A0A096NF23_PAPAN Loading...

Carboxypeptidase A5

AlphaFold DB , UniProt , Accession A0A096NF23, Species PAPAN (Papio anubis, Olive baboon), Gene CPA5, Length 436 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	40.2	Very low	40	Very low	243 Å²	243	140.6 Å²	140.6	100%	1.197	88%	0.875	S	S	*	*				0	138.7	0	-81.2	179.4	-177.3	0	0	108.2
2	Q	38.8	Very low	40.4	Very low	202 Å²	202	133.9 Å²	133.9	94%	0.944	85%	0.853	S	S	*	*			trans	72.5	90.7	174.7	-64.7	179.1	-2.3	0	0	116.5
3	G	33.9	Very low	40.3	Very low	76 Å²	76	133.9 Å²	133.9	78%	0.784	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-78.3	139.7	158.3	0	0	0	0	0	110.7
4	T	42.6	Very low	41.2	Very low	143 Å²	143	131 Å²	131	88%	0.877	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-71.6	133.2	172.4	27	0	0	0	0	111.4
5	P	44.1	Very low	41.4	Very low	126 Å²	126	130.7 Å²	130.7	82%	0.818	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-95.9	145.2	163.8	18.9	-3	0	0	0	112.4
6	A	38.7	Very low	41.8	Very low	99 Å²	99	130.6 Å²	130.6	82%	0.818	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-52.6	153	-178.6	0	0	0	0	0	116
7	G	44.9	Very low	42.3	Very low	85 Å²	85	128.2 Å²	128.2	88%	0.876	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-65.3	127.4	168.8	0	0	0	0	0	112.3
8	G	34.7	Very low	42.6	Very low	73 Å²	73	132.9 Å²	132.9	75%	0.753	81%	0.806	S	S	*	*			trans	-104	115.4	166.7	0	0	0	0	0	110.1	R10	G8-R10 PolarHBondContact O-N 2.87Å
9	T	41.4	Very low	42.7	Very low	138 Å²	138	133.2 Å²	133.2	85%	0.847	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-64.1	123.9	166.6	41.4	0	0	0	0	109.9
10	R	40.8	Very low	42.8	Very low	236 Å²	236	129.9 Å²	129.9	89%	0.891	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-62.8	132.7	166.8	-73.1	-178	-178.4	-175.9	0.2	108.9	G8 G12	G8-R10 PolarHBondContact O-N 2.87Å; R10-G12 PolarHBondContact O-N 2.96Å
11	P	39.7	Very low	42.9	Very low	126 Å²	126	128 Å²	128	82%	0.818	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-70.4	127.8	167.1	28.4	-28.3	0	0	0	108.4
12	G	44.9	Very low	43.2	Very low	60 Å²	60	121.5 Å²	121.5	62%	0.619	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-62.8	162	168	0	0	0	0	0	110.9	R10 S14	R10-G12 PolarHBondContact O-N 2.96Å; G12-S14 PolarHBondContact O-N 2.69Å
13	P	39.1	Very low	43.6	Very low	134 Å²	134	115.7 Å²	115.7	87%	0.87	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-57.4	133.2	177.9	24.5	-31.3	0	0	0	109.6
14	S	53.1	Low	44	Very low	93 Å²	93	118.4 Å²	118.4	65%	0.65	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-55.6	147.8	175	60	0	0	0	0	110	G12 M16	G12-S14 PolarHBondContact O-N 2.69Å; S14-M16 VanDerWaalsContact C-N 3.35Å; S14-M16 PolarHBondContact O-N 2.84Å
15	P	43.5	Very low	44.1	Very low	126 Å²	126	115 Å²	115	82%	0.818	68%	0.684	S	S	*	*			trans	-62.4	101.1	172.8	27.1	-30.9	0	0	0	107.5	D17	P15-D17 PolarHBondContact O-N 2.9Å
16	M	48	Very low	43.7	Very low	130 Å²	130	114.5 Å²	114.5	64%	0.64	67%	0.674	S	S	*	*			trans	-57.5	113.1	165.4	-84.7	-175.8	66.9	0	0	106	S14 R18 L21	S14-M16 VanDerWaalsContact C-N 3.35Å; S14-M16 PolarHBondContact O-N 2.84Å; M16-R18 PolarHBondContact O-N 3.35Å; M16-L21 HydrophobicContact CB-CD1 4.16Å; M16-L21 HydrophobicContact CE-CD1 4.15Å; M16-L21 HydrophobicContact CE-CG 4.3Å
17	D	51.4	Low	43.7	Very low	90 Å²	90	114.4 Å²	114.4	48%	0.481	66%	0.658	S	S	.	*			trans	-52.9	123	-175.8	-161.5	-13.5	0	0	0	108.9	P15 Q19 T20 L21	P15-D17 PolarHBondContact O-N 2.9Å; D17-Q19 PolarHBondContact O-N 2.83Å; D17-Q19 PolarHBondContact OD1-N 3.27Å; D17-T20 PolarHBondContact O-N 3.38Å; D17-L21 PolarHBondContact O-N 3.11Å
18	R	46.8	Very low	43.2	Very low	212 Å²	212	115.5 Å²	115.5	80%	0.8	64%	0.644	S	S	*	*	H	α-helix	trans	-56.2	-23.9	-179.6	-81.4	-179.4	172	-171.8	-2.3	110.8	M16 L22	M16-R18 PolarHBondContact O-N 3.35Å; R18-L22 WeakPolarHBondContact O-CB 3.45Å; R18-L22 WeakPolarHBondContact O-CD1 3.47Å; R18-L22 PolarHBondContact O-N 2.95Å
19	Q	44.2	Very low	43.2	Very low	138 Å²	138	115.3 Å²	115.3	65%	0.645	64%	0.635	S	S	*	*	H	α-helix	trans	-67.1	-39.6	172.4	-73.5	-177.2	-14.4	0	0	113.1	D17 L22 V23	D17-Q19 PolarHBondContact O-N 2.83Å; D17-Q19 PolarHBondContact OD1-N 3.27Å; Q19-L22 PolarHBondContact O-N 2.76Å; Q19-V23 WeakPolarHBondContact O-CB 3.28Å; Q19-V23 VanDerWaalsContact O-CG2 3.24Å; Q19-V23 WeakPolarHBondContact O-CG2 3.49Å; Q19-V23 PolarHBondContact O-N 3.08Å
20	T	45.4	Very low	43.1	Very low	68 Å²	68	113.4 Å²	113.4	42%	0.417	63%	0.627	S	S	.	*	H	α-helix	trans	-69.1	-38	178.3	-43	0	0	0	0	111.4	D17 F24	D17-T20 PolarHBondContact O-N 3.38Å; T20-F24 HydrophobicContact CG2-CD2 4.12Å; T20-F24 HydrophobicContact CG2-CE2 4.25Å; T20-F24 WeakPolarHBondContact O-CB 3.45Å; T20-F24 WeakPolarHBondContact O-CD2 3.42Å; T20-F24 PolarHBondContact O-N 3.23Å
21	L	45.5	Very low	43.2	Very low	91 Å²	91	105.3 Å²	105.3	48%	0.476	61%	0.61	S	S	.	*	H	α-helix	trans	-68.1	-37.3	173.7	-96.4	145.2	0	0	0	112.7	M16 D17 S25	M16-L21 HydrophobicContact CB-CD1 4.16Å; M16-L21 HydrophobicContact CE-CD1 4.15Å; M16-L21 HydrophobicContact CE-CG 4.3Å; D17-L21 PolarHBondContact O-N 3.11Å; L21-S25 VanDerWaalsContact O-CB 3.31Å; L21-S25 WeakPolarHBondContact O-CB 3.47Å; L21-S25 PolarHBondContact O-N 3.24Å; L21-S25 PolarHBondContact O-OG 3.19Å
22	L	45.8	Very low	43.7	Very low	106 Å²	106	105.8 Å²	105.8	56%	0.555	61%	0.605	S	S	*	*	H	α-helix	trans	-68.3	-40.3	174.2	-88.6	157	0	0	0	112.2	R18 Q19 S25 L26	R18-L22 WeakPolarHBondContact O-CB 3.45Å; R18-L22 WeakPolarHBondContact O-CD1 3.47Å; R18-L22 PolarHBondContact O-N 2.95Å; Q19-L22 PolarHBondContact O-N 2.76Å; L22-S25 PolarHBondContact O-N 3.48Å; L22-L26 WeakPolarHBondContact O-CB 3.46Å; L22-L26 WeakPolarHBondContact O-CD1 3.19Å; L22-L26 PolarHBondContact O-N 3.45Å
23	V	47.5	Very low	44.5	Very low	80 Å²	80	105 Å²	105	49%	0.485	60%	0.598	S	S	.	*	H	α-helix	trans	-68.2	-40	176.6	172.6	0	0	0	0	111.1	Q19 S25 L26 I27	Q19-V23 WeakPolarHBondContact O-CB 3.28Å; Q19-V23 VanDerWaalsContact O-CG2 3.24Å; Q19-V23 WeakPolarHBondContact O-CG2 3.49Å; Q19-V23 PolarHBondContact O-N 3.08Å; V23-S25 VanDerWaalsContact C-N 3.35Å; V23-S25 PolarHBondContact O-N 3.07Å; V23-L26 PolarHBondContact O-N 3.06Å; V23-I27 HydrophobicContact CG1-CD1 3.63Å; V23-I27 HydrophobicContact CG1-CG1 4.35Å; V23-I27 WeakPolarHBondContact O-CB 3.28Å; V23-I27 WeakPolarHBondContact O-CD1 3.46Å; V23-I27 WeakPolarHBondContact O-CG1 3.34Å; V23-I27 PolarHBondContact O-N 2.84Å
24	F	42.3	Very low	46.6	Very low	133 Å²	133	102.7 Å²	102.7	58%	0.583	58%	0.576	S	S	*	*	H	α-helix	trans	-66.9	-33.9	172.1	-93.6	-81.7	0	0	0	113	T20 L28	T20-F24 HydrophobicContact CG2-CD2 4.12Å; T20-F24 HydrophobicContact CG2-CE2 4.25Å; T20-F24 WeakPolarHBondContact O-CB 3.45Å; T20-F24 WeakPolarHBondContact O-CD2 3.42Å; T20-F24 PolarHBondContact O-N 3.23Å; F24-L28 WeakPolarHBondContact O-CB 3.3Å; F24-L28 PolarHBondContact O-N 3.44Å
25	S	44.1	Very low	48.5	Very low	71 Å²	71	102.6 Å²	102.6	50%	0.497	57%	0.566	S	S	.	*	H	α-helix	trans	-72.1	-36.1	176.1	-55.3	0	0	0	0	112.4	L21 L22 V23 A29	L21-S25 VanDerWaalsContact O-CB 3.31Å; L21-S25 WeakPolarHBondContact O-CB 3.47Å; L21-S25 PolarHBondContact O-N 3.24Å; L21-S25 PolarHBondContact O-OG 3.19Å; L22-S25 PolarHBondContact O-N 3.48Å; V23-S25 VanDerWaalsContact C-N 3.35Å; V23-S25 PolarHBondContact O-N 3.07Å; S25-A29 VanDerWaalsContact O-CB 3.24Å; S25-A29 WeakPolarHBondContact O-CB 3.47Å; S25-A29 PolarHBondContact O-N 3.48Å
26	L	36.9	Very low	50.9	Low	116 Å²	116	101.8 Å²	101.8	61%	0.607	55%	0.554	S	S	*	*	H	α-helix	trans	-72.2	-36.8	173.7	-87.6	149.3	0	0	0	111.9	L22 V23 A29 S30	L22-L26 WeakPolarHBondContact O-CB 3.46Å; L22-L26 WeakPolarHBondContact O-CD1 3.19Å; L22-L26 PolarHBondContact O-N 3.45Å; V23-L26 PolarHBondContact O-N 3.06Å; L26-A29 PolarHBondContact O-N 2.91Å; L26-S30 PolarHBondContact O-N 3.32Å; L26-S30 PolarHBondContact O-OG 3.22Å
27	I	38.5	Very low	53.2	Low	96 Å²	96	95.7 Å²	95.7	49%	0.492	52%	0.524	S	S	.	.	H	α-helix	trans	-69.7	-38.7	174.6	-68.2	169.2	0	0	0	111	V23 S30 A31	V23-I27 HydrophobicContact CG1-CD1 3.63Å; V23-I27 HydrophobicContact CG1-CG1 4.35Å; V23-I27 WeakPolarHBondContact O-CB 3.28Å; V23-I27 WeakPolarHBondContact O-CD1 3.46Å; V23-I27 WeakPolarHBondContact O-CG1 3.34Å; V23-I27 PolarHBondContact O-N 2.84Å; I27-S30 WeakPolarHBondContact CA-OG 3.29Å; I27-S30 PolarHBondContact O-OG 2.88Å; I27-A31 WeakPolarHBondContact O-CB 3.43Å; I27-A31 PolarHBondContact O-N 3.48Å
28	L	34	Very low	55.4	Low	109 Å²	109	95 Å²	95	57%	0.571	52%	0.524	S	S	*	.	H	α-helix	trans	-66.2	-37.9	171	-110.6	82.3	0	0	0	112.3	F24 A31 L32	F24-L28 WeakPolarHBondContact O-CB 3.3Å; F24-L28 PolarHBondContact O-N 3.44Å; L28-A31 PolarHBondContact O-N 3.39Å; L28-L32 WeakPolarHBondContact O-CD1 2.9Å
29	A	34.9	Very low	57.8	Low	69 Å²	69	85.6 Å²	85.6	57%	0.57	49%	0.492	S	S	*	.	H	α-helix	trans	-70.6	-32.5	178.6	0	0	0	0	0	112.7	S25 L26 A31	S25-A29 VanDerWaalsContact O-CB 3.24Å; S25-A29 WeakPolarHBondContact O-CB 3.47Å; S25-A29 PolarHBondContact O-N 3.48Å; L26-A29 PolarHBondContact O-N 2.91Å; A29-A31 VanDerWaalsContact C-N 3.32Å
30	S	38.2	Very low	60.4	Low	97 Å²	97	79.6 Å²	79.6	68%	0.678	47%	0.465	S	S	*	.	H	α-helix	trans	-77.2	-14	174.2	53.2	0	0	0	0	114.3	L26 I27	L26-S30 PolarHBondContact O-N 3.32Å; L26-S30 PolarHBondContact O-OG 3.22Å; I27-S30 WeakPolarHBondContact CA-OG 3.29Å; I27-S30 PolarHBondContact O-OG 2.88Å
31	A	43	Very low	63	Low	66 Å²	66	77.6 Å²	77.6	55%	0.545	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-0.6	-178.7	0	0	0	0	0	114.3	I27 L28 A29	I27-A31 WeakPolarHBondContact O-CB 3.43Å; I27-A31 PolarHBondContact O-N 3.48Å; L28-A31 PolarHBondContact O-N 3.39Å; A29-A31 VanDerWaalsContact C-N 3.32Å
32	L	49.8	Very low	65.5	Low	136 Å²	136	73.2 Å²	73.2	71%	0.712	43%	0.428	S	S	*	.	S	Bend	trans	-126.4	4.9	-171.6	-74.8	165.8	0	0	0	114.8	L28	L28-L32 WeakPolarHBondContact O-CD1 2.9Å
33	G	62.2	Low	68	Low	45 Å²	45	68.2 Å²	68.2	46%	0.464	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-83.5	123.8	177.2	0	0	0	0	0	111.9	M249	G33-M249 VanDerWaalsContact O-SD 3.39Å
34	Q	84.4	Confident	70.4	Confident	85 Å²	85	67 Å²	67	40%	0.397	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-54.2	143.5	162.4	-77.9	176.8	-6.2	0	0	109.6	N36 H247 S248	Q34-N36 PolarHBondContact O-N 3.11Å; Q34-H247 PolarHBondContact NE2-O 3.27Å; Q34-S248 VanDerWaalsContact CG-O 3.29Å; Q34-S248 WeakPolarHBondContact CG-O 3.38Å
35	M	92.3	Very high	73	Confident	90 Å²	90	60.7 Å²	60.7	44%	0.443	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-55.1	132.3	175.4	-70.5	-168.5	78.7	0	0	110.1	F37 M249 N250	M35-F37 HydrophobicContact CB-CE2 3.85Å; M35-F37 HydrophobicContact CB-CZ 3.88Å; M35-F37 WeakPolarHBondContact O-CD2 3.36Å; M35-F37 WeakPolarHBondContact O-CE2 3.26Å; M35-M249 PolarHBondContact N-O 2.98Å; M35-N250 HydrophobicContact CG-CB 4.19Å; M35-N250 HydrophobicContact SD-CB 3.64Å; M35-N250 PolarHBondContact SD-ND2 3.21Å; M35-N250 VanDerWaalsContact SD-ND2 3.4Å
36	N	93.4	Very high	75.4	Confident	109 Å²	109	61.9 Å²	61.9	58%	0.583	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-94.3	134	177.9	-174	1.8	0	0	0	109.6	Q34 T38 Q111	Q34-N36 PolarHBondContact O-N 3.11Å; N36-T38 PolarHBondContact ND2-OG1 2.78Å; N36-T38 WeakPolarHBondContact OD1-CB 3.49Å; N36-T38 PolarHBondContact OD1-N 2.69Å; N36-T38 PolarHBondContact OD1-OG1 3.11Å; N36-Q111 PolarHBondContact OD1-OE1 3.37Å
37	F	96.9	Very high	78.1	Confident	2 Å²	2	56.5 Å²	56.5	1%	0.009	33%	0.333	C	S	.	.			trans	-116.4	20.7	178.3	-58.9	-86	0	0	0	112.1	M35 G39 D40 I110 L114 N250 L252	M35-F37 HydrophobicContact CB-CE2 3.85Å; M35-F37 HydrophobicContact CB-CZ 3.88Å; M35-F37 WeakPolarHBondContact O-CD2 3.36Å; M35-F37 WeakPolarHBondContact O-CE2 3.26Å; F37-G39 PolarHBondContact O-N 2.93Å; F37-G39 VanDerWaalsContact O-N 3.14Å; F37-D40 HydrophobicContact CB-CB 4.24Å; F37-D40 VanDerWaalsContact O-CB 3.31Å; F37-D40 WeakPolarHBondContact O-CB 3.25Å; F37-D40 PolarHBondContact O-N 3.01Å; F37-I110 HydrophobicContact CB-CB 3.99Å; F37-I110 HydrophobicContact CB-CG2 3.66Å; F37-I110 HydrophobicContact CG-CG2 4.06Å; F37-L114 HydrophobicContact CB-CD1 4.23Å; F37-L114 HydrophobicContact CD2-CD1 3.35Å; F37-L114 HydrophobicContact CE2-CD1 4.04Å; F37-L114 HydrophobicContact CG-CD1 4.08Å; F37-N250 WeakPolarHBondContact CZ-OD1 3.28Å; F37-L252 HydrophobicContact CD1-CD1 3.96Å; F37-L252 HydrophobicContact CE1-CD1 3.66Å; F37-L252 HydrophobicContact CE1-CG 4.17Å; F37-L252 HydrophobicContact CZ-CB 4.41Å; F37-L252 HydrophobicContact CZ-CD1 4.11Å; F37-L252 HydrophobicContact CZ-CG 4.11Å
38	T	98	Very high	80.7	Confident	77 Å²	77	59.3 Å²	59.3	47%	0.472	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	120.5	-178.9	-63	0	0	0	0	110.1	N36 D40	N36-T38 PolarHBondContact ND2-OG1 2.78Å; N36-T38 WeakPolarHBondContact OD1-CB 3.49Å; N36-T38 PolarHBondContact OD1-N 2.69Å; N36-T38 PolarHBondContact OD1-OG1 3.11Å; T38-D40 PolarHBondContact O-N 3.29Å
39	G	97.4	Very high	83.5	Confident	13 Å²	13	57.6 Å²	57.6	13%	0.134	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	-4	179.2	0	0	0	0	0	114.6	F37 L89 D109	F37-G39 PolarHBondContact O-N 2.93Å; F37-G39 VanDerWaalsContact O-N 3.14Å; G39-L89 VanDerWaalsContact O-CD1 3.27Å; G39-L89 WeakPolarHBondContact O-CD1 3.44Å; G39-D109 PolarHBondContact N-OD1 3.02Å; G39-D109 PolarHBondContact N-OD2 3.36Å
40	D	98.4	Very high	86.3	Confident	12 Å²	12	58.9 Å²	58.9	6%	0.064	33%	0.327	C	S	.	.			trans	-61.3	138.2	170.3	-78.4	19.7	0	0	0	109.6	F37 T38 R83 P85 F86 D109 I110	F37-D40 HydrophobicContact CB-CB 4.24Å; F37-D40 VanDerWaalsContact O-CB 3.31Å; F37-D40 WeakPolarHBondContact O-CB 3.25Å; F37-D40 PolarHBondContact O-N 3.01Å; T38-D40 PolarHBondContact O-N 3.29Å; D40-R83 HydrophobicContact CB-CG 4.43Å; D40-R83 IonicContact OD2-CZ 3.88Å; D40-R83 IonicContact OD2-NH1 3.62Å; D40-R83 PolarHBondContact OD2-NH1 3.33Å; D40-P85 VanDerWaalsContact OD1-CA 3.26Å; D40-P85 WeakPolarHBondContact OD1-CA 3.49Å; D40-F86 PolarHBondContact OD1-N 3.48Å; D40-D109 WeakPolarHBondContact O-CA 3.49Å; D40-I110 HydrophobicContact CB-CB 4.28Å; D40-I110 HydrophobicContact CB-CD1 3.96Å; D40-I110 HydrophobicContact CB-CG1 4.32Å; D40-I110 PolarHBondContact O-N 3.49Å
41	Q	98.6	Very high	88.9	Confident	26 Å²	26	62.3 Å²	62.3	12%	0.121	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	151.6	177.5	-54.3	-163.5	-41.8	0	0	110.6	L43 R83 V84 L89 I105 I107 K108	Q41-L43 HydrophobicContact CB-CD2 4.17Å; Q41-R83 CarbonylContact O-C 3.55Å; Q41-R83 WeakPolarHBondContact O-CA 3.29Å; Q41-V84 PolarHBondContact N-O 3.48Å; Q41-V84 VanDerWaalsContact N-O 3.16Å; Q41-V84 PolarHBondContact O-N 2.96Å; Q41-L89 HydrophobicContact CB-CD2 3.73Å; Q41-L89 HydrophobicContact CG-CD1 3.77Å; Q41-L89 HydrophobicContact CG-CD2 3.76Å; Q41-L89 HydrophobicContact CG-CG 4.44Å; Q41-I105 HydrophobicContact CB-CG2 4.44Å; Q41-I107 VanDerWaalsContact CA-O 3.29Å; Q41-I107 WeakPolarHBondContact CA-O 3.34Å; Q41-I107 WeakPolarHBondContact CB-O 3.39Å; Q41-K108 WeakPolarHBondContact CG-O 3.41Å; Q41-K108 PolarHBondContact NE2-O 2.81Å; Q41-K108 VanDerWaalsContact NE2-O 3.07Å
42	V	98.6	Very high	91.4	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	121.6	161.9	-169.6	0	0	0	0	108.6	W70 D81 M82 R83 M106 I107 I110	V42-W70 HydrophobicContact CG1-CD2 4.29Å; V42-W70 HydrophobicContact CG1-CE3 4.15Å; V42-W70 HydrophobicContact CG2-CD2 4.22Å; V42-W70 HydrophobicContact CG2-CE3 4.14Å; V42-W70 HydrophobicContact CG2-CH2 3.76Å; V42-W70 HydrophobicContact CG2-CZ2 3.84Å; V42-W70 HydrophobicContact CG2-CZ3 3.91Å; V42-D81 HydrophobicContact CG1-CB 4.41Å; V42-M82 WeakPolarHBondContact CA-O 3.24Å; V42-R83 HydrophobicContact CG2-CB 4.33Å; V42-M106 HydrophobicContact CB-CB 4.49Å; V42-M106 HydrophobicContact CB-CE 3.86Å; V42-M106 HydrophobicContact CG1-CE 3.22Å; V42-M106 HydrophobicContact CG1-SD 4.48Å; V42-M106 WeakPolarHBondContact O-CB 3.4Å; V42-M106 PolarHBondContact O-N 2.75Å; V42-I107 HydrophobicContact CB-CB 3.98Å; V42-I107 HydrophobicContact CB-CD1 4.27Å; V42-I107 HydrophobicContact CB-CG1 4.23Å; V42-I107 HydrophobicContact CG2-CB 4.01Å; V42-I107 HydrophobicContact CG2-CD1 3.89Å; V42-I107 HydrophobicContact CG2-CG1 4.29Å; V42-I107 PolarHBondContact N-O 3.12Å; V42-I107 PolarHBondContact O-N 3.14Å; V42-I110 HydrophobicContact CG2-CD1 3.66Å; V42-I110 HydrophobicContact CG2-CG1 4.03Å
43	L	98.4	Very high	93.4	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	133.8	177.1	-53.8	-174.6	0	0	0	109.2	Q41 D81 M82 V84 I92 K93 L96 Y103 S104 I105	Q41-L43 HydrophobicContact CB-CD2 4.17Å; L43-D81 WeakPolarHBondContact O-CA 3.49Å; L43-M82 HydrophobicContact CB-CG 4.38Å; L43-M82 PolarHBondContact N-O 3.13Å; L43-M82 PolarHBondContact O-N 3.44Å; L43-V84 HydrophobicContact CD1-CG2 3.85Å; L43-V84 HydrophobicContact CG-CG2 4.03Å; L43-I92 HydrophobicContact CD1-CG2 4.31Å; L43-K93 HydrophobicContact CD1-CG 4.32Å; L43-L96 HydrophobicContact CD1-CD1 3.98Å; L43-Y103 HydrophobicContact CD1-CD2 4.23Å; L43-Y103 HydrophobicContact CD1-CE2 4.5Å; L43-Y103 HydrophobicContact CD2-CD2 4.2Å; L43-Y103 HydrophobicContact CD2-CE2 4.43Å; L43-S104 WeakPolarHBondContact CA-O 3.4Å; L43-I105 HydrophobicContact CD2-CB 4.45Å; L43-I105 HydrophobicContact CD2-CG1 3.9Å
44	R	98.1	Very high	94.8	Very high	55 Å²	55	54 Å²	54	21%	0.208	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	117.7	167.7	171	161.6	-70	174.3	-0	109.2	P79 V80 D81 Y103 S104 M106 T401	R44-P79 HydrophobicContact CG-CB 3.87Å; R44-V80 CarbonylContact C-O 2.98Å; R44-V80 WeakPolarHBondContact CA-O 3.46Å; R44-D81 IonicContact CZ-OD1 3.82Å; R44-D81 IonicContact CZ-OD2 2.72Å; R44-D81 IonicContact NE-OD1 3.45Å; R44-D81 PolarHBondContact NE-OD1 3.11Å; R44-D81 IonicContact NE-OD2 3.74Å; R44-D81 VanDerWaalsContact NH2-CG 3.34Å; R44-D81 IonicContact NH2-OD1 2.73Å; R44-D81 PolarHBondContact NH2-OD1 3.28Å; R44-D81 VanDerWaalsContact NH2-OD1 3.14Å; R44-D81 IonicContact NH2-OD2 2.97Å; R44-D81 PolarHBondContact NH2-OD2 3.41Å; R44-Y103 CarbonylContact O-C 3.57Å; R44-Y103 WeakPolarHBondContact O-CA 3.12Å; R44-S104 PolarHBondContact N-O 3.49Å; R44-S104 PolarHBondContact O-N 3.25Å; R44-M106 HydrophobicContact CB-CB 4.4Å; R44-M106 HydrophobicContact CB-SD 4.44Å; R44-T401 VanDerWaalsContact CZ-O 3.31Å; R44-T401 PolarHBondContact NH1-O 2.86Å; R44-T401 PolarHBondContact NH2-O 2.93Å
45	V	96.8	Very high	95.3	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	138.1	-178.8	-170.8	0	0	0	0	110.4	L56 V80 M82 L96 L101 A102	V45-L56 HydrophobicContact CB-CD1 4.29Å; V45-L56 HydrophobicContact CG1-CD1 3.94Å; V45-L56 HydrophobicContact CG1-CD2 4.19Å; V45-V80 HydrophobicContact CB-CB 4.44Å; V45-V80 PolarHBondContact N-O 3.3Å; V45-V80 PolarHBondContact O-N 2.67Å; V45-M82 HydrophobicContact CB-CE 4.25Å; V45-M82 HydrophobicContact CG2-CE 3.25Å; V45-L96 HydrophobicContact CG1-CD2 4.34Å; V45-L96 HydrophobicContact CG2-CD1 3.98Å; V45-L96 HydrophobicContact CG2-CD2 4.28Å; V45-L101 HydrophobicContact CG1-CB 4.08Å; V45-L101 HydrophobicContact CG1-CD2 4.05Å; V45-A102 WeakPolarHBondContact CA-O 3.29Å; V45-A102 WeakPolarHBondContact CG1-O 3.29Å
46	L	93.7	Very high	95.3	Very high	96 Å²	96	47.3 Å²	47.3	50%	0.503	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	105.7	175.4	-62	176.4	0	0	0	109	P79 A102	L46-P79 HydrophobicContact CD2-CB 3.89Å; L46-A102 PolarHBondContact N-O 3.13Å
47	A	93.6	Very high	95.1	Very high	3 Å²	3	46.6 Å²	46.6	3%	0.025	23%	0.228	C	C	.	.			trans	-79.9	130.5	173	0	0	0	0	0	109.7	Q52 L53 L56 P76	A47-Q52 HydrophobicContact CB-CB 3.97Å; A47-L53 HydrophobicContact CB-CB 4.17Å; A47-L53 HydrophobicContact CB-CD1 4.05Å; A47-L56 HydrophobicContact CB-CD1 4.26Å; A47-P76 CarbonylContact O-C 3.57Å; A47-P76 WeakPolarHBondContact O-CA 3.39Å; A47-P76 WeakPolarHBondContact O-CB 3.49Å
48	K	93.2	Very high	94.7	Very high	155 Å²	155	50.7 Å²	50.7	67%	0.674	25%	0.25	S	C	*	.	S	Bend	trans	-83.5	-23.4	-177.7	-63.8	175.4	-177.3	173.6	0	113.5
49	D	93.1	Very high	94.3	Very high	74 Å²	74	47.1 Å²	47.1	40%	0.396	23%	0.228	S	C	.	.	S	Bend	trans	-153.3	172.5	-175.2	56.9	45.5	0	0	0	111.1	K51 Q52 L53	D49-K51 PolarHBondContact O-N 2.98Å; D49-K51 WeakPolarHBondContact OD1-CA 3.41Å; D49-K51 VanDerWaalsContact OD1-CB 3.31Å; D49-K51 WeakPolarHBondContact OD1-CB 3.39Å; D49-K51 PolarHBondContact OD1-N 3.38Å; D49-Q52 PolarHBondContact O-N 3.45Å; D49-Q52 PolarHBondContact OD1-N 2.82Å; D49-L53 PolarHBondContact O-N 3.49Å
50	E	93.3	Very high	93.3	Very high	96 Å²	96	49 Å²	49	45%	0.449	23%	0.233	S	C	.	.	H	α-helix	trans	-63.7	-25.8	178.6	-77.5	-61.7	144.9	0	0	113.1	L53 S54 R57 P76	E50-L53 PolarHBondContact O-N 3.06Å; E50-S54 WeakPolarHBondContact O-CB 3.13Å; E50-S54 PolarHBondContact O-N 3.03Å; E50-R57 IonicContact OE2-CZ 3.43Å; E50-R57 IonicContact OE2-NH1 3.38Å; E50-R57 PolarHBondContact OE2-NH1 2.87Å; E50-R57 IonicContact OE2-NH2 3.54Å; E50-P76 VanDerWaalsContact OE1-CD 3.31Å; E50-P76 WeakPolarHBondContact OE1-CD 3.38Å
51	K	93.9	Very high	92.2	Very high	168 Å²	168	51 Å²	51	73%	0.73	26%	0.256	S	S	*	.	H	α-helix	trans	-67.5	-47.3	177.6	-177.5	-176.9	177.7	-176.9	0	110	D49 L53 S54 L55	D49-K51 PolarHBondContact O-N 2.98Å; D49-K51 WeakPolarHBondContact OD1-CA 3.41Å; D49-K51 VanDerWaalsContact OD1-CB 3.31Å; D49-K51 WeakPolarHBondContact OD1-CB 3.39Å; D49-K51 PolarHBondContact OD1-N 3.38Å; K51-L53 VanDerWaalsContact C-N 3.32Å; K51-S54 WeakPolarHBondContact O-CB 3.44Å; K51-S54 PolarHBondContact O-N 2.86Å; K51-L55 PolarHBondContact O-N 3.31Å
52	Q	94.6	Very high	91.4	Very high	22 Å²	22	52.5 Å²	52.5	10%	0.103	27%	0.265	C	S	.	.	H	α-helix	trans	-63.9	-38.1	173.8	-78.3	-160.9	-24.1	0	0	112.3	A47 D49 S54 L55 L56 H99 G100 L101	A47-Q52 HydrophobicContact CB-CB 3.97Å; D49-Q52 PolarHBondContact O-N 3.45Å; D49-Q52 PolarHBondContact OD1-N 2.82Å; Q52-S54 VanDerWaalsContact C-N 3.33Å; Q52-S54 PolarHBondContact O-N 2.65Å; Q52-L55 WeakPolarHBondContact O-CB 3.36Å; Q52-L55 PolarHBondContact O-N 2.94Å; Q52-L56 PolarHBondContact O-N 3.36Å; Q52-H99 PolarHBondContact NE2-O 3.3Å; Q52-G100 VanDerWaalsContact NE2-C 3.35Å; Q52-G100 PolarHBondContact NE2-O 3.26Å; Q52-L101 HydrophobicContact CB-CD2 3.69Å; Q52-L101 HydrophobicContact CG-CD2 4.03Å
53	L	92.1	Very high	90.2	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-65.5	-37.5	177.1	-165.3	66.8	0	0	0	112.3	A47 D49 E50 K51 L55 L56 R57 P73 A74 R75 V80	A47-L53 HydrophobicContact CB-CB 4.17Å; A47-L53 HydrophobicContact CB-CD1 4.05Å; D49-L53 PolarHBondContact O-N 3.49Å; E50-L53 PolarHBondContact O-N 3.06Å; K51-L53 VanDerWaalsContact C-N 3.32Å; L53-L55 VanDerWaalsContact C-N 3.31Å; L53-L55 PolarHBondContact O-N 3.12Å; L53-L56 WeakPolarHBondContact O-CB 3.42Å; L53-L56 PolarHBondContact O-N 3.37Å; L53-R57 WeakPolarHBondContact O-CG 3.28Å; L53-R57 PolarHBondContact O-N 3.43Å; L53-P73 HydrophobicContact CD1-CB 3.46Å; L53-P73 VanDerWaalsContact CD1-CB 3.46Å; L53-P73 HydrophobicContact CG-CB 3.98Å; L53-A74 WeakPolarHBondContact CD2-O 3.46Å; L53-R75 VanDerWaalsContact CD2-CA 3.46Å; L53-V80 HydrophobicContact CD1-CG2 4.31Å
54	S	92.4	Very high	89.3	Confident	51 Å²	51	65.4 Å²	65.4	36%	0.357	33%	0.332	S	S	.	.	H	α-helix	trans	-60.2	-39.8	173.9	-165.6	0	0	0	0	112.2	E50 K51 Q52 L56 R57 D58	E50-S54 WeakPolarHBondContact O-CB 3.13Å; E50-S54 PolarHBondContact O-N 3.03Å; K51-S54 WeakPolarHBondContact O-CB 3.44Å; K51-S54 PolarHBondContact O-N 2.86Å; Q52-S54 VanDerWaalsContact C-N 3.33Å; Q52-S54 PolarHBondContact O-N 2.65Å; S54-L56 VanDerWaalsContact C-N 3.26Å; S54-L56 PolarHBondContact O-N 2.85Å; S54-R57 WeakPolarHBondContact O-CB 3.42Å; S54-R57 PolarHBondContact O-N 2.88Å; S54-R57 VanDerWaalsContact O-N 3.1Å; S54-D58 VanDerWaalsContact O-CG 3.28Å; S54-D58 PolarHBondContact O-N 3.3Å
55	L	93.6	Very high	88.4	Confident	34 Å²	34	66.1 Å²	66.1	18%	0.178	34%	0.338	C	S	.	.	H	α-helix	trans	-61.1	-37	176.1	-63.5	172.5	0	0	0	112.1	K51 Q52 L53 D58 L59 Y95 H99 L101	K51-L55 PolarHBondContact O-N 3.31Å; Q52-L55 WeakPolarHBondContact O-CB 3.36Å; Q52-L55 PolarHBondContact O-N 2.94Å; L53-L55 VanDerWaalsContact C-N 3.31Å; L53-L55 PolarHBondContact O-N 3.12Å; L55-D58 PolarHBondContact O-N 2.92Å; L55-L59 PolarHBondContact O-N 3.17Å; L55-Y95 PolarHBondContact O-OH 2.72Å; L55-H99 HydrophobicContact CD1-CB 3.72Å; L55-L101 HydrophobicContact CB-CD1 4.37Å; L55-L101 HydrophobicContact CD1-CD1 4.48Å
56	L	93.1	Very high	88	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-70.1	-36.1	174.8	-63.5	176.6	0	0	0	112	V45 A47 Q52 L53 S54 D58 L59 F69 P73 V80 M82 L96 L101	V45-L56 HydrophobicContact CB-CD1 4.29Å; V45-L56 HydrophobicContact CG1-CD1 3.94Å; V45-L56 HydrophobicContact CG1-CD2 4.19Å; A47-L56 HydrophobicContact CB-CD1 4.26Å; Q52-L56 PolarHBondContact O-N 3.36Å; L53-L56 WeakPolarHBondContact O-CB 3.42Å; L53-L56 PolarHBondContact O-N 3.37Å; S54-L56 VanDerWaalsContact C-N 3.26Å; S54-L56 PolarHBondContact O-N 2.85Å; L56-D58 VanDerWaalsContact C-N 3.3Å; L56-D58 PolarHBondContact O-N 3.48Å; L56-L59 HydrophobicContact CD2-CD1 4.08Å; L56-L59 WeakPolarHBondContact O-CB 3.45Å; L56-L59 PolarHBondContact O-N 2.97Å; L56-F69 WeakPolarHBondContact O-CZ 3.44Å; L56-P73 HydrophobicContact CB-CB 4.11Å; L56-P73 HydrophobicContact CB-CG 4.49Å; L56-V80 HydrophobicContact CD1-CB 4.06Å; L56-V80 HydrophobicContact CD1-CG1 4.29Å; L56-V80 HydrophobicContact CD1-CG2 3.76Å; L56-M82 HydrophobicContact CD2-CE 3.8Å; L56-L96 HydrophobicContact CD2-CD2 3.94Å; L56-L101 HydrophobicContact CD1-CD2 4.31Å; L56-L101 HydrophobicContact CD2-CD1 4.01Å; L56-L101 HydrophobicContact CD2-CD2 4.48Å; L56-L101 HydrophobicContact CG-CD1 4.4Å; L56-L101 HydrophobicContact CG-CD2 4.28Å
57	R	89.7	Confident	87.9	Confident	95 Å²	95	64.2 Å²	64.2	36%	0.358	33%	0.326	S	S	.	.	H	α-helix	trans	-62.7	-37.9	172.1	-67.1	170.5	-179	143.2	-1.3	111.1	E50 L53 S54 L59 E60 P73 A74	E50-R57 IonicContact OE2-CZ 3.43Å; E50-R57 IonicContact OE2-NH1 3.38Å; E50-R57 PolarHBondContact OE2-NH1 2.87Å; E50-R57 IonicContact OE2-NH2 3.54Å; L53-R57 WeakPolarHBondContact O-CG 3.28Å; L53-R57 PolarHBondContact O-N 3.43Å; S54-R57 WeakPolarHBondContact O-CB 3.42Å; S54-R57 PolarHBondContact O-N 2.88Å; S54-R57 VanDerWaalsContact O-N 3.1Å; R57-L59 VanDerWaalsContact C-N 3.27Å; R57-L59 PolarHBondContact O-N 2.95Å; R57-E60 VanDerWaalsContact O-CB 3.28Å; R57-E60 WeakPolarHBondContact O-CB 3.37Å; R57-E60 PolarHBondContact O-N 3.47Å; R57-E60 VanDerWaalsContact O-N 3.09Å; R57-P73 HydrophobicContact CB-CG 4.35Å; R57-P73 HydrophobicContact CG-CB 3.89Å; R57-P73 HydrophobicContact CG-CG 3.49Å; R57-P73 VanDerWaalsContact CG-CG 3.49Å; R57-A74 PolarHBondContact NH2-O 3.1Å
58	D	89.1	Confident	88	Confident	88 Å²	88	64.5 Å²	64.5	47%	0.471	33%	0.327	S	S	.	.	H	α-helix	trans	-63.5	-32.3	177.7	-64.3	-23.2	0	0	0	112.4	S54 L55 L56 E60 G61 L62	S54-D58 VanDerWaalsContact O-CG 3.28Å; S54-D58 PolarHBondContact O-N 3.3Å; L55-D58 PolarHBondContact O-N 2.92Å; L56-D58 VanDerWaalsContact C-N 3.3Å; L56-D58 PolarHBondContact O-N 3.48Å; D58-E60 VanDerWaalsContact C-N 3.27Å; D58-E60 PolarHBondContact O-N 2.98Å; D58-G61 PolarHBondContact O-N 3.35Å; D58-G61 VanDerWaalsContact O-N 3.11Å; D58-L62 PolarHBondContact O-N 3.47Å
59	L	88	Confident	88	Confident	2 Å²	2	58 Å²	58	1%	0.01	30%	0.299	C	S	.	.	H	α-helix	trans	-63.2	-31.6	174.5	-66.3	177.9	0	0	0	112.8	L55 L56 R57 G61 L62 V67 F69 M82 I92 Y95	L55-L59 PolarHBondContact O-N 3.17Å; L56-L59 HydrophobicContact CD2-CD1 4.08Å; L56-L59 WeakPolarHBondContact O-CB 3.45Å; L56-L59 PolarHBondContact O-N 2.97Å; R57-L59 VanDerWaalsContact C-N 3.27Å; R57-L59 PolarHBondContact O-N 2.95Å; L59-G61 VanDerWaalsContact C-N 3.27Å; L59-G61 PolarHBondContact O-N 2.87Å; L59-L62 HydrophobicContact CD2-CD1 3.79Å; L59-L62 PolarHBondContact O-N 3.33Å; L59-V67 HydrophobicContact CB-CG2 4.15Å; L59-F69 HydrophobicContact CB-CZ 4.27Å; L59-M82 HydrophobicContact CD1-CE 4.43Å; L59-M82 HydrophobicContact CD1-SD 4.36Å; L59-I92 HydrophobicContact CD2-CD1 4.13Å; L59-Y95 HydrophobicContact CD1-CD1 4.19Å; L59-Y95 HydrophobicContact CD1-CE1 4.02Å; L59-Y95 HydrophobicContact CD2-CD1 3.99Å; L59-Y95 HydrophobicContact CD2-CE1 3.79Å; L59-Y95 HydrophobicContact CD2-CG 4.5Å; L59-Y95 HydrophobicContact CG-CD1 4.45Å; L59-Y95 HydrophobicContact CG-CE1 3.99Å
60	E	78.2	Confident	88.2	Confident	52 Å²	52	55.3 Å²	55.3	24%	0.243	28%	0.283	C	S	.	.	H	α-helix	trans	-66.5	-32.4	174.5	-163.3	-179.2	-176.8	0	0	111.6	R57 D58 L62 F69	R57-E60 VanDerWaalsContact O-CB 3.28Å; R57-E60 WeakPolarHBondContact O-CB 3.37Å; R57-E60 PolarHBondContact O-N 3.47Å; R57-E60 VanDerWaalsContact O-N 3.09Å; D58-E60 VanDerWaalsContact C-N 3.27Å; D58-E60 PolarHBondContact O-N 2.98Å; E60-L62 VanDerWaalsContact C-N 3.34Å; E60-L62 PolarHBondContact O-N 3.34Å; E60-F69 HydrophobicContact CB-CD2 4.21Å; E60-F69 HydrophobicContact CB-CE2 3.65Å; E60-F69 HydrophobicContact CG-CD2 4.11Å; E60-F69 HydrophobicContact CG-CE2 4.06Å
61	G	74.6	Confident	88.2	Confident	54 Å²	54	52 Å²	52	56%	0.557	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-11.3	-178.9	0	0	0	0	0	115.1	D58 L59	D58-G61 PolarHBondContact O-N 3.35Å; D58-G61 VanDerWaalsContact O-N 3.11Å; L59-G61 VanDerWaalsContact C-N 3.27Å; L59-G61 PolarHBondContact O-N 2.87Å
62	L	80.5	Confident	88	Confident	58 Å²	58	45 Å²	45	30%	0.304	24%	0.242	S	C	.	.			trans	-66.4	140.1	-177.2	-65.6	-179.8	0	0	0	112	D58 L59 E60 P64 Q65 K66	D58-L62 PolarHBondContact O-N 3.47Å; L59-L62 HydrophobicContact CD2-CD1 3.79Å; L59-L62 PolarHBondContact O-N 3.33Å; E60-L62 VanDerWaalsContact C-N 3.34Å; E60-L62 PolarHBondContact O-N 3.34Å; L62-P64 CarbonylContact C-O 3.33Å; L62-P64 CarbonylContact O-C 3.55Å; L62-Q65 VanDerWaalsContact O-CA 3.28Å; L62-Q65 WeakPolarHBondContact O-CA 3.31Å; L62-Q65 PolarHBondContact O-N 3.1Å; L62-K66 HydrophobicContact CB-CG 4.44Å; L62-K66 HydrophobicContact CD1-CD 3.91Å; L62-K66 HydrophobicContact CD1-CG 4.44Å
63	K	75	Confident	87.7	Confident	158 Å²	158	44.9 Å²	44.9	69%	0.687	24%	0.243	S	C	*	.	S	Bend	trans	-125.2	125	179.4	-64.9	-171.4	-179	-174.2	0	110.8	N286	K63-N286 WeakPolarHBondContact CE-ND2 3.36Å
64	P	78.3	Confident	87.5	Confident	112 Å²	112	45.8 Å²	45.8	73%	0.727	25%	0.25	S	S	*	.	S	Bend	cis	-60.7	155.4	-8.4	29.4	-35.7	0	0	0	111.7	L62 K66	L62-P64 CarbonylContact C-O 3.33Å; L62-P64 CarbonylContact O-C 3.55Å; P64-K66 WeakPolarHBondContact O-CG 3.07Å; P64-K66 PolarHBondContact O-N 3.37Å
65	Q	80.8	Confident	87.1	Confident	71 Å²	71	46.9 Å²	46.9	33%	0.332	25%	0.247	S	C	.	.			trans	-60.7	126.1	179.8	-174.3	174.4	14.5	0	0	109.7	L62 V67	L62-Q65 VanDerWaalsContact O-CA 3.28Å; L62-Q65 WeakPolarHBondContact O-CA 3.31Å; L62-Q65 PolarHBondContact O-N 3.1Å; Q65-V67 WeakPolarHBondContact CG-O 3.41Å; Q65-V67 PolarHBondContact NE2-O 3.27Å
66	K	87.7	Confident	86.7	Confident	52 Å²	52	47.3 Å²	47.3	23%	0.226	25%	0.251	C	S	.	.			trans	-97.1	-17.6	-174.3	-66	-168.3	167.1	-131.3	0	114	L62 P64 P85 E88 Y91 I92	L62-K66 HydrophobicContact CB-CG 4.44Å; L62-K66 HydrophobicContact CD1-CD 3.91Å; L62-K66 HydrophobicContact CD1-CG 4.44Å; P64-K66 WeakPolarHBondContact O-CG 3.07Å; P64-K66 PolarHBondContact O-N 3.37Å; K66-P85 WeakPolarHBondContact O-CD 3.44Å; K66-E88 HydrophobicContact CB-CG 4.39Å; K66-E88 WeakPolarHBondContact CD-OE2 3.36Å; K66-E88 WeakPolarHBondContact CE-OE2 3.31Å; K66-E88 IonicContact NZ-OE2 2.79Å; K66-E88 PolarHBondContact NZ-OE2 3.29Å; K66-Y91 HydrophobicContact CD-CD1 4.04Å; K66-Y91 HydrophobicContact CD-CE1 3.53Å; K66-I92 HydrophobicContact CB-CD1 4.49Å
67	V	92.3	Very high	86.1	Confident	3 Å²	3	51.7 Å²	51.7	2%	0.018	28%	0.282	C	S	.	.			trans	-140.7	146.2	-175.6	-59.1	0	0	0	0	110.2	L59 Q65 F69 M82 R83 V84 I92	L59-V67 HydrophobicContact CB-CG2 4.15Å; Q65-V67 WeakPolarHBondContact CG-O 3.41Å; Q65-V67 PolarHBondContact NE2-O 3.27Å; V67-F69 HydrophobicContact CG2-CD2 4.12Å; V67-F69 HydrophobicContact CG2-CE1 4.43Å; V67-F69 HydrophobicContact CG2-CE2 3.48Å; V67-F69 VanDerWaalsContact CG2-CE2 3.48Å; V67-F69 HydrophobicContact CG2-CZ 3.67Å; V67-M82 HydrophobicContact CB-CB 4.41Å; V67-M82 HydrophobicContact CB-SD 4.17Å; V67-M82 HydrophobicContact CG1-SD 3.94Å; V67-M82 HydrophobicContact CG2-SD 4.35Å; V67-R83 WeakPolarHBondContact CA-O 3.42Å; V67-V84 HydrophobicContact CG1-CG2 4.11Å; V67-I92 HydrophobicContact CG1-CD1 3.82Å; V67-I92 HydrophobicContact CG1-CG1 4.05Å
68	D	94.1	Very high	86	Confident	9 Å²	9	48.3 Å²	48.3	5%	0.048	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	110.3	173.7	158.1	33	0	0	0	108.2	W70 M82 R83 R198	D68-W70 PolarHBondContact O-N 2.98Å; D68-W70 PolarHBondContact OD2-NE1 3.41Å; D68-M82 CarbonylContact O-C 3.57Å; D68-M82 WeakPolarHBondContact O-CA 3.29Å; D68-R83 HydrophobicContact CB-CB 4.16Å; D68-R83 PolarHBondContact N-O 3.4Å; D68-R83 PolarHBondContact O-N 2.9Å; D68-R83 IonicContact OD2-NE 3.08Å; D68-R83 PolarHBondContact OD2-NE 2.84Å; D68-R198 IonicContact OD1-CZ 3.93Å; D68-R198 IonicContact OD1-NH1 2.59Å; D68-R198 PolarHBondContact OD1-NH1 3.29Å; D68-R198 IonicContact OD1-NH2 3.38Å; D68-R198 IonicContact OD2-NH1 3.36Å
69	F	94.8	Very high	86.2	Confident	19 Å²	19	45.1 Å²	45.1	8%	0.083	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	115.8	-180	-71.4	-77.1	0	0	0	110.1	L56 L59 E60 V67 V80 M82 R198	L56-F69 WeakPolarHBondContact O-CZ 3.44Å; L59-F69 HydrophobicContact CB-CZ 4.27Å; E60-F69 HydrophobicContact CB-CD2 4.21Å; E60-F69 HydrophobicContact CB-CE2 3.65Å; E60-F69 HydrophobicContact CG-CD2 4.11Å; E60-F69 HydrophobicContact CG-CE2 4.06Å; V67-F69 HydrophobicContact CG2-CD2 4.12Å; V67-F69 HydrophobicContact CG2-CE1 4.43Å; V67-F69 HydrophobicContact CG2-CE2 3.48Å; V67-F69 VanDerWaalsContact CG2-CE2 3.48Å; V67-F69 HydrophobicContact CG2-CZ 3.67Å; F69-V80 HydrophobicContact CD1-CG1 3.67Å; F69-V80 HydrophobicContact CE1-CG1 3.56Å; F69-M82 HydrophobicContact CD1-CB 3.83Å; F69-M82 HydrophobicContact CE1-CB 3.97Å; F69-M82 HydrophobicContact CE1-SD 4.14Å; F69-R198 PolarHBondContact O-NH2 3.09Å
70	W	96.2	Very high	86.6	Confident	17 Å²	17	45 Å²	45	6%	0.064	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	-38.7	169.5	-73	19	0	0	0	110.1	V42 D68 D81 M106 I107 I110 L252 Y325 F406 L407	V42-W70 HydrophobicContact CG1-CD2 4.29Å; V42-W70 HydrophobicContact CG1-CE3 4.15Å; V42-W70 HydrophobicContact CG2-CD2 4.22Å; V42-W70 HydrophobicContact CG2-CE3 4.14Å; V42-W70 HydrophobicContact CG2-CH2 3.76Å; V42-W70 HydrophobicContact CG2-CZ2 3.84Å; V42-W70 HydrophobicContact CG2-CZ3 3.91Å; D68-W70 PolarHBondContact O-N 2.98Å; D68-W70 PolarHBondContact OD2-NE1 3.41Å; W70-D81 HydrophobicContact CB-CB 4.08Å; W70-D81 PolarHBondContact N-O 3.06Å; W70-M106 HydrophobicContact CE3-CE 4.16Å; W70-M106 HydrophobicContact CZ3-CE 4.41Å; W70-I107 HydrophobicContact CH2-CD1 3.82Å; W70-I107 HydrophobicContact CZ3-CD1 3.64Å; W70-I110 HydrophobicContact CZ2-CD1 4.12Å; W70-L252 HydrophobicContact CZ2-CD1 4.06Å; W70-L252 HydrophobicContact CZ2-CD2 3.81Å; W70-Y325 HydrophobicContact CB-CE1 4.07Å; W70-Y325 WeakPolarHBondContact CB-OH 3.44Å; W70-Y325 AromaticContact CE3-CE1 3.97Å; W70-Y325 HydrophobicContact CE3-CE1 3.97Å; W70-F406 HydrophobicContact CB-CE2 3.65Å; W70-F406 HydrophobicContact CB-CZ 4.15Å; W70-F406 AromaticContact CD1-CE2 3.66Å; W70-F406 AromaticContact CD2-CD2 3.56Å; W70-F406 HydrophobicContact CD2-CD2 3.56Å; W70-F406 AromaticContact CD2-CE2 3.53Å; W70-F406 HydrophobicContact CD2-CE2 3.53Å; W70-F406 AromaticContact CE2-CD2 3.69Å; W70-F406 AromaticContact CE2-CE2 3.95Å; W70-F406 AromaticContact CE3-CD2 3.85Å; W70-F406 HydrophobicContact CE3-CD2 3.85Å; W70-F406 HydrophobicContact CE3-CE2 4.07Å; W70-F406 AromaticContact CG-CD2 3.92Å; W70-F406 HydrophobicContact CG-CD2 3.92Å; W70-F406 AromaticContact CG-CE2 3.35Å; W70-F406 HydrophobicContact CG-CE2 3.35Å; W70-F406 HydrophobicContact CG-CZ 4.31Å; W70-F406 HydrophobicContact CH2-CD2 4.35Å; W70-F406 HydrophobicContact CZ2-CD2 4.1Å; W70-F406 HydrophobicContact CZ3-CD2 4.24Å; W70-F406 AromaticContact NE1-CE2 3.98Å; W70-L407 HydrophobicContact CH2-CD1 4.41Å; W70-L407 HydrophobicContact CH2-CG 4.37Å
71	R	93.4	Very high	87.5	Confident	28 Å²	28	42.6 Å²	42.6	11%	0.106	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	111.1	168.6	-176.1	176.4	178.7	163.7	5	109.1	P79 V80 D81	R71-P79 VanDerWaalsContact CD-O 3.3Å; R71-P79 WeakPolarHBondContact CD-O 3.4Å; R71-P79 PolarHBondContact NE-O 3.46Å; R71-V80 WeakPolarHBondContact O-CA 3.41Å; R71-V80 WeakPolarHBondContact O-CG1 3.35Å; R71-D81 HydrophobicContact CB-CB 3.93Å; R71-D81 PolarHBondContact N-O 3.48Å; R71-D81 PolarHBondContact O-N 2.72Å
72	G	89.7	Confident	88.5	Confident	21 Å²	21	40 Å²	40	22%	0.216	22%	0.217	C	C	.	.			trans	-72.9	167.3	-173.5	0	0	0	0	0	115	A74	G72-A74 PolarHBondContact O-N 2.87Å
73	P	89.3	Confident	89.3	Confident	18 Å²	18	39.1 Å²	39.1	12%	0.117	21%	0.21	C	C	.	.			trans	-67.4	101.1	178.1	27.9	-34.8	0	0	0	112.8	L53 L56 R57 V80	L53-P73 HydrophobicContact CD1-CB 3.46Å; L53-P73 VanDerWaalsContact CD1-CB 3.46Å; L53-P73 HydrophobicContact CG-CB 3.98Å; L56-P73 HydrophobicContact CB-CB 4.11Å; L56-P73 HydrophobicContact CB-CG 4.49Å; R57-P73 HydrophobicContact CB-CG 4.35Å; R57-P73 HydrophobicContact CG-CB 3.89Å; R57-P73 HydrophobicContact CG-CG 3.49Å; R57-P73 VanDerWaalsContact CG-CG 3.49Å; P73-V80 HydrophobicContact CB-CG2 4.11Å
74	A	86.2	Confident	90.4	Very high	19 Å²	19	31.6 Å²	31.6	16%	0.157	18%	0.177	C	C	.	.			trans	-93.5	-71.1	-177.3	0	0	0	0	0	113.4	L53 R57 G72 L78 L374 Y375	L53-A74 WeakPolarHBondContact CD2-O 3.46Å; R57-A74 PolarHBondContact NH2-O 3.1Å; G72-A74 PolarHBondContact O-N 2.87Å; A74-L78 HydrophobicContact CB-CB 4.49Å; A74-L78 HydrophobicContact CB-CD1 4Å; A74-L374 WeakPolarHBondContact CB-O 3.42Å; A74-Y375 HydrophobicContact CB-CD1 4.35Å; A74-Y375 HydrophobicContact CB-CG 4.36Å
75	R	85.4	Confident	91.3	Very high	75 Å²	75	27.5 Å²	27.5	28%	0.283	15%	0.15	S	C	.	.			trans	-153.6	160.4	179.9	59.7	175.8	177	-114.2	2.9	109.4	L53 S77 L78 T372 T373	L53-R75 VanDerWaalsContact CD2-CA 3.46Å; R75-S77 WeakPolarHBondContact CD-OG 3.28Å; R75-S77 PolarHBondContact NE-OG 3.36Å; R75-S77 PolarHBondContact O-N 3.45Å; R75-S77 VanDerWaalsContact O-N 3.09Å; R75-L78 HydrophobicContact CG-CB 4.38Å; R75-L78 HydrophobicContact CG-CD1 4.03Å; R75-L78 HydrophobicContact CG-CG 3.93Å; R75-L78 PolarHBondContact O-N 3.44Å; R75-T372 PolarHBondContact NH1-O 3.11Å; R75-T372 PolarHBondContact NH2-O 3.46Å; R75-T373 PolarHBondContact NH2-O 2.77Å
76	P	83.9	Confident	92.1	Very high	42 Å²	42	30.8 Å²	30.8	27%	0.273	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-28.9	-173.9	-29.1	37.5	0	0	0	115.3	A47 E50 L78	A47-P76 CarbonylContact O-C 3.57Å; A47-P76 WeakPolarHBondContact O-CA 3.39Å; A47-P76 WeakPolarHBondContact O-CB 3.49Å; E50-P76 VanDerWaalsContact OE1-CD 3.31Å; E50-P76 WeakPolarHBondContact OE1-CD 3.38Å; P76-L78 PolarHBondContact O-N 3.24Å
77	S	80.5	Confident	92.5	Very high	92 Å²	92	32.9 Å²	32.9	64%	0.643	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-6.6	179.7	57.6	0	0	0	0	114.9	R75	R75-S77 WeakPolarHBondContact CD-OG 3.28Å; R75-S77 PolarHBondContact NE-OG 3.36Å; R75-S77 PolarHBondContact O-N 3.45Å; R75-S77 VanDerWaalsContact O-N 3.09Å
78	L	87.4	Confident	92.7	Very high	24 Å²	24	35 Å²	35	13%	0.126	19%	0.194	C	C	.	.	S	Bend	trans	-113.3	139.6	-178.1	-65	-176.9	0	0	0	111.4	A74 R75 P76 L374	A74-L78 HydrophobicContact CB-CB 4.49Å; A74-L78 HydrophobicContact CB-CD1 4Å; R75-L78 HydrophobicContact CG-CB 4.38Å; R75-L78 HydrophobicContact CG-CD1 4.03Å; R75-L78 HydrophobicContact CG-CG 3.93Å; R75-L78 PolarHBondContact O-N 3.44Å; P76-L78 PolarHBondContact O-N 3.24Å; L78-L374 WeakPolarHBondContact CD1-O 3.31Å
79	P	94	Very high	92.8	Very high	22 Å²	22	35.2 Å²	35.2	14%	0.143	20%	0.196	C	C	.	.			trans	-68.5	148.8	175.4	28.9	-33.9	0	0	0	111.6	R44 L46 R71	R44-P79 HydrophobicContact CG-CB 3.87Å; L46-P79 HydrophobicContact CD2-CB 3.89Å; R71-P79 VanDerWaalsContact CD-O 3.3Å; R71-P79 WeakPolarHBondContact CD-O 3.4Å; R71-P79 PolarHBondContact NE-O 3.46Å
80	V	95.6	Very high	92.9	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	122.9	169.1	179.9	0	0	0	0	108	R44 V45 L53 L56 F69 R71 P73	R44-V80 CarbonylContact C-O 2.98Å; R44-V80 WeakPolarHBondContact CA-O 3.46Å; V45-V80 HydrophobicContact CB-CB 4.44Å; V45-V80 PolarHBondContact N-O 3.3Å; V45-V80 PolarHBondContact O-N 2.67Å; L53-V80 HydrophobicContact CD1-CG2 4.31Å; L56-V80 HydrophobicContact CD1-CB 4.06Å; L56-V80 HydrophobicContact CD1-CG1 4.29Å; L56-V80 HydrophobicContact CD1-CG2 3.76Å; F69-V80 HydrophobicContact CD1-CG1 3.67Å; F69-V80 HydrophobicContact CE1-CG1 3.56Å; R71-V80 WeakPolarHBondContact O-CA 3.41Å; R71-V80 WeakPolarHBondContact O-CG1 3.35Å; P73-V80 HydrophobicContact CB-CG2 4.11Å
