A0A5K4F2I1_SCHMA Loading...

Histone PARylation factor 1

AlphaFold DB , UniProt , Accession A0A5K4F2I1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 288 aa.

Structure Viewer

Loading PAE data...

(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	39.4	Very low	36.6	Very low	229 Å²	229	177.3 Å²	177.3	100%	1.128	88%	0.88	S	S	*	*				0	135.8	0	-76.9	167.8	80	0	0	109.8
2	K	39	Very low	36.3	Very low	201 Å²	201	171.6 Å²	171.6	87%	0.874	86%	0.862	S	S	*	*			trans	71.3	75.9	166.4	-61.6	-175.9	179.5	178.9	0	118.6
3	G	39.6	Very low	36	Very low	81 Å²	81	170.8 Å²	170.8	84%	0.835	86%	0.859	S	S	*	*			trans	-81.1	128.5	158.9	0	0	0	0	0	111.6	S5	G3-S5 PolarHBondContact O-N 2.9Å
4	K	39.7	Very low	35.8	Very low	213 Å²	213	167.6 Å²	167.6	93%	0.926	84%	0.844	S	S	*	*			trans	-73.5	115.2	-179.4	-69.9	174.4	176.5	174.2	0	110.7
5	S	38.7	Very low	35.7	Very low	116 Å²	116	167.1 Å²	167.1	81%	0.811	84%	0.837	S	S	*	*			trans	-88.5	111.8	169.6	-173.4	0	0	0	0	110.3	G3 K7	G3-S5 PolarHBondContact O-N 2.9Å; S5-K7 PolarHBondContact O-N 3.19Å
6	R	39.9	Very low	35.5	Very low	243 Å²	243	165.6 Å²	165.6	92%	0.917	83%	0.833	S	S	*	*			trans	-77.1	107.5	170.8	-91.8	179	164.3	169.3	-4.7	109	R8	R6-R8 PolarHBondContact O-N 3.49Å
7	K	36.3	Very low	35.8	Very low	207 Å²	207	165.5 Å²	165.5	90%	0.9	83%	0.829	S	S	*	*			trans	-61.9	114.8	166.6	-84.1	179.1	173.5	177.4	0	109.7	S5 S9	S5-K7 PolarHBondContact O-N 3.19Å; K7-S9 PolarHBondContact O-N 3.32Å
8	R	34.4	Very low	35.8	Very low	245 Å²	245	167 Å²	167	93%	0.925	83%	0.83	S	S	*	*			trans	-77.7	110.5	164.6	-92.3	-179.4	168.4	172.5	-3.4	108.7	R6	R6-R8 PolarHBondContact O-N 3.49Å
9	S	28.9	Very low	36	Very low	116 Å²	116	163.6 Å²	163.6	81%	0.811	82%	0.821	S	S	*	*			trans	-88.7	110.6	162.4	174.5	0	0	0	0	107.5	K7	K7-S9 PolarHBondContact O-N 3.32Å
10	S	36.9	Very low	36.3	Very low	96 Å²	96	165.2 Å²	165.2	67%	0.671	82%	0.822	S	S	*	*			trans	-121.3	104.7	165.5	48.3	0	0	0	0	107.2	V12	S10-V12 PolarHBondContact O-N 2.76Å
11	K	30.1	Very low	36.4	Very low	203 Å²	203	162.6 Å²	162.6	88%	0.883	82%	0.815	S	S	*	*			trans	-59.5	96.4	168	-83.1	177.7	171.3	179	0	108.1
12	V	32.1	Very low	36.4	Very low	109 Å²	109	155 Å²	155	66%	0.661	78%	0.783	S	S	*	*			trans	-89.3	115.2	165.8	177.9	0	0	0	0	106.4	S10 I14	S10-V12 PolarHBondContact O-N 2.76Å; V12-I14 HydrophobicContact CG1-CG1 4.07Å; V12-I14 PolarHBondContact O-N 2.79Å; V12-I14 VanDerWaalsContact O-N 3.09Å
13	I	32.3	Very low	36.2	Very low	162 Å²	162	154.5 Å²	154.5	83%	0.831	78%	0.781	S	S	*	*			trans	-71.6	99.8	168.9	-61.5	172.5	0	0	0	105.6	E15	I13-E15 PolarHBondContact O-N 3.29Å
14	I	33.2	Very low	35.9	Very low	125 Å²	125	157.8 Å²	157.8	64%	0.641	79%	0.785	S	S	*	*			trans	-81.8	101.2	173.1	-59	173.1	0	0	0	105.9	V12 N16	V12-I14 HydrophobicContact CG1-CG1 4.07Å; V12-I14 PolarHBondContact O-N 2.79Å; V12-I14 VanDerWaalsContact O-N 3.09Å; I14-N16 PolarHBondContact O-N 3.2Å
15	E	35.1	Very low	35.8	Very low	160 Å²	160	153.4 Å²	153.4	75%	0.748	78%	0.776	S	S	*	*			trans	-67.5	99.5	166.7	-134.2	178.6	-158.9	0	0	107.3	I13 Q17	I13-E15 PolarHBondContact O-N 3.29Å; E15-Q17 PolarHBondContact O-N 3.5Å
16	N	32.1	Very low	35.6	Very low	143 Å²	143	152.5 Å²	152.5	77%	0.765	77%	0.769	S	S	*	*			trans	-67.9	80.1	177.9	-84	-27	0	0	0	110.2	I14 K18	I14-N16 PolarHBondContact O-N 3.2Å; N16-K18 PolarHBondContact O-N 3.4Å
17	Q	41.1	Very low	35.7	Very low	164 Å²	164	149.2 Å²	149.2	77%	0.766	76%	0.764	S	S	*	*			trans	-81.8	96.9	160.1	-68.6	-169.6	11.8	0	0	108.3	E15	E15-Q17 PolarHBondContact O-N 3.5Å
18	K	35.6	Very low	35.9	Very low	193 Å²	193	148 Å²	148	84%	0.839	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-59.6	126.2	164.8	-76.1	-177.2	176.4	-179.1	0	108.5	N16 K20	N16-K18 PolarHBondContact O-N 3.4Å; K18-K20 PolarHBondContact O-N 3.04Å
19	P	39	Very low	36	Very low	103 Å²	103	145.5 Å²	145.5	67%	0.669	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-69.1	132.3	175.7	-6.4	21.7	0	0	0	109.1
20	K	41.9	Very low	36.7	Very low	194 Å²	194	142.5 Å²	142.5	84%	0.843	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-84.8	120.6	169.5	-75.7	-177.1	177.4	179	0	108.2	K18	K18-K20 PolarHBondContact O-N 3.04Å
21	V	38	Very low	36.9	Very low	111 Å²	111	142.4 Å²	142.4	67%	0.673	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-50.3	126.4	172.5	-178	0	0	0	0	109.9	K23	V21-K23 PolarHBondContact O-N 3.42Å
22	P	39.4	Very low	37.4	Very low	71 Å²	71	139.2 Å²	139.2	46%	0.461	73%	0.734	S	S	.	*	P	Polyproline II helix	trans	-74.6	118.2	169.2	19.7	-11.3	0	0	0	108.5	T24 R210	P22-T24 PolarHBondContact O-N 2.99Å; P22-R210 HydrophobicContact CB-CG 4.27Å
23	K	36.7	Very low	38.3	Very low	190 Å²	190	137.6 Å²	137.6	83%	0.826	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-59.8	132.5	160.9	-76.6	-178.8	176.2	-178.9	0	107.4	V21 V25	V21-K23 PolarHBondContact O-N 3.42Å; K23-V25 PolarHBondContact O-N 3.22Å
24	T	32	Very low	39.2	Very low	149 Å²	149	137.6 Å²	137.6	91%	0.914	72%	0.72	S	S	*	*			trans	-54	102.3	169.7	-30.8	0	0	0	0	108	P22	P22-T24 PolarHBondContact O-N 2.99Å
25	V	38	Very low	40.4	Very low	121 Å²	121	136 Å²	136	73%	0.733	71%	0.707	S	S	*	*			trans	-87.6	113.6	171.3	-178.7	0	0	0	0	104.9	K23 E27	K23-V25 PolarHBondContact O-N 3.22Å; V25-E27 PolarHBondContact O-N 3.02Å
26	S	35.3	Very low	42	Very low	97 Å²	97	133.8 Å²	133.8	68%	0.678	71%	0.706	S	S	*	*			trans	-48.9	121.9	167	45.7	0	0	0	0	108.4	E28	S26-E28 PolarHBondContact O-N 3.06Å
27	E	42	Very low	44.2	Very low	174 Å²	174	129.7 Å²	129.7	81%	0.813	68%	0.683	S	S	*	*			trans	-59.8	106.7	171.7	-65.6	-177.3	158.8	0	0	107	V25 E29	V25-E27 PolarHBondContact O-N 3.02Å; E27-E29 PolarHBondContact O-N 2.95Å; E27-E29 VanDerWaalsContact O-N 3.07Å
28	E	39.8	Very low	46.4	Very low	181 Å²	181	125.1 Å²	125.1	85%	0.846	67%	0.669	S	S	*	*			trans	-55.2	116.9	169.3	-76.4	178.8	167.3	0	0	107.2	S26 S30	S26-E28 PolarHBondContact O-N 3.06Å; E28-S30 PolarHBondContact O-N 3.21Å
29	E	36.8	Very low	49	Very low	194 Å²	194	123 Å²	123	91%	0.907	67%	0.667	S	S	*	*			trans	-49.9	114.6	174.1	-78.8	-178.4	155.1	0	0	108	E27	E27-E29 PolarHBondContact O-N 2.95Å; E27-E29 VanDerWaalsContact O-N 3.07Å
30	S	43	Very low	51.6	Low	53 Å²	53	122 Å²	122	37%	0.371	65%	0.654	S	S	.	*			trans	-62.1	139.7	171.4	-52	0	0	0	0	107	E28 V32 K142	E28-S30 PolarHBondContact O-N 3.21Å; S30-V32 PolarHBondContact O-N 3.44Å; S30-K142 PolarHBondContact OG-NZ 3.25Å
31	P	40.9	Very low	54.1	Low	93 Å²	93	113.6 Å²	113.6	60%	0.604	62%	0.618	S	S	*	*			trans	-52	122	175.1	17.7	-27.7	0	0	0	109	F33	P31-F33 HydrophobicContact CB-CE2 4.33Å; P31-F33 HydrophobicContact CG-CE2 3.8Å; P31-F33 HydrophobicContact CG-CZ 4.15Å; P31-F33 WeakPolarHBondContact O-CD2 2.99Å; P31-F33 PolarHBondContact O-N 3.3Å
32	V	41.4	Very low	56.8	Low	136 Å²	136	113.2 Å²	113.2	82%	0.824	61%	0.609	S	S	*	*			trans	-66.4	103.9	172.3	179.1	0	0	0	0	105.5	S30 D34	S30-V32 PolarHBondContact O-N 3.44Å; V32-D34 PolarHBondContact O-N 2.97Å; V32-D34 VanDerWaalsContact O-N 3.07Å
33	F	50.4	Low	59.4	Low	75 Å²	75	117.3 Å²	117.3	33%	0.329	62%	0.615	S	S	.	*			trans	-73.8	100.4	177.5	-79.3	-85.5	0	0	0	108.5	P31 Y35 P58 K193 N194	P31-F33 HydrophobicContact CB-CE2 4.33Å; P31-F33 HydrophobicContact CG-CE2 3.8Å; P31-F33 HydrophobicContact CG-CZ 4.15Å; P31-F33 WeakPolarHBondContact O-CD2 2.99Å; P31-F33 PolarHBondContact O-N 3.3Å; F33-Y35 PolarHBondContact O-N 3.18Å; F33-P58 HydrophobicContact CD2-CB 4.41Å; F33-K193 WeakPolarHBondContact CE1-O 3.23Å; F33-N194 HydrophobicContact CE1-CB 4.02Å; F33-N194 VanDerWaalsContact CZ-O 3.31Å; F33-N194 WeakPolarHBondContact CZ-O 3.48Å
34	D	52.4	Low	62.3	Low	163 Å²	163	110.2 Å²	110.2	87%	0.872	58%	0.583	S	S	*	*			trans	-77.5	67.6	177.7	-141.4	13.5	0	0	0	109.5	V32	V32-D34 PolarHBondContact O-N 2.97Å; V32-D34 VanDerWaalsContact O-N 3.07Å
35	Y	58.3	Low	65.3	Low	92 Å²	92	104.5 Å²	104.5	36%	0.361	55%	0.547	S	S	.	.			trans	-99.9	125.5	171.5	-174.9	-109.8	0	0	0	108.4	F33 I37 L62	F33-Y35 PolarHBondContact O-N 3.18Å; Y35-I37 HydrophobicContact CD1-CG1 4.28Å; Y35-I37 PolarHBondContact O-N 3.01Å; Y35-L62 HydrophobicContact CD1-CD2 3.95Å; Y35-L62 HydrophobicContact CE1-CD2 4.39Å; Y35-L62 HydrophobicContact CG-CD2 4.23Å
36	P	67.2	Low	68.1	Low	112 Å²	112	101.8 Å²	101.8	73%	0.727	53%	0.533	S	S	*	.			trans	-67.1	96.8	178	25.7	-31.9	0	0	0	109.3
37	I	78.4	Confident	71	Confident	57 Å²	57	98.2 Å²	98.2	29%	0.292	51%	0.506	S	S	.	.			trans	-76.8	131.6	168.9	-63.9	178.1	0	0	0	106.8	Y35 I41 Q42 I45 P61	Y35-I37 HydrophobicContact CD1-CG1 4.28Å; Y35-I37 PolarHBondContact O-N 3.01Å; I37-I41 HydrophobicContact CG2-CB 3.51Å; I37-I41 HydrophobicContact CG2-CG2 3.34Å; I37-Q42 HydrophobicContact CG2-CB 4.34Å; I37-I45 HydrophobicContact CD1-CD1 4.2Å; I37-I45 HydrophobicContact CG2-CD1 4.45Å; I37-P61 HydrophobicContact CD1-CB 4.38Å; I37-P61 HydrophobicContact CD1-CG 4.03Å
38	S	88.5	Confident	73.6	Confident	68 Å²	68	89.9 Å²	89.9	48%	0.476	47%	0.467	S	S	.	.			trans	-62.7	149.9	176.8	67.8	0	0	0	0	111.1	E40 I41 Q42	S38-E40 PolarHBondContact O-N 3.36Å; S38-E40 VanDerWaalsContact O-N 3.09Å; S38-I41 PolarHBondContact O-N 2.85Å; S38-I41 WeakPolarHBondContact OG-CG1 3.38Å; S38-I41 PolarHBondContact OG-N 3.44Å; S38-Q42 PolarHBondContact O-N 3.38Å
39	D	90.6	Very high	76.3	Confident	148 Å²	148	82.7 Å²	82.7	79%	0.791	44%	0.441	S	S	*	.	H	α-helix	trans	-53.2	-35.5	179.5	-67.2	-24.6	0	0	0	112.5	Q42 R43	D39-Q42 PolarHBondContact O-N 2.8Å; D39-R43 WeakPolarHBondContact O-CB 3.41Å; D39-R43 PolarHBondContact O-N 3.44Å
40	E	93.2	Very high	79.1	Confident	83 Å²	83	77.3 Å²	77.3	39%	0.388	42%	0.416	S	S	.	.	H	α-helix	trans	-65.4	-45	176.6	179.3	58.5	-168.5	0	0	112.2	S38 Q42 R43 R44	S38-E40 PolarHBondContact O-N 3.36Å; S38-E40 VanDerWaalsContact O-N 3.09Å; E40-Q42 VanDerWaalsContact C-N 3.34Å; E40-R43 PolarHBondContact O-N 3.13Å; E40-R44 WeakPolarHBondContact O-CG 3.39Å; E40-R44 PolarHBondContact O-N 3.37Å; E40-R44 IonicContact OE1-CZ 3.52Å; E40-R44 IonicContact OE1-NE 2.66Å; E40-R44 PolarHBondContact OE1-NE 2.95Å; E40-R44 IonicContact OE1-NH2 3.54Å; E40-R44 PolarHBondContact OE1-NH2 3.04Å
41	I	93.8	Very high	81.7	Confident	17 Å²	17	74.8 Å²	74.8	9%	0.087	40%	0.398	C	S	.	.	H	α-helix	trans	-66.7	-39.7	176.8	-65.1	-66.9	0	0	0	110.2	I37 S38 R43 R44 I45 P61 Y64 L93	I37-I41 HydrophobicContact CG2-CB 3.51Å; I37-I41 HydrophobicContact CG2-CG2 3.34Å; S38-I41 PolarHBondContact O-N 2.85Å; S38-I41 WeakPolarHBondContact OG-CG1 3.38Å; S38-I41 PolarHBondContact OG-N 3.44Å; I41-R43 VanDerWaalsContact C-N 3.33Å; I41-R43 PolarHBondContact O-N 2.78Å; I41-R44 PolarHBondContact O-N 3.19Å; I41-R44 VanDerWaalsContact O-N 3.17Å; I41-I45 HydrophobicContact CG2-CD1 4.02Å; I41-I45 HydrophobicContact CG2-CG1 4.43Å; I41-I45 WeakPolarHBondContact O-CG1 3.4Å; I41-I45 PolarHBondContact O-N 2.96Å; I41-P61 HydrophobicContact CG2-CB 4.5Å; I41-Y64 HydrophobicContact CD1-CE1 4.42Å; I41-L93 HydrophobicContact CD1-CD1 4.4Å; I41-L93 HydrophobicContact CD1-CG 4.46Å; I41-L93 HydrophobicContact CG2-CD1 3.97Å
42	Q	93.9	Very high	84.3	Confident	104 Å²	104	70.6 Å²	70.6	49%	0.486	37%	0.37	S	S	.	.	H	α-helix	trans	-61.9	-41.3	176.3	-171.1	64.9	11.4	0	0	111.8	I37 S38 D39 E40 R44 I45 S46	I37-Q42 HydrophobicContact CG2-CB 4.34Å; S38-Q42 PolarHBondContact O-N 3.38Å; D39-Q42 PolarHBondContact O-N 2.8Å; E40-Q42 VanDerWaalsContact C-N 3.34Å; Q42-R44 VanDerWaalsContact C-N 3.35Å; Q42-R44 PolarHBondContact O-N 3.39Å; Q42-I45 PolarHBondContact O-N 3.23Å; Q42-S46 PolarHBondContact O-N 3.07Å
43	R	94.8	Very high	86.9	Confident	157 Å²	157	64.9 Å²	64.9	59%	0.592	34%	0.335	S	S	*	.	H	α-helix	trans	-60.2	-43.9	173.5	-176.9	-177.8	177.5	171.6	-2.5	111.4	D39 E40 I41 S46 M47	D39-R43 WeakPolarHBondContact O-CB 3.41Å; D39-R43 PolarHBondContact O-N 3.44Å; E40-R43 PolarHBondContact O-N 3.13Å; I41-R43 VanDerWaalsContact C-N 3.33Å; I41-R43 PolarHBondContact O-N 2.78Å; R43-S46 WeakPolarHBondContact O-CB 3.32Å; R43-S46 PolarHBondContact O-N 3.05Å; R43-M47 HydrophobicContact CG-CE 4.11Å; R43-M47 WeakPolarHBondContact O-CG 3.39Å; R43-M47 PolarHBondContact O-N 3.1Å
44	R	96.7	Very high	89.1	Confident	41 Å²	41	61.4 Å²	61.4	16%	0.155	32%	0.319	C	S	.	.	H	α-helix	trans	-68.2	-36.2	178.4	-67.4	176.8	-170	-167.9	-4.7	112.8	E40 I41 Q42 S46 M47 I48 L93 H94	E40-R44 WeakPolarHBondContact O-CG 3.39Å; E40-R44 PolarHBondContact O-N 3.37Å; E40-R44 IonicContact OE1-CZ 3.52Å; E40-R44 IonicContact OE1-NE 2.66Å; E40-R44 PolarHBondContact OE1-NE 2.95Å; E40-R44 IonicContact OE1-NH2 3.54Å; E40-R44 PolarHBondContact OE1-NH2 3.04Å; I41-R44 PolarHBondContact O-N 3.19Å; I41-R44 VanDerWaalsContact O-N 3.17Å; Q42-R44 VanDerWaalsContact C-N 3.35Å; Q42-R44 PolarHBondContact O-N 3.39Å; R44-S46 VanDerWaalsContact C-N 3.29Å; R44-S46 PolarHBondContact O-N 2.95Å; R44-M47 WeakPolarHBondContact O-CB 3.34Å; R44-M47 PolarHBondContact O-N 3.38Å; R44-I48 VanDerWaalsContact O-CG1 3.31Å; R44-I48 WeakPolarHBondContact O-CG1 3.11Å; R44-I48 PolarHBondContact O-N 2.82Å; R44-L93 HydrophobicContact CB-CD1 4.1Å; R44-L93 WeakPolarHBondContact CD-O 3.31Å; R44-L93 PolarHBondContact NH1-O 3.23Å; R44-H94 PolarHBondContact NH1-O 2.91Å
45	I	96.4	Very high	91.1	Very high	29 Å²	29	59.6 Å²	59.6	15%	0.149	30%	0.304	C	S	.	.	H	α-helix	trans	-59.9	-41.9	170.9	-70	168.1	0	0	0	110.6	I37 I41 Q42 I48 G49 C56 P61 L93	I37-I45 HydrophobicContact CD1-CD1 4.2Å; I37-I45 HydrophobicContact CG2-CD1 4.45Å; I41-I45 HydrophobicContact CG2-CD1 4.02Å; I41-I45 HydrophobicContact CG2-CG1 4.43Å; I41-I45 WeakPolarHBondContact O-CG1 3.4Å; I41-I45 PolarHBondContact O-N 2.96Å; Q42-I45 PolarHBondContact O-N 3.23Å; I45-I48 PolarHBondContact O-N 3.38Å; I45-G49 PolarHBondContact O-N 2.83Å; I45-C56 HydrophobicContact CG2-CB 4.1Å; I45-P61 HydrophobicContact CD1-CB 4.15Å; I45-P61 HydrophobicContact CD1-CG 4.19Å; I45-L93 HydrophobicContact CG1-CD1 4Å
46	S	95.4	Very high	92.7	Very high	63 Å²	63	56.3 Å²	56.3	44%	0.441	29%	0.294	S	S	.	.	H	α-helix	trans	-62.9	-41.6	174.4	-177.7	0	0	0	0	112.2	Q42 R43 R44 I48 G49 Q50	Q42-S46 PolarHBondContact O-N 3.07Å; R43-S46 WeakPolarHBondContact O-CB 3.32Å; R43-S46 PolarHBondContact O-N 3.05Å; R44-S46 VanDerWaalsContact C-N 3.29Å; R44-S46 PolarHBondContact O-N 2.95Å; S46-I48 PolarHBondContact O-N 3.16Å; S46-G49 PolarHBondContact O-N 3.28Å; S46-Q50 WeakPolarHBondContact O-CG 3.5Å; S46-Q50 PolarHBondContact O-N 3.33Å; S46-Q50 PolarHBondContact OG-NE2 3.39Å
47	M	96.7	Very high	93.9	Very high	22 Å²	22	51.6 Å²	51.6	11%	0.108	26%	0.264	C	S	.	.	H	α-helix	trans	-59.1	-45.8	173.3	-68.8	175.8	175.5	0	0	111.7	R43 R44 G49 Q50 G51 I92 V101 W106	R43-M47 HydrophobicContact CG-CE 4.11Å; R43-M47 WeakPolarHBondContact O-CG 3.39Å; R43-M47 PolarHBondContact O-N 3.1Å; R44-M47 WeakPolarHBondContact O-CB 3.34Å; R44-M47 PolarHBondContact O-N 3.38Å; M47-G49 VanDerWaalsContact C-N 3.33Å; M47-G49 PolarHBondContact O-N 2.71Å; M47-Q50 PolarHBondContact O-N 2.84Å; M47-G51 PolarHBondContact O-N 2.87Å; M47-I92 HydrophobicContact CB-CG2 4.17Å; M47-V101 HydrophobicContact CB-CG2 4.02Å; M47-V101 HydrophobicContact CG-CG2 3.89Å; M47-V101 HydrophobicContact SD-CG2 4.41Å; M47-W106 HydrophobicContact CB-CH2 4.27Å; M47-W106 HydrophobicContact CB-CZ3 4.31Å; M47-W106 WeakPolarHBondContact O-CZ3 3.4Å
48	I	97.2	Very high	94.6	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-59.8	-44.9	176.6	-68	163	0	0	0	110.7	R44 I45 S46 Q50 G51 F52 L54 C56 F60 P89 I92 L93	R44-I48 VanDerWaalsContact O-CG1 3.31Å; R44-I48 WeakPolarHBondContact O-CG1 3.11Å; R44-I48 PolarHBondContact O-N 2.82Å; I45-I48 PolarHBondContact O-N 3.38Å; S46-I48 PolarHBondContact O-N 3.16Å; I48-Q50 VanDerWaalsContact C-N 3.27Å; I48-Q50 PolarHBondContact O-N 3.39Å; I48-G51 PolarHBondContact O-N 2.78Å; I48-F52 HydrophobicContact CG2-CD2 4.15Å; I48-F52 WeakPolarHBondContact O-CB 3.44Å; I48-F52 PolarHBondContact O-N 2.66Å; I48-L54 HydrophobicContact CG2-CB 4.27Å; I48-L54 HydrophobicContact CG2-CD2 4.24Å; I48-C56 VanDerWaalsContact CG2-SG 3.59Å; I48-F60 HydrophobicContact CD1-CE1 3.69Å; I48-F60 HydrophobicContact CD1-CZ 4.08Å; I48-P89 HydrophobicContact CD1-CB 4.34Å; I48-P89 WeakPolarHBondContact CD1-O 3.3Å; I48-P89 HydrophobicContact CG1-CB 4.45Å; I48-P89 HydrophobicContact CG2-CB 3.85Å; I48-P89 HydrophobicContact CG2-CG 4.38Å; I48-I92 HydrophobicContact CD1-CB 4.46Å; I48-I92 HydrophobicContact CD1-CG2 4.49Å; I48-I92 HydrophobicContact CG1-CB 3.89Å; I48-I92 HydrophobicContact CG1-CG2 3.73Å; I48-L93 HydrophobicContact CD1-CB 4.05Å; I48-L93 HydrophobicContact CD1-CD1 4.12Å
49	G	95.9	Very high	94.9	Very high	29 Å²	29	49.3 Å²	49.3	30%	0.299	25%	0.251	S	S	.	.	H	α-helix	trans	-56.7	-40.5	176.1	0	0	0	0	0	112.9	I45 S46 M47 H53 L54	I45-G49 PolarHBondContact O-N 2.83Å; S46-G49 PolarHBondContact O-N 3.28Å; M47-G49 VanDerWaalsContact C-N 3.33Å; M47-G49 PolarHBondContact O-N 2.71Å; G49-H53 WeakPolarHBondContact O-CA 3.4Å; G49-H53 PolarHBondContact O-N 3.24Å; G49-L54 VanDerWaalsContact CA-O 3.3Å; G49-L54 WeakPolarHBondContact CA-O 3.21Å
50	Q	95.8	Very high	95.2	Very high	82 Å²	82	42.2 Å²	42.2	38%	0.383	21%	0.213	S	C	.	.	H	α-helix	trans	-74.6	-51.4	177.3	-67.6	178.6	54.7	0	0	112.2	S46 M47 I48 V101 K103 G104	S46-Q50 WeakPolarHBondContact O-CG 3.5Å; S46-Q50 PolarHBondContact O-N 3.33Å; S46-Q50 PolarHBondContact OG-NE2 3.39Å; M47-Q50 PolarHBondContact O-N 2.84Å; I48-Q50 VanDerWaalsContact C-N 3.27Å; I48-Q50 PolarHBondContact O-N 3.39Å; Q50-V101 HydrophobicContact CB-CG1 4.06Å; Q50-V101 PolarHBondContact OE1-O 2.87Å; Q50-K103 CarbonylContact O-C 3.43Å; Q50-K103 WeakPolarHBondContact O-CA 3.33Å; Q50-G104 PolarHBondContact O-N 3.42Å
51	G	97.1	Very high	95.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-75	-34.8	-170.7	0	0	0	0	0	114.5	M47 I48 G104 Q105 W106 S107	M47-G51 PolarHBondContact O-N 2.87Å; I48-G51 PolarHBondContact O-N 2.78Å; G51-G104 CarbonylContact O-C 3.53Å; G51-G104 VanDerWaalsContact O-CA 3.23Å; G51-G104 WeakPolarHBondContact O-CA 3.34Å; G51-Q105 PolarHBondContact O-N 2.8Å; G51-W106 PolarHBondContact O-N 3.41Å; G51-S107 PolarHBondContact O-N 2.74Å
52	F	96.9	Very high	95.5	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.018	20%	0.196	C	C	.	.	S	Bend	trans	-103.4	-2.8	179.7	-73	-78.1	0	0	0	114	I48 L54 P89 I92 W106 V120 F287	I48-F52 HydrophobicContact CG2-CD2 4.15Å; I48-F52 WeakPolarHBondContact O-CB 3.44Å; I48-F52 PolarHBondContact O-N 2.66Å; F52-L54 HydrophobicContact CB-CB 3.88Å; F52-L54 PolarHBondContact O-N 2.7Å; F52-P89 HydrophobicContact CD1-CG 4.39Å; F52-P89 HydrophobicContact CD2-CB 4.45Å; F52-P89 HydrophobicContact CD2-CG 3.95Å; F52-P89 HydrophobicContact CE1-CG 4.48Å; F52-P89 HydrophobicContact CE2-CB 4.45Å; F52-P89 HydrophobicContact CE2-CG 4.05Å; F52-P89 HydrophobicContact CG-CG 4.13Å; F52-P89 HydrophobicContact CZ-CG 4.32Å; F52-I92 HydrophobicContact CE2-CG1 3.9Å; F52-W106 HydrophobicContact CD1-CB 4.07Å; F52-W106 WeakPolarHBondContact CD1-O 3.45Å; F52-W106 HydrophobicContact CD2-CB 4.21Å; F52-W106 AromaticContact CD2-CE3 3.81Å; F52-W106 HydrophobicContact CD2-CE3 3.81Å; F52-W106 HydrophobicContact CE1-CB 3.69Å; F52-W106 WeakPolarHBondContact CE1-O 3.16Å; F52-W106 HydrophobicContact CE2-CB 3.84Å; F52-W106 HydrophobicContact CE2-CD2 4.22Å; F52-W106 AromaticContact CE2-CE3 3.66Å; F52-W106 HydrophobicContact CE2-CE3 3.66Å; F52-W106 HydrophobicContact CE2-CG 4.35Å; F52-W106 HydrophobicContact CG-CB 4.31Å; F52-W106 HydrophobicContact CZ-CB 3.56Å; F52-W106 HydrophobicContact CZ-CE3 4.49Å; F52-W106 HydrophobicContact CZ-CG 4.35Å; F52-V120 HydrophobicContact CB-CG1 4.41Å; F52-V120 HydrophobicContact CD1-CG1 3.99Å; F52-V120 HydrophobicContact CG-CG1 4.39Å; F52-F287 HydrophobicContact CE2-CE2 4.49Å; F52-F287 HydrophobicContact CE2-CZ 4.32Å; F52-F287 AromaticContact CZ-CE2 3.88Å; F52-F287 HydrophobicContact CZ-CE2 3.88Å; F52-F287 AromaticContact CZ-CZ 3.89Å; F52-F287 HydrophobicContact CZ-CZ 3.89Å
53	H	95.7	Very high	95.7	Very high	17 Å²	17	33.4 Å²	33.4	8%	0.079	17%	0.173	C	C	.	.			trans	52.6	34.3	-164.9	-60.7	-71.8	0	0	0	112.4	G49 G104 R136 E268	G49-H53 WeakPolarHBondContact O-CA 3.4Å; G49-H53 PolarHBondContact O-N 3.24Å; H53-G104 WeakPolarHBondContact NE2-CA 3.49Å; H53-G104 PolarHBondContact NE2-N 3.17Å; H53-R136 PolarHBondContact O-NH1 3.43Å; H53-R136 PolarHBondContact O-NH2 2.98Å; H53-E268 HydrophobicContact CB-CB 4.13Å; H53-E268 HydrophobicContact CB-CG 4.42Å; H53-E268 WeakPolarHBondContact ND1-CG 3.45Å
54	L	95.6	Very high	95.9	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	15%	0.147	C	C	.	.			trans	-111.5	109.4	-173.3	177.1	63.7	0	0	0	111.5	I48 G49 F52 C56 P89 V120 Y134	I48-L54 HydrophobicContact CG2-CB 4.27Å; I48-L54 HydrophobicContact CG2-CD2 4.24Å; G49-L54 VanDerWaalsContact CA-O 3.3Å; G49-L54 WeakPolarHBondContact CA-O 3.21Å; F52-L54 HydrophobicContact CB-CB 3.88Å; F52-L54 PolarHBondContact O-N 2.7Å; L54-C56 PolarHBondContact O-N 2.8Å; L54-C56 VanDerWaalsContact O-N 3.17Å; L54-P89 HydrophobicContact CD2-CB 4.23Å; L54-P89 HydrophobicContact CD2-CG 3.78Å; L54-V120 HydrophobicContact CD2-CB 4.44Å; L54-V120 HydrophobicContact CD2-CG1 4.06Å; L54-Y134 HydrophobicContact CD1-CD2 4.42Å; L54-Y134 HydrophobicContact CD2-CD2 4.18Å
55	K	94.3	Very high	95.9	Very high	125 Å²	125	26.5 Å²	26.5	54%	0.543	15%	0.148	S	C	.	.			trans	-70.9	106.8	164.4	-172.3	175.4	-176.2	175.2	0	108.9	S57 E140	K55-S57 PolarHBondContact O-N 2.87Å; K55-E140 IonicContact NZ-OE2 2.99Å
56	C	92.9	Very high	95.9	Very high	24 Å²	24	25.2 Å²	25.2	16%	0.162	14%	0.141	C	C	.	.			trans	-63.8	128.7	-178.7	-67	0	0	0	0	110.3	I45 I48 L54 F60	I45-C56 HydrophobicContact CG2-CB 4.1Å; I48-C56 VanDerWaalsContact CG2-SG 3.59Å; L54-C56 PolarHBondContact O-N 2.8Å; L54-C56 VanDerWaalsContact O-N 3.17Å; C56-F60 HydrophobicContact CB-CB 4.23Å; C56-F60 HydrophobicContact CB-CD1 3.91Å; C56-F60 HydrophobicContact CB-CG 4.28Å
57	S	92.6	Very high	96.1	Very high	12 Å²	12	22.2 Å²	22.2	8%	0.084	12%	0.12	C	C	.	.			trans	-72.3	152.9	172.1	173.5	0	0	0	0	110	K55 D59 F60 P61	K55-S57 PolarHBondContact O-N 2.87Å; S57-D59 WeakPolarHBondContact CB-OD1 3.38Å; S57-D59 PolarHBondContact O-N 3.28Å; S57-D59 VanDerWaalsContact O-N 3.08Å; S57-D59 PolarHBondContact OG-OD1 3.31Å; S57-F60 VanDerWaalsContact O-CB 3.25Å; S57-F60 WeakPolarHBondContact O-CB 3.31Å; S57-F60 PolarHBondContact O-N 2.82Å; S57-P61 WeakPolarHBondContact O-CD 3.46Å
58	P	92.5	Very high	96.1	Very high	70 Å²	70	24.4 Å²	24.4	46%	0.455	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-26.8	-177	-28.4	36.1	0	0	0	115	F33 F60 L62	F33-P58 HydrophobicContact CD2-CB 4.41Å; P58-F60 VanDerWaalsContact C-N 3.29Å; P58-F60 PolarHBondContact O-N 3.06Å; P58-L62 WeakPolarHBondContact O-CD1 3.39Å; P58-L62 WeakPolarHBondContact O-CG 3.42Å
59	D	95.3	Very high	96.1	Very high	7 Å²	7	28.9 Å²	28.9	4%	0.037	16%	0.157	C	C	.	.	H	α-helix	trans	-68.8	-25.4	175.7	65.6	-58.2	0	0	0	113.2	S57 L62 F63 Y134 N162 L163 F164	S57-D59 WeakPolarHBondContact CB-OD1 3.38Å; S57-D59 PolarHBondContact O-N 3.28Å; S57-D59 VanDerWaalsContact O-N 3.08Å; S57-D59 PolarHBondContact OG-OD1 3.31Å; D59-L62 PolarHBondContact O-N 2.99Å; D59-F63 VanDerWaalsContact O-CB 3.23Å; D59-F63 WeakPolarHBondContact O-CB 3.06Å; D59-F63 PolarHBondContact O-N 3.44Å; D59-Y134 PolarHBondContact OD1-OH 2.94Å; D59-Y134 PolarHBondContact OD2-OH 3.31Å; D59-N162 HydrophobicContact CB-CB 3.81Å; D59-N162 WeakPolarHBondContact OD2-CA 3.36Å; D59-N162 WeakPolarHBondContact OD2-CB 3.44Å; D59-L163 WeakPolarHBondContact OD2-CG 3.28Å; D59-L163 PolarHBondContact OD2-N 3.34Å; D59-F164 HydrophobicContact CB-CD2 4.32Å; D59-F164 HydrophobicContact CB-CE2 4.41Å
