A0A096N4F2_PAPAN Loading...

Dipeptidyl peptidase 1

Thiol protease. Has dipeptidylpeptidase activity. Active against a broad range of dipeptide substrates composed of both polar and hydrophobic amino acids. Proline cannot occupy the P1 position and arginine cannot occupy the P2 position of the substrate. Can act as both an exopeptidase and endopeptidase. Activates serine proteases such as elastase, cathepsin G and granzymes A and B.

AlphaFold DB , UniProt , Accession A0A096N4F2, Species PAPAN (Papio anubis, Olive baboon), Gene CTSC, Length 463 aa.

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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	34.9	Very low	32.9	Very low	253 Å²	253	125.8 Å²	125.8	100%	1.246	84%	0.836	S	S	*	*				0	111.5	0	-56.4	-180	-127.4	0	0	105.7
2	G	35	Very low	32.6	Very low	74 Å²	74	127.4 Å²	127.4	76%	0.763	83%	0.83	S	S	*	*			cis	166.8	112.2	11.9	0	0	0	0	0	103.1
3	V	34.3	Very low	32.3	Very low	154 Å²	154	129.4 Å²	129.4	93%	0.933	83%	0.828	S	S	*	*			trans	-137.8	108.5	172.4	-173.9	0	0	0	0	105.6
4	G	31.3	Very low	31.9	Very low	70 Å²	70	130 Å²	130	72%	0.722	82%	0.82	S	S	*	*			trans	-125.1	130.6	172.6	0	0	0	0	0	108.3
5	P	37.4	Very low	31.6	Very low	128 Å²	128	131.6 Å²	131.6	83%	0.831	82%	0.819	S	S	*	*			trans	-80.3	142.3	178.1	31.9	-30	0	0	0	110.3	S7	P5-S7 PolarHBondContact O-N 2.85Å
6	A	33.2	Very low	31.4	Very low	100 Å²	100	133.4 Å²	133.4	83%	0.826	82%	0.82	S	S	*	*			trans	-62.8	121.8	174.5	0	0	0	0	0	110.6
7	S	31.5	Very low	31.4	Very low	103 Å²	103	131.4 Å²	131.4	72%	0.72	81%	0.813	S	S	*	*			trans	-85.8	110.5	170.6	-172.7	0	0	0	0	109	P5 L9	P5-S7 PolarHBondContact O-N 2.85Å; S7-L9 PolarHBondContact O-N 2.94Å
8	L	32.7	Very low	31.2	Very low	166 Å²	166	127.2 Å²	127.2	87%	0.869	80%	0.8	S	S	*	*			trans	-70.9	102.7	160.7	-94.4	104.7	0	0	0	108	A10	L8-A10 PolarHBondContact O-N 3.24Å; L8-A10 VanDerWaalsContact O-N 3.14Å
9	L	31	Very low	31.3	Very low	161 Å²	161	127.7 Å²	127.7	84%	0.843	80%	0.797	S	S	*	*			trans	-76.6	91.7	163	-96.7	122.2	0	0	0	108.7	S7 A11	S7-L9 PolarHBondContact O-N 2.94Å; L9-A11 PolarHBondContact O-N 2.68Å
10	A	31	Very low	31.6	Very low	84 Å²	84	132.1 Å²	132.1	69%	0.694	80%	0.797	S	S	*	*			trans	-72	106.1	158.1	0	0	0	0	0	107.7	L8 L12	L8-A10 PolarHBondContact O-N 3.24Å; L8-A10 VanDerWaalsContact O-N 3.14Å; A10-L12 PolarHBondContact O-N 3.33Å
11	A	30	Very low	32.3	Very low	91 Å²	91	126.9 Å²	126.9	75%	0.752	77%	0.768	S	S	*	*			trans	-67.6	99.5	167.8	0	0	0	0	0	108.3	L9 L13	L9-A11 PolarHBondContact O-N 2.68Å; A11-L13 PolarHBondContact O-N 2.8Å
12	L	29.1	Very low	32.7	Very low	145 Å²	145	117 Å²	117	76%	0.759	72%	0.722	S	S	*	*			trans	-69.8	95.5	168	-133.8	87.4	0	0	0	107.4	A10 L14	A10-L12 PolarHBondContact O-N 3.33Å; L12-L14 VanDerWaalsContact C-N 3.27Å; L12-L14 PolarHBondContact O-N 2.85Å
13	L	29	Very low	33.8	Very low	153 Å²	153	115.6 Å²	115.6	80%	0.801	69%	0.694	S	S	*	*			trans	-63.9	94.1	161	-92.2	143.8	0	0	0	107.1	A11 L15	A11-L13 PolarHBondContact O-N 2.8Å; L13-L15 PolarHBondContact O-N 3.1Å
14	L	26.6	Very low	35.1	Very low	138 Å²	138	108.9 Å²	108.9	72%	0.723	65%	0.653	S	S	*	*			trans	-65.6	85.5	163.1	-84.3	152.1	0	0	0	107.5	L12 L16	L12-L14 VanDerWaalsContact C-N 3.27Å; L12-L14 PolarHBondContact O-N 2.85Å; L14-L16 PolarHBondContact O-N 2.79Å
15	L	27.6	Very low	37.4	Very low	154 Å²	154	106.1 Å²	106.1	81%	0.806	62%	0.622	S	S	*	*			trans	-61	94.2	154.5	-79	159.1	0	0	0	106	L13 S17	L13-L15 PolarHBondContact O-N 3.1Å; L15-S17 PolarHBondContact O-N 2.83Å
16	L	27.5	Very low	39.7	Very low	160 Å²	160	100.5 Å²	100.5	84%	0.838	59%	0.585	S	S	*	*			trans	-67	79.2	160	-74.2	165.9	0	0	0	106.7	L14 G18	L14-L16 PolarHBondContact O-N 2.79Å; L16-G18 PolarHBondContact O-N 3.19Å
17	S	31.2	Very low	42.2	Very low	100 Å²	100	96.6 Å²	96.6	70%	0.699	55%	0.552	S	S	*	*			trans	-65.4	82.2	153.7	54.5	0	0	0	0	105.9	L15 D19	L15-S17 PolarHBondContact O-N 2.83Å; S17-D19 PolarHBondContact O-N 3.07Å; S17-D19 VanDerWaalsContact O-N 3.15Å
18	G	27.8	Very low	44.8	Very low	56 Å²	56	91.8 Å²	91.8	58%	0.577	52%	0.518	S	S	*	.			trans	-57.5	120.3	164.8	0	0	0	0	0	106.6	L16 R20	L16-G18 PolarHBondContact O-N 3.19Å; G18-R20 PolarHBondContact O-N 3.01Å
19	D	33.3	Very low	47.4	Very low	137 Å²	137	86.3 Å²	86.3	73%	0.733	49%	0.49	S	S	*	.			trans	-54.4	86.4	170.5	-71.1	-46.8	0	0	0	108.9	S17 A21	S17-D19 PolarHBondContact O-N 3.07Å; S17-D19 VanDerWaalsContact O-N 3.15Å; D19-A21 PolarHBondContact O-N 2.73Å
20	R	38	Very low	50.2	Low	215 Å²	215	78.7 Å²	78.7	81%	0.811	45%	0.449	S	S	*	.			trans	-77.7	102.3	168.2	-74.1	-171.4	-177.5	-173.6	1.4	105.3	G18 V22	G18-R20 PolarHBondContact O-N 3.01Å; R20-V22 PolarHBondContact O-N 3.14Å
21	A	46.3	Very low	53.1	Low	23 Å²	23	76.6 Å²	76.6	19%	0.19	43%	0.428	C	S	.	.			trans	-46.4	131.3	165.3	0	0	0	0	0	108.5	D19 R23	D19-A21 PolarHBondContact O-N 2.73Å; A21-R23 VanDerWaalsContact C-N 3.34Å; A21-R23 PolarHBondContact O-N 3.45Å
22	V	43.5	Very low	56	Low	44 Å²	44	73.6 Å²	73.6	27%	0.267	40%	0.398	S	S	.	.			trans	-62.8	96.8	176.8	177.6	0	0	0	0	107.8	R20 K203	R20-V22 PolarHBondContact O-N 3.14Å; V22-K203 HydrophobicContact CG1-CB 3.92Å; V22-K203 HydrophobicContact CG1-CD 4.1Å; V22-K203 HydrophobicContact CG1-CG 4.11Å
23	R	56.9	Low	58.9	Low	46 Å²	46	72.7 Å²	72.7	17%	0.174	39%	0.393	C	S	.	.			trans	-95.1	138.4	169.6	-66.6	-172.3	-177.6	169.1	9.8	107.5	A21 E109 E299	A21-R23 VanDerWaalsContact C-N 3.34Å; A21-R23 PolarHBondContact O-N 3.45Å; R23-E109 IonicContact CZ-OE2 3.93Å; R23-E109 IonicContact NH1-OE1 3.27Å; R23-E109 PolarHBondContact NH1-OE1 3.38Å; R23-E109 IonicContact NH1-OE2 3.61Å; R23-E109 PolarHBondContact NH1-OE2 2.83Å; R23-E109 IonicContact NH2-OE2 2.87Å; R23-E299 WeakPolarHBondContact O-CA 3.24Å; R23-E299 WeakPolarHBondContact O-CB 3.43Å; R23-E299 WeakPolarHBondContact O-CG 3.18Å
24	C	61.7	Low	61.9	Low	12 Å²	12	67.3 Å²	67.3	8%	0.081	37%	0.365	C	S	.	.			trans	-127.9	111.1	174.1	-58	0	0	0	0	103.6	G206 G207 E299	C24-G206 VanDerWaalsContact CB-O 3.23Å; C24-G206 WeakPolarHBondContact CB-O 3.4Å; C24-G207 VanDerWaalsContact CB-CA 3.41Å; C24-E299 CarbonylContact C-O 3.54Å; C24-E299 WeakPolarHBondContact CA-O 3.36Å
25	D	80.6	Confident	65.1	Low	13 Å²	13	60.7 Å²	60.7	7%	0.07	33%	0.33	C	S	.	.	S	Bend	trans	77.7	167.6	-164.3	-50.8	-33.4	0	0	0	116.2	E299 G300 G301 F302	D25-E299 WeakPolarHBondContact CA-O 3.23Å; D25-E299 PolarHBondContact N-O 2.85Å; D25-G300 WeakPolarHBondContact OD1-CA 3.2Å; D25-G301 PolarHBondContact OD1-N 3.09Å; D25-F302 HydrophobicContact CB-CE2 4.21Å; D25-F302 HydrophobicContact CB-CZ 4.41Å; D25-F302 WeakPolarHBondContact OD2-CZ 3.45Å
26	T	84.9	Confident	68.3	Low	10 Å²	10	55 Å²	55	6%	0.061	30%	0.301	C	S	.	.			trans	-59.8	154.2	171.4	84.2	0	0	0	0	109.7	A28 Q90 F104 Y107 Q296	T26-A28 PolarHBondContact O-N 2.82Å; T26-A28 WeakPolarHBondContact OG1-CB 3.2Å; T26-A28 PolarHBondContact OG1-N 3.21Å; T26-Q90 VanDerWaalsContact N-OE1 3.07Å; T26-Q90 PolarHBondContact O-NE2 3.24Å; T26-Q90 PolarHBondContact OG1-OE1 2.9Å; T26-F104 HydrophobicContact CG2-CD1 4.22Å; T26-F104 HydrophobicContact CG2-CE1 4.34Å; T26-F104 HydrophobicContact CG2-CG 4.42Å; T26-Y107 HydrophobicContact CG2-CE1 4.32Å; T26-Q296 VanDerWaalsContact CG2-CD 3.48Å; T26-Q296 HydrophobicContact CG2-CG 3.96Å
27	P	85.6	Confident	71.6	Confident	18 Å²	18	48.7 Å²	48.7	12%	0.117	27%	0.274	C	S	.	.	S	Bend	trans	-67.5	-9.6	-179.2	-18.8	32	0	0	0	114.5	Y107 E109 V114 I116	P27-Y107 HydrophobicContact CB-CD2 4.42Å; P27-Y107 HydrophobicContact CG-CD2 3.82Å; P27-Y107 HydrophobicContact CG-CE2 3.88Å; P27-Y107 HydrophobicContact CG-CG 4.35Å; P27-E109 WeakPolarHBondContact CG-OE1 3.41Å; P27-V114 HydrophobicContact CB-CG1 3.57Å; P27-V114 HydrophobicContact CG-CG1 4.28Å; P27-I116 WeakPolarHBondContact O-CD1 3.46Å
28	A	86.6	Confident	74.8	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.008	25%	0.253	C	S	.	.			trans	-61.1	144.1	-178.7	0	0	0	0	0	111.4	T26 Q90 F105	T26-A28 PolarHBondContact O-N 2.82Å; T26-A28 WeakPolarHBondContact OG1-CB 3.2Å; T26-A28 PolarHBondContact OG1-N 3.21Å; A28-Q90 PolarHBondContact O-NE2 2.97Å; A28-Q90 VanDerWaalsContact O-NE2 3.12Å; A28-F105 HydrophobicContact CB-CB 4.19Å
29	N	87.9	Confident	78.1	Confident	52 Å²	52	43.2 Å²	43.2	28%	0.278	23%	0.225	S	C	.	.			trans	-147	59.8	177.9	-175.6	39	0	0	0	109.7	N89 I116 R210 I212	N29-N89 PolarHBondContact OD1-ND2 2.99Å; N29-I116 HydrophobicContact CB-CD1 4.45Å; N29-R210 WeakPolarHBondContact ND2-CD 3.43Å; N29-R210 PolarHBondContact ND2-NH1 3.22Å; N29-R210 VanDerWaalsContact OD1-CD 3.31Å; N29-R210 WeakPolarHBondContact OD1-CD 3.37Å; N29-I212 WeakPolarHBondContact OD1-CD1 3.17Å
30	C	90.1	Very high	81.2	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.197	C	C	.	.			trans	-93.4	150.5	-174.9	-60.3	0	0	0	0	111	N89 F105 C118	C30-N89 PolarHBondContact N-O 2.77Å; C30-N89 WeakPolarHBondContact O-CA 3.31Å; C30-N89 WeakPolarHBondContact O-CB 3.36Å; C30-F105 HydrophobicContact CB-CB 4.4Å; C30-F105 HydrophobicContact CB-CD1 4.27Å; C30-F105 HydrophobicContact CB-CD2 3.36Å; C30-F105 HydrophobicContact CB-CE1 4.41Å; C30-F105 HydrophobicContact CB-CE2 3.55Å; C30-F105 HydrophobicContact CB-CG 3.76Å; C30-F105 HydrophobicContact CB-CZ 4.07Å; C30-F105 VanDerWaalsContact SG-CB 3.56Å; C30-F105 VanDerWaalsContact SG-CG 3.54Å; C30-C118 WeakPolarHBondContact CA-SG 3.33Å; C30-C118 HydrophobicContact CB-CB 3.63Å; C30-C118 WeakPolarHBondContact CB-SG 3.35Å; C30-C118 WeakPolarHBondContact SG-CA 3.43Å; C30-C118 WeakPolarHBondContact SG-CB 3.42Å; C30-C118 CovalentContact SG-SG 2.04Å; C30-C118 PolarHBondContact SG-SG 2.96Å
31	T	90.6	Very high	84.1	Confident	40 Å²	40	27.6 Å²	27.6	25%	0.245	16%	0.158	C	C	.	.			trans	-97.4	161.9	-176.6	72.6	0	0	0	0	111.7	L33 D34 L35 I212	T31-L33 PolarHBondContact O-N 3.03Å; T31-L33 PolarHBondContact OG1-N 3.46Å; T31-D34 WeakPolarHBondContact CB-OD2 3.43Å; T31-D34 PolarHBondContact N-OD2 3.4Å; T31-D34 WeakPolarHBondContact O-CB 3.5Å; T31-D34 PolarHBondContact O-N 3.06Å; T31-D34 VanDerWaalsContact O-N 3.07Å; T31-D34 VanDerWaalsContact OG1-CG 3.24Å; T31-D34 PolarHBondContact OG1-N 2.96Å; T31-D34 PolarHBondContact OG1-OD2 2.74Å; T31-L35 PolarHBondContact O-N 2.77Å; T31-I212 HydrophobicContact CG2-CG2 4.49Å
32	Y	90.5	Very high	86.5	Confident	28 Å²	28	29.7 Å²	29.7	11%	0.11	17%	0.165	C	C	.	.	H	α-helix	trans	-56.9	-34	170.4	172.5	-97	0	0	0	112.8	D34 L35 L36 K70 L71 F84 I86 P215	Y32-D34 VanDerWaalsContact C-N 3.33Å; Y32-D34 PolarHBondContact O-N 2.9Å; Y32-L35 WeakPolarHBondContact O-CB 3.5Å; Y32-L35 PolarHBondContact O-N 3.15Å; Y32-L36 HydrophobicContact CD1-CD1 4.34Å; Y32-L36 HydrophobicContact CD1-CG 4.45Å; Y32-L36 HydrophobicContact CE1-CD1 3.69Å; Y32-L36 HydrophobicContact CE1-CD2 4.14Å; Y32-L36 HydrophobicContact CE1-CG 3.96Å; Y32-L36 HydrophobicContact CE2-CD2 4.31Å; Y32-L36 PolarHBondContact O-N 3.27Å; Y32-K70 VanDerWaalsContact OH-CA 3.25Å; Y32-K70 WeakPolarHBondContact OH-CA 3.36Å; Y32-K70 WeakPolarHBondContact OH-CB 3.36Å; Y32-L71 VanDerWaalsContact OH-C 3.29Å; Y32-L71 WeakPolarHBondContact OH-CA 3.35Å; Y32-L71 PolarHBondContact OH-O 2.95Å; Y32-F84 AromaticContact CE2-CE2 3.83Å; Y32-F84 HydrophobicContact CE2-CE2 3.83Å; Y32-F84 AromaticContact CE2-CZ 3.99Å; Y32-F84 HydrophobicContact CE2-CZ 3.99Å; Y32-I86 HydrophobicContact CD2-CG2 4.15Å; Y32-P215 HydrophobicContact CD1-CG 4.31Å; Y32-P215 HydrophobicContact CD2-CG 4.2Å; Y32-P215 HydrophobicContact CG-CG 4.04Å
33	L	90.9	Very high	89.1	Confident	126 Å²	126	28.1 Å²	28.1	66%	0.66	16%	0.155	S	C	*	.	H	α-helix	trans	-68.5	-32.7	176.2	-65	176.4	0	0	0	112.4	T31 L35 L36	T31-L33 PolarHBondContact O-N 3.03Å; T31-L33 PolarHBondContact OG1-N 3.46Å; L33-L35 PolarHBondContact O-N 3.28Å; L33-L36 HydrophobicContact CD2-CD1 4.23Å; L33-L36 PolarHBondContact O-N 3.19Å
34	D	91.9	Very high	90.9	Very high	40 Å²	40	25.9 Å²	25.9	21%	0.214	15%	0.146	C	C	.	.	H	α-helix	trans	-64.6	-31.4	173.8	-61.3	-53.9	0	0	0	111.5	T31 Y32 C118 K141	T31-D34 WeakPolarHBondContact CB-OD2 3.43Å; T31-D34 PolarHBondContact N-OD2 3.4Å; T31-D34 WeakPolarHBondContact O-CB 3.5Å; T31-D34 PolarHBondContact O-N 3.06Å; T31-D34 VanDerWaalsContact O-N 3.07Å; T31-D34 VanDerWaalsContact OG1-CG 3.24Å; T31-D34 PolarHBondContact OG1-N 2.96Å; T31-D34 PolarHBondContact OG1-OD2 2.74Å; Y32-D34 VanDerWaalsContact C-N 3.33Å; Y32-D34 PolarHBondContact O-N 2.9Å; D34-C118 HydrophobicContact CB-CB 3.79Å; D34-K141 WeakPolarHBondContact O-CD 3.32Å; D34-K141 PolarHBondContact O-NZ 3.11Å
35	L	94.6	Very high	92.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-73.5	-37.2	177.7	-175.1	57.5	0	0	0	113.2	T31 Y32 L33 G37 W39 L68 F84 I86 F92 F105	T31-L35 PolarHBondContact O-N 2.77Å; Y32-L35 WeakPolarHBondContact O-CB 3.5Å; Y32-L35 PolarHBondContact O-N 3.15Å; L33-L35 PolarHBondContact O-N 3.28Å; L35-G37 PolarHBondContact O-N 2.91Å; L35-W39 HydrophobicContact CD1-CZ2 4.17Å; L35-W39 PolarHBondContact O-NE1 2.99Å; L35-L68 HydrophobicContact CD1-CD1 3.54Å; L35-L68 HydrophobicContact CG-CD1 3.76Å; L35-F84 HydrophobicContact CD2-CD2 3.69Å; L35-F84 HydrophobicContact CD2-CE2 3.72Å; L35-F84 HydrophobicContact CG-CD2 4.35Å; L35-F84 HydrophobicContact CG-CE2 4.19Å; L35-I86 HydrophobicContact CD2-CB 3.76Å; L35-I86 HydrophobicContact CD2-CG1 4.19Å; L35-F92 HydrophobicContact CD1-CB 3.81Å; L35-F92 HydrophobicContact CD1-CD1 3.36Å; L35-F92 HydrophobicContact CD1-CD2 4.38Å; L35-F92 HydrophobicContact CD1-CE1 3.94Å; L35-F92 HydrophobicContact CD1-CG 3.6Å; L35-F92 HydrophobicContact CD2-CB 3.65Å; L35-F92 HydrophobicContact CD2-CG 4.38Å; L35-F92 HydrophobicContact CG-CB 4.41Å; L35-F105 HydrophobicContact CB-CZ 4.3Å; L35-F105 HydrophobicContact CD1-CE1 4.31Å; L35-F105 HydrophobicContact CD1-CZ 4.16Å
36	L	94.8	Very high	92.4	Very high	34 Å²	34	28.1 Å²	28.1	18%	0.178	16%	0.163	C	C	.	.			trans	-62.9	134.7	-176.3	-68.9	-175.3	0	0	0	113.5	Y32 L33 K70 F84 K141	Y32-L36 HydrophobicContact CD1-CD1 4.34Å; Y32-L36 HydrophobicContact CD1-CG 4.45Å; Y32-L36 HydrophobicContact CE1-CD1 3.69Å; Y32-L36 HydrophobicContact CE1-CD2 4.14Å; Y32-L36 HydrophobicContact CE1-CG 3.96Å; Y32-L36 HydrophobicContact CE2-CD2 4.31Å; Y32-L36 PolarHBondContact O-N 3.27Å; L33-L36 HydrophobicContact CD2-CD1 4.23Å; L33-L36 PolarHBondContact O-N 3.19Å; L36-K70 HydrophobicContact CD1-CB 4.21Å; L36-F84 HydrophobicContact CD2-CE2 4.43Å; L36-F84 HydrophobicContact CD2-CZ 3.69Å; L36-K141 WeakPolarHBondContact O-CE 3.42Å; L36-K141 PolarHBondContact O-NZ 2.59Å
37	G	95.9	Very high	92.3	Very high	27 Å²	27	30.5 Å²	30.5	28%	0.278	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	128.6	-161.6	177	0	0	0	0	0	112.9	L35 L68	L35-G37 PolarHBondContact O-N 2.91Å; G37-L68 PolarHBondContact N-O 2.83Å; G37-L68 PolarHBondContact O-N 2.93Å
38	T	97.7	Very high	92.5	Very high	42 Å²	42	31.4 Å²	31.4	26%	0.258	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	125.9	-175.8	-53	0	0	0	0	111.1	V65 H67 K141 V142	T38-V65 HydrophobicContact CG2-CG1 3.64Å; T38-H67 VanDerWaalsContact CG2-CE1 3.43Å; T38-H67 WeakPolarHBondContact CG2-CE1 3.49Å; T38-H67 WeakPolarHBondContact CG2-ND1 3.43Å; T38-H67 PolarHBondContact OG1-CE1 3.19Å; T38-H67 PolarHBondContact OG1-ND1 3.41Å; T38-K141 CarbonylContact O-C 3.59Å; T38-K141 WeakPolarHBondContact O-CA 3.47Å; T38-V142 HydrophobicContact CG2-CB 4.34Å; T38-V142 HydrophobicContact CG2-CG2 3.91Å; T38-V142 PolarHBondContact O-N 3.09Å
39	W	98.4	Very high	92.9	Very high	0 Å²	0	38 Å²	38	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	140.1	176.8	-72.3	81.9	0	0	0	111.2	L35 F41 V65 V66 F92 F105 C118 T121 K141	L35-W39 HydrophobicContact CD1-CZ2 4.17Å; L35-W39 PolarHBondContact O-NE1 2.99Å; W39-F41 HydrophobicContact CB-CD1 4.37Å; W39-F41 HydrophobicContact CB-CE1 3.66Å; W39-F41 HydrophobicContact CB-CZ 3.83Å; W39-F41 HydrophobicContact CD2-CE1 4.41Å; W39-F41 HydrophobicContact CE3-CE1 4.17Å; W39-F41 HydrophobicContact CG-CE1 4.25Å; W39-F41 HydrophobicContact CG-CZ 4.42Å; W39-V65 WeakPolarHBondContact O-CA 3.11Å; W39-V66 PolarHBondContact N-O 3.32Å; W39-V66 PolarHBondContact O-N 2.73Å; W39-F92 HydrophobicContact CH2-CE1 4.39Å; W39-F92 HydrophobicContact CZ3-CE1 4.49Å; W39-F105 HydrophobicContact CH2-CD1 4.46Å; W39-F105 HydrophobicContact CH2-CE1 4.17Å; W39-F105 HydrophobicContact CZ2-CE1 4.29Å; W39-C118 WeakPolarHBondContact CH2-O 3.23Å; W39-T121 HydrophobicContact CE3-CG2 4.45Å; W39-T121 HydrophobicContact CH2-CG2 4.46Å; W39-T121 HydrophobicContact CZ3-CG2 3.81Å; W39-K141 HydrophobicContact CD2-CB 4.11Å; W39-K141 HydrophobicContact CE3-CB 4.26Å; W39-K141 HydrophobicContact CH2-CB 4.28Å; W39-K141 HydrophobicContact CZ2-CB 4.12Å; W39-K141 HydrophobicContact CZ2-CD 4.2Å; W39-K141 HydrophobicContact CZ2-CG 4.45Å; W39-K141 HydrophobicContact CZ3-CB 4.34Å
40	V	98.2	Very high	93.2	Very high	23 Å²	23	41.2 Å²	41.2	14%	0.139	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	118.1	170.7	175.3	0	0	0	0	108	K63 V65 G139 K140 V142	V40-K63 HydrophobicContact CG1-CD 4.04Å; V40-K63 HydrophobicContact CG1-CG 3.73Å; V40-V65 HydrophobicContact CG2-CG2 4.4Å; V40-G139 WeakPolarHBondContact O-CA 3.26Å; V40-K140 PolarHBondContact N-O 3.09Å; V40-K140 PolarHBondContact O-N 3.15Å; V40-V142 HydrophobicContact CG2-CG2 3.58Å
41	F	98.4	Very high	93.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	122.9	175.2	-58.1	-34.8	0	0	0	110.6	W39 K63 V64 V66 F92 I94 W101 F137 T138	W39-F41 HydrophobicContact CB-CD1 4.37Å; W39-F41 HydrophobicContact CB-CE1 3.66Å; W39-F41 HydrophobicContact CB-CZ 3.83Å; W39-F41 HydrophobicContact CD2-CE1 4.41Å; W39-F41 HydrophobicContact CE3-CE1 4.17Å; W39-F41 HydrophobicContact CG-CE1 4.25Å; W39-F41 HydrophobicContact CG-CZ 4.42Å; F41-K63 CarbonylContact O-C 3.51Å; F41-K63 WeakPolarHBondContact O-CA 3.14Å; F41-V64 HydrophobicContact CB-CB 4.43Å; F41-V64 PolarHBondContact N-O 3.34Å; F41-V64 PolarHBondContact O-N 2.87Å; F41-V66 HydrophobicContact CD2-CB 4.48Å; F41-V66 HydrophobicContact CD2-CG2 3.84Å; F41-V66 HydrophobicContact CE2-CB 3.92Å; F41-V66 HydrophobicContact CE2-CG2 3.63Å; F41-F92 HydrophobicContact CE1-CE2 4.3Å; F41-F92 HydrophobicContact CE1-CZ 4Å; F41-F92 AromaticContact CZ-CE2 3.93Å; F41-F92 HydrophobicContact CZ-CE2 3.93Å; F41-F92 HydrophobicContact CZ-CZ 4.08Å; F41-I94 HydrophobicContact CE2-CD1 3.78Å; F41-I94 HydrophobicContact CZ-CD1 3.64Å; F41-W101 HydrophobicContact CB-CE3 4.28Å; F41-W101 HydrophobicContact CB-CH2 4.38Å; F41-W101 HydrophobicContact CB-CZ3 3.71Å; F41-W101 AromaticContact CD2-CD2 3.96Å; F41-W101 HydrophobicContact CD2-CD2 3.96Å; F41-W101 AromaticContact CD2-CE3 3.48Å; F41-W101 HydrophobicContact CD2-CE3 3.48Å; F41-W101 VanDerWaalsContact CD2-CE3 3.48Å; F41-W101 HydrophobicContact CD2-CH2 4.21Å; F41-W101 AromaticContact CD2-CZ3 3.63Å; F41-W101 HydrophobicContact CD2-CZ3 3.63Å; F41-W101 HydrophobicContact CE2-CD2 4.2Å; F41-W101 HydrophobicContact CE2-CE3 4.06Å; F41-W101 HydrophobicContact CE2-CG 4.5Å; F41-W101 HydrophobicContact CG-CE3 4.05Å; F41-W101 AromaticContact CG-CZ3 3.97Å; F41-W101 HydrophobicContact CG-CZ3 3.97Å; F41-F137 HydrophobicContact CB-CD2 3.89Å; F41-F137 AromaticContact CD1-CD2 3.73Å; F41-F137 HydrophobicContact CD1-CD2 3.73Å; F41-F137 AromaticContact CD1-CE2 3.6Å; F41-F137 HydrophobicContact CD1-CE2 3.6Å; F41-F137 HydrophobicContact CD2-CE2 4.42Å; F41-F137 HydrophobicContact CE1-CD2 4.42Å; F41-F137 AromaticContact CE1-CE2 3.83Å; F41-F137 HydrophobicContact CE1-CE2 3.83Å; F41-F137 AromaticContact CG-CD2 3.81Å; F41-F137 HydrophobicContact CG-CD2 3.81Å; F41-F137 AromaticContact CG-CE2 3.94Å; F41-F137 HydrophobicContact CG-CE2 3.94Å; F41-F137 HydrophobicContact CZ-CE2 4.33Å; F41-T138 CarbonylContact C-O 3.59Å; F41-T138 WeakPolarHBondContact CA-O 3.4Å
42	Q	97.9	Very high	93.5	Very high	68 Å²	68	46.1 Å²	46.1	32%	0.318	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	115.8	172.4	-62.4	-66.6	-16.9	0	0	107.9	P60 F137 T138	Q42-P60 HydrophobicContact CB-CB 3.8Å; Q42-P60 HydrophobicContact CB-CG 4.29Å; Q42-F137 CarbonylContact O-C 3.51Å; Q42-F137 WeakPolarHBondContact O-CA 3.4Å; Q42-F137 WeakPolarHBondContact O-CB 3.37Å; Q42-T138 PolarHBondContact N-O 2.67Å; Q42-T138 PolarHBondContact O-N 3.34Å
43	V	97.6	Very high	93.7	Very high	10 Å²	10	48.9 Å²	48.9	6%	0.061	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	131.6	-171.9	-175.4	0	0	0	0	109.8	P60 E61 K62 V64 W101 V126 A135 C136 F137	V43-P60 CarbonylContact O-C 3.55Å; V43-P60 WeakPolarHBondContact O-CA 3.35Å; V43-E61 PolarHBondContact O-N 3.02Å; V43-K62 HydrophobicContact CB-CB 4.25Å; V43-K62 PolarHBondContact N-O 3.36Å; V43-K62 PolarHBondContact O-N 3.3Å; V43-K62 VanDerWaalsContact O-N 3.11Å; V43-V64 HydrophobicContact CG2-CG2 4.4Å; V43-W101 HydrophobicContact CG2-CH2 3.83Å; V43-W101 HydrophobicContact CG2-CZ3 3.75Å; V43-V126 HydrophobicContact CG1-CG1 4.13Å; V43-A135 HydrophobicContact CG1-CB 3.57Å; V43-C136 WeakPolarHBondContact CA-O 3.32Å; V43-F137 HydrophobicContact CG2-CB 4.07Å
44	G	94.8	Very high	93.9	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	172.1	175.4	0	0	0	0	0	111.8	S46 A135 C136	G44-S46 VanDerWaalsContact C-N 3.31Å; G44-S46 PolarHBondContact O-N 3.37Å; G44-A135 WeakPolarHBondContact O-CB 3.47Å; G44-C136 PolarHBondContact N-O 3.11Å; G44-C136 PolarHBondContact O-N 3.03Å; G44-C136 VanDerWaalsContact O-O 3.13Å
45	S	89.4	Confident	93.9	Very high	33 Å²	33	45.7 Å²	45.7	23%	0.231	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	58.6	40.8	-174.7	-51.1	0	0	0	0	112.7	S48	S45-S48 PolarHBondContact O-OG 3.33Å
46	S	84.8	Confident	93.7	Very high	38 Å²	38	50.9 Å²	50.9	27%	0.266	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	140.1	-174.4	-56.6	0	0	0	0	112.6	G44 S48 E61	G44-S46 VanDerWaalsContact C-N 3.31Å; G44-S46 PolarHBondContact O-N 3.37Å; S46-S48 VanDerWaalsContact C-N 3.32Å; S46-E61 WeakPolarHBondContact CB-OE2 3.46Å; S46-E61 PolarHBondContact OG-OE2 3.18Å
47	G	80.8	Confident	93.5	Very high	61 Å²	61	51.4 Å²	51.4	63%	0.629	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	76.4	20.9	174.2	0	0	0	0	0	113.8	W134	G47-W134 PolarHBondContact N-O 2.93Å
48	S	91.6	Very high	93	Very high	36 Å²	36	51.8 Å²	51.8	25%	0.252	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	171.3	171.5	-57.2	0	0	0	0	110.9	S45 S46 W134	S45-S48 PolarHBondContact O-OG 3.33Å; S46-S48 VanDerWaalsContact C-N 3.32Å; S48-W134 PolarHBondContact N-O 3.2Å; S48-W134 PolarHBondContact O-N 2.82Å
49	Q	94.8	Very high	92.6	Very high	140 Å²	140	55 Å²	55	65%	0.654	33%	0.328	S	S	*	.			trans	-99.1	-177.6	169.6	-62.1	-179.1	21.6	0	0	110.3	D51 V52 W134	Q49-D51 WeakPolarHBondContact CB-OD1 3.45Å; Q49-D51 PolarHBondContact O-N 2.78Å; Q49-V52 WeakPolarHBondContact O-CB 3.39Å; Q49-V52 PolarHBondContact O-N 2.83Å; Q49-W134 WeakPolarHBondContact O-CB 3.38Å
50	R	93.1	Very high	92.3	Very high	120 Å²	120	58.3 Å²	58.3	45%	0.453	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-18.9	-178.1	69.1	178.4	179	-172.4	-0.9	114.7	V52 W134 F314 Y341	R50-V52 PolarHBondContact O-N 3.27Å; R50-W134 HydrophobicContact CB-CD2 4.34Å; R50-W134 HydrophobicContact CB-CZ2 3.97Å; R50-F314 HydrophobicContact CB-CE1 4.32Å; R50-F314 WeakPolarHBondContact O-CE1 3.15Å; R50-Y341 PolarHBondContact NH1-OH 3.44Å
51	D	93.1	Very high	92.1	Very high	128 Å²	128	63 Å²	63	68%	0.684	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	7	176.5	66.2	-26.4	0	0	0	113.5	Q49 N53	Q49-D51 WeakPolarHBondContact CB-OD1 3.45Å; Q49-D51 PolarHBondContact O-N 2.78Å; D51-N53 PolarHBondContact O-N 3.05Å
52	V	95.1	Very high	91.9	Very high	15 Å²	15	68.9 Å²	68.9	9%	0.091	40%	0.395	C	S	.	.			trans	-54.9	125.9	177	67.4	0	0	0	0	111.8	Q49 R50 C54 W134 C136	Q49-V52 WeakPolarHBondContact O-CB 3.39Å; Q49-V52 PolarHBondContact O-N 2.83Å; R50-V52 PolarHBondContact O-N 3.27Å; V52-C54 PolarHBondContact O-N 2.78Å; V52-W134 HydrophobicContact CG1-CB 3.92Å; V52-W134 HydrophobicContact CG1-CE3 4.23Å; V52-C136 VanDerWaalsContact CG2-SG 3.59Å
53	N	94	Very high	91.8	Very high	85 Å²	85	72 Å²	72	46%	0.455	41%	0.408	S	S	.	.			trans	-91.7	91.1	177.6	-172.2	-7.7	0	0	0	111	D51 S55 V56	D51-N53 PolarHBondContact O-N 3.05Å; N53-S55 PolarHBondContact O-N 2.8Å; N53-S55 VanDerWaalsContact OD1-CB 3.29Å; N53-S55 WeakPolarHBondContact OD1-CB 3.37Å; N53-S55 PolarHBondContact OD1-N 2.84Å; N53-V56 HydrophobicContact CB-CG2 3.99Å; N53-V56 VanDerWaalsContact O-CG2 3.29Å; N53-V56 WeakPolarHBondContact O-CG2 3.33Å; N53-V56 PolarHBondContact O-N 3.09Å
54	C	94.9	Very high	91.8	Very high	3 Å²	3	73.8 Å²	73.8	2%	0.02	42%	0.419	C	S	.	.	G	3₁₀ helix	trans	-70.9	-9.9	-179.8	-65.7	0	0	0	0	114.9	V52 V56 M57 T123 W125 C136	V52-C54 PolarHBondContact O-N 2.78Å; C54-V56 PolarHBondContact O-N 3.05Å; C54-M57 PolarHBondContact O-N 2.69Å; C54-T123 HydrophobicContact CB-CG2 3.9Å; C54-T123 WeakPolarHBondContact O-CG2 3.48Å; C54-W125 VanDerWaalsContact SG-CD1 3.53Å; C54-C136 WeakPolarHBondContact CA-SG 3.45Å; C54-C136 HydrophobicContact CB-CB 3.77Å; C54-C136 WeakPolarHBondContact CB-SG 3.37Å; C54-C136 VanDerWaalsContact SG-CA 3.58Å; C54-C136 WeakPolarHBondContact SG-CB 3.16Å; C54-C136 CovalentContact SG-SG 2.04Å; C54-C136 PolarHBondContact SG-SG 2.72Å
55	S	91.3	Very high	91.9	Very high	96 Å²	96	75.1 Å²	75.1	67%	0.671	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-68	-18.3	172.3	-54.9	0	0	0	0	112.9	N53	N53-S55 PolarHBondContact O-N 2.8Å; N53-S55 VanDerWaalsContact OD1-CB 3.29Å; N53-S55 WeakPolarHBondContact OD1-CB 3.37Å; N53-S55 PolarHBondContact OD1-N 2.84Å
56	V	91.3	Very high	92.4	Very high	109 Å²	109	73.6 Å²	73.6	66%	0.661	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-121.1	31.3	-180	-63.6	0	0	0	0	112	N53 C54 G58	N53-V56 HydrophobicContact CB-CG2 3.99Å; N53-V56 VanDerWaalsContact O-CG2 3.29Å; N53-V56 WeakPolarHBondContact O-CG2 3.33Å; N53-V56 PolarHBondContact O-N 3.09Å; C54-V56 PolarHBondContact O-N 3.05Å; V56-G58 PolarHBondContact O-N 2.8Å
57	M	91.5	Very high	93	Very high	45 Å²	45	73.1 Å²	73.1	22%	0.222	41%	0.41	C	S	.	.			trans	-51.8	127.5	179.5	-172.9	-176.3	80.7	0	0	111.5	C54 T123 C136 T138	C54-M57 PolarHBondContact O-N 2.69Å; M57-T123 HydrophobicContact CB-CG2 4.16Å; M57-T123 HydrophobicContact SD-CG2 3.81Å; M57-C136 HydrophobicContact CB-CB 4.11Å; M57-C136 HydrophobicContact CG-CB 3.67Å; M57-C136 HydrophobicContact SD-CB 3.52Å; M57-C136 VanDerWaalsContact SD-CB 3.52Å; M57-T138 HydrophobicContact CE-CG2 3.96Å
58	G	84.7	Confident	93.8	Very high	36 Å²	36	70.3 Å²	70.3	37%	0.371	38%	0.38	S	S	.	.			trans	-73.8	-168.1	175	0	0	0	0	0	113.4	V56	V56-G58 PolarHBondContact O-N 2.8Å
59	P	89.1	Confident	94.1	Very high	110 Å²	110	73.4 Å²	73.4	71%	0.714	39%	0.391	S	S	*	.	S	Bend	trans	-62	143.5	176.7	27.4	-34	0	0	0	111.1
60	P	92	Very high	94	Very high	68 Å²	68	74.5 Å²	74.5	44%	0.442	39%	0.393	S	S	.	.			trans	-69.2	139.4	178	28.6	-33.6	0	0	0	111.3	Q42 V43	Q42-P60 HydrophobicContact CB-CB 3.8Å; Q42-P60 HydrophobicContact CB-CG 4.29Å; V43-P60 CarbonylContact O-C 3.55Å; V43-P60 WeakPolarHBondContact O-CA 3.35Å
61	E	93.5	Very high	93.9	Very high	123 Å²	123	73.1 Å²	73.1	58%	0.575	40%	0.395	S	S	*	.			trans	-105.1	-31	-176.8	-64.1	164	-164.8	0	0	112.1	V43 S46	V43-E61 PolarHBondContact O-N 3.02Å; S46-E61 WeakPolarHBondContact CB-OE2 3.46Å; S46-E61 PolarHBondContact OG-OE2 3.18Å
62	K	94.6	Very high	94	Very high	123 Å²	123	68.8 Å²	68.8	54%	0.535	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	152.4	-173.3	-63.2	174.9	-175.6	171.7	0	110.8	V43	V43-K62 HydrophobicContact CB-CB 4.25Å; V43-K62 PolarHBondContact N-O 3.36Å; V43-K62 PolarHBondContact O-N 3.3Å; V43-K62 VanDerWaalsContact O-N 3.11Å
63	K	96.2	Very high	94.1	Very high	132 Å²	132	70.6 Å²	70.6	57%	0.574	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121	129.7	174.6	-178	-171.1	170.9	-168.9	0	109	V40 F41	V40-K63 HydrophobicContact CG1-CD 4.04Å; V40-K63 HydrophobicContact CG1-CG 3.73Å; F41-K63 CarbonylContact O-C 3.51Å; F41-K63 WeakPolarHBondContact O-CA 3.14Å
64	V	97.1	Very high	94.4	Very high	48 Å²	48	66.5 Å²	66.5	29%	0.291	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	137	174.1	-178.1	0	0	0	0	108.8	F41 V43 V66 W101	F41-V64 HydrophobicContact CB-CB 4.43Å; F41-V64 PolarHBondContact N-O 3.34Å; F41-V64 PolarHBondContact O-N 2.87Å; V43-V64 HydrophobicContact CG2-CG2 4.4Å; V64-V66 HydrophobicContact CG1-CG2 4.02Å; V64-W101 HydrophobicContact CB-CH2 3.84Å; V64-W101 HydrophobicContact CB-CZ2 4.31Å; V64-W101 HydrophobicContact CG1-CH2 4.04Å; V64-W101 HydrophobicContact CG1-CZ2 4Å; V64-W101 HydrophobicContact CG2-CH2 3.76Å; V64-W101 HydrophobicContact CG2-CZ2 4.28Å
65	V	98.1	Very high	94.5	Very high	29 Å²	29	69.7 Å²	69.7	18%	0.176	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	129.7	175.8	-176.9	0	0	0	0	108.1	T38 W39 V40	T38-V65 HydrophobicContact CG2-CG1 3.64Å; W39-V65 WeakPolarHBondContact O-CA 3.11Å; V40-V65 HydrophobicContact CG2-CG2 4.4Å
66	V	98.4	Very high	94.8	Very high	1 Å²	1	66 Å²	66	1%	0.006	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	137.4	179.3	-177.9	0	0	0	0	109.3	W39 F41 V64 L68 A74 I94 L96	W39-V66 PolarHBondContact N-O 3.32Å; W39-V66 PolarHBondContact O-N 2.73Å; F41-V66 HydrophobicContact CD2-CB 4.48Å; F41-V66 HydrophobicContact CD2-CG2 3.84Å; F41-V66 HydrophobicContact CE2-CB 3.92Å; F41-V66 HydrophobicContact CE2-CG2 3.63Å; V64-V66 HydrophobicContact CG1-CG2 4.02Å; V66-L68 HydrophobicContact CG1-CD2 3.82Å; V66-A74 HydrophobicContact CG1-CB 4.39Å; V66-I94 HydrophobicContact CG1-CD1 4.32Å; V66-I94 HydrophobicContact CG1-CG2 4.45Å; V66-L96 HydrophobicContact CG1-CD2 3.95Å; V66-L96 HydrophobicContact CG2-CD2 4.21Å
67	H	98.2	Very high	94.9	Very high	27 Å²	27	66.4 Å²	66.4	13%	0.125	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	128.3	176.9	-57.5	-79.3	0	0	0	110.2	T38 A74 Y75 D77	T38-H67 VanDerWaalsContact CG2-CE1 3.43Å; T38-H67 WeakPolarHBondContact CG2-CE1 3.49Å; T38-H67 WeakPolarHBondContact CG2-ND1 3.43Å; T38-H67 PolarHBondContact OG1-CE1 3.19Å; T38-H67 PolarHBondContact OG1-ND1 3.41Å; H67-A74 CarbonylContact O-C 3.52Å; H67-A74 WeakPolarHBondContact O-CA 3.31Å; H67-Y75 HydrophobicContact CB-CD1 3.83Å; H67-Y75 HydrophobicContact CB-CD2 3.97Å; H67-Y75 HydrophobicContact CB-CE1 3.35Å; H67-Y75 HydrophobicContact CB-CE2 3.52Å; H67-Y75 HydrophobicContact CB-CG 4.11Å; H67-Y75 WeakPolarHBondContact CB-OH 3.26Å; H67-Y75 AromaticContact CD2-CD2 3.73Å; H67-Y75 AromaticContact CD2-CE2 3.3Å; H67-Y75 WeakPolarHBondContact CD2-CE2 3.4Å; H67-Y75 AromaticContact CD2-CZ 3.88Å; H67-Y75 AromaticContact CG-CE2 3.51Å; H67-Y75 AromaticContact CG-CZ 3.56Å; H67-Y75 PolarHBondContact N-O 3.39Å; H67-Y75 PolarHBondContact O-N 2.71Å; H67-D77 IonicContact NE2-OD1 3.58Å; H67-D77 PolarHBondContact NE2-OD1 3.21Å
68	L	97.9	Very high	95.1	Very high	3 Å²	3	71.2 Å²	71.2	2%	0.016	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	116.6	179.8	-53.5	-177	0	0	0	109.5	L35 G37 V66 A74 F84 I94	L35-L68 HydrophobicContact CD1-CD1 3.54Å; L35-L68 HydrophobicContact CG-CD1 3.76Å; G37-L68 PolarHBondContact N-O 2.83Å; G37-L68 PolarHBondContact O-N 2.93Å; V66-L68 HydrophobicContact CG1-CD2 3.82Å; L68-A74 HydrophobicContact CD2-CB 3.78Å; L68-F84 HydrophobicContact CB-CD1 4.14Å; L68-F84 HydrophobicContact CB-CE1 3.9Å; L68-F84 HydrophobicContact CB-CZ 4.13Å; L68-F84 HydrophobicContact CD1-CD2 4.38Å; L68-F84 HydrophobicContact CD1-CG 4.45Å; L68-F84 HydrophobicContact CD2-CB 4.1Å; L68-F84 HydrophobicContact CD2-CD1 3.8Å; L68-F84 HydrophobicContact CD2-CE1 4.42Å; L68-F84 HydrophobicContact CD2-CG 3.92Å; L68-F84 HydrophobicContact CG-CD1 4.44Å; L68-I94 HydrophobicContact CD1-CD1 4.18Å; L68-I94 HydrophobicContact CD2-CD1 3.87Å; L68-I94 HydrophobicContact CD2-CG1 4Å
69	Q	96.4	Very high	95.5	Very high	101 Å²	101	72.4 Å²	72.4	47%	0.472	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	144.8	-179.2	-75.8	-174.2	10.1	0	0	111.5	D72 T73 Y75 F84	Q69-D72 PolarHBondContact O-N 2.84Å; Q69-T73 PolarHBondContact N-O 2.72Å; Q69-T73 PolarHBondContact O-N 2.83Å; Q69-Y75 HydrophobicContact CG-CE1 3.82Å; Q69-Y75 VanDerWaalsContact NE2-CE1 3.34Å; Q69-Y75 PolarHBondContact NE2-OH 2.75Å; Q69-F84 WeakPolarHBondContact O-CE1 3.4Å
70	K	92.7	Very high	95.9	Very high	163 Å²	163	69.9 Å²	69.9	71%	0.709	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	142.5	176.5	64	174.3	-176.6	176.5	0	111.7	Y32 L36	Y32-K70 VanDerWaalsContact OH-CA 3.25Å; Y32-K70 WeakPolarHBondContact OH-CA 3.36Å; Y32-K70 WeakPolarHBondContact OH-CB 3.36Å; L36-K70 HydrophobicContact CD1-CB 4.21Å
71	L	91.8	Very high	96.2	Very high	91 Å²	91	71.2 Å²	71.2	48%	0.476	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	cis	-89.2	-27.4	2	-67.3	173.2	0	0	0	114.2	Y32 F351	Y32-L71 VanDerWaalsContact OH-C 3.29Å; Y32-L71 WeakPolarHBondContact OH-CA 3.35Å; Y32-L71 PolarHBondContact OH-O 2.95Å; L71-F351 HydrophobicContact CB-CE1 4.29Å; L71-F351 HydrophobicContact CB-CE2 4.41Å; L71-F351 HydrophobicContact CB-CZ 3.96Å; L71-F351 HydrophobicContact CD1-CZ 4.18Å
72	D	95.6	Very high	96.4	Very high	36 Å²	36	66 Å²	66	19%	0.193	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-154.4	13.5	-173.5	68.7	-38.9	0	0	0	112	Q69 H83 F84 F351	Q69-D72 PolarHBondContact O-N 2.84Å; D72-H83 CarbonylContact O-C 3.51Å; D72-H83 WeakPolarHBondContact O-CA 3.44Å; D72-H83 IonicContact OD2-CE1 2.71Å; D72-H83 IonicContact OD2-CG 3.43Å; D72-H83 IonicContact OD2-ND1 3.72Å; D72-H83 PolarHBondContact OD2-ND1 2.8Å; D72-F84 WeakPolarHBondContact CB-O 3.29Å; D72-F84 VanDerWaalsContact O-CD1 3.27Å; D72-F84 WeakPolarHBondContact O-CD1 3.47Å; D72-F84 PolarHBondContact O-N 2.88Å; D72-F351 HydrophobicContact CB-CB 4.17Å; D72-F351 HydrophobicContact CB-CD1 3.82Å; D72-F351 HydrophobicContact CB-CE1 4.49Å; D72-F351 HydrophobicContact CB-CG 4.04Å
73	T	97.9	Very high	96.5	Very high	53 Å²	53	65.7 Å²	65.7	33%	0.325	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	125.8	-174.4	-54.6	0	0	0	0	111.8	Q69 F84	Q69-T73 PolarHBondContact N-O 2.72Å; Q69-T73 PolarHBondContact O-N 2.83Å; T73-F84 WeakPolarHBondContact O-CD1 3.41Å; T73-F84 WeakPolarHBondContact O-CE1 3.33Å
74	A	98.4	Very high	96.6	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	141.1	167.7	0	0	0	0	0	110.2	V66 H67 L68 S81 G82 F84 I94	V66-A74 HydrophobicContact CG1-CB 4.39Å; H67-A74 CarbonylContact O-C 3.52Å; H67-A74 WeakPolarHBondContact O-CA 3.31Å; L68-A74 HydrophobicContact CD2-CB 3.78Å; A74-S81 CarbonylContact O-C 3.59Å; A74-S81 WeakPolarHBondContact O-CA 3.24Å; A74-G82 PolarHBondContact N-O 3.45Å; A74-G82 PolarHBondContact O-N 3.25Å; A74-F84 HydrophobicContact CB-CB 4.49Å; A74-F84 HydrophobicContact CB-CD1 4.37Å; A74-I94 HydrophobicContact CB-CG2 3.68Å
75	Y	98.3	Very high	96.6	Very high	69 Å²	69	57.8 Å²	57.8	27%	0.271	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	159.8	171.5	66.5	-85.2	0	0	0	112.3	H67 Q69 N80	H67-Y75 HydrophobicContact CB-CD1 3.83Å; H67-Y75 HydrophobicContact CB-CD2 3.97Å; H67-Y75 HydrophobicContact CB-CE1 3.35Å; H67-Y75 HydrophobicContact CB-CE2 3.52Å; H67-Y75 HydrophobicContact CB-CG 4.11Å; H67-Y75 WeakPolarHBondContact CB-OH 3.26Å; H67-Y75 AromaticContact CD2-CD2 3.73Å; H67-Y75 AromaticContact CD2-CE2 3.3Å; H67-Y75 WeakPolarHBondContact CD2-CE2 3.4Å; H67-Y75 AromaticContact CD2-CZ 3.88Å; H67-Y75 AromaticContact CG-CE2 3.51Å; H67-Y75 AromaticContact CG-CZ 3.56Å; H67-Y75 PolarHBondContact N-O 3.39Å; H67-Y75 PolarHBondContact O-N 2.71Å; Q69-Y75 HydrophobicContact CG-CE1 3.82Å; Q69-Y75 VanDerWaalsContact NE2-CE1 3.34Å; Q69-Y75 PolarHBondContact NE2-OH 2.75Å; Y75-N80 WeakPolarHBondContact CA-O 3.27Å; Y75-N80 WeakPolarHBondContact CB-O 3.37Å
76	D	96.9	Very high	96.6	Very high	19 Å²	19	56.5 Å²	56.5	10%	0.102	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	174.8	176.7	67.1	17.1	0	0	0	112.7	L78 G79 N80 L96	D76-L78 PolarHBondContact O-N 2.88Å; D76-L78 VanDerWaalsContact O-N 3.15Å; D76-L78 WeakPolarHBondContact OD1-CA 3.3Å; D76-L78 WeakPolarHBondContact OD1-CB 3.05Å; D76-L78 PolarHBondContact OD1-N 3.02Å; D76-G79 PolarHBondContact O-N 2.01Å; D76-G79 VanDerWaalsContact O-N 3.09Å; D76-G79 PolarHBondContact OD1-N 2.94Å; D76-G79 VanDerWaalsContact OD1-N 3.09Å; D76-N80 PolarHBondContact N-O 2.04Å; D76-N80 WeakPolarHBondContact OD1-CB 3.44Å; D76-N80 PolarHBondContact OD1-N 3.21Å; D76-N80 PolarHBondContact OD1-ND2 3.32Å; D76-N80 WeakPolarHBondContact OD2-CB 3.38Å; D76-N80 PolarHBondContact OD2-ND2 3.24Å; D76-L96 HydrophobicContact CB-CD2 4.16Å
77	D	94.6	Very high	96.4	Very high	117 Å²	117	56.5 Å²	56.5	63%	0.626	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-14.2	178.5	-69.3	-36.6	0	0	0	113.5	H67	H67-D77 IonicContact NE2-OD1 3.58Å; H67-D77 PolarHBondContact NE2-OD1 3.21Å
78	L	94.9	Very high	96.1	Very high	146 Å²	146	56.1 Å²	56.1	76%	0.764	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-3.7	177.8	-59.1	177	0	0	0	112.4	D76	D76-L78 PolarHBondContact O-N 2.88Å; D76-L78 VanDerWaalsContact O-N 3.15Å; D76-L78 WeakPolarHBondContact OD1-CA 3.3Å; D76-L78 WeakPolarHBondContact OD1-CB 3.05Å; D76-L78 PolarHBondContact OD1-N 3.02Å
79	G	93	Very high	95.7	Very high	61 Å²	61	56.1 Å²	56.1	63%	0.629	30%	0.304	S	S	*	.			trans	82.4	10.8	-178.6	0	0	0	0	0	114	D76	D76-G79 PolarHBondContact O-N 2.01Å; D76-G79 VanDerWaalsContact O-N 3.09Å; D76-G79 PolarHBondContact OD1-N 2.94Å; D76-G79 VanDerWaalsContact OD1-N 3.09Å
80	N	97.5	Very high	95.6	Very high	57 Å²	57	51.4 Å²	51.4	31%	0.305	28%	0.283	S	S	.	.			trans	-67.6	143.2	169.2	-58.1	-57	0	0	0	108.8	Y75 D76 L96 N97	Y75-N80 WeakPolarHBondContact CA-O 3.27Å; Y75-N80 WeakPolarHBondContact CB-O 3.37Å; D76-N80 PolarHBondContact N-O 2.04Å; D76-N80 WeakPolarHBondContact OD1-CB 3.44Å; D76-N80 PolarHBondContact OD1-N 3.21Å; D76-N80 PolarHBondContact OD1-ND2 3.32Å; D76-N80 WeakPolarHBondContact OD2-CB 3.38Å; D76-N80 PolarHBondContact OD2-ND2 3.24Å; N80-L96 HydrophobicContact CB-CD1 4.3Å; N80-N97 HydrophobicContact CB-CB 4.44Å
81	S	97.3	Very high	95.8	Very high	97 Å²	97	43.7 Å²	43.7	68%	0.678	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-121.5	152.8	178.4	59.3	0	0	0	0	111.1	A74 L96	A74-S81 CarbonylContact O-C 3.59Å; A74-S81 WeakPolarHBondContact O-CA 3.24Å; S81-L96 VanDerWaalsContact C-CD1 3.48Å
82	G	98	Very high	96.1	Very high	12 Å²	12	39.3 Å²	39.3	12%	0.124	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	-161.4	-178.8	0	0	0	0	0	110.3	A74 V95	A74-G82 PolarHBondContact N-O 3.45Å; A74-G82 PolarHBondContact O-N 3.25Å; G82-V95 CarbonylContact C-O 3.35Å; G82-V95 WeakPolarHBondContact CA-O 3.08Å
83	H	98.1	Very high	96.2	Very high	117 Å²	117	37.8 Å²	37.8	54%	0.542	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	156.1	-172.5	-62.1	-87.8	0	0	0	112.2	D72 I94 V95	D72-H83 CarbonylContact O-C 3.51Å; D72-H83 WeakPolarHBondContact O-CA 3.44Å; D72-H83 IonicContact OD2-CE1 2.71Å; D72-H83 IonicContact OD2-CG 3.43Å; D72-H83 IonicContact OD2-ND1 3.72Å; D72-H83 PolarHBondContact OD2-ND1 2.8Å; H83-I94 WeakPolarHBondContact O-CA 3.2Å; H83-V95 PolarHBondContact N-O 3.29Å; H83-V95 PolarHBondContact O-N 3.43Å
84	F	98.3	Very high	96.3	Very high	7 Å²	7	35.3 Å²	35.3	3%	0.031	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	157.3	169.2	77.7	-85.1	0	0	0	111.5	Y32 L35 L36 L68 Q69 D72 T73 A74 E93 I94	Y32-F84 AromaticContact CE2-CE2 3.83Å; Y32-F84 HydrophobicContact CE2-CE2 3.83Å; Y32-F84 AromaticContact CE2-CZ 3.99Å; Y32-F84 HydrophobicContact CE2-CZ 3.99Å; L35-F84 HydrophobicContact CD2-CD2 3.69Å; L35-F84 HydrophobicContact CD2-CE2 3.72Å; L35-F84 HydrophobicContact CG-CD2 4.35Å; L35-F84 HydrophobicContact CG-CE2 4.19Å; L36-F84 HydrophobicContact CD2-CE2 4.43Å; L36-F84 HydrophobicContact CD2-CZ 3.69Å; L68-F84 HydrophobicContact CB-CD1 4.14Å; L68-F84 HydrophobicContact CB-CE1 3.9Å; L68-F84 HydrophobicContact CB-CZ 4.13Å; L68-F84 HydrophobicContact CD1-CD2 4.38Å; L68-F84 HydrophobicContact CD1-CG 4.45Å; L68-F84 HydrophobicContact CD2-CB 4.1Å; L68-F84 HydrophobicContact CD2-CD1 3.8Å; L68-F84 HydrophobicContact CD2-CE1 4.42Å; L68-F84 HydrophobicContact CD2-CG 3.92Å; L68-F84 HydrophobicContact CG-CD1 4.44Å; Q69-F84 WeakPolarHBondContact O-CE1 3.4Å; D72-F84 WeakPolarHBondContact CB-O 3.29Å; D72-F84 VanDerWaalsContact O-CD1 3.27Å; D72-F84 WeakPolarHBondContact O-CD1 3.47Å; D72-F84 PolarHBondContact O-N 2.88Å; T73-F84 WeakPolarHBondContact O-CD1 3.41Å; T73-F84 WeakPolarHBondContact O-CE1 3.33Å; A74-F84 HydrophobicContact CB-CB 4.49Å; A74-F84 HydrophobicContact CB-CD1 4.37Å; F84-E93 CarbonylContact C-O 3.57Å; F84-E93 WeakPolarHBondContact CA-O 3.36Å; F84-E93 WeakPolarHBondContact CB-O 3.3Å; F84-I94 HydrophobicContact CB-CB 4.31Å; F84-I94 HydrophobicContact CB-CG1 3.73Å
