A0A087YHQ1_POEFO Loading...

Proteasome subunit alpha type

Component of the 20S core proteasome complex involved in the proteolytic degradation of most intracellular proteins. This complex plays numerous essential roles within the cell by associating with different regulatory particles. Associated with two 19S regulatory particles, forms the 26S proteasome and thus participates in the ATP-dependent degradation of ubiquitinated proteins. The 26S proteasome plays a key role in the maintenance of protein homeostasis by removing misfolded or damaged proteins that could impair cellular functions, and by removing proteins whose functions are no longer required. Associated with the PA200 or PA28, the 20S proteasome mediates ubiquitin-independent protein degradation. This type of proteolysis is required in several pathways including spermatogenesis (20S-PA200 complex) or generation of a subset of MHC class I-presented antigenic peptides (20S-PA28 complex).

AlphaFold DB , UniProt , Accession A0A087YHQ1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 283 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	36.3	Very low	35.1	Very low	245 Å²	245	138.3 Å²	138.3	100%	1.207	82%	0.818	S	S	*	*				0	107.9	0	-76.8	170.6	179.2	0	0	106.5
2	N	29.6	Very low	34.7	Very low	163 Å²	163	138.4 Å²	138.4	87%	0.872	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-75.3	139.5	177.2	-96.7	-15.5	0	0	0	109.3	G4	N2-G4 PolarHBondContact O-N 2.89Å
3	P	39.3	Very low	34.6	Very low	121 Å²	121	137.9 Å²	137.9	79%	0.786	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-66.7	124.6	169.6	27.4	-29.5	0	0	0	108.7	T5	P3-T5 PolarHBondContact O-N 2.85Å
4	G	35.2	Very low	35.1	Very low	75 Å²	75	134 Å²	134	77%	0.773	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-62	131.6	-174.4	0	0	0	0	0	112.4	N2 L6	N2-G4 PolarHBondContact O-N 2.89Å; G4-L6 PolarHBondContact O-N 3.14Å
5	T	32.7	Very low	35.1	Very low	128 Å²	128	132.5 Å²	132.5	79%	0.785	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-70.7	118.7	169.1	-47.8	0	0	0	0	108.9	P3 V7	P3-T5 PolarHBondContact O-N 2.85Å; T5-V7 HydrophobicContact CG2-CG2 4.26Å; T5-V7 PolarHBondContact O-N 3.22Å
6	L	36.1	Very low	35.2	Very low	177 Å²	177	134.9 Å²	134.9	93%	0.927	81%	0.805	S	S	*	*			trans	-74.1	104.5	165.9	-91.3	149.3	0	0	0	108	G4	G4-L6 PolarHBondContact O-N 3.14Å
7	V	30.9	Very low	35.5	Very low	99 Å²	99	136.5 Å²	136.5	60%	0.6	81%	0.807	S	S	*	*			trans	-88	118.3	171.5	-177.6	0	0	0	0	107.6	T5 D9	T5-V7 HydrophobicContact CG2-CG2 4.26Å; T5-V7 PolarHBondContact O-N 3.22Å; V7-D9 WeakPolarHBondContact CG1-OD1 3.47Å; V7-D9 PolarHBondContact O-N 3.31Å
8	C	36.7	Very low	35.5	Very low	117 Å²	117	134.7 Å²	134.7	79%	0.791	80%	0.798	S	S	*	*			trans	-91.3	88.3	174.6	-165.8	0	0	0	0	108	S10	C8-S10 PolarHBondContact O-N 2.8Å
9	D	30	Very low	35.8	Very low	134 Å²	134	134.4 Å²	134.4	72%	0.717	79%	0.792	S	S	*	*			trans	-81.9	116	176	-80	-28.4	0	0	0	110.4	V7	V7-D9 WeakPolarHBondContact CG1-OD1 3.47Å; V7-D9 PolarHBondContact O-N 3.31Å
10	S	35.9	Very low	36	Very low	96 Å²	96	136.2 Å²	136.2	67%	0.671	79%	0.792	S	S	*	*			trans	48.1	103.3	160.1	57.7	0	0	0	0	118.5	C8 M12	C8-S10 PolarHBondContact O-N 2.8Å; S10-M12 PolarHBondContact O-N 3.4Å
11	L	43.1	Very low	36.6	Very low	166 Å²	166	137.8 Å²	137.8	87%	0.869	79%	0.791	S	S	*	*			trans	-73.6	85.1	164.4	-77.2	156.7	0	0	0	110.7
12	M	31	Very low	36.9	Very low	140 Å²	140	135.5 Å²	135.5	69%	0.69	78%	0.778	S	S	*	*			trans	-85	146.1	159.1	-72.9	-86.5	-164.9	0	0	109.4	S10 G14 T15	S10-M12 PolarHBondContact O-N 3.4Å; M12-G14 PolarHBondContact O-N 3.09Å; M12-T15 PolarHBondContact O-OG1 3.26Å
13	P	33.1	Very low	38	Very low	132 Å²	132	130.4 Å²	130.4	86%	0.857	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	125.1	176.2	11.9	-6.7	0	0	0	110.8
14	G	41	Very low	38.5	Very low	83 Å²	83	128 Å²	128	86%	0.856	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	115.9	3.8	173.3	0	0	0	0	0	116.7	M12	M12-G14 PolarHBondContact O-N 3.09Å
15	T	36	Very low	39.4	Very low	111 Å²	111	129.7 Å²	129.7	68%	0.681	74%	0.741	S	S	*	*			trans	-87.9	116	178.9	-22.1	0	0	0	0	111.4	M12	M12-T15 PolarHBondContact O-OG1 3.26Å
16	E	36.8	Very low	40.3	Very low	172 Å²	172	131 Å²	131	80%	0.804	74%	0.738	S	S	*	*			trans	-66.3	134.8	165.7	-85.4	-179.4	155	0	0	110.4	T18	E16-T18 PolarHBondContact O-N 2.86Å; E16-T18 VanDerWaalsContact O-N 3.09Å
17	L	39.6	Very low	41.1	Very low	161 Å²	161	124.4 Å²	124.4	84%	0.843	71%	0.707	S	S	*	*			trans	-76.5	88.2	172.9	-94.4	147.8	0	0	0	109.4	L19	L17-L19 PolarHBondContact O-N 2.75Å
18	T	36.7	Very low	42.1	Very low	105 Å²	105	122.5 Å²	122.5	64%	0.644	70%	0.698	S	S	*	*			trans	-82.7	111.5	168.7	33.8	0	0	0	0	110.9	E16	E16-T18 PolarHBondContact O-N 2.86Å; E16-T18 VanDerWaalsContact O-N 3.09Å
19	L	40.7	Very low	43	Very low	128 Å²	128	123.8 Å²	123.8	67%	0.67	69%	0.693	S	S	*	*			trans	-77.9	116.9	172.4	-77.4	163.7	0	0	0	110.3	L17	L17-L19 PolarHBondContact O-N 2.75Å
20	H	39.3	Very low	44.2	Very low	171 Å²	171	123.6 Å²	123.6	79%	0.792	69%	0.691	S	S	*	*			trans	-98.2	60.2	171.4	-73.7	-68.2	0	0	0	111.5
21	H	47.9	Very low	45.3	Very low	170 Å²	170	122.7 Å²	122.7	79%	0.787	68%	0.678	S	S	*	*	S	Bend	trans	175.4	147.8	150.9	-114.9	-62.2	0	0	0	111.7	A23	H21-A23 PolarHBondContact O-N 2.82Å; H21-A23 VanDerWaalsContact O-N 3.08Å
22	E	43.9	Very low	45.8	Very low	197 Å²	197	120.6 Å²	120.6	92%	0.921	66%	0.664	S	S	*	*			trans	-56.2	107.4	171.1	-76.8	178.2	149.1	0	0	111.3
23	A	51.4	Low	46.9	Very low	56 Å²	56	116.8 Å²	116.8	46%	0.463	65%	0.654	S	S	.	*			trans	-81.1	143.2	173.6	0	0	0	0	0	110.6	H21	H21-A23 PolarHBondContact O-N 2.82Å; H21-A23 VanDerWaalsContact O-N 3.08Å
24	S	51.2	Low	48.2	Very low	69 Å²	69	117.8 Å²	117.8	48%	0.483	65%	0.646	S	S	.	*			trans	-67.5	155.7	174.6	68.1	0	0	0	0	111.1	E26 S27 S28	S24-E26 VanDerWaalsContact C-N 3.32Å; S24-E26 PolarHBondContact O-N 3.07Å; S24-S27 PolarHBondContact N-OG 3.35Å; S24-S27 PolarHBondContact O-N 3.49Å; S24-S27 PolarHBondContact O-OG 3.06Å; S24-S27 PolarHBondContact OG-OG 2.71Å; S24-S27 VanDerWaalsContact OG-OG 3.11Å; S24-S28 PolarHBondContact O-N 3.47Å; S24-S28 VanDerWaalsContact O-N 3.13Å
25	P	54.4	Low	48.7	Very low	111 Å²	111	116.5 Å²	116.5	72%	0.721	62%	0.623	S	S	*	*	H	α-helix	trans	-54.1	-41.7	-174.2	-26	33.4	0	0	0	114.3	S27 S28 E29	P25-S27 VanDerWaalsContact C-N 3.34Å; P25-S27 PolarHBondContact O-N 3.16Å; P25-S28 WeakPolarHBondContact O-CB 3.43Å; P25-S28 PolarHBondContact O-N 2.76Å; P25-E29 PolarHBondContact O-N 3.1Å
26	E	51.3	Low	49.5	Very low	155 Å²	155	116.3 Å²	116.3	72%	0.724	62%	0.617	S	S	*	*	H	α-helix	trans	-65.7	-34.2	178.3	-68.6	-178	162.8	0	0	112.8	S24 L30	S24-E26 VanDerWaalsContact C-N 3.32Å; S24-E26 PolarHBondContact O-N 3.07Å; E26-L30 PolarHBondContact O-N 3.45Å
27	S	51.8	Low	50.1	Low	39 Å²	39	115.2 Å²	115.2	27%	0.273	61%	0.61	S	S	.	*	H	α-helix	trans	-74	-29.2	176.1	56.7	0	0	0	0	112.6	S24 P25 I31	S24-S27 PolarHBondContact N-OG 3.35Å; S24-S27 PolarHBondContact O-N 3.49Å; S24-S27 PolarHBondContact O-OG 3.06Å; S24-S27 PolarHBondContact OG-OG 2.71Å; S24-S27 VanDerWaalsContact OG-OG 3.11Å; P25-S27 VanDerWaalsContact C-N 3.34Å; P25-S27 PolarHBondContact O-N 3.16Å; S27-I31 WeakPolarHBondContact O-CB 3.43Å; S27-I31 VanDerWaalsContact O-CD1 3.24Å; S27-I31 WeakPolarHBondContact O-CD1 3.09Å; S27-I31 WeakPolarHBondContact O-CG1 3.49Å; S27-I31 PolarHBondContact O-N 2.86Å; S27-I31 VanDerWaalsContact O-N 3.07Å
28	S	53.1	Low	50.6	Low	59 Å²	59	109.5 Å²	109.5	41%	0.413	59%	0.586	S	S	.	*	H	α-helix	trans	-66.6	-41.8	173.5	-168.7	0	0	0	0	112.4	S24 P25 I31 Q32	S24-S28 PolarHBondContact O-N 3.47Å; S24-S28 VanDerWaalsContact O-N 3.13Å; P25-S28 WeakPolarHBondContact O-CB 3.43Å; P25-S28 PolarHBondContact O-N 2.76Å; S28-I31 PolarHBondContact O-N 2.94Å; S28-Q32 VanDerWaalsContact O-CB 3.32Å; S28-Q32 WeakPolarHBondContact O-CB 3.32Å; S28-Q32 PolarHBondContact O-N 3.33Å
29	E	54.4	Low	51.1	Low	144 Å²	144	110.3 Å²	110.3	67%	0.673	58%	0.582	S	S	*	*	H	α-helix	trans	-66.4	-41	177.9	-76.1	-173.3	160.6	0	0	112.5	P25 Q32 A33	P25-E29 PolarHBondContact O-N 3.1Å; E29-Q32 PolarHBondContact O-N 3.2Å; E29-A33 WeakPolarHBondContact O-CB 3.04Å; E29-A33 PolarHBondContact O-N 2.95Å
30	L	55	Low	51.3	Low	131 Å²	131	113.3 Å²	113.3	69%	0.686	59%	0.585	S	S	*	*	H	α-helix	trans	-65.5	-39.3	175.8	-76.6	169	0	0	0	112.2	E26 F34	E26-L30 PolarHBondContact O-N 3.45Å; L30-F34 WeakPolarHBondContact O-CB 3.28Å; L30-F34 PolarHBondContact O-N 3.27Å
31	I	59.8	Low	51.4	Low	76 Å²	76	110.5 Å²	110.5	39%	0.39	58%	0.575	S	S	.	*	H	α-helix	trans	-65.6	-42.4	174.9	-69.9	163.9	0	0	0	110.2	S27 S28 F34 C35	S27-I31 WeakPolarHBondContact O-CB 3.43Å; S27-I31 VanDerWaalsContact O-CD1 3.24Å; S27-I31 WeakPolarHBondContact O-CD1 3.09Å; S27-I31 WeakPolarHBondContact O-CG1 3.49Å; S27-I31 PolarHBondContact O-N 2.86Å; S27-I31 VanDerWaalsContact O-N 3.07Å; S28-I31 PolarHBondContact O-N 2.94Å; I31-F34 PolarHBondContact O-N 3.49Å; I31-C35 WeakPolarHBondContact O-CB 3.29Å; I31-C35 PolarHBondContact O-N 2.86Å; I31-C35 PolarHBondContact O-SG 3.04Å; I31-C35 VanDerWaalsContact O-SG 3.37Å
32	Q	53	Low	51.2	Low	122 Å²	122	109.5 Å²	109.5	57%	0.57	57%	0.568	S	S	*	*	H	α-helix	trans	-66.9	-41	179	-165.4	160.9	2.5	0	0	112.1	S28 E29 F34 C35 L36	S28-Q32 VanDerWaalsContact O-CB 3.32Å; S28-Q32 WeakPolarHBondContact O-CB 3.32Å; S28-Q32 PolarHBondContact O-N 3.33Å; E29-Q32 PolarHBondContact O-N 3.2Å; Q32-F34 VanDerWaalsContact C-N 3.33Å; Q32-F34 PolarHBondContact O-N 2.71Å; Q32-C35 PolarHBondContact O-N 3.09Å; Q32-L36 HydrophobicContact CG-CD1 4.16Å; Q32-L36 WeakPolarHBondContact O-CB 3.35Å; Q32-L36 WeakPolarHBondContact O-CD1 3.41Å; Q32-L36 PolarHBondContact O-N 2.89Å
33	A	54.2	Low	51.1	Low	60 Å²	60	106.6 Å²	106.6	50%	0.496	56%	0.556	S	S	.	*	H	α-helix	trans	-63.6	-37.6	172.8	0	0	0	0	0	112.3	E29 K37	E29-A33 WeakPolarHBondContact O-CB 3.04Å; E29-A33 PolarHBondContact O-N 2.95Å; A33-K37 VanDerWaalsContact O-CB 3.3Å; A33-K37 WeakPolarHBondContact O-CB 3.39Å; A33-K37 PolarHBondContact O-N 2.95Å
34	F	60.1	Low	50.9	Low	154 Å²	154	113.1 Å²	113.1	68%	0.675	57%	0.574	S	S	*	*	H	α-helix	trans	-69.9	-41.5	175.9	-164.6	-92.8	0	0	0	112	L30 I31 Q32 K37 A38	L30-F34 WeakPolarHBondContact O-CB 3.28Å; L30-F34 PolarHBondContact O-N 3.27Å; I31-F34 PolarHBondContact O-N 3.49Å; Q32-F34 VanDerWaalsContact C-N 3.33Å; Q32-F34 PolarHBondContact O-N 2.71Å; F34-K37 PolarHBondContact O-N 3.05Å; F34-A38 WeakPolarHBondContact O-CB 3.5Å; F34-A38 PolarHBondContact O-N 3.03Å
35	C	51.5	Low	50.8	Low	56 Å²	56	116.3 Å²	116.3	38%	0.378	59%	0.585	S	S	.	*	H	α-helix	trans	-62.3	-45.7	173.7	-75.1	0	0	0	0	111.7	I31 Q32 K37 A38 E39	I31-C35 WeakPolarHBondContact O-CB 3.29Å; I31-C35 PolarHBondContact O-N 2.86Å; I31-C35 PolarHBondContact O-SG 3.04Å; I31-C35 VanDerWaalsContact O-SG 3.37Å; Q32-C35 PolarHBondContact O-N 3.09Å; C35-K37 VanDerWaalsContact C-N 3.28Å; C35-K37 PolarHBondContact O-N 3.46Å; C35-A38 CarbonylContact O-C 3.57Å; C35-A38 PolarHBondContact O-N 3.48Å; C35-A38 VanDerWaalsContact O-N 3.17Å; C35-E39 WeakPolarHBondContact O-CB 3.47Å; C35-E39 WeakPolarHBondContact O-CG 3.47Å; C35-E39 PolarHBondContact O-N 2.8Å
36	L	52.4	Low	50.9	Low	106 Å²	106	116.3 Å²	116.3	56%	0.555	58%	0.584	S	S	*	*	H	α-helix	trans	-59.6	-40.1	173.7	-103.8	109.5	0	0	0	111.8	Q32 E39 R40	Q32-L36 HydrophobicContact CG-CD1 4.16Å; Q32-L36 WeakPolarHBondContact O-CB 3.35Å; Q32-L36 WeakPolarHBondContact O-CD1 3.41Å; Q32-L36 PolarHBondContact O-N 2.89Å; L36-E39 PolarHBondContact O-N 3.28Å; L36-R40 WeakPolarHBondContact O-CB 3.5Å; L36-R40 PolarHBondContact O-N 3.31Å
37	K	50.8	Low	50.9	Low	149 Å²	149	118.3 Å²	118.3	65%	0.648	58%	0.584	S	S	*	*	H	α-helix	trans	-68.9	-36.3	177.5	-161.4	168.9	-174.8	177.7	0	111.8	A33 F34 C35 L41	A33-K37 VanDerWaalsContact O-CB 3.3Å; A33-K37 WeakPolarHBondContact O-CB 3.39Å; A33-K37 PolarHBondContact O-N 2.95Å; F34-K37 PolarHBondContact O-N 3.05Å; C35-K37 VanDerWaalsContact C-N 3.28Å; C35-K37 PolarHBondContact O-N 3.46Å; K37-L41 WeakPolarHBondContact O-CB 3.28Å; K37-L41 PolarHBondContact O-N 2.85Å
38	A	49.7	Very low	51.1	Low	41 Å²	41	119 Å²	119	34%	0.339	59%	0.589	S	S	.	*	H	α-helix	trans	-71.6	-36.3	174.8	0	0	0	0	0	112.4	F34 C35 L41 K42	F34-A38 WeakPolarHBondContact O-CB 3.5Å; F34-A38 PolarHBondContact O-N 3.03Å; C35-A38 CarbonylContact O-C 3.57Å; C35-A38 PolarHBondContact O-N 3.48Å; C35-A38 VanDerWaalsContact O-N 3.17Å; A38-L41 PolarHBondContact O-N 2.94Å; A38-K42 WeakPolarHBondContact O-CG 3.46Å; A38-K42 PolarHBondContact O-N 3.23Å
39	E	46.2	Very low	51.1	Low	122 Å²	122	121.1 Å²	121.1	57%	0.57	59%	0.593	S	S	*	*	H	α-helix	trans	-66.7	-41.6	170.7	-77.3	-178.9	163	0	0	111.4	C35 L36 L41 K42 M43	C35-E39 WeakPolarHBondContact O-CB 3.47Å; C35-E39 WeakPolarHBondContact O-CG 3.47Å; C35-E39 PolarHBondContact O-N 2.8Å; L36-E39 PolarHBondContact O-N 3.28Å; E39-L41 VanDerWaalsContact C-N 3.27Å; E39-L41 PolarHBondContact O-N 3.37Å; E39-K42 PolarHBondContact O-N 3.45Å; E39-M43 PolarHBondContact O-N 2.86Å
40	R	45.2	Very low	51.2	Low	192 Å²	192	121.9 Å²	121.9	73%	0.725	59%	0.591	S	S	*	*	H	α-helix	trans	-58.8	-38.4	169.3	-113.9	-177.6	176.1	-156.9	-0.3	112.5	L36 M43 F44	L36-R40 WeakPolarHBondContact O-CB 3.5Å; L36-R40 PolarHBondContact O-N 3.31Å; R40-M43 WeakPolarHBondContact O-CB 3.12Å; R40-F44 PolarHBondContact O-N 3.39Å
41	L	42.2	Very low	51.6	Low	111 Å²	111	118.3 Å²	118.3	58%	0.581	57%	0.572	S	S	*	*	H	α-helix	trans	-71.4	-37.5	176.9	-129.8	94.9	0	0	0	112.2	K37 A38 E39 M43 F44 L45	K37-L41 WeakPolarHBondContact O-CB 3.28Å; K37-L41 PolarHBondContact O-N 2.85Å; A38-L41 PolarHBondContact O-N 2.94Å; E39-L41 VanDerWaalsContact C-N 3.27Å; E39-L41 PolarHBondContact O-N 3.37Å; L41-M43 VanDerWaalsContact C-N 3.33Å; L41-F44 WeakPolarHBondContact O-CB 3.33Å; L41-F44 PolarHBondContact O-N 2.99Å; L41-L45 PolarHBondContact O-N 2.95Å
42	K	43.5	Very low	52.3	Low	150 Å²	150	126.3 Å²	126.3	65%	0.652	60%	0.598	S	S	*	*	H	α-helix	trans	-64.3	-36.8	173.7	-80.6	178.2	178.2	176.2	0	111.9	A38 E39 F44 L45	A38-K42 WeakPolarHBondContact O-CG 3.46Å; A38-K42 PolarHBondContact O-N 3.23Å; E39-K42 PolarHBondContact O-N 3.45Å; K42-F44 PolarHBondContact O-N 3.48Å; K42-L45 CarbonylContact O-C 3.55Å; K42-L45 PolarHBondContact O-N 2.73Å; K42-L45 VanDerWaalsContact O-N 3.14Å
43	M	42	Very low	53.6	Low	136 Å²	136	121.4 Å²	121.4	67%	0.67	58%	0.579	S	S	*	*	H	α-helix	trans	-60.1	-30.2	172.3	-109.3	-178.3	-77.3	0	0	113	E39 R40 L41 L45	E39-M43 PolarHBondContact O-N 2.86Å; R40-M43 WeakPolarHBondContact O-CB 3.12Å; L41-M43 VanDerWaalsContact C-N 3.33Å; M43-L45 VanDerWaalsContact C-N 3.34Å
44	F	47.1	Very low	55	Low	192 Å²	192	119.6 Å²	119.6	84%	0.842	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.8	-12.3	177.7	-110	-89.2	0	0	0	114	R40 L41 K42	R40-F44 PolarHBondContact O-N 3.39Å; L41-F44 WeakPolarHBondContact O-CB 3.33Å; L41-F44 PolarHBondContact O-N 2.99Å; K42-F44 PolarHBondContact O-N 3.48Å
45	L	49.8	Very low	56.3	Low	136 Å²	136	116 Å²	116	71%	0.712	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122	32.8	-174.7	-75	161.5	0	0	0	111.5	L41 K42 M43 R47	L41-L45 PolarHBondContact O-N 2.95Å; K42-L45 CarbonylContact O-C 3.55Å; K42-L45 PolarHBondContact O-N 2.73Å; K42-L45 VanDerWaalsContact O-N 3.14Å; M43-L45 VanDerWaalsContact C-N 3.34Å; L45-R47 PolarHBondContact O-N 3.31Å; L45-R47 VanDerWaalsContact O-N 3.1Å
46	T	55.4	Low	58.1	Low	112 Å²	112	115.3 Å²	115.3	69%	0.687	54%	0.544	S	S	*	.			trans	-58.6	118	162.9	43	0	0	0	0	107.7	S48	T46-S48 PolarHBondContact O-N 2.93Å
47	R	51.3	Low	59.8	Low	196 Å²	196	116.4 Å²	116.4	74%	0.74	55%	0.545	S	S	*	.			trans	-55.2	94.5	-170.7	-170.1	179.3	-175.5	-162.2	-7.6	111.1	L45 E49	L45-R47 PolarHBondContact O-N 3.31Å; L45-R47 VanDerWaalsContact O-N 3.1Å; R47-E49 HydrophobicContact CG-CG 3.89Å; R47-E49 VanDerWaalsContact CZ-CD 3.46Å; R47-E49 IonicContact CZ-OE1 3.4Å; R47-E49 IonicContact CZ-OE2 2.71Å; R47-E49 IonicContact NE-OE1 3.4Å; R47-E49 PolarHBondContact NE-OE1 3.28Å; R47-E49 IonicContact NE-OE2 3.12Å; R47-E49 PolarHBondContact NE-OE2 3.48Å; R47-E49 VanDerWaalsContact NE-OE2 3.14Å; R47-E49 IonicContact NH2-OE1 2.73Å; R47-E49 PolarHBondContact NH2-OE1 3.44Å; R47-E49 IonicContact NH2-OE2 2.75Å; R47-E49 PolarHBondContact NH2-OE2 2.82Å; R47-E49 PolarHBondContact O-N 2.89Å
48	S	55.8	Low	61.6	Low	54 Å²	54	109.8 Å²	109.8	38%	0.378	52%	0.517	S	S	.	.			trans	-90.7	82	173.1	-164.9	0	0	0	0	109.4	T46 Y50 D51	T46-S48 PolarHBondContact O-N 2.93Å; S48-Y50 VanDerWaalsContact C-N 3.32Å; S48-D51 WeakPolarHBondContact CB-OD2 3.49Å; S48-D51 VanDerWaalsContact OG-CB 3.23Å; S48-D51 WeakPolarHBondContact OG-CB 3.28Å; S48-D51 PolarHBondContact OG-OD1 3.26Å; S48-D51 PolarHBondContact OG-OD2 2.85Å
49	E	54.3	Low	63.5	Low	104 Å²	104	113.5 Å²	113.5	49%	0.486	54%	0.538	S	S	.	.	S	Bend	trans	-85.7	-5.5	177.7	-85.6	-179.9	173	0	0	113.1	R47	R47-E49 HydrophobicContact CG-CG 3.89Å; R47-E49 VanDerWaalsContact CZ-CD 3.46Å; R47-E49 IonicContact CZ-OE1 3.4Å; R47-E49 IonicContact CZ-OE2 2.71Å; R47-E49 IonicContact NE-OE1 3.4Å; R47-E49 PolarHBondContact NE-OE1 3.28Å; R47-E49 IonicContact NE-OE2 3.12Å; R47-E49 PolarHBondContact NE-OE2 3.48Å; R47-E49 VanDerWaalsContact NE-OE2 3.14Å; R47-E49 IonicContact NH2-OE1 2.73Å; R47-E49 PolarHBondContact NH2-OE1 3.44Å; R47-E49 IonicContact NH2-OE2 2.75Å; R47-E49 PolarHBondContact NH2-OE2 2.82Å; R47-E49 PolarHBondContact O-N 2.89Å
50	Y	54.8	Low	65.5	Low	159 Å²	159	113.7 Å²	113.7	62%	0.624	54%	0.539	S	S	*	.	S	Bend	trans	-138.2	16.7	-166.6	-61.8	-80.7	0	0	0	115.6	S48 T56	S48-Y50 VanDerWaalsContact C-N 3.32Å; Y50-T56 WeakPolarHBondContact O-CB 3.45Å; Y50-T56 WeakPolarHBondContact O-CG2 3.46Å
51	D	65.3	Low	67.7	Low	56 Å²	56	107 Å²	107	30%	0.299	53%	0.529	S	S	.	.			trans	-98.7	14.3	-176.6	69.1	-11.3	0	0	0	115.6	S48 G53 Y68	S48-D51 WeakPolarHBondContact CB-OD2 3.49Å; S48-D51 VanDerWaalsContact OG-CB 3.23Å; S48-D51 WeakPolarHBondContact OG-CB 3.28Å; S48-D51 PolarHBondContact OG-OD1 3.26Å; S48-D51 PolarHBondContact OG-OD2 2.85Å; D51-G53 VanDerWaalsContact C-N 3.3Å; D51-G53 PolarHBondContact O-N 3.47Å; D51-Y68 HydrophobicContact CB-CE2 4.23Å
52	R	72.7	Confident	70	Confident	245 Å²	245	107.3 Å²	107.3	93%	0.925	52%	0.523	S	S	*	.	S	Bend	trans	-66.6	-26.2	-170.7	-68.3	-169	179.8	-173.9	0.8	115
53	G	80.4	Confident	72.3	Confident	18 Å²	18	102.1 Å²	102.1	19%	0.186	50%	0.502	C	S	.	.	S	Bend	trans	-112	145.6	178.2	0	0	0	0	0	111.6	D51 N55 T56	D51-G53 VanDerWaalsContact C-N 3.3Å; D51-G53 PolarHBondContact O-N 3.47Å; G53-N55 PolarHBondContact O-N 3.34Å; G53-T56 WeakPolarHBondContact CA-OG1 3.38Å; G53-T56 PolarHBondContact N-OG1 3.25Å; G53-T56 WeakPolarHBondContact O-CB 3.49Å; G53-T56 PolarHBondContact O-N 3.3Å; G53-T56 PolarHBondContact O-OG1 3.07Å
54	V	83.8	Confident	74.7	Confident	22 Å²	22	97.6 Å²	97.6	13%	0.133	48%	0.479	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-34.3	-178	179.8	0	0	0	0	111.3	Q65 F165 E167 S176	V54-Q65 HydrophobicContact CG1-CG 4.33Å; V54-Q65 WeakPolarHBondContact O-CG 3.42Å; V54-F165 HydrophobicContact CG1-CD2 3.6Å; V54-F165 HydrophobicContact CG1-CE2 3.96Å; V54-E167 PolarHBondContact N-OE1 3.13Å; V54-S176 WeakPolarHBondContact CG2-O 3.45Å
55	N	87.6	Confident	76.8	Confident	78 Å²	78	90.7 Å²	90.7	42%	0.417	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	28.8	-178.2	-66.6	-23.8	0	0	0	113.7	G53	G53-N55 PolarHBondContact O-N 3.34Å
56	T	89.1	Confident	78.9	Confident	43 Å²	43	84.8 Å²	84.8	26%	0.264	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-86.1	128.6	-179.6	-44.5	0	0	0	0	111.9	Y50 G53 F64	Y50-T56 WeakPolarHBondContact O-CB 3.45Å; Y50-T56 WeakPolarHBondContact O-CG2 3.46Å; G53-T56 WeakPolarHBondContact CA-OG1 3.38Å; G53-T56 PolarHBondContact N-OG1 3.25Å; G53-T56 WeakPolarHBondContact O-CB 3.49Å; G53-T56 PolarHBondContact O-N 3.3Å; G53-T56 PolarHBondContact O-OG1 3.07Å; T56-F64 PolarHBondContact O-N 2.86Å