81	D	97.5	Very high	92.9	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	122.7	177.2	-60.8	-24.2	0	0	0	108.4	V42 L43 R44 W70 R71 M106 Y325	V42-D81 HydrophobicContact CG1-CB 4.41Å; L43-D81 WeakPolarHBondContact O-CA 3.49Å; R44-D81 IonicContact CZ-OD1 3.82Å; R44-D81 IonicContact CZ-OD2 2.72Å; R44-D81 IonicContact NE-OD1 3.45Å; R44-D81 PolarHBondContact NE-OD1 3.11Å; R44-D81 IonicContact NE-OD2 3.74Å; R44-D81 VanDerWaalsContact NH2-CG 3.34Å; R44-D81 IonicContact NH2-OD1 2.73Å; R44-D81 PolarHBondContact NH2-OD1 3.28Å; R44-D81 VanDerWaalsContact NH2-OD1 3.14Å; R44-D81 IonicContact NH2-OD2 2.97Å; R44-D81 PolarHBondContact NH2-OD2 3.41Å; W70-D81 HydrophobicContact CB-CB 4.08Å; W70-D81 PolarHBondContact N-O 3.06Å; R71-D81 HydrophobicContact CB-CB 3.93Å; R71-D81 PolarHBondContact N-O 3.48Å; R71-D81 PolarHBondContact O-N 2.72Å; D81-M106 HydrophobicContact CB-CE 4.25Å; D81-Y325 VanDerWaalsContact CB-OH 3.26Å; D81-Y325 WeakPolarHBondContact CB-OH 3.41Å; D81-Y325 PolarHBondContact OD2-OH 3.2Å
82	M	96.2	Very high	93	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	129.1	179.1	64.2	178.8	126.6	0	0	111.7	V42 L43 V45 L56 L59 V67 D68 F69 V84 L96	V42-M82 WeakPolarHBondContact CA-O 3.24Å; L43-M82 HydrophobicContact CB-CG 4.38Å; L43-M82 PolarHBondContact N-O 3.13Å; L43-M82 PolarHBondContact O-N 3.44Å; V45-M82 HydrophobicContact CB-CE 4.25Å; V45-M82 HydrophobicContact CG2-CE 3.25Å; L56-M82 HydrophobicContact CD2-CE 3.8Å; L59-M82 HydrophobicContact CD1-CE 4.43Å; L59-M82 HydrophobicContact CD1-SD 4.36Å; V67-M82 HydrophobicContact CB-CB 4.41Å; V67-M82 HydrophobicContact CB-SD 4.17Å; V67-M82 HydrophobicContact CG1-SD 3.94Å; V67-M82 HydrophobicContact CG2-SD 4.35Å; D68-M82 CarbonylContact O-C 3.57Å; D68-M82 WeakPolarHBondContact O-CA 3.29Å; F69-M82 HydrophobicContact CD1-CB 3.83Å; F69-M82 HydrophobicContact CE1-CB 3.97Å; F69-M82 HydrophobicContact CE1-SD 4.14Å; M82-V84 HydrophobicContact CG-CG2 4.05Å; M82-V84 HydrophobicContact SD-CG2 4.34Å; M82-L96 HydrophobicContact CE-CD1 4.36Å; M82-L96 HydrophobicContact CE-CD2 4.18Å
83	R	97.1	Very high	93.4	Very high	40 Å²	40	46.7 Å²	46.7	15%	0.151	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	131.2	162.2	175.2	-177.9	74.7	92	5.3	108.6	D40 Q41 V42 V67 D68 I110	D40-R83 HydrophobicContact CB-CG 4.43Å; D40-R83 IonicContact OD2-CZ 3.88Å; D40-R83 IonicContact OD2-NH1 3.62Å; D40-R83 PolarHBondContact OD2-NH1 3.33Å; Q41-R83 CarbonylContact O-C 3.55Å; Q41-R83 WeakPolarHBondContact O-CA 3.29Å; V42-R83 HydrophobicContact CG2-CB 4.33Å; V67-R83 WeakPolarHBondContact CA-O 3.42Å; D68-R83 HydrophobicContact CB-CB 4.16Å; D68-R83 PolarHBondContact N-O 3.4Å; D68-R83 PolarHBondContact O-N 2.9Å; D68-R83 IonicContact OD2-NE 3.08Å; D68-R83 PolarHBondContact OD2-NE 2.84Å; R83-I110 HydrophobicContact CB-CD1 4.2Å; R83-I110 VanDerWaalsContact CD-CD1 3.48Å; R83-I110 HydrophobicContact CG-CD1 3.53Å
84	V	97.6	Very high	93.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	118.8	173.9	-175.2	0	0	0	0	108.2	Q41 L43 V67 M82 E88 L89 I92	Q41-V84 PolarHBondContact N-O 3.48Å; Q41-V84 VanDerWaalsContact N-O 3.16Å; Q41-V84 PolarHBondContact O-N 2.96Å; L43-V84 HydrophobicContact CD1-CG2 3.85Å; L43-V84 HydrophobicContact CG-CG2 4.03Å; V67-V84 HydrophobicContact CG1-CG2 4.11Å; M82-V84 HydrophobicContact CG-CG2 4.05Å; M82-V84 HydrophobicContact SD-CG2 4.34Å; V84-E88 HydrophobicContact CG1-CB 4.07Å; V84-L89 HydrophobicContact CB-CD2 3.7Å; V84-L89 HydrophobicContact CB-CG 4.49Å; V84-L89 HydrophobicContact CG1-CD2 3.72Å; V84-L89 HydrophobicContact CG1-CG 4.12Å; V84-I92 HydrophobicContact CG1-CB 3.9Å; V84-I92 HydrophobicContact CG1-CG1 3.74Å; V84-I92 HydrophobicContact CG1-CG2 4.3Å; V84-I92 HydrophobicContact CG2-CB 4.48Å; V84-I92 HydrophobicContact CG2-CG2 3.96Å
85	P	96.8	Very high	94.3	Very high	26 Å²	26	49 Å²	49	17%	0.169	25%	0.252	C	S	.	.			trans	-54.6	144.1	174	-25.3	34.8	0	0	0	112.1	D40 K66 S87 E88 L89	D40-P85 VanDerWaalsContact OD1-CA 3.26Å; D40-P85 WeakPolarHBondContact OD1-CA 3.49Å; K66-P85 WeakPolarHBondContact O-CD 3.44Å; P85-S87 PolarHBondContact O-N 3.38Å; P85-S87 VanDerWaalsContact O-N 3.11Å; P85-E88 HydrophobicContact CB-CG 4.46Å; P85-E88 PolarHBondContact O-N 3.39Å; P85-L89 PolarHBondContact O-N 3.34Å; P85-L89 VanDerWaalsContact O-N 3.14Å
86	F	97.6	Very high	94.8	Very high	139 Å²	139	45.5 Å²	45.5	61%	0.61	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-50.3	-41.6	-179.4	178.5	-106.3	0	0	0	112.9	D40 E88 L89	D40-F86 PolarHBondContact OD1-N 3.48Å; F86-E88 VanDerWaalsContact C-N 3.26Å; F86-E88 PolarHBondContact O-N 3.39Å; F86-L89 HydrophobicContact CD2-CD1 3.88Å; F86-L89 PolarHBondContact O-N 3.25Å
87	S	96	Very high	95.4	Very high	96 Å²	96	49.1 Å²	49.1	67%	0.671	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-63.4	-26.9	178.5	57.9	0	0	0	0	114.1	P85	P85-S87 PolarHBondContact O-N 3.38Å; P85-S87 VanDerWaalsContact O-N 3.11Å
88	E	96.6	Very high	96.2	Very high	47 Å²	47	49 Å²	49	22%	0.22	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-98.5	-12.2	-177.6	-63.1	-60.8	140.6	0	0	112.9	K66 V84 P85 F86 K90 Y91 I92	K66-E88 HydrophobicContact CB-CG 4.39Å; K66-E88 WeakPolarHBondContact CD-OE2 3.36Å; K66-E88 WeakPolarHBondContact CE-OE2 3.31Å; K66-E88 IonicContact NZ-OE2 2.79Å; K66-E88 PolarHBondContact NZ-OE2 3.29Å; V84-E88 HydrophobicContact CG1-CB 4.07Å; P85-E88 HydrophobicContact CB-CG 4.46Å; P85-E88 PolarHBondContact O-N 3.39Å; F86-E88 VanDerWaalsContact C-N 3.26Å; F86-E88 PolarHBondContact O-N 3.39Å; E88-K90 PolarHBondContact O-N 3.02Å; E88-Y91 PolarHBondContact O-N 2.91Å; E88-Y91 VanDerWaalsContact O-N 3.08Å; E88-I92 HydrophobicContact CB-CG1 4.28Å; E88-I92 PolarHBondContact O-N 2.67Å
89	L	96.3	Very high	96.6	Very high	15 Å²	15	51.6 Å²	51.6	8%	0.079	26%	0.262	C	S	.	.	H	α-helix	trans	-53.7	-47.2	-173	-79	171.3	0	0	0	113.9	G39 Q41 V84 P85 F86 Y91 I92 K93	G39-L89 VanDerWaalsContact O-CD1 3.27Å; G39-L89 WeakPolarHBondContact O-CD1 3.44Å; Q41-L89 HydrophobicContact CB-CD2 3.73Å; Q41-L89 HydrophobicContact CG-CD1 3.77Å; Q41-L89 HydrophobicContact CG-CD2 3.76Å; Q41-L89 HydrophobicContact CG-CG 4.44Å; V84-L89 HydrophobicContact CB-CD2 3.7Å; V84-L89 HydrophobicContact CB-CG 4.49Å; V84-L89 HydrophobicContact CG1-CD2 3.72Å; V84-L89 HydrophobicContact CG1-CG 4.12Å; P85-L89 PolarHBondContact O-N 3.34Å; P85-L89 VanDerWaalsContact O-N 3.14Å; F86-L89 HydrophobicContact CD2-CD1 3.88Å; F86-L89 PolarHBondContact O-N 3.25Å; L89-Y91 VanDerWaalsContact C-N 3.29Å; L89-Y91 PolarHBondContact O-N 2.91Å; L89-I92 PolarHBondContact O-N 3.2Å; L89-K93 WeakPolarHBondContact O-CB 3.31Å; L89-K93 VanDerWaalsContact O-CG 3.3Å; L89-K93 WeakPolarHBondContact O-CG 3.38Å; L89-K93 PolarHBondContact O-N 3.03Å
90	K	97.3	Very high	96.7	Very high	187 Å²	187	52.5 Å²	52.5	81%	0.813	28%	0.276	S	S	*	.	H	α-helix	trans	-60.8	-43.1	-178.9	-178.5	-179.9	176.4	-178	0	111	E88 A94	E88-K90 PolarHBondContact O-N 3.02Å; K90-A94 WeakPolarHBondContact O-CB 3.46Å; K90-A94 PolarHBondContact O-N 2.93Å
91	Y	96	Very high	96.7	Very high	94 Å²	94	52.7 Å²	52.7	37%	0.369	28%	0.277	S	S	.	.	H	α-helix	trans	-68.5	-48.4	-179.9	160.6	-102.8	0	0	0	111.4	K66 E88 L89 A94 Y95	K66-Y91 HydrophobicContact CD-CD1 4.04Å; K66-Y91 HydrophobicContact CD-CE1 3.53Å; E88-Y91 PolarHBondContact O-N 2.91Å; E88-Y91 VanDerWaalsContact O-N 3.08Å; L89-Y91 VanDerWaalsContact C-N 3.29Å; L89-Y91 PolarHBondContact O-N 2.91Å; Y91-A94 PolarHBondContact O-N 2.84Å; Y91-Y95 WeakPolarHBondContact O-CB 3.29Å; Y91-Y95 PolarHBondContact O-N 3.05Å
92	I	96.8	Very high	96.6	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-65.1	-43.1	-178.1	-65.3	-64.2	0	0	0	111.1	L43 L59 K66 V67 V84 E88 L89 A94 Y95 L96	L43-I92 HydrophobicContact CD1-CG2 4.31Å; L59-I92 HydrophobicContact CD2-CD1 4.13Å; K66-I92 HydrophobicContact CB-CD1 4.49Å; V67-I92 HydrophobicContact CG1-CD1 3.82Å; V67-I92 HydrophobicContact CG1-CG1 4.05Å; V84-I92 HydrophobicContact CG1-CB 3.9Å; V84-I92 HydrophobicContact CG1-CG1 3.74Å; V84-I92 HydrophobicContact CG1-CG2 4.3Å; V84-I92 HydrophobicContact CG2-CB 4.48Å; V84-I92 HydrophobicContact CG2-CG2 3.96Å; E88-I92 HydrophobicContact CB-CG1 4.28Å; E88-I92 PolarHBondContact O-N 2.67Å; L89-I92 PolarHBondContact O-N 3.2Å; I92-A94 PolarHBondContact O-N 3.12Å; I92-Y95 WeakPolarHBondContact O-CB 3.35Å; I92-Y95 PolarHBondContact O-N 2.89Å; I92-Y95 VanDerWaalsContact O-N 3.16Å; I92-L96 HydrophobicContact CG2-CD1 4.15Å; I92-L96 HydrophobicContact CG2-CG 4.31Å; I92-L96 VanDerWaalsContact O-CG 3.31Å; I92-L96 WeakPolarHBondContact O-CG 3.43Å; I92-L96 PolarHBondContact O-N 2.77Å
93	K	97.7	Very high	96.6	Very high	44 Å²	44	58.2 Å²	58.2	19%	0.191	31%	0.309	C	S	.	.	H	α-helix	trans	-61	-45.4	176.9	-72.5	-179	178.3	179.9	0	112.2	L43 L89 Y95 L96 E97 Y103	L43-K93 HydrophobicContact CD1-CG 4.32Å; L89-K93 WeakPolarHBondContact O-CB 3.31Å; L89-K93 VanDerWaalsContact O-CG 3.3Å; L89-K93 WeakPolarHBondContact O-CG 3.38Å; L89-K93 PolarHBondContact O-N 3.03Å; K93-Y95 VanDerWaalsContact C-N 3.31Å; K93-Y95 PolarHBondContact O-N 3.25Å; K93-L96 PolarHBondContact O-N 3.09Å; K93-E97 WeakPolarHBondContact O-CB 3.39Å; K93-E97 VanDerWaalsContact O-CG 3.29Å; K93-E97 WeakPolarHBondContact O-CG 3.4Å; K93-E97 PolarHBondContact O-N 2.86Å; K93-Y103 WeakPolarHBondContact CB-OH 3.23Å; K93-Y103 HydrophobicContact CD-CE2 4.25Å; K93-Y103 WeakPolarHBondContact CD-OH 3.1Å; K93-Y103 HydrophobicContact CG-CE2 4Å; K93-Y103 WeakPolarHBondContact CG-OH 3.28Å
94	A	97.5	Very high	96.6	Very high	49 Å²	49	59.2 Å²	59.2	41%	0.405	32%	0.322	S	S	.	.	H	α-helix	trans	-62.5	-37.6	175	0	0	0	0	0	112.3	K90 Y91 I92 S98	K90-A94 WeakPolarHBondContact O-CB 3.46Å; K90-A94 PolarHBondContact O-N 2.93Å; Y91-A94 PolarHBondContact O-N 2.84Å; I92-A94 PolarHBondContact O-N 3.12Å; A94-S98 VanDerWaalsContact O-CB 3.32Å; A94-S98 WeakPolarHBondContact O-CB 3.35Å; A94-S98 PolarHBondContact O-N 3.31Å; A94-S98 PolarHBondContact O-OG 2.95Å
95	Y	96	Very high	96.7	Very high	38 Å²	38	62.6 Å²	62.6	15%	0.149	34%	0.34	C	S	.	.	H	α-helix	trans	-62.2	-48	174.1	177.9	-90.4	0	0	0	111.5	L55 L59 Y91 I92 K93 E97 S98 H99 L101	L55-Y95 PolarHBondContact O-OH 2.72Å; L59-Y95 HydrophobicContact CD1-CD1 4.19Å; L59-Y95 HydrophobicContact CD1-CE1 4.02Å; L59-Y95 HydrophobicContact CD2-CD1 3.99Å; L59-Y95 HydrophobicContact CD2-CE1 3.79Å; L59-Y95 HydrophobicContact CD2-CG 4.5Å; L59-Y95 HydrophobicContact CG-CD1 4.45Å; L59-Y95 HydrophobicContact CG-CE1 3.99Å; Y91-Y95 WeakPolarHBondContact O-CB 3.29Å; Y91-Y95 PolarHBondContact O-N 3.05Å; I92-Y95 WeakPolarHBondContact O-CB 3.35Å; I92-Y95 PolarHBondContact O-N 2.89Å; I92-Y95 VanDerWaalsContact O-N 3.16Å; K93-Y95 VanDerWaalsContact C-N 3.31Å; K93-Y95 PolarHBondContact O-N 3.25Å; Y95-E97 PolarHBondContact O-N 3.48Å; Y95-S98 PolarHBondContact O-OG 3.36Å; Y95-H99 AromaticContact CD2-CE1 3.6Å; Y95-H99 AromaticContact CD2-ND1 3.81Å; Y95-H99 AromaticContact CE2-CE1 3.35Å; Y95-H99 WeakPolarHBondContact CE2-CE1 3.21Å; Y95-H99 AromaticContact CE2-ND1 3.77Å; Y95-H99 AromaticContact CZ-CE1 3.89Å; Y95-H99 AromaticContact CZ-ND1 3.99Å; Y95-H99 PolarHBondContact O-N 3.5Å; Y95-H99 PolarHBondContact O-ND1 3.45Å; Y95-L101 HydrophobicContact CE1-CD1 4.49Å
96	L	96.6	Very high	96.7	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-60.7	-46.2	177.4	-63.8	175.5	0	0	0	111.4	L43 V45 L56 M82 I92 K93 H99 G100 L101 Y103	L43-L96 HydrophobicContact CD1-CD1 3.98Å; V45-L96 HydrophobicContact CG1-CD2 4.34Å; V45-L96 HydrophobicContact CG2-CD1 3.98Å; V45-L96 HydrophobicContact CG2-CD2 4.28Å; L56-L96 HydrophobicContact CD2-CD2 3.94Å; M82-L96 HydrophobicContact CE-CD1 4.36Å; M82-L96 HydrophobicContact CE-CD2 4.18Å; I92-L96 HydrophobicContact CG2-CD1 4.15Å; I92-L96 HydrophobicContact CG2-CG 4.31Å; I92-L96 VanDerWaalsContact O-CG 3.31Å; I92-L96 WeakPolarHBondContact O-CG 3.43Å; I92-L96 PolarHBondContact O-N 2.77Å; K93-L96 PolarHBondContact O-N 3.09Å; L96-H99 PolarHBondContact O-N 3.19Å; L96-G100 PolarHBondContact O-N 2.91Å; L96-G100 VanDerWaalsContact O-N 3.15Å; L96-L101 HydrophobicContact CB-CB 4.08Å; L96-L101 HydrophobicContact CD2-CB 3.87Å; L96-L101 HydrophobicContact CD2-CD1 3.6Å; L96-L101 HydrophobicContact CD2-CG 4.34Å; L96-L101 WeakPolarHBondContact O-CB 3.45Å; L96-L101 PolarHBondContact O-N 2.84Å; L96-Y103 HydrophobicContact CB-CD1 3.82Å; L96-Y103 HydrophobicContact CB-CE1 4.14Å; L96-Y103 HydrophobicContact CD1-CD1 3.71Å; L96-Y103 HydrophobicContact CD1-CD2 4.47Å; L96-Y103 HydrophobicContact CD1-CE1 4.33Å; L96-Y103 HydrophobicContact CD1-CG 3.8Å; L96-Y103 HydrophobicContact CG-CD1 4.42Å
97	E	97.2	Very high	96.7	Very high	118 Å²	118	56.9 Å²	56.9	55%	0.551	31%	0.313	S	S	*	.	H	α-helix	trans	-62.7	-46.9	-179.9	-73.4	160.8	-160.5	0	0	112.4	K93 Y95 H99 G100 Y103	K93-E97 WeakPolarHBondContact O-CB 3.39Å; K93-E97 VanDerWaalsContact O-CG 3.29Å; K93-E97 WeakPolarHBondContact O-CG 3.4Å; K93-E97 PolarHBondContact O-N 2.86Å; Y95-E97 PolarHBondContact O-N 3.48Å; E97-H99 PolarHBondContact O-N 2.9Å; E97-G100 PolarHBondContact O-N 3.25Å; E97-Y103 HydrophobicContact CG-CE1 4.02Å; E97-Y103 PolarHBondContact OE1-OH 3.32Å
98	S	97	Very high	96.8	Very high	90 Å²	90	60.2 Å²	60.2	63%	0.629	32%	0.316	S	S	*	.	H	α-helix	trans	-64.8	-23.3	179.8	56.9	0	0	0	0	114	A94 Y95	A94-S98 VanDerWaalsContact O-CB 3.32Å; A94-S98 WeakPolarHBondContact O-CB 3.35Å; A94-S98 PolarHBondContact O-N 3.31Å; A94-S98 PolarHBondContact O-OG 2.95Å; Y95-S98 PolarHBondContact O-OG 3.36Å
99	H	95.6	Very high	96.9	Very high	78 Å²	78	60.1 Å²	60.1	36%	0.361	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	6.3	175.7	-63.9	83.2	0	0	0	113.4	Q52 L55 Y95 L96 E97 L101	Q52-H99 PolarHBondContact NE2-O 3.3Å; L55-H99 HydrophobicContact CD1-CB 3.72Å; Y95-H99 AromaticContact CD2-CE1 3.6Å; Y95-H99 AromaticContact CD2-ND1 3.81Å; Y95-H99 AromaticContact CE2-CE1 3.35Å; Y95-H99 WeakPolarHBondContact CE2-CE1 3.21Å; Y95-H99 AromaticContact CE2-ND1 3.77Å; Y95-H99 AromaticContact CZ-CE1 3.89Å; Y95-H99 AromaticContact CZ-ND1 3.99Å; Y95-H99 PolarHBondContact O-N 3.5Å; Y95-H99 PolarHBondContact O-ND1 3.45Å; L96-H99 PolarHBondContact O-N 3.19Å; E97-H99 PolarHBondContact O-N 2.9Å; H99-L101 HydrophobicContact CB-CD1 4.22Å; H99-L101 HydrophobicContact CB-CG 4.5Å; H99-L101 PolarHBondContact O-N 3.43Å
100	G	95.3	Very high	97	Very high	42 Å²	42	59.4 Å²	59.4	43%	0.433	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.2	24.7	179.3	0	0	0	0	0	114.2	Q52 L96 E97 A102	Q52-G100 VanDerWaalsContact NE2-C 3.35Å; Q52-G100 PolarHBondContact NE2-O 3.26Å; L96-G100 PolarHBondContact O-N 2.91Å; L96-G100 VanDerWaalsContact O-N 3.15Å; E97-G100 PolarHBondContact O-N 3.25Å; G100-A102 PolarHBondContact O-N 3.18Å
101	L	95.6	Very high	97.1	Very high	4 Å²	4	51.2 Å²	51.2	2%	0.021	28%	0.277	C	S	.	.			trans	-78.9	113.6	175	-76.2	159.7	0	0	0	109.1	V45 Q52 L55 L56 Y95 L96 H99 Y103	V45-L101 HydrophobicContact CG1-CB 4.08Å; V45-L101 HydrophobicContact CG1-CD2 4.05Å; Q52-L101 HydrophobicContact CB-CD2 3.69Å; Q52-L101 HydrophobicContact CG-CD2 4.03Å; L55-L101 HydrophobicContact CB-CD1 4.37Å; L55-L101 HydrophobicContact CD1-CD1 4.48Å; L56-L101 HydrophobicContact CD1-CD2 4.31Å; L56-L101 HydrophobicContact CD2-CD1 4.01Å; L56-L101 HydrophobicContact CD2-CD2 4.48Å; L56-L101 HydrophobicContact CG-CD1 4.4Å; L56-L101 HydrophobicContact CG-CD2 4.28Å; Y95-L101 HydrophobicContact CE1-CD1 4.49Å; L96-L101 HydrophobicContact CB-CB 4.08Å; L96-L101 HydrophobicContact CD2-CB 3.87Å; L96-L101 HydrophobicContact CD2-CD1 3.6Å; L96-L101 HydrophobicContact CD2-CG 4.34Å; L96-L101 WeakPolarHBondContact O-CB 3.45Å; L96-L101 PolarHBondContact O-N 2.84Å; H99-L101 HydrophobicContact CB-CD1 4.22Å; H99-L101 HydrophobicContact CB-CG 4.5Å; H99-L101 PolarHBondContact O-N 3.43Å; L101-Y103 PolarHBondContact O-N 2.94Å
102	A	95.2	Very high	97.2	Very high	49 Å²	49	50.2 Å²	50.2	41%	0.405	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	129.5	177	0	0	0	0	0	109.8	V45 L46 G100	V45-A102 WeakPolarHBondContact CA-O 3.29Å; V45-A102 WeakPolarHBondContact CG1-O 3.29Å; L46-A102 PolarHBondContact N-O 3.13Å; G100-A102 PolarHBondContact O-N 3.18Å
103	Y	97.1	Very high	97.3	Very high	66 Å²	66	51.3 Å²	51.3	26%	0.259	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	158.9	177.5	73.7	-87.3	0	0	0	112.5	L43 R44 K93 L96 E97 L101	L43-Y103 HydrophobicContact CD1-CD2 4.23Å; L43-Y103 HydrophobicContact CD1-CE2 4.5Å; L43-Y103 HydrophobicContact CD2-CD2 4.2Å; L43-Y103 HydrophobicContact CD2-CE2 4.43Å; R44-Y103 CarbonylContact O-C 3.57Å; R44-Y103 WeakPolarHBondContact O-CA 3.12Å; K93-Y103 WeakPolarHBondContact CB-OH 3.23Å; K93-Y103 HydrophobicContact CD-CE2 4.25Å; K93-Y103 WeakPolarHBondContact CD-OH 3.1Å; K93-Y103 HydrophobicContact CG-CE2 4Å; K93-Y103 WeakPolarHBondContact CG-OH 3.28Å; L96-Y103 HydrophobicContact CB-CD1 3.82Å; L96-Y103 HydrophobicContact CB-CE1 4.14Å; L96-Y103 HydrophobicContact CD1-CD1 3.71Å; L96-Y103 HydrophobicContact CD1-CD2 4.47Å; L96-Y103 HydrophobicContact CD1-CE1 4.33Å; L96-Y103 HydrophobicContact CD1-CG 3.8Å; L96-Y103 HydrophobicContact CG-CD1 4.42Å; E97-Y103 HydrophobicContact CG-CE1 4.02Å; E97-Y103 PolarHBondContact OE1-OH 3.32Å; L101-Y103 PolarHBondContact O-N 2.94Å
104	S	97.6	Very high	97.3	Very high	62 Å²	62	49.2 Å²	49.2	43%	0.434	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	152.1	171.3	59.7	0	0	0	0	109.9	L43 R44 M106	L43-S104 WeakPolarHBondContact CA-O 3.4Å; R44-S104 PolarHBondContact N-O 3.49Å; R44-S104 PolarHBondContact O-N 3.25Å; S104-M106 PolarHBondContact O-N 2.72Å
105	I	98.3	Very high	97.3	Very high	71 Å²	71	50.7 Å²	50.7	36%	0.364	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	108.6	174.8	-57.3	169.6	0	0	0	107.3	Q41 L43 I107 K108	Q41-I105 HydrophobicContact CB-CG2 4.44Å; L43-I105 HydrophobicContact CD2-CB 4.45Å; L43-I105 HydrophobicContact CD2-CG1 3.9Å; I105-I107 WeakPolarHBondContact CG2-O 3.25Å; I105-K108 HydrophobicContact CG2-CB 4.45Å; I105-K108 HydrophobicContact CG2-CG 3.88Å
106	M	97.7	Very high	97.4	Very high	37 Å²	37	54 Å²	54	18%	0.182	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	-47.7	-179.5	-171.3	175.4	84.4	0	0	110.7	V42 R44 W70 D81 S104 G402	V42-M106 HydrophobicContact CB-CB 4.49Å; V42-M106 HydrophobicContact CB-CE 3.86Å; V42-M106 HydrophobicContact CG1-CE 3.22Å; V42-M106 HydrophobicContact CG1-SD 4.48Å; V42-M106 WeakPolarHBondContact O-CB 3.4Å; V42-M106 PolarHBondContact O-N 2.75Å; R44-M106 HydrophobicContact CB-CB 4.4Å; R44-M106 HydrophobicContact CB-SD 4.44Å; W70-M106 HydrophobicContact CE3-CE 4.16Å; W70-M106 HydrophobicContact CZ3-CE 4.41Å; D81-M106 HydrophobicContact CB-CE 4.25Å; S104-M106 PolarHBondContact O-N 2.72Å; M106-G402 WeakPolarHBondContact CE-O 3.26Å; M106-G402 WeakPolarHBondContact CG-O 3.43Å; M106-G402 VanDerWaalsContact SD-C 3.56Å
107	I	98.6	Very high	97.5	Very high	8 Å²	8	54.9 Å²	54.9	4%	0.041	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	122.7	175.1	-59.8	174.7	0	0	0	107.7	Q41 V42 W70 I105 I110 L113	Q41-I107 VanDerWaalsContact CA-O 3.29Å; Q41-I107 WeakPolarHBondContact CA-O 3.34Å; Q41-I107 WeakPolarHBondContact CB-O 3.39Å; V42-I107 HydrophobicContact CB-CB 3.98Å; V42-I107 HydrophobicContact CB-CD1 4.27Å; V42-I107 HydrophobicContact CB-CG1 4.23Å; V42-I107 HydrophobicContact CG2-CB 4.01Å; V42-I107 HydrophobicContact CG2-CD1 3.89Å; V42-I107 HydrophobicContact CG2-CG1 4.29Å; V42-I107 PolarHBondContact N-O 3.12Å; V42-I107 PolarHBondContact O-N 3.14Å; W70-I107 HydrophobicContact CH2-CD1 3.82Å; W70-I107 HydrophobicContact CZ3-CD1 3.64Å; I105-I107 WeakPolarHBondContact CG2-O 3.25Å; I107-I110 HydrophobicContact CG2-CG1 4Å; I107-L113 HydrophobicContact CD1-CD1 3.95Å; I107-L113 HydrophobicContact CG1-CD1 4.29Å; I107-L113 HydrophobicContact CG2-CD1 3.8Å
108	K	98.1	Very high	97.4	Very high	166 Å²	166	53 Å²	53	72%	0.722	29%	0.287	S	S	*	.	S	Bend	trans	-79.7	-32.8	-174	-71.7	-175.7	179.6	179	0	114	Q41 I105	Q41-K108 WeakPolarHBondContact CG-O 3.41Å; Q41-K108 PolarHBondContact NE2-O 2.81Å; Q41-K108 VanDerWaalsContact NE2-O 3.07Å; I105-K108 HydrophobicContact CG2-CB 4.45Å; I105-K108 HydrophobicContact CG2-CG 3.88Å
109	D	98.4	Very high	97.5	Very high	45 Å²	45	55.7 Å²	55.7	24%	0.241	29%	0.29	C	S	.	.			trans	-153.1	113.6	176.1	-168.3	-23.6	0	0	0	107.8	G39 D40 Q111 V112	G39-D109 PolarHBondContact N-OD1 3.02Å; G39-D109 PolarHBondContact N-OD2 3.36Å; D40-D109 WeakPolarHBondContact O-CA 3.49Å; D109-Q111 VanDerWaalsContact C-N 3.27Å; D109-Q111 PolarHBondContact O-N 3.47Å; D109-Q111 WeakPolarHBondContact OD1-CB 3.28Å; D109-Q111 PolarHBondContact OD1-N 3.03Å; D109-V112 HydrophobicContact CB-CG2 3.89Å
110	I	98.3	Very high	97.5	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-64.7	-35.1	179.1	-71.9	178.7	0	0	0	110.9	F37 D40 V42 W70 R83 I107 V112 L113 L114 L252 L407	F37-I110 HydrophobicContact CB-CB 3.99Å; F37-I110 HydrophobicContact CB-CG2 3.66Å; F37-I110 HydrophobicContact CG-CG2 4.06Å; D40-I110 HydrophobicContact CB-CB 4.28Å; D40-I110 HydrophobicContact CB-CD1 3.96Å; D40-I110 HydrophobicContact CB-CG1 4.32Å; D40-I110 PolarHBondContact O-N 3.49Å; V42-I110 HydrophobicContact CG2-CD1 3.66Å; V42-I110 HydrophobicContact CG2-CG1 4.03Å; W70-I110 HydrophobicContact CZ2-CD1 4.12Å; R83-I110 HydrophobicContact CB-CD1 4.2Å; R83-I110 VanDerWaalsContact CD-CD1 3.48Å; R83-I110 HydrophobicContact CG-CD1 3.53Å; I107-I110 HydrophobicContact CG2-CG1 4Å; I110-V112 PolarHBondContact O-N 3.27Å; I110-L113 PolarHBondContact O-N 2.88Å; I110-L114 HydrophobicContact CG2-CD1 3.92Å; I110-L114 HydrophobicContact CG2-CG 4.11Å; I110-L114 WeakPolarHBondContact O-CG 3.49Å; I110-L114 PolarHBondContact O-N 2.81Å; I110-L114 VanDerWaalsContact O-N 3.13Å; I110-L252 HydrophobicContact CD1-CD1 4.32Å; I110-L252 HydrophobicContact CG2-CD1 4.48Å; I110-L407 HydrophobicContact CG2-CD1 3.88Å
111	Q	98.3	Very high	97.6	Very high	15 Å²	15	52.5 Å²	52.5	7%	0.07	27%	0.272	C	S	.	.	H	α-helix	trans	-63.8	-32.7	-175.3	-168.2	57.2	54	0	0	112.2	N36 D109 L113 L114 D115 R118	N36-Q111 PolarHBondContact OD1-OE1 3.37Å; D109-Q111 VanDerWaalsContact C-N 3.27Å; D109-Q111 PolarHBondContact O-N 3.47Å; D109-Q111 WeakPolarHBondContact OD1-CB 3.28Å; D109-Q111 PolarHBondContact OD1-N 3.03Å; Q111-L113 PolarHBondContact O-N 3.23Å; Q111-L114 WeakPolarHBondContact O-CB 3.49Å; Q111-L114 PolarHBondContact O-N 3.32Å; Q111-D115 PolarHBondContact NE2-OD1 3.17Å; Q111-D115 WeakPolarHBondContact O-CB 3.46Å; Q111-D115 PolarHBondContact O-N 2.92Å; Q111-R118 VanDerWaalsContact NE2-NH1 3.12Å
112	V	98.4	Very high	97.7	Very high	72 Å²	72	54.3 Å²	54.3	44%	0.436	29%	0.287	S	S	.	.	H	α-helix	trans	-59.5	-47.6	175.7	174.8	0	0	0	0	111.2	D109 I110 L114 D115 E116	D109-V112 HydrophobicContact CB-CG2 3.89Å; I110-V112 PolarHBondContact O-N 3.27Å; V112-L114 VanDerWaalsContact C-N 3.31Å; V112-L114 PolarHBondContact O-N 3.18Å; V112-D115 PolarHBondContact O-N 2.96Å; V112-E116 WeakPolarHBondContact O-CG 3.24Å; V112-E116 PolarHBondContact O-N 3.41Å
113	L	98.4	Very high	97.7	Very high	24 Å²	24	59.4 Å²	59.4	13%	0.126	30%	0.3	C	S	.	.	H	α-helix	trans	-66.4	-34.9	178.5	-62.9	-178.1	0	0	0	111.9	I107 I110 Q111 E117 Y404 L407	I107-L113 HydrophobicContact CD1-CD1 3.95Å; I107-L113 HydrophobicContact CG1-CD1 4.29Å; I107-L113 HydrophobicContact CG2-CD1 3.8Å; I110-L113 PolarHBondContact O-N 2.88Å; Q111-L113 PolarHBondContact O-N 3.23Å; L113-E117 WeakPolarHBondContact O-CB 3.43Å; L113-E117 PolarHBondContact O-N 3.22Å; L113-Y404 HydrophobicContact CD1-CD1 4.21Å; L113-Y404 HydrophobicContact CD2-CD1 4.07Å; L113-Y404 HydrophobicContact CD2-CE1 4.12Å; L113-L407 HydrophobicContact CB-CB 4.2Å; L113-L407 HydrophobicContact CB-CD1 3.84Å; L113-L407 HydrophobicContact CD1-CB 4.28Å; L113-L407 HydrophobicContact CD1-CD1 4.22Å
114	L	98.1	Very high	97.6	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-66.9	-38.9	175.4	-67.3	-178.3	0	0	0	112.6	F37 I110 Q111 V112 E117 R118 R251 L407	F37-L114 HydrophobicContact CB-CD1 4.23Å; F37-L114 HydrophobicContact CD2-CD1 3.35Å; F37-L114 HydrophobicContact CE2-CD1 4.04Å; F37-L114 HydrophobicContact CG-CD1 4.08Å; I110-L114 HydrophobicContact CG2-CD1 3.92Å; I110-L114 HydrophobicContact CG2-CG 4.11Å; I110-L114 WeakPolarHBondContact O-CG 3.49Å; I110-L114 PolarHBondContact O-N 2.81Å; I110-L114 VanDerWaalsContact O-N 3.13Å; Q111-L114 WeakPolarHBondContact O-CB 3.49Å; Q111-L114 PolarHBondContact O-N 3.32Å; V112-L114 VanDerWaalsContact C-N 3.31Å; V112-L114 PolarHBondContact O-N 3.18Å; L114-E117 PolarHBondContact O-N 2.93Å; L114-R118 WeakPolarHBondContact O-CB 3.38Å; L114-R118 WeakPolarHBondContact O-CD 3.23Å; L114-R118 WeakPolarHBondContact O-CG 3.4Å; L114-R118 PolarHBondContact O-N 3.08Å; L114-R251 HydrophobicContact CD2-CB 4.05Å; L114-R251 HydrophobicContact CD2-CG 3.44Å; L114-R251 VanDerWaalsContact CD2-CG 3.44Å; L114-L407 HydrophobicContact CD2-CD1 3.92Å; L114-L407 HydrophobicContact CD2-CD2 3.52Å; L114-L407 HydrophobicContact CD2-CG 4.37Å; L114-L407 HydrophobicContact CG-CD1 4.18Å
115	D	97.9	Very high	97.4	Very high	80 Å²	80	57.2 Å²	57.2	43%	0.428	28%	0.284	S	S	.	.	H	α-helix	trans	-68.8	-41.1	178.2	-67.1	-18.4	0	0	0	110.6	Q111 V112 R118 E119	Q111-D115 PolarHBondContact NE2-OD1 3.17Å; Q111-D115 WeakPolarHBondContact O-CB 3.46Å; Q111-D115 PolarHBondContact O-N 2.92Å; V112-D115 PolarHBondContact O-N 2.96Å; D115-R118 PolarHBondContact O-N 3.14Å; D115-R118 IonicContact OD1-NH1 2.67Å; D115-R118 PolarHBondContact OD1-NH1 3.38Å; D115-E119 WeakPolarHBondContact O-CB 3.43Å; D115-E119 PolarHBondContact O-N 2.9Å
116	E	98	Very high	97.1	Very high	106 Å²	106	62.9 Å²	62.9	50%	0.495	30%	0.301	S	S	.	.	H	α-helix	trans	-59.8	-45.5	171.5	-71.6	176.4	179.4	0	0	112.1	V112 E119 A120	V112-E116 WeakPolarHBondContact O-CG 3.24Å; V112-E116 PolarHBondContact O-N 3.41Å; E116-E119 PolarHBondContact O-N 3.31Å; E116-A120 WeakPolarHBondContact O-CB 3.31Å; E116-A120 PolarHBondContact O-N 2.95Å
117	E	98.1	Very high	96.7	Very high	19 Å²	19	66.1 Å²	66.1	9%	0.089	32%	0.318	C	S	.	.	H	α-helix	trans	-58.8	-49.3	176.1	-179.9	-176.9	78.2	0	0	111.2	L113 L114 E119 A120 M121 Y139 W200 R251	L113-E117 WeakPolarHBondContact O-CB 3.43Å; L113-E117 PolarHBondContact O-N 3.22Å; L114-E117 PolarHBondContact O-N 2.93Å; E117-E119 PolarHBondContact O-N 2.91Å; E117-A120 PolarHBondContact O-N 3.49Å; E117-M121 HydrophobicContact CG-SD 4.31Å; E117-M121 WeakPolarHBondContact O-CG 3.08Å; E117-M121 PolarHBondContact O-N 3.5Å; E117-Y139 HydrophobicContact CG-CD2 4.34Å; E117-W200 HydrophobicContact CG-CE3 4.48Å; E117-W200 HydrophobicContact CG-CZ3 4.02Å; E117-W200 WeakPolarHBondContact OE1-CZ3 3.44Å; E117-R251 IonicContact OE1-CZ 3.88Å; E117-R251 IonicContact OE1-NE 3.58Å; E117-R251 PolarHBondContact OE1-NE 3.45Å; E117-R251 IonicContact OE1-NH2 2.9Å; E117-R251 IonicContact OE2-CZ 3.1Å; E117-R251 IonicContact OE2-NE 3.08Å; E117-R251 PolarHBondContact OE2-NE 3.29Å; E117-R251 IonicContact OE2-NH2 3.19Å; E117-R251 PolarHBondContact OE2-NH2 2.94Å
118	R	96.6	Very high	96.3	Very high	79 Å²	79	67.1 Å²	67.1	30%	0.298	32%	0.323	S	S	.	.	H	α-helix	trans	-64	-41.1	-180	-72.4	167	-178.1	165.1	-0.1	112.1	Q111 L114 D115 M121 A122	Q111-R118 VanDerWaalsContact NE2-NH1 3.12Å; L114-R118 WeakPolarHBondContact O-CB 3.38Å; L114-R118 WeakPolarHBondContact O-CD 3.23Å; L114-R118 WeakPolarHBondContact O-CG 3.4Å; L114-R118 PolarHBondContact O-N 3.08Å; D115-R118 PolarHBondContact O-N 3.14Å; D115-R118 IonicContact OD1-NH1 2.67Å; D115-R118 PolarHBondContact OD1-NH1 3.38Å; R118-M121 PolarHBondContact O-N 3.35Å; R118-A122 VanDerWaalsContact O-CB 3.3Å; R118-A122 WeakPolarHBondContact O-CB 3.46Å; R118-A122 PolarHBondContact O-N 2.82Å
119	E	97.4	Very high	95.7	Very high	146 Å²	146	68.6 Å²	68.6	68%	0.682	32%	0.324	S	S	*	.	H	α-helix	trans	-63.1	-45.9	176.3	-173.7	179.8	175.6	0	0	111	D115 E116 E117 M121 A122 K123	D115-E119 WeakPolarHBondContact O-CB 3.43Å; D115-E119 PolarHBondContact O-N 2.9Å; E116-E119 PolarHBondContact O-N 3.31Å; E117-E119 PolarHBondContact O-N 2.91Å; E119-M121 PolarHBondContact O-N 2.98Å; E119-A122 PolarHBondContact O-N 3.16Å; E119-K123 WeakPolarHBondContact O-CB 3.46Å; E119-K123 PolarHBondContact O-N 2.75Å
120	A	97.3	Very high	94.6	Very high	43 Å²	43	70.6 Å²	70.6	36%	0.355	34%	0.341	S	S	.	.	H	α-helix	trans	-60.5	-46.4	177.4	0	0	0	0	0	111.9	E116 E117 K123 S124	E116-A120 WeakPolarHBondContact O-CB 3.31Å; E116-A120 PolarHBondContact O-N 2.95Å; E117-A120 PolarHBondContact O-N 3.49Å; A120-K123 PolarHBondContact O-N 2.97Å; A120-S124 PolarHBondContact O-N 3.42Å
121	M	96.9	Very high	93.7	Very high	11 Å²	11	74 Å²	74	5%	0.054	36%	0.362	C	S	.	.	H	α-helix	trans	-61.3	-45.4	175.4	-71.6	179.6	79.6	0	0	112	E117 R118 E119 K123 S124 R125 Y139 W200	E117-M121 HydrophobicContact CG-SD 4.31Å; E117-M121 WeakPolarHBondContact O-CG 3.08Å; E117-M121 PolarHBondContact O-N 3.5Å; R118-M121 PolarHBondContact O-N 3.35Å; E119-M121 PolarHBondContact O-N 2.98Å; M121-K123 VanDerWaalsContact C-N 3.28Å; M121-K123 PolarHBondContact O-N 2.95Å; M121-S124 PolarHBondContact O-N 3.19Å; M121-R125 VanDerWaalsContact CE-NH2 3.34Å; M121-R125 WeakPolarHBondContact O-CG 3.4Å; M121-R125 PolarHBondContact O-N 3.49Å; M121-Y139 WeakPolarHBondContact CE-O 3.41Å; M121-W200 HydrophobicContact CE-CZ3 4.24Å; M121-W200 HydrophobicContact SD-CH2 4.14Å; M121-W200 HydrophobicContact SD-CZ3 3.6Å
122	A	96.2	Very high	93	Very high	41 Å²	41	79 Å²	79	34%	0.339	40%	0.398	S	S	.	.	H	α-helix	trans	-61.9	-38	178.9	0	0	0	0	0	111.8	R118 E119 R126	R118-A122 VanDerWaalsContact O-CB 3.3Å; R118-A122 WeakPolarHBondContact O-CB 3.46Å; R118-A122 PolarHBondContact O-N 2.82Å; E119-A122 PolarHBondContact O-N 3.16Å; A122-R126 WeakPolarHBondContact O-CG 3.35Å; A122-R126 PolarHBondContact O-N 3.06Å
123	K	95.4	Very high	92.5	Very high	156 Å²	156	78.6 Å²	78.6	68%	0.678	40%	0.399	S	S	*	.	H	α-helix	trans	-66.3	-45	174.2	-173.4	-179.9	178.2	-177.9	0	111.8	E119 A120 M121 R126 L127	E119-K123 WeakPolarHBondContact O-CB 3.46Å; E119-K123 PolarHBondContact O-N 2.75Å; A120-K123 PolarHBondContact O-N 2.97Å; M121-K123 VanDerWaalsContact C-N 3.28Å; M121-K123 PolarHBondContact O-N 2.95Å; K123-R126 PolarHBondContact O-N 3.25Å; K123-L127 PolarHBondContact O-N 3.04Å
124	S	94.9	Very high	92.2	Very high	15 Å²	15	79.8 Å²	79.8	11%	0.105	40%	0.403	C	S	.	.	H	α-helix	trans	-59.3	-50.3	177	-166.8	0	0	0	0	111.2	A120 M121 R126 L127 E128 S135 S138	A120-S124 PolarHBondContact O-N 3.42Å; M121-S124 PolarHBondContact O-N 3.19Å; S124-R126 VanDerWaalsContact C-N 3.25Å; S124-R126 PolarHBondContact O-N 2.67Å; S124-L127 CarbonylContact O-C 3.56Å; S124-L127 WeakPolarHBondContact O-CA 3.26Å; S124-L127 WeakPolarHBondContact O-CB 3.36Å; S124-L127 PolarHBondContact O-N 2.87Å; S124-E128 WeakPolarHBondContact O-CG 3.37Å; S124-E128 PolarHBondContact O-N 2.74Å; S124-E128 PolarHBondContact OG-OE1 3.32Å; S124-S135 VanDerWaalsContact OG-CB 3.29Å; S124-S135 WeakPolarHBondContact OG-CB 3.26Å; S124-S135 PolarHBondContact OG-OG 3.19Å; S124-S138 VanDerWaalsContact CB-OG 3.29Å; S124-S138 WeakPolarHBondContact CB-OG 3.38Å; S124-S138 WeakPolarHBondContact OG-CB 3.13Å; S124-S138 PolarHBondContact OG-OG 2.99Å
125	R	93.8	Very high	92.2	Very high	67 Å²	67	80.8 Å²	80.8	25%	0.253	41%	0.41	S	S	.	.	H	α-helix	trans	-57.2	-36.6	179.2	-72.2	-179.6	-176.9	150.6	10.2	113.7	M121 R129 E144	M121-R125 VanDerWaalsContact CE-NH2 3.34Å; M121-R125 WeakPolarHBondContact O-CG 3.4Å; M121-R125 PolarHBondContact O-N 3.49Å; R125-R129 VanDerWaalsContact O-CG 3.28Å; R125-R129 WeakPolarHBondContact O-CG 3.29Å; R125-R129 PolarHBondContact O-N 2.93Å; R125-E144 VanDerWaalsContact CD-OE1 3.29Å; R125-E144 WeakPolarHBondContact CD-OE1 3.34Å; R125-E144 WeakPolarHBondContact CG-OE1 3.27Å; R125-E144 IonicContact CZ-OE1 3.68Å; R125-E144 IonicContact CZ-OE2 3.57Å; R125-E144 IonicContact NE-OE1 3.41Å; R125-E144 PolarHBondContact NE-OE1 3.37Å; R125-E144 IonicContact NE-OE2 3.3Å; R125-E144 PolarHBondContact NE-OE2 2.9Å; R125-E144 IonicContact NH2-OE1 3.93Å; R125-E144 IonicContact NH2-OE2 3.33Å; R125-E144 PolarHBondContact NH2-OE2 2.91Å; R125-E144 VanDerWaalsContact NH2-OE2 3.08Å
126	R	91.9	Very high	92.1	Very high	190 Å²	190	79.6 Å²	79.6	72%	0.717	40%	0.4	S	S	*	.	H	α-helix	trans	-65.3	-41.6	175	-72.6	174.9	-172.3	-168.7	4.2	111.2	A122 K123 S124 S130	A122-R126 WeakPolarHBondContact O-CG 3.35Å; A122-R126 PolarHBondContact O-N 3.06Å; K123-R126 PolarHBondContact O-N 3.25Å; S124-R126 VanDerWaalsContact C-N 3.25Å; S124-R126 PolarHBondContact O-N 2.67Å; R126-S130 PolarHBondContact O-N 2.93Å
127	L	90.3	Very high	92	Very high	105 Å²	105	77.2 Å²	77.2	55%	0.55	40%	0.395	S	S	.	.	H	α-helix	trans	-66.4	-48.8	177.5	-176.8	62.7	0	0	0	111.3	K123 S124 R129 S130 T131	K123-L127 PolarHBondContact O-N 3.04Å; S124-L127 CarbonylContact O-C 3.56Å; S124-L127 WeakPolarHBondContact O-CA 3.26Å; S124-L127 WeakPolarHBondContact O-CB 3.36Å; S124-L127 PolarHBondContact O-N 2.87Å; L127-R129 VanDerWaalsContact C-N 3.3Å; L127-R129 PolarHBondContact O-N 3Å; L127-S130 WeakPolarHBondContact O-CA 3.14Å; L127-S130 WeakPolarHBondContact O-CB 3.33Å; L127-S130 PolarHBondContact O-N 3.28Å; L127-S130 PolarHBondContact O-OG 3.5Å; L127-T131 HydrophobicContact CD1-CG2 3.89Å; L127-T131 HydrophobicContact CG-CG2 4.33Å; L127-T131 PolarHBondContact O-N 3.01Å; L127-T131 PolarHBondContact O-OG1 3Å; L127-T131 VanDerWaalsContact O-OG1 3.12Å
128	E	90.4	Very high	92	Very high	29 Å²	29	76.6 Å²	76.6	14%	0.136	39%	0.393	C	S	.	.	H	α-helix	trans	-59.9	-38.8	-178.7	-65.4	178.4	-124	0	0	112.3	S124 S130 T131 S132 S133 S135 H140	S124-E128 WeakPolarHBondContact O-CG 3.37Å; S124-E128 PolarHBondContact O-N 2.74Å; S124-E128 PolarHBondContact OG-OE1 3.32Å; E128-S130 VanDerWaalsContact C-N 3.26Å; E128-S130 PolarHBondContact O-N 3.16Å; E128-T131 PolarHBondContact O-N 3.43Å; E128-S132 VanDerWaalsContact O-CA 3.31Å; E128-S132 WeakPolarHBondContact O-CA 3.24Å; E128-S132 PolarHBondContact O-N 3.08Å; E128-S133 WeakPolarHBondContact CB-O 3.47Å; E128-S133 VanDerWaalsContact CG-O 3.28Å; E128-S133 WeakPolarHBondContact CG-O 3.41Å; E128-S135 WeakPolarHBondContact OE1-CB 3.06Å; E128-S135 PolarHBondContact OE2-N 3.48Å; E128-S135 VanDerWaalsContact OE2-N 3.14Å; E128-H140 IonicContact OE1-CE1 3.94Å; E128-H140 PolarHBondContact OE1-CE1 2.95Å; E128-H140 IonicContact OE2-CE1 2.78Å; E128-H140 PolarHBondContact OE2-CE1 3.44Å
129	R	85.2	Confident	92.1	Very high	197 Å²	197	73.2 Å²	73.2	74%	0.743	38%	0.38	S	S	*	.	H	α-helix	trans	-63.8	-30.1	172.5	-73.6	174.8	-173.4	162.8	3	113.4	R125 L127	R125-R129 VanDerWaalsContact O-CG 3.28Å; R125-R129 WeakPolarHBondContact O-CG 3.29Å; R125-R129 PolarHBondContact O-N 2.93Å; L127-R129 VanDerWaalsContact C-N 3.3Å; L127-R129 PolarHBondContact O-N 3Å
130	S	74.9	Confident	92.1	Very high	88 Å²	88	66.6 Å²	66.6	62%	0.615	35%	0.349	S	S	*	.	H	α-helix	trans	-84.1	-31.8	-179.8	71.7	0	0	0	0	113.2	R126 L127 E128	R126-S130 PolarHBondContact O-N 2.93Å; L127-S130 WeakPolarHBondContact O-CA 3.14Å; L127-S130 WeakPolarHBondContact O-CB 3.33Å; L127-S130 PolarHBondContact O-N 3.28Å; L127-S130 PolarHBondContact O-OG 3.5Å; E128-S130 VanDerWaalsContact C-N 3.26Å; E128-S130 PolarHBondContact O-N 3.16Å
131	T	79.6	Confident	92.2	Very high	72 Å²	72	65.6 Å²	65.6	44%	0.442	34%	0.339	S	S	.	.	H	α-helix	trans	-99.3	-10.9	-177.4	58.1	0	0	0	0	113.4	L127 E128 S133	L127-T131 HydrophobicContact CD1-CG2 3.89Å; L127-T131 HydrophobicContact CG-CG2 4.33Å; L127-T131 PolarHBondContact O-N 3.01Å; L127-T131 PolarHBondContact O-OG1 3Å; L127-T131 VanDerWaalsContact O-OG1 3.12Å; E128-T131 PolarHBondContact O-N 3.43Å; T131-S133 WeakPolarHBondContact CB-OG 3.31Å; T131-S133 PolarHBondContact O-N 3.47Å; T131-S133 PolarHBondContact OG1-OG 2.73Å
132	S	82.6	Confident	92.3	Very high	118 Å²	118	65.3 Å²	65.3	83%	0.825	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	35.5	-172.1	-58.6	0	0	0	0	112.8	E128	E128-S132 VanDerWaalsContact O-CA 3.31Å; E128-S132 WeakPolarHBondContact O-CA 3.24Å; E128-S132 PolarHBondContact O-N 3.08Å
133	S	87.9	Confident	92.4	Very high	64 Å²	64	68.7 Å²	68.7	45%	0.448	35%	0.346	S	S	.	.			trans	-128.8	133.9	-177	67.3	0	0	0	0	110.7	E128 T131	E128-S133 WeakPolarHBondContact CB-O 3.47Å; E128-S133 VanDerWaalsContact CG-O 3.28Å; E128-S133 WeakPolarHBondContact CG-O 3.41Å; T131-S133 WeakPolarHBondContact CB-OG 3.31Å; T131-S133 PolarHBondContact O-N 3.47Å; T131-S133 PolarHBondContact OG1-OG 2.73Å
134	F	93.6	Very high	92.5	Very high	50 Å²	50	63.6 Å²	63.6	22%	0.219	33%	0.325	C	S	.	.			trans	-69.2	137.7	175.9	-173.7	-93.2	0	0	0	112	Y136 H140 W148 I207	F134-Y136 HydrophobicContact CD1-CD1 4.09Å; F134-Y136 HydrophobicContact CD1-CD2 4.21Å; F134-Y136 AromaticContact CD1-CE1 3.94Å; F134-Y136 HydrophobicContact CD1-CE1 3.94Å; F134-Y136 HydrophobicContact CD1-CE2 4.05Å; F134-Y136 HydrophobicContact CD1-CG 4.22Å; F134-Y136 AromaticContact CD1-CZ 3.91Å; F134-Y136 HydrophobicContact CE1-CD1 4Å; F134-Y136 HydrophobicContact CE1-CE1 4.04Å; F134-Y136 HydrophobicContact CE1-CG 4.41Å; F134-H140 AromaticContact CE1-CD2 3.97Å; F134-H140 AromaticContact CE1-NE2 3.62Å; F134-H140 AromaticContact CE2-CD2 3.85Å; F134-H140 AromaticContact CE2-CE1 3.6Å; F134-H140 AromaticContact CE2-CG 3.9Å; F134-H140 AromaticContact CE2-ND1 3.78Å; F134-H140 AromaticContact CE2-NE2 3.65Å; F134-H140 AromaticContact CZ-CD2 3.28Å; F134-H140 WeakPolarHBondContact CZ-CD2 3.49Å; F134-H140 AromaticContact CZ-CE1 3.7Å; F134-H140 AromaticContact CZ-CG 3.76Å; F134-H140 AromaticContact CZ-NE2 3.23Å; F134-H140 WeakPolarHBondContact CZ-NE2 3.27Å; F134-W148 AromaticContact CD1-CD1 3.58Å; F134-W148 HydrophobicContact CD1-CG 4.41Å; F134-W148 AromaticContact CD1-NE1 3.7Å; F134-W148 HydrophobicContact CD2-CB 4Å; F134-W148 AromaticContact CD2-CD1 3.4Å; F134-W148 AromaticContact CD2-CG 3.92Å; F134-W148 HydrophobicContact CD2-CG 3.92Å; F134-W148 AromaticContact CE1-CD1 3.87Å; F134-W148 HydrophobicContact CE1-CG 4.31Å; F134-W148 HydrophobicContact CE2-CB 3.72Å; F134-W148 AromaticContact CE2-CD1 3.69Å; F134-W148 AromaticContact CE2-CG 3.78Å; F134-W148 HydrophobicContact CE2-CG 3.78Å; F134-W148 AromaticContact CG-CD1 3.32Å; F134-W148 HydrophobicContact CG-CG 4.22Å; F134-W148 AromaticContact CG-NE1 3.87Å; F134-W148 HydrophobicContact CZ-CB 4.27Å; F134-W148 AromaticContact CZ-CD1 3.91Å; F134-W148 AromaticContact CZ-CG 3.97Å; F134-W148 HydrophobicContact CZ-CG 3.97Å; F134-I207 HydrophobicContact CE1-CG2 3.62Å; F134-I207 HydrophobicContact CZ-CD1 4.49Å; F134-I207 HydrophobicContact CZ-CG2 3.94Å
135	S	96.3	Very high	92.7	Very high	20 Å²	20	63 Å²	63	14%	0.14	32%	0.32	C	S	.	.			trans	-96.1	109.8	179.7	-176.7	0	0	0	0	112.6	S124 E128 S137 H140	S124-S135 VanDerWaalsContact OG-CB 3.29Å; S124-S135 WeakPolarHBondContact OG-CB 3.26Å; S124-S135 PolarHBondContact OG-OG 3.19Å; E128-S135 WeakPolarHBondContact OE1-CB 3.06Å; E128-S135 PolarHBondContact OE2-N 3.48Å; E128-S135 VanDerWaalsContact OE2-N 3.14Å; S135-S137 PolarHBondContact O-N 3.45Å; S135-S137 PolarHBondContact OG-OG 2.81Å; S135-H140 PolarHBondContact O-NE2 2.82Å
136	Y	97.1	Very high	93	Very high	55 Å²	55	61.7 Å²	61.7	22%	0.216	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	1.8	173.8	-62.7	-85.7	0	0	0	114.2	F134 W148 I207 W208 N211 I413	F134-Y136 HydrophobicContact CD1-CD1 4.09Å; F134-Y136 HydrophobicContact CD1-CD2 4.21Å; F134-Y136 AromaticContact CD1-CE1 3.94Å; F134-Y136 HydrophobicContact CD1-CE1 3.94Å; F134-Y136 HydrophobicContact CD1-CE2 4.05Å; F134-Y136 HydrophobicContact CD1-CG 4.22Å; F134-Y136 AromaticContact CD1-CZ 3.91Å; F134-Y136 HydrophobicContact CE1-CD1 4Å; F134-Y136 HydrophobicContact CE1-CE1 4.04Å; F134-Y136 HydrophobicContact CE1-CG 4.41Å; Y136-W148 HydrophobicContact CE1-CZ2 4Å; Y136-W148 AromaticContact CE1-NE1 3.97Å; Y136-W148 AromaticContact CZ-NE1 3.76Å; Y136-W148 PolarHBondContact OH-NE1 2.86Å; Y136-W148 VanDerWaalsContact OH-NE1 3.12Å; Y136-I207 HydrophobicContact CD1-CG2 3.91Å; Y136-I207 HydrophobicContact CE1-CG2 3.73Å; Y136-W208 HydrophobicContact CD1-CB 4.47Å; Y136-N211 HydrophobicContact CD1-CB 4.36Å; Y136-N211 HydrophobicContact CE1-CB 3.51Å; Y136-N211 PolarHBondContact OH-OD1 2.87Å; Y136-I413 VanDerWaalsContact O-CG2 3.31Å; Y136-I413 WeakPolarHBondContact O-CG2 3.16Å
137	S	96.2	Very high	93.3	Very high	57 Å²	57	55.8 Å²	55.8	40%	0.399	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112	23.7	177.2	62.8	0	0	0	0	112.8	S135	S135-S137 PolarHBondContact O-N 3.45Å; S135-S137 PolarHBondContact OG-OG 2.81Å
138	S	97.4	Very high	93.6	Very high	5 Å²	5	51.5 Å²	51.5	4%	0.035	28%	0.28	C	S	.	.	S	Bend	trans	-134.3	156.8	176.9	-174.7	0	0	0	0	110.8	S124 H140	S124-S138 VanDerWaalsContact CB-OG 3.29Å; S124-S138 WeakPolarHBondContact CB-OG 3.38Å; S124-S138 WeakPolarHBondContact OG-CB 3.13Å; S124-S138 PolarHBondContact OG-OG 2.99Å; S138-H140 PolarHBondContact O-CD2 2.73Å; S138-H140 PolarHBondContact O-NE2 2.61Å