60	F	97.3	Very high	96.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-59.8	-59	-174.7	179.7	-100.8	0	0	0	113.3	I48 C56 S57 P58 L62 F63 Y64 P89 F90 L93 V122 Y134 L163	I48-F60 HydrophobicContact CD1-CE1 3.69Å; I48-F60 HydrophobicContact CD1-CZ 4.08Å; C56-F60 HydrophobicContact CB-CB 4.23Å; C56-F60 HydrophobicContact CB-CD1 3.91Å; C56-F60 HydrophobicContact CB-CG 4.28Å; S57-F60 VanDerWaalsContact O-CB 3.25Å; S57-F60 WeakPolarHBondContact O-CB 3.31Å; S57-F60 PolarHBondContact O-N 2.82Å; P58-F60 VanDerWaalsContact C-N 3.29Å; P58-F60 PolarHBondContact O-N 3.06Å; F60-L62 VanDerWaalsContact C-N 3.3Å; F60-L62 PolarHBondContact O-N 3.16Å; F60-F63 PolarHBondContact O-N 3.14Å; F60-Y64 PolarHBondContact O-N 2.93Å; F60-P89 HydrophobicContact CE2-CB 3.87Å; F60-P89 HydrophobicContact CZ-CB 3.54Å; F60-F90 HydrophobicContact CD2-CD1 4.3Å; F60-F90 AromaticContact CD2-CE1 3.6Å; F60-F90 HydrophobicContact CD2-CE1 3.6Å; F60-F90 HydrophobicContact CD2-CE2 4.01Å; F60-F90 AromaticContact CD2-CZ 3.44Å; F60-F90 HydrophobicContact CD2-CZ 3.44Å; F60-F90 VanDerWaalsContact CD2-CZ 3.44Å; F60-F90 HydrophobicContact CE1-CD1 4.33Å; F60-F90 HydrophobicContact CE1-CE1 4.28Å; F60-F90 AromaticContact CE2-CD1 3.55Å; F60-F90 HydrophobicContact CE2-CD1 3.55Å; F60-F90 AromaticContact CE2-CD2 3.8Å; F60-F90 HydrophobicContact CE2-CD2 3.8Å; F60-F90 AromaticContact CE2-CE1 3.31Å; F60-F90 HydrophobicContact CE2-CE1 3.31Å; F60-F90 AromaticContact CE2-CE2 3.6Å; F60-F90 HydrophobicContact CE2-CE2 3.6Å; F60-F90 AromaticContact CE2-CG 3.78Å; F60-F90 HydrophobicContact CE2-CG 3.78Å; F60-F90 AromaticContact CE2-CZ 3.34Å; F60-F90 HydrophobicContact CE2-CZ 3.34Å; F60-F90 HydrophobicContact CG-CE1 4.22Å; F60-F90 HydrophobicContact CG-CZ 4.36Å; F60-F90 AromaticContact CZ-CD1 3.55Å; F60-F90 HydrophobicContact CZ-CD1 3.55Å; F60-F90 HydrophobicContact CZ-CD2 4.41Å; F60-F90 AromaticContact CZ-CE1 3.67Å; F60-F90 HydrophobicContact CZ-CE1 3.67Å; F60-F90 AromaticContact CZ-CG 3.94Å; F60-F90 HydrophobicContact CZ-CG 3.94Å; F60-F90 HydrophobicContact CZ-CZ 4.18Å; F60-F90 WeakPolarHBondContact O-CE1 3.4Å; F60-L93 HydrophobicContact CD1-CD2 4.35Å; F60-L93 HydrophobicContact CE1-CB 4.38Å; F60-L93 HydrophobicContact CE1-CD1 4.33Å; F60-L93 HydrophobicContact CE1-CD2 3.78Å; F60-L93 HydrophobicContact CE1-CG 4.4Å; F60-L93 HydrophobicContact CZ-CD2 4.33Å; F60-V122 HydrophobicContact CE2-CG1 4.28Å; F60-Y134 HydrophobicContact CB-CE2 4.45Å; F60-Y134 AromaticContact CD2-CE2 3.83Å; F60-Y134 HydrophobicContact CD2-CE2 3.83Å; F60-L163 HydrophobicContact CD2-CD1 4.31Å
61	P	96.5	Very high	96.2	Very high	11 Å²	11	31.1 Å²	31.1	7%	0.071	16%	0.157	C	C	.	.	H	α-helix	trans	-64.5	-35.2	176.9	25.8	-34.1	0	0	0	112.3	I37 I41 I45 S57 F63 Y64 E65	I37-P61 HydrophobicContact CD1-CB 4.38Å; I37-P61 HydrophobicContact CD1-CG 4.03Å; I41-P61 HydrophobicContact CG2-CB 4.5Å; I45-P61 HydrophobicContact CD1-CB 4.15Å; I45-P61 HydrophobicContact CD1-CG 4.19Å; S57-P61 WeakPolarHBondContact O-CD 3.46Å; P61-F63 VanDerWaalsContact C-N 3.31Å; P61-F63 PolarHBondContact O-N 3.17Å; P61-Y64 WeakPolarHBondContact O-CB 3.21Å; P61-Y64 PolarHBondContact O-N 3.44Å; P61-E65 WeakPolarHBondContact O-CG 3.36Å; P61-E65 PolarHBondContact O-N 2.99Å
62	L	96.5	Very high	96.2	Very high	8 Å²	8	35.1 Å²	35.1	4%	0.042	19%	0.19	C	C	.	.	H	α-helix	trans	-65.5	-34.7	178.6	-65.6	173.7	0	0	0	112.3	Y35 P58 D59 F60 E65 F66 F164 F189 K193 I195	Y35-L62 HydrophobicContact CD1-CD2 3.95Å; Y35-L62 HydrophobicContact CE1-CD2 4.39Å; Y35-L62 HydrophobicContact CG-CD2 4.23Å; P58-L62 WeakPolarHBondContact O-CD1 3.39Å; P58-L62 WeakPolarHBondContact O-CG 3.42Å; D59-L62 PolarHBondContact O-N 2.99Å; F60-L62 VanDerWaalsContact C-N 3.3Å; F60-L62 PolarHBondContact O-N 3.16Å; L62-E65 WeakPolarHBondContact O-CB 3.32Å; L62-E65 PolarHBondContact O-N 2.63Å; L62-F66 PolarHBondContact O-N 2.98Å; L62-F164 HydrophobicContact CB-CE2 4.27Å; L62-F164 HydrophobicContact CB-CZ 4.37Å; L62-F189 WeakPolarHBondContact O-CE1 3.35Å; L62-K193 HydrophobicContact CD2-CD 4.47Å; L62-I195 HydrophobicContact CB-CD1 3.86Å; L62-I195 HydrophobicContact CD1-CD1 3.59Å; L62-I195 HydrophobicContact CD1-CG1 4.17Å; L62-I195 HydrophobicContact CG-CD1 4.33Å
63	F	98.2	Very high	96.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-69.3	-36.1	175.9	-167.2	-96.6	0	0	0	111.8	D59 F60 P61 F66 C67 L79 L86 F90 I123 L163 F164 L167	D59-F63 VanDerWaalsContact O-CB 3.23Å; D59-F63 WeakPolarHBondContact O-CB 3.06Å; D59-F63 PolarHBondContact O-N 3.44Å; F60-F63 PolarHBondContact O-N 3.14Å; P61-F63 VanDerWaalsContact C-N 3.31Å; P61-F63 PolarHBondContact O-N 3.17Å; F63-F66 HydrophobicContact CD2-CD1 4.49Å; F63-F66 HydrophobicContact CE2-CD1 4.4Å; F63-F66 WeakPolarHBondContact O-CB 3.35Å; F63-F66 PolarHBondContact O-N 2.97Å; F63-C67 PolarHBondContact O-N 2.92Å; F63-C67 PolarHBondContact O-SG 2.86Å; F63-L79 HydrophobicContact CE1-CD1 4.05Å; F63-L79 HydrophobicContact CZ-CD1 3.91Å; F63-L86 HydrophobicContact CD1-CD2 4.41Å; F63-L86 HydrophobicContact CE1-CD1 4.41Å; F63-L86 HydrophobicContact CE1-CD2 4.47Å; F63-F90 HydrophobicContact CB-CZ 4.41Å; F63-F90 HydrophobicContact CD1-CE2 4.36Å; F63-F90 AromaticContact CD1-CZ 3.84Å; F63-F90 HydrophobicContact CD1-CZ 3.84Å; F63-I123 HydrophobicContact CE1-CD1 4.12Å; F63-I123 HydrophobicContact CZ-CD1 4.4Å; F63-L163 HydrophobicContact CB-CB 4.15Å; F63-L163 HydrophobicContact CB-CD1 3.74Å; F63-L163 HydrophobicContact CD1-CB 4.24Å; F63-L163 HydrophobicContact CD1-CD1 3.9Å; F63-L163 HydrophobicContact CD2-CB 3.52Å; F63-L163 HydrophobicContact CD2-CD1 4.47Å; F63-L163 HydrophobicContact CE2-CB 3.87Å; F63-L163 HydrophobicContact CG-CB 3.71Å; F63-L163 HydrophobicContact CG-CD1 3.79Å; F63-L163 HydrophobicContact CG-CG 4.38Å; F63-L163 HydrophobicContact CZ-CB 4.35Å; F63-F164 HydrophobicContact CB-CE2 3.84Å; F63-F164 HydrophobicContact CB-CZ 4.08Å; F63-F164 HydrophobicContact CD2-CD1 4.17Å; F63-F164 AromaticContact CD2-CD2 3.96Å; F63-F164 HydrophobicContact CD2-CD2 3.96Å; F63-F164 HydrophobicContact CD2-CE1 4.08Å; F63-F164 AromaticContact CD2-CE2 3.87Å; F63-F164 HydrophobicContact CD2-CE2 3.87Å; F63-F164 HydrophobicContact CD2-CG 4.11Å; F63-F164 AromaticContact CD2-CZ 3.93Å; F63-F164 HydrophobicContact CD2-CZ 3.93Å; F63-F164 HydrophobicContact CG-CE2 4.38Å; F63-F164 HydrophobicContact CG-CZ 4.48Å; F63-L167 HydrophobicContact CE2-CB 4.31Å; F63-L167 HydrophobicContact CE2-CD2 3.92Å; F63-L167 HydrophobicContact CZ-CB 4.4Å; F63-L167 HydrophobicContact CZ-CD2 3.7Å
64	Y	97.8	Very high	96.2	Very high	13 Å²	13	40.8 Å²	40.8	5%	0.051	22%	0.224	C	C	.	.	H	α-helix	trans	-66.2	-41.9	171	178.3	-105.6	0	0	0	112.1	I41 F60 P61 F66 C67 K68 P75 L76 F90 L93 H94	I41-Y64 HydrophobicContact CD1-CE1 4.42Å; F60-Y64 PolarHBondContact O-N 2.93Å; P61-Y64 WeakPolarHBondContact O-CB 3.21Å; P61-Y64 PolarHBondContact O-N 3.44Å; Y64-F66 VanDerWaalsContact C-N 3.31Å; Y64-F66 PolarHBondContact O-N 3.2Å; Y64-C67 PolarHBondContact O-N 2.95Å; Y64-C67 VanDerWaalsContact O-N 3.16Å; Y64-K68 HydrophobicContact CD1-CD 4.43Å; Y64-K68 HydrophobicContact CE1-CD 3.83Å; Y64-K68 HydrophobicContact CE1-CG 4.21Å; Y64-K68 PolarHBondContact O-N 3.29Å; Y64-P75 HydrophobicContact CD2-CB 4.46Å; Y64-P75 HydrophobicContact CE2-CB 3.78Å; Y64-L76 HydrophobicContact CE2-CD2 4.41Å; Y64-F90 HydrophobicContact CD2-CD1 4.2Å; Y64-F90 HydrophobicContact CG-CD1 4.48Å; Y64-L93 HydrophobicContact CD1-CD2 3.72Å; Y64-L93 HydrophobicContact CD1-CG 4.26Å; Y64-L93 HydrophobicContact CD2-CD2 4.21Å; Y64-L93 HydrophobicContact CE1-CD2 4.48Å; Y64-L93 HydrophobicContact CG-CD2 3.56Å; Y64-L93 HydrophobicContact CG-CG 4.41Å; Y64-H94 HydrophobicContact CE2-CB 3.99Å; Y64-H94 AromaticContact CZ-ND1 3.79Å; Y64-H94 PolarHBondContact OH-ND1 3.26Å
65	E	96.6	Very high	96.3	Very high	40 Å²	40	40.9 Å²	40.9	19%	0.187	22%	0.224	C	C	.	.	H	α-helix	trans	-57.8	-44.3	171.9	-69.5	-57.4	135.5	0	0	111.6	P61 L62 C67 K68 T69 F189	P61-E65 WeakPolarHBondContact O-CG 3.36Å; P61-E65 PolarHBondContact O-N 2.99Å; L62-E65 WeakPolarHBondContact O-CB 3.32Å; L62-E65 PolarHBondContact O-N 2.63Å; E65-C67 VanDerWaalsContact C-N 3.35Å; E65-C67 PolarHBondContact O-N 2.91Å; E65-K68 WeakPolarHBondContact O-CB 2.98Å; E65-K68 PolarHBondContact O-N 3.39Å; E65-K68 WeakPolarHBondContact OE1-CE 2.93Å; E65-K68 IonicContact OE1-NZ 3.66Å; E65-K68 PolarHBondContact OE1-NZ 3.3Å; E65-K68 WeakPolarHBondContact OE2-CE 3.1Å; E65-K68 IonicContact OE2-NZ 3.92Å; E65-K68 PolarHBondContact OE2-NZ 3.47Å; E65-T69 WeakPolarHBondContact O-CG2 3.37Å; E65-T69 PolarHBondContact O-N 2.88Å; E65-T69 VanDerWaalsContact O-N 3.14Å; E65-F189 HydrophobicContact CB-CZ 4.06Å
66	F	97.9	Very high	96.5	Very high	1 Å²	1	35.7 Å²	35.7	0%	0.004	20%	0.202	C	C	.	.	H	α-helix	trans	-56.4	-47.8	173.1	170	-115.6	0	0	0	111.6	L62 F63 Y64 K68 T69 L70 F164 L167 L182 L186 F189	L62-F66 PolarHBondContact O-N 2.98Å; F63-F66 HydrophobicContact CD2-CD1 4.49Å; F63-F66 HydrophobicContact CE2-CD1 4.4Å; F63-F66 WeakPolarHBondContact O-CB 3.35Å; F63-F66 PolarHBondContact O-N 2.97Å; Y64-F66 VanDerWaalsContact C-N 3.31Å; Y64-F66 PolarHBondContact O-N 3.2Å; F66-K68 VanDerWaalsContact C-N 3.27Å; F66-K68 PolarHBondContact O-N 3.35Å; F66-T69 WeakPolarHBondContact O-CA 3.42Å; F66-T69 WeakPolarHBondContact O-CB 3.44Å; F66-T69 PolarHBondContact O-N 2.95Å; F66-T69 PolarHBondContact O-OG1 3.05Å; F66-L70 HydrophobicContact CD1-CD1 4.3Å; F66-L70 HydrophobicContact CE1-CD1 3.69Å; F66-L70 HydrophobicContact CE1-CG 4.45Å; F66-L70 HydrophobicContact CE2-CD1 4.2Å; F66-L70 HydrophobicContact CE2-CD2 4.01Å; F66-L70 HydrophobicContact CE2-CG 4.13Å; F66-L70 HydrophobicContact CZ-CD1 3.64Å; F66-L70 HydrophobicContact CZ-CD2 4.07Å; F66-L70 HydrophobicContact CZ-CG 4.07Å; F66-L70 PolarHBondContact O-N 3.18Å; F66-F164 HydrophobicContact CB-CE1 3.99Å; F66-F164 HydrophobicContact CB-CZ 4.14Å; F66-F164 HydrophobicContact CD1-CE1 4.27Å; F66-F164 HydrophobicContact CG-CE1 4.08Å; F66-L167 HydrophobicContact CE1-CD2 4.5Å; F66-L182 HydrophobicContact CE1-CD1 4.26Å; F66-L182 HydrophobicContact CZ-CD1 3.89Å; F66-L186 HydrophobicContact CE1-CB 4.28Å; F66-L186 HydrophobicContact CE1-CD1 4.33Å; F66-L186 HydrophobicContact CE1-CG 4.42Å; F66-L186 HydrophobicContact CE2-CB 4.36Å; F66-L186 HydrophobicContact CZ-CB 3.74Å; F66-L186 HydrophobicContact CZ-CG 4.34Å; F66-F189 HydrophobicContact CB-CD1 3.83Å; F66-F189 HydrophobicContact CB-CD2 4.21Å; F66-F189 HydrophobicContact CB-CE1 3.76Å; F66-F189 HydrophobicContact CB-CE2 4.14Å; F66-F189 HydrophobicContact CB-CG 4.06Å; F66-F189 HydrophobicContact CB-CZ 3.92Å; F66-F189 HydrophobicContact CD2-CB 3.67Å; F66-F189 HydrophobicContact CD2-CD1 4.15Å; F66-F189 AromaticContact CD2-CD2 3.94Å; F66-F189 HydrophobicContact CD2-CD2 3.94Å; F66-F189 AromaticContact CD2-CG 3.66Å; F66-F189 HydrophobicContact CD2-CG 3.66Å; F66-F189 HydrophobicContact CE2-CB 4.12Å; F66-F189 HydrophobicContact CG-CD1 4.3Å; F66-F189 HydrophobicContact CG-CG 4.24Å
67	C	98.3	Very high	96.7	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.4	-35.7	178	-66	0	0	0	0	112.7	F63 Y64 E65 T69 L70 R71 P75 A78 L86	F63-C67 PolarHBondContact O-N 2.92Å; F63-C67 PolarHBondContact O-SG 2.86Å; Y64-C67 PolarHBondContact O-N 2.95Å; Y64-C67 VanDerWaalsContact O-N 3.16Å; E65-C67 VanDerWaalsContact C-N 3.35Å; E65-C67 PolarHBondContact O-N 2.91Å; C67-T69 VanDerWaalsContact C-N 3.31Å; C67-T69 PolarHBondContact O-N 3.49Å; C67-L70 PolarHBondContact O-N 3.11Å; C67-R71 PolarHBondContact O-N 3.03Å; C67-P75 WeakPolarHBondContact CB-O 3.45Å; C67-A78 HydrophobicContact CB-CB 3.78Å; C67-A78 WeakPolarHBondContact O-CB 3.35Å; C67-L86 HydrophobicContact CB-CD2 4.25Å
68	K	97.3	Very high	97	Very high	69 Å²	69	38.2 Å²	38.2	30%	0.3	21%	0.214	S	C	.	.	H	α-helix	trans	-63.8	-33.3	172	-71	-169.7	-64.2	171.3	0	113.1	Y64 E65 F66 L70 R71 A72 P75	Y64-K68 HydrophobicContact CD1-CD 4.43Å; Y64-K68 HydrophobicContact CE1-CD 3.83Å; Y64-K68 HydrophobicContact CE1-CG 4.21Å; Y64-K68 PolarHBondContact O-N 3.29Å; E65-K68 WeakPolarHBondContact O-CB 2.98Å; E65-K68 PolarHBondContact O-N 3.39Å; E65-K68 WeakPolarHBondContact OE1-CE 2.93Å; E65-K68 IonicContact OE1-NZ 3.66Å; E65-K68 PolarHBondContact OE1-NZ 3.3Å; E65-K68 WeakPolarHBondContact OE2-CE 3.1Å; E65-K68 IonicContact OE2-NZ 3.92Å; E65-K68 PolarHBondContact OE2-NZ 3.47Å; F66-K68 VanDerWaalsContact C-N 3.27Å; F66-K68 PolarHBondContact O-N 3.35Å; K68-L70 VanDerWaalsContact C-N 3.28Å; K68-L70 PolarHBondContact O-N 3.43Å; K68-R71 CarbonylContact O-C 3.11Å; K68-A72 WeakPolarHBondContact O-CA 3.45Å; K68-A72 PolarHBondContact O-N 3.42Å; K68-P75 HydrophobicContact CG-CB 3.77Å; K68-P75 HydrophobicContact CG-CG 3.64Å
69	T	97.1	Very high	97.1	Very high	93 Å²	93	35 Å²	35	57%	0.571	19%	0.192	S	C	*	.	H	α-helix	trans	-69	-28.1	175.6	69.6	0	0	0	0	112.8	E65 F66 C67 F189	E65-T69 WeakPolarHBondContact O-CG2 3.37Å; E65-T69 PolarHBondContact O-N 2.88Å; E65-T69 VanDerWaalsContact O-N 3.14Å; F66-T69 WeakPolarHBondContact O-CA 3.42Å; F66-T69 WeakPolarHBondContact O-CB 3.44Å; F66-T69 PolarHBondContact O-N 2.95Å; F66-T69 PolarHBondContact O-OG1 3.05Å; C67-T69 VanDerWaalsContact C-N 3.31Å; C67-T69 PolarHBondContact O-N 3.49Å; T69-F189 HydrophobicContact CG2-CD2 4.3Å; T69-F189 HydrophobicContact CG2-CE2 3.99Å
70	L	97.2	Very high	97.1	Very high	62 Å²	62	38 Å²	38	33%	0.325	21%	0.208	S	C	.	.	H	α-helix	trans	-80.1	-44.5	176.1	-59.5	176.5	0	0	0	111.6	F66 C67 K68 A78 L79 L182	F66-L70 HydrophobicContact CD1-CD1 4.3Å; F66-L70 HydrophobicContact CE1-CD1 3.69Å; F66-L70 HydrophobicContact CE1-CG 4.45Å; F66-L70 HydrophobicContact CE2-CD1 4.2Å; F66-L70 HydrophobicContact CE2-CD2 4.01Å; F66-L70 HydrophobicContact CE2-CG 4.13Å; F66-L70 HydrophobicContact CZ-CD1 3.64Å; F66-L70 HydrophobicContact CZ-CD2 4.07Å; F66-L70 HydrophobicContact CZ-CG 4.07Å; F66-L70 PolarHBondContact O-N 3.18Å; C67-L70 PolarHBondContact O-N 3.11Å; K68-L70 VanDerWaalsContact C-N 3.28Å; K68-L70 PolarHBondContact O-N 3.43Å; L70-A78 HydrophobicContact CB-CB 4.2Å; L70-L79 HydrophobicContact CD1-CD2 3.73Å; L70-L182 HydrophobicContact CD1-CD1 3.43Å; L70-L182 VanDerWaalsContact CD1-CD1 3.43Å; L70-L182 HydrophobicContact CD2-CD1 4.13Å; L70-L182 HydrophobicContact CG-CD1 4.43Å
71	R	97	Very high	96.8	Very high	96 Å²	96	44.6 Å²	44.6	36%	0.362	24%	0.244	S	C	.	.			trans	-147.9	96	-176.5	-168	170	-171.4	161.1	-1.3	110.8	C67 K68 D73 A74 P75 A78	C67-R71 PolarHBondContact O-N 3.03Å; K68-R71 CarbonylContact O-C 3.11Å; R71-D73 WeakPolarHBondContact CG-OD1 3Å; R71-D73 IonicContact NE-OD1 3.42Å; R71-D73 IonicContact NE-OD2 3.94Å; R71-D73 IonicContact NH2-OD2 2.85Å; R71-A74 HydrophobicContact CG-CB 4.28Å; R71-A74 CarbonylContact O-C 3.51Å; R71-P75 WeakPolarHBondContact O-CA 3.46Å; R71-A78 HydrophobicContact CB-CB 3.88Å
72	A	96	Very high	96.6	Very high	84 Å²	84	44.8 Å²	44.8	69%	0.694	24%	0.244	S	C	*	.	S	Bend	trans	-71.1	-32.3	-173.7	0	0	0	0	0	113.6	K68	K68-A72 WeakPolarHBondContact O-CA 3.45Å; K68-A72 PolarHBondContact O-N 3.42Å
73	D	96.7	Very high	96.5	Very high	122 Å²	122	44.7 Å²	44.7	65%	0.652	25%	0.245	S	C	*	.	S	Bend	trans	-75.8	-35.3	-179.9	61.3	-48.7	0	0	0	112.8	R71	R71-D73 WeakPolarHBondContact CG-OD1 3Å; R71-D73 IonicContact NE-OD1 3.42Å; R71-D73 IonicContact NE-OD2 3.94Å; R71-D73 IonicContact NH2-OD2 2.85Å
74	A	97.3	Very high	96.4	Very high	19 Å²	19	45 Å²	45	16%	0.157	25%	0.247	C	C	.	.			trans	-136.5	70.7	-179.8	0	0	0	0	0	112.2	R71 L76 E77 A78	R71-A74 HydrophobicContact CG-CB 4.28Å; R71-A74 CarbonylContact O-C 3.51Å; A74-L76 PolarHBondContact O-N 3.03Å; A74-E77 HydrophobicContact CB-CB 4.25Å; A74-E77 CarbonylContact O-C 3.41Å; A74-E77 PolarHBondContact O-N 3.28Å; A74-A78 PolarHBondContact O-N 3.31Å
75	P	97.6	Very high	96.4	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.013	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-62.1	-29.2	-175.1	-23.7	35	0	0	0	114	Y64 C67 K68 R71 E77 A78	Y64-P75 HydrophobicContact CD2-CB 4.46Å; Y64-P75 HydrophobicContact CE2-CB 3.78Å; C67-P75 WeakPolarHBondContact CB-O 3.45Å; K68-P75 HydrophobicContact CG-CB 3.77Å; K68-P75 HydrophobicContact CG-CG 3.64Å; R71-P75 WeakPolarHBondContact O-CA 3.46Å; P75-E77 PolarHBondContact O-N 3.4Å; P75-A78 VanDerWaalsContact O-CB 3.32Å; P75-A78 WeakPolarHBondContact O-CB 3.34Å; P75-A78 PolarHBondContact O-N 3.3Å
76	L	98	Very high	96.4	Very high	16 Å²	16	45.9 Å²	45.9	8%	0.084	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-70.3	-23.1	178.1	-61.8	179.5	0	0	0	113.1	Y64 A74 L86 F90 E91 H94	Y64-L76 HydrophobicContact CE2-CD2 4.41Å; A74-L76 PolarHBondContact O-N 3.03Å; L76-L86 HydrophobicContact CD2-CB 3.94Å; L76-L86 PolarHBondContact O-N 3.21Å; L76-F90 HydrophobicContact CD2-CB 3.85Å; L76-E91 HydrophobicContact CD1-CG 3.75Å; L76-H94 HydrophobicContact CD1-CB 3.94Å; L76-H94 HydrophobicContact CD2-CB 3.9Å; L76-H94 HydrophobicContact CG-CB 3.97Å
77	E	97.6	Very high	96.5	Very high	72 Å²	72	45.9 Å²	45.9	34%	0.336	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-107.3	9.1	-178.5	-57.5	-175.3	164.3	0	0	111.8	A74 P75 L79 L80 R85	A74-E77 HydrophobicContact CB-CB 4.25Å; A74-E77 CarbonylContact O-C 3.41Å; A74-E77 PolarHBondContact O-N 3.28Å; P75-E77 PolarHBondContact O-N 3.4Å; E77-L79 PolarHBondContact O-N 3.26Å; E77-L80 VanDerWaalsContact O-CB 3.31Å; E77-L80 WeakPolarHBondContact O-CB 3.42Å; E77-L80 PolarHBondContact O-N 2.8Å; E77-R85 IonicContact OE1-NH1 3.72Å
78	A	97.7	Very high	96.4	Very high	18 Å²	18	45.9 Å²	45.9	15%	0.149	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-19.6	-177.6	0	0	0	0	0	114.1	C67 L70 R71 A74 P75	C67-A78 HydrophobicContact CB-CB 3.78Å; C67-A78 WeakPolarHBondContact O-CB 3.35Å; L70-A78 HydrophobicContact CB-CB 4.2Å; R71-A78 HydrophobicContact CB-CB 3.88Å; A74-A78 PolarHBondContact O-N 3.31Å; P75-A78 VanDerWaalsContact O-CB 3.32Å; P75-A78 WeakPolarHBondContact O-CB 3.34Å; P75-A78 PolarHBondContact O-N 3.3Å
79	L	96.2	Very high	96.5	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	12.1	-178.2	-53	-179.3	0	0	0	112.9	F63 L70 E77 D81 V82 G83 F84 L86 L167 L182	F63-L79 HydrophobicContact CE1-CD1 4.05Å; F63-L79 HydrophobicContact CZ-CD1 3.91Å; L70-L79 HydrophobicContact CD1-CD2 3.73Å; E77-L79 PolarHBondContact O-N 3.26Å; L79-D81 VanDerWaalsContact C-N 3.28Å; L79-D81 PolarHBondContact O-N 3.04Å; L79-V82 HydrophobicContact CB-CG2 4.05Å; L79-V82 WeakPolarHBondContact O-CG2 3.16Å; L79-V82 PolarHBondContact O-N 2.73Å; L79-V82 VanDerWaalsContact O-N 3.13Å; L79-G83 PolarHBondContact O-N 2.96Å; L79-F84 CarbonylContact C-O 3.51Å; L79-F84 HydrophobicContact CB-CB 3.84Å; L79-F84 HydrophobicContact CD1-CB 4.43Å; L79-F84 PolarHBondContact O-N 2.95Å; L79-F84 VanDerWaalsContact O-O 3.1Å; L79-L86 HydrophobicContact CD1-CD1 3.79Å; L79-L86 HydrophobicContact CG-CD1 4.16Å; L79-L167 HydrophobicContact CD1-CD2 3.88Å; L79-L167 HydrophobicContact CD2-CD2 4.19Å; L79-L182 HydrophobicContact CD2-CD1 3.94Å; L79-L182 HydrophobicContact CD2-CD2 3.94Å
80	L	94.5	Very high	96.5	Very high	71 Å²	71	38.2 Å²	38.2	37%	0.372	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-64.2	-34.9	-173.4	-170.3	63.3	0	0	0	112.2	E77 V82 G83 F84 T126	E77-L80 VanDerWaalsContact O-CB 3.31Å; E77-L80 WeakPolarHBondContact O-CB 3.42Å; E77-L80 PolarHBondContact O-N 2.8Å; L80-V82 PolarHBondContact O-N 3.43Å; L80-G83 WeakPolarHBondContact O-CA 3.21Å; L80-G83 PolarHBondContact O-N 3.36Å; L80-F84 WeakPolarHBondContact CA-O 3.29Å; L80-F84 PolarHBondContact N-O 3.21Å; L80-T126 HydrophobicContact CD1-CG2 3.88Å
81	D	91.4	Very high	96.6	Very high	139 Å²	139	35.6 Å²	35.6	74%	0.743	19%	0.193	S	C	*	.	G	3₁₀ helix	trans	-63.3	-21.7	178.3	-67.7	-13.9	0	0	0	113.4	L79	L79-D81 VanDerWaalsContact C-N 3.28Å; L79-D81 PolarHBondContact O-N 3.04Å
82	V	92.4	Very high	96.6	Very high	14 Å²	14	31.4 Å²	31.4	9%	0.085	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-106.5	14.6	174.5	-59	0	0	0	0	112.3	L79 L80 F84 L171 Q178 H179 L182	L79-V82 HydrophobicContact CB-CG2 4.05Å; L79-V82 WeakPolarHBondContact O-CG2 3.16Å; L79-V82 PolarHBondContact O-N 2.73Å; L79-V82 VanDerWaalsContact O-N 3.13Å; L80-V82 PolarHBondContact O-N 3.43Å; V82-F84 HydrophobicContact CG2-CD2 3.89Å; V82-F84 WeakPolarHBondContact O-CD2 3.23Å; V82-F84 WeakPolarHBondContact O-CE2 3.19Å; V82-L171 HydrophobicContact CB-CD2 4.14Å; V82-L171 HydrophobicContact CG1-CD2 4.21Å; V82-L171 HydrophobicContact CG2-CD2 4.3Å; V82-Q178 HydrophobicContact CG1-CB 4.34Å; V82-H179 WeakPolarHBondContact CG1-CD2 3.19Å; V82-L182 HydrophobicContact CB-CD2 4.2Å; V82-L182 HydrophobicContact CG1-CD2 3.73Å; V82-L182 HydrophobicContact CG2-CD2 3.49Å; V82-L182 VanDerWaalsContact CG2-CD2 3.49Å
83	G	93.2	Very high	96.6	Very high	6 Å²	6	27.4 Å²	27.4	6%	0.062	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	24.7	173.3	0	0	0	0	0	114.9	L79 L80 C125 T126	L79-G83 PolarHBondContact O-N 2.96Å; L80-G83 WeakPolarHBondContact O-CA 3.21Å; L80-G83 PolarHBondContact O-N 3.36Å; G83-C125 CarbonylContact O-C 3.47Å; G83-C125 WeakPolarHBondContact O-CA 3.19Å; G83-C125 PolarHBondContact O-SG 3.09Å; G83-T126 VanDerWaalsContact C-OG1 3.26Å; G83-T126 WeakPolarHBondContact CA-OG1 3.35Å; G83-T126 PolarHBondContact O-N 2.99Å; G83-T126 PolarHBondContact O-OG1 3.19Å
84	F	96.1	Very high	96.6	Very high	7 Å²	7	24.2 Å²	24.2	3%	0.031	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	143	178.1	-62.8	-65.1	0	0	0	113	L79 L80 V82 I123 V124 C125 Y130 I132 L167 T170	L79-F84 CarbonylContact C-O 3.51Å; L79-F84 HydrophobicContact CB-CB 3.84Å; L79-F84 HydrophobicContact CD1-CB 4.43Å; L79-F84 PolarHBondContact O-N 2.95Å; L79-F84 VanDerWaalsContact O-O 3.1Å; L80-F84 WeakPolarHBondContact CA-O 3.29Å; L80-F84 PolarHBondContact N-O 3.21Å; V82-F84 HydrophobicContact CG2-CD2 3.89Å; V82-F84 WeakPolarHBondContact O-CD2 3.23Å; V82-F84 WeakPolarHBondContact O-CE2 3.19Å; F84-I123 HydrophobicContact CB-CG2 3.91Å; F84-I123 HydrophobicContact CD1-CG2 3.64Å; F84-I123 HydrophobicContact CG-CG2 4.08Å; F84-V124 WeakPolarHBondContact CA-O 3.22Å; F84-C125 HydrophobicContact CD1-CB 4.05Å; F84-C125 HydrophobicContact CE1-CB 3.77Å; F84-Y130 HydrophobicContact CE1-CE2 4.16Å; F84-Y130 AromaticContact CE1-CZ 3.81Å; F84-Y130 VanDerWaalsContact CE1-OH 3.22Å; F84-Y130 WeakPolarHBondContact CE1-OH 3.21Å; F84-Y130 WeakPolarHBondContact CZ-OH 3.41Å; F84-I132 HydrophobicContact CE1-CD1 4.32Å; F84-L167 HydrophobicContact CD2-CD1 4.12Å; F84-L167 HydrophobicContact CE2-CD1 4.25Å; F84-T170 HydrophobicContact CE2-CG2 3.82Å; F84-T170 HydrophobicContact CZ-CG2 3.5Å; F84-T170 VanDerWaalsContact CZ-CG2 3.5Å
85	R	97.2	Very high	96.5	Very high	72 Å²	72	28.9 Å²	28.9	27%	0.272	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	136	170	178.4	175.5	165.2	162.3	-5.9	110.3	E77 V87 E91 I123 V124 T126	E77-R85 IonicContact OE1-NH1 3.72Å; R85-V87 HydrophobicContact CG-CG1 4.14Å; R85-E91 IonicContact NH2-OE1 3.73Å; R85-I123 WeakPolarHBondContact O-CA 3.42Å; R85-V124 HydrophobicContact CB-CG2 3.97Å; R85-V124 PolarHBondContact N-O 3.36Å; R85-V124 PolarHBondContact O-N 3.27Å; R85-T126 HydrophobicContact CB-CG2 4.08Å
