A0A096NQU1_PAPAN Loading...

Succinyl-CoA:glutarate CoA-transferase

Coenzyme A (CoA) transferase that reversibly catalyzes the transfer of a CoA moiety from a dicarboxyl-CoA to a dicarboxylate in a metabolite recycling process. Displays preference for succinyl-CoA and glutarate-CoA as dicarboxyl-CoA donors and glutarate, succinate, adipate/hexanedioate, itaconate and 3-hydroxy-3-methylglutarate as dicarboxylate acceptors. Acts on intermediates or end products of lysine and tryptophan degradation pathway, in particular catalyzes succinyl-CoA-dependent reesterification of free glutarate into glutaryl-CoA to prevent renal excretion of glutarate. Upon inflammation, may convert macrophage-derived itaconate to itaconyl-CoA in erythroid precursors where it negatively regulates the TCA cycle and heme synthesis to limit erythroid differentiation in the context of stress erythropoiesis.

AlphaFold DB , UniProt , Accession A0A096NQU1, Species PAPAN (Papio anubis, Olive baboon), Gene SUGCT, Length 445 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.8	Very low	40.3	Very low	240 Å²	240	115.5 Å²	115.5	100%	1.182	66%	0.66	S	S	*	*				0	101.5	0	-70.9	-166.1	-101.9	0	0	108.6
2	P	38.3	Very low	40.4	Very low	125 Å²	125	115.1 Å²	115.1	81%	0.812	65%	0.653	S	S	*	*			trans	-84.4	133.6	169.6	5.1	14.3	0	0	0	109.3
3	S	42.7	Very low	40.2	Very low	80 Å²	80	110.8 Å²	110.8	56%	0.559	64%	0.641	S	S	*	*			trans	-70.3	149.8	-171.1	54.9	0	0	0	0	113.8	A5 H6	S3-A5 PolarHBondContact O-N 3.11Å; S3-H6 PolarHBondContact O-N 2.76Å
4	E	43.7	Very low	40.4	Very low	182 Å²	182	117.3 Å²	117.3	85%	0.85	65%	0.649	S	S	*	*	H	α-helix	trans	-49.6	-21.4	178.4	-68.2	176.1	143.5	0	0	114.5	H6 A7 M8	E4-H6 VanDerWaalsContact C-N 3.32Å; E4-H6 PolarHBondContact O-N 3.08Å; E4-A7 PolarHBondContact O-N 3.25Å; E4-M8 PolarHBondContact O-N 3.31Å
5	A	38.5	Very low	40.5	Very low	56 Å²	56	114.9 Å²	114.9	46%	0.463	64%	0.639	S	S	.	*	H	α-helix	trans	-62	-33.9	175	0	0	0	0	0	113.5	S3 L9	S3-A5 PolarHBondContact O-N 3.11Å; A5-L9 PolarHBondContact O-N 2.85Å
6	H	38.8	Very low	40.3	Very low	142 Å²	142	111.3 Å²	111.3	66%	0.657	63%	0.628	S	S	*	*	H	α-helix	trans	-73	-33.1	179.8	-93.4	73.6	0	0	0	112.8	S3 E4 A10	S3-H6 PolarHBondContact O-N 2.76Å; E4-H6 VanDerWaalsContact C-N 3.32Å; E4-H6 PolarHBondContact O-N 3.08Å; H6-A10 PolarHBondContact O-N 3.04Å
7	A	43.6	Very low	40.1	Very low	65 Å²	65	108.4 Å²	108.4	54%	0.537	62%	0.621	S	S	.	*	H	α-helix	trans	-70.2	-34.7	176.3	0	0	0	0	0	111.9	E4 T11	E4-A7 PolarHBondContact O-N 3.25Å; A7-T11 PolarHBondContact O-N 3.44Å; A7-T11 PolarHBondContact O-OG1 3.16Å
8	M	39	Very low	40.2	Very low	133 Å²	133	109.5 Å²	109.5	66%	0.655	62%	0.624	S	S	*	*	H	α-helix	trans	-70.5	-39.8	178.7	-160	-179.2	164.2	0	0	112.2	E4 T11 L12	E4-M8 PolarHBondContact O-N 3.31Å; M8-T11 PolarHBondContact O-N 3.4Å; M8-L12 PolarHBondContact O-N 3.39Å; M8-L12 VanDerWaalsContact O-N 3.12Å
9	L	36.5	Very low	40.4	Very low	122 Å²	122	114.2 Å²	114.2	64%	0.639	63%	0.631	S	S	*	*	H	α-helix	trans	-67.2	-38	175	-97.4	134.8	0	0	0	113	A5 T11 L12 A13	A5-L9 PolarHBondContact O-N 2.85Å; L9-T11 VanDerWaalsContact C-N 3.28Å; L9-T11 PolarHBondContact O-N 2.95Å; L9-L12 PolarHBondContact O-N 2.98Å; L9-A13 WeakPolarHBondContact O-CB 3.36Å; L9-A13 PolarHBondContact O-N 2.79Å
10	A	39.3	Very low	40	Very low	60 Å²	60	118.1 Å²	118.1	50%	0.496	64%	0.635	S	S	.	*	H	α-helix	trans	-65.9	-31	175.3	0	0	0	0	0	112.7	H6 R14	H6-A10 PolarHBondContact O-N 3.04Å; A10-R14 PolarHBondContact O-N 3.48Å
11	T	45.5	Very low	39.7	Very low	66 Å²	66	118.7 Å²	118.7	41%	0.405	64%	0.643	S	S	.	*	H	α-helix	trans	-75.1	-41	177.7	-50.6	0	0	0	0	111.5	A7 M8 L9 A13 R14 V15	A7-T11 PolarHBondContact O-N 3.44Å; A7-T11 PolarHBondContact O-OG1 3.16Å; M8-T11 PolarHBondContact O-N 3.4Å; L9-T11 VanDerWaalsContact C-N 3.28Å; L9-T11 PolarHBondContact O-N 2.95Å; T11-A13 VanDerWaalsContact C-N 3.34Å; T11-A13 PolarHBondContact O-N 2.95Å; T11-R14 PolarHBondContact O-N 3.32Å; T11-V15 PolarHBondContact O-N 2.8Å
12	L	40.8	Very low	39.5	Very low	110 Å²	110	112.7 Å²	112.7	58%	0.576	62%	0.624	S	S	*	*	H	α-helix	trans	-65.6	-35.1	174.2	-76.2	163.6	0	0	0	112.6	M8 L9 V15 A16	M8-L12 PolarHBondContact O-N 3.39Å; M8-L12 VanDerWaalsContact O-N 3.12Å; L9-L12 PolarHBondContact O-N 2.98Å; L12-V15 PolarHBondContact O-N 3.48Å; L12-A16 WeakPolarHBondContact O-CB 3.41Å; L12-A16 PolarHBondContact O-N 3.3Å
13	A	38.8	Very low	39	Very low	60 Å²	60	113.7 Å²	113.7	50%	0.496	62%	0.621	S	S	.	*	H	α-helix	trans	-66.4	-35	175.6	0	0	0	0	0	112.7	L9 T11 A17	L9-A13 WeakPolarHBondContact O-CB 3.36Å; L9-A13 PolarHBondContact O-N 2.79Å; T11-A13 VanDerWaalsContact C-N 3.34Å; T11-A13 PolarHBondContact O-N 2.95Å; A13-A17 VanDerWaalsContact O-CB 3.29Å; A13-A17 WeakPolarHBondContact O-CB 3.36Å; A13-A17 PolarHBondContact O-N 2.8Å
14	R	43	Very low	38.4	Very low	201 Å²	201	119.5 Å²	119.5	76%	0.758	64%	0.637	S	S	*	*	H	α-helix	trans	-68.4	-37.7	174	-83.9	-176.2	170.2	-166.5	-1.7	112.7	A10 T11 A17 L18	A10-R14 PolarHBondContact O-N 3.48Å; T11-R14 PolarHBondContact O-N 3.32Å; R14-A17 PolarHBondContact O-N 3.35Å; R14-L18 PolarHBondContact O-N 2.98Å
15	V	42.1	Very low	38.1	Very low	82 Å²	82	116.6 Å²	116.6	50%	0.497	64%	0.637	S	S	.	*	H	α-helix	trans	-70.4	-36.6	176	178.1	0	0	0	0	111.7	T11 L12	T11-V15 PolarHBondContact O-N 2.8Å; L12-V15 PolarHBondContact O-N 3.48Å
16	A	37.1	Very low	37.6	Very low	57 Å²	57	117.5 Å²	117.5	47%	0.471	65%	0.652	S	S	.	*	H	α-helix	trans	-71.7	-32.3	174.4	0	0	0	0	0	113.2	L12 L18 R19	L12-A16 WeakPolarHBondContact O-CB 3.41Å; L12-A16 PolarHBondContact O-N 3.3Å; A16-L18 VanDerWaalsContact C-N 3.34Å; A16-R19 PolarHBondContact O-N 3.27Å
17	A	35.7	Very low	37.5	Very low	61 Å²	61	123.3 Å²	123.3	50%	0.504	67%	0.668	S	S	.	*	H	α-helix	trans	-68.8	-29.9	177.7	0	0	0	0	0	113	A13 R14 R19 R20	A13-A17 VanDerWaalsContact O-CB 3.29Å; A13-A17 WeakPolarHBondContact O-CB 3.36Å; A13-A17 PolarHBondContact O-N 2.8Å; R14-A17 PolarHBondContact O-N 3.35Å; A17-R19 PolarHBondContact O-N 3.17Å; A17-R19 VanDerWaalsContact O-N 3.07Å; A17-R20 PolarHBondContact O-N 2.85Å
18	L	41.8	Very low	36.8	Very low	129 Å²	129	123.8 Å²	123.8	68%	0.675	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.6	-11.3	174.9	-79.9	159.6	0	0	0	114.2	R14 A16	R14-L18 PolarHBondContact O-N 2.98Å; A16-L18 VanDerWaalsContact C-N 3.34Å
19	R	44.5	Very low	36.8	Very low	199 Å²	199	121.9 Å²	121.9	75%	0.751	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112	-3.8	178	-75.7	-171.6	174.5	-170.4	0.6	115.2	A16 A17	A16-R19 PolarHBondContact O-N 3.27Å; A17-R19 PolarHBondContact O-N 3.17Å; A17-R19 VanDerWaalsContact O-N 3.07Å
20	R	32.3	Very low	36.4	Very low	192 Å²	192	119.4 Å²	119.4	73%	0.725	70%	0.698	S	S	*	*			trans	-88.4	-5.5	-172.4	-85.6	-169.6	178.1	-165.9	0.8	116.3	A17 C22	A17-R20 PolarHBondContact O-N 2.85Å; R20-C22 VanDerWaalsContact C-N 3.28Å; R20-C22 PolarHBondContact O-N 3.32Å
21	T	33.8	Very low	36.6	Very low	131 Å²	131	128 Å²	128	80%	0.804	72%	0.717	S	S	*	*	S	Bend	trans	-89.3	60.5	170	29.6	0	0	0	0	111.8
22	C	34	Very low	35.9	Very low	113 Å²	113	128.9 Å²	128.9	76%	0.764	74%	0.739	S	S	*	*			trans	-178.4	73.1	154.6	-100.2	0	0	0	0	108.9	R20	R20-C22 VanDerWaalsContact C-N 3.28Å; R20-C22 PolarHBondContact O-N 3.32Å
23	L	28.6	Very low	35.8	Very low	146 Å²	146	130.8 Å²	130.8	76%	0.764	75%	0.749	S	S	*	*			trans	-115.7	89.5	165.8	-81.2	161.4	0	0	0	107.6
24	F	30	Very low	36	Very low	202 Å²	202	135.9 Å²	135.9	89%	0.886	76%	0.756	S	S	*	*			trans	-84.1	120.5	158.1	-92.5	-81.5	0	0	0	108.4
25	S	35.8	Very low	36.2	Very low	121 Å²	121	133.1 Å²	133.1	85%	0.846	76%	0.762	S	S	*	*			trans	-69.6	132.5	168.7	43.8	0	0	0	0	110.2
26	G	28.6	Very low	36.2	Very low	76 Å²	76	132.9 Å²	132.9	78%	0.784	78%	0.776	S	S	*	*			trans	171.8	108.6	170.9	0	0	0	0	0	113.3
27	R	36.5	Very low	36.3	Very low	264 Å²	264	136.3 Å²	136.3	100%	0.996	78%	0.776	S	S	*	*			trans	-66.9	137.1	166.8	-76.8	175.7	169.4	-178.2	-3.5	109.8
28	G	29.6	Very low	36.4	Very low	74 Å²	74	137.1 Å²	137.1	76%	0.763	78%	0.777	S	S	*	*			trans	148.2	118.6	164	0	0	0	0	0	112.7	G30	G28-G30 PolarHBondContact O-N 3.47Å
29	G	38.1	Very low	36.6	Very low	93 Å²	93	139.3 Å²	139.3	96%	0.959	78%	0.783	S	S	*	*			trans	-60	133	177.4	0	0	0	0	0	112.4
30	G	28.9	Very low	36.5	Very low	71 Å²	71	134.3 Å²	134.3	73%	0.732	78%	0.779	S	S	*	*			trans	-177.5	131.4	176.6	0	0	0	0	0	110.2	G28 G32	G28-G30 PolarHBondContact O-N 3.47Å; G30-G32 PolarHBondContact O-N 3.46Å
31	R	43.5	Very low	37.5	Very low	240 Å²	240	129.7 Å²	129.7	91%	0.906	77%	0.769	S	S	*	*			trans	-45.2	120.6	176.9	-68.4	170.6	174.3	-176.2	-3	110.7	L33	R31-L33 VanDerWaalsContact C-N 3.28Å; R31-L33 PolarHBondContact O-N 2.93Å
32	G	30	Very low	38.3	Very low	84 Å²	84	126.9 Å²	126.9	87%	0.866	75%	0.747	S	S	*	*			trans	-69	84.7	171.8	0	0	0	0	0	110.8	G30	G30-G32 PolarHBondContact O-N 3.46Å
33	L	38.9	Very low	39.4	Very low	150 Å²	150	127.6 Å²	127.6	79%	0.785	74%	0.743	S	S	*	*			trans	-69.8	134	164.5	-89.2	145.8	0	0	0	108.9	R31 T35	R31-L33 VanDerWaalsContact C-N 3.28Å; R31-L33 PolarHBondContact O-N 2.93Å; L33-T35 PolarHBondContact O-N 3.37Å
34	W	43	Very low	41.2	Very low	167 Å²	167	125.1 Å²	125.1	63%	0.633	73%	0.731	S	S	*	*			trans	-40.5	119.9	169	-81.2	65.5	0	0	0	111.7	G36 M42 I45	W34-G36 PolarHBondContact O-N 3.41Å; W34-M42 HydrophobicContact CD2-CE 3.71Å; W34-M42 HydrophobicContact CD2-SD 4.2Å; W34-M42 HydrophobicContact CE3-CE 3.82Å; W34-M42 HydrophobicContact CE3-SD 3.72Å; W34-M42 HydrophobicContact CG-CE 4.23Å; W34-M42 HydrophobicContact CH2-CE 4.3Å; W34-M42 HydrophobicContact CZ2-CE 4.18Å; W34-M42 HydrophobicContact CZ3-CE 4.11Å; W34-M42 HydrophobicContact CZ3-SD 3.95Å; W34-I45 HydrophobicContact CH2-CD1 3.49Å; W34-I45 VanDerWaalsContact CH2-CD1 3.49Å; W34-I45 HydrophobicContact CZ2-CD1 4.33Å; W34-I45 HydrophobicContact CZ3-CD1 3.6Å
35	T	48.7	Very low	43.6	Very low	144 Å²	144	117.4 Å²	117.4	88%	0.883	70%	0.698	S	S	*	*			trans	-78.8	104.5	169	46	0	0	0	0	109.8	L33	L33-T35 PolarHBondContact O-N 3.37Å
36	G	42.2	Very low	46	Very low	77 Å²	77	114 Å²	114	79%	0.794	67%	0.668	S	S	*	*			trans	78.4	40.8	140.1	0	0	0	0	0	119.8	W34	W34-G36 PolarHBondContact O-N 3.41Å
37	R	38.1	Very low	49.1	Very low	128 Å²	128	113.7 Å²	113.7	48%	0.483	65%	0.653	S	S	.	*			trans	-97.3	140.9	155.6	-75.5	-170.3	-177.8	178.4	1.9	109.8	Q39 M42 E49	R37-Q39 PolarHBondContact O-N 3.38Å; R37-M42 HydrophobicContact CB-SD 4.46Å; R37-E49 IonicContact NH1-OE1 2.78Å; R37-E49 PolarHBondContact NH1-OE1 2.97Å
38	P	38.4	Very low	51.9	Low	79 Å²	79	101.5 Å²	101.5	51%	0.513	61%	0.607	S	S	.	*			trans	-53.2	139.3	173.4	-16	24.9	0	0	0	110.3	S40 D41	P38-S40 PolarHBondContact O-N 3.05Å; P38-D41 PolarHBondContact O-N 3.11Å
39	Q	44.8	Very low	54.9	Low	175 Å²	175	102.4 Å²	102.4	82%	0.818	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59	-18	-175.1	-162.3	167.7	-9.6	0	0	113.5	R37	R37-Q39 PolarHBondContact O-N 3.38Å
40	S	43.5	Very low	57.6	Low	93 Å²	93	101.3 Å²	101.3	65%	0.65	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	-26.2	172.7	54.7	0	0	0	0	114.3	P38	P38-S40 PolarHBondContact O-N 3.05Å
41	D	51.8	Low	60.9	Low	96 Å²	96	99 Å²	99	51%	0.513	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.7	-16.7	179.4	-87.3	-14.7	0	0	0	113.5	P38 N43	P38-D41 PolarHBondContact O-N 3.11Å; D41-N43 PolarHBondContact O-N 3.25Å
42	M	52.3	Low	63.5	Low	71 Å²	71	90.5 Å²	90.5	35%	0.35	52%	0.522	S	S	.	.	G	3₁₀ helix	trans	-71.9	-17.5	178.4	-66.3	-61.4	-61.8	0	0	112.9	W34 R37 N44 I45	W34-M42 HydrophobicContact CD2-CE 3.71Å; W34-M42 HydrophobicContact CD2-SD 4.2Å; W34-M42 HydrophobicContact CE3-CE 3.82Å; W34-M42 HydrophobicContact CE3-SD 3.72Å; W34-M42 HydrophobicContact CG-CE 4.23Å; W34-M42 HydrophobicContact CH2-CE 4.3Å; W34-M42 HydrophobicContact CZ2-CE 4.18Å; W34-M42 HydrophobicContact CZ3-CE 4.11Å; W34-M42 HydrophobicContact CZ3-SD 3.95Å; R37-M42 HydrophobicContact CB-SD 4.46Å; M42-N44 VanDerWaalsContact C-N 3.28Å; M42-N44 PolarHBondContact O-N 3.24Å; M42-I45 HydrophobicContact CE-CD1 3.77Å; M42-I45 HydrophobicContact SD-CD1 3.48Å; M42-I45 WeakPolarHBondContact SD-CD1 3.5Å
43	N	55.7	Low	66.8	Low	128 Å²	128	86.5 Å²	86.5	68%	0.684	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-81.3	0.4	-176	-74.3	-24	0	0	0	114.2	D41	D41-N43 PolarHBondContact O-N 3.25Å
44	N	66.6	Low	69.7	Low	95 Å²	95	79.4 Å²	79.4	51%	0.508	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-139.7	19.4	177.9	-155.2	30	0	0	0	114.2	M42 K46 K401	M42-N44 VanDerWaalsContact C-N 3.28Å; M42-N44 PolarHBondContact O-N 3.24Å; N44-K46 PolarHBondContact O-N 3.42Å; N44-K401 PolarHBondContact OD1-N 3.01Å
45	I	80.8	Confident	72.3	Confident	39 Å²	39	71.4 Å²	71.4	20%	0.2	41%	0.413	C	S	.	.			trans	-68.1	123.5	173.1	-60.2	-178.4	0	0	0	108.2	W34 M42 E49	W34-I45 HydrophobicContact CH2-CD1 3.49Å; W34-I45 VanDerWaalsContact CH2-CD1 3.49Å; W34-I45 HydrophobicContact CZ2-CD1 4.33Å; W34-I45 HydrophobicContact CZ3-CD1 3.6Å; M42-I45 HydrophobicContact CE-CD1 3.77Å; M42-I45 HydrophobicContact SD-CD1 3.48Å; M42-I45 WeakPolarHBondContact SD-CD1 3.5Å; I45-E49 HydrophobicContact CG2-CB 4.29Å
46	K	86.8	Confident	74.7	Confident	49 Å²	49	64.6 Å²	64.6	21%	0.213	37%	0.371	C	S	.	.			trans	-75.6	147.3	178.8	-58	179.1	-160.1	159.2	0	110	N44 L48 E49 L72 S403	N44-K46 PolarHBondContact O-N 3.42Å; K46-L48 PolarHBondContact O-N 3.2Å; K46-L48 VanDerWaalsContact O-N 3.1Å; K46-E49 HydrophobicContact CB-CB 4.37Å; K46-E49 WeakPolarHBondContact O-CB 3.27Å; K46-E49 PolarHBondContact O-N 3.43Å; K46-L72 WeakPolarHBondContact CB-O 3.25Å; K46-S403 VanDerWaalsContact CE-CB 3.42Å; K46-S403 WeakPolarHBondContact CE-OG 3.21Å; K46-S403 PolarHBondContact NZ-OG 3.19Å
47	P	92.3	Very high	77.4	Confident	70 Å²	70	61 Å²	61	46%	0.455	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-24.4	-173	24	-34.5	0	0	0	114.1	L72 F400	P47-L72 HydrophobicContact CG-CB 4.18Å; P47-L72 HydrophobicContact CG-CD1 4.45Å; P47-L72 HydrophobicContact CG-CD2 4Å; P47-L72 HydrophobicContact CG-CG 4.46Å; P47-F400 HydrophobicContact CG-CE1 4Å; P47-F400 HydrophobicContact CG-CE2 4.08Å; P47-F400 HydrophobicContact CG-CZ 3.63Å
48	L	95.3	Very high	80.2	Confident	8 Å²	8	57.7 Å²	57.7	4%	0.042	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	16.4	176.8	-58.3	-176.4	0	0	0	113.5	K46 G50 V51 L69 L72 G73 A74 M224 L227	K46-L48 PolarHBondContact O-N 3.2Å; K46-L48 VanDerWaalsContact O-N 3.1Å; L48-G50 PolarHBondContact O-N 3.3Å; L48-V51 HydrophobicContact CB-CB 4.24Å; L48-V51 HydrophobicContact CB-CG2 4.24Å; L48-V51 HydrophobicContact CD2-CG2 4.13Å; L48-V51 WeakPolarHBondContact O-CB 3.5Å; L48-V51 PolarHBondContact O-N 3.49Å; L48-L69 HydrophobicContact CD1-CB 4.07Å; L48-L69 HydrophobicContact CD1-CD2 3.59Å; L48-L69 HydrophobicContact CD1-CG 4.45Å; L48-L72 HydrophobicContact CB-CB 4.38Å; L48-L72 WeakPolarHBondContact CB-O 3.28Å; L48-L72 HydrophobicContact CD1-CB 3.8Å; L48-L72 HydrophobicContact CD1-CD1 4.21Å; L48-L72 HydrophobicContact CG-CB 3.99Å; L48-L72 PolarHBondContact N-O 3.24Å; L48-L72 VanDerWaalsContact N-O 3.09Å; L48-G73 CarbonylContact O-C 3.57Å; L48-A74 HydrophobicContact CB-CB 4Å; L48-A74 HydrophobicContact CD1-CB 4.22Å; L48-M224 HydrophobicContact CD1-SD 3.84Å; L48-M224 HydrophobicContact CD2-CE 4.07Å; L48-M224 HydrophobicContact CD2-SD 3.87Å; L48-M224 HydrophobicContact CG-SD 4.31Å; L48-L227 HydrophobicContact CD2-CD1 3.89Å
49	E	93.7	Very high	83	Confident	94 Å²	94	55 Å²	55	44%	0.439	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	128.4	171.1	-173.1	175.6	143.7	0	0	110.1	R37 I45 K46 V51	R37-E49 IonicContact NH1-OE1 2.78Å; R37-E49 PolarHBondContact NH1-OE1 2.97Å; I45-E49 HydrophobicContact CG2-CB 4.29Å; K46-E49 HydrophobicContact CB-CB 4.37Å; K46-E49 WeakPolarHBondContact O-CB 3.27Å; K46-E49 PolarHBondContact O-N 3.43Å; E49-V51 VanDerWaalsContact C-N 3.35Å
50	G	94.6	Very high	85.5	Confident	70 Å²	70	47 Å²	47	72%	0.722	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.2	-9.5	-175.7	0	0	0	0	0	114.9	L48	L48-G50 PolarHBondContact O-N 3.3Å
51	V	98.1	Very high	88.1	Confident	22 Å²	22	42.8 Å²	42.8	13%	0.133	24%	0.235	C	C	.	.			trans	-81.7	127.8	172.3	178.9	0	0	0	0	109.9	L48 E49 I53 A74 E75 D134 V135 L227	L48-V51 HydrophobicContact CB-CB 4.24Å; L48-V51 HydrophobicContact CB-CG2 4.24Å; L48-V51 HydrophobicContact CD2-CG2 4.13Å; L48-V51 WeakPolarHBondContact O-CB 3.5Å; L48-V51 PolarHBondContact O-N 3.49Å; E49-V51 VanDerWaalsContact C-N 3.35Å; V51-I53 HydrophobicContact CG1-CG1 4.31Å; V51-A74 HydrophobicContact CB-CB 4.42Å; V51-A74 HydrophobicContact CG1-CB 4.49Å; V51-A74 CarbonylContact O-C 3.55Å; V51-A74 WeakPolarHBondContact O-CA 3.31Å; V51-E75 PolarHBondContact O-N 2.81Å; V51-D134 WeakPolarHBondContact CA-OD2 3.42Å; V51-D134 HydrophobicContact CG1-CB 4.03Å; V51-V135 HydrophobicContact CG1-CG2 4.42Å; V51-L227 HydrophobicContact CG1-CD1 4.24Å; V51-L227 HydrophobicContact CG1-CD2 4.04Å
52	K	98.8	Very high	90.4	Very high	62 Å²	62	38.2 Å²	38.2	27%	0.27	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	132.5	174.9	-69.9	179.8	-177.2	179.7	0	111.7	E75 C133 D134 V135	K52-E75 CarbonylContact C-O 3.54Å; K52-E75 WeakPolarHBondContact CA-O 3.45Å; K52-E75 VanDerWaalsContact CE-OE2 3.31Å; K52-E75 WeakPolarHBondContact CE-OE2 3.21Å; K52-E75 HydrophobicContact CG-CB 4.19Å; K52-C133 HydrophobicContact CB-CB 4.29Å; K52-D134 PolarHBondContact N-OD2 3.48Å; K52-D134 PolarHBondContact O-N 3.31Å; K52-V135 PolarHBondContact O-N 2.96Å
53	I	98.9	Very high	92.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	123.8	-178.5	-55.4	-176.3	0	0	0	109.1	V51 T66 L69 A74 E75 V76 I77 V135 V137	V51-I53 HydrophobicContact CG1-CG1 4.31Å; I53-T66 HydrophobicContact CG2-CG2 4.09Å; I53-L69 HydrophobicContact CD1-CB 3.55Å; I53-L69 HydrophobicContact CD1-CD1 3.54Å; I53-L69 HydrophobicContact CD1-CG 4.12Å; I53-A74 HydrophobicContact CD1-CB 3.7Å; I53-A74 HydrophobicContact CG1-CB 4.09Å; I53-E75 PolarHBondContact N-O 2.78Å; I53-V76 HydrophobicContact CB-CG2 4.29Å; I53-V76 HydrophobicContact CD1-CG2 4.28Å; I53-I77 PolarHBondContact O-N 3.1Å; I53-V135 WeakPolarHBondContact CA-O 3.3Å; I53-V135 HydrophobicContact CB-CB 4.43Å; I53-V135 HydrophobicContact CG1-CB 4.06Å; I53-V135 HydrophobicContact CG1-CG2 4.21Å; I53-V135 HydrophobicContact CG2-CB 4.21Å; I53-V135 HydrophobicContact CG2-CG1 4.42Å; I53-V137 HydrophobicContact CG2-CG2 3.95Å
54	L	98.9	Very high	94.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	107.7	169.2	-171.9	58.5	0	0	0	109	L56 I77 V79 I126 L129 A130 C133 V135 F136 V137	L54-L56 HydrophobicContact CD1-CD1 4.25Å; L54-L56 HydrophobicContact CD2-CD1 4.13Å; L54-L56 HydrophobicContact CG-CD1 3.63Å; L54-I77 HydrophobicContact CD1-CB 4.39Å; L54-I77 HydrophobicContact CD1-CG2 4.16Å; L54-V79 HydrophobicContact CD1-CG2 3.49Å; L54-V79 VanDerWaalsContact CD1-CG2 3.49Å; L54-V79 HydrophobicContact CG-CG2 4.33Å; L54-I126 HydrophobicContact CD2-CG2 4.13Å; L54-L129 HydrophobicContact CD1-CB 3.94Å; L54-L129 HydrophobicContact CD1-CD1 3.93Å; L54-L129 HydrophobicContact CD1-CG 4.49Å; L54-L129 HydrophobicContact CD2-CB 3.71Å; L54-L129 HydrophobicContact CG-CB 4.46Å; L54-A130 HydrophobicContact CD2-CB 4.18Å; L54-C133 HydrophobicContact CB-CB 4.18Å; L54-V135 PolarHBondContact N-O 3.48Å; L54-F136 HydrophobicContact CB-CD2 4.41Å; L54-F136 HydrophobicContact CD2-CD2 3.73Å; L54-F136 HydrophobicContact CD2-CE2 3.74Å; L54-F136 HydrophobicContact CG-CD2 4.31Å; L54-F136 HydrophobicContact CG-CE2 4.45Å; L54-V137 PolarHBondContact O-N 2.97Å
55	D	98.9	Very high	96.2	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	98.3	-172.2	177.7	11.9	0	0	0	110.7	T57 T66 V76 I77 K78 V79 K110	D55-T57 VanDerWaalsContact C-N 3.28Å; D55-T57 WeakPolarHBondContact OD1-CA 3.22Å; D55-T57 WeakPolarHBondContact OD1-CB 3.23Å; D55-T57 VanDerWaalsContact OD1-CG2 3.31Å; D55-T57 WeakPolarHBondContact OD1-CG2 3.29Å; D55-T57 PolarHBondContact OD1-N 2.91Å; D55-T57 PolarHBondContact OD1-OG1 3.18Å; D55-T66 HydrophobicContact CB-CG2 4.12Å; D55-T66 PolarHBondContact OD2-OG1 3.26Å; D55-V76 HydrophobicContact CB-CG1 3.75Å; D55-I77 PolarHBondContact N-O 3.05Å; D55-K78 CarbonylContact O-C 3.5Å; D55-K78 VanDerWaalsContact O-CA 3.3Å; D55-K78 WeakPolarHBondContact O-CA 3.37Å; D55-V79 PolarHBondContact O-N 3.45Å; D55-K110 IonicContact OD2-NZ 2.78Å; D55-K110 PolarHBondContact OD2-NZ 2.93Å
56	L	98.8	Very high	97	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	14%	0.137	C	C	.	.			trans	-92.1	11.1	172.3	-79.4	72.3	0	0	0	111.8	L54 V79 I126 F136 V137 E138 Y140 L145	L54-L56 HydrophobicContact CD1-CD1 4.25Å; L54-L56 HydrophobicContact CD2-CD1 4.13Å; L54-L56 HydrophobicContact CG-CD1 3.63Å; L56-V79 HydrophobicContact CD1-CB 4.09Å; L56-V79 HydrophobicContact CD1-CG2 3.75Å; L56-V79 HydrophobicContact CG-CB 3.94Å; L56-V79 HydrophobicContact CG-CG1 4.3Å; L56-V79 HydrophobicContact CG-CG2 4.16Å; L56-I126 HydrophobicContact CD1-CG2 4.45Å; L56-I126 HydrophobicContact CD2-CG2 4.24Å; L56-F136 HydrophobicContact CD1-CE1 4.21Å; L56-F136 HydrophobicContact CD1-CE2 4.02Å; L56-F136 HydrophobicContact CD1-CZ 3.77Å; L56-F136 HydrophobicContact CD2-CE1 4.15Å; L56-F136 HydrophobicContact CD2-CE2 4.48Å; L56-F136 HydrophobicContact CD2-CZ 3.62Å; L56-F136 HydrophobicContact CG-CZ 4.28Å; L56-V137 PolarHBondContact N-O 2.84Å; L56-E138 HydrophobicContact CB-CB 4.06Å; L56-Y140 HydrophobicContact CB-CE2 4.25Å; L56-L145 HydrophobicContact CD2-CD1 4.28Å
57	T	98.6	Very high	97.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.127	C	C	.	.			trans	-80.2	154.3	-173.6	73	0	0	0	0	112.3	D55 P63 K78 V137 N139	D55-T57 VanDerWaalsContact C-N 3.28Å; D55-T57 WeakPolarHBondContact OD1-CA 3.22Å; D55-T57 WeakPolarHBondContact OD1-CB 3.23Å; D55-T57 VanDerWaalsContact OD1-CG2 3.31Å; D55-T57 WeakPolarHBondContact OD1-CG2 3.29Å; D55-T57 PolarHBondContact OD1-N 2.91Å; D55-T57 PolarHBondContact OD1-OG1 3.18Å; T57-P63 WeakPolarHBondContact OG1-CD 3.46Å; T57-P63 WeakPolarHBondContact OG1-CG 3.39Å; T57-P63 VanDerWaalsContact OG1-N 3.07Å; T57-K78 PolarHBondContact O-NZ 3.07Å; T57-V137 HydrophobicContact CG2-CB 3.92Å; T57-V137 HydrophobicContact CG2-CG1 3.47Å; T57-V137 VanDerWaalsContact CG2-CG1 3.47Å; T57-N139 VanDerWaalsContact CA-OD1 3.27Å; T57-N139 WeakPolarHBondContact CA-OD1 3.43Å
58	R	96.6	Very high	97.8	Very high	59 Å²	59	20.3 Å²	20.3	22%	0.223	11%	0.114	C	C	.	.			trans	-127.1	162.7	177.6	-68.2	162.3	62.3	-179.8	-3.2	111.7	L60 P63 R81 D86 D87 N139	R58-L60 PolarHBondContact O-N 3.07Å; R58-P63 WeakPolarHBondContact O-CD 3.19Å; R58-R81 VanDerWaalsContact NH2-CZ 3.27Å; R58-R81 VanDerWaalsContact NH2-NH2 3.14Å; R58-D86 WeakPolarHBondContact CA-OD2 3.46Å; R58-D87 IonicContact CZ-OD1 3.13Å; R58-D87 IonicContact CZ-OD2 3.01Å; R58-D87 IonicContact NE-OD2 2.66Å; R58-D87 PolarHBondContact NE-OD2 3.38Å; R58-D87 IonicContact NH2-OD1 3.46Å; R58-D87 PolarHBondContact NH2-OD1 3.26Å; R58-D87 IonicContact NH2-OD2 3.08Å; R58-D87 PolarHBondContact NH2-OD2 3.34Å; R58-N139 PolarHBondContact N-OD1 3.25Å; R58-N139 PolarHBondContact O-ND2 3.35Å
59	I	96.9	Very high	97.9	Very high	23 Å²	23	19.9 Å²	19.9	12%	0.118	11%	0.112	C	C	.	.	S	Bend	trans	72.2	-102.5	171.8	-54.8	150.6	0	0	0	112.7	D86 D87 T88 W91 Y182	I59-D86 PolarHBondContact N-OD1 3.34Å; I59-D86 VanDerWaalsContact N-OD1 3.07Å; I59-D86 PolarHBondContact N-OD2 3.24Å; I59-D87 HydrophobicContact CG1-CB 4.43Å; I59-T88 HydrophobicContact CG2-CG2 4.47Å; I59-T88 WeakPolarHBondContact O-CG2 3.1Å; I59-W91 HydrophobicContact CD1-CH2 4.43Å; I59-W91 HydrophobicContact CG1-CH2 4.03Å; I59-W91 HydrophobicContact CG1-CZ2 4.38Å; I59-W91 HydrophobicContact CG2-CH2 3.7Å; I59-W91 HydrophobicContact CG2-CZ3 3.68Å; I59-Y182 HydrophobicContact CD1-CE1 3.74Å
60	L	98.1	Very high	98	Very high	7 Å²	7	15.6 Å²	15.6	4%	0.037	9%	0.092	C	C	.	.	S	Bend	trans	-134.8	-60.8	-167.1	-176.3	58.7	0	0	0	115	R58 G62 P63 F64 Y102 V106 A209 D212 L213	R58-L60 PolarHBondContact O-N 3.07Å; L60-G62 PolarHBondContact O-N 3.45Å; L60-P63 WeakPolarHBondContact O-CD 3.16Å; L60-F64 HydrophobicContact CD1-CB 4.38Å; L60-F64 WeakPolarHBondContact O-CB 3.4Å; L60-F64 PolarHBondContact O-N 3.37Å; L60-Y102 HydrophobicContact CB-CE1 4.38Å; L60-Y102 HydrophobicContact CD1-CE1 4.18Å; L60-Y102 VanDerWaalsContact CD2-OH 3.31Å; L60-Y102 WeakPolarHBondContact CD2-OH 3.46Å; L60-V106 HydrophobicContact CD1-CB 4.4Å; L60-V106 HydrophobicContact CD1-CG1 3.62Å; L60-A209 HydrophobicContact CD2-CB 3.47Å; L60-A209 VanDerWaalsContact CD2-CB 3.47Å; L60-D212 HydrophobicContact CB-CB 3.97Å; L60-D212 HydrophobicContact CD2-CB 3.62Å; L60-D212 HydrophobicContact CG-CB 3.79Å; L60-L213 HydrophobicContact CD1-CD2 4.15Å; L60-L213 HydrophobicContact CD2-CD2 4.29Å; L60-L213 HydrophobicContact CD2-CG 4.36Å; L60-L213 HydrophobicContact CG-CD2 4.38Å
61	A	98.6	Very high	98.1	Very high	4 Å²	4	12.4 Å²	12.4	3%	0.033	6%	0.059	C	C	.	.	H	α-helix	trans	-55.9	-52.3	-171	0	0	0	0	0	113.2	A65 I167 D212 T215 G216 L243	A61-A65 PolarHBondContact O-N 3.31Å; A61-A65 VanDerWaalsContact O-N 3.13Å; A61-I167 HydrophobicContact CB-CG2 4.14Å; A61-D212 WeakPolarHBondContact CA-O 3.49Å; A61-D212 HydrophobicContact CB-CB 4.06Å; A61-D212 VanDerWaalsContact CB-O 3.3Å; A61-D212 WeakPolarHBondContact CB-O 3.4Å; A61-T215 HydrophobicContact CB-CG2 4.35Å; A61-G216 WeakPolarHBondContact O-CA 3.31Å; A61-L243 HydrophobicContact CB-CD2 4.4Å
62	G	98.6	Very high	97.9	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-65.6	-51.1	175.8	0	0	0	0	0	113.3	L60 F64 A65 T66	L60-G62 PolarHBondContact O-N 3.45Å; G62-F64 VanDerWaalsContact C-N 3.26Å; G62-F64 PolarHBondContact O-N 3.26Å; G62-A65 WeakPolarHBondContact O-CB 3.47Å; G62-A65 PolarHBondContact O-N 2.97Å; G62-A65 VanDerWaalsContact O-N 3.1Å; G62-T66 PolarHBondContact O-N 3.34Å; G62-T66 PolarHBondContact O-OG1 2.73Å
63	P	98.7	Very high	97.7	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-58.4	-37	178.7	-31.5	38.8	0	0	0	113.8	T57 R58 L60 T66 M67 V106 K110	T57-P63 WeakPolarHBondContact OG1-CD 3.46Å; T57-P63 WeakPolarHBondContact OG1-CG 3.39Å; T57-P63 VanDerWaalsContact OG1-N 3.07Å; R58-P63 WeakPolarHBondContact O-CD 3.19Å; L60-P63 WeakPolarHBondContact O-CD 3.16Å; P63-T66 PolarHBondContact O-OG1 2.7Å; P63-M67 WeakPolarHBondContact O-CB 3.47Å; P63-M67 PolarHBondContact O-N 2.89Å; P63-V106 HydrophobicContact CB-CG2 4.23Å; P63-K110 VanDerWaalsContact CA-NZ 3.28Å; P63-K110 PolarHBondContact O-NZ 2.81Å
64	F	98.7	Very high	97.6	Very high	42 Å²	42	9.6 Å²	9.6	18%	0.184	5%	0.05	C	C	.	.	H	α-helix	trans	-65.5	-44.7	175.6	-170.9	-107.5	0	0	0	111.3	L60 G62 M67 N68 V106 L213 L217	L60-F64 HydrophobicContact CD1-CB 4.38Å; L60-F64 WeakPolarHBondContact O-CB 3.4Å; L60-F64 PolarHBondContact O-N 3.37Å; G62-F64 VanDerWaalsContact C-N 3.26Å; G62-F64 PolarHBondContact O-N 3.26Å; F64-M67 HydrophobicContact CD2-CE 3.74Å; F64-M67 HydrophobicContact CE2-CE 4Å; F64-N68 PolarHBondContact O-N 2.98Å; F64-N68 VanDerWaalsContact O-N 3.1Å; F64-N68 PolarHBondContact O-ND2 3.16Å; F64-V106 HydrophobicContact CD2-CG1 4.43Å; F64-L213 HydrophobicContact CD1-CD2 3.95Å; F64-L213 HydrophobicContact CD2-CD2 3.81Å; F64-L213 HydrophobicContact CE1-CD2 4.01Å; F64-L213 HydrophobicContact CE2-CD2 3.88Å; F64-L213 HydrophobicContact CG-CD2 3.86Å; F64-L213 HydrophobicContact CZ-CD2 3.98Å; F64-L217 HydrophobicContact CE1-CD2 3.89Å; F64-L217 HydrophobicContact CE1-CG 4.04Å
65	A	98.8	Very high	97.6	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-59.4	-51.3	176.1	0	0	0	0	0	111.7	A61 G62 M67 N68 L69 G216 A219	A61-A65 PolarHBondContact O-N 3.31Å; A61-A65 VanDerWaalsContact O-N 3.13Å; G62-A65 WeakPolarHBondContact O-CB 3.47Å; G62-A65 PolarHBondContact O-N 2.97Å; G62-A65 VanDerWaalsContact O-N 3.1Å; A65-M67 PolarHBondContact O-N 3.07Å; A65-N68 PolarHBondContact O-N 3.4Å; A65-L69 WeakPolarHBondContact O-CG 3.45Å; A65-L69 PolarHBondContact O-N 3.11Å; A65-L69 VanDerWaalsContact O-N 3.12Å; A65-G216 VanDerWaalsContact CB-O 3.29Å; A65-G216 WeakPolarHBondContact CB-O 3.19Å; A65-A219 HydrophobicContact CB-CB 4.1Å
66	T	98.8	Very high	97.6	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-70.7	-32.3	-177.1	59.9	0	0	0	0	112.5	I53 D55 G62 P63 L69 G70 V76 K110 V137	I53-T66 HydrophobicContact CG2-CG2 4.09Å; D55-T66 HydrophobicContact CB-CG2 4.12Å; D55-T66 PolarHBondContact OD2-OG1 3.26Å; G62-T66 PolarHBondContact O-N 3.34Å; G62-T66 PolarHBondContact O-OG1 2.73Å; P63-T66 PolarHBondContact O-OG1 2.7Å; T66-L69 PolarHBondContact O-N 3.42Å; T66-G70 PolarHBondContact O-N 3.23Å; T66-V76 WeakPolarHBondContact O-CG2 3.27Å; T66-K110 VanDerWaalsContact OG1-CE 3.28Å; T66-K110 WeakPolarHBondContact OG1-CE 3.3Å; T66-K110 PolarHBondContact OG1-NZ 2.55Å; T66-V137 HydrophobicContact CG2-CB 4.06Å; T66-V137 HydrophobicContact CG2-CG1 4.26Å; T66-V137 HydrophobicContact CG2-CG2 3.89Å
67	M	98.1	Very high	97.6	Very high	2 Å²	2	11.8 Å²	11.8	1%	0.01	6%	0.06	C	C	.	.	H	α-helix	trans	-61.5	-46.5	171.7	179.5	-176.5	68.8	0	0	111.6	P63 F64 A65 L69 G70 D71 V106 R108	P63-M67 WeakPolarHBondContact O-CB 3.47Å; P63-M67 PolarHBondContact O-N 2.89Å; F64-M67 HydrophobicContact CD2-CE 3.74Å; F64-M67 HydrophobicContact CE2-CE 4Å; A65-M67 PolarHBondContact O-N 3.07Å; M67-L69 VanDerWaalsContact C-N 3.3Å; M67-L69 PolarHBondContact O-N 3.34Å; M67-G70 CarbonylContact O-C 3.6Å; M67-G70 WeakPolarHBondContact O-CA 3.26Å; M67-G70 PolarHBondContact O-N 3.2Å; M67-G70 VanDerWaalsContact O-N 3.09Å; M67-D71 VanDerWaalsContact O-CG 3.31Å; M67-D71 PolarHBondContact O-N 3.32Å; M67-V106 WeakPolarHBondContact SD-CA 3.35Å; M67-R108 HydrophobicContact CG-CG 3.63Å; M67-R108 HydrophobicContact SD-CG 3.63Å; M67-R108 VanDerWaalsContact SD-CZ 3.55Å
68	N	97.4	Very high	97.6	Very high	32 Å²	32	11.8 Å²	11.8	17%	0.171	6%	0.061	C	C	.	.	H	α-helix	trans	-63.8	-34.5	177.5	-79	-83.2	0	0	0	112.1	F64 A65 L72 Y220	F64-N68 PolarHBondContact O-N 2.98Å; F64-N68 VanDerWaalsContact O-N 3.1Å; F64-N68 PolarHBondContact O-ND2 3.16Å; A65-N68 PolarHBondContact O-N 3.4Å; N68-L72 PolarHBondContact O-N 2.82Å; N68-Y220 HydrophobicContact CB-CD2 3.84Å; N68-Y220 HydrophobicContact CB-CE2 4.06Å
69	L	97.6	Very high	97.7	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-68	-38.4	171.4	-65	167.7	0	0	0	111.8	L48 I53 A65 T66 M67 D71 L72 G73 A74 Y220 I223 M224	L48-L69 HydrophobicContact CD1-CB 4.07Å; L48-L69 HydrophobicContact CD1-CD2 3.59Å; L48-L69 HydrophobicContact CD1-CG 4.45Å; I53-L69 HydrophobicContact CD1-CB 3.55Å; I53-L69 HydrophobicContact CD1-CD1 3.54Å; I53-L69 HydrophobicContact CD1-CG 4.12Å; A65-L69 WeakPolarHBondContact O-CG 3.45Å; A65-L69 PolarHBondContact O-N 3.11Å; A65-L69 VanDerWaalsContact O-N 3.12Å; T66-L69 PolarHBondContact O-N 3.42Å; M67-L69 VanDerWaalsContact C-N 3.3Å; M67-L69 PolarHBondContact O-N 3.34Å; L69-D71 VanDerWaalsContact C-N 3.35Å; L69-L72 CarbonylContact O-C 3.47Å; L69-L72 WeakPolarHBondContact O-CB 3.44Å; L69-L72 PolarHBondContact O-N 3.19Å; L69-L72 VanDerWaalsContact O-N 3.17Å; L69-G73 PolarHBondContact O-N 2.87Å; L69-A74 HydrophobicContact CB-CB 4.36Å; L69-A74 VanDerWaalsContact O-CB 3.31Å; L69-A74 WeakPolarHBondContact O-CB 3.33Å; L69-A74 PolarHBondContact O-N 3.03Å; L69-Y220 HydrophobicContact CD2-CD2 3.56Å; L69-Y220 HydrophobicContact CD2-CE2 3.63Å; L69-Y220 HydrophobicContact CG-CD2 3.75Å; L69-Y220 HydrophobicContact CG-CE2 4.15Å; L69-I223 HydrophobicContact CD1-CB 4.21Å; L69-I223 HydrophobicContact CD1-CD1 3.87Å; L69-I223 HydrophobicContact CD1-CG2 3.74Å; L69-I223 HydrophobicContact CD2-CG2 4.45Å; L69-M224 HydrophobicContact CD2-CG 4.06Å; L69-M224 HydrophobicContact CD2-SD 3.66Å
70	G	96.6	Very high	97.8	Very high	3 Å²	3	8.9 Å²	8.9	3%	0.031	5%	0.05	C	C	.	.	H	α-helix	trans	-63.6	-39	174.5	0	0	0	0	0	112.8	T66 M67 L72 G73	T66-G70 PolarHBondContact O-N 3.23Å; M67-G70 CarbonylContact O-C 3.6Å; M67-G70 WeakPolarHBondContact O-CA 3.26Å; M67-G70 PolarHBondContact O-N 3.2Å; M67-G70 VanDerWaalsContact O-N 3.09Å; G70-L72 PolarHBondContact O-N 3.48Å; G70-G73 PolarHBondContact O-N 2.9Å
71	D	94.9	Very high	97.7	Very high	4 Å²	4	12.7 Å²	12.7	2%	0.021	6%	0.064	C	C	.	.	H	α-helix	trans	-58	-37	173.2	-70.7	-14.3	0	0	0	110.9	M67 L69 G73 R108 N109 M402	M67-D71 VanDerWaalsContact O-CG 3.31Å; M67-D71 PolarHBondContact O-N 3.32Å; L69-D71 VanDerWaalsContact C-N 3.35Å; D71-G73 PolarHBondContact O-N 3.11Å; D71-R108 IonicContact OD1-CZ 2.74Å; D71-R108 IonicContact OD1-NE 3.69Å; D71-R108 PolarHBondContact OD1-NE 3.4Å; D71-R108 IonicContact OD2-CZ 3.46Å; D71-R108 IonicContact OD2-NE 3.3Å; D71-R108 PolarHBondContact OD2-NE 3Å; D71-R108 VanDerWaalsContact OD2-NE 3.13Å; D71-R108 IonicContact OD2-NH2 3.44Å; D71-R108 PolarHBondContact OD2-NH2 2.86Å; D71-N109 PolarHBondContact OD1-ND2 3.22Å; D71-M402 HydrophobicContact CB-CE 3.37Å; D71-M402 WeakPolarHBondContact O-CE 3.42Å
72	L	95.2	Very high	97.7	Very high	6 Å²	6	14.4 Å²	14.4	3%	0.031	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	5.3	174.6	-71.7	-171.2	0	0	0	115	K46 P47 L48 N68 L69 G70 Y220 M224 Y397 F400 M402	K46-L72 WeakPolarHBondContact CB-O 3.25Å; P47-L72 HydrophobicContact CG-CB 4.18Å; P47-L72 HydrophobicContact CG-CD1 4.45Å; P47-L72 HydrophobicContact CG-CD2 4Å; P47-L72 HydrophobicContact CG-CG 4.46Å; L48-L72 HydrophobicContact CB-CB 4.38Å; L48-L72 WeakPolarHBondContact CB-O 3.28Å; L48-L72 HydrophobicContact CD1-CB 3.8Å; L48-L72 HydrophobicContact CD1-CD1 4.21Å; L48-L72 HydrophobicContact CG-CB 3.99Å; L48-L72 PolarHBondContact N-O 3.24Å; L48-L72 VanDerWaalsContact N-O 3.09Å; N68-L72 PolarHBondContact O-N 2.82Å; L69-L72 CarbonylContact O-C 3.47Å; L69-L72 WeakPolarHBondContact O-CB 3.44Å; L69-L72 PolarHBondContact O-N 3.19Å; L69-L72 VanDerWaalsContact O-N 3.17Å; G70-L72 PolarHBondContact O-N 3.48Å; L72-Y220 HydrophobicContact CD1-CE2 4.02Å; L72-Y220 WeakPolarHBondContact CD1-OH 3.41Å; L72-M224 HydrophobicContact CD1-CE 4.43Å; L72-Y397 HydrophobicContact CD2-CE2 3.86Å; L72-F400 HydrophobicContact CD2-CE2 3.99Å; L72-F400 HydrophobicContact CD2-CZ 3.94Å; L72-M402 HydrophobicContact CD2-CE 3.99Å; L72-M402 HydrophobicContact CD2-SD 4.12Å