85	T	97.4	Very high	96.3	Very high	7 Å²	7	37.8 Å²	37.8	4%	0.043	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	143.1	166.2	-173.8	0	0	0	0	109.9	F92 E93 Y304 Y347 Y352	T85-F92 VanDerWaalsContact O-CA 3.29Å; T85-F92 WeakPolarHBondContact O-CA 3.37Å; T85-F92 WeakPolarHBondContact O-CB 3.33Å; T85-E93 PolarHBondContact N-O 3.18Å; T85-E93 PolarHBondContact O-N 3.28Å; T85-Y304 HydrophobicContact CG2-CE1 4.31Å; T85-Y304 HydrophobicContact CG2-CE2 4.1Å; T85-Y304 WeakPolarHBondContact CG2-OH 3.34Å; T85-Y347 HydrophobicContact CG2-CD2 4.09Å; T85-Y347 HydrophobicContact CG2-CE2 4.14Å; T85-Y347 WeakPolarHBondContact OG1-CD2 3.33Å; T85-Y352 PolarHBondContact OG1-N 2.99Å
86	I	96.4	Very high	96.3	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.01	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	148.7	159.1	-164.7	170.6	0	0	0	108.3	Y32 L35 G91 F105 Y352	Y32-I86 HydrophobicContact CD2-CG2 4.15Å; L35-I86 HydrophobicContact CD2-CB 3.76Å; L35-I86 HydrophobicContact CD2-CG1 4.19Å; I86-G91 VanDerWaalsContact CG1-O 3.28Å; I86-G91 WeakPolarHBondContact CG1-O 3.43Å; I86-F105 HydrophobicContact CD1-CE2 4.09Å; I86-F105 HydrophobicContact CD1-CZ 4.35Å; I86-F105 HydrophobicContact CG1-CE2 4.26Å; I86-Y352 HydrophobicContact CG2-CD1 3.45Å; I86-Y352 VanDerWaalsContact CG2-CD1 3.45Å; I86-Y352 HydrophobicContact CG2-CE1 4.35Å; I86-Y352 HydrophobicContact CG2-CG 4.08Å; I86-Y352 WeakPolarHBondContact O-CB 3.08Å
87	I	95.6	Very high	96.3	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	96.2	177.4	-59	174.1	0	0	0	106.6	N89 Q90 G91 E93 F102 F302 Y304 L305	I87-N89 PolarHBondContact O-N 2.94Å; I87-Q90 PolarHBondContact O-N 2.91Å; I87-G91 PolarHBondContact N-O 3.18Å; I87-E93 HydrophobicContact CD1-CB 4.29Å; I87-F102 HydrophobicContact CD1-CD2 3.93Å; I87-F102 HydrophobicContact CD1-CE2 3.85Å; I87-F302 HydrophobicContact CG2-CB 4.23Å; I87-F302 HydrophobicContact CG2-CG 4.26Å; I87-Y304 HydrophobicContact CD1-CD1 3.86Å; I87-Y304 HydrophobicContact CD1-CE1 4Å; I87-Y304 HydrophobicContact CG1-CD1 4.08Å; I87-Y304 HydrophobicContact CG1-CE1 4.28Å; I87-L305 HydrophobicContact CD1-CD1 4.26Å; I87-L305 HydrophobicContact CD1-CD2 3.58Å; I87-L305 HydrophobicContact CD1-CG 3.94Å; I87-L305 HydrophobicContact CG2-CD1 4.13Å; I87-L305 HydrophobicContact CG2-CG 4.2Å
88	Y	91.8	Very high	96.4	Very high	19 Å²	19	38.1 Å²	38.1	8%	0.075	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	49	-101.7	-170.3	-173.9	-124.2	0	0	0	111.4	R210 F302 Y352 N404 I453	Y88-R210 PolarHBondContact OH-N 2.79Å; Y88-R210 PolarHBondContact OH-O 3.08Å; Y88-F302 AromaticContact CD1-CE1 3.5Å; Y88-F302 HydrophobicContact CD1-CE1 3.5Å; Y88-F302 AromaticContact CD1-CZ 3.61Å; Y88-F302 HydrophobicContact CD1-CZ 3.61Å; Y88-F302 HydrophobicContact CE1-CE1 4.49Å; Y88-F302 HydrophobicContact CE1-CZ 4.48Å; Y88-F302 AromaticContact CG-CE1 3.63Å; Y88-F302 HydrophobicContact CG-CE1 3.63Å; Y88-F302 HydrophobicContact CG-CZ 4.19Å; Y88-Y352 HydrophobicContact CD2-CE2 4.18Å; Y88-Y352 AromaticContact CD2-CZ 3.91Å; Y88-Y352 WeakPolarHBondContact CD2-OH 3.48Å; Y88-N404 WeakPolarHBondContact CE1-ND2 3.34Å; Y88-I453 HydrophobicContact CD2-CD1 4.32Å
89	N	89.8	Confident	96.6	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.016	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.9	13.9	176.5	68	-11.1	0	0	0	113.3	N29 C30 I87 I212	N29-N89 PolarHBondContact OD1-ND2 2.99Å; C30-N89 PolarHBondContact N-O 2.77Å; C30-N89 WeakPolarHBondContact O-CA 3.31Å; C30-N89 WeakPolarHBondContact O-CB 3.36Å; I87-N89 PolarHBondContact O-N 2.94Å; N89-I212 HydrophobicContact CB-CD1 3.23Å; N89-I212 WeakPolarHBondContact ND2-CD1 3.48Å
90	Q	93	Very high	96.9	Very high	3 Å²	3	33.7 Å²	33.7	1%	0.014	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-37.3	-163.8	-63	-69.4	-61.1	0	0	112.5	T26 A28 I87 F104 F105 F302	T26-Q90 VanDerWaalsContact N-OE1 3.07Å; T26-Q90 PolarHBondContact O-NE2 3.24Å; T26-Q90 PolarHBondContact OG1-OE1 2.9Å; A28-Q90 PolarHBondContact O-NE2 2.97Å; A28-Q90 VanDerWaalsContact O-NE2 3.12Å; I87-Q90 PolarHBondContact O-N 2.91Å; Q90-F104 HydrophobicContact CB-CD1 3.92Å; Q90-F104 HydrophobicContact CB-CE1 4.05Å; Q90-F104 CarbonylContact O-C 3.58Å; Q90-F104 WeakPolarHBondContact O-CA 3.33Å; Q90-F105 VanDerWaalsContact C-CD2 3.44Å; Q90-F105 WeakPolarHBondContact O-CD2 3.33Å; Q90-F105 PolarHBondContact O-N 3.22Å; Q90-F302 HydrophobicContact CB-CE2 4.44Å; Q90-F302 HydrophobicContact CG-CD2 4.13Å; Q90-F302 HydrophobicContact CG-CE1 4.47Å; Q90-F302 HydrophobicContact CG-CE2 3.38Å; Q90-F302 HydrophobicContact CG-CZ 3.57Å
91	G	96.7	Very high	97	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174	-162.4	-173.5	0	0	0	0	0	111.2	I86 I87 A103	I86-G91 VanDerWaalsContact CG1-O 3.28Å; I86-G91 WeakPolarHBondContact CG1-O 3.43Å; I87-G91 PolarHBondContact N-O 3.18Å; G91-A103 WeakPolarHBondContact CA-O 3.29Å
92	F	98.4	Very high	97	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	156.6	179.7	58	-96.5	0	0	0	111.4	L35 W39 F41 T85 I94 F102 A103 F105 T121	L35-F92 HydrophobicContact CD1-CB 3.81Å; L35-F92 HydrophobicContact CD1-CD1 3.36Å; L35-F92 HydrophobicContact CD1-CD2 4.38Å; L35-F92 HydrophobicContact CD1-CE1 3.94Å; L35-F92 HydrophobicContact CD1-CG 3.6Å; L35-F92 HydrophobicContact CD2-CB 3.65Å; L35-F92 HydrophobicContact CD2-CG 4.38Å; L35-F92 HydrophobicContact CG-CB 4.41Å; W39-F92 HydrophobicContact CH2-CE1 4.39Å; W39-F92 HydrophobicContact CZ3-CE1 4.49Å; F41-F92 HydrophobicContact CE1-CE2 4.3Å; F41-F92 HydrophobicContact CE1-CZ 4Å; F41-F92 AromaticContact CZ-CE2 3.93Å; F41-F92 HydrophobicContact CZ-CE2 3.93Å; F41-F92 HydrophobicContact CZ-CZ 4.08Å; T85-F92 VanDerWaalsContact O-CA 3.29Å; T85-F92 WeakPolarHBondContact O-CA 3.37Å; T85-F92 WeakPolarHBondContact O-CB 3.33Å; F92-I94 HydrophobicContact CD2-CD1 3.81Å; F92-I94 HydrophobicContact CD2-CG1 3.95Å; F92-I94 HydrophobicContact CE2-CD1 3.66Å; F92-I94 HydrophobicContact CE2-CG1 4.3Å; F92-F102 WeakPolarHBondContact O-CA 3.29Å; F92-F102 WeakPolarHBondContact O-CD2 3.35Å; F92-A103 PolarHBondContact N-O 3.39Å; F92-A103 VanDerWaalsContact N-O 3.13Å; F92-A103 PolarHBondContact O-N 3.16Å; F92-F105 AromaticContact CD1-CE1 3.9Å; F92-F105 HydrophobicContact CD1-CE1 3.9Å; F92-F105 AromaticContact CD1-CZ 3.99Å; F92-F105 HydrophobicContact CD1-CZ 3.99Å; F92-F105 HydrophobicContact CE1-CE1 4.16Å; F92-T121 HydrophobicContact CE1-CG2 3.61Å; F92-T121 HydrophobicContact CZ-CG2 3.69Å
93	E	98.8	Very high	97.1	Very high	4 Å²	4	26.7 Å²	26.7	2%	0.019	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	138.6	164.1	-171.5	176.2	-122.2	0	0	110.1	F84 T85 I87 W101 Y304 K309 Y345	F84-E93 CarbonylContact C-O 3.57Å; F84-E93 WeakPolarHBondContact CA-O 3.36Å; F84-E93 WeakPolarHBondContact CB-O 3.3Å; T85-E93 PolarHBondContact N-O 3.18Å; T85-E93 PolarHBondContact O-N 3.28Å; I87-E93 HydrophobicContact CD1-CB 4.29Å; E93-W101 CarbonylContact C-O 3.39Å; E93-W101 WeakPolarHBondContact CA-O 3.03Å; E93-Y304 HydrophobicContact CB-CE1 4.26Å; E93-Y304 VanDerWaalsContact OE2-CE1 3.29Å; E93-Y304 WeakPolarHBondContact OE2-CE1 3.05Å; E93-Y304 VanDerWaalsContact OE2-CZ 3.31Å; E93-Y304 PolarHBondContact OE2-OH 2.86Å; E93-K309 WeakPolarHBondContact OE1-CD 3.39Å; E93-K309 IonicContact OE1-NZ 3.69Å; E93-Y345 VanDerWaalsContact CD-OH 3.3Å; E93-Y345 PolarHBondContact OE1-OH 3.29Å; E93-Y345 VanDerWaalsContact OE2-CE2 3.24Å; E93-Y345 WeakPolarHBondContact OE2-CE2 3.2Å; E93-Y345 PolarHBondContact OE2-OH 3.31Å
94	I	98.8	Very high	97.1	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	132.4	174.2	-57.8	157.3	0	0	0	108.1	F41 V66 L68 A74 H83 F84 F92 L96 K100 W101	F41-I94 HydrophobicContact CE2-CD1 3.78Å; F41-I94 HydrophobicContact CZ-CD1 3.64Å; V66-I94 HydrophobicContact CG1-CD1 4.32Å; V66-I94 HydrophobicContact CG1-CG2 4.45Å; L68-I94 HydrophobicContact CD1-CD1 4.18Å; L68-I94 HydrophobicContact CD2-CD1 3.87Å; L68-I94 HydrophobicContact CD2-CG1 4Å; A74-I94 HydrophobicContact CB-CG2 3.68Å; H83-I94 WeakPolarHBondContact O-CA 3.2Å; F84-I94 HydrophobicContact CB-CB 4.31Å; F84-I94 HydrophobicContact CB-CG1 3.73Å; F92-I94 HydrophobicContact CD2-CD1 3.81Å; F92-I94 HydrophobicContact CD2-CG1 3.95Å; F92-I94 HydrophobicContact CE2-CD1 3.66Å; F92-I94 HydrophobicContact CE2-CG1 4.3Å; I94-L96 HydrophobicContact CG2-CB 3.96Å; I94-K100 CarbonylContact O-C 3.6Å; I94-K100 VanDerWaalsContact O-CA 3.3Å; I94-K100 WeakPolarHBondContact O-CA 2.94Å; I94-W101 HydrophobicContact CB-CB 4.16Å; I94-W101 HydrophobicContact CB-CG 4.49Å; I94-W101 PolarHBondContact N-O 2.7Å; I94-W101 PolarHBondContact O-N 3.41Å
95	V	98.6	Very high	97	Very high	52 Å²	52	21.6 Å²	21.6	32%	0.315	11%	0.107	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	109.7	169.5	-173.6	0	0	0	0	107.7	G82 H83 Y99 K100 V129	G82-V95 CarbonylContact C-O 3.35Å; G82-V95 WeakPolarHBondContact CA-O 3.08Å; H83-V95 PolarHBondContact N-O 3.29Å; H83-V95 PolarHBondContact O-N 3.43Å; V95-Y99 WeakPolarHBondContact CA-O 3.36Å; V95-K100 HydrophobicContact CG1-CG 4.47Å; V95-K100 HydrophobicContact CG2-CD 4.47Å; V95-K100 HydrophobicContact CG2-CG 4.15Å; V95-V129 HydrophobicContact CG1-CG1 4.31Å
96	L	98.4	Very high	96.9	Very high	7 Å²	7	24.6 Å²	24.6	4%	0.037	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	131.8	-174.6	178.4	64	0	0	0	110.1	V66 D76 N80 S81 I94 D98 Y99	V66-L96 HydrophobicContact CG1-CD2 3.95Å; V66-L96 HydrophobicContact CG2-CD2 4.21Å; D76-L96 HydrophobicContact CB-CD2 4.16Å; N80-L96 HydrophobicContact CB-CD1 4.3Å; S81-L96 VanDerWaalsContact C-CD1 3.48Å; I94-L96 HydrophobicContact CG2-CB 3.96Å; L96-D98 PolarHBondContact O-N 2.82Å; L96-Y99 PolarHBondContact N-O 2.94Å; L96-Y99 PolarHBondContact O-N 2.99Å
97	N	97.1	Very high	96.8	Very high	88 Å²	88	27.3 Å²	27.3	47%	0.471	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	50.4	175.2	-168.9	26.8	0	0	0	112.8	N80 Y99	N80-N97 HydrophobicContact CB-CB 4.44Å; N97-Y99 WeakPolarHBondContact O-CD2 3.4Å; N97-Y99 PolarHBondContact O-N 2.87Å; N97-Y99 VanDerWaalsContact O-N 3.1Å
98	D	97.6	Very high	96.6	Very high	118 Å²	118	32.1 Å²	32.1	63%	0.631	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.6	17.2	-177.1	-64.3	-30.5	0	0	0	116	L96 D128 V129	L96-D98 PolarHBondContact O-N 2.82Å; D98-D128 CarbonylContact O-C 3.46Å; D98-D128 WeakPolarHBondContact O-CA 3.15Å; D98-V129 HydrophobicContact CB-CG2 4.17Å; D98-V129 PolarHBondContact O-N 2.85Å
99	Y	98.4	Very high	96.4	Very high	90 Å²	90	35.6 Å²	35.6	35%	0.353	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	143.7	171.4	-78.3	-93	0	0	0	112.2	V95 L96 N97 V126 H127 D128	V95-Y99 WeakPolarHBondContact CA-O 3.36Å; L96-Y99 PolarHBondContact N-O 2.94Å; L96-Y99 PolarHBondContact O-N 2.99Å; N97-Y99 WeakPolarHBondContact O-CD2 3.4Å; N97-Y99 PolarHBondContact O-N 2.87Å; N97-Y99 VanDerWaalsContact O-N 3.1Å; Y99-V126 HydrophobicContact CD1-CG2 3.98Å; Y99-H127 CarbonylContact C-O 3.54Å; Y99-H127 WeakPolarHBondContact CA-O 3.32Å; Y99-H127 WeakPolarHBondContact CD1-O 2.98Å; Y99-D128 HydrophobicContact CD1-CB 4.32Å; Y99-D128 HydrophobicContact CE1-CB 4.05Å
100	K	98.8	Very high	96.2	Very high	24 Å²	24	40.1 Å²	40.1	10%	0.104	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	131.3	170.9	-59.5	-164.9	170.3	-166.7	0	109.8	I94 V95 V126 H127 V129 Y345	I94-K100 CarbonylContact O-C 3.6Å; I94-K100 VanDerWaalsContact O-CA 3.3Å; I94-K100 WeakPolarHBondContact O-CA 2.94Å; V95-K100 HydrophobicContact CG1-CG 4.47Å; V95-K100 HydrophobicContact CG2-CD 4.47Å; V95-K100 HydrophobicContact CG2-CG 4.15Å; K100-V126 VanDerWaalsContact O-CA 3.26Å; K100-V126 WeakPolarHBondContact O-CA 3.18Å; K100-H127 PolarHBondContact N-O 2.83Å; K100-H127 PolarHBondContact O-N 3.27Å; K100-H127 VanDerWaalsContact O-N 3.09Å; K100-V129 HydrophobicContact CG-CG1 4.12Å; K100-Y345 PolarHBondContact NZ-OH 3.31Å; K100-Y345 VanDerWaalsContact NZ-OH 3.1Å
101	W	98.8	Very high	95.7	Very high	18 Å²	18	43.3 Å²	43.3	7%	0.068	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	127.2	179	-54.3	73.3	0	0	0	108.9	F41 V43 V64 E93 I94 V126 F137	F41-W101 HydrophobicContact CB-CE3 4.28Å; F41-W101 HydrophobicContact CB-CH2 4.38Å; F41-W101 HydrophobicContact CB-CZ3 3.71Å; F41-W101 AromaticContact CD2-CD2 3.96Å; F41-W101 HydrophobicContact CD2-CD2 3.96Å; F41-W101 AromaticContact CD2-CE3 3.48Å; F41-W101 HydrophobicContact CD2-CE3 3.48Å; F41-W101 VanDerWaalsContact CD2-CE3 3.48Å; F41-W101 HydrophobicContact CD2-CH2 4.21Å; F41-W101 AromaticContact CD2-CZ3 3.63Å; F41-W101 HydrophobicContact CD2-CZ3 3.63Å; F41-W101 HydrophobicContact CE2-CD2 4.2Å; F41-W101 HydrophobicContact CE2-CE3 4.06Å; F41-W101 HydrophobicContact CE2-CG 4.5Å; F41-W101 HydrophobicContact CG-CE3 4.05Å; F41-W101 AromaticContact CG-CZ3 3.97Å; F41-W101 HydrophobicContact CG-CZ3 3.97Å; V43-W101 HydrophobicContact CG2-CH2 3.83Å; V43-W101 HydrophobicContact CG2-CZ3 3.75Å; V64-W101 HydrophobicContact CB-CH2 3.84Å; V64-W101 HydrophobicContact CB-CZ2 4.31Å; V64-W101 HydrophobicContact CG1-CH2 4.04Å; V64-W101 HydrophobicContact CG1-CZ2 4Å; V64-W101 HydrophobicContact CG2-CH2 3.76Å; V64-W101 HydrophobicContact CG2-CZ2 4.28Å; E93-W101 CarbonylContact C-O 3.39Å; E93-W101 WeakPolarHBondContact CA-O 3.03Å; I94-W101 HydrophobicContact CB-CB 4.16Å; I94-W101 HydrophobicContact CB-CG 4.49Å; I94-W101 PolarHBondContact N-O 2.7Å; I94-W101 PolarHBondContact O-N 3.41Å; W101-V126 HydrophobicContact CD2-CB 3.99Å; W101-V126 HydrophobicContact CD2-CG2 3.47Å; W101-V126 VanDerWaalsContact CD2-CG2 3.47Å; W101-V126 HydrophobicContact CE3-CB 3.7Å; W101-V126 HydrophobicContact CE3-CG1 4.3Å; W101-V126 HydrophobicContact CE3-CG2 3.62Å; W101-V126 HydrophobicContact CG-CG2 4.03Å; W101-V126 HydrophobicContact CH2-CG2 3.92Å; W101-V126 HydrophobicContact CZ2-CG2 3.79Å; W101-V126 HydrophobicContact CZ3-CB 3.98Å; W101-V126 HydrophobicContact CZ3-CG1 4.09Å; W101-V126 HydrophobicContact CZ3-CG2 3.84Å; W101-F137 HydrophobicContact CB-CE1 4.37Å; W101-F137 HydrophobicContact CB-CZ 4.19Å; W101-F137 HydrophobicContact CE3-CD1 4.06Å; W101-F137 HydrophobicContact CE3-CD2 4.03Å; W101-F137 HydrophobicContact CE3-CE1 4.16Å; W101-F137 HydrophobicContact CE3-CE2 4.14Å; W101-F137 AromaticContact CE3-CG 3.99Å; W101-F137 HydrophobicContact CE3-CG 3.99Å; W101-F137 HydrophobicContact CE3-CZ 4.2Å; W101-F137 HydrophobicContact CZ3-CB 4.32Å; W101-F137 HydrophobicContact CZ3-CD2 4.28Å; W101-F137 HydrophobicContact CZ3-CG 4.12Å
102	F	98.8	Very high	94.7	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	130.6	176.8	165.1	-114.4	0	0	0	111.1	I87 F92 F104 G124 W125 F137 Y294 L305 K309	I87-F102 HydrophobicContact CD1-CD2 3.93Å; I87-F102 HydrophobicContact CD1-CE2 3.85Å; F92-F102 WeakPolarHBondContact O-CA 3.29Å; F92-F102 WeakPolarHBondContact O-CD2 3.35Å; F102-F104 HydrophobicContact CE1-CE2 4.31Å; F102-F104 HydrophobicContact CZ-CD1 4.39Å; F102-F104 HydrophobicContact CZ-CD2 4.09Å; F102-F104 HydrophobicContact CZ-CE1 4.07Å; F102-F104 AromaticContact CZ-CE2 3.75Å; F102-F104 HydrophobicContact CZ-CE2 3.75Å; F102-F104 HydrophobicContact CZ-CG 4.4Å; F102-F104 AromaticContact CZ-CZ 3.74Å; F102-F104 HydrophobicContact CZ-CZ 3.74Å; F102-G124 CarbonylContact O-C 3.56Å; F102-G124 WeakPolarHBondContact O-CA 3.25Å; F102-W125 AromaticContact CD1-CE3 3.75Å; F102-W125 HydrophobicContact CD1-CE3 3.75Å; F102-W125 HydrophobicContact CD1-CZ3 4.14Å; F102-W125 AromaticContact CE1-CE3 3.92Å; F102-W125 HydrophobicContact CE1-CE3 3.92Å; F102-W125 AromaticContact CE1-CZ3 3.81Å; F102-W125 HydrophobicContact CE1-CZ3 3.81Å; F102-W125 PolarHBondContact N-O 2.87Å; F102-W125 PolarHBondContact O-N 3.19Å; F102-F137 VanDerWaalsContact O-CE1 3.32Å; F102-F137 WeakPolarHBondContact O-CE1 3.43Å; F102-Y294 HydrophobicContact CD1-CD1 4.03Å; F102-Y294 AromaticContact CD1-CE1 3.94Å; F102-Y294 HydrophobicContact CD1-CE1 3.94Å; F102-Y294 AromaticContact CE1-CD1 3.53Å; F102-Y294 HydrophobicContact CE1-CD1 3.53Å; F102-Y294 AromaticContact CE1-CE1 3.91Å; F102-Y294 HydrophobicContact CE1-CE1 3.91Å; F102-Y294 AromaticContact CE1-CG 3.97Å; F102-Y294 HydrophobicContact CE1-CG 3.97Å; F102-L305 HydrophobicContact CD1-CD2 4.45Å; F102-L305 HydrophobicContact CD2-CD2 3.78Å; F102-L305 HydrophobicContact CE1-CD2 4.12Å; F102-L305 HydrophobicContact CE2-CD1 3.75Å; F102-L305 HydrophobicContact CE2-CD2 3.43Å; F102-L305 VanDerWaalsContact CE2-CD2 3.43Å; F102-L305 HydrophobicContact CE2-CG 4.23Å; F102-L305 HydrophobicContact CG-CD2 4.31Å; F102-L305 HydrophobicContact CZ-CD1 3.59Å; F102-L305 HydrophobicContact CZ-CD2 3.61Å; F102-L305 HydrophobicContact CZ-CG 4.26Å; F102-K309 HydrophobicContact CB-CD 3.94Å; F102-K309 VanDerWaalsContact CB-CE 3.44Å; F102-K309 HydrophobicContact CD1-CD 3.93Å; F102-K309 HydrophobicContact CG-CD 3.86Å
103	A	98.7	Very high	93.9	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	151	168.7	0	0	0	0	0	111.5	G91 F92 T121 F137	G91-A103 WeakPolarHBondContact CA-O 3.29Å; F92-A103 PolarHBondContact N-O 3.39Å; F92-A103 VanDerWaalsContact N-O 3.13Å; F92-A103 PolarHBondContact O-N 3.16Å; A103-T121 HydrophobicContact CB-CG2 4.05Å; A103-F137 HydrophobicContact CB-CE1 4.3Å; A103-F137 HydrophobicContact CB-CE2 4.3Å; A103-F137 HydrophobicContact CB-CZ 3.72Å
104	F	98.4	Very high	93.3	Very high	18 Å²	18	51.1 Å²	51.1	8%	0.079	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	148.9	162	-67.5	-67.1	0	0	0	110.7	T26 Q90 F102 T121 M122 Y294 L305	T26-F104 HydrophobicContact CG2-CD1 4.22Å; T26-F104 HydrophobicContact CG2-CE1 4.34Å; T26-F104 HydrophobicContact CG2-CG 4.42Å; Q90-F104 HydrophobicContact CB-CD1 3.92Å; Q90-F104 HydrophobicContact CB-CE1 4.05Å; Q90-F104 CarbonylContact O-C 3.58Å; Q90-F104 WeakPolarHBondContact O-CA 3.33Å; F102-F104 HydrophobicContact CE1-CE2 4.31Å; F102-F104 HydrophobicContact CZ-CD1 4.39Å; F102-F104 HydrophobicContact CZ-CD2 4.09Å; F102-F104 HydrophobicContact CZ-CE1 4.07Å; F102-F104 AromaticContact CZ-CE2 3.75Å; F102-F104 HydrophobicContact CZ-CE2 3.75Å; F102-F104 HydrophobicContact CZ-CG 4.4Å; F102-F104 AromaticContact CZ-CZ 3.74Å; F102-F104 HydrophobicContact CZ-CZ 3.74Å; F104-T121 WeakPolarHBondContact O-CA 3.37Å; F104-T121 WeakPolarHBondContact O-CB 3.3Å; F104-M122 HydrophobicContact CB-CB 4.49Å; F104-M122 HydrophobicContact CB-CG 4.35Å; F104-M122 PolarHBondContact O-N 3.42Å; F104-Y294 WeakPolarHBondContact CZ-O 2.96Å; F104-L305 HydrophobicContact CE1-CD1 3.9Å; F104-L305 HydrophobicContact CZ-CD1 3.84Å
105	F	97.1	Very high	92.9	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	147	169.6	-68.5	-67	0	0	0	110.6	A28 C30 L35 W39 I86 Q90 F92	A28-F105 HydrophobicContact CB-CB 4.19Å; C30-F105 HydrophobicContact CB-CB 4.4Å; C30-F105 HydrophobicContact CB-CD1 4.27Å; C30-F105 HydrophobicContact CB-CD2 3.36Å; C30-F105 HydrophobicContact CB-CE1 4.41Å; C30-F105 HydrophobicContact CB-CE2 3.55Å; C30-F105 HydrophobicContact CB-CG 3.76Å; C30-F105 HydrophobicContact CB-CZ 4.07Å; C30-F105 VanDerWaalsContact SG-CB 3.56Å; C30-F105 VanDerWaalsContact SG-CG 3.54Å; L35-F105 HydrophobicContact CB-CZ 4.3Å; L35-F105 HydrophobicContact CD1-CE1 4.31Å; L35-F105 HydrophobicContact CD1-CZ 4.16Å; W39-F105 HydrophobicContact CH2-CD1 4.46Å; W39-F105 HydrophobicContact CH2-CE1 4.17Å; W39-F105 HydrophobicContact CZ2-CE1 4.29Å; I86-F105 HydrophobicContact CD1-CE2 4.09Å; I86-F105 HydrophobicContact CD1-CZ 4.35Å; I86-F105 HydrophobicContact CG1-CE2 4.26Å; Q90-F105 VanDerWaalsContact C-CD2 3.44Å; Q90-F105 WeakPolarHBondContact O-CD2 3.33Å; Q90-F105 PolarHBondContact O-N 3.22Å; F92-F105 AromaticContact CD1-CE1 3.9Å; F92-F105 HydrophobicContact CD1-CE1 3.9Å; F92-F105 AromaticContact CD1-CZ 3.99Å; F92-F105 HydrophobicContact CD1-CZ 3.99Å; F92-F105 HydrophobicContact CE1-CE1 4.16Å
106	K	96.1	Very high	92.5	Very high	70 Å²	70	49.1 Å²	49.1	30%	0.304	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	136.8	-174.3	-174.7	174.4	-178.9	175.5	0	111.4	Y117 E120 M122	K106-Y117 HydrophobicContact CD-CD2 4.37Å; K106-Y117 HydrophobicContact CG-CD2 4.08Å; K106-Y117 PolarHBondContact O-N 2.89Å; K106-E120 HydrophobicContact CB-CB 3.84Å; K106-E120 WeakPolarHBondContact CB-O 3.46Å; K106-E120 HydrophobicContact CD-CB 3.66Å; K106-E120 VanDerWaalsContact CD-OE2 3.27Å; K106-E120 WeakPolarHBondContact CD-OE2 3.26Å; K106-E120 HydrophobicContact CG-CB 4.43Å; K106-E120 PolarHBondContact N-O 3.49Å; K106-E120 IonicContact NZ-OE2 2.95Å; K106-E120 PolarHBondContact NZ-OE2 2.94Å; K106-M122 HydrophobicContact CB-SD 4.32Å; K106-M122 HydrophobicContact CG-SD 4Å
107	Y	93.6	Very high	92.3	Very high	58 Å²	58	51 Å²	51	23%	0.227	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	156.7	167	63	-85.5	0	0	0	109.8	T26 P27 E109 T115 M122	T26-Y107 HydrophobicContact CG2-CE1 4.32Å; P27-Y107 HydrophobicContact CB-CD2 4.42Å; P27-Y107 HydrophobicContact CG-CD2 3.82Å; P27-Y107 HydrophobicContact CG-CE2 3.88Å; P27-Y107 HydrophobicContact CG-CG 4.35Å; Y107-E109 HydrophobicContact CD2-CG 4Å; Y107-E109 HydrophobicContact CE2-CG 4.16Å; Y107-E109 WeakPolarHBondContact CE2-OE1 3.37Å; Y107-T115 CarbonylContact C-O 3.23Å; Y107-T115 VanDerWaalsContact CA-O 3.26Å; Y107-T115 WeakPolarHBondContact CA-O 3.42Å; Y107-M122 HydrophobicContact CD1-CG 4.4Å; Y107-M122 HydrophobicContact CD1-SD 4.34Å; Y107-M122 HydrophobicContact CE1-CG 4.28Å; Y107-M122 HydrophobicContact CE1-SD 4.43Å
108	K	91.2	Very high	92.1	Very high	103 Å²	103	47.4 Å²	47.4	45%	0.448	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	135	175	-169.3	-176.5	-175.4	-165.5	0	109.8	E110 V114 T115 Y117	K108-E110 HydrophobicContact CD-CG 4.34Å; K108-E110 WeakPolarHBondContact CE-OE1 3.27Å; K108-E110 HydrophobicContact CG-CG 4.4Å; K108-E110 IonicContact NZ-OE1 4Å; K108-E110 PolarHBondContact NZ-OE1 3.47Å; K108-V114 WeakPolarHBondContact O-CA 3.42Å; K108-T115 PolarHBondContact N-O 3.27Å; K108-T115 PolarHBondContact O-N 3.1Å; K108-Y117 HydrophobicContact CB-CE2 4Å
109	E	86.4	Confident	92	Very high	91 Å²	91	42.3 Å²	42.3	43%	0.425	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	125.3	178.2	-52.3	-164.8	-169.2	0	0	110.3	R23 P27 Y107 V114	R23-E109 IonicContact CZ-OE2 3.93Å; R23-E109 IonicContact NH1-OE1 3.27Å; R23-E109 PolarHBondContact NH1-OE1 3.38Å; R23-E109 IonicContact NH1-OE2 3.61Å; R23-E109 PolarHBondContact NH1-OE2 2.83Å; R23-E109 IonicContact NH2-OE2 2.87Å; P27-E109 WeakPolarHBondContact CG-OE1 3.41Å; Y107-E109 HydrophobicContact CD2-CG 4Å; Y107-E109 HydrophobicContact CE2-CG 4.16Å; Y107-E109 WeakPolarHBondContact CE2-OE1 3.37Å; E109-V114 HydrophobicContact CG-CG2 4.28Å
110	E	86.1	Confident	91.9	Very high	98 Å²	98	39.7 Å²	39.7	46%	0.458	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	84.9	177.2	-66.5	177.4	165.5	0	0	107.6	K108 I112 K113	K108-E110 HydrophobicContact CD-CG 4.34Å; K108-E110 WeakPolarHBondContact CE-OE1 3.27Å; K108-E110 HydrophobicContact CG-CG 4.4Å; K108-E110 IonicContact NZ-OE1 4Å; K108-E110 PolarHBondContact NZ-OE1 3.47Å; E110-I112 PolarHBondContact O-N 2.84Å; E110-I112 VanDerWaalsContact O-N 3.15Å; E110-K113 PolarHBondContact N-O 2.72Å; E110-K113 PolarHBondContact O-N 3.35Å; E110-K113 VanDerWaalsContact O-N 3.11Å
111	G	82.1	Confident	91.9	Very high	70 Å²	70	38.9 Å²	38.9	72%	0.722	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.5	-112.4	-171.6	0	0	0	0	0	111.5
112	I	76.1	Confident	91.8	Very high	79 Å²	79	41.2 Å²	41.2	41%	0.405	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-1.2	179.4	72.5	-172.4	0	0	0	113.1	E110 T153 A154 K157	E110-I112 PolarHBondContact O-N 2.84Å; E110-I112 VanDerWaalsContact O-N 3.15Å; I112-T153 VanDerWaalsContact C-OG1 3.3Å; I112-T153 WeakPolarHBondContact O-CA 3.36Å; I112-T153 WeakPolarHBondContact O-CB 3.34Å; I112-T153 PolarHBondContact O-N 2.03Å; I112-T153 PolarHBondContact O-OG1 3.24Å; I112-A154 HydrophobicContact CD1-CB 3.73Å; I112-A154 HydrophobicContact CG1-CB 4.41Å; I112-K157 HydrophobicContact CB-CD 4.3Å; I112-K157 HydrophobicContact CG2-CD 3.95Å
113	K	81.9	Confident	91.8	Very high	88 Å²	88	43.6 Å²	43.6	38%	0.383	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	126.5	178.4	-173	179.1	174.3	-173.9	0	109.3	E110 Y150	E110-K113 PolarHBondContact N-O 2.72Å; E110-K113 PolarHBondContact O-N 3.35Å; E110-K113 VanDerWaalsContact O-N 3.11Å; K113-Y150 VanDerWaalsContact CE-CD1 3.42Å
114	V	87.3	Confident	91.8	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.012	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	127	171.6	176.9	0	0	0	0	108.1	P27 K108 E109 I116 V151 T153	P27-V114 HydrophobicContact CB-CG1 3.57Å; P27-V114 HydrophobicContact CG-CG1 4.28Å; K108-V114 WeakPolarHBondContact O-CA 3.42Å; E109-V114 HydrophobicContact CG-CG2 4.28Å; V114-I116 HydrophobicContact CG1-CG1 4.21Å; V114-V151 PolarHBondContact N-O 3.3Å; V114-V151 PolarHBondContact O-N 3Å; V114-V151 VanDerWaalsContact O-O 3.08Å; V114-T153 HydrophobicContact CB-CG2 4.03Å; V114-T153 HydrophobicContact CG2-CG2 3.47Å; V114-T153 VanDerWaalsContact CG2-CG2 3.47Å
115	T	89.3	Confident	91.8	Very high	4 Å²	4	43.7 Å²	43.7	3%	0.025	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	126.2	174.4	-50.8	0	0	0	0	108.8	Y107 K108 Y117 N148 Y150	Y107-T115 CarbonylContact C-O 3.23Å; Y107-T115 VanDerWaalsContact CA-O 3.26Å; Y107-T115 WeakPolarHBondContact CA-O 3.42Å; K108-T115 PolarHBondContact N-O 3.27Å; K108-T115 PolarHBondContact O-N 3.1Å; T115-Y117 HydrophobicContact CG2-CD2 4.49Å; T115-Y117 HydrophobicContact CG2-CE1 4.05Å; T115-Y117 HydrophobicContact CG2-CE2 3.77Å; T115-N148 HydrophobicContact CG2-CB 4.19Å; T115-Y150 HydrophobicContact CG2-CD1 3.79Å; T115-Y150 HydrophobicContact CG2-CE1 3.63Å
116	I	90.9	Very high	91.8	Very high	6 Å²	6	44 Å²	44	3%	0.031	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	132.6	-177	-55.2	168.1	0	0	0	108.9	P27 N29 V114 V149 V151	P27-I116 WeakPolarHBondContact O-CD1 3.46Å; N29-I116 HydrophobicContact CB-CD1 4.45Å; V114-I116 HydrophobicContact CG1-CG1 4.21Å; I116-V149 PolarHBondContact N-O 2.63Å; I116-V149 PolarHBondContact O-N 2.58Å; I116-V151 HydrophobicContact CD1-CG2 3.88Å
117	Y	93.3	Very high	92	Very high	47 Å²	47	40.7 Å²	40.7	18%	0.184	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	82.8	-179.1	-54.8	-91.5	0	0	0	109.4	K106 K108 T115 N119 E120 N148	K106-Y117 HydrophobicContact CD-CD2 4.37Å; K106-Y117 HydrophobicContact CG-CD2 4.08Å; K106-Y117 PolarHBondContact O-N 2.89Å; K108-Y117 HydrophobicContact CB-CE2 4Å; T115-Y117 HydrophobicContact CG2-CD2 4.49Å; T115-Y117 HydrophobicContact CG2-CE1 4.05Å; T115-Y117 HydrophobicContact CG2-CE2 3.77Å; Y117-N119 PolarHBondContact O-N 2.81Å; Y117-N119 VanDerWaalsContact O-N 3.16Å; Y117-E120 PolarHBondContact O-N 2.79Å; Y117-N148 VanDerWaalsContact CD1-OD1 3.3Å; Y117-N148 WeakPolarHBondContact CD1-OD1 3.28Å; Y117-N148 HydrophobicContact CE1-CB 4.49Å
118	C	93.5	Very high	92.2	Very high	11 Å²	11	38.7 Å²	38.7	7%	0.074	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	-10.9	-176.7	-61.9	0	0	0	0	114.5	C30 D34 W39	C30-C118 WeakPolarHBondContact CA-SG 3.33Å; C30-C118 HydrophobicContact CB-CB 3.63Å; C30-C118 WeakPolarHBondContact CB-SG 3.35Å; C30-C118 WeakPolarHBondContact SG-CA 3.43Å; C30-C118 WeakPolarHBondContact SG-CB 3.42Å; C30-C118 CovalentContact SG-SG 2.04Å; C30-C118 PolarHBondContact SG-SG 2.96Å; D34-C118 HydrophobicContact CB-CB 3.79Å; W39-C118 WeakPolarHBondContact CH2-O 3.23Å
119	N	94.9	Very high	92.4	Very high	11 Å²	11	36.3 Å²	36.3	6%	0.059	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	3.4	172.9	62.3	-14.2	0	0	0	113.1	Y117 K140 K141 T144	Y117-N119 PolarHBondContact O-N 2.81Å; Y117-N119 VanDerWaalsContact O-N 3.16Å; N119-K140 WeakPolarHBondContact O-CA 3.43Å; N119-K141 HydrophobicContact CB-CB 4.02Å; N119-K141 PolarHBondContact O-N 3.22Å; N119-T144 PolarHBondContact ND2-O 3.04Å; N119-T144 VanDerWaalsContact ND2-O 3.12Å
120	E	96.9	Very high	92.9	Very high	36 Å²	36	37.9 Å²	37.9	17%	0.168	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	161.7	178.2	-67.6	-174.8	-158	0	0	110.3	K106 Y117 G139 K140	K106-E120 HydrophobicContact CB-CB 3.84Å; K106-E120 WeakPolarHBondContact CB-O 3.46Å; K106-E120 HydrophobicContact CD-CB 3.66Å; K106-E120 VanDerWaalsContact CD-OE2 3.27Å; K106-E120 WeakPolarHBondContact CD-OE2 3.26Å; K106-E120 HydrophobicContact CG-CB 4.43Å; K106-E120 PolarHBondContact N-O 3.49Å; K106-E120 IonicContact NZ-OE2 2.95Å; K106-E120 PolarHBondContact NZ-OE2 2.94Å; Y117-E120 PolarHBondContact O-N 2.79Å; E120-G139 CarbonylContact C-O 3.52Å; E120-G139 VanDerWaalsContact CA-O 3.29Å; E120-G139 WeakPolarHBondContact CA-O 3.35Å; E120-K140 HydrophobicContact CG-CD 4.49Å; E120-K140 HydrophobicContact CG-CG 4.14Å; E120-K140 IonicContact OE1-NZ 3.68Å
121	T	98	Very high	93.4	Very high	6 Å²	6	34.4 Å²	34.4	4%	0.037	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	155.5	175.4	76.3	0	0	0	0	112	W39 F92 A103 F104 G139	W39-T121 HydrophobicContact CE3-CG2 4.45Å; W39-T121 HydrophobicContact CH2-CG2 4.46Å; W39-T121 HydrophobicContact CZ3-CG2 3.81Å; F92-T121 HydrophobicContact CE1-CG2 3.61Å; F92-T121 HydrophobicContact CZ-CG2 3.69Å; A103-T121 HydrophobicContact CB-CG2 4.05Å; F104-T121 WeakPolarHBondContact O-CA 3.37Å; F104-T121 WeakPolarHBondContact O-CB 3.3Å; T121-G139 PolarHBondContact N-O 3.12Å; T121-G139 PolarHBondContact OG1-N 2.82Å
122	M	97.8	Very high	94	Very high	68 Å²	68	39.5 Å²	39.5	34%	0.335	20%	0.196	S	C	.	.			trans	-62.6	170.3	155	-60.9	-57.4	-73.9	0	0	109.3	F104 K106 Y107 G124	F104-M122 HydrophobicContact CB-CB 4.49Å; F104-M122 HydrophobicContact CB-CG 4.35Å; F104-M122 PolarHBondContact O-N 3.42Å; K106-M122 HydrophobicContact CB-SD 4.32Å; K106-M122 HydrophobicContact CG-SD 4Å; Y107-M122 HydrophobicContact CD1-CG 4.4Å; Y107-M122 HydrophobicContact CD1-SD 4.34Å; Y107-M122 HydrophobicContact CE1-CG 4.28Å; Y107-M122 HydrophobicContact CE1-SD 4.43Å; M122-G124 PolarHBondContact O-N 3.16Å
123	T	98.1	Very high	95	Very high	50 Å²	50	39.6 Å²	39.6	31%	0.307	20%	0.197	S	C	.	.	S	Bend	trans	-61.3	123.2	169.3	-48.3	0	0	0	0	109	C54 M57 C136 F137	C54-T123 HydrophobicContact CB-CG2 3.9Å; C54-T123 WeakPolarHBondContact O-CG2 3.48Å; M57-T123 HydrophobicContact CB-CG2 4.16Å; M57-T123 HydrophobicContact SD-CG2 3.81Å; T123-C136 HydrophobicContact CG2-CB 4.01Å; T123-F137 CarbonylContact C-O 3.52Å; T123-F137 WeakPolarHBondContact CA-O 3.5Å
124	G	98.1	Very high	95.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	-175.4	178.4	0	0	0	0	0	112.7	F102 M122 C136 F137	F102-G124 CarbonylContact O-C 3.56Å; F102-G124 WeakPolarHBondContact O-CA 3.25Å; M122-G124 PolarHBondContact O-N 3.16Å; G124-C136 WeakPolarHBondContact O-CA 3.33Å; G124-F137 PolarHBondContact N-O 3.18Å; G124-F137 PolarHBondContact O-N 2.79Å
125	W	98.6	Very high	96.3	Very high	19 Å²	19	35.9 Å²	35.9	7%	0.072	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	135.6	-179.2	-61.3	-99.8	0	0	0	110.3	C54 F102 W134 F137 Q293 Y294	C54-W125 VanDerWaalsContact SG-CD1 3.53Å; F102-W125 AromaticContact CD1-CE3 3.75Å; F102-W125 HydrophobicContact CD1-CE3 3.75Å; F102-W125 HydrophobicContact CD1-CZ3 4.14Å; F102-W125 AromaticContact CE1-CE3 3.92Å; F102-W125 HydrophobicContact CE1-CE3 3.92Å; F102-W125 AromaticContact CE1-CZ3 3.81Å; F102-W125 HydrophobicContact CE1-CZ3 3.81Å; F102-W125 PolarHBondContact N-O 2.87Å; F102-W125 PolarHBondContact O-N 3.19Å; W125-W134 HydrophobicContact CB-CE3 4.34Å; W125-W134 HydrophobicContact CB-CZ3 3.99Å; W125-W134 AromaticContact CD1-CZ3 3.92Å; W125-W134 HydrophobicContact CG-CZ3 4.23Å; W125-F137 WeakPolarHBondContact O-CE1 3.24Å; W125-Q293 HydrophobicContact CH2-CB 3.91Å; W125-Q293 HydrophobicContact CZ2-CB 3.76Å; W125-Y294 AromaticContact CD2-CE1 3.64Å; W125-Y294 HydrophobicContact CD2-CE1 3.64Å; W125-Y294 AromaticContact CE2-CE1 3.92Å; W125-Y294 HydrophobicContact CE3-CD1 4.14Å; W125-Y294 AromaticContact CE3-CE1 3.56Å; W125-Y294 HydrophobicContact CE3-CE1 3.56Å; W125-Y294 HydrophobicContact CG-CE1 4.21Å; W125-Y294 HydrophobicContact CH2-CD1 4.11Å; W125-Y294 HydrophobicContact CH2-CE1 4.06Å; W125-Y294 HydrophobicContact CZ2-CE1 4.14Å; W125-Y294 AromaticContact CZ3-CD1 3.91Å; W125-Y294 HydrophobicContact CZ3-CD1 3.91Å; W125-Y294 AromaticContact CZ3-CE1 3.78Å; W125-Y294 HydrophobicContact CZ3-CE1 3.78Å
126	V	98.6	Very high	96.7	Very high	6 Å²	6	35.7 Å²	35.7	4%	0.036	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	134	169.3	58.9	0	0	0	0	109.2	V43 Y99 K100 W101 W134 A135 F137	V43-V126 HydrophobicContact CG1-CG1 4.13Å; Y99-V126 HydrophobicContact CD1-CG2 3.98Å; K100-V126 VanDerWaalsContact O-CA 3.26Å; K100-V126 WeakPolarHBondContact O-CA 3.18Å; W101-V126 HydrophobicContact CD2-CB 3.99Å; W101-V126 HydrophobicContact CD2-CG2 3.47Å; W101-V126 VanDerWaalsContact CD2-CG2 3.47Å; W101-V126 HydrophobicContact CE3-CB 3.7Å; W101-V126 HydrophobicContact CE3-CG1 4.3Å; W101-V126 HydrophobicContact CE3-CG2 3.62Å; W101-V126 HydrophobicContact CG-CG2 4.03Å; W101-V126 HydrophobicContact CH2-CG2 3.92Å; W101-V126 HydrophobicContact CZ2-CG2 3.79Å; W101-V126 HydrophobicContact CZ3-CB 3.98Å; W101-V126 HydrophobicContact CZ3-CG1 4.09Å; W101-V126 HydrophobicContact CZ3-CG2 3.84Å; V126-W134 CarbonylContact O-C 3.59Å; V126-W134 WeakPolarHBondContact O-CA 3.41Å; V126-A135 HydrophobicContact CG1-CB 3.79Å; V126-A135 PolarHBondContact N-O 3.48Å; V126-A135 PolarHBondContact O-N 2.98Å; V126-F137 HydrophobicContact CB-CD1 4.06Å; V126-F137 HydrophobicContact CG1-CB 4.46Å; V126-F137 HydrophobicContact CG1-CD1 4.23Å
127	H	98.6	Very high	97.1	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	160.2	174.5	59.8	87.5	0	0	0	111.3	Y99 K100 N133 W134 K309 D313	Y99-H127 CarbonylContact C-O 3.54Å; Y99-H127 WeakPolarHBondContact CA-O 3.32Å; Y99-H127 WeakPolarHBondContact CD1-O 2.98Å; K100-H127 PolarHBondContact N-O 2.83Å; K100-H127 PolarHBondContact O-N 3.27Å; K100-H127 VanDerWaalsContact O-N 3.09Å; H127-N133 WeakPolarHBondContact CA-O 3.5Å; H127-N133 WeakPolarHBondContact CB-O 3.2Å; H127-W134 HydrophobicContact CB-CB 4.47Å; H127-W134 HydrophobicContact CB-CD2 3.63Å; H127-W134 HydrophobicContact CB-CE3 4.07Å; H127-W134 HydrophobicContact CB-CG 3.83Å; H127-W134 HydrophobicContact CB-CZ2 4.26Å; H127-W134 AromaticContact CD2-CE2 3.97Å; H127-W134 AromaticContact CD2-CE3 3.8Å; H127-W134 AromaticContact CD2-CH2 3.33Å; H127-W134 WeakPolarHBondContact CD2-CH2 3.49Å; H127-W134 AromaticContact CD2-CZ2 3.63Å; H127-W134 AromaticContact CD2-CZ3 3.43Å; H127-W134 VanDerWaalsContact CD2-CZ3 3.43Å; H127-W134 WeakPolarHBondContact CD2-CZ3 3.48Å; H127-W134 AromaticContact CG-CD2 3.99Å; H127-W134 AromaticContact CG-CE2 3.77Å; H127-W134 AromaticContact CG-CH2 3.96Å; H127-W134 AromaticContact CG-CZ2 3.76Å; H127-W134 AromaticContact NE2-CH2 3.66Å; H127-W134 AromaticContact NE2-CZ2 4Å; H127-K309 PolarHBondContact NE2-NZ 3.08Å; H127-D313 IonicContact CE1-OD1 2.65Å; H127-D313 PolarHBondContact CE1-OD1 3.3Å; H127-D313 IonicContact CE1-OD2 2.79Å; H127-D313 IonicContact NE2-OD1 2.69Å; H127-D313 PolarHBondContact NE2-OD1 3.11Å; H127-D313 IonicContact NE2-OD2 3.74Å; H127-D313 PolarHBondContact NE2-OD2 3.15Å
128	D	97.9	Very high	97.3	Very high	16 Å²	16	35.2 Å²	35.2	9%	0.086	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	159.6	172.6	62.3	74.8	0	0	0	111.5	D98 Y99 L130 G131 R132 N133	D98-D128 CarbonylContact O-C 3.46Å; D98-D128 WeakPolarHBondContact O-CA 3.15Å; Y99-D128 HydrophobicContact CD1-CB 4.32Å; Y99-D128 HydrophobicContact CE1-CB 4.05Å; D128-L130 PolarHBondContact O-N 2.88Å; D128-L130 WeakPolarHBondContact OD1-CA 3.24Å; D128-L130 WeakPolarHBondContact OD1-CB 3.29Å; D128-L130 PolarHBondContact OD1-N 2.95Å; D128-G131 WeakPolarHBondContact O-CA 3.26Å; D128-G131 PolarHBondContact O-N 2.86Å; D128-G131 PolarHBondContact OD1-N 2.78Å; D128-R132 PolarHBondContact OD1-N 3.09Å; D128-R132 VanDerWaalsContact OD1-N 3.14Å; D128-R132 WeakPolarHBondContact OD2-CB 3.34Å; D128-R132 PolarHBondContact OD2-N 3.31Å; D128-N133 PolarHBondContact N-O 2.77Å; D128-N133 VanDerWaalsContact OD2-CB 3.32Å; D128-N133 WeakPolarHBondContact OD2-CB 3.37Å; D128-N133 PolarHBondContact OD2-N 2.93Å; D128-N133 PolarHBondContact OD2-ND2 2.8Å
129	V	97.2	Very high	97.5	Very high	53 Å²	53	34.9 Å²	34.9	32%	0.321	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-15.6	-177.1	-70.1	0	0	0	0	114.4	V95 D98 K100	V95-V129 HydrophobicContact CG1-CG1 4.31Å; D98-V129 HydrophobicContact CB-CG2 4.17Å; D98-V129 PolarHBondContact O-N 2.85Å; K100-V129 HydrophobicContact CG-CG1 4.12Å
130	L	96.2	Very high	97.6	Very high	125 Å²	125	40 Å²	40	65%	0.654	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-3.6	174.3	-56.6	178.5	0	0	0	112.9	D128 R132	D128-L130 PolarHBondContact O-N 2.88Å; D128-L130 WeakPolarHBondContact OD1-CA 3.24Å; D128-L130 WeakPolarHBondContact OD1-CB 3.29Å; D128-L130 PolarHBondContact OD1-N 2.95Å; L130-R132 HydrophobicContact CB-CG 4.04Å
131	G	96	Very high	97.6	Very high	24 Å²	24	39.7 Å²	39.7	25%	0.247	20%	0.202	C	C	.	.	S	Bend	trans	70.3	27.7	-179.5	0	0	0	0	0	113.9	D128 W134	D128-G131 WeakPolarHBondContact O-CA 3.26Å; D128-G131 PolarHBondContact O-N 2.86Å; D128-G131 PolarHBondContact OD1-N 2.78Å; G131-W134 PolarHBondContact O-NE1 3.18Å
132	R	94.9	Very high	97.3	Very high	177 Å²	177	43.2 Å²	43.2	67%	0.668	22%	0.224	S	C	*	.			trans	-89.3	-53.3	-175.7	-63.8	-178	179.1	-159.6	0.6	113.3	D128 L130	D128-R132 PolarHBondContact OD1-N 3.09Å; D128-R132 VanDerWaalsContact OD1-N 3.14Å; D128-R132 WeakPolarHBondContact OD2-CB 3.34Å; D128-R132 PolarHBondContact OD2-N 3.31Å; L130-R132 HydrophobicContact CB-CG 4.04Å
133	N	97.3	Very high	96.3	Very high	82 Å²	82	44 Å²	44	44%	0.439	25%	0.248	S	C	.	.	S	Bend	trans	-105.6	110.5	-175.4	-55.9	-77.2	0	0	0	109.4	H127 D128	H127-N133 WeakPolarHBondContact CA-O 3.5Å; H127-N133 WeakPolarHBondContact CB-O 3.2Å; D128-N133 PolarHBondContact N-O 2.77Å; D128-N133 VanDerWaalsContact OD2-CB 3.32Å; D128-N133 WeakPolarHBondContact OD2-CB 3.37Å; D128-N133 PolarHBondContact OD2-N 2.93Å; D128-N133 PolarHBondContact OD2-ND2 2.8Å
134	W	98.2	Very high	94.5	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.008	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	151.3	-179.1	-69.8	70.1	0	0	0	111.5	G47 S48 Q49 R50 V52 W125 V126 H127 G131 D313 F314	G47-W134 PolarHBondContact N-O 2.93Å; S48-W134 PolarHBondContact N-O 3.2Å; S48-W134 PolarHBondContact O-N 2.82Å; Q49-W134 WeakPolarHBondContact O-CB 3.38Å; R50-W134 HydrophobicContact CB-CD2 4.34Å; R50-W134 HydrophobicContact CB-CZ2 3.97Å; V52-W134 HydrophobicContact CG1-CB 3.92Å; V52-W134 HydrophobicContact CG1-CE3 4.23Å; W125-W134 HydrophobicContact CB-CE3 4.34Å; W125-W134 HydrophobicContact CB-CZ3 3.99Å; W125-W134 AromaticContact CD1-CZ3 3.92Å; W125-W134 HydrophobicContact CG-CZ3 4.23Å; V126-W134 CarbonylContact O-C 3.59Å; V126-W134 WeakPolarHBondContact O-CA 3.41Å; H127-W134 HydrophobicContact CB-CB 4.47Å; H127-W134 HydrophobicContact CB-CD2 3.63Å; H127-W134 HydrophobicContact CB-CE3 4.07Å; H127-W134 HydrophobicContact CB-CG 3.83Å; H127-W134 HydrophobicContact CB-CZ2 4.26Å; H127-W134 AromaticContact CD2-CE2 3.97Å; H127-W134 AromaticContact CD2-CE3 3.8Å; H127-W134 AromaticContact CD2-CH2 3.33Å; H127-W134 WeakPolarHBondContact CD2-CH2 3.49Å; H127-W134 AromaticContact CD2-CZ2 3.63Å; H127-W134 AromaticContact CD2-CZ3 3.43Å; H127-W134 VanDerWaalsContact CD2-CZ3 3.43Å; H127-W134 WeakPolarHBondContact CD2-CZ3 3.48Å; H127-W134 AromaticContact CG-CD2 3.99Å; H127-W134 AromaticContact CG-CE2 3.77Å; H127-W134 AromaticContact CG-CH2 3.96Å; H127-W134 AromaticContact CG-CZ2 3.76Å; H127-W134 AromaticContact NE2-CH2 3.66Å; H127-W134 AromaticContact NE2-CZ2 4Å; G131-W134 PolarHBondContact O-NE1 3.18Å; W134-D313 HydrophobicContact CH2-CB 3.68Å; W134-D313 HydrophobicContact CZ2-CB 3.9Å; W134-F314 HydrophobicContact CH2-CE2 4.3Å; W134-F314 HydrophobicContact CH2-CZ 4.14Å; W134-F314 HydrophobicContact CZ3-CZ 4.4Å
