A0A3Q0KN62_SCHMA Loading...

Kinase

AlphaFold DB , UniProt , Accession A0A3Q0KN62, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 319 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.9	Very low	34.9	Very low	248 Å²	248	153 Å²	153	100%	1.222	82%	0.817	S	S	*	*				0	109	0	-71.2	175.1	-178.1	0	0	107.1
2	S	30.8	Very low	35.1	Very low	101 Å²	101	155.8 Å²	155.8	71%	0.706	82%	0.821	S	S	*	*			trans	-92.6	131.9	-170.3	177.7	0	0	0	0	110.3
3	V	39.5	Very low	35.3	Very low	142 Å²	142	156.8 Å²	156.8	86%	0.861	82%	0.819	S	S	*	*			trans	-123.4	102	169	-176.7	0	0	0	0	107.5	G5	V3-G5 PolarHBondContact O-N 2.99Å
4	N	33.3	Very low	35.2	Very low	149 Å²	149	152.5 Å²	152.5	80%	0.797	80%	0.795	S	S	*	*			trans	-76	110.6	174.5	-80.4	-25.8	0	0	0	110.3
5	G	35.6	Very low	35.6	Very low	67 Å²	67	150.5 Å²	150.5	69%	0.691	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-86.5	118.4	166.5	0	0	0	0	0	110.9	V3 F7	V3-G5 PolarHBondContact O-N 2.99Å; G5-F7 PolarHBondContact O-N 3.06Å
6	R	34.6	Very low	35.4	Very low	242 Å²	242	151.9 Å²	151.9	91%	0.913	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-67.8	121.3	178.4	-65.5	177.6	-168.8	-176.6	2.5	110.7
7	F	32.4	Very low	35.1	Very low	214 Å²	214	153.3 Å²	153.3	94%	0.939	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-75.9	124.2	160.4	-88.9	-97.8	0	0	0	108.9	G5	G5-F7 PolarHBondContact O-N 3.06Å
8	V	37.4	Very low	34.8	Very low	129 Å²	129	148.6 Å²	148.6	78%	0.782	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-91.1	118.5	170.4	179.3	0	0	0	0	107.4	E10	V8-E10 PolarHBondContact O-N 2.75Å
9	D	33.8	Very low	34.4	Very low	130 Å²	130	151.5 Å²	151.5	70%	0.695	80%	0.796	S	S	*	*			trans	-79.3	106.9	179.1	-177.4	22.7	0	0	0	110.1	S11	D9-S11 VanDerWaalsContact C-N 3.27Å; D9-S11 PolarHBondContact O-N 3.1Å; D9-S11 VanDerWaalsContact OD1-CB 3.31Å; D9-S11 WeakPolarHBondContact OD1-CB 3.31Å; D9-S11 PolarHBondContact OD1-OG 3.46Å; D9-S11 PolarHBondContact OD2-OG 3.43Å
10	E	34.8	Very low	34.2	Very low	191 Å²	191	156 Å²	156	89%	0.893	80%	0.802	S	S	*	*			trans	-88	61.9	170.9	-74.3	-168.9	156	0	0	110.6	V8	V8-E10 PolarHBondContact O-N 2.75Å
11	S	31.7	Very low	33.8	Very low	70 Å²	70	153.9 Å²	153.9	49%	0.49	80%	0.801	S	S	.	*			trans	-101.9	71.4	175.8	60.5	0	0	0	0	111.2	D9	D9-S11 VanDerWaalsContact C-N 3.27Å; D9-S11 PolarHBondContact O-N 3.1Å; D9-S11 VanDerWaalsContact OD1-CB 3.31Å; D9-S11 WeakPolarHBondContact OD1-CB 3.31Å; D9-S11 PolarHBondContact OD1-OG 3.46Å; D9-S11 PolarHBondContact OD2-OG 3.43Å
12	Q	37.3	Very low	33	Very low	186 Å²	186	153.7 Å²	153.7	87%	0.869	79%	0.787	S	S	*	*			trans	-161.3	139.8	166.4	-111.3	157.8	63.6	0	0	115
13	Q	37.2	Very low	33	Very low	170 Å²	170	158.1 Å²	158.1	79%	0.794	79%	0.794	S	S	*	*			trans	92.6	76.9	171.9	-59.8	-178.4	-0.5	0	0	118
14	M	34.5	Very low	32.9	Very low	96 Å²	96	157.5 Å²	157.5	47%	0.473	79%	0.79	S	S	.	*			trans	-129.1	118.9	143.6	-67.7	-164	74.4	0	0	108.6	I56 L96	M14-I56 HydrophobicContact CE-CG2 3.55Å; M14-L96 HydrophobicContact CE-CD2 4.01Å; M14-L96 HydrophobicContact SD-CD1 3.91Å; M14-L96 HydrophobicContact SD-CD2 3.71Å; M14-L96 HydrophobicContact SD-CG 4.49Å
15	V	40.7	Very low	32.7	Very low	122 Å²	122	158.6 Å²	158.6	74%	0.739	79%	0.79	S	S	*	*			trans	-104.6	118.9	-178.8	177.6	0	0	0	0	109.5	L17	V15-L17 HydrophobicContact CG1-CG 4.48Å
16	K	32.3	Very low	32.4	Very low	174 Å²	174	162.3 Å²	162.3	76%	0.757	79%	0.794	S	S	*	*			trans	-78.8	114.7	163.7	-78.3	177.3	-178	161.1	0	108.1	G18 D97	K16-G18 PolarHBondContact O-N 3.18Å; K16-D97 IonicContact NZ-OD2 2.66Å; K16-D97 PolarHBondContact NZ-OD2 2.89Å
17	L	30.5	Very low	32.3	Very low	175 Å²	175	157.1 Å²	157.1	92%	0.916	78%	0.783	S	S	*	*			trans	-81.8	98.2	177.2	-85.8	160.1	0	0	0	110.8	V15	V15-L17 HydrophobicContact CG1-CG 4.48Å
18	G	29.5	Very low	32.3	Very low	69 Å²	69	155.5 Å²	155.5	71%	0.711	78%	0.776	S	S	*	*			trans	-100.9	146.5	165	0	0	0	0	0	111.8	K16	K16-G18 PolarHBondContact O-N 3.18Å
19	K	28	Very low	32	Very low	203 Å²	203	155.1 Å²	155.1	88%	0.883	78%	0.776	S	S	*	*			trans	-49.5	135.3	-173.5	-61.2	172.4	177.1	177.5	0	115.3
20	R	29.4	Very low	31.6	Very low	241 Å²	241	156.6 Å²	156.6	91%	0.909	78%	0.783	S	S	*	*			trans	166.4	117.3	134.5	-91.1	161	-177.9	-162.9	1	110.3
21	S	27	Very low	31.3	Very low	113 Å²	113	152.9 Å²	152.9	79%	0.79	78%	0.778	S	S	*	*				84	124	92.8	-167.4	0	0	0	0	113.6
22	W	23.7	Very low	31	Very low	243 Å²	243	160.4 Å²	160.4	92%	0.92	80%	0.796	S	S	*	*			trans	-74	141.7	-166.2	-60.1	17.3	0	0	0	112.4
23	K	30.4	Very low	30.6	Very low	195 Å²	195	156.5 Å²	156.5	85%	0.848	79%	0.785	S	S	*	*			trans	-179.7	133.3	138.7	-100.5	167	-176.6	-174.6	0	113.4
24	T	36.1	Very low	30	Very low	128 Å²	128	154 Å²	154	79%	0.785	78%	0.783	S	S	*	*			trans	74.3	89.4	144.5	54.8	0	0	0	0	122.8
25	H	29.1	Very low	29.7	Very low	173 Å²	173	155.7 Å²	155.7	80%	0.801	79%	0.794	S	S	*	*				20.3	140.6	113.5	-82.3	-67.7	0	0	0	124.2
26	L	31	Very low	29.1	Very low	145 Å²	145	158.1 Å²	158.1	76%	0.759	80%	0.801	S	S	*	*			trans	84.4	132.4	145.3	-68.7	164.7	0	0	0	116.7
27	L	31.2	Very low	28.8	Very low	132 Å²	132	158.9 Å²	158.9	69%	0.691	81%	0.805	S	S	*	*			cis	-170.3	152.5	26.8	-100.4	150.3	0	0	0	112.7
28	K	33.1	Very low	28.7	Very low	181 Å²	181	154.7 Å²	154.7	79%	0.787	80%	0.795	S	S	*	*			trans	77.9	160.1	145.3	-73.1	174.3	-179.5	-176	0	121.4
29	P	30.2	Very low	28.6	Very low	121 Å²	121	161.2 Å²	161.2	79%	0.786	80%	0.804	S	S	*	*			cis	-134.3	170.5	-46.9	36.8	-18.5	0	0	0	114.5
30	L	26.2	Very low	28.7	Very low	161 Å²	161	159 Å²	159	84%	0.843	80%	0.797	S	S	*	*			trans	-28.9	126.4	178	-143.1	69.8	0	0	0	119.6
31	S	29.3	Very low	29	Very low	113 Å²	113	151.2 Å²	151.2	79%	0.79	78%	0.784	S	S	*	*			trans	-134.4	132.5	144.5	68.5	0	0	0	0	109.9
32	W	24.1	Very low	29.2	Very low	227 Å²	227	153.7 Å²	153.7	86%	0.86	79%	0.788	S	S	*	*			trans	-87	117.2	-168.9	-135.5	68.4	0	0	0	109.4
33	T	29.4	Very low	29.8	Very low	104 Å²	104	144.1 Å²	144.1	64%	0.638	76%	0.757	S	S	*	*			trans	-136.9	126.4	161.1	47.3	0	0	0	0	108.4	N35	T33-N35 VanDerWaalsContact C-N 3.31Å; T33-N35 PolarHBondContact O-N 3.24Å
34	P	25.1	Very low	30.3	Very low	117 Å²	117	140.2 Å²	140.2	76%	0.76	75%	0.753	S	S	*	*			trans	-81.9	83.3	178.7	33.3	-29.6	0	0	0	107.8
35	N	27.6	Very low	30.8	Very low	132 Å²	132	136.5 Å²	136.5	71%	0.706	72%	0.724	S	S	*	*			trans	-110.6	114.4	169.1	-88.7	-34	0	0	0	108.8	T33 K37	T33-N35 VanDerWaalsContact C-N 3.31Å; T33-N35 PolarHBondContact O-N 3.24Å; N35-K37 VanDerWaalsContact C-N 3.26Å; N35-K37 PolarHBondContact O-N 3.35Å
36	I	28.6	Very low	32.1	Very low	173 Å²	173	129.6 Å²	129.6	89%	0.887	70%	0.695	S	S	*	*			trans	-53.9	88.4	176.2	-60.5	168.3	0	0	0	108.2	A38	I36-A38 VanDerWaalsContact C-N 3.34Å; I36-A38 PolarHBondContact O-N 2.88Å; I36-A38 VanDerWaalsContact O-N 3.1Å
37	K	25.1	Very low	33.5	Very low	191 Å²	191	124.6 Å²	124.6	83%	0.83	67%	0.667	S	S	*	*			trans	-76.6	93.3	165.9	-76	-173.9	179.2	179.5	0	106.2	N35 K39	N35-K37 VanDerWaalsContact C-N 3.26Å; N35-K37 PolarHBondContact O-N 3.35Å; K37-K39 PolarHBondContact O-N 3.22Å
38	A	27.9	Very low	34.7	Very low	86 Å²	86	118.7 Å²	118.7	71%	0.711	64%	0.636	S	S	*	*			trans	-49	113	155.6	0	0	0	0	0	106.5	I36 Q40	I36-A38 VanDerWaalsContact C-N 3.34Å; I36-A38 PolarHBondContact O-N 2.88Å; I36-A38 VanDerWaalsContact O-N 3.1Å; A38-Q40 VanDerWaalsContact C-N 3.33Å; A38-Q40 PolarHBondContact O-N 2.93Å
39	K	27.3	Very low	35.7	Very low	206 Å²	206	111.2 Å²	111.2	90%	0.896	61%	0.607	S	S	*	*			trans	-55.1	103.5	171	-85.3	179.9	174.1	176.1	0	106.2	K37 A41	K37-K39 PolarHBondContact O-N 3.22Å; K39-A41 VanDerWaalsContact C-N 3.3Å; K39-A41 PolarHBondContact O-N 3.48Å
40	Q	31.2	Very low	36.8	Very low	157 Å²	157	108.4 Å²	108.4	73%	0.734	60%	0.6	S	S	*	*			trans	-57.7	101.4	163.7	-95.3	173.8	-33.9	0	0	105.9	A38 N42	A38-Q40 VanDerWaalsContact C-N 3.33Å; A38-Q40 PolarHBondContact O-N 2.93Å; Q40-N42 PolarHBondContact O-N 3.26Å; Q40-N42 VanDerWaalsContact O-N 3.14Å
41	A	34.9	Very low	38	Very low	78 Å²	78	108.8 Å²	108.8	65%	0.645	60%	0.597	S	S	*	*			trans	-60.5	116.5	163.7	0	0	0	0	0	105.7	K39 T43	K39-A41 VanDerWaalsContact C-N 3.3Å; K39-A41 PolarHBondContact O-N 3.48Å; A41-T43 PolarHBondContact O-N 2.91Å
42	N	31.4	Very low	39.1	Very low	164 Å²	164	112.5 Å²	112.5	88%	0.877	60%	0.602	S	S	*	*			trans	-61.8	84.8	168	-96.4	-16.1	0	0	0	107.8	Q40 C44	Q40-N42 PolarHBondContact O-N 3.26Å; Q40-N42 VanDerWaalsContact O-N 3.14Å; N42-C44 VanDerWaalsContact C-N 3.25Å; N42-C44 PolarHBondContact O-N 3.02Å
43	T	35.8	Very low	40.8	Very low	43 Å²	43	104.6 Å²	104.6	26%	0.264	59%	0.591	S	S	.	*			trans	-73	87.3	169.2	51	0	0	0	0	107	A41 W45	A41-T43 PolarHBondContact O-N 2.91Å; T43-W45 PolarHBondContact O-N 3.27Å; T43-W45 VanDerWaalsContact O-N 3.1Å
44	C	41.3	Very low	42.8	Very low	113 Å²	113	101 Å²	101	76%	0.764	57%	0.57	S	S	*	*			trans	-62.1	111.1	170	-173.7	0	0	0	0	107.4	N42 V46	N42-C44 VanDerWaalsContact C-N 3.25Å; N42-C44 PolarHBondContact O-N 3.02Å; C44-V46 WeakPolarHBondContact O-CG2 3.37Å; C44-V46 PolarHBondContact O-N 3.47Å
45	W	47.6	Very low	45.4	Very low	49 Å²	49	97.4 Å²	97.4	19%	0.186	54%	0.544	C	S	.	.			trans	-58.9	134.1	177.3	-107.5	76.1	0	0	0	110.5	T43 L55 V63 D106 L108	T43-W45 PolarHBondContact O-N 3.27Å; T43-W45 VanDerWaalsContact O-N 3.1Å; W45-L55 HydrophobicContact CE3-CD1 4.39Å; W45-L55 HydrophobicContact CZ3-CD1 4.24Å; W45-V63 HydrophobicContact CD2-CG1 3.75Å; W45-V63 HydrophobicContact CE3-CG1 4.33Å; W45-V63 HydrophobicContact CG-CG1 4.25Å; W45-V63 HydrophobicContact CH2-CG1 4.04Å; W45-V63 HydrophobicContact CZ2-CG1 3.4Å; W45-V63 VanDerWaalsContact CZ2-CG1 3.4Å; W45-V63 HydrophobicContact CZ3-CG1 4.47Å; W45-D106 VanDerWaalsContact CE2-CG 3.47Å; W45-D106 HydrophobicContact CZ2-CB 4.06Å; W45-D106 VanDerWaalsContact CZ2-CG 3.5Å; W45-D106 WeakPolarHBondContact CZ2-OD1 3.29Å; W45-D106 PolarHBondContact NE1-OD1 3.04Å; W45-D106 PolarHBondContact NE1-OD2 3.29Å; W45-L108 HydrophobicContact CD2-CD1 3.99Å; W45-L108 HydrophobicContact CE3-CD1 3.92Å; W45-L108 HydrophobicContact CH2-CD1 4.02Å; W45-L108 HydrophobicContact CH2-CG 3.91Å; W45-L108 HydrophobicContact CZ2-CB 4.09Å; W45-L108 HydrophobicContact CZ2-CD1 4.05Å; W45-L108 HydrophobicContact CZ2-CG 3.83Å; W45-L108 HydrophobicContact CZ3-CD1 3.93Å; W45-L108 HydrophobicContact CZ3-CG 4.32Å
46	V	55.3	Low	48.1	Very low	29 Å²	29	93.3 Å²	93.3	18%	0.176	52%	0.522	C	S	.	.			trans	-112.9	109.2	179.3	-170.4	0	0	0	0	107.3	C44 L48 K191	C44-V46 WeakPolarHBondContact O-CG2 3.37Å; C44-V46 PolarHBondContact O-N 3.47Å; V46-L48 HydrophobicContact CG1-CD2 3.96Å; V46-L48 PolarHBondContact O-N 3.45Å; V46-K191 HydrophobicContact CB-CD 3.95Å; V46-K191 HydrophobicContact CG1-CD 3.52Å; V46-K191 HydrophobicContact CG2-CD 3.7Å
47	Q	60	Low	50.8	Low	39 Å²	39	86.7 Å²	86.7	18%	0.182	49%	0.491	C	S	.	.			trans	-76.6	109.6	167.9	-174.8	177.9	-22.5	0	0	108.9	S49 G50 H51 S54 L55	Q47-S49 WeakPolarHBondContact CG-O 3.36Å; Q47-S49 PolarHBondContact NE2-O 3.48Å; Q47-G50 PolarHBondContact NE2-O 3.34Å; Q47-H51 VanDerWaalsContact NE2-C 3.35Å; Q47-H51 PolarHBondContact NE2-O 3.4Å; Q47-H51 PolarHBondContact OE1-O 3.33Å; Q47-S54 PolarHBondContact NE2-OG 2.87Å; Q47-S54 PolarHBondContact OE1-OG 3.45Å; Q47-L55 HydrophobicContact CB-CD1 4.48Å; Q47-L55 HydrophobicContact CG-CD1 4.2Å
48	L	57.5	Low	53.3	Low	8 Å²	8	81.3 Å²	81.3	4%	0.042	47%	0.471	C	S	.	.			trans	-76.7	-42.1	-179.1	-69.2	-169.2	0	0	0	112.8	V46 I116 D118 A189 K191 T197 K199 L256	V46-L48 HydrophobicContact CG1-CD2 3.96Å; V46-L48 PolarHBondContact O-N 3.45Å; L48-I116 HydrophobicContact CD1-CB 3.71Å; L48-I116 HydrophobicContact CD1-CG2 3.27Å; L48-I116 HydrophobicContact CG-CB 4.41Å; L48-I116 HydrophobicContact CG-CG2 4.05Å; L48-D118 HydrophobicContact CB-CB 4.47Å; L48-D118 HydrophobicContact CD1-CB 4.17Å; L48-A189 HydrophobicContact CB-CB 3.8Å; L48-A189 HydrophobicContact CD1-CB 4.41Å; L48-K191 HydrophobicContact CD2-CB 3.55Å; L48-T197 HydrophobicContact CD2-CG2 3.76Å; L48-K199 WeakPolarHBondContact O-CE 3.33Å; L48-K199 PolarHBondContact O-NZ 3.01Å; L48-L256 HydrophobicContact CD1-CD1 4.44Å
49	S	53.2	Low	55.8	Low	25 Å²	25	78.5 Å²	78.5	18%	0.175	45%	0.45	C	S	.	.	S	Bend	trans	-132.2	162.4	-175.7	61.8	0	0	0	0	110.8	Q47 D118	Q47-S49 WeakPolarHBondContact CG-O 3.36Å; Q47-S49 PolarHBondContact NE2-O 3.48Å; S49-D118 WeakPolarHBondContact CB-OD2 3.37Å; S49-D118 PolarHBondContact OG-OD2 3.21Å
50	G	54.1	Low	58.7	Low	62 Å²	62	75.9 Å²	75.9	64%	0.639	44%	0.439	S	S	*	.	S	Bend	trans	82.2	-179.3	-173.9	0	0	0	0	0	115.2	Q47 Q52	Q47-G50 PolarHBondContact NE2-O 3.34Å; G50-Q52 PolarHBondContact O-N 2.98Å
51	H	51.2	Low	61.5	Low	169 Å²	169	69.1 Å²	69.1	78%	0.782	41%	0.411	S	S	*	.	S	Bend	trans	-70.2	127.5	-177	-69.3	-69.4	0	0	0	112	Q47 G53 S54	Q47-H51 VanDerWaalsContact NE2-C 3.35Å; Q47-H51 PolarHBondContact NE2-O 3.4Å; Q47-H51 PolarHBondContact OE1-O 3.33Å; H51-G53 PolarHBondContact O-N 2.79Å; H51-S54 VanDerWaalsContact O-CB 3.32Å; H51-S54 WeakPolarHBondContact O-CB 3.49Å; H51-S54 PolarHBondContact O-N 3.2Å; H51-S54 VanDerWaalsContact O-N 3.17Å; H51-S54 PolarHBondContact O-OG 3.45Å
52	Q	52.9	Low	64.3	Low	191 Å²	191	65.9 Å²	65.9	89%	0.893	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	134.7	176.5	-75.7	-175.8	-18.2	0	0	111.4	G50	G50-Q52 PolarHBondContact O-N 2.98Å
53	G	59.2	Low	67.3	Low	61 Å²	61	58.3 Å²	58.3	63%	0.629	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.4	4.4	179.7	0	0	0	0	0	114.7	H51 L55	H51-G53 PolarHBondContact O-N 2.79Å; G53-L55 VanDerWaalsContact C-N 3.27Å; G53-L55 PolarHBondContact O-N 3.15Å
54	S	72	Confident	70.1	Confident	27 Å²	27	56.9 Å²	56.9	19%	0.189	33%	0.334	C	S	.	.	S	Bend	trans	-72.7	-20.7	176.7	74.1	0	0	0	0	113.8	Q47 H51 K65 R66	Q47-S54 PolarHBondContact NE2-OG 2.87Å; Q47-S54 PolarHBondContact OE1-OG 3.45Å; H51-S54 VanDerWaalsContact O-CB 3.32Å; H51-S54 WeakPolarHBondContact O-CB 3.49Å; H51-S54 PolarHBondContact O-N 3.2Å; H51-S54 VanDerWaalsContact O-N 3.17Å; H51-S54 PolarHBondContact O-OG 3.45Å; S54-K65 WeakPolarHBondContact O-CA 3.32Å; S54-R66 PolarHBondContact O-N 3.06Å; S54-R66 VanDerWaalsContact O-N 3.14Å
55	L	80.3	Confident	72.5	Confident	43 Å²	43	52.9 Å²	52.9	23%	0.225	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	129.1	179.4	-72.6	168.6	0	0	0	111.4	W45 Q47 G53 V63 L64 K65 M104	W45-L55 HydrophobicContact CE3-CD1 4.39Å; W45-L55 HydrophobicContact CZ3-CD1 4.24Å; Q47-L55 HydrophobicContact CB-CD1 4.48Å; Q47-L55 HydrophobicContact CG-CD1 4.2Å; G53-L55 VanDerWaalsContact C-N 3.27Å; G53-L55 PolarHBondContact O-N 3.15Å; L55-V63 HydrophobicContact CD2-CB 4.46Å; L55-V63 HydrophobicContact CD2-CG2 4.33Å; L55-L64 CarbonylContact C-O 3.45Å; L55-L64 VanDerWaalsContact CA-O 3.28Å; L55-L64 WeakPolarHBondContact CA-O 3.39Å; L55-K65 HydrophobicContact CD2-CB 3.64Å; L55-K65 HydrophobicContact CD2-CD 4.26Å; L55-K65 HydrophobicContact CD2-CG 3.96Å; L55-M104 HydrophobicContact CD2-CE 4.07Å
56	I	83.2	Confident	74.7	Confident	46 Å²	46	58.1 Å²	58.1	24%	0.236	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	115.2	176.1	-48.7	169.8	0	0	0	108.5	M14 V63 L64 L96 Y101	M14-I56 HydrophobicContact CE-CG2 3.55Å; I56-V63 CarbonylContact O-C 3.47Å; I56-V63 WeakPolarHBondContact O-CA 3.49Å; I56-L64 HydrophobicContact CB-CB 4.19Å; I56-L64 PolarHBondContact N-O 3.29Å; I56-L64 PolarHBondContact O-N 2.89Å; I56-L96 HydrophobicContact CD1-CD2 4.35Å; I56-Y101 HydrophobicContact CD1-CD1 4.49Å; I56-Y101 HydrophobicContact CD1-CE1 3.71Å
57	S	84.4	Confident	76.5	Confident	34 Å²	34	59.4 Å²	59.4	24%	0.238	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	144	173.9	-178.7	0	0	0	0	111.3	G59 D106	S57-G59 PolarHBondContact OG-N 3.13Å; S57-G59 VanDerWaalsContact OG-N 3.14Å; S57-D106 PolarHBondContact OG-OD2 3.04Å
58	N	78.7	Confident	78.1	Confident	78 Å²	78	59.5 Å²	59.5	42%	0.417	33%	0.33	S	S	.	.			trans	-96.7	0.8	171.9	68.7	0.6	0	0	0	113.3	K60 S62	N58-K60 PolarHBondContact O-N 3.18Å; N58-K60 VanDerWaalsContact O-N 3.14Å; N58-K60 WeakPolarHBondContact OD1-CA 3.31Å; N58-K60 PolarHBondContact OD1-N 2.91Å; N58-S62 PolarHBondContact N-O 2.83Å; N58-S62 PolarHBondContact OD1-N 3.18Å; N58-S62 PolarHBondContact OD1-O 2.81Å
59	G	79.9	Confident	79.9	Confident	26 Å²	26	64.5 Å²	64.5	27%	0.268	35%	0.354	S	S	.	.	S	Bend	trans	62.6	15.6	-175.7	0	0	0	0	0	114.4	S57 Y109	S57-G59 PolarHBondContact OG-N 3.13Å; S57-G59 VanDerWaalsContact OG-N 3.14Å; G59-Y109 WeakPolarHBondContact O-CE2 3.23Å
60	K	87.6	Confident	81.8	Confident	151 Å²	151	65.5 Å²	65.5	66%	0.657	36%	0.36	S	S	*	.	S	Bend	trans	-122.2	34.2	-179	-61.9	-179.5	-179.4	-178.6	0	111.2	N58	N58-K60 PolarHBondContact O-N 3.18Å; N58-K60 VanDerWaalsContact O-N 3.14Å; N58-K60 WeakPolarHBondContact OD1-CA 3.31Å; N58-K60 PolarHBondContact OD1-N 2.91Å
61	G	91.9	Very high	83.7	Confident	15 Å²	15	62.8 Å²	62.8	16%	0.155	33%	0.331	C	S	.	.	S	Bend	trans	79	13.8	178	0	0	0	0	0	115.4	D106 Y109	G61-D106 WeakPolarHBondContact O-CB 3.37Å; G61-D106 PolarHBondContact O-N 2.98Å; G61-Y109 VanDerWaalsContact N-CD2 3.32Å
62	S	93.7	Very high	85.8	Confident	11 Å²	11	54.9 Å²	54.9	8%	0.077	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	145.4	178	-54	0	0	0	0	112.5	N58 Q91 K103 M104	N58-S62 PolarHBondContact N-O 2.83Å; N58-S62 PolarHBondContact OD1-N 3.18Å; N58-S62 PolarHBondContact OD1-O 2.81Å; S62-Q91 VanDerWaalsContact CB-OE1 3.27Å; S62-Q91 PolarHBondContact OG-OE1 3.36Å; S62-K103 VanDerWaalsContact OG-CE 3.32Å; S62-K103 WeakPolarHBondContact OG-CE 3.18Å; S62-M104 WeakPolarHBondContact CA-O 3.28Å
63	V	93.9	Very high	87.9	Confident	4 Å²	4	50.7 Å²	50.7	2%	0.024	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	148.4	167.1	-63.8	0	0	0	0	111.2	W45 L55 I56 K103 M104 D106	W45-V63 HydrophobicContact CD2-CG1 3.75Å; W45-V63 HydrophobicContact CE3-CG1 4.33Å; W45-V63 HydrophobicContact CG-CG1 4.25Å; W45-V63 HydrophobicContact CH2-CG1 4.04Å; W45-V63 HydrophobicContact CZ2-CG1 3.4Å; W45-V63 VanDerWaalsContact CZ2-CG1 3.4Å; W45-V63 HydrophobicContact CZ3-CG1 4.47Å; L55-V63 HydrophobicContact CD2-CB 4.46Å; L55-V63 HydrophobicContact CD2-CG2 4.33Å; I56-V63 CarbonylContact O-C 3.47Å; I56-V63 WeakPolarHBondContact O-CA 3.49Å; V63-K103 WeakPolarHBondContact O-CA 3.36Å; V63-M104 HydrophobicContact CG2-CE 4.14Å; V63-M104 HydrophobicContact CG2-CG 3.65Å; V63-M104 PolarHBondContact N-O 2.97Å; V63-M104 PolarHBondContact O-N 3.4Å; V63-D106 HydrophobicContact CG1-CB 4.07Å