73	G	94.6	Very high	97.4	Very high	17 Å²	17	17.9 Å²	17.9	18%	0.175	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	102.8	1.4	173.1	0	0	0	0	0	116.1	L48 L69 G70 D71	L48-G73 CarbonylContact O-C 3.57Å; L69-G73 PolarHBondContact O-N 2.87Å; G70-G73 PolarHBondContact O-N 2.9Å; D71-G73 PolarHBondContact O-N 3.11Å
74	A	97.1	Very high	97.1	Very high	2 Å²	2	21.6 Å²	21.6	2%	0.017	13%	0.133	C	C	.	.			trans	-65.7	141.7	175.3	0	0	0	0	0	111.1	L48 V51 I53 L69 V76	L48-A74 HydrophobicContact CB-CB 4Å; L48-A74 HydrophobicContact CD1-CB 4.22Å; V51-A74 HydrophobicContact CB-CB 4.42Å; V51-A74 HydrophobicContact CG1-CB 4.49Å; V51-A74 CarbonylContact O-C 3.55Å; V51-A74 WeakPolarHBondContact O-CA 3.31Å; I53-A74 HydrophobicContact CD1-CB 3.7Å; I53-A74 HydrophobicContact CG1-CB 4.09Å; L69-A74 HydrophobicContact CB-CB 4.36Å; L69-A74 VanDerWaalsContact O-CB 3.31Å; L69-A74 WeakPolarHBondContact O-CB 3.33Å; L69-A74 PolarHBondContact O-N 3.03Å; A74-V76 HydrophobicContact CB-CG2 4.44Å; A74-V76 PolarHBondContact O-N 3.34Å
75	E	97.9	Very high	97	Very high	45 Å²	45	19.7 Å²	19.7	21%	0.21	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	106.8	168.5	-179.5	175.5	-160.9	0	0	109.1	V51 K52 I53 K111	V51-E75 PolarHBondContact O-N 2.81Å; K52-E75 CarbonylContact C-O 3.54Å; K52-E75 WeakPolarHBondContact CA-O 3.45Å; K52-E75 VanDerWaalsContact CE-OE2 3.31Å; K52-E75 WeakPolarHBondContact CE-OE2 3.21Å; K52-E75 HydrophobicContact CG-CB 4.19Å; I53-E75 PolarHBondContact N-O 2.78Å; E75-K111 WeakPolarHBondContact OE1-CE 3.32Å; E75-K111 IonicContact OE1-NZ 3.09Å; E75-K111 PolarHBondContact OE1-NZ 3.39Å
76	V	98.8	Very high	97	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.006	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	119.6	-178.9	-174	0	0	0	0	110.2	I53 D55 T66 A74 K110 K111	I53-V76 HydrophobicContact CB-CG2 4.29Å; I53-V76 HydrophobicContact CD1-CG2 4.28Å; D55-V76 HydrophobicContact CB-CG1 3.75Å; T66-V76 WeakPolarHBondContact O-CG2 3.27Å; A74-V76 HydrophobicContact CB-CG2 4.44Å; A74-V76 PolarHBondContact O-N 3.34Å; V76-K110 HydrophobicContact CB-CB 4.38Å; V76-K110 HydrophobicContact CB-CG 3.98Å; V76-K110 HydrophobicContact CG1-CB 4.37Å; V76-K110 HydrophobicContact CG1-CD 3.97Å; V76-K110 HydrophobicContact CG1-CG 3.8Å; V76-K111 PolarHBondContact O-N 3.14Å
77	I	98.9	Very high	96.9	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	101.5	174.5	-62.5	171.2	0	0	0	108	I53 L54 D55 I113 L129 I418	I53-I77 PolarHBondContact O-N 3.1Å; L54-I77 HydrophobicContact CD1-CB 4.39Å; L54-I77 HydrophobicContact CD1-CG2 4.16Å; D55-I77 PolarHBondContact N-O 3.05Å; I77-I113 HydrophobicContact CG2-CG2 3.66Å; I77-L129 HydrophobicContact CD1-CD2 4.41Å; I77-I418 HydrophobicContact CD1-CG2 4.45Å; I77-I418 HydrophobicContact CG1-CD1 4.36Å; I77-I418 HydrophobicContact CG2-CD1 3.73Å; I77-I418 HydrophobicContact CG2-CG2 4.49Å
78	K	98.9	Very high	96.8	Very high	1 Å²	1	21 Å²	21	0%	0.004	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	121.7	175.8	-168.6	-179.1	173.4	68.2	0	110.3	D55 T57 E80 D86 K110 K111 S112 I113	D55-K78 CarbonylContact O-C 3.5Å; D55-K78 VanDerWaalsContact O-CA 3.3Å; D55-K78 WeakPolarHBondContact O-CA 3.37Å; T57-K78 PolarHBondContact O-NZ 3.07Å; K78-E80 HydrophobicContact CD-CG 4.07Å; K78-E80 HydrophobicContact CG-CG 3.92Å; K78-D86 WeakPolarHBondContact CE-OD2 3.42Å; K78-D86 IonicContact NZ-OD2 3.17Å; K78-D86 PolarHBondContact NZ-OD2 3.32Å; K78-K110 HydrophobicContact CB-CD 4.26Å; K78-K110 HydrophobicContact CD-CD 4.21Å; K78-K111 WeakPolarHBondContact CB-O 3.49Å; K78-K111 PolarHBondContact N-O 2.74Å; K78-S112 WeakPolarHBondContact O-CA 3.42Å; K78-I113 PolarHBondContact O-N 3.46Å
79	V	98.8	Very high	96.8	Very high	13 Å²	13	20.5 Å²	20.5	8%	0.079	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	125.8	175.1	179.2	0	0	0	0	108.8	L54 D55 L56 I113 V115 I117 I126	L54-V79 HydrophobicContact CD1-CG2 3.49Å; L54-V79 VanDerWaalsContact CD1-CG2 3.49Å; L54-V79 HydrophobicContact CG-CG2 4.33Å; D55-V79 PolarHBondContact O-N 3.45Å; L56-V79 HydrophobicContact CD1-CB 4.09Å; L56-V79 HydrophobicContact CD1-CG2 3.75Å; L56-V79 HydrophobicContact CG-CB 3.94Å; L56-V79 HydrophobicContact CG-CG1 4.3Å; L56-V79 HydrophobicContact CG-CG2 4.16Å; V79-I113 WeakPolarHBondContact CA-O 3.15Å; V79-I113 HydrophobicContact CG2-CG2 4.02Å; V79-V115 HydrophobicContact CG1-CB 4.32Å; V79-I117 HydrophobicContact CG1-CG2 4.38Å; V79-I126 HydrophobicContact CB-CD1 4.41Å; V79-I126 HydrophobicContact CG1-CD1 3.66Å; V79-I126 HydrophobicContact CG2-CD1 3.85Å
80	E	98.4	Very high	96.8	Very high	7 Å²	7	25 Å²	25	3%	0.033	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	156.3	-173.6	-68.1	-164.6	90.5	0	0	112	K78 D86 R89 S112 I113 A114 V115 L411	K78-E80 HydrophobicContact CD-CG 4.07Å; K78-E80 HydrophobicContact CG-CG 3.92Å; E80-D86 PolarHBondContact OE1-N 2.85Å; E80-D86 VanDerWaalsContact OE1-N 3.1Å; E80-R89 IonicContact OE1-CZ 3.32Å; E80-R89 IonicContact OE1-NE 2.8Å; E80-R89 PolarHBondContact OE1-NE 2.65Å; E80-R89 IonicContact OE1-NH2 3.64Å; E80-R89 PolarHBondContact OE1-NH2 2.99Å; E80-R89 IonicContact OE2-CZ 3.84Å; E80-R89 IonicContact OE2-NE 3.81Å; E80-R89 IonicContact OE2-NH2 3.99Å; E80-R89 PolarHBondContact OE2-NH2 3.05Å; E80-S112 WeakPolarHBondContact OE2-CB 3.26Å; E80-S112 PolarHBondContact OE2-OG 3.3Å; E80-I113 PolarHBondContact N-O 3.1Å; E80-A114 CarbonylContact O-C 3.55Å; E80-A114 VanDerWaalsContact O-CA 3.27Å; E80-A114 WeakPolarHBondContact O-CA 3.42Å; E80-V115 PolarHBondContact O-N 2.86Å; E80-L411 HydrophobicContact CB-CD1 3.48Å; E80-L411 VanDerWaalsContact CB-CD1 3.48Å; E80-L411 HydrophobicContact CG-CD1 4.26Å
81	R	97.5	Very high	96.7	Very high	87 Å²	87	29.2 Å²	29.2	33%	0.328	17%	0.17	S	C	.	.			trans	-72.9	130.9	175.7	-65.6	176.2	-67.5	-176	-5.3	109.8	R58 G83 V84 G85 D87	R58-R81 VanDerWaalsContact NH2-CZ 3.27Å; R58-R81 VanDerWaalsContact NH2-NH2 3.14Å; R81-G83 PolarHBondContact O-N 3.18Å; R81-V84 PolarHBondContact O-N 3.02Å; R81-G85 PolarHBondContact NE-O 2.79Å; R81-G85 PolarHBondContact NH2-O 2.97Å; R81-G85 WeakPolarHBondContact O-CA 3.22Å; R81-G85 PolarHBondContact O-N 3.37Å; R81-D87 IonicContact CZ-OD1 3.33Å; R81-D87 IonicContact NH1-OD1 3.93Å; R81-D87 IonicContact NH2-OD1 2.62Å; R81-D87 PolarHBondContact NH2-OD1 3.12Å; R81-D87 IonicContact NH2-OD2 2.66Å
82	P	96.9	Very high	96.4	Very high	41 Å²	41	30.9 Å²	30.9	27%	0.266	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	136.4	170.7	-29.3	37.3	0	0	0	112.1	V84 A114 V115 N116 A440	P82-V84 PolarHBondContact O-N 3.18Å; P82-A114 HydrophobicContact CG-CB 4.33Å; P82-V115 VanDerWaalsContact CD-C 3.46Å; P82-V115 WeakPolarHBondContact CD-O 3.44Å; P82-N116 HydrophobicContact CG-CB 4.17Å; P82-A440 HydrophobicContact CB-CB 4Å
83	G	93.1	Very high	96.1	Very high	72 Å²	72	36.3 Å²	36.3	74%	0.742	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.9	-36.3	178.8	0	0	0	0	0	116.4	R81	R81-G83 PolarHBondContact O-N 3.18Å
84	V	93.1	Very high	96.1	Very high	79 Å²	79	39.5 Å²	39.5	48%	0.479	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.7	-39.7	-172.2	-174.3	0	0	0	0	113.3	R81 P82	R81-V84 PolarHBondContact O-N 3.02Å; P82-V84 PolarHBondContact O-N 3.18Å
85	G	96.6	Very high	96.1	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.01	26%	0.26	C	S	.	.			trans	68.7	-152.4	-177.7	0	0	0	0	0	115.9	R81	R81-G85 PolarHBondContact NE-O 2.79Å; R81-G85 PolarHBondContact NH2-O 2.97Å; R81-G85 WeakPolarHBondContact O-CA 3.22Å; R81-G85 PolarHBondContact O-N 3.37Å
86	D	97.6	Very high	95.9	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	27%	0.265	C	S	.	.	S	Bend	trans	-62.2	141.1	168	-165.9	-49.3	0	0	0	111.1	R58 I59 K78 E80 T88 R89 Y103	R58-D86 WeakPolarHBondContact CA-OD2 3.46Å; I59-D86 PolarHBondContact N-OD1 3.34Å; I59-D86 VanDerWaalsContact N-OD1 3.07Å; I59-D86 PolarHBondContact N-OD2 3.24Å; K78-D86 WeakPolarHBondContact CE-OD2 3.42Å; K78-D86 IonicContact NZ-OD2 3.17Å; K78-D86 PolarHBondContact NZ-OD2 3.32Å; E80-D86 PolarHBondContact OE1-N 2.85Å; E80-D86 VanDerWaalsContact OE1-N 3.1Å; D86-T88 VanDerWaalsContact CG-OG1 3.26Å; D86-T88 PolarHBondContact O-N 3.44Å; D86-T88 PolarHBondContact OD1-N 3.32Å; D86-T88 PolarHBondContact OD1-OG1 2.72Å; D86-R89 HydrophobicContact CB-CG 4.43Å; D86-R89 WeakPolarHBondContact O-CB 3.4Å; D86-R89 WeakPolarHBondContact O-CG 3.37Å; D86-R89 PolarHBondContact O-N 3.28Å; D86-R89 VanDerWaalsContact O-N 3.11Å; D86-Y103 HydrophobicContact CB-CD2 4.3Å; D86-Y103 HydrophobicContact CB-CE2 4.19Å
87	D	96.7	Very high	95.6	Very high	29 Å²	29	47.5 Å²	47.5	16%	0.155	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-61.7	-29.8	-179.6	-49.9	-77.1	0	0	0	112.5	R58 I59 R81 R89 T90 W91	R58-D87 IonicContact CZ-OD1 3.13Å; R58-D87 IonicContact CZ-OD2 3.01Å; R58-D87 IonicContact NE-OD2 2.66Å; R58-D87 PolarHBondContact NE-OD2 3.38Å; R58-D87 IonicContact NH2-OD1 3.46Å; R58-D87 PolarHBondContact NH2-OD1 3.26Å; R58-D87 IonicContact NH2-OD2 3.08Å; R58-D87 PolarHBondContact NH2-OD2 3.34Å; I59-D87 HydrophobicContact CG1-CB 4.43Å; R81-D87 IonicContact CZ-OD1 3.33Å; R81-D87 IonicContact NH1-OD1 3.93Å; R81-D87 IonicContact NH2-OD1 2.62Å; R81-D87 PolarHBondContact NH2-OD1 3.12Å; R81-D87 IonicContact NH2-OD2 2.66Å; D87-R89 PolarHBondContact O-N 3.02Å; D87-R89 VanDerWaalsContact O-N 3.14Å; D87-T90 PolarHBondContact O-N 3.48Å; D87-T90 VanDerWaalsContact O-N 3.1Å; D87-T90 PolarHBondContact O-OG1 3Å; D87-W91 HydrophobicContact CB-CZ2 4.27Å; D87-W91 PolarHBondContact O-N 2.93Å
88	T	97.3	Very high	95.2	Very high	0 Å²	0	53 Å²	53	0%	0	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-64.8	-17.4	178.6	50.5	0	0	0	0	113.5	I59 D86 T90 W91 S100 Y102	I59-T88 HydrophobicContact CG2-CG2 4.47Å; I59-T88 WeakPolarHBondContact O-CG2 3.1Å; D86-T88 VanDerWaalsContact CG-OG1 3.26Å; D86-T88 PolarHBondContact O-N 3.44Å; D86-T88 PolarHBondContact OD1-N 3.32Å; D86-T88 PolarHBondContact OD1-OG1 2.72Å; T88-T90 PolarHBondContact O-N 3.32Å; T88-W91 HydrophobicContact CG2-CD2 4.46Å; T88-W91 HydrophobicContact CG2-CE3 4.02Å; T88-W91 HydrophobicContact CG2-CZ3 4.42Å; T88-W91 PolarHBondContact O-N 3.47Å; T88-S100 WeakPolarHBondContact O-CB 3.3Å; T88-S100 PolarHBondContact O-OG 3.39Å; T88-S100 VanDerWaalsContact O-OG 3.05Å; T88-Y102 HydrophobicContact CG2-CD1 3.44Å; T88-Y102 VanDerWaalsContact CG2-CD1 3.44Å; T88-Y102 HydrophobicContact CG2-CE1 3.62Å; T88-Y102 HydrophobicContact CG2-CG 4.1Å
89	R	97.3	Very high	95.1	Very high	22 Å²	22	53.8 Å²	53.8	8%	0.083	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-60.4	-31.3	173.1	-67.6	-175.6	173.9	-78.7	5.5	112.2	E80 D86 D87 E99 S100 Y103 P409	E80-R89 IonicContact OE1-CZ 3.32Å; E80-R89 IonicContact OE1-NE 2.8Å; E80-R89 PolarHBondContact OE1-NE 2.65Å; E80-R89 IonicContact OE1-NH2 3.64Å; E80-R89 PolarHBondContact OE1-NH2 2.99Å; E80-R89 IonicContact OE2-CZ 3.84Å; E80-R89 IonicContact OE2-NE 3.81Å; E80-R89 IonicContact OE2-NH2 3.99Å; E80-R89 PolarHBondContact OE2-NH2 3.05Å; D86-R89 HydrophobicContact CB-CG 4.43Å; D86-R89 WeakPolarHBondContact O-CB 3.4Å; D86-R89 WeakPolarHBondContact O-CG 3.37Å; D86-R89 PolarHBondContact O-N 3.28Å; D86-R89 VanDerWaalsContact O-N 3.11Å; D87-R89 PolarHBondContact O-N 3.02Å; D87-R89 VanDerWaalsContact O-N 3.14Å; R89-E99 IonicContact NH1-OE2 2.89Å; R89-S100 WeakPolarHBondContact O-CB 3.48Å; R89-Y103 HydrophobicContact CG-CD1 4.42Å; R89-Y103 HydrophobicContact CG-CD2 3.44Å; R89-Y103 VanDerWaalsContact CG-CD2 3.44Å; R89-Y103 HydrophobicContact CG-CE2 3.81Å; R89-Y103 HydrophobicContact CG-CG 3.8Å; R89-Y103 VanDerWaalsContact NH1-CE1 3.33Å; R89-Y103 PolarHBondContact NH2-OH 3.49Å; R89-P409 PolarHBondContact NH1-O 2.94Å; R89-P409 PolarHBondContact NH2-O 3.16Å
90	T	95.9	Very high	95	Very high	93 Å²	93	53.2 Å²	53.2	57%	0.571	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.8	-3.1	-177.1	62.8	0	0	0	0	113.6	D87 T88 G92	D87-T90 PolarHBondContact O-N 3.48Å; D87-T90 VanDerWaalsContact O-N 3.1Å; D87-T90 PolarHBondContact O-OG1 3Å; T88-T90 PolarHBondContact O-N 3.32Å; T90-G92 PolarHBondContact O-N 2.86Å
91	W	95.3	Very high	94.9	Very high	93 Å²	93	55.5 Å²	55.5	35%	0.352	35%	0.347	S	S	.	.			trans	-79.4	106.5	178.5	-72.8	10.3	0	0	0	110.6	I59 D87 T88 S100 Y102 Y182	I59-W91 HydrophobicContact CD1-CH2 4.43Å; I59-W91 HydrophobicContact CG1-CH2 4.03Å; I59-W91 HydrophobicContact CG1-CZ2 4.38Å; I59-W91 HydrophobicContact CG2-CH2 3.7Å; I59-W91 HydrophobicContact CG2-CZ3 3.68Å; D87-W91 HydrophobicContact CB-CZ2 4.27Å; D87-W91 PolarHBondContact O-N 2.93Å; T88-W91 HydrophobicContact CG2-CD2 4.46Å; T88-W91 HydrophobicContact CG2-CE3 4.02Å; T88-W91 HydrophobicContact CG2-CZ3 4.42Å; T88-W91 PolarHBondContact O-N 3.47Å; W91-S100 WeakPolarHBondContact O-CB 3.49Å; W91-S100 PolarHBondContact O-OG 2.91Å; W91-Y102 HydrophobicContact CE3-CD2 4.39Å; W91-Y102 HydrophobicContact CE3-CE2 4.2Å; W91-Y182 AromaticContact CH2-CE1 3.96Å; W91-Y182 HydrophobicContact CH2-CE1 3.96Å; W91-Y182 HydrophobicContact CZ2-CE1 4.46Å
92	G	88.8	Confident	94.9	Very high	38 Å²	38	54.6 Å²	54.6	39%	0.392	34%	0.344	S	S	.	.			trans	-169.3	-176.9	174	0	0	0	0	0	110.7	T90 F95	T90-G92 PolarHBondContact O-N 2.86Å; G92-F95 VanDerWaalsContact CA-CE2 3.49Å; G92-F95 VanDerWaalsContact CA-CZ 3.47Å
93	P	89.5	Confident	95	Very high	120 Å²	120	52.7 Å²	52.7	78%	0.779	33%	0.332	S	S	*	.	S	Bend	cis	-65.5	161.8	2.5	28.4	-36.3	0	0	0	114.1	F95	P93-F95 HydrophobicContact CB-CD2 4.48Å
94	P	94.9	Very high	95.2	Very high	84 Å²	84	49.5 Å²	49.5	55%	0.545	30%	0.297	S	S	.	.			cis	-91.9	145.8	6.5	29.4	-22.7	0	0	0	114.3	T101	P94-T101 HydrophobicContact CB-CG2 4.38Å; P94-T101 HydrophobicContact CG-CG2 4.23Å; P94-T101 WeakPolarHBondContact CG-OG1 3.44Å; P94-T101 WeakPolarHBondContact O-CG2 3.48Å; P94-T101 PolarHBondContact O-N 2.91Å; P94-T101 PolarHBondContact O-OG1 3.34Å
95	F	95.9	Very high	95.4	Very high	94 Å²	94	47.5 Å²	47.5	41%	0.412	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	154.4	172.2	-62.3	-85.3	0	0	0	110	G92 P93 E99	G92-F95 VanDerWaalsContact CA-CE2 3.49Å; G92-F95 VanDerWaalsContact CA-CZ 3.47Å; P93-F95 HydrophobicContact CB-CD2 4.48Å; F95-E99 CarbonylContact C-O 3.55Å; F95-E99 VanDerWaalsContact CA-O 3.31Å; F95-E99 WeakPolarHBondContact CA-O 3.17Å
96	V	94.8	Very high	95.4	Very high	53 Å²	53	47.8 Å²	47.8	32%	0.321	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	117.8	162.7	57.1	0	0	0	0	107.2	T98 E99 L104 V385	V96-T98 PolarHBondContact O-N 2.81Å; V96-E99 HydrophobicContact CG1-CB 4.42Å; V96-E99 PolarHBondContact N-O 3.19Å; V96-E99 PolarHBondContact O-N 3.13Å; V96-L104 HydrophobicContact CG1-CD1 3.54Å; V96-V385 HydrophobicContact CG1-CB 4.31Å; V96-V385 HydrophobicContact CG1-CG1 4.35Å; V96-V385 HydrophobicContact CG1-CG2 4Å; V96-V385 HydrophobicContact CG2-CB 4.02Å; V96-V385 HydrophobicContact CG2-CG1 4.45Å; V96-V385 HydrophobicContact CG2-CG2 4.38Å; V96-V385 VanDerWaalsContact O-CG1 3.3Å; V96-V385 WeakPolarHBondContact O-CG1 3.42Å
97	G	92.1	Very high	95.4	Very high	69 Å²	69	47.8 Å²	47.8	71%	0.711	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	-122.8	-164.2	0	0	0	0	0	110.8
98	T	90.9	Very high	95.4	Very high	115 Å²	115	46.8 Å²	46.8	71%	0.706	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-3.3	175.1	55.2	0	0	0	0	113.9	V96	V96-T98 PolarHBondContact O-N 2.81Å
99	E	95.1	Very high	95.4	Very high	19 Å²	19	47 Å²	47	9%	0.089	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	130.2	-173.8	-62.9	-61.7	155.5	0	0	111.3	R89 F95 V96 T101 L104 V385	R89-E99 IonicContact NH1-OE2 2.89Å; F95-E99 CarbonylContact C-O 3.55Å; F95-E99 VanDerWaalsContact CA-O 3.31Å; F95-E99 WeakPolarHBondContact CA-O 3.17Å; V96-E99 HydrophobicContact CG1-CB 4.42Å; V96-E99 PolarHBondContact N-O 3.19Å; V96-E99 PolarHBondContact O-N 3.13Å; E99-T101 PolarHBondContact O-N 2.8Å; E99-L104 HydrophobicContact CB-CD1 3.96Å; E99-L104 HydrophobicContact CB-CD2 4.26Å; E99-L104 HydrophobicContact CB-CG 4.16Å; E99-V385 HydrophobicContact CB-CG1 4.33Å; E99-V385 HydrophobicContact CG-CG1 3.97Å
100	S	97.3	Very high	95.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	130	171.4	168.6	0	0	0	0	110.6	T88 R89 W91 Y102 Y103 L104	T88-S100 WeakPolarHBondContact O-CB 3.3Å; T88-S100 PolarHBondContact O-OG 3.39Å; T88-S100 VanDerWaalsContact O-OG 3.05Å; R89-S100 WeakPolarHBondContact O-CB 3.48Å; W91-S100 WeakPolarHBondContact O-CB 3.49Å; W91-S100 PolarHBondContact O-OG 2.91Å; S100-Y102 PolarHBondContact O-N 3.44Å; S100-Y102 VanDerWaalsContact OG-CB 3.28Å; S100-Y102 WeakPolarHBondContact OG-CB 3.29Å; S100-Y102 PolarHBondContact OG-N 3.12Å; S100-Y103 PolarHBondContact O-N 3.27Å; S100-Y103 VanDerWaalsContact O-N 3.16Å; S100-L104 WeakPolarHBondContact O-CG 3.37Å; S100-L104 PolarHBondContact O-N 2.79Å
101	T	97	Very high	95.6	Very high	56 Å²	56	42.9 Å²	42.9	34%	0.344	26%	0.259	S	S	.	.	H	α-helix	trans	-59.3	-26.8	171.3	56.1	0	0	0	0	112.5	P94 E99 S105	P94-T101 HydrophobicContact CB-CG2 4.38Å; P94-T101 HydrophobicContact CG-CG2 4.23Å; P94-T101 WeakPolarHBondContact CG-OG1 3.44Å; P94-T101 WeakPolarHBondContact O-CG2 3.48Å; P94-T101 PolarHBondContact O-N 2.91Å; P94-T101 PolarHBondContact O-OG1 3.34Å; E99-T101 PolarHBondContact O-N 2.8Å; T101-S105 WeakPolarHBondContact O-CB 3.31Å; T101-S105 PolarHBondContact O-N 3.32Å; T101-S105 VanDerWaalsContact O-N 3.09Å
102	Y	97.5	Very high	95.7	Very high	68 Å²	68	38.4 Å²	38.4	27%	0.267	24%	0.242	S	C	.	.	H	α-helix	trans	-64.9	-55.7	173.8	-157.4	-54.1	0	0	0	110.2	L60 T88 W91 S100 L104 S105 V106	L60-Y102 HydrophobicContact CB-CE1 4.38Å; L60-Y102 HydrophobicContact CD1-CE1 4.18Å; L60-Y102 VanDerWaalsContact CD2-OH 3.31Å; L60-Y102 WeakPolarHBondContact CD2-OH 3.46Å; T88-Y102 HydrophobicContact CG2-CD1 3.44Å; T88-Y102 VanDerWaalsContact CG2-CD1 3.44Å; T88-Y102 HydrophobicContact CG2-CE1 3.62Å; T88-Y102 HydrophobicContact CG2-CG 4.1Å; W91-Y102 HydrophobicContact CE3-CD2 4.39Å; W91-Y102 HydrophobicContact CE3-CE2 4.2Å; S100-Y102 PolarHBondContact O-N 3.44Å; S100-Y102 VanDerWaalsContact OG-CB 3.28Å; S100-Y102 WeakPolarHBondContact OG-CB 3.29Å; S100-Y102 PolarHBondContact OG-N 3.12Å; Y102-L104 PolarHBondContact O-N 2.9Å; Y102-S105 PolarHBondContact O-N 2.98Å; Y102-S105 PolarHBondContact O-OG 3.25Å; Y102-V106 HydrophobicContact CD1-CG2 4.4Å; Y102-V106 HydrophobicContact CE1-CG2 4.49Å
103	Y	98	Very high	96.2	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-55.5	-43.9	178.5	179.5	-95.1	0	0	0	111.3	D86 R89 S100 S105 V106 N107 P408 P409	D86-Y103 HydrophobicContact CB-CD2 4.3Å; D86-Y103 HydrophobicContact CB-CE2 4.19Å; R89-Y103 HydrophobicContact CG-CD1 4.42Å; R89-Y103 HydrophobicContact CG-CD2 3.44Å; R89-Y103 VanDerWaalsContact CG-CD2 3.44Å; R89-Y103 HydrophobicContact CG-CE2 3.81Å; R89-Y103 HydrophobicContact CG-CG 3.8Å; R89-Y103 VanDerWaalsContact NH1-CE1 3.33Å; R89-Y103 PolarHBondContact NH2-OH 3.49Å; S100-Y103 PolarHBondContact O-N 3.27Å; S100-Y103 VanDerWaalsContact O-N 3.16Å; Y103-S105 PolarHBondContact O-N 3.11Å; Y103-V106 PolarHBondContact O-N 3.23Å; Y103-N107 VanDerWaalsContact CD2-ND2 3.32Å; Y103-N107 WeakPolarHBondContact CD2-ND2 3.37Å; Y103-N107 HydrophobicContact CE1-CB 4.1Å; Y103-N107 HydrophobicContact CE2-CB 4.04Å; Y103-N107 VanDerWaalsContact CE2-ND2 3.32Å; Y103-N107 WeakPolarHBondContact CE2-ND2 3.47Å; Y103-N107 PolarHBondContact O-N 3.46Å; Y103-N107 PolarHBondContact O-ND2 3.21Å; Y103-N107 VanDerWaalsContact O-ND2 3.09Å; Y103-P408 HydrophobicContact CD1-CB 4.23Å; Y103-P408 HydrophobicContact CE1-CB 3.75Å; Y103-P409 PolarHBondContact OH-O 3.23Å
104	L	97.4	Very high	96.6	Very high	5 Å²	5	31 Å²	31	3%	0.026	19%	0.186	C	C	.	.	H	α-helix	trans	-62.3	-32.5	-179.3	-67.4	178.4	0	0	0	112.8	V96 E99 S100 Y102 V106 I388 P408	V96-L104 HydrophobicContact CG1-CD1 3.54Å; E99-L104 HydrophobicContact CB-CD1 3.96Å; E99-L104 HydrophobicContact CB-CD2 4.26Å; E99-L104 HydrophobicContact CB-CG 4.16Å; S100-L104 WeakPolarHBondContact O-CG 3.37Å; S100-L104 PolarHBondContact O-N 2.79Å; Y102-L104 PolarHBondContact O-N 2.9Å; L104-V106 VanDerWaalsContact C-N 3.34Å; L104-V106 PolarHBondContact O-N 3.4Å; L104-I388 HydrophobicContact CD1-CD1 4.42Å; L104-I388 HydrophobicContact CD1-CG2 4.37Å; L104-I388 HydrophobicContact CD2-CD1 4.19Å; L104-P408 HydrophobicContact CB-CG 4.35Å; L104-P408 HydrophobicContact CD2-CB 3.99Å; L104-P408 HydrophobicContact CD2-CG 3.92Å; L104-P408 WeakPolarHBondContact O-CG 3.48Å
105	S	96.6	Very high	96.8	Very high	38 Å²	38	27.1 Å²	27.1	27%	0.266	16%	0.161	S	C	.	.	H	α-helix	trans	-73.4	-20.5	-176.7	72.2	0	0	0	0	114.8	T101 Y102 Y103	T101-S105 WeakPolarHBondContact O-CB 3.31Å; T101-S105 PolarHBondContact O-N 3.32Å; T101-S105 VanDerWaalsContact O-N 3.09Å; Y102-S105 PolarHBondContact O-N 2.98Å; Y102-S105 PolarHBondContact O-OG 3.25Å; Y103-S105 PolarHBondContact O-N 3.11Å
106	V	97.1	Very high	96.9	Very high	7 Å²	7	25.4 Å²	25.4	4%	0.042	16%	0.157	C	C	.	.	S	Bend	trans	-129.3	14.3	-169.4	-60.7	0	0	0	0	115.9	L60 P63 F64 M67 Y102 Y103 L104	L60-V106 HydrophobicContact CD1-CB 4.4Å; L60-V106 HydrophobicContact CD1-CG1 3.62Å; P63-V106 HydrophobicContact CB-CG2 4.23Å; F64-V106 HydrophobicContact CD2-CG1 4.43Å; M67-V106 WeakPolarHBondContact SD-CA 3.35Å; Y102-V106 HydrophobicContact CD1-CG2 4.4Å; Y102-V106 HydrophobicContact CE1-CG2 4.49Å; Y103-V106 PolarHBondContact O-N 3.23Å; L104-V106 VanDerWaalsContact C-N 3.34Å; L104-V106 PolarHBondContact O-N 3.4Å
107	N	98.1	Very high	97	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	15%	0.146	C	C	.	.			trans	-133.9	14.1	-177.2	-68.6	-74.3	0	0	0	115.8	Y103 K110 P408 P409	Y103-N107 VanDerWaalsContact CD2-ND2 3.32Å; Y103-N107 WeakPolarHBondContact CD2-ND2 3.37Å; Y103-N107 HydrophobicContact CE1-CB 4.1Å; Y103-N107 HydrophobicContact CE2-CB 4.04Å; Y103-N107 VanDerWaalsContact CE2-ND2 3.32Å; Y103-N107 WeakPolarHBondContact CE2-ND2 3.47Å; Y103-N107 PolarHBondContact O-N 3.46Å; Y103-N107 PolarHBondContact O-ND2 3.21Å; Y103-N107 VanDerWaalsContact O-ND2 3.09Å; N107-K110 HydrophobicContact CB-CD 4.21Å; N107-K110 WeakPolarHBondContact O-CG 3.31Å; N107-K110 PolarHBondContact OD1-NZ 3.35Å; N107-P408 HydrophobicContact CB-CB 4.12Å; N107-P408 WeakPolarHBondContact O-CA 3.42Å; N107-P409 WeakPolarHBondContact O-CD 3.49Å
108	R	97.2	Very high	97.2	Very high	8 Å²	8	28.7 Å²	28.7	3%	0.03	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	158.3	172.3	66	176.1	177.4	-101.7	4.1	111.4	M67 D71 K110 M378 M380 P391 R406 P408	M67-R108 HydrophobicContact CG-CG 3.63Å; M67-R108 HydrophobicContact SD-CG 3.63Å; M67-R108 VanDerWaalsContact SD-CZ 3.55Å; D71-R108 IonicContact OD1-CZ 2.74Å; D71-R108 IonicContact OD1-NE 3.69Å; D71-R108 PolarHBondContact OD1-NE 3.4Å; D71-R108 IonicContact OD2-CZ 3.46Å; D71-R108 IonicContact OD2-NE 3.3Å; D71-R108 PolarHBondContact OD2-NE 3Å; D71-R108 VanDerWaalsContact OD2-NE 3.13Å; D71-R108 IonicContact OD2-NH2 3.44Å; D71-R108 PolarHBondContact OD2-NH2 2.86Å; R108-K110 PolarHBondContact O-N 3.35Å; R108-K110 VanDerWaalsContact O-N 3.13Å; R108-M378 VanDerWaalsContact CD-SD 3.51Å; R108-M380 HydrophobicContact CB-CE 4.16Å; R108-M380 HydrophobicContact CB-SD 3.9Å; R108-P391 PolarHBondContact NH1-O 2.91Å; R108-R406 WeakPolarHBondContact CA-O 3.19Å; R108-R406 WeakPolarHBondContact CB-O 3.23Å; R108-P408 HydrophobicContact CB-CG 4.38Å
109	N	96.7	Very high	97.6	Very high	5 Å²	5	25.5 Å²	25.5	3%	0.027	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	64	5.3	-179.8	-69.4	-42	0	0	0	116.7	D71 A405 R406	D71-N109 PolarHBondContact OD1-ND2 3.22Å; N109-A405 WeakPolarHBondContact OD1-CA 3.22Å; N109-R406 PolarHBondContact N-O 2.87Å; N109-R406 PolarHBondContact O-NH2 2.76Å; N109-R406 PolarHBondContact OD1-N 2.98Å
110	K	98.4	Very high	97.7	Very high	4 Å²	4	29.7 Å²	29.7	2%	0.017	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	150.9	177.9	-54	-172.9	-175.7	-179.9	0	112.3	D55 P63 T66 V76 K78 N107 R108 P409	D55-K110 IonicContact OD2-NZ 2.78Å; D55-K110 PolarHBondContact OD2-NZ 2.93Å; P63-K110 VanDerWaalsContact CA-NZ 3.28Å; P63-K110 PolarHBondContact O-NZ 2.81Å; T66-K110 VanDerWaalsContact OG1-CE 3.28Å; T66-K110 WeakPolarHBondContact OG1-CE 3.3Å; T66-K110 PolarHBondContact OG1-NZ 2.55Å; V76-K110 HydrophobicContact CB-CB 4.38Å; V76-K110 HydrophobicContact CB-CG 3.98Å; V76-K110 HydrophobicContact CG1-CB 4.37Å; V76-K110 HydrophobicContact CG1-CD 3.97Å; V76-K110 HydrophobicContact CG1-CG 3.8Å; K78-K110 HydrophobicContact CB-CD 4.26Å; K78-K110 HydrophobicContact CD-CD 4.21Å; N107-K110 HydrophobicContact CB-CD 4.21Å; N107-K110 WeakPolarHBondContact O-CG 3.31Å; N107-K110 PolarHBondContact OD1-NZ 3.35Å; R108-K110 PolarHBondContact O-N 3.35Å; R108-K110 VanDerWaalsContact O-N 3.13Å; K110-P409 HydrophobicContact CB-CG 4.29Å; K110-P409 WeakPolarHBondContact O-CG 3.48Å
111	K	98.4	Very high	97.8	Very high	24 Å²	24	34.5 Å²	34.5	10%	0.104	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	153.2	157.5	-65.9	-178.7	177.8	175.7	0	108.6	E75 V76 K78 H414 H417 I418	E75-K111 WeakPolarHBondContact OE1-CE 3.32Å; E75-K111 IonicContact OE1-NZ 3.09Å; E75-K111 PolarHBondContact OE1-NZ 3.39Å; V76-K111 PolarHBondContact O-N 3.14Å; K78-K111 WeakPolarHBondContact CB-O 3.49Å; K78-K111 PolarHBondContact N-O 2.74Å; K111-H414 HydrophobicContact CB-CB 3.98Å; K111-H414 HydrophobicContact CG-CB 4.43Å; K111-H417 PolarHBondContact NZ-NE2 3.36Å; K111-I418 HydrophobicContact CB-CD1 4.08Å
112	S	98.6	Very high	97.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	130.1	177.5	174.6	0	0	0	0	110.8	K78 E80 L410 G412 H414 T415	K78-S112 WeakPolarHBondContact O-CA 3.42Å; E80-S112 WeakPolarHBondContact OE2-CB 3.26Å; E80-S112 PolarHBondContact OE2-OG 3.3Å; S112-L410 WeakPolarHBondContact CB-O 3.4Å; S112-G412 CarbonylContact O-C 3.47Å; S112-G412 PolarHBondContact OG-N 3.23Å; S112-H414 PolarHBondContact N-ND1 2.86Å; S112-H414 VanDerWaalsContact N-ND1 3.19Å; S112-H414 CarbonylContact O-C 3.58Å; S112-H414 WeakPolarHBondContact O-CA 3.43Å; S112-H414 VanDerWaalsContact O-CB 3.31Å; S112-H414 WeakPolarHBondContact O-CB 3.27Å; S112-H414 PolarHBondContact O-N 2.84Å; S112-T415 PolarHBondContact O-N 3.13Å
113	I	98.8	Very high	97.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	128	168.4	-176.3	173.6	0	0	0	108.9	I77 K78 V79 E80 V115 I125 L129 T415 I418 L419	I77-I113 HydrophobicContact CG2-CG2 3.66Å; K78-I113 PolarHBondContact O-N 3.46Å; V79-I113 WeakPolarHBondContact CA-O 3.15Å; V79-I113 HydrophobicContact CG2-CG2 4.02Å; E80-I113 PolarHBondContact N-O 3.1Å; I113-V115 HydrophobicContact CB-CG2 4.49Å; I113-V115 HydrophobicContact CD1-CG2 3.7Å; I113-V115 HydrophobicContact CG1-CG2 3.57Å; I113-V115 HydrophobicContact CG2-CG2 4.33Å; I113-I125 HydrophobicContact CD1-CG2 4.39Å; I113-L129 HydrophobicContact CD1-CD1 4.38Å; I113-T415 WeakPolarHBondContact CA-OG1 3.49Å; I113-T415 HydrophobicContact CG1-CG2 4.05Å; I113-I418 HydrophobicContact CB-CD1 3.78Å; I113-I418 HydrophobicContact CD1-CB 4.26Å; I113-I418 HydrophobicContact CD1-CG2 3.88Å; I113-I418 HydrophobicContact CG2-CD1 4.24Å; I113-L419 HydrophobicContact CD1-CD2 4.15Å; I113-L419 HydrophobicContact CD1-CG 4.3Å
114	A	98.6	Very high	97.9	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.008	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	115	175.4	0	0	0	0	0	110	E80 P82 L411 T415 V439 A440	E80-A114 CarbonylContact O-C 3.55Å; E80-A114 VanDerWaalsContact O-CA 3.27Å; E80-A114 WeakPolarHBondContact O-CA 3.42Å; P82-A114 HydrophobicContact CG-CB 4.33Å; A114-L411 HydrophobicContact CB-CD1 4.26Å; A114-T415 PolarHBondContact N-OG1 2.96Å; A114-V439 WeakPolarHBondContact O-CA 3.44Å; A114-V439 WeakPolarHBondContact O-CB 3.35Å; A114-A440 HydrophobicContact CB-CB 4.01Å; A114-A440 WeakPolarHBondContact CB-O 3.17Å; A114-A440 PolarHBondContact O-N 2.78Å; A114-A440 VanDerWaalsContact O-N 3.12Å
115	V	98.6	Very high	98	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.018	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	129.1	-176.9	-171.2	0	0	0	0	110.7	V79 E80 P82 I113 I117 I125 I126 V438 V439	V79-V115 HydrophobicContact CG1-CB 4.32Å; E80-V115 PolarHBondContact O-N 2.86Å; P82-V115 VanDerWaalsContact CD-C 3.46Å; P82-V115 WeakPolarHBondContact CD-O 3.44Å; I113-V115 HydrophobicContact CB-CG2 4.49Å; I113-V115 HydrophobicContact CD1-CG2 3.7Å; I113-V115 HydrophobicContact CG1-CG2 3.57Å; I113-V115 HydrophobicContact CG2-CG2 4.33Å; V115-I117 HydrophobicContact CG1-CG2 4.35Å; V115-I117 PolarHBondContact O-N 2.85Å; V115-I117 VanDerWaalsContact O-N 3.17Å; V115-I125 HydrophobicContact CG1-CB 4.49Å; V115-I125 HydrophobicContact CG1-CD1 4.41Å; V115-I125 HydrophobicContact CG2-CG2 4.31Å; V115-I126 HydrophobicContact CB-CD1 4.38Å; V115-I126 HydrophobicContact CG1-CD1 4.34Å; V115-I126 HydrophobicContact CG2-CD1 4.4Å; V115-V438 CarbonylContact C-O 3.47Å; V115-V438 WeakPolarHBondContact CA-O 3.47Å; V115-V439 HydrophobicContact CG1-CG1 4.44Å; V115-V439 HydrophobicContact CG2-CG1 4.29Å
116	N	98.1	Very high	98.1	Very high	58 Å²	58	32.5 Å²	32.5	31%	0.31	16%	0.161	S	C	.	.			trans	-80.2	91.7	170.5	-178.9	10.8	0	0	0	110.7	P82 K118 D119 V438	P82-N116 HydrophobicContact CG-CB 4.17Å; N116-K118 PolarHBondContact O-N 3.14Å; N116-K118 VanDerWaalsContact O-N 3.12Å; N116-K118 WeakPolarHBondContact OD1-CB 3.44Å; N116-K118 PolarHBondContact OD1-N 3.47Å; N116-K118 VanDerWaalsContact OD1-N 3.14Å; N116-D119 WeakPolarHBondContact O-CB 3.41Å; N116-D119 PolarHBondContact O-N 3.13Å; N116-D119 VanDerWaalsContact O-N 3.08Å; N116-V438 PolarHBondContact N-O 3.09Å
117	I	97.5	Very high	98.2	Very high	18 Å²	18	35.3 Å²	35.3	9%	0.092	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-0.2	179.7	67.7	171.7	0	0	0	114.6	V79 V115 V123 I126 Y140 L145 M148	V79-I117 HydrophobicContact CG1-CG2 4.38Å; V115-I117 HydrophobicContact CG1-CG2 4.35Å; V115-I117 PolarHBondContact O-N 2.85Å; V115-I117 VanDerWaalsContact O-N 3.17Å; I117-V123 VanDerWaalsContact O-CG2 3.25Å; I117-V123 WeakPolarHBondContact O-CG2 3.43Å; I117-I126 HydrophobicContact CG2-CD1 4.08Å; I117-I126 HydrophobicContact CG2-CG1 3.64Å; I117-Y140 HydrophobicContact CD1-CE1 4.45Å; I117-L145 HydrophobicContact CD1-CD2 4.18Å; I117-M148 HydrophobicContact CD1-SD 4.29Å; I117-M148 HydrophobicContact CG1-SD 4.4Å
118	K	96.2	Very high	98.2	Very high	174 Å²	174	37.4 Å²	37.4	76%	0.757	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-20.2	169	-61.7	-178.6	178.5	178.2	0	112	N116	N116-K118 PolarHBondContact O-N 3.14Å; N116-K118 VanDerWaalsContact O-N 3.12Å; N116-K118 WeakPolarHBondContact OD1-CB 3.44Å; N116-K118 PolarHBondContact OD1-N 3.47Å; N116-K118 VanDerWaalsContact OD1-N 3.14Å
119	D	97.9	Very high	98.3	Very high	48 Å²	48	37 Å²	37	26%	0.257	18%	0.18	S	C	.	.	S	Bend	trans	-83.4	133.9	173.8	-168.6	-62.1	0	0	0	109.5	N116 K121 G122 V123 V438	N116-D119 WeakPolarHBondContact O-CB 3.41Å; N116-D119 PolarHBondContact O-N 3.13Å; N116-D119 VanDerWaalsContact O-N 3.08Å; D119-K121 PolarHBondContact O-N 2.97Å; D119-K121 VanDerWaalsContact OD1-CB 3.29Å; D119-K121 WeakPolarHBondContact OD1-CB 3.39Å; D119-K121 PolarHBondContact OD1-N 3.41Å; D119-G122 WeakPolarHBondContact O-CA 2.86Å; D119-G122 PolarHBondContact O-N 3.35Å; D119-V123 PolarHBondContact O-N 2.96Å; D119-V438 HydrophobicContact CB-CG2 4.42Å
120	P	98.1	Very high	98.4	Very high	106 Å²	106	36.8 Å²	36.8	69%	0.688	18%	0.179	S	C	*	.	H	α-helix	trans	-53.8	-34.2	175.2	-27.2	35.3	0	0	0	114.3	G122 V123 K124	P120-G122 VanDerWaalsContact C-N 3.32Å; P120-V123 PolarHBondContact O-N 2.97Å; P120-K124 PolarHBondContact O-N 2.93Å
121	K	98.3	Very high	98.4	Very high	101 Å²	101	37.8 Å²	37.8	44%	0.439	19%	0.188	S	C	.	.	H	α-helix	trans	-66.2	-36.1	173.7	-65.6	-177.9	178.2	-175.2	0	111.3	D119 K124 I125 L433 V438	D119-K121 PolarHBondContact O-N 2.97Å; D119-K121 VanDerWaalsContact OD1-CB 3.29Å; D119-K121 WeakPolarHBondContact OD1-CB 3.39Å; D119-K121 PolarHBondContact OD1-N 3.41Å; K121-K124 WeakPolarHBondContact O-CB 3.35Å; K121-K124 PolarHBondContact O-N 3.48Å; K121-I125 WeakPolarHBondContact O-CG1 3.45Å; K121-I125 PolarHBondContact O-N 3.4Å; K121-I125 VanDerWaalsContact O-N 3.13Å; K121-L433 HydrophobicContact CB-CD2 4.07Å; K121-L433 HydrophobicContact CD-CD2 4.09Å; K121-V438 HydrophobicContact CB-CG1 3.88Å; K121-V438 HydrophobicContact CB-CG2 4.17Å; K121-V438 HydrophobicContact CD-CG2 4.23Å
122	G	98.5	Very high	98.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-65.7	-46.1	173.3	0	0	0	0	0	112.1	D119 P120 K124 I125 I126	D119-G122 WeakPolarHBondContact O-CA 2.86Å; D119-G122 PolarHBondContact O-N 3.35Å; P120-G122 VanDerWaalsContact C-N 3.32Å; G122-K124 VanDerWaalsContact C-N 3.27Å; G122-K124 PolarHBondContact O-N 3.41Å; G122-I125 WeakPolarHBondContact O-CB 3.27Å; G122-I125 PolarHBondContact O-N 3.41Å; G122-I125 VanDerWaalsContact O-N 3.14Å; G122-I126 WeakPolarHBondContact O-CG1 3.43Å; G122-I126 PolarHBondContact O-N 3.08Å; G122-I126 VanDerWaalsContact O-N 3.11Å
123	V	98.6	Very high	98.4	Very high	19 Å²	19	39.5 Å²	39.5	12%	0.115	20%	0.201	C	C	.	.	H	α-helix	trans	-56.5	-42.8	173.4	173	0	0	0	0	111.2	I117 D119 P120 I125 I126 K127 M148 L150	I117-V123 VanDerWaalsContact O-CG2 3.25Å; I117-V123 WeakPolarHBondContact O-CG2 3.43Å; D119-V123 PolarHBondContact O-N 2.96Å; P120-V123 PolarHBondContact O-N 2.97Å; V123-I125 PolarHBondContact O-N 3.17Å; V123-I126 PolarHBondContact O-N 3.12Å; V123-K127 HydrophobicContact CG1-CD 4.41Å; V123-K127 PolarHBondContact O-N 3.21Å; V123-M148 WeakPolarHBondContact CG1-O 3.36Å; V123-M148 HydrophobicContact CG2-CB 4.49Å; V123-L150 HydrophobicContact CG1-CD2 3.93Å; V123-L150 HydrophobicContact CG1-CG 4.08Å; V123-L150 HydrophobicContact CG2-CD1 4.42Å