57	F	89.8	Confident	80.7	Confident	129 Å²	129	82.2 Å²	82.2	57%	0.566	40%	0.399	S	S	*	.	B	Isolated β-bridge	trans	-88.4	144.4	177.6	-70.8	-93	0	0	0	112.1	R62 L63	F57-R62 CarbonylContact C-O 3.53Å; F57-R62 WeakPolarHBondContact CA-O 3.35Å; F57-L63 HydrophobicContact CD1-CD2 4.03Å; F57-L63 HydrophobicContact CD1-CG 4.26Å; F57-L63 HydrophobicContact CD2-CD2 3.95Å; F57-L63 HydrophobicContact CE1-CD2 3.85Å; F57-L63 HydrophobicContact CE1-CG 3.9Å; F57-L63 HydrophobicContact CE2-CD2 3.76Å; F57-L63 HydrophobicContact CG-CD2 4.08Å; F57-L63 HydrophobicContact CZ-CD2 3.71Å; F57-L63 HydrophobicContact CZ-CG 4.1Å
58	S	88.1	Confident	82.8	Confident	10 Å²	10	77.4 Å²	77.4	7%	0.07	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-72.6	162.2	167.3	88.3	0	0	0	0	111.1	E60 G61 R62 F64	S58-E60 VanDerWaalsContact CB-OE2 3.28Å; S58-E60 WeakPolarHBondContact CB-OE2 3.3Å; S58-E60 PolarHBondContact O-N 3.18Å; S58-E60 VanDerWaalsContact O-N 3.11Å; S58-E60 PolarHBondContact OG-N 3.11Å; S58-E60 PolarHBondContact OG-OE2 3.33Å; S58-G61 PolarHBondContact O-N 3.05Å; S58-R62 PolarHBondContact N-O 3.02Å; S58-R62 PolarHBondContact OG-N 2.78Å; S58-F64 VanDerWaalsContact CB-CZ 3.48Å
59	P	88.6	Confident	84.6	Confident	119 Å²	119	75.2 Å²	75.2	77%	0.773	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-25.3	172.2	-26	36	0	0	0	114	G61	P59-G61 VanDerWaalsContact C-N 3.3Å
60	E	89	Confident	86.6	Confident	126 Å²	126	72.8 Å²	72.8	59%	0.589	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-0.2	176.3	-54.7	71.4	-154.1	0	0	113.3	S58	S58-E60 VanDerWaalsContact CB-OE2 3.28Å; S58-E60 WeakPolarHBondContact CB-OE2 3.3Å; S58-E60 PolarHBondContact O-N 3.18Å; S58-E60 VanDerWaalsContact O-N 3.11Å; S58-E60 PolarHBondContact OG-N 3.11Å; S58-E60 PolarHBondContact OG-OE2 3.33Å
61	G	90.6	Very high	88.4	Confident	51 Å²	51	69.9 Å²	69.9	53%	0.526	35%	0.348	S	S	.	.	S	Bend	trans	82.7	20.4	177.4	0	0	0	0	0	114.9	S58 P59	S58-G61 PolarHBondContact O-N 3.05Å; P59-G61 VanDerWaalsContact C-N 3.3Å
62	R	90.5	Very high	89.7	Confident	118 Å²	118	68.6 Å²	68.6	45%	0.445	35%	0.345	S	S	.	.			trans	-105.2	146.5	177.4	-55.3	-162.5	-59.9	-89	0.9	111.4	F57 S58 F64 E67	F57-R62 CarbonylContact C-O 3.53Å; F57-R62 WeakPolarHBondContact CA-O 3.35Å; S58-R62 PolarHBondContact N-O 3.02Å; S58-R62 PolarHBondContact OG-N 2.78Å; R62-F64 PolarHBondContact O-N 3.13Å; R62-E67 HydrophobicContact CB-CG 4.05Å; R62-E67 WeakPolarHBondContact CD-OE1 3.16Å; R62-E67 IonicContact CZ-OE2 3.96Å; R62-E67 IonicContact NE-OE1 3.96Å; R62-E67 PolarHBondContact NE-OE1 2.91Å; R62-E67 IonicContact NE-OE2 2.98Å; R62-E67 PolarHBondContact NE-OE2 3.01Å; R62-E67 IonicContact NH2-OE2 3.89Å; R62-E67 PolarHBondContact NH2-OE2 3.19Å; R62-E67 VanDerWaalsContact NH2-OE2 3.14Å
63	L	91.8	Very high	90.9	Very high	41 Å²	41	57.6 Å²	57.6	22%	0.215	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-76	122.2	176.4	-75.3	173.6	0	0	0	110.5	F57 Q65 V66 E67 F165	F57-L63 HydrophobicContact CD1-CD2 4.03Å; F57-L63 HydrophobicContact CD1-CG 4.26Å; F57-L63 HydrophobicContact CD2-CD2 3.95Å; F57-L63 HydrophobicContact CE1-CD2 3.85Å; F57-L63 HydrophobicContact CE1-CG 3.9Å; F57-L63 HydrophobicContact CE2-CD2 3.76Å; F57-L63 HydrophobicContact CG-CD2 4.08Å; F57-L63 HydrophobicContact CZ-CD2 3.71Å; F57-L63 HydrophobicContact CZ-CG 4.1Å; L63-Q65 VanDerWaalsContact C-N 3.33Å; L63-Q65 PolarHBondContact O-N 3.48Å; L63-V66 HydrophobicContact CB-CB 4.15Å; L63-V66 HydrophobicContact CB-CG2 3.9Å; L63-V66 HydrophobicContact CD1-CG2 4.18Å; L63-V66 PolarHBondContact O-N 3.12Å; L63-V66 VanDerWaalsContact O-N 3.16Å; L63-E67 WeakPolarHBondContact O-CG 3.29Å; L63-E67 PolarHBondContact O-N 2.91Å; L63-E67 VanDerWaalsContact O-N 3.11Å; L63-F165 HydrophobicContact CD1-CZ 4.27Å
64	F	91.9	Very high	91.5	Very high	41 Å²	41	60.3 Å²	60.3	18%	0.18	31%	0.311	C	S	.	.	H	α-helix	trans	-57.6	-43.8	-177.1	-78.9	-62.2	0	0	0	112.9	T56 S58 R62 V66 E67 Y68	T56-F64 PolarHBondContact O-N 2.86Å; S58-F64 VanDerWaalsContact CB-CZ 3.48Å; R62-F64 PolarHBondContact O-N 3.13Å; F64-V66 VanDerWaalsContact C-N 3.28Å; F64-V66 PolarHBondContact O-N 2.93Å; F64-E67 PolarHBondContact O-N 2.94Å; F64-Y68 HydrophobicContact CB-CE2 4.02Å; F64-Y68 HydrophobicContact CD1-CE1 4.37Å; F64-Y68 WeakPolarHBondContact O-CD1 3.39Å; F64-Y68 WeakPolarHBondContact O-CD2 3.5Å; F64-Y68 PolarHBondContact O-N 2.82Å
65	Q	92.3	Very high	91.9	Very high	46 Å²	46	65.8 Å²	65.8	22%	0.215	34%	0.339	C	S	.	.	H	α-helix	trans	-63.6	-34	-178.7	-64.9	-57.8	-42.3	0	0	112.8	V54 L63 A69 P178	V54-Q65 HydrophobicContact CG1-CG 4.33Å; V54-Q65 WeakPolarHBondContact O-CG 3.42Å; L63-Q65 VanDerWaalsContact C-N 3.33Å; L63-Q65 PolarHBondContact O-N 3.48Å; Q65-A69 WeakPolarHBondContact O-CB 3.04Å; Q65-A69 PolarHBondContact O-N 2.93Å; Q65-P178 HydrophobicContact CB-CG 4.03Å; Q65-P178 WeakPolarHBondContact O-CG 3.41Å
66	V	93.8	Very high	92.3	Very high	12 Å²	12	62.3 Å²	62.3	7%	0.073	32%	0.322	C	S	.	.	H	α-helix	trans	-70.9	-43.8	176.5	176.8	0	0	0	0	110.4	L63 F64 Y68 A69 I70 F165	L63-V66 HydrophobicContact CB-CB 4.15Å; L63-V66 HydrophobicContact CB-CG2 3.9Å; L63-V66 HydrophobicContact CD1-CG2 4.18Å; L63-V66 PolarHBondContact O-N 3.12Å; L63-V66 VanDerWaalsContact O-N 3.16Å; F64-V66 VanDerWaalsContact C-N 3.28Å; F64-V66 PolarHBondContact O-N 2.93Å; V66-Y68 VanDerWaalsContact C-N 3.3Å; V66-Y68 PolarHBondContact O-N 2.87Å; V66-A69 PolarHBondContact O-N 3.24Å; V66-I70 HydrophobicContact CG1-CD1 4.02Å; V66-I70 WeakPolarHBondContact O-CG1 3.45Å; V66-I70 PolarHBondContact O-N 3.24Å; V66-F165 HydrophobicContact CG2-CE1 4.16Å; V66-F165 HydrophobicContact CG2-CE2 4.47Å; V66-F165 HydrophobicContact CG2-CZ 3.58Å
67	E	93.9	Very high	92.6	Very high	58 Å²	58	60.5 Å²	60.5	27%	0.271	31%	0.311	S	S	.	.	H	α-helix	trans	-60.2	-42.4	176	-62.9	-76	118.9	0	0	111.2	R62 L63 F64 A69 I70 E71	R62-E67 HydrophobicContact CB-CG 4.05Å; R62-E67 WeakPolarHBondContact CD-OE1 3.16Å; R62-E67 IonicContact CZ-OE2 3.96Å; R62-E67 IonicContact NE-OE1 3.96Å; R62-E67 PolarHBondContact NE-OE1 2.91Å; R62-E67 IonicContact NE-OE2 2.98Å; R62-E67 PolarHBondContact NE-OE2 3.01Å; R62-E67 IonicContact NH2-OE2 3.89Å; R62-E67 PolarHBondContact NH2-OE2 3.19Å; R62-E67 VanDerWaalsContact NH2-OE2 3.14Å; L63-E67 WeakPolarHBondContact O-CG 3.29Å; L63-E67 PolarHBondContact O-N 2.91Å; L63-E67 VanDerWaalsContact O-N 3.11Å; F64-E67 PolarHBondContact O-N 2.94Å; E67-A69 VanDerWaalsContact C-N 3.34Å; E67-A69 PolarHBondContact O-N 3.03Å; E67-I70 PolarHBondContact O-N 2.76Å; E67-E71 PolarHBondContact O-N 3.37Å
68	Y	93.9	Very high	92.9	Very high	96 Å²	96	54.4 Å²	54.4	38%	0.376	28%	0.284	S	S	.	.	H	α-helix	trans	-63.7	-39.2	176.3	-60.1	-20.6	0	0	0	112.2	D51 F64 V66 E71 A72	D51-Y68 HydrophobicContact CB-CE2 4.23Å; F64-Y68 HydrophobicContact CB-CE2 4.02Å; F64-Y68 HydrophobicContact CD1-CE1 4.37Å; F64-Y68 WeakPolarHBondContact O-CD1 3.39Å; F64-Y68 WeakPolarHBondContact O-CD2 3.5Å; F64-Y68 PolarHBondContact O-N 2.82Å; V66-Y68 VanDerWaalsContact C-N 3.3Å; V66-Y68 PolarHBondContact O-N 2.87Å; Y68-E71 PolarHBondContact O-N 3.34Å; Y68-A72 PolarHBondContact O-N 3.26Å
69	A	95.1	Very high	93.4	Very high	8 Å²	8	53.9 Å²	53.9	7%	0.066	28%	0.281	C	S	.	.	H	α-helix	trans	-66.1	-37.2	174.9	0	0	0	0	0	112.2	Q65 V66 E67 A72 I73 P178 P200	Q65-A69 WeakPolarHBondContact O-CB 3.04Å; Q65-A69 PolarHBondContact O-N 2.93Å; V66-A69 PolarHBondContact O-N 3.24Å; E67-A69 VanDerWaalsContact C-N 3.34Å; E67-A69 PolarHBondContact O-N 3.03Å; A69-A72 WeakPolarHBondContact O-CB 3.41Å; A69-A72 PolarHBondContact O-N 3.45Å; A69-I73 PolarHBondContact O-N 3.13Å; A69-P178 HydrophobicContact CB-CB 4.35Å; A69-P178 HydrophobicContact CB-CG 4Å; A69-P200 HydrophobicContact CB-CB 3.61Å; A69-P200 HydrophobicContact CB-CG 3.93Å
70	I	94.7	Very high	93.9	Very high	52 Å²	52	48.2 Å²	48.2	27%	0.267	24%	0.244	S	C	.	.	H	α-helix	trans	-64	-43.4	174	-69.3	167.8	0	0	0	111	V66 E67 A72 I73	V66-I70 HydrophobicContact CG1-CD1 4.02Å; V66-I70 WeakPolarHBondContact O-CG1 3.45Å; V66-I70 PolarHBondContact O-N 3.24Å; E67-I70 PolarHBondContact O-N 2.76Å; I70-A72 VanDerWaalsContact C-N 3.3Å; I70-A72 PolarHBondContact O-N 3.36Å; I70-I73 WeakPolarHBondContact O-CB 3.29Å; I70-I73 PolarHBondContact O-N 2.9Å
71	E	93.9	Very high	94.4	Very high	99 Å²	99	42.2 Å²	42.2	46%	0.463	22%	0.216	S	C	.	.	H	α-helix	trans	-65.1	-33.7	175.1	-68.1	-55.8	131.6	0	0	112.2	E67 Y68 I73 K74	E67-E71 PolarHBondContact O-N 3.37Å; Y68-E71 PolarHBondContact O-N 3.34Å; E71-I73 PolarHBondContact O-N 2.9Å; E71-K74 WeakPolarHBondContact O-CB 3.13Å; E71-K74 PolarHBondContact O-N 3.48Å; E71-K74 VanDerWaalsContact O-N 3.09Å; E71-K74 WeakPolarHBondContact OE1-CE 3.12Å; E71-K74 IonicContact OE1-NZ 3.14Å; E71-K74 PolarHBondContact OE1-NZ 3.47Å; E71-K74 WeakPolarHBondContact OE2-CD 3.48Å; E71-K74 IonicContact OE2-NZ 3.15Å; E71-K74 PolarHBondContact OE2-NZ 2.95Å
72	A	93.1	Very high	94.8	Very high	28 Å²	28	39.9 Å²	39.9	23%	0.231	19%	0.192	C	C	.	.	H	α-helix	trans	-62.3	-29.6	175.4	0	0	0	0	0	112.9	Y68 A69 I70 K74 L75	Y68-A72 PolarHBondContact O-N 3.26Å; A69-A72 WeakPolarHBondContact O-CB 3.41Å; A69-A72 PolarHBondContact O-N 3.45Å; I70-A72 VanDerWaalsContact C-N 3.3Å; I70-A72 PolarHBondContact O-N 3.36Å; A72-K74 VanDerWaalsContact C-N 3.27Å; A72-K74 PolarHBondContact O-N 3.24Å; A72-L75 WeakPolarHBondContact O-CB 3.39Å; A72-L75 PolarHBondContact O-N 2.96Å; A72-L75 VanDerWaalsContact O-N 3.11Å
73	I	95.9	Very high	95.2	Very high	14 Å²	14	35.9 Å²	35.9	7%	0.072	18%	0.178	C	C	.	.	H	α-helix	trans	-63.7	-34.7	175.5	-66.1	161.8	0	0	0	111.3	A69 I70 E71 L75 G76 A182 P200 G213	A69-I73 PolarHBondContact O-N 3.13Å; I70-I73 WeakPolarHBondContact O-CB 3.29Å; I70-I73 PolarHBondContact O-N 2.9Å; E71-I73 PolarHBondContact O-N 2.9Å; I73-L75 PolarHBondContact O-N 3.24Å; I73-L75 VanDerWaalsContact O-N 3.07Å; I73-G76 WeakPolarHBondContact O-CA 3.12Å; I73-G76 PolarHBondContact O-N 2.9Å; I73-A182 HydrophobicContact CD1-CB 3.57Å; I73-A182 HydrophobicContact CG1-CB 4.14Å; I73-A182 HydrophobicContact CG2-CB 3.89Å; I73-P200 HydrophobicContact CD1-CG 3.48Å; I73-P200 VanDerWaalsContact CD1-CG 3.48Å; I73-P200 HydrophobicContact CG1-CG 4.35Å; I73-G213 WeakPolarHBondContact O-CA 3.16Å
74	K	93.9	Very high	95.5	Very high	76 Å²	76	34 Å²	34	33%	0.33	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-6.2	177.1	-58.9	-178.5	-173.7	163.5	0	113.1	E71 A72 S214	E71-K74 WeakPolarHBondContact O-CB 3.13Å; E71-K74 PolarHBondContact O-N 3.48Å; E71-K74 VanDerWaalsContact O-N 3.09Å; E71-K74 WeakPolarHBondContact OE1-CE 3.12Å; E71-K74 IonicContact OE1-NZ 3.14Å; E71-K74 PolarHBondContact OE1-NZ 3.47Å; E71-K74 WeakPolarHBondContact OE2-CD 3.48Å; E71-K74 IonicContact OE2-NZ 3.15Å; E71-K74 PolarHBondContact OE2-NZ 2.95Å; A72-K74 VanDerWaalsContact C-N 3.27Å; A72-K74 PolarHBondContact O-N 3.24Å; K74-S214 WeakPolarHBondContact O-CA 3.45Å; K74-S214 WeakPolarHBondContact O-CB 3.49Å
75	L	93.2	Very high	95.7	Very high	136 Å²	136	36.1 Å²	36.1	71%	0.712	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-13.7	170.4	-55.7	178.1	0	0	0	112.2	A72 I73 R95	A72-L75 WeakPolarHBondContact O-CB 3.39Å; A72-L75 PolarHBondContact O-N 2.96Å; A72-L75 VanDerWaalsContact O-N 3.11Å; I73-L75 PolarHBondContact O-N 3.24Å; I73-L75 VanDerWaalsContact O-N 3.07Å; L75-R95 PolarHBondContact O-NH1 3.19Å; L75-R95 VanDerWaalsContact O-NH1 3.14Å
76	G	94.6	Very high	96	Very high	6 Å²	6	38.2 Å²	38.2	6%	0.062	20%	0.198	C	C	.	.	S	Bend	trans	-69.1	162.6	179	0	0	0	0	0	114	I73 R95 S214	I73-G76 WeakPolarHBondContact O-CA 3.12Å; I73-G76 PolarHBondContact O-N 2.9Å; G76-R95 PolarHBondContact O-NH2 2.9Å; G76-S214 WeakPolarHBondContact O-CB 3.08Å; G76-S214 PolarHBondContact O-N 2.92Å; G76-S214 PolarHBondContact O-OG 2.92Å
77	S	95.3	Very high	96.2	Very high	5 Å²	5	37.7 Å²	37.7	4%	0.035	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-66.1	146.9	171.6	51	0	0	0	0	111.1	A79 E93 K108 S121	S77-A79 PolarHBondContact O-N 3.36Å; S77-E93 VanDerWaalsContact CB-O 3.23Å; S77-E93 WeakPolarHBondContact CB-O 3.45Å; S77-E93 PolarHBondContact OG-O 3.41Å; S77-K108 WeakPolarHBondContact OG-CE 3.23Å; S77-K108 PolarHBondContact OG-NZ 2.95Å; S77-S121 WeakPolarHBondContact O-CB 3.36Å; S77-S121 PolarHBondContact O-OG 2.94Å
78	T	97.8	Very high	96.4	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-72.8	131.4	-174.8	-50.8	0	0	0	0	110.8	E93 I212 A215 A219 L244 V247	T78-E93 PolarHBondContact N-OE2 3.48Å; T78-E93 VanDerWaalsContact N-OE2 3.15Å; T78-E93 WeakPolarHBondContact O-CB 3.45Å; T78-E93 PolarHBondContact O-N 3.35Å; T78-E93 PolarHBondContact OG1-OE2 2.69Å; T78-I212 WeakPolarHBondContact CA-O 3.28Å; T78-A215 HydrophobicContact CG2-CB 4.36Å; T78-A215 WeakPolarHBondContact OG1-CB 3.23Å; T78-A215 PolarHBondContact OG1-N 3.28Å; T78-A219 HydrophobicContact CG2-CB 4.47Å; T78-L244 HydrophobicContact CG2-CD2 4.01Å; T78-V247 HydrophobicContact CG2-CG2 4.19Å
79	A	98.4	Very high	96.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	140.5	174.6	0	0	0	0	0	110	S77 A91 V92 A119 L184 A211 I212	S77-A79 PolarHBondContact O-N 3.36Å; A79-A91 CarbonylContact C-O 3.54Å; A79-A91 WeakPolarHBondContact CA-O 3.45Å; A79-V92 HydrophobicContact CB-CB 4.3Å; A79-V92 HydrophobicContact CB-CG1 3.96Å; A79-V92 HydrophobicContact CB-CG2 3.67Å; A79-A119 HydrophobicContact CB-CB 4.45Å; A79-L184 HydrophobicContact CB-CD1 4.46Å; A79-A211 CarbonylContact O-C 3.48Å; A79-A211 VanDerWaalsContact O-CA 3.32Å; A79-A211 WeakPolarHBondContact O-CA 3.09Å; A79-I212 HydrophobicContact CB-CD1 4.29Å; A79-I212 HydrophobicContact CB-CG1 3.78Å; A79-I212 PolarHBondContact N-O 3.36Å; A79-I212 PolarHBondContact O-N 3.21Å
80	I	98.8	Very high	96.8	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	129.9	-178.5	-62.7	180	0	0	0	108.7	I82 L90 A91 R210 A211 A219 L223 I243 L244	I80-I82 HydrophobicContact CG2-CD1 4.27Å; I80-I82 HydrophobicContact CG2-CG1 3.98Å; I80-L90 WeakPolarHBondContact O-CA 3.47Å; I80-A91 PolarHBondContact N-O 3.04Å; I80-A91 PolarHBondContact O-N 3.39Å; I80-R210 WeakPolarHBondContact CA-O 3.49Å; I80-A211 HydrophobicContact CG1-CB 4.18Å; I80-A219 HydrophobicContact CD1-CB 4.13Å; I80-L223 HydrophobicContact CG2-CD1 4.07Å; I80-L223 HydrophobicContact CG2-CD2 4.11Å; I80-I243 HydrophobicContact CD1-CB 3.88Å; I80-I243 HydrophobicContact CD1-CG2 3.53Å; I80-L244 HydrophobicContact CD1-CD2 3.95Å; I80-L244 HydrophobicContact CD1-CG 3.93Å; I80-L244 HydrophobicContact CG1-CD2 4.23Å
81	G	98.8	Very high	97	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	136.6	169.5	0	0	0	0	0	110.7	C89 L195 A209 R210	G81-C89 WeakPolarHBondContact CA-O 3.5Å; G81-L195 VanDerWaalsContact C-CD2 3.43Å; G81-L195 WeakPolarHBondContact O-CD2 3.29Å; G81-A209 CarbonylContact O-C 3.58Å; G81-A209 VanDerWaalsContact O-CA 3.27Å; G81-A209 WeakPolarHBondContact O-CA 3.41Å; G81-R210 PolarHBondContact N-O 3.41Å; G81-R210 PolarHBondContact O-N 3.18Å
82	I	98.8	Very high	97.2	Very high	2 Å²	2	23 Å²	23	1%	0.01	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	124.2	175.8	-54.5	178.8	0	0	0	109.1	I80 T84 V88 C89 A209 L223 Y227 A236	I80-I82 HydrophobicContact CG2-CD1 4.27Å; I80-I82 HydrophobicContact CG2-CG1 3.98Å; I82-T84 HydrophobicContact CG2-CG2 4.33Å; I82-V88 WeakPolarHBondContact O-CA 3.33Å; I82-C89 PolarHBondContact N-O 3.3Å; I82-C89 PolarHBondContact O-N 3.44Å; I82-A209 HydrophobicContact CG1-CB 4.24Å; I82-A209 HydrophobicContact CG2-CB 4.41Å; I82-L223 HydrophobicContact CD1-CD2 3.71Å; I82-L223 HydrophobicContact CG1-CD2 3.96Å; I82-Y227 HydrophobicContact CG2-CD2 4.04Å; I82-Y227 HydrophobicContact CG2-CE2 4.05Å; I82-A236 HydrophobicContact CB-CB 4.18Å; I82-A236 HydrophobicContact CD1-CB 4.42Å; I82-A236 HydrophobicContact CG2-CB 3.78Å
83	Q	98.5	Very high	97.3	Very high	34 Å²	34	22.3 Å²	22.3	16%	0.159	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	133.3	172.3	-179.7	-84.9	-39.5	0	0	110.2	V88 P193 L195 D208 Y227	Q83-V88 HydrophobicContact CB-CG2 4.41Å; Q83-V88 HydrophobicContact CG-CG2 4.27Å; Q83-P193 HydrophobicContact CG-CB 4.27Å; Q83-P193 WeakPolarHBondContact CG-O 3.44Å; Q83-P193 PolarHBondContact NE2-O 3.39Å; Q83-L195 HydrophobicContact CB-CB 3.94Å; Q83-D208 WeakPolarHBondContact CB-O 3.33Å; Q83-D208 PolarHBondContact N-O 3.23Å; Q83-Y227 WeakPolarHBondContact O-CE2 3.38Å; Q83-Y227 PolarHBondContact O-OH 3.14Å
84	T	98.6	Very high	97.3	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.012	12%	0.118	C	C	.	.			trans	-128.3	169.9	174.7	71	0	0	0	0	109.7	I82 E86 G87 P193 M231 A236	I82-T84 HydrophobicContact CG2-CG2 4.33Å; T84-E86 PolarHBondContact O-N 3.34Å; T84-E86 PolarHBondContact OG1-N 3.23Å; T84-G87 WeakPolarHBondContact CA-O 3.17Å; T84-G87 PolarHBondContact N-O 2.75Å; T84-G87 PolarHBondContact O-N 3.36Å; T84-G87 PolarHBondContact OG1-N 3.34Å; T84-G87 VanDerWaalsContact OG1-N 3.1Å; T84-G87 PolarHBondContact OG1-O 3.37Å; T84-P193 WeakPolarHBondContact O-CB 3.45Å; T84-P193 WeakPolarHBondContact O-CG 3.43Å; T84-M231 WeakPolarHBondContact CB-O 3.48Å; T84-M231 HydrophobicContact CG2-CB 4.44Å; T84-A236 HydrophobicContact CG2-CB 3.58Å
85	S	97.4	Very high	97.1	Very high	84 Å²	84	22.9 Å²	22.9	59%	0.587	12%	0.118	S	C	*	.	S	Bend	trans	-66.6	-20.4	172.1	55.3	0	0	0	0	113.5
86	E	98.1	Very high	96.9	Very high	91 Å²	91	17.6 Å²	17.6	43%	0.425	9%	0.091	S	C	.	.	S	Bend	trans	-91.6	-17.7	-178.3	-67.3	178.2	177.8	0	0	112.8	T84 T232 L233 P264	T84-E86 PolarHBondContact O-N 3.34Å; T84-E86 PolarHBondContact OG1-N 3.23Å; E86-T232 WeakPolarHBondContact OE2-CA 3.43Å; E86-T232 WeakPolarHBondContact OE2-CB 3.43Å; E86-L233 HydrophobicContact CB-CB 3.9Å; E86-L233 PolarHBondContact OE2-N 3.4Å; E86-P264 WeakPolarHBondContact O-CD 3.41Å
87	G	98.2	Very high	96.6	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.124	C	C	.	.			trans	158.7	-174.5	-175.8	0	0	0	0	0	113	T84 V262	T84-G87 WeakPolarHBondContact CA-O 3.17Å; T84-G87 PolarHBondContact N-O 2.75Å; T84-G87 PolarHBondContact O-N 3.36Å; T84-G87 PolarHBondContact OG1-N 3.34Å; T84-G87 VanDerWaalsContact OG1-N 3.1Å; T84-G87 PolarHBondContact OG1-O 3.37Å; G87-V262 CarbonylContact C-O 3.54Å; G87-V262 WeakPolarHBondContact CA-O 3.18Å
88	V	98.6	Very high	96.3	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.012	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	137.9	175.4	-174.5	0	0	0	0	109.7	I82 Q83 P193 Q194 L195 T261 V262	I82-V88 WeakPolarHBondContact O-CA 3.33Å; Q83-V88 HydrophobicContact CB-CG2 4.41Å; Q83-V88 HydrophobicContact CG-CG2 4.27Å; V88-P193 HydrophobicContact CG2-CB 3.83Å; V88-Q194 WeakPolarHBondContact CG2-O 3.46Å; V88-L195 HydrophobicContact CG1-CB 4.35Å; V88-L195 HydrophobicContact CG1-CD1 4.21Å; V88-T261 VanDerWaalsContact O-CA 3.23Å; V88-T261 WeakPolarHBondContact O-CA 3.3Å; V88-V262 PolarHBondContact N-O 2.84Å; V88-V262 PolarHBondContact O-N 3.04Å
89	C	98.4	Very high	95.9	Very high	1 Å²	1	31 Å²	31	1%	0.007	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	132.7	172.4	173.1	0	0	0	0	109.4	G81 I82 L233 I237 L259	G81-C89 WeakPolarHBondContact CA-O 3.5Å; I82-C89 PolarHBondContact N-O 3.3Å; I82-C89 PolarHBondContact O-N 3.44Å; C89-L233 HydrophobicContact CB-CD1 4.06Å; C89-I237 HydrophobicContact CB-CG1 4.23Å; C89-L259 WeakPolarHBondContact SG-CD1 3.43Å
90	L	98.8	Very high	95.7	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.016	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	120.7	170.2	-63.3	175.6	0	0	0	108.3	I80 I109 A119 L184 L195 L259 A260	I80-L90 WeakPolarHBondContact O-CA 3.47Å; L90-I109 HydrophobicContact CB-CD1 4.07Å; L90-I109 HydrophobicContact CD1-CG2 4.26Å; L90-I109 VanDerWaalsContact O-CD1 3.25Å; L90-I109 WeakPolarHBondContact O-CD1 3.48Å; L90-A119 HydrophobicContact CB-CB 4.35Å; L90-A119 HydrophobicContact CD1-CB 4.31Å; L90-A119 HydrophobicContact CD2-CB 4.28Å; L90-L184 HydrophobicContact CD2-CB 4.16Å; L90-L195 HydrophobicContact CD2-CD1 3.95Å; L90-L259 CarbonylContact O-C 3.56Å; L90-L259 WeakPolarHBondContact O-CA 3.23Å; L90-A260 PolarHBondContact N-O 3.44Å; L90-A260 PolarHBondContact O-N 3.17Å