64	L	93.5	Very high	89.7	Confident	13 Å²	13	48 Å²	48	7%	0.068	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	121.6	170.2	-58.9	176.9	0	0	0	108.1	L55 I56 K94 Y101 V102 K103	L55-L64 CarbonylContact C-O 3.45Å; L55-L64 VanDerWaalsContact CA-O 3.28Å; L55-L64 WeakPolarHBondContact CA-O 3.39Å; I56-L64 HydrophobicContact CB-CB 4.19Å; I56-L64 PolarHBondContact N-O 3.29Å; I56-L64 PolarHBondContact O-N 2.89Å; L64-K94 HydrophobicContact CD1-CD 4.11Å; L64-K94 HydrophobicContact CD2-CB 3.98Å; L64-K94 HydrophobicContact CD2-CD 4.14Å; L64-Y101 HydrophobicContact CB-CD1 3.84Å; L64-Y101 HydrophobicContact CB-CG 4.06Å; L64-V102 CarbonylContact C-O 3.51Å; L64-V102 WeakPolarHBondContact CA-O 3.3Å; L64-K103 HydrophobicContact CD2-CB 3.8Å; L64-K103 HydrophobicContact CD2-CG 3.88Å
65	K	92.8	Very high	90.8	Very high	29 Å²	29	46.8 Å²	46.8	13%	0.126	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	139.2	168.7	-172.9	171.5	176.3	-176.3	0	109	S54 L55 Y67 E71 Y101 V102 M104 D271	S54-K65 WeakPolarHBondContact O-CA 3.32Å; L55-K65 HydrophobicContact CD2-CB 3.64Å; L55-K65 HydrophobicContact CD2-CD 4.26Å; L55-K65 HydrophobicContact CD2-CG 3.96Å; K65-Y67 PolarHBondContact O-N 3.17Å; K65-E71 WeakPolarHBondContact CD-OE2 3.46Å; K65-E71 WeakPolarHBondContact CE-OE2 3.4Å; K65-E71 IonicContact NZ-OE1 3.15Å; K65-E71 PolarHBondContact NZ-OE1 3.48Å; K65-E71 IonicContact NZ-OE2 2.9Å; K65-E71 PolarHBondContact NZ-OE2 3.4Å; K65-Y101 CarbonylContact O-C 3.53Å; K65-Y101 VanDerWaalsContact O-CA 3.24Å; K65-Y101 WeakPolarHBondContact O-CA 3.38Å; K65-Y101 WeakPolarHBondContact O-CB 3.44Å; K65-V102 PolarHBondContact N-O 2.98Å; K65-V102 PolarHBondContact O-N 3.05Å; K65-M104 HydrophobicContact CB-CE 3.45Å; K65-M104 VanDerWaalsContact CB-CE 3.45Å; K65-M104 HydrophobicContact CD-CE 3.64Å; K65-M104 HydrophobicContact CG-CE 4.17Å; K65-D271 IonicContact NZ-OD1 3.96Å; K65-D271 PolarHBondContact NZ-OD1 3.22Å
66	R	92.6	Very high	91.6	Very high	159 Å²	159	49.2 Å²	49.2	60%	0.6	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-50	132.3	176	-172.7	175.9	-179.5	-169.7	-2.3	110	S54 C68 E99	S54-R66 PolarHBondContact O-N 3.06Å; S54-R66 VanDerWaalsContact O-N 3.14Å; R66-C68 PolarHBondContact O-N 2.83Å; R66-E99 IonicContact NE-OE2 3.52Å
67	Y	93.8	Very high	92.3	Very high	56 Å²	56	51.6 Å²	51.6	22%	0.22	26%	0.261	C	S	.	.			trans	-62.1	132	-171.4	179.6	-90.8	0	0	0	112	K65 Q69 A72 E93 R100 V102	K65-Y67 PolarHBondContact O-N 3.17Å; Y67-Q69 HydrophobicContact CE1-CB 4Å; Y67-A72 HydrophobicContact CD2-CB 4.39Å; Y67-A72 HydrophobicContact CE2-CB 3.74Å; Y67-E93 HydrophobicContact CE2-CG 4.46Å; Y67-E93 WeakPolarHBondContact CE2-OE1 3.44Å; Y67-R100 VanDerWaalsContact CB-C 3.48Å; Y67-R100 WeakPolarHBondContact CB-O 3.38Å; Y67-R100 HydrophobicContact CD1-CG 4.47Å; Y67-R100 HydrophobicContact CD2-CG 3.92Å; Y67-R100 VanDerWaalsContact CE2-NH2 3.34Å; Y67-R100 HydrophobicContact CG-CB 4.26Å; Y67-R100 HydrophobicContact CG-CG 3.83Å; Y67-R100 VanDerWaalsContact CZ-NH2 3.31Å; Y67-R100 PolarHBondContact N-O 3.38Å; Y67-R100 PolarHBondContact OH-NH1 3.46Å; Y67-R100 PolarHBondContact OH-NH2 3.35Å; Y67-R100 VanDerWaalsContact OH-NH2 3.11Å; Y67-V102 HydrophobicContact CD2-CG2 3.78Å; Y67-V102 HydrophobicContact CE2-CG2 4.37Å
68	C	93.3	Very high	92.9	Very high	41 Å²	41	50 Å²	50	28%	0.277	25%	0.25	S	S	.	.			trans	-133.6	125	169.6	177.8	0	0	0	0	106.9	R66 S70 E71 A72	R66-C68 PolarHBondContact O-N 2.83Å; C68-S70 PolarHBondContact O-N 3.29Å; C68-S70 PolarHBondContact SG-OG 2.53Å; C68-E71 HydrophobicContact CB-CB 4.01Å; C68-E71 PolarHBondContact O-N 2.97Å; C68-A72 WeakPolarHBondContact O-CB 3.42Å; C68-A72 PolarHBondContact O-N 3.19Å
69	Q	95.1	Very high	93.8	Very high	114 Å²	114	48.5 Å²	48.5	53%	0.533	24%	0.241	S	C	.	.	H	α-helix	trans	-62.1	-45.1	-173.1	179.5	174.1	-10.6	0	0	112.4	Y67 E71 A72 Q73	Y67-Q69 HydrophobicContact CE1-CB 4Å; Q69-E71 PolarHBondContact O-N 3.16Å; Q69-A72 PolarHBondContact O-N 3.47Å; Q69-Q73 HydrophobicContact CG-CG 4.5Å; Q69-Q73 WeakPolarHBondContact O-CB 3.17Å; Q69-Q73 WeakPolarHBondContact O-CG 3.46Å; Q69-Q73 PolarHBondContact O-N 3.26Å
70	S	93.5	Very high	94.7	Very high	45 Å²	45	54.7 Å²	54.7	32%	0.315	27%	0.267	S	S	.	.	H	α-helix	trans	-62	-44.1	179	51.1	0	0	0	0	111.5	C68 Q73 C74 A273	C68-S70 PolarHBondContact O-N 3.29Å; C68-S70 PolarHBondContact SG-OG 2.53Å; S70-Q73 PolarHBondContact O-N 3.05Å; S70-C74 VanDerWaalsContact O-CB 3.24Å; S70-C74 WeakPolarHBondContact O-CB 3.25Å; S70-C74 PolarHBondContact O-N 2.86Å; S70-A273 WeakPolarHBondContact CB-O 3.31Å; S70-A273 PolarHBondContact OG-O 3.33Å
71	E	94.5	Very high	95.2	Very high	5 Å²	5	48.4 Å²	48.4	2%	0.023	24%	0.241	C	C	.	.	H	α-helix	trans	-65.8	-42.1	178.2	-177.8	161.9	-135.9	0	0	112.6	K65 C68 Q69 C74 L75 F272 A273	K65-E71 WeakPolarHBondContact CD-OE2 3.46Å; K65-E71 WeakPolarHBondContact CE-OE2 3.4Å; K65-E71 IonicContact NZ-OE1 3.15Å; K65-E71 PolarHBondContact NZ-OE1 3.48Å; K65-E71 IonicContact NZ-OE2 2.9Å; K65-E71 PolarHBondContact NZ-OE2 3.4Å; C68-E71 HydrophobicContact CB-CB 4.01Å; C68-E71 PolarHBondContact O-N 2.97Å; Q69-E71 PolarHBondContact O-N 3.16Å; E71-C74 PolarHBondContact O-N 3.28Å; E71-L75 HydrophobicContact CG-CD1 4.04Å; E71-L75 HydrophobicContact CG-CG 4.46Å; E71-L75 WeakPolarHBondContact O-CB 3.48Å; E71-L75 WeakPolarHBondContact O-CG 3.31Å; E71-L75 PolarHBondContact O-N 3.1Å; E71-F272 HydrophobicContact CG-CB 4.27Å; E71-F272 PolarHBondContact OE1-N 2.92Å; E71-A273 HydrophobicContact CB-CB 4.3Å
72	A	95.8	Very high	95.4	Very high	4 Å²	4	51 Å²	51	3%	0.033	25%	0.25	C	C	.	.	H	α-helix	trans	-62.4	-45.2	177.4	0	0	0	0	0	111.8	Y67 C68 Q69 L76 V102	Y67-A72 HydrophobicContact CD2-CB 4.39Å; Y67-A72 HydrophobicContact CE2-CB 3.74Å; C68-A72 WeakPolarHBondContact O-CB 3.42Å; C68-A72 PolarHBondContact O-N 3.19Å; Q69-A72 PolarHBondContact O-N 3.47Å; A72-L76 WeakPolarHBondContact O-CB 3.15Å; A72-L76 PolarHBondContact O-N 3.11Å; A72-V102 HydrophobicContact CB-CG2 3.72Å
73	Q	96.2	Very high	95.6	Very high	102 Å²	102	50.4 Å²	50.4	48%	0.477	25%	0.246	S	C	.	.	H	α-helix	trans	-63.9	-45.9	177.3	-73.1	177.4	-13.4	0	0	111.6	Q69 S70 L76 Q77	Q69-Q73 HydrophobicContact CG-CG 4.5Å; Q69-Q73 WeakPolarHBondContact O-CB 3.17Å; Q69-Q73 WeakPolarHBondContact O-CG 3.46Å; Q69-Q73 PolarHBondContact O-N 3.26Å; S70-Q73 PolarHBondContact O-N 3.05Å; Q73-L76 PolarHBondContact O-N 3.39Å; Q73-Q77 WeakPolarHBondContact O-CG 3.37Å; Q73-Q77 PolarHBondContact O-N 2.99Å
74	C	96.8	Very high	95.8	Very high	6 Å²	6	57.1 Å²	57.1	4%	0.041	27%	0.271	C	S	.	.	H	α-helix	trans	-61.5	-48.3	177.9	-176.4	0	0	0	0	111.4	S70 E71 L76 Q77 L78 F244 F272	S70-C74 VanDerWaalsContact O-CB 3.24Å; S70-C74 WeakPolarHBondContact O-CB 3.25Å; S70-C74 PolarHBondContact O-N 2.86Å; E71-C74 PolarHBondContact O-N 3.28Å; C74-L76 VanDerWaalsContact C-N 3.28Å; C74-L76 PolarHBondContact O-N 3.42Å; C74-Q77 PolarHBondContact O-N 3.33Å; C74-L78 WeakPolarHBondContact O-CB 3.49Å; C74-L78 WeakPolarHBondContact O-CD1 3.29Å; C74-L78 VanDerWaalsContact O-CG 3.29Å; C74-L78 WeakPolarHBondContact O-CG 3.33Å; C74-L78 PolarHBondContact O-N 2.75Å; C74-L78 VanDerWaalsContact SG-CD1 3.57Å; C74-F244 WeakPolarHBondContact SG-CZ 3.4Å; C74-F272 HydrophobicContact CB-CB 3.85Å; C74-F272 VanDerWaalsContact SG-CB 3.55Å
75	L	96.4	Very high	96	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-57.8	-40.3	176.3	-82.6	171.6	0	0	0	112.5	E71 Q79 Y90 V102 M104 F272	E71-L75 HydrophobicContact CG-CD1 4.04Å; E71-L75 HydrophobicContact CG-CG 4.46Å; E71-L75 WeakPolarHBondContact O-CB 3.48Å; E71-L75 WeakPolarHBondContact O-CG 3.31Å; E71-L75 PolarHBondContact O-N 3.1Å; L75-Q79 VanDerWaalsContact O-CG 3.28Å; L75-Q79 WeakPolarHBondContact O-CG 3.4Å; L75-Q79 PolarHBondContact O-N 3.11Å; L75-Q79 PolarHBondContact O-NE2 3.17Å; L75-Y90 HydrophobicContact CB-CD2 3.98Å; L75-Y90 HydrophobicContact CB-CG 4.5Å; L75-Y90 HydrophobicContact CD1-CD2 4.38Å; L75-V102 HydrophobicContact CD1-CG1 4Å; L75-M104 HydrophobicContact CD1-SD 4.09Å; L75-F272 HydrophobicContact CD2-CD2 3.63Å; L75-F272 HydrophobicContact CD2-CE2 3.47Å; L75-F272 VanDerWaalsContact CD2-CE2 3.47Å; L75-F272 HydrophobicContact CG-CD2 3.83Å; L75-F272 HydrophobicContact CG-CE2 4.21Å
76	L	96.7	Very high	96.3	Very high	95 Å²	95	58.5 Å²	58.5	50%	0.497	29%	0.285	S	S	.	.	H	α-helix	trans	-64.9	-46.8	177.2	-176.6	66	0	0	0	111.6	A72 Q73 C74 L78 Q79 Y90	A72-L76 WeakPolarHBondContact O-CB 3.15Å; A72-L76 PolarHBondContact O-N 3.11Å; Q73-L76 PolarHBondContact O-N 3.39Å; C74-L76 VanDerWaalsContact C-N 3.28Å; C74-L76 PolarHBondContact O-N 3.42Å; L76-L78 VanDerWaalsContact C-N 3.35Å; L76-Q79 WeakPolarHBondContact O-CB 3.29Å; L76-Q79 PolarHBondContact O-N 3.4Å; L76-Y90 HydrophobicContact CD1-CD1 4.06Å; L76-Y90 HydrophobicContact CD1-CE1 4.16Å
77	Q	97.2	Very high	96.5	Very high	95 Å²	95	51 Å²	51	44%	0.444	26%	0.257	S	S	.	.	H	α-helix	trans	-62.9	-41.5	176.4	-72.2	175.4	-45.4	0	0	111.7	Q73 C74 Q79 L80 D81 F244	Q73-Q77 WeakPolarHBondContact O-CG 3.37Å; Q73-Q77 PolarHBondContact O-N 2.99Å; C74-Q77 PolarHBondContact O-N 3.33Å; Q77-Q79 PolarHBondContact O-N 3.06Å; Q77-L80 WeakPolarHBondContact O-CB 3.45Å; Q77-L80 PolarHBondContact O-N 3.2Å; Q77-D81 PolarHBondContact O-N 2.8Å; Q77-F244 HydrophobicContact CB-CD2 3.98Å; Q77-F244 HydrophobicContact CB-CE2 3.66Å
78	L	97.7	Very high	96.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62	-24.1	176	-75.7	162.4	0	0	0	113.1	C74 L76 L80 D81 L83 R84 V87 F244 F272	C74-L78 WeakPolarHBondContact O-CB 3.49Å; C74-L78 WeakPolarHBondContact O-CD1 3.29Å; C74-L78 VanDerWaalsContact O-CG 3.29Å; C74-L78 WeakPolarHBondContact O-CG 3.33Å; C74-L78 PolarHBondContact O-N 2.75Å; C74-L78 VanDerWaalsContact SG-CD1 3.57Å; L76-L78 VanDerWaalsContact C-N 3.35Å; L78-L80 PolarHBondContact O-N 3.41Å; L78-D81 PolarHBondContact O-N 3.06Å; L78-L83 HydrophobicContact CD2-CB 3.86Å; L78-L83 HydrophobicContact CD2-CD1 3.83Å; L78-R84 WeakPolarHBondContact O-CA 3.44Å; L78-R84 WeakPolarHBondContact O-CB 3.37Å; L78-R84 PolarHBondContact O-N 2.81Å; L78-V87 HydrophobicContact CB-CG2 4.12Å; L78-V87 HydrophobicContact CD1-CG1 4.16Å; L78-V87 HydrophobicContact CD2-CG1 4.39Å; L78-F244 HydrophobicContact CD1-CE1 4.43Å; L78-F244 HydrophobicContact CD2-CD1 3.54Å; L78-F244 HydrophobicContact CD2-CE1 3.67Å; L78-F244 HydrophobicContact CD2-CG 4.13Å; L78-F244 HydrophobicContact CD2-CZ 4.35Å; L78-F244 HydrophobicContact CG-CD1 4.2Å; L78-F244 HydrophobicContact CG-CE1 3.94Å; L78-F244 HydrophobicContact CG-CZ 4.13Å; L78-F272 HydrophobicContact CD1-CD1 3.8Å; L78-F272 HydrophobicContact CD1-CD2 4.33Å; L78-F272 HydrophobicContact CD1-CE1 3.65Å; L78-F272 HydrophobicContact CD1-CE2 4.21Å; L78-F272 HydrophobicContact CD1-CG 4.13Å; L78-F272 HydrophobicContact CD1-CZ 3.86Å
79	Q	97.5	Very high	96.8	Very high	47 Å²	47	52.7 Å²	52.7	22%	0.22	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-24.5	172.8	-57.6	-45.6	-73.3	0	0	112.7	L75 L76 Q77 P88	L75-Q79 VanDerWaalsContact O-CG 3.28Å; L75-Q79 WeakPolarHBondContact O-CG 3.4Å; L75-Q79 PolarHBondContact O-N 3.11Å; L75-Q79 PolarHBondContact O-NE2 3.17Å; L76-Q79 WeakPolarHBondContact O-CB 3.29Å; L76-Q79 PolarHBondContact O-N 3.4Å; Q77-Q79 PolarHBondContact O-N 3.06Å; Q79-P88 PolarHBondContact NE2-O 2.83Å
80	L	97.5	Very high	96.9	Very high	157 Å²	157	49.2 Å²	49.2	82%	0.822	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-15.2	178.4	-56.6	177.4	0	0	0	112.3	Q77 L78	Q77-L80 WeakPolarHBondContact O-CB 3.45Å; Q77-L80 PolarHBondContact O-N 3.2Å; L78-L80 PolarHBondContact O-N 3.41Å
81	D	98.1	Very high	97	Very high	19 Å²	19	50.1 Å²	50.1	10%	0.102	24%	0.243	C	C	.	.	S	Bend	trans	-85.2	167	179.2	-169.8	71.9	0	0	0	112.4	Q77 L78 L83 R84 S242 F244	Q77-D81 PolarHBondContact O-N 2.8Å; L78-D81 PolarHBondContact O-N 3.06Å; D81-L83 PolarHBondContact O-N 2.88Å; D81-L83 VanDerWaalsContact OD2-CB 3.23Å; D81-L83 WeakPolarHBondContact OD2-CB 3.4Å; D81-L83 VanDerWaalsContact OD2-CG 3.25Å; D81-L83 WeakPolarHBondContact OD2-CG 3.38Å; D81-L83 PolarHBondContact OD2-N 2.8Å; D81-R84 WeakPolarHBondContact O-CB 3.34Å; D81-R84 WeakPolarHBondContact O-CG 3.39Å; D81-R84 PolarHBondContact O-N 3.3Å; D81-R84 PolarHBondContact O-NH1 3.32Å; D81-S242 PolarHBondContact OD1-OG 2.8Å; D81-S242 VanDerWaalsContact OD1-OG 3.13Å; D81-S242 PolarHBondContact OD2-OG 3.14Å; D81-F244 HydrophobicContact CB-CB 3.91Å; D81-F244 VanDerWaalsContact CG-CB 3.44Å; D81-F244 VanDerWaalsContact OD1-CB 3.29Å; D81-F244 WeakPolarHBondContact OD1-CB 3.43Å; D81-F244 PolarHBondContact OD1-N 3.48Å
82	I	97.9	Very high	97	Very high	68 Å²	68	51 Å²	51	35%	0.349	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-65.7	-23.6	171.3	-165.4	170.5	0	0	0	112.3	R84 I238 V241	I82-R84 PolarHBondContact O-N 3.07Å; I82-I238 HydrophobicContact CB-CG2 4.4Å; I82-I238 HydrophobicContact CD1-CD1 3.69Å; I82-I238 HydrophobicContact CG1-CD1 3.87Å; I82-I238 HydrophobicContact CG1-CG2 4.1Å; I82-I238 HydrophobicContact CG2-CG2 3.87Å; I82-V241 HydrophobicContact CD1-CG2 4.14Å
83	L	97.9	Very high	97	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-66.9	-9.5	174.1	-74.7	169.6	0	0	0	114.6	L78 D81 S85 F86 L235 I238 L239 S242 F244 F245	L78-L83 HydrophobicContact CD2-CB 3.86Å; L78-L83 HydrophobicContact CD2-CD1 3.83Å; D81-L83 PolarHBondContact O-N 2.88Å; D81-L83 VanDerWaalsContact OD2-CB 3.23Å; D81-L83 WeakPolarHBondContact OD2-CB 3.4Å; D81-L83 VanDerWaalsContact OD2-CG 3.25Å; D81-L83 WeakPolarHBondContact OD2-CG 3.38Å; D81-L83 PolarHBondContact OD2-N 2.8Å; L83-S85 PolarHBondContact O-N 3.42Å; L83-F86 WeakPolarHBondContact O-CA 3.44Å; L83-F86 PolarHBondContact O-N 3.39Å; L83-L235 HydrophobicContact CD2-CD1 4.33Å; L83-I238 HydrophobicContact CD2-CG2 3.81Å; L83-I238 HydrophobicContact CG-CG2 4.27Å; L83-L239 HydrophobicContact CD1-CD2 4.12Å; L83-L239 HydrophobicContact CD2-CD2 3.6Å; L83-L239 HydrophobicContact CD2-CG 4.09Å; L83-L239 HydrophobicContact CG-CD2 4.49Å; L83-S242 WeakPolarHBondContact CD1-OG 3.38Å; L83-F244 HydrophobicContact CD1-CD1 4.44Å; L83-F245 HydrophobicContact CD1-CB 4.16Å
84	R	97.9	Very high	96.8	Very high	144 Å²	144	54.3 Å²	54.3	54%	0.543	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-49.9	-29.6	-178.4	69.4	-176.4	177.5	-81.9	-0.3	114.6	L78 D81 I82 F86	L78-R84 WeakPolarHBondContact O-CA 3.44Å; L78-R84 WeakPolarHBondContact O-CB 3.37Å; L78-R84 PolarHBondContact O-N 2.81Å; D81-R84 WeakPolarHBondContact O-CB 3.34Å; D81-R84 WeakPolarHBondContact O-CG 3.39Å; D81-R84 PolarHBondContact O-N 3.3Å; D81-R84 PolarHBondContact O-NH1 3.32Å; I82-R84 PolarHBondContact O-N 3.07Å; R84-F86 VanDerWaalsContact C-N 3.3Å; R84-F86 PolarHBondContact O-N 2.94Å
85	S	96.9	Very high	96.7	Very high	67 Å²	67	59.9 Å²	59.9	47%	0.469	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-81	-4.2	178.2	61.2	0	0	0	0	114.6	L83 R231	L83-S85 PolarHBondContact O-N 3.42Å; S85-R231 PolarHBondContact O-NH2 2.68Å
86	F	98.4	Very high	96.3	Very high	5 Å²	5	61.7 Å²	61.7	2%	0.022	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-116.6	6.5	-179	-66.8	-95.8	0	0	0	112.8	L83 R84 R231 K234 L235 I238 W268 L269	L83-F86 WeakPolarHBondContact O-CA 3.44Å; L83-F86 PolarHBondContact O-N 3.39Å; R84-F86 VanDerWaalsContact C-N 3.3Å; R84-F86 PolarHBondContact O-N 2.94Å; F86-R231 VanDerWaalsContact CD1-NH2 3.34Å; F86-K234 HydrophobicContact CE1-CB 4.41Å; F86-K234 HydrophobicContact CZ-CB 3.95Å; F86-L235 HydrophobicContact CB-CD1 4.06Å; F86-L235 HydrophobicContact CD1-CB 3.76Å; F86-L235 HydrophobicContact CD1-CD1 3.58Å; F86-L235 HydrophobicContact CD1-CG 4.17Å; F86-L235 HydrophobicContact CE1-CB 3.49Å; F86-L235 VanDerWaalsContact CE1-CB 3.49Å; F86-L235 HydrophobicContact CE1-CD1 4.11Å; F86-L235 HydrophobicContact CE1-CG 4.37Å; F86-L235 HydrophobicContact CG-CD1 3.83Å; F86-L235 HydrophobicContact CZ-CB 4.31Å; F86-I238 HydrophobicContact CD2-CB 4.49Å; F86-I238 HydrophobicContact CD2-CG2 4.16Å; F86-I238 HydrophobicContact CE2-CB 4Å; F86-I238 HydrophobicContact CE2-CG1 3.75Å; F86-I238 HydrophobicContact CE2-CG2 4.05Å; F86-I238 HydrophobicContact CZ-CG1 4.18Å; F86-W268 CarbonylContact O-C 3.48Å; F86-W268 WeakPolarHBondContact O-CA 3.44Å; F86-L269 HydrophobicContact CB-CD1 3.56Å; F86-L269 WeakPolarHBondContact O-CD1 3.32Å; F86-L269 PolarHBondContact O-N 2.73Å
87	V	97.9	Very high	96	Very high	2 Å²	2	62.9 Å²	62.9	1%	0.012	31%	0.312	C	S	.	.	S	Bend	trans	-127	159.1	179.8	-54.3	0	0	0	0	110	L78 K89 L269 F272	L78-V87 HydrophobicContact CB-CG2 4.12Å; L78-V87 HydrophobicContact CD1-CG1 4.16Å; L78-V87 HydrophobicContact CD2-CG1 4.39Å; V87-K89 PolarHBondContact O-N 3.29Å; V87-L269 HydrophobicContact CG1-CB 4.23Å; V87-L269 HydrophobicContact CG1-CD1 4.29Å; V87-F272 HydrophobicContact CB-CE2 4.44Å; V87-F272 HydrophobicContact CB-CZ 4.03Å; V87-F272 HydrophobicContact CG1-CE1 4.33Å; V87-F272 HydrophobicContact CG1-CZ 3.69Å
88	P	96.9	Very high	95.7	Very high	6 Å²	6	61.3 Å²	61.3	4%	0.039	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-57.1	132.4	169.2	-20.7	29.2	0	0	0	111	Q79 Y90 M104 Q105 L107 L269 I270	Q79-P88 PolarHBondContact NE2-O 2.83Å; P88-Y90 PolarHBondContact O-N 2.97Å; P88-M104 HydrophobicContact CB-CB 4.17Å; P88-M104 HydrophobicContact CB-CG 4.33Å; P88-M104 HydrophobicContact CB-SD 4.02Å; P88-M104 HydrophobicContact CG-SD 4.25Å; P88-Q105 HydrophobicContact CB-CB 4.39Å; P88-L107 HydrophobicContact CB-CD2 4.22Å; P88-L107 HydrophobicContact CG-CD1 3.98Å; P88-L107 HydrophobicContact CG-CD2 4.16Å; P88-L107 HydrophobicContact CG-CG 4.18Å; P88-L269 VanDerWaalsContact CD-O 3.3Å; P88-L269 WeakPolarHBondContact CD-O 3.25Å; P88-I270 HydrophobicContact CG-CG2 4.24Å