86	L	98.5	Very high	96.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	132.8	173.7	-77.3	65.4	0	0	0	108.9	F63 C67 L76 L79 F90	F63-L86 HydrophobicContact CD1-CD2 4.41Å; F63-L86 HydrophobicContact CE1-CD1 4.41Å; F63-L86 HydrophobicContact CE1-CD2 4.47Å; C67-L86 HydrophobicContact CB-CD2 4.25Å; L76-L86 HydrophobicContact CD2-CB 3.94Å; L76-L86 PolarHBondContact O-N 3.21Å; L79-L86 HydrophobicContact CD1-CD1 3.79Å; L79-L86 HydrophobicContact CG-CD1 4.16Å; L86-F90 HydrophobicContact CB-CB 3.8Å; L86-F90 HydrophobicContact CB-CD2 3.79Å; L86-F90 HydrophobicContact CB-CG 3.93Å; L86-F90 HydrophobicContact CD2-CB 4.31Å; L86-F90 HydrophobicContact CD2-CD1 3.93Å; L86-F90 HydrophobicContact CD2-CD2 3.86Å; L86-F90 HydrophobicContact CD2-CE1 4.16Å; L86-F90 HydrophobicContact CD2-CE2 4.07Å; L86-F90 HydrophobicContact CD2-CG 3.78Å; L86-F90 HydrophobicContact CD2-CZ 4.22Å; L86-F90 HydrophobicContact CG-CB 4.48Å; L86-F90 HydrophobicContact CG-CD2 3.73Å; L86-F90 HydrophobicContact CG-CE2 4.05Å; L86-F90 HydrophobicContact CG-CG 4.08Å
87	V	98.2	Very high	96	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.006	16%	0.161	C	C	.	.			trans	-141.2	176	-173.3	-64.1	0	0	0	0	112.1	R85 F90 Y110 T121 V122 V124	R85-V87 HydrophobicContact CG-CG1 4.14Å; V87-F90 PolarHBondContact O-N 3.07Å; V87-F90 VanDerWaalsContact O-N 3.13Å; V87-Y110 HydrophobicContact CB-CD1 3.87Å; V87-Y110 HydrophobicContact CB-CD2 4.19Å; V87-Y110 HydrophobicContact CB-CE1 3.61Å; V87-Y110 HydrophobicContact CB-CE2 3.97Å; V87-Y110 HydrophobicContact CB-CG 4.14Å; V87-Y110 HydrophobicContact CG1-CD1 4.26Å; V87-Y110 HydrophobicContact CG1-CE1 3.62Å; V87-Y110 HydrophobicContact CG2-CD1 3.79Å; V87-Y110 HydrophobicContact CG2-CD2 4.5Å; V87-Y110 HydrophobicContact CG2-CE1 4.03Å; V87-Y110 HydrophobicContact CG2-CG 4.03Å; V87-T121 HydrophobicContact CG2-CG2 4.02Å; V87-V122 PolarHBondContact N-O 2.94Å; V87-V124 HydrophobicContact CG1-CG1 4.36Å; V87-V124 HydrophobicContact CG1-CG2 3.74Å; V87-V124 HydrophobicContact CG2-CG1 3.92Å
88	G	98	Very high	95.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	65	-115.9	168.1	0	0	0	0	0	111	F90 E91 I92	G88-F90 PolarHBondContact O-N 3.37Å; G88-F90 VanDerWaalsContact O-N 3.17Å; G88-E91 PolarHBondContact N-OE2 3.17Å; G88-E91 PolarHBondContact O-N 3.05Å; G88-I92 PolarHBondContact O-N 3.13Å
89	P	98.2	Very high	95	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-50.8	-35.8	173.4	-31.2	39.1	0	0	0	114.5	I48 F52 L54 F60 I92 L93 V120 T121 V122	I48-P89 HydrophobicContact CD1-CB 4.34Å; I48-P89 WeakPolarHBondContact CD1-O 3.3Å; I48-P89 HydrophobicContact CG1-CB 4.45Å; I48-P89 HydrophobicContact CG2-CB 3.85Å; I48-P89 HydrophobicContact CG2-CG 4.38Å; F52-P89 HydrophobicContact CD1-CG 4.39Å; F52-P89 HydrophobicContact CD2-CB 4.45Å; F52-P89 HydrophobicContact CD2-CG 3.95Å; F52-P89 HydrophobicContact CE1-CG 4.48Å; F52-P89 HydrophobicContact CE2-CB 4.45Å; F52-P89 HydrophobicContact CE2-CG 4.05Å; F52-P89 HydrophobicContact CG-CG 4.13Å; F52-P89 HydrophobicContact CZ-CG 4.32Å; L54-P89 HydrophobicContact CD2-CB 4.23Å; L54-P89 HydrophobicContact CD2-CG 3.78Å; F60-P89 HydrophobicContact CE2-CB 3.87Å; F60-P89 HydrophobicContact CZ-CB 3.54Å; P89-I92 PolarHBondContact O-N 2.95Å; P89-L93 PolarHBondContact O-N 3.36Å; P89-V120 HydrophobicContact CG-CG1 3.79Å; P89-T121 WeakPolarHBondContact CD-O 3.25Å; P89-V122 HydrophobicContact CB-CG1 4.35Å; P89-V122 HydrophobicContact CG-CG1 3.96Å
90	F	98.4	Very high	94.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-70	-32	179.3	-78.7	-60.3	0	0	0	113	F60 F63 Y64 L76 L86 V87 G88 I92 L93 H94 V122 L163	F60-F90 HydrophobicContact CD2-CD1 4.3Å; F60-F90 AromaticContact CD2-CE1 3.6Å; F60-F90 HydrophobicContact CD2-CE1 3.6Å; F60-F90 HydrophobicContact CD2-CE2 4.01Å; F60-F90 AromaticContact CD2-CZ 3.44Å; F60-F90 HydrophobicContact CD2-CZ 3.44Å; F60-F90 VanDerWaalsContact CD2-CZ 3.44Å; F60-F90 HydrophobicContact CE1-CD1 4.33Å; F60-F90 HydrophobicContact CE1-CE1 4.28Å; F60-F90 AromaticContact CE2-CD1 3.55Å; F60-F90 HydrophobicContact CE2-CD1 3.55Å; F60-F90 AromaticContact CE2-CD2 3.8Å; F60-F90 HydrophobicContact CE2-CD2 3.8Å; F60-F90 AromaticContact CE2-CE1 3.31Å; F60-F90 HydrophobicContact CE2-CE1 3.31Å; F60-F90 AromaticContact CE2-CE2 3.6Å; F60-F90 HydrophobicContact CE2-CE2 3.6Å; F60-F90 AromaticContact CE2-CG 3.78Å; F60-F90 HydrophobicContact CE2-CG 3.78Å; F60-F90 AromaticContact CE2-CZ 3.34Å; F60-F90 HydrophobicContact CE2-CZ 3.34Å; F60-F90 HydrophobicContact CG-CE1 4.22Å; F60-F90 HydrophobicContact CG-CZ 4.36Å; F60-F90 AromaticContact CZ-CD1 3.55Å; F60-F90 HydrophobicContact CZ-CD1 3.55Å; F60-F90 HydrophobicContact CZ-CD2 4.41Å; F60-F90 AromaticContact CZ-CE1 3.67Å; F60-F90 HydrophobicContact CZ-CE1 3.67Å; F60-F90 AromaticContact CZ-CG 3.94Å; F60-F90 HydrophobicContact CZ-CG 3.94Å; F60-F90 HydrophobicContact CZ-CZ 4.18Å; F60-F90 WeakPolarHBondContact O-CE1 3.4Å; F63-F90 HydrophobicContact CB-CZ 4.41Å; F63-F90 HydrophobicContact CD1-CE2 4.36Å; F63-F90 AromaticContact CD1-CZ 3.84Å; F63-F90 HydrophobicContact CD1-CZ 3.84Å; Y64-F90 HydrophobicContact CD2-CD1 4.2Å; Y64-F90 HydrophobicContact CG-CD1 4.48Å; L76-F90 HydrophobicContact CD2-CB 3.85Å; L86-F90 HydrophobicContact CB-CB 3.8Å; L86-F90 HydrophobicContact CB-CD2 3.79Å; L86-F90 HydrophobicContact CB-CG 3.93Å; L86-F90 HydrophobicContact CD2-CB 4.31Å; L86-F90 HydrophobicContact CD2-CD1 3.93Å; L86-F90 HydrophobicContact CD2-CD2 3.86Å; L86-F90 HydrophobicContact CD2-CE1 4.16Å; L86-F90 HydrophobicContact CD2-CE2 4.07Å; L86-F90 HydrophobicContact CD2-CG 3.78Å; L86-F90 HydrophobicContact CD2-CZ 4.22Å; L86-F90 HydrophobicContact CG-CB 4.48Å; L86-F90 HydrophobicContact CG-CD2 3.73Å; L86-F90 HydrophobicContact CG-CE2 4.05Å; L86-F90 HydrophobicContact CG-CG 4.08Å; V87-F90 PolarHBondContact O-N 3.07Å; V87-F90 VanDerWaalsContact O-N 3.13Å; G88-F90 PolarHBondContact O-N 3.37Å; G88-F90 VanDerWaalsContact O-N 3.17Å; F90-I92 VanDerWaalsContact C-N 3.33Å; F90-L93 HydrophobicContact CD1-CD2 4.09Å; F90-L93 HydrophobicContact CE1-CD2 4.39Å; F90-L93 WeakPolarHBondContact O-CB 3.29Å; F90-L93 PolarHBondContact O-N 3.42Å; F90-H94 WeakPolarHBondContact O-CB 3.22Å; F90-H94 PolarHBondContact O-N 3.06Å; F90-V122 HydrophobicContact CD2-CB 4.08Å; F90-V122 WeakPolarHBondContact CD2-O 3.5Å; F90-V122 HydrophobicContact CE2-CB 3.97Å; F90-V122 HydrophobicContact CE2-CG2 4.48Å; F90-L163 HydrophobicContact CE2-CD1 4.05Å; F90-L163 HydrophobicContact CZ-CD1 3.6Å
91	E	97.8	Very high	94.8	Very high	8 Å²	8	46 Å²	46	4%	0.037	24%	0.238	C	C	.	.	H	α-helix	trans	-65.3	-40.4	175.2	-76.1	167.6	129	0	0	110.7	L76 R85 G88 H94 L95 Y110 F287	L76-E91 HydrophobicContact CD1-CG 3.75Å; R85-E91 IonicContact NH2-OE1 3.73Å; G88-E91 PolarHBondContact N-OE2 3.17Å; G88-E91 PolarHBondContact O-N 3.05Å; E91-H94 PolarHBondContact O-N 2.74Å; E91-L95 WeakPolarHBondContact O-CB 3.15Å; E91-L95 PolarHBondContact O-N 3.31Å; E91-Y110 PolarHBondContact OE1-OH 3.28Å; E91-Y110 WeakPolarHBondContact OE2-CE2 3.12Å; E91-Y110 PolarHBondContact OE2-OH 3.19Å; E91-F287 HydrophobicContact CB-CD2 3.99Å; E91-F287 WeakPolarHBondContact OE2-CD2 3.32Å
92	I	97.4	Very high	95	Very high	7 Å²	7	43.6 Å²	43.6	4%	0.036	23%	0.228	C	C	.	.	H	α-helix	trans	-66.1	-38.9	172.2	-58.1	-54	0	0	0	111.5	M47 I48 F52 G88 P89 F90 H94 G96 W106 F287	M47-I92 HydrophobicContact CB-CG2 4.17Å; I48-I92 HydrophobicContact CD1-CB 4.46Å; I48-I92 HydrophobicContact CD1-CG2 4.49Å; I48-I92 HydrophobicContact CG1-CB 3.89Å; I48-I92 HydrophobicContact CG1-CG2 3.73Å; F52-I92 HydrophobicContact CE2-CG1 3.9Å; G88-I92 PolarHBondContact O-N 3.13Å; P89-I92 PolarHBondContact O-N 2.95Å; F90-I92 VanDerWaalsContact C-N 3.33Å; I92-H94 VanDerWaalsContact C-N 3.25Å; I92-H94 PolarHBondContact O-N 3.42Å; I92-G96 WeakPolarHBondContact O-CA 3.44Å; I92-G96 PolarHBondContact O-N 2.8Å; I92-W106 HydrophobicContact CB-CH2 4.5Å; I92-W106 HydrophobicContact CB-CZ3 4.24Å; I92-W106 HydrophobicContact CD1-CD2 4.17Å; I92-W106 HydrophobicContact CD1-CE3 4.13Å; I92-W106 HydrophobicContact CD1-CH2 3.68Å; I92-W106 HydrophobicContact CD1-CZ2 3.72Å; I92-W106 HydrophobicContact CD1-CZ3 3.92Å; I92-W106 HydrophobicContact CG1-CD2 4.27Å; I92-W106 HydrophobicContact CG1-CE3 3.81Å; I92-W106 HydrophobicContact CG1-CH2 3.94Å; I92-W106 HydrophobicContact CG1-CZ2 4.38Å; I92-W106 HydrophobicContact CG1-CZ3 3.65Å; I92-W106 HydrophobicContact CG2-CH2 3.74Å; I92-W106 HydrophobicContact CG2-CZ3 3.64Å; I92-F287 HydrophobicContact CD1-CD1 4.27Å; I92-F287 HydrophobicContact CD1-CE1 3.62Å; I92-F287 HydrophobicContact CD1-CE2 4.08Å; I92-F287 HydrophobicContact CD1-CZ 3.51Å; I92-F287 HydrophobicContact CG1-CE1 4.45Å; I92-F287 HydrophobicContact CG1-CE2 4.16Å; I92-F287 HydrophobicContact CG1-CZ 3.84Å
93	L	97	Very high	95.1	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-62.4	-35.1	174.9	-164.1	69.1	0	0	0	111.9	I41 R44 I45 I48 F60 Y64 P89 F90	I41-L93 HydrophobicContact CD1-CD1 4.4Å; I41-L93 HydrophobicContact CD1-CG 4.46Å; I41-L93 HydrophobicContact CG2-CD1 3.97Å; R44-L93 HydrophobicContact CB-CD1 4.1Å; R44-L93 WeakPolarHBondContact CD-O 3.31Å; R44-L93 PolarHBondContact NH1-O 3.23Å; I45-L93 HydrophobicContact CG1-CD1 4Å; I48-L93 HydrophobicContact CD1-CB 4.05Å; I48-L93 HydrophobicContact CD1-CD1 4.12Å; F60-L93 HydrophobicContact CD1-CD2 4.35Å; F60-L93 HydrophobicContact CE1-CB 4.38Å; F60-L93 HydrophobicContact CE1-CD1 4.33Å; F60-L93 HydrophobicContact CE1-CD2 3.78Å; F60-L93 HydrophobicContact CE1-CG 4.4Å; F60-L93 HydrophobicContact CZ-CD2 4.33Å; Y64-L93 HydrophobicContact CD1-CD2 3.72Å; Y64-L93 HydrophobicContact CD1-CG 4.26Å; Y64-L93 HydrophobicContact CD2-CD2 4.21Å; Y64-L93 HydrophobicContact CE1-CD2 4.48Å; Y64-L93 HydrophobicContact CG-CD2 3.56Å; Y64-L93 HydrophobicContact CG-CG 4.41Å; P89-L93 PolarHBondContact O-N 3.36Å; F90-L93 HydrophobicContact CD1-CD2 4.09Å; F90-L93 HydrophobicContact CE1-CD2 4.39Å; F90-L93 WeakPolarHBondContact O-CB 3.29Å; F90-L93 PolarHBondContact O-N 3.42Å
94	H	96.5	Very high	95.2	Very high	56 Å²	56	51 Å²	51	26%	0.259	26%	0.261	S	S	.	.	H	α-helix	trans	-82.8	-41.8	-177.9	-177.8	65.8	0	0	0	113.5	R44 Y64 L76 F90 E91 I92	R44-H94 PolarHBondContact NH1-O 2.91Å; Y64-H94 HydrophobicContact CE2-CB 3.99Å; Y64-H94 AromaticContact CZ-ND1 3.79Å; Y64-H94 PolarHBondContact OH-ND1 3.26Å; L76-H94 HydrophobicContact CD1-CB 3.94Å; L76-H94 HydrophobicContact CD2-CB 3.9Å; L76-H94 HydrophobicContact CG-CB 3.97Å; F90-H94 WeakPolarHBondContact O-CB 3.22Å; F90-H94 PolarHBondContact O-N 3.06Å; E91-H94 PolarHBondContact O-N 2.74Å; I92-H94 VanDerWaalsContact C-N 3.25Å; I92-H94 PolarHBondContact O-N 3.42Å
95	L	94.2	Very high	95.2	Very high	117 Å²	117	53.7 Å²	53.7	61%	0.613	27%	0.274	S	S	*	.	H	α-helix	trans	-104.3	-22.5	-172.2	-59.5	174.3	0	0	0	113.8	E91	E91-L95 WeakPolarHBondContact O-CB 3.15Å; E91-L95 PolarHBondContact O-N 3.31Å
96	G	94	Very high	95.1	Very high	14 Å²	14	50.7 Å²	50.7	14%	0.144	26%	0.263	C	S	.	.			trans	69.8	-164.3	-169	0	0	0	0	0	112.9	I92	I92-G96 WeakPolarHBondContact O-CA 3.44Å; I92-G96 PolarHBondContact O-N 2.8Å
97	S	91	Very high	95	Very high	32 Å²	32	50.9 Å²	50.9	22%	0.224	26%	0.264	C	S	.	.			trans	-130.1	134.1	170.8	179.6	0	0	0	0	109.6	E99	S97-E99 PolarHBondContact OG-N 2.84Å; S97-E99 PolarHBondContact OG-O 3.25Å
98	K	86.9	Confident	94.9	Very high	220 Å²	220	51.6 Å²	51.6	96%	0.957	27%	0.268	S	S	*	.	S	Bend	trans	-78	-27.4	173.5	-64.4	-177.3	-177.3	176.5	0	112
99	E	88.7	Confident	94.9	Very high	136 Å²	136	54.7 Å²	54.7	64%	0.636	28%	0.28	S	S	*	.	S	Bend	trans	-100.8	152.7	-177.6	-64.3	-176.3	174.2	0	0	111.5	S97 V101	S97-E99 PolarHBondContact OG-N 2.84Å; S97-E99 PolarHBondContact OG-O 3.25Å; E99-V101 PolarHBondContact O-N 2.95Å
100	P	91.3	Very high	94.9	Very high	119 Å²	119	55.4 Å²	55.4	77%	0.773	28%	0.283	S	S	*	.	P	Polyproline II helix	trans	-55.3	127.6	170.6	-23.4	34.1	0	0	0	111.1
101	V	94.2	Very high	94.8	Very high	19 Å²	19	56 Å²	56	12%	0.115	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-81.6	123.4	-177.3	-176.9	0	0	0	0	110	M47 Q50 E99 Q105 W106	M47-V101 HydrophobicContact CB-CG2 4.02Å; M47-V101 HydrophobicContact CG-CG2 3.89Å; M47-V101 HydrophobicContact SD-CG2 4.41Å; Q50-V101 HydrophobicContact CB-CG1 4.06Å; Q50-V101 PolarHBondContact OE1-O 2.87Å; E99-V101 PolarHBondContact O-N 2.95Å; V101-Q105 VanDerWaalsContact CA-OE1 3.28Å; V101-W106 HydrophobicContact CB-CH2 4.29Å; V101-W106 HydrophobicContact CG1-CE3 4.43Å; V101-W106 HydrophobicContact CG1-CH2 3.8Å; V101-W106 HydrophobicContact CG1-CZ2 4.18Å; V101-W106 HydrophobicContact CG1-CZ3 3.91Å; V101-W106 HydrophobicContact CG2-CH2 3.43Å; V101-W106 VanDerWaalsContact CG2-CH2 3.43Å; V101-W106 HydrophobicContact CG2-CZ2 3.84Å; V101-W106 HydrophobicContact CG2-CZ3 4.26Å
102	T	94.7	Very high	94.6	Very high	88 Å²	88	57 Å²	57	54%	0.54	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-88.6	151.9	171.7	62.9	0	0	0	0	111	G104 Q105	T102-G104 PolarHBondContact O-N 2.89Å; T102-Q105 VanDerWaalsContact O-CB 3.27Å; T102-Q105 WeakPolarHBondContact O-CB 3.32Å; T102-Q105 PolarHBondContact O-N 2.99Å; T102-Q105 VanDerWaalsContact O-N 3.09Å; T102-Q105 WeakPolarHBondContact OG1-CB 3.03Å
103	K	94.5	Very high	94.4	Very high	159 Å²	159	58.3 Å²	58.3	69%	0.691	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	125.5	176	-72.4	-172.1	179	-174.8	0	110.8	Q50 Q105	Q50-K103 CarbonylContact O-C 3.43Å; Q50-K103 WeakPolarHBondContact O-CA 3.33Å; K103-Q105 VanDerWaalsContact C-N 3.26Å; K103-Q105 PolarHBondContact O-N 2.85Å
104	G	95.3	Very high	94.1	Very high	15 Å²	15	60.2 Å²	60.2	16%	0.155	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	74	9.2	178.2	0	0	0	0	0	115.5	Q50 G51 H53 T102 W106 S107	Q50-G104 PolarHBondContact O-N 3.42Å; G51-G104 CarbonylContact O-C 3.53Å; G51-G104 VanDerWaalsContact O-CA 3.23Å; G51-G104 WeakPolarHBondContact O-CA 3.34Å; H53-G104 WeakPolarHBondContact NE2-CA 3.49Å; H53-G104 PolarHBondContact NE2-N 3.17Å; T102-G104 PolarHBondContact O-N 2.89Å; G104-W106 PolarHBondContact O-N 3.25Å; G104-S107 WeakPolarHBondContact CA-OG 3.43Å; G104-S107 VanDerWaalsContact O-CB 3.29Å; G104-S107 WeakPolarHBondContact O-CB 3.18Å; G104-S107 PolarHBondContact O-N 3.45Å; G104-S107 PolarHBondContact O-OG 3.05Å
105	Q	96.2	Very high	94.1	Very high	64 Å²	64	57.7 Å²	57.7	30%	0.299	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-35.6	-177.7	-174.4	175.2	-11.7	0	0	113.7	G51 V101 T102 K103	G51-Q105 PolarHBondContact O-N 2.8Å; V101-Q105 VanDerWaalsContact CA-OE1 3.28Å; T102-Q105 VanDerWaalsContact O-CB 3.27Å; T102-Q105 WeakPolarHBondContact O-CB 3.32Å; T102-Q105 PolarHBondContact O-N 2.99Å; T102-Q105 VanDerWaalsContact O-N 3.09Å; T102-Q105 WeakPolarHBondContact OG1-CB 3.03Å; K103-Q105 VanDerWaalsContact C-N 3.26Å; K103-Q105 PolarHBondContact O-N 2.85Å
106	W	96.7	Very high	94.1	Very high	9 Å²	9	53.1 Å²	53.1	3%	0.034	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	15.2	-176	-51.7	-46.5	0	0	0	112.9	M47 G51 F52 I92 V101 G104 N108 Y109 F287	M47-W106 HydrophobicContact CB-CH2 4.27Å; M47-W106 HydrophobicContact CB-CZ3 4.31Å; M47-W106 WeakPolarHBondContact O-CZ3 3.4Å; G51-W106 PolarHBondContact O-N 3.41Å; F52-W106 HydrophobicContact CD1-CB 4.07Å; F52-W106 WeakPolarHBondContact CD1-O 3.45Å; F52-W106 HydrophobicContact CD2-CB 4.21Å; F52-W106 AromaticContact CD2-CE3 3.81Å; F52-W106 HydrophobicContact CD2-CE3 3.81Å; F52-W106 HydrophobicContact CE1-CB 3.69Å; F52-W106 WeakPolarHBondContact CE1-O 3.16Å; F52-W106 HydrophobicContact CE2-CB 3.84Å; F52-W106 HydrophobicContact CE2-CD2 4.22Å; F52-W106 AromaticContact CE2-CE3 3.66Å; F52-W106 HydrophobicContact CE2-CE3 3.66Å; F52-W106 HydrophobicContact CE2-CG 4.35Å; F52-W106 HydrophobicContact CG-CB 4.31Å; F52-W106 HydrophobicContact CZ-CB 3.56Å; F52-W106 HydrophobicContact CZ-CE3 4.49Å; F52-W106 HydrophobicContact CZ-CG 4.35Å; I92-W106 HydrophobicContact CB-CH2 4.5Å; I92-W106 HydrophobicContact CB-CZ3 4.24Å; I92-W106 HydrophobicContact CD1-CD2 4.17Å; I92-W106 HydrophobicContact CD1-CE3 4.13Å; I92-W106 HydrophobicContact CD1-CH2 3.68Å; I92-W106 HydrophobicContact CD1-CZ2 3.72Å; I92-W106 HydrophobicContact CD1-CZ3 3.92Å; I92-W106 HydrophobicContact CG1-CD2 4.27Å; I92-W106 HydrophobicContact CG1-CE3 3.81Å; I92-W106 HydrophobicContact CG1-CH2 3.94Å; I92-W106 HydrophobicContact CG1-CZ2 4.38Å; I92-W106 HydrophobicContact CG1-CZ3 3.65Å; I92-W106 HydrophobicContact CG2-CH2 3.74Å; I92-W106 HydrophobicContact CG2-CZ3 3.64Å; V101-W106 HydrophobicContact CB-CH2 4.29Å; V101-W106 HydrophobicContact CG1-CE3 4.43Å; V101-W106 HydrophobicContact CG1-CH2 3.8Å; V101-W106 HydrophobicContact CG1-CZ2 4.18Å; V101-W106 HydrophobicContact CG1-CZ3 3.91Å; V101-W106 HydrophobicContact CG2-CH2 3.43Å; V101-W106 VanDerWaalsContact CG2-CH2 3.43Å; V101-W106 HydrophobicContact CG2-CZ2 3.84Å; V101-W106 HydrophobicContact CG2-CZ3 4.26Å; G104-W106 PolarHBondContact O-N 3.25Å; W106-N108 PolarHBondContact O-N 2.88Å; W106-Y109 HydrophobicContact CB-CD2 3.95Å; W106-Y109 HydrophobicContact CB-CG 4.22Å; W106-Y109 AromaticContact CD1-CE2 3.9Å; W106-Y109 HydrophobicContact CG-CD2 4.43Å; W106-Y109 WeakPolarHBondContact O-CB 3.49Å; W106-Y109 PolarHBondContact O-N 3.26Å; W106-F287 HydrophobicContact CB-CZ 4.06Å; W106-F287 AromaticContact CD1-CE1 3.59Å; W106-F287 AromaticContact CD1-CZ 3.79Å; W106-F287 HydrophobicContact CD2-CE1 4.27Å; W106-F287 HydrophobicContact CD2-CZ 4.02Å; W106-F287 AromaticContact CG-CE1 3.98Å; W106-F287 HydrophobicContact CG-CE1 3.98Å; W106-F287 AromaticContact CG-CZ 3.69Å; W106-F287 HydrophobicContact CG-CZ 3.69Å; W106-F287 AromaticContact NE1-CE1 3.68Å
107	S	96.2	Very high	94.3	Very high	5 Å²	5	52.6 Å²	52.6	4%	0.035	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-28.2	-175.1	-62.6	0	0	0	0	114.1	G51 G104 R111	G51-S107 PolarHBondContact O-N 2.74Å; G104-S107 WeakPolarHBondContact CA-OG 3.43Å; G104-S107 VanDerWaalsContact O-CB 3.29Å; G104-S107 WeakPolarHBondContact O-CB 3.18Å; G104-S107 PolarHBondContact O-N 3.45Å; G104-S107 PolarHBondContact O-OG 3.05Å; S107-R111 PolarHBondContact O-NE 2.96Å; S107-R111 PolarHBondContact O-NH2 3.47Å
108	N	96.4	Very high	94.6	Very high	16 Å²	16	51.6 Å²	51.6	9%	0.086	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-2.8	178.8	-71.1	-2.4	0	0	0	113.7	W106 R111 S275 H276 L285	W106-N108 PolarHBondContact O-N 2.88Å; N108-R111 PolarHBondContact O-N 3.45Å; N108-S275 PolarHBondContact ND2-O 3.24Å; N108-S275 VanDerWaalsContact ND2-O 3.1Å; N108-S275 PolarHBondContact ND2-OG 3.09Å; N108-S275 VanDerWaalsContact ND2-OG 3.09Å; N108-H276 WeakPolarHBondContact OD1-CA 3.2Å; N108-H276 PolarHBondContact OD1-N 2.83Å; N108-L285 HydrophobicContact CB-CD1 4.1Å
109	Y	97.5	Very high	95.1	Very high	65 Å²	65	41.2 Å²	41.2	26%	0.255	21%	0.209	S	C	.	.	B	Isolated β-bridge	trans	-75.4	128.9	178.6	-76.2	-115.5	0	0	0	109.5	W106 R111 L285 T286 F287	W106-Y109 HydrophobicContact CB-CD2 3.95Å; W106-Y109 HydrophobicContact CB-CG 4.22Å; W106-Y109 AromaticContact CD1-CE2 3.9Å; W106-Y109 HydrophobicContact CG-CD2 4.43Å; W106-Y109 WeakPolarHBondContact O-CB 3.49Å; W106-Y109 PolarHBondContact O-N 3.26Å; Y109-R111 PolarHBondContact O-N 3.02Å; Y109-L285 CarbonylContact C-O 3.56Å; Y109-L285 WeakPolarHBondContact CA-O 3.34Å; Y109-L285 HydrophobicContact CD1-CB 4.35Å; Y109-L285 HydrophobicContact CD2-CB 4.2Å; Y109-L285 HydrophobicContact CD2-CD1 4.45Å; Y109-L285 HydrophobicContact CE2-CB 4.43Å; Y109-L285 HydrophobicContact CE2-CD1 4.26Å; Y109-L285 HydrophobicContact CG-CB 4.18Å; Y109-T286 VanDerWaalsContact CE1-O 3.32Å; Y109-T286 WeakPolarHBondContact CE1-O 3.45Å; Y109-F287 AromaticContact CD1-CD1 3.67Å; Y109-F287 HydrophobicContact CD1-CD1 3.67Å; Y109-F287 AromaticContact CD1-CD2 3.87Å; Y109-F287 HydrophobicContact CD1-CD2 3.87Å; Y109-F287 AromaticContact CD1-CE1 3.51Å; Y109-F287 HydrophobicContact CD1-CE1 3.51Å; Y109-F287 AromaticContact CD1-CE2 3.73Å; Y109-F287 HydrophobicContact CD1-CE2 3.73Å; Y109-F287 AromaticContact CD1-CG 3.84Å; Y109-F287 HydrophobicContact CD1-CG 3.84Å; Y109-F287 AromaticContact CD1-CZ 3.54Å; Y109-F287 HydrophobicContact CD1-CZ 3.54Å; Y109-F287 AromaticContact CE1-CD1 3.49Å; Y109-F287 HydrophobicContact CE1-CD1 3.49Å; Y109-F287 VanDerWaalsContact CE1-CD1 3.49Å; Y109-F287 HydrophobicContact CE1-CD2 4.49Å; Y109-F287 AromaticContact CE1-CE1 3.51Å; Y109-F287 HydrophobicContact CE1-CE1 3.51Å; Y109-F287 HydrophobicContact CE1-CG 4.01Å; Y109-F287 HydrophobicContact CE1-CZ 4.05Å; Y109-F287 HydrophobicContact CG-CE1 4.2Å; Y109-F287 HydrophobicContact CG-CE2 4.21Å; Y109-F287 AromaticContact CG-CZ 3.91Å; Y109-F287 HydrophobicContact CG-CZ 3.91Å
110	Y	97	Very high	95.5	Very high	15 Å²	15	34.9 Å²	34.9	6%	0.059	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	52	23.2	-171.2	-64.2	-88.3	0	0	0	114	V87 E91 F112 T121 V124 L285 T286 F287	V87-Y110 HydrophobicContact CB-CD1 3.87Å; V87-Y110 HydrophobicContact CB-CD2 4.19Å; V87-Y110 HydrophobicContact CB-CE1 3.61Å; V87-Y110 HydrophobicContact CB-CE2 3.97Å; V87-Y110 HydrophobicContact CB-CG 4.14Å; V87-Y110 HydrophobicContact CG1-CD1 4.26Å; V87-Y110 HydrophobicContact CG1-CE1 3.62Å; V87-Y110 HydrophobicContact CG2-CD1 3.79Å; V87-Y110 HydrophobicContact CG2-CD2 4.5Å; V87-Y110 HydrophobicContact CG2-CE1 4.03Å; V87-Y110 HydrophobicContact CG2-CG 4.03Å; E91-Y110 PolarHBondContact OE1-OH 3.28Å; E91-Y110 WeakPolarHBondContact OE2-CE2 3.12Å; E91-Y110 PolarHBondContact OE2-OH 3.19Å; Y110-F112 WeakPolarHBondContact O-CD2 3.48Å; Y110-F112 PolarHBondContact O-N 3.37Å; Y110-T121 VanDerWaalsContact O-CB 3.25Å; Y110-T121 WeakPolarHBondContact O-CB 3.47Å; Y110-T121 PolarHBondContact O-OG1 3.33Å; Y110-V124 HydrophobicContact CD1-CG1 4.28Å; Y110-L285 PolarHBondContact N-O 2.98Å; Y110-T286 HydrophobicContact CD1-CG2 4.41Å; Y110-T286 HydrophobicContact CE1-CG2 3.77Å; Y110-T286 HydrophobicContact CE2-CG2 4.23Å; Y110-F287 HydrophobicContact CE2-CD2 4.14Å
111	R	96.6	Very high	95.9	Very high	12 Å²	12	29.4 Å²	29.4	5%	0.045	14%	0.144	C	C	.	.			trans	-88	99.7	171.8	-179.9	169.6	-62.6	-66.5	-12.4	108.6	S107 N108 Y109 D115 P116 F119 V272 H276 P284	S107-R111 PolarHBondContact O-NE 2.96Å; S107-R111 PolarHBondContact O-NH2 3.47Å; N108-R111 PolarHBondContact O-N 3.45Å; Y109-R111 PolarHBondContact O-N 3.02Å; R111-D115 HydrophobicContact CG-CB 3.97Å; R111-D115 PolarHBondContact NH1-O 2.92Å; R111-P116 PolarHBondContact NH1-O 2.94Å; R111-F119 PolarHBondContact NH1-O 3.49Å; R111-F119 VanDerWaalsContact NH1-O 3.14Å; R111-F119 PolarHBondContact NH2-O 3.39Å; R111-F119 VanDerWaalsContact NH2-O 3.08Å; R111-V272 VanDerWaalsContact CZ-CG1 3.42Å; R111-H276 WeakPolarHBondContact CD-ND1 3.45Å; R111-P284 WeakPolarHBondContact O-CB 3.31Å