135	A	97.8	Very high	92.5	Very high	9 Å²	9	49.2 Å²	49.2	7%	0.074	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	166.3	166.6	0	0	0	0	0	109.7	V43 G44 V126	V43-A135 HydrophobicContact CG1-CB 3.57Å; G44-A135 WeakPolarHBondContact O-CB 3.47Å; V126-A135 HydrophobicContact CG1-CB 3.79Å; V126-A135 PolarHBondContact N-O 3.48Å; V126-A135 PolarHBondContact O-N 2.98Å
136	C	98.2	Very high	90.4	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	150.3	173.5	-54	0	0	0	0	109	V43 G44 V52 C54 M57 T123 G124	V43-C136 WeakPolarHBondContact CA-O 3.32Å; G44-C136 PolarHBondContact N-O 3.11Å; G44-C136 PolarHBondContact O-N 3.03Å; G44-C136 VanDerWaalsContact O-O 3.13Å; V52-C136 VanDerWaalsContact CG2-SG 3.59Å; C54-C136 WeakPolarHBondContact CA-SG 3.45Å; C54-C136 HydrophobicContact CB-CB 3.77Å; C54-C136 WeakPolarHBondContact CB-SG 3.37Å; C54-C136 VanDerWaalsContact SG-CA 3.58Å; C54-C136 WeakPolarHBondContact SG-CB 3.16Å; C54-C136 CovalentContact SG-SG 2.04Å; C54-C136 PolarHBondContact SG-SG 2.72Å; M57-C136 HydrophobicContact CB-CB 4.11Å; M57-C136 HydrophobicContact CG-CB 3.67Å; M57-C136 HydrophobicContact SD-CB 3.52Å; M57-C136 VanDerWaalsContact SD-CB 3.52Å; T123-C136 HydrophobicContact CG2-CB 4.01Å; G124-C136 WeakPolarHBondContact O-CA 3.33Å
137	F	98.4	Very high	88.6	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	160.1	175.8	81.4	-78.3	0	0	0	113.5	F41 Q42 V43 W101 F102 A103 T123 G124 W125 V126	F41-F137 HydrophobicContact CB-CD2 3.89Å; F41-F137 AromaticContact CD1-CD2 3.73Å; F41-F137 HydrophobicContact CD1-CD2 3.73Å; F41-F137 AromaticContact CD1-CE2 3.6Å; F41-F137 HydrophobicContact CD1-CE2 3.6Å; F41-F137 HydrophobicContact CD2-CE2 4.42Å; F41-F137 HydrophobicContact CE1-CD2 4.42Å; F41-F137 AromaticContact CE1-CE2 3.83Å; F41-F137 HydrophobicContact CE1-CE2 3.83Å; F41-F137 AromaticContact CG-CD2 3.81Å; F41-F137 HydrophobicContact CG-CD2 3.81Å; F41-F137 AromaticContact CG-CE2 3.94Å; F41-F137 HydrophobicContact CG-CE2 3.94Å; F41-F137 HydrophobicContact CZ-CE2 4.33Å; Q42-F137 CarbonylContact O-C 3.51Å; Q42-F137 WeakPolarHBondContact O-CA 3.4Å; Q42-F137 WeakPolarHBondContact O-CB 3.37Å; V43-F137 HydrophobicContact CG2-CB 4.07Å; W101-F137 HydrophobicContact CB-CE1 4.37Å; W101-F137 HydrophobicContact CB-CZ 4.19Å; W101-F137 HydrophobicContact CE3-CD1 4.06Å; W101-F137 HydrophobicContact CE3-CD2 4.03Å; W101-F137 HydrophobicContact CE3-CE1 4.16Å; W101-F137 HydrophobicContact CE3-CE2 4.14Å; W101-F137 AromaticContact CE3-CG 3.99Å; W101-F137 HydrophobicContact CE3-CG 3.99Å; W101-F137 HydrophobicContact CE3-CZ 4.2Å; W101-F137 HydrophobicContact CZ3-CB 4.32Å; W101-F137 HydrophobicContact CZ3-CD2 4.28Å; W101-F137 HydrophobicContact CZ3-CG 4.12Å; F102-F137 VanDerWaalsContact O-CE1 3.32Å; F102-F137 WeakPolarHBondContact O-CE1 3.43Å; A103-F137 HydrophobicContact CB-CE1 4.3Å; A103-F137 HydrophobicContact CB-CE2 4.3Å; A103-F137 HydrophobicContact CB-CZ 3.72Å; T123-F137 CarbonylContact C-O 3.52Å; T123-F137 WeakPolarHBondContact CA-O 3.5Å; G124-F137 PolarHBondContact N-O 3.18Å; G124-F137 PolarHBondContact O-N 2.79Å; W125-F137 WeakPolarHBondContact O-CE1 3.24Å; V126-F137 HydrophobicContact CB-CD1 4.06Å; V126-F137 HydrophobicContact CG1-CB 4.46Å; V126-F137 HydrophobicContact CG1-CD1 4.23Å
138	T	98.3	Very high	87.1	Confident	43 Å²	43	61.4 Å²	61.4	26%	0.264	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	144.1	165.3	52.8	0	0	0	0	109.5	F41 Q42 M57	F41-T138 CarbonylContact C-O 3.59Å; F41-T138 WeakPolarHBondContact CA-O 3.4Å; Q42-T138 PolarHBondContact N-O 2.67Å; Q42-T138 PolarHBondContact O-N 3.34Å; M57-T138 HydrophobicContact CE-CG2 3.96Å
139	G	97.8	Very high	85.7	Confident	5 Å²	5	64.5 Å²	64.5	5%	0.052	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	142.8	-178.2	0	0	0	0	0	113.2	V40 E120 T121	V40-G139 WeakPolarHBondContact O-CA 3.26Å; E120-G139 CarbonylContact C-O 3.52Å; E120-G139 VanDerWaalsContact CA-O 3.29Å; E120-G139 WeakPolarHBondContact CA-O 3.35Å; T121-G139 PolarHBondContact N-O 3.12Å; T121-G139 PolarHBondContact OG1-N 2.82Å
140	K	97.3	Very high	84.2	Confident	119 Å²	119	68.6 Å²	68.6	52%	0.517	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	129.8	170.9	-173.2	167.2	-172.5	166.2	0	110.9	V40 N119 E120	V40-K140 PolarHBondContact N-O 3.09Å; V40-K140 PolarHBondContact O-N 3.15Å; N119-K140 WeakPolarHBondContact O-CA 3.43Å; E120-K140 HydrophobicContact CG-CD 4.49Å; E120-K140 HydrophobicContact CG-CG 4.14Å; E120-K140 IonicContact OE1-NZ 3.68Å
141	K	95.9	Very high	82.6	Confident	28 Å²	28	64 Å²	64	12%	0.122	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	138.4	177.7	-165.7	177.1	178.5	176.9	0	111.4	D34 L36 T38 W39 N119	D34-K141 WeakPolarHBondContact O-CD 3.32Å; D34-K141 PolarHBondContact O-NZ 3.11Å; L36-K141 WeakPolarHBondContact O-CE 3.42Å; L36-K141 PolarHBondContact O-NZ 2.59Å; T38-K141 CarbonylContact O-C 3.59Å; T38-K141 WeakPolarHBondContact O-CA 3.47Å; W39-K141 HydrophobicContact CD2-CB 4.11Å; W39-K141 HydrophobicContact CE3-CB 4.26Å; W39-K141 HydrophobicContact CH2-CB 4.28Å; W39-K141 HydrophobicContact CZ2-CB 4.12Å; W39-K141 HydrophobicContact CZ2-CD 4.2Å; W39-K141 HydrophobicContact CZ2-CG 4.45Å; W39-K141 HydrophobicContact CZ3-CB 4.34Å; N119-K141 HydrophobicContact CB-CB 4.02Å; N119-K141 PolarHBondContact O-N 3.22Å
142	V	93.1	Very high	80.8	Confident	81 Å²	81	67.4 Å²	67.4	49%	0.491	38%	0.375	S	S	.	.	S	Bend	trans	-82.2	143.4	-179.8	-177.1	0	0	0	0	110.9	T38 V40 T144	T38-V142 HydrophobicContact CG2-CB 4.34Å; T38-V142 HydrophobicContact CG2-CG2 3.91Å; T38-V142 PolarHBondContact O-N 3.09Å; V40-V142 HydrophobicContact CG2-CG2 3.58Å; V142-T144 PolarHBondContact O-N 3.25Å
143	G	75.9	Confident	79.1	Confident	83 Å²	83	59.4 Å²	59.4	86%	0.856	35%	0.346	S	S	*	.	S	Bend	trans	76.9	-1.6	166.8	0	0	0	0	0	116
144	T	61.3	Low	77	Confident	56 Å²	56	56.7 Å²	56.7	34%	0.344	34%	0.335	S	S	.	.			trans	-118.2	108.9	178.4	39.4	0	0	0	0	112	N119 V142 S146	N119-T144 PolarHBondContact ND2-O 3.04Å; N119-T144 VanDerWaalsContact ND2-O 3.12Å; V142-T144 PolarHBondContact O-N 3.25Å; T144-S146 PolarHBondContact O-N 2.64Å
145	A	54.7	Low	74.4	Confident	105 Å²	105	63.9 Å²	63.9	87%	0.868	37%	0.368	S	S	*	.			trans	-76.9	81	144.5	0	0	0	0	0	106.4
146	S	55.4	Low	72	Confident	43 Å²	43	66.6 Å²	66.6	30%	0.301	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-62.9	140.5	169.3	-172	0	0	0	0	107.5	T144 N148	T144-S146 PolarHBondContact O-N 2.64Å; S146-N148 PolarHBondContact O-N 3.45Å; S146-N148 VanDerWaalsContact O-N 3.09Å
147	E	60.4	Low	69.6	Low	180 Å²	180	68.5 Å²	68.5	84%	0.841	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-60.2	116.9	173.8	-74.8	-174.5	166.8	0	0	108.1	V149	E147-V149 PolarHBondContact O-N 3.39Å; E147-V149 VanDerWaalsContact O-N 3.16Å
148	N	67.4	Low	67.1	Low	58 Å²	58	74.3 Å²	74.3	31%	0.31	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-57	124.2	175	-62.9	-27.5	0	0	0	108.5	T115 Y117 S146 Y150	T115-N148 HydrophobicContact CG2-CB 4.19Å; Y117-N148 VanDerWaalsContact CD1-OD1 3.3Å; Y117-N148 WeakPolarHBondContact CD1-OD1 3.28Å; Y117-N148 HydrophobicContact CE1-CB 4.49Å; S146-N148 PolarHBondContact O-N 3.45Å; S146-N148 VanDerWaalsContact O-N 3.09Å; N148-Y150 HydrophobicContact CB-CE2 4.17Å; N148-Y150 WeakPolarHBondContact O-CD2 3.46Å; N148-Y150 PolarHBondContact O-N 2.87Å
149	V	67.8	Low	64.6	Low	82 Å²	82	75.5 Å²	75.5	50%	0.497	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	112.9	176.8	-178	0	0	0	0	107.8	I116 E147 V151	I116-V149 PolarHBondContact N-O 2.63Å; I116-V149 PolarHBondContact O-N 2.58Å; E147-V149 PolarHBondContact O-N 3.39Å; E147-V149 VanDerWaalsContact O-N 3.16Å; V149-V151 HydrophobicContact CG1-CG2 4.16Å
150	Y	65.5	Low	62.4	Low	138 Å²	138	76.6 Å²	76.6	54%	0.541	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	118.4	172.7	-61.6	-75.6	0	0	0	109.4	K113 T115 N148	K113-Y150 VanDerWaalsContact CE-CD1 3.42Å; T115-Y150 HydrophobicContact CG2-CD1 3.79Å; T115-Y150 HydrophobicContact CG2-CE1 3.63Å; N148-Y150 HydrophobicContact CB-CE2 4.17Å; N148-Y150 WeakPolarHBondContact O-CD2 3.46Å; N148-Y150 PolarHBondContact O-N 2.87Å
151	V	63.9	Low	60.4	Low	30 Å²	30	74.9 Å²	74.9	18%	0.182	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	108.7	171	-174.2	0	0	0	0	107.4	V114 I116 V149 T153 L156	V114-V151 PolarHBondContact N-O 3.3Å; V114-V151 PolarHBondContact O-N 3Å; V114-V151 VanDerWaalsContact O-O 3.08Å; I116-V151 HydrophobicContact CD1-CG2 3.88Å; V149-V151 HydrophobicContact CG1-CG2 4.16Å; V151-T153 HydrophobicContact CG1-CG2 4.39Å; V151-T153 PolarHBondContact O-N 2.9Å; V151-T153 VanDerWaalsContact O-N 3.15Å; V151-L156 HydrophobicContact CG1-CD1 3.83Å
152	N	57.4	Low	58.8	Low	94 Å²	94	80.6 Å²	80.6	50%	0.503	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	102.2	168.8	-171.3	-7.1	0	0	0	108.4	A154 H155	N152-A154 PolarHBondContact O-N 2.8Å; N152-A154 WeakPolarHBondContact OD1-CB 3.41Å; N152-A154 PolarHBondContact OD1-N 2.86Å; N152-H155 PolarHBondContact O-N 2.86Å
153	T	60.1	Low	57.5	Low	10 Å²	10	81 Å²	81	6%	0.061	45%	0.446	C	S	.	.	H	α-helix	trans	-71.7	-5.7	178.2	72.6	0	0	0	0	112.4	I112 V114 V151 H155 L156 K157	I112-T153 VanDerWaalsContact C-OG1 3.3Å; I112-T153 WeakPolarHBondContact O-CA 3.36Å; I112-T153 WeakPolarHBondContact O-CB 3.34Å; I112-T153 PolarHBondContact O-N 2.03Å; I112-T153 PolarHBondContact O-OG1 3.24Å; V114-T153 HydrophobicContact CB-CG2 4.03Å; V114-T153 HydrophobicContact CG2-CG2 3.47Å; V114-T153 VanDerWaalsContact CG2-CG2 3.47Å; V151-T153 HydrophobicContact CG1-CG2 4.39Å; V151-T153 PolarHBondContact O-N 2.9Å; V151-T153 VanDerWaalsContact O-N 3.15Å; T153-H155 PolarHBondContact O-N 3.01Å; T153-L156 HydrophobicContact CG2-CD1 4.25Å; T153-L156 PolarHBondContact O-N 2.82Å; T153-K157 VanDerWaalsContact O-CB 3.31Å; T153-K157 WeakPolarHBondContact O-CB 3.07Å; T153-K157 WeakPolarHBondContact O-CG 3.46Å; T153-K157 PolarHBondContact O-N 2.94Å
154	A	51.3	Low	57.5	Low	25 Å²	25	78 Å²	78	21%	0.207	41%	0.412	C	S	.	.	H	α-helix	trans	-58.1	-34.5	169.7	0	0	0	0	0	112.7	I112 N152 K157 N158	I112-A154 HydrophobicContact CD1-CB 3.73Å; I112-A154 HydrophobicContact CG1-CB 4.41Å; N152-A154 PolarHBondContact O-N 2.8Å; N152-A154 WeakPolarHBondContact OD1-CB 3.41Å; N152-A154 PolarHBondContact OD1-N 2.86Å; A154-K157 PolarHBondContact O-N 3.41Å; A154-N158 PolarHBondContact O-N 2.97Å; A154-N158 VanDerWaalsContact O-N 3.1Å
155	H	43.9	Very low	58.6	Low	153 Å²	153	81.8 Å²	81.8	71%	0.708	43%	0.43	S	S	*	.	H	α-helix	trans	-77.4	-33.6	178.6	-123.4	-62.2	0	0	0	112.6	N152 T153	N152-H155 PolarHBondContact O-N 2.86Å; T153-H155 PolarHBondContact O-N 3.01Å
156	L	47.3	Very low	60.2	Low	65 Å²	65	80.4 Å²	80.4	34%	0.34	40%	0.403	S	S	.	.	H	α-helix	trans	-65.8	-41.4	167.8	-79.3	150.9	0	0	0	110.6	V151 T153 N158 Q160	V151-L156 HydrophobicContact CG1-CD1 3.83Å; T153-L156 HydrophobicContact CG2-CD1 4.25Å; T153-L156 PolarHBondContact O-N 2.82Å; L156-N158 PolarHBondContact O-N 2.98Å; L156-Q160 WeakPolarHBondContact O-CB 3.17Å; L156-Q160 PolarHBondContact O-N 3.02Å; L156-Q160 PolarHBondContact O-OE1 2.84Å
157	K	48.4	Very low	61.9	Low	40 Å²	40	82.6 Å²	82.6	17%	0.174	41%	0.411	C	S	.	.	H	α-helix	trans	-60.5	-38.3	176.5	-77.1	176.8	172.3	-132.5	0	113.4	I112 T153 A154 S159 E161	I112-K157 HydrophobicContact CB-CD 4.3Å; I112-K157 HydrophobicContact CG2-CD 3.95Å; T153-K157 VanDerWaalsContact O-CB 3.31Å; T153-K157 WeakPolarHBondContact O-CB 3.07Å; T153-K157 WeakPolarHBondContact O-CG 3.46Å; T153-K157 PolarHBondContact O-N 2.94Å; A154-K157 PolarHBondContact O-N 3.41Å; K157-S159 PolarHBondContact O-N 3.41Å; K157-E161 IonicContact NZ-OE1 3.71Å; K157-E161 VanDerWaalsContact O-CB 3.27Å; K157-E161 WeakPolarHBondContact O-CB 3.01Å; K157-E161 PolarHBondContact O-N 3.3Å
158	N	46.5	Very low	63.2	Low	122 Å²	122	74.2 Å²	74.2	65%	0.652	37%	0.371	S	S	*	.	H	α-helix	trans	-70.2	-32	-170.7	-95.3	-8.1	0	0	0	115.9	A154 L156	A154-N158 PolarHBondContact O-N 2.97Å; A154-N158 VanDerWaalsContact O-N 3.1Å; L156-N158 PolarHBondContact O-N 2.98Å
159	S	45.1	Very low	64.3	Low	68 Å²	68	76.9 Å²	76.9	48%	0.476	38%	0.38	S	S	.	.	H	α-helix	trans	-88.1	-38.6	173.2	54.8	0	0	0	0	112	K157	K157-S159 PolarHBondContact O-N 3.41Å
160	Q	51.9	Low	65.1	Low	29 Å²	29	76.7 Å²	76.7	14%	0.136	37%	0.371	C	S	.	.	H	α-helix	trans	-73.3	-46.3	-172	-152.1	172.6	15	0	0	111.5	L156 K162 S164 H208	L156-Q160 WeakPolarHBondContact O-CB 3.17Å; L156-Q160 PolarHBondContact O-N 3.02Å; L156-Q160 PolarHBondContact O-OE1 2.84Å; Q160-K162 PolarHBondContact O-N 3.03Å; Q160-S164 WeakPolarHBondContact O-CA 3.5Å; Q160-S164 WeakPolarHBondContact O-CB 3.06Å; Q160-S164 PolarHBondContact O-N 3.29Å; Q160-S164 PolarHBondContact O-OG 2.95Å; Q160-H208 PolarHBondContact NE2-CE1 3.43Å; Q160-H208 PolarHBondContact NE2-NE2 2.89Å
161	E	55.9	Low	66.3	Low	83 Å²	83	71.4 Å²	71.4	39%	0.388	35%	0.352	S	S	.	.	H	α-helix	trans	-67.5	-35.8	177.2	-74	174.4	-178.6	0	0	112	K157 Y163 S164	K157-E161 IonicContact NZ-OE1 3.71Å; K157-E161 VanDerWaalsContact O-CB 3.27Å; K157-E161 WeakPolarHBondContact O-CB 3.01Å; K157-E161 PolarHBondContact O-N 3.3Å; E161-Y163 PolarHBondContact O-N 3.5Å; E161-Y163 VanDerWaalsContact O-N 3.09Å; E161-S164 WeakPolarHBondContact CA-OG 3.17Å; E161-S164 PolarHBondContact O-N 3Å; E161-S164 PolarHBondContact O-OG 2.94Å; E161-S164 VanDerWaalsContact O-OG 3.05Å
162	K	61.5	Low	67.6	Low	148 Å²	148	74.6 Å²	74.6	64%	0.643	37%	0.365	S	S	*	.	H	α-helix	trans	-56.5	-34.8	-173.4	-172.6	176.6	179.2	-174.9	0	113	Q160	Q160-K162 PolarHBondContact O-N 3.03Å
163	Y	66.1	Low	69.4	Low	89 Å²	89	75.6 Å²	75.6	35%	0.349	37%	0.37	S	S	.	.	H	α-helix	trans	-123.1	-6.4	-179.6	-52.9	-70.5	0	0	0	114.2	E161 N165 R166 P399	E161-Y163 PolarHBondContact O-N 3.5Å; E161-Y163 VanDerWaalsContact O-N 3.09Å; Y163-N165 VanDerWaalsContact C-N 3.29Å; Y163-N165 PolarHBondContact O-N 2.87Å; Y163-R166 WeakPolarHBondContact O-CB 3.43Å; Y163-R166 PolarHBondContact O-N 2.89Å; Y163-P399 HydrophobicContact CD2-CG 3.86Å; Y163-P399 HydrophobicContact CE2-CG 4.43Å; Y163-P399 HydrophobicContact CG-CG 4.28Å
164	S	75.3	Confident	71	Confident	20 Å²	20	75.5 Å²	75.5	14%	0.14	37%	0.369	C	S	.	.	H	α-helix	trans	-48.6	-48.8	180	53	0	0	0	0	112.9	Q160 E161 R166 T197 L198 G199	Q160-S164 WeakPolarHBondContact O-CA 3.5Å; Q160-S164 WeakPolarHBondContact O-CB 3.06Å; Q160-S164 PolarHBondContact O-N 3.29Å; Q160-S164 PolarHBondContact O-OG 2.95Å; E161-S164 WeakPolarHBondContact CA-OG 3.17Å; E161-S164 PolarHBondContact O-N 3Å; E161-S164 PolarHBondContact O-OG 2.94Å; E161-S164 VanDerWaalsContact O-OG 3.05Å; S164-R166 VanDerWaalsContact C-N 3.26Å; S164-R166 PolarHBondContact O-N 3.45Å; S164-T197 WeakPolarHBondContact O-CB 3.45Å; S164-T197 PolarHBondContact O-OG1 3.47Å; S164-L198 PolarHBondContact O-N 3.08Å; S164-G199 PolarHBondContact O-N 2.9Å
165	N	84	Confident	73.1	Confident	135 Å²	135	75 Å²	75	72%	0.722	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-5.7	-178.5	-65.2	-31.7	0	0	0	113.7	Y163 L167	Y163-N165 VanDerWaalsContact C-N 3.29Å; Y163-N165 PolarHBondContact O-N 2.87Å; N165-L167 PolarHBondContact O-N 2.94Å
166	R	88.8	Confident	75.6	Confident	76 Å²	76	74.3 Å²	74.3	29%	0.287	36%	0.358	S	S	.	.	S	Bend	trans	-72.7	129.7	176.6	-167.7	-176.7	73.2	165	7.8	108.1	Y163 S164 Y168 T197 L198 F397 N398	Y163-R166 WeakPolarHBondContact O-CB 3.43Å; Y163-R166 PolarHBondContact O-N 2.89Å; S164-R166 VanDerWaalsContact C-N 3.26Å; S164-R166 PolarHBondContact O-N 3.45Å; R166-Y168 PolarHBondContact O-N 3.14Å; R166-T197 CarbonylContact O-C 3.47Å; R166-T197 WeakPolarHBondContact O-CA 3.39Å; R166-L198 HydrophobicContact CB-CD1 4.39Å; R166-L198 PolarHBondContact O-N 3.07Å; R166-F397 PolarHBondContact NH1-O 3.45Å; R166-F397 PolarHBondContact NH2-O 3.39Å; R166-N398 PolarHBondContact NH2-OD1 3.4Å
167	L	90.5	Very high	78	Confident	89 Å²	89	73.2 Å²	73.2	47%	0.466	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-57.4	138.9	169.4	-67.4	175.4	0	0	0	110.2	N165 T197	N165-L167 PolarHBondContact O-N 2.94Å; L167-T197 HydrophobicContact CD2-CG2 4.24Å
168	Y	89.8	Confident	80.2	Confident	4 Å²	4	71.3 Å²	71.3	2%	0.016	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-61.4	141.4	170.8	-177	-86.8	0	0	0	109.2	R166 Y193 E194 L196 L198 M201 L381 H382 N398	R166-Y168 PolarHBondContact O-N 3.14Å; Y168-Y193 WeakPolarHBondContact CB-O 3.39Å; Y168-Y193 HydrophobicContact CD1-CD2 4.43Å; Y168-Y193 HydrophobicContact CE1-CD2 4.02Å; Y168-E194 WeakPolarHBondContact O-CA 3.15Å; Y168-L196 PolarHBondContact N-O 3.34Å; Y168-L198 HydrophobicContact CD2-CD2 3.79Å; Y168-M201 HydrophobicContact CD2-CE 4.5Å; Y168-M201 HydrophobicContact CD2-CG 3.98Å; Y168-M201 HydrophobicContact CG-CG 4.23Å; Y168-L381 HydrophobicContact CE2-CD1 4.48Å; Y168-H382 PolarHBondContact OH-CE1 3.46Å; Y168-H382 PolarHBondContact OH-NE2 2.93Å; Y168-H382 VanDerWaalsContact OH-NE2 3.12Å; Y168-N398 HydrophobicContact CE2-CB 4.22Å
169	K	88.9	Confident	82.7	Confident	114 Å²	114	68.7 Å²	68.7	50%	0.496	34%	0.336	S	S	.	.			trans	-134.2	135.8	169	-51.6	-175.1	171	-172.6	0	108.9	F397 N398	K169-F397 HydrophobicContact CB-CD1 4.42Å; K169-F397 HydrophobicContact CB-CE1 3.7Å; K169-F397 HydrophobicContact CB-CZ 4.45Å; K169-F397 HydrophobicContact CD-CE1 4.1Å; K169-F397 HydrophobicContact CD-CZ 4.11Å; K169-F397 HydrophobicContact CG-CE1 4.17Å; K169-N398 PolarHBondContact O-ND2 3.41Å
170	Y	85.7	Confident	85.1	Confident	79 Å²	79	69.5 Å²	69.5	31%	0.31	35%	0.347	S	S	.	.			trans	-68.2	140.3	179.1	45.8	-102.3	0	0	0	111.6	H172 T189 E194	Y170-H172 AromaticContact CD2-CD2 3.75Å; Y170-H172 AromaticContact CD2-CE1 3.56Å; Y170-H172 AromaticContact CD2-NE2 3.38Å; Y170-H172 WeakPolarHBondContact CD2-NE2 3.46Å; Y170-H172 AromaticContact CE2-CD2 3.72Å; Y170-H172 AromaticContact CE2-CE1 3.57Å; Y170-H172 AromaticContact CE2-NE2 3.05Å; Y170-H172 WeakPolarHBondContact CE2-NE2 3.34Å; Y170-T189 HydrophobicContact CD2-CG2 4.4Å; Y170-T189 HydrophobicContact CG-CG2 4.09Å; Y170-E194 HydrophobicContact CD1-CG 3.89Å; Y170-E194 HydrophobicContact CE1-CG 3.89Å; Y170-E194 WeakPolarHBondContact CE1-OE1 3.45Å; Y170-E194 WeakPolarHBondContact CE1-OE2 3.39Å
171	D	89.7	Confident	87.2	Confident	27 Å²	27	73.2 Å²	73.2	14%	0.144	37%	0.367	C	S	.	.			trans	-100.7	102.7	166.3	-175.1	-11.2	0	0	0	109.5	N173 F174 V175 F397	D171-N173 PolarHBondContact O-N 3.24Å; D171-N173 WeakPolarHBondContact OD1-CA 3.48Å; D171-N173 VanDerWaalsContact OD1-CB 3.28Å; D171-N173 WeakPolarHBondContact OD1-CB 3.27Å; D171-N173 PolarHBondContact OD1-N 2.79Å; D171-F174 HydrophobicContact CB-CB 3.76Å; D171-F174 WeakPolarHBondContact O-CB 3.24Å; D171-F174 PolarHBondContact O-N 3.2Å; D171-F174 PolarHBondContact OD1-N 2.84Å; D171-V175 PolarHBondContact O-N 2.97Å; D171-V175 VanDerWaalsContact O-N 3.12Å; D171-F397 HydrophobicContact CB-CB 4.26Å
172	H	91.9	Very high	89	Confident	96 Å²	96	70.8 Å²	70.8	44%	0.444	36%	0.355	S	S	.	.	H	α-helix	trans	-62.9	-27.7	176.9	-70.3	-60.7	0	0	0	113.2	Y170 K176	Y170-H172 AromaticContact CD2-CD2 3.75Å; Y170-H172 AromaticContact CD2-CE1 3.56Å; Y170-H172 AromaticContact CD2-NE2 3.38Å; Y170-H172 WeakPolarHBondContact CD2-NE2 3.46Å; Y170-H172 AromaticContact CE2-CD2 3.72Å; Y170-H172 AromaticContact CE2-CE1 3.57Å; Y170-H172 AromaticContact CE2-NE2 3.05Å; Y170-H172 WeakPolarHBondContact CE2-NE2 3.34Å; H172-K176 WeakPolarHBondContact O-CB 3.45Å; H172-K176 VanDerWaalsContact O-CG 3.23Å; H172-K176 WeakPolarHBondContact O-CG 3.36Å; H172-K176 PolarHBondContact O-N 3.48Å
173	N	94.6	Very high	90.6	Very high	115 Å²	115	73.7 Å²	73.7	62%	0.615	37%	0.368	S	S	*	.	H	α-helix	trans	-72.4	-36.7	176.5	-63.1	-38.5	0	0	0	110.4	D171 K176 A177	D171-N173 PolarHBondContact O-N 3.24Å; D171-N173 WeakPolarHBondContact OD1-CA 3.48Å; D171-N173 VanDerWaalsContact OD1-CB 3.28Å; D171-N173 WeakPolarHBondContact OD1-CB 3.27Å; D171-N173 PolarHBondContact OD1-N 2.79Å; N173-K176 PolarHBondContact O-N 3.44Å; N173-A177 WeakPolarHBondContact O-CB 3.36Å; N173-A177 PolarHBondContact O-N 3.36Å
174	F	94.6	Very high	92	Very high	9 Å²	9	71.3 Å²	71.3	4%	0.039	37%	0.365	C	S	.	.	H	α-helix	trans	-61.9	-48.3	173.2	-175.3	-123	0	0	0	111.7	D171 K176 A177 I178 D378 D379 H382 L393 R394 D395	D171-F174 HydrophobicContact CB-CB 3.76Å; D171-F174 WeakPolarHBondContact O-CB 3.24Å; D171-F174 PolarHBondContact O-N 3.2Å; D171-F174 PolarHBondContact OD1-N 2.84Å; F174-K176 VanDerWaalsContact C-N 3.33Å; F174-K176 PolarHBondContact O-N 2.94Å; F174-A177 WeakPolarHBondContact O-CB 3.46Å; F174-A177 PolarHBondContact O-N 2.9Å; F174-A177 VanDerWaalsContact O-N 3.08Å; F174-I178 HydrophobicContact CD1-CD1 3.88Å; F174-I178 HydrophobicContact CE1-CD1 3.61Å; F174-I178 HydrophobicContact CE2-CD1 4.29Å; F174-I178 HydrophobicContact CE2-CG1 4.4Å; F174-I178 HydrophobicContact CG-CD1 4.35Å; F174-I178 HydrophobicContact CZ-CD1 3.82Å; F174-I178 HydrophobicContact CZ-CG1 4.34Å; F174-I178 WeakPolarHBondContact O-CG1 3.26Å; F174-I178 PolarHBondContact O-N 3.35Å; F174-D378 HydrophobicContact CE1-CB 4.11Å; F174-D378 HydrophobicContact CZ-CB 4.01Å; F174-D379 HydrophobicContact CZ-CB 4.26Å; F174-H382 AromaticContact CD1-CD2 3.79Å; F174-H382 AromaticContact CD1-NE2 3.68Å; F174-H382 AromaticContact CE1-CD2 3.66Å; F174-H382 AromaticContact CE1-NE2 3.85Å; F174-L393 HydrophobicContact CE2-CB 3.72Å; F174-L393 HydrophobicContact CZ-CB 4.39Å; F174-R394 WeakPolarHBondContact CE2-O 3.16Å; F174-D395 HydrophobicContact CD1-CB 3.9Å; F174-D395 HydrophobicContact CD2-CB 4.4Å; F174-D395 HydrophobicContact CE1-CB 3.84Å; F174-D395 HydrophobicContact CE2-CB 4.36Å; F174-D395 HydrophobicContact CG-CB 4.19Å; F174-D395 HydrophobicContact CZ-CB 4.1Å
175	V	95.6	Very high	93	Very high	14 Å²	14	70.6 Å²	70.6	9%	0.085	36%	0.359	C	S	.	.	H	α-helix	trans	-58.6	-43.5	175.1	174.1	0	0	0	0	111.7	D171 A177 I178 N179 A187 T189 H382	D171-V175 PolarHBondContact O-N 2.97Å; D171-V175 VanDerWaalsContact O-N 3.12Å; V175-A177 VanDerWaalsContact C-N 3.34Å; V175-A177 PolarHBondContact O-N 2.55Å; V175-I178 PolarHBondContact O-N 2.82Å; V175-N179 PolarHBondContact O-N 2.64Å; V175-N179 VanDerWaalsContact O-N 3.11Å; V175-N179 PolarHBondContact O-ND2 3.2Å; V175-A187 HydrophobicContact CG1-CB 3.99Å; V175-A187 WeakPolarHBondContact CG1-O 3.33Å; V175-T189 HydrophobicContact CG2-CG2 3.97Å; V175-H382 HydrophobicContact CG2-CB 4.47Å
176	K	96.3	Very high	93.7	Very high	139 Å²	139	66.5 Å²	66.5	60%	0.604	34%	0.338	S	S	*	.	H	α-helix	trans	-62.5	-40.1	174.8	-75.1	171.9	-174.7	176.3	0	112.2	H172 N173 F174 N179 A180	H172-K176 WeakPolarHBondContact O-CB 3.45Å; H172-K176 VanDerWaalsContact O-CG 3.23Å; H172-K176 WeakPolarHBondContact O-CG 3.36Å; H172-K176 PolarHBondContact O-N 3.48Å; N173-K176 PolarHBondContact O-N 3.44Å; F174-K176 VanDerWaalsContact C-N 3.33Å; F174-K176 PolarHBondContact O-N 2.94Å; K176-N179 PolarHBondContact O-N 3.4Å; K176-A180 WeakPolarHBondContact O-CB 3.49Å; K176-A180 PolarHBondContact O-N 3.17Å
177	A	96.2	Very high	94.1	Very high	42 Å²	42	63.1 Å²	63.1	35%	0.347	33%	0.327	S	S	.	.	H	α-helix	trans	-65	-44.2	178.9	0	0	0	0	0	111.7	N173 F174 V175 N179 A180 I181 L393	N173-A177 WeakPolarHBondContact O-CB 3.36Å; N173-A177 PolarHBondContact O-N 3.36Å; F174-A177 WeakPolarHBondContact O-CB 3.46Å; F174-A177 PolarHBondContact O-N 2.9Å; F174-A177 VanDerWaalsContact O-N 3.08Å; V175-A177 VanDerWaalsContact C-N 3.34Å; V175-A177 PolarHBondContact O-N 2.55Å; A177-N179 VanDerWaalsContact C-N 3.34Å; A177-N179 PolarHBondContact O-N 2.83Å; A177-A180 PolarHBondContact O-N 3.38Å; A177-A180 VanDerWaalsContact O-N 3.13Å; A177-I181 PolarHBondContact O-N 3.38Å; A177-I181 VanDerWaalsContact O-N 3.11Å; A177-L393 HydrophobicContact CB-CD1 4.24Å
178	I	96.3	Very high	94.4	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-57	-48.5	174.3	-67.9	164.3	0	0	0	110.7	F174 V175 A180 I181 Q182 W185 A187 D379 T391 L393	F174-I178 HydrophobicContact CD1-CD1 3.88Å; F174-I178 HydrophobicContact CE1-CD1 3.61Å; F174-I178 HydrophobicContact CE2-CD1 4.29Å; F174-I178 HydrophobicContact CE2-CG1 4.4Å; F174-I178 HydrophobicContact CG-CD1 4.35Å; F174-I178 HydrophobicContact CZ-CD1 3.82Å; F174-I178 HydrophobicContact CZ-CG1 4.34Å; F174-I178 WeakPolarHBondContact O-CG1 3.26Å; F174-I178 PolarHBondContact O-N 3.35Å; V175-I178 PolarHBondContact O-N 2.82Å; I178-A180 PolarHBondContact O-N 2.99Å; I178-I181 PolarHBondContact O-N 3.13Å; I178-Q182 PolarHBondContact O-NE2 2.85Å; I178-W185 HydrophobicContact CD1-CH2 4.39Å; I178-W185 HydrophobicContact CG2-CH2 3.37Å; I178-W185 HydrophobicContact CG2-CZ2 3.54Å; I178-W185 HydrophobicContact CG2-CZ3 3.91Å; I178-A187 HydrophobicContact CB-CB 4.04Å; I178-A187 HydrophobicContact CD1-CB 4.22Å; I178-A187 HydrophobicContact CG2-CB 3.68Å; I178-D379 HydrophobicContact CD1-CB 3.75Å; I178-D379 HydrophobicContact CG1-CB 4.24Å; I178-T391 HydrophobicContact CG2-CG2 4.41Å; I178-L393 HydrophobicContact CG1-CD1 3.92Å
179	N	97.6	Very high	94.7	Very high	67 Å²	67	62.1 Å²	62.1	36%	0.358	33%	0.325	S	S	.	.	H	α-helix	trans	-69.4	-17	-179.6	-73	-30.6	0	0	0	113.6	V175 K176 A177 T186 A187	V175-N179 PolarHBondContact O-N 2.64Å; V175-N179 VanDerWaalsContact O-N 3.11Å; V175-N179 PolarHBondContact O-ND2 3.2Å; K176-N179 PolarHBondContact O-N 3.4Å; A177-N179 VanDerWaalsContact C-N 3.34Å; A177-N179 PolarHBondContact O-N 2.83Å; N179-T186 WeakPolarHBondContact OD1-CA 3.2Å; N179-A187 PolarHBondContact ND2-O 3.1Å; N179-A187 PolarHBondContact OD1-N 3Å
180	A	96.8	Very high	94.9	Very high	84 Å²	84	57.6 Å²	57.6	69%	0.694	31%	0.305	S	S	*	.	H	α-helix	trans	-90	-32	178.9	0	0	0	0	0	113.3	K176 A177 I178	K176-A180 WeakPolarHBondContact O-CB 3.49Å; K176-A180 PolarHBondContact O-N 3.17Å; A177-A180 PolarHBondContact O-N 3.38Å; A177-A180 VanDerWaalsContact O-N 3.13Å; I178-A180 PolarHBondContact O-N 2.99Å
181	I	95.6	Very high	95.1	Very high	108 Å²	108	60.9 Å²	60.9	55%	0.554	33%	0.325	S	S	*	.	H	α-helix	trans	-86.3	-24.3	-172.5	-161.1	166.3	0	0	0	113.8	A177 I178 T391 L393	A177-I181 PolarHBondContact O-N 3.38Å; A177-I181 VanDerWaalsContact O-N 3.11Å; I178-I181 PolarHBondContact O-N 3.13Å; I181-T391 HydrophobicContact CG2-CG2 4.22Å; I181-L393 HydrophobicContact CD1-CD2 4.32Å; I181-L393 HydrophobicContact CG2-CD1 3.88Å
182	Q	93.3	Very high	95.1	Very high	32 Å²	32	63.9 Å²	63.9	15%	0.15	34%	0.338	C	S	.	.			trans	-137	168.8	-178.4	64.5	69.9	39.9	0	0	111.6	I178 S184 W185 T391	I178-Q182 PolarHBondContact O-NE2 2.85Å; Q182-S184 PolarHBondContact OE1-OG 3.39Å; Q182-W185 PolarHBondContact NE2-O 2.87Å; Q182-W185 VanDerWaalsContact OE1-CD1 3.23Å; Q182-W185 PolarHBondContact OE1-O 2.95Å; Q182-T391 HydrophobicContact CG-CG2 3.72Å
183	K	94.2	Very high	95.2	Very high	208 Å²	208	59.5 Å²	59.5	90%	0.904	32%	0.318	S	S	*	.	S	Bend	trans	-133.2	-0.3	-176.5	-61.8	-176.6	-179.8	179.6	0	114.6
184	S	96	Very high	95	Very high	40 Å²	40	57.3 Å²	57.3	28%	0.28	30%	0.304	S	S	.	.	S	Bend	trans	-80.9	-22.3	-176.5	66.1	0	0	0	0	112.6	Q182 G386 I387	Q182-S184 PolarHBondContact OE1-OG 3.39Å; S184-G386 CarbonylContact O-C 3.43Å; S184-G386 WeakPolarHBondContact O-CA 3.34Å; S184-I387 CarbonylContact C-O 3.59Å; S184-I387 WeakPolarHBondContact CB-O 3.03Å; S184-I387 PolarHBondContact O-N 3.23Å; S184-I387 PolarHBondContact OG-O 2.7Å
185	W	97.8	Very high	94.9	Very high	5 Å²	5	62.1 Å²	62.1	2%	0.019	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	166.3	177.1	63.5	-82.2	0	0	0	112.1	I178 Q182 A187 D379 Y383 N385 Y388 H389 T391	I178-W185 HydrophobicContact CD1-CH2 4.39Å; I178-W185 HydrophobicContact CG2-CH2 3.37Å; I178-W185 HydrophobicContact CG2-CZ2 3.54Å; I178-W185 HydrophobicContact CG2-CZ3 3.91Å; Q182-W185 PolarHBondContact NE2-O 2.87Å; Q182-W185 VanDerWaalsContact OE1-CD1 3.23Å; Q182-W185 PolarHBondContact OE1-O 2.95Å; W185-A187 HydrophobicContact CE3-CB 4.44Å; W185-A187 HydrophobicContact CH2-CB 4.28Å; W185-A187 HydrophobicContact CZ3-CB 3.71Å; W185-D379 HydrophobicContact CH2-CB 3.99Å; W185-D379 VanDerWaalsContact CH2-O 3.28Å; W185-D379 WeakPolarHBondContact CH2-O 3.26Å; W185-D379 HydrophobicContact CZ2-CB 4.18Å; W185-Y383 HydrophobicContact CB-CD2 4.39Å; W185-Y383 HydrophobicContact CB-CE2 4.19Å; W185-Y383 HydrophobicContact CD2-CD2 4.4Å; W185-Y383 AromaticContact CE3-CD2 3.92Å; W185-Y383 HydrophobicContact CE3-CD2 3.92Å; W185-N385 CarbonylContact C-O 3.55Å; W185-N385 WeakPolarHBondContact CA-O 3.28Å; W185-N385 WeakPolarHBondContact CB-O 3.24Å; W185-Y388 HydrophobicContact CD2-CD2 4.08Å; W185-Y388 AromaticContact CE2-CD2 3.72Å; W185-Y388 HydrophobicContact CE3-CD2 4.45Å; W185-Y388 HydrophobicContact CH2-CD2 4.19Å; W185-Y388 HydrophobicContact CH2-CE2 4.14Å; W185-Y388 AromaticContact CZ2-CD2 3.8Å; W185-Y388 HydrophobicContact CZ2-CD2 3.8Å; W185-Y388 AromaticContact CZ2-CE2 3.76Å; W185-Y388 HydrophobicContact CZ2-CE2 3.76Å; W185-H389 PolarHBondContact NE1-O 2.94Å; W185-T391 HydrophobicContact CZ2-CG2 3.97Å
186	T	97.8	Very high	94.7	Very high	48 Å²	48	62.5 Å²	62.5	29%	0.294	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	140	174.8	67.5	0	0	0	0	111.5	N179 Q384 N385	N179-T186 WeakPolarHBondContact OD1-CA 3.2Å; T186-Q384 VanDerWaalsContact O-CB 3.26Å; T186-Q384 WeakPolarHBondContact O-CB 3.4Å; T186-Q384 PolarHBondContact O-N 3.17Å; T186-N385 PolarHBondContact N-O 3.06Å; T186-N385 PolarHBondContact OG1-ND2 3.01Å; T186-N385 PolarHBondContact OG1-OD1 3.37Å
187	A	97.6	Very high	94.5	Very high	5 Å²	5	57.2 Å²	57.2	4%	0.041	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	146.4	174.8	0	0	0	0	0	111.9	V175 I178 N179 W185 H382	V175-A187 HydrophobicContact CG1-CB 3.99Å; V175-A187 WeakPolarHBondContact CG1-O 3.33Å; I178-A187 HydrophobicContact CB-CB 4.04Å; I178-A187 HydrophobicContact CD1-CB 4.22Å; I178-A187 HydrophobicContact CG2-CB 3.68Å; N179-A187 PolarHBondContact ND2-O 3.1Å; N179-A187 PolarHBondContact OD1-N 3Å; W185-A187 HydrophobicContact CE3-CB 4.44Å; W185-A187 HydrophobicContact CH2-CB 4.28Å; W185-A187 HydrophobicContact CZ3-CB 3.71Å; A187-H382 CarbonylContact C-O 3.56Å; A187-H382 WeakPolarHBondContact CA-O 3.46Å; A187-H382 HydrophobicContact CB-CB 3.92Å
188	T	96.9	Very high	94.1	Very high	33 Å²	33	55.5 Å²	55.5	20%	0.202	30%	0.3	C	S	.	.			trans	-139.4	176.5	175.5	-162.6	0	0	0	0	111.9	Y190 H382 Q384	T188-Y190 HydrophobicContact CG2-CD2 4.38Å; T188-Y190 HydrophobicContact CG2-CE1 4.06Å; T188-Y190 HydrophobicContact CG2-CE2 3.73Å; T188-H382 PolarHBondContact N-O 2.74Å; T188-H382 WeakPolarHBondContact O-CB 3.21Å; T188-H382 PolarHBondContact O-ND1 2.74Å; T188-H382 VanDerWaalsContact O-ND1 3.16Å; T188-Q384 HydrophobicContact CG2-CB 3.66Å; T188-Q384 HydrophobicContact CG2-CG 3.78Å
189	T	94.8	Very high	93.7	Very high	40 Å²	40	55.8 Å²	55.8	25%	0.245	30%	0.303	C	S	.	.			trans	-105.4	137.9	173.1	54.8	0	0	0	0	110.8	Y170 V175	Y170-T189 HydrophobicContact CD2-CG2 4.4Å; Y170-T189 HydrophobicContact CG-CG2 4.09Å; V175-T189 HydrophobicContact CG2-CG2 3.97Å
190	Y	94.1	Very high	93.4	Very high	19 Å²	19	54.6 Å²	54.6	8%	0.075	30%	0.297	C	S	.	.			trans	-108.4	111.2	173.5	-64.8	-77.1	0	0	0	109.7	T188 E192 Y193 Y383 S432 W433 G434	T188-Y190 HydrophobicContact CG2-CD2 4.38Å; T188-Y190 HydrophobicContact CG2-CE1 4.06Å; T188-Y190 HydrophobicContact CG2-CE2 3.73Å; Y190-E192 PolarHBondContact O-N 2.79Å; Y190-Y193 HydrophobicContact CD2-CD2 4.46Å; Y190-Y193 HydrophobicContact CD2-CE1 4.49Å; Y190-Y193 AromaticContact CD2-CE2 3.7Å; Y190-Y193 HydrophobicContact CD2-CE2 3.7Å; Y190-Y193 AromaticContact CD2-CZ 3.73Å; Y190-Y193 HydrophobicContact CG-CE1 4.32Å; Y190-Y193 HydrophobicContact CG-CE2 4.17Å; Y190-Y193 AromaticContact CG-CZ 4Å; Y190-Y193 WeakPolarHBondContact O-CB 3.46Å; Y190-Y193 PolarHBondContact O-N 3.17Å; Y190-Y193 VanDerWaalsContact O-N 3.08Å; Y190-Y383 PolarHBondContact OH-O 2.67Å; Y190-S432 WeakPolarHBondContact CE1-O 3.44Å; Y190-W433 AromaticContact CD2-CD1 3.94Å; Y190-W433 HydrophobicContact CE1-CB 4.36Å; Y190-W433 HydrophobicContact CE1-CG 4.48Å; Y190-W433 AromaticContact CE2-CD1 3.48Å; Y190-W433 VanDerWaalsContact CE2-CD1 3.48Å; Y190-W433 HydrophobicContact CE2-CG 4.49Å; Y190-W433 AromaticContact CE2-NE1 3.74Å; Y190-W433 AromaticContact CZ-CD1 3.55Å; Y190-G434 PolarHBondContact OH-N 3.37Å
191	M	89.9	Confident	93.1	Very high	148 Å²	148	50.7 Å²	50.7	73%	0.729	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-61.1	-31	-179.1	-66.5	-177.1	-68.9	0	0	112.1	Y193 E194	M191-Y193 PolarHBondContact O-N 3.13Å; M191-Y193 VanDerWaalsContact O-N 3.13Å; M191-E194 PolarHBondContact O-N 3.46Å; M191-E194 VanDerWaalsContact O-N 3.09Å
192	E	90	Very high	92.8	Very high	90 Å²	90	46.1 Å²	46.1	42%	0.421	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-58.4	-23.7	176.4	-63.9	151.6	-149.1	0	0	112.9	Y190 E194 T195 S432	Y190-E192 PolarHBondContact O-N 2.79Å; E192-E194 VanDerWaalsContact C-N 3.3Å; E192-E194 PolarHBondContact O-N 2.85Å; E192-T195 PolarHBondContact O-N 2.81Å; E192-T195 PolarHBondContact O-OG1 3.46Å; E192-S432 PolarHBondContact OE1-OG 2.69Å; E192-S432 PolarHBondContact OE2-OG 2.78Å; E192-S432 VanDerWaalsContact OE2-OG 3.04Å
193	Y	92.3	Very high	92.5	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.016	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-71.5	-26.4	178.4	-65.2	-6.2	0	0	0	112.3	Y168 Y190 M191 T195 L196 M201 L381 W433	Y168-Y193 WeakPolarHBondContact CB-O 3.39Å; Y168-Y193 HydrophobicContact CD1-CD2 4.43Å; Y168-Y193 HydrophobicContact CE1-CD2 4.02Å; Y190-Y193 HydrophobicContact CD2-CD2 4.46Å; Y190-Y193 HydrophobicContact CD2-CE1 4.49Å; Y190-Y193 AromaticContact CD2-CE2 3.7Å; Y190-Y193 HydrophobicContact CD2-CE2 3.7Å; Y190-Y193 AromaticContact CD2-CZ 3.73Å; Y190-Y193 HydrophobicContact CG-CE1 4.32Å; Y190-Y193 HydrophobicContact CG-CE2 4.17Å; Y190-Y193 AromaticContact CG-CZ 4Å; Y190-Y193 WeakPolarHBondContact O-CB 3.46Å; Y190-Y193 PolarHBondContact O-N 3.17Å; Y190-Y193 VanDerWaalsContact O-N 3.08Å; M191-Y193 PolarHBondContact O-N 3.13Å; M191-Y193 VanDerWaalsContact O-N 3.13Å; Y193-T195 PolarHBondContact O-N 3.42Å; Y193-T195 VanDerWaalsContact O-N 3.17Å; Y193-L196 WeakPolarHBondContact O-CB 3.36Å; Y193-L196 PolarHBondContact O-N 3.48Å; Y193-M201 HydrophobicContact CD1-CE 4.01Å; Y193-M201 HydrophobicContact CD1-SD 4.11Å; Y193-M201 HydrophobicContact CD2-CE 3.52Å; Y193-M201 HydrophobicContact CD2-SD 4.45Å; Y193-M201 HydrophobicContact CE1-CE 4.17Å; Y193-M201 HydrophobicContact CE2-CE 3.69Å; Y193-M201 HydrophobicContact CG-CE 3.69Å; Y193-M201 HydrophobicContact CG-SD 4.02Å; Y193-L381 HydrophobicContact CE2-CB 4.23Å; Y193-L381 VanDerWaalsContact CE2-O 3.29Å; Y193-L381 WeakPolarHBondContact CE2-O 3.49Å; Y193-L381 PolarHBondContact OH-O 2.79Å; Y193-L381 VanDerWaalsContact OH-O 3.12Å; Y193-W433 PolarHBondContact OH-NE1 3.36Å; Y193-W433 VanDerWaalsContact OH-NE1 3.17Å
194	E	91.4	Very high	92.4	Very high	68 Å²	68	37 Å²	37	32%	0.318	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-68.3	-14	178.6	-61.6	-163.6	123.2	0	0	113.2	Y168 Y170 M191 E192 L196	Y168-E194 WeakPolarHBondContact O-CA 3.15Å; Y170-E194 HydrophobicContact CD1-CG 3.89Å; Y170-E194 HydrophobicContact CE1-CG 3.89Å; Y170-E194 WeakPolarHBondContact CE1-OE1 3.45Å; Y170-E194 WeakPolarHBondContact CE1-OE2 3.39Å; M191-E194 PolarHBondContact O-N 3.46Å; M191-E194 VanDerWaalsContact O-N 3.09Å; E192-E194 VanDerWaalsContact C-N 3.3Å; E192-E194 PolarHBondContact O-N 2.85Å; E194-L196 VanDerWaalsContact C-N 3.28Å
195	T	92	Very high	92.2	Very high	111 Å²	111	35.1 Å²	35.1	68%	0.681	19%	0.187	S	C	*	.	G	3₁₀ helix	trans	-83.9	-5.8	171.3	70.8	0	0	0	0	113	E192 Y193	E192-T195 PolarHBondContact O-N 2.81Å; E192-T195 PolarHBondContact O-OG1 3.46Å; Y193-T195 PolarHBondContact O-N 3.42Å; Y193-T195 VanDerWaalsContact O-N 3.17Å
196	L	91.9	Very high	91.7	Very high	21 Å²	21	34.9 Å²	34.9	11%	0.11	19%	0.186	C	C	.	.	S	Bend	trans	-107.6	145.1	-178.1	-62.4	177.1	0	0	0	110.4	Y168 Y193 E194 D200 M201	Y168-L196 PolarHBondContact N-O 3.34Å; Y193-L196 WeakPolarHBondContact O-CB 3.36Å; Y193-L196 PolarHBondContact O-N 3.48Å; E194-L196 VanDerWaalsContact C-N 3.28Å; L196-D200 HydrophobicContact CB-CB 4.04Å; L196-D200 HydrophobicContact CD2-CB 4.12Å; L196-M201 HydrophobicContact CB-CG 4.17Å; L196-M201 HydrophobicContact CB-SD 4.03Å; L196-M201 HydrophobicContact CD1-SD 3.58Å; L196-M201 VanDerWaalsContact CD1-SD 3.58Å; L196-M201 HydrophobicContact CG-SD 4.45Å
197	T	92.2	Very high	90.8	Very high	29 Å²	29	32.7 Å²	32.7	18%	0.178	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-77.4	162.4	169.6	70.6	0	0	0	0	110.5	S164 R166 L167 G199 D200 M201	S164-T197 WeakPolarHBondContact O-CB 3.45Å; S164-T197 PolarHBondContact O-OG1 3.47Å; R166-T197 CarbonylContact O-C 3.47Å; R166-T197 WeakPolarHBondContact O-CA 3.39Å; L167-T197 HydrophobicContact CD2-CG2 4.24Å; T197-G199 PolarHBondContact O-N 2.69Å; T197-D200 WeakPolarHBondContact CB-OD2 3.41Å; T197-D200 PolarHBondContact N-OD2 2.71Å; T197-D200 WeakPolarHBondContact O-CB 3.29Å; T197-D200 PolarHBondContact O-N 2.88Å; T197-D200 VanDerWaalsContact O-N 3.11Å; T197-D200 PolarHBondContact OG1-N 3.28Å; T197-D200 VanDerWaalsContact OG1-N 3.09Å; T197-D200 PolarHBondContact OG1-OD2 3.29Å; T197-M201 WeakPolarHBondContact O-CG 3.37Å; T197-M201 PolarHBondContact O-N 3.46Å
198	L	88.3	Confident	89.8	Confident	5 Å²	5	34.2 Å²	34.2	3%	0.026	18%	0.179	C	C	.	.	H	α-helix	trans	-59.6	-35.2	172.2	-74.5	173.2	0	0	0	111.9	S164 R166 Y168 D200 M201 I202 N398	S164-L198 PolarHBondContact O-N 3.08Å; R166-L198 HydrophobicContact CB-CD1 4.39Å; R166-L198 PolarHBondContact O-N 3.07Å; Y168-L198 HydrophobicContact CD2-CD2 3.79Å; L198-D200 VanDerWaalsContact C-N 3.35Å; L198-M201 PolarHBondContact O-N 2.99Å; L198-I202 WeakPolarHBondContact O-CG1 3.5Å; L198-I202 PolarHBondContact O-N 3.29Å; L198-N398 HydrophobicContact CD2-CB 4Å
199	G	87.7	Confident	88.8	Confident	7 Å²	7	33.7 Å²	33.7	7%	0.072	18%	0.177	C	C	.	.	H	α-helix	trans	-60	-44.3	172.6	0	0	0	0	0	111.9	S164 T197 M201 I202 K203	S164-G199 PolarHBondContact O-N 2.9Å; T197-G199 PolarHBondContact O-N 2.69Å; G199-M201 VanDerWaalsContact C-N 3.35Å; G199-I202 PolarHBondContact O-N 2.66Å; G199-K203 WeakPolarHBondContact O-CB 3.29Å; G199-K203 PolarHBondContact O-N 3.17Å
200	D	90.9	Very high	87.9	Confident	41 Å²	41	35.8 Å²	35.8	22%	0.219	18%	0.18	C	C	.	.	H	α-helix	trans	-64.3	-39.5	175.4	-62.5	-48.9	0	0	0	112	L196 T197 L198 K203 R204 S254	L196-D200 HydrophobicContact CB-CB 4.04Å; L196-D200 HydrophobicContact CD2-CB 4.12Å; T197-D200 WeakPolarHBondContact CB-OD2 3.41Å; T197-D200 PolarHBondContact N-OD2 2.71Å; T197-D200 WeakPolarHBondContact O-CB 3.29Å; T197-D200 PolarHBondContact O-N 2.88Å; T197-D200 VanDerWaalsContact O-N 3.11Å; T197-D200 PolarHBondContact OG1-N 3.28Å; T197-D200 VanDerWaalsContact OG1-N 3.09Å; T197-D200 PolarHBondContact OG1-OD2 3.29Å; L198-D200 VanDerWaalsContact C-N 3.35Å; D200-K203 PolarHBondContact O-N 2.89Å; D200-R204 WeakPolarHBondContact O-CB 3.48Å; D200-R204 VanDerWaalsContact O-CG 3.27Å; D200-R204 WeakPolarHBondContact O-CG 3.12Å; D200-R204 PolarHBondContact O-N 2.82Å; D200-S254 WeakPolarHBondContact OD1-CB 3.4Å
201	M	90.6	Very high	86.7	Confident	2 Å²	2	44 Å²	44	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-64.7	-42.5	178.2	-70.9	-60.5	-67.3	0	0	112.2	Y168 Y193 L196 T197 L198 G199 R204 S205 L381	Y168-M201 HydrophobicContact CD2-CE 4.5Å; Y168-M201 HydrophobicContact CD2-CG 3.98Å; Y168-M201 HydrophobicContact CG-CG 4.23Å; Y193-M201 HydrophobicContact CD1-CE 4.01Å; Y193-M201 HydrophobicContact CD1-SD 4.11Å; Y193-M201 HydrophobicContact CD2-CE 3.52Å; Y193-M201 HydrophobicContact CD2-SD 4.45Å; Y193-M201 HydrophobicContact CE1-CE 4.17Å; Y193-M201 HydrophobicContact CE2-CE 3.69Å; Y193-M201 HydrophobicContact CG-CE 3.69Å; Y193-M201 HydrophobicContact CG-SD 4.02Å; L196-M201 HydrophobicContact CB-CG 4.17Å; L196-M201 HydrophobicContact CB-SD 4.03Å; L196-M201 HydrophobicContact CD1-SD 3.58Å; L196-M201 VanDerWaalsContact CD1-SD 3.58Å; L196-M201 HydrophobicContact CG-SD 4.45Å; T197-M201 WeakPolarHBondContact O-CG 3.37Å; T197-M201 PolarHBondContact O-N 3.46Å; L198-M201 PolarHBondContact O-N 2.99Å; G199-M201 VanDerWaalsContact C-N 3.35Å; M201-R204 WeakPolarHBondContact O-CG 3.1Å; M201-S205 WeakPolarHBondContact O-CB 3.45Å; M201-S205 PolarHBondContact O-N 3.05Å; M201-S205 PolarHBondContact O-OG 3.06Å; M201-L381 HydrophobicContact CE-CD1 4.08Å; M201-L381 HydrophobicContact CE-CD2 4.15Å