91	A	98.5	Very high	95.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	129.8	178.9	0	0	0	0	0	110.1	A79 I80 L241 L244 E258 L259	A79-A91 CarbonylContact C-O 3.54Å; A79-A91 WeakPolarHBondContact CA-O 3.45Å; I80-A91 PolarHBondContact N-O 3.04Å; I80-A91 PolarHBondContact O-N 3.39Å; A91-L241 HydrophobicContact CB-CD2 4.33Å; A91-L244 HydrophobicContact CB-CD1 3.79Å; A91-E258 CarbonylContact C-O 3.59Å; A91-E258 WeakPolarHBondContact CA-O 3.4Å; A91-L259 HydrophobicContact CB-CD1 3.85Å
92	V	98.1	Very high	94.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	137.2	-174.5	-170.5	0	0	0	0	111.6	A79 K108 I109 A119 I257 E258	A79-V92 HydrophobicContact CB-CB 4.3Å; A79-V92 HydrophobicContact CB-CG1 3.96Å; A79-V92 HydrophobicContact CB-CG2 3.67Å; V92-K108 HydrophobicContact CB-CB 4.08Å; V92-K108 HydrophobicContact CG1-CB 3.53Å; V92-K108 HydrophobicContact CG1-CG 4.07Å; V92-I109 HydrophobicContact CB-CD1 4.47Å; V92-I109 HydrophobicContact CB-CG1 4.19Å; V92-I109 HydrophobicContact CG2-CD1 3.86Å; V92-I109 HydrophobicContact CG2-CG1 3.46Å; V92-I109 VanDerWaalsContact CG2-CG1 3.46Å; V92-A119 HydrophobicContact CG2-CB 3.67Å; V92-I257 CarbonylContact O-C 3.55Å; V92-I257 VanDerWaalsContact O-CA 3.22Å; V92-I257 WeakPolarHBondContact O-CA 3.48Å; V92-E258 PolarHBondContact N-O 2.88Å; V92-E258 PolarHBondContact O-N 3.16Å
93	E	95.9	Very high	94.4	Very high	12 Å²	12	48.8 Å²	48.8	6%	0.056	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	134	168.7	177	-162.5	169.6	0	0	110.9	S77 T78 R95 M248	S77-E93 VanDerWaalsContact CB-O 3.23Å; S77-E93 WeakPolarHBondContact CB-O 3.45Å; S77-E93 PolarHBondContact OG-O 3.41Å; T78-E93 PolarHBondContact N-OE2 3.48Å; T78-E93 VanDerWaalsContact N-OE2 3.15Å; T78-E93 WeakPolarHBondContact O-CB 3.45Å; T78-E93 PolarHBondContact O-N 3.35Å; T78-E93 PolarHBondContact OG1-OE2 2.69Å; E93-R95 HydrophobicContact CG-CG 4.46Å; E93-R95 VanDerWaalsContact OE1-CG 3.28Å; E93-R95 WeakPolarHBondContact OE1-CG 3.27Å; E93-R95 IonicContact OE1-NE 2.79Å; E93-R95 PolarHBondContact OE1-NE 2.9Å; E93-R95 VanDerWaalsContact OE1-NE 3.15Å; E93-R95 IonicContact OE1-NH2 2.63Å; E93-R95 IonicContact OE2-NE 3.65Å; E93-R95 IonicContact OE2-NH2 2.69Å; E93-M248 HydrophobicContact CB-CG 4.3Å; E93-M248 HydrophobicContact CB-SD 4.39Å; E93-M248 HydrophobicContact CG-CE 4.06Å; E93-M248 HydrophobicContact CG-CG 3.91Å; E93-M248 HydrophobicContact CG-SD 4.22Å
94	K	94.1	Very high	93.9	Very high	12 Å²	12	52.9 Å²	52.9	5%	0.052	29%	0.289	C	S	.	.			trans	-104.5	117	166.4	-66.2	-161.5	-78.3	-161.2	0	110.7	I96 P103 I106 K108 T255 N256 E258	K94-I96 PolarHBondContact O-N 2.89Å; K94-P103 PolarHBondContact NZ-O 3.41Å; K94-P103 VanDerWaalsContact NZ-O 3.1Å; K94-I106 HydrophobicContact CD-CB 4.42Å; K94-I106 HydrophobicContact CD-CG2 4.49Å; K94-I106 WeakPolarHBondContact CD-O 3.41Å; K94-K108 HydrophobicContact CG-CG 4.46Å; K94-T255 VanDerWaalsContact CE-O 3.29Å; K94-T255 WeakPolarHBondContact CE-O 3.46Å; K94-N256 PolarHBondContact N-O 2.84Å; K94-E258 HydrophobicContact CD-CG 3.66Å; K94-E258 WeakPolarHBondContact CD-OE1 3.36Å; K94-E258 HydrophobicContact CG-CG 4.03Å; K94-E258 IonicContact NZ-OE1 2.94Å; K94-E258 PolarHBondContact NZ-OE1 3.48Å
95	R	89.8	Confident	93.4	Very high	90 Å²	90	56.9 Å²	56.9	34%	0.34	32%	0.318	S	S	.	.			trans	-83.5	97.3	172.8	-68.9	-171.7	-173.9	150.3	11.6	110.9	L75 G76 E93 S214	L75-R95 PolarHBondContact O-NH1 3.19Å; L75-R95 VanDerWaalsContact O-NH1 3.14Å; G76-R95 PolarHBondContact O-NH2 2.9Å; E93-R95 HydrophobicContact CG-CG 4.46Å; E93-R95 VanDerWaalsContact OE1-CG 3.28Å; E93-R95 WeakPolarHBondContact OE1-CG 3.27Å; E93-R95 IonicContact OE1-NE 2.79Å; E93-R95 PolarHBondContact OE1-NE 2.9Å; E93-R95 VanDerWaalsContact OE1-NE 3.15Å; E93-R95 IonicContact OE1-NH2 2.63Å; E93-R95 IonicContact OE2-NE 3.65Å; E93-R95 IonicContact OE2-NH2 2.69Å; R95-S214 PolarHBondContact NH2-OG 3.2Å
96	I	89.3	Confident	93.1	Very high	26 Å²	26	54.3 Å²	54.3	13%	0.133	30%	0.297	C	S	.	.			trans	-92.7	98.9	175.8	-58.8	167.2	0	0	0	107.7	K94 S98 M101 P103 T255 N256	K94-I96 PolarHBondContact O-N 2.89Å; I96-S98 VanDerWaalsContact C-N 3.28Å; I96-S98 WeakPolarHBondContact CG2-O 3.28Å; I96-S98 PolarHBondContact O-N 2.93Å; I96-M101 HydrophobicContact CG2-CB 4.27Å; I96-P103 HydrophobicContact CD1-CB 3.79Å; I96-P103 HydrophobicContact CD1-CG 3.91Å; I96-T255 VanDerWaalsContact CD1-O 3.31Å; I96-T255 WeakPolarHBondContact CD1-O 3.44Å; I96-N256 HydrophobicContact CD1-CB 4.38Å
97	T	87.8	Confident	92.7	Very high	123 Å²	123	55.6 Å²	55.6	76%	0.755	30%	0.303	S	S	*	.			trans	-78.7	-11.3	-174	57.9	0	0	0	0	114.1	M101	T97-M101 PolarHBondContact OG1-SD 3.26Å; T97-M101 VanDerWaalsContact OG1-SD 3.36Å
98	S	90.3	Very high	92.7	Very high	40 Å²	40	56.8 Å²	56.8	28%	0.28	31%	0.308	S	S	.	.			trans	-149.6	140.8	-179.3	178.2	0	0	0	0	111.1	I96 L100 M101	I96-S98 VanDerWaalsContact C-N 3.28Å; I96-S98 WeakPolarHBondContact CG2-O 3.28Å; I96-S98 PolarHBondContact O-N 2.93Å; S98-L100 PolarHBondContact O-N 3.47Å; S98-L100 VanDerWaalsContact O-N 3.07Å; S98-L100 PolarHBondContact OG-N 2.91Å; S98-M101 WeakPolarHBondContact O-CB 3.34Å; S98-M101 PolarHBondContact O-N 2.85Å
99	P	88.3	Confident	92.6	Very high	130 Å²	130	56.8 Å²	56.8	84%	0.844	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-9.6	173.2	29	-37	0	0	0	113.4	M101	P99-M101 VanDerWaalsContact C-N 3.34Å
100	L	94	Very high	92.6	Very high	162 Å²	162	57.2 Å²	57.2	85%	0.848	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-6.2	175.2	-57.4	179.2	0	0	0	113	S98	S98-L100 PolarHBondContact O-N 3.47Å; S98-L100 VanDerWaalsContact O-N 3.07Å; S98-L100 PolarHBondContact OG-N 2.91Å
101	M	91.8	Very high	92.6	Very high	72 Å²	72	61.5 Å²	61.5	36%	0.355	33%	0.331	S	S	.	.	S	Bend	trans	-84.2	132.2	175.6	-67	-178.7	78.5	0	0	110	I96 T97 S98 P99 P103 I106	I96-M101 HydrophobicContact CG2-CB 4.27Å; T97-M101 PolarHBondContact OG1-SD 3.26Å; T97-M101 VanDerWaalsContact OG1-SD 3.36Å; S98-M101 WeakPolarHBondContact O-CB 3.34Å; S98-M101 PolarHBondContact O-N 2.85Å; P99-M101 VanDerWaalsContact C-N 3.34Å; M101-P103 WeakPolarHBondContact O-CD 3.46Å; M101-I106 HydrophobicContact CE-CD1 3.64Å; M101-I106 HydrophobicContact CE-CG1 4.39Å
102	E	90.8	Very high	92.6	Very high	110 Å²	110	61.9 Å²	61.9	51%	0.514	33%	0.332	S	S	.	.			trans	-74	111.7	172.3	179.7	53.5	-132.3	0	0	109.6	N104 S105	E102-N104 HydrophobicContact CG-CB 4.37Å; E102-N104 PolarHBondContact O-N 3.23Å; E102-N104 PolarHBondContact OE1-ND2 3.33Å; E102-S105 WeakPolarHBondContact O-CB 3.44Å; E102-S105 PolarHBondContact O-N 3.49Å; E102-S105 PolarHBondContact O-OG 2.88Å
103	P	87.6	Confident	92.6	Very high	30 Å²	30	62.9 Å²	62.9	20%	0.195	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-62.8	-26.7	-173.7	-25.1	37.3	0	0	0	114	K94 I96 M101 S105 I106	K94-P103 PolarHBondContact NZ-O 3.41Å; K94-P103 VanDerWaalsContact NZ-O 3.1Å; I96-P103 HydrophobicContact CD1-CB 3.79Å; I96-P103 HydrophobicContact CD1-CG 3.91Å; M101-P103 WeakPolarHBondContact O-CD 3.46Å; P103-S105 VanDerWaalsContact C-N 3.26Å; P103-S105 PolarHBondContact O-N 2.7Å; P103-I106 PolarHBondContact O-N 2.92Å
104	N	87.3	Confident	92.7	Very high	120 Å²	120	64.7 Å²	64.7	64%	0.642	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-75	-15.5	179.4	-62	-46.1	0	0	0	113	E102 I106	E102-N104 HydrophobicContact CG-CB 4.37Å; E102-N104 PolarHBondContact O-N 3.23Å; E102-N104 PolarHBondContact OE1-ND2 3.33Å; N104-I106 VanDerWaalsContact C-N 3.31Å
105	S	88.9	Confident	92.8	Very high	87 Å²	87	65 Å²	65	61%	0.608	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-81.2	-12.6	176.4	70.2	0	0	0	0	113.5	E102 P103	E102-S105 WeakPolarHBondContact O-CB 3.44Å; E102-S105 PolarHBondContact O-N 3.49Å; E102-S105 PolarHBondContact O-OG 2.88Å; P103-S105 VanDerWaalsContact C-N 3.26Å; P103-S105 PolarHBondContact O-N 2.7Å
106	I	90.1	Very high	93.3	Very high	30 Å²	30	60.7 Å²	60.7	15%	0.154	34%	0.337	C	S	.	.			trans	-102.2	95	-179.9	-52.4	173.3	0	0	0	107.7	K94 M101 P103 N104 K108 E258	K94-I106 HydrophobicContact CD-CB 4.42Å; K94-I106 HydrophobicContact CD-CG2 4.49Å; K94-I106 WeakPolarHBondContact CD-O 3.41Å; M101-I106 HydrophobicContact CE-CD1 3.64Å; M101-I106 HydrophobicContact CE-CG1 4.39Å; P103-I106 PolarHBondContact O-N 2.92Å; N104-I106 VanDerWaalsContact C-N 3.31Å; I106-K108 HydrophobicContact CG2-CG 4.47Å; I106-E258 VanDerWaalsContact O-OE1 3.07Å
107	E	91.1	Very high	93.7	Very high	118 Å²	118	59.4 Å²	59.4	55%	0.551	33%	0.331	S	S	*	.			trans	-96.3	130.1	175.5	-62.8	173.8	173.9	0	0	109.6
108	K	96.5	Very high	94.2	Very high	24 Å²	24	53.6 Å²	53.6	10%	0.104	30%	0.295	C	S	.	.	S	Bend	trans	-122.2	-19.4	177.1	-65.2	-70.1	-175.2	146.5	0	112.4	S77 V92 K94 I106 A119 M120 I124 E258	S77-K108 WeakPolarHBondContact OG-CE 3.23Å; S77-K108 PolarHBondContact OG-NZ 2.95Å; V92-K108 HydrophobicContact CB-CB 4.08Å; V92-K108 HydrophobicContact CG1-CB 3.53Å; V92-K108 HydrophobicContact CG1-CG 4.07Å; K94-K108 HydrophobicContact CG-CG 4.46Å; I106-K108 HydrophobicContact CG2-CG 4.47Å; K108-A119 WeakPolarHBondContact O-CA 3.1Å; K108-M120 HydrophobicContact CD-CG 4.48Å; K108-M120 WeakPolarHBondContact O-CG 3.42Å; K108-M120 PolarHBondContact O-N 2.9Å; K108-I124 HydrophobicContact CD-CD1 3.65Å; K108-I124 HydrophobicContact CD-CG1 4.32Å; K108-I124 VanDerWaalsContact NZ-CD1 3.32Å; K108-E258 WeakPolarHBondContact CA-OE2 3.44Å; K108-E258 PolarHBondContact N-OE2 2.78Å
109	I	98.2	Very high	94.6	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.01	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	132.9	165.1	-50.6	176.3	0	0	0	108.1	L90 V92 C118 A119 E258 A260 F268 M270	L90-I109 HydrophobicContact CB-CD1 4.07Å; L90-I109 HydrophobicContact CD1-CG2 4.26Å; L90-I109 VanDerWaalsContact O-CD1 3.25Å; L90-I109 WeakPolarHBondContact O-CD1 3.48Å; V92-I109 HydrophobicContact CB-CD1 4.47Å; V92-I109 HydrophobicContact CB-CG1 4.19Å; V92-I109 HydrophobicContact CG2-CD1 3.86Å; V92-I109 HydrophobicContact CG2-CG1 3.46Å; V92-I109 VanDerWaalsContact CG2-CG1 3.46Å; I109-C118 CarbonylContact C-O 3.39Å; I109-C118 WeakPolarHBondContact CA-O 3.49Å; I109-A119 HydrophobicContact CG1-CB 4.22Å; I109-E258 HydrophobicContact CD1-CB 3.8Å; I109-E258 HydrophobicContact CG1-CB 4.08Å; I109-E258 PolarHBondContact N-OE2 2.81Å; I109-A260 HydrophobicContact CD1-CB 4.12Å; I109-A260 HydrophobicContact CG2-CB 3.78Å; I109-F268 HydrophobicContact CG2-CE2 4.19Å; I109-F268 HydrophobicContact CG2-CZ 3.93Å; I109-M270 HydrophobicContact CB-CE 3.65Å; I109-M270 HydrophobicContact CB-SD 4.46Å; I109-M270 HydrophobicContact CG2-CE 3.92Å; I109-M270 VanDerWaalsContact O-CE 3.27Å; I109-M270 WeakPolarHBondContact O-CE 3.47Å
110	V	97.9	Very high	95.1	Very high	11 Å²	11	45.7 Å²	45.7	7%	0.067	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	147.7	178	-65.4	0	0	0	0	111	I112 G117 C118 M120 I131	V110-I112 HydrophobicContact CG2-CD1 3.93Å; V110-G117 CarbonylContact O-C 3.49Å; V110-G117 WeakPolarHBondContact O-CA 3.21Å; V110-C118 HydrophobicContact CG2-CB 4.06Å; V110-C118 PolarHBondContact N-O 2.85Å; V110-C118 PolarHBondContact O-N 2.88Å; V110-M120 HydrophobicContact CB-CE 4.47Å; V110-M120 HydrophobicContact CG1-CE 3.64Å; V110-M120 HydrophobicContact CG2-CE 4.06Å; V110-I131 HydrophobicContact CG1-CD1 4.45Å; V110-I131 HydrophobicContact CG2-CD1 3.62Å; V110-I131 HydrophobicContact CG2-CG1 3.83Å; V110-I131 HydrophobicContact CG2-CG2 3.88Å
111	E	98.4	Very high	95.2	Very high	93 Å²	93	38 Å²	38	44%	0.435	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	129.8	167	-171	-178.3	168.7	0	0	109.8	D113 R135 F268	E111-D113 WeakPolarHBondContact CG-O 3.36Å; E111-R135 PolarHBondContact O-NE 3.4Å; E111-R135 PolarHBondContact O-NH2 2.87Å; E111-F268 HydrophobicContact CB-CD1 3.77Å; E111-F268 HydrophobicContact CB-CE1 3.89Å; E111-F268 HydrophobicContact CB-CG 4.38Å; E111-F268 HydrophobicContact CG-CB 4.26Å; E111-F268 HydrophobicContact CG-CD1 3.82Å; E111-F268 HydrophobicContact CG-CE1 4.44Å; E111-F268 HydrophobicContact CG-CG 4.11Å
112	I	98.4	Very high	95.4	Very high	7 Å²	7	35.1 Å²	35.1	4%	0.036	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	-44.1	173.4	-56.2	-55.1	0	0	0	110.3	V110 I116 C118 I131 A134 R135 T138 V154 F185	V110-I112 HydrophobicContact CG2-CD1 3.93Å; I112-I116 HydrophobicContact CB-CB 4.25Å; I112-I116 HydrophobicContact CB-CG2 4.04Å; I112-I116 HydrophobicContact CG1-CG2 4.31Å; I112-I116 PolarHBondContact N-O 2.9Å; I112-C118 HydrophobicContact CD1-CB 3.8Å; I112-C118 HydrophobicContact CG1-CB 3.68Å; I112-I131 HydrophobicContact CD1-CB 4.36Å; I112-I131 HydrophobicContact CD1-CG1 4.3Å; I112-I131 HydrophobicContact CD1-CG2 3.82Å; I112-A134 HydrophobicContact CD1-CB 4.16Å; I112-A134 HydrophobicContact CG2-CB 3.63Å; I112-R135 HydrophobicContact CG2-CG 4.39Å; I112-T138 HydrophobicContact CG2-CG2 3.99Å; I112-V154 HydrophobicContact CG2-CG1 4.25Å; I112-F185 HydrophobicContact CG1-CE1 4.42Å
113	D	98.1	Very high	95.7	Very high	22 Å²	22	33.8 Å²	33.8	12%	0.118	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	170.4	172.9	-161.6	-5.6	0	0	0	107.9	E111 H115 I116 T138	E111-D113 WeakPolarHBondContact CG-O 3.36Å; D113-H115 PolarHBondContact O-N 3.39Å; D113-H115 IonicContact OD2-CE1 3.03Å; D113-H115 PolarHBondContact OD2-CE1 3.28Å; D113-H115 VanDerWaalsContact OD2-CE1 3.31Å; D113-H115 IonicContact OD2-ND1 3.67Å; D113-I116 PolarHBondContact N-O 2.91Å; D113-I116 CarbonylContact O-C 3.59Å; D113-I116 PolarHBondContact O-N 2.87Å; D113-T138 HydrophobicContact CB-CG2 4.2Å
114	S	97.4	Very high	95.9	Very high	49 Å²	49	34.6 Å²	34.6	34%	0.343	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-23	-177.2	62.4	0	0	0	0	114.3	T267 F268	S114-T267 CarbonylContact O-C 3.59Å; S114-T267 WeakPolarHBondContact O-CA 3.45Å; S114-F268 PolarHBondContact O-N 3.38Å
115	H	98.1	Very high	96.2	Very high	18 Å²	18	32.4 Å²	32.4	8%	0.083	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116	8.6	178.7	66.2	-61	0	0	0	113.8	D113 M149 G187 V188 V262	D113-H115 PolarHBondContact O-N 3.39Å; D113-H115 IonicContact OD2-CE1 3.03Å; D113-H115 PolarHBondContact OD2-CE1 3.28Å; D113-H115 VanDerWaalsContact OD2-CE1 3.31Å; D113-H115 IonicContact OD2-ND1 3.67Å; H115-M149 PolarHBondContact NE2-O 2.85Å; H115-G187 CarbonylContact O-C 3.55Å; H115-G187 WeakPolarHBondContact O-CA 3.48Å; H115-V188 PolarHBondContact CD2-O 2.91Å; H115-V188 VanDerWaalsContact CD2-O 3.28Å; H115-V188 PolarHBondContact O-N 2.88Å; H115-V262 WeakPolarHBondContact O-CG1 3.27Å
116	I	98.6	Very high	96.5	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	121.8	-176.2	-53.6	179.3	0	0	0	111.1	I112 D113 T138 V151 V154 F185	I112-I116 HydrophobicContact CB-CB 4.25Å; I112-I116 HydrophobicContact CB-CG2 4.04Å; I112-I116 HydrophobicContact CG1-CG2 4.31Å; I112-I116 PolarHBondContact N-O 2.9Å; D113-I116 PolarHBondContact N-O 2.91Å; D113-I116 CarbonylContact O-C 3.59Å; D113-I116 PolarHBondContact O-N 2.87Å; I116-T138 HydrophobicContact CD1-CG2 4.48Å; I116-V151 HydrophobicContact CD1-CG2 4.4Å; I116-V151 HydrophobicContact CG1-CG2 4.3Å; I116-V154 HydrophobicContact CD1-CB 4.42Å; I116-V154 HydrophobicContact CD1-CG2 3.72Å; I116-F185 HydrophobicContact CG2-CD1 4.44Å
117	G	98.6	Very high	96.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	157.9	166.7	0	0	0	0	0	112.4	V110 G186	V110-G117 CarbonylContact O-C 3.49Å; V110-G117 WeakPolarHBondContact O-CA 3.21Å; G117-G186 PolarHBondContact N-O 3.01Å; G117-G186 PolarHBondContact O-N 3.05Å; G117-G186 VanDerWaalsContact O-O 3.14Å
118	C	98.6	Very high	97	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	127	175	-175	0	0	0	0	111	I109 V110 I112 L184 F185	I109-C118 CarbonylContact C-O 3.39Å; I109-C118 WeakPolarHBondContact CA-O 3.49Å; V110-C118 HydrophobicContact CG2-CB 4.06Å; V110-C118 PolarHBondContact N-O 2.85Å; V110-C118 PolarHBondContact O-N 2.88Å; I112-C118 HydrophobicContact CD1-CB 3.8Å; I112-C118 HydrophobicContact CG1-CB 3.68Å; C118-L184 CarbonylContact C-O 3.49Å; C118-L184 VanDerWaalsContact CA-O 3.32Å; C118-L184 WeakPolarHBondContact CA-O 3.42Å; C118-F185 HydrophobicContact CB-CD1 4.07Å; C118-F185 HydrophobicContact CB-CE1 4.11Å
119	A	98.4	Very high	97	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	145	167.1	0	0	0	0	0	110.3	A79 L90 V92 K108 I109 L183 L184	A79-A119 HydrophobicContact CB-CB 4.45Å; L90-A119 HydrophobicContact CB-CB 4.35Å; L90-A119 HydrophobicContact CD1-CB 4.31Å; L90-A119 HydrophobicContact CD2-CB 4.28Å; V92-A119 HydrophobicContact CG2-CB 3.67Å; K108-A119 WeakPolarHBondContact O-CA 3.1Å; I109-A119 HydrophobicContact CG1-CB 4.22Å; A119-L183 WeakPolarHBondContact O-CA 3.27Å; A119-L184 HydrophobicContact CB-CB 4.27Å; A119-L184 PolarHBondContact N-O 3.3Å; A119-L184 PolarHBondContact O-N 3.16Å
120	M	97.6	Very high	96.9	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.02	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	143.1	-174.4	68.4	-169.6	96.9	0	0	112.8	K108 V110 I124 A127 I131 V181 L183	K108-M120 HydrophobicContact CD-CG 4.48Å; K108-M120 WeakPolarHBondContact O-CG 3.42Å; K108-M120 PolarHBondContact O-N 2.9Å; V110-M120 HydrophobicContact CB-CE 4.47Å; V110-M120 HydrophobicContact CG1-CE 3.64Å; V110-M120 HydrophobicContact CG2-CE 4.06Å; M120-I124 HydrophobicContact CG-CD1 3.59Å; M120-I124 HydrophobicContact SD-CD1 3.75Å; M120-I124 HydrophobicContact SD-CG2 4.05Å; M120-A127 HydrophobicContact CB-CB 4.08Å; M120-A127 HydrophobicContact CG-CB 4.21Å; M120-A127 HydrophobicContact SD-CB 3.37Å; M120-A127 WeakPolarHBondContact SD-CB 3.27Å; M120-I131 HydrophobicContact CE-CD1 3.38Å; M120-I131 HydrophobicContact SD-CD1 3.85Å; M120-V181 HydrophobicContact CB-CG2 4.25Å; M120-L183 HydrophobicContact CB-CD2 3.65Å
121	S	97.5	Very high	96.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	141.4	171.8	-167.1	0	0	0	0	112.3	S77 V181 A182 G213	S77-S121 WeakPolarHBondContact O-CB 3.36Å; S77-S121 PolarHBondContact O-OG 2.94Å; S121-V181 WeakPolarHBondContact O-CA 3.3Å; S121-V181 VanDerWaalsContact O-CG2 3.27Å; S121-V181 WeakPolarHBondContact O-CG2 3.44Å; S121-A182 PolarHBondContact N-O 3.09Å; S121-A182 PolarHBondContact O-N 3.49Å; S121-G213 WeakPolarHBondContact OG-CA 3.49Å
122	G	96.4	Very high	96.9	Very high	12 Å²	12	30.2 Å²	30.2	12%	0.124	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	111.1	-140.1	-171	0	0	0	0	0	111.6	I124	G122-I124 PolarHBondContact O-N 2.79Å
123	L	95.6	Very high	96.9	Very high	83 Å²	83	33.1 Å²	33.1	44%	0.435	19%	0.185	S	C	.	.			trans	-76.9	105.7	-179.1	-62.3	-178.2	0	0	0	111.4	A125 D126 A127 G180	L123-A125 PolarHBondContact O-N 2.73Å; L123-D126 HydrophobicContact CB-CB 4.22Å; L123-D126 WeakPolarHBondContact O-CB 3.46Å; L123-D126 PolarHBondContact O-N 3.07Å; L123-D126 VanDerWaalsContact O-N 3.14Å; L123-A127 PolarHBondContact O-N 2.88Å; L123-G180 PolarHBondContact N-O 3.2Å
124	I	93.1	Very high	96.9	Very high	46 Å²	46	32 Å²	32	24%	0.236	18%	0.18	C	C	.	.	H	α-helix	trans	-65.5	-27.2	-177.1	-55.1	-58	0	0	0	113	K108 M120 G122 D126 A127 K128	K108-I124 HydrophobicContact CD-CD1 3.65Å; K108-I124 HydrophobicContact CD-CG1 4.32Å; K108-I124 VanDerWaalsContact NZ-CD1 3.32Å; M120-I124 HydrophobicContact CG-CD1 3.59Å; M120-I124 HydrophobicContact SD-CD1 3.75Å; M120-I124 HydrophobicContact SD-CG2 4.05Å; G122-I124 PolarHBondContact O-N 2.79Å; I124-D126 VanDerWaalsContact C-N 3.33Å; I124-D126 PolarHBondContact O-N 2.84Å; I124-A127 WeakPolarHBondContact O-CB 3.32Å; I124-A127 PolarHBondContact O-N 3.27Å; I124-K128 PolarHBondContact O-N 2.63Å
125	A	93.1	Very high	96.9	Very high	75 Å²	75	34.3 Å²	34.3	62%	0.62	18%	0.181	S	C	*	.	H	α-helix	trans	-61.9	-42.7	174.4	0	0	0	0	0	111.7	L123 K128	L123-A125 PolarHBondContact O-N 2.73Å; A125-K128 PolarHBondContact O-N 2.93Å