112	F	94.4	Very high	96.1	Very high	28 Å²	28	28.5 Å²	28.5	12%	0.123	14%	0.139	C	C	.	.			trans	-71	162.2	179.5	-68.5	-93.5	0	0	0	111	Y110 H114 D115 T121 V124 H131 P150 P284	Y110-F112 WeakPolarHBondContact O-CD2 3.48Å; Y110-F112 PolarHBondContact O-N 3.37Å; F112-H114 PolarHBondContact O-N 3.41Å; F112-D115 PolarHBondContact N-OD2 2.87Å; F112-D115 WeakPolarHBondContact O-CB 3.13Å; F112-D115 PolarHBondContact O-N 3.17Å; F112-T121 HydrophobicContact CE2-CG2 4.2Å; F112-V124 HydrophobicContact CE2-CG1 4.37Å; F112-V124 HydrophobicContact CZ-CG1 4.19Å; F112-H131 HydrophobicContact CD2-CB 4.35Å; F112-H131 AromaticContact CD2-CD2 3.41Å; F112-H131 VanDerWaalsContact CD2-CD2 3.41Å; F112-H131 WeakPolarHBondContact CD2-CD2 3.27Å; F112-H131 AromaticContact CD2-CE1 3.47Å; F112-H131 VanDerWaalsContact CD2-CE1 3.47Å; F112-H131 WeakPolarHBondContact CD2-CE1 3.27Å; F112-H131 AromaticContact CD2-CG 3.58Å; F112-H131 AromaticContact CD2-ND1 3.65Å; F112-H131 AromaticContact CD2-NE2 3.34Å; F112-H131 VanDerWaalsContact CD2-NE2 3.34Å; F112-H131 WeakPolarHBondContact CD2-NE2 3.27Å; F112-H131 HydrophobicContact CE2-CB 3.82Å; F112-H131 AromaticContact CE2-CD2 3.71Å; F112-H131 AromaticContact CE2-CG 3.56Å; F112-H131 AromaticContact CE2-ND1 3.91Å; F112-H131 AromaticContact CG-CE1 3.63Å; F112-H131 AromaticContact CG-ND1 3.95Å; F112-H131 AromaticContact CG-NE2 3.88Å; F112-H131 HydrophobicContact CZ-CB 4.34Å; F112-P150 HydrophobicContact CB-CB 4.15Å; F112-P150 HydrophobicContact CB-CG 3.94Å; F112-P150 HydrophobicContact CD1-CB 3.84Å; F112-P150 HydrophobicContact CD1-CG 3.32Å; F112-P150 HydrophobicContact CD2-CG 4.47Å; F112-P150 HydrophobicContact CE1-CG 3.87Å; F112-P150 HydrophobicContact CG-CB 4.27Å; F112-P150 HydrophobicContact CG-CG 3.65Å; F112-P284 HydrophobicContact CD1-CG 3.93Å; F112-P284 HydrophobicContact CD2-CG 4.44Å; F112-P284 HydrophobicContact CE1-CG 3.75Å; F112-P284 HydrophobicContact CE2-CG 4.27Å; F112-P284 HydrophobicContact CG-CG 4.3Å; F112-P284 HydrophobicContact CZ-CG 3.94Å
113	Y	92.3	Very high	96.2	Very high	35 Å²	35	24.6 Å²	24.6	14%	0.137	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-33.9	-170.4	-175.1	-97.1	0	0	0	115	N247 R280 I282	Y113-N247 PolarHBondContact OH-ND2 3.46Å; Y113-N247 PolarHBondContact OH-OD1 3.43Å; Y113-R280 HydrophobicContact CD2-CG 3.89Å; Y113-R280 HydrophobicContact CE2-CG 3.95Å; Y113-R280 VanDerWaalsContact O-CZ 3.27Å; Y113-R280 PolarHBondContact O-NE 3Å; Y113-R280 PolarHBondContact O-NH2 3.44Å; Y113-I282 HydrophobicContact CD2-CG1 4.48Å
114	H	92.3	Very high	96.3	Very high	41 Å²	41	18.2 Å²	18.2	19%	0.19	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-0.6	-179.7	-69.2	-69.8	0	0	0	114.9	F112 P116 P150 G154	F112-H114 PolarHBondContact O-N 3.41Å; H114-P116 WeakPolarHBondContact O-CD 3.25Å; H114-P150 PolarHBondContact CD2-O 2.86Å; H114-G154 VanDerWaalsContact CB-CA 3.45Å
115	D	95.3	Very high	96.3	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.011	9%	0.086	C	C	.	.			trans	-71.2	118.2	-174.3	-72	-9.1	0	0	0	110.9	R111 F112 F119 T121 H131	R111-D115 HydrophobicContact CG-CB 3.97Å; R111-D115 PolarHBondContact NH1-O 2.92Å; F112-D115 PolarHBondContact N-OD2 2.87Å; F112-D115 WeakPolarHBondContact O-CB 3.13Å; F112-D115 PolarHBondContact O-N 3.17Å; D115-F119 HydrophobicContact CB-CD1 4.12Å; D115-T121 PolarHBondContact OD2-OG1 3.47Å; D115-H131 VanDerWaalsContact CG-NE2 3.29Å; D115-H131 IonicContact OD1-CE1 3.65Å; D115-H131 PolarHBondContact OD1-CE1 3.06Å; D115-H131 IonicContact OD1-NE2 3.69Å; D115-H131 PolarHBondContact OD1-NE2 3.37Å; D115-H131 IonicContact OD2-CD2 2.98Å; D115-H131 IonicContact OD2-CE1 2.7Å; D115-H131 IonicContact OD2-NE2 3.24Å; D115-H131 PolarHBondContact OD2-NE2 3.43Å
116	P	95.7	Very high	96.1	Very high	22 Å²	22	18.6 Å²	18.6	14%	0.143	9%	0.093	C	C	.	.			trans	-75	161.7	178.3	37	-39.2	0	0	0	110.3	R111 H114 E118 F119 F135 L156	R111-P116 PolarHBondContact NH1-O 2.94Å; H114-P116 WeakPolarHBondContact O-CD 3.25Å; P116-E118 WeakPolarHBondContact CB-OE2 3.22Å; P116-E118 PolarHBondContact O-N 3.31Å; P116-F119 HydrophobicContact CG-CB 4.07Å; P116-F119 WeakPolarHBondContact O-CB 3.23Å; P116-F119 PolarHBondContact O-N 3.46Å; P116-F135 HydrophobicContact CG-CE2 4.16Å; P116-L156 HydrophobicContact CG-CD1 4.01Å
117	P	97	Very high	95.5	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.013	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-30.2	-179.8	-30.7	38.8	0	0	0	115.4	F119 Y261 F269 V272 I273	P117-F119 PolarHBondContact O-N 3.05Å; P117-Y261 HydrophobicContact CB-CE2 4.31Å; P117-Y261 HydrophobicContact CG-CE2 3.74Å; P117-F269 HydrophobicContact CB-CB 3.73Å; P117-F269 HydrophobicContact CB-CD1 3.99Å; P117-F269 HydrophobicContact CB-CG 3.91Å; P117-V272 HydrophobicContact CB-CB 4.07Å; P117-V272 HydrophobicContact CB-CG1 3.96Å; P117-V272 HydrophobicContact CG-CG1 4.33Å; P117-I273 HydrophobicContact CG-CB 3.72Å; P117-I273 HydrophobicContact CG-CD1 4.1Å; P117-I273 HydrophobicContact CG-CG1 4.33Å
118	E	97.7	Very high	94.8	Very high	12 Å²	12	27 Å²	27	6%	0.056	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-24.2	176.6	-68.4	83.8	174.1	0	0	113.3	P116 F135 R136 Y261 F269	P116-E118 WeakPolarHBondContact CB-OE2 3.22Å; P116-E118 PolarHBondContact O-N 3.31Å; E118-F135 HydrophobicContact CB-CD1 4.34Å; E118-F135 HydrophobicContact CB-CD2 4.03Å; E118-F135 HydrophobicContact CB-CE1 3.95Å; E118-F135 HydrophobicContact CB-CE2 3.63Å; E118-F135 HydrophobicContact CB-CG 4.37Å; E118-F135 HydrophobicContact CB-CZ 3.58Å; E118-F135 HydrophobicContact CG-CE1 4.19Å; E118-F135 HydrophobicContact CG-CE2 4.35Å; E118-F135 HydrophobicContact CG-CZ 3.85Å; E118-F135 WeakPolarHBondContact O-CA 3.39Å; E118-R136 WeakPolarHBondContact CB-O 3.36Å; E118-R136 WeakPolarHBondContact CG-O 3.23Å; E118-R136 PolarHBondContact O-N 3.09Å; E118-Y261 VanDerWaalsContact OE1-CE1 3.26Å; E118-Y261 WeakPolarHBondContact OE1-CE1 3.31Å; E118-Y261 PolarHBondContact OE1-OH 3.34Å; E118-Y261 PolarHBondContact OE2-OH 3.28Å; E118-F269 HydrophobicContact CB-CZ 4.45Å; E118-F269 HydrophobicContact CG-CD2 4.32Å; E118-F269 HydrophobicContact CG-CE2 3.77Å; E118-F269 HydrophobicContact CG-CZ 4.15Å
119	F	97.6	Very high	94.3	Very high	1 Å²	1	33.2 Å²	33.2	0%	0.004	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	130.3	-171.8	-166.5	-95.7	0	0	0	111.6	R111 D115 P116 P117 H131 G133 Y134 F135 A146 L156	R111-F119 PolarHBondContact NH1-O 3.49Å; R111-F119 VanDerWaalsContact NH1-O 3.14Å; R111-F119 PolarHBondContact NH2-O 3.39Å; R111-F119 VanDerWaalsContact NH2-O 3.08Å; D115-F119 HydrophobicContact CB-CD1 4.12Å; P116-F119 HydrophobicContact CG-CB 4.07Å; P116-F119 WeakPolarHBondContact O-CB 3.23Å; P116-F119 PolarHBondContact O-N 3.46Å; P117-F119 PolarHBondContact O-N 3.05Å; F119-H131 AromaticContact CE1-CD2 3.5Å; F119-H131 VanDerWaalsContact CE1-CD2 3.5Å; F119-H131 WeakPolarHBondContact CE1-CD2 2.86Å; F119-H131 AromaticContact CE1-NE2 3.54Å; F119-G133 WeakPolarHBondContact CE2-O 3.45Å; F119-Y134 WeakPolarHBondContact CA-O 3.44Å; F119-F135 HydrophobicContact CB-CD2 4.41Å; F119-F135 HydrophobicContact CD2-CB 4.27Å; F119-F135 HydrophobicContact CD2-CD2 4.23Å; F119-A146 HydrophobicContact CE2-CB 3.99Å; F119-A146 VanDerWaalsContact CE2-O 3.28Å; F119-A146 WeakPolarHBondContact CE2-O 3.42Å; F119-A146 WeakPolarHBondContact CZ-O 3.36Å; F119-L156 HydrophobicContact CD2-CD2 3.95Å; F119-L156 HydrophobicContact CE2-CD2 3.85Å; F119-L156 HydrophobicContact CG-CD2 4.44Å; F119-L156 HydrophobicContact CZ-CD2 4.25Å
120	V	97.6	Very high	94.2	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.024	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	113.5	174.4	-179	0	0	0	0	108.7	F52 L54 P89 G133 Y134	F52-V120 HydrophobicContact CB-CG1 4.41Å; F52-V120 HydrophobicContact CD1-CG1 3.99Å; F52-V120 HydrophobicContact CG-CG1 4.39Å; L54-V120 HydrophobicContact CD2-CB 4.44Å; L54-V120 HydrophobicContact CD2-CG1 4.06Å; P89-V120 HydrophobicContact CG-CG1 3.79Å; V120-G133 CarbonylContact O-C 3.54Å; V120-G133 WeakPolarHBondContact O-CA 3.34Å; V120-Y134 PolarHBondContact N-O 3.2Å; V120-Y134 PolarHBondContact O-N 3.09Å
121	T	98.2	Very high	94.2	Very high	3 Å²	3	30.2 Å²	30.2	2%	0.018	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	135.9	178.6	-53.5	0	0	0	0	111.4	V87 P89 Y110 F112 D115 V124 H131	V87-T121 HydrophobicContact CG2-CG2 4.02Å; P89-T121 WeakPolarHBondContact CD-O 3.25Å; Y110-T121 VanDerWaalsContact O-CB 3.25Å; Y110-T121 WeakPolarHBondContact O-CB 3.47Å; Y110-T121 PolarHBondContact O-OG1 3.33Å; F112-T121 HydrophobicContact CE2-CG2 4.2Å; D115-T121 PolarHBondContact OD2-OG1 3.47Å; T121-V124 HydrophobicContact CG2-CG1 4.33Å; T121-H131 HydrophobicContact CG2-CB 3.95Å; T121-H131 PolarHBondContact OG1-CD2 2.89Å; T121-H131 VanDerWaalsContact OG1-CD2 3.25Å
122	V	98.4	Very high	94.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	-21.5	176.4	-64.5	0	0	0	0	112.8	F60 V87 P89 F90 I132 Y134 L145 L163	F60-V122 HydrophobicContact CE2-CG1 4.28Å; V87-V122 PolarHBondContact N-O 2.94Å; P89-V122 HydrophobicContact CB-CG1 4.35Å; P89-V122 HydrophobicContact CG-CG1 3.96Å; F90-V122 HydrophobicContact CD2-CB 4.08Å; F90-V122 WeakPolarHBondContact CD2-O 3.5Å; F90-V122 HydrophobicContact CE2-CB 3.97Å; F90-V122 HydrophobicContact CE2-CG2 4.48Å; V122-I132 PolarHBondContact N-O 3.04Å; V122-Y134 HydrophobicContact CG1-CD2 3.78Å; V122-Y134 HydrophobicContact CG1-CE2 4.05Å; V122-Y134 HydrophobicContact CG2-CD2 4.46Å; V122-Y134 HydrophobicContact CG2-CE2 4.49Å; V122-L145 HydrophobicContact CG2-CD1 4.44Å; V122-L163 HydrophobicContact CG2-CD2 3.94Å
123	I	98.1	Very high	94.4	Very high	7 Å²	7	28.5 Å²	28.5	4%	0.036	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	137.5	176.9	-66.6	168.7	0	0	0	108.5	F63 F84 R85 H131 I132 L163	F63-I123 HydrophobicContact CE1-CD1 4.12Å; F63-I123 HydrophobicContact CZ-CD1 4.4Å; F84-I123 HydrophobicContact CB-CG2 3.91Å; F84-I123 HydrophobicContact CD1-CG2 3.64Å; F84-I123 HydrophobicContact CG-CG2 4.08Å; R85-I123 WeakPolarHBondContact O-CA 3.42Å; I123-H131 CarbonylContact O-C 3.39Å; I123-H131 WeakPolarHBondContact O-CA 3.13Å; I123-I132 HydrophobicContact CB-CB 4.22Å; I123-I132 HydrophobicContact CG2-CD1 4.4Å; I123-I132 PolarHBondContact N-O 2.77Å; I123-I132 PolarHBondContact O-N 2.94Å; I123-L163 HydrophobicContact CD1-CD2 3.96Å
124	V	96.8	Very high	94.7	Very high	24 Å²	24	26.9 Å²	26.9	15%	0.145	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	140.5	165.4	-66.7	0	0	0	0	109.3	F84 R85 V87 Y110 F112 T121 H131	F84-V124 WeakPolarHBondContact CA-O 3.22Å; R85-V124 HydrophobicContact CB-CG2 3.97Å; R85-V124 PolarHBondContact N-O 3.36Å; R85-V124 PolarHBondContact O-N 3.27Å; V87-V124 HydrophobicContact CG1-CG1 4.36Å; V87-V124 HydrophobicContact CG1-CG2 3.74Å; V87-V124 HydrophobicContact CG2-CG1 3.92Å; Y110-V124 HydrophobicContact CD1-CG1 4.28Å; F112-V124 HydrophobicContact CE2-CG1 4.37Å; F112-V124 HydrophobicContact CZ-CG1 4.19Å; T121-V124 HydrophobicContact CG2-CG1 4.33Å; V124-H131 HydrophobicContact CG1-CB 4.19Å
125	C	94.7	Very high	94.9	Very high	13 Å²	13	25.1 Å²	25.1	9%	0.088	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	129.2	166.1	-168	0	0	0	0	108.3	G83 F84 S127 E128 Y130	G83-C125 CarbonylContact O-C 3.47Å; G83-C125 WeakPolarHBondContact O-CA 3.19Å; G83-C125 PolarHBondContact O-SG 3.09Å; F84-C125 HydrophobicContact CD1-CB 4.05Å; F84-C125 HydrophobicContact CE1-CB 3.77Å; C125-S127 PolarHBondContact SG-OG 3.17Å; C125-S127 VanDerWaalsContact SG-OG 3.38Å; C125-E128 CarbonylContact C-O 3.52Å; C125-E128 HydrophobicContact CB-CB 4.47Å; C125-E128 VanDerWaalsContact CB-O 3.3Å; C125-E128 WeakPolarHBondContact CB-O 3.41Å; C125-E128 PolarHBondContact SG-N 3.49Å; C125-E128 VanDerWaalsContact SG-N 3.44Å; C125-Y130 HydrophobicContact CB-CD1 3.86Å; C125-Y130 HydrophobicContact CB-CD2 4.16Å; C125-Y130 HydrophobicContact CB-CE1 3.67Å; C125-Y130 HydrophobicContact CB-CE2 4.02Å; C125-Y130 HydrophobicContact CB-CG 4.09Å; C125-Y130 WeakPolarHBondContact CB-O 3.42Å; C125-Y130 PolarHBondContact N-O 3.49Å; C125-Y130 VanDerWaalsContact SG-CE1 3.59Å
126	T	91.6	Very high	95	Very high	75 Å²	75	25.1 Å²	25.1	46%	0.46	14%	0.138	S	C	.	.	S	Bend	trans	-93.4	-22.8	-177.9	57.1	0	0	0	0	112.2	L80 G83 R85	L80-T126 HydrophobicContact CD1-CG2 3.88Å; G83-T126 VanDerWaalsContact C-OG1 3.26Å; G83-T126 WeakPolarHBondContact CA-OG1 3.35Å; G83-T126 PolarHBondContact O-N 2.99Å; G83-T126 PolarHBondContact O-OG1 3.19Å; R85-T126 HydrophobicContact CB-CG2 4.08Å
127	S	84.8	Confident	95	Very high	90 Å²	90	24.9 Å²	24.9	63%	0.629	14%	0.135	S	C	*	.	S	Bend	trans	-89.7	-32.8	176.8	52.8	0	0	0	0	112.9	C125	C125-S127 PolarHBondContact SG-OG 3.17Å; C125-S127 VanDerWaalsContact SG-OG 3.38Å
128	E	81.7	Confident	94.7	Very high	99 Å²	99	26.4 Å²	26.4	46%	0.463	15%	0.146	S	C	.	.	S	Bend	trans	-119.6	146.4	177.9	-60.7	178.5	-155.9	0	0	109.2	C125 Y130	C125-E128 CarbonylContact C-O 3.52Å; C125-E128 HydrophobicContact CB-CB 4.47Å; C125-E128 VanDerWaalsContact CB-O 3.3Å; C125-E128 WeakPolarHBondContact CB-O 3.41Å; C125-E128 PolarHBondContact SG-N 3.49Å; C125-E128 VanDerWaalsContact SG-N 3.44Å; E128-Y130 HydrophobicContact CB-CD1 3.52Å; E128-Y130 HydrophobicContact CB-CE1 3.71Å; E128-Y130 HydrophobicContact CG-CD1 4.48Å; E128-Y130 HydrophobicContact CG-CE1 4.29Å; E128-Y130 PolarHBondContact O-N 3.23Å; E128-Y130 WeakPolarHBondContact OE2-CD1 3.49Å; E128-Y130 WeakPolarHBondContact OE2-CE1 3.46Å
129	Q	86.2	Confident	94.3	Very high	148 Å²	148	26.4 Å²	26.4	69%	0.692	15%	0.147	S	C	*	.	S	Bend	trans	-79.8	47.8	-176.2	-65	-175.6	-14.3	0	0	112.9	T149 P150	Q129-T149 WeakPolarHBondContact O-CG2 3.5Å; Q129-P150 WeakPolarHBondContact O-CD 3.45Å
130	Y	94.2	Very high	93.7	Very high	16 Å²	16	32.9 Å²	32.9	6%	0.063	18%	0.177	C	C	.	.			trans	-124.9	159.1	175.4	80.8	-98.7	0	0	0	111.6	F84 C125 E128 I132 K147 S148	F84-Y130 HydrophobicContact CE1-CE2 4.16Å; F84-Y130 AromaticContact CE1-CZ 3.81Å; F84-Y130 VanDerWaalsContact CE1-OH 3.22Å; F84-Y130 WeakPolarHBondContact CE1-OH 3.21Å; F84-Y130 WeakPolarHBondContact CZ-OH 3.41Å; C125-Y130 HydrophobicContact CB-CD1 3.86Å; C125-Y130 HydrophobicContact CB-CD2 4.16Å; C125-Y130 HydrophobicContact CB-CE1 3.67Å; C125-Y130 HydrophobicContact CB-CE2 4.02Å; C125-Y130 HydrophobicContact CB-CG 4.09Å; C125-Y130 WeakPolarHBondContact CB-O 3.42Å; C125-Y130 PolarHBondContact N-O 3.49Å; C125-Y130 VanDerWaalsContact SG-CE1 3.59Å; E128-Y130 HydrophobicContact CB-CD1 3.52Å; E128-Y130 HydrophobicContact CB-CE1 3.71Å; E128-Y130 HydrophobicContact CG-CD1 4.48Å; E128-Y130 HydrophobicContact CG-CE1 4.29Å; E128-Y130 PolarHBondContact O-N 3.23Å; E128-Y130 WeakPolarHBondContact OE2-CD1 3.49Å; E128-Y130 WeakPolarHBondContact OE2-CE1 3.46Å; Y130-I132 HydrophobicContact CD2-CG1 4.3Å; Y130-I132 HydrophobicContact CE2-CD1 3.94Å; Y130-I132 HydrophobicContact CE2-CG1 3.9Å; Y130-K147 HydrophobicContact CD2-CB 3.96Å; Y130-K147 HydrophobicContact CD2-CD 4.04Å; Y130-K147 HydrophobicContact CE2-CB 4.33Å; Y130-K147 HydrophobicContact CE2-CD 4.03Å; Y130-S148 CarbonylContact C-O 3.44Å; Y130-S148 VanDerWaalsContact CA-O 3.23Å; Y130-S148 WeakPolarHBondContact CA-O 3.39Å; Y130-S148 WeakPolarHBondContact CB-O 3.46Å
131	H	96.6	Very high	93.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	152.7	179.4	62.2	-75.2	0	0	0	110.8	F112 D115 F119 T121 I123 V124 K147 S148 P150	F112-H131 HydrophobicContact CD2-CB 4.35Å; F112-H131 AromaticContact CD2-CD2 3.41Å; F112-H131 VanDerWaalsContact CD2-CD2 3.41Å; F112-H131 WeakPolarHBondContact CD2-CD2 3.27Å; F112-H131 AromaticContact CD2-CE1 3.47Å; F112-H131 VanDerWaalsContact CD2-CE1 3.47Å; F112-H131 WeakPolarHBondContact CD2-CE1 3.27Å; F112-H131 AromaticContact CD2-CG 3.58Å; F112-H131 AromaticContact CD2-ND1 3.65Å; F112-H131 AromaticContact CD2-NE2 3.34Å; F112-H131 VanDerWaalsContact CD2-NE2 3.34Å; F112-H131 WeakPolarHBondContact CD2-NE2 3.27Å; F112-H131 HydrophobicContact CE2-CB 3.82Å; F112-H131 AromaticContact CE2-CD2 3.71Å; F112-H131 AromaticContact CE2-CG 3.56Å; F112-H131 AromaticContact CE2-ND1 3.91Å; F112-H131 AromaticContact CG-CE1 3.63Å; F112-H131 AromaticContact CG-ND1 3.95Å; F112-H131 AromaticContact CG-NE2 3.88Å; F112-H131 HydrophobicContact CZ-CB 4.34Å; D115-H131 VanDerWaalsContact CG-NE2 3.29Å; D115-H131 IonicContact OD1-CE1 3.65Å; D115-H131 PolarHBondContact OD1-CE1 3.06Å; D115-H131 IonicContact OD1-NE2 3.69Å; D115-H131 PolarHBondContact OD1-NE2 3.37Å; D115-H131 IonicContact OD2-CD2 2.98Å; D115-H131 IonicContact OD2-CE1 2.7Å; D115-H131 IonicContact OD2-NE2 3.24Å; D115-H131 PolarHBondContact OD2-NE2 3.43Å; F119-H131 AromaticContact CE1-CD2 3.5Å; F119-H131 VanDerWaalsContact CE1-CD2 3.5Å; F119-H131 WeakPolarHBondContact CE1-CD2 2.86Å; F119-H131 AromaticContact CE1-NE2 3.54Å; T121-H131 HydrophobicContact CG2-CB 3.95Å; T121-H131 PolarHBondContact OG1-CD2 2.89Å; T121-H131 VanDerWaalsContact OG1-CD2 3.25Å; I123-H131 CarbonylContact O-C 3.39Å; I123-H131 WeakPolarHBondContact O-CA 3.13Å; V124-H131 HydrophobicContact CG1-CB 4.19Å; H131-K147 CarbonylContact O-C 3.46Å; H131-K147 WeakPolarHBondContact O-CA 3.49Å; H131-K147 WeakPolarHBondContact O-CB 3.49Å; H131-S148 PolarHBondContact N-O 3.1Å; H131-S148 PolarHBondContact ND1-O 3.44Å; H131-S148 VanDerWaalsContact ND1-O 3.17Å; H131-S148 PolarHBondContact O-N 3.09Å; H131-P150 VanDerWaalsContact CE1-CG 3.5Å; H131-P150 WeakPolarHBondContact CE1-CG 3.48Å; H131-P150 WeakPolarHBondContact ND1-CD 3.46Å; H131-P150 VanDerWaalsContact ND1-CG 3.35Å; H131-P150 WeakPolarHBondContact ND1-CG 3.42Å
132	I	97.8	Very high	93	Very high	5 Å²	5	39.2 Å²	39.2	3%	0.026	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	137.1	-179.2	-63	159.4	0	0	0	108.7	F84 V122 I123 Y130 L145 A146 K147	F84-I132 HydrophobicContact CE1-CD1 4.32Å; V122-I132 PolarHBondContact N-O 3.04Å; I123-I132 HydrophobicContact CB-CB 4.22Å; I123-I132 HydrophobicContact CG2-CD1 4.4Å; I123-I132 PolarHBondContact N-O 2.77Å; I123-I132 PolarHBondContact O-N 2.94Å; Y130-I132 HydrophobicContact CD2-CG1 4.3Å; Y130-I132 HydrophobicContact CE2-CD1 3.94Å; Y130-I132 HydrophobicContact CE2-CG1 3.9Å; I132-L145 HydrophobicContact CG2-CB 4.29Å; I132-L145 HydrophobicContact CG2-CD1 4.08Å; I132-L145 HydrophobicContact CG2-CG 4.45Å; I132-A146 WeakPolarHBondContact CA-O 3.38Å; I132-K147 HydrophobicContact CG1-CB 3.89Å
133	G	98.1	Very high	92.9	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	160.9	-178.1	0	0	0	0	0	112.7	F119 V120 L145 A146	F119-G133 WeakPolarHBondContact CE2-O 3.45Å; V120-G133 CarbonylContact O-C 3.54Å; V120-G133 WeakPolarHBondContact O-CA 3.34Å; G133-L145 WeakPolarHBondContact O-CA 3.44Å; G133-A146 PolarHBondContact N-O 2.99Å; G133-A146 PolarHBondContact O-N 3.06Å
134	Y	98.2	Very high	92.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	123.7	168.5	-73.5	-62.8	0	0	0	109.6	L54 D59 F60 F119 V120 V122 P143 F144 L145 L163	L54-Y134 HydrophobicContact CD1-CD2 4.42Å; L54-Y134 HydrophobicContact CD2-CD2 4.18Å; D59-Y134 PolarHBondContact OD1-OH 2.94Å; D59-Y134 PolarHBondContact OD2-OH 3.31Å; F60-Y134 HydrophobicContact CB-CE2 4.45Å; F60-Y134 AromaticContact CD2-CE2 3.83Å; F60-Y134 HydrophobicContact CD2-CE2 3.83Å; F119-Y134 WeakPolarHBondContact CA-O 3.44Å; V120-Y134 PolarHBondContact N-O 3.2Å; V120-Y134 PolarHBondContact O-N 3.09Å; V122-Y134 HydrophobicContact CG1-CD2 3.78Å; V122-Y134 HydrophobicContact CG1-CE2 4.05Å; V122-Y134 HydrophobicContact CG2-CD2 4.46Å; V122-Y134 HydrophobicContact CG2-CE2 4.49Å; Y134-P143 HydrophobicContact CD1-CB 3.62Å; Y134-P143 HydrophobicContact CD1-CG 3.86Å; Y134-P143 HydrophobicContact CE1-CB 4.44Å; Y134-P143 HydrophobicContact CE1-CG 4.22Å; Y134-P143 HydrophobicContact CG-CB 4.01Å; Y134-P143 HydrophobicContact CG-CG 4.37Å; Y134-F144 CarbonylContact C-O 3.52Å; Y134-F144 WeakPolarHBondContact CA-O 3.37Å; Y134-L145 HydrophobicContact CD1-CD1 3.45Å; Y134-L145 VanDerWaalsContact CD1-CD1 3.45Å; Y134-L145 HydrophobicContact CD1-CD2 3.79Å; Y134-L145 HydrophobicContact CD1-CG 4.27Å; Y134-L145 HydrophobicContact CE1-CD1 3.61Å; Y134-L145 HydrophobicContact CE1-CD2 3.5Å; Y134-L145 VanDerWaalsContact CE1-CD2 3.5Å; Y134-L145 HydrophobicContact CE1-CG 4.21Å; Y134-L145 HydrophobicContact CG-CD1 4Å; Y134-L163 WeakPolarHBondContact OH-CD1 3.43Å; Y134-L163 WeakPolarHBondContact OH-CG 3.37Å
135	F	97.8	Very high	92.9	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.018	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	136.9	168.2	-168.5	-78.8	0	0	0	109.9	P116 E118 F119 P143 F144 L156 I219	P116-F135 HydrophobicContact CG-CE2 4.16Å; E118-F135 HydrophobicContact CB-CD1 4.34Å; E118-F135 HydrophobicContact CB-CD2 4.03Å; E118-F135 HydrophobicContact CB-CE1 3.95Å; E118-F135 HydrophobicContact CB-CE2 3.63Å; E118-F135 HydrophobicContact CB-CG 4.37Å; E118-F135 HydrophobicContact CB-CZ 3.58Å; E118-F135 HydrophobicContact CG-CE1 4.19Å; E118-F135 HydrophobicContact CG-CE2 4.35Å; E118-F135 HydrophobicContact CG-CZ 3.85Å; E118-F135 WeakPolarHBondContact O-CA 3.39Å; F119-F135 HydrophobicContact CB-CD2 4.41Å; F119-F135 HydrophobicContact CD2-CB 4.27Å; F119-F135 HydrophobicContact CD2-CD2 4.23Å; F135-P143 VanDerWaalsContact O-CA 3.28Å; F135-P143 WeakPolarHBondContact O-CA 3.29Å; F135-F144 HydrophobicContact CB-CD2 4.24Å; F135-F144 HydrophobicContact CB-CE1 4.15Å; F135-F144 HydrophobicContact CB-CE2 3.76Å; F135-F144 HydrophobicContact CB-CZ 3.72Å; F135-F144 AromaticContact CD1-CE1 3.52Å; F135-F144 HydrophobicContact CD1-CE1 3.52Å; F135-F144 HydrophobicContact CD1-CE2 4.2Å; F135-F144 AromaticContact CD1-CZ 3.3Å; F135-F144 HydrophobicContact CD1-CZ 3.3Å; F135-F144 HydrophobicContact CE1-CE1 4.38Å; F135-F144 HydrophobicContact CE1-CZ 4.14Å; F135-F144 HydrophobicContact CG-CE1 4.19Å; F135-F144 HydrophobicContact CG-CE2 4.13Å; F135-F144 AromaticContact CG-CZ 3.67Å; F135-F144 HydrophobicContact CG-CZ 3.67Å; F135-F144 PolarHBondContact N-O 2.93Å; F135-F144 PolarHBondContact O-N 3.42Å; F135-L156 HydrophobicContact CD2-CD1 3.8Å; F135-L156 HydrophobicContact CE2-CD1 3.78Å; F135-I219 HydrophobicContact CD1-CG2 3.94Å; F135-I219 HydrophobicContact CD2-CG2 4.12Å; F135-I219 HydrophobicContact CE1-CG2 3.59Å; F135-I219 HydrophobicContact CE2-CB 4.36Å; F135-I219 HydrophobicContact CE2-CG2 3.77Å; F135-I219 HydrophobicContact CG-CG2 4.2Å; F135-I219 HydrophobicContact CZ-CB 4.42Å; F135-I219 HydrophobicContact CZ-CG2 3.49Å; F135-I219 VanDerWaalsContact CZ-CG2 3.49Å
136	R	96.6	Very high	93.1	Very high	3 Å²	3	37.6 Å²	37.6	1%	0.011	20%	0.197	C	C	.	.			trans	-137.2	127.3	-176.4	-63.6	169.5	-62.7	144.7	-5	110.8	H53 E118 S138 P143 F269	H53-R136 PolarHBondContact O-NH1 3.43Å; H53-R136 PolarHBondContact O-NH2 2.98Å; E118-R136 WeakPolarHBondContact CB-O 3.36Å; E118-R136 WeakPolarHBondContact CG-O 3.23Å; E118-R136 PolarHBondContact O-N 3.09Å; R136-S138 WeakPolarHBondContact CB-O 3.19Å; R136-S138 PolarHBondContact O-N 3.19Å; R136-P143 HydrophobicContact CG-CB 3.6Å; R136-F269 HydrophobicContact CB-CZ 4.44Å
137	D	94.9	Very high	93.3	Very high	16 Å²	16	36.2 Å²	36.2	9%	0.086	18%	0.184	C	C	.	.	S	Bend	trans	-65.9	-30.6	176.3	-68.4	-38.9	0	0	0	111.3	S141 R207 R210 V222 R266	D137-S141 PolarHBondContact N-OG 2.76Å; D137-S141 VanDerWaalsContact N-OG 3.11Å; D137-R207 IonicContact OD1-CZ 3.4Å; D137-R207 IonicContact OD1-NE 3.28Å; D137-R207 PolarHBondContact OD1-NE 3.34Å; D137-R207 IonicContact OD1-NH2 2.7Å; D137-R207 PolarHBondContact OD1-NH2 3.3Å; D137-R207 IonicContact OD2-NE 3.24Å; D137-R207 PolarHBondContact OD2-NE 2.91Å; D137-R210 IonicContact OD2-NH1 3.87Å; D137-V222 HydrophobicContact CB-CB 4.16Å; D137-R266 PolarHBondContact O-NE 2.83Å; D137-R266 PolarHBondContact O-NH1 3.46Å; D137-R266 PolarHBondContact O-NH2 2.94Å
138	S	92.1	Very high	93.8	Very high	34 Å²	34	32 Å²	32	24%	0.238	16%	0.155	C	C	.	.	S	Bend	trans	-146.3	165	169.9	74.2	0	0	0	0	110.5	R136 E140 S141	R136-S138 WeakPolarHBondContact CB-O 3.19Å; R136-S138 PolarHBondContact O-N 3.19Å; S138-E140 PolarHBondContact O-N 3.44Å; S138-E140 VanDerWaalsContact O-N 3.14Å; S138-E140 PolarHBondContact OG-N 2.87Å; S138-S141 PolarHBondContact N-OG 2.59Å; S138-S141 PolarHBondContact O-N 2.83Å; S138-S141 VanDerWaalsContact O-N 3.14Å; S138-S141 PolarHBondContact O-OG 3Å; S138-S141 WeakPolarHBondContact OG-CB 3.45Å; S138-S141 PolarHBondContact OG-N 3.17Å; S138-S141 VanDerWaalsContact OG-N 3.12Å