139	Y	98.6	Very high	94	Very high	8 Å²	8	50.3 Å²	50.3	3%	0.031	28%	0.275	C	S	.	.			trans	-79.8	148.8	163.3	-62.4	-58.8	0	0	0	110.3	E117 M121 W200 A204 L408 A410 I413	E117-Y139 HydrophobicContact CG-CD2 4.34Å; M121-Y139 WeakPolarHBondContact CE-O 3.41Å; Y139-W200 HydrophobicContact CD1-CB 3.79Å; Y139-W200 HydrophobicContact CD1-CE3 4.28Å; Y139-W200 AromaticContact CD2-CE3 3.88Å; Y139-W200 HydrophobicContact CD2-CE3 3.88Å; Y139-W200 HydrophobicContact CE1-CB 3.71Å; Y139-W200 WeakPolarHBondContact CE1-O 3.46Å; Y139-W200 HydrophobicContact CG-CB 4.37Å; Y139-W200 AromaticContact CG-CE3 3.73Å; Y139-W200 HydrophobicContact CG-CE3 3.73Å; Y139-W200 HydrophobicContact CG-CZ3 4.45Å; Y139-A204 HydrophobicContact CD1-CB 4.01Å; Y139-A204 HydrophobicContact CE1-CB 3.95Å; Y139-L408 WeakPolarHBondContact CE2-O 3.1Å; Y139-L408 PolarHBondContact OH-O 3.44Å; Y139-A410 HydrophobicContact CE2-CB 4.49Å; Y139-I413 HydrophobicContact CD1-CD1 3.87Å; Y139-I413 HydrophobicContact CD2-CD1 4.35Å; Y139-I413 HydrophobicContact CE1-CD1 3.68Å; Y139-I413 HydrophobicContact CE1-CG1 3.91Å; Y139-I413 HydrophobicContact CE2-CD1 4.2Å; Y139-I413 HydrophobicContact CG-CD1 4.19Å
140	H	98.6	Very high	94.7	Very high	8 Å²	8	44.3 Å²	44.3	4%	0.037	26%	0.257	C	S	.	.			trans	-132	148.6	-171.9	-69	-73	0	0	0	110.2	E128 F134 S135 S138 E144 I145 F243 H247	E128-H140 IonicContact OE1-CE1 3.94Å; E128-H140 PolarHBondContact OE1-CE1 2.95Å; E128-H140 IonicContact OE2-CE1 2.78Å; E128-H140 PolarHBondContact OE2-CE1 3.44Å; F134-H140 AromaticContact CE1-CD2 3.97Å; F134-H140 AromaticContact CE1-NE2 3.62Å; F134-H140 AromaticContact CE2-CD2 3.85Å; F134-H140 AromaticContact CE2-CE1 3.6Å; F134-H140 AromaticContact CE2-CG 3.9Å; F134-H140 AromaticContact CE2-ND1 3.78Å; F134-H140 AromaticContact CE2-NE2 3.65Å; F134-H140 AromaticContact CZ-CD2 3.28Å; F134-H140 WeakPolarHBondContact CZ-CD2 3.49Å; F134-H140 AromaticContact CZ-CE1 3.7Å; F134-H140 AromaticContact CZ-CG 3.76Å; F134-H140 AromaticContact CZ-NE2 3.23Å; F134-H140 WeakPolarHBondContact CZ-NE2 3.27Å; S135-H140 PolarHBondContact O-NE2 2.82Å; S138-H140 PolarHBondContact O-CD2 2.73Å; S138-H140 PolarHBondContact O-NE2 2.61Å; H140-E144 WeakPolarHBondContact CA-OE2 3.34Å; H140-E144 HydrophobicContact CB-CB 3.92Å; H140-E144 IonicContact ND1-OE2 2.67Å; H140-I145 HydrophobicContact CB-CD1 4.47Å; H140-I145 HydrophobicContact CB-CG1 3.87Å; H140-F243 VanDerWaalsContact O-CZ 3.27Å; H140-F243 WeakPolarHBondContact O-CZ 3.29Å; H140-H247 PolarHBondContact O-CE1 2.96Å; H140-H247 PolarHBondContact O-NE2 3.39Å
141	T	98.6	Very high	95.7	Very high	22 Å²	22	44.7 Å²	44.7	14%	0.135	25%	0.252	C	S	.	.			trans	-71	168.1	171.1	76.8	0	0	0	0	111.6	E143 E144 I145	T141-E143 VanDerWaalsContact C-N 3.26Å; T141-E143 VanDerWaalsContact CB-OE2 3.29Å; T141-E143 WeakPolarHBondContact CB-OE2 3.37Å; T141-E143 PolarHBondContact O-N 3.43Å; T141-E143 PolarHBondContact OG1-N 3.01Å; T141-E143 PolarHBondContact OG1-OE2 2.81Å; T141-E144 PolarHBondContact N-OE2 3.25Å; T141-E144 PolarHBondContact O-N 3.21Å; T141-E144 PolarHBondContact OG1-N 2.91Å; T141-I145 VanDerWaalsContact O-CG1 3.32Å; T141-I145 WeakPolarHBondContact O-CG1 3.49Å; T141-I145 PolarHBondContact O-N 3.49Å
142	L	98.8	Very high	96.6	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.026	23%	0.232	C	C	.	.	H	α-helix	trans	-54.3	-43.8	174	-174.5	65.9	0	0	0	112.2	I145 Y146 R172 V237 P240 F243 A244	L142-I145 PolarHBondContact O-N 2.97Å; L142-Y146 HydrophobicContact CD1-CD1 3.92Å; L142-Y146 HydrophobicContact CD1-CE1 3.35Å; L142-Y146 HydrophobicContact CD1-CE2 4.41Å; L142-Y146 HydrophobicContact CG-CD1 4.32Å; L142-Y146 HydrophobicContact CG-CE1 4.06Å; L142-Y146 HydrophobicContact CG-CE2 4.42Å; L142-Y146 WeakPolarHBondContact O-CB 3.41Å; L142-Y146 WeakPolarHBondContact O-CD1 3.33Å; L142-Y146 PolarHBondContact O-N 3.49Å; L142-R172 VanDerWaalsContact CD2-CD 3.42Å; L142-V237 HydrophobicContact CD1-CB 4.18Å; L142-V237 HydrophobicContact CD1-CG1 3.84Å; L142-V237 HydrophobicContact CD1-CG2 4.08Å; L142-P240 HydrophobicContact CD1-CB 3.99Å; L142-P240 HydrophobicContact CD2-CB 4.03Å; L142-F243 HydrophobicContact CB-CD1 4.03Å; L142-F243 HydrophobicContact CB-CE1 4.39Å; L142-F243 HydrophobicContact CD1-CD1 4.08Å; L142-A244 HydrophobicContact CD2-CB 4.13Å
143	E	98.4	Very high	97.4	Very high	112 Å²	112	37 Å²	37	52%	0.523	20%	0.2	S	C	.	.	H	α-helix	trans	-66.8	-38.7	-179.4	-58.7	74.2	-161	0	0	111.9	T141 Y146 S147	T141-E143 VanDerWaalsContact C-N 3.26Å; T141-E143 VanDerWaalsContact CB-OE2 3.29Å; T141-E143 WeakPolarHBondContact CB-OE2 3.37Å; T141-E143 PolarHBondContact O-N 3.43Å; T141-E143 PolarHBondContact OG1-N 3.01Å; T141-E143 PolarHBondContact OG1-OE2 2.81Å; E143-Y146 PolarHBondContact O-N 3.5Å; E143-S147 WeakPolarHBondContact O-CB 3.42Å; E143-S147 PolarHBondContact O-N 3.33Å; E143-S147 PolarHBondContact O-OG 3.42Å
144	E	98.3	Very high	97.9	Very high	49 Å²	49	39.1 Å²	39.1	23%	0.229	21%	0.21	C	C	.	.	H	α-helix	trans	-63.7	-42.9	174.6	-70.1	171.4	151.4	0	0	110.3	R125 H140 T141 W148	R125-E144 VanDerWaalsContact CD-OE1 3.29Å; R125-E144 WeakPolarHBondContact CD-OE1 3.34Å; R125-E144 WeakPolarHBondContact CG-OE1 3.27Å; R125-E144 IonicContact CZ-OE1 3.68Å; R125-E144 IonicContact CZ-OE2 3.57Å; R125-E144 IonicContact NE-OE1 3.41Å; R125-E144 PolarHBondContact NE-OE1 3.37Å; R125-E144 IonicContact NE-OE2 3.3Å; R125-E144 PolarHBondContact NE-OE2 2.9Å; R125-E144 IonicContact NH2-OE1 3.93Å; R125-E144 IonicContact NH2-OE2 3.33Å; R125-E144 PolarHBondContact NH2-OE2 2.91Å; R125-E144 VanDerWaalsContact NH2-OE2 3.08Å; H140-E144 WeakPolarHBondContact CA-OE2 3.34Å; H140-E144 HydrophobicContact CB-CB 3.92Å; H140-E144 IonicContact ND1-OE2 2.67Å; T141-E144 PolarHBondContact N-OE2 3.25Å; T141-E144 PolarHBondContact O-N 3.21Å; T141-E144 PolarHBondContact OG1-N 2.91Å; E144-W148 WeakPolarHBondContact O-CB 3.43Å; E144-W148 PolarHBondContact O-N 3.44Å
145	I	98.8	Very high	98	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-65.8	-43.8	175.9	-62.7	174.3	0	0	0	111.5	H140 T141 L142 W148 I149 I207 V237 F243	H140-I145 HydrophobicContact CB-CD1 4.47Å; H140-I145 HydrophobicContact CB-CG1 3.87Å; T141-I145 VanDerWaalsContact O-CG1 3.32Å; T141-I145 WeakPolarHBondContact O-CG1 3.49Å; T141-I145 PolarHBondContact O-N 3.49Å; L142-I145 PolarHBondContact O-N 2.97Å; I145-W148 WeakPolarHBondContact O-CB 3.36Å; I145-W148 PolarHBondContact O-N 3.38Å; I145-I149 HydrophobicContact CG2-CD1 4.2Å; I145-I149 WeakPolarHBondContact O-CG1 3.33Å; I145-I149 PolarHBondContact O-N 2.94Å; I145-I207 HydrophobicContact CD1-CD1 3.82Å; I145-I207 HydrophobicContact CG1-CD1 3.66Å; I145-I207 HydrophobicContact CG2-CD1 4.23Å; I145-I207 HydrophobicContact CG2-CG1 4.48Å; I145-V237 HydrophobicContact CD1-CG2 4.04Å; I145-V237 HydrophobicContact CG2-CG2 3.96Å; I145-F243 HydrophobicContact CD1-CE1 3.61Å; I145-F243 HydrophobicContact CD1-CZ 3.91Å
146	Y	98.8	Very high	98.1	Very high	40 Å²	40	44.5 Å²	44.5	16%	0.157	23%	0.234	C	C	.	.	H	α-helix	trans	-67.4	-39.2	-179.1	-79.5	19.4	0	0	0	111.5	L142 E143 W148 I149 D150 S173 L175 V237 P240	L142-Y146 HydrophobicContact CD1-CD1 3.92Å; L142-Y146 HydrophobicContact CD1-CE1 3.35Å; L142-Y146 HydrophobicContact CD1-CE2 4.41Å; L142-Y146 HydrophobicContact CG-CD1 4.32Å; L142-Y146 HydrophobicContact CG-CE1 4.06Å; L142-Y146 HydrophobicContact CG-CE2 4.42Å; L142-Y146 WeakPolarHBondContact O-CB 3.41Å; L142-Y146 WeakPolarHBondContact O-CD1 3.33Å; L142-Y146 PolarHBondContact O-N 3.49Å; E143-Y146 PolarHBondContact O-N 3.5Å; Y146-W148 VanDerWaalsContact C-N 3.31Å; Y146-I149 HydrophobicContact CD1-CD1 4.22Å; Y146-I149 WeakPolarHBondContact O-CB 3.37Å; Y146-I149 PolarHBondContact O-N 3.31Å; Y146-D150 PolarHBondContact O-N 2.97Å; Y146-D150 VanDerWaalsContact O-N 3.12Å; Y146-S173 PolarHBondContact OH-O 2.93Å; Y146-L175 HydrophobicContact CD1-CD1 4.05Å; Y146-L175 HydrophobicContact CD2-CD1 3.9Å; Y146-L175 HydrophobicContact CE1-CD1 4.06Å; Y146-L175 HydrophobicContact CE2-CD1 3.89Å; Y146-L175 HydrophobicContact CG-CD1 3.97Å; Y146-V237 HydrophobicContact CE1-CG2 4.47Å; Y146-P240 WeakPolarHBondContact OH-CB 3.29Å
147	S	98.1	Very high	98.1	Very high	66 Å²	66	46.3 Å²	46.3	46%	0.462	26%	0.255	S	S	.	.	H	α-helix	trans	-63.6	-39.8	172.4	-55.2	0	0	0	0	111.3	E143 D150 N151	E143-S147 WeakPolarHBondContact O-CB 3.42Å; E143-S147 PolarHBondContact O-N 3.33Å; E143-S147 PolarHBondContact O-OG 3.42Å; S147-D150 PolarHBondContact O-N 3.3Å; S147-N151 PolarHBondContact O-N 3.37Å; S147-N151 VanDerWaalsContact O-N 3.1Å; S147-N151 PolarHBondContact O-ND2 3.3Å
148	W	98.3	Very high	98	Very high	15 Å²	15	49.4 Å²	49.4	6%	0.057	27%	0.267	C	S	.	.	H	α-helix	trans	-62.6	-43.9	174.3	177.5	85.2	0	0	0	111.8	F134 Y136 E144 I145 Y146 D150 N151 F152 L177 I207 A210 L236	F134-W148 AromaticContact CD1-CD1 3.58Å; F134-W148 HydrophobicContact CD1-CG 4.41Å; F134-W148 AromaticContact CD1-NE1 3.7Å; F134-W148 HydrophobicContact CD2-CB 4Å; F134-W148 AromaticContact CD2-CD1 3.4Å; F134-W148 AromaticContact CD2-CG 3.92Å; F134-W148 HydrophobicContact CD2-CG 3.92Å; F134-W148 AromaticContact CE1-CD1 3.87Å; F134-W148 HydrophobicContact CE1-CG 4.31Å; F134-W148 HydrophobicContact CE2-CB 3.72Å; F134-W148 AromaticContact CE2-CD1 3.69Å; F134-W148 AromaticContact CE2-CG 3.78Å; F134-W148 HydrophobicContact CE2-CG 3.78Å; F134-W148 AromaticContact CG-CD1 3.32Å; F134-W148 HydrophobicContact CG-CG 4.22Å; F134-W148 AromaticContact CG-NE1 3.87Å; F134-W148 HydrophobicContact CZ-CB 4.27Å; F134-W148 AromaticContact CZ-CD1 3.91Å; F134-W148 AromaticContact CZ-CG 3.97Å; F134-W148 HydrophobicContact CZ-CG 3.97Å; Y136-W148 HydrophobicContact CE1-CZ2 4Å; Y136-W148 AromaticContact CE1-NE1 3.97Å; Y136-W148 AromaticContact CZ-NE1 3.76Å; Y136-W148 PolarHBondContact OH-NE1 2.86Å; Y136-W148 VanDerWaalsContact OH-NE1 3.12Å; E144-W148 WeakPolarHBondContact O-CB 3.43Å; E144-W148 PolarHBondContact O-N 3.44Å; I145-W148 WeakPolarHBondContact O-CB 3.36Å; I145-W148 PolarHBondContact O-N 3.38Å; Y146-W148 VanDerWaalsContact C-N 3.31Å; W148-D150 VanDerWaalsContact C-N 3.3Å; W148-D150 PolarHBondContact O-N 3.38Å; W148-N151 PolarHBondContact O-N 3.21Å; W148-F152 HydrophobicContact CD2-CB 4.31Å; W148-F152 HydrophobicContact CE3-CB 4.45Å; W148-F152 HydrophobicContact CH2-CB 4.16Å; W148-F152 AromaticContact CH2-CD1 3.72Å; W148-F152 HydrophobicContact CH2-CD1 3.72Å; W148-F152 AromaticContact CH2-CD2 3.89Å; W148-F152 HydrophobicContact CH2-CD2 3.89Å; W148-F152 HydrophobicContact CH2-CE1 4.02Å; W148-F152 HydrophobicContact CH2-CE2 4.19Å; W148-F152 AromaticContact CH2-CG 3.64Å; W148-F152 HydrophobicContact CH2-CG 3.64Å; W148-F152 HydrophobicContact CH2-CZ 4.24Å; W148-F152 HydrophobicContact CZ2-CB 4.05Å; W148-F152 HydrophobicContact CZ2-CD1 4.15Å; W148-F152 AromaticContact CZ2-CD2 3.43Å; W148-F152 HydrophobicContact CZ2-CD2 3.43Å; W148-F152 VanDerWaalsContact CZ2-CD2 3.43Å; W148-F152 HydrophobicContact CZ2-CE1 4.48Å; W148-F152 AromaticContact CZ2-CE2 3.83Å; W148-F152 HydrophobicContact CZ2-CE2 3.83Å; W148-F152 AromaticContact CZ2-CG 3.61Å; W148-F152 HydrophobicContact CZ2-CG 3.61Å; W148-F152 HydrophobicContact CZ2-CZ 4.33Å; W148-F152 HydrophobicContact CZ3-CB 4.36Å; W148-F152 HydrophobicContact CZ3-CD1 4.26Å; W148-F152 HydrophobicContact CZ3-CG 4.25Å; W148-F152 WeakPolarHBondContact O-CB 3.49Å; W148-F152 PolarHBondContact O-N 2.91Å; W148-L177 HydrophobicContact CH2-CD1 4.34Å; W148-L177 HydrophobicContact CZ3-CD1 4.01Å; W148-I207 HydrophobicContact CD2-CG2 3.95Å; W148-I207 HydrophobicContact CE3-CG2 4.09Å; W148-I207 HydrophobicContact CH2-CG2 4.05Å; W148-I207 HydrophobicContact CZ2-CG2 3.86Å; W148-I207 HydrophobicContact CZ3-CG2 4.15Å; W148-A210 HydrophobicContact CH2-CB 3.71Å; W148-A210 HydrophobicContact CZ3-CB 4.42Å; W148-L236 HydrophobicContact CE3-CD1 4.16Å; W148-L236 HydrophobicContact CZ3-CD1 3.57Å
149	I	98.8	Very high	98	Very high	4 Å²	4	49.9 Å²	49.9	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-55.7	-46.1	175.6	-73.3	169.5	0	0	0	110.8	I145 Y146 F152 V153 K162 L175 L177 L236	I145-I149 HydrophobicContact CG2-CD1 4.2Å; I145-I149 WeakPolarHBondContact O-CG1 3.33Å; I145-I149 PolarHBondContact O-N 2.94Å; Y146-I149 HydrophobicContact CD1-CD1 4.22Å; Y146-I149 WeakPolarHBondContact O-CB 3.37Å; Y146-I149 PolarHBondContact O-N 3.31Å; I149-F152 PolarHBondContact O-N 3.22Å; I149-V153 WeakPolarHBondContact O-CB 3.46Å; I149-V153 WeakPolarHBondContact O-CG2 3.3Å; I149-V153 PolarHBondContact O-N 3.08Å; I149-K162 HydrophobicContact CG2-CB 4.45Å; I149-K162 HydrophobicContact CG2-CD 3.46Å; I149-K162 VanDerWaalsContact CG2-CD 3.46Å; I149-K162 HydrophobicContact CG2-CG 3.93Å; I149-L175 HydrophobicContact CD1-CB 4.37Å; I149-L175 HydrophobicContact CD1-CD1 4.31Å; I149-L177 HydrophobicContact CG2-CD2 3.94Å; I149-L236 HydrophobicContact CD1-CD1 4.08Å; I149-L236 HydrophobicContact CG1-CD1 3.93Å
150	D	98.4	Very high	98	Very high	71 Å²	71	49.7 Å²	49.7	38%	0.38	27%	0.268	S	S	.	.	H	α-helix	trans	-63.9	-45.4	-178.7	-73.9	-21.9	0	0	0	112.3	Y146 S147 W148 T154 K162	Y146-D150 PolarHBondContact O-N 2.97Å; Y146-D150 VanDerWaalsContact O-N 3.12Å; S147-D150 PolarHBondContact O-N 3.3Å; W148-D150 VanDerWaalsContact C-N 3.3Å; W148-D150 PolarHBondContact O-N 3.38Å; D150-T154 WeakPolarHBondContact O-CB 3.29Å; D150-T154 PolarHBondContact O-N 2.93Å; D150-T154 VanDerWaalsContact O-N 3.14Å; D150-T154 PolarHBondContact O-OG1 3.37Å; D150-K162 IonicContact OD1-NZ 3.42Å; D150-K162 PolarHBondContact OD1-NZ 3.33Å
151	N	97.8	Very high	98	Very high	95 Å²	95	51.7 Å²	51.7	51%	0.508	28%	0.283	S	S	.	.	H	α-helix	trans	-66.1	-45.8	176.9	-67.4	-21.4	0	0	0	111.2	S147 W148 V153 T154 E155	S147-N151 PolarHBondContact O-N 3.37Å; S147-N151 VanDerWaalsContact O-N 3.1Å; S147-N151 PolarHBondContact O-ND2 3.3Å; W148-N151 PolarHBondContact O-N 3.21Å; N151-V153 VanDerWaalsContact C-N 3.33Å; N151-V153 PolarHBondContact O-N 2.76Å; N151-T154 WeakPolarHBondContact O-CB 3.44Å; N151-T154 PolarHBondContact O-N 3.1Å; N151-T154 VanDerWaalsContact O-N 3.08Å; N151-E155 WeakPolarHBondContact O-CG 3.48Å; N151-E155 PolarHBondContact O-N 3.12Å
152	F	98.1	Very high	98	Very high	3 Å²	3	54.7 Å²	54.7	1%	0.013	29%	0.294	C	S	.	.	H	α-helix	trans	-60.2	-41.4	-178.4	-173.6	-107.1	0	0	0	112.3	W148 I149 E155 H156 V160 L177 F179 A210 N211 V214	W148-F152 HydrophobicContact CD2-CB 4.31Å; W148-F152 HydrophobicContact CE3-CB 4.45Å; W148-F152 HydrophobicContact CH2-CB 4.16Å; W148-F152 AromaticContact CH2-CD1 3.72Å; W148-F152 HydrophobicContact CH2-CD1 3.72Å; W148-F152 AromaticContact CH2-CD2 3.89Å; W148-F152 HydrophobicContact CH2-CD2 3.89Å; W148-F152 HydrophobicContact CH2-CE1 4.02Å; W148-F152 HydrophobicContact CH2-CE2 4.19Å; W148-F152 AromaticContact CH2-CG 3.64Å; W148-F152 HydrophobicContact CH2-CG 3.64Å; W148-F152 HydrophobicContact CH2-CZ 4.24Å; W148-F152 HydrophobicContact CZ2-CB 4.05Å; W148-F152 HydrophobicContact CZ2-CD1 4.15Å; W148-F152 AromaticContact CZ2-CD2 3.43Å; W148-F152 HydrophobicContact CZ2-CD2 3.43Å; W148-F152 VanDerWaalsContact CZ2-CD2 3.43Å; W148-F152 HydrophobicContact CZ2-CE1 4.48Å; W148-F152 AromaticContact CZ2-CE2 3.83Å; W148-F152 HydrophobicContact CZ2-CE2 3.83Å; W148-F152 AromaticContact CZ2-CG 3.61Å; W148-F152 HydrophobicContact CZ2-CG 3.61Å; W148-F152 HydrophobicContact CZ2-CZ 4.33Å; W148-F152 HydrophobicContact CZ3-CB 4.36Å; W148-F152 HydrophobicContact CZ3-CD1 4.26Å; W148-F152 HydrophobicContact CZ3-CG 4.25Å; W148-F152 WeakPolarHBondContact O-CB 3.49Å; W148-F152 PolarHBondContact O-N 2.91Å; I149-F152 PolarHBondContact O-N 3.22Å; F152-E155 PolarHBondContact O-N 2.79Å; F152-H156 AromaticContact CD2-CD2 3.52Å; F152-H156 AromaticContact CD2-NE2 3.97Å; F152-H156 AromaticContact CE2-CD2 3.4Å; F152-H156 WeakPolarHBondContact CE2-CD2 3.22Å; F152-H156 AromaticContact CE2-NE2 3.77Å; F152-H156 AromaticContact CZ-CD2 3.92Å; F152-H156 WeakPolarHBondContact O-CB 3.35Å; F152-H156 PolarHBondContact O-CD2 2.59Å; F152-H156 VanDerWaalsContact O-CD2 3.3Å; F152-H156 PolarHBondContact O-N 2.95Å; F152-V160 HydrophobicContact CD1-CG1 4.19Å; F152-V160 HydrophobicContact CE1-CG1 4.1Å; F152-V160 HydrophobicContact CE1-CG2 4.04Å; F152-L177 HydrophobicContact CD1-CD1 4.2Å; F152-L177 HydrophobicContact CE1-CD1 4.31Å; F152-F179 AromaticContact CE1-CE1 3.92Å; F152-F179 HydrophobicContact CE1-CE1 3.92Å; F152-F179 HydrophobicContact CE1-CZ 4.1Å; F152-F179 HydrophobicContact CZ-CE1 4.34Å; F152-A210 HydrophobicContact CE1-CB 4.27Å; F152-A210 HydrophobicContact CZ-CB 4.44Å; F152-A210 WeakPolarHBondContact CZ-O 3.48Å; F152-N211 HydrophobicContact CE2-CB 4.3Å; F152-V214 HydrophobicContact CE1-CG2 4.04Å; F152-V214 HydrophobicContact CE2-CG2 4.24Å; F152-V214 HydrophobicContact CZ-CB 4.14Å; F152-V214 HydrophobicContact CZ-CG2 3.43Å; F152-V214 VanDerWaalsContact CZ-CG2 3.43Å
153	V	98.4	Very high	98	Very high	27 Å²	27	56.7 Å²	56.7	16%	0.164	31%	0.305	C	S	.	.	H	α-helix	trans	-69.1	-36.8	175.5	170.7	0	0	0	0	111.6	I149 N151 H156 S157 V160 K162 L177	I149-V153 WeakPolarHBondContact O-CB 3.46Å; I149-V153 WeakPolarHBondContact O-CG2 3.3Å; I149-V153 PolarHBondContact O-N 3.08Å; N151-V153 VanDerWaalsContact C-N 3.33Å; N151-V153 PolarHBondContact O-N 2.76Å; V153-H156 CarbonylContact O-C 3.56Å; V153-S157 VanDerWaalsContact O-CA 3.25Å; V153-S157 WeakPolarHBondContact O-CA 3.44Å; V153-S157 WeakPolarHBondContact O-CB 3.28Å; V153-S157 PolarHBondContact O-N 2.92Å; V153-V160 HydrophobicContact CG2-CG1 3.97Å; V153-K162 HydrophobicContact CG2-CB 4.03Å; V153-L177 HydrophobicContact CG2-CD2 3.65Å
154	T	97.8	Very high	98	Very high	107 Å²	107	56 Å²	56	66%	0.656	30%	0.302	S	S	*	.	H	α-helix	trans	-65.1	-43.3	176.4	-58.2	0	0	0	0	111.1	D150 N151 H156	D150-T154 WeakPolarHBondContact O-CB 3.29Å; D150-T154 PolarHBondContact O-N 2.93Å; D150-T154 VanDerWaalsContact O-N 3.14Å; D150-T154 PolarHBondContact O-OG1 3.37Å; N151-T154 WeakPolarHBondContact O-CB 3.44Å; N151-T154 PolarHBondContact O-N 3.1Å; N151-T154 VanDerWaalsContact O-N 3.08Å; T154-H156 VanDerWaalsContact C-N 3.35Å
155	E	97.6	Very high	98	Very high	140 Å²	140	55 Å²	55	65%	0.654	30%	0.298	S	S	*	.	H	α-helix	trans	-71.5	-26.6	-179.4	-71.1	174.7	-173.3	0	0	113.3	N151 F152	N151-E155 WeakPolarHBondContact O-CG 3.48Å; N151-E155 PolarHBondContact O-N 3.12Å; F152-E155 PolarHBondContact O-N 2.79Å
156	H	97.8	Very high	98	Very high	44 Å²	44	55.9 Å²	55.9	20%	0.204	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.9	35.2	-174.3	-54.5	-53.2	0	0	0	113.2	F152 V153 T154 D158 I159 V160 V214	F152-H156 AromaticContact CD2-CD2 3.52Å; F152-H156 AromaticContact CD2-NE2 3.97Å; F152-H156 AromaticContact CE2-CD2 3.4Å; F152-H156 WeakPolarHBondContact CE2-CD2 3.22Å; F152-H156 AromaticContact CE2-NE2 3.77Å; F152-H156 AromaticContact CZ-CD2 3.92Å; F152-H156 WeakPolarHBondContact O-CB 3.35Å; F152-H156 PolarHBondContact O-CD2 2.59Å; F152-H156 VanDerWaalsContact O-CD2 3.3Å; F152-H156 PolarHBondContact O-N 2.95Å; V153-H156 CarbonylContact O-C 3.56Å; T154-H156 VanDerWaalsContact C-N 3.35Å; H156-D158 VanDerWaalsContact C-OD1 3.31Å; H156-D158 PolarHBondContact O-N 3.48Å; H156-I159 PolarHBondContact O-N 3.34Å; H156-I159 VanDerWaalsContact O-N 3.13Å; H156-V160 HydrophobicContact CB-CB 4.31Å; H156-V160 HydrophobicContact CB-CG2 3.8Å; H156-V160 PolarHBondContact O-N 3.17Å; H156-V214 HydrophobicContact CB-CG1 4.1Å; H156-V214 HydrophobicContact CB-CG2 4.31Å; H156-V214 VanDerWaalsContact CG-CG1 3.47Å; H156-V214 WeakPolarHBondContact ND1-CG1 3.4Å
157	S	96.8	Very high	98	Very high	93 Å²	93	56.9 Å²	56.9	65%	0.65	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-12.7	-174.7	64.2	0	0	0	0	115.2	V153	V153-S157 VanDerWaalsContact O-CA 3.25Å; V153-S157 WeakPolarHBondContact O-CA 3.44Å; V153-S157 WeakPolarHBondContact O-CB 3.28Å; V153-S157 PolarHBondContact O-N 2.92Å
158	D	94.8	Very high	98	Very high	121 Å²	121	54 Å²	54	65%	0.647	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-27.2	176.5	61.6	-53	0	0	0	113.2	H156	H156-D158 VanDerWaalsContact C-OD1 3.31Å; H156-D158 PolarHBondContact O-N 3.48Å
159	I	96.5	Very high	98	Very high	15 Å²	15	57.2 Å²	57.2	8%	0.077	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133	-13.9	-178	60.5	172.8	0	0	0	114.2	H156 F179 S180 V214 Y217	H156-I159 PolarHBondContact O-N 3.34Å; H156-I159 VanDerWaalsContact O-N 3.13Å; I159-F179 CarbonylContact O-C 3.52Å; I159-F179 VanDerWaalsContact O-CA 3.27Å; I159-F179 WeakPolarHBondContact O-CA 3.32Å; I159-S180 WeakPolarHBondContact CA-O 3.31Å; I159-S180 PolarHBondContact O-N 2.81Å; I159-V214 HydrophobicContact CD1-CB 4.32Å; I159-V214 HydrophobicContact CD1-CG1 4.14Å; I159-V214 HydrophobicContact CD1-CG2 4.02Å; I159-V214 HydrophobicContact CG1-CG2 4.49Å; I159-Y217 HydrophobicContact CD1-CD1 3.77Å; I159-Y217 HydrophobicContact CD1-CG 4.24Å; I159-Y217 HydrophobicContact CG2-CD1 4.11Å; I159-Y217 HydrophobicContact CG2-CE1 3.81Å
160	V	98.4	Very high	98	Very high	4 Å²	4	61.3 Å²	61.3	2%	0.024	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	135.3	-179	-165.8	0	0	0	0	111.1	F152 V153 H156 L177 K178 F179 V214	F152-V160 HydrophobicContact CD1-CG1 4.19Å; F152-V160 HydrophobicContact CE1-CG1 4.1Å; F152-V160 HydrophobicContact CE1-CG2 4.04Å; V153-V160 HydrophobicContact CG2-CG1 3.97Å; H156-V160 HydrophobicContact CB-CB 4.31Å; H156-V160 HydrophobicContact CB-CG2 3.8Å; H156-V160 PolarHBondContact O-N 3.17Å; V160-L177 HydrophobicContact CG1-CB 4.5Å; V160-L177 HydrophobicContact CG1-CD2 3.94Å; V160-K178 CarbonylContact C-O 3.55Å; V160-K178 WeakPolarHBondContact CA-O 3.15Å; V160-F179 HydrophobicContact CG1-CD1 4.46Å; V160-F179 HydrophobicContact CG1-CE1 4.18Å; V160-F179 HydrophobicContact CG1-CZ 4.43Å; V160-F179 HydrophobicContact CG2-CD1 3.7Å; V160-F179 HydrophobicContact CG2-CE1 3.7Å; V160-V214 HydrophobicContact CG2-CG2 3.58Å
161	S	98.4	Very high	98.1	Very high	50 Å²	50	63.6 Å²	63.6	35%	0.35	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	155	168.8	57.7	0	0	0	0	111.1	L177 K178	S161-L177 WeakPolarHBondContact O-CA 3.2Å; S161-K178 PolarHBondContact N-O 3.01Å; S161-K178 PolarHBondContact O-N 2.88Å
162	K	98.4	Very high	98.1	Very high	85 Å²	85	62.6 Å²	62.6	37%	0.37	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	132.5	175	-175.7	-179.1	75.8	178.6	0	110.4	I149 D150 V153 L175	I149-K162 HydrophobicContact CG2-CB 4.45Å; I149-K162 HydrophobicContact CG2-CD 3.46Å; I149-K162 VanDerWaalsContact CG2-CD 3.46Å; I149-K162 HydrophobicContact CG2-CG 3.93Å; D150-K162 IonicContact OD1-NZ 3.42Å; D150-K162 PolarHBondContact OD1-NZ 3.33Å; V153-K162 HydrophobicContact CG2-CB 4.03Å; K162-L175 HydrophobicContact CD-CD1 4.16Å; K162-L175 HydrophobicContact CD-CD2 4.02Å; K162-L175 HydrophobicContact CG-CD2 4.2Å
163	I	98.6	Very high	98.1	Very high	48 Å²	48	64.2 Å²	64.2	25%	0.246	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	129.3	176.4	-54.7	174.1	0	0	0	108.2	I165 L175 V176 K178 F233 F309	I163-I165 HydrophobicContact CG2-CG2 3.98Å; I163-L175 WeakPolarHBondContact O-CA 3.05Å; I163-V176 PolarHBondContact N-O 2.93Å; I163-V176 PolarHBondContact O-N 3.29Å; I163-K178 HydrophobicContact CD1-CB 3.83Å; I163-K178 HydrophobicContact CD1-CD 4.09Å; I163-K178 HydrophobicContact CG1-CB 4.43Å; I163-F233 HydrophobicContact CD1-CD1 4.36Å; I163-F233 HydrophobicContact CD1-CE1 3.79Å; I163-F309 HydrophobicContact CD1-CE2 4.41Å; I163-F309 HydrophobicContact CD1-CZ 4.34Å; I163-F309 HydrophobicContact CG2-CE2 4.17Å
164	Q	98.8	Very high	98.2	Very high	98 Å²	98	62.9 Å²	62.9	46%	0.458	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	118.1	166.3	-178.3	175	-17.1	0	0	108.7	G166 N167 S173 I174 L175	Q164-G166 WeakPolarHBondContact CG-O 3.09Å; Q164-G166 PolarHBondContact NE2-O 3.32Å; Q164-N167 PolarHBondContact NE2-OD1 3.14Å; Q164-N167 VanDerWaalsContact NE2-OD1 3.13Å; Q164-S173 PolarHBondContact NE2-OG 2.82Å; Q164-S173 PolarHBondContact OE1-OG 2.87Å; Q164-I174 WeakPolarHBondContact CA-O 3.22Å; Q164-L175 HydrophobicContact CB-CD2 4.08Å; Q164-L175 HydrophobicContact CG-CD2 4.4Å
165	I	98.8	Very high	98.2	Very high	28 Å²	28	58.4 Å²	58.4	14%	0.144	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-10.9	-177.3	63.1	164.2	0	0	0	113.2	I163 I174 V176 W190 A305 I306 F309	I163-I165 HydrophobicContact CG2-CG2 3.98Å; I165-I174 HydrophobicContact CD1-CG2 3.81Å; I165-I174 HydrophobicContact CG1-CB 4.04Å; I165-I174 HydrophobicContact CG1-CG2 3.57Å; I165-I174 PolarHBondContact N-O 2.86Å; I165-V176 HydrophobicContact CB-CG2 4.48Å; I165-V176 HydrophobicContact CD1-CG2 3.78Å; I165-V176 HydrophobicContact CG1-CG2 3.99Å; I165-V176 HydrophobicContact CG2-CB 4.3Å; I165-V176 HydrophobicContact CG2-CG2 3.68Å; I165-W190 HydrophobicContact CD1-CH2 4.05Å; I165-A305 HydrophobicContact CD1-CB 4.13Å; I165-A305 HydrophobicContact CG1-CB 4.13Å; I165-I306 HydrophobicContact CD1-CG1 4.03Å; I165-F309 HydrophobicContact CB-CB 4.25Å; I165-F309 HydrophobicContact CB-CD2 4.27Å; I165-F309 HydrophobicContact CB-CG 4.37Å; I165-F309 HydrophobicContact CG2-CB 4.14Å; I165-F309 HydrophobicContact CG2-CD1 4.37Å; I165-F309 HydrophobicContact CG2-CD2 3.4Å; I165-F309 HydrophobicContact CG2-CE2 3.82Å; I165-F309 HydrophobicContact CG2-CG 3.71Å; I165-F309 HydrophobicContact CG2-CZ 4.45Å
166	G	98.7	Very high	98.3	Very high	19 Å²	19	51.8 Å²	51.8	20%	0.196	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.5	-161.6	178.7	0	0	0	0	0	112.3	Q164 I174	Q164-G166 WeakPolarHBondContact CG-O 3.09Å; Q164-G166 PolarHBondContact NE2-O 3.32Å; G166-I174 PolarHBondContact O-N 2.81Å
167	N	98.8	Very high	98.3	Very high	61 Å²	61	49.8 Å²	49.8	33%	0.326	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	144.9	174	-70.8	79.2	0	0	0	108.9	Q164 N171 R172	Q164-N167 PolarHBondContact NE2-OD1 3.14Å; Q164-N167 VanDerWaalsContact NE2-OD1 3.13Å; N167-N171 PolarHBondContact ND2-O 2.98Å; N167-N171 PolarHBondContact ND2-OD1 3.38Å; N167-R172 CarbonylContact C-O 3.56Å; N167-R172 VanDerWaalsContact CA-O 3.24Å; N167-R172 WeakPolarHBondContact CA-O 3.41Å
168	S	98.8	Very high	98.4	Very high	6 Å²	6	47.5 Å²	47.5	4%	0.042	24%	0.244	C	C	.	.			trans	-70.3	176.4	172.2	67.1	0	0	0	0	111.9	E170 N171 R172 D241 E302	S168-E170 VanDerWaalsContact C-N 3.34Å; S168-E170 PolarHBondContact O-N 2.55Å; S168-N171 WeakPolarHBondContact O-CA 3.45Å; S168-N171 PolarHBondContact O-N 3.44Å; S168-R172 PolarHBondContact N-O 3.5Å; S168-R172 WeakPolarHBondContact OG-CB 3.39Å; S168-R172 PolarHBondContact OG-N 3.45Å; S168-R172 PolarHBondContact OG-O 3.49Å; S168-D241 VanDerWaalsContact CB-CG 3.49Å; S168-D241 VanDerWaalsContact CB-OD1 3.3Å; S168-D241 WeakPolarHBondContact CB-OD1 3.39Å; S168-D241 VanDerWaalsContact CB-OD2 3.27Å; S168-D241 WeakPolarHBondContact CB-OD2 3.22Å; S168-D241 PolarHBondContact OG-OD1 3.36Å; S168-D241 PolarHBondContact OG-OD2 3.48Å; S168-D241 VanDerWaalsContact OG-OD2 3.11Å; S168-E302 WeakPolarHBondContact CA-OE1 3.37Å; S168-E302 WeakPolarHBondContact CB-OE1 3.26Å
169	F	98.7	Very high	98.6	Very high	83 Å²	83	41.8 Å²	41.8	36%	0.364	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-43.5	177.7	-177.1	-89.3	0	0	0	113.3	N171 D241 I259 P301 E302	F169-N171 PolarHBondContact O-N 3.42Å; F169-D241 PolarHBondContact N-OD2 3.41Å; F169-D241 VanDerWaalsContact N-OD2 3.16Å; F169-I259 HydrophobicContact CE1-CB 4.48Å; F169-I259 HydrophobicContact CE1-CG1 3.69Å; F169-I259 HydrophobicContact CZ-CB 4.34Å; F169-I259 HydrophobicContact CZ-CG1 3.48Å; F169-I259 VanDerWaalsContact CZ-CG1 3.48Å; F169-I259 VanDerWaalsContact CZ-N 3.29Å; F169-P301 HydrophobicContact CB-CG 4.1Å; F169-E302 PolarHBondContact N-OE1 3.07Å
170	E	98.6	Very high	98.6	Very high	90 Å²	90	41.8 Å²	41.8	42%	0.421	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	19.3	175.4	-58.6	-176.3	165.3	0	0	112.5	S168 R172 D241 K257	S168-E170 VanDerWaalsContact C-N 3.34Å; S168-E170 PolarHBondContact O-N 2.55Å; E170-R172 PolarHBondContact O-N 3.26Å; E170-R172 IonicContact OE2-CZ 2.55Å; E170-R172 IonicContact OE2-NH1 3.22Å; E170-R172 PolarHBondContact OE2-NH1 2.81Å; E170-R172 IonicContact OE2-NH2 3.5Å; E170-R172 PolarHBondContact OE2-NH2 2.88Å; E170-D241 WeakPolarHBondContact CB-OD2 3.01Å; E170-D241 HydrophobicContact CG-CB 4.32Å; E170-D241 PolarHBondContact N-OD2 3.18Å; E170-K257 HydrophobicContact CG-CB 4.21Å; E170-K257 WeakPolarHBondContact OE1-CB 3.45Å
171	N	98.6	Very high	98.5	Very high	119 Å²	119	44.1 Å²	44.1	64%	0.636	23%	0.228	S	C	*	.			trans	66.4	27.1	172.7	-163.7	43.9	0	0	0	115.6	N167 S168 F169	N167-N171 PolarHBondContact ND2-O 2.98Å; N167-N171 PolarHBondContact ND2-OD1 3.38Å; S168-N171 WeakPolarHBondContact O-CA 3.45Å; S168-N171 PolarHBondContact O-N 3.44Å; F169-N171 PolarHBondContact O-N 3.42Å
172	R	98.8	Very high	97.8	Very high	73 Å²	73	43.5 Å²	43.5	28%	0.275	23%	0.23	S	C	.	.			trans	-81	140.7	170.4	-58.4	-171.1	177.3	74.3	2.7	110	L142 N167 S168 E170 I174 P240 D241	L142-R172 VanDerWaalsContact CD2-CD 3.42Å; N167-R172 CarbonylContact C-O 3.56Å; N167-R172 VanDerWaalsContact CA-O 3.24Å; N167-R172 WeakPolarHBondContact CA-O 3.41Å; S168-R172 PolarHBondContact N-O 3.5Å; S168-R172 WeakPolarHBondContact OG-CB 3.39Å; S168-R172 PolarHBondContact OG-N 3.45Å; S168-R172 PolarHBondContact OG-O 3.49Å; E170-R172 PolarHBondContact O-N 3.26Å; E170-R172 IonicContact OE2-CZ 2.55Å; E170-R172 IonicContact OE2-NH1 3.22Å; E170-R172 PolarHBondContact OE2-NH1 2.81Å; E170-R172 IonicContact OE2-NH2 3.5Å; E170-R172 PolarHBondContact OE2-NH2 2.88Å; R172-I174 PolarHBondContact O-N 3.4Å; R172-P240 HydrophobicContact CB-CB 4.35Å; R172-P240 HydrophobicContact CB-CG 4.36Å; R172-D241 IonicContact CZ-OD1 3.76Å; R172-D241 IonicContact NH1-OD1 3.72Å; R172-D241 PolarHBondContact NH1-OD1 2.94Å
173	S	98.8	Very high	96.6	Very high	37 Å²	37	42.1 Å²	42.1	26%	0.259	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	134.8	176.1	-62.8	0	0	0	0	110.7	Y146 Q164	Y146-S173 PolarHBondContact OH-O 2.93Å; Q164-S173 PolarHBondContact NE2-OG 2.82Å; Q164-S173 PolarHBondContact OE1-OG 2.87Å
174	I	98.9	Very high	95.5	Very high	0 Å²	0	45 Å²	45	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	114.1	170.9	-59	172.3	0	0	0	107.4	Q164 I165 G166 R172 E235 P240 E302 A305	Q164-I174 WeakPolarHBondContact CA-O 3.22Å; I165-I174 HydrophobicContact CD1-CG2 3.81Å; I165-I174 HydrophobicContact CG1-CB 4.04Å; I165-I174 HydrophobicContact CG1-CG2 3.57Å; I165-I174 PolarHBondContact N-O 2.86Å; G166-I174 PolarHBondContact O-N 2.81Å; R172-I174 PolarHBondContact O-N 3.4Å; I174-E235 WeakPolarHBondContact CG2-OE1 3.28Å; I174-P240 HydrophobicContact CG1-CG 4.47Å; I174-E302 HydrophobicContact CD1-CB 4.29Å; I174-E302 HydrophobicContact CD1-CG 4.21Å; I174-A305 HydrophobicContact CD1-CB 3.97Å
175	L	98.9	Very high	94.4	Very high	13 Å²	13	49.9 Å²	49.9	7%	0.068	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	133.6	-166.3	-59.1	176	0	0	0	111.4	Y146 I149 K162 I163 Q164	Y146-L175 HydrophobicContact CD1-CD1 4.05Å; Y146-L175 HydrophobicContact CD2-CD1 3.9Å; Y146-L175 HydrophobicContact CE1-CD1 4.06Å; Y146-L175 HydrophobicContact CE2-CD1 3.89Å; Y146-L175 HydrophobicContact CG-CD1 3.97Å; I149-L175 HydrophobicContact CD1-CB 4.37Å; I149-L175 HydrophobicContact CD1-CD1 4.31Å; K162-L175 HydrophobicContact CD-CD1 4.16Å; K162-L175 HydrophobicContact CD-CD2 4.02Å; K162-L175 HydrophobicContact CG-CD2 4.2Å; I163-L175 WeakPolarHBondContact O-CA 3.05Å; Q164-L175 HydrophobicContact CB-CD2 4.08Å; Q164-L175 HydrophobicContact CG-CD2 4.4Å
176	V	98.9	Very high	94.1	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.006	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	131.5	177.6	-179.8	0	0	0	0	109.1	I163 I165 W190 F233 E235	I163-V176 PolarHBondContact N-O 2.93Å; I163-V176 PolarHBondContact O-N 3.29Å; I165-V176 HydrophobicContact CB-CG2 4.48Å; I165-V176 HydrophobicContact CD1-CG2 3.78Å; I165-V176 HydrophobicContact CG1-CG2 3.99Å; I165-V176 HydrophobicContact CG2-CB 4.3Å; I165-V176 HydrophobicContact CG2-CG2 3.68Å; V176-W190 HydrophobicContact CG1-CH2 4.45Å; V176-W190 HydrophobicContact CG1-CZ3 4.06Å; V176-W190 HydrophobicContact CG2-CH2 3.72Å; V176-W190 HydrophobicContact CG2-CZ3 4.03Å; V176-F233 HydrophobicContact CG1-CB 3.87Å; V176-F233 HydrophobicContact CG1-CD1 3.93Å; V176-F233 HydrophobicContact CG1-CG 4.41Å; V176-E235 HydrophobicContact CG2-CB 4.17Å; V176-E235 HydrophobicContact CG2-CG 4.28Å
177	L	98.9	Very high	94	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.01	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	126.7	167.2	-68.4	177.4	0	0	0	109.2	W148 I149 F152 V153 V160 S161 F179 A210 F233 I234 L236	W148-L177 HydrophobicContact CH2-CD1 4.34Å; W148-L177 HydrophobicContact CZ3-CD1 4.01Å; I149-L177 HydrophobicContact CG2-CD2 3.94Å; F152-L177 HydrophobicContact CD1-CD1 4.2Å; F152-L177 HydrophobicContact CE1-CD1 4.31Å; V153-L177 HydrophobicContact CG2-CD2 3.65Å; V160-L177 HydrophobicContact CG1-CB 4.5Å; V160-L177 HydrophobicContact CG1-CD2 3.94Å; S161-L177 WeakPolarHBondContact O-CA 3.2Å; L177-F179 HydrophobicContact CB-CD2 4.49Å; L177-F179 HydrophobicContact CB-CE2 3.68Å; L177-F179 HydrophobicContact CB-CZ 4.08Å; L177-F179 HydrophobicContact CD1-CE2 4.39Å; L177-F179 HydrophobicContact CD1-CZ 4.06Å; L177-A210 HydrophobicContact CD1-CB 3.92Å; L177-F233 CarbonylContact O-C 3.55Å; L177-F233 VanDerWaalsContact O-CA 3.3Å; L177-F233 WeakPolarHBondContact O-CA 3.25Å; L177-I234 PolarHBondContact N-O 3.39Å; L177-I234 PolarHBondContact O-N 3.08Å; L177-L236 HydrophobicContact CD1-CD1 3.86Å; L177-L236 HydrophobicContact CD1-CG 4.5Å
178	K	98.6	Very high	93.9	Very high	45 Å²	45	48.3 Å²	48.3	20%	0.196	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	121.8	169.9	172.3	179.9	176.8	159.2	0	109	V160 S161 I163 D231 F233	V160-K178 CarbonylContact C-O 3.55Å; V160-K178 WeakPolarHBondContact CA-O 3.15Å; S161-K178 PolarHBondContact N-O 3.01Å; S161-K178 PolarHBondContact O-N 2.88Å; I163-K178 HydrophobicContact CD1-CB 3.83Å; I163-K178 HydrophobicContact CD1-CD 4.09Å; I163-K178 HydrophobicContact CG1-CB 4.43Å; K178-D231 WeakPolarHBondContact CE-OD2 3.33Å; K178-D231 IonicContact NZ-OD2 2.73Å; K178-D231 PolarHBondContact NZ-OD2 3.22Å; K178-F233 HydrophobicContact CB-CD1 3.88Å; K178-F233 HydrophobicContact CB-CE1 3.68Å; K178-F233 HydrophobicContact CD-CE1 3.68Å; K178-F233 HydrophobicContact CD-CZ 3.85Å; K178-F233 HydrophobicContact CG-CD1 4.19Å; K178-F233 HydrophobicContact CG-CE1 3.62Å; K178-F233 HydrophobicContact CG-CZ 3.98Å
179	F	98.6	Very high	93.9	Very high	1 Å²	1	48 Å²	48	0%	0.004	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	120.1	170.2	-56	-97.3	0	0	0	108.7	F152 I159 V160 L177 A210 I213 V214 L227 I232 I234	F152-F179 AromaticContact CE1-CE1 3.92Å; F152-F179 HydrophobicContact CE1-CE1 3.92Å; F152-F179 HydrophobicContact CE1-CZ 4.1Å; F152-F179 HydrophobicContact CZ-CE1 4.34Å; I159-F179 CarbonylContact O-C 3.52Å; I159-F179 VanDerWaalsContact O-CA 3.27Å; I159-F179 WeakPolarHBondContact O-CA 3.32Å; V160-F179 HydrophobicContact CG1-CD1 4.46Å; V160-F179 HydrophobicContact CG1-CE1 4.18Å; V160-F179 HydrophobicContact CG1-CZ 4.43Å; V160-F179 HydrophobicContact CG2-CD1 3.7Å; V160-F179 HydrophobicContact CG2-CE1 3.7Å; L177-F179 HydrophobicContact CB-CD2 4.49Å; L177-F179 HydrophobicContact CB-CE2 3.68Å; L177-F179 HydrophobicContact CB-CZ 4.08Å; L177-F179 HydrophobicContact CD1-CE2 4.39Å; L177-F179 HydrophobicContact CD1-CZ 4.06Å; F179-A210 HydrophobicContact CZ-CB 3.71Å; F179-I213 HydrophobicContact CB-CG2 4.32Å; F179-I213 HydrophobicContact CD1-CB 4.19Å; F179-I213 HydrophobicContact CD1-CG2 3.55Å; F179-I213 HydrophobicContact CD2-CD1 4.4Å; F179-I213 HydrophobicContact CE1-CB 4.2Å; F179-I213 HydrophobicContact CE1-CG2 4.07Å; F179-I213 HydrophobicContact CE2-CD1 4.39Å; F179-I213 HydrophobicContact CG-CG2 3.99Å; F179-V214 HydrophobicContact CD1-CG2 4.24Å; F179-V214 HydrophobicContact CE1-CG2 3.9Å; F179-L227 HydrophobicContact CB-CD2 3.82Å; F179-I232 HydrophobicContact CB-CB 4.23Å; F179-I232 HydrophobicContact CD2-CB 4.37Å; F179-I232 HydrophobicContact CD2-CG2 4.45Å; F179-I232 WeakPolarHBondContact CD2-O 2.97Å; F179-I232 PolarHBondContact N-O 3Å; F179-I232 PolarHBondContact O-N 2.83Å; F179-I234 HydrophobicContact CD2-CD1 4.37Å; F179-I234 HydrophobicContact CD2-CG1 4.25Å; F179-I234 HydrophobicContact CE2-CB 4.18Å; F179-I234 HydrophobicContact CE2-CD1 3.71Å; F179-I234 HydrophobicContact CE2-CG1 3.77Å; F179-I234 HydrophobicContact CZ-CD1 4.35Å
180	S	97.1	Very high	93.9	Very high	15 Å²	15	44 Å²	44	11%	0.105	25%	0.247	C	C	.	.			trans	-157.6	142.4	-173.1	-175.8	0	0	0	0	111.2	I159 G182 D231	I159-S180 WeakPolarHBondContact CA-O 3.31Å; I159-S180 PolarHBondContact O-N 2.81Å; S180-G182 VanDerWaalsContact C-N 3.32Å; S180-G182 PolarHBondContact OG-N 2.71Å; S180-D231 WeakPolarHBondContact CB-OD1 3.49Å; S180-D231 PolarHBondContact OG-OD1 3.02Å
181	T	95.1	Very high	94	Very high	52 Å²	52	39.9 Å²	39.9	32%	0.319	23%	0.227	S	C	.	.	S	Bend	trans	-96.8	17.7	172.7	67.3	0	0	0	0	112.3	Y217 L227	T181-Y217 HydrophobicContact CG2-CE1 4.37Å; T181-Y217 HydrophobicContact CG2-CE2 3.76Å; T181-Y217 WeakPolarHBondContact CG2-OH 3.3Å; T181-L227 HydrophobicContact CG2-CB 4.08Å; T181-L227 WeakPolarHBondContact CG2-O 3.27Å; T181-L227 PolarHBondContact OG1-O 3.48Å; T181-L227 VanDerWaalsContact OG1-O 3.09Å
182	G	84.6	Confident	94	Very high	37 Å²	37	34.2 Å²	34.2	38%	0.381	20%	0.197	S	C	.	.	S	Bend	trans	95	-171.4	-173.3	0	0	0	0	0	113.1	S180 H186	S180-G182 VanDerWaalsContact C-N 3.32Å; S180-G182 PolarHBondContact OG-N 2.71Å; G182-H186 PolarHBondContact O-CE1 3.02Å; G182-H186 PolarHBondContact O-ND1 3.11Å
183	G	74.2	Confident	94	Very high	56 Å²	56	30.8 Å²	30.8	58%	0.577	18%	0.184	S	C	*	.			trans	94.6	153.7	-172.8	0	0	0	0	0	113.2
184	S	75.4	Confident	94	Very high	109 Å²	109	29 Å²	29	76%	0.762	17%	0.172	S	C	*	.	S	Bend	trans	-102.1	122.9	178.5	-175.1	0	0	0	0	109.7	H186	S184-H186 PolarHBondContact O-N 3.12Å
185	R	74	Confident	94	Very high	200 Å²	200	29 Å²	29	76%	0.755	17%	0.172	S	C	*	.	S	Bend	trans	58.7	42.1	176.1	-57	-176.9	178.6	-164.7	-2.1	115	N315	R185-N315 PolarHBondContact O-ND2 2.88Å; R185-N315 VanDerWaalsContact O-ND2 3.09Å
186	H	93	Very high	94	Very high	41 Å²	41	28.6 Å²	28.6	19%	0.19	17%	0.17	C	C	.	.			trans	-51.9	145.6	166.9	-76.5	-177.1	0	0	0	110.9	G182 S184 D231 H313	G182-H186 PolarHBondContact O-CE1 3.02Å; G182-H186 PolarHBondContact O-ND1 3.11Å; S184-H186 PolarHBondContact O-N 3.12Å; H186-D231 IonicContact ND1-OD1 2.69Å; H186-H313 PolarHBondContact O-CE1 3.49Å
187	P	96.4	Very high	94	Very high	34 Å²	34	28.5 Å²	28.5	22%	0.221	17%	0.169	C	C	.	.			trans	-51.1	141.9	163	-22.7	33.2	0	0	0	110.1	M230 D231 N315 K317	P187-M230 HydrophobicContact CB-CE 3.95Å; P187-M230 HydrophobicContact CB-CG 4.49Å; P187-M230 CarbonylContact O-C 3.54Å; P187-M230 WeakPolarHBondContact O-CA 3.32Å; P187-M230 WeakPolarHBondContact O-CB 3.42Å; P187-D231 PolarHBondContact O-N 3.46Å; P187-N315 CarbonylContact C-O 3.34Å; P187-N315 WeakPolarHBondContact CA-O 3.27Å; P187-K317 HydrophobicContact CB-CG 3.73Å
188	A	97.8	Very high	94	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	150.5	-170	0	0	0	0	0	113.2	D231 F233 N315 F316 K317	A188-D231 CarbonylContact C-O 3.6Å; A188-D231 VanDerWaalsContact CA-O 3.26Å; A188-D231 WeakPolarHBondContact CA-O 3.29Å; A188-D231 HydrophobicContact CB-CB 4.46Å; A188-F233 HydrophobicContact CB-CD2 3.93Å; A188-F233 HydrophobicContact CB-CE2 3.68Å; A188-N315 PolarHBondContact N-O 3.49Å; A188-F316 HydrophobicContact CB-CD1 3.53Å; A188-F316 HydrophobicContact CB-CD2 4.41Å; A188-F316 HydrophobicContact CB-CE1 3.47Å; A188-F316 VanDerWaalsContact CB-CE1 3.47Å; A188-F316 HydrophobicContact CB-CE2 4.36Å; A188-F316 HydrophobicContact CB-CG 4.01Å; A188-F316 HydrophobicContact CB-CZ 3.9Å; A188-F316 CarbonylContact O-C 3.55Å; A188-F316 WeakPolarHBondContact O-CA 3.31Å; A188-K317 PolarHBondContact O-N 2.9Å
189	I	98.8	Very high	94	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	128	170.7	-65.5	153.9	0	0	0	107.5	I191 I226 M230 D231 I232 F233 A318 M428 T431	I189-I191 HydrophobicContact CG2-CD1 4.49Å; I189-I191 HydrophobicContact CG2-CG1 4.13Å; I189-I226 HydrophobicContact CD1-CG2 4.18Å; I189-M230 HydrophobicContact CD1-CE 3.83Å; I189-M230 HydrophobicContact CD1-SD 3.81Å; I189-M230 HydrophobicContact CG1-CE 3.7Å; I189-M230 HydrophobicContact CG1-SD 4.37Å; I189-D231 PolarHBondContact N-O 2.93Å; I189-I232 HydrophobicContact CD1-CG1 4.41Å; I189-F233 PolarHBondContact O-N 3Å; I189-A318 HydrophobicContact CG1-CB 4.14Å; I189-A318 HydrophobicContact CG2-CB 4.22Å; I189-M428 HydrophobicContact CD1-CB 3.95Å; I189-M428 HydrophobicContact CD1-CG 3.8Å; I189-M428 HydrophobicContact CD1-SD 4.26Å; I189-M428 HydrophobicContact CG2-CG 4.29Å; I189-T431 HydrophobicContact CG1-CG2 4.34Å