89	K	97	Very high	95.4	Very high	126 Å²	126	65.6 Å²	65.6	55%	0.548	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-60.4	124.9	171.4	-177.6	178.3	179.8	177.4	0	109.9	V87 M104 Q105	V87-K89 PolarHBondContact O-N 3.29Å; K89-M104 CarbonylContact O-C 3.54Å; K89-M104 VanDerWaalsContact O-CA 3.26Å; K89-M104 WeakPolarHBondContact O-CA 3.3Å; K89-M104 WeakPolarHBondContact O-CB 3.05Å; K89-Q105 HydrophobicContact CB-CB 4Å; K89-Q105 PolarHBondContact O-N 2.94Å
90	Y	96.2	Very high	95.3	Very high	40 Å²	40	68.5 Å²	68.5	16%	0.157	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	129.6	170.9	-176.1	-105.2	0	0	0	110.1	L75 L76 P88 E93 V102	L75-Y90 HydrophobicContact CB-CD2 3.98Å; L75-Y90 HydrophobicContact CB-CG 4.5Å; L75-Y90 HydrophobicContact CD1-CD2 4.38Å; L76-Y90 HydrophobicContact CD1-CD1 4.06Å; L76-Y90 HydrophobicContact CD1-CE1 4.16Å; P88-Y90 PolarHBondContact O-N 2.97Å; Y90-E93 WeakPolarHBondContact OH-CG 3.38Å; Y90-E93 PolarHBondContact OH-OE1 3.45Å; Y90-V102 HydrophobicContact CD2-CG1 3.89Å; Y90-V102 HydrophobicContact CE2-CG1 3.67Å
91	Q	95.6	Very high	95.1	Very high	64 Å²	64	62.5 Å²	62.5	30%	0.299	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	17.8	-175.3	-59.5	178.1	-7.3	0	0	112.4	S62 K103	S62-Q91 VanDerWaalsContact CB-OE1 3.27Å; S62-Q91 PolarHBondContact OG-OE1 3.36Å; Q91-K103 CarbonylContact C-O 3.57Å; Q91-K103 WeakPolarHBondContact CA-O 3.32Å; Q91-K103 HydrophobicContact CB-CB 4.23Å; Q91-K103 HydrophobicContact CB-CD 4Å; Q91-K103 HydrophobicContact CB-CG 3.91Å; Q91-K103 WeakPolarHBondContact CB-O 3.44Å; Q91-K103 PolarHBondContact N-O 3.05Å; Q91-K103 VanDerWaalsContact OE1-CE 3.31Å
92	G	95.1	Very high	95	Very high	24 Å²	24	61.7 Å²	61.7	25%	0.247	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	91.7	-157.5	-178	0	0	0	0	0	112.8	K103	G92-K103 WeakPolarHBondContact O-CB 3.39Å; G92-K103 PolarHBondContact O-N 3.35Å
93	E	94.6	Very high	94.8	Very high	83 Å²	83	61.7 Å²	61.7	39%	0.388	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	158.9	-175.8	-54.3	176.4	-176.9	0	0	110.1	Y67 Y90 R100 Y101	Y67-E93 HydrophobicContact CE2-CG 4.46Å; Y67-E93 WeakPolarHBondContact CE2-OE1 3.44Å; Y90-E93 WeakPolarHBondContact OH-CG 3.38Å; Y90-E93 PolarHBondContact OH-OE1 3.45Å; E93-R100 IonicContact OE1-CZ 2.68Å; E93-R100 IonicContact OE1-NE 2.77Å; E93-R100 IonicContact OE1-NH2 2.64Å; E93-R100 PolarHBondContact OE1-NH2 3.01Å; E93-R100 IonicContact OE2-CZ 3.6Å; E93-R100 IonicContact OE2-NE 3.76Å; E93-R100 PolarHBondContact OE2-NE 3.21Å; E93-R100 IonicContact OE2-NH2 2.86Å; E93-R100 PolarHBondContact OE2-NH2 3.35Å; E93-Y101 CarbonylContact C-O 3.45Å; E93-Y101 WeakPolarHBondContact CA-O 3.44Å; E93-Y101 WeakPolarHBondContact CB-O 3.49Å
94	K	93.1	Very high	94.7	Very high	92 Å²	92	62.5 Å²	62.5	40%	0.4	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	136.6	177.3	-169.1	174	-178	-177.7	0	110.5	L64 Y101	L64-K94 HydrophobicContact CD1-CD 4.11Å; L64-K94 HydrophobicContact CD2-CB 3.98Å; L64-K94 HydrophobicContact CD2-CD 4.14Å; K94-Y101 PolarHBondContact N-O 3.48Å; K94-Y101 PolarHBondContact O-N 2.98Å
95	L	93.9	Very high	94.6	Very high	124 Å²	124	58.8 Å²	58.8	65%	0.649	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	127.7	167.3	-167.6	70.4	0	0	0	108.7
96	L	89.5	Confident	94.5	Very high	37 Å²	37	55.8 Å²	55.8	19%	0.194	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	123.7	177.1	-178.7	71.6	0	0	0	108.9	M14 I56 G98 E99 Y101	M14-L96 HydrophobicContact CE-CD2 4.01Å; M14-L96 HydrophobicContact SD-CD1 3.91Å; M14-L96 HydrophobicContact SD-CD2 3.71Å; M14-L96 HydrophobicContact SD-CG 4.49Å; I56-L96 HydrophobicContact CD1-CD2 4.35Å; L96-G98 PolarHBondContact O-N 2.93Å; L96-E99 PolarHBondContact N-O 3.07Å; L96-E99 PolarHBondContact O-N 3.3Å; L96-Y101 HydrophobicContact CB-CD2 4.13Å; L96-Y101 HydrophobicContact CB-CE2 3.89Å
97	D	89	Confident	94.4	Very high	121 Å²	121	56 Å²	56	65%	0.647	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	35.3	-178.5	-61.1	-14.1	0	0	0	113.7	K16 E99	K16-D97 IonicContact NZ-OD2 2.66Å; K16-D97 PolarHBondContact NZ-OD2 2.89Å; D97-E99 PolarHBondContact O-N 3.46Å
98	G	91.1	Very high	94.2	Very high	62 Å²	62	56.3 Å²	56.3	64%	0.639	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.6	-7.7	-177.6	0	0	0	0	0	115.2	L96	L96-G98 PolarHBondContact O-N 2.93Å
99	E	92.6	Very high	93.9	Very high	90 Å²	90	60.9 Å²	60.9	42%	0.421	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	137.4	176	-68.2	-69.1	134.9	0	0	110.8	R66 L96 D97 Y101	R66-E99 IonicContact NE-OE2 3.52Å; L96-E99 PolarHBondContact N-O 3.07Å; L96-E99 PolarHBondContact O-N 3.3Å; D97-E99 PolarHBondContact O-N 3.46Å; E99-Y101 HydrophobicContact CB-CD2 4.47Å; E99-Y101 HydrophobicContact CB-CE2 3.59Å; E99-Y101 VanDerWaalsContact O-CD2 3.27Å; E99-Y101 WeakPolarHBondContact O-CD2 3.25Å; E99-Y101 WeakPolarHBondContact O-CE2 3.37Å
100	R	94.4	Very high	93.7	Very high	107 Å²	107	61 Å²	61	40%	0.404	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	139.6	177.8	-167.8	177.2	172.2	-164.7	-5.8	109.7	Y67 E93	Y67-R100 VanDerWaalsContact CB-C 3.48Å; Y67-R100 WeakPolarHBondContact CB-O 3.38Å; Y67-R100 HydrophobicContact CD1-CG 4.47Å; Y67-R100 HydrophobicContact CD2-CG 3.92Å; Y67-R100 VanDerWaalsContact CE2-NH2 3.34Å; Y67-R100 HydrophobicContact CG-CB 4.26Å; Y67-R100 HydrophobicContact CG-CG 3.83Å; Y67-R100 VanDerWaalsContact CZ-NH2 3.31Å; Y67-R100 PolarHBondContact N-O 3.38Å; Y67-R100 PolarHBondContact OH-NH1 3.46Å; Y67-R100 PolarHBondContact OH-NH2 3.35Å; Y67-R100 VanDerWaalsContact OH-NH2 3.11Å; E93-R100 IonicContact OE1-CZ 2.68Å; E93-R100 IonicContact OE1-NE 2.77Å; E93-R100 IonicContact OE1-NH2 2.64Å; E93-R100 PolarHBondContact OE1-NH2 3.01Å; E93-R100 IonicContact OE2-CZ 3.6Å; E93-R100 IonicContact OE2-NE 3.76Å; E93-R100 PolarHBondContact OE2-NE 3.21Å; E93-R100 IonicContact OE2-NH2 2.86Å; E93-R100 PolarHBondContact OE2-NH2 3.35Å
101	Y	94.3	Very high	93.5	Very high	32 Å²	32	59.4 Å²	59.4	13%	0.125	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	145.9	179.5	-64.8	-97.1	0	0	0	111	I56 L64 K65 E93 K94 L96 E99	I56-Y101 HydrophobicContact CD1-CD1 4.49Å; I56-Y101 HydrophobicContact CD1-CE1 3.71Å; L64-Y101 HydrophobicContact CB-CD1 3.84Å; L64-Y101 HydrophobicContact CB-CG 4.06Å; K65-Y101 CarbonylContact O-C 3.53Å; K65-Y101 VanDerWaalsContact O-CA 3.24Å; K65-Y101 WeakPolarHBondContact O-CA 3.38Å; K65-Y101 WeakPolarHBondContact O-CB 3.44Å; E93-Y101 CarbonylContact C-O 3.45Å; E93-Y101 WeakPolarHBondContact CA-O 3.44Å; E93-Y101 WeakPolarHBondContact CB-O 3.49Å; K94-Y101 PolarHBondContact N-O 3.48Å; K94-Y101 PolarHBondContact O-N 2.98Å; L96-Y101 HydrophobicContact CB-CD2 4.13Å; L96-Y101 HydrophobicContact CB-CE2 3.89Å; E99-Y101 HydrophobicContact CB-CD2 4.47Å; E99-Y101 HydrophobicContact CB-CE2 3.59Å; E99-Y101 VanDerWaalsContact O-CD2 3.27Å; E99-Y101 WeakPolarHBondContact O-CD2 3.25Å; E99-Y101 WeakPolarHBondContact O-CE2 3.37Å
102	V	94.6	Very high	93.2	Very high	1 Å²	1	64.4 Å²	64.4	1%	0.006	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	124	161.8	171.2	0	0	0	0	108.1	L64 K65 Y67 A72 L75 Y90	L64-V102 CarbonylContact C-O 3.51Å; L64-V102 WeakPolarHBondContact CA-O 3.3Å; K65-V102 PolarHBondContact N-O 2.98Å; K65-V102 PolarHBondContact O-N 3.05Å; Y67-V102 HydrophobicContact CD2-CG2 3.78Å; Y67-V102 HydrophobicContact CE2-CG2 4.37Å; A72-V102 HydrophobicContact CB-CG2 3.72Å; L75-V102 HydrophobicContact CD1-CG1 4Å; Y90-V102 HydrophobicContact CD2-CG1 3.89Å; Y90-V102 HydrophobicContact CE2-CG1 3.67Å
103	K	95.1	Very high	93	Very high	69 Å²	69	66.8 Å²	66.8	30%	0.3	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	126.8	171.9	-170.3	-172.6	176.3	-172.3	0	108.5	S62 V63 L64 Q91 G92	S62-K103 VanDerWaalsContact OG-CE 3.32Å; S62-K103 WeakPolarHBondContact OG-CE 3.18Å; V63-K103 WeakPolarHBondContact O-CA 3.36Å; L64-K103 HydrophobicContact CD2-CB 3.8Å; L64-K103 HydrophobicContact CD2-CG 3.88Å; Q91-K103 CarbonylContact C-O 3.57Å; Q91-K103 WeakPolarHBondContact CA-O 3.32Å; Q91-K103 HydrophobicContact CB-CB 4.23Å; Q91-K103 HydrophobicContact CB-CD 4Å; Q91-K103 HydrophobicContact CB-CG 3.91Å; Q91-K103 WeakPolarHBondContact CB-O 3.44Å; Q91-K103 PolarHBondContact N-O 3.05Å; Q91-K103 VanDerWaalsContact OE1-CE 3.31Å; G92-K103 WeakPolarHBondContact O-CB 3.39Å; G92-K103 PolarHBondContact O-N 3.35Å
104	M	95.5	Very high	93	Very high	17 Å²	17	64 Å²	64	8%	0.084	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	169.1	178.8	60.6	-177.9	157.2	0	0	111.8	L55 S62 V63 K65 L75 P88 K89 D106	L55-M104 HydrophobicContact CD2-CE 4.07Å; S62-M104 WeakPolarHBondContact CA-O 3.28Å; V63-M104 HydrophobicContact CG2-CE 4.14Å; V63-M104 HydrophobicContact CG2-CG 3.65Å; V63-M104 PolarHBondContact N-O 2.97Å; V63-M104 PolarHBondContact O-N 3.4Å; K65-M104 HydrophobicContact CB-CE 3.45Å; K65-M104 VanDerWaalsContact CB-CE 3.45Å; K65-M104 HydrophobicContact CD-CE 3.64Å; K65-M104 HydrophobicContact CG-CE 4.17Å; L75-M104 HydrophobicContact CD1-SD 4.09Å; P88-M104 HydrophobicContact CB-CB 4.17Å; P88-M104 HydrophobicContact CB-CG 4.33Å; P88-M104 HydrophobicContact CB-SD 4.02Å; P88-M104 HydrophobicContact CG-SD 4.25Å; K89-M104 CarbonylContact O-C 3.54Å; K89-M104 VanDerWaalsContact O-CA 3.26Å; K89-M104 WeakPolarHBondContact O-CA 3.3Å; K89-M104 WeakPolarHBondContact O-CB 3.05Å; M104-D106 PolarHBondContact O-N 3.19Å
105	Q	95.6	Very high	93.1	Very high	66 Å²	66	59.8 Å²	59.8	31%	0.308	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	133.3	177.4	180	178.4	4.7	0	0	112	P88 K89 L107	P88-Q105 HydrophobicContact CB-CB 4.39Å; K89-Q105 HydrophobicContact CB-CB 4Å; K89-Q105 PolarHBondContact O-N 2.94Å; Q105-L107 HydrophobicContact CG-CD2 4.36Å; Q105-L107 PolarHBondContact O-N 2.91Å
106	D	94.7	Very high	93.3	Very high	4 Å²	4	54.1 Å²	54.1	2%	0.021	28%	0.277	C	S	.	.			trans	-74.2	105.4	164.9	178.3	-20.4	0	0	0	109.5	W45 S57 G61 V63 M104 L108 Y109	W45-D106 VanDerWaalsContact CE2-CG 3.47Å; W45-D106 HydrophobicContact CZ2-CB 4.06Å; W45-D106 VanDerWaalsContact CZ2-CG 3.5Å; W45-D106 WeakPolarHBondContact CZ2-OD1 3.29Å; W45-D106 PolarHBondContact NE1-OD1 3.04Å; W45-D106 PolarHBondContact NE1-OD2 3.29Å; S57-D106 PolarHBondContact OG-OD2 3.04Å; G61-D106 WeakPolarHBondContact O-CB 3.37Å; G61-D106 PolarHBondContact O-N 2.98Å; V63-D106 HydrophobicContact CG1-CB 4.07Å; M104-D106 PolarHBondContact O-N 3.19Å; D106-L108 PolarHBondContact O-N 3.04Å; D106-L108 WeakPolarHBondContact OD1-CA 3.47Å; D106-L108 PolarHBondContact OD1-N 3.03Å; D106-Y109 PolarHBondContact OD1-N 2.83Å
107	L	95.2	Very high	93.7	Very high	10 Å²	10	52.3 Å²	52.3	5%	0.052	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-19.1	179.9	-61.7	-175.8	0	0	0	113.5	P88 Q105 F111 L256 W268 I270	P88-L107 HydrophobicContact CB-CD2 4.22Å; P88-L107 HydrophobicContact CG-CD1 3.98Å; P88-L107 HydrophobicContact CG-CD2 4.16Å; P88-L107 HydrophobicContact CG-CG 4.18Å; Q105-L107 HydrophobicContact CG-CD2 4.36Å; Q105-L107 PolarHBondContact O-N 2.91Å; L107-F111 WeakPolarHBondContact O-CD2 3.43Å; L107-F111 VanDerWaalsContact O-CE2 3.29Å; L107-F111 WeakPolarHBondContact O-CE2 3.47Å; L107-L256 HydrophobicContact CB-CD2 4.44Å; L107-L256 HydrophobicContact CD1-CD2 3.78Å; L107-W268 HydrophobicContact CB-CD2 4.43Å; L107-W268 HydrophobicContact CB-CE3 4.33Å; L107-W268 HydrophobicContact CD1-CB 3.59Å; L107-W268 HydrophobicContact CD1-CD2 3.84Å; L107-W268 HydrophobicContact CD1-CE3 4.06Å; L107-W268 HydrophobicContact CD1-CG 3.65Å; L107-W268 HydrophobicContact CD2-CB 4.47Å; L107-W268 HydrophobicContact CD2-CD2 3.82Å; L107-W268 HydrophobicContact CD2-CG 3.75Å; L107-W268 HydrophobicContact CD2-CZ2 4.42Å; L107-W268 HydrophobicContact CG-CD2 4.25Å; L107-W268 HydrophobicContact CG-CG 4.29Å; L107-I270 HydrophobicContact CD1-CG2 3.92Å
108	L	93.4	Very high	94.1	Very high	7 Å²	7	46.7 Å²	46.7	4%	0.037	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-13.3	-175.4	-56	-179	0	0	0	112.7	W45 D106 N110 F111 P114 I116 V258	W45-L108 HydrophobicContact CD2-CD1 3.99Å; W45-L108 HydrophobicContact CE3-CD1 3.92Å; W45-L108 HydrophobicContact CH2-CD1 4.02Å; W45-L108 HydrophobicContact CH2-CG 3.91Å; W45-L108 HydrophobicContact CZ2-CB 4.09Å; W45-L108 HydrophobicContact CZ2-CD1 4.05Å; W45-L108 HydrophobicContact CZ2-CG 3.83Å; W45-L108 HydrophobicContact CZ3-CD1 3.93Å; W45-L108 HydrophobicContact CZ3-CG 4.32Å; D106-L108 PolarHBondContact O-N 3.04Å; D106-L108 WeakPolarHBondContact OD1-CA 3.47Å; D106-L108 PolarHBondContact OD1-N 3.03Å; L108-N110 PolarHBondContact O-N 2.98Å; L108-F111 PolarHBondContact O-N 3.3Å; L108-P114 HydrophobicContact CD2-CG 4.48Å; L108-I116 HydrophobicContact CD1-CD1 3.57Å; L108-I116 HydrophobicContact CD2-CD1 3.84Å; L108-I116 HydrophobicContact CD2-CG1 4.07Å; L108-I116 HydrophobicContact CG-CD1 4.37Å; L108-V258 HydrophobicContact CD2-CB 4.36Å; L108-V258 HydrophobicContact CD2-CG1 3.63Å; L108-V258 HydrophobicContact CD2-CG2 3.75Å
109	Y	91.9	Very high	94.4	Very high	102 Å²	102	43.7 Å²	43.7	40%	0.4	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-39.1	-169.3	-176.1	-113.8	0	0	0	114.7	G59 G61 D106	G59-Y109 WeakPolarHBondContact O-CE2 3.23Å; G61-Y109 VanDerWaalsContact N-CD2 3.32Å; D106-Y109 PolarHBondContact OD1-N 2.83Å
110	N	91.5	Very high	94.6	Very high	128 Å²	128	41 Å²	41	68%	0.684	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-1.6	-176	-68.9	-29.2	0	0	0	114.1	L108	L108-N110 PolarHBondContact O-N 2.98Å
111	F	92.3	Very high	94.8	Very high	7 Å²	7	36 Å²	36	3%	0.031	18%	0.175	C	C	.	.			trans	-89.7	141.8	179.1	-70.3	-95.4	0	0	0	111.3	L107 L108 P114 V258 D260 Y264 N266 W268	L107-F111 WeakPolarHBondContact O-CD2 3.43Å; L107-F111 VanDerWaalsContact O-CE2 3.29Å; L107-F111 WeakPolarHBondContact O-CE2 3.47Å; L108-F111 PolarHBondContact O-N 3.3Å; F111-P114 HydrophobicContact CB-CB 3.75Å; F111-P114 HydrophobicContact CB-CG 4.16Å; F111-P114 HydrophobicContact CG-CB 4.3Å; F111-V258 HydrophobicContact CD1-CG1 3.72Å; F111-V258 HydrophobicContact CD2-CG1 3.77Å; F111-V258 HydrophobicContact CE1-CB 4.03Å; F111-V258 HydrophobicContact CE1-CG1 3.69Å; F111-V258 HydrophobicContact CE2-CB 4.05Å; F111-V258 HydrophobicContact CE2-CG1 3.74Å; F111-V258 HydrophobicContact CG-CG1 3.74Å; F111-V258 HydrophobicContact CZ-CB 3.75Å; F111-V258 HydrophobicContact CZ-CG1 3.69Å; F111-D260 HydrophobicContact CB-CB 4.48Å; F111-D260 HydrophobicContact CD1-CB 4.06Å; F111-Y264 AromaticContact CD1-CD1 3.94Å; F111-Y264 HydrophobicContact CD1-CD1 3.94Å; F111-Y264 HydrophobicContact CD1-CE1 4.42Å; F111-Y264 AromaticContact CE1-CD1 3.35Å; F111-Y264 HydrophobicContact CE1-CD1 3.35Å; F111-Y264 AromaticContact CE1-CE1 3.65Å; F111-Y264 HydrophobicContact CE1-CE1 3.65Å; F111-Y264 HydrophobicContact CE1-CG 4.37Å; F111-Y264 HydrophobicContact CE2-CD1 4.44Å; F111-Y264 AromaticContact CE2-CE1 3.98Å; F111-Y264 HydrophobicContact CE2-CE1 3.98Å; F111-Y264 AromaticContact CZ-CD1 3.66Å; F111-Y264 HydrophobicContact CZ-CD1 3.66Å; F111-Y264 AromaticContact CZ-CE1 3.4Å; F111-Y264 HydrophobicContact CZ-CE1 3.4Å; F111-N266 HydrophobicContact CZ-CB 4.22Å; F111-W268 AromaticContact CE2-CH2 3.61Å; F111-W268 HydrophobicContact CE2-CH2 3.61Å; F111-W268 HydrophobicContact CE2-CZ3 4.03Å; F111-W268 AromaticContact CZ-CH2 3.75Å; F111-W268 HydrophobicContact CZ-CH2 3.75Å; F111-W268 HydrophobicContact CZ-CZ3 4.06Å
112	K	90	Very high	95	Very high	170 Å²	170	34.6 Å²	34.6	74%	0.739	17%	0.17	S	C	*	.	S	Bend	trans	-97.6	111.4	174.1	-67.2	178.5	-176.5	174.5	0	109.8	D260	K112-D260 PolarHBondContact N-OD2 2.84Å; K112-D260 VanDerWaalsContact N-OD2 3.11Å; K112-D260 VanDerWaalsContact O-CB 3.25Å; K112-D260 WeakPolarHBondContact O-CB 3.45Å
113	S	90.4	Very high	95.1	Very high	73 Å²	73	37.2 Å²	37.2	51%	0.51	18%	0.182	S	C	.	.	S	Bend	trans	51.8	61.3	-177.9	-54.8	0	0	0	0	112.2	S193	S113-S193 WeakPolarHBondContact CB-OG 3.24Å; S113-S193 VanDerWaalsContact O-CB 3.28Å; S113-S193 WeakPolarHBondContact O-CB 3.35Å; S113-S193 PolarHBondContact O-OG 3.4Å
114	P	94.2	Very high	95.1	Very high	25 Å²	25	34.4 Å²	34.4	16%	0.162	17%	0.169	C	C	.	.			trans	-63.8	142.8	-171.7	24.2	-33	0	0	0	112.6	L108 F111 I116 V258 H259	L108-P114 HydrophobicContact CD2-CG 4.48Å; F111-P114 HydrophobicContact CB-CB 3.75Å; F111-P114 HydrophobicContact CB-CG 4.16Å; F111-P114 HydrophobicContact CG-CB 4.3Å; P114-I116 HydrophobicContact CB-CD1 4.49Å; P114-I116 HydrophobicContact CB-CG1 4.01Å; P114-I116 HydrophobicContact CG-CD1 4.27Å; P114-I116 HydrophobicContact CG-CG1 4.32Å; P114-V258 HydrophobicContact CB-CG1 3.67Å; P114-H259 CarbonylContact C-O 3.58Å; P114-H259 VanDerWaalsContact CA-O 3.3Å; P114-H259 WeakPolarHBondContact CA-O 3.35Å
115	S	96.6	Very high	95	Very high	4 Å²	4	34 Å²	34	3%	0.028	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	132.6	155.5	-57.5	0	0	0	0	108.6	K191 S193 V258 H259	S115-K191 CarbonylContact C-O 3.6Å; S115-K191 VanDerWaalsContact CA-O 3.24Å; S115-K191 WeakPolarHBondContact CA-O 3.25Å; S115-S193 PolarHBondContact OG-N 3.08Å; S115-S193 VanDerWaalsContact OG-N 3.08Å; S115-V258 WeakPolarHBondContact O-CA 3.23Å; S115-H259 WeakPolarHBondContact CB-CE1 3.32Å; S115-H259 VanDerWaalsContact CB-NE2 3.33Å; S115-H259 WeakPolarHBondContact CB-NE2 3.36Å; S115-H259 PolarHBondContact N-O 3.39Å; S115-H259 PolarHBondContact O-N 3.15Å; S115-H259 PolarHBondContact OG-CE1 2.95Å
116	I	97.1	Very high	94.9	Very high	4 Å²	4	31 Å²	31	2%	0.021	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	133.5	-170.3	-44.9	169.4	0	0	0	109	L48 L108 P114 K191 F217 L256 F257 V258	L48-I116 HydrophobicContact CD1-CB 3.71Å; L48-I116 HydrophobicContact CD1-CG2 3.27Å; L48-I116 HydrophobicContact CG-CB 4.41Å; L48-I116 HydrophobicContact CG-CG2 4.05Å; L108-I116 HydrophobicContact CD1-CD1 3.57Å; L108-I116 HydrophobicContact CD2-CD1 3.84Å; L108-I116 HydrophobicContact CD2-CG1 4.07Å; L108-I116 HydrophobicContact CG-CD1 4.37Å; P114-I116 HydrophobicContact CB-CD1 4.49Å; P114-I116 HydrophobicContact CB-CG1 4.01Å; P114-I116 HydrophobicContact CG-CD1 4.27Å; P114-I116 HydrophobicContact CG-CG1 4.32Å; I116-K191 PolarHBondContact N-O 3.43Å; I116-K191 PolarHBondContact O-N 2.91Å; I116-F217 VanDerWaalsContact C-CE2 3.48Å; I116-L256 HydrophobicContact CG2-CD1 3.52Å; I116-L256 HydrophobicContact CG2-CG 4.12Å; I116-F257 CarbonylContact C-O 3.53Å; I116-F257 VanDerWaalsContact CA-O 3.28Å; I116-F257 WeakPolarHBondContact CA-O 3.3Å; I116-V258 HydrophobicContact CG1-CG1 4.42Å; I116-V258 HydrophobicContact CG2-CG2 4.35Å