139	C	88.1	Confident	94.2	Very high	13 Å²	13	29.2 Å²	29.2	9%	0.088	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-26.5	178.1	-74.7	0	0	0	0	114	E268 F269	C139-E268 VanDerWaalsContact SG-CB 3.59Å; C139-F269 WeakPolarHBondContact SG-CE1 3.17Å
140	E	86.3	Confident	93.8	Very high	136 Å²	136	23.1 Å²	23.1	64%	0.636	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-19.4	178.8	-62.1	-51.5	134.4	0	0	114	K55 S138	K55-E140 IonicContact NZ-OE2 2.99Å; S138-E140 PolarHBondContact O-N 3.44Å; S138-E140 VanDerWaalsContact O-N 3.14Å; S138-E140 PolarHBondContact OG-N 2.87Å
141	S	90	Very high	92.8	Very high	21 Å²	21	28.1 Å²	28.1	15%	0.147	14%	0.144	C	C	.	.	S	Bend	trans	-67	148.6	-178.2	68.3	0	0	0	0	112.1	D137 S138	D137-S141 PolarHBondContact N-OG 2.76Å; D137-S141 VanDerWaalsContact N-OG 3.11Å; S138-S141 PolarHBondContact N-OG 2.59Å; S138-S141 PolarHBondContact O-N 2.83Å; S138-S141 VanDerWaalsContact O-N 3.14Å; S138-S141 PolarHBondContact O-OG 3Å; S138-S141 WeakPolarHBondContact OG-CB 3.45Å; S138-S141 PolarHBondContact OG-N 3.17Å; S138-S141 VanDerWaalsContact OG-N 3.12Å
142	K	91.2	Very high	91.8	Very high	119 Å²	119	35.3 Å²	35.3	52%	0.517	18%	0.175	S	C	.	.	P	Polyproline II helix	trans	-60.6	122.9	171.4	-173.1	170.9	-175.3	167.2	0	110	S30	S30-K142 PolarHBondContact OG-NZ 3.25Å
143	P	95.8	Very high	90.8	Very high	8 Å²	8	39.2 Å²	39.2	5%	0.052	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-71.5	162.4	179.9	30.3	-35.5	0	0	0	111.8	Y134 F135 R136	Y134-P143 HydrophobicContact CD1-CB 3.62Å; Y134-P143 HydrophobicContact CD1-CG 3.86Å; Y134-P143 HydrophobicContact CE1-CB 4.44Å; Y134-P143 HydrophobicContact CE1-CG 4.22Å; Y134-P143 HydrophobicContact CG-CB 4.01Å; Y134-P143 HydrophobicContact CG-CG 4.37Å; F135-P143 VanDerWaalsContact O-CA 3.28Å; F135-P143 WeakPolarHBondContact O-CA 3.29Å; R136-P143 HydrophobicContact CG-CB 3.6Å
144	F	97	Very high	90.3	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.009	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	166.5	159.9	61.8	-88.6	0	0	0	109.1	Y134 F135 A146 Y158 Y203 I219	Y134-F144 CarbonylContact C-O 3.52Å; Y134-F144 WeakPolarHBondContact CA-O 3.37Å; F135-F144 HydrophobicContact CB-CD2 4.24Å; F135-F144 HydrophobicContact CB-CE1 4.15Å; F135-F144 HydrophobicContact CB-CE2 3.76Å; F135-F144 HydrophobicContact CB-CZ 3.72Å; F135-F144 AromaticContact CD1-CE1 3.52Å; F135-F144 HydrophobicContact CD1-CE1 3.52Å; F135-F144 HydrophobicContact CD1-CE2 4.2Å; F135-F144 AromaticContact CD1-CZ 3.3Å; F135-F144 HydrophobicContact CD1-CZ 3.3Å; F135-F144 HydrophobicContact CE1-CE1 4.38Å; F135-F144 HydrophobicContact CE1-CZ 4.14Å; F135-F144 HydrophobicContact CG-CE1 4.19Å; F135-F144 HydrophobicContact CG-CE2 4.13Å; F135-F144 AromaticContact CG-CZ 3.67Å; F135-F144 HydrophobicContact CG-CZ 3.67Å; F135-F144 PolarHBondContact N-O 2.93Å; F135-F144 PolarHBondContact O-N 3.42Å; F144-A146 HydrophobicContact CE2-CB 4.4Å; F144-Y158 HydrophobicContact CB-CE2 4.31Å; F144-Y158 AromaticContact CD2-CD2 3.73Å; F144-Y158 HydrophobicContact CD2-CD2 3.73Å; F144-Y158 HydrophobicContact CD2-CE2 4.18Å; F144-Y158 HydrophobicContact CE2-CD2 4.27Å; F144-Y158 HydrophobicContact CG-CD2 4.47Å; F144-Y203 HydrophobicContact CB-CE1 3.81Å; F144-Y203 AromaticContact CD1-CE1 3.96Å; F144-Y203 HydrophobicContact CD1-CE1 3.96Å; F144-Y203 WeakPolarHBondContact CD1-OH 3.31Å; F144-Y203 AromaticContact CG-CE1 3.9Å; F144-Y203 HydrophobicContact CG-CE1 3.9Å; F144-I219 HydrophobicContact CE2-CD1 4.02Å; F144-I219 HydrophobicContact CE2-CG2 4.47Å; F144-I219 HydrophobicContact CZ-CD1 4.38Å; F144-I219 HydrophobicContact CZ-CG2 3.85Å
145	L	98.1	Very high	90	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	135	-179.6	-70	-57.1	0	0	0	110	V122 I132 G133 Y134 C159 G160 N162 L163 C166	V122-L145 HydrophobicContact CG2-CD1 4.44Å; I132-L145 HydrophobicContact CG2-CB 4.29Å; I132-L145 HydrophobicContact CG2-CD1 4.08Å; I132-L145 HydrophobicContact CG2-CG 4.45Å; G133-L145 WeakPolarHBondContact O-CA 3.44Å; Y134-L145 HydrophobicContact CD1-CD1 3.45Å; Y134-L145 VanDerWaalsContact CD1-CD1 3.45Å; Y134-L145 HydrophobicContact CD1-CD2 3.79Å; Y134-L145 HydrophobicContact CD1-CG 4.27Å; Y134-L145 HydrophobicContact CE1-CD1 3.61Å; Y134-L145 HydrophobicContact CE1-CD2 3.5Å; Y134-L145 VanDerWaalsContact CE1-CD2 3.5Å; Y134-L145 HydrophobicContact CE1-CG 4.21Å; Y134-L145 HydrophobicContact CG-CD1 4Å; L145-C159 HydrophobicContact CB-CB 4.24Å; L145-C159 PolarHBondContact O-N 2.95Å; L145-G160 PolarHBondContact N-O 3.34Å; L145-G160 PolarHBondContact O-N 2.85Å; L145-N162 VanDerWaalsContact CD2-C 3.41Å; L145-L163 HydrophobicContact CD1-CD2 3.81Å; L145-L163 HydrophobicContact CD1-CG 4.46Å; L145-L163 HydrophobicContact CG-CD2 4.21Å; L145-C166 HydrophobicContact CB-CB 4.28Å; L145-C166 HydrophobicContact CG-CB 4.26Å
146	A	97.4	Very high	89.9	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	158.9	165.9	0	0	0	0	0	109.8	F119 I132 G133 F144 L156 E157 I219	F119-A146 HydrophobicContact CE2-CB 3.99Å; F119-A146 VanDerWaalsContact CE2-O 3.28Å; F119-A146 WeakPolarHBondContact CE2-O 3.42Å; F119-A146 WeakPolarHBondContact CZ-O 3.36Å; I132-A146 WeakPolarHBondContact CA-O 3.38Å; G133-A146 PolarHBondContact N-O 2.99Å; G133-A146 PolarHBondContact O-N 3.06Å; F144-A146 HydrophobicContact CE2-CB 4.4Å; A146-L156 HydrophobicContact CB-CB 4.38Å; A146-L156 HydrophobicContact CB-CD2 4.5Å; A146-E157 CarbonylContact C-O 3.55Å; A146-E157 WeakPolarHBondContact CA-O 3.35Å; A146-E157 WeakPolarHBondContact CB-O 3.45Å; A146-I219 HydrophobicContact CB-CD1 4.46Å
147	K	96.3	Very high	89.9	Confident	46 Å²	46	45.8 Å²	45.8	20%	0.2	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	147.8	170.4	70	-179.2	178.3	156	0	111	Y130 H131 I132 L156 E157 C159	Y130-K147 HydrophobicContact CD2-CB 3.96Å; Y130-K147 HydrophobicContact CD2-CD 4.04Å; Y130-K147 HydrophobicContact CE2-CB 4.33Å; Y130-K147 HydrophobicContact CE2-CD 4.03Å; H131-K147 CarbonylContact O-C 3.46Å; H131-K147 WeakPolarHBondContact O-CA 3.49Å; H131-K147 WeakPolarHBondContact O-CB 3.49Å; I132-K147 HydrophobicContact CG1-CB 3.89Å; K147-L156 WeakPolarHBondContact O-CA 3.42Å; K147-E157 WeakPolarHBondContact CE-OE2 3.49Å; K147-E157 HydrophobicContact CG-CB 3.89Å; K147-E157 PolarHBondContact N-O 3.44Å; K147-E157 IonicContact NZ-OE2 2.87Å; K147-E157 PolarHBondContact NZ-OE2 3.41Å; K147-E157 PolarHBondContact O-N 2.86Å; K147-C159 WeakPolarHBondContact CG-SG 3.4Å
148	S	94.7	Very high	89.9	Confident	3 Å²	3	47.7 Å²	47.7	2%	0.021	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	155.7	169.4	-156.2	0	0	0	0	110.1	Y130 H131 V155	Y130-S148 CarbonylContact C-O 3.44Å; Y130-S148 VanDerWaalsContact CA-O 3.23Å; Y130-S148 WeakPolarHBondContact CA-O 3.39Å; Y130-S148 WeakPolarHBondContact CB-O 3.46Å; H131-S148 PolarHBondContact N-O 3.1Å; H131-S148 PolarHBondContact ND1-O 3.44Å; H131-S148 VanDerWaalsContact ND1-O 3.17Å; H131-S148 PolarHBondContact O-N 3.09Å; S148-V155 PolarHBondContact OG-O 3.49Å
149	T	91.7	Very high	90.1	Very high	39 Å²	39	46.7 Å²	46.7	24%	0.239	23%	0.23	C	C	.	.			trans	-116.1	101.5	173.7	-49	0	0	0	0	107	Q129 M151 F152	Q129-T149 WeakPolarHBondContact O-CG2 3.5Å; T149-M151 PolarHBondContact O-N 3.36Å; T149-F152 HydrophobicContact CG2-CD2 3.32Å; T149-F152 HydrophobicContact CG2-CE2 3.38Å; T149-F152 PolarHBondContact O-N 2.74Å
150	P	76.1	Confident	90.4	Very high	21 Å²	21	46 Å²	46	14%	0.136	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-32.4	-166.9	-28.5	34	0	0	0	114.9	F112 H114 Q129 H131 F152	F112-P150 HydrophobicContact CB-CB 4.15Å; F112-P150 HydrophobicContact CB-CG 3.94Å; F112-P150 HydrophobicContact CD1-CB 3.84Å; F112-P150 HydrophobicContact CD1-CG 3.32Å; F112-P150 HydrophobicContact CD2-CG 4.47Å; F112-P150 HydrophobicContact CE1-CG 3.87Å; F112-P150 HydrophobicContact CG-CB 4.27Å; F112-P150 HydrophobicContact CG-CG 3.65Å; H114-P150 PolarHBondContact CD2-O 2.86Å; Q129-P150 WeakPolarHBondContact O-CD 3.45Å; H131-P150 VanDerWaalsContact CE1-CG 3.5Å; H131-P150 WeakPolarHBondContact CE1-CG 3.48Å; H131-P150 WeakPolarHBondContact ND1-CD 3.46Å; H131-P150 VanDerWaalsContact ND1-CG 3.35Å; H131-P150 WeakPolarHBondContact ND1-CG 3.42Å; P150-F152 PolarHBondContact O-N 3.29Å
151	M	74.8	Confident	90.9	Very high	121 Å²	121	40.9 Å²	40.9	60%	0.596	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-4.6	-172.8	-63.5	-57.4	-69	0	0	114.6	T149	T149-M151 PolarHBondContact O-N 3.36Å
152	F	74.1	Confident	91.3	Very high	151 Å²	151	40.5 Å²	40.5	66%	0.662	20%	0.199	S	C	*	.	S	Bend	trans	-103.8	-104.7	-176.7	-65.3	-77.5	0	0	0	112.7	T149 P150	T149-F152 HydrophobicContact CG2-CD2 3.32Å; T149-F152 HydrophobicContact CG2-CE2 3.38Å; T149-F152 PolarHBondContact O-N 2.74Å; P150-F152 PolarHBondContact O-N 3.29Å
153	N	78.5	Confident	91.6	Very high	87 Å²	87	35 Å²	35	47%	0.465	17%	0.174	S	C	.	.	S	Bend	trans	-137	17.1	-156.5	57.1	4.3	0	0	0	113.4	V155	N153-V155 HydrophobicContact CB-CG2 4.45Å; N153-V155 WeakPolarHBondContact ND2-CG2 3.25Å; N153-V155 PolarHBondContact O-N 3.4Å; N153-V155 VanDerWaalsContact O-N 3.16Å; N153-V155 VanDerWaalsContact OD1-CB 3.23Å; N153-V155 WeakPolarHBondContact OD1-CB 3.43Å; N153-V155 WeakPolarHBondContact OD1-CG2 3.01Å; N153-V155 PolarHBondContact OD1-N 3.07Å
154	G	87	Confident	91.7	Very high	8 Å²	8	34.6 Å²	34.6	8%	0.082	17%	0.172	C	C	.	.			trans	63.6	15.3	-177.9	0	0	0	0	0	114.6	H114 N217	H114-G154 VanDerWaalsContact CB-CA 3.45Å; G154-N217 WeakPolarHBondContact O-CA 3.41Å; G154-N217 VanDerWaalsContact O-CB 3.22Å; G154-N217 WeakPolarHBondContact O-CB 3Å
155	V	92.5	Very high	91.7	Very high	30 Å²	30	34.5 Å²	34.5	18%	0.182	17%	0.171	C	C	.	.			trans	-64.5	137.9	172	172.3	0	0	0	0	109.1	S148 N153 E157	S148-V155 PolarHBondContact OG-O 3.49Å; N153-V155 HydrophobicContact CB-CG2 4.45Å; N153-V155 WeakPolarHBondContact ND2-CG2 3.25Å; N153-V155 PolarHBondContact O-N 3.4Å; N153-V155 VanDerWaalsContact O-N 3.16Å; N153-V155 VanDerWaalsContact OD1-CB 3.23Å; N153-V155 WeakPolarHBondContact OD1-CB 3.43Å; N153-V155 WeakPolarHBondContact OD1-CG2 3.01Å; N153-V155 PolarHBondContact OD1-N 3.07Å; V155-E157 HydrophobicContact CG1-CG 4.42Å
156	L	95.5	Very high	91.7	Very high	6 Å²	6	34.6 Å²	34.6	3%	0.031	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	127.3	174.7	-71.5	171	0	0	0	109.1	P116 F119 F135 A146 K147 N217 I219	P116-L156 HydrophobicContact CG-CD1 4.01Å; F119-L156 HydrophobicContact CD2-CD2 3.95Å; F119-L156 HydrophobicContact CE2-CD2 3.85Å; F119-L156 HydrophobicContact CG-CD2 4.44Å; F119-L156 HydrophobicContact CZ-CD2 4.25Å; F135-L156 HydrophobicContact CD2-CD1 3.8Å; F135-L156 HydrophobicContact CE2-CD1 3.78Å; A146-L156 HydrophobicContact CB-CB 4.38Å; A146-L156 HydrophobicContact CB-CD2 4.5Å; K147-L156 WeakPolarHBondContact O-CA 3.42Å; L156-N217 HydrophobicContact CD1-CB 4.16Å; L156-N217 HydrophobicContact CG-CB 4.36Å; L156-N217 PolarHBondContact N-O 2.95Å; L156-I219 HydrophobicContact CB-CB 4.36Å; L156-I219 HydrophobicContact CB-CD1 4.26Å; L156-I219 HydrophobicContact CB-CG1 3.31Å; L156-I219 HydrophobicContact CD1-CG1 4.19Å; L156-I219 HydrophobicContact CG-CG1 4.4Å
157	E	94.9	Very high	91.6	Very high	100 Å²	100	35 Å²	35	47%	0.467	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	126.2	179.1	-70.1	178.4	-156	0	0	110.4	A146 K147 V155 C159	A146-E157 CarbonylContact C-O 3.55Å; A146-E157 WeakPolarHBondContact CA-O 3.35Å; A146-E157 WeakPolarHBondContact CB-O 3.45Å; K147-E157 WeakPolarHBondContact CE-OE2 3.49Å; K147-E157 HydrophobicContact CG-CB 3.89Å; K147-E157 PolarHBondContact N-O 3.44Å; K147-E157 IonicContact NZ-OE2 2.87Å; K147-E157 PolarHBondContact NZ-OE2 3.41Å; K147-E157 PolarHBondContact O-N 2.86Å; V155-E157 HydrophobicContact CG1-CG 4.42Å; E157-C159 PolarHBondContact O-N 3.08Å; E157-C159 PolarHBondContact O-SG 2.88Å
158	Y	96.1	Very high	91.6	Very high	56 Å²	56	34.7 Å²	34.7	22%	0.22	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	131.4	175.3	169.6	-98	0	0	0	111.8	F144 G160 Q161 Y203 M204	F144-Y158 HydrophobicContact CB-CE2 4.31Å; F144-Y158 AromaticContact CD2-CD2 3.73Å; F144-Y158 HydrophobicContact CD2-CD2 3.73Å; F144-Y158 HydrophobicContact CD2-CE2 4.18Å; F144-Y158 HydrophobicContact CE2-CD2 4.27Å; F144-Y158 HydrophobicContact CG-CD2 4.47Å; Y158-G160 WeakPolarHBondContact OH-CA 3.5Å; Y158-Q161 PolarHBondContact OH-N 2.81Å; Y158-Q161 PolarHBondContact OH-NE2 3.33Å; Y158-Q161 PolarHBondContact OH-OE1 3.14Å; Y158-Y203 AromaticContact CE2-CD1 3.78Å; Y158-Y203 HydrophobicContact CE2-CD1 3.78Å; Y158-Y203 HydrophobicContact CE2-CE1 4.12Å; Y158-M204 HydrophobicContact CD1-CG 3.69Å; Y158-M204 HydrophobicContact CD2-CG 3.49Å; Y158-M204 VanDerWaalsContact CD2-CG 3.49Å; Y158-M204 HydrophobicContact CD2-SD 3.45Å; Y158-M204 WeakPolarHBondContact CD2-SD 3.46Å; Y158-M204 HydrophobicContact CE1-CG 4.07Å; Y158-M204 HydrophobicContact CE2-CG 3.88Å; Y158-M204 HydrophobicContact CE2-SD 4.01Å; Y158-M204 HydrophobicContact CG-CG 3.38Å; Y158-M204 HydrophobicContact CG-SD 3.85Å
159	C	95.1	Very high	91.5	Very high	13 Å²	13	35.4 Å²	35.4	9%	0.088	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	-15.1	-176.5	-67.4	0	0	0	0	114.7	L145 K147 E157 C166 L199	L145-C159 HydrophobicContact CB-CB 4.24Å; L145-C159 PolarHBondContact O-N 2.95Å; K147-C159 WeakPolarHBondContact CG-SG 3.4Å; E157-C159 PolarHBondContact O-N 3.08Å; E157-C159 PolarHBondContact O-SG 2.88Å; C159-C166 HydrophobicContact CB-CB 4.44Å; C159-C166 VanDerWaalsContact CB-SG 3.58Å; C159-C166 VanDerWaalsContact O-CA 3.3Å; C159-C166 WeakPolarHBondContact O-CA 3.46Å; C159-L199 VanDerWaalsContact O-CD2 3.29Å; C159-L199 WeakPolarHBondContact O-CD2 3.15Å
160	G	96.4	Very high	91.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	155.6	168.1	176.8	0	0	0	0	0	114.3	L145 Y158 L199	L145-G160 PolarHBondContact N-O 3.34Å; L145-G160 PolarHBondContact O-N 2.85Å; Y158-G160 WeakPolarHBondContact OH-CA 3.5Å; G160-L199 VanDerWaalsContact CA-CD2 3.41Å
161	Q	96.1	Very high	92.4	Very high	28 Å²	28	33.5 Å²	33.5	13%	0.131	17%	0.165	C	C	.	.	S	Bend	trans	-82.8	-19.5	175.6	-61.3	85.5	-6.4	0	0	112.9	Y158 Y203	Y158-Q161 PolarHBondContact OH-N 2.81Å; Y158-Q161 PolarHBondContact OH-NE2 3.33Å; Y158-Q161 PolarHBondContact OH-OE1 3.14Å; Q161-Y203 HydrophobicContact CG-CD1 4.4Å; Q161-Y203 HydrophobicContact CG-CD2 3.63Å; Q161-Y203 HydrophobicContact CG-CE2 3.99Å; Q161-Y203 HydrophobicContact CG-CG 3.87Å
162	N	97.3	Very high	93.1	Very high	13 Å²	13	32.5 Å²	32.5	7%	0.07	16%	0.159	C	C	.	.	S	Bend	trans	-149.9	166.4	179.1	66.3	69.2	0	0	0	110	D59 L145 F164 A165 C166 P196	D59-N162 HydrophobicContact CB-CB 3.81Å; D59-N162 WeakPolarHBondContact OD2-CA 3.36Å; D59-N162 WeakPolarHBondContact OD2-CB 3.44Å; L145-N162 VanDerWaalsContact CD2-C 3.41Å; N162-F164 VanDerWaalsContact C-N 3.34Å; N162-F164 PolarHBondContact O-N 3.35Å; N162-F164 WeakPolarHBondContact OD1-CA 3.38Å; N162-F164 WeakPolarHBondContact OD1-CB 3.41Å; N162-F164 PolarHBondContact OD1-N 3.31Å; N162-A165 PolarHBondContact O-N 3.36Å; N162-A165 PolarHBondContact OD1-N 2.56Å; N162-C166 WeakPolarHBondContact O-CB 3.47Å; N162-C166 PolarHBondContact O-N 2.93Å; N162-P196 PolarHBondContact ND2-O 3.45Å; N162-P196 PolarHBondContact OD1-O 3.08Å
163	L	98.1	Very high	93.7	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.01	16%	0.158	C	C	.	.	H	α-helix	trans	-63.6	-35.9	-176.9	-71.9	167.6	0	0	0	113.4	D59 F60 F63 F90 V122 I123 Y134 L145 C166 L167	D59-L163 WeakPolarHBondContact OD2-CG 3.28Å; D59-L163 PolarHBondContact OD2-N 3.34Å; F60-L163 HydrophobicContact CD2-CD1 4.31Å; F63-L163 HydrophobicContact CB-CB 4.15Å; F63-L163 HydrophobicContact CB-CD1 3.74Å; F63-L163 HydrophobicContact CD1-CB 4.24Å; F63-L163 HydrophobicContact CD1-CD1 3.9Å; F63-L163 HydrophobicContact CD2-CB 3.52Å; F63-L163 HydrophobicContact CD2-CD1 4.47Å; F63-L163 HydrophobicContact CE2-CB 3.87Å; F63-L163 HydrophobicContact CG-CB 3.71Å; F63-L163 HydrophobicContact CG-CD1 3.79Å; F63-L163 HydrophobicContact CG-CG 4.38Å; F63-L163 HydrophobicContact CZ-CB 4.35Å; F90-L163 HydrophobicContact CE2-CD1 4.05Å; F90-L163 HydrophobicContact CZ-CD1 3.6Å; V122-L163 HydrophobicContact CG2-CD2 3.94Å; I123-L163 HydrophobicContact CD1-CD2 3.96Å; Y134-L163 WeakPolarHBondContact OH-CD1 3.43Å; Y134-L163 WeakPolarHBondContact OH-CG 3.37Å; L145-L163 HydrophobicContact CD1-CD2 3.81Å; L145-L163 HydrophobicContact CD1-CG 4.46Å; L145-L163 HydrophobicContact CG-CD2 4.21Å; L163-C166 WeakPolarHBondContact O-CB 3.43Å; L163-C166 PolarHBondContact O-N 3.27Å; L163-L167 WeakPolarHBondContact O-CB 3.39Å; L163-L167 PolarHBondContact O-N 3.05Å
164	F	98.2	Very high	93.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-66.9	-43.8	178.5	-65.1	-95.3	0	0	0	111.6	D59 L62 F63 F66 N162 C166 L167 R168 L186 F189 A190 I195 T197	D59-F164 HydrophobicContact CB-CD2 4.32Å; D59-F164 HydrophobicContact CB-CE2 4.41Å; L62-F164 HydrophobicContact CB-CE2 4.27Å; L62-F164 HydrophobicContact CB-CZ 4.37Å; F63-F164 HydrophobicContact CB-CE2 3.84Å; F63-F164 HydrophobicContact CB-CZ 4.08Å; F63-F164 HydrophobicContact CD2-CD1 4.17Å; F63-F164 AromaticContact CD2-CD2 3.96Å; F63-F164 HydrophobicContact CD2-CD2 3.96Å; F63-F164 HydrophobicContact CD2-CE1 4.08Å; F63-F164 AromaticContact CD2-CE2 3.87Å; F63-F164 HydrophobicContact CD2-CE2 3.87Å; F63-F164 HydrophobicContact CD2-CG 4.11Å; F63-F164 AromaticContact CD2-CZ 3.93Å; F63-F164 HydrophobicContact CD2-CZ 3.93Å; F63-F164 HydrophobicContact CG-CE2 4.38Å; F63-F164 HydrophobicContact CG-CZ 4.48Å; F66-F164 HydrophobicContact CB-CE1 3.99Å; F66-F164 HydrophobicContact CB-CZ 4.14Å; F66-F164 HydrophobicContact CD1-CE1 4.27Å; F66-F164 HydrophobicContact CG-CE1 4.08Å; N162-F164 VanDerWaalsContact C-N 3.34Å; N162-F164 PolarHBondContact O-N 3.35Å; N162-F164 WeakPolarHBondContact OD1-CA 3.38Å; N162-F164 WeakPolarHBondContact OD1-CB 3.41Å; N162-F164 PolarHBondContact OD1-N 3.31Å; F164-C166 VanDerWaalsContact C-N 3.35Å; F164-L167 PolarHBondContact O-N 3.23Å; F164-R168 VanDerWaalsContact O-CB 3.27Å; F164-R168 WeakPolarHBondContact O-CB 3.27Å; F164-R168 PolarHBondContact O-N 2.99Å; F164-L186 HydrophobicContact CB-CD2 4.4Å; F164-L186 HydrophobicContact CD1-CD2 4.41Å; F164-L186 HydrophobicContact CD1-CG 4.11Å; F164-F189 AromaticContact CE1-CD1 3.67Å; F164-F189 HydrophobicContact CE1-CD1 3.67Å; F164-F189 HydrophobicContact CE1-CE1 4.11Å; F164-F189 AromaticContact CZ-CD1 3.92Å; F164-F189 HydrophobicContact CZ-CD1 3.92Å; F164-F189 AromaticContact CZ-CE1 3.88Å; F164-F189 HydrophobicContact CZ-CE1 3.88Å; F164-A190 HydrophobicContact CD1-CB 3.97Å; F164-A190 HydrophobicContact CG-CB 4.42Å; F164-I195 HydrophobicContact CB-CG2 4.34Å; F164-I195 HydrophobicContact CD2-CD1 3.94Å; F164-I195 HydrophobicContact CD2-CG2 3.74Å; F164-I195 HydrophobicContact CE1-CD1 4.5Å; F164-I195 HydrophobicContact CE2-CD1 3.45Å; F164-I195 VanDerWaalsContact CE2-CD1 3.45Å; F164-I195 HydrophobicContact CE2-CG2 4.34Å; F164-I195 HydrophobicContact CG-CG2 4.16Å; F164-I195 HydrophobicContact CZ-CD1 3.77Å; F164-T197 HydrophobicContact CB-CG2 4Å
165	A	97.4	Very high	92.8	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-66.9	-37.9	176.2	0	0	0	0	0	112.3	N162 S169 T197 L199	N162-A165 PolarHBondContact O-N 3.36Å; N162-A165 PolarHBondContact OD1-N 2.56Å; A165-S169 WeakPolarHBondContact O-CB 3.37Å; A165-S169 PolarHBondContact O-N 3.3Å; A165-T197 WeakPolarHBondContact CA-O 3.42Å; A165-T197 WeakPolarHBondContact CB-O 3.44Å; A165-L199 HydrophobicContact CB-CD2 4.06Å
166	C	97.2	Very high	92	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.014	20%	0.201	C	C	.	.	H	α-helix	trans	-59.6	-54.7	172.4	179.2	0	0	0	0	111.4	L145 C159 N162 L163 F164 R168 S169 T170	L145-C166 HydrophobicContact CB-CB 4.28Å; L145-C166 HydrophobicContact CG-CB 4.26Å; C159-C166 HydrophobicContact CB-CB 4.44Å; C159-C166 VanDerWaalsContact CB-SG 3.58Å; C159-C166 VanDerWaalsContact O-CA 3.3Å; C159-C166 WeakPolarHBondContact O-CA 3.46Å; N162-C166 WeakPolarHBondContact O-CB 3.47Å; N162-C166 PolarHBondContact O-N 2.93Å; L163-C166 WeakPolarHBondContact O-CB 3.43Å; L163-C166 PolarHBondContact O-N 3.27Å; F164-C166 VanDerWaalsContact C-N 3.35Å; C166-R168 PolarHBondContact O-N 2.94Å; C166-S169 PolarHBondContact O-N 3.03Å; C166-T170 PolarHBondContact O-N 3.05Å; C166-T170 PolarHBondContact O-OG1 3.1Å; C166-T170 VanDerWaalsContact O-OG1 3.09Å
167	L	96.2	Very high	91.1	Very high	9 Å²	9	45 Å²	45	5%	0.047	23%	0.225	C	C	.	.	H	α-helix	trans	-65.2	-42	-178.5	-178.5	58.6	0	0	0	111.6	F63 F66 L79 F84 L163 F164 S169 T170 L171 L186	F63-L167 HydrophobicContact CE2-CB 4.31Å; F63-L167 HydrophobicContact CE2-CD2 3.92Å; F63-L167 HydrophobicContact CZ-CB 4.4Å; F63-L167 HydrophobicContact CZ-CD2 3.7Å; F66-L167 HydrophobicContact CE1-CD2 4.5Å; L79-L167 HydrophobicContact CD1-CD2 3.88Å; L79-L167 HydrophobicContact CD2-CD2 4.19Å; F84-L167 HydrophobicContact CD2-CD1 4.12Å; F84-L167 HydrophobicContact CE2-CD1 4.25Å; L163-L167 WeakPolarHBondContact O-CB 3.39Å; L163-L167 PolarHBondContact O-N 3.05Å; F164-L167 PolarHBondContact O-N 3.23Å; L167-S169 PolarHBondContact O-N 2.96Å; L167-T170 PolarHBondContact O-N 2.75Å; L167-L171 HydrophobicContact CD1-CD1 4.02Å; L167-L171 HydrophobicContact CD1-CD2 4.18Å; L167-L171 HydrophobicContact CD1-CG 3.84Å; L167-L171 HydrophobicContact CD2-CD1 4.49Å; L167-L171 HydrophobicContact CG-CD1 3.85Å; L167-L171 HydrophobicContact CG-CG 4.14Å; L167-L171 VanDerWaalsContact O-CG 3.29Å; L167-L171 WeakPolarHBondContact O-CG 3.38Å; L167-L171 PolarHBondContact O-N 2.95Å; L167-L186 HydrophobicContact CB-CD1 3.76Å; L167-L186 HydrophobicContact CD2-CD1 3.44Å; L167-L186 VanDerWaalsContact CD2-CD1 3.44Å; L167-L186 HydrophobicContact CG-CD1 3.56Å
168	R	95.6	Very high	90.5	Very high	39 Å²	39	45.4 Å²	45.4	15%	0.147	23%	0.227	C	C	.	.	H	α-helix	trans	-55.1	-49.3	173.8	173.1	162.4	176.1	-149	-11.7	111.9	F164 C166 T170 L171 Q172 L183 L186 T197 D198	F164-R168 VanDerWaalsContact O-CB 3.27Å; F164-R168 WeakPolarHBondContact O-CB 3.27Å; F164-R168 PolarHBondContact O-N 2.99Å; C166-R168 PolarHBondContact O-N 2.94Å; R168-T170 VanDerWaalsContact C-N 3.29Å; R168-T170 PolarHBondContact O-N 3.02Å; R168-L171 PolarHBondContact O-N 2.81Å; R168-Q172 HydrophobicContact CG-CG 4.48Å; R168-Q172 WeakPolarHBondContact O-CB 2.99Å; R168-Q172 VanDerWaalsContact O-CG 3.27Å; R168-Q172 WeakPolarHBondContact O-CG 3.44Å; R168-Q172 PolarHBondContact O-N 3.02Å; R168-L183 HydrophobicContact CB-CD1 4.22Å; R168-L183 HydrophobicContact CG-CD1 3.81Å; R168-L186 HydrophobicContact CB-CD2 4.07Å; R168-T197 WeakPolarHBondContact CD-O 3.4Å; R168-T197 PolarHBondContact NH1-OG1 3.37Å; R168-D198 IonicContact CZ-OD1 2.94Å; R168-D198 IonicContact CZ-OD2 2.73Å; R168-D198 IonicContact NH1-OD1 3.69Å; R168-D198 PolarHBondContact NH1-OD1 3.07Å; R168-D198 IonicContact NH1-OD2 3.57Å; R168-D198 PolarHBondContact NH1-OD2 2.89Å; R168-D198 IonicContact NH2-OD1 3.72Å; R168-D198 PolarHBondContact NH2-OD1 3.02Å; R168-D198 IonicContact NH2-OD2 2.87Å
169	S	93.8	Very high	90.1	Very high	19 Å²	19	43.8 Å²	43.8	13%	0.133	22%	0.222	C	C	.	.	H	α-helix	trans	-61.7	-38.4	179.2	-173.8	0	0	0	0	112.3	A165 C166 L167 K173	A165-S169 WeakPolarHBondContact O-CB 3.37Å; A165-S169 PolarHBondContact O-N 3.3Å; C166-S169 PolarHBondContact O-N 3.03Å; L167-S169 PolarHBondContact O-N 2.96Å; S169-K173 WeakPolarHBondContact O-CG 3.22Å