202	I	88.1	Confident	85.7	Confident	12 Å²	12	38 Å²	38	6%	0.062	19%	0.188	C	C	.	.	H	α-helix	trans	-65.4	-50.3	173.4	-67.1	165.1	0	0	0	109.2	L198 G199 R204 S205 G206 F400 E401 T403	L198-I202 WeakPolarHBondContact O-CG1 3.5Å; L198-I202 PolarHBondContact O-N 3.29Å; G199-I202 PolarHBondContact O-N 2.66Å; I202-R204 PolarHBondContact O-N 3.4Å; I202-S205 CarbonylContact O-C 3.07Å; I202-S205 WeakPolarHBondContact O-CA 3.3Å; I202-S205 WeakPolarHBondContact O-CB 3.39Å; I202-S205 PolarHBondContact O-N 3Å; I202-G206 PolarHBondContact O-N 3.15Å; I202-F400 HydrophobicContact CG1-CD2 3.96Å; I202-F400 HydrophobicContact CG1-CE2 4.06Å; I202-E401 HydrophobicContact CD1-CB 4.39Å; I202-E401 HydrophobicContact CD1-CG 4.35Å; I202-T403 HydrophobicContact CG2-CG2 3.86Å
203	K	88.9	Confident	84.9	Confident	39 Å²	39	38.7 Å²	38.7	17%	0.17	20%	0.2	C	C	.	.	H	α-helix	trans	-57.2	-46.9	-177.9	-169.9	175	-175.1	176.1	0	112.7	V22 G199 D200 S205 G206 G256 C298	V22-K203 HydrophobicContact CG1-CB 3.92Å; V22-K203 HydrophobicContact CG1-CD 4.1Å; V22-K203 HydrophobicContact CG1-CG 4.11Å; G199-K203 WeakPolarHBondContact O-CB 3.29Å; G199-K203 PolarHBondContact O-N 3.17Å; D200-K203 PolarHBondContact O-N 2.89Å; K203-S205 PolarHBondContact O-N 3.49Å; K203-G206 PolarHBondContact O-N 3.29Å; K203-G206 VanDerWaalsContact O-N 3.13Å; K203-G256 WeakPolarHBondContact O-CA 3.39Å; K203-C298 WeakPolarHBondContact CE-O 3.36Å
204	R	91.4	Very high	83.9	Confident	10 Å²	10	44 Å²	44	4%	0.038	22%	0.22	C	C	.	.	H	α-helix	trans	-69.6	-18.2	178.5	75.9	-179.2	-69.6	-169.6	0.2	113.7	D200 M201 I202 G206 Q252 A253 W429	D200-R204 WeakPolarHBondContact O-CB 3.48Å; D200-R204 VanDerWaalsContact O-CG 3.27Å; D200-R204 WeakPolarHBondContact O-CG 3.12Å; D200-R204 PolarHBondContact O-N 2.82Å; M201-R204 WeakPolarHBondContact O-CG 3.1Å; I202-R204 PolarHBondContact O-N 3.4Å; R204-G206 VanDerWaalsContact C-N 3.3Å; R204-Q252 PolarHBondContact O-NE2 3.02Å; R204-A253 WeakPolarHBondContact CB-O 3.41Å; R204-W429 PolarHBondContact O-NE1 2.86Å
205	S	90.6	Very high	82.9	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-0	175.2	-52.7	0	0	0	0	112.6	M201 I202 K203 T403 N404 H405	M201-S205 WeakPolarHBondContact O-CB 3.45Å; M201-S205 PolarHBondContact O-N 3.05Å; M201-S205 PolarHBondContact O-OG 3.06Å; I202-S205 CarbonylContact O-C 3.07Å; I202-S205 WeakPolarHBondContact O-CA 3.3Å; I202-S205 WeakPolarHBondContact O-CB 3.39Å; I202-S205 PolarHBondContact O-N 3Å; K203-S205 PolarHBondContact O-N 3.49Å; S205-T403 WeakPolarHBondContact CB-OG1 3.37Å; S205-T403 WeakPolarHBondContact O-CB 3.37Å; S205-T403 PolarHBondContact O-OG1 3.39Å; S205-N404 CarbonylContact O-C 3.55Å; S205-H405 WeakPolarHBondContact O-CA 3.44Å; S205-H405 WeakPolarHBondContact O-CB 3.43Å
206	G	87.8	Confident	82.4	Confident	0 Å²	0	45 Å²	45	0%	0	22%	0.215	C	C	.	.			trans	101.5	-159.5	170.6	0	0	0	0	0	114.6	C24 I202 K203 R204 N404	C24-G206 VanDerWaalsContact CB-O 3.23Å; C24-G206 WeakPolarHBondContact CB-O 3.4Å; I202-G206 PolarHBondContact O-N 3.15Å; K203-G206 PolarHBondContact O-N 3.29Å; K203-G206 VanDerWaalsContact O-N 3.13Å; R204-G206 VanDerWaalsContact C-N 3.3Å; G206-N404 WeakPolarHBondContact CA-O 3.41Å
207	G	79.3	Confident	82.1	Confident	2 Å²	2	48 Å²	48	2%	0.021	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	158.9	179.2	0	0	0	0	0	112.4	C24 S209 T403 N404	C24-G207 VanDerWaalsContact CB-CA 3.41Å; G207-S209 PolarHBondContact O-N 2.77Å; G207-T403 CarbonylContact O-C 3.54Å; G207-T403 WeakPolarHBondContact O-CA 3.43Å; G207-T403 WeakPolarHBondContact O-CB 3.27Å; G207-T403 WeakPolarHBondContact O-CG2 3.22Å; G207-N404 WeakPolarHBondContact CA-OD1 3.44Å; G207-N404 PolarHBondContact N-O 3.32Å; G207-N404 PolarHBondContact N-OD1 3.32Å; G207-N404 PolarHBondContact O-N 2.87Å; G207-N404 PolarHBondContact O-OD1 2.9Å; G207-N404 VanDerWaalsContact O-OD1 3.06Å
208	H	77.3	Confident	81.9	Confident	37 Å²	37	47.5 Å²	47.5	17%	0.171	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	124.2	171.3	-68.7	69	0	0	0	108.8	Q160 R210 E401	Q160-H208 PolarHBondContact NE2-CE1 3.43Å; Q160-H208 PolarHBondContact NE2-NE2 2.89Å; H208-R210 PolarHBondContact O-N 2.95Å; H208-E401 IonicContact CD2-OE2 3.69Å; H208-E401 PolarHBondContact CD2-OE2 3.32Å; H208-E401 IonicContact NE2-OE2 2.87Å; H208-E401 PolarHBondContact NE2-OE2 3.29Å
209	S	75.9	Confident	81.9	Confident	23 Å²	23	52.4 Å²	52.4	16%	0.161	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-66.7	129.6	177.7	-172.2	0	0	0	0	109.3	G207 E375 L402	G207-S209 PolarHBondContact O-N 2.77Å; S209-E375 PolarHBondContact OG-OE1 2.85Å; S209-L402 PolarHBondContact N-O 3.47Å
210	R	75.1	Confident	81.9	Confident	83 Å²	83	55.8 Å²	55.8	31%	0.313	28%	0.283	S	S	.	.			trans	-114	133	173.4	-61.4	-161	-177.6	-150.4	8.1	109.8	N29 Y88 H208 I212	N29-R210 WeakPolarHBondContact ND2-CD 3.43Å; N29-R210 PolarHBondContact ND2-NH1 3.22Å; N29-R210 VanDerWaalsContact OD1-CD 3.31Å; N29-R210 WeakPolarHBondContact OD1-CD 3.37Å; Y88-R210 PolarHBondContact OH-N 2.79Å; Y88-R210 PolarHBondContact OH-O 3.08Å; H208-R210 PolarHBondContact O-N 2.95Å; R210-I212 HydrophobicContact CB-CD1 4.01Å; R210-I212 HydrophobicContact CB-CG1 3.95Å; R210-I212 PolarHBondContact O-N 3.31Å
211	K	68.6	Low	81.9	Confident	192 Å²	192	56.6 Å²	56.6	84%	0.835	29%	0.289	S	S	*	.			trans	-72.3	98.3	171.5	-69.7	-172.2	178.1	-175.4	0	109.1
212	I	69.8	Low	82	Confident	23 Å²	23	59.3 Å²	59.3	12%	0.118	31%	0.313	C	S	.	.			trans	-116.1	134.1	-179.7	-57	174	0	0	0	107.9	N29 T31 N89 R210 R214	N29-I212 WeakPolarHBondContact OD1-CD1 3.17Å; T31-I212 HydrophobicContact CG2-CG2 4.49Å; N89-I212 HydrophobicContact CB-CD1 3.23Å; N89-I212 WeakPolarHBondContact ND2-CD1 3.48Å; R210-I212 HydrophobicContact CB-CD1 4.01Å; R210-I212 HydrophobicContact CB-CG1 3.95Å; R210-I212 PolarHBondContact O-N 3.31Å; I212-R214 PolarHBondContact O-N 2.82Å
213	P	73.4	Confident	82.2	Confident	104 Å²	104	64.7 Å²	64.7	68%	0.675	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-55.6	116.6	171.7	-23.6	33.7	0	0	0	110.2
214	R	70.7	Confident	82.3	Confident	116 Å²	116	64.4 Å²	64.4	44%	0.438	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-87.5	144.3	175.4	-66.5	173.6	-65.3	-179.6	10.4	109.4	I212 D446 S452	I212-R214 PolarHBondContact O-N 2.82Å; R214-D446 IonicContact CZ-OD2 3.31Å; R214-D446 IonicContact NH1-OD2 2.77Å; R214-D446 PolarHBondContact NH1-OD2 3.12Å; R214-D446 IonicContact NH2-OD2 3.16Å; R214-D446 PolarHBondContact NH2-OD2 3.17Å; R214-S452 PolarHBondContact NH1-OG 3.49Å
215	P	71.5	Confident	82.3	Confident	18 Å²	18	68.9 Å²	68.9	12%	0.117	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-53.5	156.6	162.5	-23.9	35.2	0	0	0	110.8	Y32 F351 Y352	Y32-P215 HydrophobicContact CD1-CG 4.31Å; Y32-P215 HydrophobicContact CD2-CG 4.2Å; Y32-P215 HydrophobicContact CG-CG 4.04Å; P215-F351 HydrophobicContact CB-CE2 4.31Å; P215-Y352 WeakPolarHBondContact CG-O 3.36Å
216	K	79.6	Confident	82.4	Confident	182 Å²	182	74.2 Å²	74.2	79%	0.791	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-68.6	141.8	176.4	-70.4	-173.9	177.5	-176.4	0	109.7	G353	K216-G353 CarbonylContact C-O 3.53Å; K216-G353 VanDerWaalsContact C-O 3.23Å; K216-G353 VanDerWaalsContact O-O 3.07Å
217	P	86.3	Confident	82.7	Confident	82 Å²	82	80 Å²	80	53%	0.532	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-48.4	147.5	171.2	-30.7	37.2	0	0	0	112.8	G353 C355 N356	P217-G353 WeakPolarHBondContact CA-O 3.14Å; P217-C355 WeakPolarHBondContact CB-O 3.4Å; P217-N356 HydrophobicContact CB-CB 4.27Å
218	A	88.5	Confident	83.3	Confident	20 Å²	20	81.6 Å²	81.6	17%	0.165	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-60	135.7	174.8	0	0	0	0	0	109.5	G354 N356 L359	A218-G354 VanDerWaalsContact CB-O 3.24Å; A218-G354 WeakPolarHBondContact CB-O 3.36Å; A218-G354 PolarHBondContact N-O 2.85Å; A218-N356 PolarHBondContact O-ND2 3.43Å; A218-N356 VanDerWaalsContact O-ND2 3.1Å; A218-L359 HydrophobicContact CB-CD1 4.16Å
219	P	88.2	Confident	84	Confident	108 Å²	108	86.1 Å²	86.1	70%	0.701	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-66.2	145.3	179.2	28.6	-34.3	0	0	0	110.6	T221	P219-T221 PolarHBondContact O-N 3.47Å
220	L	88.4	Confident	84.9	Confident	77 Å²	77	91.9 Å²	91.9	40%	0.403	47%	0.465	S	S	.	.			trans	-77.5	113.6	172.4	-59.3	-179.6	0	0	0	109.4	I224 Q225 A358	L220-I224 HydrophobicContact CD2-CG2 3.74Å; L220-Q225 HydrophobicContact CB-CG 4.19Å; L220-A358 HydrophobicContact CD1-CB 4.02Å; L220-A358 HydrophobicContact CD2-CB 3.48Å; L220-A358 VanDerWaalsContact CD2-CB 3.48Å; L220-A358 HydrophobicContact CG-CB 4.42Å
221	T	91.2	Very high	85.9	Confident	58 Å²	58	88.8 Å²	88.8	36%	0.356	46%	0.455	S	S	.	.			trans	-75.4	162.8	172.1	78.2	0	0	0	0	110.8	P219 E223 I224 Q225	P219-T221 PolarHBondContact O-N 3.47Å; T221-E223 WeakPolarHBondContact CB-OE2 3.41Å; T221-E223 PolarHBondContact O-N 3.42Å; T221-E223 PolarHBondContact OG1-N 2.88Å; T221-E223 PolarHBondContact OG1-OE2 2.88Å; T221-I224 HydrophobicContact CG2-CD1 4.2Å; T221-I224 PolarHBondContact O-N 2.88Å; T221-I224 VanDerWaalsContact O-N 3.17Å; T221-I224 PolarHBondContact OG1-N 3.23Å; T221-Q225 WeakPolarHBondContact O-CG 3.37Å; T221-Q225 PolarHBondContact O-N 2.92Å
222	A	92.1	Very high	87.3	Confident	60 Å²	60	82 Å²	82	50%	0.496	43%	0.43	S	S	.	.	H	α-helix	trans	-59	-35.6	176.6	0	0	0	0	0	111.6	Q225 Q226	A222-Q225 PolarHBondContact O-N 2.88Å; A222-Q226 WeakPolarHBondContact O-CG 3.48Å; A222-Q226 PolarHBondContact O-N 2.94Å
223	E	91.9	Very high	88.6	Confident	124 Å²	124	86.7 Å²	86.7	58%	0.579	46%	0.46	S	S	*	.	H	α-helix	trans	-66.1	-42.5	177	-57	73.6	-157.2	0	0	111.6	T221 Q226 K227	T221-E223 WeakPolarHBondContact CB-OE2 3.41Å; T221-E223 PolarHBondContact O-N 3.42Å; T221-E223 PolarHBondContact OG1-N 2.88Å; T221-E223 PolarHBondContact OG1-OE2 2.88Å; E223-Q226 PolarHBondContact O-N 3.25Å; E223-K227 WeakPolarHBondContact O-CG 3.42Å; E223-K227 PolarHBondContact O-N 3.09Å
224	I	91.5	Very high	89.8	Confident	33 Å²	33	85 Å²	85	17%	0.169	45%	0.451	C	S	.	.	H	α-helix	trans	-62.5	-46.7	176	-73	164.7	0	0	0	110	L220 T221 Q226 K227 I228 L359 L362	L220-I224 HydrophobicContact CD2-CG2 3.74Å; T221-I224 HydrophobicContact CG2-CD1 4.2Å; T221-I224 PolarHBondContact O-N 2.88Å; T221-I224 VanDerWaalsContact O-N 3.17Å; T221-I224 PolarHBondContact OG1-N 3.23Å; I224-Q226 VanDerWaalsContact C-N 3.32Å; I224-Q226 PolarHBondContact O-N 2.78Å; I224-K227 PolarHBondContact O-N 3.07Å; I224-I228 HydrophobicContact CG2-CD1 3.58Å; I224-I228 HydrophobicContact CG2-CG1 4.42Å; I224-I228 WeakPolarHBondContact O-CD1 3.09Å; I224-I228 VanDerWaalsContact O-CG1 3.25Å; I224-I228 WeakPolarHBondContact O-CG1 3.21Å; I224-I228 PolarHBondContact O-N 3.33Å; I224-L359 HydrophobicContact CD1-CD2 3.81Å; I224-L359 HydrophobicContact CG1-CD2 4.27Å; I224-L359 HydrophobicContact CG2-CD2 4.27Å; I224-L362 HydrophobicContact CG2-CD1 3.91Å
225	Q	91.3	Very high	91.2	Very high	105 Å²	105	82 Å²	82	49%	0.491	44%	0.44	S	S	.	.	H	α-helix	trans	-57.9	-44.9	177.1	-70.8	177	-14.8	0	0	111.7	L220 T221 A222 K227 I228 L229	L220-Q225 HydrophobicContact CB-CG 4.19Å; T221-Q225 WeakPolarHBondContact O-CG 3.37Å; T221-Q225 PolarHBondContact O-N 2.92Å; A222-Q225 PolarHBondContact O-N 2.88Å; Q225-K227 PolarHBondContact O-N 3.34Å; Q225-I228 PolarHBondContact O-N 2.83Å; Q225-L229 WeakPolarHBondContact O-CG 3.35Å; Q225-L229 PolarHBondContact O-N 2.79Å
226	Q	92.8	Very high	92.5	Very high	112 Å²	112	82.8 Å²	82.8	52%	0.523	44%	0.443	S	S	.	.	H	α-helix	trans	-60.2	-45	175.4	-75.6	-65.4	-25.3	0	0	112.1	A222 E223 I224 I228 L229 H230	A222-Q226 WeakPolarHBondContact O-CG 3.48Å; A222-Q226 PolarHBondContact O-N 2.94Å; E223-Q226 PolarHBondContact O-N 3.25Å; I224-Q226 VanDerWaalsContact C-N 3.32Å; I224-Q226 PolarHBondContact O-N 2.78Å; Q226-I228 VanDerWaalsContact C-N 3.3Å; Q226-I228 PolarHBondContact O-N 2.93Å; Q226-L229 PolarHBondContact O-N 3.5Å; Q226-H230 PolarHBondContact O-ND1 2.8Å
227	K	93.8	Very high	93.4	Very high	120 Å²	120	75 Å²	75	52%	0.522	41%	0.408	S	S	.	.	H	α-helix	trans	-61.6	-38.3	177.3	-72.1	179.3	176.4	-176.6	0	112.4	E223 I224 Q225 L229 H230 L231 L362	E223-K227 WeakPolarHBondContact O-CG 3.42Å; E223-K227 PolarHBondContact O-N 3.09Å; I224-K227 PolarHBondContact O-N 3.07Å; Q225-K227 PolarHBondContact O-N 3.34Å; K227-L229 VanDerWaalsContact C-N 3.34Å; K227-L229 PolarHBondContact O-N 3.43Å; K227-H230 PolarHBondContact O-N 3.05Å; K227-L231 PolarHBondContact O-N 3.46Å; K227-L362 HydrophobicContact CB-CD1 4.48Å; K227-L362 HydrophobicContact CB-CD2 3.57Å
228	I	92.7	Very high	94	Very high	37 Å²	37	74.7 Å²	74.7	19%	0.19	40%	0.397	C	S	.	.	H	α-helix	trans	-65.5	-36.9	179.8	-67.3	157.1	0	0	0	111.8	I224 Q225 Q226 H230 L231 A358 L362	I224-I228 HydrophobicContact CG2-CD1 3.58Å; I224-I228 HydrophobicContact CG2-CG1 4.42Å; I224-I228 WeakPolarHBondContact O-CD1 3.09Å; I224-I228 VanDerWaalsContact O-CG1 3.25Å; I224-I228 WeakPolarHBondContact O-CG1 3.21Å; I224-I228 PolarHBondContact O-N 3.33Å; Q225-I228 PolarHBondContact O-N 2.83Å; Q226-I228 VanDerWaalsContact C-N 3.3Å; Q226-I228 PolarHBondContact O-N 2.93Å; I228-H230 PolarHBondContact O-N 3.23Å; I228-L231 WeakPolarHBondContact O-CB 3.36Å; I228-L231 PolarHBondContact O-N 2.83Å; I228-A358 HydrophobicContact CD1-CB 3.31Å; I228-A358 HydrophobicContact CG1-CB 4.35Å; I228-L362 HydrophobicContact CD1-CD1 4.47Å; I228-L362 HydrophobicContact CG1-CD1 4.03Å; I228-L362 HydrophobicContact CG1-CD2 4.26Å; I228-L362 HydrophobicContact CG1-CG 4.04Å
229	L	91.6	Very high	94.5	Very high	131 Å²	131	78.4 Å²	78.4	69%	0.686	41%	0.414	S	S	*	.	H	α-helix	trans	-61.6	-23.5	177	-68.4	172.7	0	0	0	113.1	Q225 Q226 K227	Q225-L229 WeakPolarHBondContact O-CG 3.35Å; Q225-L229 PolarHBondContact O-N 2.79Å; Q226-L229 PolarHBondContact O-N 3.5Å; K227-L229 VanDerWaalsContact C-N 3.34Å; K227-L229 PolarHBondContact O-N 3.43Å
230	H	94.3	Very high	94.9	Very high	145 Å²	145	74.4 Å²	74.4	67%	0.671	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-4.4	178.5	-63.1	87.7	0	0	0	113.2	Q226 K227 I228	Q226-H230 PolarHBondContact O-ND1 2.8Å; K227-H230 PolarHBondContact O-N 3.05Å; I228-H230 PolarHBondContact O-N 3.23Å
231	L	97.1	Very high	95.4	Very high	18 Å²	18	79.2 Å²	79.2	9%	0.094	41%	0.408	C	S	.	.	S	Bend	trans	-71.9	147.7	174.3	-68.2	-176.2	0	0	0	110.6	K227 I228 K361 L362 V365 Y366	K227-L231 PolarHBondContact O-N 3.46Å; I228-L231 WeakPolarHBondContact O-CB 3.36Å; I228-L231 PolarHBondContact O-N 2.83Å; L231-K361 HydrophobicContact CD1-CB 3.73Å; L231-L362 HydrophobicContact CD1-CD2 3.87Å; L231-L362 HydrophobicContact CD1-CG 4.16Å; L231-L362 HydrophobicContact CD2-CD2 4.21Å; L231-L362 HydrophobicContact CG-CD2 4.14Å; L231-V365 HydrophobicContact CD2-CB 3.91Å; L231-V365 HydrophobicContact CD2-CG1 3.93Å; L231-V365 HydrophobicContact CD2-CG2 4.12Å; L231-Y366 HydrophobicContact CD2-CE2 4.16Å
232	P	97.8	Very high	95.7	Very high	48 Å²	48	79.6 Å²	79.6	31%	0.312	42%	0.423	S	S	.	.			trans	-61.7	153.6	173.3	26	-31.8	0	0	0	110.8	S234 W235 Y412	P232-S234 PolarHBondContact O-N 3.4Å; P232-W235 HydrophobicContact CB-CE3 4.43Å; P232-W235 HydrophobicContact CG-CD2 4.37Å; P232-W235 HydrophobicContact CG-CE3 3.44Å; P232-W235 VanDerWaalsContact CG-CE3 3.44Å; P232-W235 HydrophobicContact CG-CZ3 3.94Å; P232-Y412 WeakPolarHBondContact O-CE2 3.29Å; P232-Y412 PolarHBondContact O-OH 3.44Å
233	T	96.8	Very high	96	Very high	123 Å²	123	80.5 Å²	80.5	76%	0.755	42%	0.419	S	S	*	.	S	Bend	trans	-65.9	-26.8	179.1	52	0	0	0	0	112.6
234	S	98.4	Very high	96.4	Very high	69 Å²	69	78 Å²	78	48%	0.483	41%	0.41	S	S	.	.			trans	-141	150.7	175.6	58.1	0	0	0	0	110.4	P232 Y412	P232-S234 PolarHBondContact O-N 3.4Å; S234-Y412 CarbonylContact C-O 3.53Å; S234-Y412 WeakPolarHBondContact CA-O 3.31Å
235	W	98.8	Very high	96.7	Very high	52 Å²	52	77.1 Å²	77.1	20%	0.197	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	139.3	175.8	-166.9	-100.3	0	0	0	110.1	P232 W237 V240 V365 G411 Y412	P232-W235 HydrophobicContact CB-CE3 4.43Å; P232-W235 HydrophobicContact CG-CD2 4.37Å; P232-W235 HydrophobicContact CG-CE3 3.44Å; P232-W235 VanDerWaalsContact CG-CE3 3.44Å; P232-W235 HydrophobicContact CG-CZ3 3.94Å; W235-W237 AromaticContact CD1-CD1 3.78Å; W235-W237 AromaticContact CD1-NE1 3.64Å; W235-W237 AromaticContact CE2-CE2 3.99Å; W235-W237 AromaticContact CZ2-CH2 3.91Å; W235-W237 HydrophobicContact CZ2-CH2 3.91Å; W235-W237 AromaticContact CZ2-CZ2 3.87Å; W235-W237 HydrophobicContact CZ2-CZ2 3.87Å; W235-W237 HydrophobicContact CZ2-CZ3 4.32Å; W235-W237 AromaticContact NE1-CD1 3.53Å; W235-W237 AromaticContact NE1-CD2 3.56Å; W235-W237 AromaticContact NE1-CE2 3.11Å; W235-W237 AromaticContact NE1-CG 3.83Å; W235-W237 AromaticContact NE1-CZ2 3.56Å; W235-W237 AromaticContact NE1-NE1 3.08Å; W235-V240 HydrophobicContact CH2-CG1 4.25Å; W235-V240 HydrophobicContact CZ2-CG1 4.41Å; W235-V240 HydrophobicContact CZ2-CG2 4.18Å; W235-V365 HydrophobicContact CB-CG2 4.12Å; W235-V365 HydrophobicContact CD2-CG1 4.24Å; W235-V365 HydrophobicContact CD2-CG2 4.06Å; W235-V365 HydrophobicContact CE3-CG1 4.3Å; W235-V365 HydrophobicContact CG-CG2 3.87Å; W235-V365 HydrophobicContact CH2-CG1 4.27Å; W235-V365 HydrophobicContact CZ2-CG1 4.25Å; W235-V365 HydrophobicContact CZ3-CG1 4.29Å; W235-G411 CarbonylContact O-C 3.51Å; W235-G411 WeakPolarHBondContact O-CA 3.36Å; W235-Y412 HydrophobicContact CB-CD1 4.01Å; W235-Y412 HydrophobicContact CB-CE1 3.56Å; W235-Y412 HydrophobicContact CB-CE2 4.44Å; W235-Y412 HydrophobicContact CG-CE1 4.5Å; W235-Y412 PolarHBondContact N-O 3.28Å; W235-Y412 PolarHBondContact O-N 3.4Å; W235-Y412 VanDerWaalsContact O-O 3.12Å
236	D	98.8	Very high	97.1	Very high	35 Å²	35	72.2 Å²	72.2	19%	0.187	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	111.5	174	-170.9	-14	0	0	0	109.5	R238 N239 V240 I424	D236-R238 PolarHBondContact O-N 2.72Å; D236-R238 VanDerWaalsContact O-N 3.09Å; D236-R238 WeakPolarHBondContact OD1-CB 3.41Å; D236-R238 VanDerWaalsContact OD1-CG 3.23Å; D236-R238 WeakPolarHBondContact OD1-CG 3.36Å; D236-R238 IonicContact OD1-CZ 3.79Å; D236-R238 PolarHBondContact OD1-N 2.94Å; D236-R238 IonicContact OD1-NE 3.4Å; D236-R238 PolarHBondContact OD1-NE 3.2Å; D236-R238 IonicContact OD2-CZ 3.05Å; D236-R238 VanDerWaalsContact OD2-CZ 3.32Å; D236-R238 IonicContact OD2-NE 2.85Å; D236-R238 PolarHBondContact OD2-NE 3.33Å; D236-R238 IonicContact OD2-NH2 3.4Å; D236-R238 PolarHBondContact OD2-NH2 2.73Å; D236-N239 CarbonylContact O-C 3.14Å; D236-N239 PolarHBondContact O-N 2.79Å; D236-V240 WeakPolarHBondContact O-CG2 3.42Å; D236-V240 PolarHBondContact O-N 2.99Å; D236-I424 HydrophobicContact CB-CD1 4.05Å
237	W	98.9	Very high	97.4	Very high	17 Å²	17	67 Å²	67	6%	0.064	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-12.4	177.9	-79.3	110.2	0	0	0	113.8	W235 N239 V240 F245 V246 I273 L364 P369 V410	W235-W237 AromaticContact CD1-CD1 3.78Å; W235-W237 AromaticContact CD1-NE1 3.64Å; W235-W237 AromaticContact CE2-CE2 3.99Å; W235-W237 AromaticContact CZ2-CH2 3.91Å; W235-W237 HydrophobicContact CZ2-CH2 3.91Å; W235-W237 AromaticContact CZ2-CZ2 3.87Å; W235-W237 HydrophobicContact CZ2-CZ2 3.87Å; W235-W237 HydrophobicContact CZ2-CZ3 4.32Å; W235-W237 AromaticContact NE1-CD1 3.53Å; W235-W237 AromaticContact NE1-CD2 3.56Å; W235-W237 AromaticContact NE1-CE2 3.11Å; W235-W237 AromaticContact NE1-CG 3.83Å; W235-W237 AromaticContact NE1-CZ2 3.56Å; W235-W237 AromaticContact NE1-NE1 3.08Å; W237-N239 VanDerWaalsContact C-N 3.28Å; W237-V240 HydrophobicContact CD2-CG2 4.32Å; W237-V240 HydrophobicContact CE3-CG2 3.65Å; W237-V240 HydrophobicContact CZ3-CG2 4.01Å; W237-F245 HydrophobicContact CE3-CB 3.99Å; W237-F245 AromaticContact CE3-CD2 3.79Å; W237-F245 HydrophobicContact CE3-CD2 3.79Å; W237-F245 HydrophobicContact CE3-CG 4.05Å; W237-F245 HydrophobicContact CZ3-CD2 4.04Å; W237-F245 HydrophobicContact CZ3-CE2 4.44Å; W237-F245 HydrophobicContact CZ3-CG 4.32Å; W237-F245 PolarHBondContact O-N 3.18Å; W237-V246 HydrophobicContact CB-CG2 3.74Å; W237-I273 HydrophobicContact CD2-CD1 3.69Å; W237-I273 HydrophobicContact CD2-CG1 4.39Å; W237-I273 HydrophobicContact CE3-CD1 3.57Å; W237-I273 HydrophobicContact CE3-CG1 3.76Å; W237-I273 HydrophobicContact CG-CD1 4.48Å; W237-I273 HydrophobicContact CH2-CD1 3.7Å; W237-I273 HydrophobicContact CH2-CG1 3.95Å; W237-I273 HydrophobicContact CH2-CG2 3.91Å; W237-I273 HydrophobicContact CZ2-CD1 3.81Å; W237-I273 HydrophobicContact CZ3-CB 4.47Å; W237-I273 HydrophobicContact CZ3-CD1 3.59Å; W237-I273 HydrophobicContact CZ3-CG1 3.52Å; W237-I273 HydrophobicContact CZ3-CG2 4.14Å; W237-L364 PolarHBondContact NE1-O 2.8Å; W237-P369 HydrophobicContact CB-CG 4.06Å; W237-P369 HydrophobicContact CG-CG 3.92Å; W237-V410 WeakPolarHBondContact CB-O 3.36Å; W237-V410 VanDerWaalsContact CD1-O 3.3Å; W237-V410 PolarHBondContact N-O 2.65Å
238	R	98.8	Very high	97.6	Very high	76 Å²	76	65.3 Å²	65.3	29%	0.287	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-17.7	171.9	-53	172.8	-60.7	169.2	9.4	112.5	D236 N244 V246 Y438	D236-R238 PolarHBondContact O-N 2.72Å; D236-R238 VanDerWaalsContact O-N 3.09Å; D236-R238 WeakPolarHBondContact OD1-CB 3.41Å; D236-R238 VanDerWaalsContact OD1-CG 3.23Å; D236-R238 WeakPolarHBondContact OD1-CG 3.36Å; D236-R238 IonicContact OD1-CZ 3.79Å; D236-R238 PolarHBondContact OD1-N 2.94Å; D236-R238 IonicContact OD1-NE 3.4Å; D236-R238 PolarHBondContact OD1-NE 3.2Å; D236-R238 IonicContact OD2-CZ 3.05Å; D236-R238 VanDerWaalsContact OD2-CZ 3.32Å; D236-R238 IonicContact OD2-NE 2.85Å; D236-R238 PolarHBondContact OD2-NE 3.33Å; D236-R238 IonicContact OD2-NH2 3.4Å; D236-R238 PolarHBondContact OD2-NH2 2.73Å; R238-N244 WeakPolarHBondContact CA-OD1 3.27Å; R238-N244 WeakPolarHBondContact O-CA 3.48Å; R238-N244 WeakPolarHBondContact O-CB 3.22Å; R238-V246 HydrophobicContact CG-CB 4.11Å; R238-V246 HydrophobicContact CG-CG2 3.79Å; R238-Y438 VanDerWaalsContact CD-CE1 3.43Å; R238-Y438 HydrophobicContact CG-CE1 4.38Å; R238-Y438 VanDerWaalsContact NH1-CG 3.26Å
239	N	98.6	Very high	97.9	Very high	99 Å²	99	64.5 Å²	64.5	53%	0.529	36%	0.356	S	S	.	.			trans	-151.7	72.3	-177.2	-173.8	4.4	0	0	0	111.3	D236 W237 H241 G242	D236-N239 CarbonylContact O-C 3.14Å; D236-N239 PolarHBondContact O-N 2.79Å; W237-N239 VanDerWaalsContact C-N 3.28Å; N239-H241 PolarHBondContact O-N 2.86Å; N239-G242 WeakPolarHBondContact OD1-CA 3.24Å; N239-G242 PolarHBondContact OD1-N 3.24Å
240	V	98.6	Very high	98.2	Very high	24 Å²	24	61 Å²	61	15%	0.145	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-89.4	97	168.2	-176.5	0	0	0	0	107.3	W235 D236 W237 G242 I243 F245	W235-V240 HydrophobicContact CH2-CG1 4.25Å; W235-V240 HydrophobicContact CZ2-CG1 4.41Å; W235-V240 HydrophobicContact CZ2-CG2 4.18Å; D236-V240 WeakPolarHBondContact O-CG2 3.42Å; D236-V240 PolarHBondContact O-N 2.99Å; W237-V240 HydrophobicContact CD2-CG2 4.32Å; W237-V240 HydrophobicContact CE3-CG2 3.65Å; W237-V240 HydrophobicContact CZ3-CG2 4.01Å; V240-G242 VanDerWaalsContact C-N 3.3Å; V240-G242 PolarHBondContact O-N 3.1Å; V240-I243 PolarHBondContact N-O 3.16Å; V240-I243 WeakPolarHBondContact O-CB 3.11Å; V240-I243 PolarHBondContact O-N 3.08Å; V240-F245 HydrophobicContact CB-CD2 4.29Å; V240-F245 HydrophobicContact CB-CE2 4.03Å; V240-F245 HydrophobicContact CG2-CD2 4.17Å; V240-F245 HydrophobicContact CG2-CE2 4.35Å
241	H	97.4	Very high	98.4	Very high	178 Å²	178	57.4 Å²	57.4	82%	0.824	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	42.4	-177.5	-54.4	-64.6	0	0	0	114	N239	N239-H241 PolarHBondContact O-N 2.86Å
242	G	98.3	Very high	98.5	Very high	66 Å²	66	56.5 Å²	56.5	68%	0.68	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.8	-1.2	-178.9	0	0	0	0	0	114.8	N239 V240	N239-G242 WeakPolarHBondContact OD1-CA 3.24Å; N239-G242 PolarHBondContact OD1-N 3.24Å; V240-G242 VanDerWaalsContact C-N 3.3Å; V240-G242 PolarHBondContact O-N 3.1Å
243	I	98.8	Very high	98.4	Very high	78 Å²	78	56.3 Å²	56.3	40%	0.4	32%	0.317	S	S	.	.	B	Isolated β-bridge	trans	-107.4	128.1	-177	-53.9	174.3	0	0	0	110.1	V240 F245 N277	V240-I243 PolarHBondContact N-O 3.16Å; V240-I243 WeakPolarHBondContact O-CB 3.11Å; V240-I243 PolarHBondContact O-N 3.08Å; I243-F245 HydrophobicContact CB-CE2 3.9Å; I243-F245 HydrophobicContact CB-CZ 4.34Å; I243-F245 HydrophobicContact CG2-CD2 4.15Å; I243-F245 HydrophobicContact CG2-CE1 4.28Å; I243-F245 HydrophobicContact CG2-CE2 3.51Å; I243-F245 HydrophobicContact CG2-CZ 3.59Å; I243-N277 WeakPolarHBondContact CG2-ND2 3.08Å
244	N	98.8	Very high	98.3	Very high	73 Å²	73	52.3 Å²	52.3	39%	0.39	29%	0.294	S	S	.	.			trans	-92.7	131.2	174.1	175.6	29.4	0	0	0	110.8	R238 V246 N277	R238-N244 WeakPolarHBondContact CA-OD1 3.27Å; R238-N244 WeakPolarHBondContact O-CA 3.48Å; R238-N244 WeakPolarHBondContact O-CB 3.22Å; N244-V246 PolarHBondContact ND2-O 2.94Å; N244-V246 VanDerWaalsContact ND2-O 3.07Å; N244-V246 PolarHBondContact OD1-N 2.92Å; N244-V246 PolarHBondContact OD1-O 3.16Å; N244-N277 PolarHBondContact O-ND2 2.9Å; N244-N277 PolarHBondContact O-OD1 3.48Å
245	F	98.9	Very high	98.2	Very high	14 Å²	14	49.1 Å²	49.1	6%	0.061	27%	0.271	C	S	.	.			trans	-114.6	0.9	174.4	-67.4	-84.1	0	0	0	113.4	W237 V240 I243 A269 R272 I273 N277	W237-F245 HydrophobicContact CE3-CB 3.99Å; W237-F245 AromaticContact CE3-CD2 3.79Å; W237-F245 HydrophobicContact CE3-CD2 3.79Å; W237-F245 HydrophobicContact CE3-CG 4.05Å; W237-F245 HydrophobicContact CZ3-CD2 4.04Å; W237-F245 HydrophobicContact CZ3-CE2 4.44Å; W237-F245 HydrophobicContact CZ3-CG 4.32Å; W237-F245 PolarHBondContact O-N 3.18Å; V240-F245 HydrophobicContact CB-CD2 4.29Å; V240-F245 HydrophobicContact CB-CE2 4.03Å; V240-F245 HydrophobicContact CG2-CD2 4.17Å; V240-F245 HydrophobicContact CG2-CE2 4.35Å; I243-F245 HydrophobicContact CB-CE2 3.9Å; I243-F245 HydrophobicContact CB-CZ 4.34Å; I243-F245 HydrophobicContact CG2-CD2 4.15Å; I243-F245 HydrophobicContact CG2-CE1 4.28Å; I243-F245 HydrophobicContact CG2-CE2 3.51Å; I243-F245 HydrophobicContact CG2-CZ 3.59Å; F245-A269 VanDerWaalsContact O-CA 3.29Å; F245-A269 WeakPolarHBondContact O-CA 3.45Å; F245-A269 WeakPolarHBondContact O-CB 3.43Å; F245-R272 HydrophobicContact CB-CB 4.48Å; F245-R272 HydrophobicContact CD1-CB 4.16Å; F245-R272 WeakPolarHBondContact O-CD 3.37Å; F245-I273 HydrophobicContact CB-CG1 3.86Å; F245-I273 HydrophobicContact CD1-CG1 3.95Å; F245-I273 HydrophobicContact CG-CG1 3.98Å; F245-N277 WeakPolarHBondContact CD1-ND2 3.02Å; F245-N277 WeakPolarHBondContact CE1-ND2 3.37Å
246	V	98.9	Very high	98.1	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.006	26%	0.262	C	S	.	.	S	Bend	trans	-98.1	134.4	-178	-172.5	0	0	0	0	110.2	W237 R238 N244 R272 V410 K426	W237-V246 HydrophobicContact CB-CG2 3.74Å; R238-V246 HydrophobicContact CG-CB 4.11Å; R238-V246 HydrophobicContact CG-CG2 3.79Å; N244-V246 PolarHBondContact ND2-O 2.94Å; N244-V246 VanDerWaalsContact ND2-O 3.07Å; N244-V246 PolarHBondContact OD1-N 2.92Å; N244-V246 PolarHBondContact OD1-O 3.16Å; V246-R272 PolarHBondContact O-NH1 3.22Å; V246-V410 HydrophobicContact CG1-CG1 4.08Å; V246-V410 HydrophobicContact CG2-CB 4.21Å; V246-V410 HydrophobicContact CG2-CG1 3.97Å; V246-K426 HydrophobicContact CG1-CD 3.79Å
247	S	98.9	Very high	98	Very high	2 Å²	2	45 Å²	45	1%	0.014	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-65.6	162.1	174.3	63.8	0	0	0	0	112.2	E268 K426	S247-E268 WeakPolarHBondContact CB-OE2 3.47Å; S247-E268 PolarHBondContact OG-OE2 2.77Å; S247-K426 WeakPolarHBondContact O-CE 3.5Å; S247-K426 PolarHBondContact O-NZ 3.12Å; S247-K426 PolarHBondContact OG-NZ 2.83Å
248	P	98.9	Very high	98	Very high	85 Å²	85	44.4 Å²	44.4	55%	0.552	25%	0.252	S	S	*	.	P	Polyproline II helix	trans	-56.1	150.2	177.7	-25.7	35.7	0	0	0	113.3	K426	P248-K426 VanDerWaalsContact O-CE 3.31Å; P248-K426 WeakPolarHBondContact O-CE 3.26Å; P248-K426 PolarHBondContact O-NZ 2.82Å
249	V	98.9	Very high	98	Very high	21 Å²	21	40.9 Å²	40.9	13%	0.127	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-63.8	143.6	168.3	171.7	0	0	0	0	109.4	K426 T431 Y438	V249-K426 HydrophobicContact CG2-CG 4.04Å; V249-T431 HydrophobicContact CB-CG2 3.77Å; V249-T431 HydrophobicContact CG1-CG2 4.07Å; V249-Y438 HydrophobicContact CG2-CD2 4.04Å; V249-Y438 HydrophobicContact CG2-CE2 3.43Å; V249-Y438 VanDerWaalsContact CG2-CE2 3.43Å
250	R	98.8	Very high	98	Very high	57 Å²	57	36.1 Å²	36.1	22%	0.215	21%	0.213	C	C	.	.			trans	-127.8	174.9	177.5	-61.5	-172.3	66.8	-177.7	0.5	110.7	F261 E319 S428 G430	R250-F261 HydrophobicContact CB-CD1 3.93Å; R250-F261 HydrophobicContact CB-CE1 3.5Å; R250-F261 HydrophobicContact CG-CE1 4.33Å; R250-E319 IonicContact CZ-OE1 3.17Å; R250-E319 IonicContact CZ-OE2 2.68Å; R250-E319 IonicContact NH1-OE1 3.83Å; R250-E319 IonicContact NH1-OE2 3.32Å; R250-E319 PolarHBondContact NH1-OE2 2.79Å; R250-E319 IonicContact NH2-OE1 2.8Å; R250-E319 PolarHBondContact NH2-OE1 3.32Å; R250-E319 IonicContact NH2-OE2 3.99Å; R250-E319 PolarHBondContact NH2-OE2 3.21Å; R250-E319 VanDerWaalsContact NH2-OE2 3.1Å; R250-S428 CarbonylContact O-C 3.59Å; R250-S428 WeakPolarHBondContact O-CA 3.4Å; R250-G430 PolarHBondContact O-N 3.24Å
251	N	98.2	Very high	98	Very high	69 Å²	69	35.7 Å²	35.7	37%	0.369	21%	0.209	S	C	.	.	B	Isolated β-bridge	trans	-124.6	121.2	179.3	-165.6	-22.7	0	0	0	110.5	A253 S428 W429	N251-A253 PolarHBondContact O-N 3.13Å; N251-A253 PolarHBondContact OD1-N 2.89Å; N251-S428 CarbonylContact C-O 3.32Å; N251-S428 VanDerWaalsContact CA-O 3.31Å; N251-S428 WeakPolarHBondContact CA-O 3.42Å; N251-W429 PolarHBondContact ND2-O 3.28Å
252	Q	97.8	Very high	98.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	17%	0.171	C	C	.	.			trans	-79.3	-0.3	177	75.1	-177.5	79	0	0	113.7	R204 C255 F261 Y324 H405 S428	R204-Q252 PolarHBondContact O-NE2 3.02Å; Q252-C255 PolarHBondContact NE2-O 2.82Å; Q252-C255 PolarHBondContact O-N 3.18Å; Q252-F261 HydrophobicContact CB-CD2 3.68Å; Q252-F261 HydrophobicContact CB-CE2 3.52Å; Q252-F261 HydrophobicContact CB-CZ 4.25Å; Q252-Y324 WeakPolarHBondContact CA-OH 3.38Å; Q252-Y324 PolarHBondContact O-OH 3.08Å; Q252-H405 PolarHBondContact OE1-CE1 2.57Å; Q252-S428 PolarHBondContact N-O 2.86Å; Q252-S428 PolarHBondContact OE1-OG 2.85Å
253	A	96.6	Very high	98.1	Very high	44 Å²	44	24.2 Å²	24.2	36%	0.364	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	-139.2	-176.2	0	0	0	0	0	112	R204 N251	R204-A253 WeakPolarHBondContact CB-O 3.41Å; N251-A253 PolarHBondContact O-N 3.13Å; N251-A253 PolarHBondContact OD1-N 2.89Å
254	S	94.3	Very high	98.1	Very high	39 Å²	39	20.6 Å²	20.6	27%	0.273	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-9.9	177.5	54.5	0	0	0	0	114	D200	D200-S254 WeakPolarHBondContact OD1-CB 3.4Å
255	C	96.1	Very high	98.1	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.014	10%	0.103	C	C	.	.	S	Bend	trans	-72.8	133	-179.4	179.4	0	0	0	0	110.6	Q252 S257 C298 Y324 G326	Q252-C255 PolarHBondContact NE2-O 2.82Å; Q252-C255 PolarHBondContact O-N 3.18Å; C255-S257 PolarHBondContact O-N 3.03Å; C255-S257 VanDerWaalsContact SG-CB 3.54Å; C255-S257 PolarHBondContact SG-OG 2.83Å; C255-C298 HydrophobicContact CB-CB 3.97Å; C255-C298 WeakPolarHBondContact CB-SG 3.3Å; C255-C298 WeakPolarHBondContact SG-CA 3.44Å; C255-C298 WeakPolarHBondContact SG-CB 3.46Å; C255-C298 CovalentContact SG-SG 2.04Å; C255-C298 PolarHBondContact SG-SG 3.12Å; C255-Y324 WeakPolarHBondContact CB-OH 3.23Å; C255-G326 WeakPolarHBondContact CB-O 3.47Å
256	G	96.4	Very high	98.2	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.1	C	C	.	.	B	Isolated β-bridge	trans	-76.5	57.8	174.9	0	0	0	0	0	112	K203 Y259 C298 G300	K203-G256 WeakPolarHBondContact O-CA 3.39Å; G256-Y259 WeakPolarHBondContact O-CE1 3.32Å; G256-C298 WeakPolarHBondContact CA-O 3.25Å; G256-C298 PolarHBondContact N-O 2.92Å; G256-G300 WeakPolarHBondContact O-CA 3.4Å; G256-G300 PolarHBondContact O-N 2.04Å
257	S	98.1	Very high	98.2	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.101	C	C	.	.			trans	-111.2	19.9	-174.6	56.6	0	0	0	0	113.1	C255 Y259 S260 F261 Y324	C255-S257 PolarHBondContact O-N 3.03Å; C255-S257 VanDerWaalsContact SG-CB 3.54Å; C255-S257 PolarHBondContact SG-OG 2.83Å; S257-Y259 PolarHBondContact O-N 2.68Å; S257-S260 WeakPolarHBondContact O-CA 3.5Å; S257-S260 WeakPolarHBondContact O-CB 3.36Å; S257-S260 PolarHBondContact O-N 3.43Å; S257-F261 WeakPolarHBondContact O-CD2 3.32Å; S257-F261 PolarHBondContact O-N 3.39Å; S257-F261 VanDerWaalsContact O-N 3.13Å; S257-Y324 PolarHBondContact OG-OH 2.81Å
258	C	98.4	Very high	98.2	Very high	5 Å²	5	16.8 Å²	16.8	3%	0.034	10%	0.101	C	C	.	.	H	α-helix	trans	-48.6	-42	175.5	54.3	0	0	0	0	112.5	S260 F261 A262 H405 A406	C258-S260 VanDerWaalsContact C-N 3.26Å; C258-S260 PolarHBondContact O-N 2.95Å; C258-F261 PolarHBondContact O-N 3.38Å; C258-A262 WeakPolarHBondContact O-CB 3.48Å; C258-A262 PolarHBondContact O-N 2.85Å; C258-H405 WeakPolarHBondContact CB-CE1 3.33Å; C258-H405 WeakPolarHBondContact CB-ND1 3.2Å; C258-A406 HydrophobicContact CB-CB 4.34Å; C258-A406 WeakPolarHBondContact CB-O 3.16Å
259	Y	98.6	Very high	98.2	Very high	1 Å²	1	12.8 Å²	12.8	0%	0.004	8%	0.075	C	C	.	.	H	α-helix	trans	-58.1	-37.1	176.2	72.3	-87.1	0	0	0	113.2	G256 S257 S263 V288 A295 G297 G300 G301 I306	G256-Y259 WeakPolarHBondContact O-CE1 3.32Å; S257-Y259 PolarHBondContact O-N 2.68Å; Y259-S263 VanDerWaalsContact O-CB 3.27Å; Y259-S263 WeakPolarHBondContact O-CB 3.15Å; Y259-S263 PolarHBondContact O-N 2.04Å; Y259-S263 VanDerWaalsContact O-N 3.1Å; Y259-S263 PolarHBondContact O-OG 3.35Å; Y259-V288 HydrophobicContact CE2-CG1 3.8Å; Y259-A295 HydrophobicContact CD2-CB 4.37Å; Y259-A295 HydrophobicContact CE2-CB 3.5Å; Y259-G297 VanDerWaalsContact CE1-O 3.28Å; Y259-G297 WeakPolarHBondContact CE1-O 3.45Å; Y259-G297 PolarHBondContact OH-O 3.02Å; Y259-G300 VanDerWaalsContact CD1-C 3.49Å; Y259-G300 WeakPolarHBondContact CE1-O 3.33Å; Y259-G301 VanDerWaalsContact CB-C 3.44Å; Y259-G301 WeakPolarHBondContact CB-O 3.45Å; Y259-G301 VanDerWaalsContact CG-C 3.44Å; Y259-I306 HydrophobicContact CD2-CG1 3.66Å; Y259-I306 HydrophobicContact CE2-CD1 4.36Å; Y259-I306 HydrophobicContact CE2-CG1 3.78Å
260	S	98.8	Very high	98.2	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-73.3	-45.3	179.3	-170.1	0	0	0	0	110.2	S257 C258 S263 V264 P285 V288	S257-S260 WeakPolarHBondContact O-CA 3.5Å; S257-S260 WeakPolarHBondContact O-CB 3.36Å; S257-S260 PolarHBondContact O-N 3.43Å; C258-S260 VanDerWaalsContact C-N 3.26Å; C258-S260 PolarHBondContact O-N 2.95Å; S260-S263 WeakPolarHBondContact O-CB 3.28Å; S260-S263 PolarHBondContact O-N 2.79Å; S260-V264 WeakPolarHBondContact O-CG2 3.48Å; S260-V264 PolarHBondContact O-N 2.65Å; S260-P285 WeakPolarHBondContact OG-CA 3.16Å; S260-P285 WeakPolarHBondContact OG-CB 3.45Å; S260-P285 PolarHBondContact OG-O 2.72Å; S260-V288 WeakPolarHBondContact OG-CB 3.25Å
261	F	98.9	Very high	98.2	Very high	15 Å²	15	9.3 Å²	9.3	7%	0.066	6%	0.059	C	C	.	.	H	α-helix	trans	-63.1	-42.4	176	-81.5	-88.9	0	0	0	113.4	R250 Q252 S257 C258 S263 V264 G265 P285 Y324	R250-F261 HydrophobicContact CB-CD1 3.93Å; R250-F261 HydrophobicContact CB-CE1 3.5Å; R250-F261 HydrophobicContact CG-CE1 4.33Å; Q252-F261 HydrophobicContact CB-CD2 3.68Å; Q252-F261 HydrophobicContact CB-CE2 3.52Å; Q252-F261 HydrophobicContact CB-CZ 4.25Å; S257-F261 WeakPolarHBondContact O-CD2 3.32Å; S257-F261 PolarHBondContact O-N 3.39Å; S257-F261 VanDerWaalsContact O-N 3.13Å; C258-F261 PolarHBondContact O-N 3.38Å; F261-S263 VanDerWaalsContact C-N 3.33Å; F261-V264 WeakPolarHBondContact O-CG2 3.28Å; F261-G265 PolarHBondContact O-N 2.86Å; F261-P285 HydrophobicContact CD1-CG 4.36Å; F261-P285 HydrophobicContact CD2-CB 4.14Å; F261-P285 HydrophobicContact CD2-CG 4.41Å; F261-P285 HydrophobicContact CE1-CG 3.85Å; F261-P285 HydrophobicContact CE2-CB 4Å; F261-P285 HydrophobicContact CE2-CG 3.91Å; F261-P285 HydrophobicContact CG-CB 4.48Å; F261-P285 HydrophobicContact CZ-CB 4.21Å; F261-P285 HydrophobicContact CZ-CG 3.62Å; F261-Y324 HydrophobicContact CE2-CD1 4.48Å; F261-Y324 HydrophobicContact CE2-CD2 4.18Å; F261-Y324 AromaticContact CE2-CE1 3.94Å; F261-Y324 HydrophobicContact CE2-CE1 3.94Å; F261-Y324 AromaticContact CE2-CE2 3.59Å; F261-Y324 HydrophobicContact CE2-CE2 3.59Å; F261-Y324 AromaticContact CE2-CZ 3.44Å; F261-Y324 VanDerWaalsContact CE2-CZ 3.44Å; F261-Y324 AromaticContact CZ-CD1 3.93Å; F261-Y324 HydrophobicContact CZ-CD1 3.93Å; F261-Y324 HydrophobicContact CZ-CD2 4.07Å; F261-Y324 AromaticContact CZ-CE1 3.76Å; F261-Y324 HydrophobicContact CZ-CE1 3.76Å; F261-Y324 AromaticContact CZ-CE2 3.89Å; F261-Y324 HydrophobicContact CZ-CE2 3.89Å; F261-Y324 HydrophobicContact CZ-CG 4.07Å; F261-Y324 AromaticContact CZ-CZ 3.73Å
262	A	98.9	Very high	98.2	Very high	3 Å²	3	7.1 Å²	7.1	3%	0.025	5%	0.046	C	C	.	.	H	α-helix	trans	-60.8	-45.6	174.1	0	0	0	0	0	110.6	C258 G265 M266 P303 S371 A406	C258-A262 WeakPolarHBondContact O-CB 3.48Å; C258-A262 PolarHBondContact O-N 2.85Å; A262-G265 PolarHBondContact O-N 2.93Å; A262-M266 PolarHBondContact O-N 2.95Å; A262-P303 HydrophobicContact CB-CG 4.41Å; A262-S371 VanDerWaalsContact C-OG 3.27Å; A262-S371 PolarHBondContact O-OG 3.46Å; A262-S371 VanDerWaalsContact O-OG 3.08Å; A262-A406 HydrophobicContact CB-CB 4.05Å
263	S	98.9	Very high	98.3	Very high	0 Å²	0	9 Å²	9	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-60.7	-54	179.2	-62.9	0	0	0	0	112.9	Y259 S260 F261 G265 M266 L267 P303	Y259-S263 VanDerWaalsContact O-CB 3.27Å; Y259-S263 WeakPolarHBondContact O-CB 3.15Å; Y259-S263 PolarHBondContact O-N 2.04Å; Y259-S263 VanDerWaalsContact O-N 3.1Å; Y259-S263 PolarHBondContact O-OG 3.35Å; S260-S263 WeakPolarHBondContact O-CB 3.28Å; S260-S263 PolarHBondContact O-N 2.79Å; F261-S263 VanDerWaalsContact C-N 3.33Å; S263-G265 VanDerWaalsContact C-N 3.34Å; S263-G265 PolarHBondContact O-N 3.02Å; S263-M266 PolarHBondContact O-N 2.94Å; S263-L267 WeakPolarHBondContact O-CG 2.92Å; S263-L267 PolarHBondContact O-N 3.03Å; S263-P303 WeakPolarHBondContact OG-CA 3.42Å
264	V	98.9	Very high	98.4	Very high	2 Å²	2	11.7 Å²	11.7	1%	0.012	6%	0.063	C	C	.	.	H	α-helix	trans	-65.3	-39.6	179.5	-62.4	0	0	0	0	111.2	S260 F261 M266 L267 E268 L283 P285	S260-V264 WeakPolarHBondContact O-CG2 3.48Å; S260-V264 PolarHBondContact O-N 2.65Å; F261-V264 WeakPolarHBondContact O-CG2 3.28Å; V264-M266 VanDerWaalsContact C-N 3.31Å; V264-M266 PolarHBondContact O-N 2.88Å; V264-L267 PolarHBondContact O-N 3.29Å; V264-E268 VanDerWaalsContact O-CB 3.3Å; V264-E268 WeakPolarHBondContact O-CB 3.46Å; V264-E268 WeakPolarHBondContact O-CG 3.31Å; V264-E268 PolarHBondContact O-N 3.36Å; V264-L283 HydrophobicContact CB-CB 3.92Å; V264-L283 HydrophobicContact CG1-CB 3.84Å; V264-P285 HydrophobicContact CG2-CB 4.39Å
265	G	98.9	Very high	98.6	Very high	3 Å²	3	10.9 Å²	10.9	3%	0.031	6%	0.057	C	C	.	.	H	α-helix	trans	-61.2	-38.1	177.8	0	0	0	0	0	113.1	F261 A262 S263 A269	F261-G265 PolarHBondContact O-N 2.86Å; A262-G265 PolarHBondContact O-N 2.93Å; S263-G265 VanDerWaalsContact C-N 3.34Å; S263-G265 PolarHBondContact O-N 3.02Å; G265-A269 WeakPolarHBondContact O-CB 3.42Å; G265-A269 PolarHBondContact O-N 3.38Å; G265-A269 VanDerWaalsContact O-N 3.14Å
266	M	98.9	Very high	98.7	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-63	-51.7	174.5	174.6	169.7	65.2	0	0	111	A262 S263 V264 A269 R270 A307 P369 L408 V455 A457	A262-M266 PolarHBondContact O-N 2.95Å; S263-M266 PolarHBondContact O-N 2.94Å; V264-M266 VanDerWaalsContact C-N 3.31Å; V264-M266 PolarHBondContact O-N 2.88Å; M266-A269 PolarHBondContact O-N 3.3Å; M266-R270 HydrophobicContact CG-CG 4.48Å; M266-R270 WeakPolarHBondContact O-CB 3.36Å; M266-R270 VanDerWaalsContact O-CG 3.28Å; M266-R270 WeakPolarHBondContact O-CG 3.47Å; M266-R270 PolarHBondContact O-N 3.4Å; M266-A307 HydrophobicContact CE-CB 3.21Å; M266-P369 WeakPolarHBondContact CG-O 3.39Å; M266-L408 VanDerWaalsContact CA-CD1 3.45Å; M266-L408 HydrophobicContact CB-CD1 3.6Å; M266-V455 HydrophobicContact CE-CG1 4.5Å; M266-A457 HydrophobicContact CE-CB 3.74Å