190	W	98.9	Very high	94	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	134.1	172.7	178.8	-84.4	0	0	0	110.3	I165 V176 D192 F233 E235 I306 F309 I310 F316 A318 L319 I320	I165-W190 HydrophobicContact CD1-CH2 4.05Å; V176-W190 HydrophobicContact CG1-CH2 4.45Å; V176-W190 HydrophobicContact CG1-CZ3 4.06Å; V176-W190 HydrophobicContact CG2-CH2 3.72Å; V176-W190 HydrophobicContact CG2-CZ3 4.03Å; W190-D192 HydrophobicContact CZ2-CB 4.36Å; W190-D192 PolarHBondContact NE1-OD2 2.8Å; W190-F233 HydrophobicContact CE3-CB 3.86Å; W190-F233 HydrophobicContact CZ3-CB 4.26Å; W190-E235 HydrophobicContact CH2-CB 4Å; W190-E235 HydrophobicContact CZ2-CB 3.76Å; W190-E235 HydrophobicContact CZ2-CG 4.48Å; W190-E235 WeakPolarHBondContact CZ2-OE2 3.21Å; W190-I306 HydrophobicContact CH2-CG1 4.3Å; W190-I306 HydrophobicContact CH2-CG2 4.18Å; W190-I306 HydrophobicContact CZ2-CB 4.39Å; W190-I306 HydrophobicContact CZ2-CD1 4.27Å; W190-I306 HydrophobicContact CZ2-CG1 3.93Å; W190-I306 HydrophobicContact CZ2-CG2 3.68Å; W190-F309 HydrophobicContact CE3-CD1 4.1Å; W190-F309 HydrophobicContact CE3-CE1 4.09Å; W190-F309 HydrophobicContact CH2-CD1 4.39Å; W190-F309 AromaticContact CZ3-CD1 3.51Å; W190-F309 HydrophobicContact CZ3-CD1 3.51Å; W190-F309 AromaticContact CZ3-CE1 3.64Å; W190-F309 HydrophobicContact CZ3-CE1 3.64Å; W190-I310 HydrophobicContact CD2-CD1 4.07Å; W190-I310 HydrophobicContact CD2-CG1 4.44Å; W190-I310 HydrophobicContact CE3-CD1 4.41Å; W190-I310 HydrophobicContact CE3-CG1 4.28Å; W190-I310 HydrophobicContact CG-CD1 4.15Å; W190-F316 HydrophobicContact CB-CD1 3.72Å; W190-F316 HydrophobicContact CB-CE1 3.62Å; W190-F316 HydrophobicContact CE3-CE1 4.19Å; W190-F316 HydrophobicContact CE3-CZ 4.08Å; W190-A318 PolarHBondContact N-O 3.47Å; W190-L319 HydrophobicContact CB-CB 4.43Å; W190-L319 HydrophobicContact CB-CD1 4.33Å; W190-L319 HydrophobicContact CB-CG 4.29Å; W190-L319 HydrophobicContact CG-CD1 4.08Å; W190-L319 HydrophobicContact CG-CG 4.25Å; W190-L319 CarbonylContact O-C 3.5Å; W190-L319 WeakPolarHBondContact O-CA 3.16Å; W190-I320 PolarHBondContact O-N 3.33Å
191	I	98.9	Very high	94.1	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.01	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	125.3	171	-53.1	177.1	0	0	0	108.1	I189 I232 F233 I234 E235 I320 I322	I189-I191 HydrophobicContact CG2-CD1 4.49Å; I189-I191 HydrophobicContact CG2-CG1 4.13Å; I191-I232 HydrophobicContact CD1-CG2 4.21Å; I191-F233 PolarHBondContact N-O 2.81Å; I191-I234 HydrophobicContact CB-CG1 4.25Å; I191-I234 HydrophobicContact CD1-CD1 4.43Å; I191-I234 HydrophobicContact CD1-CG1 4.45Å; I191-I234 CarbonylContact O-C 3.58Å; I191-I234 VanDerWaalsContact O-CA 3.27Å; I191-I234 WeakPolarHBondContact O-CA 3.38Å; I191-E235 PolarHBondContact O-N 3.17Å; I191-I320 VanDerWaalsContact CA-O 3.29Å; I191-I320 WeakPolarHBondContact CA-O 3.35Å; I191-I320 HydrophobicContact CG1-CB 4.38Å; I191-I320 HydrophobicContact CG1-CD1 4.41Å; I191-I322 HydrophobicContact CG2-CD1 3.78Å; I191-I322 HydrophobicContact CG2-CG1 4.37Å
192	D	98.9	Very high	94.3	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	147.9	172.8	60.5	89.2	0	0	0	112.2	W190 E235 T238 I320 S321 I322	W190-D192 HydrophobicContact CZ2-CB 4.36Å; W190-D192 PolarHBondContact NE1-OD2 2.8Å; D192-E235 HydrophobicContact CB-CB 4.22Å; D192-T238 WeakPolarHBondContact CB-OG1 3.29Å; D192-I320 PolarHBondContact N-O 3.39Å; D192-S321 WeakPolarHBondContact OD1-CA 3.12Å; D192-S321 VanDerWaalsContact OD1-CB 3.28Å; D192-S321 WeakPolarHBondContact OD1-CB 3.35Å; D192-S321 PolarHBondContact OD1-OG 3.32Å; D192-I322 PolarHBondContact O-N 2.98Å
193	T	98.9	Very high	95	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	145.3	175.5	64.2	0	0	0	0	110.4	T202 E235 L236 T238 I322	T193-T202 WeakPolarHBondContact CB-O 3.2Å; T193-T202 WeakPolarHBondContact CG2-O 3.4Å; T193-E235 PolarHBondContact N-O 2.74Å; T193-E235 PolarHBondContact OG1-O 2.86Å; T193-L236 VanDerWaalsContact OG1-C 3.28Å; T193-L236 WeakPolarHBondContact OG1-CA 3.42Å; T193-L236 PolarHBondContact OG1-O 2.91Å; T193-T238 PolarHBondContact O-N 3.05Å; T193-T238 VanDerWaalsContact O-N 3.16Å; T193-T238 PolarHBondContact O-OG1 2.83Å; T193-I322 HydrophobicContact CG2-CB 4.11Å; T193-I322 HydrophobicContact CG2-CD1 4.12Å; T193-I322 HydrophobicContact CG2-CG1 4.47Å
194	G	98.8	Very high	96.1	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.101	C	C	.	.			trans	78.9	24.6	166.4	0	0	0	0	0	115.3	H196 T202 H203 N239	G194-H196 PolarHBondContact O-N 2.9Å; G194-T202 WeakPolarHBondContact CA-OG1 3.25Å; G194-T202 PolarHBondContact N-OG1 2.98Å; G194-T202 VanDerWaalsContact N-OG1 3.08Å; G194-H203 WeakPolarHBondContact CA-CE1 3.45Å; G194-H203 VanDerWaalsContact CA-NE2 3.32Å; G194-H203 WeakPolarHBondContact CA-NE2 3.36Å; G194-N239 WeakPolarHBondContact O-CB 3.41Å; G194-N239 PolarHBondContact O-N 2.8Å
195	I	98.9	Very high	97.3	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.005	6%	0.064	C	C	.	.	S	Bend	trans	-58.5	-31.2	170.5	-170.5	166.9	0	0	0	111.5	T238 N239 L270 N271 W274 H323	I195-T238 HydrophobicContact CB-CG2 3.76Å; I195-T238 HydrophobicContact CD1-CG2 4.19Å; I195-T238 HydrophobicContact CG1-CG2 3.8Å; I195-N239 WeakPolarHBondContact O-CB 3.09Å; I195-N239 PolarHBondContact O-ND2 3.09Å; I195-L270 HydrophobicContact CD1-CB 3.93Å; I195-L270 HydrophobicContact CG1-CB 3.48Å; I195-L270 VanDerWaalsContact CG1-CB 3.48Å; I195-L270 HydrophobicContact CG1-CD1 4.12Å; I195-L270 HydrophobicContact CG1-CG 4.45Å; I195-N271 HydrophobicContact CD1-CB 4.36Å; I195-W274 HydrophobicContact CD1-CZ2 4.23Å; I195-H323 WeakPolarHBondContact CG2-CE1 3.44Å
196	H	98.9	Very high	98.5	Very high	3 Å²	3	5.3 Å²	5.3	1%	0.014	3%	0.029	C	C	.	.	S	Bend	trans	-99.9	126.5	161	-54.5	134.8	0	0	0	110.5	G194 R198 E199 R254 D269 N271 H323	G194-H196 PolarHBondContact O-N 2.9Å; H196-R198 PolarHBondContact O-N 2.88Å; H196-E199 HydrophobicContact CB-CG 3.99Å; H196-E199 VanDerWaalsContact CB-OE1 3.24Å; H196-E199 WeakPolarHBondContact CB-OE1 3.33Å; H196-E199 IonicContact CE1-OE1 3Å; H196-E199 IonicContact CG-OE1 3.6Å; H196-E199 IonicContact ND1-OE1 3.31Å; H196-E199 PolarHBondContact ND1-OE1 2.82Å; H196-E199 IonicContact ND1-OE2 3.28Å; H196-E199 PolarHBondContact O-N 2.96Å; H196-R254 WeakPolarHBondContact CA-O 3.32Å; H196-R254 HydrophobicContact CB-CG 3.93Å; H196-R254 PolarHBondContact CE1-NH1 3.42Å; H196-R254 PolarHBondContact CE1-NH2 2.79Å; H196-R254 PolarHBondContact ND1-NH1 2.96Å; H196-R254 PolarHBondContact NE2-NH2 3.24Å; H196-D269 IonicContact CD2-OD1 2.97Å; H196-D269 IonicContact NE2-OD1 2.79Å; H196-D269 PolarHBondContact NE2-OD1 3.21Å; H196-D269 VanDerWaalsContact NE2-OD1 3.1Å; H196-N271 VanDerWaalsContact NE2-CB 3.32Å; H196-N271 WeakPolarHBondContact NE2-CB 3.2Å; H196-H323 AromaticContact CE1-CE1 3.22Å; H196-H323 PolarHBondContact CE1-CE1 3.44Å; H196-H323 AromaticContact CE1-ND1 3.39Å; H196-H323 PolarHBondContact CE1-ND1 3.48Å; H196-H323 AromaticContact ND1-CE1 3.45Å; H196-H323 PolarHBondContact ND1-CE1 2.91Å; H196-H323 AromaticContact ND1-ND1 3.17Å; H196-H323 PolarHBondContact ND1-ND1 2.79Å; H196-H323 VanDerWaalsContact ND1-ND1 3.17Å
197	S	98.9	Very high	98.7	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.021	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-33.8	-166.3	38.9	0	0	0	0	114.7	E199 G242 W253 R254 K255	S197-E199 PolarHBondContact O-N 2.9Å; S197-G242 WeakPolarHBondContact CB-O 3.28Å; S197-W253 PolarHBondContact OG-O 3.41Å; S197-R254 PolarHBondContact N-O 2.94Å; S197-R254 PolarHBondContact OG-O 3.26Å; S197-R254 VanDerWaalsContact OG-O 3.07Å; S197-K255 PolarHBondContact OG-O 2.77Å
198	R	98.8	Very high	98.8	Very high	3 Å²	3	3.3 Å²	3.3	1%	0.011	2%	0.016	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-13.5	177.9	63.5	-166.4	-172.3	-177	2.5	115.3	D68 F69 H196 W200 R251 L252 W253 F406	D68-R198 IonicContact OD1-CZ 3.93Å; D68-R198 IonicContact OD1-NH1 2.59Å; D68-R198 PolarHBondContact OD1-NH1 3.29Å; D68-R198 IonicContact OD1-NH2 3.38Å; D68-R198 IonicContact OD2-NH1 3.36Å; F69-R198 PolarHBondContact O-NH2 3.09Å; H196-R198 PolarHBondContact O-N 2.88Å; R198-W200 PolarHBondContact O-N 2.82Å; R198-R251 PolarHBondContact O-NH1 3.43Å; R198-L252 WeakPolarHBondContact CD-O 3.44Å; R198-L252 PolarHBondContact NH1-O 3.35Å; R198-W253 VanDerWaalsContact CB-O 3.25Å; R198-W253 WeakPolarHBondContact CB-O 3.43Å; R198-W253 PolarHBondContact N-O 3.22Å; R198-F406 HydrophobicContact CG-CD1 4.19Å; R198-F406 HydrophobicContact CG-CD2 4.22Å; R198-F406 HydrophobicContact CG-CE1 4.44Å; R198-F406 HydrophobicContact CG-CE2 4.46Å; R198-F406 HydrophobicContact CG-CG 4.08Å; R198-F406 VanDerWaalsContact CZ-CE2 3.41Å
199	E	98.9	Very high	98.9	Very high	2 Å²	2	3.4 Å²	3.4	1%	0.009	2%	0.016	C	C	.	.			trans	-84	57.3	-173.7	-63.4	176.7	-163	0	0	110.8	H196 S197 I201 T202 H203 R254 H323 S324 F406	H196-E199 HydrophobicContact CB-CG 3.99Å; H196-E199 VanDerWaalsContact CB-OE1 3.24Å; H196-E199 WeakPolarHBondContact CB-OE1 3.33Å; H196-E199 IonicContact CE1-OE1 3Å; H196-E199 IonicContact CG-OE1 3.6Å; H196-E199 IonicContact ND1-OE1 3.31Å; H196-E199 PolarHBondContact ND1-OE1 2.82Å; H196-E199 IonicContact ND1-OE2 3.28Å; H196-E199 PolarHBondContact O-N 2.96Å; S197-E199 PolarHBondContact O-N 2.9Å; E199-I201 PolarHBondContact O-N 3.06Å; E199-I201 VanDerWaalsContact O-N 3.09Å; E199-T202 HydrophobicContact CB-CG2 4Å; E199-T202 WeakPolarHBondContact O-CB 3.5Å; E199-T202 WeakPolarHBondContact O-CG2 3.39Å; E199-T202 PolarHBondContact O-N 2.84Å; E199-T202 PolarHBondContact O-OG1 3.4Å; E199-H203 PolarHBondContact O-ND1 3Å; E199-R254 IonicContact OE1-NH1 2.67Å; E199-H323 IonicContact OE1-ND1 2.73Å; E199-H323 WeakPolarHBondContact OE2-CA 3.43Å; E199-H323 VanDerWaalsContact OE2-CB 3.24Å; E199-H323 WeakPolarHBondContact OE2-CB 3.26Å; E199-H323 IonicContact OE2-CG 3.42Å; E199-H323 IonicContact OE2-ND1 3.8Å; E199-H323 PolarHBondContact OE2-ND1 2.94Å; E199-H323 VanDerWaalsContact OE2-ND1 3.08Å; E199-S324 VanDerWaalsContact CB-OG 3.26Å; E199-S324 WeakPolarHBondContact CB-OG 3.4Å; E199-S324 WeakPolarHBondContact CG-O 3.43Å; E199-S324 PolarHBondContact OE2-N 2.78Å; E199-F406 HydrophobicContact CG-CD1 3.97Å; E199-F406 HydrophobicContact CG-CE1 4Å
200	W	98.9	Very high	98.9	Very high	9 Å²	9	3.4 Å²	3.4	3%	0.034	2%	0.016	C	C	.	.	H	α-helix	trans	-56.9	-29.7	-168.9	-77.2	11.5	0	0	0	115	E117 M121 Y139 R198 T202 H203 A204 F243 T246 H247	E117-W200 HydrophobicContact CG-CE3 4.48Å; E117-W200 HydrophobicContact CG-CZ3 4.02Å; E117-W200 WeakPolarHBondContact OE1-CZ3 3.44Å; M121-W200 HydrophobicContact CE-CZ3 4.24Å; M121-W200 HydrophobicContact SD-CH2 4.14Å; M121-W200 HydrophobicContact SD-CZ3 3.6Å; Y139-W200 HydrophobicContact CD1-CB 3.79Å; Y139-W200 HydrophobicContact CD1-CE3 4.28Å; Y139-W200 AromaticContact CD2-CE3 3.88Å; Y139-W200 HydrophobicContact CD2-CE3 3.88Å; Y139-W200 HydrophobicContact CE1-CB 3.71Å; Y139-W200 WeakPolarHBondContact CE1-O 3.46Å; Y139-W200 HydrophobicContact CG-CB 4.37Å; Y139-W200 AromaticContact CG-CE3 3.73Å; Y139-W200 HydrophobicContact CG-CE3 3.73Å; Y139-W200 HydrophobicContact CG-CZ3 4.45Å; R198-W200 PolarHBondContact O-N 2.82Å; W200-T202 PolarHBondContact O-N 3.22Å; W200-H203 PolarHBondContact O-N 2.79Å; W200-A204 PolarHBondContact O-N 3.08Å; W200-F243 AromaticContact CD1-CE2 3.59Å; W200-F243 HydrophobicContact CG-CE2 4.2Å; W200-F243 AromaticContact NE1-CD2 3.87Å; W200-F243 AromaticContact NE1-CE2 3.57Å; W200-T246 PolarHBondContact NE1-OG1 3.39Å; W200-H247 AromaticContact CE2-CE1 3.95Å; W200-H247 AromaticContact CE2-NE2 3.73Å; W200-H247 AromaticContact CH2-CE1 3.26Å; W200-H247 WeakPolarHBondContact CH2-CE1 3.24Å; W200-H247 AromaticContact CH2-ND1 3.44Å; W200-H247 WeakPolarHBondContact CH2-ND1 3.22Å; W200-H247 AromaticContact CH2-NE2 3.86Å; W200-H247 AromaticContact CZ2-CD2 3.7Å; W200-H247 AromaticContact CZ2-CE1 3.31Å; W200-H247 WeakPolarHBondContact CZ2-CE1 3.11Å; W200-H247 AromaticContact CZ2-CG 3.8Å; W200-H247 AromaticContact CZ2-ND1 3.56Å; W200-H247 AromaticContact CZ2-NE2 3.41Å; W200-H247 WeakPolarHBondContact CZ2-NE2 3.24Å; W200-H247 AromaticContact CZ3-CE1 3.84Å
201	I	98.9	Very high	98.9	Very high	3 Å²	3	5.1 Å²	5.1	2%	0.015	3%	0.025	C	C	.	.	H	α-helix	trans	-59.8	-28.8	176.8	-172.5	57.4	0	0	0	113	E199 T205 S324 L398 L408 I413 T416	E199-I201 PolarHBondContact O-N 3.06Å; E199-I201 VanDerWaalsContact O-N 3.09Å; I201-T205 VanDerWaalsContact O-CB 3.24Å; I201-T205 WeakPolarHBondContact O-CB 3.37Å; I201-T205 PolarHBondContact O-N 3.34Å; I201-T205 PolarHBondContact O-OG1 2.97Å; I201-S324 WeakPolarHBondContact CG2-OG 3.37Å; I201-L398 HydrophobicContact CG1-CD1 4.41Å; I201-L398 HydrophobicContact CG2-CB 4.35Å; I201-L398 HydrophobicContact CG2-CD1 4.47Å; I201-L408 HydrophobicContact CB-CD2 4.26Å; I201-L408 HydrophobicContact CD1-CD2 3.9Å; I201-L408 HydrophobicContact CG1-CD2 3.77Å; I201-I413 HydrophobicContact CD1-CB 4.27Å; I201-I413 HydrophobicContact CD1-CG1 3.9Å; I201-T416 HydrophobicContact CD1-CG2 4.2Å; I201-T416 HydrophobicContact CG1-CG2 3.87Å
202	T	98.9	Very high	98.9	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-70.2	-49.3	-178.3	68.1	0	0	0	0	110.4	T193 G194 E199 W200 A204 T205 G206 I322 H323 L398	T193-T202 WeakPolarHBondContact CB-O 3.2Å; T193-T202 WeakPolarHBondContact CG2-O 3.4Å; G194-T202 WeakPolarHBondContact CA-OG1 3.25Å; G194-T202 PolarHBondContact N-OG1 2.98Å; G194-T202 VanDerWaalsContact N-OG1 3.08Å; E199-T202 HydrophobicContact CB-CG2 4Å; E199-T202 WeakPolarHBondContact O-CB 3.5Å; E199-T202 WeakPolarHBondContact O-CG2 3.39Å; E199-T202 PolarHBondContact O-N 2.84Å; E199-T202 PolarHBondContact O-OG1 3.4Å; W200-T202 PolarHBondContact O-N 3.22Å; T202-A204 VanDerWaalsContact C-N 3.35Å; T202-A204 PolarHBondContact O-N 3.09Å; T202-T205 CarbonylContact O-C 3.48Å; T202-T205 WeakPolarHBondContact O-CB 3.39Å; T202-T205 PolarHBondContact O-N 3.41Å; T202-T205 VanDerWaalsContact O-N 3.16Å; T202-G206 PolarHBondContact O-N 2.88Å; T202-I322 HydrophobicContact CG2-CG2 4.1Å; T202-I322 WeakPolarHBondContact CG2-O 3.42Å; T202-H323 WeakPolarHBondContact CG2-O 3.31Å; T202-L398 HydrophobicContact CG2-CD1 4.33Å
203	H	98.9	Very high	98.9	Very high	3 Å²	3	7.5 Å²	7.5	1%	0.014	4%	0.036	C	C	.	.	H	α-helix	trans	-55.2	-49.3	175.1	-52.5	83.3	0	0	0	111.3	G194 E199 W200 T205 G206 I207 L236 F243	G194-H203 WeakPolarHBondContact CA-CE1 3.45Å; G194-H203 VanDerWaalsContact CA-NE2 3.32Å; G194-H203 WeakPolarHBondContact CA-NE2 3.36Å; E199-H203 PolarHBondContact O-ND1 3Å; W200-H203 PolarHBondContact O-N 2.79Å; H203-T205 VanDerWaalsContact C-N 3.33Å; H203-T205 PolarHBondContact O-N 2.76Å; H203-G206 PolarHBondContact O-N 2.85Å; H203-I207 WeakPolarHBondContact O-CG1 3.49Å; H203-I207 PolarHBondContact O-N 3.05Å; H203-L236 PolarHBondContact CD2-O 2.73Å; H203-F243 AromaticContact CD2-CD2 3.89Å; H203-F243 AromaticContact CD2-CE2 3.95Å; H203-F243 AromaticContact CE1-CD2 3.57Å; H203-F243 AromaticContact CE1-CE2 3.86Å; H203-F243 AromaticContact CG-CE2 3.96Å; H203-F243 AromaticContact ND1-CE2 3.92Å; H203-F243 AromaticContact NE2-CD2 3.4Å; H203-F243 WeakPolarHBondContact NE2-CD2 3.23Å; H203-F243 AromaticContact NE2-CE2 3.88Å; H203-F243 AromaticContact NE2-CG 3.79Å
204	A	98.9	Very high	98.8	Very high	8 Å²	8	8.4 Å²	8.4	7%	0.066	4%	0.041	C	C	.	.	H	α-helix	trans	-63.3	-39.3	179.1	0	0	0	0	0	112.2	Y139 W200 T202 I207 W208 I413	Y139-A204 HydrophobicContact CD1-CB 4.01Å; Y139-A204 HydrophobicContact CE1-CB 3.95Å; W200-A204 PolarHBondContact O-N 3.08Å; T202-A204 VanDerWaalsContact C-N 3.35Å; T202-A204 PolarHBondContact O-N 3.09Å; A204-I207 PolarHBondContact O-N 3.01Å; A204-W208 PolarHBondContact O-N 3.23Å; A204-W208 VanDerWaalsContact O-N 3.08Å; A204-I413 HydrophobicContact CB-CD1 4.1Å; A204-I413 HydrophobicContact CB-CG1 4.17Å; A204-I413 HydrophobicContact CB-CG2 3.69Å
205	T	98.9	Very high	98.8	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-65.3	-39.5	174.2	-62.4	0	0	0	0	111.7	I201 T202 H203 W208 T209 L398 A417 T420	I201-T205 VanDerWaalsContact O-CB 3.24Å; I201-T205 WeakPolarHBondContact O-CB 3.37Å; I201-T205 PolarHBondContact O-N 3.34Å; I201-T205 PolarHBondContact O-OG1 2.97Å; T202-T205 CarbonylContact O-C 3.48Å; T202-T205 WeakPolarHBondContact O-CB 3.39Å; T202-T205 PolarHBondContact O-N 3.41Å; T202-T205 VanDerWaalsContact O-N 3.16Å; H203-T205 VanDerWaalsContact C-N 3.33Å; H203-T205 PolarHBondContact O-N 2.76Å; T205-W208 PolarHBondContact O-N 3.42Å; T205-T209 VanDerWaalsContact O-CB 3.29Å; T205-T209 WeakPolarHBondContact O-CB 3.37Å; T205-T209 PolarHBondContact O-N 2.87Å; T205-T209 PolarHBondContact O-OG1 3.18Å; T205-L398 HydrophobicContact CG2-CD1 4.21Å; T205-A417 HydrophobicContact CG2-CB 4.05Å; T205-T420 HydrophobicContact CG2-CG2 4.29Å
206	G	98.9	Very high	98.7	Very high	1 Å²	1	11.9 Å²	11.9	1%	0.01	6%	0.063	C	C	.	.	H	α-helix	trans	-60.8	-47	175.2	0	0	0	0	0	112.1	T202 H203 W208 T209 A210 L236	T202-G206 PolarHBondContact O-N 2.88Å; H203-G206 PolarHBondContact O-N 2.85Å; G206-W208 PolarHBondContact O-N 3.3Å; G206-T209 WeakPolarHBondContact O-CB 3.26Å; G206-T209 PolarHBondContact O-N 3.23Å; G206-A210 PolarHBondContact O-N 3.22Å; G206-L236 WeakPolarHBondContact O-CD2 2.98Å
207	I	98.9	Very high	98.7	Very high	4 Å²	4	14.8 Å²	14.8	2%	0.021	7%	0.074	C	C	.	.	H	α-helix	trans	-62.5	-44.9	179	-64.3	159.8	0	0	0	110.7	F134 Y136 I145 W148 H203 A204 T209 A210 N211 L236	F134-I207 HydrophobicContact CE1-CG2 3.62Å; F134-I207 HydrophobicContact CZ-CD1 4.49Å; F134-I207 HydrophobicContact CZ-CG2 3.94Å; Y136-I207 HydrophobicContact CD1-CG2 3.91Å; Y136-I207 HydrophobicContact CE1-CG2 3.73Å; I145-I207 HydrophobicContact CD1-CD1 3.82Å; I145-I207 HydrophobicContact CG1-CD1 3.66Å; I145-I207 HydrophobicContact CG2-CD1 4.23Å; I145-I207 HydrophobicContact CG2-CG1 4.48Å; W148-I207 HydrophobicContact CD2-CG2 3.95Å; W148-I207 HydrophobicContact CE3-CG2 4.09Å; W148-I207 HydrophobicContact CH2-CG2 4.05Å; W148-I207 HydrophobicContact CZ2-CG2 3.86Å; W148-I207 HydrophobicContact CZ3-CG2 4.15Å; H203-I207 WeakPolarHBondContact O-CG1 3.49Å; H203-I207 PolarHBondContact O-N 3.05Å; A204-I207 PolarHBondContact O-N 3.01Å; I207-T209 VanDerWaalsContact C-N 3.33Å; I207-T209 PolarHBondContact O-N 3.48Å; I207-A210 PolarHBondContact O-N 2.73Å; I207-N211 PolarHBondContact O-N 3.44Å; I207-L236 HydrophobicContact CG1-CD1 4.11Å; I207-L236 HydrophobicContact CG1-CD2 4.27Å
208	W	98.9	Very high	98.6	Very high	30 Å²	30	17.6 Å²	17.6	11%	0.114	10%	0.104	C	C	.	.	H	α-helix	trans	-61.8	-41.8	175.2	-174.6	98.6	0	0	0	111.7	Y136 A204 T205 G206 N211 K212 A417 Q418 W421	Y136-W208 HydrophobicContact CD1-CB 4.47Å; A204-W208 PolarHBondContact O-N 3.23Å; A204-W208 VanDerWaalsContact O-N 3.08Å; T205-W208 PolarHBondContact O-N 3.42Å; G206-W208 PolarHBondContact O-N 3.3Å; W208-N211 PolarHBondContact O-N 3.27Å; W208-K212 HydrophobicContact CE3-CB 3.96Å; W208-K212 HydrophobicContact CE3-CG 4.45Å; W208-K212 HydrophobicContact CH2-CB 4.05Å; W208-K212 HydrophobicContact CH2-CD 3.8Å; W208-K212 HydrophobicContact CH2-CG 3.73Å; W208-K212 HydrophobicContact CZ2-CD 4.33Å; W208-K212 HydrophobicContact CZ3-CB 3.64Å; W208-K212 HydrophobicContact CZ3-CD 4.23Å; W208-K212 HydrophobicContact CZ3-CG 3.64Å; W208-K212 WeakPolarHBondContact O-CB 3.46Å; W208-K212 PolarHBondContact O-N 3.33Å; W208-A417 HydrophobicContact CB-CB 3.86Å; W208-A417 HydrophobicContact CD2-CB 3.54Å; W208-A417 HydrophobicContact CE3-CB 3.59Å; W208-A417 HydrophobicContact CG-CB 3.66Å; W208-A417 HydrophobicContact CZ3-CB 4.36Å; W208-Q418 HydrophobicContact CH2-CG 3.95Å; W208-Q418 HydrophobicContact CZ2-CG 3.61Å; W208-W421 HydrophobicContact CH2-CB 4.28Å; W208-W421 HydrophobicContact CH2-CG 4.42Å; W208-W421 HydrophobicContact CZ3-CB 3.71Å; W208-W421 HydrophobicContact CZ3-CG 4Å
209	T	98.9	Very high	98.6	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.012	14%	0.138	C	C	.	.	H	α-helix	trans	-63.1	-44	178.9	-62.2	0	0	0	0	111.6	T205 G206 I207 N211 K212 I213 I234 W421 L424	T205-T209 VanDerWaalsContact O-CB 3.29Å; T205-T209 WeakPolarHBondContact O-CB 3.37Å; T205-T209 PolarHBondContact O-N 2.87Å; T205-T209 PolarHBondContact O-OG1 3.18Å; G206-T209 WeakPolarHBondContact O-CB 3.26Å; G206-T209 PolarHBondContact O-N 3.23Å; I207-T209 VanDerWaalsContact C-N 3.33Å; I207-T209 PolarHBondContact O-N 3.48Å; T209-N211 PolarHBondContact O-N 3.13Å; T209-K212 WeakPolarHBondContact O-CB 3.29Å; T209-K212 PolarHBondContact O-N 2.86Å; T209-K212 VanDerWaalsContact O-N 3.13Å; T209-I213 HydrophobicContact CG2-CD1 4.24Å; T209-I213 WeakPolarHBondContact O-CG1 3.31Å; T209-I213 PolarHBondContact O-N 3.43Å; T209-I234 HydrophobicContact CG2-CD1 4.15Å; T209-W421 HydrophobicContact CG2-CE3 3.88Å; T209-W421 HydrophobicContact CG2-CZ3 3.91Å; T209-L424 HydrophobicContact CG2-CD1 4.1Å
210	A	98.8	Very high	98.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-57	-48.1	174.9	0	0	0	0	0	111.7	W148 F152 L177 F179 G206 I207 K212 I213 V214	W148-A210 HydrophobicContact CH2-CB 3.71Å; W148-A210 HydrophobicContact CZ3-CB 4.42Å; F152-A210 HydrophobicContact CE1-CB 4.27Å; F152-A210 HydrophobicContact CZ-CB 4.44Å; F152-A210 WeakPolarHBondContact CZ-O 3.48Å; L177-A210 HydrophobicContact CD1-CB 3.92Å; F179-A210 HydrophobicContact CZ-CB 3.71Å; G206-A210 PolarHBondContact O-N 3.22Å; I207-A210 PolarHBondContact O-N 2.73Å; A210-K212 VanDerWaalsContact C-N 3.32Å; A210-K212 PolarHBondContact O-N 2.82Å; A210-I213 PolarHBondContact O-N 2.79Å; A210-V214 PolarHBondContact O-N 3.42Å
211	N	98.6	Very high	98.5	Very high	36 Å²	36	36 Å²	36	19%	0.193	18%	0.18	C	C	.	.	H	α-helix	trans	-63.8	-37.2	175.2	-177.7	63.2	0	0	0	112.8	Y136 F152 I207 W208 T209 I213 V214 S215	Y136-N211 HydrophobicContact CD1-CB 4.36Å; Y136-N211 HydrophobicContact CE1-CB 3.51Å; Y136-N211 PolarHBondContact OH-OD1 2.87Å; F152-N211 HydrophobicContact CE2-CB 4.3Å; I207-N211 PolarHBondContact O-N 3.44Å; W208-N211 PolarHBondContact O-N 3.27Å; T209-N211 PolarHBondContact O-N 3.13Å; N211-I213 VanDerWaalsContact C-N 3.35Å; N211-I213 PolarHBondContact O-N 2.95Å; N211-V214 PolarHBondContact O-N 3.22Å; N211-S215 VanDerWaalsContact O-CB 3.25Å; N211-S215 WeakPolarHBondContact O-CB 3.44Å; N211-S215 PolarHBondContact O-N 3.2Å; N211-S215 PolarHBondContact O-OG 2.79Å
212	K	98.6	Very high	98.4	Very high	53 Å²	53	37 Å²	37	23%	0.23	19%	0.186	C	C	.	.	H	α-helix	trans	-62.8	-41.2	177.8	-176	57.2	169.1	160.8	0	111.8	W208 T209 A210 S215 D216 W421	W208-K212 HydrophobicContact CE3-CB 3.96Å; W208-K212 HydrophobicContact CE3-CG 4.45Å; W208-K212 HydrophobicContact CH2-CB 4.05Å; W208-K212 HydrophobicContact CH2-CD 3.8Å; W208-K212 HydrophobicContact CH2-CG 3.73Å; W208-K212 HydrophobicContact CZ2-CD 4.33Å; W208-K212 HydrophobicContact CZ3-CB 3.64Å; W208-K212 HydrophobicContact CZ3-CD 4.23Å; W208-K212 HydrophobicContact CZ3-CG 3.64Å; W208-K212 WeakPolarHBondContact O-CB 3.46Å; W208-K212 PolarHBondContact O-N 3.33Å; T209-K212 WeakPolarHBondContact O-CB 3.29Å; T209-K212 PolarHBondContact O-N 2.86Å; T209-K212 VanDerWaalsContact O-N 3.13Å; A210-K212 VanDerWaalsContact C-N 3.32Å; A210-K212 PolarHBondContact O-N 2.82Å; K212-S215 PolarHBondContact O-N 3.31Å; K212-D216 WeakPolarHBondContact CE-OD2 3.4Å; K212-D216 IonicContact NZ-OD1 3.71Å; K212-D216 PolarHBondContact NZ-OD1 2.82Å; K212-D216 IonicContact NZ-OD2 2.76Å; K212-D216 PolarHBondContact NZ-OD2 3.34Å; K212-D216 WeakPolarHBondContact O-CB 3.48Å; K212-D216 PolarHBondContact O-N 3.46Å; K212-W421 HydrophobicContact CG-CD2 3.82Å; K212-W421 HydrophobicContact CG-CE3 4.37Å; K212-W421 HydrophobicContact CG-CG 4.12Å; K212-W421 HydrophobicContact CG-CZ2 4.04Å
213	I	98.8	Very high	98.4	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-58.7	-51.6	178.4	-70.9	166.3	0	0	0	111	F179 T209 A210 N211 D216 Y217 L223 L227 I232 I234 W421	F179-I213 HydrophobicContact CB-CG2 4.32Å; F179-I213 HydrophobicContact CD1-CB 4.19Å; F179-I213 HydrophobicContact CD1-CG2 3.55Å; F179-I213 HydrophobicContact CD2-CD1 4.4Å; F179-I213 HydrophobicContact CE1-CB 4.2Å; F179-I213 HydrophobicContact CE1-CG2 4.07Å; F179-I213 HydrophobicContact CE2-CD1 4.39Å; F179-I213 HydrophobicContact CG-CG2 3.99Å; T209-I213 HydrophobicContact CG2-CD1 4.24Å; T209-I213 WeakPolarHBondContact O-CG1 3.31Å; T209-I213 PolarHBondContact O-N 3.43Å; A210-I213 PolarHBondContact O-N 2.79Å; N211-I213 VanDerWaalsContact C-N 3.35Å; N211-I213 PolarHBondContact O-N 2.95Å; I213-D216 PolarHBondContact O-N 2.86Å; I213-Y217 WeakPolarHBondContact O-CB 3.27Å; I213-Y217 PolarHBondContact O-N 3.1Å; I213-L223 HydrophobicContact CG2-CD1 4.46Å; I213-L223 WeakPolarHBondContact O-CD2 3.2Å; I213-L227 HydrophobicContact CG2-CD1 3.81Å; I213-I232 HydrophobicContact CD1-CD1 4.32Å; I213-I232 HydrophobicContact CD1-CG2 4.3Å; I213-I234 HydrophobicContact CD1-CD1 3.54Å; I213-W421 HydrophobicContact CD1-CZ3 4.4Å; I213-W421 HydrophobicContact CG1-CH2 3.71Å; I213-W421 HydrophobicContact CG1-CZ3 3.79Å
214	V	98.3	Very high	98.3	Very high	19 Å²	19	37.6 Å²	37.6	12%	0.115	19%	0.19	C	C	.	.	H	α-helix	trans	-64.7	-43.3	178.7	175.4	0	0	0	0	111	F152 H156 I159 V160 F179 A210 N211 D216 Y217	F152-V214 HydrophobicContact CE1-CG2 4.04Å; F152-V214 HydrophobicContact CE2-CG2 4.24Å; F152-V214 HydrophobicContact CZ-CB 4.14Å; F152-V214 HydrophobicContact CZ-CG2 3.43Å; F152-V214 VanDerWaalsContact CZ-CG2 3.43Å; H156-V214 HydrophobicContact CB-CG1 4.1Å; H156-V214 HydrophobicContact CB-CG2 4.31Å; H156-V214 VanDerWaalsContact CG-CG1 3.47Å; H156-V214 WeakPolarHBondContact ND1-CG1 3.4Å; I159-V214 HydrophobicContact CD1-CB 4.32Å; I159-V214 HydrophobicContact CD1-CG1 4.14Å; I159-V214 HydrophobicContact CD1-CG2 4.02Å; I159-V214 HydrophobicContact CG1-CG2 4.49Å; V160-V214 HydrophobicContact CG2-CG2 3.58Å; F179-V214 HydrophobicContact CD1-CG2 4.24Å; F179-V214 HydrophobicContact CE1-CG2 3.9Å; A210-V214 PolarHBondContact O-N 3.42Å; N211-V214 PolarHBondContact O-N 3.22Å; V214-D216 VanDerWaalsContact C-N 3.26Å; V214-D216 PolarHBondContact O-N 2.77Å; V214-Y217 PolarHBondContact O-N 3.23Å
215	S	97.7	Very high	98.2	Very high	43 Å²	43	40.1 Å²	40.1	30%	0.301	20%	0.203	S	C	.	.	H	α-helix	trans	-62.5	-33.1	-176.8	-66.8	0	0	0	0	113.2	N211 K212 K219	N211-S215 VanDerWaalsContact O-CB 3.25Å; N211-S215 WeakPolarHBondContact O-CB 3.44Å; N211-S215 PolarHBondContact O-N 3.2Å; N211-S215 PolarHBondContact O-OG 2.79Å; K212-S215 PolarHBondContact O-N 3.31Å; S215-K219 WeakPolarHBondContact O-CD 3.48Å; S215-K219 WeakPolarHBondContact O-CE 3.4Å; S215-K219 PolarHBondContact O-NZ 2.8Å
216	D	98.3	Very high	98.2	Very high	30 Å²	30	40.1 Å²	40.1	16%	0.16	20%	0.203	C	C	.	.	H	α-helix	trans	-97.7	-16.2	-177.1	-77.5	13.7	0	0	0	113.5	K212 I213 V214 G218 K219 D220 L223	K212-D216 WeakPolarHBondContact CE-OD2 3.4Å; K212-D216 IonicContact NZ-OD1 3.71Å; K212-D216 PolarHBondContact NZ-OD1 2.82Å; K212-D216 IonicContact NZ-OD2 2.76Å; K212-D216 PolarHBondContact NZ-OD2 3.34Å; K212-D216 WeakPolarHBondContact O-CB 3.48Å; K212-D216 PolarHBondContact O-N 3.46Å; I213-D216 PolarHBondContact O-N 2.86Å; V214-D216 VanDerWaalsContact C-N 3.26Å; V214-D216 PolarHBondContact O-N 2.77Å; D216-G218 PolarHBondContact O-N 3.31Å; D216-K219 WeakPolarHBondContact O-CA 3.48Å; D216-K219 WeakPolarHBondContact O-CB 3.48Å; D216-K219 PolarHBondContact O-N 3.23Å; D216-D220 HydrophobicContact CB-CB 4.12Å; D216-D220 PolarHBondContact O-N 2.83Å; D216-L223 HydrophobicContact CB-CD2 3.55Å
217	Y	97.6	Very high	98.1	Very high	64 Å²	64	40.1 Å²	40.1	25%	0.251	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	130.8	175.9	178.8	-112.9	0	0	0	110.9	I159 T181 I213 V214 K219 T224 L227	I159-Y217 HydrophobicContact CD1-CD1 3.77Å; I159-Y217 HydrophobicContact CD1-CG 4.24Å; I159-Y217 HydrophobicContact CG2-CD1 4.11Å; I159-Y217 HydrophobicContact CG2-CE1 3.81Å; T181-Y217 HydrophobicContact CG2-CE1 4.37Å; T181-Y217 HydrophobicContact CG2-CE2 3.76Å; T181-Y217 WeakPolarHBondContact CG2-OH 3.3Å; I213-Y217 WeakPolarHBondContact O-CB 3.27Å; I213-Y217 PolarHBondContact O-N 3.1Å; V214-Y217 PolarHBondContact O-N 3.23Å; Y217-K219 PolarHBondContact O-N 3.44Å; Y217-T224 HydrophobicContact CD2-CG2 4.37Å; Y217-T224 HydrophobicContact CE2-CG2 4.01Å; Y217-L227 HydrophobicContact CD2-CB 4.01Å; Y217-L227 HydrophobicContact CD2-CD1 3.48Å; Y217-L227 VanDerWaalsContact CD2-CD1 3.48Å; Y217-L227 HydrophobicContact CD2-CG 4.38Å; Y217-L227 HydrophobicContact CE2-CB 3.95Å; Y217-L227 HydrophobicContact CE2-CD1 4.19Å; Y217-L227 HydrophobicContact CG-CD1 3.93Å
218	G	97	Very high	98	Very high	60 Å²	60	45.5 Å²	45.5	62%	0.619	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	79	-3.9	-172.5	0	0	0	0	0	114.9	D216 T224	D216-G218 PolarHBondContact O-N 3.31Å; G218-T224 WeakPolarHBondContact CA-OG1 3.31Å; G218-T224 PolarHBondContact N-OG1 3.22Å
219	K	98.1	Very high	97.8	Very high	167 Å²	167	46.1 Å²	46.1	73%	0.726	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.6	-51.7	177.8	-58	177.3	-167	151.4	0	112.4	S215 D216 Y217	S215-K219 WeakPolarHBondContact O-CD 3.48Å; S215-K219 WeakPolarHBondContact O-CE 3.4Å; S215-K219 PolarHBondContact O-NZ 2.8Å; D216-K219 WeakPolarHBondContact O-CA 3.48Å; D216-K219 WeakPolarHBondContact O-CB 3.48Å; D216-K219 PolarHBondContact O-N 3.23Å; Y217-K219 PolarHBondContact O-N 3.44Å
220	D	98	Very high	97.8	Very high	38 Å²	38	46.1 Å²	46.1	20%	0.203	24%	0.237	C	C	.	.	S	Bend	trans	-82.3	119.9	172	-179.6	-111.7	0	0	0	109.2	D216 V222 L223 T224 R425	D216-D220 HydrophobicContact CB-CB 4.12Å; D216-D220 PolarHBondContact O-N 2.83Å; D220-V222 PolarHBondContact O-N 3.36Å; D220-V222 PolarHBondContact OD1-N 3.07Å; D220-L223 HydrophobicContact CB-CB 4.12Å; D220-L223 WeakPolarHBondContact OD1-CB 3.17Å; D220-L223 PolarHBondContact OD1-N 3.36Å; D220-T224 VanDerWaalsContact O-CB 3.28Å; D220-T224 WeakPolarHBondContact O-CB 3.38Å; D220-T224 PolarHBondContact O-N 3.35Å; D220-T224 PolarHBondContact O-OG1 3.16Å; D220-R425 IonicContact OD1-CZ 3.71Å; D220-R425 IonicContact OD1-NE 3.68Å; D220-R425 PolarHBondContact OD1-NE 3.28Å; D220-R425 IonicContact OD1-NH2 3.07Å; D220-R425 PolarHBondContact OD1-NH2 2.97Å; D220-R425 IonicContact OD2-CZ 3.14Å; D220-R425 IonicContact OD2-NE 3.75Å; D220-R425 IonicContact OD2-NH2 2.75Å; D220-R425 PolarHBondContact OD2-NH2 2.73Å
221	R	97.9	Very high	97.8	Very high	194 Å²	194	46.2 Å²	46.2	73%	0.732	24%	0.237	S	C	*	.	H	α-helix	trans	-62.3	-45	-176.3	179.9	177.2	173.3	177.6	-1.5	112	T224 D225	R221-T224 PolarHBondContact O-N 3.21Å; R221-D225 IonicContact NE-OD2 3.65Å; R221-D225 WeakPolarHBondContact O-CB 3.44Å; R221-D225 VanDerWaalsContact O-CG 3.25Å; R221-D225 PolarHBondContact O-N 2.97Å
222	V	97.4	Very high	97.8	Very high	24 Å²	24	44.5 Å²	44.5	15%	0.145	23%	0.228	C	C	.	.	H	α-helix	trans	-62.7	-50.5	-177.2	173.7	0	0	0	0	110.4	D220 T224 D225 I226 R425 E429	D220-V222 PolarHBondContact O-N 3.36Å; D220-V222 PolarHBondContact OD1-N 3.07Å; V222-T224 VanDerWaalsContact C-N 3.3Å; V222-T224 PolarHBondContact O-N 2.58Å; V222-D225 PolarHBondContact O-N 2.88Å; V222-I226 HydrophobicContact CG1-CD1 3.87Å; V222-I226 VanDerWaalsContact O-CG1 3.3Å; V222-I226 WeakPolarHBondContact O-CG1 3.46Å; V222-I226 PolarHBondContact O-N 2.75Å; V222-R425 HydrophobicContact CG1-CG 4.29Å; V222-R425 VanDerWaalsContact CG2-NH2 3.34Å; V222-E429 HydrophobicContact CG1-CB 3.81Å; V222-E429 HydrophobicContact CG1-CG 3.84Å
223	L	98.2	Very high	97.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.5	-40.6	176.1	179.8	63.8	0	0	0	112.4	I213 D216 D220 D225 I226 L227 I232 W421	I213-L223 HydrophobicContact CG2-CD1 4.46Å; I213-L223 WeakPolarHBondContact O-CD2 3.2Å; D216-L223 HydrophobicContact CB-CD2 3.55Å; D220-L223 HydrophobicContact CB-CB 4.12Å; D220-L223 WeakPolarHBondContact OD1-CB 3.17Å; D220-L223 PolarHBondContact OD1-N 3.36Å; L223-D225 VanDerWaalsContact C-N 3.32Å; L223-D225 PolarHBondContact O-N 3.43Å; L223-I226 PolarHBondContact O-N 2.76Å; L223-L227 HydrophobicContact CD1-CD1 4.37Å; L223-L227 HydrophobicContact CD1-CG 4.37Å; L223-L227 HydrophobicContact CG-CD1 4.37Å; L223-L227 PolarHBondContact O-N 2.79Å; L223-I232 HydrophobicContact CD1-CD1 4.43Å; L223-W421 HydrophobicContact CD1-CH2 3.95Å; L223-W421 HydrophobicContact CD1-CZ2 4.43Å; L223-W421 HydrophobicContact CD2-CH2 4.23Å; L223-W421 HydrophobicContact CD2-CZ2 4.17Å
224	T	97.9	Very high	97.8	Very high	16 Å²	16	42.1 Å²	42.1	10%	0.098	22%	0.218	C	C	.	.	H	α-helix	trans	-63.2	-41	177.9	-58.3	0	0	0	0	111.2	Y217 G218 D220 R221 V222 K228	Y217-T224 HydrophobicContact CD2-CG2 4.37Å; Y217-T224 HydrophobicContact CE2-CG2 4.01Å; G218-T224 WeakPolarHBondContact CA-OG1 3.31Å; G218-T224 PolarHBondContact N-OG1 3.22Å; D220-T224 VanDerWaalsContact O-CB 3.28Å; D220-T224 WeakPolarHBondContact O-CB 3.38Å; D220-T224 PolarHBondContact O-N 3.35Å; D220-T224 PolarHBondContact O-OG1 3.16Å; R221-T224 PolarHBondContact O-N 3.21Å; V222-T224 VanDerWaalsContact C-N 3.3Å; V222-T224 PolarHBondContact O-N 2.58Å; T224-K228 HydrophobicContact CG2-CD 4.31Å; T224-K228 WeakPolarHBondContact O-CB 3.42Å; T224-K228 VanDerWaalsContact O-CG 3.26Å; T224-K228 WeakPolarHBondContact O-CG 3.26Å; T224-K228 PolarHBondContact O-N 3.35Å; T224-K228 VanDerWaalsContact O-N 3.11Å
225	D	97.6	Very high	97.8	Very high	61 Å²	61	41.2 Å²	41.2	33%	0.326	21%	0.213	S	C	.	.	H	α-helix	trans	-69.4	-37	177.3	-68.3	-19.3	0	0	0	111.2	R221 V222 L223 A229 L432	R221-D225 IonicContact NE-OD2 3.65Å; R221-D225 WeakPolarHBondContact O-CB 3.44Å; R221-D225 VanDerWaalsContact O-CG 3.25Å; R221-D225 PolarHBondContact O-N 2.97Å; V222-D225 PolarHBondContact O-N 2.88Å; L223-D225 VanDerWaalsContact C-N 3.32Å; L223-D225 PolarHBondContact O-N 3.43Å; D225-A229 PolarHBondContact O-N 3.14Å; D225-L432 HydrophobicContact CB-CD2 4.17Å
226	I	97.9	Very high	97.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-58.9	-56.2	171.5	-68.3	160	0	0	0	110.2	I189 V222 L223 K228 A229 M230 I232 M428 L432	I189-I226 HydrophobicContact CD1-CG2 4.18Å; V222-I226 HydrophobicContact CG1-CD1 3.87Å; V222-I226 VanDerWaalsContact O-CG1 3.3Å; V222-I226 WeakPolarHBondContact O-CG1 3.46Å; V222-I226 PolarHBondContact O-N 2.75Å; L223-I226 PolarHBondContact O-N 2.76Å; I226-K228 VanDerWaalsContact C-N 3.25Å; I226-K228 PolarHBondContact O-N 2.71Å; I226-A229 CarbonylContact O-C 3.59Å; I226-A229 PolarHBondContact O-N 3.33Å; I226-M230 HydrophobicContact CG2-CB 4.39Å; I226-M230 WeakPolarHBondContact O-CA 3.22Å; I226-M230 WeakPolarHBondContact O-CB 3.41Å; I226-M230 PolarHBondContact O-N 3.32Å; I226-I232 HydrophobicContact CG2-CD1 4.13Å; I226-I232 HydrophobicContact CG2-CG1 4.49Å; I226-M428 HydrophobicContact CD1-CB 3.69Å; I226-L432 HydrophobicContact CG1-CB 4.25Å; I226-L432 HydrophobicContact CG1-CD2 3.89Å
227	L	97.4	Very high	97.9	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-66.4	-24.5	-175.1	-78.9	177.7	0	0	0	113.9	F179 T181 I213 Y217 L223 A229 I232	F179-L227 HydrophobicContact CB-CD2 3.82Å; T181-L227 HydrophobicContact CG2-CB 4.08Å; T181-L227 WeakPolarHBondContact CG2-O 3.27Å; T181-L227 PolarHBondContact OG1-O 3.48Å; T181-L227 VanDerWaalsContact OG1-O 3.09Å; I213-L227 HydrophobicContact CG2-CD1 3.81Å; Y217-L227 HydrophobicContact CD2-CB 4.01Å; Y217-L227 HydrophobicContact CD2-CD1 3.48Å; Y217-L227 VanDerWaalsContact CD2-CD1 3.48Å; Y217-L227 HydrophobicContact CD2-CG 4.38Å; Y217-L227 HydrophobicContact CE2-CB 3.95Å; Y217-L227 HydrophobicContact CE2-CD1 4.19Å; Y217-L227 HydrophobicContact CG-CD1 3.93Å; L223-L227 HydrophobicContact CD1-CD1 4.37Å; L223-L227 HydrophobicContact CD1-CG 4.37Å; L223-L227 HydrophobicContact CG-CD1 4.37Å; L223-L227 PolarHBondContact O-N 2.79Å; L227-A229 VanDerWaalsContact C-N 3.32Å; L227-I232 HydrophobicContact CD2-CD1 3.83Å; L227-I232 HydrophobicContact CD2-CG1 4.04Å; L227-I232 HydrophobicContact CG-CD1 4.41Å
228	K	95.4	Very high	98	Very high	118 Å²	118	35 Å²	35	51%	0.513	18%	0.181	S	C	.	.	H	α-helix	trans	-70.7	-27.8	172.6	-79.2	173.2	179.8	171.8	0	113.4	T224 I226	T224-K228 HydrophobicContact CG2-CD 4.31Å; T224-K228 WeakPolarHBondContact O-CB 3.42Å; T224-K228 VanDerWaalsContact O-CG 3.26Å; T224-K228 WeakPolarHBondContact O-CG 3.26Å; T224-K228 PolarHBondContact O-N 3.35Å; T224-K228 VanDerWaalsContact O-N 3.11Å; I226-K228 VanDerWaalsContact C-N 3.25Å; I226-K228 PolarHBondContact O-N 2.71Å
229	A	96.3	Very high	98.1	Very high	42 Å²	42	32.2 Å²	32.2	35%	0.347	15%	0.151	S	C	.	.	H	α-helix	trans	-110.1	-19.4	-173.4	0	0	0	0	0	113.4	D225 I226 L227 L432	D225-A229 PolarHBondContact O-N 3.14Å; I226-A229 CarbonylContact O-C 3.59Å; I226-A229 PolarHBondContact O-N 3.33Å; L227-A229 VanDerWaalsContact C-N 3.32Å; A229-L432 HydrophobicContact CB-CD1 3.5Å; A229-L432 VanDerWaalsContact CB-CD1 3.5Å
230	M	97.8	Very high	98.1	Very high	3 Å²	3	24.2 Å²	24.2	2%	0.015	12%	0.117	C	C	.	.			trans	-139.5	148.1	-171.2	-56.2	-171.3	76.9	0	0	111.7	P187 I189 I226 K317 T431 L432	P187-M230 HydrophobicContact CB-CE 3.95Å; P187-M230 HydrophobicContact CB-CG 4.49Å; P187-M230 CarbonylContact O-C 3.54Å; P187-M230 WeakPolarHBondContact O-CA 3.32Å; P187-M230 WeakPolarHBondContact O-CB 3.42Å; I189-M230 HydrophobicContact CD1-CE 3.83Å; I189-M230 HydrophobicContact CD1-SD 3.81Å; I189-M230 HydrophobicContact CG1-CE 3.7Å; I189-M230 HydrophobicContact CG1-SD 4.37Å; I226-M230 HydrophobicContact CG2-CB 4.39Å; I226-M230 WeakPolarHBondContact O-CA 3.22Å; I226-M230 WeakPolarHBondContact O-CB 3.41Å; I226-M230 PolarHBondContact O-N 3.32Å; M230-K317 HydrophobicContact CE-CB 4.1Å; M230-K317 HydrophobicContact CE-CG 4.3Å; M230-T431 HydrophobicContact CE-CG2 3.54Å; M230-T431 HydrophobicContact SD-CG2 4.2Å; M230-L432 HydrophobicContact CG-CD1 4.35Å; M230-L432 HydrophobicContact SD-CB 4.19Å; M230-L432 HydrophobicContact SD-CD1 4.42Å
231	D	98.2	Very high	98.1	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	139.7	167.7	-72.5	-13.8	0	0	0	109.6	K178 S180 H186 P187 A188 I189 F233	K178-D231 WeakPolarHBondContact CE-OD2 3.33Å; K178-D231 IonicContact NZ-OD2 2.73Å; K178-D231 PolarHBondContact NZ-OD2 3.22Å; S180-D231 WeakPolarHBondContact CB-OD1 3.49Å; S180-D231 PolarHBondContact OG-OD1 3.02Å; H186-D231 IonicContact ND1-OD1 2.69Å; P187-D231 PolarHBondContact O-N 3.46Å; A188-D231 CarbonylContact C-O 3.6Å; A188-D231 VanDerWaalsContact CA-O 3.26Å; A188-D231 WeakPolarHBondContact CA-O 3.29Å; A188-D231 HydrophobicContact CB-CB 4.46Å; I189-D231 PolarHBondContact N-O 2.93Å; D231-F233 HydrophobicContact CB-CD2 4.32Å; D231-F233 HydrophobicContact CB-CE2 3.61Å; D231-F233 HydrophobicContact CB-CZ 4.16Å
232	I	98.8	Very high	98.2	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	128.9	170.5	-55.7	172.6	0	0	0	108.2	F179 I189 I191 I213 L223 I226 L227 I234 M428	F179-I232 HydrophobicContact CB-CB 4.23Å; F179-I232 HydrophobicContact CD2-CB 4.37Å; F179-I232 HydrophobicContact CD2-CG2 4.45Å; F179-I232 WeakPolarHBondContact CD2-O 2.97Å; F179-I232 PolarHBondContact N-O 3Å; F179-I232 PolarHBondContact O-N 2.83Å; I189-I232 HydrophobicContact CD1-CG1 4.41Å; I191-I232 HydrophobicContact CD1-CG2 4.21Å; I213-I232 HydrophobicContact CD1-CD1 4.32Å; I213-I232 HydrophobicContact CD1-CG2 4.3Å; L223-I232 HydrophobicContact CD1-CD1 4.43Å; I226-I232 HydrophobicContact CG2-CD1 4.13Å; I226-I232 HydrophobicContact CG2-CG1 4.49Å; L227-I232 HydrophobicContact CD2-CD1 3.83Å; L227-I232 HydrophobicContact CD2-CG1 4.04Å; L227-I232 HydrophobicContact CG-CD1 4.41Å; I232-I234 HydrophobicContact CG2-CD1 4.32Å; I232-I234 HydrophobicContact CG2-CG1 3.95Å; I232-M428 HydrophobicContact CD1-SD 3.73Å; I232-M428 HydrophobicContact CG1-SD 4.42Å