124	K	98.6	Very high	98.4	Very high	106 Å²	106	41.4 Å²	41.4	46%	0.461	21%	0.211	S	C	.	.	H	α-helix	trans	-57.9	-46.4	175.9	179.7	-178.7	169.3	-176	0	111.8	P120 K121 G122 I126 K127 E128	P120-K124 PolarHBondContact O-N 2.93Å; K121-K124 WeakPolarHBondContact O-CB 3.35Å; K121-K124 PolarHBondContact O-N 3.48Å; G122-K124 VanDerWaalsContact C-N 3.27Å; G122-K124 PolarHBondContact O-N 3.41Å; K124-I126 VanDerWaalsContact C-N 3.32Å; K124-I126 PolarHBondContact O-N 2.77Å; K124-K127 PolarHBondContact O-N 2.84Å; K124-E128 WeakPolarHBondContact CE-OE1 3.35Å; K124-E128 IonicContact NZ-OE1 2.73Å; K124-E128 WeakPolarHBondContact O-CG 3.45Å; K124-E128 PolarHBondContact O-N 3.01Å
125	I	98.8	Very high	98.4	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-58.4	-44	176.9	-67.7	163.4	0	0	0	111	I113 V115 K121 G122 V123 K127 E128 L129 L419 L423 Y425 L433 V438 V439	I113-I125 HydrophobicContact CD1-CG2 4.39Å; V115-I125 HydrophobicContact CG1-CB 4.49Å; V115-I125 HydrophobicContact CG1-CD1 4.41Å; V115-I125 HydrophobicContact CG2-CG2 4.31Å; K121-I125 WeakPolarHBondContact O-CG1 3.45Å; K121-I125 PolarHBondContact O-N 3.4Å; K121-I125 VanDerWaalsContact O-N 3.13Å; G122-I125 WeakPolarHBondContact O-CB 3.27Å; G122-I125 PolarHBondContact O-N 3.41Å; G122-I125 VanDerWaalsContact O-N 3.14Å; V123-I125 PolarHBondContact O-N 3.17Å; I125-K127 VanDerWaalsContact C-N 3.35Å; I125-K127 PolarHBondContact O-N 2.89Å; I125-E128 PolarHBondContact O-N 2.87Å; I125-L129 HydrophobicContact CG2-CD1 4Å; I125-L129 HydrophobicContact CG2-CG 4.48Å; I125-L129 WeakPolarHBondContact O-CG 3.45Å; I125-L129 PolarHBondContact O-N 3.05Å; I125-L419 HydrophobicContact CD1-CD2 4.27Å; I125-L419 HydrophobicContact CG1-CD2 4.4Å; I125-L419 HydrophobicContact CG2-CD2 4.03Å; I125-L423 HydrophobicContact CG2-CD1 4.01Å; I125-Y425 HydrophobicContact CG1-CE2 4.34Å; I125-L433 HydrophobicContact CD1-CD1 4.01Å; I125-L433 HydrophobicContact CD1-CD2 4.22Å; I125-V438 HydrophobicContact CD1-CG1 4.26Å; I125-V439 HydrophobicContact CD1-CG1 3.69Å
126	I	98.8	Very high	98.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63.6	-41.3	178.9	-58.8	-47	0	0	0	111.5	L54 L56 V79 V115 I117 G122 V123 K124 L129 A130 F136 L150	L54-I126 HydrophobicContact CD2-CG2 4.13Å; L56-I126 HydrophobicContact CD1-CG2 4.45Å; L56-I126 HydrophobicContact CD2-CG2 4.24Å; V79-I126 HydrophobicContact CB-CD1 4.41Å; V79-I126 HydrophobicContact CG1-CD1 3.66Å; V79-I126 HydrophobicContact CG2-CD1 3.85Å; V115-I126 HydrophobicContact CB-CD1 4.38Å; V115-I126 HydrophobicContact CG1-CD1 4.34Å; V115-I126 HydrophobicContact CG2-CD1 4.4Å; I117-I126 HydrophobicContact CG2-CD1 4.08Å; I117-I126 HydrophobicContact CG2-CG1 3.64Å; G122-I126 WeakPolarHBondContact O-CG1 3.43Å; G122-I126 PolarHBondContact O-N 3.08Å; G122-I126 VanDerWaalsContact O-N 3.11Å; V123-I126 PolarHBondContact O-N 3.12Å; K124-I126 VanDerWaalsContact C-N 3.32Å; K124-I126 PolarHBondContact O-N 2.77Å; I126-L129 HydrophobicContact CD1-CD1 4.49Å; I126-L129 PolarHBondContact O-N 3.1Å; I126-A130 WeakPolarHBondContact O-CB 3.31Å; I126-A130 PolarHBondContact O-N 3.09Å; I126-F136 HydrophobicContact CG2-CE2 3.8Å; I126-F136 HydrophobicContact CG2-CZ 4.17Å; I126-L150 HydrophobicContact CB-CD1 4.34Å; I126-L150 HydrophobicContact CB-CD2 3.94Å; I126-L150 HydrophobicContact CG2-CD1 4.12Å; I126-L150 HydrophobicContact CG2-CD2 3.69Å
127	K	98.8	Very high	98.4	Very high	65 Å²	65	38.4 Å²	38.4	28%	0.283	20%	0.195	S	C	.	.	H	α-helix	trans	-62.6	-43.5	175.9	-75.6	-174.7	176.4	-171.2	0	112.3	V123 K124 I125 A130 A131 G149 L150 I155 I158	V123-K127 HydrophobicContact CG1-CD 4.41Å; V123-K127 PolarHBondContact O-N 3.21Å; K124-K127 PolarHBondContact O-N 2.84Å; I125-K127 VanDerWaalsContact C-N 3.35Å; I125-K127 PolarHBondContact O-N 2.89Å; K127-A130 PolarHBondContact O-N 3.01Å; K127-A131 PolarHBondContact O-N 2.62Å; K127-G149 WeakPolarHBondContact CE-O 3.46Å; K127-G149 PolarHBondContact NZ-O 2.71Å; K127-L150 HydrophobicContact CG-CD2 3.86Å; K127-I155 HydrophobicContact CG-CD1 4.26Å; K127-I158 HydrophobicContact CB-CD1 3.51Å; K127-I158 HydrophobicContact CD-CD1 4.28Å; K127-I158 HydrophobicContact CG-CD1 3.8Å; K127-I158 WeakPolarHBondContact O-CD1 3.38Å
128	E	98.7	Very high	98.5	Very high	44 Å²	44	38 Å²	38	21%	0.206	19%	0.192	C	C	.	.	H	α-helix	trans	-66.8	-38.7	177.5	-69.8	177.4	180	0	0	112.1	K124 I125 A131 L423 Y425	K124-E128 WeakPolarHBondContact CE-OE1 3.35Å; K124-E128 IonicContact NZ-OE1 2.73Å; K124-E128 WeakPolarHBondContact O-CG 3.45Å; K124-E128 PolarHBondContact O-N 3.01Å; I125-E128 PolarHBondContact O-N 2.87Å; E128-A131 PolarHBondContact O-N 3.5Å; E128-L423 HydrophobicContact CB-CD1 4.23Å; E128-L423 HydrophobicContact CB-CD2 3.9Å; E128-Y425 WeakPolarHBondContact OE2-CE1 3.46Å; E128-Y425 VanDerWaalsContact OE2-CZ 3.28Å; E128-Y425 PolarHBondContact OE2-OH 3Å
129	L	98.8	Very high	98.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63	-43.5	171.6	-73.3	169.8	0	0	0	111.4	L54 I77 I113 I125 I126 A131 V132 C133 I418 V422 L423	L54-L129 HydrophobicContact CD1-CB 3.94Å; L54-L129 HydrophobicContact CD1-CD1 3.93Å; L54-L129 HydrophobicContact CD1-CG 4.49Å; L54-L129 HydrophobicContact CD2-CB 3.71Å; L54-L129 HydrophobicContact CG-CB 4.46Å; I77-L129 HydrophobicContact CD1-CD2 4.41Å; I113-L129 HydrophobicContact CD1-CD1 4.38Å; I125-L129 HydrophobicContact CG2-CD1 4Å; I125-L129 HydrophobicContact CG2-CG 4.48Å; I125-L129 WeakPolarHBondContact O-CG 3.45Å; I125-L129 PolarHBondContact O-N 3.05Å; I126-L129 HydrophobicContact CD1-CD1 4.49Å; I126-L129 PolarHBondContact O-N 3.1Å; L129-A131 VanDerWaalsContact C-N 3.26Å; L129-A131 PolarHBondContact O-N 2.95Å; L129-V132 VanDerWaalsContact O-CG2 3.26Å; L129-V132 WeakPolarHBondContact O-CG2 3.35Å; L129-V132 PolarHBondContact O-N 3.32Å; L129-V132 VanDerWaalsContact O-N 3.13Å; L129-C133 WeakPolarHBondContact O-CB 3.34Å; L129-C133 PolarHBondContact O-N 3.29Å; L129-C133 VanDerWaalsContact O-N 3.09Å; L129-C133 PolarHBondContact O-SG 3.44Å; L129-I418 HydrophobicContact CD2-CG2 3.72Å; L129-V422 HydrophobicContact CD2-CG1 4.13Å; L129-L423 HydrophobicContact CD2-CD1 4.18Å; L129-L423 HydrophobicContact CD2-CD2 3.77Å; L129-L423 HydrophobicContact CD2-CG 3.92Å; L129-L423 HydrophobicContact CG-CD1 4.08Å; L129-L423 HydrophobicContact CG-CD2 4.09Å; L129-L423 HydrophobicContact CG-CG 4.31Å
130	A	98.7	Very high	98.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-60.2	-37.3	177.6	0	0	0	0	0	111.8	L54 I126 K127 V132 C133 F136 I155 I162	L54-A130 HydrophobicContact CD2-CB 4.18Å; I126-A130 WeakPolarHBondContact O-CB 3.31Å; I126-A130 PolarHBondContact O-N 3.09Å; K127-A130 PolarHBondContact O-N 3.01Å; A130-V132 PolarHBondContact O-N 3.4Å; A130-C133 PolarHBondContact O-N 2.94Å; A130-F136 HydrophobicContact CB-CD2 4.01Å; A130-F136 HydrophobicContact CB-CE2 4.35Å; A130-I155 HydrophobicContact CB-CD1 4.2Å; A130-I155 HydrophobicContact CB-CG2 3.89Å; A130-I162 HydrophobicContact CB-CD1 3.93Å; A130-I162 WeakPolarHBondContact O-CD1 3.46Å
131	A	98.4	Very high	98.5	Very high	26 Å²	26	29.2 Å²	29.2	22%	0.215	15%	0.147	C	C	.	.	H	α-helix	trans	-65	-19.9	178.1	0	0	0	0	0	114.5	K127 E128 L129	K127-A131 PolarHBondContact O-N 2.62Å; E128-A131 PolarHBondContact O-N 3.5Å; L129-A131 VanDerWaalsContact C-N 3.26Å; L129-A131 PolarHBondContact O-N 2.95Å
132	V	98.1	Very high	98.4	Very high	60 Å²	60	24.9 Å²	24.9	36%	0.364	13%	0.129	S	C	.	.	H	α-helix	trans	-112.6	1.6	179	-57.6	0	0	0	0	113.6	L129 A130 V422 L423	L129-V132 VanDerWaalsContact O-CG2 3.26Å; L129-V132 WeakPolarHBondContact O-CG2 3.35Å; L129-V132 PolarHBondContact O-N 3.32Å; L129-V132 VanDerWaalsContact O-N 3.13Å; A130-V132 PolarHBondContact O-N 3.4Å; V132-V422 HydrophobicContact CG2-CG1 3.82Å; V132-L423 HydrophobicContact CG2-CD2 4.4Å
133	C	98.8	Very high	98.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.148	C	C	.	.			trans	-104.1	156.6	177	-68.5	0	0	0	0	111.6	K52 L54 L129 A130 H161	K52-C133 HydrophobicContact CB-CB 4.29Å; L54-C133 HydrophobicContact CB-CB 4.18Å; L129-C133 WeakPolarHBondContact O-CB 3.34Å; L129-C133 PolarHBondContact O-N 3.29Å; L129-C133 VanDerWaalsContact O-N 3.09Å; L129-C133 PolarHBondContact O-SG 3.44Å; A130-C133 PolarHBondContact O-N 2.94Å; C133-H161 PolarHBondContact O-NE2 3.46Å
134	D	98.8	Very high	98.2	Very high	39 Å²	39	31.3 Å²	31.3	21%	0.209	17%	0.166	C	C	.	.	S	Bend	trans	-91.9	-28.7	179.7	-62.2	-72.1	0	0	0	113	V51 K52 I163 L227 K230	V51-D134 WeakPolarHBondContact CA-OD2 3.42Å; V51-D134 HydrophobicContact CG1-CB 4.03Å; K52-D134 PolarHBondContact N-OD2 3.48Å; K52-D134 PolarHBondContact O-N 3.31Å; D134-I163 PolarHBondContact O-N 2.91Å; D134-L227 HydrophobicContact CB-CD2 4.41Å; D134-K230 VanDerWaalsContact CB-NZ 3.31Å; D134-K230 IonicContact OD1-NZ 3.73Å; D134-K230 PolarHBondContact OD1-NZ 3.34Å
135	V	98.9	Very high	98.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	137.2	-176.4	-170.5	0	0	0	0	109.1	V51 K52 I53 L54 V137 I163 I223 L227	V51-V135 HydrophobicContact CG1-CG2 4.42Å; K52-V135 PolarHBondContact O-N 2.96Å; I53-V135 WeakPolarHBondContact CA-O 3.3Å; I53-V135 HydrophobicContact CB-CB 4.43Å; I53-V135 HydrophobicContact CG1-CB 4.06Å; I53-V135 HydrophobicContact CG1-CG2 4.21Å; I53-V135 HydrophobicContact CG2-CB 4.21Å; I53-V135 HydrophobicContact CG2-CG1 4.42Å; L54-V135 PolarHBondContact N-O 3.48Å; V135-V137 HydrophobicContact CG1-CG2 3.65Å; V135-I163 CarbonylContact C-O 3.52Å; V135-I163 VanDerWaalsContact CA-O 3.3Å; V135-I163 WeakPolarHBondContact CA-O 3.4Å; V135-I163 HydrophobicContact CG1-CB 4.39Å; V135-I163 HydrophobicContact CG1-CG2 4.5Å; V135-I163 WeakPolarHBondContact CG1-O 3.5Å; V135-I163 HydrophobicContact CG2-CB 4.39Å; V135-I163 HydrophobicContact CG2-CD1 4.33Å; V135-I223 HydrophobicContact CG1-CD1 4.22Å; V135-I223 HydrophobicContact CG1-CG1 4.22Å; V135-I223 HydrophobicContact CG1-CG2 3.87Å; V135-I223 HydrophobicContact CG2-CG2 3.94Å; V135-L227 HydrophobicContact CG2-CD2 3.95Å; V135-L227 HydrophobicContact CG2-CG 4.36Å
136	F	98.9	Very high	98	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	123.9	170.2	-170.5	-73.8	0	0	0	107.9	L54 L56 I126 A130 E138 L145 I155 I162 I163 Y164 C165	L54-F136 HydrophobicContact CB-CD2 4.41Å; L54-F136 HydrophobicContact CD2-CD2 3.73Å; L54-F136 HydrophobicContact CD2-CE2 3.74Å; L54-F136 HydrophobicContact CG-CD2 4.31Å; L54-F136 HydrophobicContact CG-CE2 4.45Å; L56-F136 HydrophobicContact CD1-CE1 4.21Å; L56-F136 HydrophobicContact CD1-CE2 4.02Å; L56-F136 HydrophobicContact CD1-CZ 3.77Å; L56-F136 HydrophobicContact CD2-CE1 4.15Å; L56-F136 HydrophobicContact CD2-CE2 4.48Å; L56-F136 HydrophobicContact CD2-CZ 3.62Å; L56-F136 HydrophobicContact CG-CZ 4.28Å; I126-F136 HydrophobicContact CG2-CE2 3.8Å; I126-F136 HydrophobicContact CG2-CZ 4.17Å; A130-F136 HydrophobicContact CB-CD2 4.01Å; A130-F136 HydrophobicContact CB-CE2 4.35Å; F136-E138 HydrophobicContact CD1-CB 4.41Å; F136-E138 HydrophobicContact CD1-CG 4.3Å; F136-E138 HydrophobicContact CE1-CB 3.93Å; F136-E138 HydrophobicContact CE1-CG 3.93Å; F136-L145 HydrophobicContact CE1-CD1 4.26Å; F136-I155 HydrophobicContact CE2-CD1 4.4Å; F136-I162 HydrophobicContact CB-CD1 3.62Å; F136-I162 HydrophobicContact CB-CG1 4.09Å; F136-I162 HydrophobicContact CD2-CD1 4.37Å; F136-I162 HydrophobicContact CG-CD1 4.49Å; F136-I163 PolarHBondContact N-O 3.17Å; F136-Y164 HydrophobicContact CB-CD2 4.06Å; F136-Y164 HydrophobicContact CB-CG 4.47Å; F136-Y164 AromaticContact CD1-CD2 3.73Å; F136-Y164 HydrophobicContact CD1-CD2 3.73Å; F136-Y164 HydrophobicContact CD1-CE1 4.4Å; F136-Y164 AromaticContact CD1-CE2 3.44Å; F136-Y164 HydrophobicContact CD1-CE2 3.44Å; F136-Y164 VanDerWaalsContact CD1-CE2 3.44Å; F136-Y164 HydrophobicContact CD1-CG 4.35Å; F136-Y164 AromaticContact CD1-CZ 3.81Å; F136-Y164 HydrophobicContact CE1-CD2 4.35Å; F136-Y164 AromaticContact CE1-CE2 3.61Å; F136-Y164 HydrophobicContact CE1-CE2 3.61Å; F136-Y164 AromaticContact CE1-CZ 3.81Å; F136-Y164 AromaticContact CG-CD2 3.96Å; F136-Y164 HydrophobicContact CG-CD2 3.96Å; F136-Y164 HydrophobicContact CG-CE2 4.02Å; F136-Y164 HydrophobicContact CZ-CE2 4.3Å; F136-Y164 CarbonylContact O-C 3.6Å; F136-Y164 WeakPolarHBondContact O-CA 3.49Å; F136-C165 PolarHBondContact O-N 2.86Å
137	V	98.9	Very high	98	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	131.6	-179.3	-162.8	0	0	0	0	109.7	I53 L54 L56 T57 T66 V135 C165 I167 I223	I53-V137 HydrophobicContact CG2-CG2 3.95Å; L54-V137 PolarHBondContact O-N 2.97Å; L56-V137 PolarHBondContact N-O 2.84Å; T57-V137 HydrophobicContact CG2-CB 3.92Å; T57-V137 HydrophobicContact CG2-CG1 3.47Å; T57-V137 VanDerWaalsContact CG2-CG1 3.47Å; T66-V137 HydrophobicContact CG2-CB 4.06Å; T66-V137 HydrophobicContact CG2-CG1 4.26Å; T66-V137 HydrophobicContact CG2-CG2 3.89Å; V135-V137 HydrophobicContact CG1-CG2 3.65Å; V137-C165 WeakPolarHBondContact CA-O 3.39Å; V137-C165 HydrophobicContact CG1-CB 4.17Å; V137-C165 HydrophobicContact CG2-CB 4.39Å; V137-I167 HydrophobicContact CG1-CD1 4.14Å; V137-I223 HydrophobicContact CG2-CD1 3.91Å
138	E	98.8	Very high	97.9	Very high	8 Å²	8	33 Å²	33	4%	0.037	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	158.8	-179.9	65.9	85.8	-160.8	0	0	111.6	L56 F136 Y140 L145 Y164 C165 S166 I167	L56-E138 HydrophobicContact CB-CB 4.06Å; F136-E138 HydrophobicContact CD1-CB 4.41Å; F136-E138 HydrophobicContact CD1-CG 4.3Å; F136-E138 HydrophobicContact CE1-CB 3.93Å; F136-E138 HydrophobicContact CE1-CG 3.93Å; E138-Y140 HydrophobicContact CB-CD2 4.19Å; E138-Y140 WeakPolarHBondContact OE2-CB 3.34Å; E138-Y140 WeakPolarHBondContact OE2-CD2 2.98Å; E138-Y140 PolarHBondContact OE2-N 3.19Å; E138-L145 HydrophobicContact CB-CD1 3.72Å; E138-L145 HydrophobicContact CG-CD1 3.63Å; E138-Y164 HydrophobicContact CG-CE1 3.78Å; E138-Y164 WeakPolarHBondContact CG-OH 3.41Å; E138-C165 PolarHBondContact N-O 3.35Å; E138-S166 WeakPolarHBondContact OE1-CA 3.4Å; E138-S166 WeakPolarHBondContact OE1-CB 3.38Å; E138-S166 PolarHBondContact OE1-OG 2.83Å; E138-I167 PolarHBondContact O-N 3.01Å
139	N	98.1	Very high	97.9	Very high	42 Å²	42	31.8 Å²	31.8	23%	0.225	20%	0.199	C	C	.	.			trans	-138.4	39.7	179.6	70.2	-27.4	0	0	0	113.9	T57 R58 I167	T57-N139 VanDerWaalsContact CA-OD1 3.27Å; T57-N139 WeakPolarHBondContact CA-OD1 3.43Å; R58-N139 PolarHBondContact N-OD1 3.25Å; R58-N139 PolarHBondContact O-ND2 3.35Å; N139-I167 WeakPolarHBondContact CA-O 3.49Å; N139-I167 HydrophobicContact CB-CB 4.03Å; N139-I167 WeakPolarHBondContact CB-O 3.36Å
140	Y	97.2	Very high	97.9	Very high	45 Å²	45	31.8 Å²	31.8	18%	0.176	20%	0.199	C	C	.	.			trans	-81	158.9	175.3	-67.8	-105.6	0	0	0	110.7	L56 I117 E138 K144 L145	L56-Y140 HydrophobicContact CB-CE2 4.25Å; I117-Y140 HydrophobicContact CD1-CE1 4.45Å; E138-Y140 HydrophobicContact CB-CD2 4.19Å; E138-Y140 WeakPolarHBondContact OE2-CB 3.34Å; E138-Y140 WeakPolarHBondContact OE2-CD2 2.98Å; E138-Y140 PolarHBondContact OE2-N 3.19Å; Y140-K144 HydrophobicContact CD1-CG 4.06Å; Y140-L145 HydrophobicContact CD1-CD2 4.38Å; Y140-L145 HydrophobicContact CD2-CD1 3.79Å; Y140-L145 HydrophobicContact CD2-CD2 4.1Å; Y140-L145 HydrophobicContact CD2-CG 3.89Å; Y140-L145 HydrophobicContact CE1-CD2 4.43Å; Y140-L145 HydrophobicContact CE2-CD1 4.25Å; Y140-L145 HydrophobicContact CE2-CD2 4.19Å; Y140-L145 HydrophobicContact CE2-CG 4.43Å; Y140-L145 HydrophobicContact CG-CD1 4.36Å; Y140-L145 HydrophobicContact CG-CD2 4.21Å; Y140-L145 HydrophobicContact CG-CG 3.98Å
141	V	96.1	Very high	97.9	Very high	58 Å²	58	31.9 Å²	31.9	35%	0.352	20%	0.2	S	C	.	.			trans	-57.7	136.8	170.5	177.2	0	0	0	0	109.2	G143 K144	V141-G143 PolarHBondContact O-N 2.87Å; V141-K144 WeakPolarHBondContact O-CB 3.47Å; V141-K144 PolarHBondContact O-N 3.09Å; V141-K144 VanDerWaalsContact O-N 3.07Å
142	P	97.3	Very high	97.9	Very high	9 Å²	9	32.9 Å²	32.9	6%	0.058	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.8	133.9	-177.9	-32.1	35	0	0	0	113.9	K144 T168 S177 Q178	P142-K144 VanDerWaalsContact C-N 3.28Å; P142-K144 PolarHBondContact O-N 3.21Å; P142-T168 HydrophobicContact CG-CG2 3.99Å; P142-S177 WeakPolarHBondContact CD-O 3.4Å; P142-S177 WeakPolarHBondContact CG-O 3.31Å; P142-Q178 PolarHBondContact O-NE2 2.87Å; P142-Q178 PolarHBondContact O-OE1 3.34Å
143	G	95.5	Very high	97.9	Very high	39 Å²	39	36 Å²	36	40%	0.402	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.8	-13.8	179.9	0	0	0	0	0	115.4	V141 L145 S146 A147	V141-G143 PolarHBondContact O-N 2.87Å; G143-L145 PolarHBondContact O-N 3.32Å; G143-S146 PolarHBondContact O-N 3Å; G143-A147 PolarHBondContact O-N 2.81Å
144	K	96.5	Very high	97.9	Very high	115 Å²	115	38.1 Å²	38.1	50%	0.5	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-45.6	-178.6	-174.6	61.7	171.9	-176.1	0	113	Y140 V141 P142	Y140-K144 HydrophobicContact CD1-CG 4.06Å; V141-K144 WeakPolarHBondContact O-CB 3.47Å; V141-K144 PolarHBondContact O-N 3.09Å; V141-K144 VanDerWaalsContact O-N 3.07Å; P142-K144 VanDerWaalsContact C-N 3.28Å; P142-K144 PolarHBondContact O-N 3.21Å
145	L	97.5	Very high	97.8	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.026	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-34.1	176.3	-72.2	-173.6	0	0	0	112.1	L56 I117 F136 E138 Y140 G143 A147 M148 G149 L150	L56-L145 HydrophobicContact CD2-CD1 4.28Å; I117-L145 HydrophobicContact CD1-CD2 4.18Å; F136-L145 HydrophobicContact CE1-CD1 4.26Å; E138-L145 HydrophobicContact CB-CD1 3.72Å; E138-L145 HydrophobicContact CG-CD1 3.63Å; Y140-L145 HydrophobicContact CD1-CD2 4.38Å; Y140-L145 HydrophobicContact CD2-CD1 3.79Å; Y140-L145 HydrophobicContact CD2-CD2 4.1Å; Y140-L145 HydrophobicContact CD2-CG 3.89Å; Y140-L145 HydrophobicContact CE1-CD2 4.43Å; Y140-L145 HydrophobicContact CE2-CD1 4.25Å; Y140-L145 HydrophobicContact CE2-CD2 4.19Å; Y140-L145 HydrophobicContact CE2-CG 4.43Å; Y140-L145 HydrophobicContact CG-CD1 4.36Å; Y140-L145 HydrophobicContact CG-CD2 4.21Å; Y140-L145 HydrophobicContact CG-CG 3.98Å; G143-L145 PolarHBondContact O-N 3.32Å; L145-A147 VanDerWaalsContact C-N 3.27Å; L145-A147 PolarHBondContact O-N 3.3Å; L145-M148 HydrophobicContact CD2-SD 4.36Å; L145-M148 CarbonylContact O-C 3.52Å; L145-M148 WeakPolarHBondContact O-CA 3.41Å; L145-M148 WeakPolarHBondContact O-CB 3.48Å; L145-M148 PolarHBondContact O-N 3.09Å; L145-G149 PolarHBondContact O-N 2.86Å; L145-L150 HydrophobicContact CB-CB 4Å; L145-L150 HydrophobicContact CD2-CB 4.33Å; L145-L150 HydrophobicContact CD2-CD1 4.25Å; L145-L150 PolarHBondContact O-N 3.24Å
146	S	97.2	Very high	97.8	Very high	65 Å²	65	38.5 Å²	38.5	46%	0.455	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-58.4	-39.6	173.3	-48.2	0	0	0	0	111.9	G143 M148 G149	G143-S146 PolarHBondContact O-N 3Å; S146-M148 PolarHBondContact O-N 3.13Å; S146-M148 VanDerWaalsContact O-N 3.15Å; S146-G149 PolarHBondContact O-N 2.98Å
147	A	97.6	Very high	97.8	Very high	90 Å²	90	45.8 Å²	45.8	74%	0.744	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-63.4	-18.4	174.5	0	0	0	0	0	113.9	G143 L145	G143-A147 PolarHBondContact O-N 2.81Å; L145-A147 VanDerWaalsContact C-N 3.27Å; L145-A147 PolarHBondContact O-N 3.3Å
148	M	97.4	Very high	97.7	Very high	49 Å²	49	49.4 Å²	49.4	24%	0.241	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-99.2	2.9	174.2	-59.5	175.9	179.5	0	0	112.2	I117 V123 L145 S146 L150	I117-M148 HydrophobicContact CD1-SD 4.29Å; I117-M148 HydrophobicContact CG1-SD 4.4Å; V123-M148 WeakPolarHBondContact CG1-O 3.36Å; V123-M148 HydrophobicContact CG2-CB 4.49Å; L145-M148 HydrophobicContact CD2-SD 4.36Å; L145-M148 CarbonylContact O-C 3.52Å; L145-M148 WeakPolarHBondContact O-CA 3.41Å; L145-M148 WeakPolarHBondContact O-CB 3.48Å; L145-M148 PolarHBondContact O-N 3.09Å; S146-M148 PolarHBondContact O-N 3.13Å; S146-M148 VanDerWaalsContact O-N 3.15Å; M148-L150 VanDerWaalsContact C-N 3.32Å; M148-L150 HydrophobicContact CB-CD1 4.42Å; M148-L150 HydrophobicContact CB-CG 4.46Å
149	G	98	Very high	97.7	Very high	17 Å²	17	49 Å²	49	18%	0.175	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.9	25.6	-174.4	0	0	0	0	0	113.8	K127 L145 S146 D154	K127-G149 WeakPolarHBondContact CE-O 3.46Å; K127-G149 PolarHBondContact NZ-O 2.71Å; L145-G149 PolarHBondContact O-N 2.86Å; S146-G149 PolarHBondContact O-N 2.98Å; G149-D154 WeakPolarHBondContact CA-OD2 3.48Å; G149-D154 WeakPolarHBondContact O-CB 3.4Å
150	L	98.6	Very high	97.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.283	C	S	.	.			trans	-114.4	10.9	179.8	-66	176.2	0	0	0	112.4	V123 I126 K127 L145 M148 I155 Y164	V123-L150 HydrophobicContact CG1-CD2 3.93Å; V123-L150 HydrophobicContact CG1-CG 4.08Å; V123-L150 HydrophobicContact CG2-CD1 4.42Å; I126-L150 HydrophobicContact CB-CD1 4.34Å; I126-L150 HydrophobicContact CB-CD2 3.94Å; I126-L150 HydrophobicContact CG2-CD1 4.12Å; I126-L150 HydrophobicContact CG2-CD2 3.69Å; K127-L150 HydrophobicContact CG-CD2 3.86Å; L145-L150 HydrophobicContact CB-CB 4Å; L145-L150 HydrophobicContact CD2-CB 4.33Å; L145-L150 HydrophobicContact CD2-CD1 4.25Å; L145-L150 PolarHBondContact O-N 3.24Å; M148-L150 VanDerWaalsContact C-N 3.32Å; M148-L150 HydrophobicContact CB-CD1 4.42Å; M148-L150 HydrophobicContact CB-CG 4.46Å; L150-I155 HydrophobicContact CD2-CD1 4.1Å; L150-Y164 PolarHBondContact O-OH 2.75Å
151	G	98.4	Very high	97.7	Very high	2 Å²	2	50 Å²	50	2%	0.021	28%	0.282	C	S	.	.	S	Bend	trans	-72.9	168.1	175.4	0	0	0	0	0	111.9	E153 D154 I155	G151-E153 VanDerWaalsContact C-N 3.33Å; G151-E153 PolarHBondContact O-N 2.82Å; G151-D154 WeakPolarHBondContact O-CB 3.35Å; G151-D154 PolarHBondContact O-N 2.83Å; G151-I155 WeakPolarHBondContact O-CG1 3.15Å; G151-I155 PolarHBondContact O-N 3.22Å
152	Y	98.6	Very high	97.8	Very high	48 Å²	48	47.2 Å²	47.2	19%	0.188	27%	0.265	C	S	.	.	H	α-helix	trans	-50.9	-49.6	-178.1	175	-113.9	0	0	0	113.2	D154 I155 D156 Y164 F238	Y152-D154 PolarHBondContact O-N 3.12Å; Y152-I155 PolarHBondContact O-N 3.13Å; Y152-I155 VanDerWaalsContact O-N 3.15Å; Y152-D156 HydrophobicContact CE2-CB 4.31Å; Y152-D156 WeakPolarHBondContact O-CB 3.44Å; Y152-D156 PolarHBondContact O-N 3.34Å; Y152-Y164 VanDerWaalsContact CD2-CB 3.42Å; Y152-Y164 HydrophobicContact CD2-CD2 4.22Å; Y152-Y164 AromaticContact CD2-CG 3.85Å; Y152-Y164 HydrophobicContact CD2-CG 3.85Å; Y152-Y164 HydrophobicContact CG-CG 4.48Å; Y152-F238 HydrophobicContact CD1-CB 3.79Å; Y152-F238 HydrophobicContact CD1-CD2 4.14Å; Y152-F238 HydrophobicContact CD1-CG 4.11Å; Y152-F238 HydrophobicContact CD2-CB 3.91Å; Y152-F238 AromaticContact CD2-CD2 3.82Å; Y152-F238 HydrophobicContact CD2-CD2 3.82Å; Y152-F238 HydrophobicContact CD2-CG 4.31Å; Y152-F238 HydrophobicContact CE1-CB 3.73Å; Y152-F238 HydrophobicContact CE2-CB 3.81Å; Y152-F238 HydrophobicContact CG-CB 3.86Å; Y152-F238 AromaticContact CG-CD2 3.54Å; Y152-F238 HydrophobicContact CG-CD2 3.54Å; Y152-F238 HydrophobicContact CG-CE2 4.4Å; Y152-F238 AromaticContact CG-CG 3.97Å; Y152-F238 HydrophobicContact CG-CG 3.97Å
153	E	98.2	Very high	97.9	Very high	126 Å²	126	46.8 Å²	46.8	59%	0.589	26%	0.263	S	S	*	.	H	α-helix	trans	-62.1	-25.5	-179.6	-61.2	-59.6	158.5	0	0	113.8	G151 K157	G151-E153 VanDerWaalsContact C-N 3.33Å; G151-E153 PolarHBondContact O-N 2.82Å; E153-K157 VanDerWaalsContact O-CD 3.31Å; E153-K157 WeakPolarHBondContact O-CD 3.45Å; E153-K157 WeakPolarHBondContact O-CE 3.48Å; E153-K157 VanDerWaalsContact O-CG 3.32Å; E153-K157 WeakPolarHBondContact O-CG 3.28Å
154	D	98.3	Very high	98.1	Very high	43 Å²	43	45.1 Å²	45.1	23%	0.23	24%	0.244	C	C	.	.	H	α-helix	trans	-83.2	-39.1	176.4	-61.7	-57.2	0	0	0	111.6	G149 G151 Y152 K157	G149-D154 WeakPolarHBondContact CA-OD2 3.48Å; G149-D154 WeakPolarHBondContact O-CB 3.4Å; G151-D154 WeakPolarHBondContact O-CB 3.35Å; G151-D154 PolarHBondContact O-N 2.83Å; Y152-D154 PolarHBondContact O-N 3.12Å; D154-K157 IonicContact OD1-NZ 2.98Å
155	I	98.6	Very high	98.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-73.1	-39.1	178.7	-59.4	-58.5	0	0	0	110.9	K127 A130 F136 L150 G151 Y152 K157 I158 A159 I162 Y164	K127-I155 HydrophobicContact CG-CD1 4.26Å; A130-I155 HydrophobicContact CB-CD1 4.2Å; A130-I155 HydrophobicContact CB-CG2 3.89Å; F136-I155 HydrophobicContact CE2-CD1 4.4Å; L150-I155 HydrophobicContact CD2-CD1 4.1Å; G151-I155 WeakPolarHBondContact O-CG1 3.15Å; G151-I155 PolarHBondContact O-N 3.22Å; Y152-I155 PolarHBondContact O-N 3.13Å; Y152-I155 VanDerWaalsContact O-N 3.15Å; I155-K157 VanDerWaalsContact C-N 3.25Å; I155-K157 PolarHBondContact O-N 3.03Å; I155-I158 HydrophobicContact CD1-CD1 4.32Å; I155-I158 WeakPolarHBondContact O-CG1 3.3Å; I155-I158 PolarHBondContact O-N 3.3Å; I155-A159 HydrophobicContact CG2-CB 4.24Å; I155-A159 PolarHBondContact O-N 3.43Å; I155-I162 HydrophobicContact CG2-CD1 3.84Å; I155-I162 HydrophobicContact CG2-CG2 3.92Å; I155-Y164 HydrophobicContact CB-CD2 4.3Å; I155-Y164 HydrophobicContact CB-CE2 4.47Å; I155-Y164 HydrophobicContact CG1-CD2 4.34Å; I155-Y164 HydrophobicContact CG1-CE2 4.05Å
156	D	98.3	Very high	98.2	Very high	48 Å²	48	39.4 Å²	39.4	26%	0.257	22%	0.219	S	C	.	.	H	α-helix	trans	-59.1	-36.3	179.3	-174.2	63.7	0	0	0	112.1	Y152 I158 A159 P160	Y152-D156 HydrophobicContact CE2-CB 4.31Å; Y152-D156 WeakPolarHBondContact O-CB 3.44Å; Y152-D156 PolarHBondContact O-N 3.34Å; D156-I158 VanDerWaalsContact C-N 3.26Å; D156-I158 PolarHBondContact O-N 2.88Å; D156-A159 CarbonylContact O-C 3.53Å; D156-A159 PolarHBondContact O-N 3.35Å; D156-P160 VanDerWaalsContact O-CA 3.31Å; D156-P160 WeakPolarHBondContact O-CA 3.32Å; D156-P160 WeakPolarHBondContact O-CB 3.33Å; D156-P160 VanDerWaalsContact O-CD 3.31Å; D156-P160 WeakPolarHBondContact O-CD 3.33Å; D156-P160 VanDerWaalsContact O-N 3.09Å; D156-P160 WeakPolarHBondContact OD1-CA 3.32Å
157	K	98	Very high	98.3	Very high	152 Å²	152	36.6 Å²	36.6	66%	0.661	20%	0.199	S	C	*	.	H	α-helix	trans	-59.5	-33.7	175.6	-69.9	166	-169.1	158.1	0	113.4	E153 D154 I155	E153-K157 VanDerWaalsContact O-CD 3.31Å; E153-K157 WeakPolarHBondContact O-CD 3.45Å; E153-K157 WeakPolarHBondContact O-CE 3.48Å; E153-K157 VanDerWaalsContact O-CG 3.32Å; E153-K157 WeakPolarHBondContact O-CG 3.28Å; D154-K157 IonicContact OD1-NZ 2.98Å; I155-K157 VanDerWaalsContact C-N 3.25Å; I155-K157 PolarHBondContact O-N 3.03Å
158	I	97.7	Very high	98.3	Very high	76 Å²	76	32.7 Å²	32.7	39%	0.39	17%	0.166	S	C	.	.	H	α-helix	trans	-101.8	-22.9	-177.8	63.4	169.7	0	0	0	112.7	K127 I155 D156	K127-I158 HydrophobicContact CB-CD1 3.51Å; K127-I158 HydrophobicContact CD-CD1 4.28Å; K127-I158 HydrophobicContact CG-CD1 3.8Å; K127-I158 WeakPolarHBondContact O-CD1 3.38Å; I155-I158 HydrophobicContact CD1-CD1 4.32Å; I155-I158 WeakPolarHBondContact O-CG1 3.3Å; I155-I158 PolarHBondContact O-N 3.3Å; D156-I158 VanDerWaalsContact C-N 3.26Å; D156-I158 PolarHBondContact O-N 2.88Å
159	A	98.1	Very high	98.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.158	C	C	.	.			trans	-141.6	65.5	-174.4	0	0	0	0	0	110.9	I155 D156 H161 I162	I155-A159 HydrophobicContact CG2-CB 4.24Å; I155-A159 PolarHBondContact O-N 3.43Å; D156-A159 CarbonylContact O-C 3.53Å; D156-A159 PolarHBondContact O-N 3.35Å; A159-H161 PolarHBondContact O-N 2.98Å; A159-I162 HydrophobicContact CB-CB 4.12Å; A159-I162 HydrophobicContact CB-CD1 4.3Å; A159-I162 HydrophobicContact CB-CG2 4.42Å; A159-I162 VanDerWaalsContact O-CB 3.28Å; A159-I162 WeakPolarHBondContact O-CB 2.78Å; A159-I162 VanDerWaalsContact O-CG2 3.22Å; A159-I162 WeakPolarHBondContact O-CG2 3.41Å; A159-I162 PolarHBondContact O-N 2.96Å
160	P	97.9	Very high	98.4	Very high	74 Å²	74	31 Å²	31	48%	0.481	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-0.7	-175.1	27.9	-37.1	0	0	0	114.6	D156 G236	D156-P160 VanDerWaalsContact O-CA 3.31Å; D156-P160 WeakPolarHBondContact O-CA 3.32Å; D156-P160 WeakPolarHBondContact O-CB 3.33Å; D156-P160 VanDerWaalsContact O-CD 3.31Å; D156-P160 WeakPolarHBondContact O-CD 3.33Å; D156-P160 VanDerWaalsContact O-N 3.09Å; D156-P160 WeakPolarHBondContact OD1-CA 3.32Å; P160-G236 PolarHBondContact O-N 3.48Å
161	H	97.9	Very high	98.3	Very high	34 Å²	34	31.2 Å²	31.2	16%	0.157	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-4	177.7	65.6	-74.7	0	0	0	111.9	C133 A159 K230	C133-H161 PolarHBondContact O-NE2 3.46Å; A159-H161 PolarHBondContact O-N 2.98Å; H161-K230 WeakPolarHBondContact O-CD 3.46Å; H161-K230 WeakPolarHBondContact O-CE 3.42Å; H161-K230 PolarHBondContact O-NZ 2.93Å
162	I	98.6	Very high	98.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.166	C	C	.	.			trans	-80.3	139.8	-170.9	-152.4	163.5	0	0	0	111.6	A130 F136 I155 A159 G236 L237	A130-I162 HydrophobicContact CB-CD1 3.93Å; A130-I162 WeakPolarHBondContact O-CD1 3.46Å; F136-I162 HydrophobicContact CB-CD1 3.62Å; F136-I162 HydrophobicContact CB-CG1 4.09Å; F136-I162 HydrophobicContact CD2-CD1 4.37Å; F136-I162 HydrophobicContact CG-CD1 4.49Å; I155-I162 HydrophobicContact CG2-CD1 3.84Å; I155-I162 HydrophobicContact CG2-CG2 3.92Å; A159-I162 HydrophobicContact CB-CB 4.12Å; A159-I162 HydrophobicContact CB-CD1 4.3Å; A159-I162 HydrophobicContact CB-CG2 4.42Å; A159-I162 VanDerWaalsContact O-CB 3.28Å; A159-I162 WeakPolarHBondContact O-CB 2.78Å; A159-I162 VanDerWaalsContact O-CG2 3.22Å; A159-I162 WeakPolarHBondContact O-CG2 3.41Å; A159-I162 PolarHBondContact O-N 2.96Å; I162-G236 CarbonylContact O-C 3.5Å; I162-G236 WeakPolarHBondContact O-CA 3.29Å; I162-L237 PolarHBondContact O-N 2.98Å; I162-L237 VanDerWaalsContact O-N 3.13Å
163	I	98.9	Very high	98.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	107.1	165.7	-62.3	148.7	0	0	0	106.6	D134 V135 F136 L227 K230 L237 I239	D134-I163 PolarHBondContact O-N 2.91Å; V135-I163 CarbonylContact C-O 3.52Å; V135-I163 VanDerWaalsContact CA-O 3.3Å; V135-I163 WeakPolarHBondContact CA-O 3.4Å; V135-I163 HydrophobicContact CG1-CB 4.39Å; V135-I163 HydrophobicContact CG1-CG2 4.5Å; V135-I163 WeakPolarHBondContact CG1-O 3.5Å; V135-I163 HydrophobicContact CG2-CB 4.39Å; V135-I163 HydrophobicContact CG2-CD1 4.33Å; F136-I163 PolarHBondContact N-O 3.17Å; I163-L227 HydrophobicContact CD1-CB 4.14Å; I163-L227 HydrophobicContact CD1-CD2 3.51Å; I163-L227 HydrophobicContact CD1-CG 3.6Å; I163-K230 HydrophobicContact CD1-CB 4.34Å; I163-K230 HydrophobicContact CD1-CD 4.22Å; I163-L237 HydrophobicContact CG2-CD1 4.47Å; I163-I239 HydrophobicContact CG2-CD1 3.53Å; I163-I239 HydrophobicContact CG2-CG1 4.19Å
164	Y	98.9	Very high	98.1	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.016	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	115.8	178.8	-169.3	-66.6	0	0	0	109	F136 E138 L150 Y152 I155 L237 F238 I239	F136-Y164 HydrophobicContact CB-CD2 4.06Å; F136-Y164 HydrophobicContact CB-CG 4.47Å; F136-Y164 AromaticContact CD1-CD2 3.73Å; F136-Y164 HydrophobicContact CD1-CD2 3.73Å; F136-Y164 HydrophobicContact CD1-CE1 4.4Å; F136-Y164 AromaticContact CD1-CE2 3.44Å; F136-Y164 HydrophobicContact CD1-CE2 3.44Å; F136-Y164 VanDerWaalsContact CD1-CE2 3.44Å; F136-Y164 HydrophobicContact CD1-CG 4.35Å; F136-Y164 AromaticContact CD1-CZ 3.81Å; F136-Y164 HydrophobicContact CE1-CD2 4.35Å; F136-Y164 AromaticContact CE1-CE2 3.61Å; F136-Y164 HydrophobicContact CE1-CE2 3.61Å; F136-Y164 AromaticContact CE1-CZ 3.81Å; F136-Y164 AromaticContact CG-CD2 3.96Å; F136-Y164 HydrophobicContact CG-CD2 3.96Å; F136-Y164 HydrophobicContact CG-CE2 4.02Å; F136-Y164 HydrophobicContact CZ-CE2 4.3Å; F136-Y164 CarbonylContact O-C 3.6Å; F136-Y164 WeakPolarHBondContact O-CA 3.49Å; E138-Y164 HydrophobicContact CG-CE1 3.78Å; E138-Y164 WeakPolarHBondContact CG-OH 3.41Å; L150-Y164 PolarHBondContact O-OH 2.75Å; Y152-Y164 VanDerWaalsContact CD2-CB 3.42Å; Y152-Y164 HydrophobicContact CD2-CD2 4.22Å; Y152-Y164 AromaticContact CD2-CG 3.85Å; Y152-Y164 HydrophobicContact CD2-CG 3.85Å; Y152-Y164 HydrophobicContact CG-CG 4.48Å; I155-Y164 HydrophobicContact CB-CD2 4.3Å; I155-Y164 HydrophobicContact CB-CE2 4.47Å; I155-Y164 HydrophobicContact CG1-CD2 4.34Å; I155-Y164 HydrophobicContact CG1-CE2 4.05Å; Y164-L237 PolarHBondContact N-O 3.03Å; Y164-F238 AromaticContact CD1-CD2 3.59Å; Y164-F238 HydrophobicContact CD1-CD2 3.59Å; Y164-F238 AromaticContact CD1-CE2 3.47Å; Y164-F238 HydrophobicContact CD1-CE2 3.47Å; Y164-F238 VanDerWaalsContact CD1-CE2 3.47Å; Y164-F238 HydrophobicContact CE1-CD2 4.33Å; Y164-F238 AromaticContact CE1-CE2 3.79Å; Y164-F238 HydrophobicContact CE1-CE2 3.79Å; Y164-F238 HydrophobicContact CG-CD2 4.16Å; Y164-F238 HydrophobicContact CG-CE2 4.43Å; Y164-F238 CarbonylContact O-C 3.49Å; Y164-F238 WeakPolarHBondContact O-CA 3.36Å; Y164-I239 PolarHBondContact O-N 2.7Å
165	C	98.9	Very high	98	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	115.4	177.5	-176.5	0	0	0	0	111	F136 V137 E138 I223 I239	F136-C165 PolarHBondContact O-N 2.86Å; V137-C165 WeakPolarHBondContact CA-O 3.39Å; V137-C165 HydrophobicContact CG1-CB 4.17Å; V137-C165 HydrophobicContact CG2-CB 4.39Å; E138-C165 PolarHBondContact N-O 3.35Å; C165-I223 HydrophobicContact CB-CD1 4.09Å; C165-I223 HydrophobicContact CB-CG1 4.04Å; C165-I239 HydrophobicContact CB-CB 4.12Å; C165-I239 HydrophobicContact CB-CD1 4.28Å
166	S	98.8	Very high	97.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	126.4	171.8	-170.7	0	0	0	0	109.6	E138 Q172 I239 C241	E138-S166 WeakPolarHBondContact OE1-CA 3.4Å; E138-S166 WeakPolarHBondContact OE1-CB 3.38Å; E138-S166 PolarHBondContact OE1-OG 2.83Å; S166-Q172 PolarHBondContact OG-NE2 2.8Å; S166-I239 PolarHBondContact N-O 3.1Å; S166-C241 PolarHBondContact O-N 3.3Å; S166-C241 VanDerWaalsContact O-O 3.07Å