126	D	95.4	Very high	97	Very high	14 Å²	14	37.1 Å²	37.1	8%	0.075	20%	0.199	C	C	.	.	H	α-helix	trans	-67.8	-39	177.5	-72.7	6.5	0	0	0	111.1	L123 I124 K128 T129 L130 R177 F179 G180 V181	L123-D126 HydrophobicContact CB-CB 4.22Å; L123-D126 WeakPolarHBondContact O-CB 3.46Å; L123-D126 PolarHBondContact O-N 3.07Å; L123-D126 VanDerWaalsContact O-N 3.14Å; I124-D126 VanDerWaalsContact C-N 3.33Å; I124-D126 PolarHBondContact O-N 2.84Å; D126-K128 VanDerWaalsContact C-N 3.26Å; D126-K128 PolarHBondContact O-N 3.33Å; D126-T129 PolarHBondContact O-N 3.23Å; D126-L130 PolarHBondContact O-N 2.97Å; D126-R177 IonicContact OD1-CZ 3.62Å; D126-R177 IonicContact OD1-NH1 3.53Å; D126-R177 IonicContact OD1-NH2 3.93Å; D126-R177 PolarHBondContact OD1-NH2 2.73Å; D126-R177 IonicContact OD2-CZ 3.58Å; D126-R177 IonicContact OD2-NH1 3.19Å; D126-R177 PolarHBondContact OD2-NH1 2.87Å; D126-R177 IonicContact OD2-NH2 2.97Å; D126-R177 PolarHBondContact OD2-NH2 2.86Å; D126-F179 HydrophobicContact CB-CB 4.23Å; D126-F179 HydrophobicContact CB-CD1 3.74Å; D126-F179 HydrophobicContact CB-CG 4.47Å; D126-F179 WeakPolarHBondContact OD2-CA 3.47Å; D126-G180 PolarHBondContact OD2-N 2.96Å; D126-V181 HydrophobicContact CB-CG1 4.21Å
127	A	96.1	Very high	96.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-55.9	-40.2	178.5	0	0	0	0	0	112.5	M120 L123 I124 T129 L130 I131 V181	M120-A127 HydrophobicContact CB-CB 4.08Å; M120-A127 HydrophobicContact CG-CB 4.21Å; M120-A127 HydrophobicContact SD-CB 3.37Å; M120-A127 WeakPolarHBondContact SD-CB 3.27Å; L123-A127 PolarHBondContact O-N 2.88Å; I124-A127 WeakPolarHBondContact O-CB 3.32Å; I124-A127 PolarHBondContact O-N 3.27Å; A127-T129 VanDerWaalsContact C-N 3.33Å; A127-T129 PolarHBondContact O-N 3.38Å; A127-L130 PolarHBondContact O-N 3.39Å; A127-L130 VanDerWaalsContact O-N 3.14Å; A127-I131 HydrophobicContact CB-CD1 4.12Å; A127-I131 WeakPolarHBondContact O-CB 3.33Å; A127-I131 WeakPolarHBondContact O-CD1 3.42Å; A127-I131 VanDerWaalsContact O-CG1 3.24Å; A127-I131 WeakPolarHBondContact O-CG1 3.5Å; A127-I131 PolarHBondContact O-N 3.16Å; A127-V181 HydrophobicContact CB-CG2 3.85Å
128	K	95.4	Very high	96.9	Very high	134 Å²	134	39.3 Å²	39.3	58%	0.583	21%	0.21	S	C	*	.	H	α-helix	trans	-58.5	-43	-177.8	-71.8	-178.1	177.1	-171.3	0	112.3	I124 A125 D126 L130 I131 D132	I124-K128 PolarHBondContact O-N 2.63Å; A125-K128 PolarHBondContact O-N 2.93Å; D126-K128 VanDerWaalsContact C-N 3.26Å; D126-K128 PolarHBondContact O-N 3.33Å; K128-L130 VanDerWaalsContact C-N 3.34Å; K128-L130 PolarHBondContact O-N 2.94Å; K128-I131 PolarHBondContact O-N 2.93Å; K128-D132 WeakPolarHBondContact O-CB 3.32Å; K128-D132 VanDerWaalsContact O-CG 3.26Å; K128-D132 PolarHBondContact O-N 2.86Å
129	T	95.8	Very high	96.9	Very high	73 Å²	73	43.5 Å²	43.5	45%	0.448	23%	0.229	S	C	.	.	H	α-helix	trans	-62.6	-41.7	177.2	-57.9	0	0	0	0	111.8	D126 A127 K133 F179	D126-T129 PolarHBondContact O-N 3.23Å; A127-T129 VanDerWaalsContact C-N 3.33Å; A127-T129 PolarHBondContact O-N 3.38Å; T129-K133 WeakPolarHBondContact O-CB 3.28Å; T129-K133 PolarHBondContact O-N 3.01Å; T129-F179 HydrophobicContact CG2-CE1 4.14Å; T129-F179 HydrophobicContact CG2-CZ 4.1Å
130	L	97.3	Very high	96.9	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.01	25%	0.249	C	C	.	.	H	α-helix	trans	-68.6	-38.9	177.7	-65.5	177.8	0	0	0	112.2	D126 A127 K128 K133 A134 V158 L161 F179 V181 L183	D126-L130 PolarHBondContact O-N 2.97Å; A127-L130 PolarHBondContact O-N 3.39Å; A127-L130 VanDerWaalsContact O-N 3.14Å; K128-L130 VanDerWaalsContact C-N 3.34Å; K128-L130 PolarHBondContact O-N 2.94Å; L130-K133 WeakPolarHBondContact O-CB 3.31Å; L130-K133 PolarHBondContact O-N 3.25Å; L130-A134 WeakPolarHBondContact O-CB 3.5Å; L130-A134 PolarHBondContact O-N 3.4Å; L130-V158 HydrophobicContact CB-CG1 3.77Å; L130-V158 HydrophobicContact CD1-CG1 4.46Å; L130-V158 HydrophobicContact CD2-CG1 3.76Å; L130-V158 HydrophobicContact CG-CG1 4.2Å; L130-L161 HydrophobicContact CD2-CD2 4.15Å; L130-L161 HydrophobicContact CD2-CG 4.34Å; L130-F179 HydrophobicContact CD1-CB 4.25Å; L130-F179 HydrophobicContact CD1-CD2 4.19Å; L130-F179 HydrophobicContact CD1-CG 4.11Å; L130-F179 HydrophobicContact CD2-CD2 3.73Å; L130-F179 HydrophobicContact CD2-CE1 4.38Å; L130-F179 HydrophobicContact CD2-CE2 3.41Å; L130-F179 VanDerWaalsContact CD2-CE2 3.41Å; L130-F179 HydrophobicContact CD2-CG 4.31Å; L130-F179 HydrophobicContact CD2-CZ 3.76Å; L130-F179 HydrophobicContact CG-CD1 4.39Å; L130-F179 HydrophobicContact CG-CD2 4.19Å; L130-F179 HydrophobicContact CG-CE1 4.35Å; L130-F179 HydrophobicContact CG-CE2 4.15Å; L130-F179 HydrophobicContact CG-CG 4.28Å; L130-F179 HydrophobicContact CG-CZ 4.21Å; L130-V181 HydrophobicContact CD1-CG1 3.5Å; L130-L183 HydrophobicContact CB-CD1 3.93Å; L130-L183 HydrophobicContact CD1-CD1 3.84Å
131	I	97.9	Very high	97	Very high	7 Å²	7	48.4 Å²	48.4	4%	0.036	25%	0.254	C	S	.	.	H	α-helix	trans	-65.7	-44.6	176.7	-72.1	157.9	0	0	0	111	V110 I112 M120 A127 K128 K133 A134 R135	V110-I131 HydrophobicContact CG1-CD1 4.45Å; V110-I131 HydrophobicContact CG2-CD1 3.62Å; V110-I131 HydrophobicContact CG2-CG1 3.83Å; V110-I131 HydrophobicContact CG2-CG2 3.88Å; I112-I131 HydrophobicContact CD1-CB 4.36Å; I112-I131 HydrophobicContact CD1-CG1 4.3Å; I112-I131 HydrophobicContact CD1-CG2 3.82Å; M120-I131 HydrophobicContact CE-CD1 3.38Å; M120-I131 HydrophobicContact SD-CD1 3.85Å; A127-I131 HydrophobicContact CB-CD1 4.12Å; A127-I131 WeakPolarHBondContact O-CB 3.33Å; A127-I131 WeakPolarHBondContact O-CD1 3.42Å; A127-I131 VanDerWaalsContact O-CG1 3.24Å; A127-I131 WeakPolarHBondContact O-CG1 3.5Å; A127-I131 PolarHBondContact O-N 3.16Å; K128-I131 PolarHBondContact O-N 2.93Å; I131-K133 VanDerWaalsContact C-N 3.32Å; I131-K133 PolarHBondContact O-N 2.91Å; I131-A134 WeakPolarHBondContact O-CB 3.35Å; I131-A134 PolarHBondContact O-N 2.88Å; I131-A134 VanDerWaalsContact O-N 3.16Å; I131-R135 WeakPolarHBondContact O-CG 3.34Å; I131-R135 PolarHBondContact O-N 3.5Å
132	D	97.7	Very high	97	Very high	88 Å²	88	54.6 Å²	54.6	47%	0.471	28%	0.278	S	S	.	.	H	α-helix	trans	-64.5	-39.9	178	-71.2	-20.1	0	0	0	110.9	K128 R135 V136	K128-D132 WeakPolarHBondContact O-CB 3.32Å; K128-D132 VanDerWaalsContact O-CG 3.26Å; K128-D132 PolarHBondContact O-N 2.86Å; D132-R135 PolarHBondContact O-N 3.25Å; D132-R135 IonicContact OD1-NH1 3.51Å; D132-V136 WeakPolarHBondContact O-CG2 3.24Å; D132-V136 PolarHBondContact O-N 3.14Å
133	K	97.5	Very high	97.1	Very high	68 Å²	68	62 Å²	62	30%	0.296	31%	0.307	S	S	.	.	H	α-helix	trans	-57.5	-49.5	170.2	178.5	63.2	170.1	176.5	0	111	T129 L130 I131 R135 V136 E137 L161	T129-K133 WeakPolarHBondContact O-CB 3.28Å; T129-K133 PolarHBondContact O-N 3.01Å; L130-K133 WeakPolarHBondContact O-CB 3.31Å; L130-K133 PolarHBondContact O-N 3.25Å; I131-K133 VanDerWaalsContact C-N 3.32Å; I131-K133 PolarHBondContact O-N 2.91Å; K133-R135 VanDerWaalsContact C-N 3.33Å; K133-R135 PolarHBondContact O-N 3.37Å; K133-V136 PolarHBondContact O-N 3.17Å; K133-E137 HydrophobicContact CD-CG 3.91Å; K133-E137 VanDerWaalsContact CE-OE1 3.27Å; K133-E137 WeakPolarHBondContact CE-OE1 3.38Å; K133-E137 HydrophobicContact CG-CG 4.29Å; K133-E137 IonicContact NZ-OE1 2.72Å; K133-E137 PolarHBondContact NZ-OE1 3.38Å; K133-E137 VanDerWaalsContact O-CG 3.28Å; K133-E137 WeakPolarHBondContact O-CG 3.37Å; K133-E137 PolarHBondContact O-N 3.43Å; K133-L161 HydrophobicContact CB-CD2 3.6Å; K133-L161 HydrophobicContact CD-CD2 4.16Å; K133-L161 HydrophobicContact CG-CB 4.35Å; K133-L161 HydrophobicContact CG-CD2 3.62Å
134	A	98.4	Very high	97.2	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-56.7	-46.5	179.7	0	0	0	0	0	111.9	I112 L130 I131 E137 T138 V154 V158 F185	I112-A134 HydrophobicContact CD1-CB 4.16Å; I112-A134 HydrophobicContact CG2-CB 3.63Å; L130-A134 WeakPolarHBondContact O-CB 3.5Å; L130-A134 PolarHBondContact O-N 3.4Å; I131-A134 WeakPolarHBondContact O-CB 3.35Å; I131-A134 PolarHBondContact O-N 2.88Å; I131-A134 VanDerWaalsContact O-N 3.16Å; A134-E137 PolarHBondContact O-N 2.76Å; A134-T138 WeakPolarHBondContact O-CG2 3.1Å; A134-T138 PolarHBondContact O-N 3.41Å; A134-T138 PolarHBondContact O-OG1 3.49Å; A134-V154 HydrophobicContact CB-CG1 3.88Å; A134-V158 HydrophobicContact CB-CG2 3.59Å; A134-F185 HydrophobicContact CB-CE1 4.33Å
135	R	98.6	Very high	97.4	Very high	96 Å²	96	67.1 Å²	67.1	36%	0.362	33%	0.329	S	S	.	.	H	α-helix	trans	-62.9	-40.8	177.6	-73.2	170.5	171.8	169.3	-4.6	112.9	E111 I112 I131 D132 K133 T138 Q139	E111-R135 PolarHBondContact O-NE 3.4Å; E111-R135 PolarHBondContact O-NH2 2.87Å; I112-R135 HydrophobicContact CG2-CG 4.39Å; I131-R135 WeakPolarHBondContact O-CG 3.34Å; I131-R135 PolarHBondContact O-N 3.5Å; D132-R135 PolarHBondContact O-N 3.25Å; D132-R135 IonicContact OD1-NH1 3.51Å; K133-R135 VanDerWaalsContact C-N 3.33Å; K133-R135 PolarHBondContact O-N 3.37Å; R135-T138 WeakPolarHBondContact CA-OG1 3.37Å; R135-T138 PolarHBondContact O-OG1 3.09Å; R135-Q139 VanDerWaalsContact O-CG 3.28Å; R135-Q139 WeakPolarHBondContact O-CG 3.25Å; R135-Q139 PolarHBondContact O-N 2.56Å
136	V	98.5	Very high	97.6	Very high	78 Å²	78	69.8 Å²	69.8	47%	0.473	33%	0.332	S	S	.	.	H	α-helix	trans	-66.5	-43.4	176.9	168.6	0	0	0	0	110.6	D132 K133 Q139 N140	D132-V136 WeakPolarHBondContact O-CG2 3.24Å; D132-V136 PolarHBondContact O-N 3.14Å; K133-V136 PolarHBondContact O-N 3.17Å; V136-Q139 PolarHBondContact O-N 3.17Å; V136-N140 WeakPolarHBondContact CG1-ND2 3.45Å; V136-N140 VanDerWaalsContact O-CB 3.3Å; V136-N140 WeakPolarHBondContact O-CB 3.4Å; V136-N140 PolarHBondContact O-N 2.93Å; V136-N140 PolarHBondContact O-ND2 2.86Å
137	E	98.3	Very high	97.6	Very high	46 Å²	46	73.9 Å²	73.9	22%	0.215	35%	0.351	C	S	.	.	H	α-helix	trans	-66.5	-41.4	-179.7	-66.7	-58	142.9	0	0	112.4	K133 A134 Q139 N140 H141 M149 A157	K133-E137 HydrophobicContact CD-CG 3.91Å; K133-E137 VanDerWaalsContact CE-OE1 3.27Å; K133-E137 WeakPolarHBondContact CE-OE1 3.38Å; K133-E137 HydrophobicContact CG-CG 4.29Å; K133-E137 IonicContact NZ-OE1 2.72Å; K133-E137 PolarHBondContact NZ-OE1 3.38Å; K133-E137 VanDerWaalsContact O-CG 3.28Å; K133-E137 WeakPolarHBondContact O-CG 3.37Å; K133-E137 PolarHBondContact O-N 3.43Å; A134-E137 PolarHBondContact O-N 2.76Å; E137-Q139 PolarHBondContact O-N 2.85Å; E137-N140 PolarHBondContact O-N 2.87Å; E137-H141 WeakPolarHBondContact O-CB 3.28Å; E137-H141 PolarHBondContact O-N 3.15Å; E137-M149 HydrophobicContact CB-CE 4.26Å; E137-M149 HydrophobicContact CB-SD 4.25Å; E137-A157 HydrophobicContact CB-CB 4.25Å; E137-A157 HydrophobicContact CG-CB 3.96Å
138	T	98.2	Very high	97.6	Very high	0 Å²	0	77.1 Å²	77.1	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-60.6	-46.8	175.7	50.7	0	0	0	0	111.9	I112 D113 I116 A134 R135 H141 W142 M149 V154	I112-T138 HydrophobicContact CG2-CG2 3.99Å; D113-T138 HydrophobicContact CB-CG2 4.2Å; I116-T138 HydrophobicContact CD1-CG2 4.48Å; A134-T138 WeakPolarHBondContact O-CG2 3.1Å; A134-T138 PolarHBondContact O-N 3.41Å; A134-T138 PolarHBondContact O-OG1 3.49Å; R135-T138 WeakPolarHBondContact CA-OG1 3.37Å; R135-T138 PolarHBondContact O-OG1 3.09Å; T138-H141 PolarHBondContact O-N 3.38Å; T138-W142 PolarHBondContact O-N 3.45Å; T138-M149 HydrophobicContact CG2-CB 4.24Å; T138-M149 HydrophobicContact CG2-SD 4.19Å; T138-V154 HydrophobicContact CG2-CB 4.46Å; T138-V154 HydrophobicContact CG2-CG1 4.26Å; T138-V154 HydrophobicContact CG2-CG2 3.31Å
139	Q	98.4	Very high	97.8	Very high	88 Å²	88	71 Å²	71	41%	0.411	35%	0.345	S	S	.	.	H	α-helix	trans	-68.3	-35.5	179	-64.2	-55.6	-57.8	0	0	112.5	R135 V136 E137 W142 F143	R135-Q139 VanDerWaalsContact O-CG 3.28Å; R135-Q139 WeakPolarHBondContact O-CG 3.25Å; R135-Q139 PolarHBondContact O-N 2.56Å; V136-Q139 PolarHBondContact O-N 3.17Å; E137-Q139 PolarHBondContact O-N 2.85Å; Q139-W142 PolarHBondContact O-N 3.15Å; Q139-F143 VanDerWaalsContact O-CB 3.29Å; Q139-F143 WeakPolarHBondContact O-CB 3.27Å; Q139-F143 PolarHBondContact O-N 3.38Å
140	N	98.4	Very high	97.9	Very high	76 Å²	76	69.7 Å²	69.7	41%	0.406	34%	0.337	S	S	.	.	H	α-helix	trans	-65.7	-42.2	174.3	-75	-19.4	0	0	0	111.9	V136 E137 F143 T144	V136-N140 WeakPolarHBondContact CG1-ND2 3.45Å; V136-N140 VanDerWaalsContact O-CB 3.3Å; V136-N140 WeakPolarHBondContact O-CB 3.4Å; V136-N140 PolarHBondContact O-N 2.93Å; V136-N140 PolarHBondContact O-ND2 2.86Å; E137-N140 PolarHBondContact O-N 2.87Å; N140-F143 PolarHBondContact O-N 3.3Å; N140-T144 VanDerWaalsContact O-CB 3.3Å; N140-T144 WeakPolarHBondContact O-CB 3.43Å; N140-T144 PolarHBondContact O-N 3.42Å; N140-T144 PolarHBondContact O-OG1 3.43Å
141	H	98.4	Very high	97.9	Very high	31 Å²	31	69.6 Å²	69.6	14%	0.144	34%	0.336	C	S	.	.	H	α-helix	trans	-60.9	-48.6	175.4	-172.2	95	0	0	0	110.4	E137 T138 F143 T144 Y145 E147 M149	E137-H141 WeakPolarHBondContact O-CB 3.28Å; E137-H141 PolarHBondContact O-N 3.15Å; T138-H141 PolarHBondContact O-N 3.38Å; H141-F143 PolarHBondContact O-N 3.32Å; H141-T144 PolarHBondContact O-N 3.12Å; H141-Y145 HydrophobicContact CB-CD2 4.49Å; H141-Y145 AromaticContact CD2-CD2 3.98Å; H141-Y145 AromaticContact CE1-CD2 3.45Å; H141-Y145 VanDerWaalsContact CE1-CD2 3.45Å; H141-Y145 WeakPolarHBondContact CE1-CD2 3.25Å; H141-Y145 AromaticContact CE1-CE2 3.93Å; H141-Y145 AromaticContact CG-CD2 3.77Å; H141-Y145 AromaticContact ND1-CD2 3.45Å; H141-Y145 WeakPolarHBondContact ND1-CD2 3.34Å; H141-Y145 AromaticContact ND1-CE2 3.72Å; H141-Y145 AromaticContact NE2-CD2 3.78Å; H141-Y145 WeakPolarHBondContact O-CB 3.49Å; H141-Y145 WeakPolarHBondContact O-CD2 3.36Å; H141-Y145 PolarHBondContact O-N 3.42Å; H141-E147 PolarHBondContact CD2-O 3.04Å; H141-E147 IonicContact CE1-OE1 2.8Å; H141-E147 WeakPolarHBondContact NE2-CG 3.07Å; H141-E147 IonicContact NE2-OE1 3.14Å; H141-E147 PolarHBondContact NE2-OE1 2.94Å; H141-M149 HydrophobicContact CB-CB 3.86Å; H141-M149 HydrophobicContact CB-CG 3.85Å; H141-M149 HydrophobicContact CB-SD 3.81Å
142	W	97.7	Very high	98	Very high	129 Å²	129	72.5 Å²	72.5	49%	0.489	35%	0.349	S	S	.	.	H	α-helix	trans	-59.2	-45.7	176	177.7	69.9	0	0	0	112.3	T138 Q139 T144 N146 E147	T138-W142 PolarHBondContact O-N 3.45Å; Q139-W142 PolarHBondContact O-N 3.15Å; W142-T144 VanDerWaalsContact C-N 3.31Å; W142-T144 PolarHBondContact O-N 2.91Å; W142-N146 WeakPolarHBondContact O-CA 3.35Å; W142-N146 PolarHBondContact O-N 3.02Å; W142-E147 WeakPolarHBondContact CA-O 3.49Å
143	F	98.3	Very high	98	Very high	167 Å²	167	70 Å²	70	73%	0.732	34%	0.339	S	S	*	.	H	α-helix	trans	-61.8	-38.5	177.8	177.1	-101.3	0	0	0	112.9	Q139 N140 H141	Q139-F143 VanDerWaalsContact O-CB 3.29Å; Q139-F143 WeakPolarHBondContact O-CB 3.27Å; Q139-F143 PolarHBondContact O-N 3.38Å; N140-F143 PolarHBondContact O-N 3.3Å; H141-F143 PolarHBondContact O-N 3.32Å
144	T	98.4	Very high	98	Very high	90 Å²	90	66.8 Å²	66.8	55%	0.552	33%	0.325	S	S	*	.	H	α-helix	trans	-82.4	-44.1	-173.6	-55.9	0	0	0	0	112.3	N140 H141 W142	N140-T144 VanDerWaalsContact O-CB 3.3Å; N140-T144 WeakPolarHBondContact O-CB 3.43Å; N140-T144 PolarHBondContact O-N 3.42Å; N140-T144 PolarHBondContact O-OG1 3.43Å; H141-T144 PolarHBondContact O-N 3.12Å; W142-T144 VanDerWaalsContact C-N 3.31Å; W142-T144 PolarHBondContact O-N 2.91Å
145	Y	97.8	Very high	98	Very high	147 Å²	147	66.8 Å²	66.8	58%	0.576	33%	0.325	S	S	*	.	H	α-helix	trans	-107.9	-10.9	-171	-57.4	-68.4	0	0	0	113.2	H141 E147	H141-Y145 HydrophobicContact CB-CD2 4.49Å; H141-Y145 AromaticContact CD2-CD2 3.98Å; H141-Y145 AromaticContact CE1-CD2 3.45Å; H141-Y145 VanDerWaalsContact CE1-CD2 3.45Å; H141-Y145 WeakPolarHBondContact CE1-CD2 3.25Å; H141-Y145 AromaticContact CE1-CE2 3.93Å; H141-Y145 AromaticContact CG-CD2 3.77Å; H141-Y145 AromaticContact ND1-CD2 3.45Å; H141-Y145 WeakPolarHBondContact ND1-CD2 3.34Å; H141-Y145 AromaticContact ND1-CE2 3.72Å; H141-Y145 AromaticContact NE2-CD2 3.78Å; H141-Y145 WeakPolarHBondContact O-CB 3.49Å; H141-Y145 WeakPolarHBondContact O-CD2 3.36Å; H141-Y145 PolarHBondContact O-N 3.42Å; Y145-E147 PolarHBondContact O-N 3.3Å
146	N	97.1	Very high	98	Very high	131 Å²	131	66.8 Å²	66.8	70%	0.701	33%	0.329	S	S	*	.	S	Bend	trans	56.1	37.7	-178.1	-167.6	57.3	0	0	0	113	W142	W142-N146 WeakPolarHBondContact O-CA 3.35Å; W142-N146 PolarHBondContact O-N 3.02Å
147	E	96.1	Very high	98	Very high	101 Å²	101	63.8 Å²	63.8	47%	0.472	31%	0.312	S	S	.	.	S	Bend	trans	-141.3	162.7	175.2	66.6	-179.1	-160.4	0	0	109.7	H141 W142 Y145	H141-E147 PolarHBondContact CD2-O 3.04Å; H141-E147 IonicContact CE1-OE1 2.8Å; H141-E147 WeakPolarHBondContact NE2-CG 3.07Å; H141-E147 IonicContact NE2-OE1 3.14Å; H141-E147 PolarHBondContact NE2-OE1 2.94Å; W142-E147 WeakPolarHBondContact CA-O 3.49Å; Y145-E147 PolarHBondContact O-N 3.3Å
148	T	96	Very high	97.9	Very high	67 Å²	67	61.6 Å²	61.6	41%	0.411	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-75.4	138.4	176.5	48.7	0	0	0	0	110.8
149	M	98.1	Very high	97.9	Very high	7 Å²	7	61.8 Å²	61.8	3%	0.034	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-69.8	138.3	177.5	-161.5	172.6	-174	0	0	110.3	H115 E137 T138 H141 S153 V154 A157	H115-M149 PolarHBondContact NE2-O 2.85Å; E137-M149 HydrophobicContact CB-CE 4.26Å; E137-M149 HydrophobicContact CB-SD 4.25Å; T138-M149 HydrophobicContact CG2-CB 4.24Å; T138-M149 HydrophobicContact CG2-SD 4.19Å; H141-M149 HydrophobicContact CB-CB 3.86Å; H141-M149 HydrophobicContact CB-CG 3.85Å; H141-M149 HydrophobicContact CB-SD 3.81Å; M149-S153 WeakPolarHBondContact CE-OG 3.48Å; M149-V154 HydrophobicContact CB-CG2 3.95Å; M149-V154 HydrophobicContact CE-CG2 4.37Å; M149-V154 HydrophobicContact CG-CG2 3.67Å; M149-V154 HydrophobicContact SD-CB 4.47Å; M149-V154 HydrophobicContact SD-CG2 3.48Å; M149-V154 WeakPolarHBondContact SD-CG2 3.5Å; M149-A157 HydrophobicContact CE-CB 4.28Å
150	T	98.3	Very high	97.7	Very high	45 Å²	45	61.6 Å²	61.6	28%	0.276	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-69.2	152.3	177	64.1	0	0	0	0	111.5	E152 S153 V154 D189	T150-E152 PolarHBondContact O-N 3.45Å; T150-S153 PolarHBondContact O-N 3.17Å; T150-S153 VanDerWaalsContact O-N 3.11Å; T150-S153 WeakPolarHBondContact OG1-CB 3.46Å; T150-S153 PolarHBondContact OG1-N 3.06Å; T150-V154 WeakPolarHBondContact O-CG2 3.31Å; T150-V154 PolarHBondContact O-N 3.48Å; T150-D189 WeakPolarHBondContact CA-OD2 3.22Å; T150-D189 VanDerWaalsContact CB-OD2 3.28Å; T150-D189 WeakPolarHBondContact CB-OD2 3.48Å
151	V	98.4	Very high	97.5	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-61.3	-39.2	-179.6	-171.5	0	0	0	0	110.7	I116 T155 F185 D189 Q194 Y196	I116-V151 HydrophobicContact CD1-CG2 4.4Å; I116-V151 HydrophobicContact CG1-CG2 4.3Å; V151-T155 WeakPolarHBondContact O-CB 3.18Å; V151-T155 PolarHBondContact O-N 2.8Å; V151-T155 PolarHBondContact O-OG1 2.88Å; V151-F185 HydrophobicContact CG1-CB 4.09Å; V151-D189 PolarHBondContact N-OD2 2.62Å; V151-Q194 HydrophobicContact CB-CB 4.35Å; V151-Q194 HydrophobicContact CG2-CB 4.39Å; V151-Y196 HydrophobicContact CB-CD2 4.29Å; V151-Y196 HydrophobicContact CB-CE2 4.28Å; V151-Y196 HydrophobicContact CG1-CD2 3.75Å; V151-Y196 HydrophobicContact CG1-CE2 4.24Å
152	E	98.5	Very high	97.3	Very high	67 Å²	67	57.9 Å²	57.9	31%	0.313	29%	0.287	S	S	.	.	H	α-helix	trans	-58.5	-47.8	173.8	-171.7	177.9	-172.1	0	0	112.1	T150 T155 Q156 K191 Y196 F204	T150-E152 PolarHBondContact O-N 3.45Å; E152-T155 PolarHBondContact O-N 3.05Å; E152-Q156 WeakPolarHBondContact O-CB 3.47Å; E152-Q156 PolarHBondContact O-N 2.86Å; E152-K191 IonicContact OE2-NZ 2.71Å; E152-K191 PolarHBondContact OE2-NZ 2.9Å; E152-Y196 HydrophobicContact CB-CE1 4.4Å; E152-Y196 HydrophobicContact CB-CE2 4.09Å; E152-Y196 WeakPolarHBondContact CB-OH 3.31Å; E152-Y196 HydrophobicContact CG-CE1 4.21Å; E152-F204 HydrophobicContact CG-CE2 4.33Å
153	S	98.3	Very high	97	Very high	36 Å²	36	56 Å²	56	25%	0.252	29%	0.286	S	S	.	.	H	α-helix	trans	-66.3	-41.8	-176.9	-172	0	0	0	0	111.5	M149 T150 T155 Q156 A157	M149-S153 WeakPolarHBondContact CE-OG 3.48Å; T150-S153 PolarHBondContact O-N 3.17Å; T150-S153 VanDerWaalsContact O-N 3.11Å; T150-S153 WeakPolarHBondContact OG1-CB 3.46Å; T150-S153 PolarHBondContact OG1-N 3.06Å; S153-T155 VanDerWaalsContact C-N 3.34Å; S153-T155 PolarHBondContact O-N 2.83Å; S153-Q156 PolarHBondContact O-N 3.19Å; S153-A157 WeakPolarHBondContact O-CB 3.38Å; S153-A157 PolarHBondContact O-N 2.87Å
