166	0	0	0	0	0	108.7	Q379	A377-Q379 PolarHBondContact O-N 3.33Å
378	N	31	Very low	27.1	Very low	116 Å²	116	133.1 Å²	133.1	62%	0.62	71%	0.708	S	S	*	*			trans	-65.6	124.8	-177.9	-71.9	-46.9	0	0	0	110.5	I376	I376-N378 PolarHBondContact O-N 3.08Å
379	Q	25.9	Very low	27	Very low	172 Å²	172	138.3 Å²	138.3	80%	0.804	73%	0.726	S	S	*	*			trans	-71.9	135.1	160.2	-77.2	179	-36.2	0	0	108.8	A377 Y381	A377-Q379 PolarHBondContact O-N 3.33Å; Q379-Y381 WeakPolarHBondContact O-CD2 3.4Å; Q379-Y381 PolarHBondContact O-N 3.36Å; Q379-Y381 VanDerWaalsContact O-N 3.13Å
380	D	23.6	Very low	27	Very low	169 Å²	169	138.8 Å²	138.8	90%	0.904	73%	0.725	S	S	*	*			trans	-51.3	110.2	-175.3	-63.3	-51.4	0	0	0	112.4
381	Y	27.4	Very low	26.7	Very low	197 Å²	197	136.6 Å²	136.6	77%	0.773	72%	0.715	S	S	*	*			trans	-104.3	113.6	166.6	-86.4	-82.7	0	0	0	109.1	Q379 S383	Q379-Y381 WeakPolarHBondContact O-CD2 3.4Å; Q379-Y381 PolarHBondContact O-N 3.36Å; Q379-Y381 VanDerWaalsContact O-N 3.13Å; Y381-S383 PolarHBondContact O-N 3.35Å; Y381-S383 PolarHBondContact O-OG 2.8Å
382	V	24.7	Very low	26.6	Very low	143 Å²	143	140.5 Å²	140.5	87%	0.867	73%	0.734	S	S	*	*			trans	-62.7	106.5	170	178.4	0	0	0	0	108
383	S	26.5	Very low	26.3	Very low	76 Å²	76	142 Å²	142	53%	0.531	74%	0.742	S	S	.	*			trans	-90.7	111.7	-179	-60.7	0	0	0	0	109.5	Y381 R385	Y381-S383 PolarHBondContact O-N 3.35Å; Y381-S383 PolarHBondContact O-OG 2.8Å; S383-R385 PolarHBondContact O-N 2.8Å
384	I	25.5	Very low	26.4	Very low	162 Å²	162	145.6 Å²	145.6	83%	0.831	76%	0.76	S	S	*	*			trans	-72.2	109.2	168.1	-58.3	175.2	0	0	0	106.9
385	R	23.2	Very low	26.2	Very low	234 Å²	234	147.5 Å²	147.5	88%	0.883	77%	0.767	S	S	*	*			trans	-81	115.5	177	-70.3	-177.3	178.6	-164	-0.1	109.3	S383	S383-R385 PolarHBondContact O-N 2.8Å
386	T	23.8	Very low	26.3	Very low	117 Å²	117	148 Å²	148	72%	0.718	77%	0.766	S	S	*	*			trans	-95.1	120.1	157.2	4.2	0	0	0	0	108.1
387	P	25.3	Very low	26.2	Very low	119 Å²	119	149.2 Å²	149.2	77%	0.773	77%	0.774	S	S	*	*			trans	-75.9	134.1	-176.7	28.2	-29.4	0	0	0	111.1	N389	P387-N389 PolarHBondContact O-N 3.08Å
388	F	24.9	Very low	26.5	Very low	160 Å²	160	151.8 Å²	151.8	70%	0.702	77%	0.774	S	S	*	*			trans	-65.5	112.2	166.9	-109.7	-92	0	0	0	109.2	W49 T390	W49-F388 HydrophobicContact CH2-CD2 4.43Å; W49-F388 AromaticContact CH2-CE2 3.26Å; W49-F388 HydrophobicContact CH2-CE2 3.26Å; W49-F388 AromaticContact CH2-CZ 3.52Å; W49-F388 HydrophobicContact CH2-CZ 3.52Å; W49-F388 HydrophobicContact CZ2-CE2 4.33Å; W49-F388 AromaticContact CZ3-CE2 3.59Å; W49-F388 HydrophobicContact CZ3-CE2 3.59Å; W49-F388 AromaticContact CZ3-CZ 3.53Å; W49-F388 HydrophobicContact CZ3-CZ 3.53Å; F388-T390 HydrophobicContact CD1-CG2 4.36Å