117	M	97.8	Very high	94.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	134.6	171.3	167.7	-169.5	-74.6	0	0	109.2	C119 I187 A189 I190 F214 F217 F257	M117-C119 VanDerWaalsContact SD-SG 3.63Å; M117-I187 HydrophobicContact CE-CD1 4.45Å; M117-I187 HydrophobicContact CG-CG2 4.45Å; M117-A189 WeakPolarHBondContact CA-O 3.47Å; M117-I190 HydrophobicContact CB-CG1 4.31Å; M117-I190 HydrophobicContact CE-CD1 3.43Å; M117-I190 VanDerWaalsContact CE-CD1 3.43Å; M117-I190 HydrophobicContact CE-CG1 3.73Å; M117-I190 HydrophobicContact CG-CG1 4.08Å; M117-F214 HydrophobicContact CE-CD1 4.21Å; M117-F214 HydrophobicContact CE-CD2 4.29Å; M117-F214 HydrophobicContact CE-CE1 4.33Å; M117-F214 HydrophobicContact CE-CE2 4.42Å; M117-F214 HydrophobicContact CE-CG 4.2Å; M117-F214 HydrophobicContact CE-CZ 4.44Å; M117-F214 HydrophobicContact SD-CD1 3.92Å; M117-F214 HydrophobicContact SD-CD2 4.41Å; M117-F214 HydrophobicContact SD-CE1 3.48Å; M117-F214 WeakPolarHBondContact SD-CE1 3.43Å; M117-F214 HydrophobicContact SD-CE2 4.02Å; M117-F214 HydrophobicContact SD-CG 4.38Å; M117-F214 HydrophobicContact SD-CZ 3.54Å; M117-F214 VanDerWaalsContact SD-CZ 3.54Å; M117-F217 HydrophobicContact CB-CD1 4.19Å; M117-F217 HydrophobicContact CB-CD2 4.05Å; M117-F217 HydrophobicContact CB-CE1 3.85Å; M117-F217 HydrophobicContact CB-CE2 3.69Å; M117-F217 HydrophobicContact CB-CG 4.28Å; M117-F217 HydrophobicContact CB-CZ 3.58Å; M117-F217 HydrophobicContact CE-CB 3.48Å; M117-F217 VanDerWaalsContact CE-CB 3.48Å; M117-F217 HydrophobicContact CE-CD1 3.65Å; M117-F217 HydrophobicContact CE-CD2 4.17Å; M117-F217 HydrophobicContact CE-CE1 4.42Å; M117-F217 HydrophobicContact CE-CG 3.49Å; M117-F217 VanDerWaalsContact CE-CG 3.49Å; M117-F217 HydrophobicContact SD-CD1 4.11Å; M117-F217 HydrophobicContact SD-CE1 4.4Å; M117-F217 HydrophobicContact SD-CG 4.46Å; M117-F257 HydrophobicContact CB-CB 4.12Å; M117-F257 HydrophobicContact CG-CD2 4.48Å; M117-F257 PolarHBondContact N-O 2.85Å; M117-F257 PolarHBondContact O-N 2.97Å; M117-F257 HydrophobicContact SD-CD2 4.47Å
118	D	97.7	Very high	94.8	Very high	2 Å²	2	31 Å²	31	1%	0.011	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	120.2	174.2	-176.3	-26.2	0	0	0	108.3	L48 S49 E188 A189 S254	L48-D118 HydrophobicContact CB-CB 4.47Å; L48-D118 HydrophobicContact CD1-CB 4.17Å; S49-D118 WeakPolarHBondContact CB-OD2 3.37Å; S49-D118 PolarHBondContact OG-OD2 3.21Å; D118-E188 HydrophobicContact CB-CB 4.3Å; D118-E188 PolarHBondContact O-N 2.75Å; D118-A189 PolarHBondContact N-O 2.83Å; D118-A189 PolarHBondContact O-N 3.24Å; D118-S254 WeakPolarHBondContact OD1-CB 3.27Å; D118-S254 PolarHBondContact OD1-OG 2.83Å
119	C	97.5	Very high	94.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	116.4	172.7	-64.1	0	0	0	0	110.1	M117 I121 R186 S254 L255 F257	M117-C119 VanDerWaalsContact SD-SG 3.63Å; C119-I121 HydrophobicContact CB-CD1 4.1Å; C119-I121 WeakPolarHBondContact O-CD1 3.17Å; C119-R186 CarbonylContact C-O 3.59Å; C119-R186 WeakPolarHBondContact CA-O 3.35Å; C119-S254 CarbonylContact O-C 3.54Å; C119-S254 WeakPolarHBondContact O-CA 3.08Å; C119-S254 VanDerWaalsContact O-CB 3.32Å; C119-S254 WeakPolarHBondContact O-CB 3.15Å; C119-L255 PolarHBondContact N-O 2.72Å; C119-L255 PolarHBondContact O-N 3.32Å; C119-F257 HydrophobicContact CB-CD2 4.47Å; C119-F257 HydrophobicContact CB-CE2 3.94Å
120	K	97.4	Very high	94.7	Very high	33 Å²	33	33 Å²	33	14%	0.143	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	134.7	170.4	-173	174.6	-57.4	-59.3	0	109.3	T125 F185 R186 E188 G252 S254	K120-T125 HydrophobicContact CD-CG2 4.09Å; K120-F185 CarbonylContact O-C 3.52Å; K120-F185 WeakPolarHBondContact O-CA 3.35Å; K120-F185 WeakPolarHBondContact O-CB 3.24Å; K120-R186 HydrophobicContact CB-CG 4.23Å; K120-R186 PolarHBondContact N-O 2.85Å; K120-R186 PolarHBondContact O-N 2.83Å; K120-E188 HydrophobicContact CB-CG 3.79Å; K120-E188 WeakPolarHBondContact CE-OE1 3.45Å; K120-G252 PolarHBondContact NZ-O 3.22Å; K120-S254 WeakPolarHBondContact CA-OG 3.49Å
121	I	98.3	Very high	94.6	Very high	3 Å²	3	27 Å²	27	2%	0.015	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	147.6	-174.2	-48.5	-56.6	0	0	0	110.7	C119 F185 S253 L255 Y300 I304 L307	C119-I121 HydrophobicContact CB-CD1 4.1Å; C119-I121 WeakPolarHBondContact O-CD1 3.17Å; I121-F185 HydrophobicContact CD1-CB 3.63Å; I121-S253 PolarHBondContact N-O 2.97Å; I121-S253 VanDerWaalsContact N-O 3.1Å; I121-L255 HydrophobicContact CD1-CB 4.35Å; I121-L255 HydrophobicContact CD1-CD1 4.01Å; I121-L255 HydrophobicContact CD1-CG 4Å; I121-L255 HydrophobicContact CG1-CB 4.36Å; I121-L255 HydrophobicContact CG1-CD1 4.16Å; I121-L255 HydrophobicContact CG1-CG 3.75Å; I121-Y300 HydrophobicContact CB-CD2 3.85Å; I121-Y300 HydrophobicContact CB-CE1 4.35Å; I121-Y300 HydrophobicContact CB-CE2 3.46Å; I121-Y300 VanDerWaalsContact CB-CE2 3.46Å; I121-Y300 HydrophobicContact CB-CG 4.43Å; I121-Y300 HydrophobicContact CG1-CE2 4.24Å; I121-Y300 HydrophobicContact CG2-CD1 3.8Å; I121-Y300 HydrophobicContact CG2-CD2 3.58Å; I121-Y300 HydrophobicContact CG2-CE1 3.83Å; I121-Y300 HydrophobicContact CG2-CE2 3.61Å; I121-Y300 HydrophobicContact CG2-CG 3.68Å; I121-Y300 WeakPolarHBondContact CG2-O 3.46Å; I121-I304 HydrophobicContact CG2-CD1 4.48Å; I121-L307 HydrophobicContact CD1-CD1 3.76Å
122	G	97.9	Very high	94.1	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.01	17%	0.17	C	C	.	.	S	Bend	trans	122	153.5	-178.1	0	0	0	0	0	111.7	R124 T180 G184 D298	G122-R124 VanDerWaalsContact C-N 3.27Å; G122-T180 VanDerWaalsContact O-CG2 3.26Å; G122-T180 WeakPolarHBondContact O-CG2 3.39Å; G122-G184 CarbonylContact C-O 3.49Å; G122-G184 PolarHBondContact N-O 3.21Å; G122-G184 CarbonylContact O-C 3.51Å; G122-G184 VanDerWaalsContact O-C 3.22Å; G122-G184 WeakPolarHBondContact O-CA 3.3Å; G122-D298 CarbonylContact C-O 3.5Å; G122-D298 VanDerWaalsContact CA-O 3.26Å; G122-D298 WeakPolarHBondContact CA-O 3.22Å
123	Q	97.2	Very high	93.4	Very high	57 Å²	57	26.9 Å²	26.9	27%	0.266	17%	0.168	S	C	.	.	S	Bend	trans	-82.5	-5.6	170.7	-73.5	-171	-55.8	0	0	113.4	T180 A181 D298 I302	Q123-T180 WeakPolarHBondContact CA-O 3.49Å; Q123-A181 PolarHBondContact NE2-O 3.16Å; Q123-A181 VanDerWaalsContact NE2-O 3.09Å; Q123-D298 PolarHBondContact N-O 3.15Å; Q123-I302 HydrophobicContact CG-CG2 4.4Å
124	R	95.8	Very high	92.7	Very high	9 Å²	9	24.8 Å²	24.8	3%	0.034	15%	0.152	C	C	.	.			trans	-143.8	154.8	175	59.4	175.6	179.1	105.6	-1.9	111.7	G122 F126 D175 E249 I251 W291 Y296 E297	G122-R124 VanDerWaalsContact C-N 3.27Å; R124-F126 HydrophobicContact CB-CD1 4.29Å; R124-F126 HydrophobicContact CB-CE1 3.9Å; R124-F126 HydrophobicContact CB-CZ 4.23Å; R124-F126 PolarHBondContact NH1-O 3.44Å; R124-D175 VanDerWaalsContact CA-OD2 3.32Å; R124-D175 WeakPolarHBondContact CA-OD2 3.42Å; R124-E249 IonicContact CZ-OE1 2.76Å; R124-E249 IonicContact NH1-OE1 3.81Å; R124-E249 PolarHBondContact NH1-OE1 2.86Å; R124-E249 IonicContact NH2-OE1 3.04Å; R124-E249 PolarHBondContact NH2-OE1 3.24Å; R124-I251 HydrophobicContact CG-CD1 3.68Å; R124-I251 WeakPolarHBondContact O-CD1 3.22Å; R124-W291 VanDerWaalsContact NE-CD1 3.32Å; R124-Y296 VanDerWaalsContact NH2-C 3.33Å; R124-Y296 PolarHBondContact NH2-O 3.05Å; R124-E297 VanDerWaalsContact CZ-O 3.28Å; R124-E297 PolarHBondContact NE-O 3.08Å; R124-E297 PolarHBondContact NH2-O 2.77Å
125	T	92.8	Very high	91.6	Very high	10 Å²	10	25.7 Å²	25.7	6%	0.061	16%	0.159	C	C	.	.	S	Bend	trans	-118.2	9.7	-176.2	61.2	0	0	0	0	115.9	K120 R174 D175 T180	K120-T125 HydrophobicContact CD-CG2 4.09Å; T125-R174 PolarHBondContact OG1-NH2 2.8Å; T125-D175 WeakPolarHBondContact CB-OD1 3.38Å; T125-D175 WeakPolarHBondContact CG2-OD1 3.28Å; T125-D175 PolarHBondContact N-OD2 2.81Å; T125-D175 VanDerWaalsContact OG1-CG 3.32Å; T125-D175 PolarHBondContact OG1-OD1 2.98Å; T125-D175 PolarHBondContact OG1-OD2 3.3Å; T125-T180 HydrophobicContact CG2-CG2 3.98Å
126	F	94	Very high	90.4	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.009	19%	0.19	C	C	.	.	S	Bend	trans	-121.3	142.1	176.8	56.3	-86.5	0	0	0	109	R124 E130 V131 L168 L171 Q172 W291	R124-F126 HydrophobicContact CB-CD1 4.29Å; R124-F126 HydrophobicContact CB-CE1 3.9Å; R124-F126 HydrophobicContact CB-CZ 4.23Å; R124-F126 PolarHBondContact NH1-O 3.44Å; F126-E130 HydrophobicContact CB-CB 4.49Å; F126-V131 HydrophobicContact CD2-CG1 3.72Å; F126-V131 HydrophobicContact CD2-CG2 4.03Å; F126-V131 HydrophobicContact CE2-CG1 4.1Å; F126-V131 HydrophobicContact CE2-CG2 4.05Å; F126-V131 HydrophobicContact CG-CG1 4.49Å; F126-L168 HydrophobicContact CE2-CD1 3.54Å; F126-L168 HydrophobicContact CZ-CD1 3.63Å; F126-L171 HydrophobicContact CB-CD1 3.78Å; F126-L171 HydrophobicContact CD1-CB 3.56Å; F126-L171 HydrophobicContact CD1-CD1 4.25Å; F126-L171 HydrophobicContact CD1-CG 4.39Å; F126-L171 HydrophobicContact CD2-CD1 4.4Å; F126-L171 HydrophobicContact CE1-CB 3.86Å; F126-L171 HydrophobicContact CG-CB 4.08Å; F126-L171 HydrophobicContact CG-CD1 3.89Å; F126-Q172 HydrophobicContact CE1-CG 4.18Å; F126-Q172 HydrophobicContact CZ-CG 3.92Å; F126-W291 AromaticContact CE2-CH2 3.91Å; F126-W291 HydrophobicContact CE2-CH2 3.91Å; F126-W291 HydrophobicContact CE2-CZ2 4.08Å; F126-W291 HydrophobicContact CE2-CZ3 4.32Å; F126-W291 HydrophobicContact CZ-CH2 4.31Å; F126-W291 HydrophobicContact CZ-CZ3 4.27Å
127	S	94.5	Very high	89.4	Confident	12 Å²	12	37.7 Å²	37.7	8%	0.084	23%	0.225	C	C	.	.			trans	-75.3	158	173	63.1	0	0	0	0	111	S129 E130 E249	S127-S129 PolarHBondContact O-N 3.25Å; S127-S129 PolarHBondContact OG-OG 2.95Å; S127-E130 PolarHBondContact N-OE1 3.25Å; S127-E130 WeakPolarHBondContact O-CB 3.33Å; S127-E130 PolarHBondContact O-N 3.22Å; S127-E130 WeakPolarHBondContact OG-CG 3.44Å; S127-E130 PolarHBondContact OG-N 2.86Å; S127-E249 WeakPolarHBondContact CA-OE1 3.32Å
128	E	93.4	Very high	88.8	Confident	3 Å²	3	41.8 Å²	41.8	1%	0.014	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-60.4	-36.4	174.8	-171.6	165.4	122.2	0	0	110.9	E130 V131 I132 E249 G294 Y296	E128-E130 PolarHBondContact O-N 3.13Å; E128-V131 CarbonylContact O-C 3.51Å; E128-V131 VanDerWaalsContact O-CG2 3.3Å; E128-V131 WeakPolarHBondContact O-CG2 3.44Å; E128-V131 PolarHBondContact O-N 3.39Å; E128-I132 WeakPolarHBondContact O-CB 3.29Å; E128-I132 PolarHBondContact O-N 3.13Å; E128-E249 PolarHBondContact N-OE1 2.62Å; E128-G294 VanDerWaalsContact OE1-CA 3.26Å; E128-G294 WeakPolarHBondContact OE1-CA 3.35Å; E128-G294 PolarHBondContact OE1-N 2.9Å; E128-G294 PolarHBondContact OE2-N 3.17Å; E128-Y296 HydrophobicContact CB-CD1 3.96Å; E128-Y296 HydrophobicContact CB-CE1 3.87Å; E128-Y296 HydrophobicContact CG-CE1 4.22Å; E128-Y296 VanDerWaalsContact OE1-CZ 3.31Å
129	S	91.7	Very high	88.4	Confident	87 Å²	87	45 Å²	45	61%	0.608	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-61.8	-23.4	174.1	58.8	0	0	0	0	114.5	S127 V131	S127-S129 PolarHBondContact O-N 3.25Å; S127-S129 PolarHBondContact OG-OG 2.95Å; S129-V131 PolarHBondContact O-N 3.01Å
130	E	90.6	Very high	88.2	Confident	63 Å²	63	50.7 Å²	50.7	29%	0.294	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-74.1	-16.9	175.1	-75.9	179.6	-108.4	0	0	112.6	F126 S127 E128 K167 K274	F126-E130 HydrophobicContact CB-CB 4.49Å; S127-E130 PolarHBondContact N-OE1 3.25Å; S127-E130 WeakPolarHBondContact O-CB 3.33Å; S127-E130 PolarHBondContact O-N 3.22Å; S127-E130 WeakPolarHBondContact OG-CG 3.44Å; S127-E130 PolarHBondContact OG-N 2.86Å; E128-E130 PolarHBondContact O-N 3.13Å; E130-K167 PolarHBondContact O-NZ 3.42Å; E130-K274 IonicContact OE1-NZ 2.55Å; E130-K274 PolarHBondContact OE1-NZ 2.95Å; E130-K274 IonicContact OE2-NZ 3.45Å
131	V	90.5	Very high	88.1	Confident	3 Å²	3	56 Å²	56	2%	0.018	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.1	-7.9	-173.8	-62.4	0	0	0	0	113.8	F126 E128 S129 G133 D134 L168 L171 W291	F126-V131 HydrophobicContact CD2-CG1 3.72Å; F126-V131 HydrophobicContact CD2-CG2 4.03Å; F126-V131 HydrophobicContact CE2-CG1 4.1Å; F126-V131 HydrophobicContact CE2-CG2 4.05Å; F126-V131 HydrophobicContact CG-CG1 4.49Å; E128-V131 CarbonylContact O-C 3.51Å; E128-V131 VanDerWaalsContact O-CG2 3.3Å; E128-V131 WeakPolarHBondContact O-CG2 3.44Å; E128-V131 PolarHBondContact O-N 3.39Å; S129-V131 PolarHBondContact O-N 3.01Å; V131-G133 PolarHBondContact O-N 3.46Å; V131-G133 VanDerWaalsContact O-N 3.08Å; V131-D134 WeakPolarHBondContact O-CB 3.37Å; V131-D134 PolarHBondContact O-N 2.69Å; V131-L168 HydrophobicContact CB-CB 4.38Å; V131-L168 HydrophobicContact CB-CD1 4.31Å; V131-L168 HydrophobicContact CG1-CB 4.22Å; V131-L168 HydrophobicContact CG1-CD1 4.09Å; V131-L168 HydrophobicContact CG2-CD1 4.28Å; V131-L171 HydrophobicContact CG1-CD1 3.83Å; V131-W291 HydrophobicContact CG2-CH2 4.45Å; V131-W291 HydrophobicContact CG2-CZ2 4.31Å
132	I	80.2	Confident	88	Confident	104 Å²	104	58.8 Å²	58.8	53%	0.533	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	110.4	177	-160.1	166.7	0	0	0	109.1	E128	E128-I132 WeakPolarHBondContact O-CB 3.29Å; E128-I132 PolarHBondContact O-N 3.13Å
133	G	76.2	Confident	87.9	Confident	69 Å²	69	59.4 Å²	59.4	71%	0.711	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.3	-5	-172.3	0	0	0	0	0	115.2	V131 S135 N138	V131-G133 PolarHBondContact O-N 3.46Å; V131-G133 VanDerWaalsContact O-N 3.08Å; G133-S135 PolarHBondContact O-N 3.34Å; G133-S135 VanDerWaalsContact O-N 3.15Å; G133-N138 PolarHBondContact O-ND2 2.79Å
134	D	75.8	Confident	87.9	Confident	30 Å²	30	57.7 Å²	57.7	16%	0.16	32%	0.317	C	S	.	.			trans	-78.2	94.7	166.2	-169.1	50.6	0	0	0	109.1	V131 K167 L168	V131-D134 WeakPolarHBondContact O-CB 3.37Å; V131-D134 PolarHBondContact O-N 2.69Å; D134-K167 VanDerWaalsContact OD2-CA 3.28Å; D134-K167 WeakPolarHBondContact OD2-CA 2.97Å; D134-K167 VanDerWaalsContact OD2-CB 3.22Å; D134-K167 WeakPolarHBondContact OD2-CB 3.5Å; D134-K167 PolarHBondContact OD2-N 2.79Å; D134-L168 PolarHBondContact OD2-N 3.02Å
135	S	70.5	Confident	87.9	Confident	44 Å²	44	62.3 Å²	62.3	31%	0.308	34%	0.342	S	S	.	.			trans	-75.6	156.9	172.4	67.4	0	0	0	0	110.2	G133 E137 N138	G133-S135 PolarHBondContact O-N 3.34Å; G133-S135 VanDerWaalsContact O-N 3.15Å; S135-E137 PolarHBondContact O-N 2.83Å; S135-E137 PolarHBondContact OG-N 3.14Å; S135-N138 PolarHBondContact O-N 2.88Å; S135-N138 PolarHBondContact OG-N 2.97Å
136	S	71.6	Confident	88	Confident	97 Å²	97	66.9 Å²	66.9	68%	0.678	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-11.9	169.1	51.1	0	0	0	0	113.4
137	E	75.3	Confident	88.1	Confident	162 Å²	162	66.8 Å²	66.8	76%	0.757	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-21.3	177.4	-56.7	178.2	165.7	0	0	112.4	S135 I139	S135-E137 PolarHBondContact O-N 2.83Å; S135-E137 PolarHBondContact OG-N 3.14Å; E137-I139 VanDerWaalsContact C-N 3.25Å; E137-I139 PolarHBondContact O-N 2.9Å
138	N	85.2	Confident	88.1	Confident	86 Å²	86	68.3 Å²	68.3	46%	0.46	37%	0.367	S	S	.	.			trans	-80.5	69.6	178.1	-73.7	-24.4	0	0	0	111.3	G133 S135	G133-N138 PolarHBondContact O-ND2 2.79Å; S135-N138 PolarHBondContact O-N 2.88Å; S135-N138 PolarHBondContact OG-N 2.97Å
139	I	90.4	Very high	88.2	Confident	70 Å²	70	72.6 Å²	72.6	36%	0.359	40%	0.398	S	S	.	.			trans	-74.4	135.7	-177.9	60.3	170.5	0	0	0	112.7	E137 E162	E137-I139 VanDerWaalsContact C-N 3.25Å; E137-I139 PolarHBondContact O-N 2.9Å; I139-E162 HydrophobicContact CD1-CB 4.14Å
140	R	93.9	Very high	88.1	Confident	119 Å²	119	72.8 Å²	72.8	45%	0.449	40%	0.395	S	S	.	.	B	Isolated β-bridge	trans	-116.8	108.9	-176.7	-68.7	-71.1	-59.2	-114.1	-4.3	110.9	D142 L143 Y144 V165	R140-D142 VanDerWaalsContact C-N 3.32Å; R140-D142 WeakPolarHBondContact CB-OD1 3.43Å; R140-D142 IonicContact CZ-OD1 3.73Å; R140-D142 IonicContact CZ-OD2 2.66Å; R140-D142 IonicContact NE-OD1 3.86Å; R140-D142 PolarHBondContact NE-OD1 2.71Å; R140-D142 IonicContact NE-OD2 2.71Å; R140-D142 VanDerWaalsContact NH2-CG 3.34Å; R140-D142 IonicContact NH2-OD1 2.78Å; R140-D142 PolarHBondContact NH2-OD1 3.38Å; R140-D142 IonicContact NH2-OD2 3.97Å; R140-D142 PolarHBondContact NH2-OD2 3.46Å; R140-D142 PolarHBondContact O-N 2.66Å; R140-L143 HydrophobicContact CB-CB 3.96Å; R140-L143 HydrophobicContact CB-CD1 3.83Å; R140-L143 HydrophobicContact CB-CG 3.8Å; R140-L143 HydrophobicContact CG-CD1 4.06Å; R140-L143 HydrophobicContact CG-CG 4.45Å; R140-L143 PolarHBondContact O-N 3.13Å; R140-Y144 PolarHBondContact O-N 3.34Å; R140-Y144 VanDerWaalsContact O-N 3.16Å; R140-V165 WeakPolarHBondContact CB-O 3.39Å; R140-V165 PolarHBondContact N-O 2.87Å; R140-V165 PolarHBondContact O-N 3.37Å
141	K	95.5	Very high	88.2	Confident	146 Å²	146	71.9 Å²	71.9	64%	0.635	40%	0.396	S	S	*	.	H	α-helix	trans	-62.4	-37.7	178.2	-63	-173.1	176.7	176.2	0	112.5	Y144 L145 K163	K141-Y144 PolarHBondContact O-N 3.4Å; K141-L145 WeakPolarHBondContact O-CG 3.34Å; K141-L145 PolarHBondContact O-N 3.33Å; K141-K163 WeakPolarHBondContact CA-O 3.29Å; K141-K163 WeakPolarHBondContact CG-O 3.36Å
142	D	96.1	Very high	88.3	Confident	60 Å²	60	75.7 Å²	75.7	32%	0.321	42%	0.42	S	S	.	.	H	α-helix	trans	-66.2	-37.5	179.7	63.6	-53.7	0	0	0	112.9	R140 K146	R140-D142 VanDerWaalsContact C-N 3.32Å; R140-D142 WeakPolarHBondContact CB-OD1 3.43Å; R140-D142 IonicContact CZ-OD1 3.73Å; R140-D142 IonicContact CZ-OD2 2.66Å; R140-D142 IonicContact NE-OD1 3.86Å; R140-D142 PolarHBondContact NE-OD1 2.71Å; R140-D142 IonicContact NE-OD2 2.71Å; R140-D142 VanDerWaalsContact NH2-CG 3.34Å; R140-D142 IonicContact NH2-OD1 2.78Å; R140-D142 PolarHBondContact NH2-OD1 3.38Å; R140-D142 IonicContact NH2-OD2 3.97Å; R140-D142 PolarHBondContact NH2-OD2 3.46Å; R140-D142 PolarHBondContact O-N 2.66Å; D142-K146 WeakPolarHBondContact O-CG 3.26Å; D142-K146 PolarHBondContact O-N 3.4Å