167	I	98.8	Very high	97.8	Very high	6 Å²	6	37.9 Å²	37.9	3%	0.031	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	109.6	177	-58.2	172.3	0	0	0	109.3	A61 V137 E138 N139 T215 A219 C241	A61-I167 HydrophobicContact CB-CG2 4.14Å; V137-I167 HydrophobicContact CG1-CD1 4.14Å; E138-I167 PolarHBondContact O-N 3.01Å; N139-I167 WeakPolarHBondContact CA-O 3.49Å; N139-I167 HydrophobicContact CB-CB 4.03Å; N139-I167 WeakPolarHBondContact CB-O 3.36Å; I167-T215 HydrophobicContact CG2-CG2 3.65Å; I167-A219 HydrophobicContact CD1-CB 3.7Å; I167-A219 HydrophobicContact CG1-CB 4.18Å; I167-C241 CarbonylContact C-O 3.6Å; I167-C241 VanDerWaalsContact CA-O 3.24Å; I167-C241 WeakPolarHBondContact CA-O 3.44Å; I167-C241 HydrophobicContact CG1-CB 4.3Å
168	T	98.4	Very high	97.7	Very high	8 Å²	8	36.7 Å²	36.7	5%	0.049	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	173.5	-174	64.5	0	0	0	0	113.1	P142 G171 C241 N242 L243	P142-T168 HydrophobicContact CG-CG2 3.99Å; T168-G171 VanDerWaalsContact OG1-CA 3.26Å; T168-G171 WeakPolarHBondContact OG1-CA 3.42Å; T168-G171 PolarHBondContact OG1-N 3.09Å; T168-C241 PolarHBondContact N-O 3.35Å; T168-N242 CarbonylContact O-C 3.56Å; T168-N242 WeakPolarHBondContact O-CA 3.03Å; T168-N242 VanDerWaalsContact O-CB 3.26Å; T168-N242 WeakPolarHBondContact O-CB 3.28Å; T168-L243 PolarHBondContact O-N 3.07Å
169	G	98	Very high	97.5	Very high	7 Å²	7	40.5 Å²	40.5	7%	0.072	23%	0.226	C	C	.	.	S	Bend	trans	-67.2	-45	176.4	0	0	0	0	0	113.1	L243 L244	G169-L243 PolarHBondContact O-N 3.33Å; G169-L244 PolarHBondContact O-N 3.5Å
170	Y	98.1	Very high	97.2	Very high	23 Å²	23	44 Å²	44	9%	0.09	26%	0.255	C	S	.	.	S	Bend	trans	-137.3	9	-165.6	-55.6	-77.4	0	0	0	114.6	I176 R179 V189 L244	Y170-I176 HydrophobicContact CD1-CD1 3.37Å; Y170-I176 HydrophobicContact CD1-CG1 4.09Å; Y170-I176 HydrophobicContact CD2-CD1 4.35Å; Y170-I176 HydrophobicContact CD2-CG1 4.46Å; Y170-I176 HydrophobicContact CE1-CD1 3.78Å; Y170-I176 HydrophobicContact CG-CD1 3.69Å; Y170-I176 HydrophobicContact CG-CG1 3.89Å; Y170-R179 HydrophobicContact CD2-CB 3.91Å; Y170-R179 HydrophobicContact CE2-CB 3.72Å; Y170-V189 HydrophobicContact CE1-CG1 4.25Å; Y170-L244 HydrophobicContact CD1-CB 3.89Å; Y170-L244 HydrophobicContact CD1-CD2 3.88Å; Y170-L244 HydrophobicContact CD1-CG 4.43Å; Y170-L244 HydrophobicContact CE1-CB 4.46Å
171	G	97.5	Very high	96.9	Very high	4 Å²	4	41.8 Å²	41.8	4%	0.041	25%	0.246	C	C	.	.			trans	98.6	166.3	-178.2	0	0	0	0	0	113.3	T168 T173 S177 N242	T168-G171 VanDerWaalsContact OG1-CA 3.26Å; T168-G171 WeakPolarHBondContact OG1-CA 3.42Å; T168-G171 PolarHBondContact OG1-N 3.09Å; G171-T173 PolarHBondContact O-N 3.31Å; G171-S177 WeakPolarHBondContact O-CB 3.05Å; G171-N242 VanDerWaalsContact N-CB 3.27Å
172	Q	97.4	Very high	96.7	Very high	48 Å²	48	45.8 Å²	45.8	22%	0.224	26%	0.26	C	S	.	.	S	Bend	trans	-69.6	-21.7	-180	-66.7	-50	-66.3	0	0	113.8	S166 F238 D240	S166-Q172 PolarHBondContact OG-NE2 2.8Å; Q172-F238 HydrophobicContact CG-CE1 3.7Å; Q172-F238 HydrophobicContact CG-CZ 3.6Å; Q172-D240 HydrophobicContact CG-CB 4.23Å; Q172-D240 PolarHBondContact N-OD1 2.95Å; Q172-D240 PolarHBondContact N-OD2 2.75Å
173	T	96.4	Very high	96.6	Very high	113 Å²	113	46 Å²	46	69%	0.693	26%	0.261	S	S	*	.	S	Bend	trans	-133.7	171.8	-171.9	67	0	0	0	0	111.5	G171	G171-T173 PolarHBondContact O-N 3.31Å
174	G	96.3	Very high	96.5	Very high	45 Å²	45	47.4 Å²	47.4	46%	0.464	27%	0.273	S	S	.	.	S	Bend	trans	94.1	176.4	179.2	0	0	0	0	0	114.2	I176 S177	G174-I176 VanDerWaalsContact C-N 3.26Å; G174-I176 PolarHBondContact O-N 3.28Å; G174-I176 VanDerWaalsContact O-N 3.16Å; G174-S177 WeakPolarHBondContact O-CB 3.26Å; G174-S177 PolarHBondContact O-N 3.16Å; G174-S177 PolarHBondContact O-OG 3.09Å
175	P	96.6	Very high	96.4	Very high	138 Å²	138	50.7 Å²	50.7	90%	0.896	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-21.9	-160.9	25.4	-35.5	0	0	0	114.6
176	I	95.8	Very high	96.3	Very high	48 Å²	48	50.7 Å²	50.7	25%	0.246	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.8	13.9	-177.6	62	170.8	0	0	0	113.1	Y170 G174 Q178 R179	Y170-I176 HydrophobicContact CD1-CD1 3.37Å; Y170-I176 HydrophobicContact CD1-CG1 4.09Å; Y170-I176 HydrophobicContact CD2-CD1 4.35Å; Y170-I176 HydrophobicContact CD2-CG1 4.46Å; Y170-I176 HydrophobicContact CE1-CD1 3.78Å; Y170-I176 HydrophobicContact CG-CD1 3.69Å; Y170-I176 HydrophobicContact CG-CG1 3.89Å; G174-I176 VanDerWaalsContact C-N 3.26Å; G174-I176 PolarHBondContact O-N 3.28Å; G174-I176 VanDerWaalsContact O-N 3.16Å; I176-Q178 PolarHBondContact O-N 2.73Å; I176-R179 HydrophobicContact CB-CG 4.25Å; I176-R179 WeakPolarHBondContact O-CB 3.25Å; I176-R179 PolarHBondContact O-N 3.04Å
177	S	96.4	Very high	96.2	Very high	15 Å²	15	50.7 Å²	50.7	11%	0.105	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-35.2	-179.7	50.2	0	0	0	0	113.7	P142 G171 G174 R179	P142-S177 WeakPolarHBondContact CD-O 3.4Å; P142-S177 WeakPolarHBondContact CG-O 3.31Å; G171-S177 WeakPolarHBondContact O-CB 3.05Å; G174-S177 WeakPolarHBondContact O-CB 3.26Å; G174-S177 PolarHBondContact O-N 3.16Å; G174-S177 PolarHBondContact O-OG 3.09Å; S177-R179 VanDerWaalsContact C-N 3.26Å; S177-R179 PolarHBondContact O-N 2.71Å
178	Q	95.8	Very high	96.1	Very high	128 Å²	128	52.7 Å²	52.7	60%	0.598	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-3	-179	-63.3	-61.1	-45.5	0	0	114.1	P142 I176	P142-Q178 PolarHBondContact O-NE2 2.87Å; P142-Q178 PolarHBondContact O-OE1 3.34Å; I176-Q178 PolarHBondContact O-N 2.73Å
179	R	94.5	Very high	96	Very high	156 Å²	156	56.3 Å²	56.3	59%	0.589	33%	0.333	S	S	*	.	S	Bend	trans	-79	138.2	177.6	-65.5	-171	-178.6	-178.2	-2.1	110.5	Y170 I176 S177	Y170-R179 HydrophobicContact CD2-CB 3.91Å; Y170-R179 HydrophobicContact CE2-CB 3.72Å; I176-R179 HydrophobicContact CB-CG 4.25Å; I176-R179 WeakPolarHBondContact O-CB 3.25Å; I176-R179 PolarHBondContact O-N 3.04Å; S177-R179 VanDerWaalsContact C-N 3.26Å; S177-R179 PolarHBondContact O-N 2.71Å
180	A	91.6	Very high	96	Very high	72 Å²	72	56.5 Å²	56.5	60%	0.595	33%	0.333	S	S	*	.			trans	-62.4	145	168.9	0	0	0	0	0	110.8
181	G	90.9	Very high	95.9	Very high	28 Å²	28	56.4 Å²	56.4	29%	0.289	34%	0.339	S	S	.	.			trans	-116.9	131.3	178.1	0	0	0	0	0	111.4
182	Y	94.8	Very high	95.9	Very high	118 Å²	118	57.3 Å²	57.3	46%	0.463	34%	0.343	S	S	.	.			trans	-127.4	149.5	162.8	-87.6	-64.9	0	0	0	108.4	I59 W91 A184 V185 A186	I59-Y182 HydrophobicContact CD1-CE1 3.74Å; W91-Y182 AromaticContact CH2-CE1 3.96Å; W91-Y182 HydrophobicContact CH2-CE1 3.96Å; W91-Y182 HydrophobicContact CZ2-CE1 4.46Å; Y182-A184 VanDerWaalsContact C-N 3.34Å; Y182-A184 PolarHBondContact O-N 3.21Å; Y182-V185 PolarHBondContact O-N 2.75Å; Y182-A186 PolarHBondContact O-N 2.8Å
183	D	96.9	Very high	95.9	Very high	4 Å²	4	57 Å²	57	2%	0.021	34%	0.342	C	S	.	.	H	α-helix	trans	-43.1	-54.1	179.5	174.4	95.5	0	0	0	113.9	V185 A186 S187 R205 A209 M210 T211 D212	D183-V185 VanDerWaalsContact C-N 3.27Å; D183-V185 PolarHBondContact O-N 3.18Å; D183-A186 PolarHBondContact O-N 3.14Å; D183-S187 WeakPolarHBondContact O-CB 3.02Å; D183-S187 PolarHBondContact O-N 3.3Å; D183-R205 IonicContact OD2-CZ 2.71Å; D183-R205 IonicContact OD2-NE 2.73Å; D183-R205 PolarHBondContact OD2-NE 3.22Å; D183-R205 VanDerWaalsContact OD2-NE 3.08Å; D183-R205 IonicContact OD2-NH2 2.96Å; D183-R205 PolarHBondContact OD2-NH2 3.26Å; D183-A209 HydrophobicContact CB-CB 3.87Å; D183-A209 VanDerWaalsContact CG-CB 3.47Å; D183-A209 WeakPolarHBondContact OD1-CA 3.45Å; D183-A209 WeakPolarHBondContact OD1-CB 3.44Å; D183-A209 WeakPolarHBondContact OD2-CA 3.49Å; D183-M210 PolarHBondContact OD1-N 3.12Å; D183-T211 VanDerWaalsContact OD1-CA 3.25Å; D183-T211 WeakPolarHBondContact OD1-CA 3.47Å; D183-T211 WeakPolarHBondContact OD1-CB 3.08Å; D183-T211 PolarHBondContact OD1-N 2.87Å; D183-D212 HydrophobicContact CB-CB 4.37Å; D183-D212 WeakPolarHBondContact CB-OD2 3.3Å; D183-D212 PolarHBondContact OD1-N 3.32Å
184	A	96.3	Very high	95.9	Very high	30 Å²	30	55.7 Å²	55.7	25%	0.248	33%	0.327	C	S	.	.	H	α-helix	trans	-60.4	-38.8	-175.9	0	0	0	0	0	112.5	Y182 A188 M193	Y182-A184 VanDerWaalsContact C-N 3.34Å; Y182-A184 PolarHBondContact O-N 3.21Å; A184-A188 WeakPolarHBondContact O-CB 3.46Å; A184-A188 PolarHBondContact O-N 3.01Å; A184-M193 WeakPolarHBondContact O-CE 3.22Å
185	V	96.6	Very high	95.9	Very high	73 Å²	73	55 Å²	55	44%	0.442	31%	0.313	S	S	.	.	H	α-helix	trans	-71.5	-45.7	179.1	-176.6	0	0	0	0	109.8	Y182 D183 S187 A188 V189	Y182-V185 PolarHBondContact O-N 2.75Å; D183-V185 VanDerWaalsContact C-N 3.27Å; D183-V185 PolarHBondContact O-N 3.18Å; V185-S187 VanDerWaalsContact C-N 3.33Å; V185-S187 PolarHBondContact O-N 2.97Å; V185-A188 PolarHBondContact O-N 2.63Å; V185-V189 HydrophobicContact CG1-CG2 4.35Å; V185-V189 VanDerWaalsContact O-CG2 3.31Å; V185-V189 WeakPolarHBondContact O-CG2 3.42Å; V185-V189 PolarHBondContact O-N 3.05Å
186	A	96.6	Very high	95.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.9	-40.3	177.3	0	0	0	0	0	111.8	Y182 D183 A188 V189 S190 T211 L243	Y182-A186 PolarHBondContact O-N 2.8Å; D183-A186 PolarHBondContact O-N 3.14Å; A186-A188 VanDerWaalsContact C-N 3.35Å; A186-A188 PolarHBondContact O-N 3.11Å; A186-V189 PolarHBondContact O-N 2.81Å; A186-S190 WeakPolarHBondContact O-CB 3.16Å; A186-S190 PolarHBondContact O-N 3.42Å; A186-S190 PolarHBondContact O-OG 2.91Å; A186-T211 HydrophobicContact CB-CG2 3.92Å; A186-L243 HydrophobicContact CB-CB 3.56Å; A186-L243 HydrophobicContact CB-CD1 4.01Å; A186-L243 HydrophobicContact CB-CG 4.44Å
187	S	96.8	Very high	95.9	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.007	28%	0.275	C	S	.	.	H	α-helix	trans	-60.8	-40.1	173.7	176.8	0	0	0	0	112.5	D183 V185 S190 G191 L192 M193	D183-S187 WeakPolarHBondContact O-CB 3.02Å; D183-S187 PolarHBondContact O-N 3.3Å; V185-S187 VanDerWaalsContact C-N 3.33Å; V185-S187 PolarHBondContact O-N 2.97Å; S187-S190 WeakPolarHBondContact CA-OG 3.22Å; S187-S190 PolarHBondContact O-OG 3.03Å; S187-G191 PolarHBondContact O-N 3.14Å; S187-L192 PolarHBondContact O-N 2.83Å; S187-M193 PolarHBondContact O-N 3.33Å
188	A	96.9	Very high	95.9	Very high	48 Å²	48	51 Å²	51	40%	0.397	29%	0.292	S	S	.	.	H	α-helix	trans	-67.6	-50.9	174.3	0	0	0	0	0	111.9	A184 V185 A186 S190 G191 M193	A184-A188 WeakPolarHBondContact O-CB 3.46Å; A184-A188 PolarHBondContact O-N 3.01Å; V185-A188 PolarHBondContact O-N 2.63Å; A186-A188 VanDerWaalsContact C-N 3.35Å; A186-A188 PolarHBondContact O-N 3.11Å; A188-S190 VanDerWaalsContact C-N 3.31Å; A188-S190 PolarHBondContact O-N 3.23Å; A188-G191 PolarHBondContact O-N 3.25Å; A188-M193 HydrophobicContact CB-CB 4.46Å; A188-M193 HydrophobicContact CB-CE 4.14Å; A188-M193 HydrophobicContact CB-SD 4.23Å
189	V	96.8	Very high	95.8	Very high	83 Å²	83	48.4 Å²	48.4	50%	0.503	28%	0.279	S	S	.	.	H	α-helix	trans	-63	-37.4	-177.8	173.4	0	0	0	0	112.1	Y170 V185 A186 G191 L244	Y170-V189 HydrophobicContact CE1-CG1 4.25Å; V185-V189 HydrophobicContact CG1-CG2 4.35Å; V185-V189 VanDerWaalsContact O-CG2 3.31Å; V185-V189 WeakPolarHBondContact O-CG2 3.42Å; V185-V189 PolarHBondContact O-N 3.05Å; A186-V189 PolarHBondContact O-N 2.81Å; V189-G191 VanDerWaalsContact C-N 3.33Å; V189-L244 HydrophobicContact CG1-CD1 4.02Å
190	S	96.6	Very high	95.6	Very high	11 Å²	11	48.8 Å²	48.8	8%	0.077	29%	0.293	C	S	.	.	H	α-helix	trans	-79.7	-10.9	-179.7	58	0	0	0	0	114.1	A186 S187 A188 Q247 L251	A186-S190 WeakPolarHBondContact O-CB 3.16Å; A186-S190 PolarHBondContact O-N 3.42Å; A186-S190 PolarHBondContact O-OG 2.91Å; S187-S190 WeakPolarHBondContact CA-OG 3.22Å; S187-S190 PolarHBondContact O-OG 3.03Å; A188-S190 VanDerWaalsContact C-N 3.31Å; A188-S190 PolarHBondContact O-N 3.23Å; S190-Q247 WeakPolarHBondContact OG-CB 3.29Å; S190-Q247 WeakPolarHBondContact OG-CG 3.44Å; S190-L251 VanDerWaalsContact O-CD1 3.24Å; S190-L251 WeakPolarHBondContact O-CD1 3.45Å
191	G	96.8	Very high	95.7	Very high	21 Å²	21	46.4 Å²	46.4	22%	0.216	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.6	-1.3	177.7	0	0	0	0	0	115.9	S187 A188 V189 M193 H194 I195	S187-G191 PolarHBondContact O-N 3.14Å; A188-G191 PolarHBondContact O-N 3.25Å; V189-G191 VanDerWaalsContact C-N 3.33Å; G191-M193 VanDerWaalsContact C-N 3.33Å; G191-M193 PolarHBondContact O-N 3.42Å; G191-H194 WeakPolarHBondContact O-CB 3.45Å; G191-H194 PolarHBondContact O-N 3.15Å; G191-I195 PolarHBondContact O-N 3.1Å
192	L	97.5	Very high	96	Very high	24 Å²	24	52.4 Å²	52.4	13%	0.126	30%	0.296	C	S	.	.	H	α-helix	trans	-60.4	-43.8	175.9	176.9	65.9	0	0	0	111.5	S187 H194 I195 T196 P206 M210 Q247 L251	S187-L192 PolarHBondContact O-N 2.83Å; L192-H194 VanDerWaalsContact C-N 3.28Å; L192-H194 PolarHBondContact O-N 3.24Å; L192-I195 HydrophobicContact CD1-CD1 4.41Å; L192-I195 HydrophobicContact CD1-CG1 4.5Å; L192-I195 WeakPolarHBondContact O-CG1 3.28Å; L192-I195 PolarHBondContact O-N 3.48Å; L192-T196 WeakPolarHBondContact O-CB 3.31Å; L192-T196 PolarHBondContact O-N 2.89Å; L192-T196 PolarHBondContact O-OG1 3.48Å; L192-P206 HydrophobicContact CD2-CG 3.86Å; L192-P206 HydrophobicContact CG-CG 4.36Å; L192-M210 HydrophobicContact CD2-CB 4.49Å; L192-Q247 HydrophobicContact CB-CG 4.08Å; L192-L251 HydrophobicContact CB-CD2 4.44Å; L192-L251 HydrophobicContact CD1-CD2 4.46Å
193	M	96.4	Very high	96	Very high	40 Å²	40	49.5 Å²	49.5	20%	0.197	29%	0.292	C	S	.	.	H	α-helix	trans	-65.3	-34.3	180	-163.6	177.1	-66.6	0	0	111.8	A184 S187 A188 G191 I195 T196 P203 R205	A184-M193 WeakPolarHBondContact O-CE 3.22Å; S187-M193 PolarHBondContact O-N 3.33Å; A188-M193 HydrophobicContact CB-CB 4.46Å; A188-M193 HydrophobicContact CB-CE 4.14Å; A188-M193 HydrophobicContact CB-SD 4.23Å; G191-M193 VanDerWaalsContact C-N 3.33Å; G191-M193 PolarHBondContact O-N 3.42Å; M193-I195 VanDerWaalsContact C-N 3.28Å; M193-I195 PolarHBondContact O-N 3.23Å; M193-T196 PolarHBondContact O-N 2.87Å; M193-P203 HydrophobicContact CG-CB 4.01Å; M193-R205 HydrophobicContact CE-CB 4.17Å; M193-R205 HydrophobicContact CE-CG 4.35Å
194	H	96	Very high	96	Very high	86 Å²	86	52.3 Å²	52.3	40%	0.398	31%	0.309	S	S	.	.	H	α-helix	trans	-60.5	-37.8	179	177.7	69.6	0	0	0	112.5	G191 L192 R267	G191-H194 WeakPolarHBondContact O-CB 3.45Å; G191-H194 PolarHBondContact O-N 3.15Å; L192-H194 VanDerWaalsContact C-N 3.28Å; L192-H194 PolarHBondContact O-N 3.24Å; H194-R267 WeakPolarHBondContact O-CG 3.09Å; H194-R267 PolarHBondContact O-NH1 3.42Å
195	I	96.3	Very high	95.9	Very high	31 Å²	31	56.1 Å²	56.1	16%	0.159	32%	0.317	C	S	.	.	H	α-helix	trans	-92.9	-1.5	-177.4	65.5	165.9	0	0	0	113.6	G191 L192 M193 L251 I254 A265	G191-I195 PolarHBondContact O-N 3.1Å; L192-I195 HydrophobicContact CD1-CD1 4.41Å; L192-I195 HydrophobicContact CD1-CG1 4.5Å; L192-I195 WeakPolarHBondContact O-CG1 3.28Å; L192-I195 PolarHBondContact O-N 3.48Å; M193-I195 VanDerWaalsContact C-N 3.28Å; M193-I195 PolarHBondContact O-N 3.23Å; I195-L251 HydrophobicContact CD1-CD2 3.79Å; I195-I254 HydrophobicContact CD1-CD1 3.56Å; I195-I254 HydrophobicContact CD1-CG2 4.24Å; I195-I254 HydrophobicContact CG2-CG2 4.46Å; I195-A265 HydrophobicContact CG2-CB 3.46Å; I195-A265 VanDerWaalsContact CG2-CB 3.46Å
196	T	97.3	Very high	95.8	Very high	35 Å²	35	54.1 Å²	54.1	22%	0.215	31%	0.305	C	S	.	.	S	Bend	trans	-107	127.7	-176.9	-55.4	0	0	0	0	110.4	L192 M193 V204 P206 R267	L192-T196 WeakPolarHBondContact O-CB 3.31Å; L192-T196 PolarHBondContact O-N 2.89Å; L192-T196 PolarHBondContact O-OG1 3.48Å; M193-T196 PolarHBondContact O-N 2.87Å; T196-V204 WeakPolarHBondContact CB-O 3.47Å; T196-V204 HydrophobicContact CG2-CG2 3.83Å; T196-V204 PolarHBondContact O-N 3.16Å; T196-P206 HydrophobicContact CG2-CG 4.33Å; T196-R267 WeakPolarHBondContact O-CD 3.45Å
197	G	96.9	Very high	95.6	Very high	12 Å²	12	58.7 Å²	58.7	12%	0.124	35%	0.353	C	S	.	.	S	Bend	trans	132.6	-177.4	176.4	0	0	0	0	0	113.2	V204 R267 G269	G197-V204 VanDerWaalsContact CA-CG2 3.48Å; G197-R267 WeakPolarHBondContact O-CB 3.31Å; G197-G269 WeakPolarHBondContact O-CA 3.41Å; G197-G269 PolarHBondContact O-N 2.88Å
198	P	96.1	Very high	95.6	Very high	71 Å²	71	61.9 Å²	61.9	46%	0.461	37%	0.372	S	S	.	.			trans	-60.9	146.6	174.6	-18.7	31.9	0	0	0	111.5	D200 G201 R267	P198-D200 VanDerWaalsContact C-N 3.33Å; P198-D200 PolarHBondContact O-N 2.9Å; P198-G201 PolarHBondContact O-N 3.06Å; P198-G201 VanDerWaalsContact O-N 3.08Å; P198-R267 VanDerWaalsContact O-CB 3.29Å; P198-R267 WeakPolarHBondContact O-CB 3.49Å; P198-R267 PolarHBondContact O-NE 2.96Å
199	E	92.4	Very high	95.6	Very high	72 Å²	72	59.9 Å²	59.9	34%	0.336	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-47	-174.6	-178.1	166.5	-175.2	0	0	112.8	K266 R267	E199-K266 IonicContact OE1-NZ 2.62Å; E199-K266 PolarHBondContact OE1-NZ 3.36Å; E199-R267 WeakPolarHBondContact CA-O 3.14Å
200	D	91.1	Very high	95.6	Very high	164 Å²	164	60 Å²	60	88%	0.877	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	16.7	178.9	-56.9	-50.4	0	0	0	112.8	P198	P198-D200 VanDerWaalsContact C-N 3.33Å; P198-D200 PolarHBondContact O-N 2.9Å
201	G	94.3	Very high	95.7	Very high	22 Å²	22	59.6 Å²	59.6	23%	0.227	35%	0.348	C	S	.	.	S	Bend	trans	-101.8	176.5	-178.1	0	0	0	0	0	113.7	P198 R267	P198-G201 PolarHBondContact O-N 3.06Å; P198-G201 VanDerWaalsContact O-N 3.08Å; G201-R267 PolarHBondContact O-NE 3.22Å; G201-R267 PolarHBondContact O-NH2 3.15Å
202	E	95.8	Very high	95.8	Very high	155 Å²	155	59.3 Å²	59.3	72%	0.724	34%	0.342	S	S	*	.			trans	-64.1	152	171.9	-66.4	-57.8	141.4	0	0	112	V204	E202-V204 PolarHBondContact O-N 3.41Å
203	P	95.9	Very high	95.8	Very high	57 Å²	57	59.9 Å²	59.9	37%	0.37	35%	0.345	S	S	.	.			trans	-55.1	137.2	168.7	-23.5	34.3	0	0	0	111.5	M193	M193-P203 HydrophobicContact CG-CB 4.01Å
204	V	96	Very high	95.9	Very high	63 Å²	63	58.6 Å²	58.6	38%	0.382	34%	0.341	S	S	.	.			trans	-124.3	149.7	176	-50.1	0	0	0	0	111	T196 G197 E202	T196-V204 WeakPolarHBondContact CB-O 3.47Å; T196-V204 HydrophobicContact CG2-CG2 3.83Å; T196-V204 PolarHBondContact O-N 3.16Å; G197-V204 VanDerWaalsContact CA-CG2 3.48Å; E202-V204 PolarHBondContact O-N 3.41Å
205	R	94.1	Very high	96	Very high	110 Å²	110	54.5 Å²	54.5	42%	0.415	32%	0.322	S	S	.	.			trans	-79.4	140.8	171	-169.4	-173	172.2	-179.5	-6.4	109.6	D183 M193	D183-R205 IonicContact OD2-CZ 2.71Å; D183-R205 IonicContact OD2-NE 2.73Å; D183-R205 PolarHBondContact OD2-NE 3.22Å; D183-R205 VanDerWaalsContact OD2-NE 3.08Å; D183-R205 IonicContact OD2-NH2 2.96Å; D183-R205 PolarHBondContact OD2-NH2 3.26Å; M193-R205 HydrophobicContact CE-CB 4.17Å; M193-R205 HydrophobicContact CE-CG 4.35Å
206	P	94.4	Very high	96.1	Very high	30 Å²	30	53 Å²	53	20%	0.195	31%	0.314	C	S	.	.			trans	-51.9	147.6	164.4	-24.5	33	0	0	0	111.9	L192 T196 V208 M210	L192-P206 HydrophobicContact CD2-CG 3.86Å; L192-P206 HydrophobicContact CG-CG 4.36Å; T196-P206 HydrophobicContact CG2-CG 4.33Å; P206-V208 PolarHBondContact O-N 3.41Å; P206-M210 HydrophobicContact CB-CB 4.39Å
207	G	94.1	Very high	96.2	Very high	97 Å²	97	55.9 Å²	55.9	100%	1	33%	0.327	S	S	*	.	S	Bend	trans	-66.5	-4.8	-174.3	0	0	0	0	0	115.8
208	V	95.7	Very high	96.3	Very high	68 Å²	68	60.7 Å²	60.7	41%	0.412	34%	0.343	S	S	.	.	S	Bend	trans	-134.5	159.3	172.3	67.8	0	0	0	0	108.6	P206 M210 L213	P206-V208 PolarHBondContact O-N 3.41Å; V208-M210 HydrophobicContact CG1-CE 3.74Å; V208-M210 PolarHBondContact O-N 3.4Å; V208-L213 HydrophobicContact CG1-CD1 4.03Å; V208-L213 HydrophobicContact CG2-CD1 3.75Å
209	A	96.9	Very high	96.4	Very high	6 Å²	6	57.3 Å²	57.3	5%	0.05	32%	0.321	C	S	.	.			trans	-69.2	75	174.7	0	0	0	0	0	111.7	L60 D183 T211 D212 L213	L60-A209 HydrophobicContact CD2-CB 3.47Å; L60-A209 VanDerWaalsContact CD2-CB 3.47Å; D183-A209 HydrophobicContact CB-CB 3.87Å; D183-A209 VanDerWaalsContact CG-CB 3.47Å; D183-A209 WeakPolarHBondContact OD1-CA 3.45Å; D183-A209 WeakPolarHBondContact OD1-CB 3.44Å; D183-A209 WeakPolarHBondContact OD2-CA 3.49Å; A209-T211 VanDerWaalsContact C-N 3.35Å; A209-T211 PolarHBondContact O-N 3.47Å; A209-D212 HydrophobicContact CB-CB 4.15Å; A209-D212 PolarHBondContact O-N 3.34Å; A209-L213 WeakPolarHBondContact O-CG 3.36Å; A209-L213 PolarHBondContact O-N 3.44Å
210	M	97.2	Very high	96.7	Very high	86 Å²	86	56.1 Å²	56.1	42%	0.424	31%	0.314	S	S	.	.	H	α-helix	trans	-67.3	-33.1	-172.1	-170.8	57.6	67.4	0	0	113.1	D183 L192 P206 V208 L213 A214	D183-M210 PolarHBondContact OD1-N 3.12Å; L192-M210 HydrophobicContact CD2-CB 4.49Å; P206-M210 HydrophobicContact CB-CB 4.39Å; V208-M210 HydrophobicContact CG1-CE 3.74Å; V208-M210 PolarHBondContact O-N 3.4Å; M210-L213 PolarHBondContact O-N 2.96Å; M210-A214 VanDerWaalsContact O-CB 3.24Å; M210-A214 WeakPolarHBondContact O-CB 3.3Å; M210-A214 PolarHBondContact O-N 2.95Å
211	T	98.2	Very high	97.1	Very high	1 Å²	1	50 Å²	50	1%	0.006	29%	0.29	C	S	.	.	H	α-helix	trans	-66.4	-45.1	175.1	-59.9	0	0	0	0	110.5	D183 A186 A209 L213 A214 T215 L243 Q247	D183-T211 VanDerWaalsContact OD1-CA 3.25Å; D183-T211 WeakPolarHBondContact OD1-CA 3.47Å; D183-T211 WeakPolarHBondContact OD1-CB 3.08Å; D183-T211 PolarHBondContact OD1-N 2.87Å; A186-T211 HydrophobicContact CB-CG2 3.92Å; A209-T211 VanDerWaalsContact C-N 3.35Å; A209-T211 PolarHBondContact O-N 3.47Å; T211-L213 PolarHBondContact O-N 2.82Å; T211-A214 PolarHBondContact O-N 2.77Å; T211-T215 WeakPolarHBondContact O-CB 3.15Å; T211-T215 PolarHBondContact O-N 3.49Å; T211-T215 PolarHBondContact O-OG1 3.02Å; T211-T215 VanDerWaalsContact O-OG1 3.06Å; T211-L243 HydrophobicContact CG2-CB 3.85Å; T211-L243 HydrophobicContact CG2-CD2 4.23Å; T211-Q247 HydrophobicContact CG2-CB 3.78Å; T211-Q247 HydrophobicContact CG2-CG 4.29Å; T211-Q247 WeakPolarHBondContact OG1-CG 3.34Å; T211-Q247 PolarHBondContact OG1-OE1 2.96Å
212	D	98.4	Very high	97.3	Very high	15 Å²	15	50.6 Å²	50.6	8%	0.08	29%	0.292	C	S	.	.	H	α-helix	trans	-61.2	-45.2	175.5	-81.7	-20.9	0	0	0	111.6	L60 A61 D183 A209 T215 G216 L243	L60-D212 HydrophobicContact CB-CB 3.97Å; L60-D212 HydrophobicContact CD2-CB 3.62Å; L60-D212 HydrophobicContact CG-CB 3.79Å; A61-D212 WeakPolarHBondContact CA-O 3.49Å; A61-D212 HydrophobicContact CB-CB 4.06Å; A61-D212 VanDerWaalsContact CB-O 3.3Å; A61-D212 WeakPolarHBondContact CB-O 3.4Å; D183-D212 HydrophobicContact CB-CB 4.37Å; D183-D212 WeakPolarHBondContact CB-OD2 3.3Å; D183-D212 PolarHBondContact OD1-N 3.32Å; A209-D212 HydrophobicContact CB-CB 4.15Å; A209-D212 PolarHBondContact O-N 3.34Å; D212-T215 PolarHBondContact O-N 2.89Å; D212-G216 PolarHBondContact O-N 2.77Å; D212-L243 WeakPolarHBondContact OD1-CD2 3.43Å
213	L	98.4	Very high	97.5	Very high	36 Å²	36	43.2 Å²	43.2	19%	0.188	26%	0.258	C	S	.	.	H	α-helix	trans	-62.3	-45.1	178	-69.4	177.4	0	0	0	111.8	L60 F64 V208 A209 M210 T211 G216 L217	L60-L213 HydrophobicContact CD1-CD2 4.15Å; L60-L213 HydrophobicContact CD2-CD2 4.29Å; L60-L213 HydrophobicContact CD2-CG 4.36Å; L60-L213 HydrophobicContact CG-CD2 4.38Å; F64-L213 HydrophobicContact CD1-CD2 3.95Å; F64-L213 HydrophobicContact CD2-CD2 3.81Å; F64-L213 HydrophobicContact CE1-CD2 4.01Å; F64-L213 HydrophobicContact CE2-CD2 3.88Å; F64-L213 HydrophobicContact CG-CD2 3.86Å; F64-L213 HydrophobicContact CZ-CD2 3.98Å; V208-L213 HydrophobicContact CG1-CD1 4.03Å; V208-L213 HydrophobicContact CG2-CD1 3.75Å; A209-L213 WeakPolarHBondContact O-CG 3.36Å; A209-L213 PolarHBondContact O-N 3.44Å; M210-L213 PolarHBondContact O-N 2.96Å; T211-L213 PolarHBondContact O-N 2.82Å; L213-G216 PolarHBondContact O-N 2.86Å; L213-L217 WeakPolarHBondContact O-CG 3.47Å; L213-L217 PolarHBondContact O-N 2.77Å
214	A	98.4	Very high	97.6	Very high	13 Å²	13	42.7 Å²	42.7	11%	0.107	25%	0.251	C	S	.	.	H	α-helix	trans	-62.3	-45.6	176.9	0	0	0	0	0	111.6	M210 T211 G216 L217 Y218	M210-A214 VanDerWaalsContact O-CB 3.24Å; M210-A214 WeakPolarHBondContact O-CB 3.3Å; M210-A214 PolarHBondContact O-N 2.95Å; T211-A214 PolarHBondContact O-N 2.77Å; A214-G216 VanDerWaalsContact C-N 3.31Å; A214-G216 PolarHBondContact O-N 3.1Å; A214-L217 PolarHBondContact O-N 3.26Å; A214-L217 VanDerWaalsContact O-N 3.16Å; A214-Y218 WeakPolarHBondContact O-CD2 3.2Å; A214-Y218 PolarHBondContact O-N 3.32Å
215	T	98.8	Very high	97.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61.9	-40	175.2	-62.1	0	0	0	0	111.8	A61 I167 T211 D212 L217 Y218 A219 L243 S246	A61-T215 HydrophobicContact CB-CG2 4.35Å; I167-T215 HydrophobicContact CG2-CG2 3.65Å; T211-T215 WeakPolarHBondContact O-CB 3.15Å; T211-T215 PolarHBondContact O-N 3.49Å; T211-T215 PolarHBondContact O-OG1 3.02Å; T211-T215 VanDerWaalsContact O-OG1 3.06Å; D212-T215 PolarHBondContact O-N 2.89Å; T215-L217 VanDerWaalsContact C-N 3.31Å; T215-L217 PolarHBondContact O-N 3.05Å; T215-Y218 PolarHBondContact O-N 3.27Å; T215-A219 WeakPolarHBondContact O-CB 3.49Å; T215-A219 PolarHBondContact O-N 2.79Å; T215-L243 HydrophobicContact CG2-CD2 3.98Å; T215-L243 WeakPolarHBondContact OG1-CA 3.1Å; T215-L243 WeakPolarHBondContact OG1-CD2 3.43Å; T215-S246 WeakPolarHBondContact OG1-CB 3.37Å; T215-S246 PolarHBondContact OG1-OG 2.99Å
216	G	98.7	Very high	97.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59.3	-40.3	173.7	0	0	0	0	0	112.7	A61 A65 D212 L213 A214 A219 Y220	A61-G216 WeakPolarHBondContact O-CA 3.31Å; A65-G216 VanDerWaalsContact CB-O 3.29Å; A65-G216 WeakPolarHBondContact CB-O 3.19Å; D212-G216 PolarHBondContact O-N 2.77Å; L213-G216 PolarHBondContact O-N 2.86Å; A214-G216 VanDerWaalsContact C-N 3.31Å; A214-G216 PolarHBondContact O-N 3.1Å; G216-A219 PolarHBondContact O-N 3.44Å; G216-Y220 VanDerWaalsContact O-CB 3.26Å; G216-Y220 WeakPolarHBondContact O-CB 3.45Å; G216-Y220 PolarHBondContact O-N 3.25Å
217	L	98.6	Very high	98.1	Very high	95 Å²	95	37 Å²	37	50%	0.497	23%	0.233	S	C	.	.	H	α-helix	trans	-69.3	-38.4	175.4	-68.5	174	0	0	0	112.7	F64 L213 A214 T215 G221	F64-L217 HydrophobicContact CE1-CD2 3.89Å; F64-L217 HydrophobicContact CE1-CG 4.04Å; L213-L217 WeakPolarHBondContact O-CG 3.47Å; L213-L217 PolarHBondContact O-N 2.77Å; A214-L217 PolarHBondContact O-N 3.26Å; A214-L217 VanDerWaalsContact O-N 3.16Å; T215-L217 VanDerWaalsContact C-N 3.31Å; T215-L217 PolarHBondContact O-N 3.05Å; L217-G221 PolarHBondContact O-N 3.45Å
218	Y	98.8	Very high	98.3	Very high	114 Å²	114	37.1 Å²	37.1	45%	0.447	21%	0.21	S	C	.	.	H	α-helix	trans	-63.5	-44.8	172.1	-85.5	-68.1	0	0	0	111.8	A214 T215 G221 A222 A249	A214-Y218 WeakPolarHBondContact O-CD2 3.2Å; A214-Y218 PolarHBondContact O-N 3.32Å; T215-Y218 PolarHBondContact O-N 3.27Å; Y218-G221 PolarHBondContact O-N 3.14Å; Y218-A222 WeakPolarHBondContact O-CB 3.5Å; Y218-A222 PolarHBondContact O-N 3.37Å; Y218-A249 HydrophobicContact CE2-CB 4.46Å; Y218-A249 WeakPolarHBondContact OH-CB 3.47Å
219	A	98.9	Very high	98.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.9	-44.9	176.7	0	0	0	0	0	111.5	A65 I167 T215 G216 G221 A222 I223	A65-A219 HydrophobicContact CB-CB 4.1Å; I167-A219 HydrophobicContact CD1-CB 3.7Å; I167-A219 HydrophobicContact CG1-CB 4.18Å; T215-A219 WeakPolarHBondContact O-CB 3.49Å; T215-A219 PolarHBondContact O-N 2.79Å; G216-A219 PolarHBondContact O-N 3.44Å; A219-G221 PolarHBondContact O-N 3.14Å; A219-A222 PolarHBondContact O-N 2.92Å; A219-I223 WeakPolarHBondContact O-CB 3.27Å; A219-I223 VanDerWaalsContact O-CG1 3.25Å; A219-I223 WeakPolarHBondContact O-CG1 3.19Å; A219-I223 PolarHBondContact O-N 2.81Å
220	Y	98.6	Very high	98.5	Very high	47 Å²	47	39.6 Å²	39.6	18%	0.184	22%	0.215	C	C	.	.	H	α-helix	trans	-53.5	-51.1	172.6	166.4	-91.9	0	0	0	111.4	N68 L69 L72 G216 A222 I223 M224	N68-Y220 HydrophobicContact CB-CD2 3.84Å; N68-Y220 HydrophobicContact CB-CE2 4.06Å; L69-Y220 HydrophobicContact CD2-CD2 3.56Å; L69-Y220 HydrophobicContact CD2-CE2 3.63Å; L69-Y220 HydrophobicContact CG-CD2 3.75Å; L69-Y220 HydrophobicContact CG-CE2 4.15Å; L72-Y220 HydrophobicContact CD1-CE2 4.02Å; L72-Y220 WeakPolarHBondContact CD1-OH 3.41Å; G216-Y220 VanDerWaalsContact O-CB 3.26Å; G216-Y220 WeakPolarHBondContact O-CB 3.45Å; G216-Y220 PolarHBondContact O-N 3.25Å; Y220-A222 PolarHBondContact O-N 3.45Å; Y220-I223 PolarHBondContact O-N 2.94Å; Y220-M224 HydrophobicContact CE1-CG 4.42Å; Y220-M224 HydrophobicContact CE2-CG 4.4Å; Y220-M224 VanDerWaalsContact O-CG 3.29Å; Y220-M224 WeakPolarHBondContact O-CG 3.46Å; Y220-M224 PolarHBondContact O-N 3.11Å
221	G	98.8	Very high	98.4	Very high	36 Å²	36	45.6 Å²	45.6	37%	0.371	24%	0.235	S	C	.	.	H	α-helix	trans	-63.8	-41.2	178.6	0	0	0	0	0	113.3	L217 Y218 A219 M224 A225	L217-G221 PolarHBondContact O-N 3.45Å; Y218-G221 PolarHBondContact O-N 3.14Å; A219-G221 PolarHBondContact O-N 3.14Å; G221-M224 PolarHBondContact O-N 3.26Å; G221-A225 PolarHBondContact O-N 3.25Å
222	A	98.9	Very high	98.3	Very high	34 Å²	34	53.4 Å²	53.4	28%	0.281	27%	0.269	S	S	.	.	H	α-helix	trans	-66.2	-40.6	178.3	0	0	0	0	0	112.1	Y218 A219 Y220 A225 G226 I239	Y218-A222 WeakPolarHBondContact O-CB 3.5Å; Y218-A222 PolarHBondContact O-N 3.37Å; A219-A222 PolarHBondContact O-N 2.92Å; Y220-A222 PolarHBondContact O-N 3.45Å; A222-A225 PolarHBondContact O-N 3.31Å; A222-G226 PolarHBondContact O-N 2.52Å; A222-I239 HydrophobicContact CB-CD1 3.95Å; A222-I239 HydrophobicContact CB-CG2 3.78Å; A222-I239 WeakPolarHBondContact O-CD1 3.41Å
223	I	98.9	Very high	98.3	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-63.4	-44.2	174.8	-69.8	163.6	0	0	0	110.3	L69 V135 V137 C165 A219 Y220 A225 G226 L227 I239	L69-I223 HydrophobicContact CD1-CB 4.21Å; L69-I223 HydrophobicContact CD1-CD1 3.87Å; L69-I223 HydrophobicContact CD1-CG2 3.74Å; L69-I223 HydrophobicContact CD2-CG2 4.45Å; V135-I223 HydrophobicContact CG1-CD1 4.22Å; V135-I223 HydrophobicContact CG1-CG1 4.22Å; V135-I223 HydrophobicContact CG1-CG2 3.87Å; V135-I223 HydrophobicContact CG2-CG2 3.94Å; V137-I223 HydrophobicContact CG2-CD1 3.91Å; C165-I223 HydrophobicContact CB-CD1 4.09Å; C165-I223 HydrophobicContact CB-CG1 4.04Å; A219-I223 WeakPolarHBondContact O-CB 3.27Å; A219-I223 VanDerWaalsContact O-CG1 3.25Å; A219-I223 WeakPolarHBondContact O-CG1 3.19Å; A219-I223 PolarHBondContact O-N 2.81Å; Y220-I223 PolarHBondContact O-N 2.94Å; I223-A225 VanDerWaalsContact C-N 3.33Å; I223-A225 PolarHBondContact O-N 3.1Å; I223-G226 CarbonylContact O-C 3.55Å; I223-G226 PolarHBondContact O-N 2.98Å; I223-G226 VanDerWaalsContact O-N 3.15Å; I223-L227 HydrophobicContact CG2-CD1 4.1Å; I223-L227 HydrophobicContact CG2-CG 4.41Å; I223-L227 WeakPolarHBondContact O-CG 3.47Å; I223-L227 PolarHBondContact O-N 2.81Å; I223-I239 HydrophobicContact CG1-CD1 3.99Å
224	M	98.6	Very high	98.1	Very high	45 Å²	45	57.3 Å²	57.3	22%	0.222	31%	0.305	C	S	.	.	H	α-helix	trans	-59.5	-43.1	175.4	-69.5	-61.7	-70.1	0	0	111.9	L48 L69 L72 Y220 G221 L227 I228	L48-M224 HydrophobicContact CD1-SD 3.84Å; L48-M224 HydrophobicContact CD2-CE 4.07Å; L48-M224 HydrophobicContact CD2-SD 3.87Å; L48-M224 HydrophobicContact CG-SD 4.31Å; L69-M224 HydrophobicContact CD2-CG 4.06Å; L69-M224 HydrophobicContact CD2-SD 3.66Å; L72-M224 HydrophobicContact CD1-CE 4.43Å; Y220-M224 HydrophobicContact CE1-CG 4.42Å; Y220-M224 HydrophobicContact CE2-CG 4.4Å; Y220-M224 VanDerWaalsContact O-CG 3.29Å; Y220-M224 WeakPolarHBondContact O-CG 3.46Å; Y220-M224 PolarHBondContact O-N 3.11Å; G221-M224 PolarHBondContact O-N 3.26Å; M224-L227 PolarHBondContact O-N 2.89Å; M224-L227 HydrophobicContact SD-CD1 4.3Å; M224-I228 WeakPolarHBondContact O-CG1 3.41Å; M224-I228 PolarHBondContact O-N 2.87Å; M224-I228 VanDerWaalsContact O-N 3.09Å
225	A	98.7	Very high	98.1	Very high	58 Å²	58	63.7 Å²	63.7	48%	0.479	33%	0.331	S	S	.	.	H	α-helix	trans	-62.4	-42	174.4	0	0	0	0	0	111.9	G221 A222 I223 I228 Q229	G221-A225 PolarHBondContact O-N 3.25Å; A222-A225 PolarHBondContact O-N 3.31Å; I223-A225 VanDerWaalsContact C-N 3.33Å; I223-A225 PolarHBondContact O-N 3.1Å; A225-I228 PolarHBondContact O-N 3.21Å; A225-Q229 PolarHBondContact O-N 3.01Å
226	G	98.7	Very high	98	Very high	2 Å²	2	64.5 Å²	64.5	2%	0.021	34%	0.339	C	S	.	.	H	α-helix	trans	-62.1	-40.8	175.2	0	0	0	0	0	112.9	A222 I223 I228 Q229 K230	A222-G226 PolarHBondContact O-N 2.52Å; I223-G226 CarbonylContact O-C 3.55Å; I223-G226 PolarHBondContact O-N 2.98Å; I223-G226 VanDerWaalsContact O-N 3.15Å; G226-I228 PolarHBondContact O-N 3.15Å; G226-Q229 PolarHBondContact O-N 3.17Å; G226-K230 WeakPolarHBondContact O-CB 3.34Å; G226-K230 PolarHBondContact O-N 2.94Å
227	L	98.6	Very high	98	Very high	24 Å²	24	66.2 Å²	66.2	13%	0.126	35%	0.348	C	S	.	.	H	α-helix	trans	-63.3	-42.7	176.5	-74.6	168.4	0	0	0	111.2	L48 V51 D134 V135 I163 I223 M224 Q229 K230 Y231	L48-L227 HydrophobicContact CD2-CD1 3.89Å; V51-L227 HydrophobicContact CG1-CD1 4.24Å; V51-L227 HydrophobicContact CG1-CD2 4.04Å; D134-L227 HydrophobicContact CB-CD2 4.41Å; V135-L227 HydrophobicContact CG2-CD2 3.95Å; V135-L227 HydrophobicContact CG2-CG 4.36Å; I163-L227 HydrophobicContact CD1-CB 4.14Å; I163-L227 HydrophobicContact CD1-CD2 3.51Å; I163-L227 HydrophobicContact CD1-CG 3.6Å; I223-L227 HydrophobicContact CG2-CD1 4.1Å; I223-L227 HydrophobicContact CG2-CG 4.41Å; I223-L227 WeakPolarHBondContact O-CG 3.47Å; I223-L227 PolarHBondContact O-N 2.81Å; M224-L227 PolarHBondContact O-N 2.89Å; M224-L227 HydrophobicContact SD-CD1 4.3Å; L227-Q229 VanDerWaalsContact C-N 3.33Å; L227-Q229 PolarHBondContact O-N 3.07Å; L227-K230 PolarHBondContact O-N 3.35Å; L227-Y231 PolarHBondContact O-N 2.86Å
228	I	98.3	Very high	98	Very high	100 Å²	100	65 Å²	65	51%	0.513	34%	0.339	S	S	.	.	H	α-helix	trans	-62.6	-41.6	174.7	-66.5	164.8	0	0	0	110.9	M224 A225 G226 Y231 K232	M224-I228 WeakPolarHBondContact O-CG1 3.41Å; M224-I228 PolarHBondContact O-N 2.87Å; M224-I228 VanDerWaalsContact O-N 3.09Å; A225-I228 PolarHBondContact O-N 3.21Å; G226-I228 PolarHBondContact O-N 3.15Å; I228-Y231 PolarHBondContact O-N 3.19Å; I228-K232 WeakPolarHBondContact O-CG 3.35Å; I228-K232 PolarHBondContact O-N 2.92Å