154	V	98.3	Very high	96.6	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-60.6	-46.9	174.4	177.5	0	0	0	0	110.5	I112 I116 A134 T138 M149 T150 Q156 A157 V158 F185	I112-V154 HydrophobicContact CG2-CG1 4.25Å; I116-V154 HydrophobicContact CD1-CB 4.42Å; I116-V154 HydrophobicContact CD1-CG2 3.72Å; A134-V154 HydrophobicContact CB-CG1 3.88Å; T138-V154 HydrophobicContact CG2-CB 4.46Å; T138-V154 HydrophobicContact CG2-CG1 4.26Å; T138-V154 HydrophobicContact CG2-CG2 3.31Å; M149-V154 HydrophobicContact CB-CG2 3.95Å; M149-V154 HydrophobicContact CE-CG2 4.37Å; M149-V154 HydrophobicContact CG-CG2 3.67Å; M149-V154 HydrophobicContact SD-CB 4.47Å; M149-V154 HydrophobicContact SD-CG2 3.48Å; M149-V154 WeakPolarHBondContact SD-CG2 3.5Å; T150-V154 WeakPolarHBondContact O-CG2 3.31Å; T150-V154 PolarHBondContact O-N 3.48Å; V154-Q156 VanDerWaalsContact C-N 3.31Å; V154-Q156 PolarHBondContact O-N 2.98Å; V154-A157 PolarHBondContact O-N 2.85Å; V154-V158 VanDerWaalsContact O-CG2 3.31Å; V154-V158 WeakPolarHBondContact O-CG2 3.49Å; V154-V158 PolarHBondContact O-N 3.44Å; V154-F185 HydrophobicContact CG1-CD1 4.42Å; V154-F185 HydrophobicContact CG1-CE1 4.18Å
155	T	98.3	Very high	96.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-61.1	-42.9	179.9	-54.9	0	0	0	0	110.8	V151 E152 S153 V158 S159 F185 Y196 M198 F204	V151-T155 WeakPolarHBondContact O-CB 3.18Å; V151-T155 PolarHBondContact O-N 2.8Å; V151-T155 PolarHBondContact O-OG1 2.88Å; E152-T155 PolarHBondContact O-N 3.05Å; S153-T155 VanDerWaalsContact C-N 3.34Å; S153-T155 PolarHBondContact O-N 2.83Å; T155-V158 PolarHBondContact O-N 2.89Å; T155-S159 VanDerWaalsContact O-CB 3.27Å; T155-S159 WeakPolarHBondContact O-CB 3.32Å; T155-S159 PolarHBondContact O-N 3.32Å; T155-F185 HydrophobicContact CG2-CD2 3.92Å; T155-F185 HydrophobicContact CG2-CE2 4.25Å; T155-Y196 HydrophobicContact CG2-CG 4.39Å; T155-M198 HydrophobicContact CG2-CB 4.27Å; T155-F204 HydrophobicContact CG2-CB 3.45Å; T155-F204 VanDerWaalsContact CG2-CB 3.45Å; T155-F204 HydrophobicContact CG2-CD2 3.82Å; T155-F204 HydrophobicContact CG2-CG 3.7Å
156	Q	98.2	Very high	95.4	Very high	96 Å²	96	42.6 Å²	42.6	45%	0.449	23%	0.226	S	C	.	.	H	α-helix	trans	-63.9	-42	176.7	-176.6	167.3	57.1	0	0	112.2	E152 S153 V154 V158 S159 N160 F204	E152-Q156 WeakPolarHBondContact O-CB 3.47Å; E152-Q156 PolarHBondContact O-N 2.86Å; S153-Q156 PolarHBondContact O-N 3.19Å; V154-Q156 VanDerWaalsContact C-N 3.31Å; V154-Q156 PolarHBondContact O-N 2.98Å; Q156-V158 VanDerWaalsContact C-N 3.31Å; Q156-V158 PolarHBondContact O-N 2.77Å; Q156-S159 WeakPolarHBondContact O-CB 3.34Å; Q156-S159 PolarHBondContact O-N 2.98Å; Q156-N160 PolarHBondContact O-N 2.98Å; Q156-N160 PolarHBondContact O-ND2 2.6Å; Q156-F204 HydrophobicContact CB-CE1 3.86Å; Q156-F204 HydrophobicContact CB-CZ 3.76Å; Q156-F204 HydrophobicContact CG-CE1 3.97Å; Q156-F204 HydrophobicContact CG-CZ 4.09Å
157	A	97.8	Very high	94.4	Very high	15 Å²	15	40.4 Å²	40.4	12%	0.124	21%	0.211	C	C	.	.	H	α-helix	trans	-63.6	-37.8	178.8	0	0	0	0	0	112.3	E137 M149 S153 V154 L161	E137-A157 HydrophobicContact CB-CB 4.25Å; E137-A157 HydrophobicContact CG-CB 3.96Å; M149-A157 HydrophobicContact CE-CB 4.28Å; S153-A157 WeakPolarHBondContact O-CB 3.38Å; S153-A157 PolarHBondContact O-N 2.87Å; V154-A157 PolarHBondContact O-N 2.85Å; A157-L161 PolarHBondContact O-N 3.1Å
158	V	97.8	Very high	92.9	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-72.2	-41	175.2	-179.4	0	0	0	0	111.2	L130 A134 V154 T155 Q156 N160 L161 A162 L183 F185 M198	L130-V158 HydrophobicContact CB-CG1 3.77Å; L130-V158 HydrophobicContact CD1-CG1 4.46Å; L130-V158 HydrophobicContact CD2-CG1 3.76Å; L130-V158 HydrophobicContact CG-CG1 4.2Å; A134-V158 HydrophobicContact CB-CG2 3.59Å; V154-V158 VanDerWaalsContact O-CG2 3.31Å; V154-V158 WeakPolarHBondContact O-CG2 3.49Å; V154-V158 PolarHBondContact O-N 3.44Å; T155-V158 PolarHBondContact O-N 2.89Å; Q156-V158 VanDerWaalsContact C-N 3.31Å; Q156-V158 PolarHBondContact O-N 2.77Å; V158-N160 VanDerWaalsContact C-N 3.32Å; V158-N160 PolarHBondContact O-N 2.88Å; V158-L161 WeakPolarHBondContact O-CB 3.44Å; V158-L161 PolarHBondContact O-N 3.47Å; V158-L161 VanDerWaalsContact O-N 3.12Å; V158-A162 PolarHBondContact O-N 3.21Å; V158-L183 HydrophobicContact CG1-CD1 4.05Å; V158-F185 HydrophobicContact CB-CZ 4.22Å; V158-F185 HydrophobicContact CG1-CZ 4.16Å; V158-F185 HydrophobicContact CG2-CZ 4.01Å; V158-M198 HydrophobicContact CB-SD 4.13Å; V158-M198 HydrophobicContact CG1-CE 4Å; V158-M198 HydrophobicContact CG1-SD 3.74Å
159	S	96.9	Very high	91.4	Very high	5 Å²	5	48.3 Å²	48.3	4%	0.035	25%	0.249	C	C	.	.	H	α-helix	trans	-56.6	-44.3	173.4	150.6	0	0	0	0	112.1	T155 Q156 L161 A162 L163 G202	T155-S159 VanDerWaalsContact O-CB 3.27Å; T155-S159 WeakPolarHBondContact O-CB 3.32Å; T155-S159 PolarHBondContact O-N 3.32Å; Q156-S159 WeakPolarHBondContact O-CB 3.34Å; Q156-S159 PolarHBondContact O-N 2.98Å; S159-L161 VanDerWaalsContact C-N 3.27Å; S159-L161 PolarHBondContact O-N 3.46Å; S159-A162 PolarHBondContact O-N 2.82Å; S159-L163 PolarHBondContact O-N 3.18Å; S159-L163 VanDerWaalsContact O-N 3.16Å; S159-G202 WeakPolarHBondContact CB-O 3.45Å; S159-G202 PolarHBondContact OG-O 3.27Å
160	N	95.4	Very high	89.7	Confident	83 Å²	83	51.9 Å²	51.9	44%	0.444	28%	0.279	S	S	.	.	H	α-helix	trans	-61.1	-35.1	176.6	-71	-24.5	0	0	0	112.5	Q156 V158 Q164	Q156-N160 PolarHBondContact O-N 2.98Å; Q156-N160 PolarHBondContact O-ND2 2.6Å; V158-N160 VanDerWaalsContact C-N 3.32Å; V158-N160 PolarHBondContact O-N 2.88Å; N160-Q164 WeakPolarHBondContact O-CG 3.42Å
161	L	94.2	Very high	88.2	Confident	29 Å²	29	53.7 Å²	53.7	15%	0.152	29%	0.287	C	S	.	.	H	α-helix	trans	-70.2	-38.5	173.4	177.8	60.6	0	0	0	111.5	L130 K133 A157 V158 S159 L163 Q164 F179	L130-L161 HydrophobicContact CD2-CD2 4.15Å; L130-L161 HydrophobicContact CD2-CG 4.34Å; K133-L161 HydrophobicContact CB-CD2 3.6Å; K133-L161 HydrophobicContact CD-CD2 4.16Å; K133-L161 HydrophobicContact CG-CB 4.35Å; K133-L161 HydrophobicContact CG-CD2 3.62Å; A157-L161 PolarHBondContact O-N 3.1Å; V158-L161 WeakPolarHBondContact O-CB 3.44Å; V158-L161 PolarHBondContact O-N 3.47Å; V158-L161 VanDerWaalsContact O-N 3.12Å; S159-L161 VanDerWaalsContact C-N 3.27Å; S159-L161 PolarHBondContact O-N 3.46Å; L161-L163 PolarHBondContact O-N 2.89Å; L161-Q164 WeakPolarHBondContact O-CB 3.47Å; L161-Q164 PolarHBondContact O-N 2.83Å; L161-Q164 VanDerWaalsContact O-N 3.09Å; L161-F179 HydrophobicContact CG-CE2 4.24Å; L161-F179 HydrophobicContact CG-CZ 4.4Å
162	A	93.3	Very high	86.5	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.008	33%	0.327	C	S	.	.	H	α-helix	trans	-65.3	-25.8	179.3	0	0	0	0	0	114	V158 S159 Q164 F179 M198	V158-A162 PolarHBondContact O-N 3.21Å; S159-A162 PolarHBondContact O-N 2.82Å; A162-Q164 VanDerWaalsContact C-N 3.28Å; A162-Q164 PolarHBondContact O-N 3.48Å; A162-F179 HydrophobicContact CB-CD2 3.94Å; A162-F179 HydrophobicContact CB-CE2 4.38Å; A162-M198 HydrophobicContact CB-CE 3.25Å
163	L	91.7	Very high	85.2	Confident	89 Å²	89	59.8 Å²	59.8	47%	0.466	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-13.4	174	-70.5	173.8	0	0	0	113.9	S159 L161 F165 S201	S159-L163 PolarHBondContact O-N 3.18Å; S159-L163 VanDerWaalsContact O-N 3.16Å; L161-L163 PolarHBondContact O-N 2.89Å; L163-F165 PolarHBondContact O-N 3.4Å; L163-S201 WeakPolarHBondContact CD2-O 3.37Å
164	Q	90.3	Very high	84.3	Confident	91 Å²	91	58.9 Å²	58.9	43%	0.425	34%	0.34	S	S	.	.			trans	-82.2	58.9	-176.1	-66.2	173.7	11	0	0	111.7	N160 L161 A162 A174 M175	N160-Q164 WeakPolarHBondContact O-CG 3.42Å; L161-Q164 WeakPolarHBondContact O-CB 3.47Å; L161-Q164 PolarHBondContact O-N 2.83Å; L161-Q164 VanDerWaalsContact O-N 3.09Å; A162-Q164 VanDerWaalsContact C-N 3.28Å; A162-Q164 PolarHBondContact O-N 3.48Å; Q164-A174 WeakPolarHBondContact O-CA 3.4Å; Q164-M175 WeakPolarHBondContact O-CE 3.46Å; Q164-M175 PolarHBondContact O-N 3.06Å
165	F	87.9	Confident	83.7	Confident	26 Å²	26	61.2 Å²	61.2	11%	0.114	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-126	150.4	171.8	76.4	-88	0	0	0	111	V54 L63 V66 L163 M175 P178	V54-F165 HydrophobicContact CG1-CD2 3.6Å; V54-F165 HydrophobicContact CG1-CE2 3.96Å; L63-F165 HydrophobicContact CD1-CZ 4.27Å; V66-F165 HydrophobicContact CG2-CE1 4.16Å; V66-F165 HydrophobicContact CG2-CE2 4.47Å; V66-F165 HydrophobicContact CG2-CZ 3.58Å; L163-F165 PolarHBondContact O-N 3.4Å; F165-M175 CarbonylContact C-O 3.52Å; F165-M175 WeakPolarHBondContact CA-O 3.48Å; F165-M175 HydrophobicContact CB-CB 4.32Å; F165-M175 WeakPolarHBondContact CB-O 3.45Å; F165-P178 HydrophobicContact CD1-CB 4.03Å; F165-P178 HydrophobicContact CD2-CB 4.48Å; F165-P178 HydrophobicContact CE1-CB 4.12Å; F165-P178 HydrophobicContact CG-CB 4.22Å; F165-P178 HydrophobicContact CZ-CB 4.41Å
166	G	83.3	Confident	83.2	Confident	6 Å²	6	65.1 Å²	65.1	6%	0.062	38%	0.379	C	S	.	.	S	Bend	trans	168.9	-169.3	-178.3	0	0	0	0	0	112.9	M175	G166-M175 PolarHBondContact N-O 3.37Å
167	E	75.2	Confident	82.9	Confident	85 Å²	85	65.7 Å²	65.7	40%	0.397	38%	0.377	S	S	.	.			trans	-73.5	135.9	172.2	-58.5	-67.4	157.3	0	0	109.5	V54 D169 A170	V54-E167 PolarHBondContact N-OE1 3.13Å; E167-D169 PolarHBondContact O-N 3.44Å; E167-A170 PolarHBondContact O-N 3.41Å
168	E	65.1	Low	82.8	Confident	160 Å²	160	65.3 Å²	65.3	75%	0.748	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-29.5	-176.5	-78.1	-176	166.4	0	0	113.4	A170	E168-A170 VanDerWaalsContact C-N 3.25Å; E168-A170 PolarHBondContact O-N 3.03Å
169	D	64.1	Low	82.7	Confident	173 Å²	173	65.7 Å²	65.7	93%	0.925	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-17.9	-178.7	-66.4	-30.5	0	0	0	113.7	E167	E167-D169 PolarHBondContact O-N 3.44Å
170	A	62.6	Low	82.7	Confident	82 Å²	82	65.6 Å²	65.6	68%	0.678	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-33.2	-173.2	0	0	0	0	0	113.7	E167 E168	E167-A170 PolarHBondContact O-N 3.41Å; E168-A170 VanDerWaalsContact C-N 3.25Å; E168-A170 PolarHBondContact O-N 3.03Å
171	D	66.3	Low	82.8	Confident	83 Å²	83	61.8 Å²	61.8	44%	0.444	35%	0.354	S	S	.	.	S	Bend	trans	-150	108.1	-177.6	-172.3	10.3	0	0	0	111.3	G173 A174	D171-G173 PolarHBondContact O-N 3.26Å; D171-A174 HydrophobicContact CB-CB 3.95Å; D171-A174 WeakPolarHBondContact O-CB 3.29Å; D171-A174 PolarHBondContact O-N 2.5Å
172	P	64	Low	83	Confident	127 Å²	127	60.4 Å²	60.4	83%	0.825	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	100.4	179	-19.2	30.9	0	0	0	111.5
173	G	71.2	Confident	83.3	Confident	69 Å²	69	60.5 Å²	60.5	71%	0.711	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	119.8	-6.7	-178.3	0	0	0	0	0	114.4	D171	D171-G173 PolarHBondContact O-N 3.26Å
174	A	78.8	Confident	83.6	Confident	16 Å²	16	56.2 Å²	56.2	13%	0.132	33%	0.325	C	S	.	.			trans	-63.8	141.3	170.7	0	0	0	0	0	111.1	Q164 D171	Q164-A174 WeakPolarHBondContact O-CA 3.4Å; D171-A174 HydrophobicContact CB-CB 3.95Å; D171-A174 WeakPolarHBondContact O-CB 3.29Å; D171-A174 PolarHBondContact O-N 2.5Å
175	M	85.8	Confident	84	Confident	49 Å²	49	52 Å²	52	24%	0.241	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-72.8	146.8	175.1	-64.7	173	-73.5	0	0	110.5	Q164 F165 G166 R177 F179	Q164-M175 WeakPolarHBondContact O-CE 3.46Å; Q164-M175 PolarHBondContact O-N 3.06Å; F165-M175 CarbonylContact C-O 3.52Å; F165-M175 WeakPolarHBondContact CA-O 3.48Å; F165-M175 HydrophobicContact CB-CB 4.32Å; F165-M175 WeakPolarHBondContact CB-O 3.45Å; G166-M175 PolarHBondContact N-O 3.37Å; M175-R177 PolarHBondContact O-N 2.91Å; M175-F179 HydrophobicContact CE-CD2 3.8Å; M175-F179 HydrophobicContact CE-CE1 4.21Å; M175-F179 HydrophobicContact CE-CE2 3.06Å; M175-F179 HydrophobicContact CE-CZ 3.34Å; M175-F179 HydrophobicContact SD-CD1 4.29Å; M175-F179 HydrophobicContact SD-CD2 4.35Å; M175-F179 HydrophobicContact SD-CE1 3.55Å; M175-F179 VanDerWaalsContact SD-CE1 3.55Å; M175-F179 HydrophobicContact SD-CE2 3.6Å; M175-F179 VanDerWaalsContact SD-CE2 3.6Å; M175-F179 HydrophobicContact SD-CZ 3.16Å; M175-F179 WeakPolarHBondContact SD-CZ 3.45Å
176	S	88.1	Confident	84.5	Confident	83 Å²	83	50.7 Å²	50.7	58%	0.58	30%	0.3	S	S	*	.	S	Bend	trans	-70.4	-11.6	178.2	56.7	0	0	0	0	114	V54	V54-S176 WeakPolarHBondContact CG2-O 3.45Å
177	R	92.3	Very high	85.3	Confident	108 Å²	108	50.4 Å²	50.4	41%	0.408	30%	0.297	S	S	.	.	S	Bend	trans	-151.4	155.9	178.5	63	170.4	-176	80.1	-0.5	111.2	D126 M175	D126-R177 IonicContact OD1-CZ 3.62Å; D126-R177 IonicContact OD1-NH1 3.53Å; D126-R177 IonicContact OD1-NH2 3.93Å; D126-R177 PolarHBondContact OD1-NH2 2.73Å; D126-R177 IonicContact OD2-CZ 3.58Å; D126-R177 IonicContact OD2-NH1 3.19Å; D126-R177 PolarHBondContact OD2-NH1 2.87Å; D126-R177 IonicContact OD2-NH2 2.97Å; D126-R177 PolarHBondContact OD2-NH2 2.86Å; M175-R177 PolarHBondContact O-N 2.91Å
178	P	94.7	Very high	86.4	Confident	6 Å²	6	47.3 Å²	47.3	4%	0.039	28%	0.284	C	S	.	.			trans	-64.8	159.3	168.7	27.6	-34.5	0	0	0	111.7	Q65 A69 F165	Q65-P178 HydrophobicContact CB-CG 4.03Å; Q65-P178 WeakPolarHBondContact O-CG 3.41Å; A69-P178 HydrophobicContact CB-CB 4.35Å; A69-P178 HydrophobicContact CB-CG 4Å; F165-P178 HydrophobicContact CD1-CB 4.03Å; F165-P178 HydrophobicContact CD2-CB 4.48Å; F165-P178 HydrophobicContact CE1-CB 4.12Å; F165-P178 HydrophobicContact CG-CB 4.22Å; F165-P178 HydrophobicContact CZ-CB 4.41Å
179	F	96.5	Very high	87.9	Confident	8 Å²	8	40.6 Å²	40.6	4%	0.035	25%	0.253	C	S	.	.			trans	-71.3	132.9	172.6	-65	-75.3	0	0	0	110.8	D126 T129 L130 L161 A162 M175 V181 P200	D126-F179 HydrophobicContact CB-CB 4.23Å; D126-F179 HydrophobicContact CB-CD1 3.74Å; D126-F179 HydrophobicContact CB-CG 4.47Å; D126-F179 WeakPolarHBondContact OD2-CA 3.47Å; T129-F179 HydrophobicContact CG2-CE1 4.14Å; T129-F179 HydrophobicContact CG2-CZ 4.1Å; L130-F179 HydrophobicContact CD1-CB 4.25Å; L130-F179 HydrophobicContact CD1-CD2 4.19Å; L130-F179 HydrophobicContact CD1-CG 4.11Å; L130-F179 HydrophobicContact CD2-CD2 3.73Å; L130-F179 HydrophobicContact CD2-CE1 4.38Å; L130-F179 HydrophobicContact CD2-CE2 3.41Å; L130-F179 VanDerWaalsContact CD2-CE2 3.41Å; L130-F179 HydrophobicContact CD2-CG 4.31Å; L130-F179 HydrophobicContact CD2-CZ 3.76Å; L130-F179 HydrophobicContact CG-CD1 4.39Å; L130-F179 HydrophobicContact CG-CD2 4.19Å; L130-F179 HydrophobicContact CG-CE1 4.35Å; L130-F179 HydrophobicContact CG-CE2 4.15Å; L130-F179 HydrophobicContact CG-CG 4.28Å; L130-F179 HydrophobicContact CG-CZ 4.21Å; L161-F179 HydrophobicContact CG-CE2 4.24Å; L161-F179 HydrophobicContact CG-CZ 4.4Å; A162-F179 HydrophobicContact CB-CD2 3.94Å; A162-F179 HydrophobicContact CB-CE2 4.38Å; M175-F179 HydrophobicContact CE-CD2 3.8Å; M175-F179 HydrophobicContact CE-CE1 4.21Å; M175-F179 HydrophobicContact CE-CE2 3.06Å; M175-F179 HydrophobicContact CE-CZ 3.34Å; M175-F179 HydrophobicContact SD-CD1 4.29Å; M175-F179 HydrophobicContact SD-CD2 4.35Å; M175-F179 HydrophobicContact SD-CE1 3.55Å; M175-F179 VanDerWaalsContact SD-CE1 3.55Å; M175-F179 HydrophobicContact SD-CE2 3.6Å; M175-F179 VanDerWaalsContact SD-CE2 3.6Å; M175-F179 HydrophobicContact SD-CZ 3.16Å; M175-F179 WeakPolarHBondContact SD-CZ 3.45Å; F179-V181 VanDerWaalsContact C-N 3.27Å; F179-V181 HydrophobicContact CB-CG1 4.12Å; F179-V181 PolarHBondContact O-N 3.08Å; F179-P200 WeakPolarHBondContact O-CB 3.13Å; F179-P200 WeakPolarHBondContact O-CG 3.17Å
180	G	96.8	Very high	89.4	Confident	3 Å²	3	41.4 Å²	41.4	3%	0.031	25%	0.251	C	S	.	.			trans	-89.1	43.9	179.3	0	0	0	0	0	113.5	L123 D126	L123-G180 PolarHBondContact N-O 3.2Å; D126-G180 PolarHBondContact OD2-N 2.96Å
181	V	97.6	Very high	91	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.018	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	141.5	-173.7	67.7	0	0	0	0	111.6	M120 S121 D126 A127 L130 F179 L183	M120-V181 HydrophobicContact CB-CG2 4.25Å; S121-V181 WeakPolarHBondContact O-CA 3.3Å; S121-V181 VanDerWaalsContact O-CG2 3.27Å; S121-V181 WeakPolarHBondContact O-CG2 3.44Å; D126-V181 HydrophobicContact CB-CG1 4.21Å; A127-V181 HydrophobicContact CB-CG2 3.85Å; L130-V181 HydrophobicContact CD1-CG1 3.5Å; F179-V181 VanDerWaalsContact C-N 3.27Å; F179-V181 HydrophobicContact CB-CG1 4.12Å; F179-V181 PolarHBondContact O-N 3.08Å; V181-L183 HydrophobicContact CG2-CD2 3.98Å
182	A	98.2	Very high	92.4	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.008	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	145.5	164.4	0	0	0	0	0	110	I73 S121 M198 I212	I73-A182 HydrophobicContact CD1-CB 3.57Å; I73-A182 HydrophobicContact CG1-CB 4.14Å; I73-A182 HydrophobicContact CG2-CB 3.89Å; S121-A182 PolarHBondContact N-O 3.09Å; S121-A182 PolarHBondContact O-N 3.49Å; A182-M198 VanDerWaalsContact CA-O 3.29Å; A182-M198 WeakPolarHBondContact CA-O 3.22Å; A182-I212 HydrophobicContact CB-CB 4.39Å; A182-I212 HydrophobicContact CB-CD1 3.88Å; A182-I212 HydrophobicContact CB-CG2 4.23Å; A182-I212 WeakPolarHBondContact O-CD1 3.43Å
183	L	98.6	Very high	94.1	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	142.2	-177.8	-59.1	177.4	0	0	0	110.4	A119 M120 L130 V158 V181 F185 H197 M198	A119-L183 WeakPolarHBondContact O-CA 3.27Å; M120-L183 HydrophobicContact CB-CD2 3.65Å; L130-L183 HydrophobicContact CB-CD1 3.93Å; L130-L183 HydrophobicContact CD1-CD1 3.84Å; V158-L183 HydrophobicContact CG1-CD1 4.05Å; V181-L183 HydrophobicContact CG2-CD2 3.98Å; L183-F185 HydrophobicContact CB-CD2 4.21Å; L183-F185 HydrophobicContact CB-CE2 3.68Å; L183-F185 HydrophobicContact CB-CZ 4.25Å; L183-F185 HydrophobicContact CD1-CE2 3.8Å; L183-F185 HydrophobicContact CD1-CZ 3.7Å; L183-F185 HydrophobicContact CG-CE2 4.41Å; L183-H197 WeakPolarHBondContact O-CA 3.43Å; L183-M198 PolarHBondContact N-O 3.14Å; L183-M198 PolarHBondContact O-N 3.45Å
184	L	98.8	Very high	95.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	106	168.3	-64.1	178.8	0	0	0	108.5	A79 L90 C118 A119 L195 Y196 H197 R210 I212	A79-L184 HydrophobicContact CB-CD1 4.46Å; L90-L184 HydrophobicContact CD2-CB 4.16Å; C118-L184 CarbonylContact C-O 3.49Å; C118-L184 VanDerWaalsContact CA-O 3.32Å; C118-L184 WeakPolarHBondContact CA-O 3.42Å; A119-L184 HydrophobicContact CB-CB 4.27Å; A119-L184 PolarHBondContact N-O 3.3Å; A119-L184 PolarHBondContact O-N 3.16Å; L184-L195 HydrophobicContact CB-CD1 4.25Å; L184-Y196 CarbonylContact C-O 3.57Å; L184-Y196 VanDerWaalsContact CA-O 3.32Å; L184-Y196 WeakPolarHBondContact CA-O 3.18Å; L184-H197 HydrophobicContact CD2-CB 3.99Å; L184-R210 HydrophobicContact CD2-CB 3.95Å; L184-R210 HydrophobicContact CD2-CG 3.82Å; L184-I212 HydrophobicContact CD1-CD1 4.22Å; L184-I212 HydrophobicContact CD1-CG1 4.05Å; L184-I212 HydrophobicContact CD2-CG2 4.23Å; L184-I212 HydrophobicContact CG-CD1 3.84Å; L184-I212 HydrophobicContact CG-CG1 4.16Å
185	F	98.8	Very high	96.3	Very high	1 Å²	1	31.9 Å²	31.9	0%	0.004	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	116.7	173.7	-67.7	-86.2	0	0	0	109.2	I112 I116 C118 A134 V151 V154 T155 V158 L183 L195 Y196 M198	I112-F185 HydrophobicContact CG1-CE1 4.42Å; I116-F185 HydrophobicContact CG2-CD1 4.44Å; C118-F185 HydrophobicContact CB-CD1 4.07Å; C118-F185 HydrophobicContact CB-CE1 4.11Å; A134-F185 HydrophobicContact CB-CE1 4.33Å; V151-F185 HydrophobicContact CG1-CB 4.09Å; V154-F185 HydrophobicContact CG1-CD1 4.42Å; V154-F185 HydrophobicContact CG1-CE1 4.18Å; T155-F185 HydrophobicContact CG2-CD2 3.92Å; T155-F185 HydrophobicContact CG2-CE2 4.25Å; V158-F185 HydrophobicContact CB-CZ 4.22Å; V158-F185 HydrophobicContact CG1-CZ 4.16Å; V158-F185 HydrophobicContact CG2-CZ 4.01Å; L183-F185 HydrophobicContact CB-CD2 4.21Å; L183-F185 HydrophobicContact CB-CE2 3.68Å; L183-F185 HydrophobicContact CB-CZ 4.25Å; L183-F185 HydrophobicContact CD1-CE2 3.8Å; L183-F185 HydrophobicContact CD1-CZ 3.7Å; L183-F185 HydrophobicContact CG-CE2 4.41Å; F185-L195 CarbonylContact O-C 3.57Å; F185-L195 VanDerWaalsContact O-CA 3.29Å; F185-L195 WeakPolarHBondContact O-CA 3.43Å; F185-Y196 PolarHBondContact N-O 3.42Å; F185-Y196 PolarHBondContact O-N 3.14Å; F185-M198 HydrophobicContact CE2-CB 4.49Å; F185-M198 HydrophobicContact CE2-SD 4.43Å
186	G	98.7	Very high	97	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	125.1	175.4	0	0	0	0	0	109.9	G117	G117-G186 PolarHBondContact N-O 3.01Å; G117-G186 PolarHBondContact O-N 3.05Å; G117-G186 VanDerWaalsContact O-O 3.14Å
187	G	98.4	Very high	97.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	177.6	-179.3	0	0	0	0	0	113.3	H115 P193 Q194	H115-G187 CarbonylContact O-C 3.55Å; H115-G187 WeakPolarHBondContact O-CA 3.48Å; G187-P193 WeakPolarHBondContact O-CA 3.24Å; G187-Q194 PolarHBondContact N-O 3.15Å; G187-Q194 PolarHBondContact O-N 2.78Å