143	L	95.3	Very high	89	Confident	15 Å²	15	77.8 Å²	77.8	8%	0.079	43%	0.433	C	S	.	.	H	α-helix	trans	-72	-38	176.1	-63.5	-174.4	0	0	0	111.8	R140 K146 M147 V165 K167 Y170	R140-L143 HydrophobicContact CB-CB 3.96Å; R140-L143 HydrophobicContact CB-CD1 3.83Å; R140-L143 HydrophobicContact CB-CG 3.8Å; R140-L143 HydrophobicContact CG-CD1 4.06Å; R140-L143 HydrophobicContact CG-CG 4.45Å; R140-L143 PolarHBondContact O-N 3.13Å; L143-K146 PolarHBondContact O-N 3.28Å; L143-M147 WeakPolarHBondContact O-CB 3.36Å; L143-M147 PolarHBondContact O-N 3.41Å; L143-V165 HydrophobicContact CB-CG2 3.69Å; L143-K167 HydrophobicContact CD1-CB 4.01Å; L143-K167 HydrophobicContact CD1-CG 4.18Å; L143-Y170 HydrophobicContact CB-CD2 3.84Å; L143-Y170 HydrophobicContact CB-CE2 4.43Å; L143-Y170 HydrophobicContact CB-CG 3.91Å; L143-Y170 HydrophobicContact CD1-CD1 4.21Å; L143-Y170 HydrophobicContact CD1-CG 4.08Å; L143-Y170 HydrophobicContact CD2-CD1 3.88Å; L143-Y170 HydrophobicContact CD2-CD2 4.33Å; L143-Y170 HydrophobicContact CD2-CE1 3.96Å; L143-Y170 HydrophobicContact CD2-CE2 4.39Å; L143-Y170 HydrophobicContact CD2-CG 4.08Å; L143-Y170 HydrophobicContact CG-CD1 4.45Å; L143-Y170 HydrophobicContact CG-CG 4.24Å; L143-Y170 WeakPolarHBondContact O-CD2 3.48Å
144	Y	96.6	Very high	89.8	Confident	21 Å²	21	75.5 Å²	75.5	8%	0.082	41%	0.407	C	S	.	.	H	α-helix	trans	-60.2	-48.6	173.5	166.8	-99	0	0	0	111.2	R140 K141 K146 M147 I148 P155 H160 K163 V165	R140-Y144 PolarHBondContact O-N 3.34Å; R140-Y144 VanDerWaalsContact O-N 3.16Å; K141-Y144 PolarHBondContact O-N 3.4Å; Y144-K146 VanDerWaalsContact C-N 3.29Å; Y144-K146 PolarHBondContact O-N 3.39Å; Y144-M147 WeakPolarHBondContact O-CB 3.32Å; Y144-M147 PolarHBondContact O-N 2.69Å; Y144-I148 HydrophobicContact CD1-CD1 4.4Å; Y144-I148 HydrophobicContact CD2-CG2 4.16Å; Y144-I148 HydrophobicContact CE1-CD1 3.75Å; Y144-I148 HydrophobicContact CE1-CG2 4.31Å; Y144-I148 HydrophobicContact CE2-CG2 3.61Å; Y144-I148 WeakPolarHBondContact O-CG1 3.43Å; Y144-I148 PolarHBondContact O-N 3.18Å; Y144-P155 HydrophobicContact CD2-CB 4.3Å; Y144-P155 HydrophobicContact CD2-CG 4.06Å; Y144-P155 HydrophobicContact CE2-CB 4.04Å; Y144-P155 HydrophobicContact CE2-CG 3.82Å; Y144-H160 AromaticContact CE2-ND1 3.68Å; Y144-H160 AromaticContact CZ-ND1 3.74Å; Y144-H160 PolarHBondContact OH-ND1 3.31Å; Y144-K163 HydrophobicContact CD1-CB 4.17Å; Y144-K163 WeakPolarHBondContact CD1-O 3.28Å; Y144-K163 HydrophobicContact CE1-CB 4Å; Y144-K163 HydrophobicContact CE1-CG 4.32Å; Y144-V165 HydrophobicContact CD2-CG1 4.23Å
145	L	96.8	Very high	90.8	Very high	106 Å²	106	74.6 Å²	74.6	56%	0.555	40%	0.403	S	S	*	.	H	α-helix	trans	-57.8	-40.7	177.6	-71	176	0	0	0	112.2	K141 I148 S149	K141-L145 WeakPolarHBondContact O-CG 3.34Å; K141-L145 PolarHBondContact O-N 3.33Å; L145-I148 HydrophobicContact CD2-CD1 4.11Å; L145-I148 WeakPolarHBondContact O-CG1 3.4Å; L145-S149 WeakPolarHBondContact O-CB 3.49Å; L145-S149 PolarHBondContact O-N 2.85Å; L145-S149 VanDerWaalsContact O-N 3.07Å; L145-S149 PolarHBondContact O-OG 3.22Å
146	K	94.8	Very high	91.9	Very high	105 Å²	105	75.8 Å²	75.8	46%	0.457	41%	0.408	S	S	.	.	H	α-helix	trans	-63.9	-44.5	173.6	-73.1	172.5	-178.7	171.2	0	111.9	D142 L143 Y144 S149 T150 Y170	D142-K146 WeakPolarHBondContact O-CG 3.26Å; D142-K146 PolarHBondContact O-N 3.4Å; L143-K146 PolarHBondContact O-N 3.28Å; Y144-K146 VanDerWaalsContact C-N 3.29Å; Y144-K146 PolarHBondContact O-N 3.39Å; K146-S149 PolarHBondContact O-N 3.22Å; K146-S149 PolarHBondContact O-OG 3.44Å; K146-T150 PolarHBondContact O-N 3.03Å; K146-T150 PolarHBondContact O-OG1 2.96Å; K146-Y170 HydrophobicContact CB-CE2 3.89Å
147	M	94.6	Very high	93.1	Very high	0 Å²	0	79.5 Å²	79.5	0%	0	42%	0.415	C	S	.	.	H	α-helix	trans	-58.8	-52.9	179	-173.7	176.3	-68.6	0	0	111.4	L143 Y144 S149 T150 S151 A154 P155 V165 Y170 W173	L143-M147 WeakPolarHBondContact O-CB 3.36Å; L143-M147 PolarHBondContact O-N 3.41Å; Y144-M147 WeakPolarHBondContact O-CB 3.32Å; Y144-M147 PolarHBondContact O-N 2.69Å; M147-S149 VanDerWaalsContact C-N 3.29Å; M147-S149 PolarHBondContact O-N 2.87Å; M147-T150 PolarHBondContact O-N 3.21Å; M147-T150 VanDerWaalsContact O-N 3.12Å; M147-S151 PolarHBondContact O-N 2.97Å; M147-A154 HydrophobicContact CG-CB 3.93Å; M147-A154 HydrophobicContact SD-CB 4.16Å; M147-P155 HydrophobicContact CG-CG 4.11Å; M147-P155 HydrophobicContact SD-CB 4.35Å; M147-P155 HydrophobicContact SD-CG 3.81Å; M147-V165 HydrophobicContact CE-CG1 4.3Å; M147-V165 HydrophobicContact CE-CG2 4.33Å; M147-V165 HydrophobicContact SD-CG1 4.2Å; M147-Y170 HydrophobicContact CB-CD2 4.36Å; M147-Y170 HydrophobicContact CE-CD2 4.07Å; M147-W173 HydrophobicContact CB-CE3 4.27Å; M147-W173 HydrophobicContact CB-CH2 4.24Å; M147-W173 HydrophobicContact CB-CZ3 4.06Å; M147-W173 HydrophobicContact CE-CB 3.63Å; M147-W173 HydrophobicContact CE-CD2 3.7Å; M147-W173 HydrophobicContact CE-CE3 3.68Å; M147-W173 HydrophobicContact CE-CG 3.69Å; M147-W173 HydrophobicContact CG-CD2 3.73Å; M147-W173 HydrophobicContact CG-CE3 3.83Å; M147-W173 HydrophobicContact CG-CG 4.37Å; M147-W173 HydrophobicContact CG-CH2 3.99Å; M147-W173 HydrophobicContact CG-CZ2 3.9Å; M147-W173 HydrophobicContact CG-CZ3 3.95Å; M147-W173 HydrophobicContact SD-CD2 4.15Å; M147-W173 HydrophobicContact SD-CE3 4.46Å; M147-W173 HydrophobicContact SD-CG 4.2Å
148	I	96.2	Very high	94	Very high	44 Å²	44	79.9 Å²	79.9	23%	0.226	41%	0.41	C	S	.	.	H	α-helix	trans	-67.4	-28.1	-179.8	63.8	172.3	0	0	0	113.4	Y144 L145 T150 P152 P155	Y144-I148 HydrophobicContact CD1-CD1 4.4Å; Y144-I148 HydrophobicContact CD2-CG2 4.16Å; Y144-I148 HydrophobicContact CE1-CD1 3.75Å; Y144-I148 HydrophobicContact CE1-CG2 4.31Å; Y144-I148 HydrophobicContact CE2-CG2 3.61Å; Y144-I148 WeakPolarHBondContact O-CG1 3.43Å; Y144-I148 PolarHBondContact O-N 3.18Å; L145-I148 HydrophobicContact CD2-CD1 4.11Å; L145-I148 WeakPolarHBondContact O-CG1 3.4Å; I148-T150 PolarHBondContact O-N 3.22Å; I148-P152 WeakPolarHBondContact O-CD 3.43Å; I148-P152 WeakPolarHBondContact O-CG 3.39Å; I148-P155 HydrophobicContact CG2-CG 3.55Å
149	S	93.9	Very high	94.5	Very high	94 Å²	94	76.9 Å²	76.9	66%	0.657	39%	0.393	S	S	*	.	H	α-helix	trans	-66.4	-23.6	176	73.1	0	0	0	0	112.7	L145 K146 M147	L145-S149 WeakPolarHBondContact O-CB 3.49Å; L145-S149 PolarHBondContact O-N 2.85Å; L145-S149 VanDerWaalsContact O-N 3.07Å; L145-S149 PolarHBondContact O-OG 3.22Å; K146-S149 PolarHBondContact O-N 3.22Å; K146-S149 PolarHBondContact O-OG 3.44Å; M147-S149 VanDerWaalsContact C-N 3.29Å; M147-S149 PolarHBondContact O-N 2.87Å
150	T	90.3	Very high	94.8	Very high	90 Å²	90	76.6 Å²	76.6	55%	0.552	39%	0.39	S	S	*	.	H	α-helix	trans	-99	-44.9	179.1	-53.2	0	0	0	0	111.2	K146 M147 I148 W173 I177	K146-T150 PolarHBondContact O-N 3.03Å; K146-T150 PolarHBondContact O-OG1 2.96Å; M147-T150 PolarHBondContact O-N 3.21Å; M147-T150 VanDerWaalsContact O-N 3.12Å; I148-T150 PolarHBondContact O-N 3.22Å; T150-W173 HydrophobicContact CG2-CH2 3.93Å; T150-W173 HydrophobicContact CG2-CZ2 4.08Å; T150-I177 HydrophobicContact CG2-CD1 4.29Å
151	S	92.1	Very high	94.8	Very high	45 Å²	45	78.9 Å²	78.9	32%	0.315	41%	0.405	S	S	.	.			trans	-142.8	100	177	-177.9	0	0	0	0	109.7	M147 N153 A154	M147-S151 PolarHBondContact O-N 2.97Å; S151-N153 PolarHBondContact O-N 3.04Å; S151-N153 VanDerWaalsContact O-N 3.13Å; S151-A154 WeakPolarHBondContact O-CB 3.21Å; S151-A154 PolarHBondContact O-N 3.31Å; S151-A154 VanDerWaalsContact O-N 3.1Å
152	P	93.7	Very high	94.7	Very high	82 Å²	82	74.9 Å²	74.9	53%	0.532	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-28.4	-178.3	-27.8	34.9	0	0	0	114.1	I148 H160	I148-P152 WeakPolarHBondContact O-CD 3.43Å; I148-P152 WeakPolarHBondContact O-CG 3.39Å; P152-H160 PolarHBondContact O-CE1 3.35Å; P152-H160 PolarHBondContact O-NE2 2.9Å
153	N	93.9	Very high	94.7	Very high	148 Å²	148	78.5 Å²	78.5	79%	0.791	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	4.1	-177	-59.4	-20.6	0	0	0	113.3	S151	S151-N153 PolarHBondContact O-N 3.04Å; S151-N153 VanDerWaalsContact O-N 3.13Å
154	A	93.9	Very high	94.7	Very high	22 Å²	22	77.8 Å²	77.8	18%	0.182	40%	0.398	C	S	.	.	S	Bend	trans	-72.4	-36.2	179.9	0	0	0	0	0	114.7	M147 S151 R169 W173	M147-A154 HydrophobicContact CG-CB 3.93Å; M147-A154 HydrophobicContact SD-CB 4.16Å; S151-A154 WeakPolarHBondContact O-CB 3.21Å; S151-A154 PolarHBondContact O-N 3.31Å; S151-A154 VanDerWaalsContact O-N 3.1Å; A154-R169 PolarHBondContact O-NH2 3.24Å; A154-W173 HydrophobicContact CB-CZ2 4.33Å
155	P	95.4	Very high	94.6	Very high	10 Å²	10	76.9 Å²	76.9	7%	0.065	39%	0.394	C	S	.	.	S	Bend	trans	-69.7	153.9	174	-16.3	30.2	0	0	0	112.5	Y144 M147 I148 E159	Y144-P155 HydrophobicContact CD2-CB 4.3Å; Y144-P155 HydrophobicContact CD2-CG 4.06Å; Y144-P155 HydrophobicContact CE2-CB 4.04Å; Y144-P155 HydrophobicContact CE2-CG 3.82Å; M147-P155 HydrophobicContact CG-CG 4.11Å; M147-P155 HydrophobicContact SD-CB 4.35Å; M147-P155 HydrophobicContact SD-CG 3.81Å; I148-P155 HydrophobicContact CG2-CG 3.55Å; P155-E159 WeakPolarHBondContact CA-OE2 2.88Å; P155-E159 HydrophobicContact CB-CB 3.75Å
156	T	95.2	Very high	94.4	Very high	69 Å²	69	72.6 Å²	72.6	42%	0.423	37%	0.373	S	S	.	.			trans	-72.9	164.2	170	66.6	0	0	0	0	111.1	R158 E159 H160	T156-R158 PolarHBondContact O-N 2.82Å; T156-E159 PolarHBondContact N-OE2 3.27Å; T156-E159 PolarHBondContact O-N 2.87Å; T156-E159 VanDerWaalsContact O-N 3.08Å; T156-E159 VanDerWaalsContact OG1-CG 3.27Å; T156-E159 WeakPolarHBondContact OG1-CG 3.42Å; T156-E159 PolarHBondContact OG1-N 3.37Å; T156-E159 PolarHBondContact OG1-OE2 3.01Å; T156-H160 PolarHBondContact O-CD2 2.61Å; T156-H160 PolarHBondContact O-N 2.87Å
157	E	95.3	Very high	94.3	Very high	176 Å²	176	71.2 Å²	71.2	82%	0.822	37%	0.367	S	S	*	.	H	α-helix	trans	-54.7	-39	174.5	-64.6	-178.3	174.3	0	0	112.4	H160 H161	E157-H160 PolarHBondContact O-N 2.85Å; E157-H161 WeakPolarHBondContact O-CB 3.38Å; E157-H161 PolarHBondContact O-N 3.14Å
158	R	93.9	Very high	94.2	Very high	169 Å²	169	72.4 Å²	72.4	64%	0.638	37%	0.374	S	S	*	.	H	α-helix	trans	-64	-46.9	175.2	-178.2	179.8	175	177.6	-1.4	112	T156 H160 H161 E162	T156-R158 PolarHBondContact O-N 2.82Å; R158-H160 VanDerWaalsContact C-N 3.28Å; R158-H160 PolarHBondContact O-N 2.55Å; R158-H161 WeakPolarHBondContact O-CB 3.37Å; R158-H161 PolarHBondContact O-N 3.48Å; R158-H161 VanDerWaalsContact O-N 3.13Å; R158-E162 HydrophobicContact CG-CG 4.4Å; R158-E162 IonicContact CZ-OE1 2.67Å; R158-E162 IonicContact NE-OE1 3.2Å; R158-E162 PolarHBondContact NE-OE1 2.97Å; R158-E162 IonicContact NE-OE2 3.04Å; R158-E162 IonicContact NH2-OE1 2.83Å; R158-E162 PolarHBondContact NH2-OE1 3.18Å; R158-E162 WeakPolarHBondContact O-CB 3.3Å; R158-E162 WeakPolarHBondContact O-CG 3.48Å; R158-E162 PolarHBondContact O-N 3.26Å
159	E	95.9	Very high	94.1	Very high	23 Å²	23	73 Å²	73	11%	0.107	37%	0.373	C	S	.	.	H	α-helix	trans	-63.5	-35.4	178.8	-70.2	166.6	163.7	0	0	111.6	P155 T156 K163 G164 V165 R169	P155-E159 WeakPolarHBondContact CA-OE2 2.88Å; P155-E159 HydrophobicContact CB-CB 3.75Å; T156-E159 PolarHBondContact N-OE2 3.27Å; T156-E159 PolarHBondContact O-N 2.87Å; T156-E159 VanDerWaalsContact O-N 3.08Å; T156-E159 VanDerWaalsContact OG1-CG 3.27Å; T156-E159 WeakPolarHBondContact OG1-CG 3.42Å; T156-E159 PolarHBondContact OG1-N 3.37Å; T156-E159 PolarHBondContact OG1-OE2 3.01Å; E159-K163 VanDerWaalsContact O-CA 3.31Å; E159-K163 WeakPolarHBondContact O-CA 3.44Å; E159-K163 PolarHBondContact O-N 3.01Å; E159-G164 PolarHBondContact O-N 2.79Å; E159-V165 HydrophobicContact CB-CG1 3.97Å; E159-V165 HydrophobicContact CG-CG1 3.87Å; E159-R169 WeakPolarHBondContact OE1-CD 3.48Å; E159-R169 WeakPolarHBondContact OE1-CG 3.44Å; E159-R169 IonicContact OE1-CZ 3.79Å; E159-R169 IonicContact OE1-NE 3.99Å; E159-R169 PolarHBondContact OE1-NE 2.95Å; E159-R169 IonicContact OE1-NH2 2.85Å; E159-R169 IonicContact OE2-CZ 3.28Å; E159-R169 IonicContact OE2-NE 2.84Å; E159-R169 IonicContact OE2-NH2 2.83Å; E159-R169 PolarHBondContact OE2-NH2 3.42Å; E159-R169 VanDerWaalsContact OE2-NH2 3.15Å
160	H	96.6	Very high	94.1	Very high	65 Å²	65	70.4 Å²	70.4	30%	0.301	35%	0.349	S	S	.	.	H	α-helix	trans	-64.4	-43.8	171	-81.2	-56.8	0	0	0	112.6	Y144 P152 T156 E157 R158 K163	Y144-H160 AromaticContact CE2-ND1 3.68Å; Y144-H160 AromaticContact CZ-ND1 3.74Å; Y144-H160 PolarHBondContact OH-ND1 3.31Å; P152-H160 PolarHBondContact O-CE1 3.35Å; P152-H160 PolarHBondContact O-NE2 2.9Å; T156-H160 PolarHBondContact O-CD2 2.61Å; T156-H160 PolarHBondContact O-N 2.87Å; E157-H160 PolarHBondContact O-N 2.85Å; R158-H160 VanDerWaalsContact C-N 3.28Å; R158-H160 PolarHBondContact O-N 2.55Å; H160-K163 WeakPolarHBondContact O-CG 3.34Å; H160-K163 PolarHBondContact O-N 3.48Å
161	H	94.9	Very high	94.2	Very high	167 Å²	167	66.7 Å²	66.7	77%	0.773	33%	0.326	S	S	*	.	H	α-helix	trans	-63.5	-47.6	177.4	-176.8	80	0	0	0	111.8	E157 R158 K163	E157-H161 WeakPolarHBondContact O-CB 3.38Å; E157-H161 PolarHBondContact O-N 3.14Å; R158-H161 WeakPolarHBondContact O-CB 3.37Å; R158-H161 PolarHBondContact O-N 3.48Å; R158-H161 VanDerWaalsContact O-N 3.13Å; H161-K163 VanDerWaalsContact C-N 3.26Å; H161-K163 PolarHBondContact O-N 3.44Å
162	E	93.8	Very high	94.3	Very high	62 Å²	62	68.4 Å²	68.4	29%	0.29	33%	0.329	S	S	.	.	H	α-helix	trans	-74.8	-15.2	179.6	-67.6	176.8	177.9	0	0	112.8	I139 R158 G164	I139-E162 HydrophobicContact CD1-CB 4.14Å; R158-E162 HydrophobicContact CG-CG 4.4Å; R158-E162 IonicContact CZ-OE1 2.67Å; R158-E162 IonicContact NE-OE1 3.2Å; R158-E162 PolarHBondContact NE-OE1 2.97Å; R158-E162 IonicContact NE-OE2 3.04Å; R158-E162 IonicContact NH2-OE1 2.83Å; R158-E162 PolarHBondContact NH2-OE1 3.18Å; R158-E162 WeakPolarHBondContact O-CB 3.3Å; R158-E162 WeakPolarHBondContact O-CG 3.48Å; R158-E162 PolarHBondContact O-N 3.26Å; E162-G164 PolarHBondContact O-N 3.01Å
163	K	95.3	Very high	94.3	Very high	136 Å²	136	65.5 Å²	65.5	59%	0.591	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	39.7	-173.2	-60.4	-177.5	179.2	179.5	0	112.1	K141 Y144 E159 H160 H161	K141-K163 WeakPolarHBondContact CA-O 3.29Å; K141-K163 WeakPolarHBondContact CG-O 3.36Å; Y144-K163 HydrophobicContact CD1-CB 4.17Å; Y144-K163 WeakPolarHBondContact CD1-O 3.28Å; Y144-K163 HydrophobicContact CE1-CB 4Å; Y144-K163 HydrophobicContact CE1-CG 4.32Å; E159-K163 VanDerWaalsContact O-CA 3.31Å; E159-K163 WeakPolarHBondContact O-CA 3.44Å; E159-K163 PolarHBondContact O-N 3.01Å; H160-K163 WeakPolarHBondContact O-CG 3.34Å; H160-K163 PolarHBondContact O-N 3.48Å; H161-K163 VanDerWaalsContact C-N 3.26Å; H161-K163 PolarHBondContact O-N 3.44Å
164	G	94.8	Very high	94.1	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	29%	0.286	C	S	.	.			trans	-156.8	150.3	-172.5	0	0	0	0	0	111.7	E159 E162	E159-G164 PolarHBondContact O-N 2.79Å; E162-G164 PolarHBondContact O-N 3.01Å
165	V	94.6	Very high	94	Very high	1 Å²	1	62 Å²	62	1%	0.006	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-134.8	150.2	172.8	-62.6	0	0	0	0	108.5	R140 L143 Y144 M147 E159 R169	R140-V165 WeakPolarHBondContact CB-O 3.39Å; R140-V165 PolarHBondContact N-O 2.87Å; R140-V165 PolarHBondContact O-N 3.37Å; L143-V165 HydrophobicContact CB-CG2 3.69Å; Y144-V165 HydrophobicContact CD2-CG1 4.23Å; M147-V165 HydrophobicContact CE-CG1 4.3Å; M147-V165 HydrophobicContact CE-CG2 4.33Å; M147-V165 HydrophobicContact SD-CG1 4.2Å; E159-V165 HydrophobicContact CB-CG1 3.97Å; E159-V165 HydrophobicContact CG-CG1 3.87Å; V165-R169 HydrophobicContact CB-CG 4.29Å
166	S	92.9	Very high	93.8	Very high	16 Å²	16	65 Å²	65	11%	0.112	30%	0.297	C	S	.	.			trans	-68.4	160.6	170.6	72	0	0	0	0	110.9	R169 Y170	S166-R169 PolarHBondContact O-N 3.49Å; S166-R169 WeakPolarHBondContact OG-CB 3.46Å; S166-R169 PolarHBondContact OG-N 2.96Å; S166-Y170 PolarHBondContact O-N 3.43Å
167	K	92.8	Very high	93.4	Very high	76 Å²	76	63.9 Å²	63.9	33%	0.33	29%	0.288	S	S	.	.	H	α-helix	trans	-64.9	-42.5	177.9	-176	-170.5	177.1	-166.6	0	110.8	E130 D134 L143 Y170 L171	E130-K167 PolarHBondContact O-NZ 3.42Å; D134-K167 VanDerWaalsContact OD2-CA 3.28Å; D134-K167 WeakPolarHBondContact OD2-CA 2.97Å; D134-K167 VanDerWaalsContact OD2-CB 3.22Å; D134-K167 WeakPolarHBondContact OD2-CB 3.5Å; D134-K167 PolarHBondContact OD2-N 2.79Å; L143-K167 HydrophobicContact CD1-CB 4.01Å; L143-K167 HydrophobicContact CD1-CG 4.18Å; K167-Y170 PolarHBondContact O-N 2.96Å; K167-L171 HydrophobicContact CG-CD1 3.95Å; K167-L171 HydrophobicContact CG-CG 4.44Å; K167-L171 WeakPolarHBondContact O-CB 3.35Å; K167-L171 VanDerWaalsContact O-CG 3.25Å; K167-L171 WeakPolarHBondContact O-CG 3.15Å; K167-L171 PolarHBondContact O-N 3.47Å
168	L	92.9	Very high	93	Very high	25 Å²	25	55.8 Å²	55.8	13%	0.131	25%	0.251	C	S	.	.	H	α-helix	trans	-57.6	-50.5	176.3	173.7	57.3	0	0	0	111	F126 V131 D134 Y170 L171 Q172 W291 I293	F126-L168 HydrophobicContact CE2-CD1 3.54Å; F126-L168 HydrophobicContact CZ-CD1 3.63Å; V131-L168 HydrophobicContact CB-CB 4.38Å; V131-L168 HydrophobicContact CB-CD1 4.31Å; V131-L168 HydrophobicContact CG1-CB 4.22Å; V131-L168 HydrophobicContact CG1-CD1 4.09Å; V131-L168 HydrophobicContact CG2-CD1 4.28Å; D134-L168 PolarHBondContact OD2-N 3.02Å; L168-Y170 VanDerWaalsContact C-N 3.32Å; L168-Y170 PolarHBondContact O-N 3.45Å; L168-L171 PolarHBondContact O-N 3.31Å; L168-Q172 HydrophobicContact CD1-CG 3.95Å; L168-Q172 HydrophobicContact CG-CG 4.48Å; L168-Q172 WeakPolarHBondContact O-CG 3.33Å; L168-Q172 PolarHBondContact O-N 3.31Å; L168-W291 HydrophobicContact CD1-CH2 3.54Å; L168-W291 HydrophobicContact CD1-CZ3 3.86Å; L168-W291 HydrophobicContact CD2-CH2 4.16Å; L168-I293 HydrophobicContact CD2-CD1 4.25Å
169	R	93.2	Very high	93.1	Very high	58 Å²	58	47.8 Å²	47.8	22%	0.219	22%	0.221	C	C	.	.	H	α-helix	trans	-58.3	-43.5	178.5	170	61.1	178	113.2	8.7	112.5	A154 E159 V165 S166 W173	A154-R169 PolarHBondContact O-NH2 3.24Å; E159-R169 WeakPolarHBondContact OE1-CD 3.48Å; E159-R169 WeakPolarHBondContact OE1-CG 3.44Å; E159-R169 IonicContact OE1-CZ 3.79Å; E159-R169 IonicContact OE1-NE 3.99Å; E159-R169 PolarHBondContact OE1-NE 2.95Å; E159-R169 IonicContact OE1-NH2 2.85Å; E159-R169 IonicContact OE2-CZ 3.28Å; E159-R169 IonicContact OE2-NE 2.84Å; E159-R169 IonicContact OE2-NH2 2.83Å; E159-R169 PolarHBondContact OE2-NH2 3.42Å; E159-R169 VanDerWaalsContact OE2-NH2 3.15Å; V165-R169 HydrophobicContact CB-CG 4.29Å; S166-R169 PolarHBondContact O-N 3.49Å; S166-R169 WeakPolarHBondContact OG-CB 3.46Å; S166-R169 PolarHBondContact OG-N 2.96Å; R169-W173 WeakPolarHBondContact O-CB 3.35Å; R169-W173 PolarHBondContact O-N 2.91Å