389	N	26.7	Very low	26.2	Very low	149 Å²	149	153.2 Å²	153.2	80%	0.797	79%	0.787	S	S	*	*			trans	-98.8	87.4	169.9	-158.7	17.8	0	0	0	109.1	P387	P387-N389 PolarHBondContact O-N 3.08Å
390	T	27.3	Very low	26.2	Very low	106 Å²	106	149.1 Å²	149.1	65%	0.65	78%	0.782	S	S	*	*			trans	-88	104.5	163.4	44.4	0	0	0	0	108	F388	F388-T390 HydrophobicContact CD1-CG2 4.36Å
391	K	24.4	Very low	26.4	Very low	178 Å²	178	149.4 Å²	149.4	77%	0.774	78%	0.778	S	S	*	*			trans	162.8	106.9	149.3	-93.2	165.2	-174.4	-172.9	0	107.8
392	D	30.1	Very low	26.2	Very low	153 Å²	153	145.5 Å²	145.5	82%	0.818	78%	0.778	S	S	*	*			trans	-148.1	104.3	139.3	-90.7	-31.7	0	0	0	108	L394	D392-L394 PolarHBondContact O-N 3.44Å
393	N	25	Very low	26.3	Very low	166 Å²	166	145.3 Å²	145.3	89%	0.888	77%	0.772	S	S	*	*			trans	-70.3	107.9	164	-81.2	-43.7	0	0	0	107.1
394	L	29.4	Very low	26.3	Very low	164 Å²	164	148.4 Å²	148.4	86%	0.859	78%	0.782	S	S	*	*			trans	-121	114.9	164.1	-85.8	159.9	0	0	0	109.6	D392	D392-L394 PolarHBondContact O-N 3.44Å
395	N	26.8	Very low	26.5	Very low	143 Å²	143	146.4 Å²	146.4	77%	0.765	78%	0.779	S	S	*	*			trans	-81.6	132.5	-175.7	-156.9	10.9	0	0	0	109.1
396	K	26.3	Very low	26.8	Very low	174 Å²	174	141.4 Å²	141.4	76%	0.757	77%	0.774	S	S	*	*			trans	8.6	120.2	150.9	-67	-179.8	174.3	-179.4	0	118.4
397	N	28	Very low	26.9	Very low	140 Å²	140	144 Å²	144	75%	0.749	78%	0.775	S	S	*	*				165.9	145.8	108.7	-83.6	-21.9	0	0	0	111.6
398	D	30.2	Very low	27	Very low	149 Å²	149	147.8 Å²	147.8	80%	0.797	78%	0.78	S	S	*	*			trans	75.1	93	157.6	-54.4	-26	0	0	0	120.6
399	V	25.8	Very low	27.4	Very low	146 Å²	146	147.5 Å²	147.5	89%	0.885	78%	0.781	S	S	*	*			trans	-6.8	123.3	137.4	-173.2	0	0	0	0	116.3
400	A	25.4	Very low	27.4	Very low	86 Å²	86	151.8 Å²	151.8	71%	0.711	79%	0.786	S	S	*	*				177.2	146.4	120.8	0	0	0	0	0	112.8
401	E	27	Very low	27.7	Very low	176 Å²	176	155.5 Å²	155.5	82%	0.822	80%	0.801	S	S	*	*			trans	76.1	91.5	157.8	-76.9	171.2	169.9	0	0	119.8	D403	E401-D403 PolarHBondContact O-N 3.12Å
402	C	23.5	Very low	28.1	Very low	114 Å²	114	150.5 Å²	150.5	77%	0.77	79%	0.792	S	S	*	*			trans	-68.8	105.4	152.5	-164.7	0	0	0	0	109.1