267	L	98.9	Very high	98.8	Very high	4 Å²	4	18.5 Å²	18.5	2%	0.021	10%	0.097	C	C	.	.	H	α-helix	trans	-68.1	-39.9	-176.8	-60.7	178.1	0	0	0	111.9	S263 V264 A269 R270 I271 L283 A307 A311 L316 A457 P459	S263-L267 WeakPolarHBondContact O-CG 2.92Å; S263-L267 PolarHBondContact O-N 3.03Å; V264-L267 PolarHBondContact O-N 3.29Å; L267-A269 PolarHBondContact O-N 3.14Å; L267-R270 PolarHBondContact O-N 3.26Å; L267-I271 WeakPolarHBondContact O-CB 3.46Å; L267-I271 VanDerWaalsContact O-CG1 3.23Å; L267-I271 WeakPolarHBondContact O-CG1 3.46Å; L267-I271 PolarHBondContact O-N 3.47Å; L267-L283 HydrophobicContact CB-CD1 3.89Å; L267-L283 HydrophobicContact CD1-CD1 4.47Å; L267-A307 HydrophobicContact CD1-CB 4.32Å; L267-A307 HydrophobicContact CG-CB 4.34Å; L267-A311 HydrophobicContact CD1-CB 4.11Å; L267-L316 HydrophobicContact CD1-CD1 3.38Å; L267-A457 HydrophobicContact CD2-CB 3.96Å; L267-P459 HydrophobicContact CB-CB 4.31Å; L267-P459 HydrophobicContact CD2-CB 3.99Å; L267-P459 HydrophobicContact CD2-CG 4.21Å
268	E	98.9	Very high	98.8	Very high	3 Å²	3	23.1 Å²	23.1	1%	0.014	13%	0.13	C	C	.	.	H	α-helix	trans	-57.8	-47.8	174.5	-72.9	167.8	174.3	0	0	111.8	S247 V264 R272 I282 L283	S247-E268 WeakPolarHBondContact CB-OE2 3.47Å; S247-E268 PolarHBondContact OG-OE2 2.77Å; V264-E268 VanDerWaalsContact O-CB 3.3Å; V264-E268 WeakPolarHBondContact O-CB 3.46Å; V264-E268 WeakPolarHBondContact O-CG 3.31Å; V264-E268 PolarHBondContact O-N 3.36Å; E268-R272 WeakPolarHBondContact O-CG 3.48Å; E268-R272 PolarHBondContact O-N 3.22Å; E268-R272 VanDerWaalsContact O-N 3.16Å; E268-I282 WeakPolarHBondContact OE1-CA 3.26Å; E268-L283 HydrophobicContact CG-CB 4.39Å; E268-L283 HydrophobicContact CG-CD1 4.26Å; E268-L283 HydrophobicContact CG-CG 3.96Å; E268-L283 PolarHBondContact OE1-N 2.88Å
269	A	98.9	Very high	98.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-67.9	-41.1	179.2	0	0	0	0	0	111.6	F245 G265 M266 L267 I271 R272 I273 P369	F245-A269 VanDerWaalsContact O-CA 3.29Å; F245-A269 WeakPolarHBondContact O-CA 3.45Å; F245-A269 WeakPolarHBondContact O-CB 3.43Å; G265-A269 WeakPolarHBondContact O-CB 3.42Å; G265-A269 PolarHBondContact O-N 3.38Å; G265-A269 VanDerWaalsContact O-N 3.14Å; M266-A269 PolarHBondContact O-N 3.3Å; L267-A269 PolarHBondContact O-N 3.14Å; A269-I271 PolarHBondContact O-N 3.19Å; A269-R272 WeakPolarHBondContact O-CB 3.1Å; A269-R272 PolarHBondContact O-N 3.48Å; A269-I273 VanDerWaalsContact O-CG1 3.26Å; A269-I273 WeakPolarHBondContact O-CG1 3.45Å; A269-I273 PolarHBondContact O-N 3.18Å; A269-P369 HydrophobicContact CB-CB 4.24Å; A269-P369 HydrophobicContact CB-CG 3.68Å
270	R	98.9	Very high	98.9	Very high	5 Å²	5	28.4 Å²	28.4	2%	0.019	16%	0.159	C	C	.	.	H	α-helix	trans	-66.7	-35.5	177.5	-71.8	-178.5	173	-127.6	-12.2	112.6	M266 L267 R272 I273 L274 E363 H367 G368 P369 A457 P459	M266-R270 HydrophobicContact CG-CG 4.48Å; M266-R270 WeakPolarHBondContact O-CB 3.36Å; M266-R270 VanDerWaalsContact O-CG 3.28Å; M266-R270 WeakPolarHBondContact O-CG 3.47Å; M266-R270 PolarHBondContact O-N 3.4Å; L267-R270 PolarHBondContact O-N 3.26Å; R270-R272 VanDerWaalsContact C-N 3.35Å; R270-I273 PolarHBondContact O-N 3.38Å; R270-L274 WeakPolarHBondContact O-CB 3.46Å; R270-L274 VanDerWaalsContact O-CG 3.26Å; R270-L274 WeakPolarHBondContact O-CG 3.19Å; R270-L274 PolarHBondContact O-N 2.99Å; R270-E363 IonicContact CZ-OE1 2.94Å; R270-E363 IonicContact NH1-OE1 3.95Å; R270-E363 PolarHBondContact NH1-OE1 3.21Å; R270-E363 IonicContact NH2-OE1 2.76Å; R270-E363 PolarHBondContact NH2-OE1 2.54Å; R270-H367 WeakPolarHBondContact CG-O 3.47Å; R270-H367 PolarHBondContact NE-O 2.75Å; R270-G368 PolarHBondContact NH2-O 3.42Å; R270-P369 PolarHBondContact NE-O 2.96Å; R270-P369 PolarHBondContact NH2-O 3.06Å; R270-A457 WeakPolarHBondContact CD-O 3.32Å; R270-A457 PolarHBondContact NH1-O 3.48Å; R270-P459 HydrophobicContact CB-CG 3.63Å
271	I	98.9	Very high	98.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60.4	-46	170.5	-71.5	164	0	0	0	110.3	L267 A269 I273 L274 T275 Q279 P281 Y340 P459 P461	L267-I271 WeakPolarHBondContact O-CB 3.46Å; L267-I271 VanDerWaalsContact O-CG1 3.23Å; L267-I271 WeakPolarHBondContact O-CG1 3.46Å; L267-I271 PolarHBondContact O-N 3.47Å; A269-I271 PolarHBondContact O-N 3.19Å; I271-I273 VanDerWaalsContact C-N 3.3Å; I271-I273 PolarHBondContact O-N 3.26Å; I271-L274 PolarHBondContact O-N 3.48Å; I271-T275 HydrophobicContact CG2-CG2 4.36Å; I271-T275 WeakPolarHBondContact O-CB 3.41Å; I271-T275 VanDerWaalsContact O-CG2 3.29Å; I271-T275 WeakPolarHBondContact O-CG2 3.26Å; I271-T275 PolarHBondContact O-N 3.17Å; I271-T275 PolarHBondContact O-OG1 3.31Å; I271-Q279 HydrophobicContact CG2-CB 3.88Å; I271-P281 HydrophobicContact CB-CG 4.46Å; I271-P281 HydrophobicContact CD1-CG 3.83Å; I271-P281 HydrophobicContact CG2-CG 3.93Å; I271-Y340 HydrophobicContact CD1-CD1 3.68Å; I271-Y340 HydrophobicContact CD1-CE1 4Å; I271-Y340 HydrophobicContact CD1-CG 4.31Å; I271-P459 HydrophobicContact CD1-CB 4.11Å; I271-P459 HydrophobicContact CG1-CB 3.65Å; I271-P459 HydrophobicContact CG1-CG 3.68Å; I271-P461 HydrophobicContact CG2-CB 4.4Å
272	R	98.9	Very high	98.8	Very high	24 Å²	24	30.6 Å²	30.6	9%	0.091	17%	0.172	C	C	.	.	H	α-helix	trans	-60.4	-40.7	176.8	-71.1	172.7	-173	-142.5	2.4	111.9	F245 V246 E268 A269 R270 N276 N277 Q279 T280	F245-R272 HydrophobicContact CB-CB 4.48Å; F245-R272 HydrophobicContact CD1-CB 4.16Å; F245-R272 WeakPolarHBondContact O-CD 3.37Å; V246-R272 PolarHBondContact O-NH1 3.22Å; E268-R272 WeakPolarHBondContact O-CG 3.48Å; E268-R272 PolarHBondContact O-N 3.22Å; E268-R272 VanDerWaalsContact O-N 3.16Å; A269-R272 WeakPolarHBondContact O-CB 3.1Å; A269-R272 PolarHBondContact O-N 3.48Å; R270-R272 VanDerWaalsContact C-N 3.35Å; R272-N276 CarbonylContact O-C 3.56Å; R272-N276 WeakPolarHBondContact O-CA 3.43Å; R272-N276 PolarHBondContact O-N 3.18Å; R272-N277 WeakPolarHBondContact CB-OD1 3.44Å; R272-N277 PolarHBondContact O-N 2.8Å; R272-Q279 WeakPolarHBondContact CG-O 3.42Å; R272-T280 HydrophobicContact CG-CG2 4.13Å
273	I	98.9	Very high	98.8	Very high	39 Å²	39	30.4 Å²	30.4	20%	0.2	17%	0.171	C	C	.	.	H	α-helix	trans	-64.7	-52.5	177.3	-66.8	164.1	0	0	0	110.6	W237 F245 A269 R270 I271 T275 N276 G368	W237-I273 HydrophobicContact CD2-CD1 3.69Å; W237-I273 HydrophobicContact CD2-CG1 4.39Å; W237-I273 HydrophobicContact CE3-CD1 3.57Å; W237-I273 HydrophobicContact CE3-CG1 3.76Å; W237-I273 HydrophobicContact CG-CD1 4.48Å; W237-I273 HydrophobicContact CH2-CD1 3.7Å; W237-I273 HydrophobicContact CH2-CG1 3.95Å; W237-I273 HydrophobicContact CH2-CG2 3.91Å; W237-I273 HydrophobicContact CZ2-CD1 3.81Å; W237-I273 HydrophobicContact CZ3-CB 4.47Å; W237-I273 HydrophobicContact CZ3-CD1 3.59Å; W237-I273 HydrophobicContact CZ3-CG1 3.52Å; W237-I273 HydrophobicContact CZ3-CG2 4.14Å; F245-I273 HydrophobicContact CB-CG1 3.86Å; F245-I273 HydrophobicContact CD1-CG1 3.95Å; F245-I273 HydrophobicContact CG-CG1 3.98Å; A269-I273 VanDerWaalsContact O-CG1 3.26Å; A269-I273 WeakPolarHBondContact O-CG1 3.45Å; A269-I273 PolarHBondContact O-N 3.18Å; R270-I273 PolarHBondContact O-N 3.38Å; I271-I273 VanDerWaalsContact C-N 3.3Å; I271-I273 PolarHBondContact O-N 3.26Å; I273-T275 PolarHBondContact O-N 3Å; I273-N276 PolarHBondContact O-N 3.41Å; I273-G368 VanDerWaalsContact CD1-CA 3.48Å
274	L	98.8	Very high	98.8	Very high	100 Å²	100	30.4 Å²	30.4	52%	0.524	17%	0.171	S	C	.	.	H	α-helix	trans	-60.3	-33.5	-178.6	-72.4	170	0	0	0	112.9	R270 I271 P459 P461	R270-L274 WeakPolarHBondContact O-CB 3.46Å; R270-L274 VanDerWaalsContact O-CG 3.26Å; R270-L274 WeakPolarHBondContact O-CG 3.19Å; R270-L274 PolarHBondContact O-N 2.99Å; I271-L274 PolarHBondContact O-N 3.48Å; L274-P459 HydrophobicContact CD1-CG 4.12Å; L274-P459 WeakPolarHBondContact CD1-O 3.28Å; L274-P461 HydrophobicContact CB-CG 4.03Å; L274-P461 HydrophobicContact CD1-CG 4.06Å
275	T	98.8	Very high	98.8	Very high	22 Å²	22	30.3 Å²	30.3	14%	0.135	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	6.1	-175.8	66.9	0	0	0	0	113.2	I271 I273 N277 S278 Q279 P461	I271-T275 HydrophobicContact CG2-CG2 4.36Å; I271-T275 WeakPolarHBondContact O-CB 3.41Å; I271-T275 VanDerWaalsContact O-CG2 3.29Å; I271-T275 WeakPolarHBondContact O-CG2 3.26Å; I271-T275 PolarHBondContact O-N 3.17Å; I271-T275 PolarHBondContact O-OG1 3.31Å; I273-T275 PolarHBondContact O-N 3Å; T275-N277 VanDerWaalsContact C-N 3.31Å; T275-N277 PolarHBondContact O-N 3.33Å; T275-S278 WeakPolarHBondContact CB-OG 3.49Å; T275-S278 WeakPolarHBondContact O-CB 3.49Å; T275-S278 PolarHBondContact O-N 2.99Å; T275-S278 PolarHBondContact O-OG 2.9Å; T275-Q279 HydrophobicContact CG2-CB 4.13Å; T275-Q279 HydrophobicContact CG2-CG 4.12Å; T275-Q279 PolarHBondContact OG1-N 3.22Å; T275-P461 HydrophobicContact CG2-CB 3.45Å; T275-P461 VanDerWaalsContact CG2-CB 3.45Å; T275-P461 HydrophobicContact CG2-CG 3.62Å
276	N	98.6	Very high	98.8	Very high	116 Å²	116	30.2 Å²	30.2	62%	0.62	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	45.8	52.5	-172.7	-169.5	32.6	0	0	0	113	R272 I273 S278	R272-N276 CarbonylContact O-C 3.56Å; R272-N276 WeakPolarHBondContact O-CA 3.43Å; R272-N276 PolarHBondContact O-N 3.18Å; I273-N276 PolarHBondContact O-N 3.41Å; N276-S278 PolarHBondContact O-N 3.1Å; N276-S278 VanDerWaalsContact O-N 3.08Å
277	N	98.8	Very high	98.8	Very high	46 Å²	46	30.3 Å²	30.3	25%	0.246	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	7.2	-177	-76.3	-49.5	0	0	0	116.3	I243 N244 F245 R272 T275 Q279	I243-N277 WeakPolarHBondContact CG2-ND2 3.08Å; N244-N277 PolarHBondContact O-ND2 2.9Å; N244-N277 PolarHBondContact O-OD1 3.48Å; F245-N277 WeakPolarHBondContact CD1-ND2 3.02Å; F245-N277 WeakPolarHBondContact CE1-ND2 3.37Å; R272-N277 WeakPolarHBondContact CB-OD1 3.44Å; R272-N277 PolarHBondContact O-N 2.8Å; T275-N277 VanDerWaalsContact C-N 3.31Å; T275-N277 PolarHBondContact O-N 3.33Å; N277-Q279 PolarHBondContact O-N 3.04Å
278	S	98.7	Very high	98.8	Very high	98 Å²	98	30.1 Å²	30.1	69%	0.685	17%	0.168	S	C	*	.	S	Bend	trans	-67.2	-22.5	172.9	62.8	0	0	0	0	112.9	T275 N276	T275-S278 WeakPolarHBondContact CB-OG 3.49Å; T275-S278 WeakPolarHBondContact O-CB 3.49Å; T275-S278 PolarHBondContact O-N 2.99Å; T275-S278 PolarHBondContact O-OG 2.9Å; N276-S278 PolarHBondContact O-N 3.1Å; N276-S278 VanDerWaalsContact O-N 3.08Å
279	Q	98.8	Very high	98.8	Very high	37 Å²	37	30.3 Å²	30.3	17%	0.173	17%	0.17	C	C	.	.			trans	-121.3	127.2	169.2	-60.8	179	36.1	0	0	110.3	I271 R272 T275 N277 P281 K462	I271-Q279 HydrophobicContact CG2-CB 3.88Å; R272-Q279 WeakPolarHBondContact CG-O 3.42Å; T275-Q279 HydrophobicContact CG2-CB 4.13Å; T275-Q279 HydrophobicContact CG2-CG 4.12Å; T275-Q279 PolarHBondContact OG1-N 3.22Å; N277-Q279 PolarHBondContact O-N 3.04Å; Q279-P281 VanDerWaalsContact C-CD 3.43Å; Q279-K462 PolarHBondContact NE2-O 2.85Å
280	T	98.8	Very high	98.8	Very high	79 Å²	79	31.4 Å²	31.4	49%	0.485	18%	0.177	S	C	.	.			trans	-129.4	52.5	179.5	61.9	0	0	0	0	112	R272	R272-T280 HydrophobicContact CG-CG2 4.13Å
281	P	98.7	Very high	98.8	Very high	10 Å²	10	32.4 Å²	32.4	7%	0.065	19%	0.185	C	C	.	.			trans	-62.8	154.5	-179	29.4	-35	0	0	0	111.1	I271 Q279 L283 E318 Y340	I271-P281 HydrophobicContact CB-CG 4.46Å; I271-P281 HydrophobicContact CD1-CG 3.83Å; I271-P281 HydrophobicContact CG2-CG 3.93Å; Q279-P281 VanDerWaalsContact C-CD 3.43Å; P281-L283 HydrophobicContact CB-CD2 4.42Å; P281-E318 HydrophobicContact CB-CG 4.43Å; P281-Y340 HydrophobicContact CB-CE2 4.21Å; P281-Y340 WeakPolarHBondContact CB-OH 3.43Å; P281-Y340 HydrophobicContact CG-CE1 4.13Å
282	I	98.9	Very high	98.7	Very high	51 Å²	51	32.9 Å²	32.9	26%	0.262	19%	0.188	S	C	.	.			trans	-112.5	118.7	163.7	-54.8	-61	0	0	0	105.8	E268 E318 E319	E268-I282 WeakPolarHBondContact OE1-CA 3.26Å; I282-E318 CarbonylContact O-C 3.59Å; I282-E318 VanDerWaalsContact O-CA 3.26Å; I282-E318 WeakPolarHBondContact O-CA 3.42Å; I282-E318 WeakPolarHBondContact O-CB 3.43Å; I282-E319 HydrophobicContact CB-CB 4.26Å; I282-E319 HydrophobicContact CG2-CB 3.88Å; I282-E319 HydrophobicContact CG2-CG 4.44Å; I282-E319 PolarHBondContact O-N 3.47Å
283	L	98.9	Very high	98.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-87.6	155.4	-178.1	-55	175.9	0	0	0	110	V264 L267 E268 P281 P285 L316 V317 Y340	V264-L283 HydrophobicContact CB-CB 3.92Å; V264-L283 HydrophobicContact CG1-CB 3.84Å; L267-L283 HydrophobicContact CB-CD1 3.89Å; L267-L283 HydrophobicContact CD1-CD1 4.47Å; E268-L283 HydrophobicContact CG-CB 4.39Å; E268-L283 HydrophobicContact CG-CD1 4.26Å; E268-L283 HydrophobicContact CG-CG 3.96Å; E268-L283 PolarHBondContact OE1-N 2.88Å; P281-L283 HydrophobicContact CB-CD2 4.42Å; L283-P285 WeakPolarHBondContact O-CD 3.35Å; L283-L316 HydrophobicContact CD1-CB 4.48Å; L283-L316 HydrophobicContact CD1-CD1 4.13Å; L283-V317 CarbonylContact C-O 3.57Å; L283-V317 WeakPolarHBondContact CA-O 3.18Å; L283-Y340 HydrophobicContact CD2-CD2 3.41Å; L283-Y340 VanDerWaalsContact CD2-CD2 3.41Å; L283-Y340 HydrophobicContact CD2-CE2 3.79Å; L283-Y340 HydrophobicContact CD2-CG 4Å
284	S	98.9	Very high	98.6	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.193	C	C	.	.			trans	-87.2	110.1	-177.2	176	0	0	0	0	111.3	Q286 E287 V317 F322	S284-Q286 PolarHBondContact O-N 3.27Å; S284-Q286 PolarHBondContact OG-N 3.33Å; S284-E287 PolarHBondContact OG-N 3.16Å; S284-V317 PolarHBondContact N-O 2.83Å; S284-F322 WeakPolarHBondContact CB-O 3.2Å; S284-F322 PolarHBondContact OG-O 2.96Å
285	P	98.8	Very high	98.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-70.6	-21.4	167.7	28.3	-32.2	0	0	0	112.2	S260 F261 V264 L283 V288 V289 E319 Y324	S260-P285 WeakPolarHBondContact OG-CA 3.16Å; S260-P285 WeakPolarHBondContact OG-CB 3.45Å; S260-P285 PolarHBondContact OG-O 2.72Å; F261-P285 HydrophobicContact CD1-CG 4.36Å; F261-P285 HydrophobicContact CD2-CB 4.14Å; F261-P285 HydrophobicContact CD2-CG 4.41Å; F261-P285 HydrophobicContact CE1-CG 3.85Å; F261-P285 HydrophobicContact CE2-CB 4Å; F261-P285 HydrophobicContact CE2-CG 3.91Å; F261-P285 HydrophobicContact CG-CB 4.48Å; F261-P285 HydrophobicContact CZ-CB 4.21Å; F261-P285 HydrophobicContact CZ-CG 3.62Å; V264-P285 HydrophobicContact CG2-CB 4.39Å; L283-P285 WeakPolarHBondContact O-CD 3.35Å; P285-V288 PolarHBondContact O-N 2.91Å; P285-V289 WeakPolarHBondContact O-CG2 3.12Å; P285-V289 PolarHBondContact O-N 3.28Å; P285-V289 VanDerWaalsContact O-N 3.13Å; P285-E319 WeakPolarHBondContact CD-OE2 3.31Å; P285-Y324 HydrophobicContact CB-CD2 4.34Å; P285-Y324 HydrophobicContact CG-CD2 3.74Å; P285-Y324 HydrophobicContact CG-CE2 4.29Å; P285-Y324 HydrophobicContact CG-CG 4.28Å
286	Q	98.8	Very high	98.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-70.2	-38.2	-179.1	-167	56.4	57.3	0	0	112.3	S284 V288 V289 S290 F322 P323 Y324 T325 T327 S329	S284-Q286 PolarHBondContact O-N 3.27Å; S284-Q286 PolarHBondContact OG-N 3.33Å; Q286-V288 VanDerWaalsContact C-N 3.27Å; Q286-V288 PolarHBondContact O-N 2.91Å; Q286-V289 PolarHBondContact O-N 3.5Å; Q286-S290 PolarHBondContact NE2-OG 3.21Å; Q286-S290 WeakPolarHBondContact O-CB 3.34Å; Q286-S290 PolarHBondContact O-N 3Å; Q286-S290 PolarHBondContact O-OG 2.91Å; Q286-F322 HydrophobicContact CB-CD1 3.99Å; Q286-F322 HydrophobicContact CB-CE1 4.32Å; Q286-F322 HydrophobicContact CB-CG 4.31Å; Q286-F322 HydrophobicContact CG-CD1 3.57Å; Q286-F322 HydrophobicContact CG-CE1 3.42Å; Q286-F322 VanDerWaalsContact CG-CE1 3.42Å; Q286-F322 HydrophobicContact CG-CG 4.27Å; Q286-F322 HydrophobicContact CG-CZ 4.01Å; Q286-P323 WeakPolarHBondContact CG-O 3.38Å; Q286-Y324 HydrophobicContact CB-CD2 4.03Å; Q286-Y324 VanDerWaalsContact OE1-CD2 3.27Å; Q286-T325 VanDerWaalsContact CD-OG1 3.31Å; Q286-T325 PolarHBondContact OE1-OG1 3.05Å; Q286-T325 VanDerWaalsContact OE1-OG1 3.08Å; Q286-T327 PolarHBondContact NE2-O 2.98Å; Q286-S329 PolarHBondContact NE2-OG 2.73Å
287	E	98.8	Very high	98.3	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.009	15%	0.148	C	C	.	.	H	α-helix	trans	-61	-41.6	177.4	-174.1	-87.9	167.4	0	0	110.8	S284 S290 C291 Y310 V317 F322 M333 R339	S284-E287 PolarHBondContact OG-N 3.16Å; E287-S290 PolarHBondContact O-N 2.98Å; E287-C291 WeakPolarHBondContact O-CA 3.41Å; E287-C291 WeakPolarHBondContact O-CB 3.34Å; E287-C291 PolarHBondContact O-N 3.31Å; E287-C291 PolarHBondContact O-SG 3.07Å; E287-C291 VanDerWaalsContact O-SG 3.39Å; E287-Y310 PolarHBondContact OE1-OH 2.78Å; E287-Y310 WeakPolarHBondContact OE2-CE1 3.34Å; E287-V317 HydrophobicContact CB-CG2 3.65Å; E287-V317 HydrophobicContact CG-CG2 3.71Å; E287-F322 HydrophobicContact CB-CB 4.16Å; E287-F322 HydrophobicContact CB-CD2 3.76Å; E287-F322 HydrophobicContact CB-CG 4.3Å; E287-F322 HydrophobicContact CG-CD2 4.09Å; E287-M333 HydrophobicContact CG-CE 3.34Å; E287-M333 HydrophobicContact CG-SD 4Å; E287-R339 IonicContact OE1-CZ 3.34Å; E287-R339 IonicContact OE1-NH1 3.41Å; E287-R339 IonicContact OE1-NH2 2.73Å; E287-R339 PolarHBondContact OE1-NH2 3.25Å; E287-R339 IonicContact OE2-NH2 3.95Å
288	V	98.8	Very high	98.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.1	-50.7	172	177.9	0	0	0	0	111.1	Y259 S260 P285 Q286 S290 S292 I306 Y310 L316	Y259-V288 HydrophobicContact CE2-CG1 3.8Å; S260-V288 WeakPolarHBondContact OG-CB 3.25Å; P285-V288 PolarHBondContact O-N 2.91Å; Q286-V288 VanDerWaalsContact C-N 3.27Å; Q286-V288 PolarHBondContact O-N 2.91Å; V288-S290 VanDerWaalsContact C-N 3.29Å; V288-S290 PolarHBondContact O-N 3.07Å; V288-S292 WeakPolarHBondContact O-CB 3.34Å; V288-S292 PolarHBondContact O-N 2.87Å; V288-I306 HydrophobicContact CB-CG2 4.35Å; V288-I306 HydrophobicContact CG1-CB 4.39Å; V288-I306 HydrophobicContact CG1-CD1 3.62Å; V288-I306 HydrophobicContact CG1-CG1 3.82Å; V288-I306 HydrophobicContact CG1-CG2 3.62Å; V288-I306 HydrophobicContact CG2-CG2 3.79Å; V288-Y310 HydrophobicContact CG2-CD1 4.39Å; V288-Y310 HydrophobicContact CG2-CE1 4.32Å; V288-L316 HydrophobicContact CG2-CD2 3.57Å
289	V	98.6	Very high	97.9	Very high	8 Å²	8	21.1 Å²	21.1	5%	0.048	12%	0.116	C	C	.	.	H	α-helix	trans	-57.8	-42.6	-178.2	165.9	0	0	0	0	111.5	P285 Q286 G297	P285-V289 WeakPolarHBondContact O-CG2 3.12Å; P285-V289 PolarHBondContact O-N 3.28Å; P285-V289 VanDerWaalsContact O-N 3.13Å; Q286-V289 PolarHBondContact O-N 3.5Å; V289-G297 VanDerWaalsContact O-CA 3.22Å; V289-G297 WeakPolarHBondContact O-CA 3.25Å
290	S	98.5	Very high	97.7	Very high	23 Å²	23	19.4 Å²	19.4	16%	0.161	11%	0.109	C	C	.	.	H	α-helix	trans	-88	-26.5	-173.4	-73.3	0	0	0	0	114.2	Q286 E287 V288 S329 C331	Q286-S290 PolarHBondContact NE2-OG 3.21Å; Q286-S290 WeakPolarHBondContact O-CB 3.34Å; Q286-S290 PolarHBondContact O-N 3Å; Q286-S290 PolarHBondContact O-OG 2.91Å; E287-S290 PolarHBondContact O-N 2.98Å; V288-S290 VanDerWaalsContact C-N 3.29Å; V288-S290 PolarHBondContact O-N 3.07Å; S290-S329 WeakPolarHBondContact CB-O 3.45Å; S290-S329 PolarHBondContact OG-O 3.4Å; S290-S329 PolarHBondContact OG-OG 2.67Å; S290-C331 WeakPolarHBondContact O-CB 3.33Å
291	C	98.3	Very high	97.5	Very high	26 Å²	26	16.1 Å²	16.1	18%	0.176	9%	0.09	C	C	.	.	H	α-helix	trans	-118.8	-26.6	-167.5	-54.2	0	0	0	0	114.7	E287 Q293 C331	E287-C291 WeakPolarHBondContact O-CA 3.41Å; E287-C291 WeakPolarHBondContact O-CB 3.34Å; E287-C291 PolarHBondContact O-N 3.31Å; E287-C291 PolarHBondContact O-SG 3.07Å; E287-C291 VanDerWaalsContact O-SG 3.39Å; C291-Q293 PolarHBondContact O-N 2.96Å; C291-C331 HydrophobicContact CB-CB 3.94Å; C291-C331 WeakPolarHBondContact CB-SG 3.33Å; C291-C331 WeakPolarHBondContact SG-CB 3.36Å; C291-C331 CovalentContact SG-SG 2.03Å; C291-C331 PolarHBondContact SG-SG 3.11Å
292	S	98.3	Very high	97.4	Very high	9 Å²	9	16 Å²	16	6%	0.063	9%	0.089	C	C	.	.			trans	-73.7	120.6	-172.1	-176.1	0	0	0	0	112.1	V288 Y294 I306 Y310	V288-S292 WeakPolarHBondContact O-CB 3.34Å; V288-S292 PolarHBondContact O-N 2.87Å; S292-Y294 PolarHBondContact O-N 2.81Å; S292-Y294 PolarHBondContact OG-N 3.04Å; S292-I306 WeakPolarHBondContact OG-CD1 3.42Å; S292-Y310 VanDerWaalsContact OG-CD2 3.28Å; S292-Y310 WeakPolarHBondContact OG-CD2 3.46Å
293	Q	97	Very high	97.4	Very high	86 Å²	86	14.3 Å²	14.3	40%	0.402	8%	0.081	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-4.1	170.7	-58.4	-175.8	-66.4	0	0	112.8	W125 C291	W125-Q293 HydrophobicContact CH2-CB 3.91Å; W125-Q293 HydrophobicContact CZ2-CB 3.76Å; C291-Q293 PolarHBondContact O-N 2.96Å
294	Y	98.3	Very high	97.4	Very high	2 Å²	2	15 Å²	15	1%	0.008	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	3.6	179	-59.6	-13.1	0	0	0	112.8	F102 F104 W125 S292 L305 K309 Y310 D313 F314	F102-Y294 HydrophobicContact CD1-CD1 4.03Å; F102-Y294 AromaticContact CD1-CE1 3.94Å; F102-Y294 HydrophobicContact CD1-CE1 3.94Å; F102-Y294 AromaticContact CE1-CD1 3.53Å; F102-Y294 HydrophobicContact CE1-CD1 3.53Å; F102-Y294 AromaticContact CE1-CE1 3.91Å; F102-Y294 HydrophobicContact CE1-CE1 3.91Å; F102-Y294 AromaticContact CE1-CG 3.97Å; F102-Y294 HydrophobicContact CE1-CG 3.97Å; F104-Y294 WeakPolarHBondContact CZ-O 2.96Å; W125-Y294 AromaticContact CD2-CE1 3.64Å; W125-Y294 HydrophobicContact CD2-CE1 3.64Å; W125-Y294 AromaticContact CE2-CE1 3.92Å; W125-Y294 HydrophobicContact CE3-CD1 4.14Å; W125-Y294 AromaticContact CE3-CE1 3.56Å; W125-Y294 HydrophobicContact CE3-CE1 3.56Å; W125-Y294 HydrophobicContact CG-CE1 4.21Å; W125-Y294 HydrophobicContact CH2-CD1 4.11Å; W125-Y294 HydrophobicContact CH2-CE1 4.06Å; W125-Y294 HydrophobicContact CZ2-CE1 4.14Å; W125-Y294 AromaticContact CZ3-CD1 3.91Å; W125-Y294 HydrophobicContact CZ3-CD1 3.91Å; W125-Y294 AromaticContact CZ3-CE1 3.78Å; W125-Y294 HydrophobicContact CZ3-CE1 3.78Å; S292-Y294 PolarHBondContact O-N 2.81Å; S292-Y294 PolarHBondContact OG-N 3.04Å; Y294-L305 WeakPolarHBondContact O-CD1 3.44Å; Y294-K309 HydrophobicContact CD2-CB 4.29Å; Y294-K309 HydrophobicContact CD2-CD 4.05Å; Y294-K309 HydrophobicContact CD2-CG 4.04Å; Y294-K309 HydrophobicContact CE2-CB 4.36Å; Y294-K309 HydrophobicContact CE2-CD 3.7Å; Y294-K309 HydrophobicContact CE2-CG 3.65Å; Y294-Y310 HydrophobicContact CD2-CD2 4.25Å; Y294-D313 PolarHBondContact OH-OD2 2.71Å; Y294-F314 HydrophobicContact CE1-CE2 4.45Å; Y294-F314 HydrophobicContact CE2-CD2 4.31Å; Y294-F314 AromaticContact CE2-CE2 3.78Å; Y294-F314 HydrophobicContact CE2-CE2 3.78Å; Y294-F314 AromaticContact CZ-CE2 3.7Å
295	A	97	Very high	97.4	Very high	11 Å²	11	15 Å²	15	9%	0.091	8%	0.084	C	C	.	.	S	Bend	trans	-141.5	-179.5	175.1	0	0	0	0	0	110.8	Y259 I306	Y259-A295 HydrophobicContact CD2-CB 4.37Å; Y259-A295 HydrophobicContact CE2-CB 3.5Å; A295-I306 HydrophobicContact CB-CD1 3.93Å; A295-I306 HydrophobicContact CB-CG1 4.44Å
296	Q	96.3	Very high	97.4	Very high	39 Å²	39	15 Å²	15	18%	0.182	8%	0.084	C	C	.	.			trans	-115.1	30.4	-174.5	-65.6	73.8	61.6	0	0	111.7	T26 C298 E299 G300	T26-Q296 VanDerWaalsContact CG2-CD 3.48Å; T26-Q296 HydrophobicContact CG2-CG 3.96Å; Q296-C298 PolarHBondContact O-N 3.48Å; Q296-E299 HydrophobicContact CB-CB 3.99Å; Q296-E299 WeakPolarHBondContact CB-O 3.32Å; Q296-E299 WeakPolarHBondContact O-CA 3.1Å; Q296-E299 VanDerWaalsContact O-CB 3.26Å; Q296-E299 WeakPolarHBondContact O-CB 3.43Å; Q296-E299 PolarHBondContact O-N 3.36Å; Q296-G300 PolarHBondContact N-O 3.4Å
297	G	96.4	Very high	97.4	Very high	6 Å²	6	15 Å²	15	6%	0.062	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	-127.3	178.1	0	0	0	0	0	112.3	Y259 V289 E299 D328	Y259-G297 VanDerWaalsContact CE1-O 3.28Å; Y259-G297 WeakPolarHBondContact CE1-O 3.45Å; Y259-G297 PolarHBondContact OH-O 3.02Å; V289-G297 VanDerWaalsContact O-CA 3.22Å; V289-G297 WeakPolarHBondContact O-CA 3.25Å; G297-E299 PolarHBondContact O-N 2.67Å; G297-D328 WeakPolarHBondContact CA-OD1 3.21Å
298	C	96.2	Very high	97.4	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.014	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-6.8	173.9	-71.8	0	0	0	0	113.5	K203 C255 G256 Q296 G300 D328	K203-C298 WeakPolarHBondContact CE-O 3.36Å; C255-C298 HydrophobicContact CB-CB 3.97Å; C255-C298 WeakPolarHBondContact CB-SG 3.3Å; C255-C298 WeakPolarHBondContact SG-CA 3.44Å; C255-C298 WeakPolarHBondContact SG-CB 3.46Å; C255-C298 CovalentContact SG-SG 2.04Å; C255-C298 PolarHBondContact SG-SG 3.12Å; G256-C298 WeakPolarHBondContact CA-O 3.25Å; G256-C298 PolarHBondContact N-O 2.92Å; Q296-C298 PolarHBondContact O-N 3.48Å; C298-G300 VanDerWaalsContact C-N 3.27Å; C298-G300 PolarHBondContact O-N 2.83Å; C298-D328 WeakPolarHBondContact CB-OD2 3.44Å; C298-D328 PolarHBondContact N-OD1 3.25Å
299	E	92.8	Very high	97.4	Very high	52 Å²	52	14.9 Å²	14.9	24%	0.243	8%	0.083	C	C	.	.	B	Isolated β-bridge	trans	-91.3	31.9	173.5	-60	-168.7	163.7	0	0	111.1	R23 C24 D25 Q296 G297	R23-E299 WeakPolarHBondContact O-CA 3.24Å; R23-E299 WeakPolarHBondContact O-CB 3.43Å; R23-E299 WeakPolarHBondContact O-CG 3.18Å; C24-E299 CarbonylContact C-O 3.54Å; C24-E299 WeakPolarHBondContact CA-O 3.36Å; D25-E299 WeakPolarHBondContact CA-O 3.23Å; D25-E299 PolarHBondContact N-O 2.85Å; Q296-E299 HydrophobicContact CB-CB 3.99Å; Q296-E299 WeakPolarHBondContact CB-O 3.32Å; Q296-E299 WeakPolarHBondContact O-CA 3.1Å; Q296-E299 VanDerWaalsContact O-CB 3.26Å; Q296-E299 WeakPolarHBondContact O-CB 3.43Å; Q296-E299 PolarHBondContact O-N 3.36Å; G297-E299 PolarHBondContact O-N 2.67Å
300	G	94.1	Very high	97.4	Very high	2 Å²	2	15.1 Å²	15.1	2%	0.021	8%	0.083	C	C	.	.			trans	89.4	-178.1	172.3	0	0	0	0	0	116.2	D25 G256 Y259 Q296 C298	D25-G300 WeakPolarHBondContact OD1-CA 3.2Å; G256-G300 WeakPolarHBondContact O-CA 3.4Å; G256-G300 PolarHBondContact O-N 2.04Å; Y259-G300 VanDerWaalsContact CD1-C 3.49Å; Y259-G300 WeakPolarHBondContact CE1-O 3.33Å; Q296-G300 PolarHBondContact N-O 3.4Å; C298-G300 VanDerWaalsContact C-N 3.27Å; C298-G300 PolarHBondContact O-N 2.83Å
301	G	95.6	Very high	97.5	Very high	9 Å²	9	14 Å²	14	9%	0.093	8%	0.076	C	C	.	.			trans	158	175.8	-167.1	0	0	0	0	0	112.8	D25 Y259	D25-G301 PolarHBondContact OD1-N 3.09Å; Y259-G301 VanDerWaalsContact CB-C 3.44Å; Y259-G301 WeakPolarHBondContact CB-O 3.45Å; Y259-G301 VanDerWaalsContact CG-C 3.44Å
302	F	97.3	Very high	97.5	Very high	9 Å²	9	14.6 Å²	14.6	4%	0.039	8%	0.076	C	C	.	.			trans	-128.9	130.3	-170.4	-67.8	-91.7	0	0	0	112.1	D25 I87 Y88 Q90 Y304 L305 I306	D25-F302 HydrophobicContact CB-CE2 4.21Å; D25-F302 HydrophobicContact CB-CZ 4.41Å; D25-F302 WeakPolarHBondContact OD2-CZ 3.45Å; I87-F302 HydrophobicContact CG2-CB 4.23Å; I87-F302 HydrophobicContact CG2-CG 4.26Å; Y88-F302 AromaticContact CD1-CE1 3.5Å; Y88-F302 HydrophobicContact CD1-CE1 3.5Å; Y88-F302 AromaticContact CD1-CZ 3.61Å; Y88-F302 HydrophobicContact CD1-CZ 3.61Å; Y88-F302 HydrophobicContact CE1-CE1 4.49Å; Y88-F302 HydrophobicContact CE1-CZ 4.48Å; Y88-F302 AromaticContact CG-CE1 3.63Å; Y88-F302 HydrophobicContact CG-CE1 3.63Å; Y88-F302 HydrophobicContact CG-CZ 4.19Å; Q90-F302 HydrophobicContact CB-CE2 4.44Å; Q90-F302 HydrophobicContact CG-CD2 4.13Å; Q90-F302 HydrophobicContact CG-CE1 4.47Å; Q90-F302 HydrophobicContact CG-CE2 3.38Å; Q90-F302 HydrophobicContact CG-CZ 3.57Å; F302-Y304 PolarHBondContact O-N 2.9Å; F302-Y304 VanDerWaalsContact O-N 3.16Å; F302-L305 PolarHBondContact O-N 3.39Å; F302-I306 PolarHBondContact O-N 2.82Å
303	P	98.6	Very high	97.5	Very high	14 Å²	14	14.6 Å²	14.6	9%	0.091	8%	0.076	C	C	.	.	H	α-helix	trans	-57.3	-31.6	180	-28.1	35.6	0	0	0	115	A262 S263 L305 I306 A307 A406 V455	A262-P303 HydrophobicContact CB-CG 4.41Å; S263-P303 WeakPolarHBondContact OG-CA 3.42Å; P303-L305 VanDerWaalsContact C-N 3.28Å; P303-L305 PolarHBondContact O-N 3.42Å; P303-I306 PolarHBondContact O-N 2.83Å; P303-A307 WeakPolarHBondContact O-CB 3.34Å; P303-A307 PolarHBondContact O-N 2.84Å; P303-A406 HydrophobicContact CG-CB 4.05Å; P303-V455 HydrophobicContact CB-CB 4.48Å; P303-V455 HydrophobicContact CB-CG2 4.49Å
304	Y	98.8	Very high	97.6	Very high	15 Å²	15	12.2 Å²	12.2	6%	0.059	6%	0.064	C	C	.	.	I	π-helix	trans	-55.5	-45.4	173.7	-174.9	-84.4	0	0	0	111.7	T85 I87 E93 F302 G308 K309 Y345 Y347	T85-Y304 HydrophobicContact CG2-CE1 4.31Å; T85-Y304 HydrophobicContact CG2-CE2 4.1Å; T85-Y304 WeakPolarHBondContact CG2-OH 3.34Å; I87-Y304 HydrophobicContact CD1-CD1 3.86Å; I87-Y304 HydrophobicContact CD1-CE1 4Å; I87-Y304 HydrophobicContact CG1-CD1 4.08Å; I87-Y304 HydrophobicContact CG1-CE1 4.28Å; E93-Y304 HydrophobicContact CB-CE1 4.26Å; E93-Y304 VanDerWaalsContact OE2-CE1 3.29Å; E93-Y304 WeakPolarHBondContact OE2-CE1 3.05Å; E93-Y304 VanDerWaalsContact OE2-CZ 3.31Å; E93-Y304 PolarHBondContact OE2-OH 2.86Å; F302-Y304 PolarHBondContact O-N 2.9Å; F302-Y304 VanDerWaalsContact O-N 3.16Å; Y304-G308 WeakPolarHBondContact O-CA 3.33Å; Y304-G308 PolarHBondContact O-N 2.86Å; Y304-K309 PolarHBondContact O-N 3.21Å; Y304-K309 VanDerWaalsContact O-N 3.09Å; Y304-Y345 HydrophobicContact CD1-CE2 4.42Å; Y304-Y345 HydrophobicContact CD2-CD2 4.46Å; Y304-Y345 HydrophobicContact CE1-CD2 4.07Å; Y304-Y345 AromaticContact CE1-CE2 3.69Å; Y304-Y345 HydrophobicContact CE1-CE2 3.69Å; Y304-Y345 HydrophobicContact CE2-CD2 4.02Å; Y304-Y345 HydrophobicContact CE2-CE2 4.34Å; Y304-Y345 AromaticContact CZ-CD2 3.8Å; Y304-Y345 AromaticContact CZ-CE2 3.64Å; Y304-Y347 HydrophobicContact CD2-CD1 4.19Å; Y304-Y347 AromaticContact CD2-CD2 3.53Å; Y304-Y347 HydrophobicContact CD2-CD2 3.53Å; Y304-Y347 HydrophobicContact CD2-CE1 4.07Å; Y304-Y347 AromaticContact CD2-CE2 3.41Å; Y304-Y347 HydrophobicContact CD2-CE2 3.41Å; Y304-Y347 VanDerWaalsContact CD2-CE2 3.41Å; Y304-Y347 AromaticContact CD2-CG 3.93Å; Y304-Y347 HydrophobicContact CD2-CG 3.93Å; Y304-Y347 AromaticContact CD2-CZ 3.71Å; Y304-Y347 AromaticContact CE2-CD2 3.65Å; Y304-Y347 HydrophobicContact CE2-CD2 3.65Å; Y304-Y347 AromaticContact CE2-CE2 3.83Å; Y304-Y347 HydrophobicContact CE2-CE2 3.83Å; Y304-Y347 HydrophobicContact CE2-CG 4.27Å; Y304-Y347 HydrophobicContact CG-CD2 4.38Å; Y304-Y347 HydrophobicContact CG-CE1 4.41Å; Y304-Y347 AromaticContact CG-CE2 3.81Å; Y304-Y347 HydrophobicContact CG-CE2 3.81Å; Y304-Y347 AromaticContact CG-CZ 3.83Å
305	L	98.8	Very high	97.6	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.064	C	C	.	.	I	π-helix	trans	-77.7	-21.7	-179.5	-73.2	177.3	0	0	0	113.4	I87 F102 F104 Y294 F302 P303 K309 Y310	I87-L305 HydrophobicContact CD1-CD1 4.26Å; I87-L305 HydrophobicContact CD1-CD2 3.58Å; I87-L305 HydrophobicContact CD1-CG 3.94Å; I87-L305 HydrophobicContact CG2-CD1 4.13Å; I87-L305 HydrophobicContact CG2-CG 4.2Å; F102-L305 HydrophobicContact CD1-CD2 4.45Å; F102-L305 HydrophobicContact CD2-CD2 3.78Å; F102-L305 HydrophobicContact CE1-CD2 4.12Å; F102-L305 HydrophobicContact CE2-CD1 3.75Å; F102-L305 HydrophobicContact CE2-CD2 3.43Å; F102-L305 VanDerWaalsContact CE2-CD2 3.43Å; F102-L305 HydrophobicContact CE2-CG 4.23Å; F102-L305 HydrophobicContact CG-CD2 4.31Å; F102-L305 HydrophobicContact CZ-CD1 3.59Å; F102-L305 HydrophobicContact CZ-CD2 3.61Å; F102-L305 HydrophobicContact CZ-CG 4.26Å; F104-L305 HydrophobicContact CE1-CD1 3.9Å; F104-L305 HydrophobicContact CZ-CD1 3.84Å; Y294-L305 WeakPolarHBondContact O-CD1 3.44Å; F302-L305 PolarHBondContact O-N 3.39Å; P303-L305 VanDerWaalsContact C-N 3.28Å; P303-L305 PolarHBondContact O-N 3.42Å; L305-K309 HydrophobicContact CD2-CB 4.21Å; L305-K309 HydrophobicContact CD2-CD 3.97Å; L305-Y310 WeakPolarHBondContact O-CB 3.49Å; L305-Y310 PolarHBondContact O-N 3.49Å
306	I	98.9	Very high	97.7	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.059	C	C	.	.	I	π-helix	trans	-99.4	-64.5	-177	-61.4	-46	0	0	0	112.2	Y259 V288 S292 A295 F302 P303 G308 A311	Y259-I306 HydrophobicContact CD2-CG1 3.66Å; Y259-I306 HydrophobicContact CE2-CD1 4.36Å; Y259-I306 HydrophobicContact CE2-CG1 3.78Å; V288-I306 HydrophobicContact CB-CG2 4.35Å; V288-I306 HydrophobicContact CG1-CB 4.39Å; V288-I306 HydrophobicContact CG1-CD1 3.62Å; V288-I306 HydrophobicContact CG1-CG1 3.82Å; V288-I306 HydrophobicContact CG1-CG2 3.62Å; V288-I306 HydrophobicContact CG2-CG2 3.79Å; S292-I306 WeakPolarHBondContact OG-CD1 3.42Å; A295-I306 HydrophobicContact CB-CD1 3.93Å; A295-I306 HydrophobicContact CB-CG1 4.44Å; F302-I306 PolarHBondContact O-N 2.82Å; P303-I306 PolarHBondContact O-N 2.83Å; I306-G308 PolarHBondContact O-N 3.03Å; I306-A311 WeakPolarHBondContact O-CB 3.34Å; I306-A311 PolarHBondContact O-N 3.05Å
307	A	98.8	Very high	97.8	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.051	C	C	.	.	I	π-helix	trans	-65.3	-28.8	-179.5	0	0	0	0	0	112.3	M266 L267 P303 A311 S342 A457	M266-A307 HydrophobicContact CE-CB 3.21Å; L267-A307 HydrophobicContact CD1-CB 4.32Å; L267-A307 HydrophobicContact CG-CB 4.34Å; P303-A307 WeakPolarHBondContact O-CB 3.34Å; P303-A307 PolarHBondContact O-N 2.84Å; A307-A311 WeakPolarHBondContact O-CB 3.37Å; A307-S342 WeakPolarHBondContact O-CB 3.16Å; A307-S342 PolarHBondContact O-OG 3.46Å; A307-A457 HydrophobicContact CB-CB 4.24Å; A307-A457 VanDerWaalsContact O-CB 3.26Å; A307-A457 WeakPolarHBondContact O-CB 3.46Å
308	G	98.8	Very high	97.9	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.06	C	C	.	.	I	π-helix	trans	-92	-85.7	175.3	0	0	0	0	0	112.1	Y304 I306 Q312 Y345	Y304-G308 WeakPolarHBondContact O-CA 3.33Å; Y304-G308 PolarHBondContact O-N 2.86Å; I306-G308 PolarHBondContact O-N 3.03Å; G308-Q312 VanDerWaalsContact O-CB 3.31Å; G308-Q312 WeakPolarHBondContact O-CB 3.39Å; G308-Q312 PolarHBondContact O-N 2.84Å; G308-Y345 VanDerWaalsContact C-CD1 3.43Å; G308-Y345 VanDerWaalsContact CA-CD1 3.45Å
309	K	98.8	Very high	98.1	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.068	C	C	.	.	I	π-helix	trans	-62.3	-53.7	-167	-166	-179.9	170.3	44.4	0	114	E93 F102 H127 Y294 Y304 L305 A311 Q312 D313 Y345	E93-K309 WeakPolarHBondContact OE1-CD 3.39Å; E93-K309 IonicContact OE1-NZ 3.69Å; F102-K309 HydrophobicContact CB-CD 3.94Å; F102-K309 VanDerWaalsContact CB-CE 3.44Å; F102-K309 HydrophobicContact CD1-CD 3.93Å; F102-K309 HydrophobicContact CG-CD 3.86Å; H127-K309 PolarHBondContact NE2-NZ 3.08Å; Y294-K309 HydrophobicContact CD2-CB 4.29Å; Y294-K309 HydrophobicContact CD2-CD 4.05Å; Y294-K309 HydrophobicContact CD2-CG 4.04Å; Y294-K309 HydrophobicContact CE2-CB 4.36Å; Y294-K309 HydrophobicContact CE2-CD 3.7Å; Y294-K309 HydrophobicContact CE2-CG 3.65Å; Y304-K309 PolarHBondContact O-N 3.21Å; Y304-K309 VanDerWaalsContact O-N 3.09Å; L305-K309 HydrophobicContact CD2-CB 4.21Å; L305-K309 HydrophobicContact CD2-CD 3.97Å; K309-A311 PolarHBondContact O-N 2.85Å; K309-Q312 PolarHBondContact O-N 2.75Å; K309-Q312 VanDerWaalsContact O-N 3.16Å; K309-D313 WeakPolarHBondContact CE-OD2 3.25Å; K309-D313 VanDerWaalsContact CG-OD2 3.3Å; K309-D313 WeakPolarHBondContact CG-OD2 3.38Å; K309-D313 IonicContact NZ-OD2 3.86Å; K309-D313 PolarHBondContact NZ-OD2 3.15Å; K309-D313 WeakPolarHBondContact O-CB 2.98Å; K309-D313 VanDerWaalsContact O-CG 3.22Å; K309-D313 PolarHBondContact O-N 2.9Å; K309-Y345 HydrophobicContact CB-CE2 4.27Å
310	Y	98.9	Very high	98.3	Very high	12 Å²	12	14.5 Å²	14.5	5%	0.047	8%	0.082	C	C	.	.	I	π-helix	trans	-64	-43.1	-179.1	-174.8	-104.3	0	0	0	111.8	E287 V288 S292 Y294 L305 Q312 D313 F314 G315 L316	E287-Y310 PolarHBondContact OE1-OH 2.78Å; E287-Y310 WeakPolarHBondContact OE2-CE1 3.34Å; V288-Y310 HydrophobicContact CG2-CD1 4.39Å; V288-Y310 HydrophobicContact CG2-CE1 4.32Å; S292-Y310 VanDerWaalsContact OG-CD2 3.28Å; S292-Y310 WeakPolarHBondContact OG-CD2 3.46Å; Y294-Y310 HydrophobicContact CD2-CD2 4.25Å; L305-Y310 WeakPolarHBondContact O-CB 3.49Å; L305-Y310 PolarHBondContact O-N 3.49Å; Y310-Q312 VanDerWaalsContact C-N 3.29Å; Y310-Q312 PolarHBondContact O-N 2.76Å; Y310-D313 PolarHBondContact O-N 2.91Å; Y310-F314 HydrophobicContact CD2-CB 4.09Å; Y310-F314 AromaticContact CD2-CD2 3.4Å; Y310-F314 HydrophobicContact CD2-CD2 3.4Å; Y310-F314 HydrophobicContact CD2-CE2 4.17Å; Y310-F314 HydrophobicContact CD2-CG 4.01Å; Y310-F314 HydrophobicContact CE1-CB 4.48Å; Y310-F314 HydrophobicContact CE2-CB 3.78Å; Y310-F314 AromaticContact CE2-CD2 3.6Å; Y310-F314 HydrophobicContact CE2-CD2 3.6Å; Y310-F314 HydrophobicContact CE2-CE2 4.42Å; Y310-F314 AromaticContact CE2-CG 3.78Å; Y310-F314 HydrophobicContact CE2-CG 3.78Å; Y310-F314 HydrophobicContact CG-CD2 4.27Å; Y310-F314 WeakPolarHBondContact O-CA 3.45Å; Y310-F314 WeakPolarHBondContact O-CB 3.17Å; Y310-F314 PolarHBondContact O-N 2.65Å; Y310-G315 PolarHBondContact O-N 3.05Å; Y310-G315 VanDerWaalsContact O-N 3.08Å; Y310-L316 HydrophobicContact CD1-CD2 3.74Å; Y310-L316 HydrophobicContact CE1-CD2 3.9Å
311	A	98.9	Very high	98.5	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.008	8%	0.084	C	C	.	.	H	α-helix	trans	-62.2	-36.2	174.1	0	0	0	0	0	112.1	L267 I306 A307 K309 G315 L316 Y341 S342	L267-A311 HydrophobicContact CD1-CB 4.11Å; I306-A311 WeakPolarHBondContact O-CB 3.34Å; I306-A311 PolarHBondContact O-N 3.05Å; A307-A311 WeakPolarHBondContact O-CB 3.37Å; K309-A311 PolarHBondContact O-N 2.85Å; A311-G315 WeakPolarHBondContact O-CA 3Å; A311-G315 PolarHBondContact O-N 3.3Å; A311-L316 HydrophobicContact CB-CD1 3.95Å; A311-L316 HydrophobicContact CB-CG 4.05Å; A311-Y341 VanDerWaalsContact O-CA 3.24Å; A311-Y341 WeakPolarHBondContact O-CA 3.36Å; A311-Y341 VanDerWaalsContact O-CD1 3.27Å; A311-Y341 WeakPolarHBondContact O-CD1 3.24Å; A311-S342 VanDerWaalsContact CB-OG 3.32Å; A311-S342 WeakPolarHBondContact CB-OG 3.21Å; A311-S342 PolarHBondContact O-N 3.49Å
312	Q	98.9	Very high	98.7	Very high	37 Å²	37	15.1 Å²	15.1	17%	0.173	8%	0.082	C	C	.	.	H	α-helix	trans	-70.2	-43.7	174.9	178.7	161.4	97.1	0	0	112.7	G308 K309 Y310 Y341 S342 S343 Y345	G308-Q312 VanDerWaalsContact O-CB 3.31Å; G308-Q312 WeakPolarHBondContact O-CB 3.39Å; G308-Q312 PolarHBondContact O-N 2.84Å; K309-Q312 PolarHBondContact O-N 2.75Å; K309-Q312 VanDerWaalsContact O-N 3.16Å; Y310-Q312 VanDerWaalsContact C-N 3.29Å; Y310-Q312 PolarHBondContact O-N 2.76Å; Q312-Y341 WeakPolarHBondContact O-CD1 3.46Å; Q312-S342 WeakPolarHBondContact CB-O 3.45Å; Q312-S342 WeakPolarHBondContact CG-O 3.37Å; Q312-S342 PolarHBondContact NE2-O 3.31Å; Q312-S343 PolarHBondContact NE2-O 2.89Å; Q312-S343 VanDerWaalsContact NE2-O 3.11Å; Q312-Y345 HydrophobicContact CB-CD1 4.46Å; Q312-Y345 HydrophobicContact CB-CE1 4.09Å
313	D	98.7	Very high	98.7	Very high	10 Å²	10	18.1 Å²	18.1	5%	0.053	10%	0.103	C	C	.	.	H	α-helix	trans	-83.9	-40.6	-169.7	-66.7	-16	0	0	0	112.4	H127 W134 Y294 K309 Y310	H127-D313 IonicContact CE1-OD1 2.65Å; H127-D313 PolarHBondContact CE1-OD1 3.3Å; H127-D313 IonicContact CE1-OD2 2.79Å; H127-D313 IonicContact NE2-OD1 2.69Å; H127-D313 PolarHBondContact NE2-OD1 3.11Å; H127-D313 IonicContact NE2-OD2 3.74Å; H127-D313 PolarHBondContact NE2-OD2 3.15Å; W134-D313 HydrophobicContact CH2-CB 3.68Å; W134-D313 HydrophobicContact CZ2-CB 3.9Å; Y294-D313 PolarHBondContact OH-OD2 2.71Å; K309-D313 WeakPolarHBondContact CE-OD2 3.25Å; K309-D313 VanDerWaalsContact CG-OD2 3.3Å; K309-D313 WeakPolarHBondContact CG-OD2 3.38Å; K309-D313 IonicContact NZ-OD2 3.86Å; K309-D313 PolarHBondContact NZ-OD2 3.15Å; K309-D313 WeakPolarHBondContact O-CB 2.98Å; K309-D313 VanDerWaalsContact O-CG 3.22Å; K309-D313 PolarHBondContact O-N 2.9Å; Y310-D313 PolarHBondContact O-N 2.91Å