188	V	98.4	Very high	97.7	Very high	20 Å²	20	21.5 Å²	21.5	12%	0.121	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	119.6	176.3	-179.2	0	0	0	0	108.8	H115 P193 V262 P264	H115-V188 PolarHBondContact CD2-O 2.91Å; H115-V188 VanDerWaalsContact CD2-O 3.28Å; H115-V188 PolarHBondContact O-N 2.88Å; V188-P193 HydrophobicContact CG2-CB 4.14Å; V188-P193 HydrophobicContact CG2-CG 4.19Å; V188-V262 HydrophobicContact CB-CG1 4.14Å; V188-V262 HydrophobicContact CG2-CB 4.22Å; V188-V262 HydrophobicContact CG2-CG1 3.73Å; V188-P264 HydrophobicContact CG1-CB 4.22Å; V188-P264 HydrophobicContact CG1-CG 4.02Å
189	D	96.8	Very high	97.8	Very high	18 Å²	18	22.8 Å²	22.8	10%	0.096	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	-165.3	173.3	64.8	30.8	0	0	0	110.7	T150 V151 K191 G192 Q194	T150-D189 WeakPolarHBondContact CA-OD2 3.22Å; T150-D189 VanDerWaalsContact CB-OD2 3.28Å; T150-D189 WeakPolarHBondContact CB-OD2 3.48Å; V151-D189 PolarHBondContact N-OD2 2.62Å; D189-K191 PolarHBondContact O-N 3.48Å; D189-K191 VanDerWaalsContact O-N 3.14Å; D189-K191 WeakPolarHBondContact OD1-CA 3.5Å; D189-K191 VanDerWaalsContact OD1-CB 3.29Å; D189-K191 WeakPolarHBondContact OD1-CB 3.33Å; D189-K191 PolarHBondContact OD1-N 3.33Å; D189-G192 PolarHBondContact N-O 2.85Å; D189-G192 WeakPolarHBondContact O-CA 3.33Å; D189-G192 PolarHBondContact O-N 3.15Å; D189-Q194 PolarHBondContact OD2-OE1 2.93Å
190	E	95.3	Very high	97.7	Very high	190 Å²	190	22.5 Å²	22.5	89%	0.888	11%	0.114	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-23.9	-179.8	-58.7	-168.9	154.1	0	0	113.7
191	K	96.3	Very high	97.6	Very high	131 Å²	131	24 Å²	24	57%	0.57	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-1.6	175.8	-59.5	175.9	-179.5	-179.2	0	112.2	E152 D189	E152-K191 IonicContact OE2-NZ 2.71Å; E152-K191 PolarHBondContact OE2-NZ 2.9Å; D189-K191 PolarHBondContact O-N 3.48Å; D189-K191 VanDerWaalsContact O-N 3.14Å; D189-K191 WeakPolarHBondContact OD1-CA 3.5Å; D189-K191 VanDerWaalsContact OD1-CB 3.29Å; D189-K191 WeakPolarHBondContact OD1-CB 3.33Å; D189-K191 PolarHBondContact OD1-N 3.33Å
192	G	97.4	Very high	97.3	Very high	19 Å²	19	24 Å²	24	20%	0.196	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	94.7	-164	-177.8	0	0	0	0	0	113.4	D189 Q194	D189-G192 PolarHBondContact N-O 2.85Å; D189-G192 WeakPolarHBondContact O-CA 3.33Å; D189-G192 PolarHBondContact O-N 3.15Å; G192-Q194 PolarHBondContact O-N 2.97Å
193	P	98.4	Very high	97.1	Very high	19 Å²	19	27.5 Å²	27.5	12%	0.123	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	130.4	177.8	-19.6	32.6	0	0	0	112	Q83 T84 V88 G187 V188 P264	Q83-P193 HydrophobicContact CG-CB 4.27Å; Q83-P193 WeakPolarHBondContact CG-O 3.44Å; Q83-P193 PolarHBondContact NE2-O 3.39Å; T84-P193 WeakPolarHBondContact O-CB 3.45Å; T84-P193 WeakPolarHBondContact O-CG 3.43Å; V88-P193 HydrophobicContact CG2-CB 3.83Å; G187-P193 WeakPolarHBondContact O-CA 3.24Å; V188-P193 HydrophobicContact CG2-CB 4.14Å; V188-P193 HydrophobicContact CG2-CG 4.19Å; P193-P264 HydrophobicContact CG-CG 4.15Å
194	Q	98.5	Very high	97.1	Very high	8 Å²	8	29.8 Å²	29.8	4%	0.037	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	142.3	-178	-59.7	-170.3	-22.8	0	0	111.8	V88 V151 G187 D189 G192 Y196	V88-Q194 WeakPolarHBondContact CG2-O 3.46Å; V151-Q194 HydrophobicContact CB-CB 4.35Å; V151-Q194 HydrophobicContact CG2-CB 4.39Å; G187-Q194 PolarHBondContact N-O 3.15Å; G187-Q194 PolarHBondContact O-N 2.78Å; D189-Q194 PolarHBondContact OD2-OE1 2.93Å; G192-Q194 PolarHBondContact O-N 2.97Å; Q194-Y196 HydrophobicContact CB-CD2 4.4Å; Q194-Y196 HydrophobicContact CB-CE2 3.98Å
195	L	98.8	Very high	97	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	128.6	172.5	175	75.6	0	0	0	109.1	G81 Q83 V88 L90 L184 F185 Q206 C207 R210	G81-L195 VanDerWaalsContact C-CD2 3.43Å; G81-L195 WeakPolarHBondContact O-CD2 3.29Å; Q83-L195 HydrophobicContact CB-CB 3.94Å; V88-L195 HydrophobicContact CG1-CB 4.35Å; V88-L195 HydrophobicContact CG1-CD1 4.21Å; L90-L195 HydrophobicContact CD2-CD1 3.95Å; L184-L195 HydrophobicContact CB-CD1 4.25Å; F185-L195 CarbonylContact O-C 3.57Å; F185-L195 VanDerWaalsContact O-CA 3.29Å; F185-L195 WeakPolarHBondContact O-CA 3.43Å; L195-Q206 WeakPolarHBondContact O-CA 3.45Å; L195-C207 WeakPolarHBondContact CB-O 3.42Å; L195-C207 HydrophobicContact CD2-CB 4.34Å; L195-C207 PolarHBondContact O-N 3.06Å; L195-R210 HydrophobicContact CD2-CB 4.48Å
196	Y	98.8	Very high	97	Very high	7 Å²	7	38.3 Å²	38.3	3%	0.027	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	136.5	174.4	-75	-93.9	0	0	0	110.9	V151 E152 T155 L184 F185 Q194 F204 V205 Q206	V151-Y196 HydrophobicContact CB-CD2 4.29Å; V151-Y196 HydrophobicContact CB-CE2 4.28Å; V151-Y196 HydrophobicContact CG1-CD2 3.75Å; V151-Y196 HydrophobicContact CG1-CE2 4.24Å; E152-Y196 HydrophobicContact CB-CE1 4.4Å; E152-Y196 HydrophobicContact CB-CE2 4.09Å; E152-Y196 WeakPolarHBondContact CB-OH 3.31Å; E152-Y196 HydrophobicContact CG-CE1 4.21Å; T155-Y196 HydrophobicContact CG2-CG 4.39Å; L184-Y196 CarbonylContact C-O 3.57Å; L184-Y196 VanDerWaalsContact CA-O 3.32Å; L184-Y196 WeakPolarHBondContact CA-O 3.18Å; F185-Y196 PolarHBondContact N-O 3.42Å; F185-Y196 PolarHBondContact O-N 3.14Å; Q194-Y196 HydrophobicContact CB-CD2 4.4Å; Q194-Y196 HydrophobicContact CB-CE2 3.98Å; Y196-F204 AromaticContact CD1-CD2 3.85Å; Y196-F204 HydrophobicContact CD1-CD2 3.85Å; Y196-F204 HydrophobicContact CD1-CE2 4.43Å; Y196-F204 HydrophobicContact CE1-CD2 4.15Å; Y196-F204 HydrophobicContact CE1-CE2 4.3Å; Y196-V205 WeakPolarHBondContact CA-O 3.1Å; Y196-Q206 HydrophobicContact CD1-CB 3.95Å; Y196-Q206 HydrophobicContact CD1-CG 4.49Å; Y196-Q206 HydrophobicContact CE1-CB 3.53Å; Y196-Q206 HydrophobicContact CE1-CG 4.05Å; Y196-Q206 HydrophobicContact CE2-CG 4.18Å
197	H	98.5	Very high	97	Very high	12 Å²	12	39.2 Å²	39.2	6%	0.056	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	131.3	169.1	166.7	-92.8	0	0	0	109.4	L183 L184 D199 F204 V205 R210 I212	L183-H197 WeakPolarHBondContact O-CA 3.43Å; L184-H197 HydrophobicContact CD2-CB 3.99Å; H197-D199 IonicContact CE1-OD2 3.63Å; H197-F204 CarbonylContact O-C 3.6Å; H197-F204 WeakPolarHBondContact O-CA 3.27Å; H197-V205 PolarHBondContact N-O 2.67Å; H197-V205 PolarHBondContact O-N 3.14Å; H197-R210 HydrophobicContact CB-CG 4.06Å; H197-R210 PolarHBondContact CE1-NH2 3.42Å; H197-I212 VanDerWaalsContact CD2-CG2 3.49Å; H197-I212 WeakPolarHBondContact CD2-CG2 3.44Å
198	M	98	Very high	97	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.02	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	138	172	175.8	-174.7	157.4	0	0	109.7	T155 V158 A162 A182 L183 F185 T203 F204	T155-M198 HydrophobicContact CG2-CB 4.27Å; V158-M198 HydrophobicContact CB-SD 4.13Å; V158-M198 HydrophobicContact CG1-CE 4Å; V158-M198 HydrophobicContact CG1-SD 3.74Å; A162-M198 HydrophobicContact CB-CE 3.25Å; A182-M198 VanDerWaalsContact CA-O 3.29Å; A182-M198 WeakPolarHBondContact CA-O 3.22Å; L183-M198 PolarHBondContact N-O 3.14Å; L183-M198 PolarHBondContact O-N 3.45Å; F185-M198 HydrophobicContact CE2-CB 4.49Å; F185-M198 HydrophobicContact CE2-SD 4.43Å; M198-T203 WeakPolarHBondContact CA-O 3.4Å; M198-F204 HydrophobicContact CB-CB 4.16Å; M198-F204 HydrophobicContact CG-CB 4.48Å
199	D	96.1	Very high	97	Very high	33 Å²	33	42 Å²	42	18%	0.176	22%	0.223	C	C	.	.			trans	-120.6	171.7	176.8	71.4	38.2	0	0	0	112.5	H197 S201 G202 T203	H197-D199 IonicContact CE1-OD2 3.63Å; D199-S201 PolarHBondContact O-N 3.49Å; D199-S201 WeakPolarHBondContact OD1-CA 3.49Å; D199-S201 WeakPolarHBondContact OD1-CB 3.2Å; D199-S201 PolarHBondContact OD1-N 3.36Å; D199-S201 PolarHBondContact OD1-OG 3.28Å; D199-G202 PolarHBondContact O-N 3.27Å; D199-T203 PolarHBondContact N-O 3.5Å
200	P	94.9	Very high	97.1	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.006	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-16.4	-178.2	-33.3	41.3	0	0	0	115.7	A69 I73 F179 G202	A69-P200 HydrophobicContact CB-CB 3.61Å; A69-P200 HydrophobicContact CB-CG 3.93Å; I73-P200 HydrophobicContact CD1-CG 3.48Å; I73-P200 VanDerWaalsContact CD1-CG 3.48Å; I73-P200 HydrophobicContact CG1-CG 4.35Å; F179-P200 WeakPolarHBondContact O-CB 3.13Å; F179-P200 WeakPolarHBondContact O-CG 3.17Å; P200-G202 PolarHBondContact O-N 3.32Å
201	S	93.3	Very high	97.2	Very high	34 Å²	34	36.5 Å²	36.5	24%	0.238	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-7.4	175.8	76.6	0	0	0	0	112.5	L163 D199 T203	L163-S201 WeakPolarHBondContact CD2-O 3.37Å; D199-S201 PolarHBondContact O-N 3.49Å; D199-S201 WeakPolarHBondContact OD1-CA 3.49Å; D199-S201 WeakPolarHBondContact OD1-CB 3.2Å; D199-S201 PolarHBondContact OD1-N 3.36Å; D199-S201 PolarHBondContact OD1-OG 3.28Å; S201-T203 PolarHBondContact O-N 3.49Å; S201-T203 WeakPolarHBondContact OG-CB 3.46Å; S201-T203 PolarHBondContact OG-N 3.35Å; S201-T203 VanDerWaalsContact OG-N 3.13Å; S201-T203 PolarHBondContact OG-OG1 3.26Å
202	G	91.9	Very high	97.3	Very high	5 Å²	5	30.5 Å²	30.5	5%	0.052	17%	0.168	C	C	.	.	S	Bend	trans	78.2	-0.4	-169.3	0	0	0	0	0	112.7	S159 D199 P200	S159-G202 WeakPolarHBondContact CB-O 3.45Å; S159-G202 PolarHBondContact OG-O 3.27Å; D199-G202 PolarHBondContact O-N 3.27Å; P200-G202 PolarHBondContact O-N 3.32Å
203	T	95.5	Very high	97.3	Very high	73 Å²	73	29.6 Å²	29.6	45%	0.448	16%	0.159	S	C	.	.			trans	-73.8	134.6	173.4	-55.7	0	0	0	0	109.7	M198 D199 S201 V205	M198-T203 WeakPolarHBondContact CA-O 3.4Å; D199-T203 PolarHBondContact N-O 3.5Å; S201-T203 PolarHBondContact O-N 3.49Å; S201-T203 WeakPolarHBondContact OG-CB 3.46Å; S201-T203 PolarHBondContact OG-N 3.35Å; S201-T203 VanDerWaalsContact OG-N 3.13Å; S201-T203 PolarHBondContact OG-OG1 3.26Å; T203-V205 HydrophobicContact CG2-CG2 4.07Å
204	F	97.2	Very high	97.2	Very high	51 Å²	51	31.1 Å²	31.1	22%	0.224	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	144.9	168.9	70.2	-86.3	0	0	0	111.5	E152 T155 Q156 Y196 H197 M198	E152-F204 HydrophobicContact CG-CE2 4.33Å; T155-F204 HydrophobicContact CG2-CB 3.45Å; T155-F204 VanDerWaalsContact CG2-CB 3.45Å; T155-F204 HydrophobicContact CG2-CD2 3.82Å; T155-F204 HydrophobicContact CG2-CG 3.7Å; Q156-F204 HydrophobicContact CB-CE1 3.86Å; Q156-F204 HydrophobicContact CB-CZ 3.76Å; Q156-F204 HydrophobicContact CG-CE1 3.97Å; Q156-F204 HydrophobicContact CG-CZ 4.09Å; Y196-F204 AromaticContact CD1-CD2 3.85Å; Y196-F204 HydrophobicContact CD1-CD2 3.85Å; Y196-F204 HydrophobicContact CD1-CE2 4.43Å; Y196-F204 HydrophobicContact CE1-CD2 4.15Å; Y196-F204 HydrophobicContact CE1-CE2 4.3Å; H197-F204 CarbonylContact O-C 3.6Å; H197-F204 WeakPolarHBondContact O-CA 3.27Å; M198-F204 HydrophobicContact CB-CB 4.16Å; M198-F204 HydrophobicContact CG-CB 4.48Å
205	V	98	Very high	97	Very high	74 Å²	74	31.8 Å²	31.8	45%	0.448	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	130.4	-173.8	-173.2	0	0	0	0	109.9	Y196 H197 T203 C207	Y196-V205 WeakPolarHBondContact CA-O 3.1Å; H197-V205 PolarHBondContact N-O 2.67Å; H197-V205 PolarHBondContact O-N 3.14Å; T203-V205 HydrophobicContact CG2-CG2 4.07Å; V205-C207 PolarHBondContact O-SG 2.92Å; V205-C207 VanDerWaalsContact O-SG 3.4Å
206	Q	98.4	Very high	96.9	Very high	105 Å²	105	32.8 Å²	32.8	49%	0.491	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	130.6	170.7	-165.5	177.5	3.4	0	0	109.8	L195 Y196	L195-Q206 WeakPolarHBondContact O-CA 3.45Å; Y196-Q206 HydrophobicContact CD1-CB 3.95Å; Y196-Q206 HydrophobicContact CD1-CG 4.49Å; Y196-Q206 HydrophobicContact CE1-CB 3.53Å; Y196-Q206 HydrophobicContact CE1-CG 4.05Å; Y196-Q206 HydrophobicContact CE2-CG 4.18Å
207	C	97.7	Very high	96.8	Very high	20 Å²	20	39.1 Å²	39.1	14%	0.135	21%	0.214	C	C	.	.			trans	-128.1	142.5	-175	-63.6	0	0	0	0	110.7	L195 V205 R210	L195-C207 WeakPolarHBondContact CB-O 3.42Å; L195-C207 HydrophobicContact CD2-CB 4.34Å; L195-C207 PolarHBondContact O-N 3.06Å; V205-C207 PolarHBondContact O-SG 2.92Å; V205-C207 VanDerWaalsContact O-SG 3.4Å; C207-R210 HydrophobicContact CB-CB 4.16Å
208	D	98.3	Very high	96.7	Very high	62 Å²	62	40.4 Å²	40.4	33%	0.332	23%	0.23	S	C	.	.	S	Bend	trans	-74.5	-40.2	169.5	-80	-1.9	0	0	0	110.5	Q83 Y227 K229	Q83-D208 WeakPolarHBondContact CB-O 3.33Å; Q83-D208 PolarHBondContact N-O 3.23Å; D208-Y227 HydrophobicContact CB-CE1 3.71Å; D208-Y227 HydrophobicContact CB-CE2 4.36Å; D208-Y227 WeakPolarHBondContact CB-OH 3.17Å; D208-K229 WeakPolarHBondContact OD2-CE 3.15Å; D208-K229 IonicContact OD2-NZ 3.62Å
209	A	98.4	Very high	96.7	Very high	15 Å²	15	40.2 Å²	40.2	12%	0.124	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	145.6	170.8	0	0	0	0	0	110.3	G81 I82 L223 Y227	G81-A209 CarbonylContact O-C 3.58Å; G81-A209 VanDerWaalsContact O-CA 3.27Å; G81-A209 WeakPolarHBondContact O-CA 3.41Å; I82-A209 HydrophobicContact CG1-CB 4.24Å; I82-A209 HydrophobicContact CG2-CB 4.41Å; A209-L223 HydrophobicContact CB-CD1 4.44Å; A209-L223 HydrophobicContact CB-CD2 4.27Å; A209-Y227 HydrophobicContact CB-CD2 3.96Å; A209-Y227 HydrophobicContact CB-CE2 4.36Å; A209-Y227 HydrophobicContact CB-CG 4.35Å
210	R	98.5	Very high	96.8	Very high	88 Å²	88	40.5 Å²	40.5	33%	0.332	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	138.1	-177.6	-172.9	68	167.8	-179.1	-1.4	111.7	I80 G81 L184 L195 H197 C207 I212	I80-R210 WeakPolarHBondContact CA-O 3.49Å; G81-R210 PolarHBondContact N-O 3.41Å; G81-R210 PolarHBondContact O-N 3.18Å; L184-R210 HydrophobicContact CD2-CB 3.95Å; L184-R210 HydrophobicContact CD2-CG 3.82Å; L195-R210 HydrophobicContact CD2-CB 4.48Å; H197-R210 HydrophobicContact CB-CG 4.06Å; H197-R210 PolarHBondContact CE1-NH2 3.42Å; C207-R210 HydrophobicContact CB-CB 4.16Å; R210-I212 HydrophobicContact CG-CG2 4.3Å
211	A	98.5	Very high	96.9	Very high	5 Å²	5	43.4 Å²	43.4	4%	0.041	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	141.9	165.6	0	0	0	0	0	111.2	A79 I80 A219 Q220 L223	A79-A211 CarbonylContact O-C 3.48Å; A79-A211 VanDerWaalsContact O-CA 3.32Å; A79-A211 WeakPolarHBondContact O-CA 3.09Å; I80-A211 HydrophobicContact CG1-CB 4.18Å; A211-A219 HydrophobicContact CB-CB 3.63Å; A211-Q220 HydrophobicContact CB-CB 4.46Å; A211-L223 HydrophobicContact CB-CD1 3.99Å
212	I	98.3	Very high	97.1	Very high	6 Å²	6	43 Å²	43	3%	0.031	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	163.7	172.4	62.5	171	0	0	0	110.4	T78 A79 A182 L184 H197 R210	T78-I212 WeakPolarHBondContact CA-O 3.28Å; A79-I212 HydrophobicContact CB-CD1 4.29Å; A79-I212 HydrophobicContact CB-CG1 3.78Å; A79-I212 PolarHBondContact N-O 3.36Å; A79-I212 PolarHBondContact O-N 3.21Å; A182-I212 HydrophobicContact CB-CB 4.39Å; A182-I212 HydrophobicContact CB-CD1 3.88Å; A182-I212 HydrophobicContact CB-CG2 4.23Å; A182-I212 WeakPolarHBondContact O-CD1 3.43Å; L184-I212 HydrophobicContact CD1-CD1 4.22Å; L184-I212 HydrophobicContact CD1-CG1 4.05Å; L184-I212 HydrophobicContact CD2-CG2 4.23Å; L184-I212 HydrophobicContact CG-CD1 3.84Å; L184-I212 HydrophobicContact CG-CG1 4.16Å; H197-I212 VanDerWaalsContact CD2-CG2 3.49Å; H197-I212 WeakPolarHBondContact CD2-CG2 3.44Å; R210-I212 HydrophobicContact CG-CG2 4.3Å
213	G	97.2	Very high	97.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.245	C	C	.	.	S	Bend	trans	96.8	-168	-177.6	0	0	0	0	0	113.7	I73 S121 A215 S216	I73-G213 WeakPolarHBondContact O-CA 3.16Å; S121-G213 WeakPolarHBondContact OG-CA 3.49Å; G213-A215 PolarHBondContact O-N 3.39Å; G213-S216 WeakPolarHBondContact O-CB 3.28Å; G213-S216 PolarHBondContact O-N 3.33Å; G213-S216 PolarHBondContact O-OG 3.39Å
214	S	95.4	Very high	97.5	Very high	51 Å²	51	46.1 Å²	46.1	36%	0.357	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-35.4	-167.3	70.4	0	0	0	0	115.3	K74 G76 R95	K74-S214 WeakPolarHBondContact O-CA 3.45Å; K74-S214 WeakPolarHBondContact O-CB 3.49Å; G76-S214 WeakPolarHBondContact O-CB 3.08Å; G76-S214 PolarHBondContact O-N 2.92Å; G76-S214 PolarHBondContact O-OG 2.92Å; R95-S214 PolarHBondContact NH2-OG 3.2Å
215	A	95.4	Very high	97.5	Very high	21 Å²	21	51.6 Å²	51.6	17%	0.174	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102	21.8	179.4	0	0	0	0	0	112.6	T78 G213 E217 G218 A219 V247	T78-A215 HydrophobicContact CG2-CB 4.36Å; T78-A215 WeakPolarHBondContact OG1-CB 3.23Å; T78-A215 PolarHBondContact OG1-N 3.28Å; G213-A215 PolarHBondContact O-N 3.39Å; A215-E217 VanDerWaalsContact C-N 3.34Å; A215-E217 PolarHBondContact O-N 2.93Å; A215-G218 PolarHBondContact O-N 3.47Å; A215-A219 WeakPolarHBondContact O-CB 3.44Å; A215-A219 PolarHBondContact O-N 3.3Å; A215-V247 HydrophobicContact CB-CB 3.62Å; A215-V247 HydrophobicContact CB-CG1 4.37Å; A215-V247 HydrophobicContact CB-CG2 3.88Å
216	S	96.1	Very high	97.4	Very high	22 Å²	22	50.8 Å²	50.8	15%	0.154	28%	0.277	C	S	.	.	H	α-helix	trans	-59.9	-37.8	-177	52.9	0	0	0	0	113.4	G213 A219 Q220	G213-S216 WeakPolarHBondContact O-CB 3.28Å; G213-S216 PolarHBondContact O-N 3.33Å; G213-S216 PolarHBondContact O-OG 3.39Å; S216-A219 PolarHBondContact O-N 3.11Å; S216-Q220 WeakPolarHBondContact O-CA 3.37Å; S216-Q220 WeakPolarHBondContact O-CB 3.48Å; S216-Q220 PolarHBondContact O-N 3.07Å
217	E	96.2	Very high	97.4	Very high	139 Å²	139	48.1 Å²	48.1	65%	0.65	26%	0.263	S	S	*	.	H	α-helix	trans	-63.1	-46.7	-180	-66.2	-178.9	-178.2	0	0	112.2	A215 S221	A215-E217 VanDerWaalsContact C-N 3.34Å; A215-E217 PolarHBondContact O-N 2.93Å; E217-S221 PolarHBondContact O-N 2.91Å; E217-S221 VanDerWaalsContact O-N 3.14Å; E217-S221 PolarHBondContact O-OG 3.4Å
218	G	97.1	Very high	97.4	Very high	39 Å²	39	51.8 Å²	51.8	40%	0.402	28%	0.278	S	S	.	.	H	α-helix	trans	-66.3	-46.4	175.7	0	0	0	0	0	111.8	A215 Q220 S221 S222	A215-G218 PolarHBondContact O-N 3.47Å; G218-Q220 VanDerWaalsContact C-N 3.34Å; G218-Q220 PolarHBondContact O-N 2.68Å; G218-S221 PolarHBondContact O-N 3Å; G218-S222 PolarHBondContact O-N 2.73Å; G218-S222 VanDerWaalsContact O-N 3.09Å; G218-S222 PolarHBondContact O-OG 3.14Å
219	A	97.9	Very high	97.3	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-62.9	-39.4	178.2	0	0	0	0	0	112.6	T78 I80 A211 A215 S216 S221 S222 L223 I243 V247	T78-A219 HydrophobicContact CG2-CB 4.47Å; I80-A219 HydrophobicContact CD1-CB 4.13Å; A211-A219 HydrophobicContact CB-CB 3.63Å; A215-A219 WeakPolarHBondContact O-CB 3.44Å; A215-A219 PolarHBondContact O-N 3.3Å; S216-A219 PolarHBondContact O-N 3.11Å; A219-S221 VanDerWaalsContact C-N 3.33Å; A219-S221 PolarHBondContact O-N 2.88Å; A219-S222 PolarHBondContact O-N 2.88Å; A219-L223 WeakPolarHBondContact O-CB 3.19Å; A219-L223 VanDerWaalsContact O-CG 3.31Å; A219-L223 WeakPolarHBondContact O-CG 3.42Å; A219-L223 PolarHBondContact O-N 3.26Å; A219-I243 HydrophobicContact CB-CG2 3.65Å; A219-V247 HydrophobicContact CB-CG1 4.33Å
220	Q	98.1	Very high	97.2	Very high	39 Å²	39	60.2 Å²	60.2	18%	0.182	32%	0.321	C	S	.	.	H	α-helix	trans	-66	-37	177.9	-171.9	66.5	48.1	0	0	111.5	A211 S216 G218 L223 Q224	A211-Q220 HydrophobicContact CB-CB 4.46Å; S216-Q220 WeakPolarHBondContact O-CA 3.37Å; S216-Q220 WeakPolarHBondContact O-CB 3.48Å; S216-Q220 PolarHBondContact O-N 3.07Å; G218-Q220 VanDerWaalsContact C-N 3.34Å; G218-Q220 PolarHBondContact O-N 2.68Å; Q220-L223 PolarHBondContact O-N 3.27Å; Q220-Q224 WeakPolarHBondContact O-CG 3.39Å; Q220-Q224 PolarHBondContact O-N 3.38Å
221	S	98.1	Very high	97.1	Very high	62 Å²	62	56.4 Å²	56.4	43%	0.434	31%	0.307	S	S	.	.	H	α-helix	trans	-64.1	-48.5	174.8	-56.6	0	0	0	0	110.8	E217 G218 A219 L223 Q224 E225	E217-S221 PolarHBondContact O-N 2.91Å; E217-S221 VanDerWaalsContact O-N 3.14Å; E217-S221 PolarHBondContact O-OG 3.4Å; G218-S221 PolarHBondContact O-N 3Å; A219-S221 VanDerWaalsContact C-N 3.33Å; A219-S221 PolarHBondContact O-N 2.88Å; S221-L223 VanDerWaalsContact C-N 3.31Å; S221-L223 PolarHBondContact O-N 2.87Å; S221-Q224 WeakPolarHBondContact O-CB 3.37Å; S221-Q224 PolarHBondContact O-N 2.8Å; S221-E225 PolarHBondContact O-N 3.04Å