403	D	28.2	Very low	28.4	Very low	139 Å²	139	158.9 Å²	158.9	74%	0.743	81%	0.813	S	S	*	*			trans	-133.8	101.5	162.5	-93.3	-29.3	0	0	0	108.7	E401 P405	E401-D403 PolarHBondContact O-N 3.12Å; D403-P405 WeakPolarHBondContact O-CD 3.41Å
404	I	26.3	Very low	28.6	Very low	142 Å²	142	158.6 Å²	158.6	73%	0.728	81%	0.809	S	S	*	*			trans	-91.1	109.1	173.1	-58	172.6	0	0	0	107.1	V406	I404-V406 HydrophobicContact CG2-CG2 4.42Å; I404-V406 PolarHBondContact O-N 2.73Å
405	P	28	Very low	28.6	Very low	119 Å²	119	158.3 Å²	158.3	77%	0.773	81%	0.807	S	S	*	*			trans	-86	102.6	175.2	11.2	7	0	0	0	109	D403 K407	D403-P405 WeakPolarHBondContact O-CD 3.41Å; P405-K407 PolarHBondContact O-N 2.87Å; P405-K407 VanDerWaalsContact O-N 3.08Å
406	V	29.7	Very low	28.7	Very low	129 Å²	129	159.1 Å²	159.1	78%	0.782	81%	0.809	S	S	*	*			trans	-73.4	97.1	169.4	-179.3	0	0	0	0	108.6	I404 K408	I404-V406 HydrophobicContact CG2-CG2 4.42Å; I404-V406 PolarHBondContact O-N 2.73Å; V406-K408 PolarHBondContact O-N 3.32Å
407	K	26.8	Very low	28.8	Very low	171 Å²	171	158.2 Å²	158.2	74%	0.743	81%	0.812	S	S	*	*			trans	-75.1	107.6	173.4	-124.5	-172.8	175.9	-155.8	0	109.8	P405 E409	P405-K407 PolarHBondContact O-N 2.87Å; P405-K407 VanDerWaalsContact O-N 3.08Å; K407-E409 IonicContact NZ-OE1 3.77Å; K407-E409 PolarHBondContact NZ-OE1 3.25Å; K407-E409 PolarHBondContact O-N 2.77Å
408	K	28.2	Very low	28.9	Very low	199 Å²	199	159.4 Å²	159.4	87%	0.865	82%	0.816	S	S	*	*			trans	-70.6	110.5	161.8	-80.2	178.2	175.3	174.9	0	108.9	V406	V406-K408 PolarHBondContact O-N 3.32Å
409	E	31.5	Very low	28.8	Very low	154 Å²	154	160.1 Å²	160.1	72%	0.72	82%	0.817	S	S	*	*			trans	-107.4	109.7	162.9	-87	172.8	-166.8	0	0	110	K407	K407-E409 IonicContact NZ-OE1 3.77Å; K407-E409 PolarHBondContact NZ-OE1 3.25Å; K407-E409 PolarHBondContact O-N 2.77Å
410	R	27.7	Very low	29	Very low	240 Å²	240	161.1 Å²	161.1	91%	0.906	81%	0.812	S	S	*	*			trans	-54.8	127.1	165.2	-81.2	169.1	157.7	162.2	-7.2	109.2
411	L	34.1	Very low	29.2	Very low	183 Å²	183	166.8 Å²	166.8	96%	0.958	82%	0.82	S	S	*	*			trans	-97.7	111.6	149.8	-80.2	159.5	0	0	0	106.9
412	A	31.5	Very low	29.4	Very low	73 Å²	73	166.1 Å²	166.1	60%	0.603	82%	0.82	S	S	*	*			trans	-88.6	141.6	176.8	0	0	0	0	0	109.5
413	W	38	Very low	30	Very low	330 Å²	330	170.8 Å²	170.8	100%	1.25	83%	0.825	S	S	*	*			trans	80.2	0	171.2	-53.2	94.3	0	0	0	116.9

Retrieved 413 of 413 residues in 158.8 ms (Link to these results)

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