233	F	98.9	Very high	98.3	Very high	3 Å²	3	12.3 Å²	12.3	1%	0.013	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	126.3	174.2	-65.8	-91.1	0	0	0	109.1	I163 V176 L177 K178 A188 I189 W190 I191 D231 F309 H313 F316	I163-F233 HydrophobicContact CD1-CD1 4.36Å; I163-F233 HydrophobicContact CD1-CE1 3.79Å; V176-F233 HydrophobicContact CG1-CB 3.87Å; V176-F233 HydrophobicContact CG1-CD1 3.93Å; V176-F233 HydrophobicContact CG1-CG 4.41Å; L177-F233 CarbonylContact O-C 3.55Å; L177-F233 VanDerWaalsContact O-CA 3.3Å; L177-F233 WeakPolarHBondContact O-CA 3.25Å; K178-F233 HydrophobicContact CB-CD1 3.88Å; K178-F233 HydrophobicContact CB-CE1 3.68Å; K178-F233 HydrophobicContact CD-CE1 3.68Å; K178-F233 HydrophobicContact CD-CZ 3.85Å; K178-F233 HydrophobicContact CG-CD1 4.19Å; K178-F233 HydrophobicContact CG-CE1 3.62Å; K178-F233 HydrophobicContact CG-CZ 3.98Å; A188-F233 HydrophobicContact CB-CD2 3.93Å; A188-F233 HydrophobicContact CB-CE2 3.68Å; I189-F233 PolarHBondContact O-N 3Å; W190-F233 HydrophobicContact CE3-CB 3.86Å; W190-F233 HydrophobicContact CZ3-CB 4.26Å; I191-F233 PolarHBondContact N-O 2.81Å; D231-F233 HydrophobicContact CB-CD2 4.32Å; D231-F233 HydrophobicContact CB-CE2 3.61Å; D231-F233 HydrophobicContact CB-CZ 4.16Å; F233-F309 AromaticContact CD1-CE1 3.87Å; F233-F309 HydrophobicContact CD1-CE1 3.87Å; F233-F309 AromaticContact CD1-CZ 3.67Å; F233-F309 HydrophobicContact CD1-CZ 3.67Å; F233-F309 HydrophobicContact CE1-CE1 4.12Å; F233-F309 AromaticContact CE1-CZ 3.55Å; F233-F309 HydrophobicContact CE1-CZ 3.55Å; F233-F309 HydrophobicContact CG-CE1 4.21Å; F233-F309 HydrophobicContact CG-CZ 4.44Å; F233-F309 HydrophobicContact CZ-CZ 4.23Å; F233-H313 AromaticContact CE2-NE2 3.82Å; F233-H313 AromaticContact CZ-CD2 3.98Å; F233-H313 AromaticContact CZ-NE2 3.96Å; F233-F316 HydrophobicContact CB-CE1 4.34Å; F233-F316 HydrophobicContact CB-CZ 4.44Å; F233-F316 AromaticContact CD2-CE1 3.58Å; F233-F316 HydrophobicContact CD2-CE1 3.58Å; F233-F316 AromaticContact CD2-CZ 3.53Å; F233-F316 HydrophobicContact CD2-CZ 3.53Å; F233-F316 HydrophobicContact CE2-CE1 4.22Å; F233-F316 AromaticContact CE2-CZ 3.9Å; F233-F316 HydrophobicContact CE2-CZ 3.9Å; F233-F316 HydrophobicContact CG-CE1 4.23Å; F233-F316 HydrophobicContact CG-CZ 4.03Å
234	I	98.9	Very high	98.3	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.005	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	117.9	177.5	-51.9	-171.2	0	0	0	110.1	L177 F179 I191 T209 I213 I232 L236	L177-I234 PolarHBondContact N-O 3.39Å; L177-I234 PolarHBondContact O-N 3.08Å; F179-I234 HydrophobicContact CD2-CD1 4.37Å; F179-I234 HydrophobicContact CD2-CG1 4.25Å; F179-I234 HydrophobicContact CE2-CB 4.18Å; F179-I234 HydrophobicContact CE2-CD1 3.71Å; F179-I234 HydrophobicContact CE2-CG1 3.77Å; F179-I234 HydrophobicContact CZ-CD1 4.35Å; I191-I234 HydrophobicContact CB-CG1 4.25Å; I191-I234 HydrophobicContact CD1-CD1 4.43Å; I191-I234 HydrophobicContact CD1-CG1 4.45Å; I191-I234 CarbonylContact O-C 3.58Å; I191-I234 VanDerWaalsContact O-CA 3.27Å; I191-I234 WeakPolarHBondContact O-CA 3.38Å; T209-I234 HydrophobicContact CG2-CD1 4.15Å; I213-I234 HydrophobicContact CD1-CD1 3.54Å; I232-I234 HydrophobicContact CG2-CD1 4.32Å; I232-I234 HydrophobicContact CG2-CG1 3.95Å; I234-L236 HydrophobicContact CG2-CD2 3.67Å; I234-L236 HydrophobicContact CG2-CG 4.29Å
235	E	98.9	Very high	98.3	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	107.1	169.1	-170.7	-177.7	-147	0	0	109.7	I174 V176 W190 I191 D192 T193 T238 I306	I174-E235 WeakPolarHBondContact CG2-OE1 3.28Å; V176-E235 HydrophobicContact CG2-CB 4.17Å; V176-E235 HydrophobicContact CG2-CG 4.28Å; W190-E235 HydrophobicContact CH2-CB 4Å; W190-E235 HydrophobicContact CZ2-CB 3.76Å; W190-E235 HydrophobicContact CZ2-CG 4.48Å; W190-E235 WeakPolarHBondContact CZ2-OE2 3.21Å; I191-E235 PolarHBondContact O-N 3.17Å; D192-E235 HydrophobicContact CB-CB 4.22Å; T193-E235 PolarHBondContact N-O 2.74Å; T193-E235 PolarHBondContact OG1-O 2.86Å; E235-T238 VanDerWaalsContact CD-OG1 3.25Å; E235-T238 WeakPolarHBondContact OE2-CB 3.31Å; E235-T238 WeakPolarHBondContact OE2-CG2 3.22Å; E235-T238 PolarHBondContact OE2-OG1 3.13Å; E235-I306 VanDerWaalsContact OE2-CD1 3.27Å; E235-I306 WeakPolarHBondContact OE2-CD1 3.1Å
236	L	98.8	Very high	98.4	Very high	2 Å²	2	11.6 Å²	11.6	1%	0.01	6%	0.062	C	C	.	.	S	Bend	trans	-78.7	-27.8	-172.5	-64.9	175.7	0	0	0	113.8	W148 I149 L177 T193 H203 G206 I207 I234	W148-L236 HydrophobicContact CE3-CD1 4.16Å; W148-L236 HydrophobicContact CZ3-CD1 3.57Å; I149-L236 HydrophobicContact CD1-CD1 4.08Å; I149-L236 HydrophobicContact CG1-CD1 3.93Å; L177-L236 HydrophobicContact CD1-CD1 3.86Å; L177-L236 HydrophobicContact CD1-CG 4.5Å; T193-L236 VanDerWaalsContact OG1-C 3.28Å; T193-L236 WeakPolarHBondContact OG1-CA 3.42Å; T193-L236 PolarHBondContact OG1-O 2.91Å; H203-L236 PolarHBondContact CD2-O 2.73Å; G206-L236 WeakPolarHBondContact O-CD2 2.98Å; I207-L236 HydrophobicContact CG1-CD1 4.11Å; I207-L236 HydrophobicContact CG1-CD2 4.27Å; I234-L236 HydrophobicContact CG2-CD2 3.67Å; I234-L236 HydrophobicContact CG2-CG 4.29Å
237	V	98.9	Very high	98.4	Very high	5 Å²	5	13 Å²	13	3%	0.03	7%	0.068	C	C	.	.			trans	-139.1	83.6	-178.4	-164.9	0	0	0	0	108.9	L142 I145 Y146 N239 P240 F243	L142-V237 HydrophobicContact CD1-CB 4.18Å; L142-V237 HydrophobicContact CD1-CG1 3.84Å; L142-V237 HydrophobicContact CD1-CG2 4.08Å; I145-V237 HydrophobicContact CD1-CG2 4.04Å; I145-V237 HydrophobicContact CG2-CG2 3.96Å; Y146-V237 HydrophobicContact CE1-CG2 4.47Å; V237-N239 VanDerWaalsContact C-N 3.27Å; V237-N239 PolarHBondContact O-N 3.4Å; V237-P240 HydrophobicContact CG1-CB 4.21Å; V237-F243 HydrophobicContact CG1-CB 3.8Å; V237-F243 HydrophobicContact CG1-CD1 3.91Å; V237-F243 HydrophobicContact CG1-CG 3.99Å
238	T	98.9	Very high	98.3	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.091	C	C	.	.	S	Bend	trans	-67.4	-26.9	-179.4	-59.8	0	0	0	0	113.3	D192 T193 I195 E235 P240 I306	D192-T238 WeakPolarHBondContact CB-OG1 3.29Å; T193-T238 PolarHBondContact O-N 3.05Å; T193-T238 VanDerWaalsContact O-N 3.16Å; T193-T238 PolarHBondContact O-OG1 2.83Å; I195-T238 HydrophobicContact CB-CG2 3.76Å; I195-T238 HydrophobicContact CD1-CG2 4.19Å; I195-T238 HydrophobicContact CG1-CG2 3.8Å; E235-T238 VanDerWaalsContact CD-OG1 3.25Å; E235-T238 WeakPolarHBondContact OE2-CB 3.31Å; E235-T238 WeakPolarHBondContact OE2-CG2 3.22Å; E235-T238 PolarHBondContact OE2-OG1 3.13Å; T238-P240 WeakPolarHBondContact O-CD 3.44Å; T238-I306 HydrophobicContact CG2-CD1 3.67Å
239	N	98.9	Very high	98.4	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.081	C	C	.	.			trans	-120.6	72.3	177.9	-176.3	0.1	0	0	0	111	G194 I195 V237 D241 G242 F243 R254 K255 N256 L270	G194-N239 WeakPolarHBondContact O-CB 3.41Å; G194-N239 PolarHBondContact O-N 2.8Å; I195-N239 WeakPolarHBondContact O-CB 3.09Å; I195-N239 PolarHBondContact O-ND2 3.09Å; V237-N239 VanDerWaalsContact C-N 3.27Å; V237-N239 PolarHBondContact O-N 3.4Å; N239-D241 VanDerWaalsContact C-N 3.31Å; N239-D241 PolarHBondContact O-N 3.22Å; N239-G242 PolarHBondContact O-N 3.45Å; N239-G242 WeakPolarHBondContact OD1-CA 3.29Å; N239-G242 PolarHBondContact OD1-N 2.9Å; N239-F243 VanDerWaalsContact O-CB 3.3Å; N239-F243 WeakPolarHBondContact O-CB 3.3Å; N239-F243 PolarHBondContact O-N 3.4Å; N239-R254 PolarHBondContact ND2-O 3.04Å; N239-K255 VanDerWaalsContact ND2-C 3.28Å; N239-K255 PolarHBondContact ND2-O 2.6Å; N239-N256 WeakPolarHBondContact OD1-CA 3.14Å; N239-L270 HydrophobicContact CB-CD1 3.78Å
240	P	98.9	Very high	98.5	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-65.5	-32.9	-171.9	27.3	-35.7	0	0	0	112.8	L142 Y146 R172 I174 V237 T238 F243 A244	L142-P240 HydrophobicContact CD1-CB 3.99Å; L142-P240 HydrophobicContact CD2-CB 4.03Å; Y146-P240 WeakPolarHBondContact OH-CB 3.29Å; R172-P240 HydrophobicContact CB-CB 4.35Å; R172-P240 HydrophobicContact CB-CG 4.36Å; I174-P240 HydrophobicContact CG1-CG 4.47Å; V237-P240 HydrophobicContact CG1-CB 4.21Å; T238-P240 WeakPolarHBondContact O-CD 3.44Å; P240-F243 PolarHBondContact O-N 3.07Å; P240-A244 WeakPolarHBondContact O-CB 3.33Å; P240-A244 PolarHBondContact O-N 3.35Å
241	D	98.9	Very high	98.5	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-70.6	-46.9	178.7	-60.2	-14.3	0	0	0	111.7	S168 F169 E170 R172 N239 F243 F245 K257	S168-D241 VanDerWaalsContact CB-CG 3.49Å; S168-D241 VanDerWaalsContact CB-OD1 3.3Å; S168-D241 WeakPolarHBondContact CB-OD1 3.39Å; S168-D241 VanDerWaalsContact CB-OD2 3.27Å; S168-D241 WeakPolarHBondContact CB-OD2 3.22Å; S168-D241 PolarHBondContact OG-OD1 3.36Å; S168-D241 PolarHBondContact OG-OD2 3.48Å; S168-D241 VanDerWaalsContact OG-OD2 3.11Å; F169-D241 PolarHBondContact N-OD2 3.41Å; F169-D241 VanDerWaalsContact N-OD2 3.16Å; E170-D241 WeakPolarHBondContact CB-OD2 3.01Å; E170-D241 HydrophobicContact CG-CB 4.32Å; E170-D241 PolarHBondContact N-OD2 3.18Å; R172-D241 IonicContact CZ-OD1 3.76Å; R172-D241 IonicContact NH1-OD1 3.72Å; R172-D241 PolarHBondContact NH1-OD1 2.94Å; N239-D241 VanDerWaalsContact C-N 3.31Å; N239-D241 PolarHBondContact O-N 3.22Å; D241-F243 VanDerWaalsContact C-N 3.3Å; D241-F243 PolarHBondContact O-N 3.03Å; D241-F245 WeakPolarHBondContact O-CB 3.36Å; D241-F245 PolarHBondContact O-N 3.42Å; D241-K257 HydrophobicContact CB-CB 3.76Å; D241-K257 HydrophobicContact CB-CG 3.65Å
242	G	98.9	Very high	98.5	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-59.7	-44.9	173.7	0	0	0	0	0	110.7	S197 N239 F245 T246	S197-G242 WeakPolarHBondContact CB-O 3.28Å; N239-G242 PolarHBondContact O-N 3.45Å; N239-G242 WeakPolarHBondContact OD1-CA 3.29Å; N239-G242 PolarHBondContact OD1-N 2.9Å; G242-F245 CarbonylContact O-C 2.95Å; G242-F245 WeakPolarHBondContact O-CA 3.43Å; G242-F245 WeakPolarHBondContact O-CB 3.35Å; G242-F245 PolarHBondContact O-N 3.28Å; G242-F245 VanDerWaalsContact O-N 3.09Å; G242-T246 WeakPolarHBondContact O-CG2 3.26Å; G242-T246 PolarHBondContact O-N 2.69Å
243	F	98.9	Very high	98.5	Very high	4 Å²	4	14.6 Å²	14.6	2%	0.018	8%	0.078	C	C	.	.	H	α-helix	trans	-62.2	-48.3	-178.9	-173.2	-115.4	0	0	0	111.5	H140 L142 I145 W200 H203 V237 N239 P240 D241 F245 T246 H247	H140-F243 VanDerWaalsContact O-CZ 3.27Å; H140-F243 WeakPolarHBondContact O-CZ 3.29Å; L142-F243 HydrophobicContact CB-CD1 4.03Å; L142-F243 HydrophobicContact CB-CE1 4.39Å; L142-F243 HydrophobicContact CD1-CD1 4.08Å; I145-F243 HydrophobicContact CD1-CE1 3.61Å; I145-F243 HydrophobicContact CD1-CZ 3.91Å; W200-F243 AromaticContact CD1-CE2 3.59Å; W200-F243 HydrophobicContact CG-CE2 4.2Å; W200-F243 AromaticContact NE1-CD2 3.87Å; W200-F243 AromaticContact NE1-CE2 3.57Å; H203-F243 AromaticContact CD2-CD2 3.89Å; H203-F243 AromaticContact CD2-CE2 3.95Å; H203-F243 AromaticContact CE1-CD2 3.57Å; H203-F243 AromaticContact CE1-CE2 3.86Å; H203-F243 AromaticContact CG-CE2 3.96Å; H203-F243 AromaticContact ND1-CE2 3.92Å; H203-F243 AromaticContact NE2-CD2 3.4Å; H203-F243 WeakPolarHBondContact NE2-CD2 3.23Å; H203-F243 AromaticContact NE2-CE2 3.88Å; H203-F243 AromaticContact NE2-CG 3.79Å; V237-F243 HydrophobicContact CG1-CB 3.8Å; V237-F243 HydrophobicContact CG1-CD1 3.91Å; V237-F243 HydrophobicContact CG1-CG 3.99Å; N239-F243 VanDerWaalsContact O-CB 3.3Å; N239-F243 WeakPolarHBondContact O-CB 3.3Å; N239-F243 PolarHBondContact O-N 3.4Å; P240-F243 PolarHBondContact O-N 3.07Å; D241-F243 VanDerWaalsContact C-N 3.3Å; D241-F243 PolarHBondContact O-N 3.03Å; F243-F245 PolarHBondContact O-N 3.48Å; F243-T246 PolarHBondContact O-N 3.24Å; F243-T246 PolarHBondContact O-OG1 2.95Å; F243-H247 AromaticContact CE1-NE2 3.68Å; F243-H247 AromaticContact CE2-NE2 3.59Å; F243-H247 AromaticContact CZ-CD2 3.91Å; F243-H247 AromaticContact CZ-NE2 3.22Å; F243-H247 WeakPolarHBondContact CZ-NE2 3.09Å; F243-H247 PolarHBondContact O-CD2 2.87Å; F243-H247 PolarHBondContact O-N 3.33Å
244	A	98.8	Very high	98.4	Very high	12 Å²	12	15.4 Å²	15.4	10%	0.099	8%	0.081	C	C	.	.	H	α-helix	trans	-57.7	-37.2	172.9	0	0	0	0	0	112.4	L142 P240 T246 H247 S248	L142-A244 HydrophobicContact CD2-CB 4.13Å; P240-A244 WeakPolarHBondContact O-CB 3.33Å; P240-A244 PolarHBondContact O-N 3.35Å; A244-T246 VanDerWaalsContact C-N 3.34Å; A244-T246 PolarHBondContact O-N 3.38Å; A244-H247 PolarHBondContact O-N 2.93Å; A244-S248 WeakPolarHBondContact O-CB 3.48Å; A244-S248 PolarHBondContact O-N 2.89Å; A244-S248 VanDerWaalsContact O-N 3.07Å; A244-S248 PolarHBondContact O-OG 3.44Å
245	F	98.7	Very high	98.4	Very high	45 Å²	45	15.5 Å²	15.5	20%	0.197	8%	0.081	C	C	.	.	H	α-helix	trans	-67.3	-32	176.4	-166.4	-109.6	0	0	0	113	D241 G242 F243 H247 S248 M249 N250 W253 K257	D241-F245 WeakPolarHBondContact O-CB 3.36Å; D241-F245 PolarHBondContact O-N 3.42Å; G242-F245 CarbonylContact O-C 2.95Å; G242-F245 WeakPolarHBondContact O-CA 3.43Å; G242-F245 WeakPolarHBondContact O-CB 3.35Å; G242-F245 PolarHBondContact O-N 3.28Å; G242-F245 VanDerWaalsContact O-N 3.09Å; F243-F245 PolarHBondContact O-N 3.48Å; F245-H247 VanDerWaalsContact C-N 3.33Å; F245-H247 PolarHBondContact O-N 3.03Å; F245-S248 WeakPolarHBondContact CA-OG 3.29Å; F245-S248 PolarHBondContact O-N 3.16Å; F245-M249 HydrophobicContact CD2-CB 3.77Å; F245-M249 HydrophobicContact CD2-CG 4.42Å; F245-M249 HydrophobicContact CE1-CB 4.3Å; F245-M249 HydrophobicContact CE1-CG 4.36Å; F245-M249 HydrophobicContact CE2-CB 3.39Å; F245-M249 HydrophobicContact CE2-CG 3.55Å; F245-M249 HydrophobicContact CG-CB 4.36Å; F245-M249 HydrophobicContact CZ-CB 3.69Å; F245-M249 HydrophobicContact CZ-CG 3.51Å; F245-M249 PolarHBondContact O-N 3.26Å; F245-N250 HydrophobicContact CD1-CB 4.12Å; F245-N250 HydrophobicContact CE1-CB 3.62Å; F245-N250 HydrophobicContact CZ-CB 4.34Å; F245-N250 PolarHBondContact O-N 2.65Å; F245-W253 HydrophobicContact CD1-CB 3.73Å; F245-W253 AromaticContact CD1-CD1 3.94Å; F245-W253 AromaticContact CD1-CD2 3.66Å; F245-W253 HydrophobicContact CD1-CD2 3.66Å; F245-W253 HydrophobicContact CD1-CE3 4.1Å; F245-W253 AromaticContact CD1-CG 3.49Å; F245-W253 HydrophobicContact CD1-CG 3.49Å; F245-W253 VanDerWaalsContact CD1-CG 3.49Å; F245-W253 HydrophobicContact CE1-CB 4.26Å; F245-W253 AromaticContact CE1-CD2 3.71Å; F245-W253 HydrophobicContact CE1-CD2 3.71Å; F245-W253 AromaticContact CE1-CE3 3.65Å; F245-W253 HydrophobicContact CE1-CE3 3.65Å; F245-W253 AromaticContact CE1-CG 4Å; F245-W253 HydrophobicContact CE1-CG 4Å; F245-W253 HydrophobicContact CE1-CZ3 4.28Å; F245-K257 HydrophobicContact CB-CD 3.95Å; F245-K257 HydrophobicContact CB-CG 4.41Å; F245-K257 HydrophobicContact CD1-CD 4.1Å; F245-K257 HydrophobicContact CD2-CD 4.24Å; F245-K257 HydrophobicContact CG-CD 3.85Å
246	T	98.8	Very high	98.4	Very high	5 Å²	5	15.5 Å²	15.5	3%	0.031	8%	0.081	C	C	.	.	H	α-helix	trans	-67.2	-31.4	174.5	65	0	0	0	0	113.7	W200 G242 F243 A244 N250 R251 W253	W200-T246 PolarHBondContact NE1-OG1 3.39Å; G242-T246 WeakPolarHBondContact O-CG2 3.26Å; G242-T246 PolarHBondContact O-N 2.69Å; F243-T246 PolarHBondContact O-N 3.24Å; F243-T246 PolarHBondContact O-OG1 2.95Å; A244-T246 VanDerWaalsContact C-N 3.34Å; A244-T246 PolarHBondContact O-N 3.38Å; T246-N250 VanDerWaalsContact CA-O 3.31Å; T246-N250 WeakPolarHBondContact CA-O 3.39Å; T246-R251 WeakPolarHBondContact O-CA 3.45Å; T246-W253 HydrophobicContact CG2-CB 4.03Å
247	H	98.1	Very high	98.4	Very high	29 Å²	29	16 Å²	16	13%	0.134	8%	0.083	C	C	.	.	H	α-helix	trans	-80.9	-32.7	174.9	-75.9	-82	0	0	0	113.3	Q34 H140 W200 F243 A244 F245	Q34-H247 PolarHBondContact NE2-O 3.27Å; H140-H247 PolarHBondContact O-CE1 2.96Å; H140-H247 PolarHBondContact O-NE2 3.39Å; W200-H247 AromaticContact CE2-CE1 3.95Å; W200-H247 AromaticContact CE2-NE2 3.73Å; W200-H247 AromaticContact CH2-CE1 3.26Å; W200-H247 WeakPolarHBondContact CH2-CE1 3.24Å; W200-H247 AromaticContact CH2-ND1 3.44Å; W200-H247 WeakPolarHBondContact CH2-ND1 3.22Å; W200-H247 AromaticContact CH2-NE2 3.86Å; W200-H247 AromaticContact CZ2-CD2 3.7Å; W200-H247 AromaticContact CZ2-CE1 3.31Å; W200-H247 WeakPolarHBondContact CZ2-CE1 3.11Å; W200-H247 AromaticContact CZ2-CG 3.8Å; W200-H247 AromaticContact CZ2-ND1 3.56Å; W200-H247 AromaticContact CZ2-NE2 3.41Å; W200-H247 WeakPolarHBondContact CZ2-NE2 3.24Å; W200-H247 AromaticContact CZ3-CE1 3.84Å; F243-H247 AromaticContact CE1-NE2 3.68Å; F243-H247 AromaticContact CE2-NE2 3.59Å; F243-H247 AromaticContact CZ-CD2 3.91Å; F243-H247 AromaticContact CZ-NE2 3.22Å; F243-H247 WeakPolarHBondContact CZ-NE2 3.09Å; F243-H247 PolarHBondContact O-CD2 2.87Å; F243-H247 PolarHBondContact O-N 3.33Å; A244-H247 PolarHBondContact O-N 2.93Å; F245-H247 VanDerWaalsContact C-N 3.33Å; F245-H247 PolarHBondContact O-N 3.03Å
248	S	96.6	Very high	98.3	Very high	71 Å²	71	16.1 Å²	16.1	50%	0.497	8%	0.084	S	C	.	.	H	α-helix	trans	-94.2	-34.1	-171.9	54	0	0	0	0	114.2	Q34 A244 F245	Q34-S248 VanDerWaalsContact CG-O 3.29Å; Q34-S248 WeakPolarHBondContact CG-O 3.38Å; A244-S248 WeakPolarHBondContact O-CB 3.48Å; A244-S248 PolarHBondContact O-N 2.89Å; A244-S248 VanDerWaalsContact O-N 3.07Å; A244-S248 PolarHBondContact O-OG 3.44Å; F245-S248 WeakPolarHBondContact CA-OG 3.29Å; F245-S248 PolarHBondContact O-N 3.16Å
249	M	96.7	Very high	98.3	Very high	60 Å²	60	21.2 Å²	21.2	30%	0.296	11%	0.11	S	C	.	.	T	Hydrogen-bonded Turn	trans	-136.6	-59.1	-167.9	-171.9	61.1	63.1	0	0	113.8	G33 M35 F245	G33-M249 VanDerWaalsContact O-SD 3.39Å; M35-M249 PolarHBondContact N-O 2.98Å; F245-M249 HydrophobicContact CD2-CB 3.77Å; F245-M249 HydrophobicContact CD2-CG 4.42Å; F245-M249 HydrophobicContact CE1-CB 4.3Å; F245-M249 HydrophobicContact CE1-CG 4.36Å; F245-M249 HydrophobicContact CE2-CB 3.39Å; F245-M249 HydrophobicContact CE2-CG 3.55Å; F245-M249 HydrophobicContact CG-CB 4.36Å; F245-M249 HydrophobicContact CZ-CB 3.69Å; F245-M249 HydrophobicContact CZ-CG 3.51Å; F245-M249 PolarHBondContact O-N 3.26Å
250	N	97.7	Very high	98	Very high	21 Å²	21	26.4 Å²	26.4	11%	0.112	13%	0.13	C	C	.	.			trans	-132.7	99.1	-172.4	-180	-4	0	0	0	111.5	M35 F37 F245 T246 L252 W253	M35-N250 HydrophobicContact CG-CB 4.19Å; M35-N250 HydrophobicContact SD-CB 3.64Å; M35-N250 PolarHBondContact SD-ND2 3.21Å; M35-N250 VanDerWaalsContact SD-ND2 3.4Å; F37-N250 WeakPolarHBondContact CZ-OD1 3.28Å; F245-N250 HydrophobicContact CD1-CB 4.12Å; F245-N250 HydrophobicContact CE1-CB 3.62Å; F245-N250 HydrophobicContact CZ-CB 4.34Å; F245-N250 PolarHBondContact O-N 2.65Å; T246-N250 VanDerWaalsContact CA-O 3.31Å; T246-N250 WeakPolarHBondContact CA-O 3.39Å; N250-L252 PolarHBondContact O-N 3.48Å; N250-L252 VanDerWaalsContact O-N 3.07Å; N250-L252 PolarHBondContact OD1-N 3.33Å; N250-W253 HydrophobicContact CB-CB 4.3Å; N250-W253 VanDerWaalsContact O-CB 3.26Å; N250-W253 WeakPolarHBondContact O-CB 3.45Å; N250-W253 PolarHBondContact O-N 2.64Å; N250-W253 PolarHBondContact OD1-N 3.15Å
251	R	98.3	Very high	97.7	Very high	8 Å²	8	33 Å²	33	3%	0.03	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-24.9	-178.9	179.7	56.8	-179.9	84	-0.6	114.8	L114 E117 R198 T246 F406 L407	L114-R251 HydrophobicContact CD2-CB 4.05Å; L114-R251 HydrophobicContact CD2-CG 3.44Å; L114-R251 VanDerWaalsContact CD2-CG 3.44Å; E117-R251 IonicContact OE1-CZ 3.88Å; E117-R251 IonicContact OE1-NE 3.58Å; E117-R251 PolarHBondContact OE1-NE 3.45Å; E117-R251 IonicContact OE1-NH2 2.9Å; E117-R251 IonicContact OE2-CZ 3.1Å; E117-R251 IonicContact OE2-NE 3.08Å; E117-R251 PolarHBondContact OE2-NE 3.29Å; E117-R251 IonicContact OE2-NH2 3.19Å; E117-R251 PolarHBondContact OE2-NH2 2.94Å; R198-R251 PolarHBondContact O-NH1 3.43Å; T246-R251 WeakPolarHBondContact O-CA 3.45Å; R251-F406 PolarHBondContact NH2-O 3.04Å; R251-L407 HydrophobicContact CG-CD2 4.11Å
252	L	98	Very high	97.3	Very high	5 Å²	5	37.3 Å²	37.3	3%	0.026	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	10.9	-178.3	-58	-176.4	0	0	0	113.3	F37 W70 I110 R198 N250 L407	F37-L252 HydrophobicContact CD1-CD1 3.96Å; F37-L252 HydrophobicContact CE1-CD1 3.66Å; F37-L252 HydrophobicContact CE1-CG 4.17Å; F37-L252 HydrophobicContact CZ-CB 4.41Å; F37-L252 HydrophobicContact CZ-CD1 4.11Å; F37-L252 HydrophobicContact CZ-CG 4.11Å; W70-L252 HydrophobicContact CZ2-CD1 4.06Å; W70-L252 HydrophobicContact CZ2-CD2 3.81Å; I110-L252 HydrophobicContact CD1-CD1 4.32Å; I110-L252 HydrophobicContact CG2-CD1 4.48Å; R198-L252 WeakPolarHBondContact CD-O 3.44Å; R198-L252 PolarHBondContact NH1-O 3.35Å; N250-L252 PolarHBondContact O-N 3.48Å; N250-L252 VanDerWaalsContact O-N 3.07Å; N250-L252 PolarHBondContact OD1-N 3.33Å; L252-L407 HydrophobicContact CD2-CD2 4.27Å
253	W	98.4	Very high	97	Very high	34 Å²	34	39.8 Å²	39.8	13%	0.129	23%	0.231	C	C	.	.			trans	-65.2	132	174.6	-169.1	-97.7	0	0	0	111.3	S197 R198 F245 T246 N250 K255 N256 K257 I266	S197-W253 PolarHBondContact OG-O 3.41Å; R198-W253 VanDerWaalsContact CB-O 3.25Å; R198-W253 WeakPolarHBondContact CB-O 3.43Å; R198-W253 PolarHBondContact N-O 3.22Å; F245-W253 HydrophobicContact CD1-CB 3.73Å; F245-W253 AromaticContact CD1-CD1 3.94Å; F245-W253 AromaticContact CD1-CD2 3.66Å; F245-W253 HydrophobicContact CD1-CD2 3.66Å; F245-W253 HydrophobicContact CD1-CE3 4.1Å; F245-W253 AromaticContact CD1-CG 3.49Å; F245-W253 HydrophobicContact CD1-CG 3.49Å; F245-W253 VanDerWaalsContact CD1-CG 3.49Å; F245-W253 HydrophobicContact CE1-CB 4.26Å; F245-W253 AromaticContact CE1-CD2 3.71Å; F245-W253 HydrophobicContact CE1-CD2 3.71Å; F245-W253 AromaticContact CE1-CE3 3.65Å; F245-W253 HydrophobicContact CE1-CE3 3.65Å; F245-W253 AromaticContact CE1-CG 4Å; F245-W253 HydrophobicContact CE1-CG 4Å; F245-W253 HydrophobicContact CE1-CZ3 4.28Å; T246-W253 HydrophobicContact CG2-CB 4.03Å; N250-W253 HydrophobicContact CB-CB 4.3Å; N250-W253 VanDerWaalsContact O-CB 3.26Å; N250-W253 WeakPolarHBondContact O-CB 3.45Å; N250-W253 PolarHBondContact O-N 2.64Å; N250-W253 PolarHBondContact OD1-N 3.15Å; W253-K255 HydrophobicContact CZ2-CB 4.39Å; W253-K255 PolarHBondContact NE1-O 3.18Å; W253-N256 WeakPolarHBondContact CZ2-O 3.37Å; W253-N256 PolarHBondContact NE1-O 3.36Å; W253-N256 VanDerWaalsContact NE1-O 3.08Å; W253-K257 HydrophobicContact CZ2-CD 4.08Å; W253-I266 HydrophobicContact CH2-CB 3.98Å; W253-I266 HydrophobicContact CH2-CG2 4.35Å; W253-I266 WeakPolarHBondContact CH2-O 3.38Å; W253-I266 HydrophobicContact CZ2-CB 4.19Å; W253-I266 HydrophobicContact CZ2-CG2 4.07Å; W253-I266 WeakPolarHBondContact CZ2-O 3.25Å
254	R	98.4	Very high	96.6	Very high	21 Å²	21	48.4 Å²	48.4	8%	0.079	27%	0.268	C	S	.	.			trans	-103.8	-52.3	-177.9	178.6	-173.6	167.7	81.3	-4.7	112.3	H196 S197 E199 N239 D269 E290	H196-R254 WeakPolarHBondContact CA-O 3.32Å; H196-R254 HydrophobicContact CB-CG 3.93Å; H196-R254 PolarHBondContact CE1-NH1 3.42Å; H196-R254 PolarHBondContact CE1-NH2 2.79Å; H196-R254 PolarHBondContact ND1-NH1 2.96Å; H196-R254 PolarHBondContact NE2-NH2 3.24Å; S197-R254 PolarHBondContact N-O 2.94Å; S197-R254 PolarHBondContact OG-O 3.26Å; S197-R254 VanDerWaalsContact OG-O 3.07Å; E199-R254 IonicContact OE1-NH1 2.67Å; N239-R254 PolarHBondContact ND2-O 3.04Å; R254-D269 IonicContact CZ-OD2 3.97Å; R254-D269 IonicContact NE-OD2 3.22Å; R254-D269 PolarHBondContact NE-OD2 2.62Å; R254-D269 VanDerWaalsContact NE-OD2 3.08Å; R254-D269 IonicContact NH2-OD1 3.65Å; R254-D269 IonicContact NH2-OD2 3.56Å; R254-D269 PolarHBondContact NH2-OD2 3.31Å; R254-E290 WeakPolarHBondContact CB-OE2 3.37Å
255	K	98.6	Very high	96.4	Very high	3 Å²	3	49 Å²	49	1%	0.013	27%	0.272	C	S	.	.	S	Bend	trans	-68.7	177.3	-169.1	-64.1	-166.5	-64	174.2	0	113.2	S197 N239 W253 I266 G267 V268 P287 S289	S197-K255 PolarHBondContact OG-O 2.77Å; N239-K255 VanDerWaalsContact ND2-C 3.28Å; N239-K255 PolarHBondContact ND2-O 2.6Å; W253-K255 HydrophobicContact CZ2-CB 4.39Å; W253-K255 PolarHBondContact NE1-O 3.18Å; K255-I266 VanDerWaalsContact CE-O 3.26Å; K255-I266 WeakPolarHBondContact CE-O 3.27Å; K255-I266 PolarHBondContact NZ-O 3.02Å; K255-I266 VanDerWaalsContact NZ-O 3.09Å; K255-G267 WeakPolarHBondContact CE-O 3.39Å; K255-G267 PolarHBondContact NZ-O 3.04Å; K255-V268 WeakPolarHBondContact CA-O 3.29Å; K255-V268 VanDerWaalsContact CB-O 3.28Å; K255-V268 WeakPolarHBondContact CB-O 3.48Å; K255-P287 PolarHBondContact NZ-O 3.38Å; K255-S289 WeakPolarHBondContact CD-O 3.42Å; K255-S289 WeakPolarHBondContact CE-O 3.33Å; K255-S289 PolarHBondContact NZ-O 2.87Å
256	N	98.5	Very high	96.3	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.277	C	S	.	.			trans	-75.2	-167.6	164.4	77	-11.4	0	0	0	111.2	N239 W253 S258 G267 V268 L270 E300 E302	N239-N256 WeakPolarHBondContact OD1-CA 3.14Å; W253-N256 WeakPolarHBondContact CZ2-O 3.37Å; W253-N256 PolarHBondContact NE1-O 3.36Å; W253-N256 VanDerWaalsContact NE1-O 3.08Å; N256-S258 PolarHBondContact OD1-N 3.09Å; N256-S258 PolarHBondContact OD1-OG 2.7Å; N256-G267 WeakPolarHBondContact O-CA 3.43Å; N256-G267 WeakPolarHBondContact OD1-CA 3.41Å; N256-V268 PolarHBondContact N-O 2.57Å; N256-V268 VanDerWaalsContact N-O 3.14Å; N256-V268 PolarHBondContact OD1-N 2.9Å; N256-V268 PolarHBondContact OD1-O 3.5Å; N256-L270 HydrophobicContact CB-CD1 4.18Å; N256-L270 HydrophobicContact CB-CD2 3.81Å; N256-L270 HydrophobicContact CB-CG 4.02Å; N256-E300 PolarHBondContact ND2-OE2 3.33Å; N256-E300 PolarHBondContact OD1-OE2 2.74Å; N256-E302 PolarHBondContact ND2-OE2 3.04Å
257	K	98.3	Very high	96.2	Very high	12 Å²	12	49.7 Å²	49.7	5%	0.052	28%	0.278	C	S	.	.			trans	-113.9	19.5	-177.3	-65.8	-61	-58	179.9	0	114.2	E170 D241 F245 W253 I259 I266	E170-K257 HydrophobicContact CG-CB 4.21Å; E170-K257 WeakPolarHBondContact OE1-CB 3.45Å; D241-K257 HydrophobicContact CB-CB 3.76Å; D241-K257 HydrophobicContact CB-CG 3.65Å; F245-K257 HydrophobicContact CB-CD 3.95Å; F245-K257 HydrophobicContact CB-CG 4.41Å; F245-K257 HydrophobicContact CD1-CD 4.1Å; F245-K257 HydrophobicContact CD2-CD 4.24Å; F245-K257 HydrophobicContact CG-CD 3.85Å; W253-K257 HydrophobicContact CZ2-CD 4.08Å; K257-I259 PolarHBondContact O-N 3.27Å; K257-I266 HydrophobicContact CD-CG2 4.39Å
258	S	97.9	Very high	96.3	Very high	7 Å²	7	48.4 Å²	48.4	5%	0.049	27%	0.271	C	S	.	.			trans	-62.4	137.1	-179.5	65.8	0	0	0	0	112.9	N256 G267 E300	N256-S258 PolarHBondContact OD1-N 3.09Å; N256-S258 PolarHBondContact OD1-OG 2.7Å; S258-G267 PolarHBondContact O-N 2.74Å; S258-E300 WeakPolarHBondContact CB-OE2 3.42Å; S258-E300 PolarHBondContact OG-OE2 2.9Å
259	I	97.4	Very high	96.4	Very high	107 Å²	107	45 Å²	45	55%	0.549	25%	0.248	S	C	.	.			trans	-115.4	146.1	174.4	62.4	169.9	0	0	0	110.1	F169 K257 I266	F169-I259 HydrophobicContact CE1-CB 4.48Å; F169-I259 HydrophobicContact CE1-CG1 3.69Å; F169-I259 HydrophobicContact CZ-CB 4.34Å; F169-I259 HydrophobicContact CZ-CG1 3.48Å; F169-I259 VanDerWaalsContact CZ-CG1 3.48Å; F169-I259 VanDerWaalsContact CZ-N 3.29Å; K257-I259 PolarHBondContact O-N 3.27Å; I259-I266 HydrophobicContact CG2-CG1 4.15Å; I259-I266 HydrophobicContact CG2-CG2 4.17Å
260	R	93.3	Very high	96.5	Very high	110 Å²	110	42.1 Å²	42.1	42%	0.415	23%	0.234	S	C	.	.			trans	-131.4	134.3	177.9	-64	-172.8	72	-135.4	1.4	110.2	G262 I263	R260-G262 PolarHBondContact O-N 3.47Å; R260-I263 HydrophobicContact CB-CB 4.34Å; R260-I263 HydrophobicContact CB-CD1 4.01Å; R260-I263 HydrophobicContact CB-CG1 4.37Å; R260-I263 PolarHBondContact O-N 3.38Å; R260-I263 VanDerWaalsContact O-N 3.08Å
261	P	92.6	Very high	96.5	Very high	137 Å²	137	41.9 Å²	41.9	89%	0.89	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.5	133.2	176.9	-26.5	34.6	0	0	0	112	I263	P261-I263 VanDerWaalsContact C-N 3.27Å; P261-I263 PolarHBondContact O-N 3.09Å
262	G	91.3	Very high	96.5	Very high	93 Å²	93	41.7 Å²	41.7	96%	0.959	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.3	-0.5	-179.7	0	0	0	0	0	115.5	R260	R260-G262 PolarHBondContact O-N 3.47Å
263	I	92	Very high	96.6	Very high	52 Å²	52	41.4 Å²	41.4	27%	0.267	23%	0.23	S	C	.	.			trans	-111.7	123.6	173.9	-61.1	-178.8	0	0	0	108.8	R260 P261 C265 P287	R260-I263 HydrophobicContact CB-CB 4.34Å; R260-I263 HydrophobicContact CB-CD1 4.01Å; R260-I263 HydrophobicContact CB-CG1 4.37Å; R260-I263 PolarHBondContact O-N 3.38Å; R260-I263 VanDerWaalsContact O-N 3.08Å; P261-I263 VanDerWaalsContact C-N 3.27Å; P261-I263 PolarHBondContact O-N 3.09Å; I263-C265 HydrophobicContact CG2-CB 4.47Å; I263-C265 WeakPolarHBondContact CG2-O 3.3Å; I263-P287 HydrophobicContact CD1-CB 4.35Å; I263-P287 HydrophobicContact CD1-CG 3.91Å; I263-P287 HydrophobicContact CG1-CG 4.49Å; I263-P287 HydrophobicContact CG2-CB 3.43Å; I263-P287 VanDerWaalsContact CG2-CB 3.43Å; I263-P287 HydrophobicContact CG2-CG 3.9Å
264	F	91.3	Very high	96.6	Very high	184 Å²	184	39.8 Å²	39.8	81%	0.807	22%	0.224	S	C	*	.			trans	-83	-21.9	-178.4	73.4	-87.6	0	0	0	113.8	C288	F264-C288 WeakPolarHBondContact CZ-SG 3.39Å
265	C	93.1	Very high	96.6	Very high	26 Å²	26	45.6 Å²	45.6	18%	0.176	25%	0.25	C	C	.	.	S	Bend	trans	-86.3	145.2	177.3	-73.2	0	0	0	0	111.5	I263 P287 C288	I263-C265 HydrophobicContact CG2-CB 4.47Å; I263-C265 WeakPolarHBondContact CG2-O 3.3Å; C265-P287 HydrophobicContact CB-CB 4.37Å; C265-P287 WeakPolarHBondContact CB-O 3.08Å; C265-C288 HydrophobicContact CB-CB 3.86Å; C265-C288 WeakPolarHBondContact CB-SG 3.33Å; C265-C288 WeakPolarHBondContact SG-CA 3.36Å; C265-C288 WeakPolarHBondContact SG-CB 3.18Å; C265-C288 CovalentContact SG-SG 2.03Å; C265-C288 PolarHBondContact SG-SG 2.72Å
266	I	96.8	Very high	96.5	Very high	60 Å²	60	45.8 Å²	45.8	31%	0.308	25%	0.252	S	S	.	.			trans	-104.8	139.9	-174.3	-56.9	175.5	0	0	0	109.6	W253 K255 K257 I259	W253-I266 HydrophobicContact CH2-CB 3.98Å; W253-I266 HydrophobicContact CH2-CG2 4.35Å; W253-I266 WeakPolarHBondContact CH2-O 3.38Å; W253-I266 HydrophobicContact CZ2-CB 4.19Å; W253-I266 HydrophobicContact CZ2-CG2 4.07Å; W253-I266 WeakPolarHBondContact CZ2-O 3.25Å; K255-I266 VanDerWaalsContact CE-O 3.26Å; K255-I266 WeakPolarHBondContact CE-O 3.27Å; K255-I266 PolarHBondContact NZ-O 3.02Å; K255-I266 VanDerWaalsContact NZ-O 3.09Å; K257-I266 HydrophobicContact CD-CG2 4.39Å; I259-I266 HydrophobicContact CG2-CG1 4.15Å; I259-I266 HydrophobicContact CG2-CG2 4.17Å
267	G	98.1	Very high	96.3	Very high	4 Å²	4	47.4 Å²	47.4	4%	0.041	27%	0.268	C	S	.	.			trans	83.8	157.2	164.9	0	0	0	0	0	115.6	K255 N256 S258	K255-G267 WeakPolarHBondContact CE-O 3.39Å; K255-G267 PolarHBondContact NZ-O 3.04Å; N256-G267 WeakPolarHBondContact O-CA 3.43Å; N256-G267 WeakPolarHBondContact OD1-CA 3.41Å; S258-G267 PolarHBondContact O-N 2.74Å
268	V	98.7	Very high	96.3	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.006	28%	0.277	C	S	.	.			trans	-117.3	145.1	176.8	170.6	0	0	0	0	108.8	K255 N256 L270 N273 Y292 E300	K255-V268 WeakPolarHBondContact CA-O 3.29Å; K255-V268 VanDerWaalsContact CB-O 3.28Å; K255-V268 WeakPolarHBondContact CB-O 3.48Å; N256-V268 PolarHBondContact N-O 2.57Å; N256-V268 VanDerWaalsContact N-O 3.14Å; N256-V268 PolarHBondContact OD1-N 2.9Å; N256-V268 PolarHBondContact OD1-O 3.5Å; V268-L270 PolarHBondContact O-N 2.93Å; V268-L270 VanDerWaalsContact O-N 3.16Å; V268-N273 HydrophobicContact CG1-CB 4.02Å; V268-Y292 HydrophobicContact CB-CD1 4.4Å; V268-Y292 WeakPolarHBondContact CG1-O 3.47Å; V268-Y292 HydrophobicContact CG2-CD1 3.67Å; V268-Y292 HydrophobicContact CG2-CE1 3.66Å; V268-E300 VanDerWaalsContact CB-CD 3.46Å; V268-E300 HydrophobicContact CB-CG 3.64Å; V268-E300 HydrophobicContact CG1-CG 3.61Å; V268-E300 VanDerWaalsContact CG2-CD 3.43Å; V268-E300 HydrophobicContact CG2-CG 4.15Å; V268-E300 WeakPolarHBondContact CG2-OE1 3.5Å
269	D	98.7	Very high	96.3	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	29%	0.293	C	S	.	.			trans	-70.3	107.2	167.5	-173.2	-24.3	0	0	0	108.1	H196 R254 N271 R272 N273 E290 Y292	H196-D269 IonicContact CD2-OD1 2.97Å; H196-D269 IonicContact NE2-OD1 2.79Å; H196-D269 PolarHBondContact NE2-OD1 3.21Å; H196-D269 VanDerWaalsContact NE2-OD1 3.1Å; R254-D269 IonicContact CZ-OD2 3.97Å; R254-D269 IonicContact NE-OD2 3.22Å; R254-D269 PolarHBondContact NE-OD2 2.62Å; R254-D269 VanDerWaalsContact NE-OD2 3.08Å; R254-D269 IonicContact NH2-OD1 3.65Å; R254-D269 IonicContact NH2-OD2 3.56Å; R254-D269 PolarHBondContact NH2-OD2 3.31Å; D269-N271 PolarHBondContact O-N 3.2Å; D269-N271 WeakPolarHBondContact OD1-CA 3.43Å; D269-N271 PolarHBondContact OD1-N 2.97Å; D269-R272 HydrophobicContact CB-CB 4.02Å; D269-R272 HydrophobicContact CB-CG 3.82Å; D269-R272 PolarHBondContact O-N 2.91Å; D269-N273 PolarHBondContact O-N 2.88Å; D269-E290 WeakPolarHBondContact CB-O 3.44Å; D269-Y292 PolarHBondContact N-O 2.96Å
270	L	98.9	Very high	96.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-59.9	-29.7	-178.4	-65.6	-170.8	0	0	0	111.8	I195 N239 N256 V268 R272 N273 W274 E300 E302 V303	I195-L270 HydrophobicContact CD1-CB 3.93Å; I195-L270 HydrophobicContact CG1-CB 3.48Å; I195-L270 VanDerWaalsContact CG1-CB 3.48Å; I195-L270 HydrophobicContact CG1-CD1 4.12Å; I195-L270 HydrophobicContact CG1-CG 4.45Å; N239-L270 HydrophobicContact CB-CD1 3.78Å; N256-L270 HydrophobicContact CB-CD1 4.18Å; N256-L270 HydrophobicContact CB-CD2 3.81Å; N256-L270 HydrophobicContact CB-CG 4.02Å; V268-L270 PolarHBondContact O-N 2.93Å; V268-L270 VanDerWaalsContact O-N 3.16Å; L270-R272 PolarHBondContact O-N 2.96Å; L270-N273 PolarHBondContact O-N 3.43Å; L270-W274 PolarHBondContact O-NE1 3.01Å; L270-E300 HydrophobicContact CD2-CB 3.53Å; L270-E300 HydrophobicContact CD2-CG 3.69Å; L270-E302 HydrophobicContact CD1-CB 3.87Å; L270-E302 HydrophobicContact CD1-CG 4.22Å; L270-E302 HydrophobicContact CD2-CB 4.42Å; L270-V303 HydrophobicContact CB-CG2 4.04Å; L270-V303 HydrophobicContact CD2-CG2 4.03Å
271	N	98.7	Very high	96.1	Very high	15 Å²	15	48.1 Å²	48.1	8%	0.08	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-90.5	25.3	174.5	-158.3	18.2	0	0	0	112.7	I195 H196 D269 H323 G379 I380 T381	I195-N271 HydrophobicContact CD1-CB 4.36Å; H196-N271 VanDerWaalsContact NE2-CB 3.32Å; H196-N271 WeakPolarHBondContact NE2-CB 3.2Å; D269-N271 PolarHBondContact O-N 3.2Å; D269-N271 WeakPolarHBondContact OD1-CA 3.43Å; D269-N271 PolarHBondContact OD1-N 2.97Å; N271-H323 PolarHBondContact ND2-CE1 3.09Å; N271-H323 PolarHBondContact ND2-NE2 2.99Å; N271-H323 VanDerWaalsContact ND2-NE2 3.13Å; N271-G379 CarbonylContact C-O 3.56Å; N271-I380 WeakPolarHBondContact O-CG2 3.31Å; N271-I380 WeakPolarHBondContact OD1-CA 3.4Å; N271-I380 VanDerWaalsContact OD1-CB 3.29Å; N271-I380 WeakPolarHBondContact OD1-CB 3.31Å; N271-T381 PolarHBondContact OD1-N 3.31Å; N271-T381 PolarHBondContact OD1-OG1 3.27Å
272	R	98.6	Very high	95.9	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.015	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-127.9	-2.2	163.5	-63.4	-61.6	-175.1	-81.3	-5.3	112.8	D269 L270 G282 H293 Y375 S378 G379	D269-R272 HydrophobicContact CB-CB 4.02Å; D269-R272 HydrophobicContact CB-CG 3.82Å; D269-R272 PolarHBondContact O-N 2.91Å; L270-R272 PolarHBondContact O-N 2.96Å; R272-G282 PolarHBondContact NE-O 2.97Å; R272-G282 PolarHBondContact NH2-O 2.79Å; R272-H293 HydrophobicContact CB-CB 3.99Å; R272-H293 WeakPolarHBondContact O-CB 3.33Å; R272-Y375 PolarHBondContact NH2-OH 2.94Å; R272-S378 WeakPolarHBondContact CD-O 3.49Å; R272-G379 CarbonylContact C-O 3.47Å; R272-G379 WeakPolarHBondContact CA-O 3.43Å; R272-G379 PolarHBondContact N-O 2.65Å
273	N	98.8	Very high	96	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.23	C	C	.	.			trans	-94.2	0.9	-171.7	-164.3	-114.1	0	0	0	113.6	V268 D269 L270 H293 S296 P297 Q298 S299 E300 V303 G379	V268-N273 HydrophobicContact CG1-CB 4.02Å; D269-N273 PolarHBondContact O-N 2.88Å; L270-N273 PolarHBondContact O-N 3.43Å; N273-H293 PolarHBondContact ND2-O 3.08Å; N273-S296 PolarHBondContact ND2-O 3.1Å; N273-S296 VanDerWaalsContact ND2-O 3.16Å; N273-P297 CarbonylContact O-C 3.48Å; N273-P297 WeakPolarHBondContact O-CA 3.19Å; N273-Q298 PolarHBondContact O-N 3.14Å; N273-Q298 VanDerWaalsContact OD1-CA 3.23Å; N273-Q298 WeakPolarHBondContact OD1-CA 3.37Å; N273-Q298 PolarHBondContact OD1-N 2.97Å; N273-S299 PolarHBondContact ND2-OG 3.16Å; N273-S299 PolarHBondContact OD1-N 2.97Å; N273-E300 HydrophobicContact CB-CG 4.33Å; N273-E300 PolarHBondContact OD1-N 3.19Å; N273-E300 VanDerWaalsContact OD1-N 3.12Å; N273-V303 HydrophobicContact CB-CG2 4.38Å; N273-G379 PolarHBondContact N-O 3.5Å
274	W	98.7	Very high	96	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	-80.4	154.5	-177.2	-58.1	76.1	0	0	0	112.1	I195 L270 S276 F278 V303 I306 V307 G379 T381 W384	I195-W274 HydrophobicContact CD1-CZ2 4.23Å; L270-W274 PolarHBondContact O-NE1 3.01Å; W274-S276 VanDerWaalsContact C-N 3.31Å; W274-S276 PolarHBondContact O-N 2.95Å; W274-F278 WeakPolarHBondContact O-CB 3.4Å; W274-V303 HydrophobicContact CD2-CG1 3.76Å; W274-V303 HydrophobicContact CE3-CG1 4.03Å; W274-V303 HydrophobicContact CG-CG1 4.23Å; W274-V303 HydrophobicContact CH2-CG1 4.3Å; W274-V303 HydrophobicContact CZ2-CG1 4.03Å; W274-V303 HydrophobicContact CZ2-CG2 4.24Å; W274-V303 HydrophobicContact CZ3-CG1 4.29Å; W274-I306 HydrophobicContact CH2-CB 3.98Å; W274-I306 HydrophobicContact CH2-CD1 4.18Å; W274-I306 HydrophobicContact CH2-CG2 3.78Å; W274-I306 HydrophobicContact CZ2-CD1 4.32Å; W274-I306 HydrophobicContact CZ3-CG2 4.44Å; W274-V307 HydrophobicContact CE3-CG2 3.82Å; W274-V307 HydrophobicContact CH2-CG2 4.4Å; W274-V307 HydrophobicContact CZ3-CG2 3.49Å; W274-V307 VanDerWaalsContact CZ3-CG2 3.49Å; W274-G379 WeakPolarHBondContact CB-O 3.24Å; W274-G379 PolarHBondContact N-O 2.95Å; W274-G379 VanDerWaalsContact O-CA 3.27Å; W274-G379 WeakPolarHBondContact O-CA 3.49Å; W274-T381 HydrophobicContact CH2-CG2 3.84Å; W274-T381 HydrophobicContact CZ2-CG2 3.61Å; W274-T381 WeakPolarHBondContact CZ2-OG1 3.44Å; W274-T381 HydrophobicContact CZ3-CG2 4.4Å; W274-T381 PolarHBondContact NE1-OG1 3.03Å; W274-T381 VanDerWaalsContact NE1-OG1 3.14Å; W274-W384 HydrophobicContact CB-CB 3.89Å; W274-W384 HydrophobicContact CB-CG 4.46Å; W274-W384 HydrophobicContact CD2-CB 4.43Å; W274-W384 HydrophobicContact CE3-CB 3.93Å; W274-W384 AromaticContact CE3-CD2 3.5Å; W274-W384 HydrophobicContact CE3-CD2 3.5Å; W274-W384 AromaticContact CE3-CE3 3.48Å; W274-W384 HydrophobicContact CE3-CE3 3.48Å; W274-W384 VanDerWaalsContact CE3-CE3 3.48Å; W274-W384 AromaticContact CE3-CG 3.69Å; W274-W384 HydrophobicContact CE3-CG 3.69Å; W274-W384 HydrophobicContact CE3-CZ3 4.25Å; W274-W384 HydrophobicContact CG-CB 4.46Å; W274-W384 HydrophobicContact CH2-CE3 4.39Å; W274-W384 AromaticContact CZ3-CD2 3.74Å; W274-W384 HydrophobicContact CZ3-CD2 3.74Å; W274-W384 AromaticContact CZ3-CE3 3.29Å; W274-W384 HydrophobicContact CZ3-CE3 3.29Å; W274-W384 HydrophobicContact CZ3-CG 4.41Å; W274-W384 HydrophobicContact CZ3-CH2 4.3Å; W274-W384 AromaticContact CZ3-CZ3 3.61Å; W274-W384 HydrophobicContact CZ3-CZ3 3.61Å
275	K	98	Very high	96.2	Very high	142 Å²	142	35 Å²	35	62%	0.617	22%	0.22	S	C	*	.	S	Bend	trans	-63.8	-30.4	-174.1	-173.8	179	176.7	-176.6	0	114	G277 F278 P297	K275-G277 PolarHBondContact O-N 3.17Å; K275-G277 VanDerWaalsContact O-N 3.16Å; K275-F278 PolarHBondContact O-N 3.46Å; K275-P297 HydrophobicContact CB-CB 4.06Å; K275-P297 HydrophobicContact CG-CB 4.37Å
276	S	96.3	Very high	96.1	Very high	8 Å²	8	35.5 Å²	35.5	6%	0.056	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	110.6	-176	-176.7	0	0	0	0	111.7	W274 F278 R335 G379 D387	W274-S276 VanDerWaalsContact C-N 3.31Å; W274-S276 PolarHBondContact O-N 2.95Å; S276-F278 PolarHBondContact O-N 3.41Å; S276-R335 WeakPolarHBondContact OG-CD 3.38Å; S276-R335 PolarHBondContact OG-NE 3.19Å; S276-G379 WeakPolarHBondContact O-CA 3.42Å; S276-G379 PolarHBondContact O-N 2.91Å; S276-D387 WeakPolarHBondContact CB-OD2 3.35Å; S276-D387 PolarHBondContact OG-OD2 2.98Å
277	G	95.7	Very high	96	Very high	34 Å²	34	34 Å²	34	35%	0.351	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	14.9	-179	0	0	0	0	0	115.1	K275 G279 G280 S378	K275-G277 PolarHBondContact O-N 3.17Å; K275-G277 VanDerWaalsContact O-N 3.16Å; G277-G279 PolarHBondContact O-N 3.36Å; G277-G280 PolarHBondContact O-N 3.19Å; G277-S378 WeakPolarHBondContact O-CB 3.45Å; G277-S378 PolarHBondContact O-OG 3.36Å
278	F	98.1	Very high	95.7	Very high	52 Å²	52	35 Å²	35	23%	0.228	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43	131.8	-175.5	-179.2	-93.5	0	0	0	114	W274 K275 S276 G280 H293 S296 P297	W274-F278 WeakPolarHBondContact O-CB 3.4Å; K275-F278 PolarHBondContact O-N 3.46Å; S276-F278 PolarHBondContact O-N 3.41Å; F278-G280 PolarHBondContact O-N 2.92Å; F278-H293 AromaticContact CE1-ND1 3.95Å; F278-H293 HydrophobicContact CE2-CB 4.11Å; F278-H293 WeakPolarHBondContact CE2-O 3.38Å; F278-H293 HydrophobicContact CZ-CB 4.31Å; F278-H293 AromaticContact CZ-ND1 3.55Å; F278-S296 WeakPolarHBondContact CE2-O 3.3Å; F278-S296 VanDerWaalsContact CZ-CA 3.47Å; F278-S296 WeakPolarHBondContact CZ-O 2.89Å; F278-P297 HydrophobicContact CB-CB 4.08Å; F278-P297 HydrophobicContact CD1-CB 4.43Å; F278-P297 HydrophobicContact CD1-CG 4.46Å; F278-P297 HydrophobicContact CD2-CB 3.79Å; F278-P297 HydrophobicContact CE2-CB 4.33Å; F278-P297 HydrophobicContact CG-CB 3.83Å; F278-P297 HydrophobicContact CG-CG 4.31Å
279	G	96.5	Very high	95.4	Very high	38 Å²	38	35.2 Å²	35.2	39%	0.392	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	8	179.2	0	0	0	0	0	115.2	G277	G277-G279 PolarHBondContact O-N 3.36Å
280	G	95.2	Very high	95.1	Very high	30 Å²	30	36.8 Å²	36.8	31%	0.309	23%	0.231	S	C	.	.			trans	-79.7	-165.7	175.6	0	0	0	0	0	114.3	G277 F278 S283 S378	G277-G280 PolarHBondContact O-N 3.19Å; F278-G280 PolarHBondContact O-N 2.92Å; G280-S283 PolarHBondContact O-N 2.95Å; G280-S283 PolarHBondContact O-OG 3Å; G280-S378 WeakPolarHBondContact CA-OG 3.48Å; G280-S378 PolarHBondContact N-OG 2.94Å; G280-S378 VanDerWaalsContact N-OG 3.09Å; G280-S378 PolarHBondContact O-OG 3.44Å