314	F	98.6	Very high	98.7	Very high	36 Å²	36	19.4 Å²	19.4	16%	0.158	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116	-27.6	-173.3	-59	-80.9	0	0	0	112.4	R50 W134 Y294 Y310 R339 Y341	R50-F314 HydrophobicContact CB-CE1 4.32Å; R50-F314 WeakPolarHBondContact O-CE1 3.15Å; W134-F314 HydrophobicContact CH2-CE2 4.3Å; W134-F314 HydrophobicContact CH2-CZ 4.14Å; W134-F314 HydrophobicContact CZ3-CZ 4.4Å; Y294-F314 HydrophobicContact CE1-CE2 4.45Å; Y294-F314 HydrophobicContact CE2-CD2 4.31Å; Y294-F314 AromaticContact CE2-CE2 3.78Å; Y294-F314 HydrophobicContact CE2-CE2 3.78Å; Y294-F314 AromaticContact CZ-CE2 3.7Å; Y310-F314 HydrophobicContact CD2-CB 4.09Å; Y310-F314 AromaticContact CD2-CD2 3.4Å; Y310-F314 HydrophobicContact CD2-CD2 3.4Å; Y310-F314 HydrophobicContact CD2-CE2 4.17Å; Y310-F314 HydrophobicContact CD2-CG 4.01Å; Y310-F314 HydrophobicContact CE1-CB 4.48Å; Y310-F314 HydrophobicContact CE2-CB 3.78Å; Y310-F314 AromaticContact CE2-CD2 3.6Å; Y310-F314 HydrophobicContact CE2-CD2 3.6Å; Y310-F314 HydrophobicContact CE2-CE2 4.42Å; Y310-F314 AromaticContact CE2-CG 3.78Å; Y310-F314 HydrophobicContact CE2-CG 3.78Å; Y310-F314 HydrophobicContact CG-CD2 4.27Å; Y310-F314 WeakPolarHBondContact O-CA 3.45Å; Y310-F314 WeakPolarHBondContact O-CB 3.17Å; Y310-F314 PolarHBondContact O-N 2.65Å; F314-R339 WeakPolarHBondContact O-CD 3.45Å; F314-R339 PolarHBondContact O-NE 3.1Å; F314-Y341 VanDerWaalsContact C-CE1 3.45Å; F314-Y341 PolarHBondContact O-OH 3.46Å
315	G	98.6	Very high	98.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.126	C	C	.	.			trans	76.7	170.9	-173.8	0	0	0	0	0	112.5	Y310 A311 R339 Y340	Y310-G315 PolarHBondContact O-N 3.05Å; Y310-G315 VanDerWaalsContact O-N 3.08Å; A311-G315 WeakPolarHBondContact O-CA 3Å; A311-G315 PolarHBondContact O-N 3.3Å; G315-R339 PolarHBondContact O-NE 2.83Å; G315-R339 PolarHBondContact O-NH2 3.4Å; G315-Y340 CarbonylContact C-O 3.47Å; G315-Y340 WeakPolarHBondContact CA-O 3.32Å
316	L	98.9	Very high	98.6	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	-123	138.7	-176.3	-63.8	173.1	0	0	0	111.1	L267 L283 V288 Y310 A311 R339 Y340	L267-L316 HydrophobicContact CD1-CD1 3.38Å; L283-L316 HydrophobicContact CD1-CB 4.48Å; L283-L316 HydrophobicContact CD1-CD1 4.13Å; V288-L316 HydrophobicContact CG2-CD2 3.57Å; Y310-L316 HydrophobicContact CD1-CD2 3.74Å; Y310-L316 HydrophobicContact CE1-CD2 3.9Å; A311-L316 HydrophobicContact CB-CD1 3.95Å; A311-L316 HydrophobicContact CB-CG 4.05Å; L316-R339 CarbonylContact O-C 3.57Å; L316-R339 VanDerWaalsContact O-CA 3.31Å; L316-R339 WeakPolarHBondContact O-CA 3.45Å; L316-Y340 PolarHBondContact N-O 3.4Å; L316-Y340 PolarHBondContact O-N 3.03Å
317	V	98.9	Very high	98.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.151	C	C	.	.			trans	-90.6	162.3	176.6	-60	0	0	0	0	111.8	L283 S284 E287 C321 F322 M333 C337 R339	L283-V317 CarbonylContact C-O 3.57Å; L283-V317 WeakPolarHBondContact CA-O 3.18Å; S284-V317 PolarHBondContact N-O 2.83Å; E287-V317 HydrophobicContact CB-CG2 3.65Å; E287-V317 HydrophobicContact CG-CG2 3.71Å; V317-C321 HydrophobicContact CB-CB 3.83Å; V317-C321 HydrophobicContact CG2-CB 3.89Å; V317-F322 HydrophobicContact CG2-CB 4.37Å; V317-M333 HydrophobicContact CG1-SD 3.92Å; V317-M333 HydrophobicContact CG2-SD 4.24Å; V317-C337 HydrophobicContact CB-CB 4.27Å; V317-C337 HydrophobicContact CG1-CB 3.81Å; V317-R339 HydrophobicContact CG1-CG 4.1Å; V317-R339 VanDerWaalsContact CG1-NH1 3.28Å
318	E	98.9	Very high	98.4	Very high	58 Å²	58	30.4 Å²	30.4	27%	0.271	17%	0.174	S	C	.	.	B	Isolated β-bridge	trans	-72.7	153.2	171.6	-62.6	-173.9	-161	0	0	111.9	P281 I282 A320 C321 Y340 K462	P281-E318 HydrophobicContact CB-CG 4.43Å; I282-E318 CarbonylContact O-C 3.59Å; I282-E318 VanDerWaalsContact O-CA 3.26Å; I282-E318 WeakPolarHBondContact O-CA 3.42Å; I282-E318 WeakPolarHBondContact O-CB 3.43Å; E318-A320 PolarHBondContact O-N 2.84Å; E318-A320 VanDerWaalsContact O-N 3.12Å; E318-C321 WeakPolarHBondContact O-CB 3.04Å; E318-C321 PolarHBondContact O-N 2.87Å; E318-Y340 HydrophobicContact CG-CE2 3.67Å; E318-Y340 WeakPolarHBondContact OE1-CE2 3.26Å; E318-Y340 PolarHBondContact OE1-OH 2.79Å; E318-K462 IonicContact OE1-NZ 2.69Å; E318-K462 PolarHBondContact OE1-NZ 3.2Å
319	E	98.8	Very high	98.4	Very high	38 Å²	38	31.6 Å²	31.6	18%	0.178	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-38.3	177.6	178.2	66.4	-169.7	0	0	112.5	R250 I282 P285 C321 F322 P323 Y324	R250-E319 IonicContact CZ-OE1 3.17Å; R250-E319 IonicContact CZ-OE2 2.68Å; R250-E319 IonicContact NH1-OE1 3.83Å; R250-E319 IonicContact NH1-OE2 3.32Å; R250-E319 PolarHBondContact NH1-OE2 2.79Å; R250-E319 IonicContact NH2-OE1 2.8Å; R250-E319 PolarHBondContact NH2-OE1 3.32Å; R250-E319 IonicContact NH2-OE2 3.99Å; R250-E319 PolarHBondContact NH2-OE2 3.21Å; R250-E319 VanDerWaalsContact NH2-OE2 3.1Å; I282-E319 HydrophobicContact CB-CB 4.26Å; I282-E319 HydrophobicContact CG2-CB 3.88Å; I282-E319 HydrophobicContact CG2-CG 4.44Å; I282-E319 PolarHBondContact O-N 3.47Å; P285-E319 WeakPolarHBondContact CD-OE2 3.31Å; E319-C321 PolarHBondContact O-N 3.17Å; E319-F322 CarbonylContact O-C 3.58Å; E319-F322 PolarHBondContact O-N 3Å; E319-P323 WeakPolarHBondContact O-CA 3.5Å; E319-P323 WeakPolarHBondContact OE1-CA 3.3Å; E319-Y324 PolarHBondContact OE1-N 2.68Å
320	A	98.3	Very high	98.3	Very high	64 Å²	64	36.8 Å²	36.8	53%	0.529	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-21.4	179.4	0	0	0	0	0	113.6	E318 K334	E318-A320 PolarHBondContact O-N 2.84Å; E318-A320 VanDerWaalsContact O-N 3.12Å; A320-K334 WeakPolarHBondContact O-CE 2.86Å; A320-K334 PolarHBondContact O-NZ 3.28Å
321	C	98.6	Very high	98.3	Very high	10 Å²	10	39.7 Å²	39.7	7%	0.068	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-42.1	175.2	-177.7	0	0	0	0	111.9	V317 E318 E319 K334 C337	V317-C321 HydrophobicContact CB-CB 3.83Å; V317-C321 HydrophobicContact CG2-CB 3.89Å; E318-C321 WeakPolarHBondContact O-CB 3.04Å; E318-C321 PolarHBondContact O-N 2.87Å; E319-C321 PolarHBondContact O-N 3.17Å; C321-K334 PolarHBondContact O-N 3.06Å; C321-C337 HydrophobicContact CB-CB 3.77Å; C321-C337 WeakPolarHBondContact CB-SG 3.04Å; C321-C337 WeakPolarHBondContact SG-CB 3.2Å; C321-C337 CovalentContact SG-SG 2.01Å; C321-C337 PolarHBondContact SG-SG 3Å
322	F	98.7	Very high	98.2	Very high	13 Å²	13	48.2 Å²	48.2	6%	0.057	27%	0.274	C	S	.	.	S	Bend	trans	-141.8	88.5	-179.9	-159.2	-17.5	0	0	0	109.6	S284 Q286 E287 V317 E319 P330 M333	S284-F322 WeakPolarHBondContact CB-O 3.2Å; S284-F322 PolarHBondContact OG-O 2.96Å; Q286-F322 HydrophobicContact CB-CD1 3.99Å; Q286-F322 HydrophobicContact CB-CE1 4.32Å; Q286-F322 HydrophobicContact CB-CG 4.31Å; Q286-F322 HydrophobicContact CG-CD1 3.57Å; Q286-F322 HydrophobicContact CG-CE1 3.42Å; Q286-F322 VanDerWaalsContact CG-CE1 3.42Å; Q286-F322 HydrophobicContact CG-CG 4.27Å; Q286-F322 HydrophobicContact CG-CZ 4.01Å; E287-F322 HydrophobicContact CB-CB 4.16Å; E287-F322 HydrophobicContact CB-CD2 3.76Å; E287-F322 HydrophobicContact CB-CG 4.3Å; E287-F322 HydrophobicContact CG-CD2 4.09Å; V317-F322 HydrophobicContact CG2-CB 4.37Å; E319-F322 CarbonylContact O-C 3.58Å; E319-F322 PolarHBondContact O-N 3Å; F322-P330 WeakPolarHBondContact CZ-O 3.41Å; F322-M333 HydrophobicContact CB-CB 3.87Å; F322-M333 HydrophobicContact CD2-CB 3.64Å; F322-M333 HydrophobicContact CD2-CE 4.18Å; F322-M333 HydrophobicContact CE2-CB 4.39Å; F322-M333 HydrophobicContact CG-CB 3.94Å
323	P	98.6	Very high	98	Very high	72 Å²	72	49 Å²	49	47%	0.468	28%	0.278	S	S	.	.			trans	-64.9	147.1	-178	-24.3	35.4	0	0	0	112.8	Q286 E319 T325	Q286-P323 WeakPolarHBondContact CG-O 3.38Å; E319-P323 WeakPolarHBondContact O-CA 3.5Å; E319-P323 WeakPolarHBondContact OE1-CA 3.3Å; P323-T325 PolarHBondContact O-N 2.9Å
324	Y	98.8	Very high	97.9	Very high	41 Å²	41	54.9 Å²	54.9	16%	0.161	30%	0.303	C	S	.	.			trans	-69.4	125.8	-178.8	-169	-107.5	0	0	0	113.6	Q252 C255 S257 F261 P285 Q286 E319 G326	Q252-Y324 WeakPolarHBondContact CA-OH 3.38Å; Q252-Y324 PolarHBondContact O-OH 3.08Å; C255-Y324 WeakPolarHBondContact CB-OH 3.23Å; S257-Y324 PolarHBondContact OG-OH 2.81Å; F261-Y324 HydrophobicContact CE2-CD1 4.48Å; F261-Y324 HydrophobicContact CE2-CD2 4.18Å; F261-Y324 AromaticContact CE2-CE1 3.94Å; F261-Y324 HydrophobicContact CE2-CE1 3.94Å; F261-Y324 AromaticContact CE2-CE2 3.59Å; F261-Y324 HydrophobicContact CE2-CE2 3.59Å; F261-Y324 AromaticContact CE2-CZ 3.44Å; F261-Y324 VanDerWaalsContact CE2-CZ 3.44Å; F261-Y324 AromaticContact CZ-CD1 3.93Å; F261-Y324 HydrophobicContact CZ-CD1 3.93Å; F261-Y324 HydrophobicContact CZ-CD2 4.07Å; F261-Y324 AromaticContact CZ-CE1 3.76Å; F261-Y324 HydrophobicContact CZ-CE1 3.76Å; F261-Y324 AromaticContact CZ-CE2 3.89Å; F261-Y324 HydrophobicContact CZ-CE2 3.89Å; F261-Y324 HydrophobicContact CZ-CG 4.07Å; F261-Y324 AromaticContact CZ-CZ 3.73Å; P285-Y324 HydrophobicContact CB-CD2 4.34Å; P285-Y324 HydrophobicContact CG-CD2 3.74Å; P285-Y324 HydrophobicContact CG-CE2 4.29Å; P285-Y324 HydrophobicContact CG-CG 4.28Å; Q286-Y324 HydrophobicContact CB-CD2 4.03Å; Q286-Y324 VanDerWaalsContact OE1-CD2 3.27Å; E319-Y324 PolarHBondContact OE1-N 2.68Å; Y324-G326 VanDerWaalsContact CZ-CA 3.45Å
325	T	98.3	Very high	97.7	Very high	76 Å²	76	61.6 Å²	61.6	47%	0.466	34%	0.335	S	S	.	.			trans	-109.5	-16.5	177.8	63.7	0	0	0	0	112.7	Q286 P323 T327	Q286-T325 VanDerWaalsContact CD-OG1 3.31Å; Q286-T325 PolarHBondContact OE1-OG1 3.05Å; Q286-T325 VanDerWaalsContact OE1-OG1 3.08Å; P323-T325 PolarHBondContact O-N 2.9Å; T325-T327 VanDerWaalsContact C-N 3.28Å; T325-T327 PolarHBondContact O-N 2.9Å; T325-T327 PolarHBondContact OG1-OG1 2.91Å
326	G	96.8	Very high	97.6	Very high	7 Å²	7	69.6 Å²	69.6	7%	0.072	38%	0.377	C	S	.	.	S	Bend	trans	67.1	30.2	-177	0	0	0	0	0	113.1	C255 Y324	C255-G326 WeakPolarHBondContact CB-O 3.47Å; Y324-G326 VanDerWaalsContact CZ-CA 3.45Å
327	T	96.9	Very high	97.5	Very high	75 Å²	75	71.4 Å²	71.4	46%	0.46	39%	0.39	S	S	.	.	S	Bend	trans	-144.1	161.9	-178.3	57.6	0	0	0	0	110.9	Q286 T325 S329	Q286-T327 PolarHBondContact NE2-O 2.98Å; T325-T327 VanDerWaalsContact C-N 3.28Å; T325-T327 PolarHBondContact O-N 2.9Å; T325-T327 PolarHBondContact OG1-OG1 2.91Å; T327-S329 PolarHBondContact O-N 2.55Å
328	D	96.9	Very high	97.5	Very high	89 Å²	89	76.2 Å²	76.2	48%	0.476	41%	0.411	S	S	.	.			trans	-75	62.1	170.1	-63.5	-60	0	0	0	110.8	G297 C298	G297-D328 WeakPolarHBondContact CA-OD1 3.21Å; C298-D328 WeakPolarHBondContact CB-OD2 3.44Å; C298-D328 PolarHBondContact N-OD1 3.25Å
329	S	97.6	Very high	97.5	Very high	25 Å²	25	75.9 Å²	75.9	18%	0.175	41%	0.407	C	S	.	.			trans	-67.4	154	176.6	63.8	0	0	0	0	111.1	Q286 S290 T327	Q286-S329 PolarHBondContact NE2-OG 2.73Å; S290-S329 WeakPolarHBondContact CB-O 3.45Å; S290-S329 PolarHBondContact OG-O 3.4Å; S290-S329 PolarHBondContact OG-OG 2.67Å; T327-S329 PolarHBondContact O-N 2.55Å
330	P	98.1	Very high	97.5	Very high	109 Å²	109	74.5 Å²	74.5	71%	0.708	40%	0.4	S	S	*	.			trans	-56.5	146.2	172.2	-24.3	34.3	0	0	0	112.2	F322 K332	F322-P330 WeakPolarHBondContact CZ-O 3.41Å; P330-K332 VanDerWaalsContact C-N 3.28Å; P330-K332 PolarHBondContact O-N 2.96Å
331	C	97.6	Very high	97.5	Very high	72 Å²	72	74.6 Å²	74.6	49%	0.486	39%	0.387	S	S	.	.	S	Bend	trans	-68	82.9	173.8	-176.6	0	0	0	0	111.2	S290 C291	S290-C331 WeakPolarHBondContact O-CB 3.33Å; C291-C331 HydrophobicContact CB-CB 3.94Å; C291-C331 WeakPolarHBondContact CB-SG 3.33Å; C291-C331 WeakPolarHBondContact SG-CB 3.36Å; C291-C331 CovalentContact SG-SG 2.03Å; C291-C331 PolarHBondContact SG-SG 3.11Å
332	K	96.5	Very high	97.5	Very high	181 Å²	181	74.2 Å²	74.2	79%	0.787	39%	0.385	S	S	*	.			trans	-140.2	105.3	177.9	-173.7	-177.2	179	-177.5	0	109.8	P330	P330-K332 VanDerWaalsContact C-N 3.28Å; P330-K332 PolarHBondContact O-N 2.96Å
333	M	96.1	Very high	97.5	Very high	54 Å²	54	76.7 Å²	76.7	27%	0.266	40%	0.404	S	S	.	.			trans	-114.6	177	179.4	69	-169.3	83.1	0	0	111.4	E287 V317 F322	E287-M333 HydrophobicContact CG-CE 3.34Å; E287-M333 HydrophobicContact CG-SD 4Å; V317-M333 HydrophobicContact CG1-SD 3.92Å; V317-M333 HydrophobicContact CG2-SD 4.24Å; F322-M333 HydrophobicContact CB-CB 3.87Å; F322-M333 HydrophobicContact CD2-CB 3.64Å; F322-M333 HydrophobicContact CD2-CE 4.18Å; F322-M333 HydrophobicContact CE2-CB 4.39Å; F322-M333 HydrophobicContact CG-CB 3.94Å
334	K	96.9	Very high	97.5	Very high	132 Å²	132	76.9 Å²	76.9	57%	0.574	40%	0.399	S	S	*	.			trans	-63	149.5	171.2	-66.8	177.7	-176.5	166.3	0	110.9	A320 C321 C337	A320-K334 WeakPolarHBondContact O-CE 2.86Å; A320-K334 PolarHBondContact O-NZ 3.28Å; C321-K334 PolarHBondContact O-N 3.06Å; K334-C337 PolarHBondContact O-SG 2.81Å
335	E	94.2	Very high	97.5	Very high	178 Å²	178	75.5 Å²	75.5	83%	0.832	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	158.3	175.3	-64.9	179.4	176.6	0	0	111.1	C337	E335-C337 VanDerWaalsContact C-N 3.26Å; E335-C337 PolarHBondContact O-N 3.32Å; E335-C337 VanDerWaalsContact O-N 3.15Å
336	D	94.8	Very high	97.5	Very high	167 Å²	167	74.2 Å²	74.2	89%	0.893	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	31.6	173.1	-58.5	-36.8	0	0	0	116.4
337	C	97.8	Very high	97.6	Very high	38 Å²	38	74 Å²	74	26%	0.257	38%	0.379	S	S	.	.			trans	-72.3	131.5	175	-62.3	0	0	0	0	112.4	V317 C321 K334 E335	V317-C337 HydrophobicContact CB-CB 4.27Å; V317-C337 HydrophobicContact CG1-CB 3.81Å; C321-C337 HydrophobicContact CB-CB 3.77Å; C321-C337 WeakPolarHBondContact CB-SG 3.04Å; C321-C337 WeakPolarHBondContact SG-CB 3.2Å; C321-C337 CovalentContact SG-SG 2.01Å; C321-C337 PolarHBondContact SG-SG 3Å; K334-C337 PolarHBondContact O-SG 2.81Å; E335-C337 VanDerWaalsContact C-N 3.26Å; E335-C337 PolarHBondContact O-N 3.32Å; E335-C337 VanDerWaalsContact O-N 3.15Å
338	F	98.3	Very high	97.6	Very high	101 Å²	101	70.6 Å²	70.6	44%	0.443	36%	0.358	S	S	.	.			trans	-58.8	143.2	169	-177	-89.5	0	0	0	110.8	Y340 K462	F338-Y340 AromaticContact CD1-CD2 3.83Å; F338-Y340 HydrophobicContact CD1-CD2 3.83Å; F338-Y340 HydrophobicContact CD1-CE1 4.43Å; F338-Y340 AromaticContact CD1-CE2 3.66Å; F338-Y340 HydrophobicContact CD1-CE2 3.66Å; F338-Y340 HydrophobicContact CD1-CG 4.29Å; F338-Y340 AromaticContact CE1-CD1 3.88Å; F338-Y340 HydrophobicContact CE1-CD1 3.88Å; F338-Y340 AromaticContact CE1-CD2 3.9Å; F338-Y340 HydrophobicContact CE1-CD2 3.9Å; F338-Y340 AromaticContact CE1-CE1 3.91Å; F338-Y340 HydrophobicContact CE1-CE1 3.91Å; F338-Y340 AromaticContact CE1-CE2 3.93Å; F338-Y340 HydrophobicContact CE1-CE2 3.93Å; F338-Y340 AromaticContact CE1-CG 3.89Å; F338-Y340 HydrophobicContact CE1-CG 3.89Å; F338-Y340 AromaticContact CE1-CZ 3.95Å; F338-K462 HydrophobicContact CD1-CD 4.29Å; F338-K462 HydrophobicContact CD1-CG 4.15Å; F338-K462 HydrophobicContact CE1-CD 4.18Å; F338-K462 HydrophobicContact CE1-CG 3.54Å; F338-K462 HydrophobicContact CE2-CG 4Å; F338-K462 VanDerWaalsContact CG-CE 3.48Å; F338-K462 HydrophobicContact CZ-CD 4.37Å; F338-K462 HydrophobicContact CZ-CG 3.46Å; F338-K462 VanDerWaalsContact CZ-CG 3.46Å
339	R	98.6	Very high	97.6	Very high	52 Å²	52	67.6 Å²	67.6	20%	0.196	35%	0.348	C	S	.	.			trans	-120.4	126.9	179	-54.1	-166.1	74.8	95.8	-1.5	110.9	E287 F314 G315 L316 V317 Y341	E287-R339 IonicContact OE1-CZ 3.34Å; E287-R339 IonicContact OE1-NH1 3.41Å; E287-R339 IonicContact OE1-NH2 2.73Å; E287-R339 PolarHBondContact OE1-NH2 3.25Å; E287-R339 IonicContact OE2-NH2 3.95Å; F314-R339 WeakPolarHBondContact O-CD 3.45Å; F314-R339 PolarHBondContact O-NE 3.1Å; G315-R339 PolarHBondContact O-NE 2.83Å; G315-R339 PolarHBondContact O-NH2 3.4Å; L316-R339 CarbonylContact O-C 3.57Å; L316-R339 VanDerWaalsContact O-CA 3.31Å; L316-R339 WeakPolarHBondContact O-CA 3.45Å; V317-R339 HydrophobicContact CG1-CG 4.1Å; V317-R339 VanDerWaalsContact CG1-NH1 3.28Å; R339-Y341 HydrophobicContact CB-CE2 3.85Å; R339-Y341 WeakPolarHBondContact O-CD2 3.17Å; R339-Y341 WeakPolarHBondContact O-CE2 3.2Å
340	Y	98.8	Very high	97.5	Very high	8 Å²	8	68.8 Å²	68.8	3%	0.031	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-86.5	133.5	172.3	-66	-95.7	0	0	0	109.6	I271 P281 L283 G315 L316 E318 F338 K462	I271-Y340 HydrophobicContact CD1-CD1 3.68Å; I271-Y340 HydrophobicContact CD1-CE1 4Å; I271-Y340 HydrophobicContact CD1-CG 4.31Å; P281-Y340 HydrophobicContact CB-CE2 4.21Å; P281-Y340 WeakPolarHBondContact CB-OH 3.43Å; P281-Y340 HydrophobicContact CG-CE1 4.13Å; L283-Y340 HydrophobicContact CD2-CD2 3.41Å; L283-Y340 VanDerWaalsContact CD2-CD2 3.41Å; L283-Y340 HydrophobicContact CD2-CE2 3.79Å; L283-Y340 HydrophobicContact CD2-CG 4Å; G315-Y340 CarbonylContact C-O 3.47Å; G315-Y340 WeakPolarHBondContact CA-O 3.32Å; L316-Y340 PolarHBondContact N-O 3.4Å; L316-Y340 PolarHBondContact O-N 3.03Å; E318-Y340 HydrophobicContact CG-CE2 3.67Å; E318-Y340 WeakPolarHBondContact OE1-CE2 3.26Å; E318-Y340 PolarHBondContact OE1-OH 2.79Å; F338-Y340 AromaticContact CD1-CD2 3.83Å; F338-Y340 HydrophobicContact CD1-CD2 3.83Å; F338-Y340 HydrophobicContact CD1-CE1 4.43Å; F338-Y340 AromaticContact CD1-CE2 3.66Å; F338-Y340 HydrophobicContact CD1-CE2 3.66Å; F338-Y340 HydrophobicContact CD1-CG 4.29Å; F338-Y340 AromaticContact CE1-CD1 3.88Å; F338-Y340 HydrophobicContact CE1-CD1 3.88Å; F338-Y340 AromaticContact CE1-CD2 3.9Å; F338-Y340 HydrophobicContact CE1-CD2 3.9Å; F338-Y340 AromaticContact CE1-CE1 3.91Å; F338-Y340 HydrophobicContact CE1-CE1 3.91Å; F338-Y340 AromaticContact CE1-CE2 3.93Å; F338-Y340 HydrophobicContact CE1-CE2 3.93Å; F338-Y340 AromaticContact CE1-CG 3.89Å; F338-Y340 HydrophobicContact CE1-CG 3.89Å; F338-Y340 AromaticContact CE1-CZ 3.95Å; Y340-K462 HydrophobicContact CE1-CD 4.43Å; Y340-K462 HydrophobicContact CE1-CG 4.04Å; Y340-K462 WeakPolarHBondContact OH-CE 3.34Å; Y340-K462 PolarHBondContact OH-NZ 2.8Å
341	Y	98.9	Very high	97.3	Very high	66 Å²	66	64.5 Å²	64.5	26%	0.259	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	157.3	-178.7	-69.4	-88.7	0	0	0	111.5	R50 A311 Q312 F314 R339 P459 I460	R50-Y341 PolarHBondContact NH1-OH 3.44Å; A311-Y341 VanDerWaalsContact O-CA 3.24Å; A311-Y341 WeakPolarHBondContact O-CA 3.36Å; A311-Y341 VanDerWaalsContact O-CD1 3.27Å; A311-Y341 WeakPolarHBondContact O-CD1 3.24Å; Q312-Y341 WeakPolarHBondContact O-CD1 3.46Å; F314-Y341 VanDerWaalsContact C-CE1 3.45Å; F314-Y341 PolarHBondContact O-OH 3.46Å; R339-Y341 HydrophobicContact CB-CE2 3.85Å; R339-Y341 WeakPolarHBondContact O-CD2 3.17Å; R339-Y341 WeakPolarHBondContact O-CE2 3.2Å; Y341-P459 CarbonylContact O-C 3.58Å; Y341-P459 WeakPolarHBondContact O-CA 3.36Å; Y341-I460 PolarHBondContact O-N 3.08Å
342	S	98.9	Very high	97.1	Very high	2 Å²	2	61.5 Å²	61.5	1%	0.014	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	125.8	169.3	-68.9	0	0	0	0	110.6	A307 A311 Q312 T458	A307-S342 WeakPolarHBondContact O-CB 3.16Å; A307-S342 PolarHBondContact O-OG 3.46Å; A311-S342 VanDerWaalsContact CB-OG 3.32Å; A311-S342 WeakPolarHBondContact CB-OG 3.21Å; A311-S342 PolarHBondContact O-N 3.49Å; Q312-S342 WeakPolarHBondContact CB-O 3.45Å; Q312-S342 WeakPolarHBondContact CG-O 3.37Å; Q312-S342 PolarHBondContact NE2-O 3.31Å; S342-T458 CarbonylContact C-O 3.14Å; S342-T458 VanDerWaalsContact CA-O 3.24Å; S342-T458 WeakPolarHBondContact CA-O 3.41Å
343	S	98.6	Very high	96.8	Very high	65 Å²	65	53.1 Å²	53.1	46%	0.455	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	-29.8	178.5	58.8	0	0	0	0	112.7	Q312 T458	Q312-S343 PolarHBondContact NE2-O 2.89Å; Q312-S343 VanDerWaalsContact NE2-O 3.11Å; S343-T458 PolarHBondContact N-O 3.47Å; S343-T458 PolarHBondContact OG-O 3.06Å
344	E	98.5	Very high	96.7	Very high	77 Å²	77	50.6 Å²	50.6	36%	0.36	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	151.6	-174.9	-165.5	-77.8	142.7	0	0	109.6	H346 A457 T458	E344-H346 VanDerWaalsContact CD-ND1 3.27Å; E344-H346 IonicContact OE1-CE1 3.05Å; E344-H346 IonicContact OE1-CG 2.98Å; E344-H346 IonicContact OE1-ND1 3.93Å; E344-H346 PolarHBondContact OE1-ND1 2.83Å; E344-H346 IonicContact OE2-CE1 3.32Å; E344-H346 PolarHBondContact OE2-CE1 2.75Å; E344-H346 IonicContact OE2-ND1 2.73Å; E344-H346 PolarHBondContact OE2-ND1 3.37Å; E344-A457 CarbonylContact O-C 3.55Å; E344-A457 VanDerWaalsContact O-CA 3.27Å; E344-A457 WeakPolarHBondContact O-CA 3.4Å; E344-T458 PolarHBondContact O-N 2.94Å
345	Y	98.8	Very high	96.7	Very high	12 Å²	12	44.6 Å²	44.6	5%	0.047	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	147.4	173.1	59.2	-86.4	0	0	0	111.4	E93 K100 Y304 G308 K309 Q312 A456	E93-Y345 VanDerWaalsContact CD-OH 3.3Å; E93-Y345 PolarHBondContact OE1-OH 3.29Å; E93-Y345 VanDerWaalsContact OE2-CE2 3.24Å; E93-Y345 WeakPolarHBondContact OE2-CE2 3.2Å; E93-Y345 PolarHBondContact OE2-OH 3.31Å; K100-Y345 PolarHBondContact NZ-OH 3.31Å; K100-Y345 VanDerWaalsContact NZ-OH 3.1Å; Y304-Y345 HydrophobicContact CD1-CE2 4.42Å; Y304-Y345 HydrophobicContact CD2-CD2 4.46Å; Y304-Y345 HydrophobicContact CE1-CD2 4.07Å; Y304-Y345 AromaticContact CE1-CE2 3.69Å; Y304-Y345 HydrophobicContact CE1-CE2 3.69Å; Y304-Y345 HydrophobicContact CE2-CD2 4.02Å; Y304-Y345 HydrophobicContact CE2-CE2 4.34Å; Y304-Y345 AromaticContact CZ-CD2 3.8Å; Y304-Y345 AromaticContact CZ-CE2 3.64Å; G308-Y345 VanDerWaalsContact C-CD1 3.43Å; G308-Y345 VanDerWaalsContact CA-CD1 3.45Å; K309-Y345 HydrophobicContact CB-CE2 4.27Å; Q312-Y345 HydrophobicContact CB-CD1 4.46Å; Q312-Y345 HydrophobicContact CB-CE1 4.09Å; Y345-A456 VanDerWaalsContact CA-O 3.26Å; Y345-A456 WeakPolarHBondContact CA-O 3.28Å
346	H	98.7	Very high	96.7	Very high	48 Å²	48	37.1 Å²	37.1	22%	0.222	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	159.7	179.2	56.1	-85.6	0	0	0	111.5	E344 E363 A456	E344-H346 VanDerWaalsContact CD-ND1 3.27Å; E344-H346 IonicContact OE1-CE1 3.05Å; E344-H346 IonicContact OE1-CG 2.98Å; E344-H346 IonicContact OE1-ND1 3.93Å; E344-H346 PolarHBondContact OE1-ND1 2.83Å; E344-H346 IonicContact OE2-CE1 3.32Å; E344-H346 PolarHBondContact OE2-CE1 2.75Å; E344-H346 IonicContact OE2-ND1 2.73Å; E344-H346 PolarHBondContact OE2-ND1 3.37Å; H346-E363 IonicContact NE2-OE2 2.75Å; H346-A456 PolarHBondContact N-O 3.45Å; H346-A456 PolarHBondContact O-N 2.86Å
347	Y	98.4	Very high	96.9	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.016	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	137.6	158.9	-77.4	-63.6	0	0	0	109	T85 Y304 G349 G350 I453 V455	T85-Y347 HydrophobicContact CG2-CD2 4.09Å; T85-Y347 HydrophobicContact CG2-CE2 4.14Å; T85-Y347 WeakPolarHBondContact OG1-CD2 3.33Å; Y304-Y347 HydrophobicContact CD2-CD1 4.19Å; Y304-Y347 AromaticContact CD2-CD2 3.53Å; Y304-Y347 HydrophobicContact CD2-CD2 3.53Å; Y304-Y347 HydrophobicContact CD2-CE1 4.07Å; Y304-Y347 AromaticContact CD2-CE2 3.41Å; Y304-Y347 HydrophobicContact CD2-CE2 3.41Å; Y304-Y347 VanDerWaalsContact CD2-CE2 3.41Å; Y304-Y347 AromaticContact CD2-CG 3.93Å; Y304-Y347 HydrophobicContact CD2-CG 3.93Å; Y304-Y347 AromaticContact CD2-CZ 3.71Å; Y304-Y347 AromaticContact CE2-CD2 3.65Å; Y304-Y347 HydrophobicContact CE2-CD2 3.65Å; Y304-Y347 AromaticContact CE2-CE2 3.83Å; Y304-Y347 HydrophobicContact CE2-CE2 3.83Å; Y304-Y347 HydrophobicContact CE2-CG 4.27Å; Y304-Y347 HydrophobicContact CG-CD2 4.38Å; Y304-Y347 HydrophobicContact CG-CE1 4.41Å; Y304-Y347 AromaticContact CG-CE2 3.81Å; Y304-Y347 HydrophobicContact CG-CE2 3.81Å; Y304-Y347 AromaticContact CG-CZ 3.83Å; Y347-G349 PolarHBondContact O-N 3.16Å; Y347-G350 WeakPolarHBondContact O-CA 3.42Å; Y347-G350 PolarHBondContact O-N 3.04Å; Y347-I453 HydrophobicContact CD1-CG1 4.1Å; Y347-I453 HydrophobicContact CE1-CD1 4.09Å; Y347-I453 HydrophobicContact CE1-CG1 3.42Å; Y347-I453 VanDerWaalsContact CE1-CG1 3.42Å; Y347-V455 HydrophobicContact CD1-CG2 3.51Å; Y347-V455 HydrophobicContact CE1-CG2 3.38Å
348	V	97.8	Very high	96.8	Very high	3 Å²	3	30.2 Å²	30.2	2%	0.018	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	125.7	173.3	176.9	0	0	0	0	108.8	G354 C355 L359 M360 E363 L370 A454	V348-G354 CarbonylContact O-C 3.59Å; V348-C355 VanDerWaalsContact O-CA 3.25Å; V348-C355 WeakPolarHBondContact O-CA 3.48Å; V348-C355 PolarHBondContact O-N 3.43Å; V348-L359 HydrophobicContact CG1-CB 3.52Å; V348-M360 HydrophobicContact CG1-CG 4.15Å; V348-E363 HydrophobicContact CG2-CB 4.45Å; V348-E363 HydrophobicContact CG2-CG 4.2Å; V348-L370 HydrophobicContact CG2-CD1 4.23Å; V348-A454 HydrophobicContact CB-CB 3.94Å; V348-A454 HydrophobicContact CG2-CB 3.63Å; V348-A454 PolarHBondContact N-O 3.03Å
349	G	95.3	Very high	96.8	Very high	26 Å²	26	26.7 Å²	26.7	27%	0.268	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.7	5.2	-170.2	0	0	0	0	0	115.2	Y347 F351	Y347-G349 PolarHBondContact O-N 3.16Å; G349-F351 PolarHBondContact O-N 3.3Å
350	G	95.2	Very high	96.9	Very high	49 Å²	49	24.2 Å²	24.2	51%	0.505	14%	0.142	S	C	.	.	S	Bend	trans	95.5	-33.5	171.2	0	0	0	0	0	114.4	Y347	Y347-G350 WeakPolarHBondContact O-CA 3.42Å; Y347-G350 PolarHBondContact O-N 3.04Å
351	F	94.4	Very high	96.8	Very high	19 Å²	19	25.1 Å²	25.1	8%	0.083	15%	0.146	C	C	.	.	S	Bend	trans	-150.3	164.4	-178.3	59.2	-89.1	0	0	0	111.1	L71 D72 P215 G349 G353 G354	L71-F351 HydrophobicContact CB-CE1 4.29Å; L71-F351 HydrophobicContact CB-CE2 4.41Å; L71-F351 HydrophobicContact CB-CZ 3.96Å; L71-F351 HydrophobicContact CD1-CZ 4.18Å; D72-F351 HydrophobicContact CB-CB 4.17Å; D72-F351 HydrophobicContact CB-CD1 3.82Å; D72-F351 HydrophobicContact CB-CE1 4.49Å; D72-F351 HydrophobicContact CB-CG 4.04Å; P215-F351 HydrophobicContact CB-CE2 4.31Å; G349-F351 PolarHBondContact O-N 3.3Å; F351-G353 PolarHBondContact O-N 3.3Å; F351-G354 PolarHBondContact O-N 3.33Å
352	Y	94.1	Very high	96.8	Very high	10 Å²	10	22.8 Å²	22.8	4%	0.039	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	122.9	176.8	176.8	-104.7	0	0	0	111.6	T85 I86 Y88 P215 I453	T85-Y352 PolarHBondContact OG1-N 2.99Å; I86-Y352 HydrophobicContact CG2-CD1 3.45Å; I86-Y352 VanDerWaalsContact CG2-CD1 3.45Å; I86-Y352 HydrophobicContact CG2-CE1 4.35Å; I86-Y352 HydrophobicContact CG2-CG 4.08Å; I86-Y352 WeakPolarHBondContact O-CB 3.08Å; Y88-Y352 HydrophobicContact CD2-CE2 4.18Å; Y88-Y352 AromaticContact CD2-CZ 3.91Å; Y88-Y352 WeakPolarHBondContact CD2-OH 3.48Å; P215-Y352 WeakPolarHBondContact CG-O 3.36Å; Y352-I453 HydrophobicContact CD2-CB 4.43Å; Y352-I453 HydrophobicContact CD2-CD1 4Å; Y352-I453 HydrophobicContact CD2-CG1 3.89Å; Y352-I453 HydrophobicContact CE2-CB 4.1Å; Y352-I453 HydrophobicContact CE2-CD1 3.72Å; Y352-I453 HydrophobicContact CE2-CG1 3.86Å
353	G	90.7	Very high	96.8	Very high	5 Å²	5	23.8 Å²	23.8	5%	0.052	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.1	-9.2	-173.2	0	0	0	0	0	114.3	K216 P217 F351 C355	K216-G353 CarbonylContact C-O 3.53Å; K216-G353 VanDerWaalsContact C-O 3.23Å; K216-G353 VanDerWaalsContact O-O 3.07Å; P217-G353 WeakPolarHBondContact CA-O 3.14Å; F351-G353 PolarHBondContact O-N 3.3Å; G353-C355 VanDerWaalsContact C-N 3.31Å
354	G	93.6	Very high	96.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.121	C	C	.	.			trans	-78.1	-12.7	172.5	0	0	0	0	0	114.3	A218 V348 F351	A218-G354 VanDerWaalsContact CB-O 3.24Å; A218-G354 WeakPolarHBondContact CB-O 3.36Å; A218-G354 PolarHBondContact N-O 2.85Å; V348-G354 CarbonylContact O-C 3.59Å; F351-G354 PolarHBondContact O-N 3.33Å
355	C	95.7	Very high	96.8	Very high	7 Å²	7	17.8 Å²	17.8	5%	0.047	11%	0.108	C	C	.	.			trans	-65	143.7	-173.2	-166.3	0	0	0	0	112.8	P217 V348 G353 E451 A454	P217-C355 WeakPolarHBondContact CB-O 3.4Å; V348-C355 VanDerWaalsContact O-CA 3.25Å; V348-C355 WeakPolarHBondContact O-CA 3.48Å; V348-C355 PolarHBondContact O-N 3.43Å; G353-C355 VanDerWaalsContact C-N 3.31Å; C355-E451 CarbonylContact C-O 3.43Å; C355-E451 WeakPolarHBondContact CB-O 3.34Å; C355-E451 PolarHBondContact SG-O 3.36Å; C355-A454 VanDerWaalsContact SG-CB 3.54Å
356	N	95.5	Very high	96.8	Very high	21 Å²	21	23 Å²	23	11%	0.112	13%	0.129	C	C	.	.			trans	-157.2	163.1	171.2	62.3	63.8	0	0	0	110.5	P217 A218 A358 L359 M360	P217-N356 HydrophobicContact CB-CB 4.27Å; A218-N356 PolarHBondContact O-ND2 3.43Å; A218-N356 VanDerWaalsContact O-ND2 3.1Å; N356-A358 VanDerWaalsContact C-N 3.3Å; N356-A358 PolarHBondContact O-N 3.13Å; N356-A358 WeakPolarHBondContact OD1-CB 3.46Å; N356-A358 PolarHBondContact OD1-N 3.32Å; N356-A358 VanDerWaalsContact OD1-N 3.16Å; N356-L359 WeakPolarHBondContact ND2-CD1 3.24Å; N356-L359 PolarHBondContact O-N 3.39Å; N356-L359 WeakPolarHBondContact OD1-CG 3.48Å; N356-L359 PolarHBondContact OD1-N 3.11Å; N356-M360 VanDerWaalsContact O-CG 3.3Å; N356-M360 WeakPolarHBondContact O-CG 3.14Å; N356-M360 PolarHBondContact O-N 3.45Å
357	E	97.4	Very high	96.8	Very high	48 Å²	48	25.6 Å²	25.6	22%	0.224	14%	0.141	C	C	.	.	H	α-helix	trans	-49.5	-49.1	-179.8	-171.9	-151.9	163	0	0	113.1	L359 M360 K361 W423 R443 G444	E357-L359 PolarHBondContact O-N 3.09Å; E357-M360 WeakPolarHBondContact O-CB 3.1Å; E357-M360 PolarHBondContact O-N 3.01Å; E357-K361 WeakPolarHBondContact O-CG 3.08Å; E357-K361 PolarHBondContact O-N 3.15Å; E357-W423 HydrophobicContact CB-CZ2 4.44Å; E357-W423 HydrophobicContact CG-CH2 4.35Å; E357-W423 HydrophobicContact CG-CZ2 3.66Å; E357-R443 HydrophobicContact CG-CG 3.69Å; E357-R443 WeakPolarHBondContact OE1-CD 3.35Å; E357-R443 WeakPolarHBondContact OE1-CG 3.48Å; E357-R443 IonicContact OE1-CZ 3.8Å; E357-R443 IonicContact OE1-NE 3.86Å; E357-R443 IonicContact OE1-NH1 2.69Å; E357-R443 PolarHBondContact OE1-NH1 3.09Å; E357-G444 VanDerWaalsContact OE2-CA 3.24Å; E357-G444 WeakPolarHBondContact OE2-CA 3.45Å
358	A	97.6	Very high	96.8	Very high	11 Å²	11	25.4 Å²	25.4	9%	0.091	14%	0.14	C	C	.	.	H	α-helix	trans	-61.5	-46.4	-174.2	0	0	0	0	0	112.4	L220 I228 N356 K361 L362	L220-A358 HydrophobicContact CD1-CB 4.02Å; L220-A358 HydrophobicContact CD2-CB 3.48Å; L220-A358 VanDerWaalsContact CD2-CB 3.48Å; L220-A358 HydrophobicContact CG-CB 4.42Å; I228-A358 HydrophobicContact CD1-CB 3.31Å; I228-A358 HydrophobicContact CG1-CB 4.35Å; N356-A358 VanDerWaalsContact C-N 3.3Å; N356-A358 PolarHBondContact O-N 3.13Å; N356-A358 WeakPolarHBondContact OD1-CB 3.46Å; N356-A358 PolarHBondContact OD1-N 3.32Å; N356-A358 VanDerWaalsContact OD1-N 3.16Å; A358-K361 PolarHBondContact O-N 2.91Å; A358-L362 WeakPolarHBondContact O-CG 3.35Å; A358-L362 PolarHBondContact O-N 3.33Å
359	L	98.2	Very high	96.9	Very high	27 Å²	27	25.2 Å²	25.2	14%	0.141	14%	0.139	C	C	.	.	H	α-helix	trans	-67.8	-37.5	175.8	-69	178.5	0	0	0	111.8	A218 I224 V348 N356 E357 L362 E363	A218-L359 HydrophobicContact CB-CD1 4.16Å; I224-L359 HydrophobicContact CD1-CD2 3.81Å; I224-L359 HydrophobicContact CG1-CD2 4.27Å; I224-L359 HydrophobicContact CG2-CD2 4.27Å; V348-L359 HydrophobicContact CG1-CB 3.52Å; N356-L359 WeakPolarHBondContact ND2-CD1 3.24Å; N356-L359 PolarHBondContact O-N 3.39Å; N356-L359 WeakPolarHBondContact OD1-CG 3.48Å; N356-L359 PolarHBondContact OD1-N 3.11Å; E357-L359 PolarHBondContact O-N 3.09Å; L359-L362 HydrophobicContact CD2-CD1 4.34Å; L359-L362 PolarHBondContact O-N 2.86Å; L359-E363 WeakPolarHBondContact O-CB 3.45Å; L359-E363 PolarHBondContact O-N 2.68Å
360	M	98.8	Very high	97.1	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-62.4	-42.2	174.4	-69.3	166.3	64.6	0	0	111.8	V348 N356 E357 L362 L364 L370 V372 L409 W423 E451 A454	V348-M360 HydrophobicContact CG1-CG 4.15Å; N356-M360 VanDerWaalsContact O-CG 3.3Å; N356-M360 WeakPolarHBondContact O-CG 3.14Å; N356-M360 PolarHBondContact O-N 3.45Å; E357-M360 WeakPolarHBondContact O-CB 3.1Å; E357-M360 PolarHBondContact O-N 3.01Å; M360-L362 VanDerWaalsContact C-N 3.35Å; M360-L362 PolarHBondContact O-N 3.06Å; M360-L364 WeakPolarHBondContact O-CB 3.39Å; M360-L364 PolarHBondContact O-N 2.59Å; M360-L370 HydrophobicContact CB-CD1 4.3Å; M360-V372 HydrophobicContact CE-CG1 4.03Å; M360-L409 HydrophobicContact CE-CD2 3.71Å; M360-W423 HydrophobicContact CB-CH2 3.94Å; M360-W423 HydrophobicContact CB-CZ2 4.14Å; M360-W423 HydrophobicContact CE-CZ2 4.07Å; M360-E451 HydrophobicContact CE-CG 4.2Å; M360-E451 VanDerWaalsContact SD-CA 3.52Å; M360-E451 HydrophobicContact SD-CB 3.79Å; M360-E451 HydrophobicContact SD-CG 3.87Å; M360-A454 HydrophobicContact CE-CB 4.28Å; M360-A454 HydrophobicContact CG-CB 3.8Å; M360-A454 HydrophobicContact SD-CB 4.16Å
361	K	98.8	Very high	97.2	Very high	28 Å²	28	21.7 Å²	21.7	12%	0.122	10%	0.102	C	C	.	.	H	α-helix	trans	-60.5	-44.5	175.6	-69.4	-178.5	67.6	179.5	0	111.6	L231 E357 A358 V365 Y412 W423	L231-K361 HydrophobicContact CD1-CB 3.73Å; E357-K361 WeakPolarHBondContact O-CG 3.08Å; E357-K361 PolarHBondContact O-N 3.15Å; A358-K361 PolarHBondContact O-N 2.91Å; K361-V365 VanDerWaalsContact O-CG2 3.32Å; K361-V365 WeakPolarHBondContact O-CG2 3.34Å; K361-V365 PolarHBondContact O-N 2.88Å; K361-Y412 HydrophobicContact CB-CE1 4.31Å; K361-Y412 VanDerWaalsContact CE-CE2 3.47Å; K361-Y412 HydrophobicContact CG-CD1 4.33Å; K361-Y412 HydrophobicContact CG-CE1 4.24Å; K361-W423 HydrophobicContact CB-CH2 4.4Å; K361-W423 HydrophobicContact CD-CH2 4.5Å; K361-W423 HydrophobicContact CG-CH2 3.42Å; K361-W423 VanDerWaalsContact CG-CH2 3.42Å; K361-W423 HydrophobicContact CG-CZ2 4.36Å; K361-W423 HydrophobicContact CG-CZ3 3.98Å
362	L	98.5	Very high	97.4	Very high	16 Å²	16	20.8 Å²	20.8	8%	0.084	10%	0.099	C	C	.	.	H	α-helix	trans	-61.8	-53	179.2	-73.7	168.7	0	0	0	111.3	I224 K227 I228 L231 A358 L359 M360 L364 V365 Y366	I224-L362 HydrophobicContact CG2-CD1 3.91Å; K227-L362 HydrophobicContact CB-CD1 4.48Å; K227-L362 HydrophobicContact CB-CD2 3.57Å; I228-L362 HydrophobicContact CD1-CD1 4.47Å; I228-L362 HydrophobicContact CG1-CD1 4.03Å; I228-L362 HydrophobicContact CG1-CD2 4.26Å; I228-L362 HydrophobicContact CG1-CG 4.04Å; L231-L362 HydrophobicContact CD1-CD2 3.87Å; L231-L362 HydrophobicContact CD1-CG 4.16Å; L231-L362 HydrophobicContact CD2-CD2 4.21Å; L231-L362 HydrophobicContact CG-CD2 4.14Å; A358-L362 WeakPolarHBondContact O-CG 3.35Å; A358-L362 PolarHBondContact O-N 3.33Å; L359-L362 HydrophobicContact CD2-CD1 4.34Å; L359-L362 PolarHBondContact O-N 2.86Å; M360-L362 VanDerWaalsContact C-N 3.35Å; M360-L362 PolarHBondContact O-N 3.06Å; L362-L364 VanDerWaalsContact C-N 3.31Å; L362-L364 PolarHBondContact O-N 3.17Å; L362-V365 PolarHBondContact O-N 2.86Å; L362-Y366 HydrophobicContact CB-CD2 4.46Å; L362-Y366 HydrophobicContact CD2-CD2 4.26Å; L362-Y366 HydrophobicContact CD2-CE2 3.65Å; L362-Y366 WeakPolarHBondContact O-CB 3.19Å; L362-Y366 VanDerWaalsContact O-CD2 3.24Å; L362-Y366 WeakPolarHBondContact O-CD2 3.01Å; L362-Y366 PolarHBondContact O-N 2.95Å
363	E	98.8	Very high	97.5	Very high	23 Å²	23	21.1 Å²	21.1	11%	0.107	10%	0.104	C	C	.	.	H	α-helix	trans	-61	-42.9	-179.7	-178.3	62.3	-150	0	0	110.9	R270 H346 V348 L359 V365 H367 G368 L370 A456	R270-E363 IonicContact CZ-OE1 2.94Å; R270-E363 IonicContact NH1-OE1 3.95Å; R270-E363 PolarHBondContact NH1-OE1 3.21Å; R270-E363 IonicContact NH2-OE1 2.76Å; R270-E363 PolarHBondContact NH2-OE1 2.54Å; H346-E363 IonicContact NE2-OE2 2.75Å; V348-E363 HydrophobicContact CG2-CB 4.45Å; V348-E363 HydrophobicContact CG2-CG 4.2Å; L359-E363 WeakPolarHBondContact O-CB 3.45Å; L359-E363 PolarHBondContact O-N 2.68Å; E363-V365 PolarHBondContact O-N 2.94Å; E363-H367 WeakPolarHBondContact O-CA 3.4Å; E363-H367 WeakPolarHBondContact O-CB 3.37Å; E363-H367 PolarHBondContact O-N 2.93Å; E363-H367 VanDerWaalsContact OE1-CB 3.24Å; E363-H367 WeakPolarHBondContact OE1-CB 3.31Å; E363-H367 IonicContact OE1-CD2 3.66Å; E363-H367 IonicContact OE1-CG 3.19Å; E363-H367 IonicContact OE2-CD2 3.66Å; E363-H367 PolarHBondContact OE2-CD2 2.92Å; E363-H367 VanDerWaalsContact OE2-CD2 3.24Å; E363-G368 PolarHBondContact O-N 2.97Å; E363-L370 HydrophobicContact CB-CD1 4.13Å; E363-L370 HydrophobicContact CB-CD2 4.21Å; E363-L370 HydrophobicContact CG-CD1 4.07Å; E363-L370 HydrophobicContact CG-CD2 3.34Å; E363-L370 HydrophobicContact CG-CG 4.34Å; E363-A456 HydrophobicContact CG-CB 3.94Å; E363-A456 VanDerWaalsContact OE1-CB 3.24Å; E363-A456 WeakPolarHBondContact OE1-CB 3.35Å
364	L	98.9	Very high	97.8	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-61.3	-46.5	179	179.3	64.3	0	0	0	112.7	W237 M360 L362 G368 L370 L409 Y412 W423	W237-L364 PolarHBondContact NE1-O 2.8Å; M360-L364 WeakPolarHBondContact O-CB 3.39Å; M360-L364 PolarHBondContact O-N 2.59Å; L362-L364 VanDerWaalsContact C-N 3.31Å; L362-L364 PolarHBondContact O-N 3.17Å; L364-G368 WeakPolarHBondContact CA-O 3.2Å; L364-G368 CarbonylContact O-C 3.54Å; L364-G368 WeakPolarHBondContact O-CA 2.9Å; L364-G368 PolarHBondContact O-N 3.4Å; L364-G368 VanDerWaalsContact O-N 3.15Å; L364-L370 HydrophobicContact CB-CD1 4.33Å; L364-L409 HydrophobicContact CD2-CD2 4.17Å; L364-L409 HydrophobicContact CD2-CG 4.15Å; L364-Y412 HydrophobicContact CD2-CD1 3.84Å; L364-Y412 HydrophobicContact CD2-CE1 4.31Å; L364-W423 HydrophobicContact CD2-CZ3 4.08Å
365	V	98.8	Very high	97.9	Very high	16 Å²	16	22.5 Å²	22.5	10%	0.097	11%	0.108	C	C	.	.	H	α-helix	trans	-73.6	-42.2	-177.5	175.2	0	0	0	0	111.5	L231 W235 K361 L362 E363 Y412	L231-V365 HydrophobicContact CD2-CB 3.91Å; L231-V365 HydrophobicContact CD2-CG1 3.93Å; L231-V365 HydrophobicContact CD2-CG2 4.12Å; W235-V365 HydrophobicContact CB-CG2 4.12Å; W235-V365 HydrophobicContact CD2-CG1 4.24Å; W235-V365 HydrophobicContact CD2-CG2 4.06Å; W235-V365 HydrophobicContact CE3-CG1 4.3Å; W235-V365 HydrophobicContact CG-CG2 3.87Å; W235-V365 HydrophobicContact CH2-CG1 4.27Å; W235-V365 HydrophobicContact CZ2-CG1 4.25Å; W235-V365 HydrophobicContact CZ3-CG1 4.29Å; K361-V365 VanDerWaalsContact O-CG2 3.32Å; K361-V365 WeakPolarHBondContact O-CG2 3.34Å; K361-V365 PolarHBondContact O-N 2.88Å; L362-V365 PolarHBondContact O-N 2.86Å; E363-V365 PolarHBondContact O-N 2.94Å; V365-Y412 HydrophobicContact CG2-CE1 3.68Å; V365-Y412 WeakPolarHBondContact CG2-OH 3.04Å
366	Y	98.3	Very high	97.8	Very high	123 Å²	123	22.1 Å²	22.1	48%	0.482	11%	0.106	S	C	.	.	H	α-helix	trans	-81.9	-30.1	-174.9	-69.4	-52	0	0	0	114.1	L231 L362	L231-Y366 HydrophobicContact CD2-CE2 4.16Å; L362-Y366 HydrophobicContact CB-CD2 4.46Å; L362-Y366 HydrophobicContact CD2-CD2 4.26Å; L362-Y366 HydrophobicContact CD2-CE2 3.65Å; L362-Y366 WeakPolarHBondContact O-CB 3.19Å; L362-Y366 VanDerWaalsContact O-CD2 3.24Å; L362-Y366 WeakPolarHBondContact O-CD2 3.01Å; L362-Y366 PolarHBondContact O-N 2.95Å
367	H	98.7	Very high	97.7	Very high	101 Å²	101	23.8 Å²	23.8	47%	0.468	11%	0.111	S	C	.	.	H	α-helix	trans	-126.4	-7.5	-168.9	-59.8	-60.7	0	0	0	114.4	R270 E363	R270-H367 WeakPolarHBondContact CG-O 3.47Å; R270-H367 PolarHBondContact NE-O 2.75Å; E363-H367 WeakPolarHBondContact O-CA 3.4Å; E363-H367 WeakPolarHBondContact O-CB 3.37Å; E363-H367 PolarHBondContact O-N 2.93Å; E363-H367 VanDerWaalsContact OE1-CB 3.24Å; E363-H367 WeakPolarHBondContact OE1-CB 3.31Å; E363-H367 IonicContact OE1-CD2 3.66Å; E363-H367 IonicContact OE1-CG 3.19Å; E363-H367 IonicContact OE2-CD2 3.66Å; E363-H367 PolarHBondContact OE2-CD2 2.92Å; E363-H367 VanDerWaalsContact OE2-CD2 3.24Å
368	G	98.8	Very high	97.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.105	C	C	.	.			trans	104.4	-177.5	175.5	0	0	0	0	0	114.5	R270 I273 E363 L364 L370	R270-G368 PolarHBondContact NH2-O 3.42Å; I273-G368 VanDerWaalsContact CD1-CA 3.48Å; E363-G368 PolarHBondContact O-N 2.97Å; L364-G368 WeakPolarHBondContact CA-O 3.2Å; L364-G368 CarbonylContact O-C 3.54Å; L364-G368 WeakPolarHBondContact O-CA 2.9Å; L364-G368 PolarHBondContact O-N 3.4Å; L364-G368 VanDerWaalsContact O-N 3.15Å; G368-L370 WeakPolarHBondContact O-CD2 3.41Å
369	P	98.9	Very high	97.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.1	C	C	.	.			trans	-49	151.7	-178.9	-33.3	40.9	0	0	0	114.9	W237 M266 A269 R270 L408 L409 V410	W237-P369 HydrophobicContact CB-CG 4.06Å; W237-P369 HydrophobicContact CG-CG 3.92Å; M266-P369 WeakPolarHBondContact CG-O 3.39Å; A269-P369 HydrophobicContact CB-CB 4.24Å; A269-P369 HydrophobicContact CB-CG 3.68Å; R270-P369 PolarHBondContact NE-O 2.96Å; R270-P369 PolarHBondContact NH2-O 3.06Å; P369-L408 HydrophobicContact CB-CD1 3.8Å; P369-L408 HydrophobicContact CB-CD2 4.14Å; P369-L408 HydrophobicContact CB-CG 3.98Å; P369-L409 CarbonylContact C-O 3.51Å; P369-L409 WeakPolarHBondContact CA-O 3.48Å; P369-L409 VanDerWaalsContact CB-O 3.28Å; P369-L409 WeakPolarHBondContact CB-O 3.46Å; P369-V410 HydrophobicContact CB-CG1 4.25Å; P369-V410 HydrophobicContact CG-CG1 4.25Å
370	L	98.8	Very high	97.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	138.3	-176.4	-48.1	179.3	0	0	0	111.5	V348 M360 E363 L364 G368 V372 L408 L409 A454 A456	V348-L370 HydrophobicContact CG2-CD1 4.23Å; M360-L370 HydrophobicContact CB-CD1 4.3Å; E363-L370 HydrophobicContact CB-CD1 4.13Å; E363-L370 HydrophobicContact CB-CD2 4.21Å; E363-L370 HydrophobicContact CG-CD1 4.07Å; E363-L370 HydrophobicContact CG-CD2 3.34Å; E363-L370 HydrophobicContact CG-CG 4.34Å; L364-L370 HydrophobicContact CB-CD1 4.33Å; G368-L370 WeakPolarHBondContact O-CD2 3.41Å; L370-V372 HydrophobicContact CB-CG1 4.3Å; L370-V372 PolarHBondContact O-N 3.06Å; L370-L408 CarbonylContact O-C 3.51Å; L370-L409 HydrophobicContact CB-CB 4.29Å; L370-L409 HydrophobicContact CD1-CD2 4.23Å; L370-L409 PolarHBondContact N-O 3.4Å; L370-L409 PolarHBondContact O-N 3.25Å; L370-A454 HydrophobicContact CD1-CB 4.48Å; L370-A456 HydrophobicContact CD2-CB 4.28Å