229	Q	98.1	Very high	98	Very high	99 Å²	99	60.4 Å²	60.4	46%	0.463	32%	0.322	S	S	.	.	H	α-helix	trans	-66.3	-47.4	177.8	-173.7	174.8	24.1	0	0	111.5	A225 G226 L227 Y231 K232 T233	A225-Q229 PolarHBondContact O-N 3.01Å; G226-Q229 PolarHBondContact O-N 3.17Å; L227-Q229 VanDerWaalsContact C-N 3.33Å; L227-Q229 PolarHBondContact O-N 3.07Å; Q229-Y231 VanDerWaalsContact C-N 3.25Å; Q229-Y231 PolarHBondContact O-N 3.02Å; Q229-K232 WeakPolarHBondContact O-CA 3.46Å; Q229-K232 WeakPolarHBondContact O-CB 3.24Å; Q229-K232 PolarHBondContact O-N 2.66Å; Q229-T233 HydrophobicContact CG-CG2 4.15Å; Q229-T233 PolarHBondContact O-N 2.84Å; Q229-T233 PolarHBondContact O-OG1 3.25Å; Q229-T233 VanDerWaalsContact O-OG1 3.1Å
230	K	97.6	Very high	98	Very high	26 Å²	26	63.6 Å²	63.6	11%	0.113	34%	0.339	C	S	.	.	H	α-helix	trans	-55.3	-41.3	175.9	178.3	-170	174.2	175.6	0	111.7	D134 H161 I163 G226 L227 K232 T233 G234 K235	D134-K230 VanDerWaalsContact CB-NZ 3.31Å; D134-K230 IonicContact OD1-NZ 3.73Å; D134-K230 PolarHBondContact OD1-NZ 3.34Å; H161-K230 WeakPolarHBondContact O-CD 3.46Å; H161-K230 WeakPolarHBondContact O-CE 3.42Å; H161-K230 PolarHBondContact O-NZ 2.93Å; I163-K230 HydrophobicContact CD1-CB 4.34Å; I163-K230 HydrophobicContact CD1-CD 4.22Å; G226-K230 WeakPolarHBondContact O-CB 3.34Å; G226-K230 PolarHBondContact O-N 2.94Å; L227-K230 PolarHBondContact O-N 3.35Å; K230-K232 PolarHBondContact O-N 2.78Å; K230-T233 PolarHBondContact O-N 2.8Å; K230-G234 VanDerWaalsContact O-CA 3.24Å; K230-G234 WeakPolarHBondContact O-CA 3.36Å; K230-G234 PolarHBondContact O-N 3.38Å; K230-K235 WeakPolarHBondContact CA-O 3.37Å
231	Y	95.4	Very high	98	Very high	213 Å²	213	62 Å²	62	84%	0.835	33%	0.334	S	S	*	.	H	α-helix	trans	-60.2	-33.7	175.8	-177.4	-97.9	0	0	0	112.7	L227 I228 Q229	L227-Y231 PolarHBondContact O-N 2.86Å; I228-Y231 PolarHBondContact O-N 3.19Å; Q229-Y231 VanDerWaalsContact C-N 3.25Å; Q229-Y231 PolarHBondContact O-N 3.02Å
232	K	96.6	Very high	98	Very high	165 Å²	165	60.9 Å²	60.9	72%	0.717	32%	0.32	S	S	*	.	H	α-helix	trans	-81	-34.8	178.9	-65.8	175.3	-179.7	-176.9	0	113.3	I228 Q229 K230	I228-K232 WeakPolarHBondContact O-CG 3.35Å; I228-K232 PolarHBondContact O-N 2.92Å; Q229-K232 WeakPolarHBondContact O-CA 3.46Å; Q229-K232 WeakPolarHBondContact O-CB 3.24Å; Q229-K232 PolarHBondContact O-N 2.66Å; K230-K232 PolarHBondContact O-N 2.78Å
233	T	97.3	Very high	98	Very high	78 Å²	78	59.6 Å²	59.6	48%	0.479	31%	0.308	S	S	.	.	H	α-helix	trans	-109.6	-18.2	-168.7	64.7	0	0	0	0	113.9	Q229 K230 K235	Q229-T233 HydrophobicContact CG-CG2 4.15Å; Q229-T233 PolarHBondContact O-N 2.84Å; Q229-T233 PolarHBondContact O-OG1 3.25Å; Q229-T233 VanDerWaalsContact O-OG1 3.1Å; K230-T233 PolarHBondContact O-N 2.8Å; T233-K235 PolarHBondContact O-N 2.93Å; T233-K235 PolarHBondContact OG1-N 3.3Å; T233-K235 VanDerWaalsContact OG1-N 3.09Å; T233-K235 PolarHBondContact OG1-O 3.31Å
234	G	96	Very high	98	Very high	54 Å²	54	61.6 Å²	61.6	56%	0.557	32%	0.319	S	S	*	.	S	Bend	trans	70.4	1.6	-167.5	0	0	0	0	0	114.5	K230	K230-G234 VanDerWaalsContact O-CA 3.24Å; K230-G234 WeakPolarHBondContact O-CA 3.36Å; K230-G234 PolarHBondContact O-N 3.38Å
235	K	96.8	Very high	97.9	Very high	148 Å²	148	62.8 Å²	62.8	64%	0.643	33%	0.331	S	S	*	.			trans	-112.3	145.4	-174.1	-64.4	-172.9	179.8	-174.5	0	112.2	K230 T233	K230-K235 WeakPolarHBondContact CA-O 3.37Å; T233-K235 PolarHBondContact O-N 2.93Å; T233-K235 PolarHBondContact OG1-N 3.3Å; T233-K235 VanDerWaalsContact OG1-N 3.09Å; T233-K235 PolarHBondContact OG1-O 3.31Å
236	G	97.9	Very high	97.9	Very high	17 Å²	17	60.3 Å²	60.3	18%	0.175	31%	0.31	C	S	.	.			trans	-74.2	-175.3	171.3	0	0	0	0	0	113.3	P160 I162	P160-G236 PolarHBondContact O-N 3.48Å; I162-G236 CarbonylContact O-C 3.5Å; I162-G236 WeakPolarHBondContact O-CA 3.29Å
237	L	98.6	Very high	97.9	Very high	35 Å²	35	60.4 Å²	60.4	18%	0.183	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	166	173.4	65.8	89.2	0	0	0	111.1	I162 I163 Y164 I239	I162-L237 PolarHBondContact O-N 2.98Å; I162-L237 VanDerWaalsContact O-N 3.13Å; I163-L237 HydrophobicContact CG2-CD1 4.47Å; Y164-L237 PolarHBondContact N-O 3.03Å; L237-I239 HydrophobicContact CD1-CB 4.49Å; L237-I239 HydrophobicContact CD1-CD1 4.1Å; L237-I239 HydrophobicContact CD1-CG1 3.29Å
238	F	98.8	Very high	97.9	Very high	71 Å²	71	62.5 Å²	62.5	31%	0.311	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	132.3	170.5	-175.6	-110	0	0	0	111.9	Y152 Y164 Q172 D240	Y152-F238 HydrophobicContact CD1-CB 3.79Å; Y152-F238 HydrophobicContact CD1-CD2 4.14Å; Y152-F238 HydrophobicContact CD1-CG 4.11Å; Y152-F238 HydrophobicContact CD2-CB 3.91Å; Y152-F238 AromaticContact CD2-CD2 3.82Å; Y152-F238 HydrophobicContact CD2-CD2 3.82Å; Y152-F238 HydrophobicContact CD2-CG 4.31Å; Y152-F238 HydrophobicContact CE1-CB 3.73Å; Y152-F238 HydrophobicContact CE2-CB 3.81Å; Y152-F238 HydrophobicContact CG-CB 3.86Å; Y152-F238 AromaticContact CG-CD2 3.54Å; Y152-F238 HydrophobicContact CG-CD2 3.54Å; Y152-F238 HydrophobicContact CG-CE2 4.4Å; Y152-F238 AromaticContact CG-CG 3.97Å; Y152-F238 HydrophobicContact CG-CG 3.97Å; Y164-F238 AromaticContact CD1-CD2 3.59Å; Y164-F238 HydrophobicContact CD1-CD2 3.59Å; Y164-F238 AromaticContact CD1-CE2 3.47Å; Y164-F238 HydrophobicContact CD1-CE2 3.47Å; Y164-F238 VanDerWaalsContact CD1-CE2 3.47Å; Y164-F238 HydrophobicContact CE1-CD2 4.33Å; Y164-F238 AromaticContact CE1-CE2 3.79Å; Y164-F238 HydrophobicContact CE1-CE2 3.79Å; Y164-F238 HydrophobicContact CG-CD2 4.16Å; Y164-F238 HydrophobicContact CG-CE2 4.43Å; Y164-F238 CarbonylContact O-C 3.49Å; Y164-F238 WeakPolarHBondContact O-CA 3.36Å; Q172-F238 HydrophobicContact CG-CE1 3.7Å; Q172-F238 HydrophobicContact CG-CZ 3.6Å; F238-D240 HydrophobicContact CE1-CB 3.9Å
239	I	98.9	Very high	97.9	Very high	17 Å²	17	60 Å²	60	9%	0.087	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	114.5	173.5	-55.2	174.5	0	0	0	108	I163 Y164 C165 S166 A222 I223 L237 C241	I163-I239 HydrophobicContact CG2-CD1 3.53Å; I163-I239 HydrophobicContact CG2-CG1 4.19Å; Y164-I239 PolarHBondContact O-N 2.7Å; C165-I239 HydrophobicContact CB-CB 4.12Å; C165-I239 HydrophobicContact CB-CD1 4.28Å; S166-I239 PolarHBondContact N-O 3.1Å; A222-I239 HydrophobicContact CB-CD1 3.95Å; A222-I239 HydrophobicContact CB-CG2 3.78Å; A222-I239 WeakPolarHBondContact O-CD1 3.41Å; I223-I239 HydrophobicContact CG1-CD1 3.99Å; L237-I239 HydrophobicContact CD1-CB 4.49Å; L237-I239 HydrophobicContact CD1-CD1 4.1Å; L237-I239 HydrophobicContact CD1-CG1 3.29Å; I239-C241 HydrophobicContact CG2-CB 4.34Å
240	D	98.4	Very high	97.9	Very high	67 Å²	67	58.1 Å²	58.1	36%	0.358	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	104.8	165.5	-172.3	5.8	0	0	0	109.2	Q172 F238	Q172-D240 HydrophobicContact CG-CB 4.23Å; Q172-D240 PolarHBondContact N-OD1 2.95Å; Q172-D240 PolarHBondContact N-OD2 2.75Å; F238-D240 HydrophobicContact CE1-CB 3.9Å
241	C	98.5	Very high	97.9	Very high	12 Å²	12	58 Å²	58	8%	0.081	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	138.2	175.1	-165.9	0	0	0	0	109	S166 I167 T168 I239	S166-C241 PolarHBondContact O-N 3.3Å; S166-C241 VanDerWaalsContact O-O 3.07Å; I167-C241 CarbonylContact C-O 3.6Å; I167-C241 VanDerWaalsContact CA-O 3.24Å; I167-C241 WeakPolarHBondContact CA-O 3.44Å; I167-C241 HydrophobicContact CG1-CB 4.3Å; T168-C241 PolarHBondContact N-O 3.35Å; I239-C241 HydrophobicContact CG2-CB 4.34Å
242	N	98.6	Very high	97.9	Very high	13 Å²	13	51.6 Å²	51.6	7%	0.07	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	155	-179.4	74	81.2	0	0	0	114.4	T168 G171 L244 S245 S246	T168-N242 CarbonylContact O-C 3.56Å; T168-N242 WeakPolarHBondContact O-CA 3.03Å; T168-N242 VanDerWaalsContact O-CB 3.26Å; T168-N242 WeakPolarHBondContact O-CB 3.28Å; G171-N242 VanDerWaalsContact N-CB 3.27Å; N242-L244 PolarHBondContact OD1-N 3.34Å; N242-S245 WeakPolarHBondContact ND2-CB 3.26Å; N242-S245 PolarHBondContact ND2-OG 3.09Å; N242-S245 WeakPolarHBondContact OD1-CB 3.25Å; N242-S245 PolarHBondContact OD1-N 2.84Å; N242-S245 PolarHBondContact OD1-OG 2.87Å; N242-S245 VanDerWaalsContact OD1-OG 3.12Å; N242-S246 WeakPolarHBondContact O-CB 3.38Å; N242-S246 PolarHBondContact O-N 3.15Å; N242-S246 VanDerWaalsContact O-N 3.08Å; N242-S246 PolarHBondContact O-OG 2.82Å
243	L	98.6	Very high	97.8	Very high	8 Å²	8	48.5 Å²	48.5	4%	0.042	29%	0.29	C	S	.	.	H	α-helix	trans	-60.9	-47.2	-175.9	-59.6	-176.6	0	0	0	111.9	A61 T168 G169 A186 T211 D212 T215 S246 Q247	A61-L243 HydrophobicContact CB-CD2 4.4Å; T168-L243 PolarHBondContact O-N 3.07Å; G169-L243 PolarHBondContact O-N 3.33Å; A186-L243 HydrophobicContact CB-CB 3.56Å; A186-L243 HydrophobicContact CB-CD1 4.01Å; A186-L243 HydrophobicContact CB-CG 4.44Å; T211-L243 HydrophobicContact CG2-CB 3.85Å; T211-L243 HydrophobicContact CG2-CD2 4.23Å; D212-L243 WeakPolarHBondContact OD1-CD2 3.43Å; T215-L243 HydrophobicContact CG2-CD2 3.98Å; T215-L243 WeakPolarHBondContact OG1-CA 3.1Å; T215-L243 WeakPolarHBondContact OG1-CD2 3.43Å; L243-S246 PolarHBondContact O-N 3.31Å; L243-Q247 WeakPolarHBondContact O-CB 3.45Å; L243-Q247 PolarHBondContact O-N 3.48Å
244	L	98.4	Very high	97.7	Very high	42 Å²	42	47.1 Å²	47.1	22%	0.22	28%	0.28	C	S	.	.	H	α-helix	trans	-59.8	-54.1	-178.6	177	62.3	0	0	0	111.9	G169 Y170 V189 N242 S246 Q247 V248	G169-L244 PolarHBondContact O-N 3.5Å; Y170-L244 HydrophobicContact CD1-CB 3.89Å; Y170-L244 HydrophobicContact CD1-CD2 3.88Å; Y170-L244 HydrophobicContact CD1-CG 4.43Å; Y170-L244 HydrophobicContact CE1-CB 4.46Å; V189-L244 HydrophobicContact CG1-CD1 4.02Å; N242-L244 PolarHBondContact OD1-N 3.34Å; L244-S246 VanDerWaalsContact C-N 3.33Å; L244-S246 PolarHBondContact O-N 3.43Å; L244-Q247 PolarHBondContact O-N 3.22Å; L244-V248 HydrophobicContact CD1-CG2 3.93Å; L244-V248 HydrophobicContact CG-CG2 4.47Å; L244-V248 WeakPolarHBondContact O-CB 3.32Å; L244-V248 VanDerWaalsContact O-CG2 3.32Å; L244-V248 WeakPolarHBondContact O-CG2 3.43Å; L244-V248 PolarHBondContact O-N 3.4Å
245	S	98.2	Very high	97.8	Very high	69 Å²	69	45.7 Å²	45.7	48%	0.483	26%	0.262	S	S	.	.	H	α-helix	trans	-61.2	-42.6	-179.2	-63.1	0	0	0	0	111.8	N242 A249	N242-S245 WeakPolarHBondContact ND2-CB 3.26Å; N242-S245 PolarHBondContact ND2-OG 3.09Å; N242-S245 WeakPolarHBondContact OD1-CB 3.25Å; N242-S245 PolarHBondContact OD1-N 2.84Å; N242-S245 PolarHBondContact OD1-OG 2.87Å; N242-S245 VanDerWaalsContact OD1-OG 3.12Å; S245-A249 WeakPolarHBondContact O-CB 3.39Å; S245-A249 PolarHBondContact O-N 3.09Å
246	S	98.4	Very high	97.8	Very high	6 Å²	6	40.1 Å²	40.1	4%	0.042	24%	0.244	C	C	.	.	H	α-helix	trans	-60.3	-47.5	177	-56.8	0	0	0	0	111	T215 N242 L243 L244 A249 C250	T215-S246 WeakPolarHBondContact OG1-CB 3.37Å; T215-S246 PolarHBondContact OG1-OG 2.99Å; N242-S246 WeakPolarHBondContact O-CB 3.38Å; N242-S246 PolarHBondContact O-N 3.15Å; N242-S246 VanDerWaalsContact O-N 3.08Å; N242-S246 PolarHBondContact O-OG 2.82Å; L243-S246 PolarHBondContact O-N 3.31Å; L244-S246 VanDerWaalsContact C-N 3.33Å; L244-S246 PolarHBondContact O-N 3.43Å; S246-A249 PolarHBondContact O-N 2.97Å; S246-C250 PolarHBondContact O-N 3.44Å; S246-C250 PolarHBondContact O-SG 3.13Å
247	Q	98.1	Very high	97.7	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.019	25%	0.253	C	S	.	.	H	α-helix	trans	-71.7	-38.9	-175.8	-170.1	52.4	61.1	0	0	112.8	S190 L192 T211 L243 L244 A249 C250 L251	S190-Q247 WeakPolarHBondContact OG-CB 3.29Å; S190-Q247 WeakPolarHBondContact OG-CG 3.44Å; L192-Q247 HydrophobicContact CB-CG 4.08Å; T211-Q247 HydrophobicContact CG2-CB 3.78Å; T211-Q247 HydrophobicContact CG2-CG 4.29Å; T211-Q247 WeakPolarHBondContact OG1-CG 3.34Å; T211-Q247 PolarHBondContact OG1-OE1 2.96Å; L243-Q247 WeakPolarHBondContact O-CB 3.45Å; L243-Q247 PolarHBondContact O-N 3.48Å; L244-Q247 PolarHBondContact O-N 3.22Å; Q247-A249 VanDerWaalsContact C-N 3.31Å; Q247-A249 PolarHBondContact O-N 3.49Å; Q247-C250 PolarHBondContact O-N 3.37Å; Q247-L251 PolarHBondContact O-N 2.87Å
248	V	98.1	Very high	97.7	Very high	68 Å²	68	45.9 Å²	45.9	41%	0.412	26%	0.264	S	S	.	.	H	α-helix	trans	-61.5	-42.2	174	169.9	0	0	0	0	110.3	L244 C250 L251	L244-V248 HydrophobicContact CD1-CG2 3.93Å; L244-V248 HydrophobicContact CG-CG2 4.47Å; L244-V248 WeakPolarHBondContact O-CB 3.32Å; L244-V248 VanDerWaalsContact O-CG2 3.32Å; L244-V248 WeakPolarHBondContact O-CG2 3.43Å; L244-V248 PolarHBondContact O-N 3.4Å; V248-C250 VanDerWaalsContact C-N 3.32Å; V248-C250 PolarHBondContact O-N 2.86Å; V248-L251 WeakPolarHBondContact O-CB 3.4Å; V248-L251 PolarHBondContact O-N 2.87Å
249	A	98.2	Very high	97.6	Very high	49 Å²	49	48 Å²	48	41%	0.405	28%	0.278	S	S	.	.	H	α-helix	trans	-61.2	-40.6	175.3	0	0	0	0	0	112	Y218 S245 S246 Q247 L251 S252	Y218-A249 HydrophobicContact CE2-CB 4.46Å; Y218-A249 WeakPolarHBondContact OH-CB 3.47Å; S245-A249 WeakPolarHBondContact O-CB 3.39Å; S245-A249 PolarHBondContact O-N 3.09Å; S246-A249 PolarHBondContact O-N 2.97Å; Q247-A249 VanDerWaalsContact C-N 3.31Å; Q247-A249 PolarHBondContact O-N 3.49Å; A249-L251 PolarHBondContact O-N 3.04Å; A249-S252 PolarHBondContact O-N 3.42Å; A249-S252 VanDerWaalsContact O-N 3.09Å
250	C	97.9	Very high	97.6	Very high	58 Å²	58	53.6 Å²	53.6	39%	0.392	31%	0.307	S	S	.	.	H	α-helix	trans	-66	-17.4	177.3	-71.5	0	0	0	0	114.6	S246 Q247 V248 S252	S246-C250 PolarHBondContact O-N 3.44Å; S246-C250 PolarHBondContact O-SG 3.13Å; Q247-C250 PolarHBondContact O-N 3.37Å; V248-C250 VanDerWaalsContact C-N 3.32Å; V248-C250 PolarHBondContact O-N 2.86Å; C250-S252 PolarHBondContact O-N 3.47Å
251	L	97.3	Very high	97.5	Very high	23 Å²	23	55.1 Å²	55.1	12%	0.12	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-21.5	172	-65.3	-176.2	0	0	0	112.7	S190 L192 I195 Q247 V248 A249 H253 I254 A255	S190-L251 VanDerWaalsContact O-CD1 3.24Å; S190-L251 WeakPolarHBondContact O-CD1 3.45Å; L192-L251 HydrophobicContact CB-CD2 4.44Å; L192-L251 HydrophobicContact CD1-CD2 4.46Å; I195-L251 HydrophobicContact CD1-CD2 3.79Å; Q247-L251 PolarHBondContact O-N 2.87Å; V248-L251 WeakPolarHBondContact O-CB 3.4Å; V248-L251 PolarHBondContact O-N 2.87Å; A249-L251 PolarHBondContact O-N 3.04Å; L251-H253 PolarHBondContact O-N 3.13Å; L251-I254 WeakPolarHBondContact O-CB 3.2Å; L251-I254 PolarHBondContact O-N 3.18Å; L251-A255 HydrophobicContact CB-CB 3.74Å; L251-A255 HydrophobicContact CD1-CB 4.47Å; L251-A255 PolarHBondContact O-N 2.99Å
252	S	96.7	Very high	97.5	Very high	80 Å²	80	62.5 Å²	62.5	56%	0.559	34%	0.344	S	S	*	.	H	α-helix	trans	47.5	-119.4	167.9	-177	0	0	0	0	112.6	A249 C250 I254 A255 A256	A249-S252 PolarHBondContact O-N 3.42Å; A249-S252 VanDerWaalsContact O-N 3.09Å; C250-S252 PolarHBondContact O-N 3.47Å; S252-I254 VanDerWaalsContact C-N 3.29Å; S252-I254 PolarHBondContact O-N 2.76Å; S252-A255 PolarHBondContact O-N 2.89Å; S252-A256 PolarHBondContact O-N 3.3Å
253	H	94.2	Very high	97.3	Very high	99 Å²	99	68.6 Å²	68.6	46%	0.458	37%	0.37	S	S	.	.	H	α-helix	trans	-64.6	-26	-178.4	67.6	-78	0	0	0	114.2	L251 A256 N257	L251-H253 PolarHBondContact O-N 3.13Å; H253-A256 PolarHBondContact O-N 3.36Å; H253-N257 VanDerWaalsContact O-CG 3.24Å; H253-N257 PolarHBondContact O-N 3.4Å; H253-N257 PolarHBondContact O-ND2 2.85Å; H253-N257 PolarHBondContact O-OD1 2.98Å
254	I	95.9	Very high	97.1	Very high	50 Å²	50	73.9 Å²	73.9	26%	0.256	39%	0.394	S	S	.	.	H	α-helix	trans	-69.3	-45	176.5	-59	177.9	0	0	0	109.6	I195 L251 S252 A256 N257 A265	I195-I254 HydrophobicContact CD1-CD1 3.56Å; I195-I254 HydrophobicContact CD1-CG2 4.24Å; I195-I254 HydrophobicContact CG2-CG2 4.46Å; L251-I254 WeakPolarHBondContact O-CB 3.2Å; L251-I254 PolarHBondContact O-N 3.18Å; S252-I254 VanDerWaalsContact C-N 3.29Å; S252-I254 PolarHBondContact O-N 2.76Å; I254-A256 VanDerWaalsContact C-N 3.3Å; I254-A256 PolarHBondContact O-N 3.26Å; I254-N257 WeakPolarHBondContact O-CB 3.34Å; I254-N257 PolarHBondContact O-N 3.07Å; I254-A265 HydrophobicContact CG2-CB 3.55Å
255	A	96.9	Very high	97	Very high	23 Å²	23	73 Å²	73	19%	0.19	39%	0.393	C	S	.	.	H	α-helix	trans	-61.7	-40.7	171.7	0	0	0	0	0	111.2	L251 S252 N257 Y258 L259	L251-A255 HydrophobicContact CB-CB 3.74Å; L251-A255 HydrophobicContact CD1-CB 4.47Å; L251-A255 PolarHBondContact O-N 2.99Å; S252-A255 PolarHBondContact O-N 2.89Å; A255-N257 VanDerWaalsContact C-N 3.32Å; A255-N257 PolarHBondContact O-N 3.49Å; A255-Y258 PolarHBondContact O-N 3.44Å; A255-L259 WeakPolarHBondContact O-CB 3.45Å; A255-L259 VanDerWaalsContact O-CG 3.31Å; A255-L259 WeakPolarHBondContact O-CG 3.39Å; A255-L259 PolarHBondContact O-N 3.33Å
256	A	97.1	Very high	96.8	Very high	32 Å²	32	74 Å²	74	26%	0.264	39%	0.389	S	S	.	.	H	α-helix	trans	-60.5	-37.8	177.1	0	0	0	0	0	112.9	S252 H253 I254 Y258 L259 I260	S252-A256 PolarHBondContact O-N 3.3Å; H253-A256 PolarHBondContact O-N 3.36Å; I254-A256 VanDerWaalsContact C-N 3.3Å; I254-A256 PolarHBondContact O-N 3.26Å; A256-Y258 VanDerWaalsContact C-N 3.29Å; A256-Y258 PolarHBondContact O-N 2.81Å; A256-L259 PolarHBondContact O-N 3.34Å; A256-I260 HydrophobicContact CB-CD1 4.08Å; A256-I260 VanDerWaalsContact O-CB 3.29Å; A256-I260 WeakPolarHBondContact O-CB 3.13Å; A256-I260 VanDerWaalsContact O-CG1 3.27Å; A256-I260 WeakPolarHBondContact O-CG1 3.35Å; A256-I260 PolarHBondContact O-N 3.15Å
257	N	96.2	Very high	96.8	Very high	66 Å²	66	75.8 Å²	75.8	35%	0.353	40%	0.395	S	S	.	.	H	α-helix	trans	-56.9	-43.7	175	-69.2	-24.2	0	0	0	111.8	H253 I254 A255 V261 R262 K263	H253-N257 VanDerWaalsContact O-CG 3.24Å; H253-N257 PolarHBondContact O-N 3.4Å; H253-N257 PolarHBondContact O-ND2 2.85Å; H253-N257 PolarHBondContact O-OD1 2.98Å; I254-N257 WeakPolarHBondContact O-CB 3.34Å; I254-N257 PolarHBondContact O-N 3.07Å; A255-N257 VanDerWaalsContact C-N 3.32Å; A255-N257 PolarHBondContact O-N 3.49Å; N257-V261 CarbonylContact O-C 3.6Å; N257-V261 WeakPolarHBondContact O-CG2 3.16Å; N257-V261 PolarHBondContact O-N 3.38Å; N257-V261 VanDerWaalsContact O-N 3.13Å; N257-R262 PolarHBondContact O-N 3.23Å; N257-K263 PolarHBondContact O-N 3.07Å
258	Y	97.8	Very high	96.7	Very high	107 Å²	107	78.7 Å²	78.7	42%	0.42	41%	0.406	S	S	.	.	H	α-helix	trans	-72.1	-44.4	176.4	-175.5	-98.2	0	0	0	111.9	A255 A256 I260 R262	A255-Y258 PolarHBondContact O-N 3.44Å; A256-Y258 VanDerWaalsContact C-N 3.29Å; A256-Y258 PolarHBondContact O-N 2.81Å; Y258-I260 PolarHBondContact O-N 3.13Å; Y258-R262 WeakPolarHBondContact O-CA 3.31Å; Y258-R262 WeakPolarHBondContact O-CD 3.31Å; Y258-R262 PolarHBondContact O-N 3.33Å
259	L	97.9	Very high	96.6	Very high	115 Å²	115	77.8 Å²	77.8	60%	0.602	41%	0.41	S	S	*	.	H	α-helix	trans	-66.6	-36.2	-176.7	-68.8	173.1	0	0	0	113.3	A255 A256	A255-L259 WeakPolarHBondContact O-CB 3.45Å; A255-L259 VanDerWaalsContact O-CG 3.31Å; A255-L259 WeakPolarHBondContact O-CG 3.39Å; A255-L259 PolarHBondContact O-N 3.33Å; A256-L259 PolarHBondContact O-N 3.34Å
260	I	97.9	Very high	96.5	Very high	135 Å²	135	79.5 Å²	79.5	69%	0.692	42%	0.415	S	S	*	.	H	α-helix	trans	-90.8	-48.3	-175.1	-59	170.9	0	0	0	111.4	A256 Y258	A256-I260 HydrophobicContact CB-CD1 4.08Å; A256-I260 VanDerWaalsContact O-CB 3.29Å; A256-I260 WeakPolarHBondContact O-CB 3.13Å; A256-I260 VanDerWaalsContact O-CG1 3.27Å; A256-I260 WeakPolarHBondContact O-CG1 3.35Å; A256-I260 PolarHBondContact O-N 3.15Å; Y258-I260 PolarHBondContact O-N 3.13Å
261	V	97	Very high	96.5	Very high	99 Å²	99	77.7 Å²	77.7	60%	0.6	40%	0.404	S	S	*	.	H	α-helix	trans	-120.4	8.1	-171.5	-58.3	0	0	0	0	114.1	N257 K263	N257-V261 CarbonylContact O-C 3.6Å; N257-V261 WeakPolarHBondContact O-CG2 3.16Å; N257-V261 PolarHBondContact O-N 3.38Å; N257-V261 VanDerWaalsContact O-N 3.13Å; V261-K263 HydrophobicContact CG2-CB 3.98Å; V261-K263 PolarHBondContact O-N 3.42Å; V261-K263 VanDerWaalsContact O-N 3.09Å
262	R	97.4	Very high	96.4	Very high	167 Å²	167	79.2 Å²	79.2	63%	0.63	41%	0.411	S	S	*	.			trans	56.4	25.7	177.7	-54.8	-65.2	174.2	-162.6	1.6	114.1	N257 Y258 E264	N257-R262 PolarHBondContact O-N 3.23Å; Y258-R262 WeakPolarHBondContact O-CA 3.31Å; Y258-R262 WeakPolarHBondContact O-CD 3.31Å; Y258-R262 PolarHBondContact O-N 3.33Å; R262-E264 PolarHBondContact O-N 3.46Å
263	K	95.2	Very high	96.3	Very high	140 Å²	140	76.5 Å²	76.5	61%	0.609	40%	0.395	S	S	*	.			trans	-84.3	113.9	175.4	-175.2	175.7	-178.6	179.1	0	109.2	N257 V261	N257-K263 PolarHBondContact O-N 3.07Å; V261-K263 HydrophobicContact CG2-CB 3.98Å; V261-K263 PolarHBondContact O-N 3.42Å; V261-K263 VanDerWaalsContact O-N 3.09Å
264	E	95.2	Very high	96.3	Very high	119 Å²	119	74.8 Å²	74.8	56%	0.556	39%	0.394	S	S	*	.			trans	-64.2	140.6	175.5	-170.3	51.2	-94.4	0	0	111.1	R262	R262-E264 PolarHBondContact O-N 3.46Å
265	A	95.4	Very high	96.4	Very high	23 Å²	23	74.2 Å²	74.2	19%	0.19	39%	0.391	C	S	.	.			trans	-79.1	162.2	175.2	0	0	0	0	0	110.6	I195 I254	I195-A265 HydrophobicContact CG2-CB 3.46Å; I195-A265 VanDerWaalsContact CG2-CB 3.46Å; I254-A265 HydrophobicContact CG2-CB 3.55Å
266	K	94.9	Very high	96.4	Very high	90 Å²	90	73.1 Å²	73.1	39%	0.391	38%	0.382	S	S	.	.			trans	-147.3	169.2	173.7	65.2	169.9	-176.8	167.5	0	110.4	E199 W268	E199-K266 IonicContact OE1-NZ 2.62Å; E199-K266 PolarHBondContact OE1-NZ 3.36Å; K266-W268 HydrophobicContact CD-CH2 4.47Å; K266-W268 HydrophobicContact CD-CZ2 4.27Å; K266-W268 HydrophobicContact CG-CD2 4.41Å; K266-W268 HydrophobicContact CG-CZ2 4.16Å; K266-W268 VanDerWaalsContact O-CD1 3.26Å
267	R	97.2	Very high	96.5	Very high	45 Å²	45	71.6 Å²	71.6	17%	0.17	37%	0.37	C	S	.	.			trans	-70.6	145.7	171.4	-70.2	-179	-64.2	-72.5	4.4	110.3	H194 T196 G197 P198 E199 G201	H194-R267 WeakPolarHBondContact O-CG 3.09Å; H194-R267 PolarHBondContact O-NH1 3.42Å; T196-R267 WeakPolarHBondContact O-CD 3.45Å; G197-R267 WeakPolarHBondContact O-CB 3.31Å; P198-R267 VanDerWaalsContact O-CB 3.29Å; P198-R267 WeakPolarHBondContact O-CB 3.49Å; P198-R267 PolarHBondContact O-NE 2.96Å; E199-R267 WeakPolarHBondContact CA-O 3.14Å; G201-R267 PolarHBondContact O-NE 3.22Å; G201-R267 PolarHBondContact O-NH2 3.15Å
268	W	96.1	Very high	96.6	Very high	65 Å²	65	73.4 Å²	73.4	25%	0.246	37%	0.372	C	S	.	.			trans	-132.2	6.7	-178.9	-71.3	108.6	0	0	0	113.3	K266 T270 A271 G273 R326	K266-W268 HydrophobicContact CD-CH2 4.47Å; K266-W268 HydrophobicContact CD-CZ2 4.27Å; K266-W268 HydrophobicContact CG-CD2 4.41Å; K266-W268 HydrophobicContact CG-CZ2 4.16Å; K266-W268 VanDerWaalsContact O-CD1 3.26Å; W268-T270 PolarHBondContact O-N 3.29Å; W268-A271 HydrophobicContact CB-CB 4.36Å; W268-A271 WeakPolarHBondContact CB-O 3.21Å; W268-A271 WeakPolarHBondContact O-CB 3.18Å; W268-A271 PolarHBondContact O-N 3.32Å; W268-G273 VanDerWaalsContact CE2-CA 3.46Å; W268-R326 VanDerWaalsContact CH2-NH1 3.34Å
269	G	96.3	Very high	96.6	Very high	48 Å²	48	69.6 Å²	69.6	50%	0.495	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	-120.5	-167.9	0	0	0	0	0	110.2	G197	G197-G269 WeakPolarHBondContact O-CA 3.41Å; G197-G269 PolarHBondContact O-N 2.88Å
270	T	96.4	Very high	96.6	Very high	85 Å²	85	64.7 Å²	64.7	52%	0.521	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-1.9	176.2	58.3	0	0	0	0	113.2	W268 Q279 A280	W268-T270 PolarHBondContact O-N 3.29Å; T270-Q279 WeakPolarHBondContact O-CA 3.34Å; T270-A280 HydrophobicContact CG2-CB 3.85Å; T270-A280 VanDerWaalsContact OG1-CB 3.27Å; T270-A280 WeakPolarHBondContact OG1-CB 3.34Å; T270-A280 PolarHBondContact OG1-N 2.95Å
271	A	97.1	Very high	96.6	Very high	20 Å²	20	58.4 Å²	58.4	17%	0.165	30%	0.302	C	S	.	.			trans	-84.5	147.4	-173.3	0	0	0	0	0	113.8	W268 Y278 Q279	W268-A271 HydrophobicContact CB-CB 4.36Å; W268-A271 WeakPolarHBondContact CB-O 3.21Å; W268-A271 WeakPolarHBondContact O-CB 3.18Å; W268-A271 PolarHBondContact O-N 3.32Å; A271-Y278 CarbonylContact C-O 3.59Å; A271-Y278 WeakPolarHBondContact CA-O 3.5Å; A271-Q279 HydrophobicContact CB-CB 3.72Å
272	H	96.2	Very high	96.7	Very high	56 Å²	56	58.9 Å²	58.9	26%	0.259	30%	0.296	S	S	.	.			trans	-80.4	131.8	168.3	-165.4	-93.4	0	0	0	110.6	S274 I275 Y278 R326	H272-S274 VanDerWaalsContact C-N 3.27Å; H272-S274 PolarHBondContact ND1-N 3.07Å; H272-S274 VanDerWaalsContact ND1-N 3.19Å; H272-S274 PolarHBondContact O-N 2.99Å; H272-I275 HydrophobicContact CB-CB 4.27Å; H272-I275 WeakPolarHBondContact ND1-CB 3.34Å; H272-I275 WeakPolarHBondContact ND1-CG1 3.48Å; H272-I275 PolarHBondContact ND1-N 3.36Å; H272-I275 VanDerWaalsContact ND1-N 3.17Å; H272-Y278 HydrophobicContact CB-CD1 3.84Å; H272-Y278 HydrophobicContact CB-CG 3.87Å; H272-Y278 PolarHBondContact N-O 3.42Å; H272-R326 PolarHBondContact O-NH2 3.44Å
273	G	94.3	Very high	96.8	Very high	22 Å²	22	51 Å²	51	23%	0.227	27%	0.267	C	S	.	.	S	Bend	trans	-67.1	-24	-177	0	0	0	0	0	114.8	W268 R326	W268-G273 VanDerWaalsContact CE2-CA 3.46Å; G273-R326 PolarHBondContact O-NH2 2.92Å
274	S	94.9	Very high	96.9	Very high	63 Å²	63	51.4 Å²	51.4	44%	0.441	27%	0.269	S	S	.	.	S	Bend	trans	-118.8	-2.2	-172.3	-51.8	0	0	0	0	114.9	H272 N319 V323	H272-S274 VanDerWaalsContact C-N 3.27Å; H272-S274 PolarHBondContact ND1-N 3.07Å; H272-S274 VanDerWaalsContact ND1-N 3.19Å; H272-S274 PolarHBondContact O-N 2.99Å; S274-N319 PolarHBondContact O-ND2 2.78Å; S274-V323 WeakPolarHBondContact O-CG2 3.35Å
275	I	97.1	Very high	97	Very high	38 Å²	38	50.4 Å²	50.4	20%	0.195	27%	0.267	C	S	.	.	S	Bend	trans	-134.4	132.4	-173.4	-62.1	172.5	0	0	0	108.5	H272 Y278 A292 N319	H272-I275 HydrophobicContact CB-CB 4.27Å; H272-I275 WeakPolarHBondContact ND1-CB 3.34Å; H272-I275 WeakPolarHBondContact ND1-CG1 3.48Å; H272-I275 PolarHBondContact ND1-N 3.36Å; H272-I275 VanDerWaalsContact ND1-N 3.17Å; I275-Y278 HydrophobicContact CB-CD1 4.39Å; I275-Y278 HydrophobicContact CD1-CD1 4.4Å; I275-Y278 HydrophobicContact CG2-CD1 4.26Å; I275-A292 WeakPolarHBondContact CG2-O 3.44Å; I275-N319 WeakPolarHBondContact CA-OD1 3.3Å
276	V	97.8	Very high	97.1	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.269	C	S	.	.	S	Bend	trans	-138	131.9	-179.9	-178.8	0	0	0	0	110.7	N319 R322 V323 R326 L329 I330	V276-N319 PolarHBondContact N-OD1 3.02Å; V276-N319 VanDerWaalsContact N-OD1 3.13Å; V276-R322 HydrophobicContact CB-CB 3.95Å; V276-R322 HydrophobicContact CG1-CB 4.18Å; V276-R322 WeakPolarHBondContact O-CD 3.41Å; V276-R322 PolarHBondContact O-NE 2.94Å; V276-V323 HydrophobicContact CG2-CG2 3.91Å; V276-R326 HydrophobicContact CG1-CB 4.36Å; V276-R326 HydrophobicContact CG2-CB 4.03Å; V276-L329 HydrophobicContact CG1-CD2 3.9Å; V276-I330 HydrophobicContact CG1-CD1 3.94Å; V276-I330 HydrophobicContact CG1-CG1 4.26Å
277	P	97.5	Very high	97.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.272	C	S	.	.	S	Bend	cis	-73.8	136	-11.9	30.2	-34.9	0	0	0	111.4	F281 A292 F298 I330 L333	P277-F281 HydrophobicContact CB-CE2 4.15Å; P277-F281 HydrophobicContact CB-CZ 3.84Å; P277-A292 HydrophobicContact CG-CB 3.94Å; P277-A292 PolarHBondContact O-N 3.24Å; P277-F298 HydrophobicContact CG-CD2 4.34Å; P277-I330 HydrophobicContact CB-CD1 4.22Å; P277-L333 HydrophobicContact CB-CD1 3.81Å; P277-L333 HydrophobicContact CG-CD1 3.9Å
278	Y	98.3	Very high	97.3	Very high	104 Å²	104	49.5 Å²	49.5	41%	0.408	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	87.1	162.6	-171.8	173.2	0	0	0	108.1	A271 H272 I275 V290	A271-Y278 CarbonylContact C-O 3.59Å; A271-Y278 WeakPolarHBondContact CA-O 3.5Å; H272-Y278 HydrophobicContact CB-CD1 3.84Å; H272-Y278 HydrophobicContact CB-CG 3.87Å; H272-Y278 PolarHBondContact N-O 3.42Å; I275-Y278 HydrophobicContact CB-CD1 4.39Å; I275-Y278 HydrophobicContact CD1-CD1 4.4Å; I275-Y278 HydrophobicContact CG2-CD1 4.26Å; Y278-V290 VanDerWaalsContact CA-O 3.26Å; Y278-V290 WeakPolarHBondContact CA-O 3.3Å
279	Q	98.4	Very high	97.5	Very high	27 Å²	27	48.6 Å²	48.6	13%	0.126	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.6	174.8	-175.3	63.6	-176.7	72.6	0	0	112.1	T270 A271 F281 V289 V290 I330	T270-Q279 WeakPolarHBondContact O-CA 3.34Å; A271-Q279 HydrophobicContact CB-CB 3.72Å; Q279-F281 HydrophobicContact CG-CD2 4.18Å; Q279-F281 HydrophobicContact CG-CE1 3.99Å; Q279-F281 HydrophobicContact CG-CE2 3.56Å; Q279-F281 HydrophobicContact CG-CZ 3.46Å; Q279-F281 VanDerWaalsContact CG-CZ 3.46Å; Q279-V289 WeakPolarHBondContact O-CA 3.24Å; Q279-V290 PolarHBondContact N-O 2.91Å; Q279-V290 PolarHBondContact O-N 3.25Å; Q279-V290 VanDerWaalsContact O-N 3.08Å; Q279-I330 HydrophobicContact CG-CD1 4.3Å; Q279-I330 VanDerWaalsContact NE2-CG2 3.32Å
280	A	98.3	Very high	97.6	Very high	13 Å²	13	46.3 Å²	46.3	11%	0.107	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	139.5	164.8	0	0	0	0	0	111.2	T270 I288 V289 I359	T270-A280 HydrophobicContact CG2-CB 3.85Å; T270-A280 VanDerWaalsContact OG1-CB 3.27Å; T270-A280 WeakPolarHBondContact OG1-CB 3.34Å; T270-A280 PolarHBondContact OG1-N 2.95Å; A280-I288 CarbonylContact C-O 3.6Å; A280-I288 WeakPolarHBondContact CA-O 3.47Å; A280-V289 HydrophobicContact CB-CG2 4Å; A280-I359 HydrophobicContact CB-CD1 3.71Å
281	F	98.6	Very high	97.6	Very high	3 Å²	3	42.5 Å²	42.5	1%	0.013	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	138.4	170.9	-63.6	-85.4	0	0	0	108.7	P277 Q279 Y287 I288 V290 I330 L333 S334 F337	P277-F281 HydrophobicContact CB-CE2 4.15Å; P277-F281 HydrophobicContact CB-CZ 3.84Å; Q279-F281 HydrophobicContact CG-CD2 4.18Å; Q279-F281 HydrophobicContact CG-CE1 3.99Å; Q279-F281 HydrophobicContact CG-CE2 3.56Å; Q279-F281 HydrophobicContact CG-CZ 3.46Å; Q279-F281 VanDerWaalsContact CG-CZ 3.46Å; F281-Y287 VanDerWaalsContact O-CA 3.26Å; F281-Y287 WeakPolarHBondContact O-CA 3.37Å; F281-I288 HydrophobicContact CB-CG2 4.31Å; F281-I288 PolarHBondContact N-O 2.83Å; F281-I288 PolarHBondContact O-N 2.94Å; F281-V290 HydrophobicContact CD2-CB 4.48Å; F281-V290 HydrophobicContact CE2-CB 4.37Å; F281-I330 HydrophobicContact CE1-CD1 3.91Å; F281-I330 HydrophobicContact CE1-CG2 4.23Å; F281-I330 HydrophobicContact CZ-CD1 3.74Å; F281-L333 HydrophobicContact CE1-CB 3.86Å; F281-L333 HydrophobicContact CZ-CB 4.28Å; F281-L333 HydrophobicContact CZ-CD1 4.28Å; F281-S334 WeakPolarHBondContact CD1-OG 3.43Å; F281-F337 HydrophobicContact CB-CB 3.87Å; F281-F337 HydrophobicContact CB-CD2 3.52Å; F281-F337 HydrophobicContact CB-CE2 4.21Å; F281-F337 HydrophobicContact CB-CG 3.76Å; F281-F337 AromaticContact CD1-CD2 3.7Å; F281-F337 HydrophobicContact CD1-CD2 3.7Å; F281-F337 HydrophobicContact CD1-CE2 4.17Å; F281-F337 AromaticContact CD2-CD2 3.8Å; F281-F337 HydrophobicContact CD2-CD2 3.8Å; F281-F337 AromaticContact CD2-CE2 3.62Å; F281-F337 HydrophobicContact CD2-CE2 3.62Å; F281-F337 HydrophobicContact CD2-CZ 4.34Å; F281-F337 HydrophobicContact CE1-CD2 4.33Å; F281-F337 HydrophobicContact CE1-CE2 4.45Å; F281-F337 HydrophobicContact CE2-CD2 4.43Å; F281-F337 AromaticContact CE2-CE2 3.96Å; F281-F337 HydrophobicContact CE2-CE2 3.96Å; F281-F337 AromaticContact CG-CD2 3.38Å; F281-F337 HydrophobicContact CG-CD2 3.38Å; F281-F337 AromaticContact CG-CE2 3.73Å; F281-F337 HydrophobicContact CG-CE2 3.73Å; F281-F337 HydrophobicContact CG-CG 4.15Å; F281-F337 HydrophobicContact CZ-CE2 4.35Å
282	K	98.5	Very high	97.6	Very high	109 Å²	109	41.5 Å²	41.5	47%	0.474	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	140.2	173.1	-171	177.3	172.7	-161.9	0	108.7	Y287 F337 E338	K282-Y287 HydrophobicContact CB-CD1 4.17Å; K282-Y287 HydrophobicContact CB-CE1 3.85Å; K282-Y287 HydrophobicContact CG-CE1 4.13Å; K282-F337 CarbonylContact O-C 3.51Å; K282-E338 HydrophobicContact CB-CG 4.19Å; K282-E338 HydrophobicContact CG-CG 4.44Å; K282-E338 WeakPolarHBondContact O-CG 3.37Å; K282-E338 PolarHBondContact O-N 3.09Å
283	T	98.7	Very high	97.6	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.006	22%	0.219	C	C	.	.			trans	-114.2	179.5	172.2	63.6	0	0	0	0	108.7	D285 G286 I288 F337 T342	T283-D285 PolarHBondContact O-N 3.19Å; T283-D285 VanDerWaalsContact O-N 3.15Å; T283-D285 PolarHBondContact OG1-OD1 3.16Å; T283-G286 PolarHBondContact N-O 3.41Å; T283-G286 WeakPolarHBondContact OG1-CA 3.33Å; T283-G286 PolarHBondContact OG1-N 3Å; T283-G286 PolarHBondContact OG1-O 3.44Å; T283-I288 HydrophobicContact CG2-CB 4.11Å; T283-I288 HydrophobicContact CG2-CG2 3.69Å; T283-F337 WeakPolarHBondContact CA-O 3.38Å; T283-T342 PolarHBondContact OG1-OG1 3.19Å
284	K	98.2	Very high	97.7	Very high	149 Å²	149	43.2 Å²	43.2	65%	0.648	23%	0.227	S	C	*	.	S	Bend	trans	-58.6	-28.4	179.9	-171.2	171	-173.4	169.2	0	114.1	E340 L341	K284-E340 VanDerWaalsContact CB-O 3.3Å; K284-E340 WeakPolarHBondContact CB-O 3.24Å; K284-E340 PolarHBondContact N-O 3.26Å; K284-L341 HydrophobicContact CB-CD2 4.17Å; K284-L341 HydrophobicContact CD-CD2 4.12Å; K284-L341 HydrophobicContact CG-CD2 4.23Å
285	D	97.4	Very high	97.8	Very high	97 Å²	97	43.7 Å²	43.7	52%	0.519	22%	0.224	S	C	.	.	S	Bend	trans	-131.2	2.3	-173.6	67.4	-18.2	0	0	0	114.7	T283 L341 T342	T283-D285 PolarHBondContact O-N 3.19Å; T283-D285 VanDerWaalsContact O-N 3.15Å; T283-D285 PolarHBondContact OG1-OD1 3.16Å; D285-L341 HydrophobicContact CB-CD2 3.95Å; D285-T342 WeakPolarHBondContact OD1-CB 3.49Å; D285-T342 PolarHBondContact OD1-N 3.3Å; D285-T342 PolarHBondContact OD1-OG1 3.26Å
286	G	97.2	Very high	97.9	Very high	23 Å²	23	48 Å²	48	24%	0.237	24%	0.244	C	C	.	.	S	Bend	trans	-178.9	-136.3	-175.2	0	0	0	0	0	113.9	T283	T283-G286 PolarHBondContact N-O 3.41Å; T283-G286 WeakPolarHBondContact OG1-CA 3.33Å; T283-G286 PolarHBondContact OG1-N 3Å; T283-G286 PolarHBondContact OG1-O 3.44Å
287	Y	98.5	Very high	97.9	Very high	117 Å²	117	49.9 Å²	49.9	46%	0.459	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	142.9	-179.5	-67.2	-92.3	0	0	0	111.2	F281 K282 P358 I359	F281-Y287 VanDerWaalsContact O-CA 3.26Å; F281-Y287 WeakPolarHBondContact O-CA 3.37Å; K282-Y287 HydrophobicContact CB-CD1 4.17Å; K282-Y287 HydrophobicContact CB-CE1 3.85Å; K282-Y287 HydrophobicContact CG-CE1 4.13Å; Y287-P358 WeakPolarHBondContact O-CA 3.44Å; Y287-I359 HydrophobicContact CG-CD1 4.2Å; Y287-I359 PolarHBondContact O-N 3Å