281	N	91.5	Very high	94.9	Very high	130 Å²	130	37.9 Å²	37.9	70%	0.695	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	143.8	-178.5	-72	-8.9	0	0	0	112.4	S283 V376 S378	N281-S283 VanDerWaalsContact C-N 3.28Å; N281-V376 HydrophobicContact CB-CG1 3.76Å; N281-S378 WeakPolarHBondContact O-CB 3.48Å; N281-S378 PolarHBondContact O-N 2.74Å; N281-S378 VanDerWaalsContact O-N 3.07Å; N281-S378 PolarHBondContact O-OG 2.85Å
282	G	88.4	Confident	94.8	Very high	32 Å²	32	37.9 Å²	37.9	33%	0.33	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	6.5	-177.1	0	0	0	0	0	114.7	R272 V376	R272-G282 PolarHBondContact NE-O 2.97Å; R272-G282 PolarHBondContact NH2-O 2.79Å; G282-V376 WeakPolarHBondContact CA-O 3.22Å
283	S	93.1	Very high	94.8	Very high	22 Å²	22	38.9 Å²	38.9	15%	0.154	24%	0.241	C	C	.	.			trans	-118.2	169.6	166.7	77.1	0	0	0	0	110.5	G280 N281 H293 S378	G280-S283 PolarHBondContact O-N 2.95Å; G280-S283 PolarHBondContact O-OG 3Å; N281-S283 VanDerWaalsContact C-N 3.28Å; S283-H293 PolarHBondContact OG-CD2 2.83Å; S283-S378 PolarHBondContact OG-OG 2.85Å
284	N	93.2	Very high	94.7	Very high	48 Å²	48	38.9 Å²	38.9	26%	0.257	24%	0.241	S	C	.	.	B	Isolated β-bridge	trans	-132.9	142.9	-179.4	-159.7	-54.8	0	0	0	111.3	N286 S289 T291 Y292 H293	N284-N286 WeakPolarHBondContact OD1-CB 3.49Å; N284-N286 PolarHBondContact OD1-N 3.43Å; N284-S289 WeakPolarHBondContact CB-OG 3.44Å; N284-T291 WeakPolarHBondContact CB-OG1 3.39Å; N284-T291 PolarHBondContact N-O 2.83Å; N284-Y292 VanDerWaalsContact O-CA 3.25Å; N284-Y292 WeakPolarHBondContact O-CA 3.3Å; N284-Y292 WeakPolarHBondContact O-CD2 3.33Å; N284-H293 PolarHBondContact O-CD2 3.31Å; N284-H293 PolarHBondContact O-N 3.21Å; N284-H293 PolarHBondContact O-NE2 3.24Å
285	S	94.7	Very high	94.7	Very high	88 Å²	88	41.7 Å²	41.7	62%	0.615	26%	0.259	S	S	*	.	S	Bend	trans	-90.5	-9.9	178.1	61.4	0	0	0	0	113.7	P287 Y292 H293	S285-P287 WeakPolarHBondContact O-CD 3.41Å; S285-Y292 WeakPolarHBondContact O-CE2 3.35Å; S285-H293 VanDerWaalsContact CA-NE2 3.29Å; S285-H293 WeakPolarHBondContact CA-NE2 3.37Å; S285-H293 WeakPolarHBondContact CB-NE2 3.29Å
286	N	92.5	Very high	94.7	Very high	38 Å²	38	37.6 Å²	37.6	20%	0.203	25%	0.248	C	C	.	.			trans	-73.7	119.7	174.2	179.4	9.9	0	0	0	110.4	K63 N284 C288 S289 Y292	K63-N286 WeakPolarHBondContact CE-ND2 3.36Å; N284-N286 WeakPolarHBondContact OD1-CB 3.49Å; N284-N286 PolarHBondContact OD1-N 3.43Å; N286-C288 PolarHBondContact O-N 2.93Å; N286-C288 PolarHBondContact OD1-N 2.87Å; N286-S289 WeakPolarHBondContact O-CB 3.38Å; N286-S289 PolarHBondContact O-N 3.28Å; N286-Y292 WeakPolarHBondContact O-CB 3.47Å; N286-Y292 WeakPolarHBondContact O-CD2 3.43Å
287	P	93.9	Very high	94.8	Very high	28 Å²	28	39.7 Å²	39.7	18%	0.182	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-20.9	179.8	-25.1	35.1	0	0	0	115.3	K255 I263 C265 S285 Y292	K255-P287 PolarHBondContact NZ-O 3.38Å; I263-P287 HydrophobicContact CD1-CB 4.35Å; I263-P287 HydrophobicContact CD1-CG 3.91Å; I263-P287 HydrophobicContact CG1-CG 4.49Å; I263-P287 HydrophobicContact CG2-CB 3.43Å; I263-P287 VanDerWaalsContact CG2-CB 3.43Å; I263-P287 HydrophobicContact CG2-CG 3.9Å; C265-P287 HydrophobicContact CB-CB 4.37Å; C265-P287 WeakPolarHBondContact CB-O 3.08Å; S285-P287 WeakPolarHBondContact O-CD 3.41Å; P287-Y292 HydrophobicContact CB-CD1 4.24Å; P287-Y292 HydrophobicContact CB-CE1 4.02Å; P287-Y292 HydrophobicContact CB-CE2 4.49Å; P287-Y292 HydrophobicContact CG-CE1 4.39Å; P287-Y292 HydrophobicContact CG-CE2 4.2Å
288	C	91.2	Very high	94.9	Very high	26 Å²	26	40.7 Å²	40.7	18%	0.176	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-8.6	178	-56.3	0	0	0	0	114.1	F264 C265 N286	F264-C288 WeakPolarHBondContact CZ-SG 3.39Å; C265-C288 HydrophobicContact CB-CB 3.86Å; C265-C288 WeakPolarHBondContact CB-SG 3.33Å; C265-C288 WeakPolarHBondContact SG-CA 3.36Å; C265-C288 WeakPolarHBondContact SG-CB 3.18Å; C265-C288 CovalentContact SG-SG 2.03Å; C265-C288 PolarHBondContact SG-SG 2.72Å; N286-C288 PolarHBondContact O-N 2.93Å; N286-C288 PolarHBondContact OD1-N 2.87Å
289	S	92	Very high	94.9	Very high	4 Å²	4	40 Å²	40	3%	0.028	26%	0.259	C	S	.	.	S	Bend	trans	-70.6	147.7	175.7	-178.5	0	0	0	0	110.8	K255 N284 N286 T291 Y292	K255-S289 WeakPolarHBondContact CD-O 3.42Å; K255-S289 WeakPolarHBondContact CE-O 3.33Å; K255-S289 PolarHBondContact NZ-O 2.87Å; N284-S289 WeakPolarHBondContact CB-OG 3.44Å; N286-S289 WeakPolarHBondContact O-CB 3.38Å; N286-S289 PolarHBondContact O-N 3.28Å; S289-T291 PolarHBondContact O-N 2.79Å; S289-T291 PolarHBondContact OG-N 3.31Å; S289-T291 PolarHBondContact OG-OG1 3.22Å; S289-Y292 WeakPolarHBondContact O-CB 3.21Å; S289-Y292 PolarHBondContact O-N 2.98Å
290	E	92.9	Very high	95	Very high	34 Å²	34	38.5 Å²	38.5	16%	0.159	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-19.4	168.4	-69.6	-56	120.1	0	0	112.5	R254 D269	R254-E290 WeakPolarHBondContact CB-OE2 3.37Å; D269-E290 WeakPolarHBondContact CB-O 3.44Å
291	T	94.6	Very high	95.2	Very high	23 Å²	23	39.1 Å²	39.1	14%	0.141	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	23.6	177.2	56.8	0	0	0	0	112.4	N284 S289 H293	N284-T291 WeakPolarHBondContact CB-OG1 3.39Å; N284-T291 PolarHBondContact N-O 2.83Å; S289-T291 PolarHBondContact O-N 2.79Å; S289-T291 PolarHBondContact OG-N 3.31Å; S289-T291 PolarHBondContact OG-OG1 3.22Å; T291-H293 PolarHBondContact O-N 2.99Å
292	Y	96.5	Very high	95.5	Very high	15 Å²	15	32.9 Å²	32.9	6%	0.059	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-59.6	119.5	178.3	177.1	-133.2	0	0	0	111.1	V268 D269 N284 S285 N286 P287 S289 G294	V268-Y292 HydrophobicContact CB-CD1 4.4Å; V268-Y292 WeakPolarHBondContact CG1-O 3.47Å; V268-Y292 HydrophobicContact CG2-CD1 3.67Å; V268-Y292 HydrophobicContact CG2-CE1 3.66Å; D269-Y292 PolarHBondContact N-O 2.96Å; N284-Y292 VanDerWaalsContact O-CA 3.25Å; N284-Y292 WeakPolarHBondContact O-CA 3.3Å; N284-Y292 WeakPolarHBondContact O-CD2 3.33Å; S285-Y292 WeakPolarHBondContact O-CE2 3.35Å; N286-Y292 WeakPolarHBondContact O-CB 3.47Å; N286-Y292 WeakPolarHBondContact O-CD2 3.43Å; P287-Y292 HydrophobicContact CB-CD1 4.24Å; P287-Y292 HydrophobicContact CB-CE1 4.02Å; P287-Y292 HydrophobicContact CB-CE2 4.49Å; P287-Y292 HydrophobicContact CG-CE1 4.39Å; P287-Y292 HydrophobicContact CG-CE2 4.2Å; S289-Y292 WeakPolarHBondContact O-CB 3.21Å; S289-Y292 PolarHBondContact O-N 2.98Å; Y292-G294 VanDerWaalsContact C-N 3.3Å; Y292-G294 VanDerWaalsContact CZ-CA 3.45Å; Y292-G294 PolarHBondContact O-N 2.84Å
293	H	98.1	Very high	96	Very high	25 Å²	25	31.4 Å²	31.4	12%	0.116	19%	0.192	C	C	.	.			trans	-76.7	-11.6	-176.2	54.3	68.4	0	0	0	114.6	R272 N273 F278 S283 N284 S285 T291	R272-H293 HydrophobicContact CB-CB 3.99Å; R272-H293 WeakPolarHBondContact O-CB 3.33Å; N273-H293 PolarHBondContact ND2-O 3.08Å; F278-H293 AromaticContact CE1-ND1 3.95Å; F278-H293 HydrophobicContact CE2-CB 4.11Å; F278-H293 WeakPolarHBondContact CE2-O 3.38Å; F278-H293 HydrophobicContact CZ-CB 4.31Å; F278-H293 AromaticContact CZ-ND1 3.55Å; S283-H293 PolarHBondContact OG-CD2 2.83Å; N284-H293 PolarHBondContact O-CD2 3.31Å; N284-H293 PolarHBondContact O-N 3.21Å; N284-H293 PolarHBondContact O-NE2 3.24Å; S285-H293 VanDerWaalsContact CA-NE2 3.29Å; S285-H293 WeakPolarHBondContact CA-NE2 3.37Å; S285-H293 WeakPolarHBondContact CB-NE2 3.29Å; T291-H293 PolarHBondContact O-N 2.99Å
294	G	98.1	Very high	96.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.194	C	C	.	.			trans	87.9	174.8	-175.3	0	0	0	0	0	113.3	Y292	Y292-G294 VanDerWaalsContact C-N 3.3Å; Y292-G294 VanDerWaalsContact CZ-CA 3.45Å; Y292-G294 PolarHBondContact O-N 2.84Å
295	P	97.4	Very high	96.6	Very high	58 Å²	58	29.5 Å²	29.5	38%	0.377	18%	0.184	S	C	.	.	S	Bend	trans	-72.4	-27.2	-175.2	26.8	-35.8	0	0	0	115	S299	P295-S299 WeakPolarHBondContact CD-OG 3.4Å
296	S	98.4	Very high	96.8	Very high	56 Å²	56	25.4 Å²	25.4	39%	0.392	16%	0.155	S	C	.	.	S	Bend	trans	-159.2	159.4	-176.9	57.7	0	0	0	0	109.3	N273 F278 Q298 S299	N273-S296 PolarHBondContact ND2-O 3.1Å; N273-S296 VanDerWaalsContact ND2-O 3.16Å; F278-S296 WeakPolarHBondContact CE2-O 3.3Å; F278-S296 VanDerWaalsContact CZ-CA 3.47Å; F278-S296 WeakPolarHBondContact CZ-O 2.89Å; S296-Q298 PolarHBondContact O-N 2.7Å; S296-S299 VanDerWaalsContact O-CB 3.31Å; S296-S299 WeakPolarHBondContact O-CB 3.33Å; S296-S299 PolarHBondContact O-N 3.48Å; S296-S299 PolarHBondContact O-OG 2.8Å
297	P	98.3	Very high	97.1	Very high	52 Å²	52	24 Å²	24	34%	0.338	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	137.9	174.7	26	-35.1	0	0	0	110.3	N273 K275 F278 S299	N273-P297 CarbonylContact O-C 3.48Å; N273-P297 WeakPolarHBondContact O-CA 3.19Å; K275-P297 HydrophobicContact CB-CB 4.06Å; K275-P297 HydrophobicContact CG-CB 4.37Å; F278-P297 HydrophobicContact CB-CB 4.08Å; F278-P297 HydrophobicContact CD1-CB 4.43Å; F278-P297 HydrophobicContact CD1-CG 4.46Å; F278-P297 HydrophobicContact CD2-CB 3.79Å; F278-P297 HydrophobicContact CE2-CB 4.33Å; F278-P297 HydrophobicContact CG-CB 3.83Å; F278-P297 HydrophobicContact CG-CG 4.31Å; P297-S299 PolarHBondContact O-N 3.19Å
298	Q	97.9	Very high	97.3	Very high	55 Å²	55	27.8 Å²	27.8	26%	0.257	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	32.1	178	-53.9	164.3	-15.1	0	0	112	N273 S296 E300 V303 V307	N273-Q298 PolarHBondContact O-N 3.14Å; N273-Q298 VanDerWaalsContact OD1-CA 3.23Å; N273-Q298 WeakPolarHBondContact OD1-CA 3.37Å; N273-Q298 PolarHBondContact OD1-N 2.97Å; S296-Q298 PolarHBondContact O-N 2.7Å; Q298-E300 VanDerWaalsContact C-N 3.26Å; Q298-V303 HydrophobicContact CB-CG1 4.44Å; Q298-V303 HydrophobicContact CG-CG1 4.12Å; Q298-V307 HydrophobicContact CG-CG2 4.06Å; Q298-V307 VanDerWaalsContact NE2-CG2 3.35Å
299	S	98.6	Very high	97.7	Very high	37 Å²	37	28.3 Å²	28.3	26%	0.259	17%	0.166	S	C	.	.			trans	-69	-27.2	174.6	58.6	0	0	0	0	112.8	N273 P295 S296 P297	N273-S299 PolarHBondContact ND2-OG 3.16Å; N273-S299 PolarHBondContact OD1-N 2.97Å; P295-S299 WeakPolarHBondContact CD-OG 3.4Å; S296-S299 VanDerWaalsContact O-CB 3.31Å; S296-S299 WeakPolarHBondContact O-CB 3.33Å; S296-S299 PolarHBondContact O-N 3.48Å; S296-S299 PolarHBondContact O-OG 2.8Å; P297-S299 PolarHBondContact O-N 3.19Å
300	E	98.8	Very high	98	Very high	7 Å²	7	28.5 Å²	28.5	3%	0.033	17%	0.167	C	C	.	.	S	Bend	trans	-85.4	130.4	-176.4	-52.7	-46.3	107	0	0	110.4	N256 S258 V268 L270 N273 Q298 E302 V303 A304	N256-E300 PolarHBondContact ND2-OE2 3.33Å; N256-E300 PolarHBondContact OD1-OE2 2.74Å; S258-E300 WeakPolarHBondContact CB-OE2 3.42Å; S258-E300 PolarHBondContact OG-OE2 2.9Å; V268-E300 VanDerWaalsContact CB-CD 3.46Å; V268-E300 HydrophobicContact CB-CG 3.64Å; V268-E300 HydrophobicContact CG1-CG 3.61Å; V268-E300 VanDerWaalsContact CG2-CD 3.43Å; V268-E300 HydrophobicContact CG2-CG 4.15Å; V268-E300 WeakPolarHBondContact CG2-OE1 3.5Å; L270-E300 HydrophobicContact CD2-CB 3.53Å; L270-E300 HydrophobicContact CD2-CG 3.69Å; N273-E300 HydrophobicContact CB-CG 4.33Å; N273-E300 PolarHBondContact OD1-N 3.19Å; N273-E300 VanDerWaalsContact OD1-N 3.12Å; Q298-E300 VanDerWaalsContact C-N 3.26Å; E300-E302 PolarHBondContact O-N 3.29Å; E300-V303 PolarHBondContact O-N 3.26Å; E300-V303 VanDerWaalsContact O-N 3.13Å; E300-A304 WeakPolarHBondContact O-CB 3.49Å; E300-A304 PolarHBondContact O-N 3.36Å
301	P	98.8	Very high	98.2	Very high	43 Å²	43	31.4 Å²	31.4	28%	0.279	19%	0.187	S	C	.	.	H	α-helix	trans	-62.7	-28.2	-174.9	26.7	-35.3	0	0	0	112.6	F169 A305	F169-P301 HydrophobicContact CB-CG 4.1Å; P301-A305 WeakPolarHBondContact O-CB 3.29Å; P301-A305 PolarHBondContact O-N 3.47Å
302	E	98.9	Very high	98.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.4	-49.7	174.3	-58	81.6	-174.4	0	0	111.7	S168 F169 I174 N256 L270 E300 A305 I306	S168-E302 WeakPolarHBondContact CA-OE1 3.37Å; S168-E302 WeakPolarHBondContact CB-OE1 3.26Å; F169-E302 PolarHBondContact N-OE1 3.07Å; I174-E302 HydrophobicContact CD1-CB 4.29Å; I174-E302 HydrophobicContact CD1-CG 4.21Å; N256-E302 PolarHBondContact ND2-OE2 3.04Å; L270-E302 HydrophobicContact CD1-CB 3.87Å; L270-E302 HydrophobicContact CD1-CG 4.22Å; L270-E302 HydrophobicContact CD2-CB 4.42Å; E300-E302 PolarHBondContact O-N 3.29Å; E302-A305 PolarHBondContact O-N 3.05Å; E302-I306 PolarHBondContact O-N 3.35Å
303	V	98.9	Very high	98.3	Very high	1 Å²	1	36 Å²	36	1%	0.006	22%	0.222	C	C	.	.	H	α-helix	trans	-68.9	-41.5	178.7	171.1	0	0	0	0	110.8	L270 N273 W274 Q298 E300 A305 I306 V307	L270-V303 HydrophobicContact CB-CG2 4.04Å; L270-V303 HydrophobicContact CD2-CG2 4.03Å; N273-V303 HydrophobicContact CB-CG2 4.38Å; W274-V303 HydrophobicContact CD2-CG1 3.76Å; W274-V303 HydrophobicContact CE3-CG1 4.03Å; W274-V303 HydrophobicContact CG-CG1 4.23Å; W274-V303 HydrophobicContact CH2-CG1 4.3Å; W274-V303 HydrophobicContact CZ2-CG1 4.03Å; W274-V303 HydrophobicContact CZ2-CG2 4.24Å; W274-V303 HydrophobicContact CZ3-CG1 4.29Å; Q298-V303 HydrophobicContact CB-CG1 4.44Å; Q298-V303 HydrophobicContact CG-CG1 4.12Å; E300-V303 PolarHBondContact O-N 3.26Å; E300-V303 VanDerWaalsContact O-N 3.13Å; V303-A305 VanDerWaalsContact C-N 3.3Å; V303-A305 PolarHBondContact O-N 3.44Å; V303-I306 PolarHBondContact O-N 3.23Å; V303-V307 HydrophobicContact CG1-CG2 4.31Å; V303-V307 VanDerWaalsContact O-CG2 3.29Å; V303-V307 WeakPolarHBondContact O-CG2 3.26Å; V303-V307 PolarHBondContact O-N 3.46Å
304	A	98.8	Very high	98.3	Very high	23 Å²	23	37.8 Å²	37.8	19%	0.19	25%	0.248	C	C	.	.	H	α-helix	trans	-61.2	-38.2	178	0	0	0	0	0	112.2	E300 V307 N308	E300-A304 WeakPolarHBondContact O-CB 3.49Å; E300-A304 PolarHBondContact O-N 3.36Å; A304-V307 PolarHBondContact O-N 2.9Å; A304-N308 VanDerWaalsContact O-CB 3.29Å; A304-N308 WeakPolarHBondContact O-CB 3.37Å; A304-N308 PolarHBondContact O-N 2.93Å; A304-N308 PolarHBondContact O-ND2 3.46Å; A304-N308 VanDerWaalsContact O-ND2 3.16Å
305	A	98.9	Very high	98.2	Very high	7 Å²	7	40 Å²	40	6%	0.058	26%	0.259	C	S	.	.	H	α-helix	trans	-60.6	-46.3	177.3	0	0	0	0	0	112	I165 I174 P301 E302 V303 N308 F309	I165-A305 HydrophobicContact CD1-CB 4.13Å; I165-A305 HydrophobicContact CG1-CB 4.13Å; I174-A305 HydrophobicContact CD1-CB 3.97Å; P301-A305 WeakPolarHBondContact O-CB 3.29Å; P301-A305 PolarHBondContact O-N 3.47Å; E302-A305 PolarHBondContact O-N 3.05Å; V303-A305 VanDerWaalsContact C-N 3.3Å; V303-A305 PolarHBondContact O-N 3.44Å; A305-N308 PolarHBondContact O-N 3.06Å; A305-F309 VanDerWaalsContact O-CB 3.3Å; A305-F309 WeakPolarHBondContact O-CB 3.38Å; A305-F309 PolarHBondContact O-N 2.89Å
306	I	98.9	Very high	98.2	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-65	-47.4	178.8	-59.1	167.3	0	0	0	110.8	I165 W190 E235 T238 W274 E302 V303 N308 F309 I310	I165-I306 HydrophobicContact CD1-CG1 4.03Å; W190-I306 HydrophobicContact CH2-CG1 4.3Å; W190-I306 HydrophobicContact CH2-CG2 4.18Å; W190-I306 HydrophobicContact CZ2-CB 4.39Å; W190-I306 HydrophobicContact CZ2-CD1 4.27Å; W190-I306 HydrophobicContact CZ2-CG1 3.93Å; W190-I306 HydrophobicContact CZ2-CG2 3.68Å; E235-I306 VanDerWaalsContact OE2-CD1 3.27Å; E235-I306 WeakPolarHBondContact OE2-CD1 3.1Å; T238-I306 HydrophobicContact CG2-CD1 3.67Å; W274-I306 HydrophobicContact CH2-CB 3.98Å; W274-I306 HydrophobicContact CH2-CD1 4.18Å; W274-I306 HydrophobicContact CH2-CG2 3.78Å; W274-I306 HydrophobicContact CZ2-CD1 4.32Å; W274-I306 HydrophobicContact CZ3-CG2 4.44Å; E302-I306 PolarHBondContact O-N 3.35Å; V303-I306 PolarHBondContact O-N 3.23Å; I306-N308 VanDerWaalsContact C-N 3.32Å; I306-N308 PolarHBondContact O-N 3.4Å; I306-F309 PolarHBondContact O-N 3.32Å; I306-I310 HydrophobicContact CG2-CD1 3.58Å; I306-I310 HydrophobicContact CG2-CG1 4.21Å; I306-I310 WeakPolarHBondContact O-CB 3.32Å; I306-I310 WeakPolarHBondContact O-CG1 3.5Å; I306-I310 PolarHBondContact O-N 2.94Å
307	V	98.8	Very high	98.2	Very high	9 Å²	9	36.8 Å²	36.8	6%	0.055	23%	0.233	C	C	.	.	H	α-helix	trans	-56.8	-48.4	178.3	168.5	0	0	0	0	110.8	W274 Q298 V303 A304 T311 W384	W274-V307 HydrophobicContact CE3-CG2 3.82Å; W274-V307 HydrophobicContact CH2-CG2 4.4Å; W274-V307 HydrophobicContact CZ3-CG2 3.49Å; W274-V307 VanDerWaalsContact CZ3-CG2 3.49Å; Q298-V307 HydrophobicContact CG-CG2 4.06Å; Q298-V307 VanDerWaalsContact NE2-CG2 3.35Å; V303-V307 HydrophobicContact CG1-CG2 4.31Å; V303-V307 VanDerWaalsContact O-CG2 3.29Å; V303-V307 WeakPolarHBondContact O-CG2 3.26Å; V303-V307 PolarHBondContact O-N 3.46Å; A304-V307 PolarHBondContact O-N 2.9Å; V307-T311 WeakPolarHBondContact O-CB 3.21Å; V307-T311 PolarHBondContact O-N 2.67Å; V307-T311 PolarHBondContact O-OG1 3.07Å; V307-W384 HydrophobicContact CB-CH2 4.48Å; V307-W384 HydrophobicContact CB-CZ2 4.12Å; V307-W384 HydrophobicContact CG1-CZ2 3.88Å; V307-W384 HydrophobicContact CG2-CD2 4.47Å; V307-W384 HydrophobicContact CG2-CH2 4.21Å; V307-W384 HydrophobicContact CG2-CZ2 3.85Å
308	N	98.8	Very high	98.2	Very high	107 Å²	107	34.3 Å²	34.3	57%	0.572	22%	0.217	S	C	*	.	H	α-helix	trans	-62.9	-44.3	179.5	-72.3	-22.9	0	0	0	111	A304 A305 I306 A312	A304-N308 VanDerWaalsContact O-CB 3.29Å; A304-N308 WeakPolarHBondContact O-CB 3.37Å; A304-N308 PolarHBondContact O-N 2.93Å; A304-N308 PolarHBondContact O-ND2 3.46Å; A304-N308 VanDerWaalsContact O-ND2 3.16Å; A305-N308 PolarHBondContact O-N 3.06Å; I306-N308 VanDerWaalsContact C-N 3.32Å; I306-N308 PolarHBondContact O-N 3.4Å; N308-A312 WeakPolarHBondContact O-CB 3.36Å; N308-A312 PolarHBondContact O-N 2.83Å
309	F	98.7	Very high	98.3	Very high	37 Å²	37	31.7 Å²	31.7	16%	0.162	20%	0.204	C	C	.	.	H	α-helix	trans	-62.2	-51.9	179.5	-179	-102.1	0	0	0	112.4	I163 I165 W190 F233 A305 I306 T311 A312 H313 F316	I163-F309 HydrophobicContact CD1-CE2 4.41Å; I163-F309 HydrophobicContact CD1-CZ 4.34Å; I163-F309 HydrophobicContact CG2-CE2 4.17Å; I165-F309 HydrophobicContact CB-CB 4.25Å; I165-F309 HydrophobicContact CB-CD2 4.27Å; I165-F309 HydrophobicContact CB-CG 4.37Å; I165-F309 HydrophobicContact CG2-CB 4.14Å; I165-F309 HydrophobicContact CG2-CD1 4.37Å; I165-F309 HydrophobicContact CG2-CD2 3.4Å; I165-F309 HydrophobicContact CG2-CE2 3.82Å; I165-F309 HydrophobicContact CG2-CG 3.71Å; I165-F309 HydrophobicContact CG2-CZ 4.45Å; W190-F309 HydrophobicContact CE3-CD1 4.1Å; W190-F309 HydrophobicContact CE3-CE1 4.09Å; W190-F309 HydrophobicContact CH2-CD1 4.39Å; W190-F309 AromaticContact CZ3-CD1 3.51Å; W190-F309 HydrophobicContact CZ3-CD1 3.51Å; W190-F309 AromaticContact CZ3-CE1 3.64Å; W190-F309 HydrophobicContact CZ3-CE1 3.64Å; F233-F309 AromaticContact CD1-CE1 3.87Å; F233-F309 HydrophobicContact CD1-CE1 3.87Å; F233-F309 AromaticContact CD1-CZ 3.67Å; F233-F309 HydrophobicContact CD1-CZ 3.67Å; F233-F309 HydrophobicContact CE1-CE1 4.12Å; F233-F309 AromaticContact CE1-CZ 3.55Å; F233-F309 HydrophobicContact CE1-CZ 3.55Å; F233-F309 HydrophobicContact CG-CE1 4.21Å; F233-F309 HydrophobicContact CG-CZ 4.44Å; F233-F309 HydrophobicContact CZ-CZ 4.23Å; A305-F309 VanDerWaalsContact O-CB 3.3Å; A305-F309 WeakPolarHBondContact O-CB 3.38Å; A305-F309 PolarHBondContact O-N 2.89Å; I306-F309 PolarHBondContact O-N 3.32Å; F309-T311 PolarHBondContact O-N 3.01Å; F309-A312 PolarHBondContact O-N 3.37Å; F309-H313 WeakPolarHBondContact O-CB 3.39Å; F309-H313 PolarHBondContact O-N 2.95Å; F309-F316 HydrophobicContact CD1-CE2 4.38Å; F309-F316 HydrophobicContact CD1-CZ 4.36Å; F309-F316 HydrophobicContact CE1-CE2 4.15Å; F309-F316 AromaticContact CE1-CZ 3.83Å; F309-F316 HydrophobicContact CE1-CZ 3.83Å
310	I	98.4	Very high	98.3	Very high	9 Å²	9	30 Å²	30	5%	0.046	19%	0.192	C	C	.	.	H	α-helix	trans	-63.2	-44.3	-179.2	-71.1	177.4	0	0	0	110.8	W190 I306 H313 G314 F316 L319 W384 I390	W190-I310 HydrophobicContact CD2-CD1 4.07Å; W190-I310 HydrophobicContact CD2-CG1 4.44Å; W190-I310 HydrophobicContact CE3-CD1 4.41Å; W190-I310 HydrophobicContact CE3-CG1 4.28Å; W190-I310 HydrophobicContact CG-CD1 4.15Å; I306-I310 HydrophobicContact CG2-CD1 3.58Å; I306-I310 HydrophobicContact CG2-CG1 4.21Å; I306-I310 WeakPolarHBondContact O-CB 3.32Å; I306-I310 WeakPolarHBondContact O-CG1 3.5Å; I306-I310 PolarHBondContact O-N 2.94Å; I310-H313 PolarHBondContact O-N 3.14Å; I310-G314 PolarHBondContact O-N 2.84Å; I310-F316 HydrophobicContact CB-CD2 4.11Å; I310-F316 HydrophobicContact CB-CE2 4.29Å; I310-F316 HydrophobicContact CG1-CD2 4.04Å; I310-F316 HydrophobicContact CG1-CE2 3.95Å; I310-F316 HydrophobicContact CG1-CZ 4.44Å; I310-F316 HydrophobicContact CG2-CB 4.43Å; I310-F316 HydrophobicContact CG2-CD2 3.83Å; I310-F316 HydrophobicContact CG2-CG 4.32Å; I310-L319 HydrophobicContact CD1-CD1 3.64Å; I310-W384 HydrophobicContact CB-CH2 4Å; I310-W384 HydrophobicContact CD1-CH2 4.17Å; I310-W384 HydrophobicContact CD1-CZ3 3.95Å; I310-W384 HydrophobicContact CG2-CH2 3.79Å; I310-W384 HydrophobicContact CG2-CZ3 4.32Å; I310-I390 HydrophobicContact CG2-CD1 3.76Å
311	T	97.9	Very high	98.3	Very high	94 Å²	94	29.6 Å²	29.6	58%	0.577	19%	0.191	S	C	*	.	H	α-helix	trans	-66.3	-41.1	179.8	-53.8	0	0	0	0	111.3	V307 F309 H313 G314	V307-T311 WeakPolarHBondContact O-CB 3.21Å; V307-T311 PolarHBondContact O-N 2.67Å; V307-T311 PolarHBondContact O-OG1 3.07Å; F309-T311 PolarHBondContact O-N 3.01Å; T311-H313 VanDerWaalsContact C-N 3.35Å; T311-G314 PolarHBondContact O-N 2.88Å
312	A	97.6	Very high	98.3	Very high	90 Å²	90	27.6 Å²	27.6	74%	0.744	18%	0.178	S	C	*	.	H	α-helix	trans	-67.2	-34.9	177.4	0	0	0	0	0	112.5	N308 F309	N308-A312 WeakPolarHBondContact O-CB 3.36Å; N308-A312 PolarHBondContact O-N 2.83Å; F309-A312 PolarHBondContact O-N 3.37Å
313	H	96.6	Very high	98.3	Very high	44 Å²	44	27.7 Å²	27.7	20%	0.204	18%	0.178	C	C	.	.	H	α-helix	trans	-68.2	-45.1	173.4	-172.3	-67.1	0	0	0	111.7	H186 F233 F309 I310 T311 N315 F316	H186-H313 PolarHBondContact O-CE1 3.49Å; F233-H313 AromaticContact CE2-NE2 3.82Å; F233-H313 AromaticContact CZ-CD2 3.98Å; F233-H313 AromaticContact CZ-NE2 3.96Å; F309-H313 WeakPolarHBondContact O-CB 3.39Å; F309-H313 PolarHBondContact O-N 2.95Å; I310-H313 PolarHBondContact O-N 3.14Å; T311-H313 VanDerWaalsContact C-N 3.35Å; H313-N315 VanDerWaalsContact C-N 3.26Å; H313-N315 PolarHBondContact ND1-N 3.47Å; H313-N315 PolarHBondContact O-N 3.03Å; H313-F316 HydrophobicContact CB-CD2 3.98Å; H313-F316 HydrophobicContact CB-CE2 3.55Å; H313-F316 AromaticContact CD2-CE2 3.98Å; H313-F316 AromaticContact CG-CE2 3.57Å
314	G	96.2	Very high	98.3	Very high	63 Å²	63	27.7 Å²	27.7	65%	0.649	18%	0.178	S	C	*	.			trans	68.4	12.8	170.4	0	0	0	0	0	116.4	I310 T311	I310-G314 PolarHBondContact O-N 2.84Å; T311-G314 PolarHBondContact O-N 2.88Å
315	N	96.3	Very high	98.3	Very high	46 Å²	46	27 Å²	27	25%	0.246	17%	0.171	C	C	.	.			trans	-143.6	33.9	-176.9	-159.9	17.2	0	0	0	112.9	R185 P187 A188 H313 K317	R185-N315 PolarHBondContact O-ND2 2.88Å; R185-N315 VanDerWaalsContact O-ND2 3.09Å; P187-N315 CarbonylContact C-O 3.34Å; P187-N315 WeakPolarHBondContact CA-O 3.27Å; A188-N315 PolarHBondContact N-O 3.49Å; H313-N315 VanDerWaalsContact C-N 3.26Å; H313-N315 PolarHBondContact ND1-N 3.47Å; H313-N315 PolarHBondContact O-N 3.03Å; N315-K317 VanDerWaalsContact OD1-CE 3.25Å; N315-K317 WeakPolarHBondContact OD1-CE 3.42Å
316	F	97.9	Very high	98.2	Very high	12 Å²	12	27 Å²	27	5%	0.053	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	133.7	171.2	-82	-84.6	0	0	0	110.3	A188 W190 F233 F309 I310 H313 I390	A188-F316 HydrophobicContact CB-CD1 3.53Å; A188-F316 HydrophobicContact CB-CD2 4.41Å; A188-F316 HydrophobicContact CB-CE1 3.47Å; A188-F316 VanDerWaalsContact CB-CE1 3.47Å; A188-F316 HydrophobicContact CB-CE2 4.36Å; A188-F316 HydrophobicContact CB-CG 4.01Å; A188-F316 HydrophobicContact CB-CZ 3.9Å; A188-F316 CarbonylContact O-C 3.55Å; A188-F316 WeakPolarHBondContact O-CA 3.31Å; W190-F316 HydrophobicContact CB-CD1 3.72Å; W190-F316 HydrophobicContact CB-CE1 3.62Å; W190-F316 HydrophobicContact CE3-CE1 4.19Å; W190-F316 HydrophobicContact CE3-CZ 4.08Å; F233-F316 HydrophobicContact CB-CE1 4.34Å; F233-F316 HydrophobicContact CB-CZ 4.44Å; F233-F316 AromaticContact CD2-CE1 3.58Å; F233-F316 HydrophobicContact CD2-CE1 3.58Å; F233-F316 AromaticContact CD2-CZ 3.53Å; F233-F316 HydrophobicContact CD2-CZ 3.53Å; F233-F316 HydrophobicContact CE2-CE1 4.22Å; F233-F316 AromaticContact CE2-CZ 3.9Å; F233-F316 HydrophobicContact CE2-CZ 3.9Å; F233-F316 HydrophobicContact CG-CE1 4.23Å; F233-F316 HydrophobicContact CG-CZ 4.03Å; F309-F316 HydrophobicContact CD1-CE2 4.38Å; F309-F316 HydrophobicContact CD1-CZ 4.36Å; F309-F316 HydrophobicContact CE1-CE2 4.15Å; F309-F316 AromaticContact CE1-CZ 3.83Å; F309-F316 HydrophobicContact CE1-CZ 3.83Å; I310-F316 HydrophobicContact CB-CD2 4.11Å; I310-F316 HydrophobicContact CB-CE2 4.29Å; I310-F316 HydrophobicContact CG1-CD2 4.04Å; I310-F316 HydrophobicContact CG1-CE2 3.95Å; I310-F316 HydrophobicContact CG1-CZ 4.44Å; I310-F316 HydrophobicContact CG2-CB 4.43Å; I310-F316 HydrophobicContact CG2-CD2 3.83Å; I310-F316 HydrophobicContact CG2-CG 4.32Å; H313-F316 HydrophobicContact CB-CD2 3.98Å; H313-F316 HydrophobicContact CB-CE2 3.55Å; H313-F316 AromaticContact CD2-CE2 3.98Å; H313-F316 AromaticContact CG-CE2 3.57Å; F316-I390 HydrophobicContact CB-CD1 3.73Å; F316-I390 HydrophobicContact CB-CG1 4.08Å
317	K	98.4	Very high	98.2	Very high	36 Å²	36	28.2 Å²	28.2	16%	0.157	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	-31.2	-178.8	-60.3	-58.4	-177.8	166.8	0	112.8	P187 A188 M230 N315 Y392 T431 P435 Y436	P187-K317 HydrophobicContact CB-CG 3.73Å; A188-K317 PolarHBondContact O-N 2.9Å; M230-K317 HydrophobicContact CE-CB 4.1Å; M230-K317 HydrophobicContact CE-CG 4.3Å; N315-K317 VanDerWaalsContact OD1-CE 3.25Å; N315-K317 WeakPolarHBondContact OD1-CE 3.42Å; K317-Y392 WeakPolarHBondContact O-CD2 3.47Å; K317-Y392 PolarHBondContact O-N 3.37Å; K317-T431 HydrophobicContact CB-CG2 3.55Å; K317-P435 VanDerWaalsContact CD-O 3.31Å; K317-P435 WeakPolarHBondContact CD-O 3.43Å; K317-P435 WeakPolarHBondContact CE-O 3.5Å; K317-P435 PolarHBondContact NZ-O 3.42Å; K317-Y436 PolarHBondContact NZ-OXT 3.4Å
318	A	98.8	Very high	98.2	Very high	0 Å²	0	28 Å²	28	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	147.9	172.2	0	0	0	0	0	111.5	I189 W190 Y392 T431	I189-A318 HydrophobicContact CG1-CB 4.14Å; I189-A318 HydrophobicContact CG2-CB 4.22Å; W190-A318 PolarHBondContact N-O 3.47Å; A318-Y392 CarbonylContact C-O 3.56Å; A318-Y392 WeakPolarHBondContact CA-O 3.28Å; A318-Y392 WeakPolarHBondContact CB-O 3.46Å; A318-T431 HydrophobicContact CB-CG2 4.09Å
319	L	98.8	Very high	98.2	Very high	0 Å²	0	23 Å²	23	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	124.6	170.1	-178.9	142.7	0	0	0	108.8	W190 I310 T381 V382 W384 A385 I390 Y392 A393 F394	W190-L319 HydrophobicContact CB-CB 4.43Å; W190-L319 HydrophobicContact CB-CD1 4.33Å; W190-L319 HydrophobicContact CB-CG 4.29Å; W190-L319 HydrophobicContact CG-CD1 4.08Å; W190-L319 HydrophobicContact CG-CG 4.25Å; W190-L319 CarbonylContact O-C 3.5Å; W190-L319 WeakPolarHBondContact O-CA 3.16Å; I310-L319 HydrophobicContact CD1-CD1 3.64Å; L319-T381 HydrophobicContact CD1-CG2 4.42Å; L319-T381 HydrophobicContact CD2-CG2 3.75Å; L319-V382 HydrophobicContact CD2-CG1 4.01Å; L319-W384 HydrophobicContact CD1-CZ3 4.49Å; L319-A385 HydrophobicContact CB-CB 3.93Å; L319-A385 HydrophobicContact CD1-CB 3.82Å; L319-A385 HydrophobicContact CD2-CB 3.96Å; L319-A385 HydrophobicContact CG-CB 4.08Å; L319-I390 HydrophobicContact CB-CD1 4.35Å; L319-I390 HydrophobicContact CB-CG2 4.03Å; L319-I390 HydrophobicContact CD1-CD1 4.45Å; L319-Y392 PolarHBondContact N-O 3.43Å; L319-A393 CarbonylContact O-C 3.5Å; L319-A393 VanDerWaalsContact O-CA 3.29Å; L319-A393 WeakPolarHBondContact O-CA 3.48Å; L319-F394 PolarHBondContact O-N 2.98Å
320	I	98.9	Very high	98.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	109.2	-177.7	-53.9	167.1	0	0	0	108.8	W190 I191 D192 I322 F394 F396 L424 I427	W190-I320 PolarHBondContact O-N 3.33Å; I191-I320 VanDerWaalsContact CA-O 3.29Å; I191-I320 WeakPolarHBondContact CA-O 3.35Å; I191-I320 HydrophobicContact CG1-CB 4.38Å; I191-I320 HydrophobicContact CG1-CD1 4.41Å; D192-I320 PolarHBondContact N-O 3.39Å; I320-I322 HydrophobicContact CG2-CG1 4.13Å; I320-F394 WeakPolarHBondContact CA-O 3.42Å; I320-F396 HydrophobicContact CG2-CD2 3.66Å; I320-F396 HydrophobicContact CG2-CE2 3.75Å; I320-L424 HydrophobicContact CB-CD2 4.47Å; I320-L424 HydrophobicContact CD1-CD2 3.78Å; I320-L424 HydrophobicContact CG2-CD2 3.74Å; I320-I427 HydrophobicContact CD1-CB 4.33Å; I320-I427 HydrophobicContact CD1-CD1 4.46Å; I320-I427 HydrophobicContact CD1-CG2 3.86Å; I320-I427 HydrophobicContact CG1-CG2 4.41Å
321	S	98.9	Very high	98.2	Very high	0 Å²	0	21 Å²	21	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	119.3	179.4	-174	0	0	0	0	110.3	D192 F394 S395 F396	D192-S321 WeakPolarHBondContact OD1-CA 3.12Å; D192-S321 VanDerWaalsContact OD1-CB 3.28Å; D192-S321 WeakPolarHBondContact OD1-CB 3.35Å; D192-S321 PolarHBondContact OD1-OG 3.32Å; S321-F394 PolarHBondContact N-O 2.92Å; S321-S395 VanDerWaalsContact O-CA 3.23Å; S321-S395 WeakPolarHBondContact O-CA 3.25Å; S321-S395 PolarHBondContact O-OG 3.1Å; S321-F396 PolarHBondContact O-N 3.38Å
322	I	98.9	Very high	98.2	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.005	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	121.5	-168.1	-54.2	-178.8	0	0	0	110.8	I191 D192 T193 T202 I320 F396 L398 L424	I191-I322 HydrophobicContact CG2-CD1 3.78Å; I191-I322 HydrophobicContact CG2-CG1 4.37Å; D192-I322 PolarHBondContact O-N 2.98Å; T193-I322 HydrophobicContact CG2-CB 4.11Å; T193-I322 HydrophobicContact CG2-CD1 4.12Å; T193-I322 HydrophobicContact CG2-CG1 4.47Å; T202-I322 HydrophobicContact CG2-CG2 4.1Å; T202-I322 WeakPolarHBondContact CG2-O 3.42Å; I320-I322 HydrophobicContact CG2-CG1 4.13Å; I322-F396 HydrophobicContact CB-CB 4.47Å; I322-F396 HydrophobicContact CG1-CB 4.42Å; I322-F396 HydrophobicContact CG1-CD2 4.45Å; I322-F396 HydrophobicContact CG2-CB 4.11Å; I322-L398 HydrophobicContact CG2-CD1 3.6Å; I322-L398 HydrophobicContact CG2-CD2 4.1Å; I322-L398 HydrophobicContact CG2-CG 3.73Å; I322-L424 HydrophobicContact CD1-CD1 4.43Å; I322-L424 HydrophobicContact CD1-CD2 4.37Å
323	H	98.9	Very high	98.2	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.005	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	174.6	178.9	-66.2	-84.4	0	0	0	112.7	I195 H196 E199 T202 N271 S395 F396 E397 L398	I195-H323 WeakPolarHBondContact CG2-CE1 3.44Å; H196-H323 AromaticContact CE1-CE1 3.22Å; H196-H323 PolarHBondContact CE1-CE1 3.44Å; H196-H323 AromaticContact CE1-ND1 3.39Å; H196-H323 PolarHBondContact CE1-ND1 3.48Å; H196-H323 AromaticContact ND1-CE1 3.45Å; H196-H323 PolarHBondContact ND1-CE1 2.91Å; H196-H323 AromaticContact ND1-ND1 3.17Å; H196-H323 PolarHBondContact ND1-ND1 2.79Å; H196-H323 VanDerWaalsContact ND1-ND1 3.17Å; E199-H323 IonicContact OE1-ND1 2.73Å; E199-H323 WeakPolarHBondContact OE2-CA 3.43Å; E199-H323 VanDerWaalsContact OE2-CB 3.24Å; E199-H323 WeakPolarHBondContact OE2-CB 3.26Å; E199-H323 IonicContact OE2-CG 3.42Å; E199-H323 IonicContact OE2-ND1 3.8Å; E199-H323 PolarHBondContact OE2-ND1 2.94Å; E199-H323 VanDerWaalsContact OE2-ND1 3.08Å; T202-H323 WeakPolarHBondContact CG2-O 3.31Å; N271-H323 PolarHBondContact ND2-CE1 3.09Å; N271-H323 PolarHBondContact ND2-NE2 2.99Å; N271-H323 VanDerWaalsContact ND2-NE2 3.13Å; H323-S395 PolarHBondContact CD2-OG 3.05Å; H323-F396 CarbonylContact C-O 3.56Å; H323-F396 VanDerWaalsContact CA-O 3.28Å; H323-F396 WeakPolarHBondContact CA-O 3.19Å; H323-F396 WeakPolarHBondContact CB-O 3.49Å; H323-F396 PolarHBondContact N-O 3.07Å; H323-E397 VanDerWaalsContact CB-OE2 3.29Å; H323-E397 WeakPolarHBondContact CB-OE2 3.44Å; H323-L398 WeakPolarHBondContact O-CB 3.48Å; H323-L398 VanDerWaalsContact O-CG 3.31Å; H323-L398 WeakPolarHBondContact O-CG 3.42Å; H323-L398 PolarHBondContact O-N 3.33Å
324	S	98.8	Very high	98.2	Very high	2 Å²	2	11.5 Å²	11.5	1%	0.014	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	154.8	160.6	64.5	0	0	0	0	109	E199 I201 E397 F406	E199-S324 VanDerWaalsContact CB-OG 3.26Å; E199-S324 WeakPolarHBondContact CB-OG 3.4Å; E199-S324 WeakPolarHBondContact CG-O 3.43Å; E199-S324 PolarHBondContact OE2-N 2.78Å; I201-S324 WeakPolarHBondContact CG2-OG 3.37Å; S324-E397 VanDerWaalsContact CA-OE2 3.3Å; S324-E397 WeakPolarHBondContact CA-OE2 3.41Å; S324-E397 PolarHBondContact N-OE2 2.88Å; S324-F406 VanDerWaalsContact O-CE1 3.26Å; S324-F406 WeakPolarHBondContact O-CE1 3.23Å
325	Y	98.6	Very high	98.1	Very high	8 Å²	8	12.8 Å²	12.8	3%	0.031	6%	0.056	C	C	.	.	S	Bend	cis	-125.4	158.7	3.3	64.2	-85.2	0	0	0	108.5	W70 D81 E397 L398 D400 G405 F406	W70-Y325 HydrophobicContact CB-CE1 4.07Å; W70-Y325 WeakPolarHBondContact CB-OH 3.44Å; W70-Y325 AromaticContact CE3-CE1 3.97Å; W70-Y325 HydrophobicContact CE3-CE1 3.97Å; D81-Y325 VanDerWaalsContact CB-OH 3.26Å; D81-Y325 WeakPolarHBondContact CB-OH 3.41Å; D81-Y325 PolarHBondContact OD2-OH 3.2Å; Y325-E397 PolarHBondContact N-OE2 3.29Å; Y325-L398 WeakPolarHBondContact CA-O 3.49Å; Y325-D400 WeakPolarHBondContact CB-O 3.49Å; Y325-D400 WeakPolarHBondContact CD2-O 3.43Å; Y325-G405 VanDerWaalsContact CD1-CA 3.44Å; Y325-F406 AromaticContact CD1-CD1 3.73Å; Y325-F406 HydrophobicContact CD1-CD1 3.73Å; Y325-F406 AromaticContact CD1-CE1 3.53Å; Y325-F406 HydrophobicContact CD1-CE1 3.53Å; Y325-F406 HydrophobicContact CD1-CG 4.3Å; Y325-F406 AromaticContact CD1-CZ 3.95Å; Y325-F406 HydrophobicContact CD1-CZ 3.95Å; Y325-F406 HydrophobicContact CE1-CD1 4.17Å; Y325-F406 HydrophobicContact CE1-CD2 4.38Å; Y325-F406 AromaticContact CE1-CE1 3.78Å; Y325-F406 HydrophobicContact CE1-CE1 3.78Å; Y325-F406 HydrophobicContact CE1-CE2 4.02Å; Y325-F406 HydrophobicContact CE1-CG 4.45Å; Y325-F406 AromaticContact CE1-CZ 3.68Å; Y325-F406 HydrophobicContact CE1-CZ 3.68Å
326	S	97.9	Very high	97.9	Very high	7 Å²	7	11.9 Å²	11.9	5%	0.049	5%	0.054	C	C	.	.	S	Bend	trans	167.4	-4.5	160.9	-85.4	0	0	0	0	112.6	L398 D400	S326-L398 PolarHBondContact N-O 3.5Å; S326-D400 WeakPolarHBondContact CA-O 3.45Å; S326-D400 PolarHBondContact N-O 3.39Å; S326-D400 VanDerWaalsContact N-O 3.12Å
327	Q	98.6	Very high	97.7	Very high	26 Å²	26	17.1 Å²	17.1	12%	0.121	8%	0.082	C	C	.	.	S	Bend	trans	57.2	64.7	-172.5	-62.9	176	-168.7	0	0	111.8	I363 E364 Y365 F366 E397 L398 R399 T401	Q327-I363 VanDerWaalsContact CD-CG2 3.43Å; Q327-I363 HydrophobicContact CG-CG2 4.24Å; Q327-I363 VanDerWaalsContact NE2-CG2 3.28Å; Q327-E364 PolarHBondContact NE2-O 2.86Å; Q327-Y365 HydrophobicContact CB-CD1 4.28Å; Q327-Y365 HydrophobicContact CB-CD2 3.64Å; Q327-Y365 HydrophobicContact CB-CE1 4.29Å; Q327-Y365 HydrophobicContact CB-CE2 3.65Å; Q327-Y365 HydrophobicContact CB-CG 3.95Å; Q327-Y365 HydrophobicContact CG-CD2 4.09Å; Q327-Y365 HydrophobicContact CG-CE2 3.61Å; Q327-Y365 CarbonylContact O-C 3.58Å; Q327-Y365 VanDerWaalsContact O-CA 3.23Å; Q327-Y365 WeakPolarHBondContact O-CA 3.18Å; Q327-F366 PolarHBondContact O-N 3.16Å; Q327-E397 CarbonylContact C-O 3.54Å; Q327-E397 WeakPolarHBondContact CA-O 3.33Å; Q327-E397 PolarHBondContact N-O 3.07Å; Q327-L398 PolarHBondContact N-O 3.09Å; Q327-L398 VanDerWaalsContact N-O 3.11Å; Q327-R399 HydrophobicContact CG-CG 4.48Å; Q327-T401 HydrophobicContact CB-CG2 4.23Å; Q327-T401 HydrophobicContact CG-CG2 4.06Å
328	M	98.4	Very high	97.4	Very high	6 Å²	6	22.2 Å²	22.2	3%	0.03	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	144.9	179	-53.2	-179.5	166.5	0	0	111.7	M330 F366 T373 L374 F396 E397	M328-M330 HydrophobicContact CB-CE 4.31Å; M328-M330 HydrophobicContact CB-CG 4.01Å; M328-M330 HydrophobicContact CB-SD 4.17Å; M328-M330 HydrophobicContact SD-SD 4.16Å; M328-F366 CarbonylContact C-O 3.58Å; M328-F366 WeakPolarHBondContact CA-O 3.36Å; M328-F366 HydrophobicContact CG-CB 4.32Å; M328-T373 HydrophobicContact CE-CG2 4.49Å; M328-T373 HydrophobicContact CG-CG2 4.38Å; M328-T373 HydrophobicContact SD-CG2 3.95Å; M328-L374 HydrophobicContact CE-CD1 4.47Å; M328-L374 HydrophobicContact SD-CB 4.23Å; M328-L374 HydrophobicContact SD-CD1 4.04Å; M328-F396 CarbonylContact O-C 3.52Å; M328-F396 WeakPolarHBondContact O-CA 3.34Å; M328-E397 HydrophobicContact CB-CB 4Å; M328-E397 HydrophobicContact CB-CG 4.36Å; M328-E397 HydrophobicContact CG-CB 4.43Å; M328-E397 PolarHBondContact N-O 2.73Å; M328-E397 PolarHBondContact O-N 3.16Å
329	L	98.8	Very high	97.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	111.5	165.5	174.8	55.9	0	0	0	108.7	A350 A353 V354 F366 F367 G368 F394 F396 I427	L329-A350 HydrophobicContact CD2-CB 4.24Å; L329-A350 HydrophobicContact CG-CB 4.33Å; L329-A353 HydrophobicContact CD2-CB 3.57Å; L329-V354 HydrophobicContact CB-CG2 3.82Å; L329-V354 HydrophobicContact CD2-CG2 4.07Å; L329-F366 PolarHBondContact N-O 3.45Å; L329-F367 HydrophobicContact CB-CB 4.4Å; L329-F367 WeakPolarHBondContact O-CA 3.29Å; L329-F367 WeakPolarHBondContact O-CB 3.26Å; L329-G368 PolarHBondContact O-N 3.14Å; L329-F394 HydrophobicContact CD1-CB 4.03Å; L329-F394 HydrophobicContact CD1-CD1 3.92Å; L329-F394 HydrophobicContact CD1-CG 4.29Å; L329-F394 HydrophobicContact CG-CD1 4.33Å; L329-F396 HydrophobicContact CB-CE1 4.38Å; L329-F396 HydrophobicContact CD1-CD1 4.13Å; L329-F396 HydrophobicContact CD1-CD2 3.75Å; L329-F396 HydrophobicContact CD1-CE1 3.86Å; L329-F396 HydrophobicContact CD1-CE2 3.46Å; L329-F396 VanDerWaalsContact CD1-CE2 3.46Å; L329-F396 HydrophobicContact CD1-CG 4.08Å; L329-F396 HydrophobicContact CD1-CZ 3.52Å; L329-F396 HydrophobicContact CD2-CE1 4.31Å; L329-F396 HydrophobicContact CD2-CZ 4.05Å; L329-F396 HydrophobicContact CG-CE1 4.41Å; L329-F396 HydrophobicContact CG-CZ 4.3Å; L329-I427 HydrophobicContact CD1-CD1 4.42Å; L329-I427 HydrophobicContact CD2-CD1 4.38Å
330	M	98.6	Very high	97.1	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	157.2	-170.1	-55.1	170.9	-71.4	0	0	111.7	M328 G368 I370 T373 L374 F394 S395 E397	M328-M330 HydrophobicContact CB-CE 4.31Å; M328-M330 HydrophobicContact CB-CG 4.01Å; M328-M330 HydrophobicContact CB-SD 4.17Å; M328-M330 HydrophobicContact SD-SD 4.16Å; M330-G368 VanDerWaalsContact CA-O 3.22Å; M330-G368 WeakPolarHBondContact CA-O 3.12Å; M330-I370 HydrophobicContact CB-CB 4.5Å; M330-I370 HydrophobicContact CB-CD1 4.42Å; M330-I370 HydrophobicContact CB-CG1 3.45Å; M330-I370 VanDerWaalsContact CB-CG1 3.45Å; M330-I370 HydrophobicContact CE-CG1 4.44Å; M330-I370 HydrophobicContact CG-CG1 4.31Å; M330-I370 HydrophobicContact SD-CG1 4.06Å; M330-T373 HydrophobicContact CG-CG2 4.12Å; M330-T373 HydrophobicContact SD-CG2 4.41Å; M330-L374 HydrophobicContact CE-CD2 4.12Å; M330-L374 HydrophobicContact SD-CB 3.63Å; M330-L374 HydrophobicContact SD-CD2 4.17Å; M330-L374 HydrophobicContact SD-CG 4.49Å; M330-F394 CarbonylContact O-C 3.54Å; M330-F394 VanDerWaalsContact O-CA 3.29Å; M330-F394 WeakPolarHBondContact O-CA 3.43Å; M330-S395 PolarHBondContact N-O 2.58Å; M330-S395 PolarHBondContact O-N 3.39Å; M330-E397 HydrophobicContact CE-CG 3.55Å
331	Y	98.7	Very high	97	Very high	4 Å²	4	32 Å²	32	2%	0.016	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	169.1	173.8	56.2	-94.2	0	0	0	110.4	V340 Q343 L346 Y347 A350 G368 S369 I370 F394	Y331-V340 HydrophobicContact CD2-CG2 4.35Å; Y331-V340 HydrophobicContact CE2-CG2 4.45Å; Y331-Q343 HydrophobicContact CE2-CG 4.28Å; Y331-L346 HydrophobicContact CD1-CB 4.14Å; Y331-L346 HydrophobicContact CD2-CB 3.79Å; Y331-L346 HydrophobicContact CD2-CD1 4.08Å; Y331-L346 HydrophobicContact CE1-CB 4.48Å; Y331-L346 HydrophobicContact CE2-CB 4.18Å; Y331-L346 HydrophobicContact CG-CB 3.8Å; Y331-L346 HydrophobicContact CG-CD1 4.42Å; Y331-Y347 WeakPolarHBondContact OH-CD2 3.49Å; Y331-A350 HydrophobicContact CD1-CB 4.11Å; Y331-A350 HydrophobicContact CE1-CB 4.24Å; Y331-G368 WeakPolarHBondContact CD1-O 3.46Å; Y331-G368 WeakPolarHBondContact CE1-O 3.36Å; Y331-G368 PolarHBondContact N-O 3.2Å; Y331-G368 VanDerWaalsContact N-O 3.07Å; Y331-S369 CarbonylContact O-C 3.58Å; Y331-S369 WeakPolarHBondContact O-CA 3.45Å; Y331-I370 PolarHBondContact O-N 3.39Å; Y331-F394 HydrophobicContact CD1-CE1 4.14Å; Y331-F394 HydrophobicContact CG-CE1 4.38Å
332	P	98.4	Very high	96.9	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.178	C	C	.	.	S	Bend	trans	-60.3	157.2	180	-29	37.8	0	0	0	114.3	V340 V382 D383 Y386 A393	P332-V340 HydrophobicContact CB-CG1 3.78Å; P332-V340 WeakPolarHBondContact O-CG1 3.49Å; P332-V382 HydrophobicContact CG-CB 4.12Å; P332-V382 HydrophobicContact CG-CG2 4.13Å; P332-V382 WeakPolarHBondContact CG-O 3.49Å; P332-D383 WeakPolarHBondContact CB-OD1 3.44Å; P332-Y386 HydrophobicContact CB-CG 4.26Å; P332-Y386 HydrophobicContact CG-CG 4.19Å; P332-A393 WeakPolarHBondContact CD-O 3.36Å; P332-A393 HydrophobicContact CG-CB 4.04Å