170	Y	94	Very high	93.1	Very high	39 Å²	39	46.9 Å²	46.9	15%	0.153	22%	0.216	C	C	.	.	H	α-helix	trans	-62.4	-45.2	175.6	174.1	-94.1	0	0	0	112.3	L143 K146 M147 S166 K167 L168 W173 R174	L143-Y170 HydrophobicContact CB-CD2 3.84Å; L143-Y170 HydrophobicContact CB-CE2 4.43Å; L143-Y170 HydrophobicContact CB-CG 3.91Å; L143-Y170 HydrophobicContact CD1-CD1 4.21Å; L143-Y170 HydrophobicContact CD1-CG 4.08Å; L143-Y170 HydrophobicContact CD2-CD1 3.88Å; L143-Y170 HydrophobicContact CD2-CD2 4.33Å; L143-Y170 HydrophobicContact CD2-CE1 3.96Å; L143-Y170 HydrophobicContact CD2-CE2 4.39Å; L143-Y170 HydrophobicContact CD2-CG 4.08Å; L143-Y170 HydrophobicContact CG-CD1 4.45Å; L143-Y170 HydrophobicContact CG-CG 4.24Å; L143-Y170 WeakPolarHBondContact O-CD2 3.48Å; K146-Y170 HydrophobicContact CB-CE2 3.89Å; M147-Y170 HydrophobicContact CB-CD2 4.36Å; M147-Y170 HydrophobicContact CE-CD2 4.07Å; S166-Y170 PolarHBondContact O-N 3.43Å; K167-Y170 PolarHBondContact O-N 2.96Å; L168-Y170 VanDerWaalsContact C-N 3.32Å; L168-Y170 PolarHBondContact O-N 3.45Å; Y170-W173 HydrophobicContact CD2-CE3 4.15Å; Y170-W173 HydrophobicContact CD2-CZ3 4.25Å; Y170-W173 HydrophobicContact CE2-CE3 4.17Å; Y170-W173 AromaticContact CE2-CZ3 3.83Å; Y170-W173 HydrophobicContact CE2-CZ3 3.83Å; Y170-W173 PolarHBondContact O-N 3.07Å; Y170-R174 PolarHBondContact O-N 2.85Å
171	L	93.3	Very high	93.1	Very high	11 Å²	11	45.3 Å²	45.3	6%	0.058	22%	0.215	C	C	.	.	H	α-helix	trans	-66	-42.2	-179.4	-70	168.9	0	0	0	111.8	F126 V131 K167 L168 R174 D175	F126-L171 HydrophobicContact CB-CD1 3.78Å; F126-L171 HydrophobicContact CD1-CB 3.56Å; F126-L171 HydrophobicContact CD1-CD1 4.25Å; F126-L171 HydrophobicContact CD1-CG 4.39Å; F126-L171 HydrophobicContact CD2-CD1 4.4Å; F126-L171 HydrophobicContact CE1-CB 3.86Å; F126-L171 HydrophobicContact CG-CB 4.08Å; F126-L171 HydrophobicContact CG-CD1 3.89Å; V131-L171 HydrophobicContact CG1-CD1 3.83Å; K167-L171 HydrophobicContact CG-CD1 3.95Å; K167-L171 HydrophobicContact CG-CG 4.44Å; K167-L171 WeakPolarHBondContact O-CB 3.35Å; K167-L171 VanDerWaalsContact O-CG 3.25Å; K167-L171 WeakPolarHBondContact O-CG 3.15Å; K167-L171 PolarHBondContact O-N 3.47Å; L168-L171 PolarHBondContact O-N 3.31Å; L171-R174 WeakPolarHBondContact O-CB 3.24Å; L171-R174 PolarHBondContact O-N 3.43Å; L171-D175 PolarHBondContact O-N 3.23Å; L171-D175 VanDerWaalsContact O-N 3.11Å
172	Q	92.9	Very high	93.1	Very high	81 Å²	81	41.9 Å²	41.9	38%	0.379	20%	0.199	S	C	.	.	H	α-helix	trans	-60.5	-47.6	174.4	-73.4	176.7	-42.4	0	0	111.5	F126 L168 R174 D175 T176	F126-Q172 HydrophobicContact CE1-CG 4.18Å; F126-Q172 HydrophobicContact CZ-CG 3.92Å; L168-Q172 HydrophobicContact CD1-CG 3.95Å; L168-Q172 HydrophobicContact CG-CG 4.48Å; L168-Q172 WeakPolarHBondContact O-CG 3.33Å; L168-Q172 PolarHBondContact O-N 3.31Å; Q172-R174 VanDerWaalsContact C-N 3.32Å; Q172-R174 PolarHBondContact O-N 2.84Å; Q172-D175 PolarHBondContact O-N 3.49Å; Q172-D175 VanDerWaalsContact O-N 3.16Å; Q172-T176 PolarHBondContact O-N 3.21Å
173	W	93.7	Very high	93.3	Very high	21 Å²	21	40.5 Å²	40.5	8%	0.08	19%	0.191	C	C	.	.	H	α-helix	trans	-59.1	-43.1	175.5	167.4	71.4	0	0	0	112.2	M147 T150 A154 R169 Y170 D175 T176 I177	M147-W173 HydrophobicContact CB-CE3 4.27Å; M147-W173 HydrophobicContact CB-CH2 4.24Å; M147-W173 HydrophobicContact CB-CZ3 4.06Å; M147-W173 HydrophobicContact CE-CB 3.63Å; M147-W173 HydrophobicContact CE-CD2 3.7Å; M147-W173 HydrophobicContact CE-CE3 3.68Å; M147-W173 HydrophobicContact CE-CG 3.69Å; M147-W173 HydrophobicContact CG-CD2 3.73Å; M147-W173 HydrophobicContact CG-CE3 3.83Å; M147-W173 HydrophobicContact CG-CG 4.37Å; M147-W173 HydrophobicContact CG-CH2 3.99Å; M147-W173 HydrophobicContact CG-CZ2 3.9Å; M147-W173 HydrophobicContact CG-CZ3 3.95Å; M147-W173 HydrophobicContact SD-CD2 4.15Å; M147-W173 HydrophobicContact SD-CE3 4.46Å; M147-W173 HydrophobicContact SD-CG 4.2Å; T150-W173 HydrophobicContact CG2-CH2 3.93Å; T150-W173 HydrophobicContact CG2-CZ2 4.08Å; A154-W173 HydrophobicContact CB-CZ2 4.33Å; R169-W173 WeakPolarHBondContact O-CB 3.35Å; R169-W173 PolarHBondContact O-N 2.91Å; Y170-W173 HydrophobicContact CD2-CE3 4.15Å; Y170-W173 HydrophobicContact CD2-CZ3 4.25Å; Y170-W173 HydrophobicContact CE2-CE3 4.17Å; Y170-W173 AromaticContact CE2-CZ3 3.83Å; Y170-W173 HydrophobicContact CE2-CZ3 3.83Å; Y170-W173 PolarHBondContact O-N 3.07Å; W173-D175 PolarHBondContact O-N 3.17Å; W173-T176 WeakPolarHBondContact O-CA 3.35Å; W173-T176 WeakPolarHBondContact O-CB 3.47Å; W173-T176 PolarHBondContact O-N 2.98Å; W173-T176 PolarHBondContact O-OG1 3.15Å; W173-I177 HydrophobicContact CD2-CD1 4.21Å; W173-I177 HydrophobicContact CE3-CD1 4.19Å; W173-I177 HydrophobicContact CH2-CD1 3.53Å; W173-I177 HydrophobicContact CZ2-CD1 3.54Å; W173-I177 HydrophobicContact CZ2-CG1 4.16Å; W173-I177 HydrophobicContact CZ3-CD1 3.87Å; W173-I177 PolarHBondContact O-N 3.16Å
174	R	91.1	Very high	93.4	Very high	93 Å²	93	34 Å²	34	35%	0.351	16%	0.163	S	C	.	.	H	α-helix	trans	-58.6	-39.4	178	-172.5	-169.6	67	-170.9	-3.4	111.5	T125 Y170 L171 Q172 T176 I177	T125-R174 PolarHBondContact OG1-NH2 2.8Å; Y170-R174 PolarHBondContact O-N 2.85Å; L171-R174 WeakPolarHBondContact O-CB 3.24Å; L171-R174 PolarHBondContact O-N 3.43Å; Q172-R174 VanDerWaalsContact C-N 3.32Å; Q172-R174 PolarHBondContact O-N 2.84Å; R174-T176 PolarHBondContact O-N 3.5Å; R174-I177 PolarHBondContact O-N 3.48Å
175	D	92.2	Very high	93.6	Very high	3 Å²	3	34 Å²	34	2%	0.016	16%	0.163	C	C	.	.	H	α-helix	trans	-68.2	-23.1	177.5	-70.7	-22.9	0	0	0	112.6	R124 T125 L171 Q172 W173 T180 A181 R186	R124-D175 VanDerWaalsContact CA-OD2 3.32Å; R124-D175 WeakPolarHBondContact CA-OD2 3.42Å; T125-D175 WeakPolarHBondContact CB-OD1 3.38Å; T125-D175 WeakPolarHBondContact CG2-OD1 3.28Å; T125-D175 PolarHBondContact N-OD2 2.81Å; T125-D175 VanDerWaalsContact OG1-CG 3.32Å; T125-D175 PolarHBondContact OG1-OD1 2.98Å; T125-D175 PolarHBondContact OG1-OD2 3.3Å; L171-D175 PolarHBondContact O-N 3.23Å; L171-D175 VanDerWaalsContact O-N 3.11Å; Q172-D175 PolarHBondContact O-N 3.49Å; Q172-D175 VanDerWaalsContact O-N 3.16Å; W173-D175 PolarHBondContact O-N 3.17Å; D175-T180 HydrophobicContact CB-CG2 4.09Å; D175-T180 WeakPolarHBondContact O-CB 3.49Å; D175-A181 PolarHBondContact O-N 3.08Å; D175-R186 IonicContact OD1-NH1 3.46Å
176	T	90.6	Very high	93.7	Very high	73 Å²	73	35.8 Å²	35.8	45%	0.448	17%	0.17	S	C	.	.	H	α-helix	trans	-79.1	-11.6	172.9	66.4	0	0	0	0	115.2	Q172 W173 R174 S178 A181	Q172-T176 PolarHBondContact O-N 3.21Å; W173-T176 WeakPolarHBondContact O-CA 3.35Å; W173-T176 WeakPolarHBondContact O-CB 3.47Å; W173-T176 PolarHBondContact O-N 2.98Å; W173-T176 PolarHBondContact O-OG1 3.15Å; R174-T176 PolarHBondContact O-N 3.5Å; T176-S178 VanDerWaalsContact C-N 3.27Å; T176-A181 HydrophobicContact CG2-CB 3.92Å
177	I	86.6	Confident	93.9	Very high	47 Å²	47	35.2 Å²	35.2	24%	0.241	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-26.3	178.1	-59.2	169.7	0	0	0	111.1	T150 W173 R174	T150-I177 HydrophobicContact CG2-CD1 4.29Å; W173-I177 HydrophobicContact CD2-CD1 4.21Å; W173-I177 HydrophobicContact CE3-CD1 4.19Å; W173-I177 HydrophobicContact CH2-CD1 3.53Å; W173-I177 HydrophobicContact CZ2-CD1 3.54Å; W173-I177 HydrophobicContact CZ2-CG1 4.16Å; W173-I177 HydrophobicContact CZ3-CD1 3.87Å; W173-I177 PolarHBondContact O-N 3.16Å; R174-I177 PolarHBondContact O-N 3.48Å
178	S	87.5	Confident	94	Very high	6 Å²	6	34.2 Å²	34.2	4%	0.042	16%	0.162	C	C	.	.	S	Bend	trans	-114.3	175.4	179.8	69	0	0	0	0	110.5	T176 T180 H205	T176-S178 VanDerWaalsContact C-N 3.27Å; S178-T180 PolarHBondContact O-N 3.21Å; S178-T180 WeakPolarHBondContact OG-CB 3.46Å; S178-T180 PolarHBondContact OG-N 3.11Å; S178-T180 PolarHBondContact OG-OG1 2.88Å; S178-H205 VanDerWaalsContact C-CD2 3.44Å; S178-H205 PolarHBondContact O-CD2 2.76Å; S178-H205 VanDerWaalsContact O-CD2 3.29Å
179	S	95.6	Very high	94.2	Very high	1 Å²	1	33 Å²	33	1%	0.007	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-4.6	172.6	60.5	0	0	0	0	115.9	Y183 F185 R186 T204 I210	S179-Y183 WeakPolarHBondContact O-CA 3.38Å; S179-Y183 WeakPolarHBondContact O-CB 3.28Å; S179-Y183 PolarHBondContact O-N 3.14Å; S179-F185 CarbonylContact C-O 3.22Å; S179-F185 WeakPolarHBondContact CB-O 3Å; S179-F185 PolarHBondContact OG-O 3.29Å; S179-R186 VanDerWaalsContact OG-CA 3.32Å; S179-R186 WeakPolarHBondContact OG-CA 3.11Å; S179-R186 WeakPolarHBondContact OG-CB 3.21Å; S179-T204 PolarHBondContact N-O 2.83Å; S179-I210 VanDerWaalsContact CB-CD1 3.44Å
180	T	96.5	Very high	94.4	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.018	15%	0.146	C	C	.	.	H	α-helix	trans	-56.8	-57.7	-175.5	-56.3	0	0	0	0	111.8	G122 Q123 T125 D175 S178 E182 G184 F185 R186	G122-T180 VanDerWaalsContact O-CG2 3.26Å; G122-T180 WeakPolarHBondContact O-CG2 3.39Å; Q123-T180 WeakPolarHBondContact CA-O 3.49Å; T125-T180 HydrophobicContact CG2-CG2 3.98Å; D175-T180 HydrophobicContact CB-CG2 4.09Å; D175-T180 WeakPolarHBondContact O-CB 3.49Å; S178-T180 PolarHBondContact O-N 3.21Å; S178-T180 WeakPolarHBondContact OG-CB 3.46Å; S178-T180 PolarHBondContact OG-N 3.11Å; S178-T180 PolarHBondContact OG-OG1 2.88Å; T180-E182 PolarHBondContact O-N 3.21Å; T180-G184 VanDerWaalsContact O-CA 3.23Å; T180-G184 WeakPolarHBondContact O-CA 3.34Å; T180-G184 PolarHBondContact O-N 3.33Å; T180-F185 PolarHBondContact N-O 2.74Å; T180-R186 VanDerWaalsContact OG1-CD 3.29Å; T180-R186 WeakPolarHBondContact OG1-CD 3.24Å; T180-R186 PolarHBondContact OG1-NH1 2.74Å
181	A	95.2	Very high	94.4	Very high	32 Å²	32	31.1 Å²	31.1	26%	0.264	15%	0.15	S	C	.	.	H	α-helix	trans	-66.2	-40.4	-174.6	0	0	0	0	0	112.7	Q123 D175 T176	Q123-A181 PolarHBondContact NE2-O 3.16Å; Q123-A181 VanDerWaalsContact NE2-O 3.09Å; D175-A181 PolarHBondContact O-N 3.08Å; T176-A181 HydrophobicContact CG2-CB 3.92Å
182	E	96.1	Very high	94.4	Very high	95 Å²	95	30.7 Å²	30.7	44%	0.444	15%	0.148	S	C	.	.	H	α-helix	trans	-78.7	-47.3	-175.5	-170.6	176.5	162.2	0	0	112.6	T180 H205	T180-E182 PolarHBondContact O-N 3.21Å; E182-H205 IonicContact OE2-CE1 3.89Å; E182-H205 PolarHBondContact OE2-CE1 3.13Å; E182-H205 IonicContact OE2-ND1 3.52Å; E182-H205 IonicContact OE2-NE2 3.79Å
183	Y	97.7	Very high	94	Very high	33 Å²	33	28 Å²	28	13%	0.129	14%	0.138	C	C	.	.	H	α-helix	trans	-106.7	-7.7	-171.1	-58.8	-65.8	0	0	0	114.2	S179 F185 H205 W207 I210 G303 N306	S179-Y183 WeakPolarHBondContact O-CA 3.38Å; S179-Y183 WeakPolarHBondContact O-CB 3.28Å; S179-Y183 PolarHBondContact O-N 3.14Å; Y183-F185 VanDerWaalsContact C-N 3.27Å; Y183-F185 WeakPolarHBondContact O-CD1 3.16Å; Y183-F185 PolarHBondContact O-N 2.9Å; Y183-H205 VanDerWaalsContact CE2-O 3.28Å; Y183-H205 WeakPolarHBondContact CE2-O 3.27Å; Y183-W207 AromaticContact CD1-CE3 3.56Å; Y183-W207 HydrophobicContact CD1-CE3 3.56Å; Y183-W207 AromaticContact CD1-CZ3 3.66Å; Y183-W207 HydrophobicContact CD1-CZ3 3.66Å; Y183-W207 HydrophobicContact CE1-CD2 4.35Å; Y183-W207 AromaticContact CE1-CE3 3.38Å; Y183-W207 HydrophobicContact CE1-CE3 3.38Å; Y183-W207 AromaticContact CE1-CZ3 3.92Å; Y183-W207 HydrophobicContact CE1-CZ3 3.92Å; Y183-W207 HydrophobicContact CE2-CE3 4.48Å; Y183-W207 HydrophobicContact CG-CE3 4.2Å; Y183-W207 HydrophobicContact CG-CZ3 4.32Å; Y183-W207 AromaticContact CZ-CE3 3.88Å; Y183-I210 HydrophobicContact CD2-CD1 3.61Å; Y183-I210 HydrophobicContact CE2-CD1 3.9Å; Y183-I210 HydrophobicContact CG-CD1 4.38Å; Y183-G303 WeakPolarHBondContact O-CA 3.18Å; Y183-N306 WeakPolarHBondContact CA-ND2 3.33Å; Y183-N306 PolarHBondContact O-ND2 3.04Å
184	G	98	Very high	93.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	74.1	16.6	179.4	0	0	0	0	0	113.9	G122 T180 G303	G122-G184 CarbonylContact C-O 3.49Å; G122-G184 PolarHBondContact N-O 3.21Å; G122-G184 CarbonylContact O-C 3.51Å; G122-G184 VanDerWaalsContact O-C 3.22Å; G122-G184 WeakPolarHBondContact O-CA 3.3Å; T180-G184 VanDerWaalsContact O-CA 3.23Å; T180-G184 WeakPolarHBondContact O-CA 3.34Å; T180-G184 PolarHBondContact O-N 3.33Å; G184-G303 WeakPolarHBondContact O-CA 3.27Å
185	F	98	Very high	93.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	164.7	171.3	69.5	-85.9	0	0	0	110.9	K120 I121 S179 T180 Y183 I210 F214 N306 L307 L310	K120-F185 CarbonylContact O-C 3.52Å; K120-F185 WeakPolarHBondContact O-CA 3.35Å; K120-F185 WeakPolarHBondContact O-CB 3.24Å; I121-F185 HydrophobicContact CD1-CB 3.63Å; S179-F185 CarbonylContact C-O 3.22Å; S179-F185 WeakPolarHBondContact CB-O 3Å; S179-F185 PolarHBondContact OG-O 3.29Å; T180-F185 PolarHBondContact N-O 2.74Å; Y183-F185 VanDerWaalsContact C-N 3.27Å; Y183-F185 WeakPolarHBondContact O-CD1 3.16Å; Y183-F185 PolarHBondContact O-N 2.9Å; F185-I210 HydrophobicContact CE2-CG2 3.73Å; F185-I210 HydrophobicContact CZ-CG2 3.87Å; F185-F214 HydrophobicContact CE2-CE2 4.01Å; F185-F214 HydrophobicContact CE2-CZ 4.24Å; F185-N306 HydrophobicContact CD1-CB 4.4Å; F185-N306 HydrophobicContact CE1-CB 3.87Å; F185-L307 HydrophobicContact CD1-CD2 4.29Å; F185-L307 HydrophobicContact CD1-CG 3.92Å; F185-L307 HydrophobicContact CD2-CD2 3.94Å; F185-L307 HydrophobicContact CD2-CG 4.36Å; F185-L307 HydrophobicContact CE1-CD2 4.08Å; F185-L307 HydrophobicContact CE1-CG 3.96Å; F185-L307 HydrophobicContact CE2-CD2 3.72Å; F185-L307 HydrophobicContact CE2-CG 4.39Å; F185-L307 HydrophobicContact CG-CD1 4.43Å; F185-L307 HydrophobicContact CG-CD2 4.23Å; F185-L307 HydrophobicContact CG-CG 4.13Å; F185-L307 HydrophobicContact CZ-CD2 3.79Å; F185-L307 HydrophobicContact CZ-CG 4.2Å; F185-L310 HydrophobicContact CZ-CD1 4.16Å
186	R	96.9	Very high	93.2	Very high	38 Å²	38	36 Å²	36	14%	0.143	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	152.3	167.1	63	170.9	-179.7	-111.7	8.5	112	C119 K120 D175 S179 T180 E188	C119-R186 CarbonylContact C-O 3.59Å; C119-R186 WeakPolarHBondContact CA-O 3.35Å; K120-R186 HydrophobicContact CB-CG 4.23Å; K120-R186 PolarHBondContact N-O 2.85Å; K120-R186 PolarHBondContact O-N 2.83Å; D175-R186 IonicContact OD1-NH1 3.46Å; S179-R186 VanDerWaalsContact OG-CA 3.32Å; S179-R186 WeakPolarHBondContact OG-CA 3.11Å; S179-R186 WeakPolarHBondContact OG-CB 3.21Å; T180-R186 VanDerWaalsContact OG1-CD 3.29Å; T180-R186 WeakPolarHBondContact OG1-CD 3.24Å; T180-R186 PolarHBondContact OG1-NH1 2.74Å; R186-E188 IonicContact CZ-OE1 2.93Å; R186-E188 IonicContact NE-OE1 2.79Å; R186-E188 PolarHBondContact NE-OE1 2.79Å; R186-E188 IonicContact NH2-OE1 3.36Å; R186-E188 PolarHBondContact NH2-OE1 2.83Å
187	I	97.3	Very high	93.3	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.021	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	127.8	172.9	-55.2	173.6	0	0	0	107.8	M117 I190 F201 H213 F214	M117-I187 HydrophobicContact CE-CD1 4.45Å; M117-I187 HydrophobicContact CG-CG2 4.45Å; I187-I190 HydrophobicContact CG2-CD1 4.04Å; I187-I190 HydrophobicContact CG2-CG1 3.77Å; I187-F201 HydrophobicContact CB-CB 4.1Å; I187-F201 HydrophobicContact CB-CD1 4.19Å; I187-F201 HydrophobicContact CB-CD2 4.34Å; I187-F201 HydrophobicContact CB-CG 3.95Å; I187-F201 HydrophobicContact CG2-CB 4.3Å; I187-F201 HydrophobicContact CG2-CD1 3.93Å; I187-F201 HydrophobicContact CG2-CD2 3.6Å; I187-F201 HydrophobicContact CG2-CE1 4.15Å; I187-F201 HydrophobicContact CG2-CE2 3.84Å; I187-F201 HydrophobicContact CG2-CG 3.66Å; I187-F201 HydrophobicContact CG2-CZ 4.13Å; I187-F201 WeakPolarHBondContact O-CB 3.38Å; I187-H213 HydrophobicContact CD1-CB 3.63Å; I187-F214 HydrophobicContact CD1-CD2 4.01Å; I187-F214 HydrophobicContact CD1-CE2 3.76Å; I187-F214 HydrophobicContact CG1-CE2 3.89Å
188	E	95.4	Very high	93.7	Very high	55 Å²	55	35.6 Å²	35.6	26%	0.257	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-39.1	174.2	-70.6	-80	131.5	0	0	110.8	D118 K120 R186	D118-E188 HydrophobicContact CB-CB 4.3Å; D118-E188 PolarHBondContact O-N 2.75Å; K120-E188 HydrophobicContact CB-CG 3.79Å; K120-E188 WeakPolarHBondContact CE-OE1 3.45Å; R186-E188 IonicContact CZ-OE1 2.93Å; R186-E188 IonicContact NE-OE1 2.79Å; R186-E188 PolarHBondContact NE-OE1 2.79Å; R186-E188 IonicContact NH2-OE1 3.36Å; R186-E188 PolarHBondContact NH2-OE1 2.83Å
189	A	96.2	Very high	94	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.008	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	151.3	-177.7	0	0	0	0	0	112.4	L48 M117 D118 R198 K199	L48-A189 HydrophobicContact CB-CB 3.8Å; L48-A189 HydrophobicContact CD1-CB 4.41Å; M117-A189 WeakPolarHBondContact CA-O 3.47Å; D118-A189 PolarHBondContact N-O 2.83Å; D118-A189 PolarHBondContact O-N 3.24Å; A189-R198 VanDerWaalsContact CA-O 3.25Å; A189-R198 WeakPolarHBondContact CA-O 3.4Å; A189-K199 HydrophobicContact CB-CG 4.18Å
190	I	96.6	Very high	93.8	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	132.3	172.4	-58.4	176.4	0	0	0	108.8	M117 I187 T192 T197 R198 F201 H213 F217	M117-I190 HydrophobicContact CB-CG1 4.31Å; M117-I190 HydrophobicContact CE-CD1 3.43Å; M117-I190 VanDerWaalsContact CE-CD1 3.43Å; M117-I190 HydrophobicContact CE-CG1 3.73Å; M117-I190 HydrophobicContact CG-CG1 4.08Å; I187-I190 HydrophobicContact CG2-CD1 4.04Å; I187-I190 HydrophobicContact CG2-CG1 3.77Å; I190-T192 HydrophobicContact CG2-CG2 4.35Å; I190-T197 WeakPolarHBondContact O-CA 3.46Å; I190-R198 PolarHBondContact N-O 2.98Å; I190-R198 PolarHBondContact O-N 2.84Å; I190-F201 HydrophobicContact CB-CE2 4.21Å; I190-F201 HydrophobicContact CB-CZ 3.99Å; I190-F201 HydrophobicContact CD1-CE1 3.82Å; I190-F201 HydrophobicContact CD1-CE2 4.22Å; I190-F201 HydrophobicContact CD1-CZ 3.44Å; I190-F201 VanDerWaalsContact CD1-CZ 3.44Å; I190-F201 HydrophobicContact CG1-CE1 4.37Å; I190-F201 HydrophobicContact CG1-CE2 3.86Å; I190-F201 HydrophobicContact CG1-CZ 3.58Å; I190-H213 HydrophobicContact CD1-CB 4.2Å; I190-F217 HydrophobicContact CG2-CD2 3.72Å; I190-F217 HydrophobicContact CG2-CE2 4.41Å