371	S	98.8	Very high	97	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	125.4	163.9	-69	0	0	0	0	108.7	A262 A454 V455	A262-S371 VanDerWaalsContact C-OG 3.27Å; A262-S371 PolarHBondContact O-OG 3.46Å; A262-S371 VanDerWaalsContact O-OG 3.08Å; S371-A454 CarbonylContact O-C 3.48Å; S371-A454 WeakPolarHBondContact O-CA 3.44Å; S371-V455 PolarHBondContact N-O 3.37Å; S371-V455 PolarHBondContact O-N 2.92Å
372	V	98.6	Very high	96.9	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.006	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	163.8	175.4	-59.9	0	0	0	0	108.9	M360 L370 A406 V407 L409 I450 A454	M360-V372 HydrophobicContact CE-CG1 4.03Å; L370-V372 HydrophobicContact CB-CG1 4.3Å; L370-V372 PolarHBondContact O-N 3.06Å; V372-A406 CarbonylContact O-C 3.52Å; V372-A406 WeakPolarHBondContact O-CA 3.47Å; V372-V407 HydrophobicContact CG2-CG2 3.71Å; V372-V407 PolarHBondContact N-O 3.19Å; V372-V407 PolarHBondContact O-N 3.22Å; V372-V407 VanDerWaalsContact O-O 3.07Å; V372-L409 HydrophobicContact CG1-CB 3.88Å; V372-L409 HydrophobicContact CG1-CD2 4.29Å; V372-L409 HydrophobicContact CG2-CB 4.18Å; V372-I450 HydrophobicContact CB-CD1 4.25Å; V372-I450 HydrophobicContact CG2-CD1 3.54Å; V372-I450 HydrophobicContact CG2-CG1 4.42Å; V372-A454 HydrophobicContact CG1-CB 3.83Å
373	A	96.5	Very high	96.9	Very high	17 Å²	17	18.6 Å²	18.6	14%	0.14	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	153.3	166.6	0	0	0	0	0	110.2	H405 I453	A373-H405 WeakPolarHBondContact CA-O 3.27Å; A373-H405 WeakPolarHBondContact CB-O 3.38Å; A373-I453 HydrophobicContact CB-CG2 3.59Å
374	F	96.7	Very high	96.9	Very high	3 Å²	3	21.2 Å²	21.2	1%	0.013	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	166.1	178.2	73.3	-68.6	0	0	0	110	V376 F380 N404 H405 V407 F439 I441 C448 I450	F374-V376 HydrophobicContact CD2-CG2 4.48Å; F374-V376 HydrophobicContact CE1-CG2 4.22Å; F374-V376 HydrophobicContact CE2-CG2 3.7Å; F374-V376 HydrophobicContact CZ-CG2 3.52Å; F374-F380 HydrophobicContact CE1-CZ 4.48Å; F374-F380 HydrophobicContact CE2-CD1 4.01Å; F374-F380 AromaticContact CE2-CD2 3.98Å; F374-F380 HydrophobicContact CE2-CD2 3.98Å; F374-F380 AromaticContact CE2-CE1 3.89Å; F374-F380 HydrophobicContact CE2-CE1 3.89Å; F374-F380 AromaticContact CE2-CE2 3.83Å; F374-F380 HydrophobicContact CE2-CE2 3.83Å; F374-F380 HydrophobicContact CE2-CG 4.05Å; F374-F380 AromaticContact CE2-CZ 3.76Å; F374-F380 HydrophobicContact CE2-CZ 3.76Å; F374-F380 AromaticContact CZ-CD1 3.93Å; F374-F380 HydrophobicContact CZ-CD1 3.93Å; F374-F380 HydrophobicContact CZ-CD2 4.44Å; F374-F380 AromaticContact CZ-CE1 3.41Å; F374-F380 HydrophobicContact CZ-CE1 3.41Å; F374-F380 VanDerWaalsContact CZ-CE1 3.41Å; F374-F380 AromaticContact CZ-CE2 3.96Å; F374-F380 HydrophobicContact CZ-CE2 3.96Å; F374-F380 HydrophobicContact CZ-CG 4.41Å; F374-F380 AromaticContact CZ-CZ 3.4Å; F374-F380 HydrophobicContact CZ-CZ 3.4Å; F374-N404 WeakPolarHBondContact O-CA 3.36Å; F374-H405 HydrophobicContact CD1-CB 4.43Å; F374-H405 WeakPolarHBondContact CD1-O 3.07Å; F374-H405 HydrophobicContact CE1-CB 3.96Å; F374-H405 AromaticContact CE1-CD2 3.8Å; F374-H405 HydrophobicContact CZ-CB 4.4Å; F374-H405 PolarHBondContact N-O 3.38Å; F374-H405 VanDerWaalsContact N-O 3.1Å; F374-H405 PolarHBondContact O-N 3.05Å; F374-V407 HydrophobicContact CD1-CG2 3.77Å; F374-V407 HydrophobicContact CE1-CB 4.49Å; F374-V407 HydrophobicContact CE1-CG1 3.87Å; F374-V407 HydrophobicContact CE1-CG2 3.77Å; F374-F439 HydrophobicContact CD1-CZ 4.43Å; F374-F439 AromaticContact CE1-CZ 3.83Å; F374-F439 HydrophobicContact CE1-CZ 3.83Å; F374-F439 HydrophobicContact CZ-CE2 4.42Å; F374-F439 AromaticContact CZ-CZ 3.89Å; F374-F439 HydrophobicContact CZ-CZ 3.89Å; F374-I441 HydrophobicContact CD2-CD1 4.34Å; F374-C448 CarbonylContact C-O 3.56Å; F374-C448 VanDerWaalsContact CA-O 3.24Å; F374-C448 WeakPolarHBondContact CA-O 3.41Å; F374-C448 HydrophobicContact CB-CB 4.37Å; F374-C448 VanDerWaalsContact CB-O 3.29Å; F374-C448 WeakPolarHBondContact CB-O 3.46Å; F374-C448 HydrophobicContact CD2-CB 4.14Å; F374-I450 HydrophobicContact CB-CB 3.99Å; F374-I450 HydrophobicContact CB-CD1 3.65Å; F374-I450 HydrophobicContact CB-CG1 4.4Å; F374-I450 HydrophobicContact CD1-CD1 4.01Å; F374-I450 HydrophobicContact CG-CD1 4Å
375	E	94.9	Very high	96.9	Very high	30 Å²	30	24.3 Å²	24.3	14%	0.14	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	120.2	176.3	-63.8	-169.7	148.3	0	0	110.6	S209 Y377 L402 T403 C448 A449	S209-E375 PolarHBondContact OG-OE1 2.85Å; E375-Y377 HydrophobicContact CB-CD2 4.31Å; E375-Y377 HydrophobicContact CB-CE2 3.68Å; E375-Y377 PolarHBondContact OE2-OH 3.18Å; E375-L402 HydrophobicContact CB-CD1 3.8Å; E375-L402 HydrophobicContact CB-CG 4.4Å; E375-L402 HydrophobicContact CG-CD1 4.5Å; E375-T403 CarbonylContact C-O 3.57Å; E375-T403 VanDerWaalsContact CA-O 3.23Å; E375-T403 WeakPolarHBondContact CA-O 3.43Å; E375-C448 HydrophobicContact CB-CB 4.21Å; E375-C448 PolarHBondContact N-O 2.71Å; E375-C448 WeakPolarHBondContact O-CB 3.45Å; E375-A449 HydrophobicContact CG-CB 4.34Å
376	V	94.3	Very high	96.8	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	121.8	172	172.5	0	0	0	0	108.6	F374 F380 L381 F400 L402 T403 H405 W429	F374-V376 HydrophobicContact CD2-CG2 4.48Å; F374-V376 HydrophobicContact CE1-CG2 4.22Å; F374-V376 HydrophobicContact CE2-CG2 3.7Å; F374-V376 HydrophobicContact CZ-CG2 3.52Å; V376-F380 HydrophobicContact CG1-CB 4.32Å; V376-F380 HydrophobicContact CG1-CD1 4.09Å; V376-F380 HydrophobicContact CG2-CD1 4.06Å; V376-F380 HydrophobicContact CG2-CE1 4.45Å; V376-L381 HydrophobicContact CG1-CD2 3.95Å; V376-F400 HydrophobicContact CG1-CE1 4Å; V376-F400 HydrophobicContact CG1-CZ 3.82Å; V376-F400 WeakPolarHBondContact O-CE1 3.45Å; V376-L402 WeakPolarHBondContact O-CD1 3.42Å; V376-T403 PolarHBondContact N-O 2.69Å; V376-T403 PolarHBondContact O-N 3.19Å; V376-H405 HydrophobicContact CG2-CB 3.36Å; V376-W429 HydrophobicContact CG1-CH2 4.3Å; V376-W429 HydrophobicContact CG2-CH2 4.36Å
377	Y	93.3	Very high	96.8	Very high	55 Å²	55	18.3 Å²	18.3	22%	0.216	9%	0.092	C	C	.	.	P	Polyproline II helix	trans	-103.8	164.5	171.7	-68.1	-93.5	0	0	0	110.2	E375 D379 F380 H390 L402 C448	E375-Y377 HydrophobicContact CB-CD2 4.31Å; E375-Y377 HydrophobicContact CB-CE2 3.68Å; E375-Y377 PolarHBondContact OE2-OH 3.18Å; Y377-D379 WeakPolarHBondContact CB-OD1 3.4Å; Y377-D379 PolarHBondContact O-N 3.28Å; Y377-D379 VanDerWaalsContact O-N 3.15Å; Y377-F380 WeakPolarHBondContact O-CB 3.44Å; Y377-F380 PolarHBondContact O-N 3.44Å; Y377-H390 WeakPolarHBondContact CB-ND1 3.29Å; Y377-H390 AromaticContact CD1-CD2 3.93Å; Y377-H390 AromaticContact CD1-CE1 3.29Å; Y377-H390 WeakPolarHBondContact CD1-CE1 3.18Å; Y377-H390 AromaticContact CD1-ND1 3.84Å; Y377-H390 AromaticContact CD1-NE2 3.36Å; Y377-H390 WeakPolarHBondContact CD1-NE2 3.35Å; Y377-H390 HydrophobicContact CD2-CB 4.35Å; Y377-H390 AromaticContact CD2-CG 3.84Å; Y377-H390 AromaticContact CD2-ND1 3.85Å; Y377-H390 AromaticContact CE1-CD2 3.91Å; Y377-H390 AromaticContact CE1-CE1 4Å; Y377-H390 AromaticContact CE1-NE2 3.57Å; Y377-H390 AromaticContact CG-CE1 3.38Å; Y377-H390 AromaticContact CG-CG 3.86Å; Y377-H390 AromaticContact CG-ND1 3.44Å; Y377-H390 AromaticContact CG-NE2 3.79Å; Y377-L402 HydrophobicContact CD1-CD1 3.55Å; Y377-L402 HydrophobicContact CD2-CD1 3.84Å; Y377-L402 HydrophobicContact CE1-CD1 3.39Å; Y377-L402 HydrophobicContact CE1-CD2 4.31Å; Y377-L402 HydrophobicContact CE1-CG 4.43Å; Y377-L402 HydrophobicContact CE2-CD1 3.66Å; Y377-L402 HydrophobicContact CG-CD1 3.77Å; Y377-L402 VanDerWaalsContact CZ-CD1 3.42Å; Y377-C448 HydrophobicContact CE2-CB 4.31Å
378	D	91.3	Very high	96.8	Very high	17 Å²	17	13.5 Å²	13.5	9%	0.091	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-40.5	-178.9	-45.5	-4	0	0	0	112.2	F174 F380 L381 H382 R394 D395 F400	F174-D378 HydrophobicContact CE1-CB 4.11Å; F174-D378 HydrophobicContact CZ-CB 4.01Å; D378-F380 VanDerWaalsContact C-N 3.33Å; D378-F380 PolarHBondContact O-N 2.87Å; D378-L381 WeakPolarHBondContact O-CB 3.48Å; D378-L381 PolarHBondContact O-N 2.64Å; D378-H382 PolarHBondContact O-CD2 2.92Å; D378-H382 VanDerWaalsContact O-CD2 3.29Å; D378-R394 WeakPolarHBondContact OD2-CA 3.38Å; D378-D395 HydrophobicContact CB-CB 4.22Å; D378-D395 PolarHBondContact OD2-N 2.95Å; D378-F400 VanDerWaalsContact OD1-CB 3.31Å; D378-F400 WeakPolarHBondContact OD1-CB 3.39Å; D378-F400 WeakPolarHBondContact OD1-CD1 3.33Å
379	D	94.8	Very high	96.8	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-31.9	-178.1	62.7	-1.9	0	0	0	112.8	F174 I178 W185 Y377 L381 H382 Y388 H390 T391	F174-D379 HydrophobicContact CZ-CB 4.26Å; I178-D379 HydrophobicContact CD1-CB 3.75Å; I178-D379 HydrophobicContact CG1-CB 4.24Å; W185-D379 HydrophobicContact CH2-CB 3.99Å; W185-D379 VanDerWaalsContact CH2-O 3.28Å; W185-D379 WeakPolarHBondContact CH2-O 3.26Å; W185-D379 HydrophobicContact CZ2-CB 4.18Å; Y377-D379 WeakPolarHBondContact CB-OD1 3.4Å; Y377-D379 PolarHBondContact O-N 3.28Å; Y377-D379 VanDerWaalsContact O-N 3.15Å; D379-L381 VanDerWaalsContact C-N 3.29Å; D379-L381 PolarHBondContact O-N 3.46Å; D379-H382 WeakPolarHBondContact O-CB 3.39Å; D379-H382 PolarHBondContact O-N 3.06Å; D379-H382 VanDerWaalsContact O-N 3.13Å; D379-Y388 PolarHBondContact OD1-OH 3.28Å; D379-H390 IonicContact OD1-CE1 3.67Å; D379-H390 IonicContact OD1-ND1 3.71Å; D379-H390 PolarHBondContact OD1-ND1 3.09Å; D379-H390 VanDerWaalsContact OD1-ND1 3.08Å; D379-H390 IonicContact OD2-CE1 3.68Å; D379-H390 IonicContact OD2-CG 3.1Å; D379-H390 IonicContact OD2-ND1 3.37Å; D379-H390 PolarHBondContact OD2-ND1 3.13Å; D379-T391 WeakPolarHBondContact OD2-CB 3.47Å; D379-T391 PolarHBondContact OD2-N 3.08Å; D379-T391 PolarHBondContact OD2-OG1 3.4Å
380	F	97.1	Very high	96.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.094	C	C	.	.	G	3₁₀ helix	trans	-64.8	-32.1	178.3	-173.1	-98.1	0	0	0	112.7	F374 V376 Y377 D378 H382 Y383 Y388 W429 W433 F439	F374-F380 HydrophobicContact CE1-CZ 4.48Å; F374-F380 HydrophobicContact CE2-CD1 4.01Å; F374-F380 AromaticContact CE2-CD2 3.98Å; F374-F380 HydrophobicContact CE2-CD2 3.98Å; F374-F380 AromaticContact CE2-CE1 3.89Å; F374-F380 HydrophobicContact CE2-CE1 3.89Å; F374-F380 AromaticContact CE2-CE2 3.83Å; F374-F380 HydrophobicContact CE2-CE2 3.83Å; F374-F380 HydrophobicContact CE2-CG 4.05Å; F374-F380 AromaticContact CE2-CZ 3.76Å; F374-F380 HydrophobicContact CE2-CZ 3.76Å; F374-F380 AromaticContact CZ-CD1 3.93Å; F374-F380 HydrophobicContact CZ-CD1 3.93Å; F374-F380 HydrophobicContact CZ-CD2 4.44Å; F374-F380 AromaticContact CZ-CE1 3.41Å; F374-F380 HydrophobicContact CZ-CE1 3.41Å; F374-F380 VanDerWaalsContact CZ-CE1 3.41Å; F374-F380 AromaticContact CZ-CE2 3.96Å; F374-F380 HydrophobicContact CZ-CE2 3.96Å; F374-F380 HydrophobicContact CZ-CG 4.41Å; F374-F380 AromaticContact CZ-CZ 3.4Å; F374-F380 HydrophobicContact CZ-CZ 3.4Å; V376-F380 HydrophobicContact CG1-CB 4.32Å; V376-F380 HydrophobicContact CG1-CD1 4.09Å; V376-F380 HydrophobicContact CG2-CD1 4.06Å; V376-F380 HydrophobicContact CG2-CE1 4.45Å; Y377-F380 WeakPolarHBondContact O-CB 3.44Å; Y377-F380 PolarHBondContact O-N 3.44Å; D378-F380 VanDerWaalsContact C-N 3.33Å; D378-F380 PolarHBondContact O-N 2.87Å; F380-H382 PolarHBondContact O-N 3.4Å; F380-Y383 VanDerWaalsContact O-CB 3.31Å; F380-Y383 WeakPolarHBondContact O-CB 3.35Å; F380-Y383 PolarHBondContact O-N 3.1Å; F380-Y388 HydrophobicContact CB-CE1 4.47Å; F380-Y388 HydrophobicContact CB-CE2 3.88Å; F380-Y388 AromaticContact CD2-CD1 3.74Å; F380-Y388 HydrophobicContact CD2-CD1 3.74Å; F380-Y388 AromaticContact CD2-CD2 3.79Å; F380-Y388 HydrophobicContact CD2-CD2 3.79Å; F380-Y388 AromaticContact CD2-CE1 3.7Å; F380-Y388 HydrophobicContact CD2-CE1 3.7Å; F380-Y388 AromaticContact CD2-CE2 3.76Å; F380-Y388 HydrophobicContact CD2-CE2 3.76Å; F380-Y388 AromaticContact CD2-CG 3.78Å; F380-Y388 HydrophobicContact CD2-CG 3.78Å; F380-Y388 AromaticContact CD2-CZ 3.72Å; F380-Y388 HydrophobicContact CE2-CD1 4.15Å; F380-Y388 HydrophobicContact CE2-CE1 4.47Å; F380-Y388 HydrophobicContact CE2-CG 4.19Å; F380-Y388 HydrophobicContact CG-CE1 4.5Å; F380-Y388 HydrophobicContact CG-CE2 4.34Å; F380-W429 AromaticContact CD1-CH2 3.89Å; F380-W429 HydrophobicContact CD1-CH2 3.89Å; F380-W429 AromaticContact CD1-CZ3 3.92Å; F380-W429 HydrophobicContact CD1-CZ3 3.92Å; F380-W429 AromaticContact CE1-CH2 3.84Å; F380-W429 HydrophobicContact CE1-CH2 3.84Å; F380-W429 AromaticContact CE1-CZ3 3.73Å; F380-W429 HydrophobicContact CE1-CZ3 3.73Å; F380-W433 HydrophobicContact CD1-CZ2 4.19Å; F380-W433 AromaticContact CE1-CH2 3.66Å; F380-W433 HydrophobicContact CE1-CH2 3.66Å; F380-W433 AromaticContact CE1-CZ2 3.53Å; F380-W433 HydrophobicContact CE1-CZ2 3.53Å; F380-W433 HydrophobicContact CE2-CH2 4.21Å; F380-W433 HydrophobicContact CE2-CZ2 4.44Å; F380-W433 AromaticContact CZ-CH2 3.4Å; F380-W433 HydrophobicContact CZ-CH2 3.4Å; F380-W433 AromaticContact CZ-CZ2 3.71Å; F380-W433 HydrophobicContact CZ-CZ2 3.71Å; F380-F439 AromaticContact CE2-CD2 3.64Å; F380-F439 HydrophobicContact CE2-CD2 3.64Å; F380-F439 AromaticContact CE2-CE2 3.74Å; F380-F439 HydrophobicContact CE2-CE2 3.74Å; F380-F439 HydrophobicContact CE2-CG 4.04Å; F380-F439 HydrophobicContact CE2-CZ 4.21Å; F380-F439 AromaticContact CZ-CD1 3.9Å; F380-F439 HydrophobicContact CZ-CD1 3.9Å; F380-F439 AromaticContact CZ-CD2 3.82Å; F380-F439 HydrophobicContact CZ-CD2 3.82Å; F380-F439 AromaticContact CZ-CE1 3.84Å; F380-F439 HydrophobicContact CZ-CE1 3.84Å; F380-F439 AromaticContact CZ-CE2 3.77Å; F380-F439 HydrophobicContact CZ-CE2 3.77Å; F380-F439 AromaticContact CZ-CG 3.86Å; F380-F439 HydrophobicContact CZ-CG 3.86Å; F380-F439 AromaticContact CZ-CZ 3.76Å; F380-F439 HydrophobicContact CZ-CZ 3.76Å
381	L	94.8	Very high	96.3	Very high	3 Å²	3	20.3 Å²	20.3	2%	0.016	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-56.7	-27.7	176.6	-59.5	-179.8	0	0	0	111.8	Y168 Y193 M201 V376 D378 D379 F400 W429	Y168-L381 HydrophobicContact CE2-CD1 4.48Å; Y193-L381 HydrophobicContact CE2-CB 4.23Å; Y193-L381 VanDerWaalsContact CE2-O 3.29Å; Y193-L381 WeakPolarHBondContact CE2-O 3.49Å; Y193-L381 PolarHBondContact OH-O 2.79Å; Y193-L381 VanDerWaalsContact OH-O 3.12Å; M201-L381 HydrophobicContact CE-CD1 4.08Å; M201-L381 HydrophobicContact CE-CD2 4.15Å; V376-L381 HydrophobicContact CG1-CD2 3.95Å; D378-L381 WeakPolarHBondContact O-CB 3.48Å; D378-L381 PolarHBondContact O-N 2.64Å; D379-L381 VanDerWaalsContact C-N 3.29Å; D379-L381 PolarHBondContact O-N 3.46Å; L381-F400 HydrophobicContact CD1-CD2 3.75Å; L381-F400 HydrophobicContact CD1-CE2 3.82Å; L381-F400 HydrophobicContact CD1-CG 4.18Å; L381-F400 HydrophobicContact CD1-CZ 4.3Å; L381-F400 HydrophobicContact CD2-CE2 4.29Å; L381-F400 HydrophobicContact CD2-CZ 4.3Å; L381-F400 HydrophobicContact CG-CE2 4.49Å; L381-W429 HydrophobicContact CD2-CH2 3.98Å; L381-W429 HydrophobicContact CD2-CZ3 4.26Å
382	H	96.6	Very high	96	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.009	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-94.7	-1.6	-178.5	-60.6	-70.9	0	0	0	114.3	Y168 F174 V175 A187 T188 D378 D379 F380 Q384	Y168-H382 PolarHBondContact OH-CE1 3.46Å; Y168-H382 PolarHBondContact OH-NE2 2.93Å; Y168-H382 VanDerWaalsContact OH-NE2 3.12Å; F174-H382 AromaticContact CD1-CD2 3.79Å; F174-H382 AromaticContact CD1-NE2 3.68Å; F174-H382 AromaticContact CE1-CD2 3.66Å; F174-H382 AromaticContact CE1-NE2 3.85Å; V175-H382 HydrophobicContact CG2-CB 4.47Å; A187-H382 CarbonylContact C-O 3.56Å; A187-H382 WeakPolarHBondContact CA-O 3.46Å; A187-H382 HydrophobicContact CB-CB 3.92Å; T188-H382 PolarHBondContact N-O 2.74Å; T188-H382 WeakPolarHBondContact O-CB 3.21Å; T188-H382 PolarHBondContact O-ND1 2.74Å; T188-H382 VanDerWaalsContact O-ND1 3.16Å; D378-H382 PolarHBondContact O-CD2 2.92Å; D378-H382 VanDerWaalsContact O-CD2 3.29Å; D379-H382 WeakPolarHBondContact O-CB 3.39Å; D379-H382 PolarHBondContact O-N 3.06Å; D379-H382 VanDerWaalsContact O-N 3.13Å; F380-H382 PolarHBondContact O-N 3.4Å; H382-Q384 PolarHBondContact O-N 2.58Å
383	Y	98.3	Very high	95.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.8	132.6	-179.7	174.7	-91.8	0	0	0	112.1	W185 Y190 F380 G386 Y388 W433 E435 F439 R440	W185-Y383 HydrophobicContact CB-CD2 4.39Å; W185-Y383 HydrophobicContact CB-CE2 4.19Å; W185-Y383 HydrophobicContact CD2-CD2 4.4Å; W185-Y383 AromaticContact CE3-CD2 3.92Å; W185-Y383 HydrophobicContact CE3-CD2 3.92Å; Y190-Y383 PolarHBondContact OH-O 2.67Å; F380-Y383 VanDerWaalsContact O-CB 3.31Å; F380-Y383 WeakPolarHBondContact O-CB 3.35Å; F380-Y383 PolarHBondContact O-N 3.1Å; Y383-G386 VanDerWaalsContact CE2-O 3.3Å; Y383-G386 WeakPolarHBondContact CE2-O 3.24Å; Y383-G386 PolarHBondContact OH-N 2.75Å; Y383-G386 PolarHBondContact OH-O 2.87Å; Y383-Y388 HydrophobicContact CD2-CD2 4.36Å; Y383-W433 AromaticContact CD1-CH2 3.82Å; Y383-W433 HydrophobicContact CD1-CH2 3.82Å; Y383-W433 HydrophobicContact CD1-CZ2 4.04Å; Y383-W433 HydrophobicContact CD1-CZ3 4.35Å; Y383-W433 HydrophobicContact CG-CH2 4.46Å; Y383-W433 HydrophobicContact CG-CZ2 4.43Å; Y383-E435 HydrophobicContact CE1-CG 4.15Å; Y383-E435 PolarHBondContact OH-OE1 3.29Å; Y383-E435 PolarHBondContact OH-OE2 3.12Å; Y383-F439 HydrophobicContact CD1-CB 3.72Å; Y383-F439 HydrophobicContact CE1-CB 3.26Å; Y383-F439 HydrophobicContact CE2-CB 4.37Å; Y383-F439 HydrophobicContact CG-CB 4.44Å; Y383-R440 PolarHBondContact OH-N 3.45Å; Y383-R440 VanDerWaalsContact OH-N 3.1Å
384	Q	98.2	Very high	95	Very high	77 Å²	77	33.9 Å²	33.9	36%	0.36	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	-52.6	175.3	-169.2	179.8	21.6	0	0	112.7	T186 T188 H382 G434 E435	T186-Q384 VanDerWaalsContact O-CB 3.26Å; T186-Q384 WeakPolarHBondContact O-CB 3.4Å; T186-Q384 PolarHBondContact O-N 3.17Å; T188-Q384 HydrophobicContact CG2-CB 3.66Å; T188-Q384 HydrophobicContact CG2-CG 3.78Å; H382-Q384 PolarHBondContact O-N 2.58Å; Q384-G434 CarbonylContact O-C 3.48Å; Q384-G434 WeakPolarHBondContact O-CA 3.5Å; Q384-E435 PolarHBondContact O-N 3.44Å
385	N	97.7	Very high	94.3	Very high	65 Å²	65	34.2 Å²	34.2	35%	0.348	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	166.8	178.9	64.2	70.5	0	0	0	111.1	W185 T186 E435	W185-N385 CarbonylContact C-O 3.55Å; W185-N385 WeakPolarHBondContact CA-O 3.28Å; W185-N385 WeakPolarHBondContact CB-O 3.24Å; T186-N385 PolarHBondContact N-O 3.06Å; T186-N385 PolarHBondContact OG1-ND2 3.01Å; T186-N385 PolarHBondContact OG1-OD1 3.37Å; N385-E435 WeakPolarHBondContact CA-OE1 3.16Å; N385-E435 HydrophobicContact CB-CG 3.97Å; N385-E435 WeakPolarHBondContact CB-OE1 3.49Å
386	G	98.2	Very high	93.4	Very high	9 Å²	9	38.2 Å²	38.2	9%	0.093	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	93.6	-168.5	179.2	0	0	0	0	0	113.1	S184 Y383 E435 R440	S184-G386 CarbonylContact O-C 3.43Å; S184-G386 WeakPolarHBondContact O-CA 3.34Å; Y383-G386 VanDerWaalsContact CE2-O 3.3Å; Y383-G386 WeakPolarHBondContact CE2-O 3.24Å; Y383-G386 PolarHBondContact OH-N 2.75Å; Y383-G386 PolarHBondContact OH-O 2.87Å; G386-E435 PolarHBondContact N-OE1 3.16Å; G386-R440 WeakPolarHBondContact O-CB 3.38Å
387	I	98.7	Very high	92.6	Very high	5 Å²	5	42.6 Å²	42.6	3%	0.026	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	104.7	-179.1	-55.9	169.2	0	0	0	108.9	S184 H389 D415 M420 Y422 R440 R442	S184-I387 CarbonylContact C-O 3.59Å; S184-I387 WeakPolarHBondContact CB-O 3.03Å; S184-I387 PolarHBondContact O-N 3.23Å; S184-I387 PolarHBondContact OG-O 2.7Å; I387-H389 PolarHBondContact O-N 3.16Å; I387-D415 HydrophobicContact CD1-CB 3.64Å; I387-M420 HydrophobicContact CB-SD 4.07Å; I387-M420 HydrophobicContact CD1-CB 3.84Å; I387-M420 HydrophobicContact CD1-CG 3.96Å; I387-M420 HydrophobicContact CD1-SD 4.22Å; I387-M420 HydrophobicContact CG2-CG 4.21Å; I387-M420 HydrophobicContact CG2-SD 3.69Å; I387-Y422 HydrophobicContact CD1-CD1 3.63Å; I387-Y422 HydrophobicContact CD1-CG 4.18Å; I387-Y422 HydrophobicContact CG1-CD1 4.08Å; I387-Y422 HydrophobicContact CG1-CG 4.23Å; I387-R440 HydrophobicContact CG1-CB 4.37Å; I387-R442 HydrophobicContact CG2-CB 4.34Å
388	Y	98.6	Very high	91.7	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	134.4	176.6	177.3	-101.8	0	0	0	111.1	W185 D379 F380 Y383 R440 I441 R442	W185-Y388 HydrophobicContact CD2-CD2 4.08Å; W185-Y388 AromaticContact CE2-CD2 3.72Å; W185-Y388 HydrophobicContact CE3-CD2 4.45Å; W185-Y388 HydrophobicContact CH2-CD2 4.19Å; W185-Y388 HydrophobicContact CH2-CE2 4.14Å; W185-Y388 AromaticContact CZ2-CD2 3.8Å; W185-Y388 HydrophobicContact CZ2-CD2 3.8Å; W185-Y388 AromaticContact CZ2-CE2 3.76Å; W185-Y388 HydrophobicContact CZ2-CE2 3.76Å; D379-Y388 PolarHBondContact OD1-OH 3.28Å; F380-Y388 HydrophobicContact CB-CE1 4.47Å; F380-Y388 HydrophobicContact CB-CE2 3.88Å; F380-Y388 AromaticContact CD2-CD1 3.74Å; F380-Y388 HydrophobicContact CD2-CD1 3.74Å; F380-Y388 AromaticContact CD2-CD2 3.79Å; F380-Y388 HydrophobicContact CD2-CD2 3.79Å; F380-Y388 AromaticContact CD2-CE1 3.7Å; F380-Y388 HydrophobicContact CD2-CE1 3.7Å; F380-Y388 AromaticContact CD2-CE2 3.76Å; F380-Y388 HydrophobicContact CD2-CE2 3.76Å; F380-Y388 AromaticContact CD2-CG 3.78Å; F380-Y388 HydrophobicContact CD2-CG 3.78Å; F380-Y388 AromaticContact CD2-CZ 3.72Å; F380-Y388 HydrophobicContact CE2-CD1 4.15Å; F380-Y388 HydrophobicContact CE2-CE1 4.47Å; F380-Y388 HydrophobicContact CE2-CG 4.19Å; F380-Y388 HydrophobicContact CG-CE1 4.5Å; F380-Y388 HydrophobicContact CG-CE2 4.34Å; Y383-Y388 HydrophobicContact CD2-CD2 4.36Å; Y388-R440 WeakPolarHBondContact CB-O 3.39Å; Y388-R440 PolarHBondContact N-O 3.33Å; Y388-I441 HydrophobicContact CD1-CD1 3.87Å; Y388-I441 HydrophobicContact CD1-CG1 3.97Å; Y388-I441 HydrophobicContact CE1-CD1 4.35Å; Y388-R442 PolarHBondContact O-N 3.28Å
389	H	97	Very high	90.9	Very high	70 Å²	70	42.2 Å²	42.2	32%	0.324	22%	0.224	S	C	.	.			trans	-145.6	131.7	167.7	174.4	56.9	0	0	0	106.7	W185 I387 T391 E447	W185-H389 PolarHBondContact NE1-O 2.94Å; I387-H389 PolarHBondContact O-N 3.16Å; H389-T391 PolarHBondContact O-N 3.46Å; H389-E447 WeakPolarHBondContact CA-OE1 3.38Å; H389-E447 IonicContact CE1-OE1 2.74Å; H389-E447 IonicContact CE1-OE2 3.08Å; H389-E447 PolarHBondContact CE1-OE2 2.76Å; H389-E447 VanDerWaalsContact CE1-OE2 3.31Å; H389-E447 IonicContact CG-OE1 3.85Å; H389-E447 IonicContact ND1-OE1 3.92Å; H389-E447 PolarHBondContact ND1-OE1 3.05Å; H389-E447 IonicContact ND1-OE2 2.96Å; H389-E447 PolarHBondContact ND1-OE2 3.36Å
390	H	96.2	Very high	89.8	Confident	42 Å²	42	43.2 Å²	43.2	19%	0.194	23%	0.228	C	C	.	.			trans	-63.9	129.4	-176.7	177.8	51.8	0	0	0	110.9	Y377 D379 G392 E447	Y377-H390 WeakPolarHBondContact CB-ND1 3.29Å; Y377-H390 AromaticContact CD1-CD2 3.93Å; Y377-H390 AromaticContact CD1-CE1 3.29Å; Y377-H390 WeakPolarHBondContact CD1-CE1 3.18Å; Y377-H390 AromaticContact CD1-ND1 3.84Å; Y377-H390 AromaticContact CD1-NE2 3.36Å; Y377-H390 WeakPolarHBondContact CD1-NE2 3.35Å; Y377-H390 HydrophobicContact CD2-CB 4.35Å; Y377-H390 AromaticContact CD2-CG 3.84Å; Y377-H390 AromaticContact CD2-ND1 3.85Å; Y377-H390 AromaticContact CE1-CD2 3.91Å; Y377-H390 AromaticContact CE1-CE1 4Å; Y377-H390 AromaticContact CE1-NE2 3.57Å; Y377-H390 AromaticContact CG-CE1 3.38Å; Y377-H390 AromaticContact CG-CG 3.86Å; Y377-H390 AromaticContact CG-ND1 3.44Å; Y377-H390 AromaticContact CG-NE2 3.79Å; D379-H390 IonicContact OD1-CE1 3.67Å; D379-H390 IonicContact OD1-ND1 3.71Å; D379-H390 PolarHBondContact OD1-ND1 3.09Å; D379-H390 VanDerWaalsContact OD1-ND1 3.08Å; D379-H390 IonicContact OD2-CE1 3.68Å; D379-H390 IonicContact OD2-CG 3.1Å; D379-H390 IonicContact OD2-ND1 3.37Å; D379-H390 PolarHBondContact OD2-ND1 3.13Å; H390-G392 PolarHBondContact CE1-N 2.88Å; H390-G392 WeakPolarHBondContact NE2-CA 3.29Å; H390-G392 PolarHBondContact NE2-N 3.25Å; H390-E447 PolarHBondContact N-OE1 2.97Å
391	T	92.6	Very high	88.7	Confident	31 Å²	31	45.6 Å²	45.6	19%	0.19	24%	0.239	C	C	.	.			trans	-85.3	-15.1	-172.7	59.1	0	0	0	0	114	I178 I181 Q182 W185 D379 H389 L393	I178-T391 HydrophobicContact CG2-CG2 4.41Å; I181-T391 HydrophobicContact CG2-CG2 4.22Å; Q182-T391 HydrophobicContact CG-CG2 3.72Å; W185-T391 HydrophobicContact CZ2-CG2 3.97Å; D379-T391 WeakPolarHBondContact OD2-CB 3.47Å; D379-T391 PolarHBondContact OD2-N 3.08Å; D379-T391 PolarHBondContact OD2-OG1 3.4Å; H389-T391 PolarHBondContact O-N 3.46Å; T391-L393 PolarHBondContact O-N 2.93Å; T391-L393 WeakPolarHBondContact OG1-CB 3.38Å; T391-L393 PolarHBondContact OG1-N 3.17Å
392	G	90.9	Very high	87.9	Confident	49 Å²	49	47.7 Å²	47.7	51%	0.505	25%	0.25	S	S	.	.			trans	75	-3.8	-168.9	0	0	0	0	0	114.3	H390	H390-G392 PolarHBondContact CE1-N 2.88Å; H390-G392 WeakPolarHBondContact NE2-CA 3.29Å; H390-G392 PolarHBondContact NE2-N 3.25Å
393	L	89.1	Confident	87.1	Confident	46 Å²	46	47.6 Å²	47.6	24%	0.241	25%	0.25	C	C	.	.			trans	-71.1	152.3	174.3	-60.7	177.3	0	0	0	110.4	F174 A177 I178 I181 T391	F174-L393 HydrophobicContact CE2-CB 3.72Å; F174-L393 HydrophobicContact CZ-CB 4.39Å; A177-L393 HydrophobicContact CB-CD1 4.24Å; I178-L393 HydrophobicContact CG1-CD1 3.92Å; I181-L393 HydrophobicContact CD1-CD2 4.32Å; I181-L393 HydrophobicContact CG2-CD1 3.88Å; T391-L393 PolarHBondContact O-N 2.93Å; T391-L393 WeakPolarHBondContact OG1-CB 3.38Å; T391-L393 PolarHBondContact OG1-N 3.17Å
394	R	85.6	Confident	86.5	Confident	208 Å²	208	48.7 Å²	48.7	79%	0.785	26%	0.256	S	S	*	.			trans	-128.1	143.1	176	-64.9	-173.5	179.2	-168.2	-3.6	109.9	F174 D378 P396	F174-R394 WeakPolarHBondContact CE2-O 3.16Å; D378-R394 WeakPolarHBondContact OD2-CA 3.38Å; R394-P396 VanDerWaalsContact O-CD 3.3Å; R394-P396 WeakPolarHBondContact O-CD 3.35Å
395	D	81.6	Confident	86.4	Confident	9 Å²	9	45 Å²	45	5%	0.048	24%	0.239	C	C	.	.			trans	-76.6	113.1	175.7	-174.3	-22.1	0	0	0	108.7	F174 D378 F397 N398	F174-D395 HydrophobicContact CD1-CB 3.9Å; F174-D395 HydrophobicContact CD2-CB 4.4Å; F174-D395 HydrophobicContact CE1-CB 3.84Å; F174-D395 HydrophobicContact CE2-CB 4.36Å; F174-D395 HydrophobicContact CG-CB 4.19Å; F174-D395 HydrophobicContact CZ-CB 4.1Å; D378-D395 HydrophobicContact CB-CB 4.22Å; D378-D395 PolarHBondContact OD2-N 2.95Å; D395-F397 PolarHBondContact O-N 3.27Å; D395-F397 WeakPolarHBondContact OD1-CA 3.23Å; D395-F397 VanDerWaalsContact OD1-CB 3.26Å; D395-F397 WeakPolarHBondContact OD1-CB 3.43Å; D395-F397 PolarHBondContact OD1-N 2.95Å; D395-N398 HydrophobicContact CB-CB 4.4Å; D395-N398 PolarHBondContact OD1-N 3.33Å; D395-N398 WeakPolarHBondContact OD2-CB 3.19Å; D395-N398 PolarHBondContact OD2-ND2 2.91Å
396	P	77.3	Confident	86.4	Confident	115 Å²	115	42.2 Å²	42.2	75%	0.747	22%	0.224	S	C	*	.	S	Bend	trans	-71.8	-19.4	179.4	32.1	-35.4	0	0	0	112.3	R394	R394-P396 VanDerWaalsContact O-CD 3.3Å; R394-P396 WeakPolarHBondContact O-CD 3.35Å
397	F	76.1	Confident	86.4	Confident	91 Å²	91	41.9 Å²	41.9	40%	0.399	22%	0.221	S	C	.	.	S	Bend	trans	-88.5	-39.5	-176.5	-169.5	-92.9	0	0	0	111.7	R166 K169 D171 D395	R166-F397 PolarHBondContact NH1-O 3.45Å; R166-F397 PolarHBondContact NH2-O 3.39Å; K169-F397 HydrophobicContact CB-CD1 4.42Å; K169-F397 HydrophobicContact CB-CE1 3.7Å; K169-F397 HydrophobicContact CB-CZ 4.45Å; K169-F397 HydrophobicContact CD-CE1 4.1Å; K169-F397 HydrophobicContact CD-CZ 4.11Å; K169-F397 HydrophobicContact CG-CE1 4.17Å; D171-F397 HydrophobicContact CB-CB 4.26Å; D395-F397 PolarHBondContact O-N 3.27Å; D395-F397 WeakPolarHBondContact OD1-CA 3.23Å; D395-F397 VanDerWaalsContact OD1-CB 3.26Å; D395-F397 WeakPolarHBondContact OD1-CB 3.43Å; D395-F397 PolarHBondContact OD1-N 2.95Å
398	N	75.8	Confident	86.4	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.005	22%	0.22	C	C	.	.	S	Bend	trans	-110.8	106.8	178.3	-61.3	-61.2	0	0	0	111	R166 Y168 K169 L198 D395 F400	R166-N398 PolarHBondContact NH2-OD1 3.4Å; Y168-N398 HydrophobicContact CE2-CB 4.22Å; K169-N398 PolarHBondContact O-ND2 3.41Å; L198-N398 HydrophobicContact CD2-CB 4Å; D395-N398 HydrophobicContact CB-CB 4.4Å; D395-N398 PolarHBondContact OD1-N 3.33Å; D395-N398 WeakPolarHBondContact OD2-CB 3.19Å; D395-N398 PolarHBondContact OD2-ND2 2.91Å; N398-F400 PolarHBondContact O-N 3.24Å
399	P	73.4	Confident	86.5	Confident	64 Å²	64	41.8 Å²	41.8	42%	0.416	22%	0.22	S	C	.	.			trans	-75.2	71.4	178.1	33	-35.3	0	0	0	110.2	Y163	Y163-P399 HydrophobicContact CD2-CG 3.86Å; Y163-P399 HydrophobicContact CE2-CG 4.43Å; Y163-P399 HydrophobicContact CG-CG 4.28Å
400	F	72.1	Confident	86.6	Confident	21 Å²	21	38.5 Å²	38.5	9%	0.092	21%	0.205	C	C	.	.			trans	-73.2	145.8	177.3	-178.5	-90.8	0	0	0	110	I202 V376 D378 L381 N398	I202-F400 HydrophobicContact CG1-CD2 3.96Å; I202-F400 HydrophobicContact CG1-CE2 4.06Å; V376-F400 HydrophobicContact CG1-CE1 4Å; V376-F400 HydrophobicContact CG1-CZ 3.82Å; V376-F400 WeakPolarHBondContact O-CE1 3.45Å; D378-F400 VanDerWaalsContact OD1-CB 3.31Å; D378-F400 WeakPolarHBondContact OD1-CB 3.39Å; D378-F400 WeakPolarHBondContact OD1-CD1 3.33Å; L381-F400 HydrophobicContact CD1-CD2 3.75Å; L381-F400 HydrophobicContact CD1-CE2 3.82Å; L381-F400 HydrophobicContact CD1-CG 4.18Å; L381-F400 HydrophobicContact CD1-CZ 4.3Å; L381-F400 HydrophobicContact CD2-CE2 4.29Å; L381-F400 HydrophobicContact CD2-CZ 4.3Å; L381-F400 HydrophobicContact CG-CE2 4.49Å; N398-F400 PolarHBondContact O-N 3.24Å
401	E	73.4	Confident	86.7	Confident	49 Å²	49	36.5 Å²	36.5	23%	0.229	20%	0.196	C	C	.	.			trans	-107.6	137.6	-178.3	-63.8	-170.5	-159.5	0	0	109.1	I202 H208 T403	I202-E401 HydrophobicContact CD1-CB 4.39Å; I202-E401 HydrophobicContact CD1-CG 4.35Å; H208-E401 IonicContact CD2-OE2 3.69Å; H208-E401 PolarHBondContact CD2-OE2 3.32Å; H208-E401 IonicContact NE2-OE2 2.87Å; H208-E401 PolarHBondContact NE2-OE2 3.29Å; E401-T403 PolarHBondContact O-N 2.88Å
402	L	77.8	Confident	87	Confident	47 Å²	47	35 Å²	35	25%	0.246	19%	0.187	C	C	.	.			trans	-57	124.4	178.9	-173.6	64.9	0	0	0	110.2	S209 E375 V376 Y377	S209-L402 PolarHBondContact N-O 3.47Å; E375-L402 HydrophobicContact CB-CD1 3.8Å; E375-L402 HydrophobicContact CB-CG 4.4Å; E375-L402 HydrophobicContact CG-CD1 4.5Å; V376-L402 WeakPolarHBondContact O-CD1 3.42Å; Y377-L402 HydrophobicContact CD1-CD1 3.55Å; Y377-L402 HydrophobicContact CD2-CD1 3.84Å; Y377-L402 HydrophobicContact CE1-CD1 3.39Å; Y377-L402 HydrophobicContact CE1-CD2 4.31Å; Y377-L402 HydrophobicContact CE1-CG 4.43Å; Y377-L402 HydrophobicContact CE2-CD1 3.66Å; Y377-L402 HydrophobicContact CG-CD1 3.77Å; Y377-L402 VanDerWaalsContact CZ-CD1 3.42Å
403	T	79.9	Confident	87.3	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	160.6	-177.3	42.5	0	0	0	0	111.8	I202 S205 G207 E375 V376 E401	I202-T403 HydrophobicContact CG2-CG2 3.86Å; S205-T403 WeakPolarHBondContact CB-OG1 3.37Å; S205-T403 WeakPolarHBondContact O-CB 3.37Å; S205-T403 PolarHBondContact O-OG1 3.39Å; G207-T403 CarbonylContact O-C 3.54Å; G207-T403 WeakPolarHBondContact O-CA 3.43Å; G207-T403 WeakPolarHBondContact O-CB 3.27Å; G207-T403 WeakPolarHBondContact O-CG2 3.22Å; E375-T403 CarbonylContact C-O 3.57Å; E375-T403 VanDerWaalsContact CA-O 3.23Å; E375-T403 WeakPolarHBondContact CA-O 3.43Å; V376-T403 PolarHBondContact N-O 2.69Å; V376-T403 PolarHBondContact O-N 3.19Å; E401-T403 PolarHBondContact O-N 2.88Å
404	N	85.8	Confident	87.8	Confident	23 Å²	23	33.6 Å²	33.6	12%	0.123	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	114.2	170.2	62.2	9.6	0	0	0	109.5	Y88 S205 G206 G207 F374	Y88-N404 WeakPolarHBondContact CE1-ND2 3.34Å; S205-N404 CarbonylContact O-C 3.55Å; G206-N404 WeakPolarHBondContact CA-O 3.41Å; G207-N404 WeakPolarHBondContact CA-OD1 3.44Å; G207-N404 PolarHBondContact N-O 3.32Å; G207-N404 PolarHBondContact N-OD1 3.32Å; G207-N404 PolarHBondContact O-N 2.87Å; G207-N404 PolarHBondContact O-OD1 2.9Å; G207-N404 VanDerWaalsContact O-OD1 3.06Å; F374-N404 WeakPolarHBondContact O-CA 3.36Å
405	H	96.6	Very high	88.3	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	125.6	-174.1	-170.7	39	0	0	0	111	S205 Q252 C258 A373 F374 V376 V407 N427 W429	S205-H405 WeakPolarHBondContact O-CA 3.44Å; S205-H405 WeakPolarHBondContact O-CB 3.43Å; Q252-H405 PolarHBondContact OE1-CE1 2.57Å; C258-H405 WeakPolarHBondContact CB-CE1 3.33Å; C258-H405 WeakPolarHBondContact CB-ND1 3.2Å; A373-H405 WeakPolarHBondContact CA-O 3.27Å; A373-H405 WeakPolarHBondContact CB-O 3.38Å; F374-H405 HydrophobicContact CD1-CB 4.43Å; F374-H405 WeakPolarHBondContact CD1-O 3.07Å; F374-H405 HydrophobicContact CE1-CB 3.96Å; F374-H405 AromaticContact CE1-CD2 3.8Å; F374-H405 HydrophobicContact CZ-CB 4.4Å; F374-H405 PolarHBondContact N-O 3.38Å; F374-H405 VanDerWaalsContact N-O 3.1Å; F374-H405 PolarHBondContact O-N 3.05Å; V376-H405 HydrophobicContact CG2-CB 3.36Å; H405-V407 VanDerWaalsContact CD2-CG1 3.45Å; H405-V407 WeakPolarHBondContact CD2-CG1 3.38Å; H405-N427 PolarHBondContact NE2-OD1 3.17Å; H405-W429 AromaticContact CD2-CZ2 3.61Å; H405-W429 AromaticContact CE1-CE2 3.87Å; H405-W429 AromaticContact CE1-CZ2 3.92Å; H405-W429 AromaticContact CE1-NE1 3.47Å; H405-W429 PolarHBondContact CE1-NE1 3.35Å; H405-W429 AromaticContact NE2-CE2 3.47Å; H405-W429 AromaticContact NE2-CZ2 3.45Å; H405-W429 WeakPolarHBondContact NE2-CZ2 3.28Å; H405-W429 AromaticContact NE2-NE1 3.46Å; H405-W429 PolarHBondContact NE2-NE1 3.08Å
406	A	98.1	Very high	88.9	Confident	6 Å²	6	31.3 Å²	31.3	5%	0.05	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	129.9	177.4	0	0	0	0	0	111.2	C258 A262 P303 V372	C258-A406 HydrophobicContact CB-CB 4.34Å; C258-A406 WeakPolarHBondContact CB-O 3.16Å; A262-A406 HydrophobicContact CB-CB 4.05Å; P303-A406 HydrophobicContact CG-CB 4.05Å; V372-A406 CarbonylContact O-C 3.52Å; V372-A406 WeakPolarHBondContact O-CA 3.47Å
407	V	98.8	Very high	89.7	Confident	2 Å²	2	30.4 Å²	30.4	1%	0.012	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	172.6	-175.1	-69.2	0	0	0	0	110.1	V372 F374 H405 V425 F439 I450	V372-V407 HydrophobicContact CG2-CG2 3.71Å; V372-V407 PolarHBondContact N-O 3.19Å; V372-V407 PolarHBondContact O-N 3.22Å; V372-V407 VanDerWaalsContact O-O 3.07Å; F374-V407 HydrophobicContact CD1-CG2 3.77Å; F374-V407 HydrophobicContact CE1-CB 4.49Å; F374-V407 HydrophobicContact CE1-CG1 3.87Å; F374-V407 HydrophobicContact CE1-CG2 3.77Å; H405-V407 VanDerWaalsContact CD2-CG1 3.45Å; H405-V407 WeakPolarHBondContact CD2-CG1 3.38Å; V407-V425 HydrophobicContact CB-CG1 3.67Å; V407-V425 HydrophobicContact CG2-CG1 3.36Å; V407-F439 HydrophobicContact CG1-CE1 4.31Å; V407-F439 HydrophobicContact CG2-CE1 4.45Å; V407-F439 HydrophobicContact CG2-CZ 4.19Å; V407-I450 HydrophobicContact CG2-CD1 4.42Å
408	L	98.9	Very high	90.5	Very high	4 Å²	4	29.5 Å²	29.5	2%	0.021	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	116.5	-175.9	-179.1	77	0	0	0	111.4	M266 P369 L370 V410 V425 K426	M266-L408 VanDerWaalsContact CA-CD1 3.45Å; M266-L408 HydrophobicContact CB-CD1 3.6Å; P369-L408 HydrophobicContact CB-CD1 3.8Å; P369-L408 HydrophobicContact CB-CD2 4.14Å; P369-L408 HydrophobicContact CB-CG 3.98Å; L370-L408 CarbonylContact O-C 3.51Å; L408-V410 HydrophobicContact CD2-CG1 3.9Å; L408-V410 HydrophobicContact CG-CG1 4Å; L408-V425 CarbonylContact O-C 3.5Å; L408-V425 WeakPolarHBondContact O-CA 3.43Å; L408-V425 WeakPolarHBondContact O-CG1 3.04Å; L408-K426 HydrophobicContact CB-CB 4.14Å; L408-K426 HydrophobicContact CD2-CB 4.5Å; L408-K426 HydrophobicContact CD2-CD 4Å; L408-K426 PolarHBondContact N-O 3.49Å; L408-K426 VanDerWaalsContact N-O 3.11Å; L408-K426 PolarHBondContact O-N 3.39Å
409	L	98.9	Very high	91.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	121.9	173.6	-176.1	67.5	0	0	0	110.4	M360 L364 P369 L370 V372 W423 V425	M360-L409 HydrophobicContact CE-CD2 3.71Å; L364-L409 HydrophobicContact CD2-CD2 4.17Å; L364-L409 HydrophobicContact CD2-CG 4.15Å; P369-L409 CarbonylContact C-O 3.51Å; P369-L409 WeakPolarHBondContact CA-O 3.48Å; P369-L409 VanDerWaalsContact CB-O 3.28Å; P369-L409 WeakPolarHBondContact CB-O 3.46Å; L370-L409 HydrophobicContact CB-CB 4.29Å; L370-L409 HydrophobicContact CD1-CD2 4.23Å; L370-L409 PolarHBondContact N-O 3.4Å; L370-L409 PolarHBondContact O-N 3.25Å; V372-L409 HydrophobicContact CG1-CB 3.88Å; V372-L409 HydrophobicContact CG1-CD2 4.29Å; V372-L409 HydrophobicContact CG2-CB 4.18Å; L409-W423 HydrophobicContact CD1-CB 3.62Å; L409-W423 HydrophobicContact CD1-CD2 3.78Å; L409-W423 HydrophobicContact CD1-CE3 3.6Å; L409-W423 HydrophobicContact CD1-CG 3.84Å; L409-W423 HydrophobicContact CD1-CZ3 4.45Å; L409-W423 HydrophobicContact CD2-CD2 4.27Å; L409-W423 HydrophobicContact CD2-CE3 3.88Å; L409-W423 HydrophobicContact CD2-CH2 4.37Å; L409-W423 HydrophobicContact CD2-CZ3 3.94Å; L409-W423 HydrophobicContact CG-CE3 4.19Å; L409-V425 HydrophobicContact CD1-CG2 3.96Å
410	V	98.9	Very high	92.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	-10.5	-173.7	-62.1	0	0	0	0	114.3	W237 V246 P369 L408 I424 K426 Y438	W237-V410 WeakPolarHBondContact CB-O 3.36Å; W237-V410 VanDerWaalsContact CD1-O 3.3Å; W237-V410 PolarHBondContact N-O 2.65Å; V246-V410 HydrophobicContact CG1-CG1 4.08Å; V246-V410 HydrophobicContact CG2-CB 4.21Å; V246-V410 HydrophobicContact CG2-CG1 3.97Å; P369-V410 HydrophobicContact CB-CG1 4.25Å; P369-V410 HydrophobicContact CG-CG1 4.25Å; L408-V410 HydrophobicContact CD2-CG1 3.9Å; L408-V410 HydrophobicContact CG-CG1 4Å; V410-I424 HydrophobicContact CG2-CB 4.11Å; V410-I424 HydrophobicContact CG2-CG2 3.67Å; V410-I424 WeakPolarHBondContact CG2-O 3.4Å; V410-I424 PolarHBondContact N-O 3.05Å; V410-K426 HydrophobicContact CG1-CB 4.16Å; V410-Y438 HydrophobicContact CG2-CD1 4.15Å; V410-Y438 HydrophobicContact CG2-CE1 3.95Å
411	G	98.9	Very high	93.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.2	178	-176.7	0	0	0	0	0	113.9	W235 I424	W235-G411 CarbonylContact O-C 3.51Å; W235-G411 WeakPolarHBondContact O-CA 3.36Å; G411-I424 PolarHBondContact N-O 3.28Å; G411-I424 PolarHBondContact O-N 2.77Å
412	Y	98.9	Very high	95.1	Very high	1 Å²	1	32.3 Å²	32.3	0%	0.004	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	160.8	170.8	59.3	-90.8	0	0	0	111.2	P232 S234 W235 K361 L364 V365 Y422 W423	P232-Y412 WeakPolarHBondContact O-CE2 3.29Å; P232-Y412 PolarHBondContact O-OH 3.44Å; S234-Y412 CarbonylContact C-O 3.53Å; S234-Y412 WeakPolarHBondContact CA-O 3.31Å; W235-Y412 HydrophobicContact CB-CD1 4.01Å; W235-Y412 HydrophobicContact CB-CE1 3.56Å; W235-Y412 HydrophobicContact CB-CE2 4.44Å; W235-Y412 HydrophobicContact CG-CE1 4.5Å; W235-Y412 PolarHBondContact N-O 3.28Å; W235-Y412 PolarHBondContact O-N 3.4Å; W235-Y412 VanDerWaalsContact O-O 3.12Å; K361-Y412 HydrophobicContact CB-CE1 4.31Å; K361-Y412 VanDerWaalsContact CE-CE2 3.47Å; K361-Y412 HydrophobicContact CG-CD1 4.33Å; K361-Y412 HydrophobicContact CG-CE1 4.24Å; L364-Y412 HydrophobicContact CD2-CD1 3.84Å; L364-Y412 HydrophobicContact CD2-CE1 4.31Å; V365-Y412 HydrophobicContact CG2-CE1 3.68Å; V365-Y412 WeakPolarHBondContact CG2-OH 3.04Å; Y412-Y422 VanDerWaalsContact CA-O 3.26Å; Y412-Y422 WeakPolarHBondContact CA-O 3.27Å; Y412-Y422 WeakPolarHBondContact CB-O 3.19Å; Y412-W423 HydrophobicContact CD1-CE3 4.45Å; Y412-W423 AromaticContact CD1-CZ3 3.82Å; Y412-W423 HydrophobicContact CD1-CZ3 3.82Å; Y412-W423 HydrophobicContact CG-CE3 4.44Å; Y412-W423 HydrophobicContact CG-CZ3 4.1Å
413	G	98.6	Very high	96.1	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	-167.8	169.9	0	0	0	0	0	111.7	Y422 R443	G413-Y422 PolarHBondContact N-O 2.93Å; G413-Y422 PolarHBondContact O-N 3.09Å; G413-R443 PolarHBondContact O-NH2 2.92Å
414	T	98.4	Very high	97	Very high	65 Å²	65	30.6 Å²	30.6	40%	0.399	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	128.3	174.2	-53.1	0	0	0	0	106.8	S416 D421	T414-S416 PolarHBondContact O-N 3.45Å; T414-D421 WeakPolarHBondContact CB-OD1 3.21Å; T414-D421 WeakPolarHBondContact CG2-OD1 3.36Å; T414-D421 PolarHBondContact OG1-OD1 3.1Å