333	Y	97.8	Very high	96.8	Very high	29 Å²	29	36.9 Å²	36.9	11%	0.114	20%	0.196	C	C	.	.			cis	-94.5	149.2	-1.3	-72.2	-71.8	0	0	0	112.9	R335 V340 S371 D383 Y386 D387	Y333-R335 HydrophobicContact CD1-CG 4.17Å; Y333-V340 HydrophobicContact CD2-CG1 3.47Å; Y333-V340 VanDerWaalsContact CD2-CG1 3.47Å; Y333-V340 HydrophobicContact CE2-CB 4.3Å; Y333-V340 HydrophobicContact CE2-CG1 3.39Å; Y333-V340 HydrophobicContact CG-CG1 4.12Å; Y333-S371 WeakPolarHBondContact O-CB 3.28Å; Y333-S371 PolarHBondContact O-N 3.4Å; Y333-S371 PolarHBondContact O-OG 3.08Å; Y333-S371 VanDerWaalsContact O-OG 3.09Å; Y333-D383 WeakPolarHBondContact CA-OD1 3.38Å; Y333-D383 HydrophobicContact CD1-CB 4.18Å; Y333-Y386 AromaticContact CE1-CD1 3.97Å; Y333-Y386 HydrophobicContact CE1-CD1 3.97Å; Y333-Y386 HydrophobicContact CE2-CD1 4.45Å; Y333-Y386 HydrophobicContact CE2-CE1 4.31Å; Y333-Y386 AromaticContact CZ-CD1 3.66Å; Y333-Y386 AromaticContact CZ-CE1 3.86Å; Y333-Y386 WeakPolarHBondContact OH-CD1 3.38Å; Y333-Y386 WeakPolarHBondContact OH-CE1 3.32Å; Y333-D387 WeakPolarHBondContact CE1-OD1 3.47Å; Y333-D387 VanDerWaalsContact CZ-OD1 3.28Å; Y333-D387 PolarHBondContact OH-OD1 2.83Å
334	G	96.1	Very high	96.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.233	C	C	.	.	S	Bend	trans	-86.7	-38.5	159.6	0	0	0	0	0	112.1	S336 V376 A377 D383	G334-S336 VanDerWaalsContact C-N 3.28Å; G334-S336 PolarHBondContact O-N 3.37Å; G334-V376 CarbonylContact O-C 3.45Å; G334-V376 VanDerWaalsContact O-CA 3.29Å; G334-V376 WeakPolarHBondContact O-CA 3.36Å; G334-A377 CarbonylContact C-O 3.46Å; G334-A377 PolarHBondContact O-N 3.27Å; G334-D383 WeakPolarHBondContact CA-OD2 3.3Å; G334-D383 VanDerWaalsContact N-CG 3.32Å; G334-D383 PolarHBondContact N-OD1 2.92Å; G334-D383 PolarHBondContact N-OD2 3.11Å
335	R	92.8	Very high	96.7	Very high	90 Å²	90	48.6 Å²	48.6	34%	0.34	24%	0.241	S	C	.	.	S	Bend	trans	-72.1	-15.1	-174.1	68.2	177.5	171.4	78.7	-1.7	115.2	S276 Y333 A377 D383 D387	S276-R335 WeakPolarHBondContact OG-CD 3.38Å; S276-R335 PolarHBondContact OG-NE 3.19Å; Y333-R335 HydrophobicContact CD1-CG 4.17Å; R335-A377 WeakPolarHBondContact CA-O 3.38Å; R335-A377 PolarHBondContact N-O 3.34Å; R335-D383 WeakPolarHBondContact CB-OD2 3.24Å; R335-D383 WeakPolarHBondContact CG-OD2 3.39Å; R335-D383 PolarHBondContact N-OD2 3.13Å; R335-D387 IonicContact CZ-OD2 2.87Å; R335-D387 IonicContact NE-OD2 3.81Å; R335-D387 PolarHBondContact NE-OD2 3.28Å; R335-D387 IonicContact NH2-OD1 2.73Å; R335-D387 PolarHBondContact NH2-OD1 2.67Å; R335-D387 IonicContact NH2-OD2 3.4Å; R335-D387 PolarHBondContact NH2-OD2 3.43Å
336	S	92.8	Very high	96.7	Very high	27 Å²	27	48.2 Å²	48.2	19%	0.189	24%	0.24	C	C	.	.			trans	-145.7	152.8	-175.5	-172	0	0	0	0	111.4	G334 E338 S371	G334-S336 VanDerWaalsContact C-N 3.28Å; G334-S336 PolarHBondContact O-N 3.37Å; S336-E338 VanDerWaalsContact C-N 3.26Å; S336-E338 WeakPolarHBondContact OG-CB 3.27Å; S336-E338 PolarHBondContact OG-N 3.26Å; S336-S371 WeakPolarHBondContact O-CB 3.48Å; S336-S371 PolarHBondContact O-OG 2.87Å
337	L	92.9	Very high	96.8	Very high	122 Å²	122	52.7 Å²	52.7	64%	0.639	26%	0.256	S	S	*	.	S	Bend	trans	-80.4	-11.3	166.7	-66.3	174.9	0	0	0	112.1	T372 V376	L337-T372 HydrophobicContact CD2-CG2 4.19Å; L337-V376 HydrophobicContact CD2-CG2 4.45Å
338	E	93.7	Very high	96.8	Very high	142 Å²	142	55 Å²	55	66%	0.664	27%	0.27	S	S	*	.	S	Bend	trans	-66.2	133.4	172.7	-66.8	-178.5	162.1	0	0	110.2	S336	S336-E338 VanDerWaalsContact C-N 3.26Å; S336-E338 WeakPolarHBondContact OG-CB 3.27Å; S336-E338 PolarHBondContact OG-N 3.26Å
339	P	94.9	Very high	96.8	Very high	78 Å²	78	54.9 Å²	54.9	51%	0.506	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-72.9	151.9	179.9	30	-34.6	0	0	0	112.3	Q343	P339-Q343 HydrophobicContact CB-CB 4.18Å; P339-Q343 HydrophobicContact CB-CG 4.26Å
340	V	96.6	Very high	96.8	Very high	6 Å²	6	54.9 Å²	54.9	4%	0.036	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-63.8	152.6	165.6	-72.8	0	0	0	0	112	Y331 P332 Y333 N342 Q343 L346 Y386	Y331-V340 HydrophobicContact CD2-CG2 4.35Å; Y331-V340 HydrophobicContact CE2-CG2 4.45Å; P332-V340 HydrophobicContact CB-CG1 3.78Å; P332-V340 WeakPolarHBondContact O-CG1 3.49Å; Y333-V340 HydrophobicContact CD2-CG1 3.47Å; Y333-V340 VanDerWaalsContact CD2-CG1 3.47Å; Y333-V340 HydrophobicContact CE2-CB 4.3Å; Y333-V340 HydrophobicContact CE2-CG1 3.39Å; Y333-V340 HydrophobicContact CG-CG1 4.12Å; V340-N342 VanDerWaalsContact C-N 3.27Å; V340-N342 PolarHBondContact O-N 2.9Å; V340-Q343 HydrophobicContact CG2-CB 3.95Å; V340-Q343 WeakPolarHBondContact O-CB 3.4Å; V340-Q343 PolarHBondContact O-N 3.35Å; V340-Q343 VanDerWaalsContact O-N 3.1Å; V340-L346 HydrophobicContact CG2-CD1 3.77Å; V340-Y386 HydrophobicContact CB-CE1 3.93Å; V340-Y386 HydrophobicContact CB-CE2 4.23Å; V340-Y386 HydrophobicContact CG1-CD1 3.91Å; V340-Y386 HydrophobicContact CG1-CD2 4.49Å; V340-Y386 HydrophobicContact CG1-CE1 3.54Å; V340-Y386 HydrophobicContact CG1-CE2 4.15Å; V340-Y386 HydrophobicContact CG1-CG 4.38Å
341	S	96.5	Very high	96.8	Very high	122 Å²	122	58.8 Å²	58.8	85%	0.853	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-32.9	-175.5	65.1	0	0	0	0	114	Y386	S341-Y386 PolarHBondContact N-OH 3.03Å; S341-Y386 PolarHBondContact OG-OH 3.48Å
342	N	95.7	Very high	96.8	Very high	21 Å²	21	62.5 Å²	62.5	11%	0.112	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	30.4	177.5	66.5	-41.9	0	0	0	112.7	V340 R344 E345 L346 Y386 K391	V340-N342 VanDerWaalsContact C-N 3.27Å; V340-N342 PolarHBondContact O-N 2.9Å; N342-R344 VanDerWaalsContact C-N 3.28Å; N342-R344 PolarHBondContact O-N 3Å; N342-E345 PolarHBondContact O-N 2.89Å; N342-E345 VanDerWaalsContact O-N 3.14Å; N342-L346 WeakPolarHBondContact ND2-CG 3.48Å; N342-L346 PolarHBondContact O-N 3.36Å; N342-Y386 WeakPolarHBondContact OD1-CE2 3.19Å; N342-Y386 PolarHBondContact OD1-OH 3.03Å; N342-K391 WeakPolarHBondContact ND2-CE 3.44Å; N342-K391 VanDerWaalsContact ND2-CG 3.31Å; N342-K391 WeakPolarHBondContact ND2-CG 3.47Å
343	Q	96.9	Very high	96.8	Very high	83 Å²	83	62.5 Å²	62.5	39%	0.388	31%	0.306	S	S	.	.	H	α-helix	trans	-50.9	-43.6	-174.6	-179.9	-172.2	5.5	0	0	113.6	Y331 P339 V340 E345 L346 Y347	Y331-Q343 HydrophobicContact CE2-CG 4.28Å; P339-Q343 HydrophobicContact CB-CB 4.18Å; P339-Q343 HydrophobicContact CB-CG 4.26Å; V340-Q343 HydrophobicContact CG2-CB 3.95Å; V340-Q343 WeakPolarHBondContact O-CB 3.4Å; V340-Q343 PolarHBondContact O-N 3.35Å; V340-Q343 VanDerWaalsContact O-N 3.1Å; Q343-E345 VanDerWaalsContact C-N 3.31Å; Q343-E345 PolarHBondContact O-N 3.31Å; Q343-L346 PolarHBondContact O-N 3.21Å; Q343-Y347 VanDerWaalsContact O-CB 3.28Å; Q343-Y347 WeakPolarHBondContact O-CB 3.45Å; Q343-Y347 PolarHBondContact O-N 3.29Å
344	R	98.1	Very high	96.9	Very high	206 Å²	206	61.7 Å²	61.7	78%	0.777	30%	0.304	S	S	*	.	H	α-helix	trans	-57.1	-47	-177.8	-179	178.2	-68.3	170.7	-1.1	111.4	N342 Y347 D348	N342-R344 VanDerWaalsContact C-N 3.28Å; N342-R344 PolarHBondContact O-N 3Å; R344-Y347 PolarHBondContact O-N 3.31Å; R344-D348 WeakPolarHBondContact O-CB 3.5Å; R344-D348 VanDerWaalsContact O-CG 3.27Å; R344-D348 PolarHBondContact O-N 2.81Å
345	E	98.5	Very high	97	Very high	42 Å²	42	65.6 Å²	65.6	20%	0.196	32%	0.322	C	S	.	.	H	α-helix	trans	-67.8	-41.1	-178.9	-176.1	178.9	177	0	0	112.4	N342 Q343 Y347 D348 L349 K391 Y392 H430 Y436	N342-E345 PolarHBondContact O-N 2.89Å; N342-E345 VanDerWaalsContact O-N 3.14Å; Q343-E345 VanDerWaalsContact C-N 3.31Å; Q343-E345 PolarHBondContact O-N 3.31Å; E345-Y347 VanDerWaalsContact C-N 3.31Å; E345-Y347 PolarHBondContact O-N 3.06Å; E345-D348 PolarHBondContact O-N 2.99Å; E345-L349 VanDerWaalsContact O-CB 3.24Å; E345-L349 WeakPolarHBondContact O-CB 3.21Å; E345-L349 PolarHBondContact O-N 3.36Å; E345-K391 IonicContact OE1-NZ 3.77Å; E345-K391 PolarHBondContact OE1-NZ 3.48Å; E345-K391 VanDerWaalsContact OE2-CE 3.22Å; E345-K391 WeakPolarHBondContact OE2-CE 3.31Å; E345-K391 IonicContact OE2-NZ 2.84Å; E345-K391 PolarHBondContact OE2-NZ 3.07Å; E345-Y392 PolarHBondContact OE1-OH 2.93Å; E345-H430 IonicContact OE1-CE1 3.06Å; E345-H430 IonicContact OE1-NE2 3.45Å; E345-H430 PolarHBondContact OE1-NE2 2.87Å; E345-Y436 PolarHBondContact OE1-OH 3.34Å; E345-Y436 PolarHBondContact OE2-OH 2.96Å
346	L	98.6	Very high	97.3	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-67	-35.3	176.3	-67.1	173.7	0	0	0	112	Y331 V340 N342 Q343 A350 Y386 Y392 F394	Y331-L346 HydrophobicContact CD1-CB 4.14Å; Y331-L346 HydrophobicContact CD2-CB 3.79Å; Y331-L346 HydrophobicContact CD2-CD1 4.08Å; Y331-L346 HydrophobicContact CE1-CB 4.48Å; Y331-L346 HydrophobicContact CE2-CB 4.18Å; Y331-L346 HydrophobicContact CG-CB 3.8Å; Y331-L346 HydrophobicContact CG-CD1 4.42Å; V340-L346 HydrophobicContact CG2-CD1 3.77Å; N342-L346 WeakPolarHBondContact ND2-CG 3.48Å; N342-L346 PolarHBondContact O-N 3.36Å; Q343-L346 PolarHBondContact O-N 3.21Å; L346-A350 VanDerWaalsContact O-CB 3.22Å; L346-A350 WeakPolarHBondContact O-CB 3.42Å; L346-A350 PolarHBondContact O-N 3.46Å; L346-Y386 HydrophobicContact CD1-CE2 4.15Å; L346-Y392 HydrophobicContact CD2-CD1 4.1Å; L346-F394 HydrophobicContact CB-CZ 4.45Å; L346-F394 HydrophobicContact CD2-CE1 4.43Å; L346-F394 HydrophobicContact CD2-CE2 3.95Å; L346-F394 HydrophobicContact CD2-CZ 3.62Å
347	Y	98.6	Very high	97.6	Very high	102 Å²	102	60.7 Å²	60.7	40%	0.4	30%	0.303	S	S	.	.	H	α-helix	trans	-65.4	-49.8	174.9	-177.3	-91.3	0	0	0	111.7	Y331 Q343 R344 E345 L349 A350 K351 F367	Y331-Y347 WeakPolarHBondContact OH-CD2 3.49Å; Q343-Y347 VanDerWaalsContact O-CB 3.28Å; Q343-Y347 WeakPolarHBondContact O-CB 3.45Å; Q343-Y347 PolarHBondContact O-N 3.29Å; R344-Y347 PolarHBondContact O-N 3.31Å; E345-Y347 VanDerWaalsContact C-N 3.31Å; E345-Y347 PolarHBondContact O-N 3.06Å; Y347-L349 VanDerWaalsContact C-N 3.34Å; Y347-L349 PolarHBondContact O-N 2.54Å; Y347-A350 PolarHBondContact O-N 3.37Å; Y347-K351 WeakPolarHBondContact O-CB 3.35Å; Y347-K351 PolarHBondContact O-N 3.26Å; Y347-F367 HydrophobicContact CD2-CD2 4.3Å; Y347-F367 HydrophobicContact CD2-CE2 4.12Å; Y347-F367 HydrophobicContact CE1-CE2 4.03Å; Y347-F367 HydrophobicContact CE2-CD2 4.02Å; Y347-F367 AromaticContact CE2-CE2 3.58Å; Y347-F367 HydrophobicContact CE2-CE2 3.58Å; Y347-F367 AromaticContact CZ-CE2 3.53Å
348	D	98.7	Very high	97.8	Very high	75 Å²	75	60.3 Å²	60.3	40%	0.401	29%	0.293	S	S	.	.	H	α-helix	trans	-63.3	-42.2	179.4	-67.8	-24.7	0	0	0	110.6	R344 E345 K351 D352	R344-D348 WeakPolarHBondContact O-CB 3.5Å; R344-D348 VanDerWaalsContact O-CG 3.27Å; R344-D348 PolarHBondContact O-N 2.81Å; E345-D348 PolarHBondContact O-N 2.99Å; D348-K351 WeakPolarHBondContact O-CB 3.43Å; D348-K351 PolarHBondContact O-N 3.41Å; D348-D352 PolarHBondContact O-N 3.33Å
349	L	98.8	Very high	98.1	Very high	3 Å²	3	61.2 Å²	61.2	2%	0.016	30%	0.295	C	S	.	.	H	α-helix	trans	-64.9	-42	175.5	-179	55.9	0	0	0	112.7	E345 Y347 K351 D352 A353 Y392 F394 T426 I427 H430	E345-L349 VanDerWaalsContact O-CB 3.24Å; E345-L349 WeakPolarHBondContact O-CB 3.21Å; E345-L349 PolarHBondContact O-N 3.36Å; Y347-L349 VanDerWaalsContact C-N 3.34Å; Y347-L349 PolarHBondContact O-N 2.54Å; L349-K351 VanDerWaalsContact C-N 3.29Å; L349-K351 PolarHBondContact O-N 2.89Å; L349-D352 PolarHBondContact O-N 2.76Å; L349-A353 VanDerWaalsContact O-CB 3.31Å; L349-A353 WeakPolarHBondContact O-CB 3.29Å; L349-A353 PolarHBondContact O-N 3.3Å; L349-Y392 HydrophobicContact CD2-CD1 4.08Å; L349-F394 HydrophobicContact CB-CZ 4.28Å; L349-F394 HydrophobicContact CD2-CE2 3.73Å; L349-F394 HydrophobicContact CD2-CZ 3.79Å; L349-F394 HydrophobicContact CG-CE2 4.34Å; L349-F394 HydrophobicContact CG-CZ 4.01Å; L349-T426 HydrophobicContact CD1-CG2 4.16Å; L349-I427 HydrophobicContact CG-CG1 4.41Å; L349-H430 HydrophobicContact CD1-CB 3.48Å; L349-H430 VanDerWaalsContact CD1-CB 3.48Å; L349-H430 HydrophobicContact CD2-CB 3.92Å; L349-H430 HydrophobicContact CG-CB 4.36Å
350	A	98.8	Very high	98.3	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-62.3	-40.1	175.8	0	0	0	0	0	111.3	L329 Y331 L346 Y347 A353 V354 F367 F394	L329-A350 HydrophobicContact CD2-CB 4.24Å; L329-A350 HydrophobicContact CG-CB 4.33Å; Y331-A350 HydrophobicContact CD1-CB 4.11Å; Y331-A350 HydrophobicContact CE1-CB 4.24Å; L346-A350 VanDerWaalsContact O-CB 3.22Å; L346-A350 WeakPolarHBondContact O-CB 3.42Å; L346-A350 PolarHBondContact O-N 3.46Å; Y347-A350 PolarHBondContact O-N 3.37Å; A350-A353 PolarHBondContact O-N 3.29Å; A350-V354 WeakPolarHBondContact O-CB 3.47Å; A350-V354 WeakPolarHBondContact O-CG2 3.39Å; A350-V354 PolarHBondContact O-N 3.23Å; A350-F367 HydrophobicContact CB-CB 4.04Å; A350-F367 HydrophobicContact CB-CD2 4.06Å; A350-F367 HydrophobicContact CB-CG 4.33Å; A350-F394 HydrophobicContact CB-CE1 4.04Å
351	K	98.8	Very high	98.3	Very high	83 Å²	83	63.5 Å²	63.5	36%	0.361	30%	0.302	S	S	.	.	H	α-helix	trans	-60.3	-52.1	175.2	-178.6	-174.3	170	-163.4	0	111	Y347 D348 L349 A353 V354 E355 F367	Y347-K351 WeakPolarHBondContact O-CB 3.35Å; Y347-K351 PolarHBondContact O-N 3.26Å; D348-K351 WeakPolarHBondContact O-CB 3.43Å; D348-K351 PolarHBondContact O-N 3.41Å; L349-K351 VanDerWaalsContact C-N 3.29Å; L349-K351 PolarHBondContact O-N 2.89Å; K351-A353 VanDerWaalsContact C-N 3.28Å; K351-A353 PolarHBondContact O-N 2.95Å; K351-V354 PolarHBondContact O-N 3.16Å; K351-E355 WeakPolarHBondContact CE-OE1 3.4Å; K351-E355 IonicContact NZ-OE1 3.89Å; K351-E355 WeakPolarHBondContact O-CG 3.31Å; K351-E355 PolarHBondContact O-N 2.97Å; K351-F367 HydrophobicContact CB-CD2 4.37Å; K351-F367 HydrophobicContact CB-CE1 4.39Å; K351-F367 HydrophobicContact CB-CE2 3.63Å; K351-F367 HydrophobicContact CB-CZ 3.65Å; K351-F367 HydrophobicContact CD-CZ 4.43Å; K351-F367 HydrophobicContact CG-CE1 4.38Å; K351-F367 HydrophobicContact CG-CE2 4.21Å; K351-F367 HydrophobicContact CG-CZ 3.73Å
352	D	98.8	Very high	98.4	Very high	82 Å²	82	59.4 Å²	59.4	44%	0.439	28%	0.28	S	S	.	.	H	α-helix	trans	-60.3	-40	-179.5	-71.1	-11.9	0	0	0	111.7	D348 L349 E355 A356 T426	D348-D352 PolarHBondContact O-N 3.33Å; L349-D352 PolarHBondContact O-N 2.76Å; D352-E355 PolarHBondContact O-N 2.96Å; D352-A356 WeakPolarHBondContact O-CB 3.29Å; D352-A356 PolarHBondContact O-N 2.9Å; D352-T426 HydrophobicContact CB-CG2 4.05Å
353	A	98.9	Very high	98.5	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-66.5	-42.5	177.1	0	0	0	0	0	112.4	L329 L349 A350 K351 A356 L357 A423 T426 I427	L329-A353 HydrophobicContact CD2-CB 3.57Å; L349-A353 VanDerWaalsContact O-CB 3.31Å; L349-A353 WeakPolarHBondContact O-CB 3.29Å; L349-A353 PolarHBondContact O-N 3.3Å; A350-A353 PolarHBondContact O-N 3.29Å; K351-A353 VanDerWaalsContact C-N 3.28Å; K351-A353 PolarHBondContact O-N 2.95Å; A353-A356 PolarHBondContact O-N 2.89Å; A353-L357 PolarHBondContact O-N 3.19Å; A353-A423 HydrophobicContact CB-CB 4Å; A353-A423 WeakPolarHBondContact O-CB 3.4Å; A353-T426 HydrophobicContact CB-CG2 4.18Å; A353-I427 HydrophobicContact CB-CD1 4.35Å; A353-I427 HydrophobicContact CB-CG1 4.08Å
354	V	98.8	Very high	98.6	Very high	12 Å²	12	62.8 Å²	62.8	7%	0.073	30%	0.295	C	S	.	.	H	α-helix	trans	-65.9	-39.3	174.2	165.7	0	0	0	0	111.7	L329 A350 K351 A356 L357 Y358 Y365 F367	L329-V354 HydrophobicContact CB-CG2 3.82Å; L329-V354 HydrophobicContact CD2-CG2 4.07Å; A350-V354 WeakPolarHBondContact O-CB 3.47Å; A350-V354 WeakPolarHBondContact O-CG2 3.39Å; A350-V354 PolarHBondContact O-N 3.23Å; K351-V354 PolarHBondContact O-N 3.16Å; V354-A356 VanDerWaalsContact C-N 3.32Å; V354-A356 PolarHBondContact O-N 3.46Å; V354-L357 PolarHBondContact O-N 3.42Å; V354-Y358 WeakPolarHBondContact O-CB 3.1Å; V354-Y358 PolarHBondContact O-N 3.36Å; V354-Y365 WeakPolarHBondContact CG1-O 3.42Å; V354-F367 HydrophobicContact CB-CD1 4.11Å; V354-F367 HydrophobicContact CG1-CD1 4.18Å; V354-F367 HydrophobicContact CG2-CB 4.09Å; V354-F367 HydrophobicContact CG2-CD1 3.98Å; V354-F367 HydrophobicContact CG2-CG 4.34Å
355	E	98.8	Very high	98.6	Very high	81 Å²	81	53.5 Å²	53.5	38%	0.379	26%	0.26	S	S	.	.	H	α-helix	trans	-63.3	-38.7	174.6	-74.4	-175.4	-172.3	0	0	111.8	K351 D352 K359	K351-E355 WeakPolarHBondContact CE-OE1 3.4Å; K351-E355 IonicContact NZ-OE1 3.89Å; K351-E355 WeakPolarHBondContact O-CG 3.31Å; K351-E355 PolarHBondContact O-N 2.97Å; D352-E355 PolarHBondContact O-N 2.96Å; E355-K359 WeakPolarHBondContact O-CD 3.3Å; E355-K359 VanDerWaalsContact O-CG 3.28Å; E355-K359 WeakPolarHBondContact O-CG 3.27Å; E355-K359 PolarHBondContact O-N 2.92Å
356	A	98.8	Very high	98.5	Very high	14 Å²	14	58 Å²	58	12%	0.116	28%	0.28	C	S	.	.	H	α-helix	trans	-65.5	-42.6	175	0	0	0	0	0	112.1	D352 A353 V354 K359 M422 T426	D352-A356 WeakPolarHBondContact O-CB 3.29Å; D352-A356 PolarHBondContact O-N 2.9Å; A353-A356 PolarHBondContact O-N 2.89Å; V354-A356 VanDerWaalsContact C-N 3.32Å; V354-A356 PolarHBondContact O-N 3.46Å; A356-K359 PolarHBondContact O-N 3.45Å; A356-M422 HydrophobicContact CB-CB 4.2Å; A356-T426 WeakPolarHBondContact CB-OG1 3.08Å
357	L	98.8	Very high	98.5	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-60.1	-50	173.9	-174.4	156.7	0	0	0	111.4	A353 V354 K359 V360 I363 Y365 F396 E419 A423	A353-L357 PolarHBondContact O-N 3.19Å; V354-L357 PolarHBondContact O-N 3.42Å; L357-K359 PolarHBondContact O-N 3.38Å; L357-V360 PolarHBondContact O-N 3.35Å; L357-V360 VanDerWaalsContact O-N 3.11Å; L357-I363 HydrophobicContact CD2-CB 4.38Å; L357-Y365 HydrophobicContact CD1-CD1 4.06Å; L357-Y365 HydrophobicContact CD1-CD2 4.07Å; L357-Y365 HydrophobicContact CD1-CE1 3.92Å; L357-Y365 HydrophobicContact CD1-CE2 3.95Å; L357-Y365 HydrophobicContact CD1-CG 4.15Å; L357-Y365 HydrophobicContact CD2-CD2 3.58Å; L357-Y365 HydrophobicContact CD2-CE2 3.67Å; L357-Y365 HydrophobicContact CD2-CG 4.28Å; L357-Y365 HydrophobicContact CG-CE2 4.49Å; L357-F396 HydrophobicContact CD1-CE1 4.44Å; L357-E419 HydrophobicContact CD1-CG 4.39Å; L357-E419 HydrophobicContact CD2-CB 4.08Å; L357-E419 HydrophobicContact CD2-CG 3.96Å; L357-E419 HydrophobicContact CG-CB 3.84Å; L357-E419 HydrophobicContact CG-CG 3.89Å; L357-E419 WeakPolarHBondContact CG-O 3.18Å; L357-A423 HydrophobicContact CB-CB 4.18Å; L357-A423 HydrophobicContact CD1-CB 4.27Å
358	Y	98.8	Very high	98.4	Very high	114 Å²	114	56.1 Å²	56.1	45%	0.447	28%	0.275	S	S	.	.	H	α-helix	trans	-56.4	-38.8	-178.5	177.2	-95.3	0	0	0	112.2	V354 V360 G362 E364	V354-Y358 WeakPolarHBondContact O-CB 3.1Å; V354-Y358 PolarHBondContact O-N 3.36Å; Y358-V360 PolarHBondContact O-N 2.9Å; Y358-V360 VanDerWaalsContact O-N 3.08Å; Y358-G362 WeakPolarHBondContact CE2-O 3.17Å; Y358-G362 WeakPolarHBondContact O-CA 3.42Å; Y358-G362 PolarHBondContact O-N 3.3Å; Y358-E364 HydrophobicContact CD2-CG 4.22Å; Y358-E364 HydrophobicContact CE2-CG 3.97Å
359	K	98.8	Very high	98.3	Very high	161 Å²	161	53 Å²	53	70%	0.7	26%	0.259	S	S	*	.	H	α-helix	trans	-62	-17.4	-179	-74.4	165	-171.9	165.1	0	114.5	E355 A356 L357	E355-K359 WeakPolarHBondContact O-CD 3.3Å; E355-K359 VanDerWaalsContact O-CG 3.28Å; E355-K359 WeakPolarHBondContact O-CG 3.27Å; E355-K359 PolarHBondContact O-N 2.92Å; A356-K359 PolarHBondContact O-N 3.45Å; L357-K359 PolarHBondContact O-N 3.38Å
360	V	98.6	Very high	98.2	Very high	55 Å²	55	53.2 Å²	53.2	33%	0.333	26%	0.26	S	S	.	.	H	α-helix	trans	-79.8	-52.4	-178.4	-171.1	0	0	0	0	111.6	L357 Y358 Q418 E419 M422	L357-V360 PolarHBondContact O-N 3.35Å; L357-V360 VanDerWaalsContact O-N 3.11Å; Y358-V360 PolarHBondContact O-N 2.9Å; Y358-V360 VanDerWaalsContact O-N 3.08Å; V360-Q418 HydrophobicContact CG1-CB 4.33Å; V360-E419 HydrophobicContact CB-CB 3.92Å; V360-E419 HydrophobicContact CG1-CB 4.32Å; V360-E419 HydrophobicContact CG2-CB 4.27Å; V360-M422 HydrophobicContact CG2-CB 4.08Å; V360-M422 HydrophobicContact CG2-CG 3.42Å; V360-M422 VanDerWaalsContact CG2-CG 3.42Å
361	H	98.6	Very high	97.9	Very high	77 Å²	77	53.4 Å²	53.4	36%	0.356	26%	0.262	S	S	.	.	H	α-helix	trans	-131.9	2.1	-174.1	-59	126.4	0	0	0	114.8	I363 P415 E419	H361-I363 VanDerWaalsContact C-N 3.34Å; H361-I363 HydrophobicContact CB-CG1 4.11Å; H361-P415 VanDerWaalsContact CE1-CA 3.47Å; H361-P415 WeakPolarHBondContact CE1-CA 3.36Å; H361-P415 PolarHBondContact CE1-O 3.14Å; H361-P415 PolarHBondContact ND1-O 3.21Å; H361-E419 IonicContact CG-OE2 3.62Å; H361-E419 IonicContact ND1-OE2 2.87Å; H361-E419 PolarHBondContact ND1-OE2 3.36Å; H361-E419 VanDerWaalsContact ND1-OE2 3.07Å
362	G	98.3	Very high	97.5	Very high	37 Å²	37	52.6 Å²	52.6	38%	0.381	26%	0.264	S	S	.	.			trans	73.3	22.2	-176.9	0	0	0	0	0	114.3	Y358	Y358-G362 WeakPolarHBondContact CE2-O 3.17Å; Y358-G362 WeakPolarHBondContact O-CA 3.42Å; Y358-G362 PolarHBondContact O-N 3.3Å
363	I	97.6	Very high	97	Very high	36 Å²	36	49.5 Å²	49.5	19%	0.185	25%	0.248	C	C	.	.			trans	-84.3	122.9	178.7	-57.2	-55.6	0	0	0	110.4	Q327 L357 H361 Y365 E419	Q327-I363 VanDerWaalsContact CD-CG2 3.43Å; Q327-I363 HydrophobicContact CG-CG2 4.24Å; Q327-I363 VanDerWaalsContact NE2-CG2 3.28Å; L357-I363 HydrophobicContact CD2-CB 4.38Å; H361-I363 VanDerWaalsContact C-N 3.34Å; H361-I363 HydrophobicContact CB-CG1 4.11Å; I363-Y365 HydrophobicContact CG2-CD2 3.96Å; I363-Y365 HydrophobicContact CG2-CE2 3.69Å; I363-E419 VanDerWaalsContact CG1-OE2 3.31Å; I363-E419 WeakPolarHBondContact CG1-OE2 3.28Å
364	E	97.9	Very high	96.4	Very high	138 Å²	138	50.1 Å²	50.1	65%	0.645	25%	0.251	S	S	*	.			trans	-79.9	128.7	178.7	-63.2	-178.2	160.8	0	0	111.1	Q327 Y358	Q327-E364 PolarHBondContact NE2-O 2.86Å; Y358-E364 HydrophobicContact CD2-CG 4.22Å; Y358-E364 HydrophobicContact CE2-CG 3.97Å
365	Y	98.4	Very high	95.8	Very high	11 Å²	11	52.3 Å²	52.3	4%	0.043	26%	0.258	C	S	.	.			trans	-114.8	140.6	170.9	-87.1	-128.8	0	0	0	109.7	Q327 V354 L357 I363 F396 E397 L398 R399	Q327-Y365 HydrophobicContact CB-CD1 4.28Å; Q327-Y365 HydrophobicContact CB-CD2 3.64Å; Q327-Y365 HydrophobicContact CB-CE1 4.29Å; Q327-Y365 HydrophobicContact CB-CE2 3.65Å; Q327-Y365 HydrophobicContact CB-CG 3.95Å; Q327-Y365 HydrophobicContact CG-CD2 4.09Å; Q327-Y365 HydrophobicContact CG-CE2 3.61Å; Q327-Y365 CarbonylContact O-C 3.58Å; Q327-Y365 VanDerWaalsContact O-CA 3.23Å; Q327-Y365 WeakPolarHBondContact O-CA 3.18Å; V354-Y365 WeakPolarHBondContact CG1-O 3.42Å; L357-Y365 HydrophobicContact CD1-CD1 4.06Å; L357-Y365 HydrophobicContact CD1-CD2 4.07Å; L357-Y365 HydrophobicContact CD1-CE1 3.92Å; L357-Y365 HydrophobicContact CD1-CE2 3.95Å; L357-Y365 HydrophobicContact CD1-CG 4.15Å; L357-Y365 HydrophobicContact CD2-CD2 3.58Å; L357-Y365 HydrophobicContact CD2-CE2 3.67Å; L357-Y365 HydrophobicContact CD2-CG 4.28Å; L357-Y365 HydrophobicContact CG-CE2 4.49Å; I363-Y365 HydrophobicContact CG2-CD2 3.96Å; I363-Y365 HydrophobicContact CG2-CE2 3.69Å; Y365-F396 HydrophobicContact CE1-CD1 4.37Å; Y365-E397 WeakPolarHBondContact CE1-O 3.49Å; Y365-L398 WeakPolarHBondContact OH-CA 3.06Å; Y365-R399 PolarHBondContact OH-N 3.11Å
366	F	96.7	Very high	95.4	Very high	138 Å²	138	50.6 Å²	50.6	61%	0.605	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.6	151.4	166.9	-66.2	-78.3	0	0	0	110.3	Q327 M328 L329 T373	Q327-F366 PolarHBondContact O-N 3.16Å; M328-F366 CarbonylContact C-O 3.58Å; M328-F366 WeakPolarHBondContact CA-O 3.36Å; M328-F366 HydrophobicContact CG-CB 4.32Å; L329-F366 PolarHBondContact N-O 3.45Å; F366-T373 HydrophobicContact CB-CG2 4.12Å
367	F	97.9	Very high	95.1	Very high	56 Å²	56	50.1 Å²	50.1	25%	0.246	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	155.5	176	62.5	-87.4	0	0	0	113	L329 Y347 A350 K351 V354	L329-F367 HydrophobicContact CB-CB 4.4Å; L329-F367 WeakPolarHBondContact O-CA 3.29Å; L329-F367 WeakPolarHBondContact O-CB 3.26Å; Y347-F367 HydrophobicContact CD2-CD2 4.3Å; Y347-F367 HydrophobicContact CD2-CE2 4.12Å; Y347-F367 HydrophobicContact CE1-CE2 4.03Å; Y347-F367 HydrophobicContact CE2-CD2 4.02Å; Y347-F367 AromaticContact CE2-CE2 3.58Å; Y347-F367 HydrophobicContact CE2-CE2 3.58Å; Y347-F367 AromaticContact CZ-CE2 3.53Å; A350-F367 HydrophobicContact CB-CB 4.04Å; A350-F367 HydrophobicContact CB-CD2 4.06Å; A350-F367 HydrophobicContact CB-CG 4.33Å; K351-F367 HydrophobicContact CB-CD2 4.37Å; K351-F367 HydrophobicContact CB-CE1 4.39Å; K351-F367 HydrophobicContact CB-CE2 3.63Å; K351-F367 HydrophobicContact CB-CZ 3.65Å; K351-F367 HydrophobicContact CD-CZ 4.43Å; K351-F367 HydrophobicContact CG-CE1 4.38Å; K351-F367 HydrophobicContact CG-CE2 4.21Å; K351-F367 HydrophobicContact CG-CZ 3.73Å; V354-F367 HydrophobicContact CB-CD1 4.11Å; V354-F367 HydrophobicContact CG1-CD1 4.18Å; V354-F367 HydrophobicContact CG2-CB 4.09Å; V354-F367 HydrophobicContact CG2-CD1 3.98Å; V354-F367 HydrophobicContact CG2-CG 4.34Å
368	G	97.6	Very high	95	Very high	5 Å²	5	50.2 Å²	50.2	5%	0.052	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	153.7	-168.8	-177.1	0	0	0	0	0	112.3	L329 M330 Y331 T373	L329-G368 PolarHBondContact O-N 3.14Å; M330-G368 VanDerWaalsContact CA-O 3.22Å; M330-G368 WeakPolarHBondContact CA-O 3.12Å; Y331-G368 WeakPolarHBondContact CD1-O 3.46Å; Y331-G368 WeakPolarHBondContact CE1-O 3.36Å; Y331-G368 PolarHBondContact N-O 3.2Å; Y331-G368 VanDerWaalsContact N-O 3.07Å; G368-T373 VanDerWaalsContact C-OG1 3.28Å; G368-T373 VanDerWaalsContact CA-OG1 3.25Å; G368-T373 WeakPolarHBondContact CA-OG1 3.47Å; G368-T373 PolarHBondContact N-OG1 3.13Å
369	S	97.2	Very high	94.9	Very high	10 Å²	10	44.8 Å²	44.8	7%	0.07	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	150.2	172.4	72.6	0	0	0	0	110.5	Y331 S371 T372 T373	Y331-S369 CarbonylContact O-C 3.58Å; Y331-S369 WeakPolarHBondContact O-CA 3.45Å; S369-S371 VanDerWaalsContact C-N 3.33Å; S369-S371 PolarHBondContact O-N 2.92Å; S369-S371 PolarHBondContact OG-OG 3.48Å; S369-T372 PolarHBondContact O-N 3.16Å; S369-T372 PolarHBondContact O-OG1 2.73Å; S369-T372 WeakPolarHBondContact OG-CB 3.5Å; S369-T372 WeakPolarHBondContact OG-CG2 3.29Å; S369-T372 PolarHBondContact OG-N 3.19Å; S369-T372 PolarHBondContact OG-OG1 3.06Å; S369-T373 VanDerWaalsContact O-CB 3.28Å; S369-T373 WeakPolarHBondContact O-CB 3.49Å; S369-T373 PolarHBondContact O-N 2.96Å; S369-T373 PolarHBondContact O-OG1 3.16Å
370	I	96.1	Very high	94.9	Very high	7 Å²	7	37.4 Å²	37.4	4%	0.036	20%	0.197	C	C	.	.	H	α-helix	trans	-57.1	-46.7	-179.5	-70.8	173.2	0	0	0	111.4	M330 Y331 T372 T373 L374 Y375 I380 V382	M330-I370 HydrophobicContact CB-CB 4.5Å; M330-I370 HydrophobicContact CB-CD1 4.42Å; M330-I370 HydrophobicContact CB-CG1 3.45Å; M330-I370 VanDerWaalsContact CB-CG1 3.45Å; M330-I370 HydrophobicContact CE-CG1 4.44Å; M330-I370 HydrophobicContact CG-CG1 4.31Å; M330-I370 HydrophobicContact SD-CG1 4.06Å; Y331-I370 PolarHBondContact O-N 3.39Å; I370-T372 VanDerWaalsContact C-N 3.26Å; I370-T372 PolarHBondContact O-N 3.41Å; I370-T373 PolarHBondContact O-N 2.96Å; I370-L374 PolarHBondContact O-N 3.4Å; I370-Y375 PolarHBondContact O-N 3.28Å; I370-I380 HydrophobicContact CD1-CD1 3.46Å; I370-I380 VanDerWaalsContact CD1-CD1 3.46Å; I370-I380 HydrophobicContact CG2-CD1 4.2Å; I370-V382 HydrophobicContact CD1-CG2 3.26Å
371	S	92.7	Very high	94.9	Very high	4 Å²	4	34.8 Å²	34.8	3%	0.028	18%	0.181	C	C	.	.	H	α-helix	trans	-61.2	-33.7	-178.4	61.2	0	0	0	0	113.4	Y333 S336 S369	Y333-S371 WeakPolarHBondContact O-CB 3.28Å; Y333-S371 PolarHBondContact O-N 3.4Å; Y333-S371 PolarHBondContact O-OG 3.08Å; Y333-S371 VanDerWaalsContact O-OG 3.09Å; S336-S371 WeakPolarHBondContact O-CB 3.48Å; S336-S371 PolarHBondContact O-OG 2.87Å; S369-S371 VanDerWaalsContact C-N 3.33Å; S369-S371 PolarHBondContact O-N 2.92Å; S369-S371 PolarHBondContact OG-OG 3.48Å
372	T	89.8	Confident	94.9	Very high	67 Å²	67	31.3 Å²	31.3	41%	0.411	17%	0.165	S	C	.	.	H	α-helix	trans	-92.5	-24.8	-179.2	62.7	0	0	0	0	113.2	R75 L337 S369 I370	R75-T372 PolarHBondContact NH1-O 3.11Å; R75-T372 PolarHBondContact NH2-O 3.46Å; L337-T372 HydrophobicContact CD2-CG2 4.19Å; S369-T372 PolarHBondContact O-N 3.16Å; S369-T372 PolarHBondContact O-OG1 2.73Å; S369-T372 WeakPolarHBondContact OG-CB 3.5Å; S369-T372 WeakPolarHBondContact OG-CG2 3.29Å; S369-T372 PolarHBondContact OG-N 3.19Å; S369-T372 PolarHBondContact OG-OG1 3.06Å; I370-T372 VanDerWaalsContact C-N 3.26Å; I370-T372 PolarHBondContact O-N 3.41Å
373	T	87.5	Confident	94.9	Very high	16 Å²	16	29.5 Å²	29.5	10%	0.098	15%	0.147	C	C	.	.	H	α-helix	trans	-91.1	-42.7	-177.7	-50.2	0	0	0	0	111.5	R75 M328 M330 F366 G368 S369 I370	R75-T373 PolarHBondContact NH2-O 2.77Å; M328-T373 HydrophobicContact CE-CG2 4.49Å; M328-T373 HydrophobicContact CG-CG2 4.38Å; M328-T373 HydrophobicContact SD-CG2 3.95Å; M330-T373 HydrophobicContact CG-CG2 4.12Å; M330-T373 HydrophobicContact SD-CG2 4.41Å; F366-T373 HydrophobicContact CB-CG2 4.12Å; G368-T373 VanDerWaalsContact C-OG1 3.28Å; G368-T373 VanDerWaalsContact CA-OG1 3.25Å; G368-T373 WeakPolarHBondContact CA-OG1 3.47Å; G368-T373 PolarHBondContact N-OG1 3.13Å; S369-T373 VanDerWaalsContact O-CB 3.28Å; S369-T373 WeakPolarHBondContact O-CB 3.49Å; S369-T373 PolarHBondContact O-N 2.96Å; S369-T373 PolarHBondContact O-OG1 3.16Å; I370-T373 PolarHBondContact O-N 2.96Å
374	L	86.2	Confident	94.9	Very high	14 Å²	14	28.5 Å²	28.5	7%	0.073	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112	-82.2	-174.1	-176.6	61.5	0	0	0	111.1	A74 L78 M328 M330 I370	A74-L374 WeakPolarHBondContact CB-O 3.42Å; L78-L374 WeakPolarHBondContact CD1-O 3.31Å; M328-L374 HydrophobicContact CE-CD1 4.47Å; M328-L374 HydrophobicContact SD-CB 4.23Å; M328-L374 HydrophobicContact SD-CD1 4.04Å; M330-L374 HydrophobicContact CE-CD2 4.12Å; M330-L374 HydrophobicContact SD-CB 3.63Å; M330-L374 HydrophobicContact SD-CD2 4.17Å; M330-L374 HydrophobicContact SD-CG 4.49Å; I370-L374 PolarHBondContact O-N 3.4Å
375	Y	86.8	Confident	95	Very high	57 Å²	57	21.9 Å²	21.9	22%	0.224	11%	0.11	C	C	.	.			trans	-166.7	165.4	172.4	55.3	-92.7	0	0	0	110.7	A74 R272 I370 A377	A74-Y375 HydrophobicContact CB-CD1 4.35Å; A74-Y375 HydrophobicContact CB-CG 4.36Å; R272-Y375 PolarHBondContact NH2-OH 2.94Å; I370-Y375 PolarHBondContact O-N 3.28Å; Y375-A377 HydrophobicContact CD2-CB 4.07Å; Y375-A377 HydrophobicContact CE2-CB 3.73Å; Y375-A377 PolarHBondContact O-N 2.96Å
376	V	91.4	Very high	95	Very high	46 Å²	46	22.8 Å²	22.8	28%	0.279	11%	0.114	S	C	.	.			trans	-64.4	117.2	173.1	175.2	0	0	0	0	109.2	N281 G282 G334 L337	N281-V376 HydrophobicContact CB-CG1 3.76Å; G282-V376 WeakPolarHBondContact CA-O 3.22Å; G334-V376 CarbonylContact O-C 3.45Å; G334-V376 VanDerWaalsContact O-CA 3.29Å; G334-V376 WeakPolarHBondContact O-CA 3.36Å; L337-V376 HydrophobicContact CD2-CG2 4.45Å
377	A	92.6	Very high	95	Very high	4 Å²	4	19.5 Å²	19.5	3%	0.033	10%	0.103	C	C	.	.			trans	-135.6	128.6	-178.6	0	0	0	0	0	109.9	G334 R335 Y375 I380	G334-A377 CarbonylContact C-O 3.46Å; G334-A377 PolarHBondContact O-N 3.27Å; R335-A377 WeakPolarHBondContact CA-O 3.38Å; R335-A377 PolarHBondContact N-O 3.34Å; Y375-A377 HydrophobicContact CD2-CB 4.07Å; Y375-A377 HydrophobicContact CE2-CB 3.73Å; Y375-A377 PolarHBondContact O-N 2.96Å; A377-I380 HydrophobicContact CB-CG2 3.96Å
378	S	95.3	Very high	95	Very high	2 Å²	2	20 Å²	20	1%	0.014	11%	0.113	C	C	.	.			trans	-108.5	153	-175.8	75	0	0	0	0	112.9	R272 G277 G280 N281 S283	R272-S378 WeakPolarHBondContact CD-O 3.49Å; G277-S378 WeakPolarHBondContact O-CB 3.45Å; G277-S378 PolarHBondContact O-OG 3.36Å; G280-S378 WeakPolarHBondContact CA-OG 3.48Å; G280-S378 PolarHBondContact N-OG 2.94Å; G280-S378 VanDerWaalsContact N-OG 3.09Å; G280-S378 PolarHBondContact O-OG 3.44Å; N281-S378 WeakPolarHBondContact O-CB 3.48Å; N281-S378 PolarHBondContact O-N 2.74Å; N281-S378 VanDerWaalsContact O-N 3.07Å; N281-S378 PolarHBondContact O-OG 2.85Å; S283-S378 PolarHBondContact OG-OG 2.85Å
379	G	97.7	Very high	95	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	14%	0.142	C	C	.	.	S	Bend	trans	72.1	34.7	177.5	0	0	0	0	0	112.8	N271 R272 N273 W274 S276	N271-G379 CarbonylContact C-O 3.56Å; R272-G379 CarbonylContact C-O 3.47Å; R272-G379 WeakPolarHBondContact CA-O 3.43Å; R272-G379 PolarHBondContact N-O 2.65Å; N273-G379 PolarHBondContact N-O 3.5Å; W274-G379 WeakPolarHBondContact CB-O 3.24Å; W274-G379 PolarHBondContact N-O 2.95Å; W274-G379 VanDerWaalsContact O-CA 3.27Å; W274-G379 WeakPolarHBondContact O-CA 3.49Å; S276-G379 WeakPolarHBondContact O-CA 3.42Å; S276-G379 PolarHBondContact O-N 2.91Å
380	I	98.2	Very high	95	Very high	5 Å²	5	22.7 Å²	22.7	3%	0.026	14%	0.14	C	C	.	.			trans	-100.9	155.5	-174.3	63.3	167.4	0	0	0	112.2	N271 I370 A377 V382 D383 W384	N271-I380 WeakPolarHBondContact O-CG2 3.31Å; N271-I380 WeakPolarHBondContact OD1-CA 3.4Å; N271-I380 VanDerWaalsContact OD1-CB 3.29Å; N271-I380 WeakPolarHBondContact OD1-CB 3.31Å; I370-I380 HydrophobicContact CD1-CD1 3.46Å; I370-I380 VanDerWaalsContact CD1-CD1 3.46Å; I370-I380 HydrophobicContact CG2-CD1 4.2Å; A377-I380 HydrophobicContact CB-CG2 3.96Å; I380-V382 HydrophobicContact CD1-CG2 3.96Å; I380-V382 HydrophobicContact CG1-CG2 4.48Å; I380-V382 PolarHBondContact O-N 3.07Å; I380-D383 HydrophobicContact CD1-CB 4.37Å; I380-D383 HydrophobicContact CG1-CB 3.71Å; I380-D383 VanDerWaalsContact CG1-CG 3.48Å; I380-D383 PolarHBondContact O-N 3.36Å; I380-W384 PolarHBondContact O-N 2.89Å
381	T	98.5	Very high	95.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-52.8	-52.5	-174.6	-50.6	0	0	0	0	112.7	N271 W274 L319 W384 A385	N271-T381 PolarHBondContact OD1-N 3.31Å; N271-T381 PolarHBondContact OD1-OG1 3.27Å; W274-T381 HydrophobicContact CH2-CG2 3.84Å; W274-T381 HydrophobicContact CZ2-CG2 3.61Å; W274-T381 WeakPolarHBondContact CZ2-OG1 3.44Å; W274-T381 HydrophobicContact CZ3-CG2 4.4Å; W274-T381 PolarHBondContact NE1-OG1 3.03Å; W274-T381 VanDerWaalsContact NE1-OG1 3.14Å; L319-T381 HydrophobicContact CD1-CG2 4.42Å; L319-T381 HydrophobicContact CD2-CG2 3.75Å; T381-W384 PolarHBondContact O-N 3.49Å; T381-A385 PolarHBondContact O-N 2.81Å
382	V	98	Very high	95.4	Very high	4 Å²	4	24.1 Å²	24.1	2%	0.024	15%	0.146	C	C	.	.	H	α-helix	trans	-74.6	-29.8	-170.9	-61.6	0	0	0	0	113.3	L319 P332 I370 I380 A385 Y386 A393 F394	L319-V382 HydrophobicContact CD2-CG1 4.01Å; P332-V382 HydrophobicContact CG-CB 4.12Å; P332-V382 HydrophobicContact CG-CG2 4.13Å; P332-V382 WeakPolarHBondContact CG-O 3.49Å; I370-V382 HydrophobicContact CD1-CG2 3.26Å; I380-V382 HydrophobicContact CD1-CG2 3.96Å; I380-V382 HydrophobicContact CG1-CG2 4.48Å; I380-V382 PolarHBondContact O-N 3.07Å; V382-A385 PolarHBondContact O-N 3.15Å; V382-Y386 WeakPolarHBondContact O-CB 3.47Å; V382-Y386 PolarHBondContact O-N 3.32Å; V382-A393 HydrophobicContact CB-CB 4.1Å; V382-F394 VanDerWaalsContact CG1-O 3.29Å; V382-F394 WeakPolarHBondContact CG1-O 3.45Å
383	D	98.5	Very high	95.8	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-66.9	-41.3	173.2	-76.8	6.1	0	0	0	110.2	P332 Y333 G334 R335 I380 D387	P332-D383 WeakPolarHBondContact CB-OD1 3.44Å; Y333-D383 WeakPolarHBondContact CA-OD1 3.38Å; Y333-D383 HydrophobicContact CD1-CB 4.18Å; G334-D383 WeakPolarHBondContact CA-OD2 3.3Å; G334-D383 VanDerWaalsContact N-CG 3.32Å; G334-D383 PolarHBondContact N-OD1 2.92Å; G334-D383 PolarHBondContact N-OD2 3.11Å; R335-D383 WeakPolarHBondContact CB-OD2 3.24Å; R335-D383 WeakPolarHBondContact CG-OD2 3.39Å; R335-D383 PolarHBondContact N-OD2 3.13Å; I380-D383 HydrophobicContact CD1-CB 4.37Å; I380-D383 HydrophobicContact CG1-CB 3.71Å; I380-D383 VanDerWaalsContact CG1-CG 3.48Å; I380-D383 PolarHBondContact O-N 3.36Å; D383-D387 WeakPolarHBondContact O-CB 3.32Å; D383-D387 PolarHBondContact O-N 3.25Å
384	W	98.6	Very high	96.3	Very high	14 Å²	14	20.2 Å²	20.2	5%	0.053	12%	0.121	C	C	.	.	H	α-helix	trans	-65.1	-42.9	173.6	168.8	82.5	0	0	0	112.5	W274 V307 I310 L319 I380 T381 Y386 D387 S388	W274-W384 HydrophobicContact CB-CB 3.89Å; W274-W384 HydrophobicContact CB-CG 4.46Å; W274-W384 HydrophobicContact CD2-CB 4.43Å; W274-W384 HydrophobicContact CE3-CB 3.93Å; W274-W384 AromaticContact CE3-CD2 3.5Å; W274-W384 HydrophobicContact CE3-CD2 3.5Å; W274-W384 AromaticContact CE3-CE3 3.48Å; W274-W384 HydrophobicContact CE3-CE3 3.48Å; W274-W384 VanDerWaalsContact CE3-CE3 3.48Å; W274-W384 AromaticContact CE3-CG 3.69Å; W274-W384 HydrophobicContact CE3-CG 3.69Å; W274-W384 HydrophobicContact CE3-CZ3 4.25Å; W274-W384 HydrophobicContact CG-CB 4.46Å; W274-W384 HydrophobicContact CH2-CE3 4.39Å; W274-W384 AromaticContact CZ3-CD2 3.74Å; W274-W384 HydrophobicContact CZ3-CD2 3.74Å; W274-W384 AromaticContact CZ3-CE3 3.29Å; W274-W384 HydrophobicContact CZ3-CE3 3.29Å; W274-W384 HydrophobicContact CZ3-CG 4.41Å; W274-W384 HydrophobicContact CZ3-CH2 4.3Å; W274-W384 AromaticContact CZ3-CZ3 3.61Å; W274-W384 HydrophobicContact CZ3-CZ3 3.61Å; V307-W384 HydrophobicContact CB-CH2 4.48Å; V307-W384 HydrophobicContact CB-CZ2 4.12Å; V307-W384 HydrophobicContact CG1-CZ2 3.88Å; V307-W384 HydrophobicContact CG2-CD2 4.47Å; V307-W384 HydrophobicContact CG2-CH2 4.21Å; V307-W384 HydrophobicContact CG2-CZ2 3.85Å; I310-W384 HydrophobicContact CB-CH2 4Å; I310-W384 HydrophobicContact CD1-CH2 4.17Å; I310-W384 HydrophobicContact CD1-CZ3 3.95Å; I310-W384 HydrophobicContact CG2-CH2 3.79Å; I310-W384 HydrophobicContact CG2-CZ3 4.32Å; L319-W384 HydrophobicContact CD1-CZ3 4.49Å; I380-W384 PolarHBondContact O-N 2.89Å; T381-W384 PolarHBondContact O-N 3.49Å; W384-Y386 VanDerWaalsContact C-N 3.33Å; W384-Y386 PolarHBondContact O-N 3.34Å; W384-D387 PolarHBondContact O-N 3.26Å; W384-S388 PolarHBondContact NE1-OG 2.94Å; W384-S388 VanDerWaalsContact O-CB 3.26Å; W384-S388 WeakPolarHBondContact O-CB 3.49Å; W384-S388 PolarHBondContact O-N 2.96Å; W384-S388 PolarHBondContact O-OG 3.4Å
385	A	98.5	Very high	96.9	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-58.5	-48.2	178.6	0	0	0	0	0	110.8	L319 T381 V382 S388 G389 I390 A393	L319-A385 HydrophobicContact CB-CB 3.93Å; L319-A385 HydrophobicContact CD1-CB 3.82Å; L319-A385 HydrophobicContact CD2-CB 3.96Å; L319-A385 HydrophobicContact CG-CB 4.08Å; T381-A385 PolarHBondContact O-N 2.81Å; V382-A385 PolarHBondContact O-N 3.15Å; A385-S388 CarbonylContact O-C 3.59Å; A385-S388 PolarHBondContact O-N 2.84Å; A385-G389 PolarHBondContact O-N 3.35Å; A385-I390 HydrophobicContact CB-CB 4.28Å; A385-I390 HydrophobicContact CB-CD1 4.18Å; A385-I390 WeakPolarHBondContact O-CB 3.38Å; A385-I390 PolarHBondContact O-N 3.37Å; A385-A393 HydrophobicContact CB-CB 4.07Å
386	Y	98.4	Very high	97.5	Very high	29 Å²	29	17.1 Å²	17.1	11%	0.114	11%	0.109	C	C	.	.	H	α-helix	trans	-65.3	-46.4	178.7	-174.6	-89.1	0	0	0	112.6	P332 Y333 V340 S341 N342 L346 V382 W384 S388 G389 I390	P332-Y386 HydrophobicContact CB-CG 4.26Å; P332-Y386 HydrophobicContact CG-CG 4.19Å; Y333-Y386 AromaticContact CE1-CD1 3.97Å; Y333-Y386 HydrophobicContact CE1-CD1 3.97Å; Y333-Y386 HydrophobicContact CE2-CD1 4.45Å; Y333-Y386 HydrophobicContact CE2-CE1 4.31Å; Y333-Y386 AromaticContact CZ-CD1 3.66Å; Y333-Y386 AromaticContact CZ-CE1 3.86Å; Y333-Y386 WeakPolarHBondContact OH-CD1 3.38Å; Y333-Y386 WeakPolarHBondContact OH-CE1 3.32Å; V340-Y386 HydrophobicContact CB-CE1 3.93Å; V340-Y386 HydrophobicContact CB-CE2 4.23Å; V340-Y386 HydrophobicContact CG1-CD1 3.91Å; V340-Y386 HydrophobicContact CG1-CD2 4.49Å; V340-Y386 HydrophobicContact CG1-CE1 3.54Å; V340-Y386 HydrophobicContact CG1-CE2 4.15Å; V340-Y386 HydrophobicContact CG1-CG 4.38Å; S341-Y386 PolarHBondContact N-OH 3.03Å; S341-Y386 PolarHBondContact OG-OH 3.48Å; N342-Y386 WeakPolarHBondContact OD1-CE2 3.19Å; N342-Y386 PolarHBondContact OD1-OH 3.03Å; L346-Y386 HydrophobicContact CD1-CE2 4.15Å; V382-Y386 WeakPolarHBondContact O-CB 3.47Å; V382-Y386 PolarHBondContact O-N 3.32Å; W384-Y386 VanDerWaalsContact C-N 3.33Å; W384-Y386 PolarHBondContact O-N 3.34Å; Y386-S388 PolarHBondContact O-N 2.97Å; Y386-G389 PolarHBondContact O-N 2.81Å; Y386-I390 WeakPolarHBondContact CA-O 3.43Å
387	D	97.9	Very high	97.9	Very high	70 Å²	70	16.1 Å²	16.1	37%	0.374	10%	0.102	S	C	.	.	H	α-helix	trans	-64	-20.1	175.7	-75.7	-18.3	0	0	0	112.8	S276 Y333 R335 D383 W384 G389	S276-D387 WeakPolarHBondContact CB-OD2 3.35Å; S276-D387 PolarHBondContact OG-OD2 2.98Å; Y333-D387 WeakPolarHBondContact CE1-OD1 3.47Å; Y333-D387 VanDerWaalsContact CZ-OD1 3.28Å; Y333-D387 PolarHBondContact OH-OD1 2.83Å; R335-D387 IonicContact CZ-OD2 2.87Å; R335-D387 IonicContact NE-OD2 3.81Å; R335-D387 PolarHBondContact NE-OD2 3.28Å; R335-D387 IonicContact NH2-OD1 2.73Å; R335-D387 PolarHBondContact NH2-OD1 2.67Å; R335-D387 IonicContact NH2-OD2 3.4Å; R335-D387 PolarHBondContact NH2-OD2 3.43Å; D383-D387 WeakPolarHBondContact O-CB 3.32Å; D383-D387 PolarHBondContact O-N 3.25Å; W384-D387 PolarHBondContact O-N 3.26Å; D387-G389 VanDerWaalsContact C-N 3.34Å