191	K	95	Very high	93.6	Very high	56 Å²	56	45.9 Å²	45.9	24%	0.243	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	111.3	163.4	177.4	169.2	177.8	157.2	0	109.5	V46 L48 S115 I116	V46-K191 HydrophobicContact CB-CD 3.95Å; V46-K191 HydrophobicContact CG1-CD 3.52Å; V46-K191 HydrophobicContact CG2-CD 3.7Å; L48-K191 HydrophobicContact CD2-CB 3.55Å; S115-K191 CarbonylContact C-O 3.6Å; S115-K191 VanDerWaalsContact CA-O 3.24Å; S115-K191 WeakPolarHBondContact CA-O 3.25Å; I116-K191 PolarHBondContact N-O 3.43Å; I116-K191 PolarHBondContact O-N 2.91Å
192	T	92.9	Very high	93.1	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.012	28%	0.278	C	S	.	.			trans	-85.5	148.1	171.7	24.9	0	0	0	0	109.8	I190 G194 E195 F217	I190-T192 HydrophobicContact CG2-CG2 4.35Å; T192-G194 PolarHBondContact O-N 3.38Å; T192-E195 PolarHBondContact O-N 3.41Å; T192-E195 WeakPolarHBondContact OG1-CB 3.23Å; T192-E195 PolarHBondContact OG1-OE2 3.01Å; T192-F217 HydrophobicContact CG2-CD2 4.35Å
193	S	85.4	Confident	92.6	Very high	25 Å²	25	52.8 Å²	52.8	18%	0.175	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	124.2	176	-178.8	0	0	0	0	110.6	S113 S115	S113-S193 WeakPolarHBondContact CB-OG 3.24Å; S113-S193 VanDerWaalsContact O-CB 3.28Å; S113-S193 WeakPolarHBondContact O-CB 3.35Å; S113-S193 PolarHBondContact O-OG 3.4Å; S115-S193 PolarHBondContact OG-N 3.08Å; S115-S193 VanDerWaalsContact OG-N 3.08Å
194	G	82.4	Confident	92.3	Very high	87 Å²	87	51.7 Å²	51.7	90%	0.897	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.8	-5.6	-179.2	0	0	0	0	0	115.7	T192	T192-G194 PolarHBondContact O-N 3.38Å
195	E	88.7	Confident	92.1	Very high	99 Å²	99	54.5 Å²	54.5	46%	0.463	30%	0.297	S	S	.	.	S	Bend	trans	-112.5	162.5	-175	-68.9	170.3	-147.7	0	0	112.3	T192	T192-E195 PolarHBondContact O-N 3.41Å; T192-E195 WeakPolarHBondContact OG1-CB 3.23Å; T192-E195 PolarHBondContact OG1-OE2 3.01Å
196	S	89.2	Confident	92	Very high	98 Å²	98	57.4 Å²	57.4	69%	0.685	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-70	155	173	56.2	0	0	0	0	111.2	R198	S196-R198 PolarHBondContact O-N 3.2Å
197	T	92.6	Very high	92	Very high	47 Å²	47	57.9 Å²	57.9	29%	0.288	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-73.6	125.5	176	-58.8	0	0	0	0	110.2	L48 I190 K199	L48-T197 HydrophobicContact CD2-CG2 3.76Å; I190-T197 WeakPolarHBondContact O-CA 3.46Å; T197-K199 HydrophobicContact CG2-CG 4.1Å
198	R	94.4	Very high	92	Very high	65 Å²	65	62.8 Å²	62.8	25%	0.245	34%	0.343	C	S	.	.	B	Isolated β-bridge	trans	-94.8	141.8	171.4	-63.2	-178.2	-62.2	-178.9	1.4	110	A189 I190 S196 F201	A189-R198 VanDerWaalsContact CA-O 3.25Å; A189-R198 WeakPolarHBondContact CA-O 3.4Å; I190-R198 PolarHBondContact N-O 2.98Å; I190-R198 PolarHBondContact O-N 2.84Å; S196-R198 PolarHBondContact O-N 3.2Å; R198-F201 HydrophobicContact CB-CE2 3.95Å; R198-F201 HydrophobicContact CB-CZ 3.87Å; R198-F201 WeakPolarHBondContact O-CE2 3.44Å
199	K	93.3	Very high	92	Very high	97 Å²	97	64.2 Å²	64.2	42%	0.422	35%	0.349	S	S	.	.			trans	-141.5	6.5	-178.9	-54.3	-167.1	-171.9	-159.7	0	112.8	L48 A189 T197 F201	L48-K199 WeakPolarHBondContact O-CE 3.33Å; L48-K199 PolarHBondContact O-NZ 3.01Å; A189-K199 HydrophobicContact CB-CG 4.18Å; T197-K199 HydrophobicContact CG2-CG 4.1Å; K199-F201 PolarHBondContact O-N 2.99Å; K199-F201 VanDerWaalsContact O-N 3.13Å
200	D	91.3	Very high	92.1	Very high	123 Å²	123	64.1 Å²	64.1	66%	0.658	35%	0.349	S	S	*	.			trans	-87.4	51.5	-174.5	53.7	-41.1	0	0	0	111.3
201	F	92.8	Very high	92.1	Very high	6 Å²	6	64.2 Å²	64.2	3%	0.026	35%	0.35	C	S	.	.			trans	-109.5	8.4	-177.7	-58.4	-72.1	0	0	0	113.4	I187 I190 R198 K199 N203 T204 H213	I187-F201 HydrophobicContact CB-CB 4.1Å; I187-F201 HydrophobicContact CB-CD1 4.19Å; I187-F201 HydrophobicContact CB-CD2 4.34Å; I187-F201 HydrophobicContact CB-CG 3.95Å; I187-F201 HydrophobicContact CG2-CB 4.3Å; I187-F201 HydrophobicContact CG2-CD1 3.93Å; I187-F201 HydrophobicContact CG2-CD2 3.6Å; I187-F201 HydrophobicContact CG2-CE1 4.15Å; I187-F201 HydrophobicContact CG2-CE2 3.84Å; I187-F201 HydrophobicContact CG2-CG 3.66Å; I187-F201 HydrophobicContact CG2-CZ 4.13Å; I187-F201 WeakPolarHBondContact O-CB 3.38Å; I190-F201 HydrophobicContact CB-CE2 4.21Å; I190-F201 HydrophobicContact CB-CZ 3.99Å; I190-F201 HydrophobicContact CD1-CE1 3.82Å; I190-F201 HydrophobicContact CD1-CE2 4.22Å; I190-F201 HydrophobicContact CD1-CZ 3.44Å; I190-F201 VanDerWaalsContact CD1-CZ 3.44Å; I190-F201 HydrophobicContact CG1-CE1 4.37Å; I190-F201 HydrophobicContact CG1-CE2 3.86Å; I190-F201 HydrophobicContact CG1-CZ 3.58Å; R198-F201 HydrophobicContact CB-CE2 3.95Å; R198-F201 HydrophobicContact CB-CZ 3.87Å; R198-F201 WeakPolarHBondContact O-CE2 3.44Å; K199-F201 PolarHBondContact O-N 2.99Å; K199-F201 VanDerWaalsContact O-N 3.13Å; F201-N203 PolarHBondContact O-N 3.5Å; F201-N203 VanDerWaalsContact O-N 3.13Å; F201-T204 WeakPolarHBondContact CA-OG1 3.46Å; F201-T204 WeakPolarHBondContact O-CB 3.4Å; F201-T204 PolarHBondContact O-N 3.28Å; F201-H213 AromaticContact CE1-CE1 3.76Å; F201-H213 AromaticContact CE1-CG 3.96Å; F201-H213 AromaticContact CE1-ND1 3.7Å
202	Q	84.5	Confident	92.2	Very high	154 Å²	154	65.4 Å²	65.4	72%	0.72	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-30.1	-174.2	-65	177.5	8.2	0	0	113
203	N	86	Confident	92.4	Very high	118 Å²	118	67.3 Å²	67.3	63%	0.631	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.6	7.9	-179.7	-58.4	-29.1	0	0	0	112.7	F201 H205	F201-N203 PolarHBondContact O-N 3.5Å; F201-N203 VanDerWaalsContact O-N 3.13Å; N203-H205 PolarHBondContact O-N 2.88Å; N203-H205 VanDerWaalsContact O-N 3.11Å
204	T	92.3	Very high	93	Very high	11 Å²	11	66.1 Å²	66.1	7%	0.067	36%	0.359	C	S	.	.			trans	-69.3	109.3	173.3	-59.6	0	0	0	0	107.8	S179 F201 E209 I210	S179-T204 PolarHBondContact N-O 2.83Å; F201-T204 WeakPolarHBondContact CA-OG1 3.46Å; F201-T204 WeakPolarHBondContact O-CB 3.4Å; F201-T204 PolarHBondContact O-N 3.28Å; T204-E209 HydrophobicContact CG2-CB 4.13Å; T204-I210 HydrophobicContact CG2-CG1 3.84Å
205	H	92.7	Very high	93.7	Very high	58 Å²	58	63.4 Å²	63.4	27%	0.269	32%	0.322	S	S	.	.			trans	-126.9	-49.3	-170.4	-177.3	-90	0	0	0	112.1	S178 E182 Y183 N203 E209 I210	S178-H205 VanDerWaalsContact C-CD2 3.44Å; S178-H205 PolarHBondContact O-CD2 2.76Å; S178-H205 VanDerWaalsContact O-CD2 3.29Å; E182-H205 IonicContact OE2-CE1 3.89Å; E182-H205 PolarHBondContact OE2-CE1 3.13Å; E182-H205 IonicContact OE2-ND1 3.52Å; E182-H205 IonicContact OE2-NE2 3.79Å; Y183-H205 VanDerWaalsContact CE2-O 3.28Å; Y183-H205 WeakPolarHBondContact CE2-O 3.27Å; N203-H205 PolarHBondContact O-N 2.88Å; N203-H205 VanDerWaalsContact O-N 3.11Å; H205-E209 PolarHBondContact N-OE2 2.95Å; H205-I210 WeakPolarHBondContact O-CD1 3.17Å
206	T	95.8	Very high	94	Very high	62 Å²	62	63 Å²	63	38%	0.38	32%	0.323	S	S	.	.	S	Bend	trans	-73.4	147.5	-171.6	67.7	0	0	0	0	111.9	N208 E209 I210	T206-N208 PolarHBondContact O-N 2.89Å; T206-N208 VanDerWaalsContact O-N 3.15Å; T206-E209 PolarHBondContact N-OE2 2.96Å; T206-E209 PolarHBondContact O-N 3.01Å; T206-E209 WeakPolarHBondContact OG1-CB 3.31Å; T206-E209 WeakPolarHBondContact OG1-CG 3.4Å; T206-E209 PolarHBondContact OG1-N 3.35Å; T206-E209 PolarHBondContact OG1-OE2 3.44Å; T206-I210 VanDerWaalsContact O-CG1 3.3Å; T206-I210 WeakPolarHBondContact O-CG1 3.47Å; T206-I210 PolarHBondContact O-N 2.96Å
207	W	97.4	Very high	94.3	Very high	47 Å²	47	58.3 Å²	58.3	18%	0.178	29%	0.29	C	S	.	.	H	α-helix	trans	-50.9	-41.1	176.1	-171.5	-101.3	0	0	0	113.2	Y183 I210 I211 N306 K309 L310	Y183-W207 AromaticContact CD1-CE3 3.56Å; Y183-W207 HydrophobicContact CD1-CE3 3.56Å; Y183-W207 AromaticContact CD1-CZ3 3.66Å; Y183-W207 HydrophobicContact CD1-CZ3 3.66Å; Y183-W207 HydrophobicContact CE1-CD2 4.35Å; Y183-W207 AromaticContact CE1-CE3 3.38Å; Y183-W207 HydrophobicContact CE1-CE3 3.38Å; Y183-W207 AromaticContact CE1-CZ3 3.92Å; Y183-W207 HydrophobicContact CE1-CZ3 3.92Å; Y183-W207 HydrophobicContact CE2-CE3 4.48Å; Y183-W207 HydrophobicContact CG-CE3 4.2Å; Y183-W207 HydrophobicContact CG-CZ3 4.32Å; Y183-W207 AromaticContact CZ-CE3 3.88Å; W207-I210 PolarHBondContact O-N 3.14Å; W207-I211 WeakPolarHBondContact O-CB 3.36Å; W207-I211 WeakPolarHBondContact O-CG2 3.31Å; W207-I211 PolarHBondContact O-N 3.1Å; W207-N306 HydrophobicContact CH2-CB 4.46Å; W207-N306 WeakPolarHBondContact CH2-O 3.3Å; W207-N306 HydrophobicContact CZ3-CB 4.24Å; W207-K309 HydrophobicContact CH2-CB 4.25Å; W207-K309 HydrophobicContact CZ2-CB 4.48Å; W207-L310 HydrophobicContact CH2-CB 3.88Å; W207-L310 HydrophobicContact CZ2-CB 3.95Å
208	N	96.9	Very high	94.5	Very high	107 Å²	107	56.1 Å²	56.1	57%	0.572	28%	0.276	S	S	*	.	H	α-helix	trans	-65.9	-39.8	179.6	-74.5	-20	0	0	0	112.8	T206 I211 N212	T206-N208 PolarHBondContact O-N 2.89Å; T206-N208 VanDerWaalsContact O-N 3.15Å; N208-I211 WeakPolarHBondContact O-CG2 3.49Å; N208-N212 VanDerWaalsContact O-CB 3.3Å; N208-N212 WeakPolarHBondContact O-CB 3.48Å; N208-N212 PolarHBondContact O-N 2.92Å; N208-N212 VanDerWaalsContact O-N 3.16Å; N208-N212 PolarHBondContact O-ND2 3.47Å
209	E	96.3	Very high	94.5	Very high	85 Å²	85	57.6 Å²	57.6	40%	0.397	29%	0.285	S	S	.	.	H	α-helix	trans	-64.7	-47.6	173.8	-71	162.2	154.5	0	0	110.7	T204 H205 T206 N212 H213	T204-E209 HydrophobicContact CG2-CB 4.13Å; H205-E209 PolarHBondContact N-OE2 2.95Å; T206-E209 PolarHBondContact N-OE2 2.96Å; T206-E209 PolarHBondContact O-N 3.01Å; T206-E209 WeakPolarHBondContact OG1-CB 3.31Å; T206-E209 WeakPolarHBondContact OG1-CG 3.4Å; T206-E209 PolarHBondContact OG1-N 3.35Å; T206-E209 PolarHBondContact OG1-OE2 3.44Å; E209-N212 PolarHBondContact O-N 2.76Å; E209-H213 PolarHBondContact O-CD2 3.46Å; E209-H213 PolarHBondContact O-N 2.82Å; E209-H213 VanDerWaalsContact O-N 3.08Å
210	I	97.5	Very high	94.4	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-58.9	-55	-179.1	-58.9	163.6	0	0	0	109.9	S179 Y183 F185 T204 H205 T206 W207 N212 H213 F214 L310	S179-I210 VanDerWaalsContact CB-CD1 3.44Å; Y183-I210 HydrophobicContact CD2-CD1 3.61Å; Y183-I210 HydrophobicContact CE2-CD1 3.9Å; Y183-I210 HydrophobicContact CG-CD1 4.38Å; F185-I210 HydrophobicContact CE2-CG2 3.73Å; F185-I210 HydrophobicContact CZ-CG2 3.87Å; T204-I210 HydrophobicContact CG2-CG1 3.84Å; H205-I210 WeakPolarHBondContact O-CD1 3.17Å; T206-I210 VanDerWaalsContact O-CG1 3.3Å; T206-I210 WeakPolarHBondContact O-CG1 3.47Å; T206-I210 PolarHBondContact O-N 2.96Å; W207-I210 PolarHBondContact O-N 3.14Å; I210-N212 VanDerWaalsContact C-N 3.25Å; I210-N212 PolarHBondContact O-N 3.27Å; I210-H213 WeakPolarHBondContact O-CB 3.37Å; I210-H213 PolarHBondContact O-N 2.84Å; I210-H213 VanDerWaalsContact O-N 3.08Å; I210-F214 HydrophobicContact CG2-CD2 3.96Å; I210-F214 HydrophobicContact CG2-CE2 3.86Å; I210-F214 WeakPolarHBondContact O-CD2 3.49Å; I210-F214 PolarHBondContact O-N 2.93Å; I210-F214 VanDerWaalsContact O-N 3.12Å; I210-L310 HydrophobicContact CG2-CD1 3.61Å
211	I	97.2	Very high	94.6	Very high	2 Å²	2	56.6 Å²	56.6	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-60.9	-35.9	-177.5	-162.7	173.7	0	0	0	111.9	W207 N208 F214 K215 L310 Q313 I314	W207-I211 WeakPolarHBondContact O-CB 3.36Å; W207-I211 WeakPolarHBondContact O-CG2 3.31Å; W207-I211 PolarHBondContact O-N 3.1Å; N208-I211 WeakPolarHBondContact O-CG2 3.49Å; I211-F214 PolarHBondContact O-N 2.89Å; I211-K215 WeakPolarHBondContact O-CG 3.38Å; I211-K215 PolarHBondContact O-N 2.67Å; I211-L310 HydrophobicContact CB-CD1 4.5Å; I211-L310 HydrophobicContact CG1-CG 4.21Å; I211-Q313 HydrophobicContact CD1-CB 3.92Å; I211-Q313 HydrophobicContact CD1-CG 3.55Å; I211-I314 HydrophobicContact CD1-CG1 3.93Å; I211-I314 HydrophobicContact CG1-CD1 4.01Å; I211-I314 HydrophobicContact CG1-CG1 3.6Å
212	N	96.6	Very high	94.8	Very high	80 Å²	80	60 Å²	60	43%	0.428	29%	0.288	S	S	.	.	H	α-helix	trans	-64.1	-41.1	176.1	-75.2	-21.3	0	0	0	111.9	N208 E209 I210 F214 K215 L216	N208-N212 VanDerWaalsContact O-CB 3.3Å; N208-N212 WeakPolarHBondContact O-CB 3.48Å; N208-N212 PolarHBondContact O-N 2.92Å; N208-N212 VanDerWaalsContact O-N 3.16Å; N208-N212 PolarHBondContact O-ND2 3.47Å; E209-N212 PolarHBondContact O-N 2.76Å; I210-N212 VanDerWaalsContact C-N 3.25Å; I210-N212 PolarHBondContact O-N 3.27Å; N212-F214 VanDerWaalsContact C-N 3.33Å; N212-F214 PolarHBondContact O-N 3.02Å; N212-K215 PolarHBondContact O-N 2.66Å; N212-L216 WeakPolarHBondContact O-CB 3.44Å; N212-L216 VanDerWaalsContact O-CG 3.31Å; N212-L216 WeakPolarHBondContact O-CG 3.46Å; N212-L216 PolarHBondContact O-N 3.15Å
213	H	97.1	Very high	95.4	Very high	42 Å²	42	56.4 Å²	56.4	19%	0.194	27%	0.273	C	S	.	.	H	α-helix	trans	-62.1	-40.5	173.9	-70.1	-57	0	0	0	112.5	I187 I190 F201 E209 I210 F217	I187-H213 HydrophobicContact CD1-CB 3.63Å; I190-H213 HydrophobicContact CD1-CB 4.2Å; F201-H213 AromaticContact CE1-CE1 3.76Å; F201-H213 AromaticContact CE1-CG 3.96Å; F201-H213 AromaticContact CE1-ND1 3.7Å; E209-H213 PolarHBondContact O-CD2 3.46Å; E209-H213 PolarHBondContact O-N 2.82Å; E209-H213 VanDerWaalsContact O-N 3.08Å; I210-H213 WeakPolarHBondContact O-CB 3.37Å; I210-H213 PolarHBondContact O-N 2.84Å; I210-H213 VanDerWaalsContact O-N 3.08Å; H213-F217 VanDerWaalsContact O-CB 3.29Å; H213-F217 WeakPolarHBondContact O-CB 3.49Å; H213-F217 PolarHBondContact O-N 3.16Å
214	F	97.8	Very high	95.9	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-67.3	-41.9	176.1	-85	-99.1	0	0	0	112.6	M117 F185 I187 I210 I211 N212 L216 F217 V218 F257 L307 L310 F311 I314	M117-F214 HydrophobicContact CE-CD1 4.21Å; M117-F214 HydrophobicContact CE-CD2 4.29Å; M117-F214 HydrophobicContact CE-CE1 4.33Å; M117-F214 HydrophobicContact CE-CE2 4.42Å; M117-F214 HydrophobicContact CE-CG 4.2Å; M117-F214 HydrophobicContact CE-CZ 4.44Å; M117-F214 HydrophobicContact SD-CD1 3.92Å; M117-F214 HydrophobicContact SD-CD2 4.41Å; M117-F214 HydrophobicContact SD-CE1 3.48Å; M117-F214 WeakPolarHBondContact SD-CE1 3.43Å; M117-F214 HydrophobicContact SD-CE2 4.02Å; M117-F214 HydrophobicContact SD-CG 4.38Å; M117-F214 HydrophobicContact SD-CZ 3.54Å; M117-F214 VanDerWaalsContact SD-CZ 3.54Å; F185-F214 HydrophobicContact CE2-CE2 4.01Å; F185-F214 HydrophobicContact CE2-CZ 4.24Å; I187-F214 HydrophobicContact CD1-CD2 4.01Å; I187-F214 HydrophobicContact CD1-CE2 3.76Å; I187-F214 HydrophobicContact CG1-CE2 3.89Å; I210-F214 HydrophobicContact CG2-CD2 3.96Å; I210-F214 HydrophobicContact CG2-CE2 3.86Å; I210-F214 WeakPolarHBondContact O-CD2 3.49Å; I210-F214 PolarHBondContact O-N 2.93Å; I210-F214 VanDerWaalsContact O-N 3.12Å; I211-F214 PolarHBondContact O-N 2.89Å; N212-F214 VanDerWaalsContact C-N 3.33Å; N212-F214 PolarHBondContact O-N 3.02Å; F214-L216 PolarHBondContact O-N 3.03Å; F214-F217 WeakPolarHBondContact O-CB 3.34Å; F214-F217 PolarHBondContact O-N 3.36Å; F214-V218 WeakPolarHBondContact O-CG2 3.48Å; F214-V218 PolarHBondContact O-N 3.08Å; F214-F257 HydrophobicContact CE1-CZ 4.41Å; F214-L307 HydrophobicContact CE1-CD2 3.96Å; F214-L307 HydrophobicContact CE2-CD2 4.46Å; F214-L307 HydrophobicContact CZ-CD2 3.58Å; F214-L310 HydrophobicContact CB-CD2 3.72Å; F214-L310 HydrophobicContact CD1-CD2 3.73Å; F214-L310 HydrophobicContact CD2-CD1 3.87Å; F214-L310 HydrophobicContact CD2-CD2 4.08Å; F214-L310 HydrophobicContact CE1-CD2 4.34Å; F214-L310 HydrophobicContact CE2-CD1 4.15Å; F214-L310 HydrophobicContact CG-CD1 4.23Å; F214-L310 HydrophobicContact CG-CD2 3.58Å; F214-F311 HydrophobicContact CD1-CE1 4.3Å; F214-F311 AromaticContact CD1-CE2 3.89Å; F214-F311 HydrophobicContact CD1-CE2 3.89Å; F214-F311 AromaticContact CD1-CZ 3.58Å; F214-F311 HydrophobicContact CD1-CZ 3.58Å; F214-F311 AromaticContact CE1-CE2 3.82Å; F214-F311 HydrophobicContact CE1-CE2 3.82Å; F214-F311 AromaticContact CE1-CZ 3.86Å; F214-F311 HydrophobicContact CE1-CZ 3.86Å; F214-I314 HydrophobicContact CB-CD1 3.55Å
215	K	96.7	Very high	96.2	Very high	31 Å²	31	50.3 Å²	50.3	14%	0.135	24%	0.24	C	C	.	.	H	α-helix	trans	-58.5	-46.4	174.3	-75.7	173.3	-178.3	168.2	0	112.3	I211 N212 F217 V218 K219 H220 I314 E317	I211-K215 WeakPolarHBondContact O-CG 3.38Å; I211-K215 PolarHBondContact O-N 2.67Å; N212-K215 PolarHBondContact O-N 2.66Å; K215-F217 VanDerWaalsContact C-N 3.34Å; K215-V218 WeakPolarHBondContact O-CG2 3.27Å; K215-V218 PolarHBondContact O-N 2.74Å; K215-K219 PolarHBondContact O-N 3.23Å; K215-H220 PolarHBondContact O-N 3.12Å; K215-I314 HydrophobicContact CG-CD1 4.06Å; K215-I314 HydrophobicContact CG-CG1 3.88Å; K215-I314 HydrophobicContact CG-CG2 4.3Å; K215-E317 WeakPolarHBondContact CE-OE2 3.46Å; K215-E317 IonicContact NZ-OE2 3.11Å; K215-E317 PolarHBondContact NZ-OE2 2.89Å
216	L	95.2	Very high	96.4	Very high	90 Å²	90	51.1 Å²	51.1	47%	0.471	24%	0.244	S	C	.	.	H	α-helix	trans	-63.7	-41.3	176	-70.1	173.4	0	0	0	111.2	N212 F214 V218 K219	N212-L216 WeakPolarHBondContact O-CB 3.44Å; N212-L216 VanDerWaalsContact O-CG 3.31Å; N212-L216 WeakPolarHBondContact O-CG 3.46Å; N212-L216 PolarHBondContact O-N 3.15Å; F214-L216 PolarHBondContact O-N 3.03Å; L216-V218 PolarHBondContact O-N 3.26Å; L216-K219 PolarHBondContact O-N 3.31Å