222	S	98	Very high	97.1	Very high	25 Å²	25	58.4 Å²	58.4	18%	0.175	32%	0.318	C	S	.	.	H	α-helix	trans	-60.8	-39.5	174.9	-58.3	0	0	0	0	112.3	G218 A219 Q224 E225 V226 Q246	G218-S222 PolarHBondContact O-N 2.73Å; G218-S222 VanDerWaalsContact O-N 3.09Å; G218-S222 PolarHBondContact O-OG 3.14Å; A219-S222 PolarHBondContact O-N 2.88Å; S222-Q224 VanDerWaalsContact C-N 3.33Å; S222-Q224 PolarHBondContact O-N 3.36Å; S222-E225 PolarHBondContact O-N 3.07Å; S222-V226 WeakPolarHBondContact O-CG2 3.4Å; S222-V226 PolarHBondContact O-N 3.37Å; S222-V226 VanDerWaalsContact O-N 3.16Å; S222-Q246 PolarHBondContact OG-OE1 3.21Å
223	L	97.4	Very high	97	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.01	32%	0.319	C	S	.	.	H	α-helix	trans	-60	-41.3	175.8	-79.8	171.9	0	0	0	112	I80 I82 A209 A211 A219 Q220 S221 E225 V226 Y227 I243	I80-L223 HydrophobicContact CG2-CD1 4.07Å; I80-L223 HydrophobicContact CG2-CD2 4.11Å; I82-L223 HydrophobicContact CD1-CD2 3.71Å; I82-L223 HydrophobicContact CG1-CD2 3.96Å; A209-L223 HydrophobicContact CB-CD1 4.44Å; A209-L223 HydrophobicContact CB-CD2 4.27Å; A211-L223 HydrophobicContact CB-CD1 3.99Å; A219-L223 WeakPolarHBondContact O-CB 3.19Å; A219-L223 VanDerWaalsContact O-CG 3.31Å; A219-L223 WeakPolarHBondContact O-CG 3.42Å; A219-L223 PolarHBondContact O-N 3.26Å; Q220-L223 PolarHBondContact O-N 3.27Å; S221-L223 VanDerWaalsContact C-N 3.31Å; S221-L223 PolarHBondContact O-N 2.87Å; L223-E225 PolarHBondContact O-N 3.26Å; L223-V226 PolarHBondContact O-N 3.14Å; L223-Y227 WeakPolarHBondContact O-CB 3.4Å; L223-Y227 PolarHBondContact O-N 2.88Å; L223-I243 HydrophobicContact CB-CD1 4.48Å; L223-I243 HydrophobicContact CD2-CD1 3.57Å; L223-I243 HydrophobicContact CG-CD1 3.77Å
224	Q	97.3	Very high	97	Very high	143 Å²	143	65.7 Å²	65.7	67%	0.668	35%	0.35	S	S	*	.	H	α-helix	trans	-63.1	-30.8	178.8	-74.9	172.8	-2.9	0	0	112.8	Q220 S221 S222	Q220-Q224 WeakPolarHBondContact O-CG 3.39Å; Q220-Q224 PolarHBondContact O-N 3.38Å; S221-Q224 WeakPolarHBondContact O-CB 3.37Å; S221-Q224 PolarHBondContact O-N 2.8Å; S222-Q224 VanDerWaalsContact C-N 3.33Å; S222-Q224 PolarHBondContact O-N 3.36Å
225	E	97.1	Very high	97.1	Very high	165 Å²	165	66.7 Å²	66.7	77%	0.771	35%	0.352	S	S	*	.	H	α-helix	trans	-79.3	-39.5	179.4	-65.8	-178.7	-179.4	0	0	112.7	S221 S222 L223	S221-E225 PolarHBondContact O-N 3.04Å; S222-E225 PolarHBondContact O-N 3.07Å; L223-E225 PolarHBondContact O-N 3.26Å
226	V	96.8	Very high	97.3	Very high	58 Å²	58	65.7 Å²	65.7	35%	0.352	34%	0.343	S	S	.	.	H	α-helix	trans	-94.7	-21	-172.6	-53.8	0	0	0	0	114	S222 L223 I243	S222-V226 WeakPolarHBondContact O-CG2 3.4Å; S222-V226 PolarHBondContact O-N 3.37Å; S222-V226 VanDerWaalsContact O-N 3.16Å; L223-V226 PolarHBondContact O-N 3.14Å; V226-I243 HydrophobicContact CG2-CD1 4Å
227	Y	97.9	Very high	97.4	Very high	49 Å²	49	65.1 Å²	65.1	19%	0.192	34%	0.339	C	S	.	.			trans	-75	136.9	-175.5	178.6	-94.4	0	0	0	112.1	I82 Q83 D208 A209 L223 K229	I82-Y227 HydrophobicContact CG2-CD2 4.04Å; I82-Y227 HydrophobicContact CG2-CE2 4.05Å; Q83-Y227 WeakPolarHBondContact O-CE2 3.38Å; Q83-Y227 PolarHBondContact O-OH 3.14Å; D208-Y227 HydrophobicContact CB-CE1 3.71Å; D208-Y227 HydrophobicContact CB-CE2 4.36Å; D208-Y227 WeakPolarHBondContact CB-OH 3.17Å; A209-Y227 HydrophobicContact CB-CD2 3.96Å; A209-Y227 HydrophobicContact CB-CE2 4.36Å; A209-Y227 HydrophobicContact CB-CG 4.35Å; L223-Y227 WeakPolarHBondContact O-CB 3.4Å; L223-Y227 PolarHBondContact O-N 2.88Å; Y227-K229 HydrophobicContact CE1-CG 4.36Å
228	H	97.2	Very high	97.4	Very high	97 Å²	97	63.1 Å²	63.1	45%	0.449	33%	0.328	S	S	.	.			trans	-150.8	151.9	165.9	55.8	49.1	0	0	0	110.8	S230 M231	H228-S230 PolarHBondContact ND1-OG 3.25Å; H228-S230 PolarHBondContact O-N 2.8Å; H228-M231 PolarHBondContact ND1-N 3.19Å; H228-M231 VanDerWaalsContact ND1-N 3.16Å; H228-M231 VanDerWaalsContact O-CB 3.28Å; H228-M231 WeakPolarHBondContact O-CB 3.12Å; H228-M231 PolarHBondContact O-N 3.47Å
229	K	95.7	Very high	97.5	Very high	155 Å²	155	62.3 Å²	62.3	67%	0.674	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-21.2	-172.8	-64.6	-160.8	172.4	-154.2	0	115.5	D208 Y227 M231	D208-K229 WeakPolarHBondContact OD2-CE 3.15Å; D208-K229 IonicContact OD2-NZ 3.62Å; Y227-K229 HydrophobicContact CE1-CG 4.36Å; K229-M231 VanDerWaalsContact C-N 3.33Å
230	S	96.3	Very high	97.5	Very high	98 Å²	98	62.3 Å²	62.3	69%	0.685	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	15.2	178.8	58.7	0	0	0	0	113.7	H228	H228-S230 PolarHBondContact ND1-OG 3.25Å; H228-S230 PolarHBondContact O-N 2.8Å
231	M	96.7	Very high	97.5	Very high	9 Å²	9	60.5 Å²	60.5	4%	0.044	31%	0.307	C	S	.	.			trans	-70	135.2	179.1	-167.4	173.2	-134.9	0	0	110.2	T84 H228 K229 D235 A236 S239	T84-M231 WeakPolarHBondContact CB-O 3.48Å; T84-M231 HydrophobicContact CG2-CB 4.44Å; H228-M231 PolarHBondContact ND1-N 3.19Å; H228-M231 VanDerWaalsContact ND1-N 3.16Å; H228-M231 VanDerWaalsContact O-CB 3.28Å; H228-M231 WeakPolarHBondContact O-CB 3.12Å; H228-M231 PolarHBondContact O-N 3.47Å; K229-M231 VanDerWaalsContact C-N 3.33Å; M231-D235 HydrophobicContact CE-CB 3.87Å; M231-D235 HydrophobicContact CG-CB 3.55Å; M231-D235 HydrophobicContact SD-CB 4.42Å; M231-A236 HydrophobicContact CG-CB 4.34Å; M231-A236 HydrophobicContact SD-CB 3.97Å; M231-S239 WeakPolarHBondContact CE-OG 3.43Å
232	T	98.2	Very high	97.5	Very high	46 Å²	46	59.8 Å²	59.8	28%	0.282	30%	0.3	S	S	.	.			trans	-74.5	160	172.1	68.5	0	0	0	0	110.1	E86 K234 D235 A236	E86-T232 WeakPolarHBondContact OE2-CA 3.43Å; E86-T232 WeakPolarHBondContact OE2-CB 3.43Å; T232-K234 PolarHBondContact O-N 3.16Å; T232-D235 PolarHBondContact O-N 3.31Å; T232-D235 WeakPolarHBondContact OG1-CB 3Å; T232-D235 PolarHBondContact OG1-N 3.33Å; T232-D235 VanDerWaalsContact OG1-N 3.09Å; T232-D235 PolarHBondContact OG1-OD2 2.93Å; T232-A236 PolarHBondContact O-N 3.11Å
233	L	97.9	Very high	97.4	Very high	9 Å²	9	58.8 Å²	58.8	5%	0.047	29%	0.293	C	S	.	.	H	α-helix	trans	-61.1	-36.6	175.7	-178.8	60.8	0	0	0	111.1	E86 C89 A236 I237 T261 E263	E86-L233 HydrophobicContact CB-CB 3.9Å; E86-L233 PolarHBondContact OE2-N 3.4Å; C89-L233 HydrophobicContact CB-CD1 4.06Å; L233-A236 PolarHBondContact O-N 3.23Å; L233-I237 HydrophobicContact CG-CD1 4.15Å; L233-I237 WeakPolarHBondContact O-CD1 2.94Å; L233-I237 VanDerWaalsContact O-CG1 3.28Å; L233-I237 WeakPolarHBondContact O-CG1 3.37Å; L233-I237 PolarHBondContact O-N 2.74Å; L233-T261 HydrophobicContact CD1-CG2 4.17Å; L233-T261 HydrophobicContact CD2-CG2 4.23Å; L233-T261 HydrophobicContact CG-CG2 4.42Å; L233-E263 HydrophobicContact CD2-CG 3.41Å; L233-E263 VanDerWaalsContact CD2-CG 3.41Å
234	K	97.3	Very high	97.4	Very high	150 Å²	150	58.7 Å²	58.7	65%	0.652	29%	0.293	S	S	*	.	H	α-helix	trans	-62.6	-44.1	176.1	-172.5	178.8	-179.4	178.8	0	111.9	T232 A236 I237 K238	T232-K234 PolarHBondContact O-N 3.16Å; K234-A236 VanDerWaalsContact C-N 3.34Å; K234-I237 PolarHBondContact O-N 2.72Å; K234-K238 PolarHBondContact O-N 2.94Å
235	D	97.3	Very high	97.4	Very high	72 Å²	72	56.6 Å²	56.6	39%	0.385	28%	0.281	S	S	.	.	H	α-helix	trans	-66	-39.8	176.7	-63.4	-36.9	0	0	0	110.8	M231 T232 K238 S239	M231-D235 HydrophobicContact CE-CB 3.87Å; M231-D235 HydrophobicContact CG-CB 3.55Å; M231-D235 HydrophobicContact SD-CB 4.42Å; T232-D235 PolarHBondContact O-N 3.31Å; T232-D235 WeakPolarHBondContact OG1-CB 3Å; T232-D235 PolarHBondContact OG1-N 3.33Å; T232-D235 VanDerWaalsContact OG1-N 3.09Å; T232-D235 PolarHBondContact OG1-OD2 2.93Å; D235-K238 PolarHBondContact O-N 3.05Å; D235-S239 WeakPolarHBondContact O-CB 3.44Å; D235-S239 PolarHBondContact O-N 3.34Å; D235-S239 PolarHBondContact O-OG 2.79Å
236	A	98.2	Very high	97.3	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.8	-45.7	176.4	0	0	0	0	0	111.9	I82 T84 M231 T232 L233 K234 K238 S239 S240	I82-A236 HydrophobicContact CB-CB 4.18Å; I82-A236 HydrophobicContact CD1-CB 4.42Å; I82-A236 HydrophobicContact CG2-CB 3.78Å; T84-A236 HydrophobicContact CG2-CB 3.58Å; M231-A236 HydrophobicContact CG-CB 4.34Å; M231-A236 HydrophobicContact SD-CB 3.97Å; T232-A236 PolarHBondContact O-N 3.11Å; L233-A236 PolarHBondContact O-N 3.23Å; K234-A236 VanDerWaalsContact C-N 3.34Å; A236-K238 VanDerWaalsContact C-N 3.35Å; A236-K238 PolarHBondContact O-N 3.46Å; A236-S239 PolarHBondContact O-N 2.99Å; A236-S240 WeakPolarHBondContact O-CB 3.48Å; A236-S240 PolarHBondContact O-N 3.11Å; A236-S240 PolarHBondContact O-OG 2.95Å
237	I	98.3	Very high	97.2	Very high	11 Å²	11	53.6 Å²	53.6	6%	0.056	27%	0.266	C	S	.	.	H	α-helix	trans	-58.3	-47	174	-68.5	161.1	0	0	0	110.9	C89 L233 K234 S239 S240 L241 L259 T261 Y271 V279	C89-I237 HydrophobicContact CB-CG1 4.23Å; L233-I237 HydrophobicContact CG-CD1 4.15Å; L233-I237 WeakPolarHBondContact O-CD1 2.94Å; L233-I237 VanDerWaalsContact O-CG1 3.28Å; L233-I237 WeakPolarHBondContact O-CG1 3.37Å; L233-I237 PolarHBondContact O-N 2.74Å; K234-I237 PolarHBondContact O-N 2.72Å; I237-S239 PolarHBondContact O-N 3.04Å; I237-S240 PolarHBondContact O-N 2.71Å; I237-S240 PolarHBondContact O-OG 3.28Å; I237-L241 HydrophobicContact CG2-CD1 4.14Å; I237-L241 WeakPolarHBondContact O-CG 3.47Å; I237-L241 PolarHBondContact O-N 3.09Å; I237-L241 VanDerWaalsContact O-N 3.12Å; I237-L259 HydrophobicContact CG2-CD1 4.36Å; I237-L259 HydrophobicContact CG2-CD2 3.63Å; I237-T261 HydrophobicContact CD1-CG2 3.93Å; I237-T261 HydrophobicContact CG1-CG2 4.26Å; I237-Y271 WeakPolarHBondContact CD1-OH 3.5Å; I237-V279 HydrophobicContact CG2-CG1 3.65Å
238	K	97.7	Very high	97	Very high	97 Å²	97	52.1 Å²	52.1	42%	0.422	26%	0.261	S	S	.	.	H	α-helix	trans	-62.7	-44.5	179.9	-175.2	170.1	-175.7	162	0	111.3	K234 D235 A236 T242 D282 I283	K234-K238 PolarHBondContact O-N 2.94Å; D235-K238 PolarHBondContact O-N 3.05Å; A236-K238 VanDerWaalsContact C-N 3.35Å; A236-K238 PolarHBondContact O-N 3.46Å; K238-T242 WeakPolarHBondContact O-CB 3.38Å; K238-T242 PolarHBondContact O-N 2.76Å; K238-T242 PolarHBondContact O-OG1 3.26Å; K238-D282 WeakPolarHBondContact CE-O 3.45Å; K238-D282 PolarHBondContact NZ-O 3.38Å; K238-I283 HydrophobicContact CG-CD1 4.44Å; K238-I283 HydrophobicContact CG-CG1 4.33Å; K238-I283 HydrophobicContact CG-CG2 4.5Å
239	S	97.8	Very high	96.5	Very high	22 Å²	22	56.1 Å²	56.1	15%	0.154	28%	0.28	C	S	.	.	H	α-helix	trans	-66.8	-42.9	179	-71.9	0	0	0	0	112.4	M231 D235 A236 I237 L241 T242 I243	M231-S239 WeakPolarHBondContact CE-OG 3.43Å; D235-S239 WeakPolarHBondContact O-CB 3.44Å; D235-S239 PolarHBondContact O-N 3.34Å; D235-S239 PolarHBondContact O-OG 2.79Å; A236-S239 PolarHBondContact O-N 2.99Å; I237-S239 PolarHBondContact O-N 3.04Å; S239-L241 VanDerWaalsContact C-N 3.33Å; S239-L241 PolarHBondContact O-N 2.94Å; S239-T242 PolarHBondContact O-N 2.98Å; S239-I243 WeakPolarHBondContact O-CB 3.49Å; S239-I243 WeakPolarHBondContact O-CG1 3.42Å; S239-I243 PolarHBondContact O-N 3.21Å
240	S	98.1	Very high	96.3	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.8	-43	177.4	60.7	0	0	0	0	111.7	A236 I237 I243 L244	A236-S240 WeakPolarHBondContact O-CB 3.48Å; A236-S240 PolarHBondContact O-N 3.11Å; A236-S240 PolarHBondContact O-OG 2.95Å; I237-S240 PolarHBondContact O-N 2.71Å; I237-S240 PolarHBondContact O-OG 3.28Å; S240-I243 PolarHBondContact O-N 2.85Å; S240-L244 WeakPolarHBondContact O-CG 3.36Å; S240-L244 PolarHBondContact O-N 3.2Å
241	L	97.9	Very high	96.1	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-72	-34.7	177.4	-65.4	-179.2	0	0	0	112.9	A91 I237 S239 I243 L244 K245 L252 I257 V279 I283	A91-L241 HydrophobicContact CB-CD2 4.33Å; I237-L241 HydrophobicContact CG2-CD1 4.14Å; I237-L241 WeakPolarHBondContact O-CG 3.47Å; I237-L241 PolarHBondContact O-N 3.09Å; I237-L241 VanDerWaalsContact O-N 3.12Å; S239-L241 VanDerWaalsContact C-N 3.33Å; S239-L241 PolarHBondContact O-N 2.94Å; L241-I243 VanDerWaalsContact C-N 3.34Å; L241-L244 HydrophobicContact CD2-CD1 4.34Å; L241-L244 PolarHBondContact O-N 3.15Å; L241-K245 VanDerWaalsContact O-CB 3.3Å; L241-K245 WeakPolarHBondContact O-CB 3.35Å; L241-K245 PolarHBondContact O-N 3.32Å; L241-L252 HydrophobicContact CB-CD1 4.49Å; L241-L252 HydrophobicContact CD2-CD1 4.45Å; L241-L252 WeakPolarHBondContact O-CD1 3.43Å; L241-I257 HydrophobicContact CD2-CD1 3.51Å; L241-V279 HydrophobicContact CD1-CB 4.5Å; L241-V279 HydrophobicContact CD1-CG1 3.45Å; L241-V279 VanDerWaalsContact CD1-CG1 3.45Å; L241-I283 HydrophobicContact CB-CD1 3.49Å; L241-I283 VanDerWaalsContact CB-CD1 3.49Å; L241-I283 HydrophobicContact CD1-CD1 3.56Å; L241-I283 HydrophobicContact CG-CD1 4.17Å
242	T	97.6	Very high	95.9	Very high	47 Å²	47	58.3 Å²	58.3	29%	0.288	28%	0.279	S	S	.	.	H	α-helix	trans	-62.8	-43.5	173.3	-57.8	0	0	0	0	110.8	K238 S239 K245 Q246 I283	K238-T242 WeakPolarHBondContact O-CB 3.38Å; K238-T242 PolarHBondContact O-N 2.76Å; K238-T242 PolarHBondContact O-OG1 3.26Å; S239-T242 PolarHBondContact O-N 2.98Å; T242-K245 WeakPolarHBondContact O-CB 3.49Å; T242-K245 PolarHBondContact O-N 3.33Å; T242-Q246 WeakPolarHBondContact O-CG 3.34Å; T242-Q246 PolarHBondContact O-N 3.22Å; T242-Q246 VanDerWaalsContact O-N 3.15Å; T242-I283 WeakPolarHBondContact OG1-CG2 3.38Å
243	I	97.9	Very high	95.7	Very high	4 Å²	4	58.9 Å²	58.9	2%	0.021	28%	0.28	C	S	.	.	H	α-helix	trans	-66.8	-45.6	177.8	-65.3	168.8	0	0	0	110.1	I80 A219 L223 V226 S239 S240 L241 K245 Q246 V247	I80-I243 HydrophobicContact CD1-CB 3.88Å; I80-I243 HydrophobicContact CD1-CG2 3.53Å; A219-I243 HydrophobicContact CB-CG2 3.65Å; L223-I243 HydrophobicContact CB-CD1 4.48Å; L223-I243 HydrophobicContact CD2-CD1 3.57Å; L223-I243 HydrophobicContact CG-CD1 3.77Å; V226-I243 HydrophobicContact CG2-CD1 4Å; S239-I243 WeakPolarHBondContact O-CB 3.49Å; S239-I243 WeakPolarHBondContact O-CG1 3.42Å; S239-I243 PolarHBondContact O-N 3.21Å; S240-I243 PolarHBondContact O-N 2.85Å; L241-I243 VanDerWaalsContact C-N 3.34Å; I243-K245 VanDerWaalsContact C-N 3.32Å; I243-K245 PolarHBondContact O-N 3.31Å; I243-Q246 WeakPolarHBondContact O-CB 3.4Å; I243-Q246 PolarHBondContact O-N 3.27Å; I243-V247 WeakPolarHBondContact O-CG2 3.47Å; I243-V247 PolarHBondContact O-N 2.6Å; I243-V247 VanDerWaalsContact O-N 3.15Å
244	L	96.9	Very high	95.5	Very high	0 Å²	0	59 Å²	59	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-55.5	-47	173.7	-77.2	180	0	0	0	111.5	T78 I80 A91 S240 L241 Q246 V247 M248 L252	T78-L244 HydrophobicContact CG2-CD2 4.01Å; I80-L244 HydrophobicContact CD1-CD2 3.95Å; I80-L244 HydrophobicContact CD1-CG 3.93Å; I80-L244 HydrophobicContact CG1-CD2 4.23Å; A91-L244 HydrophobicContact CB-CD1 3.79Å; S240-L244 WeakPolarHBondContact O-CG 3.36Å; S240-L244 PolarHBondContact O-N 3.2Å; L241-L244 HydrophobicContact CD2-CD1 4.34Å; L241-L244 PolarHBondContact O-N 3.15Å; L244-Q246 PolarHBondContact O-N 3.17Å; L244-Q246 VanDerWaalsContact O-N 3.17Å; L244-V247 PolarHBondContact O-N 3.45Å; L244-V247 VanDerWaalsContact O-N 3.08Å; L244-M248 HydrophobicContact CB-CG 4.5Å; L244-M248 HydrophobicContact CB-SD 3.93Å; L244-M248 VanDerWaalsContact O-CB 3.28Å; L244-M248 WeakPolarHBondContact O-CB 3.43Å; L244-M248 WeakPolarHBondContact O-CG 3.28Å; L244-M248 PolarHBondContact O-N 2.97Å; L244-L252 HydrophobicContact CB-CD1 4.12Å
245	K	96.1	Very high	95.3	Very high	99 Å²	99	54.3 Å²	54.3	43%	0.43	27%	0.267	S	S	.	.	H	α-helix	trans	-57	-30.6	176.4	-177.3	178.6	178	177.3	0	113.5	L241 T242 I243 L252 I283	L241-K245 VanDerWaalsContact O-CB 3.3Å; L241-K245 WeakPolarHBondContact O-CB 3.35Å; L241-K245 PolarHBondContact O-N 3.32Å; T242-K245 WeakPolarHBondContact O-CB 3.49Å; T242-K245 PolarHBondContact O-N 3.33Å; I243-K245 VanDerWaalsContact C-N 3.32Å; I243-K245 PolarHBondContact O-N 3.31Å; K245-L252 HydrophobicContact CB-CB 4.31Å; K245-L252 HydrophobicContact CB-CD1 4.07Å; K245-L252 HydrophobicContact CG-CB 4.46Å; K245-I283 PolarHBondContact NZ-O 3.5Å; K245-I283 PolarHBondContact NZ-OXT 3.36Å
246	Q	95.6	Very high	95.2	Very high	124 Å²	124	51 Å²	51	58%	0.579	25%	0.249	S	C	*	.	H	α-helix	trans	-78.1	-32.8	177.6	-71.1	170.8	-8.1	0	0	112.9	S222 T242 I243 L244	S222-Q246 PolarHBondContact OG-OE1 3.21Å; T242-Q246 WeakPolarHBondContact O-CG 3.34Å; T242-Q246 PolarHBondContact O-N 3.22Å; T242-Q246 VanDerWaalsContact O-N 3.15Å; I243-Q246 WeakPolarHBondContact O-CB 3.4Å; I243-Q246 PolarHBondContact O-N 3.27Å; L244-Q246 PolarHBondContact O-N 3.17Å; L244-Q246 VanDerWaalsContact O-N 3.17Å
247	V	95.1	Very high	95.1	Very high	36 Å²	36	51 Å²	51	22%	0.218	25%	0.249	C	C	.	.	H	α-helix	trans	-103	-14.7	-171.9	-56.3	0	0	0	0	114.2	T78 A215 A219 I243 L244	T78-V247 HydrophobicContact CG2-CG2 4.19Å; A215-V247 HydrophobicContact CB-CB 3.62Å; A215-V247 HydrophobicContact CB-CG1 4.37Å; A215-V247 HydrophobicContact CB-CG2 3.88Å; A219-V247 HydrophobicContact CB-CG1 4.33Å; I243-V247 WeakPolarHBondContact O-CG2 3.47Å; I243-V247 PolarHBondContact O-N 2.6Å; I243-V247 VanDerWaalsContact O-N 3.15Å; L244-V247 PolarHBondContact O-N 3.45Å; L244-V247 VanDerWaalsContact O-N 3.08Å
248	M	92.8	Very high	95	Very high	18 Å²	18	51.3 Å²	51.3	9%	0.089	25%	0.25	C	S	.	.			trans	-73	142.3	175.8	-75.1	171	64.6	0	0	111.6	E93 L244 L252 I257	E93-M248 HydrophobicContact CB-CG 4.3Å; E93-M248 HydrophobicContact CB-SD 4.39Å; E93-M248 HydrophobicContact CG-CE 4.06Å; E93-M248 HydrophobicContact CG-CG 3.91Å; E93-M248 HydrophobicContact CG-SD 4.22Å; L244-M248 HydrophobicContact CB-CG 4.5Å; L244-M248 HydrophobicContact CB-SD 3.93Å; L244-M248 VanDerWaalsContact O-CB 3.28Å; L244-M248 WeakPolarHBondContact O-CB 3.43Å; L244-M248 WeakPolarHBondContact O-CG 3.28Å; L244-M248 PolarHBondContact O-N 2.97Å; M248-L252 HydrophobicContact CE-CB 4.38Å; M248-L252 HydrophobicContact SD-CB 4.32Å; M248-L252 HydrophobicContact SD-CD1 4.1Å; M248-L252 HydrophobicContact SD-CG 4.37Å; M248-I257 HydrophobicContact CE-CG2 4.07Å; M248-I257 HydrophobicContact SD-CG2 4.06Å
249	E	88.3	Confident	95	Very high	182 Å²	182	46.7 Å²	46.7	85%	0.85	23%	0.23	S	C	*	.	S	Bend	trans	-72.6	-36.6	174.1	-62.9	-179	180	0	0	111.8
250	E	89.9	Confident	95.1	Very high	108 Å²	108	45.7 Å²	45.7	51%	0.505	22%	0.223	S	C	.	.	S	Bend	trans	-95.4	155.6	178.5	-65.7	-168.8	171.1	0	0	112.3	L252	E250-L252 PolarHBondContact O-N 3.1Å
251	K	92.3	Very high	95.1	Very high	185 Å²	185	45.8 Å²	45.8	80%	0.804	22%	0.224	S	C	*	.	P	Polyproline II helix	trans	-62.9	122.5	172.5	-174.7	179.8	176.9	-176.9	0	110.1	N253 N256	K251-N253 PolarHBondContact O-N 3.14Å; K251-N253 PolarHBondContact O-ND2 2.75Å; K251-N253 VanDerWaalsContact O-ND2 3.14Å; K251-N256 PolarHBondContact O-ND2 2.83Å
252	L	93.4	Very high	95.1	Very high	14 Å²	14	46 Å²	46	7%	0.073	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-55.5	131.3	175.1	-172.5	152.1	0	0	0	111.4	L241 L244 K245 M248 E250 I257 I280	L241-L252 HydrophobicContact CB-CD1 4.49Å; L241-L252 HydrophobicContact CD2-CD1 4.45Å; L241-L252 WeakPolarHBondContact O-CD1 3.43Å; L244-L252 HydrophobicContact CB-CD1 4.12Å; K245-L252 HydrophobicContact CB-CB 4.31Å; K245-L252 HydrophobicContact CB-CD1 4.07Å; K245-L252 HydrophobicContact CG-CB 4.46Å; M248-L252 HydrophobicContact CE-CB 4.38Å; M248-L252 HydrophobicContact SD-CB 4.32Å; M248-L252 HydrophobicContact SD-CD1 4.1Å; M248-L252 HydrophobicContact SD-CG 4.37Å; E250-L252 PolarHBondContact O-N 3.1Å; L252-I257 HydrophobicContact CD1-CD1 4.5Å; L252-I257 HydrophobicContact CD1-CG2 4.03Å; L252-I257 HydrophobicContact CD2-CD1 4.08Å; L252-I257 HydrophobicContact CG-CD1 4.35Å; L252-I257 HydrophobicContact CG-CG2 3.87Å; L252-I280 HydrophobicContact CD2-CB 4.43Å; L252-I280 HydrophobicContact CD2-CD1 3.64Å; L252-I280 HydrophobicContact CD2-CG1 3.57Å; L252-I280 HydrophobicContact CD2-CG2 3.99Å
253	N	94.1	Very high	95.1	Very high	58 Å²	58	46 Å²	46	31%	0.31	22%	0.222	S	C	.	.			trans	-153.9	168.1	174.8	66.1	71.2	0	0	0	110.1	K251 T255 N256	K251-N253 PolarHBondContact O-N 3.14Å; K251-N253 PolarHBondContact O-ND2 2.75Å; K251-N253 VanDerWaalsContact O-ND2 3.14Å; N253-T255 PolarHBondContact O-N 3.47Å; N253-T255 WeakPolarHBondContact OD1-CA 3.02Å; N253-T255 WeakPolarHBondContact OD1-CB 3.45Å; N253-T255 PolarHBondContact OD1-N 2.94Å; N253-T255 PolarHBondContact OD1-OG1 3.14Å; N253-N256 PolarHBondContact N-OD1 3.27Å; N253-N256 PolarHBondContact ND2-ND2 3.39Å; N253-N256 VanDerWaalsContact ND2-ND2 3.14Å; N253-N256 PolarHBondContact O-N 3.24Å; N253-N256 PolarHBondContact O-OD1 2.93Å; N253-N256 PolarHBondContact OD1-N 2.85Å