288	I	98.5	Very high	97.9	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	134.3	168.1	-170.4	171.9	0	0	0	109.4	A280 F281 T283 V290 F337 W345 L346 F349 Y356	A280-I288 CarbonylContact C-O 3.6Å; A280-I288 WeakPolarHBondContact CA-O 3.47Å; F281-I288 HydrophobicContact CB-CG2 4.31Å; F281-I288 PolarHBondContact N-O 2.83Å; F281-I288 PolarHBondContact O-N 2.94Å; T283-I288 HydrophobicContact CG2-CB 4.11Å; T283-I288 HydrophobicContact CG2-CG2 3.69Å; I288-V290 HydrophobicContact CD1-CG2 4.13Å; I288-V290 HydrophobicContact CG1-CG2 4.03Å; I288-V290 HydrophobicContact CG2-CG2 4.37Å; I288-F337 HydrophobicContact CG2-CD1 3.66Å; I288-F337 HydrophobicContact CG2-CE1 3.8Å; I288-F337 HydrophobicContact CG2-CG 4.32Å; I288-W345 HydrophobicContact CD1-CB 3.74Å; I288-L346 HydrophobicContact CD1-CD2 3.95Å; I288-L346 HydrophobicContact CG1-CD2 4.29Å; I288-F349 HydrophobicContact CD1-CD2 4.24Å; I288-Y356 HydrophobicContact CD1-CD2 4.34Å
289	V	98.5	Very high	97.9	Very high	45 Å²	45	45.6 Å²	45.6	27%	0.273	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	129.9	168.6	-177.1	0	0	0	0	107.7	Q279 A280 Y356 G357 I359	Q279-V289 WeakPolarHBondContact O-CA 3.24Å; A280-V289 HydrophobicContact CB-CG2 4Å; V289-Y356 CarbonylContact O-C 3.47Å; V289-Y356 WeakPolarHBondContact O-CA 3.45Å; V289-G357 PolarHBondContact N-O 3.17Å; V289-G357 PolarHBondContact O-N 3.16Å; V289-I359 HydrophobicContact CG2-CD1 4.21Å; V289-I359 HydrophobicContact CG2-CG1 3.81Å
290	V	98.5	Very high	97.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	129.7	176	179.1	0	0	0	0	108.7	Y278 Q279 F281 I288 V301 F337 F349 V354	Y278-V290 VanDerWaalsContact CA-O 3.26Å; Y278-V290 WeakPolarHBondContact CA-O 3.3Å; Q279-V290 PolarHBondContact N-O 2.91Å; Q279-V290 PolarHBondContact O-N 3.25Å; Q279-V290 VanDerWaalsContact O-N 3.08Å; F281-V290 HydrophobicContact CD2-CB 4.48Å; F281-V290 HydrophobicContact CE2-CB 4.37Å; I288-V290 HydrophobicContact CD1-CG2 4.13Å; I288-V290 HydrophobicContact CG1-CG2 4.03Å; I288-V290 HydrophobicContact CG2-CG2 4.37Å; V290-V301 HydrophobicContact CG1-CG2 3.78Å; V290-F337 HydrophobicContact CB-CZ 4.37Å; V290-F337 HydrophobicContact CG2-CE1 4.08Å; V290-F337 HydrophobicContact CG2-CZ 3.69Å; V290-F349 HydrophobicContact CG1-CE1 3.99Å; V290-F349 HydrophobicContact CG1-CZ 4.13Å; V290-F349 HydrophobicContact CG2-CE1 4.44Å; V290-F349 HydrophobicContact CG2-CE2 4.37Å; V290-F349 HydrophobicContact CG2-CZ 4.08Å; V290-V354 HydrophobicContact CG1-CG1 4.04Å
291	G	97.5	Very high	97.9	Very high	5 Å²	5	45.2 Å²	45.2	5%	0.052	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	109.4	178.4	0	0	0	0	0	112.2	P355	G291-P355 PolarHBondContact N-O 3.33Å; G291-P355 WeakPolarHBondContact O-CD 3.44Å
292	A	97.6	Very high	97.9	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.235	C	C	.	.			trans	-105.7	89.7	171.5	0	0	0	0	0	110.3	I275 P277 N294 Q297 F298 V301	I275-A292 WeakPolarHBondContact CG2-O 3.44Å; P277-A292 HydrophobicContact CG-CB 3.94Å; P277-A292 PolarHBondContact O-N 3.24Å; A292-N294 VanDerWaalsContact C-N 3.27Å; A292-N294 PolarHBondContact O-N 2.81Å; A292-Q297 HydrophobicContact CB-CB 3.97Å; A292-F298 HydrophobicContact CB-CB 4.32Å; A292-V301 HydrophobicContact CB-CG2 4.23Å
293	G	95	Very high	98	Very high	40 Å²	40	46.4 Å²	46.4	41%	0.412	24%	0.241	S	C	.	.			trans	-71.6	-16	-178.1	0	0	0	0	0	114.9
294	N	96.4	Very high	97.9	Very high	73 Å²	73	47.8 Å²	47.8	39%	0.39	25%	0.248	S	C	.	.	S	Bend	trans	-144.2	172.4	-179.9	65.6	54.7	0	0	0	112.4	A292 Q296 Q297 F298	A292-N294 VanDerWaalsContact C-N 3.27Å; A292-N294 PolarHBondContact O-N 2.81Å; N294-Q296 VanDerWaalsContact C-N 3.32Å; N294-Q296 PolarHBondContact O-N 3.5Å; N294-Q296 WeakPolarHBondContact OD1-CB 3.49Å; N294-Q296 PolarHBondContact OD1-N 2.66Å; N294-Q297 PolarHBondContact O-N 2.85Å; N294-Q297 PolarHBondContact OD1-N 3.4Å; N294-F298 PolarHBondContact O-N 2.89Å
295	N	97.6	Very high	98	Very high	73 Å²	73	40.7 Å²	40.7	39%	0.39	22%	0.218	S	C	.	.	H	α-helix	trans	-65.8	-32.6	-176.6	-64.3	-18	0	0	0	113.1	F298 A299 K317 T318 N319 R322	N295-F298 PolarHBondContact O-N 2.67Å; N295-A299 PolarHBondContact O-N 3.38Å; N295-K317 PolarHBondContact ND2-O 3.26Å; N295-T318 WeakPolarHBondContact OD1-CA 3.04Å; N295-N319 PolarHBondContact OD1-N 2.9Å; N295-R322 PolarHBondContact OD1-NH1 3.04Å; N295-R322 PolarHBondContact OD1-NH2 2.7Å
296	Q	97.8	Very high	98	Very high	129 Å²	129	41.9 Å²	41.9	60%	0.603	22%	0.224	S	C	*	.	H	α-helix	trans	-67.3	-43.7	177.6	-176.5	58.5	51.9	0	0	111	N294 F298 A299 T300	N294-Q296 VanDerWaalsContact C-N 3.32Å; N294-Q296 PolarHBondContact O-N 3.5Å; N294-Q296 WeakPolarHBondContact OD1-CB 3.49Å; N294-Q296 PolarHBondContact OD1-N 2.66Å; Q296-F298 VanDerWaalsContact C-N 3.34Å; Q296-A299 PolarHBondContact O-N 3.28Å; Q296-T300 PolarHBondContact O-N 3.49Å; Q296-T300 PolarHBondContact O-OG1 2.93Å
297	Q	98.2	Very high	98	Very high	40 Å²	40	42 Å²	42	19%	0.187	22%	0.219	C	C	.	.	H	α-helix	trans	-63.6	-40.1	174.6	-71.9	174.1	-26.6	0	0	111.5	A292 N294 T300 V301 V354	A292-Q297 HydrophobicContact CB-CB 3.97Å; N294-Q297 PolarHBondContact O-N 2.85Å; N294-Q297 PolarHBondContact OD1-N 3.4Å; Q297-T300 PolarHBondContact O-N 3.04Å; Q297-V301 WeakPolarHBondContact O-CG2 3.49Å; Q297-V301 PolarHBondContact O-N 2.91Å; Q297-V354 HydrophobicContact CB-CG2 4.28Å; Q297-V354 HydrophobicContact CG-CG2 4.42Å
298	F	98.6	Very high	98	Very high	3 Å²	3	39.4 Å²	39.4	1%	0.013	22%	0.217	C	C	.	.	H	α-helix	trans	-59.9	-46.5	173.9	174.5	-111.3	0	0	0	111.6	P277 A292 N294 N295 Q296 T300 V301 C302 L310 L329	P277-F298 HydrophobicContact CG-CD2 4.34Å; A292-F298 HydrophobicContact CB-CB 4.32Å; N294-F298 PolarHBondContact O-N 2.89Å; N295-F298 PolarHBondContact O-N 2.67Å; Q296-F298 VanDerWaalsContact C-N 3.34Å; F298-T300 VanDerWaalsContact C-N 3.28Å; F298-T300 PolarHBondContact O-N 3.06Å; F298-V301 WeakPolarHBondContact O-CB 3.24Å; F298-V301 PolarHBondContact O-N 2.92Å; F298-V301 VanDerWaalsContact O-N 3.14Å; F298-C302 VanDerWaalsContact CE2-SG 3.55Å; F298-C302 WeakPolarHBondContact CZ-SG 3.19Å; F298-C302 PolarHBondContact O-N 2.54Å; F298-C302 PolarHBondContact O-SG 3.39Å; F298-L310 WeakPolarHBondContact CE1-O 3.47Å; F298-L310 HydrophobicContact CZ-CB 4.26Å; F298-L329 HydrophobicContact CE2-CD1 4.17Å; F298-L329 HydrophobicContact CE2-CD2 3.9Å; F298-L329 HydrophobicContact CZ-CD1 4.18Å; F298-L329 HydrophobicContact CZ-CD2 4.17Å
299	A	98.4	Very high	97.9	Very high	10 Å²	10	44.8 Å²	44.8	8%	0.083	24%	0.242	C	C	.	.	H	α-helix	trans	-59.5	-39.5	176.1	0	0	0	0	0	112.4	N295 Q296 C302 K303 I311	N295-A299 PolarHBondContact O-N 3.38Å; Q296-A299 PolarHBondContact O-N 3.28Å; A299-C302 PolarHBondContact O-N 3.41Å; A299-K303 WeakPolarHBondContact O-CG 3.32Å; A299-K303 PolarHBondContact O-N 3.2Å; A299-I311 HydrophobicContact CB-CD1 4.08Å; A299-I311 HydrophobicContact CB-CG1 4.25Å; A299-I311 HydrophobicContact CB-CG2 3.83Å
300	T	98.6	Very high	97.9	Very high	32 Å²	32	43 Å²	43	20%	0.196	23%	0.231	C	C	.	.	H	α-helix	trans	-63.6	-44.6	174	-60.1	0	0	0	0	111.8	Q296 Q297 F298 C302 K303 I304 V354	Q296-T300 PolarHBondContact O-N 3.49Å; Q296-T300 PolarHBondContact O-OG1 2.93Å; Q297-T300 PolarHBondContact O-N 3.04Å; F298-T300 VanDerWaalsContact C-N 3.28Å; F298-T300 PolarHBondContact O-N 3.06Å; T300-C302 PolarHBondContact O-N 3.15Å; T300-K303 PolarHBondContact O-N 3.34Å; T300-I304 HydrophobicContact CG2-CD1 3.86Å; T300-I304 WeakPolarHBondContact O-CG1 3.25Å; T300-I304 PolarHBondContact O-N 3.01Å; T300-V354 HydrophobicContact CG2-CG2 3.67Å
301	V	98.6	Very high	97.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-57.9	-48.9	175.3	171.5	0	0	0	0	110.7	V290 A292 Q297 F298 K303 I304 L305 F349 V354	V290-V301 HydrophobicContact CG1-CG2 3.78Å; A292-V301 HydrophobicContact CB-CG2 4.23Å; Q297-V301 WeakPolarHBondContact O-CG2 3.49Å; Q297-V301 PolarHBondContact O-N 2.91Å; F298-V301 WeakPolarHBondContact O-CB 3.24Å; F298-V301 PolarHBondContact O-N 2.92Å; F298-V301 VanDerWaalsContact O-N 3.14Å; V301-K303 VanDerWaalsContact C-N 3.32Å; V301-K303 PolarHBondContact O-N 3.46Å; V301-I304 PolarHBondContact O-N 2.9Å; V301-L305 HydrophobicContact CG1-CD1 3.69Å; V301-L305 HydrophobicContact CG1-CG 4.27Å; V301-L305 WeakPolarHBondContact O-CB 3.07Å; V301-L305 VanDerWaalsContact O-CG 3.31Å; V301-L305 WeakPolarHBondContact O-CG 3.43Å; V301-L305 PolarHBondContact O-N 2.83Å; V301-F349 HydrophobicContact CG1-CZ 4.44Å; V301-F349 HydrophobicContact CG2-CE1 4.02Å; V301-F349 HydrophobicContact CG2-CZ 4.42Å; V301-V354 HydrophobicContact CG2-CG1 3.91Å; V301-V354 HydrophobicContact CG2-CG2 4.29Å
302	C	98.6	Very high	97.8	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-57.6	-42.5	177.9	-71.9	0	0	0	0	112.5	F298 A299 T300 L305 D306 L307 I311	F298-C302 VanDerWaalsContact CE2-SG 3.55Å; F298-C302 WeakPolarHBondContact CZ-SG 3.19Å; F298-C302 PolarHBondContact O-N 2.54Å; F298-C302 PolarHBondContact O-SG 3.39Å; A299-C302 PolarHBondContact O-N 3.41Å; T300-C302 PolarHBondContact O-N 3.15Å; C302-L305 CarbonylContact O-C 3.52Å; C302-L305 PolarHBondContact O-N 3.01Å; C302-D306 PolarHBondContact O-N 3Å; C302-D306 VanDerWaalsContact O-N 3.09Å; C302-L307 WeakPolarHBondContact CB-O 3.34Å; C302-L307 PolarHBondContact O-N 2.78Å; C302-I311 HydrophobicContact CB-CD1 3.94Å; C302-I311 HydrophobicContact CB-CG1 3.54Å
303	K	98.6	Very high	97.8	Very high	137 Å²	137	53.2 Å²	53.2	60%	0.596	28%	0.283	S	S	*	.	H	α-helix	trans	-64.5	-42.7	176.3	-70.9	173.2	-176.1	-177	0	112.6	A299 T300 V301 L305 D306 I311	A299-K303 WeakPolarHBondContact O-CG 3.32Å; A299-K303 PolarHBondContact O-N 3.2Å; T300-K303 PolarHBondContact O-N 3.34Å; V301-K303 VanDerWaalsContact C-N 3.32Å; V301-K303 PolarHBondContact O-N 3.46Å; K303-L305 VanDerWaalsContact C-N 3.27Å; K303-L305 PolarHBondContact O-N 2.91Å; K303-D306 PolarHBondContact O-N 2.75Å; K303-D306 VanDerWaalsContact O-N 3.12Å; K303-I311 HydrophobicContact CG-CD1 3.99Å
304	I	98.5	Very high	97.9	Very high	31 Å²	31	55.9 Å²	55.9	16%	0.159	30%	0.296	C	S	.	.	H	α-helix	trans	-63.5	-37.7	177.5	-71.3	165.9	0	0	0	111.1	T300 V301 D306 L348 F349	T300-I304 HydrophobicContact CG2-CD1 3.86Å; T300-I304 WeakPolarHBondContact O-CG1 3.25Å; T300-I304 PolarHBondContact O-N 3.01Å; V301-I304 PolarHBondContact O-N 2.9Å; I304-D306 PolarHBondContact O-N 2.66Å; I304-L348 HydrophobicContact CG2-CB 3.94Å; I304-F349 HydrophobicContact CB-CZ 4.38Å; I304-F349 HydrophobicContact CD1-CD1 3.61Å; I304-F349 HydrophobicContact CD1-CE1 3.7Å; I304-F349 HydrophobicContact CD1-CG 4.1Å; I304-F349 HydrophobicContact CD1-CZ 4.27Å; I304-F349 HydrophobicContact CG2-CD2 3.92Å; I304-F349 HydrophobicContact CG2-CE1 4.4Å; I304-F349 HydrophobicContact CG2-CE2 3.62Å; I304-F349 HydrophobicContact CG2-CG 4.41Å; I304-F349 HydrophobicContact CG2-CZ 3.9Å
305	L	98.4	Very high	98	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-2.4	177.3	-67.4	-179.8	0	0	0	113.3	V301 C302 K303 L307 L333 R336 F337 W345	V301-L305 HydrophobicContact CG1-CD1 3.69Å; V301-L305 HydrophobicContact CG1-CG 4.27Å; V301-L305 WeakPolarHBondContact O-CB 3.07Å; V301-L305 VanDerWaalsContact O-CG 3.31Å; V301-L305 WeakPolarHBondContact O-CG 3.43Å; V301-L305 PolarHBondContact O-N 2.83Å; C302-L305 CarbonylContact O-C 3.52Å; C302-L305 PolarHBondContact O-N 3.01Å; K303-L305 VanDerWaalsContact C-N 3.27Å; K303-L305 PolarHBondContact O-N 2.91Å; L305-L307 VanDerWaalsContact C-N 3.31Å; L305-L307 HydrophobicContact CB-CD1 4.01Å; L305-L307 HydrophobicContact CB-CG 4.24Å; L305-L307 PolarHBondContact O-N 3.08Å; L305-L333 HydrophobicContact CD1-CD2 3.51Å; L305-R336 HydrophobicContact CB-CG 3.96Å; L305-R336 HydrophobicContact CD2-CG 3.89Å; L305-R336 HydrophobicContact CG-CG 4.39Å; L305-R336 PolarHBondContact O-NE 3.5Å; L305-R336 PolarHBondContact O-NH2 2.74Å; L305-F337 HydrophobicContact CD1-CD2 4.45Å; L305-F337 HydrophobicContact CD1-CE2 3.82Å; L305-F337 HydrophobicContact CD1-CZ 3.97Å; L305-F337 HydrophobicContact CD2-CD1 4.02Å; L305-F337 HydrophobicContact CD2-CD2 4.42Å; L305-F337 HydrophobicContact CD2-CE1 3.73Å; L305-F337 HydrophobicContact CD2-CE2 4.13Å; L305-F337 HydrophobicContact CD2-CG 4.35Å; L305-F337 HydrophobicContact CD2-CZ 3.77Å; L305-F337 HydrophobicContact CG-CZ 4.31Å; L305-W345 HydrophobicContact CD2-CE3 4.24Å; L305-W345 HydrophobicContact CD2-CH2 3.76Å; L305-W345 HydrophobicContact CD2-CZ2 4.38Å; L305-W345 HydrophobicContact CD2-CZ3 3.69Å
306	D	98.2	Very high	98	Very high	121 Å²	121	52.5 Å²	52.5	65%	0.647	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	42.5	-174.7	-159.5	31.8	0	0	0	113.2	C302 K303 I304	C302-D306 PolarHBondContact O-N 3Å; C302-D306 VanDerWaalsContact O-N 3.09Å; K303-D306 PolarHBondContact O-N 2.75Å; K303-D306 VanDerWaalsContact O-N 3.12Å; I304-D306 PolarHBondContact O-N 2.66Å
307	L	98.2	Very high	97.9	Very high	25 Å²	25	52.5 Å²	52.5	13%	0.131	27%	0.272	C	S	.	.			trans	-125.2	52.7	177.7	-62.1	170.6	0	0	0	111.3	C302 L305 E309 L310 I332 L333 R336	C302-L307 WeakPolarHBondContact CB-O 3.34Å; C302-L307 PolarHBondContact O-N 2.78Å; L305-L307 VanDerWaalsContact C-N 3.31Å; L305-L307 HydrophobicContact CB-CD1 4.01Å; L305-L307 HydrophobicContact CB-CG 4.24Å; L305-L307 PolarHBondContact O-N 3.08Å; L307-E309 WeakPolarHBondContact CA-OE2 3.15Å; L307-E309 PolarHBondContact O-N 3.04Å; L307-L310 HydrophobicContact CB-CD1 3.81Å; L307-L310 HydrophobicContact CB-CG 4.1Å; L307-L310 HydrophobicContact CD1-CD1 3.92Å; L307-L310 HydrophobicContact CG-CD1 4.43Å; L307-L310 PolarHBondContact O-N 3.22Å; L307-I332 HydrophobicContact CD1-CG2 4Å; L307-L333 HydrophobicContact CD1-CD2 4.25Å; L307-R336 HydrophobicContact CD1-CB 4.15Å; L307-R336 HydrophobicContact CD1-CG 4.22Å
308	P	97.5	Very high	97.9	Very high	64 Å²	64	53.1 Å²	53.1	42%	0.416	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-26	-172.7	27.7	-36.4	0	0	0	113.9	L310 I311	P308-L310 PolarHBondContact O-N 2.94Å; P308-I311 VanDerWaalsContact O-CB 3.3Å; P308-I311 WeakPolarHBondContact O-CB 3.26Å; P308-I311 VanDerWaalsContact O-CG1 3.23Å; P308-I311 WeakPolarHBondContact O-CG1 3.36Å; P308-I311 PolarHBondContact O-N 3.39Å; P308-I311 VanDerWaalsContact O-N 3.16Å
309	E	97.5	Very high	97.9	Very high	113 Å²	113	54.9 Å²	54.9	53%	0.528	29%	0.289	S	S	.	.	H	α-helix	trans	-61.7	-28.9	178.7	69.6	-71.3	167.6	0	0	113.1	L307 I311 D313	L307-E309 WeakPolarHBondContact CA-OE2 3.15Å; L307-E309 PolarHBondContact O-N 3.04Å; E309-I311 PolarHBondContact O-N 3.36Å; E309-D313 PolarHBondContact O-N 2.69Å
310	L	97.9	Very high	97.8	Very high	8 Å²	8	60.2 Å²	60.2	4%	0.042	31%	0.311	C	S	.	.	H	α-helix	trans	-67.8	-18.5	178.4	-60.6	-176.9	0	0	0	113.1	F298 L307 P308 Y316 L329 I332 L333	F298-L310 WeakPolarHBondContact CE1-O 3.47Å; F298-L310 HydrophobicContact CZ-CB 4.26Å; L307-L310 HydrophobicContact CB-CD1 3.81Å; L307-L310 HydrophobicContact CB-CG 4.1Å; L307-L310 HydrophobicContact CD1-CD1 3.92Å; L307-L310 HydrophobicContact CG-CD1 4.43Å; L307-L310 PolarHBondContact O-N 3.22Å; P308-L310 PolarHBondContact O-N 2.94Å; L310-Y316 HydrophobicContact CB-CD2 4.28Å; L310-Y316 HydrophobicContact CD2-CD2 3.86Å; L310-Y316 HydrophobicContact CD2-CE2 3.71Å; L310-Y316 WeakPolarHBondContact O-CB 3.26Å; L310-L329 HydrophobicContact CD1-CD1 4.02Å; L310-I332 HydrophobicContact CD1-CG2 4.04Å; L310-I332 HydrophobicContact CD2-CD1 4.3Å; L310-L333 HydrophobicContact CD1-CD2 4.25Å
311	I	97.5	Very high	97.8	Very high	35 Å²	35	61 Å²	61	18%	0.179	31%	0.314	C	S	.	.	H	α-helix	trans	-68.5	-44.1	-176.3	-57.7	176.2	0	0	0	110.6	A299 C302 K303 P308 E309	A299-I311 HydrophobicContact CB-CD1 4.08Å; A299-I311 HydrophobicContact CB-CG1 4.25Å; A299-I311 HydrophobicContact CB-CG2 3.83Å; C302-I311 HydrophobicContact CB-CD1 3.94Å; C302-I311 HydrophobicContact CB-CG1 3.54Å; K303-I311 HydrophobicContact CG-CD1 3.99Å; P308-I311 VanDerWaalsContact O-CB 3.3Å; P308-I311 WeakPolarHBondContact O-CB 3.26Å; P308-I311 VanDerWaalsContact O-CG1 3.23Å; P308-I311 WeakPolarHBondContact O-CG1 3.36Å; P308-I311 PolarHBondContact O-N 3.39Å; P308-I311 VanDerWaalsContact O-N 3.16Å; E309-I311 PolarHBondContact O-N 3.36Å
312	D	95.7	Very high	97.8	Very high	128 Å²	128	61 Å²	61	68%	0.684	31%	0.314	S	S	*	.	H	α-helix	trans	-99	-3	-175.9	-69.4	-51.2	0	0	0	113.3	S314	D312-S314 PolarHBondContact O-N 3.26Å
313	D	97.9	Very high	97.8	Very high	55 Å²	55	63 Å²	63	29%	0.294	33%	0.327	S	S	.	.			trans	-57.8	128.4	174.8	-167.5	-42.5	0	0	0	111	E309 K315 Y316 K317	E309-D313 PolarHBondContact O-N 2.69Å; D313-K315 PolarHBondContact O-N 3.24Å; D313-K315 WeakPolarHBondContact OD1-CB 3.36Å; D313-K315 PolarHBondContact OD1-N 3.14Å; D313-Y316 HydrophobicContact CB-CD2 3.8Å; D313-Y316 HydrophobicContact CB-CE2 4.42Å; D313-Y316 PolarHBondContact O-N 3.09Å; D313-K317 PolarHBondContact O-N 2.95Å
314	S	97.4	Very high	97.7	Very high	97 Å²	97	62.2 Å²	62.2	68%	0.678	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-27.9	176.2	65.4	0	0	0	0	114	D312	D312-S314 PolarHBondContact O-N 3.26Å
315	K	97.6	Very high	97.7	Very high	73 Å²	73	63 Å²	63	32%	0.317	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-22.1	176.9	-66	-178.1	179.4	-179.2	0	113.9	D313 L321 N325 E328	D313-K315 PolarHBondContact O-N 3.24Å; D313-K315 WeakPolarHBondContact OD1-CB 3.36Å; D313-K315 PolarHBondContact OD1-N 3.14Å; K315-L321 CarbonylContact O-C 3.15Å; K315-L321 WeakPolarHBondContact O-CB 3.36Å; K315-N325 HydrophobicContact CB-CB 4.35Å; K315-N325 PolarHBondContact O-ND2 3.43Å; K315-E328 IonicContact NZ-OE1 2.83Å; K315-E328 PolarHBondContact NZ-OE1 3.29Å; K315-E328 IonicContact NZ-OE2 2.76Å; K315-E328 PolarHBondContact NZ-OE2 3.43Å
316	Y	98.3	Very high	97.7	Very high	2 Å²	2	64.4 Å²	64.4	1%	0.008	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.6	-4.3	-167.3	-50.1	-43.4	0	0	0	114.9	L310 D313 T318 R322 N325 E328 L329	L310-Y316 HydrophobicContact CB-CD2 4.28Å; L310-Y316 HydrophobicContact CD2-CD2 3.86Å; L310-Y316 HydrophobicContact CD2-CE2 3.71Å; L310-Y316 WeakPolarHBondContact O-CB 3.26Å; D313-Y316 HydrophobicContact CB-CD2 3.8Å; D313-Y316 HydrophobicContact CB-CE2 4.42Å; D313-Y316 PolarHBondContact O-N 3.09Å; Y316-T318 PolarHBondContact O-N 3.07Å; Y316-T318 VanDerWaalsContact O-N 3.08Å; Y316-R322 HydrophobicContact CD1-CG 4.33Å; Y316-R322 WeakPolarHBondContact O-CD 3.22Å; Y316-R322 WeakPolarHBondContact O-CG 3.22Å; Y316-R322 PolarHBondContact O-NH1 3.36Å; Y316-N325 HydrophobicContact CD1-CB 4.29Å; Y316-N325 HydrophobicContact CE1-CB 3.71Å; Y316-E328 VanDerWaalsContact OH-CD 3.26Å; Y316-E328 WeakPolarHBondContact OH-CG 3.04Å; Y316-E328 PolarHBondContact OH-OE2 3.37Å; Y316-L329 HydrophobicContact CD1-CB 4.01Å; Y316-L329 HydrophobicContact CD1-CD1 4.18Å; Y316-L329 HydrophobicContact CD1-CD2 3.85Å; Y316-L329 HydrophobicContact CD1-CG 4.24Å; Y316-L329 HydrophobicContact CD2-CD1 4.08Å; Y316-L329 HydrophobicContact CE1-CB 3.61Å; Y316-L329 HydrophobicContact CE1-CD1 4.26Å; Y316-L329 HydrophobicContact CE1-CD2 4.34Å; Y316-L329 HydrophobicContact CE1-CG 4.28Å; Y316-L329 HydrophobicContact CE2-CD1 4.15Å; Y316-L329 HydrophobicContact CG-CD1 4.11Å; Y316-L329 HydrophobicContact CG-CD2 4.23Å
317	K	95.9	Very high	97.6	Very high	128 Å²	128	67.2 Å²	67.2	56%	0.557	34%	0.341	S	S	*	.	S	Bend	trans	-53.2	-32.3	-177.5	-167.5	170	-172.3	167.9	0	115.3	N295 D313 L321	N295-K317 PolarHBondContact ND2-O 3.26Å; D313-K317 PolarHBondContact O-N 2.95Å; K317-L321 HydrophobicContact CB-CD1 4.45Å
318	T	97.8	Very high	97.6	Very high	53 Å²	53	70.2 Å²	70.2	33%	0.325	35%	0.354	S	S	.	.	S	Bend	trans	-127.4	155.7	177.6	74.8	0	0	0	0	111.7	N295 Y316 H320 L321 R322	N295-T318 WeakPolarHBondContact OD1-CA 3.04Å; Y316-T318 PolarHBondContact O-N 3.07Å; Y316-T318 VanDerWaalsContact O-N 3.08Å; T318-H320 PolarHBondContact O-N 2.97Å; T318-L321 HydrophobicContact CG2-CD1 4.19Å; T318-L321 PolarHBondContact O-N 3.01Å; T318-L321 VanDerWaalsContact O-N 3.08Å; T318-L321 WeakPolarHBondContact OG1-CD1 3.44Å; T318-L321 VanDerWaalsContact OG1-CG 3.31Å; T318-L321 WeakPolarHBondContact OG1-CG 3.14Å; T318-L321 PolarHBondContact OG1-N 3.23Å; T318-R322 WeakPolarHBondContact O-CG 3.29Å; T318-R322 PolarHBondContact O-N 2.66Å
319	N	98.1	Very high	97.7	Very high	41 Å²	41	67.2 Å²	67.2	22%	0.219	34%	0.335	C	S	.	.	H	α-helix	trans	-56.1	-38.5	177.2	-178.2	66.4	0	0	0	112.5	S274 I275 V276 N295 L321 R322 V323	S274-N319 PolarHBondContact O-ND2 2.78Å; I275-N319 WeakPolarHBondContact CA-OD1 3.3Å; V276-N319 PolarHBondContact N-OD1 3.02Å; V276-N319 VanDerWaalsContact N-OD1 3.13Å; N295-N319 PolarHBondContact OD1-N 2.9Å; N319-L321 VanDerWaalsContact C-N 3.33Å; N319-L321 PolarHBondContact O-N 2.79Å; N319-R322 VanDerWaalsContact CA-CZ 3.49Å; N319-R322 VanDerWaalsContact CA-NH2 3.33Å; N319-R322 PolarHBondContact O-N 3.27Å; N319-V323 VanDerWaalsContact O-CG2 3.28Å; N319-V323 WeakPolarHBondContact O-CG2 3.49Å; N319-V323 PolarHBondContact O-N 3.08Å
320	H	97.6	Very high	97.7	Very high	121 Å²	121	63 Å²	63	56%	0.56	32%	0.315	S	S	*	.	H	α-helix	trans	-59.4	-45.8	177.4	-176.2	73.5	0	0	0	111.7	T318 V323 Q324	T318-H320 PolarHBondContact O-N 2.97Å; H320-V323 PolarHBondContact O-N 3.43Å; H320-Q324 PolarHBondContact NE2-NE2 3.46Å; H320-Q324 WeakPolarHBondContact O-CG 3.4Å; H320-Q324 PolarHBondContact O-N 3.37Å
321	L	98.2	Very high	97.7	Very high	50 Å²	50	68.9 Å²	68.9	26%	0.262	34%	0.341	S	S	.	.	H	α-helix	trans	-66.9	-39.5	178	-62.7	165.2	0	0	0	111.2	K315 K317 T318 N319 V323 Q324 N325	K315-L321 CarbonylContact O-C 3.15Å; K315-L321 WeakPolarHBondContact O-CB 3.36Å; K317-L321 HydrophobicContact CB-CD1 4.45Å; T318-L321 HydrophobicContact CG2-CD1 4.19Å; T318-L321 PolarHBondContact O-N 3.01Å; T318-L321 VanDerWaalsContact O-N 3.08Å; T318-L321 WeakPolarHBondContact OG1-CD1 3.44Å; T318-L321 VanDerWaalsContact OG1-CG 3.31Å; T318-L321 WeakPolarHBondContact OG1-CG 3.14Å; T318-L321 PolarHBondContact OG1-N 3.23Å; N319-L321 VanDerWaalsContact C-N 3.33Å; N319-L321 PolarHBondContact O-N 2.79Å; L321-V323 VanDerWaalsContact C-N 3.32Å; L321-V323 PolarHBondContact O-N 2.99Å; L321-Q324 PolarHBondContact O-N 2.95Å; L321-N325 PolarHBondContact O-N 2.78Å; L321-N325 PolarHBondContact O-ND2 3.32Å
322	R	98.4	Very high	97.8	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-62.2	-37.5	172.7	-65.9	-171.1	-63.5	-86.7	6.3	112.7	V276 N295 Y316 T318 N319 N325 R326 L329	V276-R322 HydrophobicContact CB-CB 3.95Å; V276-R322 HydrophobicContact CG1-CB 4.18Å; V276-R322 WeakPolarHBondContact O-CD 3.41Å; V276-R322 PolarHBondContact O-NE 2.94Å; N295-R322 PolarHBondContact OD1-NH1 3.04Å; N295-R322 PolarHBondContact OD1-NH2 2.7Å; Y316-R322 HydrophobicContact CD1-CG 4.33Å; Y316-R322 WeakPolarHBondContact O-CD 3.22Å; Y316-R322 WeakPolarHBondContact O-CG 3.22Å; Y316-R322 PolarHBondContact O-NH1 3.36Å; T318-R322 WeakPolarHBondContact O-CG 3.29Å; T318-R322 PolarHBondContact O-N 2.66Å; N319-R322 VanDerWaalsContact CA-CZ 3.49Å; N319-R322 VanDerWaalsContact CA-NH2 3.33Å; N319-R322 PolarHBondContact O-N 3.27Å; R322-N325 CarbonylContact O-C 3.51Å; R322-R326 WeakPolarHBondContact O-CA 3.09Å; R322-R326 WeakPolarHBondContact O-CB 3.26Å; R322-R326 PolarHBondContact O-N 3.42Å; R322-L329 HydrophobicContact CB-CD2 3.92Å; R322-L329 HydrophobicContact CG-CD2 3.71Å
323	V	97.6	Very high	97.9	Very high	42 Å²	42	63.5 Å²	63.5	26%	0.255	31%	0.312	S	S	.	.	H	α-helix	trans	-65.9	-42.8	175.2	169.6	0	0	0	0	110.9	S274 V276 N319 H320 L321 R326	S274-V323 WeakPolarHBondContact O-CG2 3.35Å; V276-V323 HydrophobicContact CG2-CG2 3.91Å; N319-V323 VanDerWaalsContact O-CG2 3.28Å; N319-V323 WeakPolarHBondContact O-CG2 3.49Å; N319-V323 PolarHBondContact O-N 3.08Å; H320-V323 PolarHBondContact O-N 3.43Å; L321-V323 VanDerWaalsContact C-N 3.32Å; L321-V323 PolarHBondContact O-N 2.99Å; V323-R326 WeakPolarHBondContact O-CG 3.44Å
324	Q	98	Very high	98	Very high	120 Å²	120	62.3 Å²	62.3	56%	0.561	31%	0.308	S	S	*	.	H	α-helix	trans	-63	-42.8	176.1	-71.3	178.7	-16.2	0	0	112	H320 L321	H320-Q324 PolarHBondContact NE2-NE2 3.46Å; H320-Q324 WeakPolarHBondContact O-CG 3.4Å; H320-Q324 PolarHBondContact O-N 3.37Å; L321-Q324 PolarHBondContact O-N 2.95Å
325	N	98.1	Very high	98	Very high	46 Å²	46	62.5 Å²	62.5	25%	0.246	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	22.5	-176	-60.3	-69.7	0	0	0	113.4	K315 Y316 L321 R322 K327 E328 L329	K315-N325 HydrophobicContact CB-CB 4.35Å; K315-N325 PolarHBondContact O-ND2 3.43Å; Y316-N325 HydrophobicContact CD1-CB 4.29Å; Y316-N325 HydrophobicContact CE1-CB 3.71Å; L321-N325 PolarHBondContact O-N 2.78Å; L321-N325 PolarHBondContact O-ND2 3.32Å; R322-N325 CarbonylContact O-C 3.51Å; N325-K327 VanDerWaalsContact C-N 3.33Å; N325-K327 PolarHBondContact O-N 2.97Å; N325-E328 PolarHBondContact O-N 2.98Å; N325-L329 PolarHBondContact O-N 3.46Å
326	R	97.4	Very high	98	Very high	30 Å²	30	61.2 Å²	61.2	11%	0.113	29%	0.291	C	S	.	.	H	α-helix	trans	-59.5	-37.2	-167.9	62.2	165	43.3	-158.9	-10.3	114.8	W268 H272 G273 V276 R322 V323 E328 L329 I330	W268-R326 VanDerWaalsContact CH2-NH1 3.34Å; H272-R326 PolarHBondContact O-NH2 3.44Å; G273-R326 PolarHBondContact O-NH2 2.92Å; V276-R326 HydrophobicContact CG1-CB 4.36Å; V276-R326 HydrophobicContact CG2-CB 4.03Å; R322-R326 WeakPolarHBondContact O-CA 3.09Å; R322-R326 WeakPolarHBondContact O-CB 3.26Å; R322-R326 PolarHBondContact O-N 3.42Å; V323-R326 WeakPolarHBondContact O-CG 3.44Å; R326-E328 VanDerWaalsContact C-N 3.32Å; R326-E328 PolarHBondContact O-N 3.18Å; R326-L329 PolarHBondContact O-N 2.77Å; R326-I330 VanDerWaalsContact O-CB 3.23Å; R326-I330 WeakPolarHBondContact O-CB 3.48Å; R326-I330 WeakPolarHBondContact O-CG1 3.37Å; R326-I330 PolarHBondContact O-N 3.49Å
327	K	97.3	Very high	98.1	Very high	181 Å²	181	61.1 Å²	61.1	79%	0.787	29%	0.291	S	S	*	.	H	α-helix	trans	-62	-44.3	-175.2	-70.1	-171.9	175.5	-172.7	0	110.9	N325 K331	N325-K327 VanDerWaalsContact C-N 3.33Å; N325-K327 PolarHBondContact O-N 2.97Å; K327-K331 WeakPolarHBondContact O-CB 3.4Å; K327-K331 PolarHBondContact O-N 2.9Å
328	E	98.4	Very high	98.2	Very high	88 Å²	88	59.5 Å²	59.5	41%	0.411	29%	0.285	S	S	.	.	H	α-helix	trans	-68.5	-50.4	178	-171.1	-178.2	-176.3	0	0	110.9	K315 Y316 N325 R326 I330 K331 I332	K315-E328 IonicContact NZ-OE1 2.83Å; K315-E328 PolarHBondContact NZ-OE1 3.29Å; K315-E328 IonicContact NZ-OE2 2.76Å; K315-E328 PolarHBondContact NZ-OE2 3.43Å; Y316-E328 VanDerWaalsContact OH-CD 3.26Å; Y316-E328 WeakPolarHBondContact OH-CG 3.04Å; Y316-E328 PolarHBondContact OH-OE2 3.37Å; N325-E328 PolarHBondContact O-N 2.98Å; R326-E328 VanDerWaalsContact C-N 3.32Å; R326-E328 PolarHBondContact O-N 3.18Å; E328-I330 PolarHBondContact O-N 3.2Å; E328-K331 WeakPolarHBondContact O-CB 2.9Å; E328-K331 PolarHBondContact O-N 2.66Å; E328-I332 HydrophobicContact CG-CD1 4.47Å; E328-I332 WeakPolarHBondContact O-CG1 3.44Å; E328-I332 PolarHBondContact O-N 3.07Å
329	L	98.6	Very high	98.2	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-60.2	-47.4	-178.9	-179.1	57.3	0	0	0	112.3	V276 F298 L310 Y316 R322 N325 R326 K331 I332 L333	V276-L329 HydrophobicContact CG1-CD2 3.9Å; F298-L329 HydrophobicContact CE2-CD1 4.17Å; F298-L329 HydrophobicContact CE2-CD2 3.9Å; F298-L329 HydrophobicContact CZ-CD1 4.18Å; F298-L329 HydrophobicContact CZ-CD2 4.17Å; L310-L329 HydrophobicContact CD1-CD1 4.02Å; Y316-L329 HydrophobicContact CD1-CB 4.01Å; Y316-L329 HydrophobicContact CD1-CD1 4.18Å; Y316-L329 HydrophobicContact CD1-CD2 3.85Å; Y316-L329 HydrophobicContact CD1-CG 4.24Å; Y316-L329 HydrophobicContact CD2-CD1 4.08Å; Y316-L329 HydrophobicContact CE1-CB 3.61Å; Y316-L329 HydrophobicContact CE1-CD1 4.26Å; Y316-L329 HydrophobicContact CE1-CD2 4.34Å; Y316-L329 HydrophobicContact CE1-CG 4.28Å; Y316-L329 HydrophobicContact CE2-CD1 4.15Å; Y316-L329 HydrophobicContact CG-CD1 4.11Å; Y316-L329 HydrophobicContact CG-CD2 4.23Å; R322-L329 HydrophobicContact CB-CD2 3.92Å; R322-L329 HydrophobicContact CG-CD2 3.71Å; N325-L329 PolarHBondContact O-N 3.46Å; R326-L329 PolarHBondContact O-N 2.77Å; L329-K331 VanDerWaalsContact C-N 3.26Å; L329-K331 PolarHBondContact O-N 2.89Å; L329-I332 PolarHBondContact O-N 3.41Å; L329-L333 HydrophobicContact CD1-CD1 4.16Å; L329-L333 HydrophobicContact CD1-CD2 4.43Å; L329-L333 HydrophobicContact CD1-CG 4.1Å; L329-L333 HydrophobicContact CG-CD1 4Å; L329-L333 HydrophobicContact CG-CG 4.34Å; L329-L333 WeakPolarHBondContact O-CG 3.21Å; L329-L333 PolarHBondContact O-N 3.04Å
330	I	98.2	Very high	98.2	Very high	24 Å²	24	62.8 Å²	62.8	12%	0.123	30%	0.295	C	S	.	.	H	α-helix	trans	-64.2	-33.7	-179.1	-69.1	-56.6	0	0	0	111.2	V276 P277 Q279 F281 R326 E328 L333 S334	V276-I330 HydrophobicContact CG1-CD1 3.94Å; V276-I330 HydrophobicContact CG1-CG1 4.26Å; P277-I330 HydrophobicContact CB-CD1 4.22Å; Q279-I330 HydrophobicContact CG-CD1 4.3Å; Q279-I330 VanDerWaalsContact NE2-CG2 3.32Å; F281-I330 HydrophobicContact CE1-CD1 3.91Å; F281-I330 HydrophobicContact CE1-CG2 4.23Å; F281-I330 HydrophobicContact CZ-CD1 3.74Å; R326-I330 VanDerWaalsContact O-CB 3.23Å; R326-I330 WeakPolarHBondContact O-CB 3.48Å; R326-I330 WeakPolarHBondContact O-CG1 3.37Å; R326-I330 PolarHBondContact O-N 3.49Å; E328-I330 PolarHBondContact O-N 3.2Å; I330-L333 HydrophobicContact CD1-CD1 4.39Å; I330-S334 VanDerWaalsContact O-CB 3.22Å; I330-S334 WeakPolarHBondContact O-CB 3.31Å; I330-S334 PolarHBondContact O-N 2.86Å; I330-S334 PolarHBondContact O-OG 3.29Å
331	K	98.4	Very high	98.3	Very high	132 Å²	132	60.6 Å²	60.6	57%	0.574	29%	0.288	S	S	*	.	H	α-helix	trans	-60.2	-51.4	174.1	-178.1	-179	171	-174.7	0	110.9	K327 E328 L329 L333 S334 E335	K327-K331 WeakPolarHBondContact O-CB 3.4Å; K327-K331 PolarHBondContact O-N 2.9Å; E328-K331 WeakPolarHBondContact O-CB 2.9Å; E328-K331 PolarHBondContact O-N 2.66Å; L329-K331 VanDerWaalsContact C-N 3.26Å; L329-K331 PolarHBondContact O-N 2.89Å; K331-L333 PolarHBondContact O-N 3.17Å; K331-S334 PolarHBondContact O-N 3.34Å; K331-E335 WeakPolarHBondContact CE-OE1 3.49Å; K331-E335 IonicContact NZ-OE1 3.94Å; K331-E335 WeakPolarHBondContact O-CG 3.46Å; K331-E335 PolarHBondContact O-N 3.01Å
332	I	98.6	Very high	98.3	Very high	50 Å²	50	59 Å²	59	26%	0.256	28%	0.28	S	S	.	.	H	α-helix	trans	-58.3	-48.7	178.8	-60.8	164.5	0	0	0	110.9	L307 L310 E328 L329 S334 E335 R336	L307-I332 HydrophobicContact CD1-CG2 4Å; L310-I332 HydrophobicContact CD1-CG2 4.04Å; L310-I332 HydrophobicContact CD2-CD1 4.3Å; E328-I332 HydrophobicContact CG-CD1 4.47Å; E328-I332 WeakPolarHBondContact O-CG1 3.44Å; E328-I332 PolarHBondContact O-N 3.07Å; L329-I332 PolarHBondContact O-N 3.41Å; I332-S334 VanDerWaalsContact C-N 3.34Å; I332-S334 PolarHBondContact O-N 3.22Å; I332-E335 PolarHBondContact O-N 3.26Å; I332-R336 PolarHBondContact O-N 3.31Å
333	L	98.7	Very high	98.3	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-63.9	-39.9	179.5	-61.2	178	0	0	0	111.8	P277 F281 L305 L307 L310 L329 I330 K331 R336 F337	P277-L333 HydrophobicContact CB-CD1 3.81Å; P277-L333 HydrophobicContact CG-CD1 3.9Å; F281-L333 HydrophobicContact CE1-CB 3.86Å; F281-L333 HydrophobicContact CZ-CB 4.28Å; F281-L333 HydrophobicContact CZ-CD1 4.28Å; L305-L333 HydrophobicContact CD1-CD2 3.51Å; L307-L333 HydrophobicContact CD1-CD2 4.25Å; L310-L333 HydrophobicContact CD1-CD2 4.25Å; L329-L333 HydrophobicContact CD1-CD1 4.16Å; L329-L333 HydrophobicContact CD1-CD2 4.43Å; L329-L333 HydrophobicContact CD1-CG 4.1Å; L329-L333 HydrophobicContact CG-CD1 4Å; L329-L333 HydrophobicContact CG-CG 4.34Å; L329-L333 WeakPolarHBondContact O-CG 3.21Å; L329-L333 PolarHBondContact O-N 3.04Å; I330-L333 HydrophobicContact CD1-CD1 4.39Å; K331-L333 PolarHBondContact O-N 3.17Å; L333-R336 PolarHBondContact O-N 3.43Å; L333-F337 WeakPolarHBondContact O-CD2 3.19Å; L333-F337 PolarHBondContact O-N 3.22Å
334	S	98.4	Very high	98.3	Very high	30 Å²	30	65.1 Å²	65.1	21%	0.21	31%	0.312	C	S	.	.	H	α-helix	trans	-65.7	-45.6	-179.9	-57.6	0	0	0	0	111.8	F281 I330 K331 I332 R336 F337 E338	F281-S334 WeakPolarHBondContact CD1-OG 3.43Å; I330-S334 VanDerWaalsContact O-CB 3.22Å; I330-S334 WeakPolarHBondContact O-CB 3.31Å; I330-S334 PolarHBondContact O-N 2.86Å; I330-S334 PolarHBondContact O-OG 3.29Å; K331-S334 PolarHBondContact O-N 3.34Å; I332-S334 VanDerWaalsContact C-N 3.34Å; I332-S334 PolarHBondContact O-N 3.22Å; S334-R336 PolarHBondContact O-N 3.2Å; S334-F337 PolarHBondContact O-N 3.08Å; S334-E338 WeakPolarHBondContact O-CG 3.35Å; S334-E338 PolarHBondContact O-N 2.72Å; S334-E338 VanDerWaalsContact O-N 3.07Å
335	E	98.5	Very high	98.3	Very high	102 Å²	102	59.4 Å²	59.4	48%	0.477	29%	0.286	S	S	.	.	H	α-helix	trans	-54.6	-43.8	175.5	-74	170.2	-179.4	0	0	110.4	K331 I332 E338	K331-E335 WeakPolarHBondContact CE-OE1 3.49Å; K331-E335 IonicContact NZ-OE1 3.94Å; K331-E335 WeakPolarHBondContact O-CG 3.46Å; K331-E335 PolarHBondContact O-N 3.01Å; I332-E335 PolarHBondContact O-N 3.26Å; E335-E338 PolarHBondContact O-N 3.36Å
336	R	98.5	Very high	98.3	Very high	46 Å²	46	59.4 Å²	59.4	17%	0.174	29%	0.285	C	S	.	.	H	α-helix	trans	-66.5	-45.8	177.9	-172.8	58	176.9	105.5	8.8	113.2	L305 L307 I332 L333 S334 E338 E339 W345	L305-R336 HydrophobicContact CB-CG 3.96Å; L305-R336 HydrophobicContact CD2-CG 3.89Å; L305-R336 HydrophobicContact CG-CG 4.39Å; L305-R336 PolarHBondContact O-NE 3.5Å; L305-R336 PolarHBondContact O-NH2 2.74Å; L307-R336 HydrophobicContact CD1-CB 4.15Å; L307-R336 HydrophobicContact CD1-CG 4.22Å; I332-R336 PolarHBondContact O-N 3.31Å; L333-R336 PolarHBondContact O-N 3.43Å; S334-R336 PolarHBondContact O-N 3.2Å; R336-E338 PolarHBondContact O-N 3Å; R336-E339 VanDerWaalsContact CD-OE2 3.24Å; R336-E339 WeakPolarHBondContact CD-OE2 3.35Å; R336-E339 IonicContact CZ-OE2 3.98Å; R336-E339 IonicContact NE-OE2 3.86Å; R336-E339 IonicContact NH1-OE2 2.72Å; R336-E339 PolarHBondContact NH1-OE2 3.21Å; R336-E339 WeakPolarHBondContact O-CB 3.26Å; R336-E339 PolarHBondContact O-N 2.94Å; R336-W345 HydrophobicContact CG-CH2 4.36Å; R336-W345 VanDerWaalsContact O-CZ2 3.27Å; R336-W345 WeakPolarHBondContact O-CZ2 3.12Å