170	T	92.4	Very high	89.9	Confident	16 Å²	16	46.5 Å²	46.5	10%	0.098	24%	0.241	C	C	.	.	H	α-helix	trans	-69.3	-46	178.4	-61.1	0	0	0	0	112.1	F84 C166 L167 R168 Q172 K173	F84-T170 HydrophobicContact CE2-CG2 3.82Å; F84-T170 HydrophobicContact CZ-CG2 3.5Å; F84-T170 VanDerWaalsContact CZ-CG2 3.5Å; C166-T170 PolarHBondContact O-N 3.05Å; C166-T170 PolarHBondContact O-OG1 3.1Å; C166-T170 VanDerWaalsContact O-OG1 3.09Å; L167-T170 PolarHBondContact O-N 2.75Å; R168-T170 VanDerWaalsContact C-N 3.29Å; R168-T170 PolarHBondContact O-N 3.02Å; T170-Q172 VanDerWaalsContact C-N 3.33Å; T170-Q172 PolarHBondContact O-N 3.4Å; T170-K173 PolarHBondContact O-N 3.44Å
171	L	92.6	Very high	89.7	Confident	4 Å²	4	50.5 Å²	50.5	2%	0.021	26%	0.262	C	S	.	.	H	α-helix	trans	-63.8	-37.7	178.7	-66.2	175.1	0	0	0	112	V82 L167 R168 K173 N174 H179 L182 L183	V82-L171 HydrophobicContact CB-CD2 4.14Å; V82-L171 HydrophobicContact CG1-CD2 4.21Å; V82-L171 HydrophobicContact CG2-CD2 4.3Å; L167-L171 HydrophobicContact CD1-CD1 4.02Å; L167-L171 HydrophobicContact CD1-CD2 4.18Å; L167-L171 HydrophobicContact CD1-CG 3.84Å; L167-L171 HydrophobicContact CD2-CD1 4.49Å; L167-L171 HydrophobicContact CG-CD1 3.85Å; L167-L171 HydrophobicContact CG-CG 4.14Å; L167-L171 VanDerWaalsContact O-CG 3.29Å; L167-L171 WeakPolarHBondContact O-CG 3.38Å; L167-L171 PolarHBondContact O-N 2.95Å; R168-L171 PolarHBondContact O-N 2.81Å; L171-K173 PolarHBondContact O-N 2.81Å; L171-N174 CarbonylContact O-C 3.01Å; L171-N174 PolarHBondContact O-N 3.36Å; L171-H179 HydrophobicContact CD2-CB 4.2Å; L171-L182 HydrophobicContact CD1-CB 4.31Å; L171-L182 HydrophobicContact CD1-CD2 3.75Å; L171-L182 HydrophobicContact CD1-CG 3.78Å; L171-L182 HydrophobicContact CD2-CD2 3.96Å; L171-L182 HydrophobicContact CG-CD2 4.49Å; L171-L183 HydrophobicContact CD1-CB 4.25Å
172	Q	90.1	Very high	89.7	Confident	100 Å²	100	50 Å²	50	47%	0.467	26%	0.261	S	S	.	.	H	α-helix	trans	-64.6	-25.2	178.7	-76.6	177.4	-32.7	0	0	114.2	R168 T170 N174 L183	R168-Q172 HydrophobicContact CG-CG 4.48Å; R168-Q172 WeakPolarHBondContact O-CB 2.99Å; R168-Q172 VanDerWaalsContact O-CG 3.27Å; R168-Q172 WeakPolarHBondContact O-CG 3.44Å; R168-Q172 PolarHBondContact O-N 3.02Å; T170-Q172 VanDerWaalsContact C-N 3.33Å; T170-Q172 PolarHBondContact O-N 3.4Å; Q172-N174 VanDerWaalsContact C-N 3.33Å; Q172-L183 HydrophobicContact CG-CD2 4.06Å
173	K	86.1	Confident	89.6	Confident	147 Å²	147	51 Å²	51	64%	0.639	27%	0.265	S	S	*	.	H	α-helix	trans	-74.8	-25.3	178.1	-70.2	170.5	-173.5	174	0	112.5	S169 T170 L171	S169-K173 WeakPolarHBondContact O-CG 3.22Å; T170-K173 PolarHBondContact O-N 3.44Å; L171-K173 PolarHBondContact O-N 2.81Å
174	N	77.6	Confident	89.4	Confident	75 Å²	75	57.6 Å²	57.6	40%	0.401	29%	0.29	S	S	.	.	S	Bend	trans	-118.1	110.6	-173.5	-73	-28.5	0	0	0	110.2	L171 Q172 C176 H179	L171-N174 CarbonylContact O-C 3.01Å; L171-N174 PolarHBondContact O-N 3.36Å; Q172-N174 VanDerWaalsContact C-N 3.33Å; N174-C176 PolarHBondContact O-N 3.45Å; N174-H179 WeakPolarHBondContact CB-CE1 3.1Å; N174-H179 WeakPolarHBondContact CB-ND1 3.38Å; N174-H179 PolarHBondContact O-ND1 2.86Å
175	K	68.9	Low	89.4	Confident	205 Å²	205	59.7 Å²	59.7	89%	0.891	31%	0.305	S	S	*	.			trans	-91.4	96.3	-176.8	-62.7	-175	-177.7	-178.4	0	110.9
176	C	76.3	Confident	89.4	Confident	50 Å²	50	59.7 Å²	59.7	34%	0.338	31%	0.305	S	S	.	.			trans	-135.6	169.4	162.3	76.1	0	0	0	0	111.2	N174 Q178 H179 S180	N174-C176 PolarHBondContact O-N 3.45Å; C176-Q178 PolarHBondContact SG-OE1 3.17Å; C176-H179 PolarHBondContact O-N 2.87Å; C176-H179 PolarHBondContact SG-CD2 2.9Å; C176-S180 PolarHBondContact O-N 2.89Å; C176-S180 VanDerWaalsContact O-N 3.16Å; C176-S180 PolarHBondContact O-OG 3.42Å
177	A	75.8	Confident	89.4	Confident	66 Å²	66	62.7 Å²	62.7	55%	0.545	32%	0.32	S	S	.	.	H	α-helix	trans	-61.9	-47.1	-176.2	0	0	0	0	0	111.7	H179 S180 D181	A177-H179 VanDerWaalsContact C-N 3.26Å; A177-H179 PolarHBondContact O-N 2.82Å; A177-S180 WeakPolarHBondContact O-CB 3.34Å; A177-S180 PolarHBondContact O-N 2.84Å; A177-D181 PolarHBondContact O-N 2.83Å; A177-D181 VanDerWaalsContact O-N 3.1Å
178	Q	83.2	Confident	89.4	Confident	110 Å²	110	67.9 Å²	67.9	51%	0.514	34%	0.344	S	S	.	.	H	α-helix	trans	-57.3	-40.5	178.2	-63.5	83.2	-8.4	0	0	111.7	V82 C176 S180 L182	V82-Q178 HydrophobicContact CG1-CB 4.34Å; C176-Q178 PolarHBondContact SG-OE1 3.17Å; Q178-S180 VanDerWaalsContact C-N 3.3Å; Q178-S180 PolarHBondContact O-N 2.96Å; Q178-L182 VanDerWaalsContact O-CB 3.31Å; Q178-L182 WeakPolarHBondContact O-CB 3.29Å; Q178-L182 PolarHBondContact O-N 2.76Å; Q178-L182 VanDerWaalsContact O-N 3.07Å
179	H	88.2	Confident	89.5	Confident	21 Å²	21	67.3 Å²	67.3	10%	0.097	34%	0.343	C	S	.	.	H	α-helix	trans	-65.4	-35.3	176.7	-77	-143.2	0	0	0	112.2	V82 L171 N174 C176 A177 L183	V82-H179 WeakPolarHBondContact CG1-CD2 3.19Å; L171-H179 HydrophobicContact CD2-CB 4.2Å; N174-H179 WeakPolarHBondContact CB-CE1 3.1Å; N174-H179 WeakPolarHBondContact CB-ND1 3.38Å; N174-H179 PolarHBondContact O-ND1 2.86Å; C176-H179 PolarHBondContact O-N 2.87Å; C176-H179 PolarHBondContact SG-CD2 2.9Å; A177-H179 VanDerWaalsContact C-N 3.26Å; A177-H179 PolarHBondContact O-N 2.82Å; H179-L183 WeakPolarHBondContact O-CB 3.4Å; H179-L183 PolarHBondContact O-N 2.92Å
180	S	90.2	Very high	89.7	Confident	71 Å²	71	66.4 Å²	66.4	50%	0.497	34%	0.336	S	S	.	.	H	α-helix	trans	-71.7	-43.4	-177.5	-55.4	0	0	0	0	111.4	C176 A177 Q178 L183 R184	C176-S180 PolarHBondContact O-N 2.89Å; C176-S180 VanDerWaalsContact O-N 3.16Å; C176-S180 PolarHBondContact O-OG 3.42Å; A177-S180 WeakPolarHBondContact O-CB 3.34Å; A177-S180 PolarHBondContact O-N 2.84Å; Q178-S180 VanDerWaalsContact C-N 3.3Å; Q178-S180 PolarHBondContact O-N 2.96Å; S180-L183 PolarHBondContact O-N 2.76Å; S180-R184 PolarHBondContact O-N 2.87Å; S180-R184 VanDerWaalsContact O-N 3.11Å
181	D	92.2	Very high	89.9	Confident	84 Å²	84	69.7 Å²	69.7	45%	0.449	36%	0.36	S	S	.	.	H	α-helix	trans	-66.2	-47.3	176.1	-76.3	-38.8	0	0	0	111.9	A177 L183 R184 S185	A177-D181 PolarHBondContact O-N 2.83Å; A177-D181 VanDerWaalsContact O-N 3.1Å; D181-L183 VanDerWaalsContact C-N 3.31Å; D181-L183 PolarHBondContact O-N 3.28Å; D181-R184 WeakPolarHBondContact O-CB 3.43Å; D181-R184 PolarHBondContact O-N 2.82Å; D181-R184 IonicContact OD1-CZ 3.28Å; D181-R184 IonicContact OD1-NE 2.59Å; D181-R184 IonicContact OD1-NH2 2.76Å; D181-R184 PolarHBondContact OD1-NH2 3.03Å; D181-S185 PolarHBondContact O-N 3.41Å; D181-S185 PolarHBondContact O-OG 2.83Å
182	L	95.5	Very high	90	Very high	18 Å²	18	75.8 Å²	75.8	9%	0.094	39%	0.392	C	S	.	.	H	α-helix	trans	-60.2	-42	176.4	177.9	62.1	0	0	0	111.9	F66 L70 L79 V82 L171 Q178 R184 S185 L186	F66-L182 HydrophobicContact CE1-CD1 4.26Å; F66-L182 HydrophobicContact CZ-CD1 3.89Å; L70-L182 HydrophobicContact CD1-CD1 3.43Å; L70-L182 VanDerWaalsContact CD1-CD1 3.43Å; L70-L182 HydrophobicContact CD2-CD1 4.13Å; L70-L182 HydrophobicContact CG-CD1 4.43Å; L79-L182 HydrophobicContact CD2-CD1 3.94Å; L79-L182 HydrophobicContact CD2-CD2 3.94Å; V82-L182 HydrophobicContact CB-CD2 4.2Å; V82-L182 HydrophobicContact CG1-CD2 3.73Å; V82-L182 HydrophobicContact CG2-CD2 3.49Å; V82-L182 VanDerWaalsContact CG2-CD2 3.49Å; L171-L182 HydrophobicContact CD1-CB 4.31Å; L171-L182 HydrophobicContact CD1-CD2 3.75Å; L171-L182 HydrophobicContact CD1-CG 3.78Å; L171-L182 HydrophobicContact CD2-CD2 3.96Å; L171-L182 HydrophobicContact CG-CD2 4.49Å; Q178-L182 VanDerWaalsContact O-CB 3.31Å; Q178-L182 WeakPolarHBondContact O-CB 3.29Å; Q178-L182 PolarHBondContact O-N 2.76Å; Q178-L182 VanDerWaalsContact O-N 3.07Å; L182-R184 VanDerWaalsContact C-N 3.31Å; L182-R184 PolarHBondContact O-N 3.01Å; L182-S185 PolarHBondContact O-N 3.29Å; L182-L186 VanDerWaalsContact O-CB 3.25Å; L182-L186 WeakPolarHBondContact O-CB 3.2Å; L182-L186 PolarHBondContact O-N 3.16Å
183	L	95.4	Very high	90.3	Very high	32 Å²	32	73.1 Å²	73.1	17%	0.168	38%	0.379	C	S	.	.	H	α-helix	trans	-60.9	-40.5	177.9	177.1	62.4	0	0	0	111.6	R168 L171 Q172 H179 S180 D181 L186 I187	R168-L183 HydrophobicContact CB-CD1 4.22Å; R168-L183 HydrophobicContact CG-CD1 3.81Å; L171-L183 HydrophobicContact CD1-CB 4.25Å; Q172-L183 HydrophobicContact CG-CD2 4.06Å; H179-L183 WeakPolarHBondContact O-CB 3.4Å; H179-L183 PolarHBondContact O-N 2.92Å; S180-L183 PolarHBondContact O-N 2.76Å; D181-L183 VanDerWaalsContact C-N 3.31Å; D181-L183 PolarHBondContact O-N 3.28Å; L183-L186 PolarHBondContact O-N 3.3Å; L183-I187 HydrophobicContact CD1-CD1 3.87Å; L183-I187 HydrophobicContact CD1-CG1 4.26Å; L183-I187 HydrophobicContact CG-CD1 3.98Å; L183-I187 VanDerWaalsContact O-CG1 3.29Å; L183-I187 WeakPolarHBondContact O-CG1 3.3Å; L183-I187 PolarHBondContact O-N 2.94Å
184	R	95.3	Very high	90.7	Very high	141 Å²	141	72.1 Å²	72.1	53%	0.532	38%	0.381	S	S	.	.	H	α-helix	trans	-62.4	-52.5	175.2	173.2	173.7	52.5	143.4	-4.5	111.1	S180 D181 L182 L186 I187 E188	S180-R184 PolarHBondContact O-N 2.87Å; S180-R184 VanDerWaalsContact O-N 3.11Å; D181-R184 WeakPolarHBondContact O-CB 3.43Å; D181-R184 PolarHBondContact O-N 2.82Å; D181-R184 IonicContact OD1-CZ 3.28Å; D181-R184 IonicContact OD1-NE 2.59Å; D181-R184 IonicContact OD1-NH2 2.76Å; D181-R184 PolarHBondContact OD1-NH2 3.03Å; L182-R184 VanDerWaalsContact C-N 3.31Å; L182-R184 PolarHBondContact O-N 3.01Å; R184-L186 VanDerWaalsContact C-N 3.26Å; R184-L186 PolarHBondContact O-N 2.99Å; R184-I187 PolarHBondContact O-N 3.37Å; R184-E188 HydrophobicContact CG-CG 4.49Å; R184-E188 VanDerWaalsContact CG-OE1 3.22Å; R184-E188 WeakPolarHBondContact CG-OE1 3.43Å; R184-E188 WeakPolarHBondContact O-CG 3.42Å; R184-E188 PolarHBondContact O-N 3.47Å
185	S	96.9	Very high	91.5	Very high	44 Å²	44	69.3 Å²	69.3	31%	0.308	37%	0.365	S	S	.	.	H	α-helix	trans	-59.1	-38	178.2	-59.7	0	0	0	0	112.4	D181 L182 F189	D181-S185 PolarHBondContact O-N 3.41Å; D181-S185 PolarHBondContact O-OG 2.83Å; L182-S185 PolarHBondContact O-N 3.29Å; S185-F189 WeakPolarHBondContact O-CB 3.4Å; S185-F189 PolarHBondContact O-N 3.34Å
186	L	97.8	Very high	92.8	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-62.9	-47.2	176.3	-177.4	151.3	0	0	0	112.1	F66 F164 L167 R168 L182 L183 R184 A190 T197	F66-L186 HydrophobicContact CE1-CB 4.28Å; F66-L186 HydrophobicContact CE1-CD1 4.33Å; F66-L186 HydrophobicContact CE1-CG 4.42Å; F66-L186 HydrophobicContact CE2-CB 4.36Å; F66-L186 HydrophobicContact CZ-CB 3.74Å; F66-L186 HydrophobicContact CZ-CG 4.34Å; F164-L186 HydrophobicContact CB-CD2 4.4Å; F164-L186 HydrophobicContact CD1-CD2 4.41Å; F164-L186 HydrophobicContact CD1-CG 4.11Å; L167-L186 HydrophobicContact CB-CD1 3.76Å; L167-L186 HydrophobicContact CD2-CD1 3.44Å; L167-L186 VanDerWaalsContact CD2-CD1 3.44Å; L167-L186 HydrophobicContact CG-CD1 3.56Å; R168-L186 HydrophobicContact CB-CD2 4.07Å; L182-L186 VanDerWaalsContact O-CB 3.25Å; L182-L186 WeakPolarHBondContact O-CB 3.2Å; L182-L186 PolarHBondContact O-N 3.16Å; L183-L186 PolarHBondContact O-N 3.3Å; R184-L186 VanDerWaalsContact C-N 3.26Å; R184-L186 PolarHBondContact O-N 2.99Å; L186-A190 WeakPolarHBondContact O-CB 3Å; L186-A190 PolarHBondContact O-N 3.45Å; L186-T197 HydrophobicContact CD2-CG2 4.06Å
187	I	96.9	Very high	93.7	Very high	66 Å²	66	61.9 Å²	61.9	34%	0.338	34%	0.337	S	S	.	.	H	α-helix	trans	-66.3	-43.4	-179.9	-70	168.2	0	0	0	110.5	L183 R184 A190 S191	L183-I187 HydrophobicContact CD1-CD1 3.87Å; L183-I187 HydrophobicContact CD1-CG1 4.26Å; L183-I187 HydrophobicContact CG-CD1 3.98Å; L183-I187 VanDerWaalsContact O-CG1 3.29Å; L183-I187 WeakPolarHBondContact O-CG1 3.3Å; L183-I187 PolarHBondContact O-N 2.94Å; R184-I187 PolarHBondContact O-N 3.37Å; I187-A190 PolarHBondContact O-N 3.45Å; I187-S191 VanDerWaalsContact O-CB 3.27Å; I187-S191 WeakPolarHBondContact O-CB 3.45Å; I187-S191 PolarHBondContact O-N 2.94Å
188	E	97.4	Very high	94.7	Very high	117 Å²	117	63.5 Å²	63.5	55%	0.547	34%	0.337	S	S	.	.	H	α-helix	trans	-61	-48.9	177.5	-73	172.3	-172.9	0	0	111.6	R184 S191 L192	R184-E188 HydrophobicContact CG-CG 4.49Å; R184-E188 VanDerWaalsContact CG-OE1 3.22Å; R184-E188 WeakPolarHBondContact CG-OE1 3.43Å; R184-E188 WeakPolarHBondContact O-CG 3.42Å; R184-E188 PolarHBondContact O-N 3.47Å; E188-S191 PolarHBondContact O-N 3.42Å; E188-L192 PolarHBondContact O-N 3.27Å
189	F	97.9	Very high	95.2	Very high	27 Å²	27	61.4 Å²	61.4	12%	0.118	33%	0.329	C	S	.	.	H	α-helix	trans	-61.9	-47.3	177.8	-174.4	-81.6	0	0	0	111.8	L62 E65 F66 T69 F164 S185 S191 L192 K193	L62-F189 WeakPolarHBondContact O-CE1 3.35Å; E65-F189 HydrophobicContact CB-CZ 4.06Å; F66-F189 HydrophobicContact CB-CD1 3.83Å; F66-F189 HydrophobicContact CB-CD2 4.21Å; F66-F189 HydrophobicContact CB-CE1 3.76Å; F66-F189 HydrophobicContact CB-CE2 4.14Å; F66-F189 HydrophobicContact CB-CG 4.06Å; F66-F189 HydrophobicContact CB-CZ 3.92Å; F66-F189 HydrophobicContact CD2-CB 3.67Å; F66-F189 HydrophobicContact CD2-CD1 4.15Å; F66-F189 AromaticContact CD2-CD2 3.94Å; F66-F189 HydrophobicContact CD2-CD2 3.94Å; F66-F189 AromaticContact CD2-CG 3.66Å; F66-F189 HydrophobicContact CD2-CG 3.66Å; F66-F189 HydrophobicContact CE2-CB 4.12Å; F66-F189 HydrophobicContact CG-CD1 4.3Å; F66-F189 HydrophobicContact CG-CG 4.24Å; T69-F189 HydrophobicContact CG2-CD2 4.3Å; T69-F189 HydrophobicContact CG2-CE2 3.99Å; F164-F189 AromaticContact CE1-CD1 3.67Å; F164-F189 HydrophobicContact CE1-CD1 3.67Å; F164-F189 HydrophobicContact CE1-CE1 4.11Å; F164-F189 AromaticContact CZ-CD1 3.92Å; F164-F189 HydrophobicContact CZ-CD1 3.92Å; F164-F189 AromaticContact CZ-CE1 3.88Å; F164-F189 HydrophobicContact CZ-CE1 3.88Å; S185-F189 WeakPolarHBondContact O-CB 3.4Å; S185-F189 PolarHBondContact O-N 3.34Å; F189-S191 VanDerWaalsContact C-N 3.33Å; F189-S191 PolarHBondContact O-N 3.27Å; F189-L192 PolarHBondContact O-N 3.18Å; F189-K193 HydrophobicContact CD1-CG 4.06Å; F189-K193 HydrophobicContact CE1-CG 3.68Å; F189-K193 HydrophobicContact CZ-CG 4.09Å; F189-K193 WeakPolarHBondContact O-CG 3.37Å; F189-K193 PolarHBondContact O-N 2.92Å
190	A	96.9	Very high	95.5	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-64.1	-38.9	-179.9	0	0	0	0	0	111.8	F164 L186 I187 K193 N194 I195 T197	F164-A190 HydrophobicContact CD1-CB 3.97Å; F164-A190 HydrophobicContact CG-CB 4.42Å; L186-A190 WeakPolarHBondContact O-CB 3Å; L186-A190 PolarHBondContact O-N 3.45Å; I187-A190 PolarHBondContact O-N 3.45Å; A190-K193 CarbonylContact O-C 3.55Å; A190-K193 PolarHBondContact O-N 3.44Å; A190-N194 PolarHBondContact O-N 3.26Å; A190-I195 HydrophobicContact CB-CB 4.19Å; A190-I195 PolarHBondContact O-N 3.36Å; A190-T197 HydrophobicContact CB-CG2 3.2Å
191	S	96.4	Very high	95.5	Very high	85 Å²	85	64.4 Å²	64.4	59%	0.594	35%	0.352	S	S	*	.	H	α-helix	trans	-61.4	-45.2	174.3	-171.9	0	0	0	0	111.5	I187 E188 F189 K193 N194	I187-S191 VanDerWaalsContact O-CB 3.27Å; I187-S191 WeakPolarHBondContact O-CB 3.45Å; I187-S191 PolarHBondContact O-N 2.94Å; E188-S191 PolarHBondContact O-N 3.42Å; F189-S191 VanDerWaalsContact C-N 3.33Å; F189-S191 PolarHBondContact O-N 3.27Å; S191-K193 VanDerWaalsContact C-N 3.25Å; S191-K193 PolarHBondContact O-N 3.03Å; S191-N194 PolarHBondContact O-N 2.63Å; S191-N194 VanDerWaalsContact O-N 3.17Å
192	L	95.9	Very high	95.6	Very high	133 Å²	133	62.8 Å²	62.8	70%	0.696	35%	0.347	S	S	*	.	H	α-helix	trans	-61.2	-35.7	177.5	-179.3	65.7	0	0	0	112.3	E188 F189	E188-L192 PolarHBondContact O-N 3.27Å; F189-L192 PolarHBondContact O-N 3.18Å
193	K	94.8	Very high	95.6	Very high	44 Å²	44	64.2 Å²	64.2	19%	0.191	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	4.3	179.3	-61.3	-60.7	-175.3	177.4	0	113.8	F33 L62 F189 A190 S191 I195	F33-K193 WeakPolarHBondContact CE1-O 3.23Å; L62-K193 HydrophobicContact CD2-CD 4.47Å; F189-K193 HydrophobicContact CD1-CG 4.06Å; F189-K193 HydrophobicContact CE1-CG 3.68Å; F189-K193 HydrophobicContact CZ-CG 4.09Å; F189-K193 WeakPolarHBondContact O-CG 3.37Å; F189-K193 PolarHBondContact O-N 2.92Å; A190-K193 CarbonylContact O-C 3.55Å; A190-K193 PolarHBondContact O-N 3.44Å; S191-K193 VanDerWaalsContact C-N 3.25Å; S191-K193 PolarHBondContact O-N 3.03Å; K193-I195 VanDerWaalsContact C-N 3.26Å; K193-I195 HydrophobicContact CB-CD1 3.76Å; K193-I195 HydrophobicContact CB-CG1 3.81Å; K193-I195 PolarHBondContact O-N 3.33Å
194	N	94.8	Very high	95.5	Very high	126 Å²	126	65 Å²	65	67%	0.674	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	37.6	-175	-55.1	-70.7	0	0	0	114	F33 A190 S191	F33-N194 HydrophobicContact CE1-CB 4.02Å; F33-N194 VanDerWaalsContact CZ-O 3.31Å; F33-N194 WeakPolarHBondContact CZ-O 3.48Å; A190-N194 PolarHBondContact O-N 3.26Å; S191-N194 PolarHBondContact O-N 2.63Å; S191-N194 VanDerWaalsContact O-N 3.17Å
195	I	94.7	Very high	95.5	Very high	15 Å²	15	65.1 Å²	65.1	8%	0.077	36%	0.359	C	S	.	.			trans	-94.9	126.5	178.7	-54.6	172.1	0	0	0	109.4	L62 F164 A190 K193 T197	L62-I195 HydrophobicContact CB-CD1 3.86Å; L62-I195 HydrophobicContact CD1-CD1 3.59Å; L62-I195 HydrophobicContact CD1-CG1 4.17Å; L62-I195 HydrophobicContact CG-CD1 4.33Å; F164-I195 HydrophobicContact CB-CG2 4.34Å; F164-I195 HydrophobicContact CD2-CD1 3.94Å; F164-I195 HydrophobicContact CD2-CG2 3.74Å; F164-I195 HydrophobicContact CE1-CD1 4.5Å; F164-I195 HydrophobicContact CE2-CD1 3.45Å; F164-I195 VanDerWaalsContact CE2-CD1 3.45Å; F164-I195 HydrophobicContact CE2-CG2 4.34Å; F164-I195 HydrophobicContact CG-CG2 4.16Å; F164-I195 HydrophobicContact CZ-CD1 3.77Å; A190-I195 HydrophobicContact CB-CB 4.19Å; A190-I195 PolarHBondContact O-N 3.36Å; K193-I195 VanDerWaalsContact C-N 3.26Å; K193-I195 HydrophobicContact CB-CD1 3.76Å; K193-I195 HydrophobicContact CB-CG1 3.81Å; K193-I195 PolarHBondContact O-N 3.33Å; I195-T197 PolarHBondContact O-N 3.17Å
196	P	95.6	Very high	95.4	Very high	85 Å²	85	66.1 Å²	66.1	55%	0.552	36%	0.361	S	S	*	.			trans	-68.7	131.4	176.8	26.9	-32.7	0	0	0	111	N162	N162-P196 PolarHBondContact ND2-O 3.45Å; N162-P196 PolarHBondContact OD1-O 3.08Å
197	T	96.5	Very high	95.3	Very high	14 Å²	14	66.2 Å²	66.2	9%	0.086	36%	0.362	C	S	.	.			trans	-110.5	-8	179.8	60	0	0	0	0	113.5	F164 A165 R168 L186 A190 I195	F164-T197 HydrophobicContact CB-CG2 4Å; A165-T197 WeakPolarHBondContact CA-O 3.42Å; A165-T197 WeakPolarHBondContact CB-O 3.44Å; R168-T197 WeakPolarHBondContact CD-O 3.4Å; R168-T197 PolarHBondContact NH1-OG1 3.37Å; L186-T197 HydrophobicContact CD2-CG2 4.06Å; A190-T197 HydrophobicContact CB-CG2 3.2Å; I195-T197 PolarHBondContact O-N 3.17Å
198	D	95.4	Very high	95.2	Very high	101 Å²	101	70 Å²	70	54%	0.54	38%	0.376	S	S	.	.	S	Bend	trans	-85.5	141.8	174	-70.5	-68	0	0	0	111.3	R168 S200	R168-D198 IonicContact CZ-OD1 2.94Å; R168-D198 IonicContact CZ-OD2 2.73Å; R168-D198 IonicContact NH1-OD1 3.69Å; R168-D198 PolarHBondContact NH1-OD1 3.07Å; R168-D198 IonicContact NH1-OD2 3.57Å; R168-D198 PolarHBondContact NH1-OD2 2.89Å; R168-D198 IonicContact NH2-OD1 3.72Å; R168-D198 PolarHBondContact NH2-OD1 3.02Å; R168-D198 IonicContact NH2-OD2 2.87Å; D198-S200 PolarHBondContact O-N 2.9Å
199	L	94.4	Very high	95.1	Very high	66 Å²	66	71.1 Å²	71.1	35%	0.346	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-69.8	125.4	171.6	-59.8	179.7	0	0	0	109.6	C159 G160 A165 S201	C159-L199 VanDerWaalsContact O-CD2 3.29Å; C159-L199 WeakPolarHBondContact O-CD2 3.15Å; G160-L199 VanDerWaalsContact CA-CD2 3.41Å; A165-L199 HydrophobicContact CB-CD2 4.06Å; L199-S201 PolarHBondContact O-N 3.41Å
200	S	93.6	Very high	94.8	Very high	51 Å²	51	74.9 Å²	74.9	36%	0.357	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-67.4	129.4	169.5	140.3	0	0	0	0	111.3	D198 S202 Y203	D198-S200 PolarHBondContact O-N 2.9Å; S200-S202 VanDerWaalsContact C-N 3.26Å; S200-S202 PolarHBondContact O-N 3.07Å; S200-S202 PolarHBondContact OG-N 3.18Å; S200-S202 PolarHBondContact OG-OG 3.32Å; S200-Y203 PolarHBondContact OG-N 3.06Å; S200-Y203 VanDerWaalsContact OG-N 3.11Å
201	S	91.2	Very high	94.7	Very high	103 Å²	103	76.6 Å²	76.6	72%	0.72	40%	0.4	S	S	*	.	S	Bend	trans	-75.3	-12.8	-179.4	65	0	0	0	0	113.8	L199 K205	L199-S201 PolarHBondContact O-N 3.41Å; S201-K205 WeakPolarHBondContact O-CE 3.48Å
202	S	94.4	Very high	94.6	Very high	50 Å²	50	74.3 Å²	74.3	35%	0.35	38%	0.382	S	S	.	.	S	Bend	trans	-102.5	-25.3	-179.5	74.5	0	0	0	0	113.1	S200 M204 K205 D206	S200-S202 VanDerWaalsContact C-N 3.26Å; S200-S202 PolarHBondContact O-N 3.07Å; S200-S202 PolarHBondContact OG-N 3.18Å; S200-S202 PolarHBondContact OG-OG 3.32Å; S202-M204 PolarHBondContact O-N 2.95Å; S202-K205 CarbonylContact O-C 3.58Å; S202-K205 WeakPolarHBondContact O-CA 3.43Å; S202-K205 VanDerWaalsContact O-CB 3.3Å; S202-K205 WeakPolarHBondContact O-CB 3.2Å; S202-K205 PolarHBondContact O-N 3.03Å; S202-D206 VanDerWaalsContact CB-OD2 3.31Å; S202-D206 WeakPolarHBondContact CB-OD2 3.27Å; S202-D206 PolarHBondContact O-N 2.79Å; S202-D206 PolarHBondContact OG-OD2 3.02Å
203	Y	95.2	Very high	94.5	Very high	49 Å²	49	69.5 Å²	69.5	19%	0.192	36%	0.36	C	S	.	.	H	α-helix	trans	-50.3	-54.3	-169.2	-177	-87.8	0	0	0	113.6	F144 Y158 Q161 S200 K205 D206 R207	F144-Y203 HydrophobicContact CB-CE1 3.81Å; F144-Y203 AromaticContact CD1-CE1 3.96Å; F144-Y203 HydrophobicContact CD1-CE1 3.96Å; F144-Y203 WeakPolarHBondContact CD1-OH 3.31Å; F144-Y203 AromaticContact CG-CE1 3.9Å; F144-Y203 HydrophobicContact CG-CE1 3.9Å; Y158-Y203 AromaticContact CE2-CD1 3.78Å; Y158-Y203 HydrophobicContact CE2-CD1 3.78Å; Y158-Y203 HydrophobicContact CE2-CE1 4.12Å; Q161-Y203 HydrophobicContact CG-CD1 4.4Å; Q161-Y203 HydrophobicContact CG-CD2 3.63Å; Q161-Y203 HydrophobicContact CG-CE2 3.99Å; Q161-Y203 HydrophobicContact CG-CG 3.87Å; S200-Y203 PolarHBondContact OG-N 3.06Å; S200-Y203 VanDerWaalsContact OG-N 3.11Å; Y203-K205 VanDerWaalsContact C-N 3.32Å; Y203-K205 PolarHBondContact O-N 2.76Å; Y203-D206 PolarHBondContact O-N 3.29Å; Y203-R207 WeakPolarHBondContact O-CB 3.43Å; Y203-R207 PolarHBondContact O-N 2.76Å
204	M	94.4	Very high	94.2	Very high	48 Å²	48	70.6 Å²	70.6	24%	0.236	37%	0.373	C	S	.	.	H	α-helix	trans	-71.3	-27.5	179	-72.8	-55.1	-67.2	0	0	113	Y158 S202 K208 I219	Y158-M204 HydrophobicContact CD1-CG 3.69Å; Y158-M204 HydrophobicContact CD2-CG 3.49Å; Y158-M204 VanDerWaalsContact CD2-CG 3.49Å; Y158-M204 HydrophobicContact CD2-SD 3.45Å; Y158-M204 WeakPolarHBondContact CD2-SD 3.46Å; Y158-M204 HydrophobicContact CE1-CG 4.07Å; Y158-M204 HydrophobicContact CE2-CG 3.88Å; Y158-M204 HydrophobicContact CE2-SD 4.01Å; Y158-M204 HydrophobicContact CG-CG 3.38Å; Y158-M204 HydrophobicContact CG-SD 3.85Å; S202-M204 PolarHBondContact O-N 2.95Å; M204-K208 WeakPolarHBondContact O-CB 3.3Å; M204-K208 PolarHBondContact O-N 2.91Å; M204-I219 HydrophobicContact CE-CD1 4.31Å
205	K	94.7	Very high	93.9	Very high	143 Å²	143	67.2 Å²	67.2	62%	0.622	36%	0.357	S	S	*	.	H	α-helix	trans	-66.4	-41.1	172.7	-60.4	177.8	-177.3	168.9	0	110.5	S201 S202 Y203 K209	S201-K205 WeakPolarHBondContact O-CE 3.48Å; S202-K205 CarbonylContact O-C 3.58Å; S202-K205 WeakPolarHBondContact O-CA 3.43Å; S202-K205 VanDerWaalsContact O-CB 3.3Å; S202-K205 WeakPolarHBondContact O-CB 3.2Å; S202-K205 PolarHBondContact O-N 3.03Å; Y203-K205 VanDerWaalsContact C-N 3.32Å; Y203-K205 PolarHBondContact O-N 2.76Å; K205-K209 WeakPolarHBondContact O-CG 3.22Å; K205-K209 PolarHBondContact O-N 2.84Å