388	S	97.5	Very high	98.2	Very high	67 Å²	67	15.9 Å²	15.9	47%	0.469	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	3.8	174.8	-54.8	0	0	0	0	113.6	W384 A385 Y386	W384-S388 PolarHBondContact NE1-OG 2.94Å; W384-S388 VanDerWaalsContact O-CB 3.26Å; W384-S388 WeakPolarHBondContact O-CB 3.49Å; W384-S388 PolarHBondContact O-N 2.96Å; W384-S388 PolarHBondContact O-OG 3.4Å; A385-S388 CarbonylContact O-C 3.59Å; A385-S388 PolarHBondContact O-N 2.84Å; Y386-S388 PolarHBondContact O-N 2.97Å
389	G	97.4	Very high	98.3	Very high	63 Å²	63	16.9 Å²	16.9	65%	0.649	10%	0.103	S	C	*	.	T	Hydrogen-bonded Turn	trans	96.5	4.8	176	0	0	0	0	0	115.4	A385 Y386 D387 K391	A385-G389 PolarHBondContact O-N 3.35Å; Y386-G389 PolarHBondContact O-N 2.81Å; D387-G389 VanDerWaalsContact C-N 3.34Å; G389-K391 PolarHBondContact O-N 3.18Å
390	I	98.3	Very high	98.4	Very high	7 Å²	7	17.5 Å²	17.5	4%	0.036	11%	0.107	C	C	.	.			trans	-82.4	98.9	174.6	-55	176.5	0	0	0	108.4	I310 F316 L319 A385 Y386 Y392	I310-I390 HydrophobicContact CG2-CD1 3.76Å; F316-I390 HydrophobicContact CB-CD1 3.73Å; F316-I390 HydrophobicContact CB-CG1 4.08Å; L319-I390 HydrophobicContact CB-CD1 4.35Å; L319-I390 HydrophobicContact CB-CG2 4.03Å; L319-I390 HydrophobicContact CD1-CD1 4.45Å; A385-I390 HydrophobicContact CB-CB 4.28Å; A385-I390 HydrophobicContact CB-CD1 4.18Å; A385-I390 WeakPolarHBondContact O-CB 3.38Å; A385-I390 PolarHBondContact O-N 3.37Å; Y386-I390 WeakPolarHBondContact CA-O 3.43Å; I390-Y392 PolarHBondContact O-N 3.35Å
391	K	96.9	Very high	98.3	Very high	41 Å²	41	20.6 Å²	20.6	18%	0.178	13%	0.126	C	C	.	.	S	Bend	trans	-61.5	-42.4	-170.4	-172.3	176.8	178	-176.8	0	113.6	N342 E345 G389 A393 Y436	N342-K391 WeakPolarHBondContact ND2-CE 3.44Å; N342-K391 VanDerWaalsContact ND2-CG 3.31Å; N342-K391 WeakPolarHBondContact ND2-CG 3.47Å; E345-K391 IonicContact OE1-NZ 3.77Å; E345-K391 PolarHBondContact OE1-NZ 3.48Å; E345-K391 VanDerWaalsContact OE2-CE 3.22Å; E345-K391 WeakPolarHBondContact OE2-CE 3.31Å; E345-K391 IonicContact OE2-NZ 2.84Å; E345-K391 PolarHBondContact OE2-NZ 3.07Å; G389-K391 PolarHBondContact O-N 3.18Å; K391-A393 PolarHBondContact O-N 3.44Å; K391-Y436 HydrophobicContact CD-CD2 4.33Å; K391-Y436 HydrophobicContact CD-CE2 3.62Å; K391-Y436 PolarHBondContact NZ-OH 3.49Å
392	Y	98.7	Very high	98.2	Very high	1 Å²	1	20.6 Å²	20.6	0%	0.004	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	74.3	-177.1	-50.2	-62.5	0	0	0	110.6	K317 A318 L319 E345 L346 L349 I390 H430 T431 H434 Y436	K317-Y392 WeakPolarHBondContact O-CD2 3.47Å; K317-Y392 PolarHBondContact O-N 3.37Å; A318-Y392 CarbonylContact C-O 3.56Å; A318-Y392 WeakPolarHBondContact CA-O 3.28Å; A318-Y392 WeakPolarHBondContact CB-O 3.46Å; L319-Y392 PolarHBondContact N-O 3.43Å; E345-Y392 PolarHBondContact OE1-OH 2.93Å; L346-Y392 HydrophobicContact CD2-CD1 4.1Å; L349-Y392 HydrophobicContact CD2-CD1 4.08Å; I390-Y392 PolarHBondContact O-N 3.35Å; Y392-H430 AromaticContact CE1-CD2 3.51Å; Y392-H430 AromaticContact CE1-NE2 3.62Å; Y392-H430 AromaticContact CZ-CD2 3.7Å; Y392-H430 AromaticContact CZ-NE2 3.91Å; Y392-T431 HydrophobicContact CD2-CG2 3.81Å; Y392-T431 HydrophobicContact CE2-CG2 4.14Å; Y392-H434 WeakPolarHBondContact CE2-O 3.45Å; Y392-H434 WeakPolarHBondContact OH-CB 2.97Å; Y392-H434 PolarHBondContact OH-O 3.28Å; Y392-Y436 PolarHBondContact OH-OH 3.08Å
393	A	98.6	Very high	98.2	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	119.5	175.9	0	0	0	0	0	110.2	L319 P332 V382 A385 K391	L319-A393 CarbonylContact O-C 3.5Å; L319-A393 VanDerWaalsContact O-CA 3.29Å; L319-A393 WeakPolarHBondContact O-CA 3.48Å; P332-A393 WeakPolarHBondContact CD-O 3.36Å; P332-A393 HydrophobicContact CG-CB 4.04Å; V382-A393 HydrophobicContact CB-CB 4.1Å; A385-A393 HydrophobicContact CB-CB 4.07Å; K391-A393 PolarHBondContact O-N 3.44Å
394	F	98.9	Very high	98.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	148.3	-178.3	-71.4	-81.7	0	0	0	112.1	L319 I320 S321 L329 M330 Y331 L346 L349 A350 V382 I427	L319-F394 PolarHBondContact O-N 2.98Å; I320-F394 WeakPolarHBondContact CA-O 3.42Å; S321-F394 PolarHBondContact N-O 2.92Å; L329-F394 HydrophobicContact CD1-CB 4.03Å; L329-F394 HydrophobicContact CD1-CD1 3.92Å; L329-F394 HydrophobicContact CD1-CG 4.29Å; L329-F394 HydrophobicContact CG-CD1 4.33Å; M330-F394 CarbonylContact O-C 3.54Å; M330-F394 VanDerWaalsContact O-CA 3.29Å; M330-F394 WeakPolarHBondContact O-CA 3.43Å; Y331-F394 HydrophobicContact CD1-CE1 4.14Å; Y331-F394 HydrophobicContact CG-CE1 4.38Å; L346-F394 HydrophobicContact CB-CZ 4.45Å; L346-F394 HydrophobicContact CD2-CE1 4.43Å; L346-F394 HydrophobicContact CD2-CE2 3.95Å; L346-F394 HydrophobicContact CD2-CZ 3.62Å; L349-F394 HydrophobicContact CB-CZ 4.28Å; L349-F394 HydrophobicContact CD2-CE2 3.73Å; L349-F394 HydrophobicContact CD2-CZ 3.79Å; L349-F394 HydrophobicContact CG-CE2 4.34Å; L349-F394 HydrophobicContact CG-CZ 4.01Å; A350-F394 HydrophobicContact CB-CE1 4.04Å; V382-F394 VanDerWaalsContact CG1-O 3.29Å; V382-F394 WeakPolarHBondContact CG1-O 3.45Å; F394-I427 HydrophobicContact CB-CD1 4.4Å; F394-I427 HydrophobicContact CD2-CD1 4.06Å; F394-I427 HydrophobicContact CD2-CG1 4.42Å; F394-I427 HydrophobicContact CD2-CG2 3.94Å; F394-I427 HydrophobicContact CE2-CG1 4.45Å; F394-I427 HydrophobicContact CE2-CG2 4.07Å; F394-I427 HydrophobicContact CG-CD1 4.12Å
395	S	98.8	Very high	98.1	Very high	6 Å²	6	30.6 Å²	30.6	4%	0.042	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	126.7	172.9	-175	0	0	0	0	109.9	S321 H323 M330	S321-S395 VanDerWaalsContact O-CA 3.23Å; S321-S395 WeakPolarHBondContact O-CA 3.25Å; S321-S395 PolarHBondContact O-OG 3.1Å; H323-S395 PolarHBondContact CD2-OG 3.05Å; M330-S395 PolarHBondContact N-O 2.58Å; M330-S395 PolarHBondContact O-N 3.39Å
396	F	98.9	Very high	98.2	Very high	1 Å²	1	31 Å²	31	0%	0.004	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	139.7	171.8	-81.9	-96.1	0	0	0	110	I320 S321 I322 H323 M328 L329 L357 Y365 L398 T420 A423 L424 I427	I320-F396 HydrophobicContact CG2-CD2 3.66Å; I320-F396 HydrophobicContact CG2-CE2 3.75Å; S321-F396 PolarHBondContact O-N 3.38Å; I322-F396 HydrophobicContact CB-CB 4.47Å; I322-F396 HydrophobicContact CG1-CB 4.42Å; I322-F396 HydrophobicContact CG1-CD2 4.45Å; I322-F396 HydrophobicContact CG2-CB 4.11Å; H323-F396 CarbonylContact C-O 3.56Å; H323-F396 VanDerWaalsContact CA-O 3.28Å; H323-F396 WeakPolarHBondContact CA-O 3.19Å; H323-F396 WeakPolarHBondContact CB-O 3.49Å; H323-F396 PolarHBondContact N-O 3.07Å; M328-F396 CarbonylContact O-C 3.52Å; M328-F396 WeakPolarHBondContact O-CA 3.34Å; L329-F396 HydrophobicContact CB-CE1 4.38Å; L329-F396 HydrophobicContact CD1-CD1 4.13Å; L329-F396 HydrophobicContact CD1-CD2 3.75Å; L329-F396 HydrophobicContact CD1-CE1 3.86Å; L329-F396 HydrophobicContact CD1-CE2 3.46Å; L329-F396 VanDerWaalsContact CD1-CE2 3.46Å; L329-F396 HydrophobicContact CD1-CG 4.08Å; L329-F396 HydrophobicContact CD1-CZ 3.52Å; L329-F396 HydrophobicContact CD2-CE1 4.31Å; L329-F396 HydrophobicContact CD2-CZ 4.05Å; L329-F396 HydrophobicContact CG-CE1 4.41Å; L329-F396 HydrophobicContact CG-CZ 4.3Å; L357-F396 HydrophobicContact CD1-CE1 4.44Å; Y365-F396 HydrophobicContact CE1-CD1 4.37Å; F396-L398 HydrophobicContact CB-CD2 4.06Å; F396-L398 HydrophobicContact CD1-CD2 4.19Å; F396-L398 HydrophobicContact CG-CD2 4.45Å; F396-T420 HydrophobicContact CD1-CG2 4.4Å; F396-T420 HydrophobicContact CE1-CG2 4.38Å; F396-A423 HydrophobicContact CE1-CB 3.77Å; F396-A423 HydrophobicContact CZ-CB 3.6Å; F396-L424 HydrophobicContact CE2-CD2 3.96Å; F396-L424 HydrophobicContact CZ-CD2 4.47Å; F396-I427 HydrophobicContact CE2-CD1 3.96Å; F396-I427 HydrophobicContact CZ-CD1 4.1Å
397	E	98.8	Very high	98.2	Very high	24 Å²	24	29.9 Å²	29.9	11%	0.112	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	106.9	157.6	-68.8	-74.1	-175.9	0	0	106.8	H323 S324 Y325 Q327 M328 M330 Y365	H323-E397 VanDerWaalsContact CB-OE2 3.29Å; H323-E397 WeakPolarHBondContact CB-OE2 3.44Å; S324-E397 VanDerWaalsContact CA-OE2 3.3Å; S324-E397 WeakPolarHBondContact CA-OE2 3.41Å; S324-E397 PolarHBondContact N-OE2 2.88Å; Y325-E397 PolarHBondContact N-OE2 3.29Å; Q327-E397 CarbonylContact C-O 3.54Å; Q327-E397 WeakPolarHBondContact CA-O 3.33Å; Q327-E397 PolarHBondContact N-O 3.07Å; M328-E397 HydrophobicContact CB-CB 4Å; M328-E397 HydrophobicContact CB-CG 4.36Å; M328-E397 HydrophobicContact CG-CB 4.43Å; M328-E397 PolarHBondContact N-O 2.73Å; M328-E397 PolarHBondContact O-N 3.16Å; M330-E397 HydrophobicContact CE-CG 3.55Å; Y365-E397 WeakPolarHBondContact CE1-O 3.49Å
398	L	98.9	Very high	98.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	-171.5	-174.4	-61.9	-173.9	0	0	0	112.8	I201 T202 T205 I322 H323 Y325 S326 Q327 Y365 F396 T416 T420	I201-L398 HydrophobicContact CG1-CD1 4.41Å; I201-L398 HydrophobicContact CG2-CB 4.35Å; I201-L398 HydrophobicContact CG2-CD1 4.47Å; T202-L398 HydrophobicContact CG2-CD1 4.33Å; T205-L398 HydrophobicContact CG2-CD1 4.21Å; I322-L398 HydrophobicContact CG2-CD1 3.6Å; I322-L398 HydrophobicContact CG2-CD2 4.1Å; I322-L398 HydrophobicContact CG2-CG 3.73Å; H323-L398 WeakPolarHBondContact O-CB 3.48Å; H323-L398 VanDerWaalsContact O-CG 3.31Å; H323-L398 WeakPolarHBondContact O-CG 3.42Å; H323-L398 PolarHBondContact O-N 3.33Å; Y325-L398 WeakPolarHBondContact CA-O 3.49Å; S326-L398 PolarHBondContact N-O 3.5Å; Q327-L398 PolarHBondContact N-O 3.09Å; Q327-L398 VanDerWaalsContact N-O 3.11Å; Y365-L398 WeakPolarHBondContact OH-CA 3.06Å; F396-L398 HydrophobicContact CB-CD2 4.06Å; F396-L398 HydrophobicContact CD1-CD2 4.19Å; F396-L398 HydrophobicContact CG-CD2 4.45Å; L398-T416 HydrophobicContact CB-CG2 4.07Å; L398-T416 HydrophobicContact CD1-CG2 4.01Å; L398-T416 HydrophobicContact CG-CG2 4.43Å; L398-T420 HydrophobicContact CD2-CG2 3.86Å; L398-T420 WeakPolarHBondContact CD2-OG1 3.33Å
399	R	98.8	Very high	98.3	Very high	22 Å²	22	25.2 Å²	25.2	8%	0.083	13%	0.133	C	C	.	.	S	Bend	trans	-55.2	152	172.8	-67.9	-165.7	-169.9	-171	2.6	111.7	Q327 Y365 L408 T416 E419	Q327-R399 HydrophobicContact CG-CG 4.48Å; Y365-R399 PolarHBondContact OH-N 3.11Å; R399-L408 HydrophobicContact CB-CD1 4.42Å; R399-L408 HydrophobicContact CB-CD2 3.86Å; R399-T416 HydrophobicContact CB-CG2 4.34Å; R399-T416 WeakPolarHBondContact CD-OG1 3.45Å; R399-T416 HydrophobicContact CG-CG2 4.23Å; R399-E419 IonicContact CZ-OE1 3.57Å; R399-E419 IonicContact CZ-OE2 3.91Å; R399-E419 IonicContact NE-OE1 3.9Å; R399-E419 PolarHBondContact NE-OE1 2.73Å; R399-E419 IonicContact NE-OE2 3.54Å; R399-E419 VanDerWaalsContact NH2-CD 3.3Å; R399-E419 IonicContact NH2-OE1 3.67Å; R399-E419 PolarHBondContact NH2-OE1 3.41Å; R399-E419 IonicContact NH2-OE2 3.08Å; R399-E419 PolarHBondContact NH2-OE2 3.27Å
400	D	98.5	Very high	98.3	Very high	13 Å²	13	23 Å²	23	7%	0.07	11%	0.109	C	C	.	.			cis	-107.1	-154.1	-5.5	65.6	8.2	0	0	0	111.5	Y325 S326 G402 R403 Y404 G405 L408	Y325-D400 WeakPolarHBondContact CB-O 3.49Å; Y325-D400 WeakPolarHBondContact CD2-O 3.43Å; S326-D400 WeakPolarHBondContact CA-O 3.45Å; S326-D400 PolarHBondContact N-O 3.39Å; S326-D400 VanDerWaalsContact N-O 3.12Å; D400-G402 WeakPolarHBondContact OD1-CA 3.38Å; D400-G402 PolarHBondContact OD1-N 3.36Å; D400-R403 PolarHBondContact OD1-N 3.3Å; D400-R403 WeakPolarHBondContact OD2-CB 3.4Å; D400-R403 PolarHBondContact OD2-N 3.03Å; D400-Y404 WeakPolarHBondContact OD2-CB 3.4Å; D400-Y404 VanDerWaalsContact OD2-CD2 3.29Å; D400-Y404 WeakPolarHBondContact OD2-CD2 3.31Å; D400-Y404 PolarHBondContact OD2-N 3.09Å; D400-G405 PolarHBondContact OD1-N 3.37Å; D400-L408 HydrophobicContact CB-CD1 3.92Å
401	T	97.3	Very high	98.3	Very high	70 Å²	70	28.2 Å²	28.2	43%	0.429	14%	0.141	S	C	.	.	S	Bend	trans	-102.7	20	174.6	57.7	0	0	0	0	112.6	R44 Q327	R44-T401 VanDerWaalsContact CZ-O 3.31Å; R44-T401 PolarHBondContact NH1-O 2.86Å; R44-T401 PolarHBondContact NH2-O 2.93Å; Q327-T401 HydrophobicContact CB-CG2 4.23Å; Q327-T401 HydrophobicContact CG-CG2 4.06Å
402	G	96.5	Very high	98.4	Very high	1 Å²	1	29 Å²	29	1%	0.01	15%	0.146	C	C	.	.	S	Bend	trans	118.8	-8	171.8	0	0	0	0	0	115.6	M106 D400 Y404	M106-G402 WeakPolarHBondContact CE-O 3.26Å; M106-G402 WeakPolarHBondContact CG-O 3.43Å; M106-G402 VanDerWaalsContact SD-C 3.56Å; D400-G402 WeakPolarHBondContact OD1-CA 3.38Å; D400-G402 PolarHBondContact OD1-N 3.36Å; G402-Y404 PolarHBondContact O-N 3.48Å
403	R	96.9	Very high	98.4	Very high	179 Å²	179	29 Å²	29	68%	0.675	15%	0.146	S	C	*	.	S	Bend	trans	-57.3	-40.7	179.6	175.6	177.5	174.8	161.3	0.3	111.6	D400	D400-R403 PolarHBondContact OD1-N 3.3Å; D400-R403 WeakPolarHBondContact OD2-CB 3.4Å; D400-R403 PolarHBondContact OD2-N 3.03Å
404	Y	98.3	Very high	98.4	Very high	49 Å²	49	31.7 Å²	31.7	19%	0.192	16%	0.159	C	C	.	.	S	Bend	trans	-116.4	-26.3	175	-59.4	-77.2	0	0	0	111.8	L113 D400 G402 F406 L407 L408 P409	L113-Y404 HydrophobicContact CD1-CD1 4.21Å; L113-Y404 HydrophobicContact CD2-CD1 4.07Å; L113-Y404 HydrophobicContact CD2-CE1 4.12Å; D400-Y404 WeakPolarHBondContact OD2-CB 3.4Å; D400-Y404 VanDerWaalsContact OD2-CD2 3.29Å; D400-Y404 WeakPolarHBondContact OD2-CD2 3.31Å; D400-Y404 PolarHBondContact OD2-N 3.09Å; G402-Y404 PolarHBondContact O-N 3.48Å; Y404-F406 PolarHBondContact O-N 2.74Å; Y404-L407 PolarHBondContact O-N 3.4Å; Y404-L408 HydrophobicContact CD2-CD1 4.14Å; Y404-P409 HydrophobicContact CD1-CG 3.85Å; Y404-P409 HydrophobicContact CD2-CG 4.2Å; Y404-P409 HydrophobicContact CE1-CG 3.64Å; Y404-P409 HydrophobicContact CE2-CG 4.01Å; Y404-P409 VanDerWaalsContact CG-CD 3.5Å; Y404-P409 HydrophobicContact CG-CG 4.13Å
405	G	98.3	Very high	98.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	57	-121.3	-175.7	0	0	0	0	0	110.7	Y325 D400 L407	Y325-G405 VanDerWaalsContact CD1-CA 3.44Å; D400-G405 PolarHBondContact OD1-N 3.37Å; G405-L407 PolarHBondContact O-N 3.38Å
406	F	98.7	Very high	98.4	Very high	7 Å²	7	32.8 Å²	32.8	3%	0.031	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-8.8	-179.8	-52	-56.7	0	0	0	114.7	W70 R198 E199 R251 S324 Y325 Y404	W70-F406 HydrophobicContact CB-CE2 3.65Å; W70-F406 HydrophobicContact CB-CZ 4.15Å; W70-F406 AromaticContact CD1-CE2 3.66Å; W70-F406 AromaticContact CD2-CD2 3.56Å; W70-F406 HydrophobicContact CD2-CD2 3.56Å; W70-F406 AromaticContact CD2-CE2 3.53Å; W70-F406 HydrophobicContact CD2-CE2 3.53Å; W70-F406 AromaticContact CE2-CD2 3.69Å; W70-F406 AromaticContact CE2-CE2 3.95Å; W70-F406 AromaticContact CE3-CD2 3.85Å; W70-F406 HydrophobicContact CE3-CD2 3.85Å; W70-F406 HydrophobicContact CE3-CE2 4.07Å; W70-F406 AromaticContact CG-CD2 3.92Å; W70-F406 HydrophobicContact CG-CD2 3.92Å; W70-F406 AromaticContact CG-CE2 3.35Å; W70-F406 HydrophobicContact CG-CE2 3.35Å; W70-F406 HydrophobicContact CG-CZ 4.31Å; W70-F406 HydrophobicContact CH2-CD2 4.35Å; W70-F406 HydrophobicContact CZ2-CD2 4.1Å; W70-F406 HydrophobicContact CZ3-CD2 4.24Å; W70-F406 AromaticContact NE1-CE2 3.98Å; R198-F406 HydrophobicContact CG-CD1 4.19Å; R198-F406 HydrophobicContact CG-CD2 4.22Å; R198-F406 HydrophobicContact CG-CE1 4.44Å; R198-F406 HydrophobicContact CG-CE2 4.46Å; R198-F406 HydrophobicContact CG-CG 4.08Å; R198-F406 VanDerWaalsContact CZ-CE2 3.41Å; E199-F406 HydrophobicContact CG-CD1 3.97Å; E199-F406 HydrophobicContact CG-CE1 4Å; R251-F406 PolarHBondContact NH2-O 3.04Å; S324-F406 VanDerWaalsContact O-CE1 3.26Å; S324-F406 WeakPolarHBondContact O-CE1 3.23Å; Y325-F406 AromaticContact CD1-CD1 3.73Å; Y325-F406 HydrophobicContact CD1-CD1 3.73Å; Y325-F406 AromaticContact CD1-CE1 3.53Å; Y325-F406 HydrophobicContact CD1-CE1 3.53Å; Y325-F406 HydrophobicContact CD1-CG 4.3Å; Y325-F406 AromaticContact CD1-CZ 3.95Å; Y325-F406 HydrophobicContact CD1-CZ 3.95Å; Y325-F406 HydrophobicContact CE1-CD1 4.17Å; Y325-F406 HydrophobicContact CE1-CD2 4.38Å; Y325-F406 AromaticContact CE1-CE1 3.78Å; Y325-F406 HydrophobicContact CE1-CE1 3.78Å; Y325-F406 HydrophobicContact CE1-CE2 4.02Å; Y325-F406 HydrophobicContact CE1-CG 4.45Å; Y325-F406 AromaticContact CE1-CZ 3.68Å; Y325-F406 HydrophobicContact CE1-CZ 3.68Å; Y404-F406 PolarHBondContact O-N 2.74Å
407	L	98.6	Very high	98.4	Very high	7 Å²	7	32.8 Å²	32.8	4%	0.037	17%	0.166	C	C	.	.			trans	-105.6	39.2	-176.4	-54.6	-177.9	0	0	0	111.5	W70 I110 L113 L114 R251 L252 Y404 G405	W70-L407 HydrophobicContact CH2-CD1 4.41Å; W70-L407 HydrophobicContact CH2-CG 4.37Å; I110-L407 HydrophobicContact CG2-CD1 3.88Å; L113-L407 HydrophobicContact CB-CB 4.2Å; L113-L407 HydrophobicContact CB-CD1 3.84Å; L113-L407 HydrophobicContact CD1-CB 4.28Å; L113-L407 HydrophobicContact CD1-CD1 4.22Å; L114-L407 HydrophobicContact CD2-CD1 3.92Å; L114-L407 HydrophobicContact CD2-CD2 3.52Å; L114-L407 HydrophobicContact CD2-CG 4.37Å; L114-L407 HydrophobicContact CG-CD1 4.18Å; R251-L407 HydrophobicContact CG-CD2 4.11Å; L252-L407 HydrophobicContact CD2-CD2 4.27Å; Y404-L407 PolarHBondContact O-N 3.4Å; G405-L407 PolarHBondContact O-N 3.38Å
408	L	98.8	Very high	98.4	Very high	4 Å²	4	35.1 Å²	35.1	2%	0.021	18%	0.177	C	C	.	.			trans	-59.8	129.8	-177	-165.4	71.5	0	0	0	110.2	Y139 I201 R399 D400 Y404 Q412	Y139-L408 WeakPolarHBondContact CE2-O 3.1Å; Y139-L408 PolarHBondContact OH-O 3.44Å; I201-L408 HydrophobicContact CB-CD2 4.26Å; I201-L408 HydrophobicContact CD1-CD2 3.9Å; I201-L408 HydrophobicContact CG1-CD2 3.77Å; R399-L408 HydrophobicContact CB-CD1 4.42Å; R399-L408 HydrophobicContact CB-CD2 3.86Å; D400-L408 HydrophobicContact CB-CD1 3.92Å; Y404-L408 HydrophobicContact CD2-CD1 4.14Å; L408-Q412 HydrophobicContact CD1-CB 4.32Å; L408-Q412 HydrophobicContact CD1-CG 4.31Å; L408-Q412 HydrophobicContact CD2-CB 3.79Å; L408-Q412 HydrophobicContact CG-CB 3.81Å; L408-Q412 HydrophobicContact CG-CG 4.26Å
409	P	98.7	Very high	98.4	Very high	34 Å²	34	35.1 Å²	35.1	22%	0.221	18%	0.177	C	C	.	.			trans	-60.6	142.3	-178.5	-26.5	34.5	0	0	0	112.3	Y404 T411 Q412	Y404-P409 HydrophobicContact CD1-CG 3.85Å; Y404-P409 HydrophobicContact CD2-CG 4.2Å; Y404-P409 HydrophobicContact CE1-CG 3.64Å; Y404-P409 HydrophobicContact CE2-CG 4.01Å; Y404-P409 VanDerWaalsContact CG-CD 3.5Å; Y404-P409 HydrophobicContact CG-CG 4.13Å; P409-T411 PolarHBondContact O-N 2.9Å; P409-Q412 VanDerWaalsContact O-CB 3.31Å; P409-Q412 WeakPolarHBondContact O-CB 3.41Å; P409-Q412 PolarHBondContact O-N 3.08Å
410	A	98.3	Very high	98.4	Very high	18 Å²	18	34.1 Å²	34.1	15%	0.149	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-56.2	-27.4	-178.1	0	0	0	0	0	113.9	Y139 Q412 I413	Y139-A410 HydrophobicContact CE2-CB 4.49Å; A410-Q412 PolarHBondContact O-N 3.25Å; A410-Q412 VanDerWaalsContact O-N 3.12Å; A410-I413 HydrophobicContact CB-CD1 3.97Å; A410-I413 WeakPolarHBondContact O-CB 3.49Å; A410-I413 VanDerWaalsContact O-CG1 3.31Å; A410-I413 WeakPolarHBondContact O-CG1 3.36Å; A410-I413 PolarHBondContact O-N 3.48Å
411	T	98.3	Very high	98.4	Very high	115 Å²	115	33.9 Å²	33.9	71%	0.706	17%	0.172	S	C	*	.	G	3₁₀ helix	trans	-62.7	-16.1	174.2	57.4	0	0	0	0	113.9	P409 P415	P409-T411 PolarHBondContact O-N 2.9Å; T411-P415 WeakPolarHBondContact O-CD 3.33Å
412	Q	98.8	Very high	98.5	Very high	59 Å²	59	33.3 Å²	33.3	28%	0.276	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-92.8	-5.6	176.7	-63.2	-71.9	-7.9	0	0	113	L408 P409 A410 T416	L408-Q412 HydrophobicContact CD1-CB 4.32Å; L408-Q412 HydrophobicContact CD1-CG 4.31Å; L408-Q412 HydrophobicContact CD2-CB 3.79Å; L408-Q412 HydrophobicContact CG-CB 3.81Å; L408-Q412 HydrophobicContact CG-CG 4.26Å; P409-Q412 VanDerWaalsContact O-CB 3.31Å; P409-Q412 WeakPolarHBondContact O-CB 3.41Å; P409-Q412 PolarHBondContact O-N 3.08Å; A410-Q412 PolarHBondContact O-N 3.25Å; A410-Q412 VanDerWaalsContact O-N 3.12Å; Q412-T416 VanDerWaalsContact O-CB 3.27Å; Q412-T416 WeakPolarHBondContact O-CB 3.4Å; Q412-T416 PolarHBondContact O-N 3.49Å; Q412-T416 PolarHBondContact O-OG1 3.21Å
413	I	98.9	Very high	98.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-60	-57.4	-179.2	-67.7	167.7	0	0	0	110.9	Y136 Y139 I201 A204 A410 T416 A417	Y136-I413 VanDerWaalsContact O-CG2 3.31Å; Y136-I413 WeakPolarHBondContact O-CG2 3.16Å; Y139-I413 HydrophobicContact CD1-CD1 3.87Å; Y139-I413 HydrophobicContact CD2-CD1 4.35Å; Y139-I413 HydrophobicContact CE1-CD1 3.68Å; Y139-I413 HydrophobicContact CE1-CG1 3.91Å; Y139-I413 HydrophobicContact CE2-CD1 4.2Å; Y139-I413 HydrophobicContact CG-CD1 4.19Å; I201-I413 HydrophobicContact CD1-CB 4.27Å; I201-I413 HydrophobicContact CD1-CG1 3.9Å; A204-I413 HydrophobicContact CB-CD1 4.1Å; A204-I413 HydrophobicContact CB-CG1 4.17Å; A204-I413 HydrophobicContact CB-CG2 3.69Å; A410-I413 HydrophobicContact CB-CD1 3.97Å; A410-I413 WeakPolarHBondContact O-CB 3.49Å; A410-I413 VanDerWaalsContact O-CG1 3.31Å; A410-I413 WeakPolarHBondContact O-CG1 3.36Å; A410-I413 PolarHBondContact O-N 3.48Å; I413-T416 PolarHBondContact O-N 3Å; I413-A417 WeakPolarHBondContact O-CB 3.38Å; I413-A417 PolarHBondContact O-N 3.02Å
414	I	98.8	Very high	98.7	Very high	56 Å²	56	24.7 Å²	24.7	29%	0.287	13%	0.132	S	C	.	.	H	α-helix	trans	-62.4	-47.9	-177.7	-66.8	177.3	0	0	0	111.6	T416 A417 Q418	I414-T416 VanDerWaalsContact C-N 3.31Å; I414-T416 PolarHBondContact O-N 3.07Å; I414-A417 PolarHBondContact O-N 2.87Å; I414-Q418 HydrophobicContact CG2-CG 4.04Å; I414-Q418 WeakPolarHBondContact O-CB 3.5Å; I414-Q418 VanDerWaalsContact O-CG 3.29Å; I414-Q418 WeakPolarHBondContact O-CG 3.46Å; I414-Q418 PolarHBondContact O-N 3.38Å
415	P	98.8	Very high	98.7	Very high	30 Å²	30	24.6 Å²	24.6	20%	0.195	13%	0.131	C	C	.	.	H	α-helix	trans	-56.1	-42.9	175.8	-28.7	35.1	0	0	0	113.7	H361 T411 E419	H361-P415 VanDerWaalsContact CE1-CA 3.47Å; H361-P415 WeakPolarHBondContact CE1-CA 3.36Å; H361-P415 PolarHBondContact CE1-O 3.14Å; H361-P415 PolarHBondContact ND1-O 3.21Å; T411-P415 WeakPolarHBondContact O-CD 3.33Å; P415-E419 WeakPolarHBondContact O-CG 3.35Å; P415-E419 PolarHBondContact O-N 3.34Å
416	T	98.9	Very high	98.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-65	-42.7	177.8	-54.3	0	0	0	0	111.2	I201 L398 R399 Q412 I413 I414 E419 T420	I201-T416 HydrophobicContact CD1-CG2 4.2Å; I201-T416 HydrophobicContact CG1-CG2 3.87Å; L398-T416 HydrophobicContact CB-CG2 4.07Å; L398-T416 HydrophobicContact CD1-CG2 4.01Å; L398-T416 HydrophobicContact CG-CG2 4.43Å; R399-T416 HydrophobicContact CB-CG2 4.34Å; R399-T416 WeakPolarHBondContact CD-OG1 3.45Å; R399-T416 HydrophobicContact CG-CG2 4.23Å; Q412-T416 VanDerWaalsContact O-CB 3.27Å; Q412-T416 WeakPolarHBondContact O-CB 3.4Å; Q412-T416 PolarHBondContact O-N 3.49Å; Q412-T416 PolarHBondContact O-OG1 3.21Å; I413-T416 PolarHBondContact O-N 3Å; I414-T416 VanDerWaalsContact C-N 3.31Å; I414-T416 PolarHBondContact O-N 3.07Å; T416-E419 WeakPolarHBondContact O-CG 3.38Å; T416-T420 VanDerWaalsContact O-CB 3.24Å; T416-T420 WeakPolarHBondContact O-CB 3.24Å; T416-T420 PolarHBondContact O-N 3.28Å; T416-T420 PolarHBondContact O-OG1 3.4Å
417	A	98.9	Very high	98.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-68.1	-41.2	-179.4	0	0	0	0	0	112.5	T205 W208 I413 I414 T420 W421	T205-A417 HydrophobicContact CG2-CB 4.05Å; W208-A417 HydrophobicContact CB-CB 3.86Å; W208-A417 HydrophobicContact CD2-CB 3.54Å; W208-A417 HydrophobicContact CE3-CB 3.59Å; W208-A417 HydrophobicContact CG-CB 3.66Å; W208-A417 HydrophobicContact CZ3-CB 4.36Å; I413-A417 WeakPolarHBondContact O-CB 3.38Å; I413-A417 PolarHBondContact O-N 3.02Å; I414-A417 PolarHBondContact O-N 2.87Å; A417-T420 PolarHBondContact O-N 2.79Å; A417-W421 VanDerWaalsContact O-CB 3.29Å; A417-W421 WeakPolarHBondContact O-CB 3.37Å; A417-W421 PolarHBondContact O-N 2.99Å
418	Q	98.9	Very high	98.8	Very high	74 Å²	74	25.2 Å²	25.2	35%	0.346	14%	0.136	S	C	.	.	H	α-helix	trans	-62.3	-44.7	178.9	-76.2	171.9	-31.4	0	0	112.9	W208 V360 I414	W208-Q418 HydrophobicContact CH2-CG 3.95Å; W208-Q418 HydrophobicContact CZ2-CG 3.61Å; V360-Q418 HydrophobicContact CG1-CB 4.33Å; I414-Q418 HydrophobicContact CG2-CG 4.04Å; I414-Q418 WeakPolarHBondContact O-CB 3.5Å; I414-Q418 VanDerWaalsContact O-CG 3.29Å; I414-Q418 WeakPolarHBondContact O-CG 3.46Å; I414-Q418 PolarHBondContact O-N 3.38Å
419	E	98.8	Very high	98.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-73.4	-39.4	178.8	72	-167.9	-171	0	0	112	L357 V360 H361 I363 R399 P415 T416 W421 M422	L357-E419 HydrophobicContact CD1-CG 4.39Å; L357-E419 HydrophobicContact CD2-CB 4.08Å; L357-E419 HydrophobicContact CD2-CG 3.96Å; L357-E419 HydrophobicContact CG-CB 3.84Å; L357-E419 HydrophobicContact CG-CG 3.89Å; L357-E419 WeakPolarHBondContact CG-O 3.18Å; V360-E419 HydrophobicContact CB-CB 3.92Å; V360-E419 HydrophobicContact CG1-CB 4.32Å; V360-E419 HydrophobicContact CG2-CB 4.27Å; H361-E419 IonicContact CG-OE2 3.62Å; H361-E419 IonicContact ND1-OE2 2.87Å; H361-E419 PolarHBondContact ND1-OE2 3.36Å; H361-E419 VanDerWaalsContact ND1-OE2 3.07Å; I363-E419 VanDerWaalsContact CG1-OE2 3.31Å; I363-E419 WeakPolarHBondContact CG1-OE2 3.28Å; R399-E419 IonicContact CZ-OE1 3.57Å; R399-E419 IonicContact CZ-OE2 3.91Å; R399-E419 IonicContact NE-OE1 3.9Å; R399-E419 PolarHBondContact NE-OE1 2.73Å; R399-E419 IonicContact NE-OE2 3.54Å; R399-E419 VanDerWaalsContact NH2-CD 3.3Å; R399-E419 IonicContact NH2-OE1 3.67Å; R399-E419 PolarHBondContact NH2-OE1 3.41Å; R399-E419 IonicContact NH2-OE2 3.08Å; R399-E419 PolarHBondContact NH2-OE2 3.27Å; P415-E419 WeakPolarHBondContact O-CG 3.35Å; P415-E419 PolarHBondContact O-N 3.34Å; T416-E419 WeakPolarHBondContact O-CG 3.38Å; E419-W421 VanDerWaalsContact C-N 3.29Å; E419-W421 PolarHBondContact O-N 2.83Å; E419-M422 PolarHBondContact O-N 3.04Å
420	T	98.9	Very high	98.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.1	-39	176	-57.1	0	0	0	0	111.1	T205 F396 L398 T416 A417 M422 A423 L424	T205-T420 HydrophobicContact CG2-CG2 4.29Å; F396-T420 HydrophobicContact CD1-CG2 4.4Å; F396-T420 HydrophobicContact CE1-CG2 4.38Å; L398-T420 HydrophobicContact CD2-CG2 3.86Å; L398-T420 WeakPolarHBondContact CD2-OG1 3.33Å; T416-T420 VanDerWaalsContact O-CB 3.24Å; T416-T420 WeakPolarHBondContact O-CB 3.24Å; T416-T420 PolarHBondContact O-N 3.28Å; T416-T420 PolarHBondContact O-OG1 3.4Å; A417-T420 PolarHBondContact O-N 2.79Å; T420-M422 VanDerWaalsContact C-N 3.25Å; T420-M422 PolarHBondContact O-N 2.81Å; T420-A423 WeakPolarHBondContact O-CB 3.49Å; T420-A423 PolarHBondContact O-N 2.86Å; T420-A423 VanDerWaalsContact O-N 3.11Å; T420-L424 HydrophobicContact CG2-CD1 4.15Å; T420-L424 HydrophobicContact CG2-CG 4.19Å; T420-L424 WeakPolarHBondContact O-CG 3.12Å; T420-L424 PolarHBondContact O-N 3.28Å
421	W	98.9	Very high	98.8	Very high	8 Å²	8	27.5 Å²	27.5	3%	0.03	14%	0.14	C	C	.	.	H	α-helix	trans	-57	-37.3	176.6	172.6	-110.9	0	0	0	113.3	W208 T209 K212 I213 L223 A417 E419 L424 R425 M428	W208-W421 HydrophobicContact CH2-CB 4.28Å; W208-W421 HydrophobicContact CH2-CG 4.42Å; W208-W421 HydrophobicContact CZ3-CB 3.71Å; W208-W421 HydrophobicContact CZ3-CG 4Å; T209-W421 HydrophobicContact CG2-CE3 3.88Å; T209-W421 HydrophobicContact CG2-CZ3 3.91Å; K212-W421 HydrophobicContact CG-CD2 3.82Å; K212-W421 HydrophobicContact CG-CE3 4.37Å; K212-W421 HydrophobicContact CG-CG 4.12Å; K212-W421 HydrophobicContact CG-CZ2 4.04Å; I213-W421 HydrophobicContact CD1-CZ3 4.4Å; I213-W421 HydrophobicContact CG1-CH2 3.71Å; I213-W421 HydrophobicContact CG1-CZ3 3.79Å; L223-W421 HydrophobicContact CD1-CH2 3.95Å; L223-W421 HydrophobicContact CD1-CZ2 4.43Å; L223-W421 HydrophobicContact CD2-CH2 4.23Å; L223-W421 HydrophobicContact CD2-CZ2 4.17Å; A417-W421 VanDerWaalsContact O-CB 3.29Å; A417-W421 WeakPolarHBondContact O-CB 3.37Å; A417-W421 PolarHBondContact O-N 2.99Å; E419-W421 VanDerWaalsContact C-N 3.29Å; E419-W421 PolarHBondContact O-N 2.83Å; W421-L424 PolarHBondContact O-N 2.94Å; W421-R425 VanDerWaalsContact O-CB 3.29Å; W421-R425 WeakPolarHBondContact O-CB 3.29Å; W421-R425 PolarHBondContact O-N 3.12Å; W421-M428 HydrophobicContact CH2-CE 3.89Å; W421-M428 HydrophobicContact CZ3-CE 3.78Å
422	M	98.8	Very high	98.8	Very high	58 Å²	58	23.9 Å²	23.9	29%	0.286	12%	0.117	S	C	.	.	H	α-helix	trans	-66.2	-40.6	177.6	-66.9	-52.5	-58.7	0	0	111.7	A356 V360 E419 T420 T426	A356-M422 HydrophobicContact CB-CB 4.2Å; V360-M422 HydrophobicContact CG2-CB 4.08Å; V360-M422 HydrophobicContact CG2-CG 3.42Å; V360-M422 VanDerWaalsContact CG2-CG 3.42Å; E419-M422 PolarHBondContact O-N 3.04Å; T420-M422 VanDerWaalsContact C-N 3.25Å; T420-M422 PolarHBondContact O-N 2.81Å; M422-T426 PolarHBondContact O-N 3.16Å; M422-T426 VanDerWaalsContact O-N 3.09Å; M422-T426 PolarHBondContact O-OG1 3.48Å; M422-T426 VanDerWaalsContact O-OG1 3.1Å
423	A	98.9	Very high	98.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-65.4	-44.3	173.2	0	0	0	0	0	112.3	A353 L357 F396 T420 R425 T426 I427	A353-A423 HydrophobicContact CB-CB 4Å; A353-A423 WeakPolarHBondContact O-CB 3.4Å; L357-A423 HydrophobicContact CB-CB 4.18Å; L357-A423 HydrophobicContact CD1-CB 4.27Å; F396-A423 HydrophobicContact CE1-CB 3.77Å; F396-A423 HydrophobicContact CZ-CB 3.6Å; T420-A423 WeakPolarHBondContact O-CB 3.49Å; T420-A423 PolarHBondContact O-N 2.86Å; T420-A423 VanDerWaalsContact O-N 3.11Å; A423-R425 PolarHBondContact O-N 3.18Å; A423-T426 PolarHBondContact O-N 2.83Å; A423-I427 WeakPolarHBondContact O-CG1 3.46Å; A423-I427 PolarHBondContact O-N 2.98Å
424	L	98.9	Very high	98.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-58.1	-48.5	175.9	-68.8	175.5	0	0	0	110.9	T209 I320 I322 F396 T420 W421 T426 I427 M428	T209-L424 HydrophobicContact CG2-CD1 4.1Å; I320-L424 HydrophobicContact CB-CD2 4.47Å; I320-L424 HydrophobicContact CD1-CD2 3.78Å; I320-L424 HydrophobicContact CG2-CD2 3.74Å; I322-L424 HydrophobicContact CD1-CD1 4.43Å; I322-L424 HydrophobicContact CD1-CD2 4.37Å; F396-L424 HydrophobicContact CE2-CD2 3.96Å; F396-L424 HydrophobicContact CZ-CD2 4.47Å; T420-L424 HydrophobicContact CG2-CD1 4.15Å; T420-L424 HydrophobicContact CG2-CG 4.19Å; T420-L424 WeakPolarHBondContact O-CG 3.12Å; T420-L424 PolarHBondContact O-N 3.28Å; W421-L424 PolarHBondContact O-N 2.94Å; L424-T426 VanDerWaalsContact C-N 3.31Å; L424-T426 PolarHBondContact O-N 2.59Å; L424-I427 PolarHBondContact O-N 3.02Å; L424-I427 VanDerWaalsContact O-N 3.16Å; L424-M428 HydrophobicContact CB-CE 4.41Å; L424-M428 VanDerWaalsContact O-CG 3.26Å; L424-M428 WeakPolarHBondContact O-CG 3.42Å; L424-M428 PolarHBondContact O-N 3.09Å
425	R	98.7	Very high	98	Very high	47 Å²	47	29.6 Å²	29.6	18%	0.177	15%	0.151	C	C	.	.	H	α-helix	trans	-57.9	-42.3	178.1	-176.4	175	173.3	-91.2	13.1	111.7	D220 V222 W421 A423 M428 E429	D220-R425 IonicContact OD1-CZ 3.71Å; D220-R425 IonicContact OD1-NE 3.68Å; D220-R425 PolarHBondContact OD1-NE 3.28Å; D220-R425 IonicContact OD1-NH2 3.07Å; D220-R425 PolarHBondContact OD1-NH2 2.97Å; D220-R425 IonicContact OD2-CZ 3.14Å; D220-R425 IonicContact OD2-NE 3.75Å; D220-R425 IonicContact OD2-NH2 2.75Å; D220-R425 PolarHBondContact OD2-NH2 2.73Å; V222-R425 HydrophobicContact CG1-CG 4.29Å; V222-R425 VanDerWaalsContact CG2-NH2 3.34Å; W421-R425 VanDerWaalsContact O-CB 3.29Å; W421-R425 WeakPolarHBondContact O-CB 3.29Å; W421-R425 PolarHBondContact O-N 3.12Å; A423-R425 PolarHBondContact O-N 3.18Å; R425-M428 PolarHBondContact O-N 2.87Å; R425-E429 VanDerWaalsContact O-CB 3.28Å; R425-E429 WeakPolarHBondContact O-CB 3.09Å; R425-E429 PolarHBondContact O-N 2.88Å
426	T	98.9	Very high	97.2	Very high	26 Å²	26	35.6 Å²	35.6	16%	0.16	17%	0.171	C	C	.	.	H	α-helix	trans	-60.7	-45.7	175.1	-63.5	0	0	0	0	112.3	L349 D352 A353 A356 M422 A423 L424 E429 H430	L349-T426 HydrophobicContact CD1-CG2 4.16Å; D352-T426 HydrophobicContact CB-CG2 4.05Å; A353-T426 HydrophobicContact CB-CG2 4.18Å; A356-T426 WeakPolarHBondContact CB-OG1 3.08Å; M422-T426 PolarHBondContact O-N 3.16Å; M422-T426 VanDerWaalsContact O-N 3.09Å; M422-T426 PolarHBondContact O-OG1 3.48Å; M422-T426 VanDerWaalsContact O-OG1 3.1Å; A423-T426 PolarHBondContact O-N 2.83Å; L424-T426 VanDerWaalsContact C-N 3.31Å; L424-T426 PolarHBondContact O-N 2.59Å; T426-E429 PolarHBondContact O-N 3.37Å; T426-H430 PolarHBondContact O-N 3.47Å
427	I	98.9	Very high	97.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-64.4	-43.3	178.1	-64.6	165.7	0	0	0	111	I320 L329 L349 A353 F394 F396 A423 L424 H430 T431	I320-I427 HydrophobicContact CD1-CB 4.33Å; I320-I427 HydrophobicContact CD1-CD1 4.46Å; I320-I427 HydrophobicContact CD1-CG2 3.86Å; I320-I427 HydrophobicContact CG1-CG2 4.41Å; L329-I427 HydrophobicContact CD1-CD1 4.42Å; L329-I427 HydrophobicContact CD2-CD1 4.38Å; L349-I427 HydrophobicContact CG-CG1 4.41Å; A353-I427 HydrophobicContact CB-CD1 4.35Å; A353-I427 HydrophobicContact CB-CG1 4.08Å; F394-I427 HydrophobicContact CB-CD1 4.4Å; F394-I427 HydrophobicContact CD2-CD1 4.06Å; F394-I427 HydrophobicContact CD2-CG1 4.42Å; F394-I427 HydrophobicContact CD2-CG2 3.94Å; F394-I427 HydrophobicContact CE2-CG1 4.45Å; F394-I427 HydrophobicContact CE2-CG2 4.07Å; F394-I427 HydrophobicContact CG-CD1 4.12Å; F396-I427 HydrophobicContact CE2-CD1 3.96Å; F396-I427 HydrophobicContact CZ-CD1 4.1Å; A423-I427 WeakPolarHBondContact O-CG1 3.46Å; A423-I427 PolarHBondContact O-N 2.98Å; L424-I427 PolarHBondContact O-N 3.02Å; L424-I427 VanDerWaalsContact O-N 3.16Å; I427-H430 PolarHBondContact O-N 3.02Å; I427-T431 WeakPolarHBondContact O-CB 3.38Å; I427-T431 PolarHBondContact O-N 2.8Å; I427-T431 PolarHBondContact O-OG1 3.11Å
428	M	98.8	Very high	97	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-66.6	-40.5	179.2	-64.7	-171.1	-67.8	0	0	112.1	I189 I226 I232 W421 L424 R425 T431 L432	I189-M428 HydrophobicContact CD1-CB 3.95Å; I189-M428 HydrophobicContact CD1-CG 3.8Å; I189-M428 HydrophobicContact CD1-SD 4.26Å; I189-M428 HydrophobicContact CG2-CG 4.29Å; I226-M428 HydrophobicContact CD1-CB 3.69Å; I232-M428 HydrophobicContact CD1-SD 3.73Å; I232-M428 HydrophobicContact CG1-SD 4.42Å; W421-M428 HydrophobicContact CH2-CE 3.89Å; W421-M428 HydrophobicContact CZ3-CE 3.78Å; L424-M428 HydrophobicContact CB-CE 4.41Å; L424-M428 VanDerWaalsContact O-CG 3.26Å; L424-M428 WeakPolarHBondContact O-CG 3.42Å; L424-M428 PolarHBondContact O-N 3.09Å; R425-M428 PolarHBondContact O-N 2.87Å; M428-T431 WeakPolarHBondContact O-CB 3.22Å; M428-T431 PolarHBondContact O-N 3.48Å; M428-L432 PolarHBondContact O-N 3.5Å
429	E	98.8	Very high	96.9	Very high	67 Å²	67	37.4 Å²	37.4	31%	0.313	18%	0.18	S	C	.	.	H	α-helix	trans	-63.5	-43	175.1	-178.3	170.9	-154.8	0	0	111.5	V222 R425 T426 T431 L432 N433	V222-E429 HydrophobicContact CG1-CB 3.81Å; V222-E429 HydrophobicContact CG1-CG 3.84Å; R425-E429 VanDerWaalsContact O-CB 3.28Å; R425-E429 WeakPolarHBondContact O-CB 3.09Å; R425-E429 PolarHBondContact O-N 2.88Å; T426-E429 PolarHBondContact O-N 3.37Å; E429-T431 VanDerWaalsContact C-N 3.3Å; E429-T431 PolarHBondContact O-N 2.91Å; E429-L432 PolarHBondContact O-N 2.96Å; E429-N433 PolarHBondContact O-N 3.43Å; E429-N433 VanDerWaalsContact O-N 3.11Å; E429-N433 PolarHBondContact O-ND2 3.19Å; E429-N433 VanDerWaalsContact O-ND2 3.1Å
430	H	98.8	Very high	96.8	Very high	37 Å²	37	39.6 Å²	39.6	17%	0.171	19%	0.191	C	C	.	.	H	α-helix	trans	-60.6	-42.8	173.4	-173	92.1	0	0	0	111.7	E345 L349 Y392 T426 I427 L432 N433 H434	E345-H430 IonicContact OE1-CE1 3.06Å; E345-H430 IonicContact OE1-NE2 3.45Å; E345-H430 PolarHBondContact OE1-NE2 2.87Å; L349-H430 HydrophobicContact CD1-CB 3.48Å; L349-H430 VanDerWaalsContact CD1-CB 3.48Å; L349-H430 HydrophobicContact CD2-CB 3.92Å; L349-H430 HydrophobicContact CG-CB 4.36Å; Y392-H430 AromaticContact CE1-CD2 3.51Å; Y392-H430 AromaticContact CE1-NE2 3.62Å; Y392-H430 AromaticContact CZ-CD2 3.7Å; Y392-H430 AromaticContact CZ-NE2 3.91Å; T426-H430 PolarHBondContact O-N 3.47Å; I427-H430 PolarHBondContact O-N 3.02Å; H430-L432 PolarHBondContact O-N 3.3Å; H430-N433 PolarHBondContact O-N 2.97Å; H430-H434 AromaticContact CD2-ND1 3.65Å; H430-H434 AromaticContact CE1-CE1 3.5Å; H430-H434 PolarHBondContact CE1-CE1 3.34Å; H430-H434 VanDerWaalsContact CE1-CE1 3.5Å; H430-H434 AromaticContact CE1-ND1 3.35Å; H430-H434 PolarHBondContact CE1-ND1 3.05Å; H430-H434 VanDerWaalsContact CE1-ND1 3.35Å; H430-H434 AromaticContact CG-ND1 3.72Å; H430-H434 AromaticContact ND1-CE1 3.69Å; H430-H434 AromaticContact ND1-ND1 3.52Å; H430-H434 AromaticContact NE2-CG 3.82Å; H430-H434 AromaticContact NE2-ND1 3.42Å; H430-H434 PolarHBondContact NE2-ND1 3.2Å; H430-H434 WeakPolarHBondContact O-CB 3.4Å; H430-H434 PolarHBondContact O-N 3.03Å; H430-H434 PolarHBondContact O-ND1 3.32Å
431	T	98.4	Very high	96.7	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62	-43.2	179.2	-55.8	0	0	0	0	111.6	I189 M230 K317 A318 Y392 I427 M428 E429 N433 H434	I189-T431 HydrophobicContact CG1-CG2 4.34Å; M230-T431 HydrophobicContact CE-CG2 3.54Å; M230-T431 HydrophobicContact SD-CG2 4.2Å; K317-T431 HydrophobicContact CB-CG2 3.55Å; A318-T431 HydrophobicContact CB-CG2 4.09Å; Y392-T431 HydrophobicContact CD2-CG2 3.81Å; Y392-T431 HydrophobicContact CE2-CG2 4.14Å; I427-T431 WeakPolarHBondContact O-CB 3.38Å; I427-T431 PolarHBondContact O-N 2.8Å; I427-T431 PolarHBondContact O-OG1 3.11Å; M428-T431 WeakPolarHBondContact O-CB 3.22Å; M428-T431 PolarHBondContact O-N 3.48Å; E429-T431 VanDerWaalsContact C-N 3.3Å; E429-T431 PolarHBondContact O-N 2.91Å; T431-N433 VanDerWaalsContact C-N 3.33Å; T431-N433 PolarHBondContact O-N 2.03Å; T431-H434 CarbonylContact O-C 3.56Å; T431-H434 PolarHBondContact O-N 3.36Å
432	L	98	Very high	96.6	Very high	40 Å²	40	44.4 Å²	44.4	21%	0.209	21%	0.214	C	C	.	.	H	α-helix	trans	-58.3	-45.4	175	173.7	65.5	0	0	0	111.6	D225 I226 A229 M230 M428 E429 H430 H434	D225-L432 HydrophobicContact CB-CD2 4.17Å; I226-L432 HydrophobicContact CG1-CB 4.25Å; I226-L432 HydrophobicContact CG1-CD2 3.89Å; A229-L432 HydrophobicContact CB-CD1 3.5Å; A229-L432 VanDerWaalsContact CB-CD1 3.5Å; M230-L432 HydrophobicContact CG-CD1 4.35Å; M230-L432 HydrophobicContact SD-CB 4.19Å; M230-L432 HydrophobicContact SD-CD1 4.42Å; M428-L432 PolarHBondContact O-N 3.5Å; E429-L432 PolarHBondContact O-N 2.96Å; H430-L432 PolarHBondContact O-N 3.3Å; L432-H434 VanDerWaalsContact C-N 3.29Å; L432-H434 PolarHBondContact O-N 2.85Å
433	N	98.1	Very high	96.4	Very high	100 Å²	100	43.4 Å²	43.4	54%	0.535	21%	0.209	S	C	.	.	H	α-helix	trans	-76.4	-16.7	-176.5	-68.1	-35.1	0	0	0	113.3	E429 H430 T431	E429-N433 PolarHBondContact O-N 3.43Å; E429-N433 VanDerWaalsContact O-N 3.11Å; E429-N433 PolarHBondContact O-ND2 3.19Å; E429-N433 VanDerWaalsContact O-ND2 3.1Å; H430-N433 PolarHBondContact O-N 2.97Å; T431-N433 VanDerWaalsContact C-N 3.33Å; T431-N433 PolarHBondContact O-N 2.03Å
434	H	97.1	Very high	96.2	Very high	69 Å²	69	46.8 Å²	46.8	32%	0.319	23%	0.225	S	C	.	.			trans	-134.8	65.6	-176.7	-55.4	96	0	0	0	111.6	Y392 H430 T431 L432 Y436	Y392-H434 WeakPolarHBondContact CE2-O 3.45Å; Y392-H434 WeakPolarHBondContact OH-CB 2.97Å; Y392-H434 PolarHBondContact OH-O 3.28Å; H430-H434 AromaticContact CD2-ND1 3.65Å; H430-H434 AromaticContact CE1-CE1 3.5Å; H430-H434 PolarHBondContact CE1-CE1 3.34Å; H430-H434 VanDerWaalsContact CE1-CE1 3.5Å; H430-H434 AromaticContact CE1-ND1 3.35Å; H430-H434 PolarHBondContact CE1-ND1 3.05Å; H430-H434 VanDerWaalsContact CE1-ND1 3.35Å; H430-H434 AromaticContact CG-ND1 3.72Å; H430-H434 AromaticContact ND1-CE1 3.69Å; H430-H434 AromaticContact ND1-ND1 3.52Å; H430-H434 AromaticContact NE2-CG 3.82Å; H430-H434 AromaticContact NE2-ND1 3.42Å; H430-H434 PolarHBondContact NE2-ND1 3.2Å; H430-H434 WeakPolarHBondContact O-CB 3.4Å; H430-H434 PolarHBondContact O-N 3.03Å; H430-H434 PolarHBondContact O-ND1 3.32Å; T431-H434 CarbonylContact O-C 3.56Å; T431-H434 PolarHBondContact O-N 3.36Å; L432-H434 VanDerWaalsContact C-N 3.29Å; L432-H434 PolarHBondContact O-N 2.85Å; H434-Y436 VanDerWaalsContact C-N 3.26Å; H434-Y436 HydrophobicContact CB-CD1 4.4Å; H434-Y436 HydrophobicContact CB-CE1 3.66Å; H434-Y436 PolarHBondContact O-N 2.98Å
435	P	85.6	Confident	96	Very high	65 Å²	65	50.7 Å²	50.7	42%	0.422	24%	0.244	S	C	.	.			trans	-81.2	4.7	-165	34.3	-39.2	0	0	0	115.1	K317	K317-P435 VanDerWaalsContact CD-O 3.31Å; K317-P435 WeakPolarHBondContact CD-O 3.43Å; K317-P435 WeakPolarHBondContact CE-O 3.5Å; K317-P435 PolarHBondContact NZ-O 3.42Å
436	Y	82	Confident	95.7	Very high	157 Å²	157	51 Å²	51	62%	0.616	25%	0.25	S	C	*	.			trans	-69.4	0	-170	50.5	-101.8	0	0	0	112.3	K317 E345 K391 Y392 H434	K317-Y436 PolarHBondContact NZ-OXT 3.4Å; E345-Y436 PolarHBondContact OE1-OH 3.34Å; E345-Y436 PolarHBondContact OE2-OH 2.96Å; K391-Y436 HydrophobicContact CD-CD2 4.33Å; K391-Y436 HydrophobicContact CD-CE2 3.62Å; K391-Y436 PolarHBondContact NZ-OH 3.49Å; Y392-Y436 PolarHBondContact OH-OH 3.08Å; H434-Y436 VanDerWaalsContact C-N 3.26Å; H434-Y436 HydrophobicContact CB-CD1 4.4Å; H434-Y436 HydrophobicContact CB-CE1 3.66Å; H434-Y436 PolarHBondContact O-N 2.98Å

Retrieved 436 of 436 residues in 143 ms (Link to these results)

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