337	F	98.6	Very high	98.4	Very high	0 Å²	0	64 Å²	64	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-62.2	-29.5	178.9	-82.8	-66.5	0	0	0	113.1	F281 K282 T283 I288 V290 L305 L333 S334 E339 W345 F349	F281-F337 HydrophobicContact CB-CB 3.87Å; F281-F337 HydrophobicContact CB-CD2 3.52Å; F281-F337 HydrophobicContact CB-CE2 4.21Å; F281-F337 HydrophobicContact CB-CG 3.76Å; F281-F337 AromaticContact CD1-CD2 3.7Å; F281-F337 HydrophobicContact CD1-CD2 3.7Å; F281-F337 HydrophobicContact CD1-CE2 4.17Å; F281-F337 AromaticContact CD2-CD2 3.8Å; F281-F337 HydrophobicContact CD2-CD2 3.8Å; F281-F337 AromaticContact CD2-CE2 3.62Å; F281-F337 HydrophobicContact CD2-CE2 3.62Å; F281-F337 HydrophobicContact CD2-CZ 4.34Å; F281-F337 HydrophobicContact CE1-CD2 4.33Å; F281-F337 HydrophobicContact CE1-CE2 4.45Å; F281-F337 HydrophobicContact CE2-CD2 4.43Å; F281-F337 AromaticContact CE2-CE2 3.96Å; F281-F337 HydrophobicContact CE2-CE2 3.96Å; F281-F337 AromaticContact CG-CD2 3.38Å; F281-F337 HydrophobicContact CG-CD2 3.38Å; F281-F337 AromaticContact CG-CE2 3.73Å; F281-F337 HydrophobicContact CG-CE2 3.73Å; F281-F337 HydrophobicContact CG-CG 4.15Å; F281-F337 HydrophobicContact CZ-CE2 4.35Å; K282-F337 CarbonylContact O-C 3.51Å; T283-F337 WeakPolarHBondContact CA-O 3.38Å; I288-F337 HydrophobicContact CG2-CD1 3.66Å; I288-F337 HydrophobicContact CG2-CE1 3.8Å; I288-F337 HydrophobicContact CG2-CG 4.32Å; V290-F337 HydrophobicContact CB-CZ 4.37Å; V290-F337 HydrophobicContact CG2-CE1 4.08Å; V290-F337 HydrophobicContact CG2-CZ 3.69Å; L305-F337 HydrophobicContact CD1-CD2 4.45Å; L305-F337 HydrophobicContact CD1-CE2 3.82Å; L305-F337 HydrophobicContact CD1-CZ 3.97Å; L305-F337 HydrophobicContact CD2-CD1 4.02Å; L305-F337 HydrophobicContact CD2-CD2 4.42Å; L305-F337 HydrophobicContact CD2-CE1 3.73Å; L305-F337 HydrophobicContact CD2-CE2 4.13Å; L305-F337 HydrophobicContact CD2-CG 4.35Å; L305-F337 HydrophobicContact CD2-CZ 3.77Å; L305-F337 HydrophobicContact CG-CZ 4.31Å; L333-F337 WeakPolarHBondContact O-CD2 3.19Å; L333-F337 PolarHBondContact O-N 3.22Å; S334-F337 PolarHBondContact O-N 3.08Å; F337-E339 VanDerWaalsContact C-N 3.26Å; F337-E339 PolarHBondContact O-N 3.25Å; F337-W345 AromaticContact CD1-CD2 4Å; F337-W345 HydrophobicContact CD1-CD2 4Å; F337-W345 AromaticContact CD1-CE2 3.93Å; F337-W345 HydrophobicContact CD1-CG 4.09Å; F337-W345 AromaticContact CD1-NE1 3.91Å; F337-W345 HydrophobicContact CE1-CD2 4.33Å; F337-W345 HydrophobicContact CE1-CG 4.45Å; F337-W345 PolarHBondContact O-NE1 3.43Å; F337-F349 AromaticContact CE1-CE2 3.8Å; F337-F349 HydrophobicContact CE1-CE2 3.8Å; F337-F349 HydrophobicContact CE1-CZ 4.21Å; F337-F349 HydrophobicContact CZ-CE2 4.13Å; F337-F349 HydrophobicContact CZ-CZ 4.06Å
338	E	98.5	Very high	98.4	Very high	94 Å²	94	59 Å²	59	44%	0.439	29%	0.289	S	S	.	.	H	α-helix	trans	-70.4	-18.3	179.6	-75.4	-171.8	173.6	0	0	114.1	K282 S334 E335 R336 E340	K282-E338 HydrophobicContact CB-CG 4.19Å; K282-E338 HydrophobicContact CG-CG 4.44Å; K282-E338 WeakPolarHBondContact O-CG 3.37Å; K282-E338 PolarHBondContact O-N 3.09Å; S334-E338 WeakPolarHBondContact O-CG 3.35Å; S334-E338 PolarHBondContact O-N 2.72Å; S334-E338 VanDerWaalsContact O-N 3.07Å; E335-E338 PolarHBondContact O-N 3.36Å; R336-E338 PolarHBondContact O-N 3Å; E338-E340 VanDerWaalsContact C-N 3.3Å; E338-E340 PolarHBondContact O-N 2.97Å
339	E	98.4	Very high	98.4	Very high	111 Å²	111	54.8 Å²	54.8	52%	0.519	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-25.5	-175.4	-66.6	176.3	173.1	0	0	113.6	R336 F337	R336-E339 VanDerWaalsContact CD-OE2 3.24Å; R336-E339 WeakPolarHBondContact CD-OE2 3.35Å; R336-E339 IonicContact CZ-OE2 3.98Å; R336-E339 IonicContact NE-OE2 3.86Å; R336-E339 IonicContact NH1-OE2 2.72Å; R336-E339 PolarHBondContact NH1-OE2 3.21Å; R336-E339 WeakPolarHBondContact O-CB 3.26Å; R336-E339 PolarHBondContact O-N 2.94Å; F337-E339 VanDerWaalsContact C-N 3.26Å; F337-E339 PolarHBondContact O-N 3.25Å
340	E	98.6	Very high	98.4	Very high	51 Å²	51	61.1 Å²	61.1	24%	0.238	30%	0.299	C	S	.	.	S	Bend	trans	-127.1	160.6	-170.9	-60.3	-71.8	-172.7	0	0	112.9	K284 E338 K344 W345	K284-E340 VanDerWaalsContact CB-O 3.3Å; K284-E340 WeakPolarHBondContact CB-O 3.24Å; K284-E340 PolarHBondContact N-O 3.26Å; E338-E340 VanDerWaalsContact C-N 3.3Å; E338-E340 PolarHBondContact O-N 2.97Å; E340-K344 HydrophobicContact CB-CB 4.46Å; E340-K344 HydrophobicContact CB-CD 3.99Å; E340-K344 VanDerWaalsContact CD-CD 3.45Å; E340-K344 HydrophobicContact CG-CD 3.89Å; E340-K344 IonicContact OE1-NZ 3.81Å; E340-K344 PolarHBondContact OE1-NZ 2.93Å; E340-K344 WeakPolarHBondContact OE2-CD 3.27Å; E340-K344 IonicContact OE2-NZ 2.83Å; E340-K344 PolarHBondContact OE2-NZ 2.81Å; E340-W345 HydrophobicContact CB-CD2 4.37Å; E340-W345 HydrophobicContact CB-CZ2 3.7Å; E340-W345 HydrophobicContact CG-CH2 4.25Å; E340-W345 HydrophobicContact CG-CZ2 3.74Å
341	L	98.6	Very high	98.3	Very high	76 Å²	76	64 Å²	64	40%	0.398	34%	0.335	S	S	.	.			trans	-67.4	149.5	176	-60.4	173.6	0	0	0	110.9	K284 D285 S343 K344 W345	K284-L341 HydrophobicContact CB-CD2 4.17Å; K284-L341 HydrophobicContact CD-CD2 4.12Å; K284-L341 HydrophobicContact CG-CD2 4.23Å; D285-L341 HydrophobicContact CB-CD2 3.95Å; L341-S343 VanDerWaalsContact C-N 3.25Å; L341-S343 PolarHBondContact O-N 3.43Å; L341-K344 PolarHBondContact O-N 3.49Å; L341-W345 PolarHBondContact O-N 3.12Å
342	T	98.4	Very high	98.3	Very high	17 Å²	17	59.2 Å²	59.2	10%	0.104	32%	0.318	C	S	.	.	H	α-helix	trans	-52	-46	176.8	-52.4	0	0	0	0	111.4	T283 D285 K344 W345 L346 P358	T283-T342 PolarHBondContact OG1-OG1 3.19Å; D285-T342 WeakPolarHBondContact OD1-CB 3.49Å; D285-T342 PolarHBondContact OD1-N 3.3Å; D285-T342 PolarHBondContact OD1-OG1 3.26Å; T342-K344 VanDerWaalsContact C-N 3.32Å; T342-K344 PolarHBondContact O-N 3.02Å; T342-W345 PolarHBondContact O-N 3.07Å; T342-L346 HydrophobicContact CG2-CD1 4.31Å; T342-L346 HydrophobicContact CG2-CG 4.37Å; T342-L346 WeakPolarHBondContact O-CG 3.45Å; T342-L346 PolarHBondContact O-N 3.07Å; T342-P358 HydrophobicContact CG2-CB 4.17Å
343	S	97.8	Very high	98.1	Very high	74 Å²	74	60 Å²	60	52%	0.517	34%	0.339	S	S	.	.	H	α-helix	trans	-61	-37	-179.5	55.4	0	0	0	0	113.5	L341 L346 H347	L341-S343 VanDerWaalsContact C-N 3.25Å; L341-S343 PolarHBondContact O-N 3.43Å; S343-L346 PolarHBondContact O-N 3.22Å; S343-H347 PolarHBondContact O-N 3.19Å
344	K	98.4	Very high	98.1	Very high	95 Å²	95	60.4 Å²	60.4	41%	0.413	34%	0.341	S	S	.	.	H	α-helix	trans	-66.3	-43	176.7	-169.8	-176.7	-174.3	176.4	0	110.7	E340 L341 T342 H347 L348	E340-K344 HydrophobicContact CB-CB 4.46Å; E340-K344 HydrophobicContact CB-CD 3.99Å; E340-K344 VanDerWaalsContact CD-CD 3.45Å; E340-K344 HydrophobicContact CG-CD 3.89Å; E340-K344 IonicContact OE1-NZ 3.81Å; E340-K344 PolarHBondContact OE1-NZ 2.93Å; E340-K344 WeakPolarHBondContact OE2-CD 3.27Å; E340-K344 IonicContact OE2-NZ 2.83Å; E340-K344 PolarHBondContact OE2-NZ 2.81Å; L341-K344 PolarHBondContact O-N 3.49Å; T342-K344 VanDerWaalsContact C-N 3.32Å; T342-K344 PolarHBondContact O-N 3.02Å; K344-H347 PolarHBondContact O-N 2.71Å; K344-L348 HydrophobicContact CG-CD1 4.28Å; K344-L348 WeakPolarHBondContact O-CG 3.47Å; K344-L348 PolarHBondContact O-N 3.03Å
345	W	98.6	Very high	98	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-61.4	-47.9	174.1	-68.3	126.1	0	0	0	112	I288 L305 R336 F337 E340 L341 T342 H347 L348 F349	I288-W345 HydrophobicContact CD1-CB 3.74Å; L305-W345 HydrophobicContact CD2-CE3 4.24Å; L305-W345 HydrophobicContact CD2-CH2 3.76Å; L305-W345 HydrophobicContact CD2-CZ2 4.38Å; L305-W345 HydrophobicContact CD2-CZ3 3.69Å; R336-W345 HydrophobicContact CG-CH2 4.36Å; R336-W345 VanDerWaalsContact O-CZ2 3.27Å; R336-W345 WeakPolarHBondContact O-CZ2 3.12Å; F337-W345 AromaticContact CD1-CD2 4Å; F337-W345 HydrophobicContact CD1-CD2 4Å; F337-W345 AromaticContact CD1-CE2 3.93Å; F337-W345 HydrophobicContact CD1-CG 4.09Å; F337-W345 AromaticContact CD1-NE1 3.91Å; F337-W345 HydrophobicContact CE1-CD2 4.33Å; F337-W345 HydrophobicContact CE1-CG 4.45Å; F337-W345 PolarHBondContact O-NE1 3.43Å; E340-W345 HydrophobicContact CB-CD2 4.37Å; E340-W345 HydrophobicContact CB-CZ2 3.7Å; E340-W345 HydrophobicContact CG-CH2 4.25Å; E340-W345 HydrophobicContact CG-CZ2 3.74Å; L341-W345 PolarHBondContact O-N 3.12Å; T342-W345 PolarHBondContact O-N 3.07Å; W345-H347 PolarHBondContact O-N 3.4Å; W345-L348 HydrophobicContact CE3-CD1 3.68Å; W345-L348 HydrophobicContact CZ3-CD1 3.65Å; W345-L348 PolarHBondContact O-N 3.24Å; W345-F349 VanDerWaalsContact O-CD2 3.29Å; W345-F349 WeakPolarHBondContact O-CD2 3.43Å; W345-F349 PolarHBondContact O-N 3.42Å
346	L	98.1	Very high	98	Very high	46 Å²	46	61.6 Å²	61.6	24%	0.241	35%	0.347	C	S	.	.	H	α-helix	trans	-54	-43	177.5	-64.5	178.1	0	0	0	111.6	I288 T342 S343 F349 E350 Y356 P358	I288-L346 HydrophobicContact CD1-CD2 3.95Å; I288-L346 HydrophobicContact CG1-CD2 4.29Å; T342-L346 HydrophobicContact CG2-CD1 4.31Å; T342-L346 HydrophobicContact CG2-CG 4.37Å; T342-L346 WeakPolarHBondContact O-CG 3.45Å; T342-L346 PolarHBondContact O-N 3.07Å; S343-L346 PolarHBondContact O-N 3.22Å; L346-F349 PolarHBondContact O-N 3.49Å; L346-E350 PolarHBondContact O-N 2.96Å; L346-Y356 HydrophobicContact CB-CE2 4.27Å; L346-Y356 HydrophobicContact CD2-CD2 3.6Å; L346-Y356 HydrophobicContact CD2-CE2 3.73Å; L346-Y356 WeakPolarHBondContact O-CE2 3.41Å; L346-Y356 PolarHBondContact O-OH 3.21Å; L346-P358 HydrophobicContact CD1-CB 4.37Å; L346-P358 HydrophobicContact CD1-CG 4.21Å
347	H	98.3	Very high	98	Very high	127 Å²	127	60.3 Å²	60.3	59%	0.588	35%	0.347	S	S	*	.	H	α-helix	trans	-65.4	-43.7	176.1	-177.9	56.9	0	0	0	113.1	S343 K344 W345 F349 E350	S343-H347 PolarHBondContact O-N 3.19Å; K344-H347 PolarHBondContact O-N 2.71Å; W345-H347 PolarHBondContact O-N 3.4Å; H347-F349 PolarHBondContact O-N 3.35Å; H347-E350 IonicContact ND1-OE2 3.6Å; H347-E350 PolarHBondContact ND1-OE2 3.45Å; H347-E350 WeakPolarHBondContact O-CB 3.48Å; H347-E350 PolarHBondContact O-N 3.28Å; H347-E350 VanDerWaalsContact O-N 3.13Å
348	L	98.4	Very high	97.9	Very high	75 Å²	75	62.5 Å²	62.5	39%	0.393	36%	0.362	S	S	.	.	H	α-helix	trans	-65.3	-28.1	178.3	-70.7	171.9	0	0	0	113.2	I304 K344 W345	I304-L348 HydrophobicContact CG2-CB 3.94Å; K344-L348 HydrophobicContact CG-CD1 4.28Å; K344-L348 WeakPolarHBondContact O-CG 3.47Å; K344-L348 PolarHBondContact O-N 3.03Å; W345-L348 HydrophobicContact CE3-CD1 3.68Å; W345-L348 HydrophobicContact CZ3-CD1 3.65Å; W345-L348 PolarHBondContact O-N 3.24Å
349	F	98.4	Very high	97.9	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-84.2	-10.6	175.7	-85.4	-85.2	0	0	0	113.7	I288 V290 V301 I304 F337 W345 L346 H347 G351 S352 V354 Y356	I288-F349 HydrophobicContact CD1-CD2 4.24Å; V290-F349 HydrophobicContact CG1-CE1 3.99Å; V290-F349 HydrophobicContact CG1-CZ 4.13Å; V290-F349 HydrophobicContact CG2-CE1 4.44Å; V290-F349 HydrophobicContact CG2-CE2 4.37Å; V290-F349 HydrophobicContact CG2-CZ 4.08Å; V301-F349 HydrophobicContact CG1-CZ 4.44Å; V301-F349 HydrophobicContact CG2-CE1 4.02Å; V301-F349 HydrophobicContact CG2-CZ 4.42Å; I304-F349 HydrophobicContact CB-CZ 4.38Å; I304-F349 HydrophobicContact CD1-CD1 3.61Å; I304-F349 HydrophobicContact CD1-CE1 3.7Å; I304-F349 HydrophobicContact CD1-CG 4.1Å; I304-F349 HydrophobicContact CD1-CZ 4.27Å; I304-F349 HydrophobicContact CG2-CD2 3.92Å; I304-F349 HydrophobicContact CG2-CE1 4.4Å; I304-F349 HydrophobicContact CG2-CE2 3.62Å; I304-F349 HydrophobicContact CG2-CG 4.41Å; I304-F349 HydrophobicContact CG2-CZ 3.9Å; F337-F349 AromaticContact CE1-CE2 3.8Å; F337-F349 HydrophobicContact CE1-CE2 3.8Å; F337-F349 HydrophobicContact CE1-CZ 4.21Å; F337-F349 HydrophobicContact CZ-CE2 4.13Å; F337-F349 HydrophobicContact CZ-CZ 4.06Å; W345-F349 VanDerWaalsContact O-CD2 3.29Å; W345-F349 WeakPolarHBondContact O-CD2 3.43Å; W345-F349 PolarHBondContact O-N 3.42Å; L346-F349 PolarHBondContact O-N 3.49Å; H347-F349 PolarHBondContact O-N 3.35Å; F349-G351 PolarHBondContact O-N 3.21Å; F349-S352 WeakPolarHBondContact O-CB 3.39Å; F349-S352 PolarHBondContact O-N 3.34Å; F349-S352 VanDerWaalsContact O-N 3.14Å; F349-S352 PolarHBondContact O-OG 3.01Å; F349-V354 HydrophobicContact CD1-CB 4.25Å; F349-V354 HydrophobicContact CD1-CG1 4.34Å; F349-V354 HydrophobicContact CE1-CB 4.4Å; F349-V354 HydrophobicContact CE1-CG1 4.14Å; F349-Y356 HydrophobicContact CB-CD1 3.53Å; F349-Y356 HydrophobicContact CB-CD2 3.74Å; F349-Y356 HydrophobicContact CB-CE1 3.55Å; F349-Y356 HydrophobicContact CB-CE2 3.73Å; F349-Y356 HydrophobicContact CB-CG 3.65Å; F349-Y356 HydrophobicContact CD1-CD1 4.18Å; F349-Y356 HydrophobicContact CD1-CG 4.3Å; F349-Y356 HydrophobicContact CG-CD1 4.16Å; F349-Y356 HydrophobicContact CG-CD2 4.39Å; F349-Y356 HydrophobicContact CG-CG 4.06Å; F349-Y356 VanDerWaalsContact O-CE1 3.22Å; F349-Y356 WeakPolarHBondContact O-CE1 3.17Å
350	E	97.5	Very high	97.8	Very high	133 Å²	133	59.4 Å²	59.4	62%	0.621	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	131.7	-179	-166.2	171.9	-167.1	0	0	111.8	L346 H347 S352 Y356	L346-E350 PolarHBondContact O-N 2.96Å; H347-E350 IonicContact ND1-OE2 3.6Å; H347-E350 PolarHBondContact ND1-OE2 3.45Å; H347-E350 WeakPolarHBondContact O-CB 3.48Å; H347-E350 PolarHBondContact O-N 3.28Å; H347-E350 VanDerWaalsContact O-N 3.13Å; E350-S352 PolarHBondContact O-N 3.19Å; E350-S352 VanDerWaalsContact O-N 3.09Å; E350-Y356 WeakPolarHBondContact CA-OH 3.41Å; E350-Y356 PolarHBondContact N-OH 3.37Å
351	G	96.9	Very high	97.7	Very high	84 Å²	84	61.3 Å²	61.3	87%	0.866	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.5	-0.8	-177.8	0	0	0	0	0	116	F349 G353	F349-G351 PolarHBondContact O-N 3.21Å; G351-G353 VanDerWaalsContact C-N 3.26Å; G351-G353 PolarHBondContact O-N 3.26Å
352	S	97.3	Very high	97.6	Very high	33 Å²	33	63.5 Å²	63.5	23%	0.231	37%	0.373	C	S	.	.	S	Bend	trans	-69.7	-17.6	-175.4	68.7	0	0	0	0	115.2	F349 E350 V354	F349-S352 WeakPolarHBondContact O-CB 3.39Å; F349-S352 PolarHBondContact O-N 3.34Å; F349-S352 VanDerWaalsContact O-N 3.14Å; F349-S352 PolarHBondContact O-OG 3.01Å; E350-S352 PolarHBondContact O-N 3.19Å; E350-S352 VanDerWaalsContact O-N 3.09Å; S352-V354 PolarHBondContact O-N 2.62Å; S352-V354 PolarHBondContact OG-N 3.49Å
353	G	95.5	Very high	97.6	Very high	66 Å²	66	70.9 Å²	70.9	68%	0.68	40%	0.403	S	S	*	.	S	Bend	trans	73.7	1.1	-172.1	0	0	0	0	0	114.7	G351	G351-G353 VanDerWaalsContact C-N 3.26Å; G351-G353 PolarHBondContact O-N 3.26Å
354	V	97.7	Very high	97.6	Very high	8 Å²	8	70.8 Å²	70.8	5%	0.048	40%	0.397	C	S	.	.			trans	-82.7	137.2	170.5	178.2	0	0	0	0	108.9	V290 Q297 T300 V301 F349 S352 Y356	V290-V354 HydrophobicContact CG1-CG1 4.04Å; Q297-V354 HydrophobicContact CB-CG2 4.28Å; Q297-V354 HydrophobicContact CG-CG2 4.42Å; T300-V354 HydrophobicContact CG2-CG2 3.67Å; V301-V354 HydrophobicContact CG2-CG1 3.91Å; V301-V354 HydrophobicContact CG2-CG2 4.29Å; F349-V354 HydrophobicContact CD1-CB 4.25Å; F349-V354 HydrophobicContact CD1-CG1 4.34Å; F349-V354 HydrophobicContact CE1-CB 4.4Å; F349-V354 HydrophobicContact CE1-CG1 4.14Å; S352-V354 PolarHBondContact O-N 2.62Å; S352-V354 PolarHBondContact OG-N 3.49Å; V354-Y356 VanDerWaalsContact O-CD1 3.22Å; V354-Y356 WeakPolarHBondContact O-CD1 3.27Å
355	P	97.7	Very high	97.5	Very high	75 Å²	75	68.4 Å²	68.4	49%	0.487	39%	0.39	S	S	.	.			trans	-68.7	124.5	167.8	-24.2	33.3	0	0	0	112.8	G291	G291-P355 PolarHBondContact N-O 3.33Å; G291-P355 WeakPolarHBondContact O-CD 3.44Å
356	Y	98.1	Very high	97.5	Very high	83 Å²	83	72.4 Å²	72.4	33%	0.325	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	165.4	176.8	69.3	-80.3	0	0	0	111.9	I288 V289 L346 F349 E350 V354	I288-Y356 HydrophobicContact CD1-CD2 4.34Å; V289-Y356 CarbonylContact O-C 3.47Å; V289-Y356 WeakPolarHBondContact O-CA 3.45Å; L346-Y356 HydrophobicContact CB-CE2 4.27Å; L346-Y356 HydrophobicContact CD2-CD2 3.6Å; L346-Y356 HydrophobicContact CD2-CE2 3.73Å; L346-Y356 WeakPolarHBondContact O-CE2 3.41Å; L346-Y356 PolarHBondContact O-OH 3.21Å; F349-Y356 HydrophobicContact CB-CD1 3.53Å; F349-Y356 HydrophobicContact CB-CD2 3.74Å; F349-Y356 HydrophobicContact CB-CE1 3.55Å; F349-Y356 HydrophobicContact CB-CE2 3.73Å; F349-Y356 HydrophobicContact CB-CG 3.65Å; F349-Y356 HydrophobicContact CD1-CD1 4.18Å; F349-Y356 HydrophobicContact CD1-CG 4.3Å; F349-Y356 HydrophobicContact CG-CD1 4.16Å; F349-Y356 HydrophobicContact CG-CD2 4.39Å; F349-Y356 HydrophobicContact CG-CG 4.06Å; F349-Y356 VanDerWaalsContact O-CE1 3.22Å; F349-Y356 WeakPolarHBondContact O-CE1 3.17Å; E350-Y356 WeakPolarHBondContact CA-OH 3.41Å; E350-Y356 PolarHBondContact N-OH 3.37Å; V354-Y356 VanDerWaalsContact O-CD1 3.22Å; V354-Y356 WeakPolarHBondContact O-CD1 3.27Å
357	G	97.8	Very high	97.4	Very high	18 Å²	18	73.1 Å²	73.1	19%	0.186	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.9	161.5	170.5	0	0	0	0	0	113.3	V289	V289-G357 PolarHBondContact N-O 3.17Å; V289-G357 PolarHBondContact O-N 3.16Å
358	P	97.8	Very high	97.4	Very high	47 Å²	47	70.4 Å²	70.4	31%	0.305	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	159.8	177	33	-34.8	0	0	0	111.7	Y287 T342 L346 N360	Y287-P358 WeakPolarHBondContact O-CA 3.44Å; T342-P358 HydrophobicContact CG2-CB 4.17Å; L346-P358 HydrophobicContact CD1-CB 4.37Å; L346-P358 HydrophobicContact CD1-CG 4.21Å; P358-N360 PolarHBondContact O-N 3.35Å
359	I	97.4	Very high	97.3	Very high	90 Å²	90	71.2 Å²	71.2	46%	0.462	42%	0.418	S	S	.	.			trans	-84	102.5	163.1	-60.4	-175	0	0	0	108.7	A280 Y287 V289	A280-I359 HydrophobicContact CB-CD1 3.71Å; Y287-I359 HydrophobicContact CG-CD1 4.2Å; Y287-I359 PolarHBondContact O-N 3Å; V289-I359 HydrophobicContact CG2-CD1 4.21Å; V289-I359 HydrophobicContact CG2-CG1 3.81Å
360	N	97.1	Very high	97.2	Very high	50 Å²	50	76.1 Å²	76.1	27%	0.267	44%	0.441	S	S	.	.			trans	-85	140.5	-177.9	-78.6	-26.2	0	0	0	113	P358 N364 V365	P358-N360 PolarHBondContact O-N 3.35Å; N360-N364 HydrophobicContact CB-CB 3.85Å; N360-N364 WeakPolarHBondContact OD1-CB 3.46Å; N360-V365 HydrophobicContact CB-CG2 3.72Å
361	N	96.8	Very high	97.2	Very high	90 Å²	90	71 Å²	71	48%	0.481	42%	0.418	S	S	.	.			trans	-77.9	172.8	158.5	67	32.9	0	0	0	110.4	K363 N364 V365	N361-K363 VanDerWaalsContact C-N 3.32Å; N361-K363 PolarHBondContact O-N 3.25Å; N361-K363 WeakPolarHBondContact OD1-CB 3.44Å; N361-K363 PolarHBondContact OD1-N 3.3Å; N361-N364 PolarHBondContact O-N 3.37Å; N361-N364 VanDerWaalsContact O-N 3.11Å; N361-N364 PolarHBondContact OD1-N 3.05Å; N361-V365 WeakPolarHBondContact O-CG2 3.32Å; N361-V365 PolarHBondContact O-N 3.27Å
362	M	96.8	Very high	97.1	Very high	123 Å²	123	71.5 Å²	71.5	61%	0.606	40%	0.4	S	S	*	.	H	α-helix	trans	-62.2	-35.2	-175.7	-64.8	-58.9	98	0	0	113.7	N364 V365 F366	M362-N364 VanDerWaalsContact C-N 3.33Å; M362-N364 PolarHBondContact O-N 3.44Å; M362-V365 HydrophobicContact CE-CG2 4Å; M362-V365 PolarHBondContact O-N 3.07Å; M362-F366 WeakPolarHBondContact O-CD2 3.19Å; M362-F366 PolarHBondContact O-N 2.83Å; M362-F366 VanDerWaalsContact O-N 3.14Å
363	K	97.4	Very high	97	Very high	172 Å²	172	76 Å²	76	75%	0.748	42%	0.417	S	S	*	.	H	α-helix	trans	-59.2	-46	174.6	179.3	-175.7	176	-176.6	0	110.8	N361 A367	N361-K363 VanDerWaalsContact C-N 3.32Å; N361-K363 PolarHBondContact O-N 3.25Å; N361-K363 WeakPolarHBondContact OD1-CB 3.44Å; N361-K363 PolarHBondContact OD1-N 3.3Å; K363-A367 WeakPolarHBondContact O-CB 3.44Å; K363-A367 PolarHBondContact O-N 2.87Å; K363-A367 VanDerWaalsContact O-N 3.14Å
364	N	97.2	Very high	96.9	Very high	72 Å²	72	75.3 Å²	75.3	39%	0.385	40%	0.398	S	S	.	.	H	α-helix	trans	-72.2	-35.9	-179.5	-65.7	-4	0	0	0	112.1	N360 N361 M362 F366 A367 E368	N360-N364 HydrophobicContact CB-CB 3.85Å; N360-N364 WeakPolarHBondContact OD1-CB 3.46Å; N361-N364 PolarHBondContact O-N 3.37Å; N361-N364 VanDerWaalsContact O-N 3.11Å; N361-N364 PolarHBondContact OD1-N 3.05Å; M362-N364 VanDerWaalsContact C-N 3.33Å; M362-N364 PolarHBondContact O-N 3.44Å; N364-F366 VanDerWaalsContact C-N 3.35Å; N364-F366 PolarHBondContact O-N 3.12Å; N364-A367 PolarHBondContact O-N 3.36Å; N364-E368 PolarHBondContact O-N 3.09Å
365	V	97.8	Very high	96.7	Very high	45 Å²	45	79 Å²	79	27%	0.273	42%	0.424	S	S	.	.	H	α-helix	trans	-56.7	-48.9	174	170.1	0	0	0	0	110.8	N360 N361 M362 A367 E368 V371	N360-V365 HydrophobicContact CB-CG2 3.72Å; N361-V365 WeakPolarHBondContact O-CG2 3.32Å; N361-V365 PolarHBondContact O-N 3.27Å; M362-V365 HydrophobicContact CE-CG2 4Å; M362-V365 PolarHBondContact O-N 3.07Å; V365-A367 VanDerWaalsContact C-N 3.29Å; V365-A367 PolarHBondContact O-N 3.36Å; V365-E368 VanDerWaalsContact O-CB 3.3Å; V365-E368 WeakPolarHBondContact O-CB 3.24Å; V365-E368 PolarHBondContact O-N 2.94Å; V365-V371 WeakPolarHBondContact O-CB 3.4Å; V365-V371 WeakPolarHBondContact O-CG2 3.19Å
366	F	97.4	Very high	96.5	Very high	83 Å²	83	77.8 Å²	77.8	36%	0.364	41%	0.414	S	S	.	.	H	α-helix	trans	-81.2	-7.9	-177.7	-66.1	-61.5	0	0	0	114	M362 N364 V371 I377 P391	M362-F366 WeakPolarHBondContact O-CD2 3.19Å; M362-F366 PolarHBondContact O-N 2.83Å; M362-F366 VanDerWaalsContact O-N 3.14Å; N364-F366 VanDerWaalsContact C-N 3.35Å; N364-F366 PolarHBondContact O-N 3.12Å; F366-V371 HydrophobicContact CD1-CG1 4.46Å; F366-I377 HydrophobicContact CB-CD1 3.94Å; F366-I377 HydrophobicContact CD1-CD1 3.91Å; F366-I377 HydrophobicContact CD1-CG1 3.7Å; F366-I377 HydrophobicContact CE1-CG1 4.33Å; F366-I377 HydrophobicContact CG-CD1 4.32Å; F366-P391 HydrophobicContact CZ-CG 4.48Å
367	A	97.3	Very high	96.4	Very high	61 Å²	61	76.4 Å²	76.4	50%	0.504	41%	0.411	S	S	.	.	H	α-helix	trans	-94.1	-8.7	169.1	0	0	0	0	0	113.3	K363 N364 V365 P369	K363-A367 WeakPolarHBondContact O-CB 3.44Å; K363-A367 PolarHBondContact O-N 2.87Å; K363-A367 VanDerWaalsContact O-N 3.14Å; N364-A367 PolarHBondContact O-N 3.36Å; V365-A367 VanDerWaalsContact C-N 3.29Å; V365-A367 PolarHBondContact O-N 3.36Å; A367-P369 WeakPolarHBondContact O-CD 3.22Å
368	E	97.5	Very high	96.2	Very high	70 Å²	70	77 Å²	77	33%	0.327	41%	0.409	S	S	.	.			trans	-63.2	123.8	-176.1	173.4	46.5	-128.4	0	0	111.3	N364 V365 Q370 V371 L372	N364-E368 PolarHBondContact O-N 3.09Å; V365-E368 VanDerWaalsContact O-CB 3.3Å; V365-E368 WeakPolarHBondContact O-CB 3.24Å; V365-E368 PolarHBondContact O-N 2.94Å; E368-Q370 VanDerWaalsContact C-N 3.25Å; E368-Q370 HydrophobicContact CG-CB 4.41Å; E368-Q370 PolarHBondContact O-N 3.48Å; E368-Q370 VanDerWaalsContact O-N 3.15Å; E368-Q370 PolarHBondContact OE1-N 3.47Å; E368-Q370 VanDerWaalsContact OE1-N 3.16Å; E368-V371 HydrophobicContact CB-CB 4.05Å; E368-V371 HydrophobicContact CB-CG2 3.82Å; E368-V371 HydrophobicContact CG-CB 4.4Å; E368-V371 HydrophobicContact CG-CG2 3.91Å; E368-V371 WeakPolarHBondContact O-CB 3.41Å; E368-V371 PolarHBondContact O-N 2.92Å; E368-L372 PolarHBondContact O-N 3.43Å
369	P	96.1	Very high	96	Very high	93 Å²	93	79.9 Å²	79.9	60%	0.604	42%	0.419	S	S	*	.	H	α-helix	trans	-49	-41.7	179.4	-33	35.6	0	0	0	114.6	A367 L372 H373	A367-P369 WeakPolarHBondContact O-CD 3.22Å; P369-L372 PolarHBondContact O-N 3.02Å; P369-H373 VanDerWaalsContact O-CB 3.26Å; P369-H373 WeakPolarHBondContact O-CB 3.41Å; P369-H373 PolarHBondContact O-N 3.49Å
370	Q	96.1	Very high	95.9	Very high	103 Å²	103	76.1 Å²	76.1	48%	0.481	40%	0.4	S	S	.	.	H	α-helix	trans	-70.4	-33.4	179.5	-170.1	63.4	53	0	0	112.7	E368 H373 N374	E368-Q370 VanDerWaalsContact C-N 3.25Å; E368-Q370 HydrophobicContact CG-CB 4.41Å; E368-Q370 PolarHBondContact O-N 3.48Å; E368-Q370 VanDerWaalsContact O-N 3.15Å; E368-Q370 PolarHBondContact OE1-N 3.47Å; E368-Q370 VanDerWaalsContact OE1-N 3.16Å; Q370-H373 PolarHBondContact NE2-CD2 3.17Å; Q370-N374 PolarHBondContact NE2-OD1 3.29Å; Q370-N374 VanDerWaalsContact O-CB 3.22Å; Q370-N374 WeakPolarHBondContact O-CB 3.34Å; Q370-N374 PolarHBondContact O-N 2.93Å; Q370-N374 PolarHBondContact O-ND2 3.14Å
371	V	97	Very high	95.9	Very high	24 Å²	24	79.8 Å²	79.8	15%	0.145	42%	0.415	C	S	.	.	H	α-helix	trans	-67.2	-43.3	176.7	172	0	0	0	0	110.4	V365 F366 E368 N374 S375 L376	V365-V371 WeakPolarHBondContact O-CB 3.4Å; V365-V371 WeakPolarHBondContact O-CG2 3.19Å; F366-V371 HydrophobicContact CD1-CG1 4.46Å; E368-V371 HydrophobicContact CB-CB 4.05Å; E368-V371 HydrophobicContact CB-CG2 3.82Å; E368-V371 HydrophobicContact CG-CB 4.4Å; E368-V371 HydrophobicContact CG-CG2 3.91Å; E368-V371 WeakPolarHBondContact O-CB 3.41Å; E368-V371 PolarHBondContact O-N 2.92Å; V371-N374 PolarHBondContact O-N 3.18Å; V371-S375 PolarHBondContact O-N 3.33Å; V371-L376 HydrophobicContact CG1-CB 3.93Å; V371-L376 HydrophobicContact CG1-CD1 4.23Å; V371-L376 HydrophobicContact CG2-CD1 4.44Å; V371-L376 PolarHBondContact O-N 3.35Å
372	L	95.6	Very high	95.9	Very high	95 Å²	95	75.8 Å²	75.8	50%	0.497	39%	0.393	S	S	.	.	H	α-helix	trans	-64.2	-47.2	174	-65.8	173.5	0	0	0	111.5	E368 P369 N374 S375 I377	E368-L372 PolarHBondContact O-N 3.43Å; P369-L372 PolarHBondContact O-N 3.02Å; L372-N374 VanDerWaalsContact C-N 3.26Å; L372-N374 PolarHBondContact O-N 2.81Å; L372-S375 PolarHBondContact O-N 3.37Å; L372-I377 HydrophobicContact CD2-CD1 3.94Å
373	H	95.3	Very high	95.7	Very high	127 Å²	127	73.2 Å²	73.2	59%	0.588	39%	0.386	S	S	*	.	H	α-helix	trans	-58.2	-38.7	176	178.6	86.7	0	0	0	112.4	P369 Q370 S375	P369-H373 VanDerWaalsContact O-CB 3.26Å; P369-H373 WeakPolarHBondContact O-CB 3.41Å; P369-H373 PolarHBondContact O-N 3.49Å; Q370-H373 PolarHBondContact NE2-CD2 3.17Å; H373-S375 PolarHBondContact O-N 3.19Å
374	N	93.9	Very high	95.5	Very high	53 Å²	53	68.5 Å²	68.5	28%	0.283	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-5.1	177.4	-72.8	-11.7	0	0	0	113.4	Q370 V371 L372 L376	Q370-N374 PolarHBondContact NE2-OD1 3.29Å; Q370-N374 VanDerWaalsContact O-CB 3.22Å; Q370-N374 WeakPolarHBondContact O-CB 3.34Å; Q370-N374 PolarHBondContact O-N 2.93Å; Q370-N374 PolarHBondContact O-ND2 3.14Å; V371-N374 PolarHBondContact O-N 3.18Å; L372-N374 VanDerWaalsContact C-N 3.26Å; L372-N374 PolarHBondContact O-N 2.81Å; N374-L376 VanDerWaalsContact C-N 3.3Å; N374-L376 HydrophobicContact CB-CD1 4.04Å; N374-L376 HydrophobicContact CB-CD2 4.25Å; N374-L376 HydrophobicContact CB-CG 3.71Å; N374-L376 PolarHBondContact O-N 3.21Å
375	S	91.8	Very high	95.4	Very high	85 Å²	85	66.6 Å²	66.6	59%	0.594	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	42.2	-178.6	-49.7	0	0	0	0	112.6	V371 L372 H373 I377	V371-S375 PolarHBondContact O-N 3.33Å; L372-S375 PolarHBondContact O-N 3.37Å; H373-S375 PolarHBondContact O-N 3.19Å; S375-I377 PolarHBondContact O-N 3.04Å
376	L	94.4	Very high	95.2	Very high	50 Å²	50	65.9 Å²	65.9	26%	0.262	37%	0.365	S	S	.	.			trans	-82.3	1.7	-177.6	-62.8	179.1	0	0	0	113.9	V371 N374 P391 G392	V371-L376 HydrophobicContact CG1-CB 3.93Å; V371-L376 HydrophobicContact CG1-CD1 4.23Å; V371-L376 HydrophobicContact CG2-CD1 4.44Å; V371-L376 PolarHBondContact O-N 3.35Å; N374-L376 VanDerWaalsContact C-N 3.3Å; N374-L376 HydrophobicContact CB-CD1 4.04Å; N374-L376 HydrophobicContact CB-CD2 4.25Å; N374-L376 HydrophobicContact CB-CG 3.71Å; N374-L376 PolarHBondContact O-N 3.21Å; L376-P391 WeakPolarHBondContact O-CA 3.31Å; L376-G392 PolarHBondContact O-N 3.31Å
377	I	95.2	Very high	95.2	Very high	54 Å²	54	67.4 Å²	67.4	28%	0.277	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	114.5	170.4	-56.1	174.7	0	0	0	107	F366 L372 S375 E379	F366-I377 HydrophobicContact CB-CD1 3.94Å; F366-I377 HydrophobicContact CD1-CD1 3.91Å; F366-I377 HydrophobicContact CD1-CG1 3.7Å; F366-I377 HydrophobicContact CE1-CG1 4.33Å; F366-I377 HydrophobicContact CG-CD1 4.32Å; L372-I377 HydrophobicContact CD2-CD1 3.94Å; S375-I377 PolarHBondContact O-N 3.04Å; I377-E379 HydrophobicContact CG2-CG 4.44Å
378	M	93.4	Very high	95.1	Very high	29 Å²	29	65.2 Å²	65.2	14%	0.143	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	120.9	177.2	176.2	173.9	-86	0	0	109.3	R108 M380 S389 V390 P393 A405	R108-M378 VanDerWaalsContact CD-SD 3.51Å; M378-M380 HydrophobicContact CG-CE 4.27Å; M378-M380 HydrophobicContact CG-CG 4.36Å; M378-M380 HydrophobicContact SD-CE 4.44Å; M378-M380 HydrophobicContact SD-SD 4.46Å; M378-S389 WeakPolarHBondContact O-CA 3.35Å; M378-V390 HydrophobicContact CB-CG2 4.24Å; M378-V390 PolarHBondContact N-O 2.64Å; M378-V390 PolarHBondContact O-N 3.34Å; M378-P393 HydrophobicContact CE-CG 3.87Å; M378-A405 HydrophobicContact CE-CB 3.81Å; M378-A405 HydrophobicContact CG-CB 4.18Å; M378-A405 HydrophobicContact SD-CB 3.3Å; M378-A405 WeakPolarHBondContact SD-CB 3.43Å
379	E	94.9	Very high	95.1	Very high	109 Å²	109	65.3 Å²	65.3	51%	0.509	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	141.3	178.3	-56.4	-170.9	129.2	0	0	110.6	I377 K387 I388	I377-E379 HydrophobicContact CG2-CG 4.44Å; E379-K387 WeakPolarHBondContact OE1-CE 3.13Å; E379-K387 IonicContact OE1-NZ 2.7Å; E379-K387 PolarHBondContact OE1-NZ 3.28Å; E379-K387 WeakPolarHBondContact OE2-CE 3.42Å; E379-K387 IonicContact OE2-NZ 3.79Å; E379-K387 PolarHBondContact OE2-NZ 3.46Å; E379-I388 VanDerWaalsContact CA-O 3.31Å; E379-I388 WeakPolarHBondContact CA-O 3.46Å
380	M	95.6	Very high	95	Very high	11 Å²	11	61.5 Å²	61.5	5%	0.054	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	149.7	-180	-64	170.6	-79.5	0	0	109.8	R108 M378 K387 I388 V390 A405 P407	R108-M380 HydrophobicContact CB-CE 4.16Å; R108-M380 HydrophobicContact CB-SD 3.9Å; M378-M380 HydrophobicContact CG-CE 4.27Å; M378-M380 HydrophobicContact CG-CG 4.36Å; M378-M380 HydrophobicContact SD-CE 4.44Å; M378-M380 HydrophobicContact SD-SD 4.46Å; M380-K387 WeakPolarHBondContact O-CA 3.36Å; M380-I388 HydrophobicContact CB-CG1 4.19Å; M380-I388 HydrophobicContact CE-CD1 4.34Å; M380-I388 PolarHBondContact N-O 3.48Å; M380-I388 WeakPolarHBondContact O-CG1 3.22Å; M380-I388 PolarHBondContact O-N 2.93Å; M380-V390 HydrophobicContact CE-CG1 4.42Å; M380-V390 HydrophobicContact CE-CG2 3.41Å; M380-V390 VanDerWaalsContact CE-CG2 3.41Å; M380-A405 HydrophobicContact CG-CB 4.04Å; M380-A405 WeakPolarHBondContact CG-O 3.29Å; M380-A405 HydrophobicContact SD-CB 3.57Å; M380-A405 VanDerWaalsContact SD-CB 3.57Å; M380-P407 HydrophobicContact CB-CB 4.45Å
381	E	95.9	Very high	95	Very high	126 Å²	126	60.1 Å²	60.1	59%	0.589	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	112.5	169.8	-66.9	-58.3	148.4	0	0	109.8	K387 P407	E381-K387 WeakPolarHBondContact OE1-CB 3.45Å; E381-K387 PolarHBondContact OE2-N 3.44Å; E381-K387 VanDerWaalsContact OE2-N 3.17Å; E381-P407 VanDerWaalsContact O-CG 3.26Å; E381-P407 WeakPolarHBondContact O-CG 3.3Å
382	H	96.3	Very high	94.8	Very high	6 Å²	6	59.6 Å²	59.6	3%	0.028	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	137.6	176.6	-169.9	-89.1	0	0	0	111	T384 V385 G386 I388 P407 P408	H382-T384 VanDerWaalsContact C-N 3.28Å; H382-T384 PolarHBondContact CE1-OG1 2.8Å; H382-T384 PolarHBondContact ND1-N 2.99Å; H382-T384 PolarHBondContact ND1-OG1 3.45Å; H382-T384 VanDerWaalsContact ND1-OG1 3.1Å; H382-T384 PolarHBondContact O-N 2.85Å; H382-T384 VanDerWaalsContact O-N 3.11Å; H382-V385 HydrophobicContact CB-CG2 3.63Å; H382-G386 WeakPolarHBondContact CB-O 3.35Å; H382-G386 PolarHBondContact N-O 2.9Å; H382-G386 WeakPolarHBondContact O-CA 3.32Å; H382-G386 PolarHBondContact O-N 3.22Å; H382-I388 HydrophobicContact CB-CD1 4.14Å; H382-I388 HydrophobicContact CB-CG1 4.29Å; H382-I388 HydrophobicContact CB-CG2 4.14Å; H382-P407 HydrophobicContact CB-CB 4.32Å; H382-P408 PolarHBondContact CD2-O 3.41Å; H382-P408 PolarHBondContact NE2-O 3.38Å
383	P	92.8	Very high	94.6	Very high	70 Å²	70	56.3 Å²	56.3	46%	0.455	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-33.8	-172.6	-27.7	34.9	0	0	0	115.8	L410	P383-L410 HydrophobicContact CB-CD1 4.22Å
384	T	93.6	Very high	94.4	Very high	73 Å²	73	54.7 Å²	54.7	45%	0.448	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-18.2	-173.4	52.6	0	0	0	0	114.9	H382 L410	H382-T384 VanDerWaalsContact C-N 3.28Å; H382-T384 PolarHBondContact CE1-OG1 2.8Å; H382-T384 PolarHBondContact ND1-N 2.99Å; H382-T384 PolarHBondContact ND1-OG1 3.45Å; H382-T384 VanDerWaalsContact ND1-OG1 3.1Å; H382-T384 PolarHBondContact O-N 2.85Å; H382-T384 VanDerWaalsContact O-N 3.11Å; T384-L410 HydrophobicContact CG2-CD1 3.85Å; T384-L410 HydrophobicContact CG2-CD2 3.77Å; T384-L410 HydrophobicContact CG2-CG 4.47Å
385	V	94.8	Very high	94.3	Very high	32 Å²	32	56 Å²	56	19%	0.194	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.6	4.1	-173.6	-53.8	0	0	0	0	113.1	V96 E99 H382 I388	V96-V385 HydrophobicContact CG1-CB 4.31Å; V96-V385 HydrophobicContact CG1-CG1 4.35Å; V96-V385 HydrophobicContact CG1-CG2 4Å; V96-V385 HydrophobicContact CG2-CB 4.02Å; V96-V385 HydrophobicContact CG2-CG1 4.45Å; V96-V385 HydrophobicContact CG2-CG2 4.38Å; V96-V385 VanDerWaalsContact O-CG1 3.3Å; V96-V385 WeakPolarHBondContact O-CG1 3.42Å; E99-V385 HydrophobicContact CB-CG1 4.33Å; E99-V385 HydrophobicContact CG-CG1 3.97Å; H382-V385 HydrophobicContact CB-CG2 3.63Å; V385-I388 HydrophobicContact CG2-CG2 3.54Å
386	G	95.2	Very high	94.2	Very high	30 Å²	30	60.3 Å²	60.3	31%	0.309	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	69.1	-147.3	-179.5	0	0	0	0	0	112.5	H382 I388	H382-G386 WeakPolarHBondContact CB-O 3.35Å; H382-G386 PolarHBondContact N-O 2.9Å; H382-G386 WeakPolarHBondContact O-CA 3.32Å; H382-G386 PolarHBondContact O-N 3.22Å; G386-I388 PolarHBondContact O-N 2.97Å