415	D	96.4	Very high	97.6	Very high	42 Å²	42	29.5 Å²	29.5	23%	0.225	20%	0.198	C	C	.	.			trans	-70.8	125	176.7	173.6	-95.4	0	0	0	109.9	I387 A417 S418 G419 M420 Y422	I387-D415 HydrophobicContact CD1-CB 3.64Å; D415-A417 VanDerWaalsContact C-N 3.27Å; D415-A417 PolarHBondContact O-N 2.96Å; D415-A417 PolarHBondContact OD1-N 3.16Å; D415-A417 VanDerWaalsContact OD1-N 3.16Å; D415-S418 WeakPolarHBondContact CB-OG 3.47Å; D415-S418 WeakPolarHBondContact OD1-CB 3.29Å; D415-S418 PolarHBondContact OD1-N 3.48Å; D415-S418 PolarHBondContact OD1-OG 2.76Å; D415-G419 WeakPolarHBondContact O-CA 3.3Å; D415-G419 PolarHBondContact O-N 3.32Å; D415-M420 PolarHBondContact N-O 3.47Å; D415-Y422 HydrophobicContact CB-CD1 4.42Å; D415-Y422 HydrophobicContact CB-CE1 4.3Å
416	S	94.1	Very high	97.7	Very high	127 Å²	127	30.3 Å²	30.3	89%	0.888	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-23.1	-173.1	55.5	0	0	0	0	113.7	T414	T414-S416 PolarHBondContact O-N 3.45Å
417	A	93.1	Very high	97.8	Very high	95 Å²	95	30.2 Å²	30.2	79%	0.785	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-41.3	-177.4	0	0	0	0	0	112.1	D415	D415-A417 VanDerWaalsContact C-N 3.27Å; D415-A417 PolarHBondContact O-N 2.96Å; D415-A417 PolarHBondContact OD1-N 3.16Å; D415-A417 VanDerWaalsContact OD1-N 3.16Å
418	S	94.1	Very high	97.8	Very high	73 Å²	73	30.4 Å²	30.4	51%	0.51	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-18	-176.7	61.7	0	0	0	0	113.9	D415 M420	D415-S418 WeakPolarHBondContact CB-OG 3.47Å; D415-S418 WeakPolarHBondContact OD1-CB 3.29Å; D415-S418 PolarHBondContact OD1-N 3.48Å; D415-S418 PolarHBondContact OD1-OG 2.76Å; S418-M420 PolarHBondContact O-N 2.78Å; S418-M420 VanDerWaalsContact OG-CB 3.29Å; S418-M420 WeakPolarHBondContact OG-CB 3.4Å; S418-M420 PolarHBondContact OG-N 2.65Å
419	G	96.1	Very high	97.7	Very high	51 Å²	51	30.4 Å²	30.4	53%	0.526	20%	0.201	S	C	.	.			trans	69.3	11.6	-168.5	0	0	0	0	0	113.3	D415	D415-G419 WeakPolarHBondContact O-CA 3.3Å; D415-G419 PolarHBondContact O-N 3.32Å
420	M	97.3	Very high	97.7	Very high	49 Å²	49	30.8 Å²	30.8	24%	0.241	21%	0.205	C	C	.	.			trans	-80.3	123.8	-176.2	-172.8	171.3	-61.9	0	0	111.3	I387 D415 S418 R442	I387-M420 HydrophobicContact CB-SD 4.07Å; I387-M420 HydrophobicContact CD1-CB 3.84Å; I387-M420 HydrophobicContact CD1-CG 3.96Å; I387-M420 HydrophobicContact CD1-SD 4.22Å; I387-M420 HydrophobicContact CG2-CG 4.21Å; I387-M420 HydrophobicContact CG2-SD 3.69Å; D415-M420 PolarHBondContact N-O 3.47Å; S418-M420 PolarHBondContact O-N 2.78Å; S418-M420 VanDerWaalsContact OG-CB 3.29Å; S418-M420 WeakPolarHBondContact OG-CB 3.4Å; S418-M420 PolarHBondContact OG-N 2.65Å; M420-R442 HydrophobicContact SD-CG 4.49Å
421	D	98.5	Very high	97.6	Very high	55 Å²	55	35 Å²	35	29%	0.294	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	135.5	173.5	-83.7	-7.1	0	0	0	111.3	T414 R443	T414-D421 WeakPolarHBondContact CB-OD1 3.21Å; T414-D421 WeakPolarHBondContact CG2-OD1 3.36Å; T414-D421 PolarHBondContact OG1-OD1 3.1Å; D421-R443 HydrophobicContact CB-CB 4.18Å; D421-R443 VanDerWaalsContact CB-CZ 3.49Å; D421-R443 VanDerWaalsContact CB-NH2 3.3Å; D421-R443 VanDerWaalsContact CG-NH1 3.34Å; D421-R443 PolarHBondContact O-N 3.22Å; D421-R443 IonicContact OD1-CZ 3.24Å; D421-R443 IonicContact OD1-NH1 3.88Å; D421-R443 IonicContact OD1-NH2 3.7Å; D421-R443 PolarHBondContact OD1-NH2 3.41Å; D421-R443 IonicContact OD2-CZ 2.92Å; D421-R443 IonicContact OD2-NH1 3.28Å; D421-R443 PolarHBondContact OD2-NH1 3.37Å; D421-R443 IonicContact OD2-NH2 3.28Å; D421-R443 PolarHBondContact OD2-NH2 2.82Å
422	Y	98.8	Very high	97.5	Very high	39 Å²	39	37.9 Å²	37.9	15%	0.153	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	154.4	179	64.3	-95.5	0	0	0	113.4	I387 Y412 G413 D415 I424 R440 I441 R443	I387-Y422 HydrophobicContact CD1-CD1 3.63Å; I387-Y422 HydrophobicContact CD1-CG 4.18Å; I387-Y422 HydrophobicContact CG1-CD1 4.08Å; I387-Y422 HydrophobicContact CG1-CG 4.23Å; Y412-Y422 VanDerWaalsContact CA-O 3.26Å; Y412-Y422 WeakPolarHBondContact CA-O 3.27Å; Y412-Y422 WeakPolarHBondContact CB-O 3.19Å; G413-Y422 PolarHBondContact N-O 2.93Å; G413-Y422 PolarHBondContact O-N 3.09Å; D415-Y422 HydrophobicContact CB-CD1 4.42Å; D415-Y422 HydrophobicContact CB-CE1 4.3Å; Y422-I424 HydrophobicContact CD2-CG1 3.93Å; Y422-I424 HydrophobicContact CE2-CD1 4.05Å; Y422-I424 HydrophobicContact CE2-CG1 3.61Å; Y422-R440 HydrophobicContact CD2-CB 4.06Å; Y422-R440 HydrophobicContact CD2-CG 3.77Å; Y422-R440 HydrophobicContact CE2-CG 4.11Å; Y422-R440 HydrophobicContact CG-CB 4.3Å; Y422-R440 HydrophobicContact CG-CG 4.43Å; Y422-I441 CarbonylContact C-O 3.4Å; Y422-I441 WeakPolarHBondContact CA-O 3.43Å; Y422-I441 WeakPolarHBondContact CB-O 3.21Å; Y422-R443 PolarHBondContact O-NE 3.31Å
423	W	98.9	Very high	97.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	149	161.6	-69	120.9	0	0	0	110.1	E357 M360 K361 L364 L409 Y412 V425 R440 I441 R443 E451	E357-W423 HydrophobicContact CB-CZ2 4.44Å; E357-W423 HydrophobicContact CG-CH2 4.35Å; E357-W423 HydrophobicContact CG-CZ2 3.66Å; M360-W423 HydrophobicContact CB-CH2 3.94Å; M360-W423 HydrophobicContact CB-CZ2 4.14Å; M360-W423 HydrophobicContact CE-CZ2 4.07Å; K361-W423 HydrophobicContact CB-CH2 4.4Å; K361-W423 HydrophobicContact CD-CH2 4.5Å; K361-W423 HydrophobicContact CG-CH2 3.42Å; K361-W423 VanDerWaalsContact CG-CH2 3.42Å; K361-W423 HydrophobicContact CG-CZ2 4.36Å; K361-W423 HydrophobicContact CG-CZ3 3.98Å; L364-W423 HydrophobicContact CD2-CZ3 4.08Å; L409-W423 HydrophobicContact CD1-CB 3.62Å; L409-W423 HydrophobicContact CD1-CD2 3.78Å; L409-W423 HydrophobicContact CD1-CE3 3.6Å; L409-W423 HydrophobicContact CD1-CG 3.84Å; L409-W423 HydrophobicContact CD1-CZ3 4.45Å; L409-W423 HydrophobicContact CD2-CD2 4.27Å; L409-W423 HydrophobicContact CD2-CE3 3.88Å; L409-W423 HydrophobicContact CD2-CH2 4.37Å; L409-W423 HydrophobicContact CD2-CZ3 3.94Å; L409-W423 HydrophobicContact CG-CE3 4.19Å; Y412-W423 HydrophobicContact CD1-CE3 4.45Å; Y412-W423 AromaticContact CD1-CZ3 3.82Å; Y412-W423 HydrophobicContact CD1-CZ3 3.82Å; Y412-W423 HydrophobicContact CG-CE3 4.44Å; Y412-W423 HydrophobicContact CG-CZ3 4.1Å; W423-V425 HydrophobicContact CB-CG2 4.09Å; W423-R440 WeakPolarHBondContact O-CA 3.17Å; W423-I441 HydrophobicContact CB-CG2 3.84Å; W423-I441 PolarHBondContact N-O 3.31Å; W423-I441 PolarHBondContact O-N 2.77Å; W423-R443 HydrophobicContact CD2-CB 4.16Å; W423-R443 HydrophobicContact CD2-CG 3.95Å; W423-R443 VanDerWaalsContact CE2-CG 3.42Å; W423-R443 HydrophobicContact CG-CB 3.98Å; W423-R443 HydrophobicContact CG-CG 4.3Å; W423-R443 HydrophobicContact CH2-CG 4.48Å; W423-R443 VanDerWaalsContact CZ2-CD 3.44Å; W423-R443 HydrophobicContact CZ2-CG 3.73Å; W423-E451 PolarHBondContact NE1-OE1 3.4Å
424	I	98.9	Very high	97.5	Very high	10 Å²	10	38.6 Å²	38.6	5%	0.051	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	122	171.1	-53	173.6	0	0	0	107.4	D236 V410 G411 Y422 Y438	D236-I424 HydrophobicContact CB-CD1 4.05Å; V410-I424 HydrophobicContact CG2-CB 4.11Å; V410-I424 HydrophobicContact CG2-CG2 3.67Å; V410-I424 WeakPolarHBondContact CG2-O 3.4Å; V410-I424 PolarHBondContact N-O 3.05Å; G411-I424 PolarHBondContact N-O 3.28Å; G411-I424 PolarHBondContact O-N 2.77Å; Y422-I424 HydrophobicContact CD2-CG1 3.93Å; Y422-I424 HydrophobicContact CE2-CD1 4.05Å; Y422-I424 HydrophobicContact CE2-CG1 3.61Å; I424-Y438 HydrophobicContact CG2-CD1 4.47Å
425	V	98.9	Very high	97.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	130.6	-169.2	-170.3	0	0	0	0	110.3	V407 L408 L409 W423 Y438 F439 I441	V407-V425 HydrophobicContact CB-CG1 3.67Å; V407-V425 HydrophobicContact CG2-CG1 3.36Å; L408-V425 CarbonylContact O-C 3.5Å; L408-V425 WeakPolarHBondContact O-CA 3.43Å; L408-V425 WeakPolarHBondContact O-CG1 3.04Å; L409-V425 HydrophobicContact CD1-CG2 3.96Å; W423-V425 HydrophobicContact CB-CG2 4.09Å; V425-Y438 CarbonylContact O-C 3.1Å; V425-Y438 WeakPolarHBondContact O-CA 3.4Å; V425-Y438 WeakPolarHBondContact O-CB 3.31Å; V425-Y438 WeakPolarHBondContact O-CD1 3.31Å; V425-F439 HydrophobicContact CB-CD1 3.9Å; V425-F439 HydrophobicContact CB-CD2 4.27Å; V425-F439 HydrophobicContact CB-CE1 3.49Å; V425-F439 VanDerWaalsContact CB-CE1 3.49Å; V425-F439 HydrophobicContact CB-CE2 3.88Å; V425-F439 HydrophobicContact CB-CG 4.29Å; V425-F439 HydrophobicContact CB-CZ 3.49Å; V425-F439 VanDerWaalsContact CB-CZ 3.49Å; V425-F439 HydrophobicContact CG1-CD1 4.21Å; V425-F439 HydrophobicContact CG1-CE1 3.36Å; V425-F439 HydrophobicContact CG1-CE2 4.25Å; V425-F439 HydrophobicContact CG1-CZ 3.39Å; V425-F439 HydrophobicContact CG2-CE1 4.46Å; V425-F439 HydrophobicContact CG2-CE2 4.01Å; V425-F439 HydrophobicContact CG2-CZ 3.98Å; V425-F439 PolarHBondContact N-O 3.48Å; V425-F439 PolarHBondContact O-N 3.01Å; V425-I441 HydrophobicContact CG2-CG2 3.96Å
426	K	98.9	Very high	97.6	Very high	18 Å²	18	41.8 Å²	41.8	8%	0.078	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	122.3	173.7	-173.6	-175.2	176	-177.2	0	109.3	V246 S247 P248 V249 L408 V410 Y438	V246-K426 HydrophobicContact CG1-CD 3.79Å; S247-K426 WeakPolarHBondContact O-CE 3.5Å; S247-K426 PolarHBondContact O-NZ 3.12Å; S247-K426 PolarHBondContact OG-NZ 2.83Å; P248-K426 VanDerWaalsContact O-CE 3.31Å; P248-K426 WeakPolarHBondContact O-CE 3.26Å; P248-K426 PolarHBondContact O-NZ 2.82Å; V249-K426 HydrophobicContact CG2-CG 4.04Å; L408-K426 HydrophobicContact CB-CB 4.14Å; L408-K426 HydrophobicContact CD2-CB 4.5Å; L408-K426 HydrophobicContact CD2-CD 4Å; L408-K426 PolarHBondContact N-O 3.49Å; L408-K426 VanDerWaalsContact N-O 3.11Å; L408-K426 PolarHBondContact O-N 3.39Å; V410-K426 HydrophobicContact CG1-CB 4.16Å; K426-Y438 VanDerWaalsContact CA-CD1 3.47Å; K426-Y438 HydrophobicContact CB-CD1 3.76Å; K426-Y438 HydrophobicContact CB-CE1 3.37Å; K426-Y438 HydrophobicContact CD-CE1 4.26Å; K426-Y438 HydrophobicContact CG-CD1 4.25Å; K426-Y438 HydrophobicContact CG-CE1 3.62Å
427	N	98.8	Very high	97.8	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.021	23%	0.229	C	C	.	.			trans	-93.6	171.7	174.5	-157.8	-3.2	0	0	0	111.1	H405 W429 W433 G437 F439	H405-N427 PolarHBondContact NE2-OD1 3.17Å; N427-W429 VanDerWaalsContact ND2-CD2 3.26Å; N427-W433 HydrophobicContact CB-CE3 3.87Å; N427-W433 HydrophobicContact CB-CH2 4.42Å; N427-W433 HydrophobicContact CB-CZ3 3.61Å; N427-W433 VanDerWaalsContact ND2-CE3 3.35Å; N427-W433 VanDerWaalsContact ND2-CH2 3.29Å; N427-W433 WeakPolarHBondContact ND2-CH2 3.37Å; N427-W433 WeakPolarHBondContact ND2-CZ3 3.36Å; N427-G437 WeakPolarHBondContact CB-O 3.2Å; N427-G437 PolarHBondContact N-O 2.87Å; N427-F439 HydrophobicContact CB-CD1 4.25Å; N427-F439 HydrophobicContact CB-CE1 4.31Å
428	S	98.4	Very high	98.1	Very high	6 Å²	6	32.2 Å²	32.2	4%	0.042	20%	0.196	C	C	.	.	S	Bend	trans	-117.9	30.4	-179.9	46.4	0	0	0	0	112.1	R250 N251 Q252	R250-S428 CarbonylContact O-C 3.59Å; R250-S428 WeakPolarHBondContact O-CA 3.4Å; N251-S428 CarbonylContact C-O 3.32Å; N251-S428 VanDerWaalsContact CA-O 3.31Å; N251-S428 WeakPolarHBondContact CA-O 3.42Å; Q252-S428 PolarHBondContact N-O 2.86Å; Q252-S428 PolarHBondContact OE1-OG 2.85Å
429	W	98.1	Very high	98.3	Very high	3 Å²	3	28.8 Å²	28.8	1%	0.011	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-108.8	15.3	-176.9	-67.6	-7.7	0	0	0	113.9	R204 N251 V376 F380 L381 H405 N427 W433	R204-W429 PolarHBondContact O-NE1 2.86Å; N251-W429 PolarHBondContact ND2-O 3.28Å; V376-W429 HydrophobicContact CG1-CH2 4.3Å; V376-W429 HydrophobicContact CG2-CH2 4.36Å; F380-W429 AromaticContact CD1-CH2 3.89Å; F380-W429 HydrophobicContact CD1-CH2 3.89Å; F380-W429 AromaticContact CD1-CZ3 3.92Å; F380-W429 HydrophobicContact CD1-CZ3 3.92Å; F380-W429 AromaticContact CE1-CH2 3.84Å; F380-W429 HydrophobicContact CE1-CH2 3.84Å; F380-W429 AromaticContact CE1-CZ3 3.73Å; F380-W429 HydrophobicContact CE1-CZ3 3.73Å; L381-W429 HydrophobicContact CD2-CH2 3.98Å; L381-W429 HydrophobicContact CD2-CZ3 4.26Å; H405-W429 AromaticContact CD2-CZ2 3.61Å; H405-W429 AromaticContact CE1-CE2 3.87Å; H405-W429 AromaticContact CE1-CZ2 3.92Å; H405-W429 AromaticContact CE1-NE1 3.47Å; H405-W429 PolarHBondContact CE1-NE1 3.35Å; H405-W429 AromaticContact NE2-CE2 3.47Å; H405-W429 AromaticContact NE2-CZ2 3.45Å; H405-W429 WeakPolarHBondContact NE2-CZ2 3.28Å; H405-W429 AromaticContact NE2-NE1 3.46Å; H405-W429 PolarHBondContact NE2-NE1 3.08Å; N427-W429 VanDerWaalsContact ND2-CD2 3.26Å; W429-W433 HydrophobicContact CB-CB 4.25Å; W429-W433 HydrophobicContact CB-CD2 4.5Å; W429-W433 HydrophobicContact CB-CG 4.22Å; W429-W433 AromaticContact CE3-CD1 3.96Å; W429-W433 AromaticContact CE3-CD2 3.88Å; W429-W433 HydrophobicContact CE3-CD2 3.88Å; W429-W433 AromaticContact CE3-CE2 3.51Å; W429-W433 HydrophobicContact CE3-CG 4.15Å; W429-W433 AromaticContact CE3-CZ2 3.91Å; W429-W433 HydrophobicContact CE3-CZ2 3.91Å; W429-W433 AromaticContact CE3-NE1 3.56Å; W429-W433 AromaticContact CZ3-CE2 3.77Å; W429-W433 AromaticContact CZ3-CZ2 3.78Å; W429-W433 HydrophobicContact CZ3-CZ2 3.78Å; W429-W433 AromaticContact CZ3-NE1 3.83Å
430	G	98.1	Very high	98.5	Very high	8 Å²	8	28.9 Å²	28.9	8%	0.082	16%	0.156	C	C	.	.			trans	89.8	162.7	-177.2	0	0	0	0	0	113.2	R250 S432 W433 G437	R250-G430 PolarHBondContact O-N 3.24Å; G430-S432 VanDerWaalsContact C-N 3.3Å; G430-S432 PolarHBondContact O-N 2.96Å; G430-W433 PolarHBondContact O-N 3.13Å; G430-G437 WeakPolarHBondContact O-CA 3.29Å
431	T	98.2	Very high	98.5	Very high	89 Å²	89	26.5 Å²	26.5	55%	0.546	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-19	-177.9	49.8	0	0	0	0	113.5	V249 W433 D436 G437	V249-T431 HydrophobicContact CB-CG2 3.77Å; V249-T431 HydrophobicContact CG1-CG2 4.07Å; T431-W433 PolarHBondContact O-N 3.12Å; T431-D436 CarbonylContact O-C 3.46Å; T431-D436 WeakPolarHBondContact O-CA 3.39Å; T431-G437 PolarHBondContact O-N 2.76Å
432	S	96.9	Very high	98.5	Very high	60 Å²	60	28 Å²	28	42%	0.42	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-23.2	175.7	49.6	0	0	0	0	112.6	Y190 E192 G430	Y190-S432 WeakPolarHBondContact CE1-O 3.44Å; E192-S432 PolarHBondContact OE1-OG 2.69Å; E192-S432 PolarHBondContact OE2-OG 2.78Å; E192-S432 VanDerWaalsContact OE2-OG 3.04Å; G430-S432 VanDerWaalsContact C-N 3.3Å; G430-S432 PolarHBondContact O-N 2.96Å
433	W	98.3	Very high	98.5	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.008	14%	0.141	C	C	.	.	S	Bend	trans	-86.9	136.4	-177.7	-178	86.7	0	0	0	111.9	Y190 Y193 F380 Y383 N427 W429 G430 T431 G437 F439	Y190-W433 AromaticContact CD2-CD1 3.94Å; Y190-W433 HydrophobicContact CE1-CB 4.36Å; Y190-W433 HydrophobicContact CE1-CG 4.48Å; Y190-W433 AromaticContact CE2-CD1 3.48Å; Y190-W433 VanDerWaalsContact CE2-CD1 3.48Å; Y190-W433 HydrophobicContact CE2-CG 4.49Å; Y190-W433 AromaticContact CE2-NE1 3.74Å; Y190-W433 AromaticContact CZ-CD1 3.55Å; Y193-W433 PolarHBondContact OH-NE1 3.36Å; Y193-W433 VanDerWaalsContact OH-NE1 3.17Å; F380-W433 HydrophobicContact CD1-CZ2 4.19Å; F380-W433 AromaticContact CE1-CH2 3.66Å; F380-W433 HydrophobicContact CE1-CH2 3.66Å; F380-W433 AromaticContact CE1-CZ2 3.53Å; F380-W433 HydrophobicContact CE1-CZ2 3.53Å; F380-W433 HydrophobicContact CE2-CH2 4.21Å; F380-W433 HydrophobicContact CE2-CZ2 4.44Å; F380-W433 AromaticContact CZ-CH2 3.4Å; F380-W433 HydrophobicContact CZ-CH2 3.4Å; F380-W433 AromaticContact CZ-CZ2 3.71Å; F380-W433 HydrophobicContact CZ-CZ2 3.71Å; Y383-W433 AromaticContact CD1-CH2 3.82Å; Y383-W433 HydrophobicContact CD1-CH2 3.82Å; Y383-W433 HydrophobicContact CD1-CZ2 4.04Å; Y383-W433 HydrophobicContact CD1-CZ3 4.35Å; Y383-W433 HydrophobicContact CG-CH2 4.46Å; Y383-W433 HydrophobicContact CG-CZ2 4.43Å; N427-W433 HydrophobicContact CB-CE3 3.87Å; N427-W433 HydrophobicContact CB-CH2 4.42Å; N427-W433 HydrophobicContact CB-CZ3 3.61Å; N427-W433 VanDerWaalsContact ND2-CE3 3.35Å; N427-W433 VanDerWaalsContact ND2-CH2 3.29Å; N427-W433 WeakPolarHBondContact ND2-CH2 3.37Å; N427-W433 WeakPolarHBondContact ND2-CZ3 3.36Å; W429-W433 HydrophobicContact CB-CB 4.25Å; W429-W433 HydrophobicContact CB-CD2 4.5Å; W429-W433 HydrophobicContact CB-CG 4.22Å; W429-W433 AromaticContact CE3-CD1 3.96Å; W429-W433 AromaticContact CE3-CD2 3.88Å; W429-W433 HydrophobicContact CE3-CD2 3.88Å; W429-W433 AromaticContact CE3-CE2 3.51Å; W429-W433 HydrophobicContact CE3-CG 4.15Å; W429-W433 AromaticContact CE3-CZ2 3.91Å; W429-W433 HydrophobicContact CE3-CZ2 3.91Å; W429-W433 AromaticContact CE3-NE1 3.56Å; W429-W433 AromaticContact CZ3-CE2 3.77Å; W429-W433 AromaticContact CZ3-CZ2 3.78Å; W429-W433 HydrophobicContact CZ3-CZ2 3.78Å; W429-W433 AromaticContact CZ3-NE1 3.83Å; G430-W433 PolarHBondContact O-N 3.13Å; T431-W433 PolarHBondContact O-N 3.12Å; W433-G437 WeakPolarHBondContact O-CA 3.46Å; W433-G437 PolarHBondContact O-N 2.98Å; W433-F439 HydrophobicContact CH2-CB 3.81Å; W433-F439 AromaticContact CH2-CD1 3.75Å; W433-F439 HydrophobicContact CH2-CD1 3.75Å; W433-F439 AromaticContact CH2-CG 3.98Å; W433-F439 HydrophobicContact CH2-CG 3.98Å; W433-F439 HydrophobicContact CZ3-CB 3.96Å; W433-F439 AromaticContact CZ3-CD1 3.78Å; W433-F439 HydrophobicContact CZ3-CD1 3.78Å; W433-F439 HydrophobicContact CZ3-CG 4.25Å
434	G	98.4	Very high	98.4	Very high	14 Å²	14	28.3 Å²	28.3	14%	0.144	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	-140.4	174.6	0	0	0	0	0	113.4	Y190 Q384 D436	Y190-G434 PolarHBondContact OH-N 3.37Å; Q384-G434 CarbonylContact O-C 3.48Å; Q384-G434 WeakPolarHBondContact O-CA 3.5Å; G434-D436 PolarHBondContact O-N 2.95Å
435	E	98.6	Very high	98.2	Very high	45 Å²	45	31.2 Å²	31.2	21%	0.21	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-90.3	77.8	179.4	-58.6	-176.7	149.8	0	0	109.3	Y383 Q384 N385 G386 G437 Y438 R440	Y383-E435 HydrophobicContact CE1-CG 4.15Å; Y383-E435 PolarHBondContact OH-OE1 3.29Å; Y383-E435 PolarHBondContact OH-OE2 3.12Å; Q384-E435 PolarHBondContact O-N 3.44Å; N385-E435 WeakPolarHBondContact CA-OE1 3.16Å; N385-E435 HydrophobicContact CB-CG 3.97Å; N385-E435 WeakPolarHBondContact CB-OE1 3.49Å; G386-E435 PolarHBondContact N-OE1 3.16Å; E435-G437 VanDerWaalsContact C-N 3.28Å; E435-G437 PolarHBondContact O-N 3.01Å; E435-Y438 PolarHBondContact N-O 3.47Å; E435-Y438 WeakPolarHBondContact O-CB 3.29Å; E435-Y438 PolarHBondContact O-N 3.15Å; E435-R440 IonicContact OE1-CZ 2.86Å; E435-R440 IonicContact OE1-NE 3.3Å; E435-R440 PolarHBondContact OE1-NE 2.78Å; E435-R440 IonicContact OE1-NH2 3.56Å; E435-R440 PolarHBondContact OE1-NH2 3.28Å; E435-R440 IonicContact OE2-CZ 3.73Å; E435-R440 IonicContact OE2-NE 2.84Å; E435-R440 PolarHBondContact OE2-NE 2.75Å; E435-R440 IonicContact OE2-NH2 3.86Å
436	D	98.4	Very high	98.1	Very high	129 Å²	129	33.4 Å²	33.4	69%	0.69	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.5	38.3	-175.6	-61	-50.1	0	0	0	113.4	T431 G434 Y438	T431-D436 CarbonylContact O-C 3.46Å; T431-D436 WeakPolarHBondContact O-CA 3.39Å; G434-D436 PolarHBondContact O-N 2.95Å; D436-Y438 WeakPolarHBondContact O-CD2 3.15Å
437	G	98.6	Very high	98	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.7	2.3	-175.6	0	0	0	0	0	115	N427 G430 T431 W433 E435	N427-G437 WeakPolarHBondContact CB-O 3.2Å; N427-G437 PolarHBondContact N-O 2.87Å; G430-G437 WeakPolarHBondContact O-CA 3.29Å; T431-G437 PolarHBondContact O-N 2.76Å; W433-G437 WeakPolarHBondContact O-CA 3.46Å; W433-G437 PolarHBondContact O-N 2.98Å; E435-G437 VanDerWaalsContact C-N 3.28Å; E435-G437 PolarHBondContact O-N 3.01Å
438	Y	98.9	Very high	97.8	Very high	22 Å²	22	33.7 Å²	33.7	9%	0.086	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	167.1	174.7	-64.3	-100.3	0	0	0	111.1	R238 V249 V410 I424 V425 K426 E435 D436	R238-Y438 VanDerWaalsContact CD-CE1 3.43Å; R238-Y438 HydrophobicContact CG-CE1 4.38Å; R238-Y438 VanDerWaalsContact NH1-CG 3.26Å; V249-Y438 HydrophobicContact CG2-CD2 4.04Å; V249-Y438 HydrophobicContact CG2-CE2 3.43Å; V249-Y438 VanDerWaalsContact CG2-CE2 3.43Å; V410-Y438 HydrophobicContact CG2-CD1 4.15Å; V410-Y438 HydrophobicContact CG2-CE1 3.95Å; I424-Y438 HydrophobicContact CG2-CD1 4.47Å; V425-Y438 CarbonylContact O-C 3.1Å; V425-Y438 WeakPolarHBondContact O-CA 3.4Å; V425-Y438 WeakPolarHBondContact O-CB 3.31Å; V425-Y438 WeakPolarHBondContact O-CD1 3.31Å; K426-Y438 VanDerWaalsContact CA-CD1 3.47Å; K426-Y438 HydrophobicContact CB-CD1 3.76Å; K426-Y438 HydrophobicContact CB-CE1 3.37Å; K426-Y438 HydrophobicContact CD-CE1 4.26Å; K426-Y438 HydrophobicContact CG-CD1 4.25Å; K426-Y438 HydrophobicContact CG-CE1 3.62Å; E435-Y438 PolarHBondContact N-O 3.47Å; E435-Y438 WeakPolarHBondContact O-CB 3.29Å; E435-Y438 PolarHBondContact O-N 3.15Å; D436-Y438 WeakPolarHBondContact O-CD2 3.15Å
439	F	98.9	Very high	97.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	159.8	166.5	66.1	-80.8	0	0	0	110.4	F374 F380 Y383 V407 V425 N427 W433 I441	F374-F439 HydrophobicContact CD1-CZ 4.43Å; F374-F439 AromaticContact CE1-CZ 3.83Å; F374-F439 HydrophobicContact CE1-CZ 3.83Å; F374-F439 HydrophobicContact CZ-CE2 4.42Å; F374-F439 AromaticContact CZ-CZ 3.89Å; F374-F439 HydrophobicContact CZ-CZ 3.89Å; F380-F439 AromaticContact CE2-CD2 3.64Å; F380-F439 HydrophobicContact CE2-CD2 3.64Å; F380-F439 AromaticContact CE2-CE2 3.74Å; F380-F439 HydrophobicContact CE2-CE2 3.74Å; F380-F439 HydrophobicContact CE2-CG 4.04Å; F380-F439 HydrophobicContact CE2-CZ 4.21Å; F380-F439 AromaticContact CZ-CD1 3.9Å; F380-F439 HydrophobicContact CZ-CD1 3.9Å; F380-F439 AromaticContact CZ-CD2 3.82Å; F380-F439 HydrophobicContact CZ-CD2 3.82Å; F380-F439 AromaticContact CZ-CE1 3.84Å; F380-F439 HydrophobicContact CZ-CE1 3.84Å; F380-F439 AromaticContact CZ-CE2 3.77Å; F380-F439 HydrophobicContact CZ-CE2 3.77Å; F380-F439 AromaticContact CZ-CG 3.86Å; F380-F439 HydrophobicContact CZ-CG 3.86Å; F380-F439 AromaticContact CZ-CZ 3.76Å; F380-F439 HydrophobicContact CZ-CZ 3.76Å; Y383-F439 HydrophobicContact CD1-CB 3.72Å; Y383-F439 HydrophobicContact CE1-CB 3.26Å; Y383-F439 HydrophobicContact CE2-CB 4.37Å; Y383-F439 HydrophobicContact CG-CB 4.44Å; V407-F439 HydrophobicContact CG1-CE1 4.31Å; V407-F439 HydrophobicContact CG2-CE1 4.45Å; V407-F439 HydrophobicContact CG2-CZ 4.19Å; V425-F439 HydrophobicContact CB-CD1 3.9Å; V425-F439 HydrophobicContact CB-CD2 4.27Å; V425-F439 HydrophobicContact CB-CE1 3.49Å; V425-F439 VanDerWaalsContact CB-CE1 3.49Å; V425-F439 HydrophobicContact CB-CE2 3.88Å; V425-F439 HydrophobicContact CB-CG 4.29Å; V425-F439 HydrophobicContact CB-CZ 3.49Å; V425-F439 VanDerWaalsContact CB-CZ 3.49Å; V425-F439 HydrophobicContact CG1-CD1 4.21Å; V425-F439 HydrophobicContact CG1-CE1 3.36Å; V425-F439 HydrophobicContact CG1-CE2 4.25Å; V425-F439 HydrophobicContact CG1-CZ 3.39Å; V425-F439 HydrophobicContact CG2-CE1 4.46Å; V425-F439 HydrophobicContact CG2-CE2 4.01Å; V425-F439 HydrophobicContact CG2-CZ 3.98Å; V425-F439 PolarHBondContact N-O 3.48Å; V425-F439 PolarHBondContact O-N 3.01Å; N427-F439 HydrophobicContact CB-CD1 4.25Å; N427-F439 HydrophobicContact CB-CE1 4.31Å; W433-F439 HydrophobicContact CH2-CB 3.81Å; W433-F439 AromaticContact CH2-CD1 3.75Å; W433-F439 HydrophobicContact CH2-CD1 3.75Å; W433-F439 AromaticContact CH2-CG 3.98Å; W433-F439 HydrophobicContact CH2-CG 3.98Å; W433-F439 HydrophobicContact CZ3-CB 3.96Å; W433-F439 AromaticContact CZ3-CD1 3.78Å; W433-F439 HydrophobicContact CZ3-CD1 3.78Å; W433-F439 HydrophobicContact CZ3-CG 4.25Å; F439-I441 HydrophobicContact CD2-CB 4.09Å; F439-I441 HydrophobicContact CD2-CG2 4.33Å; F439-I441 HydrophobicContact CE2-CB 3.91Å; F439-I441 HydrophobicContact CE2-CD1 4.44Å; F439-I441 HydrophobicContact CE2-CG2 3.86Å
440	R	98.8	Very high	97.6	Very high	53 Å²	53	34.3 Å²	34.3	20%	0.2	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	137.5	167.8	-64.8	172.9	-72.8	153.3	-1.4	109.5	Y383 G386 I387 Y388 Y422 W423 E435	Y383-R440 PolarHBondContact OH-N 3.45Å; Y383-R440 VanDerWaalsContact OH-N 3.1Å; G386-R440 WeakPolarHBondContact O-CB 3.38Å; I387-R440 HydrophobicContact CG1-CB 4.37Å; Y388-R440 WeakPolarHBondContact CB-O 3.39Å; Y388-R440 PolarHBondContact N-O 3.33Å; Y422-R440 HydrophobicContact CD2-CB 4.06Å; Y422-R440 HydrophobicContact CD2-CG 3.77Å; Y422-R440 HydrophobicContact CE2-CG 4.11Å; Y422-R440 HydrophobicContact CG-CB 4.3Å; Y422-R440 HydrophobicContact CG-CG 4.43Å; W423-R440 WeakPolarHBondContact O-CA 3.17Å; E435-R440 IonicContact OE1-CZ 2.86Å; E435-R440 IonicContact OE1-NE 3.3Å; E435-R440 PolarHBondContact OE1-NE 2.78Å; E435-R440 IonicContact OE1-NH2 3.56Å; E435-R440 PolarHBondContact OE1-NH2 3.28Å; E435-R440 IonicContact OE2-CZ 3.73Å; E435-R440 IonicContact OE2-NE 2.84Å; E435-R440 PolarHBondContact OE2-NE 2.75Å; E435-R440 IonicContact OE2-NH2 3.86Å
441	I	98.8	Very high	97.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	145.1	-179.7	-177.9	166.9	0	0	0	109.5	F374 Y388 Y422 W423 V425 F439 R443 E447 C448 I450	F374-I441 HydrophobicContact CD2-CD1 4.34Å; Y388-I441 HydrophobicContact CD1-CD1 3.87Å; Y388-I441 HydrophobicContact CD1-CG1 3.97Å; Y388-I441 HydrophobicContact CE1-CD1 4.35Å; Y422-I441 CarbonylContact C-O 3.4Å; Y422-I441 WeakPolarHBondContact CA-O 3.43Å; Y422-I441 WeakPolarHBondContact CB-O 3.21Å; W423-I441 HydrophobicContact CB-CG2 3.84Å; W423-I441 PolarHBondContact N-O 3.31Å; W423-I441 PolarHBondContact O-N 2.77Å; V425-I441 HydrophobicContact CG2-CG2 3.96Å; F439-I441 HydrophobicContact CD2-CB 4.09Å; F439-I441 HydrophobicContact CD2-CG2 4.33Å; F439-I441 HydrophobicContact CE2-CB 3.91Å; F439-I441 HydrophobicContact CE2-CD1 4.44Å; F439-I441 HydrophobicContact CE2-CG2 3.86Å; I441-R443 PolarHBondContact O-N 3.31Å; I441-E447 HydrophobicContact CD1-CB 4.3Å; I441-E447 HydrophobicContact CD1-CG 3.89Å; I441-E447 HydrophobicContact CG1-CB 4.1Å; I441-E447 HydrophobicContact CG1-CG 3.7Å; I441-C448 HydrophobicContact CD1-CB 4.48Å; I441-I450 HydrophobicContact CD1-CB 4.3Å; I441-I450 HydrophobicContact CD1-CG2 4.41Å; I441-I450 HydrophobicContact CG2-CG1 4.19Å
442	R	98.6	Very high	97.3	Very high	85 Å²	85	30.8 Å²	30.8	32%	0.321	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.8	132.6	179.8	-172.9	178.9	-177.7	170.1	1.1	111.5	I387 Y388 M420 E447	I387-R442 HydrophobicContact CG2-CB 4.34Å; Y388-R442 PolarHBondContact O-N 3.28Å; M420-R442 HydrophobicContact SD-CG 4.49Å; R442-E447 HydrophobicContact CB-CB 4.07Å; R442-E447 HydrophobicContact CB-CG 4.07Å; R442-E447 WeakPolarHBondContact O-CB 3.43Å
443	R	98.4	Very high	97.2	Very high	12 Å²	12	29 Å²	29	5%	0.045	16%	0.158	C	C	.	.			trans	-107.4	148.6	180	169.9	172.4	59.7	71.3	1.5	111.4	E357 G413 D421 Y422 W423 I441	E357-R443 HydrophobicContact CG-CG 3.69Å; E357-R443 WeakPolarHBondContact OE1-CD 3.35Å; E357-R443 WeakPolarHBondContact OE1-CG 3.48Å; E357-R443 IonicContact OE1-CZ 3.8Å; E357-R443 IonicContact OE1-NE 3.86Å; E357-R443 IonicContact OE1-NH1 2.69Å; E357-R443 PolarHBondContact OE1-NH1 3.09Å; G413-R443 PolarHBondContact O-NH2 2.92Å; D421-R443 HydrophobicContact CB-CB 4.18Å; D421-R443 VanDerWaalsContact CB-CZ 3.49Å; D421-R443 VanDerWaalsContact CB-NH2 3.3Å; D421-R443 VanDerWaalsContact CG-NH1 3.34Å; D421-R443 PolarHBondContact O-N 3.22Å; D421-R443 IonicContact OD1-CZ 3.24Å; D421-R443 IonicContact OD1-NH1 3.88Å; D421-R443 IonicContact OD1-NH2 3.7Å; D421-R443 PolarHBondContact OD1-NH2 3.41Å; D421-R443 IonicContact OD2-CZ 2.92Å; D421-R443 IonicContact OD2-NH1 3.28Å; D421-R443 PolarHBondContact OD2-NH1 3.37Å; D421-R443 IonicContact OD2-NH2 3.28Å; D421-R443 PolarHBondContact OD2-NH2 2.82Å; Y422-R443 PolarHBondContact O-NE 3.31Å; W423-R443 HydrophobicContact CD2-CB 4.16Å; W423-R443 HydrophobicContact CD2-CG 3.95Å; W423-R443 VanDerWaalsContact CE2-CG 3.42Å; W423-R443 HydrophobicContact CG-CB 3.98Å; W423-R443 HydrophobicContact CG-CG 4.3Å; W423-R443 HydrophobicContact CH2-CG 4.48Å; W423-R443 VanDerWaalsContact CZ2-CD 3.44Å; W423-R443 HydrophobicContact CZ2-CG 3.73Å; I441-R443 PolarHBondContact O-N 3.31Å
444	G	96.6	Very high	97.2	Very high	35 Å²	35	28.9 Å²	28.9	36%	0.361	16%	0.158	S	C	.	.	S	Bend	trans	89.8	4.9	172.1	0	0	0	0	0	115.2	E357 E451	E357-G444 VanDerWaalsContact OE2-CA 3.24Å; E357-G444 WeakPolarHBondContact OE2-CA 3.45Å; G444-E451 PolarHBondContact N-OE1 2.71Å
445	T	95.6	Very high	97.3	Very high	71 Å²	71	28.3 Å²	28.3	44%	0.436	15%	0.152	S	C	.	.	S	Bend	trans	-129.1	13.9	-178.3	59.8	0	0	0	0	113.4	E447	T445-E447 PolarHBondContact O-N 2.79Å
446	D	95.6	Very high	97.3	Very high	45 Å²	45	26.2 Å²	26.2	24%	0.241	14%	0.142	C	C	.	.			trans	48.4	42.3	-171.6	-167.5	37.5	0	0	0	112.2	R214 C448 A449 E451 S452	R214-D446 IonicContact CZ-OD2 3.31Å; R214-D446 IonicContact NH1-OD2 2.77Å; R214-D446 PolarHBondContact NH1-OD2 3.12Å; R214-D446 IonicContact NH2-OD2 3.16Å; R214-D446 PolarHBondContact NH2-OD2 3.17Å; D446-C448 PolarHBondContact O-N 2.82Å; D446-A449 PolarHBondContact O-N 2.97Å; D446-A449 WeakPolarHBondContact OD1-CA 3.43Å; D446-E451 WeakPolarHBondContact CA-OE2 3.11Å; D446-E451 HydrophobicContact CB-CB 4.28Å; D446-E451 PolarHBondContact N-OE2 3.11Å; D446-E451 WeakPolarHBondContact OD1-CA 3.38Å; D446-E451 WeakPolarHBondContact OD1-CB 3.4Å; D446-E451 PolarHBondContact OD1-N 3.28Å; D446-S452 PolarHBondContact OD1-OG 3.29Å; D446-S452 PolarHBondContact OD2-OG 3.3Å
447	E	97.1	Very high	97.3	Very high	18 Å²	18	20 Å²	20	8%	0.084	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-53.4	122.8	-178.3	-178.4	64.1	-161.4	0	0	110.3	H389 H390 I441 R442 T445 A449 I450	H389-E447 WeakPolarHBondContact CA-OE1 3.38Å; H389-E447 IonicContact CE1-OE1 2.74Å; H389-E447 IonicContact CE1-OE2 3.08Å; H389-E447 PolarHBondContact CE1-OE2 2.76Å; H389-E447 VanDerWaalsContact CE1-OE2 3.31Å; H389-E447 IonicContact CG-OE1 3.85Å; H389-E447 IonicContact ND1-OE1 3.92Å; H389-E447 PolarHBondContact ND1-OE1 3.05Å; H389-E447 IonicContact ND1-OE2 2.96Å; H389-E447 PolarHBondContact ND1-OE2 3.36Å; H390-E447 PolarHBondContact N-OE1 2.97Å; I441-E447 HydrophobicContact CD1-CB 4.3Å; I441-E447 HydrophobicContact CD1-CG 3.89Å; I441-E447 HydrophobicContact CG1-CB 4.1Å; I441-E447 HydrophobicContact CG1-CG 3.7Å; R442-E447 HydrophobicContact CB-CB 4.07Å; R442-E447 HydrophobicContact CB-CG 4.07Å; R442-E447 WeakPolarHBondContact O-CB 3.43Å; T445-E447 PolarHBondContact O-N 2.79Å; E447-A449 PolarHBondContact O-N 2.76Å; E447-I450 HydrophobicContact CB-CG2 4.47Å; E447-I450 WeakPolarHBondContact O-CB 3.35Å; E447-I450 WeakPolarHBondContact O-CG2 3.05Å; E447-I450 PolarHBondContact O-N 3.31Å
448	C	95.4	Very high	97.3	Very high	11 Å²	11	22.1 Å²	22.1	7%	0.074	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	49.3	33.1	-175.8	-58.8	0	0	0	0	113.5	F374 E375 Y377 I441 D446 I450	F374-C448 CarbonylContact C-O 3.56Å; F374-C448 VanDerWaalsContact CA-O 3.24Å; F374-C448 WeakPolarHBondContact CA-O 3.41Å; F374-C448 HydrophobicContact CB-CB 4.37Å; F374-C448 VanDerWaalsContact CB-O 3.29Å; F374-C448 WeakPolarHBondContact CB-O 3.46Å; F374-C448 HydrophobicContact CD2-CB 4.14Å; E375-C448 HydrophobicContact CB-CB 4.21Å; E375-C448 PolarHBondContact N-O 2.71Å; E375-C448 WeakPolarHBondContact O-CB 3.45Å; Y377-C448 HydrophobicContact CE2-CB 4.31Å; I441-C448 HydrophobicContact CD1-CB 4.48Å; D446-C448 PolarHBondContact O-N 2.82Å; C448-I450 PolarHBondContact O-N 3.03Å
449	A	94.9	Very high	97.3	Very high	21 Å²	21	21.3 Å²	21.3	17%	0.174	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	63.8	17.3	-177	0	0	0	0	0	115.7	E375 D446 E447 E451 S452	E375-A449 HydrophobicContact CG-CB 4.34Å; D446-A449 PolarHBondContact O-N 2.97Å; D446-A449 WeakPolarHBondContact OD1-CA 3.43Å; E447-A449 PolarHBondContact O-N 2.76Å; A449-E451 PolarHBondContact O-N 3.13Å; A449-E451 VanDerWaalsContact O-N 3.08Å; A449-S452 WeakPolarHBondContact CA-OG 3.23Å; A449-S452 WeakPolarHBondContact CB-OG 3.44Å; A449-S452 WeakPolarHBondContact O-CB 3.26Å; A449-S452 PolarHBondContact O-N 3.45Å; A449-S452 PolarHBondContact O-OG 3.11Å
450	I	97.3	Very high	97.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-21.8	-179.3	-167.1	69.4	0	0	0	113.3	V372 F374 V407 I441 E447 C448	V372-I450 HydrophobicContact CB-CD1 4.25Å; V372-I450 HydrophobicContact CG2-CD1 3.54Å; V372-I450 HydrophobicContact CG2-CG1 4.42Å; F374-I450 HydrophobicContact CB-CB 3.99Å; F374-I450 HydrophobicContact CB-CD1 3.65Å; F374-I450 HydrophobicContact CB-CG1 4.4Å; F374-I450 HydrophobicContact CD1-CD1 4.01Å; F374-I450 HydrophobicContact CG-CD1 4Å; V407-I450 HydrophobicContact CG2-CD1 4.42Å; I441-I450 HydrophobicContact CD1-CB 4.3Å; I441-I450 HydrophobicContact CD1-CG2 4.41Å; I441-I450 HydrophobicContact CG2-CG1 4.19Å; E447-I450 HydrophobicContact CB-CG2 4.47Å; E447-I450 WeakPolarHBondContact O-CB 3.35Å; E447-I450 WeakPolarHBondContact O-CG2 3.05Å; E447-I450 PolarHBondContact O-N 3.31Å; C448-I450 PolarHBondContact O-N 3.03Å
451	E	97.1	Very high	97.2	Very high	13 Å²	13	24.4 Å²	24.4	6%	0.061	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	20.2	-176.7	-61.1	170.8	170.5	0	0	112.9	C355 M360 W423 G444 D446 A449	C355-E451 CarbonylContact C-O 3.43Å; C355-E451 WeakPolarHBondContact CB-O 3.34Å; C355-E451 PolarHBondContact SG-O 3.36Å; M360-E451 HydrophobicContact CE-CG 4.2Å; M360-E451 VanDerWaalsContact SD-CA 3.52Å; M360-E451 HydrophobicContact SD-CB 3.79Å; M360-E451 HydrophobicContact SD-CG 3.87Å; W423-E451 PolarHBondContact NE1-OE1 3.4Å; G444-E451 PolarHBondContact N-OE1 2.71Å; D446-E451 WeakPolarHBondContact CA-OE2 3.11Å; D446-E451 HydrophobicContact CB-CB 4.28Å; D446-E451 PolarHBondContact N-OE2 3.11Å; D446-E451 WeakPolarHBondContact OD1-CA 3.38Å; D446-E451 WeakPolarHBondContact OD1-CB 3.4Å; D446-E451 PolarHBondContact OD1-N 3.28Å; A449-E451 PolarHBondContact O-N 3.13Å; A449-E451 VanDerWaalsContact O-N 3.08Å
452	S	92.9	Very high	97.1	Very high	11 Å²	11	28 Å²	28	8%	0.077	16%	0.156	C	C	.	.	S	Bend	trans	-106	-31.7	-166.1	-60.5	0	0	0	0	116.1	R214 D446 A449	R214-S452 PolarHBondContact NH1-OG 3.49Å; D446-S452 PolarHBondContact OD1-OG 3.29Å; D446-S452 PolarHBondContact OD2-OG 3.3Å; A449-S452 WeakPolarHBondContact CA-OG 3.23Å; A449-S452 WeakPolarHBondContact CB-OG 3.44Å; A449-S452 WeakPolarHBondContact O-CB 3.26Å; A449-S452 PolarHBondContact O-N 3.45Å; A449-S452 PolarHBondContact O-OG 3.11Å
453	I	94.8	Very high	96.7	Very high	22 Å²	22	35.4 Å²	35.4	11%	0.113	20%	0.201	C	C	.	.			trans	-142.1	41.4	-168.9	-164.7	174.5	0	0	0	110.8	Y88 Y347 Y352 A373 V455	Y88-I453 HydrophobicContact CD2-CD1 4.32Å; Y347-I453 HydrophobicContact CD1-CG1 4.1Å; Y347-I453 HydrophobicContact CE1-CD1 4.09Å; Y347-I453 HydrophobicContact CE1-CG1 3.42Å; Y347-I453 VanDerWaalsContact CE1-CG1 3.42Å; Y352-I453 HydrophobicContact CD2-CB 4.43Å; Y352-I453 HydrophobicContact CD2-CD1 4Å; Y352-I453 HydrophobicContact CD2-CG1 3.89Å; Y352-I453 HydrophobicContact CE2-CB 4.1Å; Y352-I453 HydrophobicContact CE2-CD1 3.72Å; Y352-I453 HydrophobicContact CE2-CG1 3.86Å; A373-I453 HydrophobicContact CB-CG2 3.59Å; I453-V455 PolarHBondContact O-N 3.37Å
454	A	98.3	Very high	96.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.209	C	C	.	.			trans	-66.5	134	172	0	0	0	0	0	110.2	V348 C355 M360 L370 S371 V372	V348-A454 HydrophobicContact CB-CB 3.94Å; V348-A454 HydrophobicContact CG2-CB 3.63Å; V348-A454 PolarHBondContact N-O 3.03Å; C355-A454 VanDerWaalsContact SG-CB 3.54Å; M360-A454 HydrophobicContact CE-CB 4.28Å; M360-A454 HydrophobicContact CG-CB 3.8Å; M360-A454 HydrophobicContact SD-CB 4.16Å; L370-A454 HydrophobicContact CD1-CB 4.48Å; S371-A454 CarbonylContact O-C 3.48Å; S371-A454 WeakPolarHBondContact O-CA 3.44Å; V372-A454 HydrophobicContact CG1-CB 3.83Å
455	V	98.7	Very high	96.6	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.012	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	136.5	179.6	175.9	0	0	0	0	108.3	M266 P303 Y347 S371 I453	M266-V455 HydrophobicContact CE-CG1 4.5Å; P303-V455 HydrophobicContact CB-CB 4.48Å; P303-V455 HydrophobicContact CB-CG2 4.49Å; Y347-V455 HydrophobicContact CD1-CG2 3.51Å; Y347-V455 HydrophobicContact CE1-CG2 3.38Å; S371-V455 PolarHBondContact N-O 3.37Å; S371-V455 PolarHBondContact O-N 2.92Å; I453-V455 PolarHBondContact O-N 3.37Å
456	A	98.8	Very high	96.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	147.1	169.3	0	0	0	0	0	110.1	Y345 H346 E363 L370	Y345-A456 VanDerWaalsContact CA-O 3.26Å; Y345-A456 WeakPolarHBondContact CA-O 3.28Å; H346-A456 PolarHBondContact N-O 3.45Å; H346-A456 PolarHBondContact O-N 2.86Å; E363-A456 HydrophobicContact CG-CB 3.94Å; E363-A456 VanDerWaalsContact OE1-CB 3.24Å; E363-A456 WeakPolarHBondContact OE1-CB 3.35Å; L370-A456 HydrophobicContact CD2-CB 4.28Å
457	A	98.8	Very high	96.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	150.3	167.5	0	0	0	0	0	109.8	M266 L267 R270 A307 E344	M266-A457 HydrophobicContact CE-CB 3.74Å; L267-A457 HydrophobicContact CD2-CB 3.96Å; R270-A457 WeakPolarHBondContact CD-O 3.32Å; R270-A457 PolarHBondContact NH1-O 3.48Å; A307-A457 HydrophobicContact CB-CB 4.24Å; A307-A457 VanDerWaalsContact O-CB 3.26Å; A307-A457 WeakPolarHBondContact O-CB 3.46Å; E344-A457 CarbonylContact O-C 3.55Å; E344-A457 VanDerWaalsContact O-CA 3.27Å; E344-A457 WeakPolarHBondContact O-CA 3.4Å
458	T	98.9	Very high	96.7	Very high	43 Å²	43	35.2 Å²	35.2	26%	0.264	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	107.4	-177.7	-59.6	0	0	0	0	109.7	S342 S343 E344	S342-T458 CarbonylContact C-O 3.14Å; S342-T458 VanDerWaalsContact CA-O 3.24Å; S342-T458 WeakPolarHBondContact CA-O 3.41Å; S343-T458 PolarHBondContact N-O 3.47Å; S343-T458 PolarHBondContact OG-O 3.06Å; E344-T458 PolarHBondContact O-N 2.94Å
459	P	98.8	Very high	96.8	Very high	5 Å²	5	36.8 Å²	36.8	3%	0.032	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	154.3	177.1	29.2	-32.5	0	0	0	111.6	L267 R270 I271 L274 Y341 P461	L267-P459 HydrophobicContact CB-CB 4.31Å; L267-P459 HydrophobicContact CD2-CB 3.99Å; L267-P459 HydrophobicContact CD2-CG 4.21Å; R270-P459 HydrophobicContact CB-CG 3.63Å; I271-P459 HydrophobicContact CD1-CB 4.11Å; I271-P459 HydrophobicContact CG1-CB 3.65Å; I271-P459 HydrophobicContact CG1-CG 3.68Å; L274-P459 HydrophobicContact CD1-CG 4.12Å; L274-P459 WeakPolarHBondContact CD1-O 3.28Å; Y341-P459 CarbonylContact O-C 3.58Å; Y341-P459 WeakPolarHBondContact O-CA 3.36Å; P459-P461 WeakPolarHBondContact O-CD 3.3Å
460	I	98.8	Very high	96.9	Very high	85 Å²	85	37.9 Å²	37.9	44%	0.436	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	108.4	170.5	-56.1	175.5	0	0	0	107.7	Y341	Y341-I460 PolarHBondContact O-N 3.08Å
461	P	97.8	Very high	96.9	Very high	34 Å²	34	40.8 Å²	40.8	22%	0.221	22%	0.216	C	C	.	.			trans	-65	166.9	174.9	-19.7	33.1	0	0	0	112.5	I271 L274 T275 P459	I271-P461 HydrophobicContact CG2-CB 4.4Å; L274-P461 HydrophobicContact CB-CG 4.03Å; L274-P461 HydrophobicContact CD1-CG 4.06Å; T275-P461 HydrophobicContact CG2-CB 3.45Å; T275-P461 VanDerWaalsContact CG2-CB 3.45Å; T275-P461 HydrophobicContact CG2-CG 3.62Å; P459-P461 WeakPolarHBondContact O-CD 3.3Å
462	K	96.5	Very high	96.9	Very high	74 Å²	74	43.2 Å²	43.2	32%	0.322	23%	0.229	S	C	.	.			trans	-64.2	155	168.4	-70.8	171.5	179.2	165.2	0	110.1	Q279 E318 F338 Y340	Q279-K462 PolarHBondContact NE2-O 2.85Å; E318-K462 IonicContact OE1-NZ 2.69Å; E318-K462 PolarHBondContact OE1-NZ 3.2Å; F338-K462 HydrophobicContact CD1-CD 4.29Å; F338-K462 HydrophobicContact CD1-CG 4.15Å; F338-K462 HydrophobicContact CE1-CD 4.18Å; F338-K462 HydrophobicContact CE1-CG 3.54Å; F338-K462 HydrophobicContact CE2-CG 4Å; F338-K462 VanDerWaalsContact CG-CE 3.48Å; F338-K462 HydrophobicContact CZ-CD 4.37Å; F338-K462 HydrophobicContact CZ-CG 3.46Å; F338-K462 VanDerWaalsContact CZ-CG 3.46Å; Y340-K462 HydrophobicContact CE1-CD 4.43Å; Y340-K462 HydrophobicContact CE1-CG 4.04Å; Y340-K462 WeakPolarHBondContact OH-CE 3.34Å; Y340-K462 PolarHBondContact OH-NZ 2.8Å
463	L	89.4	Confident	97.2	Very high	242 Å²	242	46.1 Å²	46.1	100%	1.267	24%	0.242	S	C	*	.			trans	-61.6	0	173.3	-70.3	173.7	0	0	0	112.4

Retrieved 463 of 463 residues in 529.9 ms (Link to these results)

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