254	A	93.7	Very high	95.1	Very high	12 Å²	12	49.2 Å²	49.2	10%	0.099	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-5.9	-174.7	0	0	0	0	0	115.5	K273 L276 E277 I280	A254-K273 HydrophobicContact CB-CG 3.83Å; A254-L276 HydrophobicContact CB-CB 3.79Å; A254-E277 HydrophobicContact CB-CG 3.54Å; A254-I280 HydrophobicContact CB-CD1 4.11Å
255	T	92.8	Very high	94.9	Very high	51 Å²	51	53.7 Å²	53.7	31%	0.313	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-27.5	176.8	65.9	0	0	0	0	112.8	K94 I96 N253	K94-T255 VanDerWaalsContact CE-O 3.29Å; K94-T255 WeakPolarHBondContact CE-O 3.46Å; I96-T255 VanDerWaalsContact CD1-O 3.31Å; I96-T255 WeakPolarHBondContact CD1-O 3.44Å; N253-T255 PolarHBondContact O-N 3.47Å; N253-T255 WeakPolarHBondContact OD1-CA 3.02Å; N253-T255 WeakPolarHBondContact OD1-CB 3.45Å; N253-T255 PolarHBondContact OD1-N 2.94Å; N253-T255 PolarHBondContact OD1-OG1 3.14Å
256	N	94.1	Very high	94.8	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.011	29%	0.293	C	S	.	.	S	Bend	trans	-102.5	15.8	-176.7	71.7	2.1	0	0	0	114.2	K94 I96 K251 N253	K94-N256 PolarHBondContact N-O 2.84Å; I96-N256 HydrophobicContact CD1-CB 4.38Å; K251-N256 PolarHBondContact O-ND2 2.83Å; N253-N256 PolarHBondContact N-OD1 3.27Å; N253-N256 PolarHBondContact ND2-ND2 3.39Å; N253-N256 VanDerWaalsContact ND2-ND2 3.14Å; N253-N256 PolarHBondContact O-N 3.24Å; N253-N256 PolarHBondContact O-OD1 2.93Å; N253-N256 PolarHBondContact OD1-N 2.85Å
257	I	96	Very high	94.8	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	160	171.2	65.4	167.5	0	0	0	111.4	V92 L241 M248 L252 L276 I280	V92-I257 CarbonylContact O-C 3.55Å; V92-I257 VanDerWaalsContact O-CA 3.22Å; V92-I257 WeakPolarHBondContact O-CA 3.48Å; L241-I257 HydrophobicContact CD2-CD1 3.51Å; M248-I257 HydrophobicContact CE-CG2 4.07Å; M248-I257 HydrophobicContact SD-CG2 4.06Å; L252-I257 HydrophobicContact CD1-CD1 4.5Å; L252-I257 HydrophobicContact CD1-CG2 4.03Å; L252-I257 HydrophobicContact CD2-CD1 4.08Å; L252-I257 HydrophobicContact CG-CD1 4.35Å; L252-I257 HydrophobicContact CG-CG2 3.87Å; I257-L276 HydrophobicContact CD1-CD2 3.83Å; I257-L276 HydrophobicContact CG1-CD1 4.23Å; I257-L276 HydrophobicContact CG1-CD2 4.27Å; I257-I280 HydrophobicContact CD1-CD1 3.99Å; I257-I280 HydrophobicContact CD1-CG1 4.4Å
258	E	97.3	Very high	94.9	Very high	18 Å²	18	52.5 Å²	52.5	8%	0.084	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	145.6	163.6	-66.3	-174.9	161	0	0	109.2	A91 V92 K94 I106 K108 I109	A91-E258 CarbonylContact C-O 3.59Å; A91-E258 WeakPolarHBondContact CA-O 3.4Å; V92-E258 PolarHBondContact N-O 2.88Å; V92-E258 PolarHBondContact O-N 3.16Å; K94-E258 HydrophobicContact CD-CG 3.66Å; K94-E258 WeakPolarHBondContact CD-OE1 3.36Å; K94-E258 HydrophobicContact CG-CG 4.03Å; K94-E258 IonicContact NZ-OE1 2.94Å; K94-E258 PolarHBondContact NZ-OE1 3.48Å; I106-E258 VanDerWaalsContact O-OE1 3.07Å; K108-E258 WeakPolarHBondContact CA-OE2 3.44Å; K108-E258 PolarHBondContact N-OE2 2.78Å; I109-E258 HydrophobicContact CD1-CB 3.8Å; I109-E258 HydrophobicContact CG1-CB 4.08Å; I109-E258 PolarHBondContact N-OE2 2.81Å
259	L	98.2	Very high	95.2	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	132.7	177.1	-178.2	70.8	0	0	0	108.2	C89 L90 A91 I237 Y271 L276	C89-L259 WeakPolarHBondContact SG-CD1 3.43Å; L90-L259 CarbonylContact O-C 3.56Å; L90-L259 WeakPolarHBondContact O-CA 3.23Å; A91-L259 HydrophobicContact CB-CD1 3.85Å; I237-L259 HydrophobicContact CG2-CD1 4.36Å; I237-L259 HydrophobicContact CG2-CD2 3.63Å; L259-Y271 HydrophobicContact CB-CD2 4.29Å; L259-Y271 HydrophobicContact CB-CG 4.16Å; L259-Y271 HydrophobicContact CD2-CD1 3.67Å; L259-Y271 HydrophobicContact CD2-CD2 3.95Å; L259-Y271 HydrophobicContact CD2-CE1 3.76Å; L259-Y271 HydrophobicContact CD2-CE2 4.02Å; L259-Y271 HydrophobicContact CD2-CG 3.79Å; L259-Y271 HydrophobicContact CG-CD1 4.46Å; L259-Y271 HydrophobicContact CG-CD2 3.91Å; L259-Y271 HydrophobicContact CG-CE2 4.19Å; L259-Y271 HydrophobicContact CG-CG 4.08Å; L259-Y271 WeakPolarHBondContact O-CB 3.43Å; L259-Y271 PolarHBondContact O-N 2.83Å; L259-L276 HydrophobicContact CB-CD2 3.49Å; L259-L276 VanDerWaalsContact CB-CD2 3.49Å; L259-L276 HydrophobicContact CD2-CD2 4.01Å; L259-L276 HydrophobicContact CG-CD2 4.41Å
260	A	98.6	Very high	95.6	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.008	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	152.4	170.7	0	0	0	0	0	111.1	L90 I109 F268 H269 M270	L90-A260 PolarHBondContact N-O 3.44Å; L90-A260 PolarHBondContact O-N 3.17Å; I109-A260 HydrophobicContact CD1-CB 4.12Å; I109-A260 HydrophobicContact CG2-CB 3.78Å; A260-F268 HydrophobicContact CB-CE2 3.52Å; A260-F268 HydrophobicContact CB-CZ 3.53Å; A260-H269 CarbonylContact C-O 3.59Å; A260-H269 WeakPolarHBondContact CA-O 3.48Å; A260-H269 WeakPolarHBondContact CB-O 3.46Å; A260-M270 HydrophobicContact CB-SD 4.15Å
261	T	98.6	Very high	96	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.012	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	152.5	173.9	56.5	0	0	0	0	111.8	V88 L233 I237 H269 Y271	V88-T261 VanDerWaalsContact O-CA 3.23Å; V88-T261 WeakPolarHBondContact O-CA 3.3Å; L233-T261 HydrophobicContact CD1-CG2 4.17Å; L233-T261 HydrophobicContact CD2-CG2 4.23Å; L233-T261 HydrophobicContact CG-CG2 4.42Å; I237-T261 HydrophobicContact CD1-CG2 3.93Å; I237-T261 HydrophobicContact CG1-CG2 4.26Å; T261-H269 PolarHBondContact N-O 3.37Å; T261-H269 PolarHBondContact O-N 3.25Å; T261-Y271 HydrophobicContact CG2-CE2 3.73Å
262	V	98	Very high	96.2	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.018	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	122.9	167	-168	0	0	0	0	107.9	G87 V88 H115 V188 F268	G87-V262 CarbonylContact C-O 3.54Å; G87-V262 WeakPolarHBondContact CA-O 3.18Å; V88-V262 PolarHBondContact N-O 2.84Å; V88-V262 PolarHBondContact O-N 3.04Å; H115-V262 WeakPolarHBondContact O-CG1 3.27Å; V188-V262 HydrophobicContact CB-CG1 4.14Å; V188-V262 HydrophobicContact CG2-CB 4.22Å; V188-V262 HydrophobicContact CG2-CG1 3.73Å; V262-F268 HydrophobicContact CG2-CB 4.45Å; V262-F268 HydrophobicContact CG2-CD2 3.77Å
263	E	97.7	Very high	96.2	Very high	49 Å²	49	45 Å²	45	23%	0.229	26%	0.256	C	S	.	.			trans	-121	148	-176.7	-69.2	176.2	-106.3	0	0	110.6	L233 G265 K266	L233-E263 HydrophobicContact CD2-CG 3.41Å; L233-E263 VanDerWaalsContact CD2-CG 3.41Å; E263-G265 PolarHBondContact O-N 3Å; E263-K266 HydrophobicContact CB-CB 4.23Å; E263-K266 HydrophobicContact CB-CD 4.08Å; E263-K266 HydrophobicContact CB-CG 4.35Å; E263-K266 PolarHBondContact O-N 2.89Å; E263-K266 VanDerWaalsContact O-N 3.09Å; E263-K266 IonicContact OE1-NZ 2.86Å; E263-K266 PolarHBondContact OE1-NZ 3.37Å; E263-K266 IonicContact OE2-NZ 2.75Å; E263-K266 PolarHBondContact OE2-NZ 3.47Å
264	P	96.6	Very high	96.3	Very high	71 Å²	71	47.9 Å²	47.9	46%	0.461	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	127.1	172.4	-23.9	33.6	0	0	0	112.5	E86 V188 P193 K266	E86-P264 WeakPolarHBondContact O-CD 3.41Å; V188-P264 HydrophobicContact CG1-CB 4.22Å; V188-P264 HydrophobicContact CG1-CG 4.02Å; P193-P264 HydrophobicContact CG-CG 4.15Å; P264-K266 VanDerWaalsContact C-N 3.26Å; P264-K266 PolarHBondContact O-N 2.87Å
265	G	92.9	Very high	96.4	Very high	93 Å²	93	50.7 Å²	50.7	96%	0.959	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	2.7	179.1	0	0	0	0	0	115.2	E263	E263-G265 PolarHBondContact O-N 3Å
266	K	94.3	Very high	96.6	Very high	119 Å²	119	48.5 Å²	48.5	52%	0.517	27%	0.265	S	S	.	.	S	Bend	trans	-116.9	157.6	170.3	-60.6	-176.8	-171.9	161.4	0	110	E263 P264	E263-K266 HydrophobicContact CB-CB 4.23Å; E263-K266 HydrophobicContact CB-CD 4.08Å; E263-K266 HydrophobicContact CB-CG 4.35Å; E263-K266 PolarHBondContact O-N 2.89Å; E263-K266 VanDerWaalsContact O-N 3.09Å; E263-K266 IonicContact OE1-NZ 2.86Å; E263-K266 PolarHBondContact OE1-NZ 3.37Å; E263-K266 IonicContact OE2-NZ 2.75Å; E263-K266 PolarHBondContact OE2-NZ 3.47Å; P264-K266 VanDerWaalsContact C-N 3.26Å; P264-K266 PolarHBondContact O-N 2.87Å
267	T	95.3	Very high	96.7	Very high	95 Å²	95	52.3 Å²	52.3	58%	0.583	28%	0.283	S	S	*	.			trans	-78.7	163.8	169	56.6	0	0	0	0	110.3	S114 H269	S114-T267 CarbonylContact O-C 3.59Å; S114-T267 WeakPolarHBondContact O-CA 3.45Å; T267-H269 PolarHBondContact O-N 2.71Å
268	F	97.9	Very high	96.6	Very high	21 Å²	21	56.8 Å²	56.8	9%	0.092	31%	0.306	C	S	.	.			trans	-45.3	128.1	168.3	173.7	-93.7	0	0	0	110.3	I109 E111 S114 A260 V262 M270	I109-F268 HydrophobicContact CG2-CE2 4.19Å; I109-F268 HydrophobicContact CG2-CZ 3.93Å; E111-F268 HydrophobicContact CB-CD1 3.77Å; E111-F268 HydrophobicContact CB-CE1 3.89Å; E111-F268 HydrophobicContact CB-CG 4.38Å; E111-F268 HydrophobicContact CG-CB 4.26Å; E111-F268 HydrophobicContact CG-CD1 3.82Å; E111-F268 HydrophobicContact CG-CE1 4.44Å; E111-F268 HydrophobicContact CG-CG 4.11Å; S114-F268 PolarHBondContact O-N 3.38Å; A260-F268 HydrophobicContact CB-CE2 3.52Å; A260-F268 HydrophobicContact CB-CZ 3.53Å; V262-F268 HydrophobicContact CG2-CB 4.45Å; V262-F268 HydrophobicContact CG2-CD2 3.77Å; F268-M270 HydrophobicContact CE1-CB 4.03Å; F268-M270 HydrophobicContact CE1-CE 4.36Å; F268-M270 HydrophobicContact CZ-CB 4.49Å; F268-M270 HydrophobicContact CZ-CE 4.06Å
269	H	98.3	Very high	96.5	Very high	68 Å²	68	57.5 Å²	57.5	32%	0.315	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	111.7	-179.1	-175.1	64.4	0	0	0	109.9	A260 T261 T267 Y271 E275	A260-H269 CarbonylContact C-O 3.59Å; A260-H269 WeakPolarHBondContact CA-O 3.48Å; A260-H269 WeakPolarHBondContact CB-O 3.46Å; T261-H269 PolarHBondContact N-O 3.37Å; T261-H269 PolarHBondContact O-N 3.25Å; T267-H269 PolarHBondContact O-N 2.71Å; H269-Y271 AromaticContact CD2-CD2 3.67Å; H269-Y271 AromaticContact CD2-CE2 3.68Å; H269-E275 IonicContact CE1-OE1 3.28Å; H269-E275 IonicContact CE1-OE2 2.89Å; H269-E275 IonicContact NE2-OE1 3.66Å; H269-E275 PolarHBondContact NE2-OE1 3.49Å; H269-E275 IonicContact NE2-OE2 3.31Å; H269-E275 PolarHBondContact NE2-OE2 3.37Å
270	M	97.8	Very high	96.3	Very high	68 Å²	68	58.9 Å²	58.9	34%	0.335	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	125.5	167.8	-177.8	68.1	78.7	0	0	108.8	I109 A260 F268	I109-M270 HydrophobicContact CB-CE 3.65Å; I109-M270 HydrophobicContact CB-SD 4.46Å; I109-M270 HydrophobicContact CG2-CE 3.92Å; I109-M270 VanDerWaalsContact O-CE 3.27Å; I109-M270 WeakPolarHBondContact O-CE 3.47Å; A260-M270 HydrophobicContact CB-SD 4.15Å; F268-M270 HydrophobicContact CE1-CB 4.03Å; F268-M270 HydrophobicContact CE1-CE 4.36Å; F268-M270 HydrophobicContact CZ-CB 4.49Å; F268-M270 HydrophobicContact CZ-CE 4.06Å
271	Y	97.4	Very high	96	Very high	44 Å²	44	65.6 Å²	65.6	17%	0.173	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-68.8	136.1	-178.5	-81.8	-121.9	0	0	0	111.1	I237 L259 T261 H269 E275 V279	I237-Y271 WeakPolarHBondContact CD1-OH 3.5Å; L259-Y271 HydrophobicContact CB-CD2 4.29Å; L259-Y271 HydrophobicContact CB-CG 4.16Å; L259-Y271 HydrophobicContact CD2-CD1 3.67Å; L259-Y271 HydrophobicContact CD2-CD2 3.95Å; L259-Y271 HydrophobicContact CD2-CE1 3.76Å; L259-Y271 HydrophobicContact CD2-CE2 4.02Å; L259-Y271 HydrophobicContact CD2-CG 3.79Å; L259-Y271 HydrophobicContact CG-CD1 4.46Å; L259-Y271 HydrophobicContact CG-CD2 3.91Å; L259-Y271 HydrophobicContact CG-CE2 4.19Å; L259-Y271 HydrophobicContact CG-CG 4.08Å; L259-Y271 WeakPolarHBondContact O-CB 3.43Å; L259-Y271 PolarHBondContact O-N 2.83Å; T261-Y271 HydrophobicContact CG2-CE2 3.73Å; H269-Y271 AromaticContact CD2-CD2 3.67Å; H269-Y271 AromaticContact CD2-CE2 3.68Å; Y271-E275 VanDerWaalsContact CA-OE2 3.27Å; Y271-E275 WeakPolarHBondContact CA-OE2 3.49Å; Y271-E275 HydrophobicContact CD1-CB 3.67Å; Y271-E275 HydrophobicContact CE1-CB 4.38Å; Y271-E275 HydrophobicContact CG-CB 4.36Å; Y271-V279 HydrophobicContact CE1-CG2 4.05Å
272	T	96.2	Very high	95.3	Very high	64 Å²	64	70.4 Å²	70.4	39%	0.393	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-74.8	167.6	170.5	83.3	0	0	0	0	111	E274 E275 L276	T272-E274 WeakPolarHBondContact CB-OE2 3.4Å; T272-E274 PolarHBondContact O-N 3.26Å; T272-E274 PolarHBondContact OG1-N 2.96Å; T272-E274 PolarHBondContact OG1-OE2 3.33Å; T272-E275 PolarHBondContact N-OE2 3.35Å; T272-E275 PolarHBondContact O-N 2.91Å; T272-E275 PolarHBondContact OG1-N 3.41Å; T272-L276 WeakPolarHBondContact O-CB 3.32Å; T272-L276 WeakPolarHBondContact O-CG 3.3Å; T272-L276 PolarHBondContact O-N 3.27Å
273	K	94.3	Very high	94.6	Very high	104 Å²	104	73 Å²	73	45%	0.452	39%	0.387	S	S	.	.	H	α-helix	trans	-57.8	-40.9	175.8	-173.2	-176.7	174.5	-172.1	0	111.7	A254 L276 E277	A254-K273 HydrophobicContact CB-CG 3.83Å; K273-L276 PolarHBondContact O-N 3.13Å; K273-E277 VanDerWaalsContact CE-OE1 3.25Å; K273-E277 WeakPolarHBondContact CE-OE1 3.34Å; K273-E277 WeakPolarHBondContact O-CG 3.48Å; K273-E277 PolarHBondContact O-N 3.2Å
274	E	95.9	Very high	94.5	Very high	120 Å²	120	74.2 Å²	74.2	56%	0.561	40%	0.395	S	S	*	.	H	α-helix	trans	-65.8	-44.3	-179.8	-59.9	72.2	-155.5	0	0	111.2	T272 L276 E277 D278	T272-E274 WeakPolarHBondContact CB-OE2 3.4Å; T272-E274 PolarHBondContact O-N 3.26Å; T272-E274 PolarHBondContact OG1-N 2.96Å; T272-E274 PolarHBondContact OG1-OE2 3.33Å; E274-L276 VanDerWaalsContact C-N 3.34Å; E274-L276 PolarHBondContact O-N 3.23Å; E274-E277 PolarHBondContact O-N 3.43Å; E274-D278 PolarHBondContact O-N 3.32Å
275	E	96.6	Very high	94.4	Very high	70 Å²	70	74.4 Å²	74.4	33%	0.327	39%	0.391	S	S	.	.	H	α-helix	trans	-63.2	-41.7	176.6	-64.1	177.5	141	0	0	111.3	H269 Y271 T272 D278 V279	H269-E275 IonicContact CE1-OE1 3.28Å; H269-E275 IonicContact CE1-OE2 2.89Å; H269-E275 IonicContact NE2-OE1 3.66Å; H269-E275 PolarHBondContact NE2-OE1 3.49Å; H269-E275 IonicContact NE2-OE2 3.31Å; H269-E275 PolarHBondContact NE2-OE2 3.37Å; Y271-E275 VanDerWaalsContact CA-OE2 3.27Å; Y271-E275 WeakPolarHBondContact CA-OE2 3.49Å; Y271-E275 HydrophobicContact CD1-CB 3.67Å; Y271-E275 HydrophobicContact CE1-CB 4.38Å; Y271-E275 HydrophobicContact CG-CB 4.36Å; T272-E275 PolarHBondContact N-OE2 3.35Å; T272-E275 PolarHBondContact O-N 2.91Å; T272-E275 PolarHBondContact OG1-N 3.41Å; E275-D278 PolarHBondContact O-N 3.07Å; E275-V279 WeakPolarHBondContact O-CG2 3.41Å; E275-V279 PolarHBondContact O-N 3.06Å
276	L	96	Very high	94.4	Very high	6 Å²	6	73.3 Å²	73.3	3%	0.031	36%	0.36	C	S	.	.	H	α-helix	trans	-60.7	-46.2	173.4	-77.6	175.3	0	0	0	111.7	A254 I257 L259 T272 K273 E274 D278 V279 I280	A254-L276 HydrophobicContact CB-CB 3.79Å; I257-L276 HydrophobicContact CD1-CD2 3.83Å; I257-L276 HydrophobicContact CG1-CD1 4.23Å; I257-L276 HydrophobicContact CG1-CD2 4.27Å; L259-L276 HydrophobicContact CB-CD2 3.49Å; L259-L276 VanDerWaalsContact CB-CD2 3.49Å; L259-L276 HydrophobicContact CD2-CD2 4.01Å; L259-L276 HydrophobicContact CG-CD2 4.41Å; T272-L276 WeakPolarHBondContact O-CB 3.32Å; T272-L276 WeakPolarHBondContact O-CG 3.3Å; T272-L276 PolarHBondContact O-N 3.27Å; K273-L276 PolarHBondContact O-N 3.13Å; E274-L276 VanDerWaalsContact C-N 3.34Å; E274-L276 PolarHBondContact O-N 3.23Å; L276-D278 VanDerWaalsContact C-N 3.27Å; L276-D278 PolarHBondContact O-N 3.09Å; L276-V279 PolarHBondContact O-N 3.11Å; L276-I280 HydrophobicContact CB-CD1 4.44Å; L276-I280 WeakPolarHBondContact O-CB 3.37Å; L276-I280 WeakPolarHBondContact O-CD1 3.24Å; L276-I280 WeakPolarHBondContact O-CG1 3.12Å; L276-I280 PolarHBondContact O-N 3.49Å
277	E	95.8	Very high	94.4	Very high	82 Å²	82	70.6 Å²	70.6	38%	0.383	35%	0.351	S	S	.	.	H	α-helix	trans	-59.2	-38.9	178	-76.4	179.4	-176.4	0	0	112.1	A254 K273 E274 K281	A254-E277 HydrophobicContact CB-CG 3.54Å; K273-E277 VanDerWaalsContact CE-OE1 3.25Å; K273-E277 WeakPolarHBondContact CE-OE1 3.34Å; K273-E277 WeakPolarHBondContact O-CG 3.48Å; K273-E277 PolarHBondContact O-N 3.2Å; E274-E277 PolarHBondContact O-N 3.43Å; E277-K281 WeakPolarHBondContact O-CE 3.32Å; E277-K281 VanDerWaalsContact O-CG 3.28Å; E277-K281 WeakPolarHBondContact O-CG 3.45Å; E277-K281 PolarHBondContact O-N 3.41Å
278	D	95.4	Very high	94.4	Very high	94 Å²	94	69.1 Å²	69.1	50%	0.503	34%	0.336	S	S	.	.	H	α-helix	trans	-67.6	-43.6	176.8	-76.6	-17	0	0	0	112.3	E274 E275 L276 K281	E274-D278 PolarHBondContact O-N 3.32Å; E275-D278 PolarHBondContact O-N 3.07Å; L276-D278 VanDerWaalsContact C-N 3.27Å; L276-D278 PolarHBondContact O-N 3.09Å; D278-K281 PolarHBondContact O-N 3.04Å; D278-K281 IonicContact OD1-NZ 3.25Å; D278-K281 PolarHBondContact OD1-NZ 3.08Å
279	V	94.8	Very high	94.2	Very high	33 Å²	33	72.3 Å²	72.3	20%	0.2	35%	0.352	C	S	.	.	H	α-helix	trans	-64	-42.3	176.1	174.4	0	0	0	0	111.1	I237 L241 Y271 E275 L276 K281 D282 I283	I237-V279 HydrophobicContact CG2-CG1 3.65Å; L241-V279 HydrophobicContact CD1-CB 4.5Å; L241-V279 HydrophobicContact CD1-CG1 3.45Å; L241-V279 VanDerWaalsContact CD1-CG1 3.45Å; Y271-V279 HydrophobicContact CE1-CG2 4.05Å; E275-V279 WeakPolarHBondContact O-CG2 3.41Å; E275-V279 PolarHBondContact O-N 3.06Å; L276-V279 PolarHBondContact O-N 3.11Å; V279-K281 VanDerWaalsContact C-N 3.3Å; V279-K281 PolarHBondContact O-N 2.69Å; V279-D282 PolarHBondContact O-N 2.99Å; V279-I283 HydrophobicContact CG1-CD1 4.07Å; V279-I283 VanDerWaalsContact O-CG1 3.24Å; V279-I283 WeakPolarHBondContact O-CG1 3.46Å
280	I	94.8	Very high	93.9	Very high	29 Å²	29	72.6 Å²	72.6	15%	0.149	36%	0.355	C	S	.	.	H	α-helix	trans	-65	-31.3	-177.7	-69.7	165.3	0	0	0	112.4	L252 A254 I257 L276 D282 I283	L252-I280 HydrophobicContact CD2-CB 4.43Å; L252-I280 HydrophobicContact CD2-CD1 3.64Å; L252-I280 HydrophobicContact CD2-CG1 3.57Å; L252-I280 HydrophobicContact CD2-CG2 3.99Å; A254-I280 HydrophobicContact CB-CD1 4.11Å; I257-I280 HydrophobicContact CD1-CD1 3.99Å; I257-I280 HydrophobicContact CD1-CG1 4.4Å; L276-I280 HydrophobicContact CB-CD1 4.44Å; L276-I280 WeakPolarHBondContact O-CB 3.37Å; L276-I280 WeakPolarHBondContact O-CD1 3.24Å; L276-I280 WeakPolarHBondContact O-CG1 3.12Å; L276-I280 PolarHBondContact O-N 3.49Å; I280-D282 PolarHBondContact O-N 3.26Å; I280-D282 VanDerWaalsContact O-N 3.13Å; I280-I283 PolarHBondContact O-N 3.45Å; I280-I283 VanDerWaalsContact O-N 3.13Å
281	K	91.9	Very high	93.6	Very high	143 Å²	143	73 Å²	73	62%	0.622	36%	0.357	S	S	*	.	H	α-helix	trans	-58.4	-26.6	178.1	-74.7	162.4	-161.7	163.5	0	112.6	E277 D278 V279 I283	E277-K281 WeakPolarHBondContact O-CE 3.32Å; E277-K281 VanDerWaalsContact O-CG 3.28Å; E277-K281 WeakPolarHBondContact O-CG 3.45Å; E277-K281 PolarHBondContact O-N 3.41Å; D278-K281 PolarHBondContact O-N 3.04Å; D278-K281 IonicContact OD1-NZ 3.25Å; D278-K281 PolarHBondContact OD1-NZ 3.08Å; V279-K281 VanDerWaalsContact C-N 3.3Å; V279-K281 PolarHBondContact O-N 2.69Å; K281-I283 VanDerWaalsContact C-N 3.34Å
282	D	84.5	Confident	93.2	Very high	102 Å²	102	75.4 Å²	75.4	55%	0.545	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	7	-177.3	-70.2	-18.4	0	0	0	113.8	K238 V279 I280	K238-D282 WeakPolarHBondContact CE-O 3.45Å; K238-D282 PolarHBondContact NZ-O 3.38Å; V279-D282 PolarHBondContact O-N 2.99Å; I280-D282 PolarHBondContact O-N 3.26Å; I280-D282 VanDerWaalsContact O-N 3.13Å
283	I	82.9	Confident	93	Very high	58 Å²	58	76.5 Å²	76.5	30%	0.297	37%	0.37	S	S	.	.			trans	-133.9	0	-168.8	-29.3	-177.6	0	0	0	114.1	K238 L241 T242 K245 V279 I280 K281	K238-I283 HydrophobicContact CG-CD1 4.44Å; K238-I283 HydrophobicContact CG-CG1 4.33Å; K238-I283 HydrophobicContact CG-CG2 4.5Å; L241-I283 HydrophobicContact CB-CD1 3.49Å; L241-I283 VanDerWaalsContact CB-CD1 3.49Å; L241-I283 HydrophobicContact CD1-CD1 3.56Å; L241-I283 HydrophobicContact CG-CD1 4.17Å; T242-I283 WeakPolarHBondContact OG1-CG2 3.38Å; K245-I283 PolarHBondContact NZ-O 3.5Å; K245-I283 PolarHBondContact NZ-OXT 3.36Å; V279-I283 HydrophobicContact CG1-CD1 4.07Å; V279-I283 VanDerWaalsContact O-CG1 3.24Å; V279-I283 WeakPolarHBondContact O-CG1 3.46Å; I280-I283 PolarHBondContact O-N 3.45Å; I280-I283 VanDerWaalsContact O-N 3.13Å; K281-I283 VanDerWaalsContact C-N 3.34Å

Retrieved 283 of 283 residues in 523.9 ms (Link to these results)

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