387	K	96.3	Very high	94	Very high	115 Å²	115	62.2 Å²	62.2	50%	0.5	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	123.7	-177.2	-167.3	177.9	-176.4	-172.4	0	112.1	E379 M380 E381	E379-K387 WeakPolarHBondContact OE1-CE 3.13Å; E379-K387 IonicContact OE1-NZ 2.7Å; E379-K387 PolarHBondContact OE1-NZ 3.28Å; E379-K387 WeakPolarHBondContact OE2-CE 3.42Å; E379-K387 IonicContact OE2-NZ 3.79Å; E379-K387 PolarHBondContact OE2-NZ 3.46Å; M380-K387 WeakPolarHBondContact O-CA 3.36Å; E381-K387 WeakPolarHBondContact OE1-CB 3.45Å; E381-K387 PolarHBondContact OE2-N 3.44Å; E381-K387 VanDerWaalsContact OE2-N 3.17Å
388	I	96.4	Very high	93.7	Very high	15 Å²	15	65.3 Å²	65.3	8%	0.077	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	155.5	173.5	61.7	169.1	0	0	0	111	L104 E379 M380 H382 V385 G386	L104-I388 HydrophobicContact CD1-CD1 4.42Å; L104-I388 HydrophobicContact CD1-CG2 4.37Å; L104-I388 HydrophobicContact CD2-CD1 4.19Å; E379-I388 VanDerWaalsContact CA-O 3.31Å; E379-I388 WeakPolarHBondContact CA-O 3.46Å; M380-I388 HydrophobicContact CB-CG1 4.19Å; M380-I388 HydrophobicContact CE-CD1 4.34Å; M380-I388 PolarHBondContact N-O 3.48Å; M380-I388 WeakPolarHBondContact O-CG1 3.22Å; M380-I388 PolarHBondContact O-N 2.93Å; H382-I388 HydrophobicContact CB-CD1 4.14Å; H382-I388 HydrophobicContact CB-CG1 4.29Å; H382-I388 HydrophobicContact CB-CG2 4.14Å; V385-I388 HydrophobicContact CG2-CG2 3.54Å; G386-I388 PolarHBondContact O-N 2.97Å
389	S	95.8	Very high	93.4	Very high	72 Å²	72	72.3 Å²	72.3	50%	0.503	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	132.3	175.6	-52.9	0	0	0	0	110.4	M378	M378-S389 WeakPolarHBondContact O-CA 3.35Å
390	V	95.7	Very high	92.9	Very high	12 Å²	12	68.7 Å²	68.7	7%	0.073	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	163.5	178.1	-58.9	0	0	0	0	110.5	M378 M380 G392	M378-V390 HydrophobicContact CB-CG2 4.24Å; M378-V390 PolarHBondContact N-O 2.64Å; M378-V390 PolarHBondContact O-N 3.34Å; M380-V390 HydrophobicContact CE-CG1 4.42Å; M380-V390 HydrophobicContact CE-CG2 3.41Å; M380-V390 VanDerWaalsContact CE-CG2 3.41Å; V390-G392 PolarHBondContact O-N 2.8Å
391	P	95.3	Very high	92.1	Very high	74 Å²	74	76.1 Å²	76.1	48%	0.481	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	124.7	169.2	-25.1	35.5	0	0	0	111.6	R108 F366 L376	R108-P391 PolarHBondContact NH1-O 2.91Å; F366-P391 HydrophobicContact CZ-CG 4.48Å; L376-P391 WeakPolarHBondContact O-CA 3.31Å
392	G	92.2	Very high	91.2	Very high	13 Å²	13	72.3 Å²	72.3	13%	0.134	40%	0.397	C	S	.	.			trans	-76.8	176.9	176.9	0	0	0	0	0	113.3	L376 V390	L376-G392 PolarHBondContact O-N 3.31Å; V390-G392 PolarHBondContact O-N 2.8Å
393	P	91.1	Very high	89.8	Confident	26 Å²	26	73.8 Å²	73.8	17%	0.169	41%	0.408	C	S	.	.			trans	-58.8	136	177.3	-24.7	34	0	0	0	112.4	M378 V395 M402	M378-P393 HydrophobicContact CE-CG 3.87Å; P393-V395 VanDerWaalsContact C-N 3.33Å; P393-V395 PolarHBondContact O-N 3.29Å; P393-M402 HydrophobicContact CB-CE 4.3Å; P393-M402 HydrophobicContact CB-CG 4.48Å; P393-M402 HydrophobicContact CG-CE 4.17Å; P393-M402 HydrophobicContact CG-CG 4.24Å
394	A	92.3	Very high	89.1	Confident	93 Å²	93	79.4 Å²	79.4	77%	0.769	43%	0.428	S	S	*	.	S	Bend	trans	-79	-13.3	-177.6	0	0	0	0	0	114.1
395	V	92.3	Very high	88.7	Confident	80 Å²	80	76.8 Å²	76.8	49%	0.485	41%	0.414	S	S	.	.			trans	-119.1	134.8	-173.4	-176.2	0	0	0	0	110.5	P393 Y397	P393-V395 VanDerWaalsContact C-N 3.33Å; P393-V395 PolarHBondContact O-N 3.29Å; V395-Y397 HydrophobicContact CB-CE2 4.16Å; V395-Y397 HydrophobicContact CG1-CD2 4.47Å; V395-Y397 HydrophobicContact CG1-CE1 4.06Å; V395-Y397 HydrophobicContact CG1-CE2 3.85Å
396	R	89.2	Confident	88.6	Confident	177 Å²	177	80.8 Å²	80.8	67%	0.668	43%	0.425	S	S	*	.			trans	-108.7	139.7	175.9	-65	175.8	67.9	173.7	4.2	110.3
397	Y	89.7	Confident	88.7	Confident	90 Å²	90	80.9 Å²	80.9	35%	0.353	42%	0.42	S	S	.	.			trans	-115.9	142.1	-179.7	-59.8	-88	0	0	0	110.1	L72 V395 F400 M402	L72-Y397 HydrophobicContact CD2-CE2 3.86Å; V395-Y397 HydrophobicContact CB-CE2 4.16Å; V395-Y397 HydrophobicContact CG1-CD2 4.47Å; V395-Y397 HydrophobicContact CG1-CE1 4.06Å; V395-Y397 HydrophobicContact CG1-CE2 3.85Å; Y397-F400 VanDerWaalsContact CB-CE1 3.49Å; Y397-F400 AromaticContact CD1-CE1 3.57Å; Y397-F400 HydrophobicContact CD1-CE1 3.57Å; Y397-F400 AromaticContact CD1-CZ 3.54Å; Y397-F400 HydrophobicContact CD1-CZ 3.54Å; Y397-F400 HydrophobicContact CD2-CD2 4.48Å; Y397-F400 AromaticContact CD2-CE1 3.98Å; Y397-F400 HydrophobicContact CD2-CE1 3.98Å; Y397-F400 AromaticContact CD2-CE2 3.53Å; Y397-F400 HydrophobicContact CD2-CE2 3.53Å; Y397-F400 AromaticContact CD2-CZ 3.22Å; Y397-F400 HydrophobicContact CD2-CZ 3.22Å; Y397-F400 HydrophobicContact CE1-CE1 4.27Å; Y397-F400 AromaticContact CE1-CZ 3.93Å; Y397-F400 HydrophobicContact CE1-CZ 3.93Å; Y397-F400 HydrophobicContact CE2-CE2 4.06Å; Y397-F400 AromaticContact CE2-CZ 3.65Å; Y397-F400 HydrophobicContact CE2-CZ 3.65Å; Y397-F400 HydrophobicContact CG-CD1 4.23Å; Y397-F400 AromaticContact CG-CE1 3.4Å; Y397-F400 HydrophobicContact CG-CE1 3.4Å; Y397-F400 AromaticContact CG-CE2 3.83Å; Y397-F400 HydrophobicContact CG-CE2 3.83Å; Y397-F400 AromaticContact CG-CZ 3.15Å; Y397-F400 HydrophobicContact CG-CZ 3.15Å; Y397-F400 AromaticContact CZ-CZ 3.98Å; Y397-M402 HydrophobicContact CD2-SD 4.19Å; Y397-M402 HydrophobicContact CE2-SD 4.24Å
398	S	89.8	Confident	88.7	Confident	118 Å²	118	75.4 Å²	75.4	83%	0.825	40%	0.397	S	S	*	.	S	Bend	trans	-81.8	-16.7	-176.2	57.9	0	0	0	0	113.9
399	K	85.9	Confident	88.8	Confident	176 Å²	176	74.7 Å²	74.7	77%	0.765	39%	0.393	S	S	*	.	S	Bend	trans	-118.1	-7.8	-170.3	-65.4	-60.9	-173.4	180	0	115.1
400	F	84.9	Confident	88.8	Confident	34 Å²	34	71.4 Å²	71.4	15%	0.149	37%	0.37	C	S	.	.			trans	-147.6	154.3	171.6	65.4	-88.9	0	0	0	109.3	P47 L72 Y397 M402	P47-F400 HydrophobicContact CG-CE1 4Å; P47-F400 HydrophobicContact CG-CE2 4.08Å; P47-F400 HydrophobicContact CG-CZ 3.63Å; L72-F400 HydrophobicContact CD2-CE2 3.99Å; L72-F400 HydrophobicContact CD2-CZ 3.94Å; Y397-F400 VanDerWaalsContact CB-CE1 3.49Å; Y397-F400 AromaticContact CD1-CE1 3.57Å; Y397-F400 HydrophobicContact CD1-CE1 3.57Å; Y397-F400 AromaticContact CD1-CZ 3.54Å; Y397-F400 HydrophobicContact CD1-CZ 3.54Å; Y397-F400 HydrophobicContact CD2-CD2 4.48Å; Y397-F400 AromaticContact CD2-CE1 3.98Å; Y397-F400 HydrophobicContact CD2-CE1 3.98Å; Y397-F400 AromaticContact CD2-CE2 3.53Å; Y397-F400 HydrophobicContact CD2-CE2 3.53Å; Y397-F400 AromaticContact CD2-CZ 3.22Å; Y397-F400 HydrophobicContact CD2-CZ 3.22Å; Y397-F400 HydrophobicContact CE1-CE1 4.27Å; Y397-F400 AromaticContact CE1-CZ 3.93Å; Y397-F400 HydrophobicContact CE1-CZ 3.93Å; Y397-F400 HydrophobicContact CE2-CE2 4.06Å; Y397-F400 AromaticContact CE2-CZ 3.65Å; Y397-F400 HydrophobicContact CE2-CZ 3.65Å; Y397-F400 HydrophobicContact CG-CD1 4.23Å; Y397-F400 AromaticContact CG-CE1 3.4Å; Y397-F400 HydrophobicContact CG-CE1 3.4Å; Y397-F400 AromaticContact CG-CE2 3.83Å; Y397-F400 HydrophobicContact CG-CE2 3.83Å; Y397-F400 AromaticContact CG-CZ 3.15Å; Y397-F400 HydrophobicContact CG-CZ 3.15Å; Y397-F400 AromaticContact CZ-CZ 3.98Å; F400-M402 HydrophobicContact CD2-SD 4.38Å; F400-M402 HydrophobicContact CE2-SD 3.72Å
401	K	78.4	Confident	88.9	Confident	166 Å²	166	72.2 Å²	72.2	72%	0.722	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-100.5	145.1	169.7	-66.5	-176.4	179.8	-179.1	0	108.8	N44 S403	N44-K401 PolarHBondContact OD1-N 3.01Å; K401-S403 PolarHBondContact O-N 3.08Å
402	M	77.8	Confident	89	Confident	47 Å²	47	68.7 Å²	68.7	23%	0.232	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-60.1	136.7	164.5	-51.2	-56.5	-80	0	0	107.2	D71 L72 P393 Y397 F400	D71-M402 HydrophobicContact CB-CE 3.37Å; D71-M402 WeakPolarHBondContact O-CE 3.42Å; L72-M402 HydrophobicContact CD2-CE 3.99Å; L72-M402 HydrophobicContact CD2-SD 4.12Å; P393-M402 HydrophobicContact CB-CE 4.3Å; P393-M402 HydrophobicContact CB-CG 4.48Å; P393-M402 HydrophobicContact CG-CE 4.17Å; P393-M402 HydrophobicContact CG-CG 4.24Å; Y397-M402 HydrophobicContact CD2-SD 4.19Å; Y397-M402 HydrophobicContact CE2-SD 4.24Å; F400-M402 HydrophobicContact CD2-SD 4.38Å; F400-M402 HydrophobicContact CE2-SD 3.72Å
403	S	65.6	Low	89.3	Confident	36 Å²	36	70.2 Å²	70.2	25%	0.252	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-62.2	162.2	176.3	41.5	0	0	0	0	111.4	K46 K401 A405	K46-S403 VanDerWaalsContact CE-CB 3.42Å; K46-S403 WeakPolarHBondContact CE-OG 3.21Å; K46-S403 PolarHBondContact NZ-OG 3.19Å; K401-S403 PolarHBondContact O-N 3.08Å; S403-A405 PolarHBondContact O-N 3.44Å
404	E	79.8	Confident	89.6	Confident	189 Å²	189	71 Å²	71	88%	0.883	36%	0.356	S	S	*	.			trans	-45.5	117.5	154.3	-68.2	-176.9	176.8	0	0	108.6
405	A	84.1	Confident	89.9	Confident	18 Å²	18	66.6 Å²	66.6	15%	0.149	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-72.4	135.7	-177.2	0	0	0	0	0	108.8	N109 M378 M380 S403	N109-A405 WeakPolarHBondContact OD1-CA 3.22Å; M378-A405 HydrophobicContact CE-CB 3.81Å; M378-A405 HydrophobicContact CG-CB 4.18Å; M378-A405 HydrophobicContact SD-CB 3.3Å; M378-A405 WeakPolarHBondContact SD-CB 3.43Å; M380-A405 HydrophobicContact CG-CB 4.04Å; M380-A405 WeakPolarHBondContact CG-O 3.29Å; M380-A405 HydrophobicContact SD-CB 3.57Å; M380-A405 VanDerWaalsContact SD-CB 3.57Å; S403-A405 PolarHBondContact O-N 3.44Å
406	R	93.8	Very high	90.2	Very high	115 Å²	115	66.9 Å²	66.9	43%	0.434	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-80.3	140	169.9	-65.8	177.4	-66.7	-173	1.3	108.7	R108 N109	R108-R406 WeakPolarHBondContact CA-O 3.19Å; R108-R406 WeakPolarHBondContact CB-O 3.23Å; N109-R406 PolarHBondContact N-O 2.87Å; N109-R406 PolarHBondContact O-NH2 2.76Å; N109-R406 PolarHBondContact OD1-N 2.98Å
407	P	96.6	Very high	90.6	Very high	32 Å²	32	62.4 Å²	62.4	21%	0.208	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-58	154.3	176.7	30.1	-39.8	0	0	0	110.5	M380 E381 H382	M380-P407 HydrophobicContact CB-CB 4.45Å; E381-P407 VanDerWaalsContact O-CG 3.26Å; E381-P407 WeakPolarHBondContact O-CG 3.3Å; H382-P407 HydrophobicContact CB-CB 4.32Å
408	P	97.1	Very high	91	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-48.3	136.5	165.5	-25	32.9	0	0	0	111.3	Y103 L104 N107 R108 H382	Y103-P408 HydrophobicContact CD1-CB 4.23Å; Y103-P408 HydrophobicContact CE1-CB 3.75Å; L104-P408 HydrophobicContact CB-CG 4.35Å; L104-P408 HydrophobicContact CD2-CB 3.99Å; L104-P408 HydrophobicContact CD2-CG 3.92Å; L104-P408 WeakPolarHBondContact O-CG 3.48Å; N107-P408 HydrophobicContact CB-CB 4.12Å; N107-P408 WeakPolarHBondContact O-CA 3.42Å; R108-P408 HydrophobicContact CB-CG 4.38Å; H382-P408 PolarHBondContact CD2-O 3.41Å; H382-P408 PolarHBondContact NE2-O 3.38Å
409	P	97.1	Very high	91.4	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.006	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-78	149.8	-174.1	31.7	-37	0	0	0	112.6	R89 Y103 N107 K110 Q413	R89-P409 PolarHBondContact NH1-O 2.94Å; R89-P409 PolarHBondContact NH2-O 3.16Å; Y103-P409 PolarHBondContact OH-O 3.23Å; N107-P409 WeakPolarHBondContact O-CD 3.49Å; K110-P409 HydrophobicContact CB-CG 4.29Å; K110-P409 WeakPolarHBondContact O-CG 3.48Å; P409-Q413 VanDerWaalsContact CA-OE1 3.26Å
410	L	97.1	Very high	92	Very high	3 Å²	3	48 Å²	48	2%	0.016	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-63.8	155	163.9	-50.9	172.5	0	0	0	109.6	S112 P383 T384 G412 Q413 H442 T444	S112-L410 WeakPolarHBondContact CB-O 3.4Å; P383-L410 HydrophobicContact CB-CD1 4.22Å; T384-L410 HydrophobicContact CG2-CD1 3.85Å; T384-L410 HydrophobicContact CG2-CD2 3.77Å; T384-L410 HydrophobicContact CG2-CG 4.47Å; L410-G412 PolarHBondContact O-N 3.28Å; L410-G412 VanDerWaalsContact O-N 3.07Å; L410-Q413 HydrophobicContact CB-CB 4.03Å; L410-Q413 VanDerWaalsContact O-CB 3.27Å; L410-Q413 WeakPolarHBondContact O-CB 3.46Å; L410-Q413 PolarHBondContact O-N 3.26Å; L410-H442 VanDerWaalsContact CD1-CD2 3.42Å; L410-H442 WeakPolarHBondContact CD1-CD2 3.28Å; L410-T444 HydrophobicContact CD1-CG2 4.18Å
411	L	97.3	Very high	92.6	Very high	29 Å²	29	50.4 Å²	50.4	15%	0.152	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	110.6	-176.3	171.6	57.6	0	0	0	111.7	E80 A114 Q413 H442	E80-L411 HydrophobicContact CB-CD1 3.48Å; E80-L411 VanDerWaalsContact CB-CD1 3.48Å; E80-L411 HydrophobicContact CG-CD1 4.26Å; A114-L411 HydrophobicContact CB-CD1 4.26Å; L411-Q413 VanDerWaalsContact C-N 3.26Å; L411-Q413 PolarHBondContact O-N 2.89Å; L411-H442 VanDerWaalsContact O-CB 3.22Å; L411-H442 WeakPolarHBondContact O-CB 3.39Å
412	G	97.7	Very high	93.5	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	72	19.4	-178.8	0	0	0	0	0	113.6	S112 L410 H414 T415 Q441 H442	S112-G412 CarbonylContact O-C 3.47Å; S112-G412 PolarHBondContact OG-N 3.23Å; L410-G412 PolarHBondContact O-N 3.28Å; L410-G412 VanDerWaalsContact O-N 3.07Å; G412-H414 PolarHBondContact O-N 2.81Å; G412-H414 VanDerWaalsContact O-N 3.11Å; G412-T415 WeakPolarHBondContact CA-OG1 3.43Å; G412-T415 PolarHBondContact O-N 3.41Å; G412-T415 PolarHBondContact O-OG1 3.29Å; G412-Q441 PolarHBondContact O-NE2 3.13Å; G412-Q441 PolarHBondContact O-OE1 3.45Å; G412-H442 PolarHBondContact O-N 3.31Å
413	Q	97.7	Very high	94.5	Very high	45 Å²	45	42.5 Å²	42.5	21%	0.21	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-30.5	177.7	-177.4	-179.8	1.2	0	0	113.1	P409 L410 L411 Q441	P409-Q413 VanDerWaalsContact CA-OE1 3.26Å; L410-Q413 HydrophobicContact CB-CB 4.03Å; L410-Q413 VanDerWaalsContact O-CB 3.27Å; L410-Q413 WeakPolarHBondContact O-CB 3.46Å; L410-Q413 PolarHBondContact O-N 3.26Å; L411-Q413 VanDerWaalsContact C-N 3.26Å; L411-Q413 PolarHBondContact O-N 2.89Å; Q413-Q441 PolarHBondContact O-NE2 2.95Å
414	H	98.2	Very high	96	Very high	42 Å²	42	48.5 Å²	48.5	19%	0.194	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.6	12.9	-172.6	-53.2	86.7	0	0	0	112.4	K111 S112 G412 M416 H417 I418	K111-H414 HydrophobicContact CB-CB 3.98Å; K111-H414 HydrophobicContact CG-CB 4.43Å; S112-H414 PolarHBondContact N-ND1 2.86Å; S112-H414 VanDerWaalsContact N-ND1 3.19Å; S112-H414 CarbonylContact O-C 3.58Å; S112-H414 WeakPolarHBondContact O-CA 3.43Å; S112-H414 VanDerWaalsContact O-CB 3.31Å; S112-H414 WeakPolarHBondContact O-CB 3.27Å; S112-H414 PolarHBondContact O-N 2.84Å; G412-H414 PolarHBondContact O-N 2.81Å; G412-H414 VanDerWaalsContact O-N 3.11Å; H414-M416 PolarHBondContact O-N 3.37Å; H414-H417 PolarHBondContact O-N 2.85Å; H414-I418 HydrophobicContact CB-CD1 3.8Å; H414-I418 HydrophobicContact CB-CG1 4.25Å; H414-I418 WeakPolarHBondContact O-CB 3.29Å; H414-I418 WeakPolarHBondContact O-CD1 3.23Å; H414-I418 VanDerWaalsContact O-CG1 3.28Å; H414-I418 WeakPolarHBondContact O-CG1 3.21Å; H414-I418 PolarHBondContact O-N 3.26Å
415	T	98.6	Very high	96.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-57	-53.8	-174.7	-66.4	0	0	0	0	111.9	S112 I113 A114 G412 H417 I418 L419 V439 A440	S112-T415 PolarHBondContact O-N 3.13Å; I113-T415 WeakPolarHBondContact CA-OG1 3.49Å; I113-T415 HydrophobicContact CG1-CG2 4.05Å; A114-T415 PolarHBondContact N-OG1 2.96Å; G412-T415 WeakPolarHBondContact CA-OG1 3.43Å; G412-T415 PolarHBondContact O-N 3.41Å; G412-T415 PolarHBondContact O-OG1 3.29Å; T415-H417 PolarHBondContact O-N 3.27Å; T415-I418 PolarHBondContact O-N 3.46Å; T415-L419 HydrophobicContact CG2-CD1 3.99Å; T415-L419 WeakPolarHBondContact O-CG 3.41Å; T415-L419 PolarHBondContact O-N 3.24Å; T415-V439 HydrophobicContact CG2-CB 3.81Å; T415-V439 HydrophobicContact CG2-CG2 3.98Å; T415-A440 WeakPolarHBondContact CB-O 3.08Å; T415-A440 WeakPolarHBondContact CG2-O 3.4Å; T415-A440 PolarHBondContact OG1-O 2.99Å
416	M	97.6	Very high	97.5	Very high	86 Å²	86	45.6 Å²	45.6	42%	0.424	21%	0.209	S	C	.	.	H	α-helix	trans	-62.4	-44.6	179.6	-69.7	-176	71	0	0	112.1	H414 I418 L419 K420 I430 Q441	H414-M416 PolarHBondContact O-N 3.37Å; M416-I418 VanDerWaalsContact C-N 3.34Å; M416-I418 PolarHBondContact O-N 3.47Å; M416-L419 PolarHBondContact O-N 3.34Å; M416-K420 VanDerWaalsContact O-CB 3.27Å; M416-K420 WeakPolarHBondContact O-CB 3.19Å; M416-K420 PolarHBondContact O-N 3.36Å; M416-I430 HydrophobicContact CG-CG2 4.37Å; M416-Q441 HydrophobicContact CG-CB 4.18Å; M416-Q441 HydrophobicContact CG-CG 4.01Å; M416-Q441 HydrophobicContact SD-CB 4.48Å; M416-Q441 HydrophobicContact SD-CG 4Å
417	H	97.6	Very high	97.7	Very high	83 Å²	83	44.7 Å²	44.7	38%	0.384	21%	0.212	S	C	.	.	H	α-helix	trans	-59.8	-43.3	178.7	173.5	77.1	0	0	0	111.8	K111 H414 T415 E421	K111-H417 PolarHBondContact NZ-NE2 3.36Å; H414-H417 PolarHBondContact O-N 2.85Å; T415-H417 PolarHBondContact O-N 3.27Å; H417-E421 VanDerWaalsContact O-CB 3.25Å; H417-E421 WeakPolarHBondContact O-CB 3.4Å; H417-E421 PolarHBondContact O-N 3.21Å
418	I	98.5	Very high	97.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.225	C	C	.	.	I	π-helix	trans	-67.5	-46.4	179.7	-70.4	161.6	0	0	0	110.6	I77 K111 I113 L129 H414 T415 M416 K420 V422 L423	I77-I418 HydrophobicContact CD1-CG2 4.45Å; I77-I418 HydrophobicContact CG1-CD1 4.36Å; I77-I418 HydrophobicContact CG2-CD1 3.73Å; I77-I418 HydrophobicContact CG2-CG2 4.49Å; K111-I418 HydrophobicContact CB-CD1 4.08Å; I113-I418 HydrophobicContact CB-CD1 3.78Å; I113-I418 HydrophobicContact CD1-CB 4.26Å; I113-I418 HydrophobicContact CD1-CG2 3.88Å; I113-I418 HydrophobicContact CG2-CD1 4.24Å; L129-I418 HydrophobicContact CD2-CG2 3.72Å; H414-I418 HydrophobicContact CB-CD1 3.8Å; H414-I418 HydrophobicContact CB-CG1 4.25Å; H414-I418 WeakPolarHBondContact O-CB 3.29Å; H414-I418 WeakPolarHBondContact O-CD1 3.23Å; H414-I418 VanDerWaalsContact O-CG1 3.28Å; H414-I418 WeakPolarHBondContact O-CG1 3.21Å; H414-I418 PolarHBondContact O-N 3.26Å; T415-I418 PolarHBondContact O-N 3.46Å; M416-I418 VanDerWaalsContact C-N 3.34Å; M416-I418 PolarHBondContact O-N 3.47Å; I418-K420 VanDerWaalsContact C-N 3.32Å; I418-K420 PolarHBondContact O-N 3.42Å; I418-V422 HydrophobicContact CG2-CB 4.28Å; I418-V422 HydrophobicContact CG2-CG2 4.34Å; I418-V422 WeakPolarHBondContact O-CA 3.45Å; I418-V422 WeakPolarHBondContact O-CB 3.31Å; I418-V422 PolarHBondContact O-N 3.42Å; I418-L423 PolarHBondContact O-N 2.86Å; I418-L423 VanDerWaalsContact O-N 3.16Å
419	L	98.6	Very high	97.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.237	C	C	.	.	I	π-helix	trans	-61.5	-41	178.5	-65.9	174	0	0	0	111.9	I113 I125 T415 M416 L423 R424 Y425 I430 V439	I113-L419 HydrophobicContact CD1-CD2 4.15Å; I113-L419 HydrophobicContact CD1-CG 4.3Å; I125-L419 HydrophobicContact CD1-CD2 4.27Å; I125-L419 HydrophobicContact CG1-CD2 4.4Å; I125-L419 HydrophobicContact CG2-CD2 4.03Å; T415-L419 HydrophobicContact CG2-CD1 3.99Å; T415-L419 WeakPolarHBondContact O-CG 3.41Å; T415-L419 PolarHBondContact O-N 3.24Å; M416-L419 PolarHBondContact O-N 3.34Å; L419-L423 HydrophobicContact CD2-CD1 4.08Å; L419-L423 CarbonylContact O-C 3.58Å; L419-L423 WeakPolarHBondContact O-CB 3.5Å; L419-R424 PolarHBondContact O-N 3.46Å; L419-R424 VanDerWaalsContact O-N 3.11Å; L419-Y425 HydrophobicContact CD2-CD2 4.24Å; L419-Y425 HydrophobicContact CD2-CE2 4.39Å; L419-Y425 PolarHBondContact O-N 3.4Å; L419-I430 HydrophobicContact CB-CD1 3.92Å; L419-I430 HydrophobicContact CB-CG1 3.93Å; L419-I430 HydrophobicContact CD1-CG1 4.27Å; L419-I430 HydrophobicContact CD1-CG2 4.28Å; L419-V439 HydrophobicContact CD1-CG1 4.3Å; L419-V439 HydrophobicContact CD1-CG2 4.02Å
420	K	97.8	Very high	97.8	Very high	83 Å²	83	46.9 Å²	46.9	36%	0.361	24%	0.237	S	C	.	.	I	π-helix	trans	-79.3	-48.9	-177.8	-169	167.2	-173	154.1	0	113.5	M416 I418 R424 D427 I430	M416-K420 VanDerWaalsContact O-CB 3.27Å; M416-K420 WeakPolarHBondContact O-CB 3.19Å; M416-K420 PolarHBondContact O-N 3.36Å; I418-K420 VanDerWaalsContact C-N 3.32Å; I418-K420 PolarHBondContact O-N 3.42Å; K420-R424 WeakPolarHBondContact O-CA 2.92Å; K420-R424 WeakPolarHBondContact O-CD 3.48Å; K420-R424 PolarHBondContact O-N 3.21Å; K420-D427 IonicContact NZ-OD1 2.76Å; K420-D427 PolarHBondContact NZ-OD1 3.43Å; K420-D427 IonicContact NZ-OD2 3.11Å; K420-D427 PolarHBondContact NZ-OD2 3.21Å; K420-D427 VanDerWaalsContact NZ-OD2 3.11Å; K420-I430 HydrophobicContact CB-CD1 3.99Å
421	E	97.4	Very high	97.8	Very high	84 Å²	84	48.1 Å²	48.1	39%	0.393	25%	0.25	S	S	.	.	I	π-helix	trans	-89.7	-32.1	-172.2	-62.9	-55.4	147.6	0	0	113.7	H417 R424	H417-E421 VanDerWaalsContact O-CB 3.25Å; H417-E421 WeakPolarHBondContact O-CB 3.4Å; H417-E421 PolarHBondContact O-N 3.21Å; E421-R424 PolarHBondContact O-NE 3.17Å; E421-R424 PolarHBondContact O-NH1 2.9Å; E421-R424 PolarHBondContact O-NH2 2.62Å; E421-R424 IonicContact OE2-CZ 2.66Å; E421-R424 IonicContact OE2-NH1 2.8Å; E421-R424 PolarHBondContact OE2-NH1 3.26Å
422	V	97.4	Very high	97.8	Very high	23 Å²	23	52.8 Å²	52.8	14%	0.139	27%	0.272	C	S	.	.	I	π-helix	trans	-91.6	-48.5	-179.3	-174.7	0	0	0	0	110.6	L129 V132 I418	L129-V422 HydrophobicContact CD2-CG1 4.13Å; V132-V422 HydrophobicContact CG2-CG1 3.82Å; I418-V422 HydrophobicContact CG2-CB 4.28Å; I418-V422 HydrophobicContact CG2-CG2 4.34Å; I418-V422 WeakPolarHBondContact O-CA 3.45Å; I418-V422 WeakPolarHBondContact O-CB 3.31Å; I418-V422 PolarHBondContact O-N 3.42Å
423	L	98	Very high	97.8	Very high	24 Å²	24	53.5 Å²	53.5	13%	0.126	28%	0.275	C	S	.	.	S	Bend	trans	-94.9	-9.3	-177.6	-60.7	-171.9	0	0	0	114.8	I125 E128 L129 V132 I418 L419 Y425	I125-L423 HydrophobicContact CG2-CD1 4.01Å; E128-L423 HydrophobicContact CB-CD1 4.23Å; E128-L423 HydrophobicContact CB-CD2 3.9Å; L129-L423 HydrophobicContact CD2-CD1 4.18Å; L129-L423 HydrophobicContact CD2-CD2 3.77Å; L129-L423 HydrophobicContact CD2-CG 3.92Å; L129-L423 HydrophobicContact CG-CD1 4.08Å; L129-L423 HydrophobicContact CG-CD2 4.09Å; L129-L423 HydrophobicContact CG-CG 4.31Å; V132-L423 HydrophobicContact CG2-CD2 4.4Å; I418-L423 PolarHBondContact O-N 2.86Å; I418-L423 VanDerWaalsContact O-N 3.16Å; L419-L423 HydrophobicContact CD2-CD1 4.08Å; L419-L423 CarbonylContact O-C 3.58Å; L419-L423 WeakPolarHBondContact O-CB 3.5Å; L423-Y425 VanDerWaalsContact C-N 3.26Å; L423-Y425 HydrophobicContact CB-CD1 4.01Å; L423-Y425 HydrophobicContact CB-CE1 4.23Å; L423-Y425 PolarHBondContact O-N 3.35Å
424	R	98.1	Very high	97.8	Very high	161 Å²	161	54.1 Å²	54.1	61%	0.608	28%	0.28	S	S	*	.			trans	59.6	34.2	178.9	-52.9	-60.2	-177.1	-170.3	-5.5	113.6	L419 K420 E421	L419-R424 PolarHBondContact O-N 3.46Å; L419-R424 VanDerWaalsContact O-N 3.11Å; K420-R424 WeakPolarHBondContact O-CA 2.92Å; K420-R424 WeakPolarHBondContact O-CD 3.48Å; K420-R424 PolarHBondContact O-N 3.21Å; E421-R424 PolarHBondContact O-NE 3.17Å; E421-R424 PolarHBondContact O-NH1 2.9Å; E421-R424 PolarHBondContact O-NH2 2.62Å; E421-R424 IonicContact OE2-CZ 2.66Å; E421-R424 IonicContact OE2-NH1 2.8Å; E421-R424 PolarHBondContact OE2-NH1 3.26Å
425	Y	98.2	Very high	97.7	Very high	41 Å²	41	57.5 Å²	57.5	16%	0.161	31%	0.308	C	S	.	.			trans	-70.8	141.4	169.3	-76.4	14.4	0	0	0	110	I125 E128 L419 L423 L433	I125-Y425 HydrophobicContact CG1-CE2 4.34Å; E128-Y425 WeakPolarHBondContact OE2-CE1 3.46Å; E128-Y425 VanDerWaalsContact OE2-CZ 3.28Å; E128-Y425 PolarHBondContact OE2-OH 3Å; L419-Y425 HydrophobicContact CD2-CD2 4.24Å; L419-Y425 HydrophobicContact CD2-CE2 4.39Å; L419-Y425 PolarHBondContact O-N 3.4Å; L423-Y425 VanDerWaalsContact C-N 3.26Å; L423-Y425 HydrophobicContact CB-CD1 4.01Å; L423-Y425 HydrophobicContact CB-CE1 4.23Å; L423-Y425 PolarHBondContact O-N 3.35Å; Y425-L433 HydrophobicContact CD2-CD1 3.81Å; Y425-L433 HydrophobicContact CE2-CD1 3.64Å
426	D	97.8	Very high	97.6	Very high	106 Å²	106	60.3 Å²	60.3	57%	0.567	33%	0.331	S	S	*	.			trans	-77.2	164.2	170.9	62.8	65	0	0	0	111.7	G428 A429 I430	D426-G428 PolarHBondContact O-N 3.05Å; D426-G428 WeakPolarHBondContact OD1-CA 3.41Å; D426-G428 PolarHBondContact OD1-N 3.08Å; D426-A429 PolarHBondContact O-N 2.91Å; D426-A429 PolarHBondContact OD1-N 3.23Å; D426-I430 WeakPolarHBondContact O-CG1 3.47Å; D426-I430 PolarHBondContact O-N 2.93Å; D426-I430 VanDerWaalsContact O-N 3.08Å
427	D	96.6	Very high	97.6	Very high	96 Å²	96	58.2 Å²	58.2	51%	0.513	33%	0.332	S	S	.	.	H	α-helix	trans	-64	-27.4	-175.2	-64.5	-37.2	0	0	0	112.3	K420 G431	K420-D427 IonicContact NZ-OD1 2.76Å; K420-D427 PolarHBondContact NZ-OD1 3.43Å; K420-D427 IonicContact NZ-OD2 3.11Å; K420-D427 PolarHBondContact NZ-OD2 3.21Å; K420-D427 VanDerWaalsContact NZ-OD2 3.11Å; D427-G431 PolarHBondContact O-N 3.19Å
428	G	97.7	Very high	97.6	Very high	46 Å²	46	54.3 Å²	54.3	47%	0.474	31%	0.314	S	S	.	.	H	α-helix	trans	-68.6	-50.4	176.3	0	0	0	0	0	111.8	D426 I430 G431 E432	D426-G428 PolarHBondContact O-N 3.05Å; D426-G428 WeakPolarHBondContact OD1-CA 3.41Å; D426-G428 PolarHBondContact OD1-N 3.08Å; G428-I430 VanDerWaalsContact C-N 3.3Å; G428-I430 PolarHBondContact O-N 3.08Å; G428-G431 PolarHBondContact O-N 3.25Å; G428-G431 VanDerWaalsContact O-N 3.16Å; G428-E432 PolarHBondContact O-N 3.38Å
429	A	97.3	Very high	97.6	Very high	29 Å²	29	54.4 Å²	54.4	24%	0.24	32%	0.315	C	S	.	.	H	α-helix	trans	-60.3	-39.6	176.2	0	0	0	0	0	112	D426 E432 L433	D426-A429 PolarHBondContact O-N 2.91Å; D426-A429 PolarHBondContact OD1-N 3.23Å; A429-E432 PolarHBondContact O-N 3.27Å; A429-L433 VanDerWaalsContact O-CG 3.3Å; A429-L433 WeakPolarHBondContact O-CG 3.2Å; A429-L433 PolarHBondContact O-N 2.96Å
430	I	97.7	Very high	97.5	Very high	3 Å²	3	55.9 Å²	55.9	2%	0.015	33%	0.327	C	S	.	.	H	α-helix	trans	-64.7	-44.4	175.3	-65.1	170.3	0	0	0	110.4	M416 L419 K420 D426 G428 E432 L433 L434	M416-I430 HydrophobicContact CG-CG2 4.37Å; L419-I430 HydrophobicContact CB-CD1 3.92Å; L419-I430 HydrophobicContact CB-CG1 3.93Å; L419-I430 HydrophobicContact CD1-CG1 4.27Å; L419-I430 HydrophobicContact CD1-CG2 4.28Å; K420-I430 HydrophobicContact CB-CD1 3.99Å; D426-I430 WeakPolarHBondContact O-CG1 3.47Å; D426-I430 PolarHBondContact O-N 2.93Å; D426-I430 VanDerWaalsContact O-N 3.08Å; G428-I430 VanDerWaalsContact C-N 3.3Å; G428-I430 PolarHBondContact O-N 3.08Å; I430-E432 VanDerWaalsContact C-N 3.34Å; I430-E432 PolarHBondContact O-N 2.92Å; I430-L433 PolarHBondContact O-N 3.24Å; I430-L434 HydrophobicContact CG2-CD1 3.9Å; I430-L434 HydrophobicContact CG2-CG 4.43Å; I430-L434 WeakPolarHBondContact O-CG 3.38Å; I430-L434 PolarHBondContact O-N 3.42Å
431	G	97.5	Very high	97.4	Very high	29 Å²	29	54.7 Å²	54.7	30%	0.299	32%	0.322	S	S	.	.	H	α-helix	trans	-59	-41.3	177.1	0	0	0	0	0	113.3	D427 G428 L434 S435	D427-G431 PolarHBondContact O-N 3.19Å; G428-G431 PolarHBondContact O-N 3.25Å; G428-G431 VanDerWaalsContact O-N 3.16Å; G431-L434 PolarHBondContact O-N 2.85Å; G431-S435 WeakPolarHBondContact O-CB 3.31Å; G431-S435 PolarHBondContact O-N 3.44Å; G431-S435 PolarHBondContact O-OG 3.22Å
432	E	97.7	Very high	97	Very high	128 Å²	128	54.2 Å²	54.2	60%	0.598	32%	0.32	S	S	*	.	H	α-helix	trans	-63	-42	174.7	-72.8	-177.1	-171.5	0	0	112.5	G428 A429 I430 S435 A436	G428-E432 PolarHBondContact O-N 3.38Å; A429-E432 PolarHBondContact O-N 3.27Å; I430-E432 VanDerWaalsContact C-N 3.34Å; I430-E432 PolarHBondContact O-N 2.92Å; E432-S435 PolarHBondContact O-N 2.83Å; E432-A436 VanDerWaalsContact O-CB 3.23Å; E432-A436 WeakPolarHBondContact O-CB 3.21Å; E432-A436 PolarHBondContact O-N 3.03Å
433	L	98.1	Very high	95.9	Very high	15 Å²	15	60 Å²	60	8%	0.079	35%	0.345	C	S	.	.	H	α-helix	trans	-67.5	-38.8	179.9	-69.4	165.9	0	0	0	112.4	K121 I125 Y425 A429 I430 G437 V438 V439	K121-L433 HydrophobicContact CB-CD2 4.07Å; K121-L433 HydrophobicContact CD-CD2 4.09Å; I125-L433 HydrophobicContact CD1-CD1 4.01Å; I125-L433 HydrophobicContact CD1-CD2 4.22Å; Y425-L433 HydrophobicContact CD2-CD1 3.81Å; Y425-L433 HydrophobicContact CE2-CD1 3.64Å; A429-L433 VanDerWaalsContact O-CG 3.3Å; A429-L433 WeakPolarHBondContact O-CG 3.2Å; A429-L433 PolarHBondContact O-N 2.96Å; I430-L433 PolarHBondContact O-N 3.24Å; L433-G437 PolarHBondContact O-N 3.45Å; L433-V438 HydrophobicContact CB-CB 4.45Å; L433-V438 HydrophobicContact CD2-CB 3.92Å; L433-V438 HydrophobicContact CD2-CG1 3.84Å; L433-V438 HydrophobicContact CD2-CG2 4.24Å; L433-V438 PolarHBondContact O-N 3.32Å; L433-V439 HydrophobicContact CB-CG1 4.49Å; L433-V439 HydrophobicContact CB-CG2 3.76Å; L433-V439 PolarHBondContact O-N 3.28Å
434	L	97.4	Very high	94.1	Very high	58 Å²	58	63.1 Å²	63.1	30%	0.304	37%	0.366	S	S	.	.	H	α-helix	trans	-65.1	-49.6	174.4	-73.8	166	0	0	0	110.7	I430 G431 A436 G437 V439 Q441	I430-L434 HydrophobicContact CG2-CD1 3.9Å; I430-L434 HydrophobicContact CG2-CG 4.43Å; I430-L434 WeakPolarHBondContact O-CG 3.38Å; I430-L434 PolarHBondContact O-N 3.42Å; G431-L434 PolarHBondContact O-N 2.85Å; L434-A436 PolarHBondContact O-N 3.46Å; L434-G437 PolarHBondContact O-N 2.76Å; L434-V439 HydrophobicContact CD2-CG2 3.83Å; L434-V439 HydrophobicContact CG-CG2 3.97Å; L434-Q441 HydrophobicContact CD2-CB 4.19Å
435	S	96.9	Very high	91.7	Very high	112 Å²	112	66.9 Å²	66.9	78%	0.783	39%	0.39	S	S	*	.	H	α-helix	trans	-62	-34	-179.5	-57	0	0	0	0	112.3	G431 E432 G437	G431-S435 WeakPolarHBondContact O-CB 3.31Å; G431-S435 PolarHBondContact O-N 3.44Å; G431-S435 PolarHBondContact O-OG 3.22Å; E432-S435 PolarHBondContact O-N 2.83Å; S435-G437 VanDerWaalsContact C-N 3.28Å; S435-G437 PolarHBondContact O-N 2.99Å
436	A	96.6	Very high	91.4	Very high	59 Å²	59	68.2 Å²	68.2	49%	0.488	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-2.8	176.2	0	0	0	0	0	114	E432 L434 V438	E432-A436 VanDerWaalsContact O-CB 3.23Å; E432-A436 WeakPolarHBondContact O-CB 3.21Å; E432-A436 PolarHBondContact O-N 3.03Å; L434-A436 PolarHBondContact O-N 3.46Å; A436-V438 HydrophobicContact CB-CG2 3.92Å; A436-V438 PolarHBondContact O-N 3.39Å
437	G	96.4	Very high	91.1	Very high	43 Å²	43	66.2 Å²	66.2	44%	0.443	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.9	18	-176.8	0	0	0	0	0	114.2	L433 L434 S435 V439	L433-G437 PolarHBondContact O-N 3.45Å; L434-G437 PolarHBondContact O-N 2.76Å; S435-G437 VanDerWaalsContact C-N 3.28Å; S435-G437 PolarHBondContact O-N 2.99Å; G437-V439 VanDerWaalsContact C-N 3.33Å
438	V	97.9	Very high	90.7	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	39%	0.386	C	S	.	.	S	Bend	trans	-72.1	-35.4	176	179.5	0	0	0	0	110	V115 N116 D119 K121 I125 L433 A436	V115-V438 CarbonylContact C-O 3.47Å; V115-V438 WeakPolarHBondContact CA-O 3.47Å; N116-V438 PolarHBondContact N-O 3.09Å; D119-V438 HydrophobicContact CB-CG2 4.42Å; K121-V438 HydrophobicContact CB-CG1 3.88Å; K121-V438 HydrophobicContact CB-CG2 4.17Å; K121-V438 HydrophobicContact CD-CG2 4.23Å; I125-V438 HydrophobicContact CD1-CG1 4.26Å; L433-V438 HydrophobicContact CB-CB 4.45Å; L433-V438 HydrophobicContact CD2-CB 3.92Å; L433-V438 HydrophobicContact CD2-CG1 3.84Å; L433-V438 HydrophobicContact CD2-CG2 4.24Å; L433-V438 PolarHBondContact O-N 3.32Å; A436-V438 HydrophobicContact CB-CG2 3.92Å; A436-V438 PolarHBondContact O-N 3.39Å
439	V	98.3	Very high	90.3	Very high	3 Å²	3	65.6 Å²	65.6	2%	0.018	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	159.3	174.6	-56.4	0	0	0	0	110.2	A114 V115 I125 T415 L419 L433 L434 G437	A114-V439 WeakPolarHBondContact O-CA 3.44Å; A114-V439 WeakPolarHBondContact O-CB 3.35Å; V115-V439 HydrophobicContact CG1-CG1 4.44Å; V115-V439 HydrophobicContact CG2-CG1 4.29Å; I125-V439 HydrophobicContact CD1-CG1 3.69Å; T415-V439 HydrophobicContact CG2-CB 3.81Å; T415-V439 HydrophobicContact CG2-CG2 3.98Å; L419-V439 HydrophobicContact CD1-CG1 4.3Å; L419-V439 HydrophobicContact CD1-CG2 4.02Å; L433-V439 HydrophobicContact CB-CG1 4.49Å; L433-V439 HydrophobicContact CB-CG2 3.76Å; L433-V439 PolarHBondContact O-N 3.28Å; L434-V439 HydrophobicContact CD2-CG2 3.83Å; L434-V439 HydrophobicContact CG-CG2 3.97Å; G437-V439 VanDerWaalsContact C-N 3.33Å
440	A	97.4	Very high	89.9	Confident	31 Å²	31	67.9 Å²	67.9	26%	0.256	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	139.5	173.3	0	0	0	0	0	110.6	P82 A114 T415	P82-A440 HydrophobicContact CB-CB 4Å; A114-A440 HydrophobicContact CB-CB 4.01Å; A114-A440 WeakPolarHBondContact CB-O 3.17Å; A114-A440 PolarHBondContact O-N 2.78Å; A114-A440 VanDerWaalsContact O-N 3.12Å; T415-A440 WeakPolarHBondContact CB-O 3.08Å; T415-A440 WeakPolarHBondContact CG2-O 3.4Å; T415-A440 PolarHBondContact OG1-O 2.99Å
441	Q	95.7	Very high	89.4	Confident	57 Å²	57	72.2 Å²	72.2	27%	0.266	41%	0.414	S	S	.	.			trans	-105.9	137.9	171.4	175.5	62.9	41.2	0	0	108.1	G412 Q413 M416 L434	G412-Q441 PolarHBondContact O-NE2 3.13Å; G412-Q441 PolarHBondContact O-OE1 3.45Å; Q413-Q441 PolarHBondContact O-NE2 2.95Å; M416-Q441 HydrophobicContact CG-CB 4.18Å; M416-Q441 HydrophobicContact CG-CG 4.01Å; M416-Q441 HydrophobicContact SD-CB 4.48Å; M416-Q441 HydrophobicContact SD-CG 4Å; L434-Q441 HydrophobicContact CD2-CB 4.19Å
442	H	88.9	Confident	88.8	Confident	74 Å²	74	75.3 Å²	75.3	34%	0.343	42%	0.422	S	S	.	.			trans	-85.5	126	166.2	-164.8	84.7	0	0	0	109.4	L410 L411 G412 T444	L410-H442 VanDerWaalsContact CD1-CD2 3.42Å; L410-H442 WeakPolarHBondContact CD1-CD2 3.28Å; L411-H442 VanDerWaalsContact O-CB 3.22Å; L411-H442 WeakPolarHBondContact O-CB 3.39Å; G412-H442 PolarHBondContact O-N 3.31Å; H442-T444 PolarHBondContact O-N 2.78Å
443	E	73.6	Confident	88.1	Confident	144 Å²	144	71.2 Å²	71.2	67%	0.673	41%	0.409	S	S	*	.			trans	-77.3	115.3	174.2	-64	-175.3	-179.8	0	0	108.1	H445	E443-H445 PolarHBondContact O-N 2.95Å; E443-H445 IonicContact OE2-CE1 3.83Å
444	T	59.7	Low	87.3	Confident	90 Å²	90	75.9 Å²	75.9	55%	0.552	44%	0.436	S	S	*	.			trans	-80.8	109	166.3	49.7	0	0	0	0	107	L410 H442	L410-T444 HydrophobicContact CD1-CG2 4.18Å; H442-T444 PolarHBondContact O-N 2.78Å
445	H	48.7	Very low	86.4	Confident	240 Å²	240	77.5 Å²	77.5	100%	1.111	45%	0.449	S	S	*	.			trans	-73.5	0	171.7	-69	-48.2	0	0	0	111.9	E443	E443-H445 PolarHBondContact O-N 2.95Å; E443-H445 IonicContact OE2-CE1 3.83Å

Retrieved 445 of 445 residues in 2675.7 ms (Link to these results)

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