206	D	95	Very high	93.6	Very high	66 Å²	66	71.3 Å²	71.3	35%	0.353	38%	0.378	S	S	.	.	H	α-helix	trans	-74.1	-41.6	-180	-64.9	-33.7	0	0	0	111.7	S202 Y203 K208 K209	S202-D206 VanDerWaalsContact CB-OD2 3.31Å; S202-D206 WeakPolarHBondContact CB-OD2 3.27Å; S202-D206 PolarHBondContact O-N 2.79Å; S202-D206 PolarHBondContact OG-OD2 3.02Å; Y203-D206 PolarHBondContact O-N 3.29Å; D206-K208 PolarHBondContact O-N 2.76Å; D206-K209 WeakPolarHBondContact O-CB 3.36Å; D206-K209 PolarHBondContact O-N 3.45Å; D206-K209 IonicContact OD1-NZ 2.72Å; D206-K209 PolarHBondContact OD1-NZ 2.75Å
207	R	95.9	Very high	93.4	Very high	1 Å²	1	68.3 Å²	68.3	0%	0.004	36%	0.357	C	S	.	.	H	α-helix	trans	-60	-44.2	170.9	-177.2	174.5	173.8	-80.4	-0.6	111.7	D137 Y203 K209 R210 Q211 I219 G220 V222	D137-R207 IonicContact OD1-CZ 3.4Å; D137-R207 IonicContact OD1-NE 3.28Å; D137-R207 PolarHBondContact OD1-NE 3.34Å; D137-R207 IonicContact OD1-NH2 2.7Å; D137-R207 PolarHBondContact OD1-NH2 3.3Å; D137-R207 IonicContact OD2-NE 3.24Å; D137-R207 PolarHBondContact OD2-NE 2.91Å; Y203-R207 WeakPolarHBondContact O-CB 3.43Å; Y203-R207 PolarHBondContact O-N 2.76Å; R207-K209 PolarHBondContact O-N 2.81Å; R207-R210 WeakPolarHBondContact O-CB 3.2Å; R207-R210 PolarHBondContact O-N 3.1Å; R207-Q211 PolarHBondContact O-N 3.43Å; R207-I219 PolarHBondContact NH1-O 3Å; R207-G220 PolarHBondContact NH2-O 3.03Å; R207-V222 HydrophobicContact CG-CG2 4.47Å
208	K	94.5	Very high	93.2	Very high	147 Å²	147	73.6 Å²	73.6	64%	0.639	38%	0.381	S	S	*	.	H	α-helix	trans	-60.8	-26.2	179.3	-171.5	171.7	-174.8	176.6	0	113.1	M204 D206 R210 Q211	M204-K208 WeakPolarHBondContact O-CB 3.3Å; M204-K208 PolarHBondContact O-N 2.91Å; D206-K208 PolarHBondContact O-N 2.76Å; K208-R210 VanDerWaalsContact C-N 3.28Å; K208-R210 PolarHBondContact O-N 3.02Å; K208-Q211 WeakPolarHBondContact O-CB 3.38Å; K208-Q211 PolarHBondContact O-N 3.22Å
209	K	94.2	Very high	93.2	Very high	140 Å²	140	69 Å²	69	61%	0.609	36%	0.356	S	S	*	.	H	α-helix	trans	-67.7	-26.2	172.6	-65.7	166.2	-169.8	163.3	0	113	K205 D206 R207	K205-K209 WeakPolarHBondContact O-CG 3.22Å; K205-K209 PolarHBondContact O-N 2.84Å; D206-K209 WeakPolarHBondContact O-CB 3.36Å; D206-K209 PolarHBondContact O-N 3.45Å; D206-K209 IonicContact OD1-NZ 2.72Å; D206-K209 PolarHBondContact OD1-NZ 2.75Å; R207-K209 PolarHBondContact O-N 2.81Å
210	R	93.2	Very high	93.1	Very high	105 Å²	105	66 Å²	66	40%	0.396	34%	0.341	S	S	.	.	H	α-helix	trans	-91.5	-8.2	178.4	-60.4	-176.4	-71.6	117	-2.3	113	P22 D137 R207 K208 V222	P22-R210 HydrophobicContact CB-CG 4.27Å; D137-R210 IonicContact OD2-NH1 3.87Å; R207-R210 WeakPolarHBondContact O-CB 3.2Å; R207-R210 PolarHBondContact O-N 3.1Å; K208-R210 VanDerWaalsContact C-N 3.28Å; K208-R210 PolarHBondContact O-N 3.02Å; R210-V222 HydrophobicContact CB-CG1 4.17Å
211	Q	94.5	Very high	93.2	Very high	37 Å²	37	66 Å²	66	17%	0.173	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	131.8	-173.8	-176.6	-173.7	-27.5	0	0	110.9	R207 K208 C213 L221 V222	R207-Q211 PolarHBondContact O-N 3.43Å; K208-Q211 WeakPolarHBondContact O-CB 3.38Å; K208-Q211 PolarHBondContact O-N 3.22Å; Q211-C213 WeakPolarHBondContact CG-O 3.44Å; Q211-C213 PolarHBondContact NE2-O 3.32Å; Q211-L221 CarbonylContact C-O 3.6Å; Q211-L221 WeakPolarHBondContact CA-O 3.42Å; Q211-L221 WeakPolarHBondContact CG-O 3.32Å; Q211-V222 HydrophobicContact CB-CG2 4.43Å
212	V	94.5	Very high	93.3	Very high	36 Å²	36	61.9 Å²	61.9	22%	0.218	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-24.1	179.2	-59.1	0	0	0	0	112.8	L221 I223 V225 Y232	V212-L221 HydrophobicContact CG2-CB 4.07Å; V212-L221 HydrophobicContact CG2-CD2 4.01Å; V212-L221 HydrophobicContact CG2-CG 4.06Å; V212-L221 WeakPolarHBondContact CG2-O 3.26Å; V212-L221 PolarHBondContact N-O 3.19Å; V212-I223 HydrophobicContact CB-CG2 4.37Å; V212-I223 HydrophobicContact CG1-CG2 3.88Å; V212-I223 HydrophobicContact CG2-CG2 3.57Å; V212-V225 HydrophobicContact CG1-CG2 3.85Å; V212-Y232 HydrophobicContact CB-CD1 3.77Å; V212-Y232 HydrophobicContact CB-CD2 4.06Å; V212-Y232 HydrophobicContact CB-CE1 4.15Å; V212-Y232 HydrophobicContact CB-CE2 4.44Å; V212-Y232 HydrophobicContact CB-CG 3.71Å; V212-Y232 HydrophobicContact CG1-CG 4.32Å; V212-Y232 HydrophobicContact CG2-CD1 4.22Å; V212-Y232 HydrophobicContact CG2-CD2 3.57Å; V212-Y232 HydrophobicContact CG2-CE1 4.48Å; V212-Y232 HydrophobicContact CG2-CE2 3.89Å; V212-Y232 HydrophobicContact CG2-CG 3.75Å; V212-Y232 WeakPolarHBondContact O-CE1 3.34Å
213	C	92.5	Very high	93.2	Very high	32 Å²	32	61.5 Å²	61.5	22%	0.216	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	158.7	172.6	69.8	0	0	0	0	112.6	Q211 G220 L221 Y232	Q211-C213 WeakPolarHBondContact CG-O 3.44Å; Q211-C213 PolarHBondContact NE2-O 3.32Å; C213-G220 CarbonylContact O-C 3.52Å; C213-G220 WeakPolarHBondContact O-CA 3.31Å; C213-L221 PolarHBondContact O-N 3Å; C213-Y232 HydrophobicContact CB-CE2 4.37Å; C213-Y232 VanDerWaalsContact CB-OH 3.24Å; C213-Y232 WeakPolarHBondContact CB-OH 3.17Å
214	S	88.1	Confident	93	Very high	67 Å²	67	66.1 Å²	66.1	47%	0.469	33%	0.329	S	S	.	.			trans	-75.1	-19.8	177.2	56.8	0	0	0	0	115.1	H218 G220	S214-H218 CarbonylContact O-C 3.6Å; S214-H218 WeakPolarHBondContact O-CA 3.17Å; S214-H218 PolarHBondContact O-N 2.63Å; S214-G220 VanDerWaalsContact C-CA 3.44Å; S214-G220 WeakPolarHBondContact O-CA 3.47Å; S214-G220 PolarHBondContact O-N 3.2Å; S214-G220 VanDerWaalsContact O-N 3.13Å
215	T	90.3	Very high	92.8	Very high	56 Å²	56	66.1 Å²	66.1	34%	0.344	33%	0.332	S	S	.	.			trans	48.9	-172	-166.8	77.5	0	0	0	0	111.6	N217 L221	T215-N217 VanDerWaalsContact OG1-CG 3.25Å; T215-N217 PolarHBondContact OG1-N 2.93Å; T215-N217 PolarHBondContact OG1-OD1 3.42Å; T215-L221 HydrophobicContact CG2-CB 4.06Å
216	I	88.1	Confident	92.6	Very high	100 Å²	100	62.8 Å²	62.8	51%	0.513	32%	0.323	S	S	.	.	S	Bend	trans	-83.8	-15.5	177	56.6	168.3	0	0	0	113.1	H218 L243	I216-H218 VanDerWaalsContact C-N 3.28Å; I216-H218 PolarHBondContact O-CD2 3.28Å; I216-H218 VanDerWaalsContact O-CD2 3.22Å; I216-L243 HydrophobicContact CD1-CD1 4.01Å; I216-L243 HydrophobicContact CD1-CD2 3.97Å
217	N	91.4	Very high	92.5	Very high	22 Å²	22	68.5 Å²	68.5	12%	0.118	35%	0.345	C	S	.	.	S	Bend	trans	-85.3	-1.8	177.1	72.6	15.4	0	0	0	113.3	G154 L156 T215 I219 G220	G154-N217 WeakPolarHBondContact O-CA 3.41Å; G154-N217 VanDerWaalsContact O-CB 3.22Å; G154-N217 WeakPolarHBondContact O-CB 3Å; L156-N217 HydrophobicContact CD1-CB 4.16Å; L156-N217 HydrophobicContact CG-CB 4.36Å; L156-N217 PolarHBondContact N-O 2.95Å; T215-N217 VanDerWaalsContact OG1-CG 3.25Å; T215-N217 PolarHBondContact OG1-N 2.93Å; T215-N217 PolarHBondContact OG1-OD1 3.42Å; N217-I219 PolarHBondContact O-N 2.95Å; N217-I219 PolarHBondContact OD1-N 3.35Å; N217-G220 PolarHBondContact OD1-N 3.03Å; N217-G220 VanDerWaalsContact OD1-N 3.1Å
218	H	92.1	Very high	92.3	Very high	126 Å²	126	73.9 Å²	73.9	58%	0.583	37%	0.374	S	S	*	.	S	Bend	trans	64.2	-15.5	-178.6	-65.4	-105.8	0	0	0	117.3	S214 I216	S214-H218 CarbonylContact O-C 3.6Å; S214-H218 WeakPolarHBondContact O-CA 3.17Å; S214-H218 PolarHBondContact O-N 2.63Å; I216-H218 VanDerWaalsContact C-N 3.28Å; I216-H218 PolarHBondContact O-CD2 3.28Å; I216-H218 VanDerWaalsContact O-CD2 3.22Å
219	I	94.2	Very high	92.1	Very high	5 Å²	5	71.8 Å²	71.8	3%	0.026	37%	0.369	C	S	.	.	S	Bend	trans	-70.6	-40.4	171.1	-72.6	-66	0	0	0	110.8	F135 F144 A146 L156 M204 R207 N217	F135-I219 HydrophobicContact CD1-CG2 3.94Å; F135-I219 HydrophobicContact CD2-CG2 4.12Å; F135-I219 HydrophobicContact CE1-CG2 3.59Å; F135-I219 HydrophobicContact CE2-CB 4.36Å; F135-I219 HydrophobicContact CE2-CG2 3.77Å; F135-I219 HydrophobicContact CG-CG2 4.2Å; F135-I219 HydrophobicContact CZ-CB 4.42Å; F135-I219 HydrophobicContact CZ-CG2 3.49Å; F135-I219 VanDerWaalsContact CZ-CG2 3.49Å; F144-I219 HydrophobicContact CE2-CD1 4.02Å; F144-I219 HydrophobicContact CE2-CG2 4.47Å; F144-I219 HydrophobicContact CZ-CD1 4.38Å; F144-I219 HydrophobicContact CZ-CG2 3.85Å; A146-I219 HydrophobicContact CB-CD1 4.46Å; L156-I219 HydrophobicContact CB-CB 4.36Å; L156-I219 HydrophobicContact CB-CD1 4.26Å; L156-I219 HydrophobicContact CB-CG1 3.31Å; L156-I219 HydrophobicContact CD1-CG1 4.19Å; L156-I219 HydrophobicContact CG-CG1 4.4Å; M204-I219 HydrophobicContact CE-CD1 4.31Å; R207-I219 PolarHBondContact NH1-O 3Å; N217-I219 PolarHBondContact O-N 2.95Å; N217-I219 PolarHBondContact OD1-N 3.35Å
220	G	93.3	Very high	92	Very high	3 Å²	3	70.5 Å²	70.5	3%	0.031	37%	0.368	C	S	.	.			trans	81.9	168.3	173.3	0	0	0	0	0	116.1	R207 C213 S214 N217	R207-G220 PolarHBondContact NH2-O 3.03Å; C213-G220 CarbonylContact O-C 3.52Å; C213-G220 WeakPolarHBondContact O-CA 3.31Å; S214-G220 VanDerWaalsContact C-CA 3.44Å; S214-G220 WeakPolarHBondContact O-CA 3.47Å; S214-G220 PolarHBondContact O-N 3.2Å; S214-G220 VanDerWaalsContact O-N 3.13Å; N217-G220 PolarHBondContact OD1-N 3.03Å; N217-G220 VanDerWaalsContact OD1-N 3.1Å
221	L	94.7	Very high	91.9	Very high	51 Å²	51	67.5 Å²	67.5	27%	0.267	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	133.5	-171.9	-176	65.8	0	0	0	111.1	Q211 V212 C213 T215 I223	Q211-L221 CarbonylContact C-O 3.6Å; Q211-L221 WeakPolarHBondContact CA-O 3.42Å; Q211-L221 WeakPolarHBondContact CG-O 3.32Å; V212-L221 HydrophobicContact CG2-CB 4.07Å; V212-L221 HydrophobicContact CG2-CD2 4.01Å; V212-L221 HydrophobicContact CG2-CG 4.06Å; V212-L221 WeakPolarHBondContact CG2-O 3.26Å; V212-L221 PolarHBondContact N-O 3.19Å; C213-L221 PolarHBondContact O-N 3Å; T215-L221 HydrophobicContact CG2-CB 4.06Å; L221-I223 HydrophobicContact CD2-CG2 4.2Å; L221-I223 HydrophobicContact CG-CG2 4.25Å
222	V	94.9	Very high	91.9	Very high	15 Å²	15	69.5 Å²	69.5	9%	0.091	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	126.3	168	179.1	0	0	0	0	107.8	D137 R207 R210 Q211 R266	D137-V222 HydrophobicContact CB-CB 4.16Å; R207-V222 HydrophobicContact CG-CG2 4.47Å; R210-V222 HydrophobicContact CB-CG1 4.17Å; Q211-V222 HydrophobicContact CB-CG2 4.43Å; V222-R266 PolarHBondContact O-NH1 2.97Å; V222-R266 PolarHBondContact O-NH2 2.99Å
223	I	91.9	Very high	91.8	Very high	43 Å²	43	78.1 Å²	78.1	22%	0.221	41%	0.405	C	S	.	.			trans	-148.7	150.2	179.7	170.3	169.3	0	0	0	108.1	V212 L221 V225 A264	V212-I223 HydrophobicContact CB-CG2 4.37Å; V212-I223 HydrophobicContact CG1-CG2 3.88Å; V212-I223 HydrophobicContact CG2-CG2 3.57Å; L221-I223 HydrophobicContact CD2-CG2 4.2Å; L221-I223 HydrophobicContact CG-CG2 4.25Å; I223-V225 PolarHBondContact O-N 3.21Å; I223-A264 HydrophobicContact CD1-CB 4.47Å
224	D	89.9	Confident	91.7	Very high	145 Å²	145	81 Å²	81	78%	0.775	42%	0.423	S	S	*	.			trans	-66.4	124.3	176.2	-59.4	-33.6	0	0	0	110.9
225	V	91.2	Very high	91.7	Very high	49 Å²	49	83.1 Å²	83.1	30%	0.297	43%	0.429	S	S	.	.			trans	-116	123	173	-179.5	0	0	0	0	107.2	V212 I223	V212-V225 HydrophobicContact CG1-CG2 3.85Å; I223-V225 PolarHBondContact O-N 3.21Å
226	T	91.1	Very high	91.3	Very high	72 Å²	72	88 Å²	88	44%	0.442	45%	0.453	S	S	.	.			trans	-65.2	164.6	178.7	68.4	0	0	0	0	110.9	N228 D229 I230	T226-N228 PolarHBondContact O-N 3.48Å; T226-N228 PolarHBondContact OG1-N 3.11Å; T226-D229 PolarHBondContact O-N 3.14Å; T226-I230 HydrophobicContact CG2-CB 4.41Å; T226-I230 PolarHBondContact N-O 3.4Å; T226-I230 WeakPolarHBondContact OG1-CB 3.37Å; T226-I230 PolarHBondContact OG1-N 3.22Å; T226-I230 PolarHBondContact OG1-O 2.87Å
227	K	91.2	Very high	90.9	Very high	187 Å²	187	87 Å²	87	81%	0.813	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-18.1	174.2	64.9	177.8	-176.6	-179.4	0	115.3
228	N	92.7	Very high	89.8	Confident	114 Å²	114	91.1 Å²	91.1	61%	0.61	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	20.4	179.8	-63.4	-18.7	0	0	0	112.2	T226 I230	T226-N228 PolarHBondContact O-N 3.48Å; T226-N228 PolarHBondContact OG1-N 3.11Å; N228-I230 HydrophobicContact CB-CD1 4.23Å; N228-I230 HydrophobicContact CB-CG1 4.29Å; N228-I230 PolarHBondContact O-N 3.03Å; N228-I230 VanDerWaalsContact O-N 3.16Å
229	D	89.4	Confident	88.4	Confident	102 Å²	102	92.8 Å²	92.8	55%	0.545	48%	0.484	S	S	.	.	S	Bend	trans	58.9	23.1	-176.7	-63.1	-40.4	0	0	0	114.5	T226	T226-D229 PolarHBondContact O-N 3.14Å
230	I	92.9	Very high	86.7	Confident	113 Å²	113	98.7 Å²	98.7	58%	0.579	52%	0.52	S	S	*	.			trans	-86.7	122.7	173.5	-55.2	168.9	0	0	0	108.8	T226 N228	T226-I230 HydrophobicContact CG2-CB 4.41Å; T226-I230 PolarHBondContact N-O 3.4Å; T226-I230 WeakPolarHBondContact OG1-CB 3.37Å; T226-I230 PolarHBondContact OG1-N 3.22Å; T226-I230 PolarHBondContact OG1-O 2.87Å; N228-I230 HydrophobicContact CB-CD1 4.23Å; N228-I230 HydrophobicContact CB-CG1 4.29Å; N228-I230 PolarHBondContact O-N 3.03Å; N228-I230 VanDerWaalsContact O-N 3.16Å
231	G	91.9	Very high	84.8	Confident	42 Å²	42	109.3 Å²	109.3	43%	0.433	56%	0.559	S	S	.	*	S	Bend	trans	148.5	-34.5	174.1	0	0	0	0	0	113.2
232	Y	94	Very high	82.9	Confident	79 Å²	79	111.1 Å²	111.1	31%	0.31	57%	0.574	S	S	.	*			trans	-137	142.1	179.4	177.2	-102.9	0	0	0	111.6	V212 C213 P234	V212-Y232 HydrophobicContact CB-CD1 3.77Å; V212-Y232 HydrophobicContact CB-CD2 4.06Å; V212-Y232 HydrophobicContact CB-CE1 4.15Å; V212-Y232 HydrophobicContact CB-CE2 4.44Å; V212-Y232 HydrophobicContact CB-CG 3.71Å; V212-Y232 HydrophobicContact CG1-CG 4.32Å; V212-Y232 HydrophobicContact CG2-CD1 4.22Å; V212-Y232 HydrophobicContact CG2-CD2 3.57Å; V212-Y232 HydrophobicContact CG2-CE1 4.48Å; V212-Y232 HydrophobicContact CG2-CE2 3.89Å; V212-Y232 HydrophobicContact CG2-CG 3.75Å; V212-Y232 WeakPolarHBondContact O-CE1 3.34Å; C213-Y232 HydrophobicContact CB-CE2 4.37Å; C213-Y232 VanDerWaalsContact CB-OH 3.24Å; C213-Y232 WeakPolarHBondContact CB-OH 3.17Å; Y232-P234 HydrophobicContact CE1-CB 4.21Å
233	R	92.8	Very high	81.2	Confident	217 Å²	217	114 Å²	114	82%	0.819	59%	0.589	S	S	*	*			trans	-133.2	127.3	170.8	-176.4	-178.4	-64.7	-178.8	0.9	108.7
234	P	90.2	Very high	79.4	Confident	92 Å²	92	120.1 Å²	120.1	60%	0.597	62%	0.617	S	S	*	*			trans	-65.7	149.8	178.7	28	-34.7	0	0	0	111.4	Y232	Y232-P234 HydrophobicContact CE1-CB 4.21Å
235	L	87.9	Confident	78	Confident	113 Å²	113	117.5 Å²	117.5	59%	0.592	61%	0.606	S	S	*	*			trans	-71.6	142.3	170.7	-59.7	176.9	0	0	0	109.3	V237 Y239	L235-V237 HydrophobicContact CB-CG2 4.4Å; L235-V237 PolarHBondContact O-N 3.1Å; L235-Y239 HydrophobicContact CD1-CE2 3.66Å
236	N	82.7	Confident	76.9	Confident	159 Å²	159	115.7 Å²	115.7	85%	0.85	60%	0.596	S	S	*	*	S	Bend	trans	-81.5	12.3	179.2	64.2	-15.7	0	0	0	113.4
237	V	77.9	Confident	76	Confident	78 Å²	78	116.4 Å²	116.4	47%	0.473	60%	0.597	S	S	.	*	S	Bend	trans	-133.2	137.8	-179.1	-67.6	0	0	0	0	109.6	L235 Y239	L235-V237 HydrophobicContact CB-CG2 4.4Å; L235-V237 PolarHBondContact O-N 3.1Å; V237-Y239 HydrophobicContact CG2-CD2 4.47Å; V237-Y239 HydrophobicContact CG2-CE1 4.4Å; V237-Y239 HydrophobicContact CG2-CE2 3.83Å
238	S	68.3	Low	75.5	Confident	108 Å²	108	113.3 Å²	113.3	76%	0.755	59%	0.588	S	S	*	*			trans	-87.4	130	162.4	54.5	0	0	0	0	108.5
239	Y	62.4	Low	75.1	Confident	161 Å²	161	112.2 Å²	112.2	63%	0.631	58%	0.578	S	S	*	*			trans	-86.4	122.4	175.5	-69.3	-84.7	0	0	0	109.4	L235 V237	L235-Y239 HydrophobicContact CD1-CE2 3.66Å; V237-Y239 HydrophobicContact CG2-CD2 4.47Å; V237-Y239 HydrophobicContact CG2-CE1 4.4Å; V237-Y239 HydrophobicContact CG2-CE2 3.83Å
240	T	58.5	Low	75	Confident	129 Å²	129	108.6 Å²	108.6	79%	0.791	56%	0.559	S	S	*	*			trans	-123.2	7.1	172.1	53.9	0	0	0	0	112.3
241	R	53.7	Low	74.8	Confident	226 Å²	226	109.9 Å²	109.9	85%	0.853	57%	0.567	S	S	*	*	S	Bend	trans	-83.7	135.8	-177.4	-70.3	-164.9	-176.4	-153.6	1.2	111.5
242	P	54.9	Low	74.9	Confident	90 Å²	90	114.5 Å²	114.5	58%	0.584	58%	0.575	S	S	*	*			trans	-55.6	140.4	167.8	-21.8	32.2	0	0	0	110.8	E244	P242-E244 HydrophobicContact CB-CB 4.42Å; P242-E244 HydrophobicContact CB-CG 4.02Å; P242-E244 PolarHBondContact O-N 3.48Å
243	L	59.3	Low	74.8	Confident	74 Å²	74	112.9 Å²	112.9	39%	0.387	57%	0.571	S	S	.	*	S	Bend	trans	-70.6	12.5	178.1	-85.6	125.5	0	0	0	113.9	I216 T245 A246	I216-L243 HydrophobicContact CD1-CD1 4.01Å; I216-L243 HydrophobicContact CD1-CD2 3.97Å; L243-T245 PolarHBondContact O-N 3.34Å; L243-A246 HydrophobicContact CD2-CB 4.17Å; L243-A246 WeakPolarHBondContact O-CB 3.28Å; L243-A246 PolarHBondContact O-N 3.42Å
244	E	54.4	Low	74.9	Confident	173 Å²	173	104.9 Å²	104.9	81%	0.808	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	10.7	-171	-68.5	175.8	176.4	0	0	114.7	P242	P242-E244 HydrophobicContact CB-CB 4.42Å; P242-E244 HydrophobicContact CB-CG 4.02Å; P242-E244 PolarHBondContact O-N 3.48Å
245	T	60.5	Low	75.2	Confident	90 Å²	90	106.2 Å²	106.2	55%	0.552	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.8	34	165.7	6.6	0	0	0	0	111.8	L243 N247 I248	L243-T245 PolarHBondContact O-N 3.34Å; T245-N247 PolarHBondContact O-N 2.9Å; T245-N247 VanDerWaalsContact O-N 3.1Å; T245-I248 HydrophobicContact CG2-CG1 4.46Å; T245-I248 HydrophobicContact CG2-CG2 4.49Å; T245-I248 WeakPolarHBondContact O-CG1 3.39Å; T245-I248 PolarHBondContact O-N 3.48Å
246	A	67.8	Low	75.6	Confident	10 Å²	10	106.5 Å²	106.5	8%	0.083	54%	0.542	C	S	.	.	G	3₁₀ helix	trans	-56.4	-32.1	-177.3	0	0	0	0	0	113.7	L243 I248 F249	L243-A246 HydrophobicContact CD2-CB 4.17Å; L243-A246 WeakPolarHBondContact O-CB 3.28Å; L243-A246 PolarHBondContact O-N 3.42Å; A246-I248 VanDerWaalsContact C-N 3.32Å; A246-I248 PolarHBondContact O-N 2.86Å; A246-F249 WeakPolarHBondContact O-CA 3.45Å; A246-F249 WeakPolarHBondContact O-CB 3.39Å; A246-F249 PolarHBondContact O-N 3.03Å
247	N	73.3	Confident	76.3	Confident	88 Å²	88	102.2 Å²	102.2	47%	0.471	52%	0.519	S	S	.	.	G	3₁₀ helix	trans	-61.7	-33.3	-176.8	-79.1	-29.4	0	0	0	114.3	Y113 T245 F249 N250	Y113-N247 PolarHBondContact OH-ND2 3.46Å; Y113-N247 PolarHBondContact OH-OD1 3.43Å; T245-N247 PolarHBondContact O-N 2.9Å; T245-N247 VanDerWaalsContact O-N 3.1Å; N247-F249 PolarHBondContact O-N 2.85Å; N247-N250 WeakPolarHBondContact O-CB 3.14Å; N247-N250 PolarHBondContact O-N 3.27Å; N247-N250 PolarHBondContact OD1-ND2 3.11Å
248	I	80.7	Confident	77.2	Confident	121 Å²	121	99.2 Å²	99.2	62%	0.621	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-64.8	-14	176.3	59.2	151.2	0	0	0	112.4	T245 A246	T245-I248 HydrophobicContact CG2-CG1 4.46Å; T245-I248 HydrophobicContact CG2-CG2 4.49Å; T245-I248 WeakPolarHBondContact O-CG1 3.39Å; T245-I248 PolarHBondContact O-N 3.48Å; A246-I248 VanDerWaalsContact C-N 3.32Å; A246-I248 PolarHBondContact O-N 2.86Å
249	F	84.1	Confident	78.6	Confident	91 Å²	91	97 Å²	97	40%	0.399	48%	0.483	S	S	.	.	G	3₁₀ helix	trans	-99.4	-2	176.7	-56.9	-67.6	0	0	0	113.5	A246 N247 N251 K252 I253	A246-F249 WeakPolarHBondContact O-CA 3.45Å; A246-F249 WeakPolarHBondContact O-CB 3.39Å; A246-F249 PolarHBondContact O-N 3.03Å; N247-F249 PolarHBondContact O-N 2.85Å; F249-N251 VanDerWaalsContact C-N 3.31Å; F249-N251 PolarHBondContact O-N 3.14Å; F249-K252 HydrophobicContact CD1-CD 4.31Å; F249-K252 CarbonylContact O-C 3.57Å; F249-K252 WeakPolarHBondContact O-CA 3.38Å; F249-K252 WeakPolarHBondContact O-CB 3.35Å; F249-K252 PolarHBondContact O-N 3.38Å; F249-I253 HydrophobicContact CB-CD1 3.83Å; F249-I253 HydrophobicContact CB-CG1 4.04Å; F249-I253 WeakPolarHBondContact O-CG1 3.24Å; F249-I253 PolarHBondContact O-N 2.77Å
250	N	86.2	Confident	80.2	Confident	27 Å²	27	91.1 Å²	91.1	14%	0.144	47%	0.471	C	S	.	.	H	α-helix	trans	-53.2	-44.4	-173.6	-74.9	-7.7	0	0	0	112.7	N247 K252 I253 K254 M277 R280	N247-N250 WeakPolarHBondContact O-CB 3.14Å; N247-N250 PolarHBondContact O-N 3.27Å; N247-N250 PolarHBondContact OD1-ND2 3.11Å; N250-K252 PolarHBondContact O-N 2.98Å; N250-I253 PolarHBondContact O-N 2.96Å; N250-K254 VanDerWaalsContact O-CB 3.26Å; N250-K254 WeakPolarHBondContact O-CB 3.33Å; N250-K254 PolarHBondContact O-N 3.24Å; N250-M277 HydrophobicContact CB-SD 4.43Å; N250-R280 PolarHBondContact OD1-NH1 3.4Å
251	N	90.3	Very high	82	Confident	140 Å²	140	86.1 Å²	86.1	75%	0.749	44%	0.438	S	S	*	.	H	α-helix	trans	-62.2	-40.2	176	-72.2	-17.3	0	0	0	112.9	F249 H255	F249-N251 VanDerWaalsContact C-N 3.31Å; F249-N251 PolarHBondContact O-N 3.14Å; N251-H255 WeakPolarHBondContact O-CB 3.49Å; N251-H255 PolarHBondContact O-N 3.12Å
252	K	92.4	Very high	84	Confident	138 Å²	138	78.4 Å²	78.4	60%	0.6	42%	0.416	S	S	*	.	H	α-helix	trans	-70.6	-41.4	177.3	-69.2	-178.8	179.7	175.2	0	111.3	F249 N250 H255 L256	F249-K252 HydrophobicContact CD1-CD 4.31Å; F249-K252 CarbonylContact O-C 3.57Å; F249-K252 WeakPolarHBondContact O-CA 3.38Å; F249-K252 WeakPolarHBondContact O-CB 3.35Å; F249-K252 PolarHBondContact O-N 3.38Å; N250-K252 PolarHBondContact O-N 2.98Å; K252-H255 PolarHBondContact O-N 3.28Å; K252-L256 VanDerWaalsContact O-CB 3.31Å; K252-L256 WeakPolarHBondContact O-CB 3.44Å; K252-L256 VanDerWaalsContact O-CG 3.24Å; K252-L256 WeakPolarHBondContact O-CG 3.28Å; K252-L256 PolarHBondContact O-N 3.13Å
253	I	92	Very high	85.9	Confident	46 Å²	46	81.1 Å²	81.1	24%	0.236	43%	0.425	C	S	.	.	H	α-helix	trans	-61.5	-51.9	176.4	-68.1	167.6	0	0	0	109.2	F249 N250 H255 L256 L257 M277	F249-I253 HydrophobicContact CB-CD1 3.83Å; F249-I253 HydrophobicContact CB-CG1 4.04Å; F249-I253 WeakPolarHBondContact O-CG1 3.24Å; F249-I253 PolarHBondContact O-N 2.77Å; N250-I253 PolarHBondContact O-N 2.96Å; I253-H255 VanDerWaalsContact C-N 3.31Å; I253-H255 PolarHBondContact O-N 3.38Å; I253-L256 PolarHBondContact O-N 2.76Å; I253-L257 HydrophobicContact CG2-CD1 3.59Å; I253-L257 HydrophobicContact CG2-CG 4.18Å; I253-L257 VanDerWaalsContact O-CB 3.28Å; I253-L257 WeakPolarHBondContact O-CB 3.42Å; I253-L257 WeakPolarHBondContact O-CG 3.5Å; I253-L257 PolarHBondContact O-N 2.65Å; I253-M277 HydrophobicContact CB-SD 4.21Å; I253-M277 HydrophobicContact CG2-CG 4.29Å; I253-M277 HydrophobicContact CG2-SD 3.71Å
254	K	95.3	Very high	87.5	Confident	49 Å²	49	79.3 Å²	79.3	21%	0.213	42%	0.42	C	S	.	.	H	α-helix	trans	-50.8	-53	175.9	-173.5	-179.6	-176.3	-178.9	0	110.3	N250 S258 Q274 M277 D278	N250-K254 VanDerWaalsContact O-CB 3.26Å; N250-K254 WeakPolarHBondContact O-CB 3.33Å; N250-K254 PolarHBondContact O-N 3.24Å; K254-S258 WeakPolarHBondContact O-CB 3.26Å; K254-S258 PolarHBondContact O-N 2.7Å; K254-S258 PolarHBondContact O-OG 3.22Å; K254-Q274 HydrophobicContact CG-CG 4.19Å; K254-M277 HydrophobicContact CB-CB 3.81Å; K254-M277 HydrophobicContact CB-CG 3.93Å; K254-M277 HydrophobicContact CD-CB 4.28Å; K254-M277 HydrophobicContact CG-CB 4.08Å; K254-M277 HydrophobicContact CG-CG 4.5Å; K254-D278 WeakPolarHBondContact CE-OD1 3.24Å; K254-D278 IonicContact NZ-OD1 2.76Å; K254-D278 PolarHBondContact NZ-OD1 3.34Å; K254-D278 IonicContact NZ-OD2 3.05Å; K254-D278 PolarHBondContact NZ-OD2 3.47Å
255	H	96.8	Very high	89.4	Confident	120 Å²	120	77.1 Å²	77.1	56%	0.556	41%	0.414	S	S	*	.	H	α-helix	trans	-64.6	-54	-177.7	-178.8	68.3	0	0	0	112.5	N251 K252 I253 L257 S258 V259	N251-H255 WeakPolarHBondContact O-CB 3.49Å; N251-H255 PolarHBondContact O-N 3.12Å; K252-H255 PolarHBondContact O-N 3.28Å; I253-H255 VanDerWaalsContact C-N 3.31Å; I253-H255 PolarHBondContact O-N 3.38Å; H255-L257 PolarHBondContact O-N 2.9Å; H255-S258 PolarHBondContact O-OG 2.86Å; H255-V259 WeakPolarHBondContact O-CB 3.47Å; H255-V259 VanDerWaalsContact O-CG2 3.31Å; H255-V259 WeakPolarHBondContact O-CG2 3.38Å; H255-V259 PolarHBondContact O-N 3.02Å; H255-V259 VanDerWaalsContact O-N 3.1Å
256	L	96.4	Very high	91	Very high	119 Å²	119	74.2 Å²	74.2	62%	0.623	39%	0.393	S	S	*	.	H	α-helix	trans	-64.2	-44.8	-174.8	-69.5	172.3	0	0	0	112.3	K252 I253 G260	K252-L256 VanDerWaalsContact O-CB 3.31Å; K252-L256 WeakPolarHBondContact O-CB 3.44Å; K252-L256 VanDerWaalsContact O-CG 3.24Å; K252-L256 WeakPolarHBondContact O-CG 3.28Å; K252-L256 PolarHBondContact O-N 3.13Å; I253-L256 PolarHBondContact O-N 2.76Å; L256-G260 PolarHBondContact O-N 3.27Å
257	L	96.3	Very high	92.3	Very high	69 Å²	69	79.5 Å²	79.5	36%	0.361	41%	0.414	S	S	.	.	H	α-helix	trans	-71.8	-42.4	-179.3	-66.4	-175.2	0	0	0	111.9	I253 H255 V259 G260 Y261 I273	I253-L257 HydrophobicContact CG2-CD1 3.59Å; I253-L257 HydrophobicContact CG2-CG 4.18Å; I253-L257 VanDerWaalsContact O-CB 3.28Å; I253-L257 WeakPolarHBondContact O-CB 3.42Å; I253-L257 WeakPolarHBondContact O-CG 3.5Å; I253-L257 PolarHBondContact O-N 2.65Å; H255-L257 PolarHBondContact O-N 2.9Å; L257-V259 PolarHBondContact O-N 2.88Å; L257-G260 PolarHBondContact O-N 3.44Å; L257-Y261 HydrophobicContact CB-CD2 4.26Å; L257-Y261 HydrophobicContact CB-CE2 4.08Å; L257-Y261 WeakPolarHBondContact O-CB 3.07Å; L257-Y261 WeakPolarHBondContact O-CD2 3.46Å; L257-Y261 PolarHBondContact O-N 2.87Å; L257-I273 HydrophobicContact CB-CG1 3.87Å; L257-I273 HydrophobicContact CB-CG2 4.16Å; L257-I273 HydrophobicContact CD1-CD1 3.87Å; L257-I273 HydrophobicContact CD1-CG1 3.79Å; L257-I273 HydrophobicContact CG-CG1 4.48Å
258	S	97.3	Very high	93.4	Very high	14 Å²	14	78.6 Å²	78.6	10%	0.098	41%	0.407	C	S	.	.	H	α-helix	trans	-61.8	-44	178.2	59.8	0	0	0	0	112.2	K254 H255 T262 S270	K254-S258 WeakPolarHBondContact O-CB 3.26Å; K254-S258 PolarHBondContact O-N 2.7Å; K254-S258 PolarHBondContact O-OG 3.22Å; H255-S258 PolarHBondContact O-OG 2.86Å; S258-T262 WeakPolarHBondContact O-CB 3.06Å; S258-T262 PolarHBondContact O-N 2.92Å; S258-T262 PolarHBondContact O-OG1 3.4Å; S258-S270 WeakPolarHBondContact CA-OG 3.3Å; S258-S270 WeakPolarHBondContact CB-OG 3.42Å; S258-S270 PolarHBondContact O-OG 2.91Å
259	V	97.5	Very high	94.2	Very high	63 Å²	63	72.9 Å²	72.9	38%	0.382	38%	0.378	S	S	.	.	H	α-helix	trans	-63.9	-47.1	174.3	173.7	0	0	0	0	110.5	H255 L257 Y261 T262 L263	H255-V259 WeakPolarHBondContact O-CB 3.47Å; H255-V259 VanDerWaalsContact O-CG2 3.31Å; H255-V259 WeakPolarHBondContact O-CG2 3.38Å; H255-V259 PolarHBondContact O-N 3.02Å; H255-V259 VanDerWaalsContact O-N 3.1Å; L257-V259 PolarHBondContact O-N 2.88Å; V259-Y261 PolarHBondContact O-N 3.11Å; V259-T262 PolarHBondContact O-N 2.69Å; V259-L263 HydrophobicContact CG1-CD1 3.77Å; V259-L263 HydrophobicContact CG1-CG 4.24Å; V259-L263 WeakPolarHBondContact O-CG 3.46Å; V259-L263 PolarHBondContact O-N 3.48Å
260	G	96	Very high	94.8	Very high	37 Å²	37	68.8 Å²	68.8	38%	0.381	36%	0.361	S	S	.	.	H	α-helix	trans	-57.2	-49.7	179.7	0	0	0	0	0	113	L256 L257 T262 L263 A264	L256-G260 PolarHBondContact O-N 3.27Å; L257-G260 PolarHBondContact O-N 3.44Å; G260-T262 VanDerWaalsContact C-N 3.35Å; G260-T262 PolarHBondContact O-N 3.04Å; G260-L263 PolarHBondContact O-N 3.2Å; G260-A264 WeakPolarHBondContact O-CB 3.01Å; G260-A264 PolarHBondContact O-N 2.81Å
261	Y	96.9	Very high	95.2	Very high	23 Å²	23	72.2 Å²	72.2	9%	0.09	38%	0.376	C	S	.	.	H	α-helix	trans	-63.2	-40	176.2	-75.7	-55.8	0	0	0	112.4	P117 E118 L257 V259 A264 N265 R266 F269 I273	P117-Y261 HydrophobicContact CB-CE2 4.31Å; P117-Y261 HydrophobicContact CG-CE2 3.74Å; E118-Y261 VanDerWaalsContact OE1-CE1 3.26Å; E118-Y261 WeakPolarHBondContact OE1-CE1 3.31Å; E118-Y261 PolarHBondContact OE1-OH 3.34Å; E118-Y261 PolarHBondContact OE2-OH 3.28Å; L257-Y261 HydrophobicContact CB-CD2 4.26Å; L257-Y261 HydrophobicContact CB-CE2 4.08Å; L257-Y261 WeakPolarHBondContact O-CB 3.07Å; L257-Y261 WeakPolarHBondContact O-CD2 3.46Å; L257-Y261 PolarHBondContact O-N 2.87Å; V259-Y261 PolarHBondContact O-N 3.11Å; Y261-A264 CarbonylContact O-C 3.33Å; Y261-A264 PolarHBondContact O-N 3.34Å; Y261-N265 PolarHBondContact O-N 3.16Å; Y261-R266 WeakPolarHBondContact CB-O 3.15Å; Y261-R266 HydrophobicContact CD1-CB 4.05Å; Y261-R266 CarbonylContact O-C 3.56Å; Y261-R266 WeakPolarHBondContact O-CA 3.24Å; Y261-R266 PolarHBondContact O-N 3.47Å; Y261-F269 HydrophobicContact CD1-CB 3.57Å; Y261-F269 AromaticContact CD1-CD2 3.9Å; Y261-F269 HydrophobicContact CD1-CD2 3.9Å; Y261-F269 HydrophobicContact CD1-CG 4.27Å; Y261-F269 HydrophobicContact CD2-CB 3.95Å; Y261-F269 HydrophobicContact CE1-CB 3.8Å; Y261-F269 AromaticContact CE1-CD2 3.69Å; Y261-F269 HydrophobicContact CE1-CD2 3.69Å; Y261-F269 HydrophobicContact CE1-CG 4.2Å; Y261-F269 HydrophobicContact CE2-CB 4.18Å; Y261-F269 HydrophobicContact CG-CB 3.67Å; Y261-I273 HydrophobicContact CD2-CG2 4.15Å; Y261-I273 HydrophobicContact CE2-CG2 4.42Å
262	T	95.9	Very high	95.6	Very high	65 Å²	65	65.7 Å²	65.7	40%	0.399	34%	0.341	S	S	.	.	H	α-helix	trans	-62.5	-46.2	178.1	-56.7	0	0	0	0	111.4	S258 V259 G260 A264 N265 S270	S258-T262 WeakPolarHBondContact O-CB 3.06Å; S258-T262 PolarHBondContact O-N 2.92Å; S258-T262 PolarHBondContact O-OG1 3.4Å; V259-T262 PolarHBondContact O-N 2.69Å; G260-T262 VanDerWaalsContact C-N 3.35Å; G260-T262 PolarHBondContact O-N 3.04Å; T262-A264 VanDerWaalsContact C-N 3.3Å; T262-A264 PolarHBondContact O-N 2.8Å; T262-N265 PolarHBondContact O-N 3.26Å; T262-N265 VanDerWaalsContact O-N 3.11Å; T262-S270 PolarHBondContact OG1-OG 3.18Å
263	L	94.8	Very high	95.8	Very high	147 Å²	147	59.4 Å²	59.4	77%	0.77	31%	0.314	S	S	*	.	H	α-helix	trans	-67.5	-30.2	177.7	-68.1	175.5	0	0	0	112.6	V259 G260 N265	V259-L263 HydrophobicContact CG1-CD1 3.77Å; V259-L263 HydrophobicContact CG1-CG 4.24Å; V259-L263 WeakPolarHBondContact O-CG 3.46Å; V259-L263 PolarHBondContact O-N 3.48Å; G260-L263 PolarHBondContact O-N 3.2Å; L263-N265 PolarHBondContact O-N 3.29Å
264	A	92.8	Very high	96	Very high	35 Å²	35	60.7 Å²	60.7	29%	0.289	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	9.8	173.3	0	0	0	0	0	113.6	I223 G260 Y261 T262 R266	I223-A264 HydrophobicContact CD1-CB 4.47Å; G260-A264 WeakPolarHBondContact O-CB 3.01Å; G260-A264 PolarHBondContact O-N 2.81Å; Y261-A264 CarbonylContact O-C 3.33Å; Y261-A264 PolarHBondContact O-N 3.34Å; T262-A264 VanDerWaalsContact C-N 3.3Å; T262-A264 PolarHBondContact O-N 2.8Å; A264-R266 VanDerWaalsContact C-N 3.33Å; A264-R266 PolarHBondContact O-N 2.93Å
265	N	93.4	Very high	96	Very high	128 Å²	128	60.7 Å²	60.7	68%	0.684	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	40.2	-177.3	-164	43.4	0	0	0	114	Y261 T262 L263	Y261-N265 PolarHBondContact O-N 3.16Å; T262-N265 PolarHBondContact O-N 3.26Å; T262-N265 VanDerWaalsContact O-N 3.11Å; L263-N265 PolarHBondContact O-N 3.29Å
266	R	94.8	Very high	95.9	Very high	28 Å²	28	55.2 Å²	55.2	11%	0.106	30%	0.3	C	S	.	.			trans	-121.3	57.3	177.4	-61	177.2	-170.9	177.1	0.2	110.2	D137 V222 Y261 A264 E268 F269 S270	D137-R266 PolarHBondContact O-NE 2.83Å; D137-R266 PolarHBondContact O-NH1 3.46Å; D137-R266 PolarHBondContact O-NH2 2.94Å; V222-R266 PolarHBondContact O-NH1 2.97Å; V222-R266 PolarHBondContact O-NH2 2.99Å; Y261-R266 WeakPolarHBondContact CB-O 3.15Å; Y261-R266 HydrophobicContact CD1-CB 4.05Å; Y261-R266 CarbonylContact O-C 3.56Å; Y261-R266 WeakPolarHBondContact O-CA 3.24Å; Y261-R266 PolarHBondContact O-N 3.47Å; A264-R266 VanDerWaalsContact C-N 3.33Å; A264-R266 PolarHBondContact O-N 2.93Å; R266-E268 PolarHBondContact O-N 3.07Å; R266-F269 HydrophobicContact CB-CB 4.32Å; R266-F269 HydrophobicContact CB-CD2 4.01Å; R266-F269 HydrophobicContact CB-CG 4.42Å; R266-F269 HydrophobicContact CG-CD2 4.41Å; R266-F269 PolarHBondContact O-N 2.86Å; R266-F269 VanDerWaalsContact O-N 3.11Å; R266-S270 PolarHBondContact O-N 3.32Å
267	K	95.1	Very high	95.8	Very high	121 Å²	121	50.4 Å²	50.4	53%	0.526	28%	0.275	S	S	.	.	H	α-helix	trans	-60.8	-32.4	-169.7	-65.9	179.3	-176.6	175.1	0	112.8	S270 Q271	K267-S270 WeakPolarHBondContact O-CA 3.47Å; K267-S270 VanDerWaalsContact O-CB 3.24Å; K267-S270 WeakPolarHBondContact O-CB 3.13Å; K267-S270 PolarHBondContact O-N 3.37Å; K267-Q271 PolarHBondContact O-N 3.26Å
268	E	95.5	Very high	95.7	Very high	70 Å²	70	52.4 Å²	52.4	33%	0.327	29%	0.286	S	S	.	.	H	α-helix	trans	-62.2	-46.4	176.1	-63.4	73.8	-163.4	0	0	110.6	H53 C139 R266 S270 Q271 V272	H53-E268 HydrophobicContact CB-CB 4.13Å; H53-E268 HydrophobicContact CB-CG 4.42Å; H53-E268 WeakPolarHBondContact ND1-CG 3.45Å; C139-E268 VanDerWaalsContact SG-CB 3.59Å; R266-E268 PolarHBondContact O-N 3.07Å; E268-S270 VanDerWaalsContact C-N 3.25Å; E268-S270 PolarHBondContact O-N 2.76Å; E268-Q271 WeakPolarHBondContact O-CB 3.31Å; E268-Q271 PolarHBondContact O-N 3.29Å; E268-V272 WeakPolarHBondContact O-CG2 3.46Å; E268-V272 PolarHBondContact O-N 3.45Å
269	F	97.4	Very high	95.4	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-63.9	-32.4	174.9	-67.2	-14.2	0	0	0	112.5	P117 E118 R136 C139 Y261 R266 Q271 V272 I273	P117-F269 HydrophobicContact CB-CB 3.73Å; P117-F269 HydrophobicContact CB-CD1 3.99Å; P117-F269 HydrophobicContact CB-CG 3.91Å; E118-F269 HydrophobicContact CB-CZ 4.45Å; E118-F269 HydrophobicContact CG-CD2 4.32Å; E118-F269 HydrophobicContact CG-CE2 3.77Å; E118-F269 HydrophobicContact CG-CZ 4.15Å; R136-F269 HydrophobicContact CB-CZ 4.44Å; C139-F269 WeakPolarHBondContact SG-CE1 3.17Å; Y261-F269 HydrophobicContact CD1-CB 3.57Å; Y261-F269 AromaticContact CD1-CD2 3.9Å; Y261-F269 HydrophobicContact CD1-CD2 3.9Å; Y261-F269 HydrophobicContact CD1-CG 4.27Å; Y261-F269 HydrophobicContact CD2-CB 3.95Å; Y261-F269 HydrophobicContact CE1-CB 3.8Å; Y261-F269 AromaticContact CE1-CD2 3.69Å; Y261-F269 HydrophobicContact CE1-CD2 3.69Å; Y261-F269 HydrophobicContact CE1-CG 4.2Å; Y261-F269 HydrophobicContact CE2-CB 4.18Å; Y261-F269 HydrophobicContact CG-CB 3.67Å; R266-F269 HydrophobicContact CB-CB 4.32Å; R266-F269 HydrophobicContact CB-CD2 4.01Å; R266-F269 HydrophobicContact CB-CG 4.42Å; R266-F269 HydrophobicContact CG-CD2 4.41Å; R266-F269 PolarHBondContact O-N 2.86Å; R266-F269 VanDerWaalsContact O-N 3.11Å; F269-Q271 VanDerWaalsContact C-N 3.35Å; F269-V272 PolarHBondContact O-N 3.48Å; F269-I273 WeakPolarHBondContact O-CG2 3.39Å; F269-I273 PolarHBondContact O-N 2.72Å
270	S	97.1	Very high	95.1	Very high	6 Å²	6	54 Å²	54	4%	0.042	29%	0.287	C	S	.	.	H	α-helix	trans	-62.2	-40	170.4	-179	0	0	0	0	112.1	S258 T262 R266 K267 E268 I273 Q274	S258-S270 WeakPolarHBondContact CA-OG 3.3Å; S258-S270 WeakPolarHBondContact CB-OG 3.42Å; S258-S270 PolarHBondContact O-OG 2.91Å; T262-S270 PolarHBondContact OG1-OG 3.18Å; R266-S270 PolarHBondContact O-N 3.32Å; K267-S270 WeakPolarHBondContact O-CA 3.47Å; K267-S270 VanDerWaalsContact O-CB 3.24Å; K267-S270 WeakPolarHBondContact O-CB 3.13Å; K267-S270 PolarHBondContact O-N 3.37Å; E268-S270 VanDerWaalsContact C-N 3.25Å; E268-S270 PolarHBondContact O-N 2.76Å; S270-I273 WeakPolarHBondContact O-CG2 3.35Å; S270-Q274 WeakPolarHBondContact O-CB 3.37Å; S270-Q274 VanDerWaalsContact O-CG 3.22Å; S270-Q274 WeakPolarHBondContact O-CG 3.33Å; S270-Q274 PolarHBondContact O-N 2.92Å; S270-Q274 PolarHBondContact O-NE2 3.45Å; S270-Q274 PolarHBondContact OG-NE2 3.36Å
271	Q	96.1	Very high	94.8	Very high	98 Å²	98	57.4 Å²	57.4	46%	0.458	29%	0.288	S	S	.	.	H	α-helix	trans	-67.6	-46	175.4	-68.8	172.1	-15.3	0	0	111.4	K267 E268 F269 I273 Q274 S275	K267-Q271 PolarHBondContact O-N 3.26Å; E268-Q271 WeakPolarHBondContact O-CB 3.31Å; E268-Q271 PolarHBondContact O-N 3.29Å; F269-Q271 VanDerWaalsContact C-N 3.35Å; Q271-I273 PolarHBondContact O-N 3.35Å; Q271-Q274 PolarHBondContact O-N 3.41Å; Q271-S275 PolarHBondContact O-N 2.96Å
272	V	97.3	Very high	94.3	Very high	4 Å²	4	61.9 Å²	61.9	2%	0.024	31%	0.313	C	S	.	.	H	α-helix	trans	-58.5	-47.7	178.1	175.8	0	0	0	0	111.1	R111 P117 E268 F269 Q274 S275 H276	R111-V272 VanDerWaalsContact CZ-CG1 3.42Å; P117-V272 HydrophobicContact CB-CB 4.07Å; P117-V272 HydrophobicContact CB-CG1 3.96Å; P117-V272 HydrophobicContact CG-CG1 4.33Å; E268-V272 WeakPolarHBondContact O-CG2 3.46Å; E268-V272 PolarHBondContact O-N 3.45Å; F269-V272 PolarHBondContact O-N 3.48Å; V272-Q274 VanDerWaalsContact C-N 3.34Å; V272-Q274 PolarHBondContact O-N 3.11Å; V272-S275 PolarHBondContact O-N 3.22Å; V272-H276 VanDerWaalsContact O-CB 3.27Å; V272-H276 WeakPolarHBondContact O-CB 3.35Å; V272-H276 PolarHBondContact O-N 2.96Å
273	I	96.9	Very high	94	Very high	6 Å²	6	65.4 Å²	65.4	3%	0.031	33%	0.325	C	S	.	.	H	α-helix	trans	-68.3	-34.2	-178.9	-165.3	58.1	0	0	0	112.5	P117 L257 Y261 F269 S270 Q271 M277	P117-I273 HydrophobicContact CG-CB 3.72Å; P117-I273 HydrophobicContact CG-CD1 4.1Å; P117-I273 HydrophobicContact CG-CG1 4.33Å; L257-I273 HydrophobicContact CB-CG1 3.87Å; L257-I273 HydrophobicContact CB-CG2 4.16Å; L257-I273 HydrophobicContact CD1-CD1 3.87Å; L257-I273 HydrophobicContact CD1-CG1 3.79Å; L257-I273 HydrophobicContact CG-CG1 4.48Å; Y261-I273 HydrophobicContact CD2-CG2 4.15Å; Y261-I273 HydrophobicContact CE2-CG2 4.42Å; F269-I273 WeakPolarHBondContact O-CG2 3.39Å; F269-I273 PolarHBondContact O-N 2.72Å; S270-I273 WeakPolarHBondContact O-CG2 3.35Å; Q271-I273 PolarHBondContact O-N 3.35Å; I273-M277 HydrophobicContact CD1-CE 3.96Å; I273-M277 HydrophobicContact CD1-CG 4.07Å; I273-M277 HydrophobicContact CD1-SD 4.45Å; I273-M277 HydrophobicContact CG1-CG 4.17Å; I273-M277 WeakPolarHBondContact O-CB 3.36Å; I273-M277 WeakPolarHBondContact O-CG 3.45Å; I273-M277 PolarHBondContact O-N 2.89Å
274	Q	96.5	Very high	93.9	Very high	72 Å²	72	59.2 Å²	59.2	34%	0.336	29%	0.294	S	S	.	.	H	α-helix	trans	-63.9	-50.9	175.6	-75.2	175	90.9	0	0	110.7	K254 S270 Q271 V272 H276 M277 D278	K254-Q274 HydrophobicContact CG-CG 4.19Å; S270-Q274 WeakPolarHBondContact O-CB 3.37Å; S270-Q274 VanDerWaalsContact O-CG 3.22Å; S270-Q274 WeakPolarHBondContact O-CG 3.33Å; S270-Q274 PolarHBondContact O-N 2.92Å; S270-Q274 PolarHBondContact O-NE2 3.45Å; S270-Q274 PolarHBondContact OG-NE2 3.36Å; Q271-Q274 PolarHBondContact O-N 3.41Å; V272-Q274 VanDerWaalsContact C-N 3.34Å; V272-Q274 PolarHBondContact O-N 3.11Å; Q274-H276 VanDerWaalsContact C-N 3.34Å; Q274-H276 PolarHBondContact O-N 3.27Å; Q274-M277 PolarHBondContact O-N 3.36Å; Q274-D278 WeakPolarHBondContact O-CB 3.47Å; Q274-D278 VanDerWaalsContact O-CG 3.25Å; Q274-D278 PolarHBondContact O-N 2.91Å
275	S	95.4	Very high	94	Very high	50 Å²	50	59.7 Å²	59.7	35%	0.35	29%	0.291	S	S	.	.	H	α-helix	trans	-59.9	-43.3	177.1	-172.2	0	0	0	0	112.1	N108 Q271 V272 M277 D278 D279	N108-S275 PolarHBondContact ND2-O 3.24Å; N108-S275 VanDerWaalsContact ND2-O 3.1Å; N108-S275 PolarHBondContact ND2-OG 3.09Å; N108-S275 VanDerWaalsContact ND2-OG 3.09Å; Q271-S275 PolarHBondContact O-N 2.96Å; V272-S275 PolarHBondContact O-N 3.22Å; S275-M277 PolarHBondContact O-N 3.33Å; S275-D278 PolarHBondContact O-N 3.46Å; S275-D279 PolarHBondContact O-N 3.31Å; S275-D279 VanDerWaalsContact O-N 3.17Å
276	H	95.5	Very high	94.1	Very high	5 Å²	5	56.1 Å²	56.1	2%	0.023	27%	0.274	C	S	.	.	H	α-helix	trans	-67	-36.5	179.4	-174.1	-159.2	0	0	0	112.2	N108 R111 V272 Q274 D279 R280	N108-H276 WeakPolarHBondContact OD1-CA 3.2Å; N108-H276 PolarHBondContact OD1-N 2.83Å; R111-H276 WeakPolarHBondContact CD-ND1 3.45Å; V272-H276 VanDerWaalsContact O-CB 3.27Å; V272-H276 WeakPolarHBondContact O-CB 3.35Å; V272-H276 PolarHBondContact O-N 2.96Å; Q274-H276 VanDerWaalsContact C-N 3.34Å; Q274-H276 PolarHBondContact O-N 3.27Å; H276-D279 CarbonylContact O-C 3.57Å; H276-R280 WeakPolarHBondContact O-CA 3.41Å; H276-R280 WeakPolarHBondContact O-CB 3.44Å; H276-R280 PolarHBondContact O-N 3.26Å
277	M	94.2	Very high	94	Very high	18 Å²	18	57.4 Å²	57.4	9%	0.089	28%	0.28	C	S	.	.	H	α-helix	trans	-76.9	-24.5	177.1	-66.7	-59.8	95.2	0	0	113.2	N250 I253 K254 I273 Q274 S275 R280	N250-M277 HydrophobicContact CB-SD 4.43Å; I253-M277 HydrophobicContact CB-SD 4.21Å; I253-M277 HydrophobicContact CG2-CG 4.29Å; I253-M277 HydrophobicContact CG2-SD 3.71Å; K254-M277 HydrophobicContact CB-CB 3.81Å; K254-M277 HydrophobicContact CB-CG 3.93Å; K254-M277 HydrophobicContact CD-CB 4.28Å; K254-M277 HydrophobicContact CG-CB 4.08Å; K254-M277 HydrophobicContact CG-CG 4.5Å; I273-M277 HydrophobicContact CD1-CE 3.96Å; I273-M277 HydrophobicContact CD1-CG 4.07Å; I273-M277 HydrophobicContact CD1-SD 4.45Å; I273-M277 HydrophobicContact CG1-CG 4.17Å; I273-M277 WeakPolarHBondContact O-CB 3.36Å; I273-M277 WeakPolarHBondContact O-CG 3.45Å; I273-M277 PolarHBondContact O-N 2.89Å; Q274-M277 PolarHBondContact O-N 3.36Å; S275-M277 PolarHBondContact O-N 3.33Å; M277-R280 HydrophobicContact CE-CB 4.49Å; M277-R280 HydrophobicContact CE-CG 4.01Å
278	D	93.1	Very high	92.9	Very high	111 Å²	111	59.2 Å²	59.2	59%	0.594	30%	0.301	S	S	*	.	H	α-helix	trans	-74.1	-32	175	-73.8	-25.7	0	0	0	112.5	K254 Q274 S275	K254-D278 WeakPolarHBondContact CE-OD1 3.24Å; K254-D278 IonicContact NZ-OD1 2.76Å; K254-D278 PolarHBondContact NZ-OD1 3.34Å; K254-D278 IonicContact NZ-OD2 3.05Å; K254-D278 PolarHBondContact NZ-OD2 3.47Å; Q274-D278 WeakPolarHBondContact O-CB 3.47Å; Q274-D278 VanDerWaalsContact O-CG 3.25Å; Q274-D278 PolarHBondContact O-N 2.91Å; S275-D278 PolarHBondContact O-N 3.46Å
279	D	91.6	Very high	92.8	Very high	62 Å²	62	58.7 Å²	58.7	33%	0.332	30%	0.3	S	S	.	.	S	Bend	trans	-137.4	67.6	177	-174.1	15.1	0	0	0	110.8	S275 H276 R281	S275-D279 PolarHBondContact O-N 3.31Å; S275-D279 VanDerWaalsContact O-N 3.17Å; H276-D279 CarbonylContact O-C 3.57Å; D279-R281 VanDerWaalsContact CG-NE 3.27Å; D279-R281 PolarHBondContact O-N 3.45Å; D279-R281 WeakPolarHBondContact OD1-CG 3.15Å; D279-R281 IonicContact OD1-CZ 2.78Å; D279-R281 IonicContact OD1-NE 2.74Å; D279-R281 PolarHBondContact OD1-NE 3.45Å; D279-R281 IonicContact OD1-NH2 3.18Å; D279-R281 IonicContact OD2-CZ 3.78Å; D279-R281 VanDerWaalsContact OD2-CZ 3.24Å; D279-R281 IonicContact OD2-NE 2.82Å; D279-R281 PolarHBondContact OD2-NE 3.23Å; D279-R281 IonicContact OD2-NH2 4Å; D279-R281 PolarHBondContact OD2-NH2 3.16Å
280	R	90.7	Very high	92.6	Very high	48 Å²	48	61.7 Å²	61.7	18%	0.181	32%	0.316	C	S	.	.			trans	-86.6	99.4	-177.8	-160.7	-173.4	-177.5	172.5	-4.2	111.1	Y113 N250 H276 M277	Y113-R280 HydrophobicContact CD2-CG 3.89Å; Y113-R280 HydrophobicContact CE2-CG 3.95Å; Y113-R280 VanDerWaalsContact O-CZ 3.27Å; Y113-R280 PolarHBondContact O-NE 3Å; Y113-R280 PolarHBondContact O-NH2 3.44Å; N250-R280 PolarHBondContact OD1-NH1 3.4Å; H276-R280 WeakPolarHBondContact O-CA 3.41Å; H276-R280 WeakPolarHBondContact O-CB 3.44Å; H276-R280 PolarHBondContact O-N 3.26Å; M277-R280 HydrophobicContact CE-CB 4.49Å; M277-R280 HydrophobicContact CE-CG 4.01Å
281	R	89.8	Confident	92.3	Very high	108 Å²	108	64.8 Å²	64.8	41%	0.408	33%	0.331	S	S	.	.			trans	-98.3	152.3	-176.1	-52.9	-175.3	-175.8	-165.7	4.6	112.7	D279 E283 L285	D279-R281 VanDerWaalsContact CG-NE 3.27Å; D279-R281 PolarHBondContact O-N 3.45Å; D279-R281 WeakPolarHBondContact OD1-CG 3.15Å; D279-R281 IonicContact OD1-CZ 2.78Å; D279-R281 IonicContact OD1-NE 2.74Å; D279-R281 PolarHBondContact OD1-NE 3.45Å; D279-R281 IonicContact OD1-NH2 3.18Å; D279-R281 IonicContact OD2-CZ 3.78Å; D279-R281 VanDerWaalsContact OD2-CZ 3.24Å; D279-R281 IonicContact OD2-NE 2.82Å; D279-R281 PolarHBondContact OD2-NE 3.23Å; D279-R281 IonicContact OD2-NH2 4Å; D279-R281 PolarHBondContact OD2-NH2 3.16Å; R281-E283 WeakPolarHBondContact CB-O 3.43Å; R281-L285 VanDerWaalsContact CZ-CD2 3.46Å
282	I	86.5	Confident	92.1	Very high	117 Å²	117	62.9 Å²	62.9	60%	0.6	32%	0.324	S	S	*	.	S	Bend	trans	-71.1	-51.7	167	-64.6	174	0	0	0	108.6	Y113	Y113-I282 HydrophobicContact CD2-CG1 4.48Å
283	E	89	Confident	91.8	Very high	140 Å²	140	66.6 Å²	66.6	65%	0.654	34%	0.342	S	S	*	.	S	Bend	trans	-90.2	118.3	171.5	-62.5	-55.4	142.7	0	0	109.9	R281	R281-E283 WeakPolarHBondContact CB-O 3.43Å
284	P	93.1	Very high	91.4	Very high	17 Å²	17	70.6 Å²	70.6	11%	0.11	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-69.2	163.3	-176.1	30.7	-36.5	0	0	0	111.9	R111 F112	R111-P284 WeakPolarHBondContact O-CB 3.31Å; F112-P284 HydrophobicContact CD1-CG 3.93Å; F112-P284 HydrophobicContact CD2-CG 4.44Å; F112-P284 HydrophobicContact CE1-CG 3.75Å; F112-P284 HydrophobicContact CE2-CG 4.27Å; F112-P284 HydrophobicContact CG-CG 4.3Å; F112-P284 HydrophobicContact CZ-CG 3.94Å
285	L	96.1	Very high	91.1	Very high	44 Å²	44	70.5 Å²	70.5	23%	0.23	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-63.2	143.4	165.8	-71.3	170.3	0	0	0	110.4	N108 Y109 Y110 R281	N108-L285 HydrophobicContact CB-CD1 4.1Å; Y109-L285 CarbonylContact C-O 3.56Å; Y109-L285 WeakPolarHBondContact CA-O 3.34Å; Y109-L285 HydrophobicContact CD1-CB 4.35Å; Y109-L285 HydrophobicContact CD2-CB 4.2Å; Y109-L285 HydrophobicContact CD2-CD1 4.45Å; Y109-L285 HydrophobicContact CE2-CB 4.43Å; Y109-L285 HydrophobicContact CE2-CD1 4.26Å; Y109-L285 HydrophobicContact CG-CB 4.18Å; Y110-L285 PolarHBondContact N-O 2.98Å; R281-L285 VanDerWaalsContact CZ-CD2 3.46Å
286	T	95.5	Very high	90.7	Very high	54 Å²	54	72.1 Å²	72.1	33%	0.331	37%	0.366	S	S	.	.			trans	-129.6	165.7	176.9	55.4	0	0	0	0	109.6	Y109 Y110 T288	Y109-T286 VanDerWaalsContact CE1-O 3.32Å; Y109-T286 WeakPolarHBondContact CE1-O 3.45Å; Y110-T286 HydrophobicContact CD1-CG2 4.41Å; Y110-T286 HydrophobicContact CE1-CG2 3.77Å; Y110-T286 HydrophobicContact CE2-CG2 4.23Å; T286-T288 VanDerWaalsContact C-N 3.28Å; T286-T288 PolarHBondContact OG1-OG1 2.95Å
287	F	92.1	Very high	90.3	Very high	55 Å²	55	77.7 Å²	77.7	24%	0.241	40%	0.395	C	S	.	.			trans	-85.8	4	176.6	-69.9	-74	0	0	0	114.1	F52 E91 I92 W106 Y109 Y110	F52-F287 HydrophobicContact CE2-CE2 4.49Å; F52-F287 HydrophobicContact CE2-CZ 4.32Å; F52-F287 AromaticContact CZ-CE2 3.88Å; F52-F287 HydrophobicContact CZ-CE2 3.88Å; F52-F287 AromaticContact CZ-CZ 3.89Å; F52-F287 HydrophobicContact CZ-CZ 3.89Å; E91-F287 HydrophobicContact CB-CD2 3.99Å; E91-F287 WeakPolarHBondContact OE2-CD2 3.32Å; I92-F287 HydrophobicContact CD1-CD1 4.27Å; I92-F287 HydrophobicContact CD1-CE1 3.62Å; I92-F287 HydrophobicContact CD1-CE2 4.08Å; I92-F287 HydrophobicContact CD1-CZ 3.51Å; I92-F287 HydrophobicContact CG1-CE1 4.45Å; I92-F287 HydrophobicContact CG1-CE2 4.16Å; I92-F287 HydrophobicContact CG1-CZ 3.84Å; W106-F287 HydrophobicContact CB-CZ 4.06Å; W106-F287 AromaticContact CD1-CE1 3.59Å; W106-F287 AromaticContact CD1-CZ 3.79Å; W106-F287 HydrophobicContact CD2-CE1 4.27Å; W106-F287 HydrophobicContact CD2-CZ 4.02Å; W106-F287 AromaticContact CG-CE1 3.98Å; W106-F287 HydrophobicContact CG-CE1 3.98Å; W106-F287 AromaticContact CG-CZ 3.69Å; W106-F287 HydrophobicContact CG-CZ 3.69Å; W106-F287 AromaticContact NE1-CE1 3.68Å; Y109-F287 AromaticContact CD1-CD1 3.67Å; Y109-F287 HydrophobicContact CD1-CD1 3.67Å; Y109-F287 AromaticContact CD1-CD2 3.87Å; Y109-F287 HydrophobicContact CD1-CD2 3.87Å; Y109-F287 AromaticContact CD1-CE1 3.51Å; Y109-F287 HydrophobicContact CD1-CE1 3.51Å; Y109-F287 AromaticContact CD1-CE2 3.73Å; Y109-F287 HydrophobicContact CD1-CE2 3.73Å; Y109-F287 AromaticContact CD1-CG 3.84Å; Y109-F287 HydrophobicContact CD1-CG 3.84Å; Y109-F287 AromaticContact CD1-CZ 3.54Å; Y109-F287 HydrophobicContact CD1-CZ 3.54Å; Y109-F287 AromaticContact CE1-CD1 3.49Å; Y109-F287 HydrophobicContact CE1-CD1 3.49Å; Y109-F287 VanDerWaalsContact CE1-CD1 3.49Å; Y109-F287 HydrophobicContact CE1-CD2 4.49Å; Y109-F287 AromaticContact CE1-CE1 3.51Å; Y109-F287 HydrophobicContact CE1-CE1 3.51Å; Y109-F287 HydrophobicContact CE1-CG 4.01Å; Y109-F287 HydrophobicContact CE1-CZ 4.05Å; Y109-F287 HydrophobicContact CG-CE1 4.2Å; Y109-F287 HydrophobicContact CG-CE2 4.21Å; Y109-F287 AromaticContact CG-CZ 3.91Å; Y109-F287 HydrophobicContact CG-CZ 3.91Å; Y110-F287 HydrophobicContact CE2-CD2 4.14Å
288	T	72.3	Confident	90	Very high	158 Å²	158	83.1 Å²	83.1	97%	0.969	42%	0.423	S	S	*	.			trans	-70	0	-177.4	53.5	0	0	0	0	113.1	T286	T286-T288 VanDerWaalsContact C-N 3.28Å; T286-T288 PolarHBondContact OG1-OG1 2.95Å

Retrieved 288 of 288 residues in 281.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).