217	F	96.7	Very high	96.6	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.1	-42.6	177.8	172.2	-114.9	0	0	0	112.8	I116 M117 I190 T192 H213 F214 K215 K219 Y228 F257 H259	I116-F217 VanDerWaalsContact C-CE2 3.48Å; M117-F217 HydrophobicContact CB-CD1 4.19Å; M117-F217 HydrophobicContact CB-CD2 4.05Å; M117-F217 HydrophobicContact CB-CE1 3.85Å; M117-F217 HydrophobicContact CB-CE2 3.69Å; M117-F217 HydrophobicContact CB-CG 4.28Å; M117-F217 HydrophobicContact CB-CZ 3.58Å; M117-F217 HydrophobicContact CE-CB 3.48Å; M117-F217 VanDerWaalsContact CE-CB 3.48Å; M117-F217 HydrophobicContact CE-CD1 3.65Å; M117-F217 HydrophobicContact CE-CD2 4.17Å; M117-F217 HydrophobicContact CE-CE1 4.42Å; M117-F217 HydrophobicContact CE-CG 3.49Å; M117-F217 VanDerWaalsContact CE-CG 3.49Å; M117-F217 HydrophobicContact SD-CD1 4.11Å; M117-F217 HydrophobicContact SD-CE1 4.4Å; M117-F217 HydrophobicContact SD-CG 4.46Å; I190-F217 HydrophobicContact CG2-CD2 3.72Å; I190-F217 HydrophobicContact CG2-CE2 4.41Å; T192-F217 HydrophobicContact CG2-CD2 4.35Å; H213-F217 VanDerWaalsContact O-CB 3.29Å; H213-F217 WeakPolarHBondContact O-CB 3.49Å; H213-F217 PolarHBondContact O-N 3.16Å; F214-F217 WeakPolarHBondContact O-CB 3.34Å; F214-F217 PolarHBondContact O-N 3.36Å; K215-F217 VanDerWaalsContact C-N 3.34Å; F217-K219 PolarHBondContact O-N 3.26Å; F217-Y228 HydrophobicContact CD1-CE2 4.5Å; F217-Y228 AromaticContact CE1-CE2 3.81Å; F217-Y228 HydrophobicContact CE1-CE2 3.81Å; F217-Y228 AromaticContact CE1-CZ 3.94Å; F217-Y228 WeakPolarHBondContact CE1-OH 3.21Å; F217-F257 HydrophobicContact CE1-CB 3.95Å; F217-F257 HydrophobicContact CZ-CB 4.16Å; F217-H259 AromaticContact CE1-CD2 3.66Å; F217-H259 AromaticContact CE2-NE2 3.95Å; F217-H259 AromaticContact CZ-CD2 3.52Å; F217-H259 AromaticContact CZ-NE2 3.86Å; F217-H259 PolarHBondContact O-CE1 2.88Å; F217-H259 PolarHBondContact O-NE2 3.08Å
218	V	96.2	Very high	96.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	2.5	174.6	-54.8	0	0	0	0	113	F214 K215 L216 H220 R221 I224 Y228 F311 I314	F214-V218 WeakPolarHBondContact O-CG2 3.48Å; F214-V218 PolarHBondContact O-N 3.08Å; K215-V218 WeakPolarHBondContact O-CG2 3.27Å; K215-V218 PolarHBondContact O-N 2.74Å; L216-V218 PolarHBondContact O-N 3.26Å; V218-H220 PolarHBondContact O-N 3.06Å; V218-R221 VanDerWaalsContact O-CB 3.3Å; V218-R221 WeakPolarHBondContact O-CB 3.39Å; V218-R221 PolarHBondContact O-N 3.45Å; V218-I224 HydrophobicContact CB-CB 4.43Å; V218-I224 HydrophobicContact CB-CG2 4.08Å; V218-I224 HydrophobicContact CG1-CG2 3.89Å; V218-Y228 HydrophobicContact CG1-CD2 4.11Å; V218-Y228 HydrophobicContact CG1-CE2 4.01Å; V218-F311 HydrophobicContact CG1-CE1 4.23Å; V218-I314 HydrophobicContact CG2-CG2 4.41Å
219	K	94.3	Very high	96.7	Very high	96 Å²	96	44.4 Å²	44.4	42%	0.417	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	39.9	-176.3	-58.3	-173.9	178.1	-173.2	0	112.6	K215 L216 F217 R221	K215-K219 PolarHBondContact O-N 3.23Å; L216-K219 PolarHBondContact O-N 3.31Å; F217-K219 PolarHBondContact O-N 3.26Å; K219-R221 PolarHBondContact O-N 2.86Å
220	H	92.1	Very high	96.8	Very high	109 Å²	109	44.3 Å²	44.3	51%	0.505	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	18.5	-175.3	-55.6	-89.3	0	0	0	115.1	K215 V218 K222 C318	K215-H220 PolarHBondContact O-N 3.12Å; V218-H220 PolarHBondContact O-N 3.06Å; H220-K222 PolarHBondContact O-N 2.91Å; H220-C318 PolarHBondContact O-SG 3.31Å
221	R	95	Very high	96.9	Very high	91 Å²	91	46.1 Å²	46.1	34%	0.343	22%	0.217	S	C	.	.			trans	-81.5	102.8	178.7	-64.3	-173.4	65.2	-170.2	2	110.6	V218 K219 I223 I224 A225 E261	V218-R221 VanDerWaalsContact O-CB 3.3Å; V218-R221 WeakPolarHBondContact O-CB 3.39Å; V218-R221 PolarHBondContact O-N 3.45Å; K219-R221 PolarHBondContact O-N 2.86Å; R221-I223 VanDerWaalsContact C-N 3.27Å; R221-I223 PolarHBondContact O-N 2.92Å; R221-I224 HydrophobicContact CB-CB 4.34Å; R221-I224 HydrophobicContact CB-CD1 3.96Å; R221-I224 HydrophobicContact CB-CG1 4.08Å; R221-I224 HydrophobicContact CG-CD1 4.45Å; R221-I224 PolarHBondContact O-N 3.09Å; R221-A225 PolarHBondContact O-N 3.45Å; R221-E261 PolarHBondContact NH1-O 2.57Å; R221-E261 PolarHBondContact NH2-O 3.42Å
222	K	96.1	Very high	96.9	Very high	78 Å²	78	46 Å²	46	34%	0.339	22%	0.217	S	C	.	.	H	α-helix	trans	-49.5	-42.7	179.3	-167.5	174.8	-165.4	148.5	0	113.9	H220 I224 A225 Q226 I315 C318	H220-K222 PolarHBondContact O-N 2.91Å; K222-I224 VanDerWaalsContact C-N 3.31Å; K222-I224 PolarHBondContact O-N 3.3Å; K222-A225 PolarHBondContact O-N 3.46Å; K222-Q226 HydrophobicContact CG-CG 4.45Å; K222-Q226 WeakPolarHBondContact O-CG 3.16Å; K222-Q226 PolarHBondContact O-N 2.74Å; K222-I315 WeakPolarHBondContact CE-O 3.49Å; K222-I315 HydrophobicContact CG-CG2 4.3Å; K222-I315 PolarHBondContact NZ-O 2.91Å; K222-C318 HydrophobicContact CB-CB 4.1Å; K222-C318 WeakPolarHBondContact CD-O 3.45Å; K222-C318 HydrophobicContact CG-CB 4.3Å; K222-C318 PolarHBondContact NZ-O 2.78Å
223	I	96.7	Very high	97.1	Very high	78 Å²	78	44.9 Å²	44.9	40%	0.4	21%	0.21	S	C	.	.	H	α-helix	trans	-60.6	-37.7	180	-174.3	58.6	0	0	0	113.2	R221 Q226 N227	R221-I223 VanDerWaalsContact C-N 3.27Å; R221-I223 PolarHBondContact O-N 2.92Å; I223-Q226 PolarHBondContact O-N 2.83Å; I223-N227 PolarHBondContact O-N 2.79Å; I223-N227 PolarHBondContact O-ND2 2.92Å
224	I	97.5	Very high	97.1	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-70	-44.5	178.5	-64.7	-179.5	0	0	0	109.7	V218 R221 K222 Q226 N227 Y228 H259 A265	V218-I224 HydrophobicContact CB-CB 4.43Å; V218-I224 HydrophobicContact CB-CG2 4.08Å; V218-I224 HydrophobicContact CG1-CG2 3.89Å; R221-I224 HydrophobicContact CB-CB 4.34Å; R221-I224 HydrophobicContact CB-CD1 3.96Å; R221-I224 HydrophobicContact CB-CG1 4.08Å; R221-I224 HydrophobicContact CG-CD1 4.45Å; R221-I224 PolarHBondContact O-N 3.09Å; K222-I224 VanDerWaalsContact C-N 3.31Å; K222-I224 PolarHBondContact O-N 3.3Å; I224-Q226 VanDerWaalsContact C-N 3.34Å; I224-Q226 PolarHBondContact O-N 2.98Å; I224-N227 PolarHBondContact O-N 2.84Å; I224-Y228 HydrophobicContact CG2-CD2 3.84Å; I224-Y228 HydrophobicContact CG2-CE2 3.55Å; I224-Y228 WeakPolarHBondContact O-CD2 3.4Å; I224-Y228 PolarHBondContact O-N 2.91Å; I224-H259 HydrophobicContact CD1-CB 4.48Å; I224-H259 HydrophobicContact CG2-CB 3.82Å; I224-A265 HydrophobicContact CG2-CB 4.09Å
225	A	98	Very high	97.2	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59.5	-42.9	175.2	0	0	0	0	0	111.9	R221 K222 Y228 L229 F311 I314 I315	R221-A225 PolarHBondContact O-N 3.45Å; K222-A225 PolarHBondContact O-N 3.46Å; A225-Y228 PolarHBondContact O-N 3.47Å; A225-L229 PolarHBondContact O-N 2.99Å; A225-F311 HydrophobicContact CB-CD1 4.01Å; A225-F311 HydrophobicContact CB-CE1 4.47Å; A225-I314 HydrophobicContact CB-CG2 3.98Å; A225-I315 HydrophobicContact CB-CD1 4.37Å; A225-I315 HydrophobicContact CB-CG1 3.72Å
226	Q	98.2	Very high	97.3	Very high	74 Å²	74	50.3 Å²	50.3	35%	0.346	23%	0.232	S	C	.	.	H	α-helix	trans	-61.2	-44.6	175	-74.8	173.4	-35	0	0	112.4	K222 I223 I224 Y228 L229 I230 I315	K222-Q226 HydrophobicContact CG-CG 4.45Å; K222-Q226 WeakPolarHBondContact O-CG 3.16Å; K222-Q226 PolarHBondContact O-N 2.74Å; I223-Q226 PolarHBondContact O-N 2.83Å; I224-Q226 VanDerWaalsContact C-N 3.34Å; I224-Q226 PolarHBondContact O-N 2.98Å; Q226-Y228 VanDerWaalsContact C-N 3.34Å; Q226-Y228 PolarHBondContact O-N 2.95Å; Q226-L229 PolarHBondContact O-N 3.1Å; Q226-I230 VanDerWaalsContact O-CG1 3.31Å; Q226-I230 WeakPolarHBondContact O-CG1 3.38Å; Q226-I230 PolarHBondContact O-N 3.36Å; Q226-I315 HydrophobicContact CB-CD1 4.39Å; Q226-I315 HydrophobicContact CG-CD1 3.83Å; Q226-I315 HydrophobicContact CG-CG1 4.06Å; Q226-I315 HydrophobicContact CG-CG2 4.19Å
227	N	98.3	Very high	97.4	Very high	51 Å²	51	49.8 Å²	49.8	27%	0.273	23%	0.232	S	C	.	.	H	α-helix	trans	-64.3	-38.8	178	-74.9	-22.5	0	0	0	112	I223 I224 R231 G263 A265	I223-N227 PolarHBondContact O-N 2.79Å; I223-N227 PolarHBondContact O-ND2 2.92Å; I224-N227 PolarHBondContact O-N 2.84Å; N227-R231 WeakPolarHBondContact O-CB 3.48Å; N227-R231 PolarHBondContact O-N 2.71Å; N227-G263 PolarHBondContact ND2-O 2.86Å; N227-A265 HydrophobicContact CB-CB 3.84Å
228	Y	98.7	Very high	97.5	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64.1	-45.1	171.8	-76.2	-45.3	0	0	0	112.8	F217 V218 I224 A225 Q226 I230 R231 L232 F257 V258 H259 A265 N266 I267 F311	F217-Y228 HydrophobicContact CD1-CE2 4.5Å; F217-Y228 AromaticContact CE1-CE2 3.81Å; F217-Y228 HydrophobicContact CE1-CE2 3.81Å; F217-Y228 AromaticContact CE1-CZ 3.94Å; F217-Y228 WeakPolarHBondContact CE1-OH 3.21Å; V218-Y228 HydrophobicContact CG1-CD2 4.11Å; V218-Y228 HydrophobicContact CG1-CE2 4.01Å; I224-Y228 HydrophobicContact CG2-CD2 3.84Å; I224-Y228 HydrophobicContact CG2-CE2 3.55Å; I224-Y228 WeakPolarHBondContact O-CD2 3.4Å; I224-Y228 PolarHBondContact O-N 2.91Å; A225-Y228 PolarHBondContact O-N 3.47Å; Q226-Y228 VanDerWaalsContact C-N 3.34Å; Q226-Y228 PolarHBondContact O-N 2.95Å; Y228-I230 PolarHBondContact O-N 3.44Å; Y228-R231 PolarHBondContact O-N 3.03Å; Y228-R231 VanDerWaalsContact O-N 3.17Å; Y228-L232 WeakPolarHBondContact O-CG 3.23Å; Y228-L232 PolarHBondContact O-N 2.57Å; Y228-F257 AromaticContact CD1-CD1 3.79Å; Y228-F257 HydrophobicContact CD1-CD1 3.79Å; Y228-F257 HydrophobicContact CD1-CE1 4.48Å; Y228-F257 HydrophobicContact CE1-CB 4Å; Y228-F257 AromaticContact CE1-CD1 3.78Å; Y228-F257 HydrophobicContact CE1-CD1 3.78Å; Y228-F257 HydrophobicContact CE1-CG 4.39Å; Y228-F257 HydrophobicContact CG-CD1 4.18Å; Y228-V258 WeakPolarHBondContact OH-CA 3.46Å; Y228-V258 PolarHBondContact OH-N 3.06Å; Y228-V258 VanDerWaalsContact OH-N 3.16Å; Y228-V258 PolarHBondContact OH-O 2.81Å; Y228-H259 HydrophobicContact CE2-CB 4.32Å; Y228-H259 AromaticContact CE2-CD2 3.86Å; Y228-H259 AromaticContact CZ-CD2 3.97Å; Y228-H259 WeakPolarHBondContact OH-CB 3.49Å; Y228-H259 PolarHBondContact OH-CD2 2.74Å; Y228-H259 VanDerWaalsContact OH-CD2 3.24Å; Y228-H259 PolarHBondContact OH-N 2.89Å; Y228-A265 HydrophobicContact CD1-CB 3.93Å; Y228-A265 HydrophobicContact CD2-CB 4.36Å; Y228-A265 HydrophobicContact CE1-CB 3.75Å; Y228-A265 HydrophobicContact CE2-CB 4.2Å; Y228-A265 HydrophobicContact CG-CB 4.25Å; Y228-N266 WeakPolarHBondContact CE1-O 3.46Å; Y228-I267 HydrophobicContact CD1-CD1 3.82Å; Y228-I267 HydrophobicContact CD1-CG1 3.61Å; Y228-I267 HydrophobicContact CE1-CG1 3.97Å; Y228-F311 AromaticContact CD2-CE1 3.65Å; Y228-F311 HydrophobicContact CD2-CE1 3.65Å; Y228-F311 AromaticContact CD2-CZ 3.74Å; Y228-F311 HydrophobicContact CD2-CZ 3.74Å; Y228-F311 HydrophobicContact CG-CE1 4.07Å; Y228-F311 AromaticContact CG-CZ 3.94Å; Y228-F311 HydrophobicContact CG-CZ 3.94Å
229	L	98.7	Very high	97.6	Very high	24 Å²	24	51.5 Å²	51.5	13%	0.126	24%	0.241	C	C	.	.	H	α-helix	trans	-58.3	-49.2	176.8	178.1	59.2	0	0	0	111.5	A225 Q226 R231 L232 L233 V308 F311 E312 I315	A225-L229 PolarHBondContact O-N 2.99Å; Q226-L229 PolarHBondContact O-N 3.1Å; L229-R231 PolarHBondContact O-N 2.97Å; L229-L232 PolarHBondContact O-N 2.89Å; L229-L233 HydrophobicContact CD1-CD1 4.17Å; L229-L233 HydrophobicContact CD1-CG 4.12Å; L229-L233 HydrophobicContact CG-CD1 4.09Å; L229-L233 HydrophobicContact CG-CG 4.47Å; L229-L233 WeakPolarHBondContact O-CG 3.32Å; L229-L233 PolarHBondContact O-N 3.14Å; L229-V308 HydrophobicContact CD1-CB 4.43Å; L229-V308 HydrophobicContact CD1-CG1 3.88Å; L229-F311 HydrophobicContact CB-CB 4.14Å; L229-F311 HydrophobicContact CD1-CB 4.38Å; L229-E312 HydrophobicContact CD1-CG 3.94Å; L229-E312 HydrophobicContact CD2-CG 3.8Å; L229-I315 HydrophobicContact CB-CD1 4Å; L229-I315 HydrophobicContact CD2-CD1 3.56Å; L229-I315 HydrophobicContact CG-CD1 4.43Å
230	I	98.6	Very high	97.8	Very high	84 Å²	84	51.5 Å²	51.5	43%	0.431	24%	0.243	S	C	.	.	H	α-helix	trans	-57.4	-42.1	177.1	-68.9	164.9	0	0	0	110.6	Q226 Y228 K234	Q226-I230 VanDerWaalsContact O-CG1 3.31Å; Q226-I230 WeakPolarHBondContact O-CG1 3.38Å; Q226-I230 PolarHBondContact O-N 3.36Å; Y228-I230 PolarHBondContact O-N 3.44Å; I230-K234 HydrophobicContact CG2-CD 4.39Å; I230-K234 WeakPolarHBondContact O-CG 3.01Å; I230-K234 PolarHBondContact O-N 3.3Å; I230-K234 VanDerWaalsContact O-N 3.15Å
231	R	98.6	Very high	98.1	Very high	37 Å²	37	51 Å²	51	14%	0.14	25%	0.247	C	C	.	.	H	α-helix	trans	-68.1	-40.7	179.2	-173.6	59.9	171.5	160.4	-0.8	112.2	S85 F86 N227 Y228 L229 K234 L235 N266 I267	S85-R231 PolarHBondContact O-NH2 2.68Å; F86-R231 VanDerWaalsContact CD1-NH2 3.34Å; N227-R231 WeakPolarHBondContact O-CB 3.48Å; N227-R231 PolarHBondContact O-N 2.71Å; Y228-R231 PolarHBondContact O-N 3.03Å; Y228-R231 VanDerWaalsContact O-N 3.17Å; L229-R231 PolarHBondContact O-N 2.97Å; R231-K234 PolarHBondContact O-N 3.4Å; R231-L235 WeakPolarHBondContact O-CB 3.48Å; R231-L235 PolarHBondContact O-N 2.9Å; R231-N266 WeakPolarHBondContact CD-OD1 3.36Å; R231-N266 PolarHBondContact NE-OD1 3.39Å; R231-N266 PolarHBondContact NH2-OD1 3.15Å; R231-I267 HydrophobicContact CB-CD1 4.17Å; R231-I267 HydrophobicContact CB-CG1 4.41Å; R231-I267 HydrophobicContact CG-CB 3.87Å; R231-I267 HydrophobicContact CG-CD1 4.13Å; R231-I267 HydrophobicContact CG-CG1 3.99Å; R231-I267 PolarHBondContact NE-O 3.1Å; R231-I267 PolarHBondContact NH2-O 2.77Å
232	L	98.8	Very high	98.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-63.7	-43.6	175.4	-77.3	169.2	0	0	0	112.1	Y228 L229 K234 L235 R236 L255 F257 I267 L307 V308 F311	Y228-L232 WeakPolarHBondContact O-CG 3.23Å; Y228-L232 PolarHBondContact O-N 2.57Å; L229-L232 PolarHBondContact O-N 2.89Å; L232-K234 VanDerWaalsContact C-N 3.34Å; L232-K234 PolarHBondContact O-N 3.07Å; L232-L235 WeakPolarHBondContact O-CB 3.26Å; L232-L235 PolarHBondContact O-N 2.75Å; L232-R236 WeakPolarHBondContact O-CB 3.4Å; L232-R236 PolarHBondContact O-N 3.23Å; L232-L255 HydrophobicContact CD2-CD1 4.04Å; L232-F257 HydrophobicContact CD1-CE1 4.46Å; L232-F257 HydrophobicContact CD2-CZ 4.46Å; L232-I267 HydrophobicContact CD1-CD1 4.34Å; L232-I267 HydrophobicContact CD2-CD1 3.73Å; L232-I267 HydrophobicContact CG-CD1 3.53Å; L232-L307 HydrophobicContact CD1-CB 3.96Å; L232-L307 HydrophobicContact CD2-CB 4.35Å; L232-V308 HydrophobicContact CB-CG2 3.9Å; L232-F311 HydrophobicContact CD1-CD2 3.43Å; L232-F311 VanDerWaalsContact CD1-CD2 3.43Å; L232-F311 HydrophobicContact CD1-CE2 3.81Å; L232-F311 HydrophobicContact CD1-CG 4.43Å
233	L	98.8	Very high	98.3	Very high	56 Å²	56	46.3 Å²	46.3	29%	0.293	23%	0.232	S	C	.	.	H	α-helix	trans	-61.7	-42.5	177.4	-69.4	171.8	0	0	0	111.7	L229 R236 T237 V308	L229-L233 HydrophobicContact CD1-CD1 4.17Å; L229-L233 HydrophobicContact CD1-CG 4.12Å; L229-L233 HydrophobicContact CG-CD1 4.09Å; L229-L233 HydrophobicContact CG-CG 4.47Å; L229-L233 WeakPolarHBondContact O-CG 3.32Å; L229-L233 PolarHBondContact O-N 3.14Å; L233-R236 VanDerWaalsContact CD2-NH2 3.27Å; L233-T237 PolarHBondContact O-N 3.02Å; L233-T237 VanDerWaalsContact O-N 3.13Å; L233-T237 PolarHBondContact O-OG1 3.23Å; L233-V308 HydrophobicContact CD2-CG1 3.89Å; L233-V308 HydrophobicContact CD2-CG2 4.2Å
234	K	98.7	Very high	98.4	Very high	123 Å²	123	43.4 Å²	43.4	54%	0.535	22%	0.217	S	C	.	.	H	α-helix	trans	-64	-44	173.1	-70.5	177.4	179.6	-179.6	0	111.4	F86 I230 R231 L232 T237 I238	F86-K234 HydrophobicContact CE1-CB 4.41Å; F86-K234 HydrophobicContact CZ-CB 3.95Å; I230-K234 HydrophobicContact CG2-CD 4.39Å; I230-K234 WeakPolarHBondContact O-CG 3.01Å; I230-K234 PolarHBondContact O-N 3.3Å; I230-K234 VanDerWaalsContact O-N 3.15Å; R231-K234 PolarHBondContact O-N 3.4Å; L232-K234 VanDerWaalsContact C-N 3.34Å; L232-K234 PolarHBondContact O-N 3.07Å; K234-T237 PolarHBondContact O-N 2.99Å; K234-I238 WeakPolarHBondContact O-CG1 3.43Å; K234-I238 PolarHBondContact O-N 3.15Å; K234-I238 VanDerWaalsContact O-N 3.11Å
235	L	98.7	Very high	98.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-58.9	-49.8	177.1	172.7	58.9	0	0	0	111	L83 F86 R231 L232 T237 I238 L239 L255 L269 I304	L83-L235 HydrophobicContact CD2-CD1 4.33Å; F86-L235 HydrophobicContact CB-CD1 4.06Å; F86-L235 HydrophobicContact CD1-CB 3.76Å; F86-L235 HydrophobicContact CD1-CD1 3.58Å; F86-L235 HydrophobicContact CD1-CG 4.17Å; F86-L235 HydrophobicContact CE1-CB 3.49Å; F86-L235 VanDerWaalsContact CE1-CB 3.49Å; F86-L235 HydrophobicContact CE1-CD1 4.11Å; F86-L235 HydrophobicContact CE1-CG 4.37Å; F86-L235 HydrophobicContact CG-CD1 3.83Å; F86-L235 HydrophobicContact CZ-CB 4.31Å; R231-L235 WeakPolarHBondContact O-CB 3.48Å; R231-L235 PolarHBondContact O-N 2.9Å; L232-L235 WeakPolarHBondContact O-CB 3.26Å; L232-L235 PolarHBondContact O-N 2.75Å; L235-T237 VanDerWaalsContact C-N 3.34Å; L235-T237 PolarHBondContact O-N 3.24Å; L235-I238 PolarHBondContact O-N 3.27Å; L235-I238 VanDerWaalsContact O-N 3.1Å; L235-L239 HydrophobicContact CD1-CD1 3.78Å; L235-L239 HydrophobicContact CD1-CD2 4.31Å; L235-L239 HydrophobicContact CD1-CG 3.78Å; L235-L239 HydrophobicContact CD2-CD1 4.39Å; L235-L239 HydrophobicContact CG-CD1 3.72Å; L235-L239 HydrophobicContact CG-CG 4.22Å; L235-L239 WeakPolarHBondContact O-CG 3.14Å; L235-L239 PolarHBondContact O-N 2.66Å; L235-L255 HydrophobicContact CD2-CD1 4.14Å; L235-L255 HydrophobicContact CD2-CD2 3.63Å; L235-L269 HydrophobicContact CD1-CD1 3.59Å; L235-I304 HydrophobicContact CD2-CD1 4.12Å
236	R	98.7	Very high	98.4	Very high	65 Å²	65	44.2 Å²	44.2	25%	0.245	22%	0.223	C	C	.	.	H	α-helix	trans	-53.6	-50.9	178.2	-176.2	172.9	65.7	-173.3	-0.1	111.5	L232 L233 I238 L239 E240 L301 I304 D305	L232-R236 WeakPolarHBondContact O-CB 3.4Å; L232-R236 PolarHBondContact O-N 3.23Å; L233-R236 VanDerWaalsContact CD2-NH2 3.27Å; R236-I238 PolarHBondContact O-N 2.71Å; R236-L239 PolarHBondContact O-N 2.89Å; R236-E240 VanDerWaalsContact O-CG 3.31Å; R236-E240 WeakPolarHBondContact O-CG 3.34Å; R236-E240 PolarHBondContact O-N 2.85Å; R236-L301 HydrophobicContact CG-CD2 4.39Å; R236-I304 HydrophobicContact CB-CG2 3.82Å; R236-I304 HydrophobicContact CG-CG2 4.22Å; R236-D305 WeakPolarHBondContact CD-OD1 3.46Å; R236-D305 IonicContact CZ-OD1 3.84Å; R236-D305 IonicContact NE-OD1 2.72Å; R236-D305 IonicContact NH1-OD1 3.08Å; R236-D305 PolarHBondContact NH1-OD1 3.35Å
237	T	98.5	Very high	98.4	Very high	78 Å²	78	44.5 Å²	44.5	48%	0.479	22%	0.224	S	C	.	.	H	α-helix	trans	-57.3	-40.9	179.1	-53.5	0	0	0	0	111.6	L233 K234 L235 V241	L233-T237 PolarHBondContact O-N 3.02Å; L233-T237 VanDerWaalsContact O-N 3.13Å; L233-T237 PolarHBondContact O-OG1 3.23Å; K234-T237 PolarHBondContact O-N 2.99Å; L235-T237 VanDerWaalsContact C-N 3.34Å; L235-T237 PolarHBondContact O-N 3.24Å; T237-V241 WeakPolarHBondContact O-CG2 3.46Å; T237-V241 PolarHBondContact O-N 3.27Å
238	I	98.5	Very high	98.4	Very high	35 Å²	35	43 Å²	43	18%	0.179	22%	0.215	C	C	.	.	H	α-helix	trans	-75.4	-37.2	-177.1	-64.4	-74.9	0	0	0	111.5	I82 L83 F86 K234 L235 R236 V241 S242	I82-I238 HydrophobicContact CB-CG2 4.4Å; I82-I238 HydrophobicContact CD1-CD1 3.69Å; I82-I238 HydrophobicContact CG1-CD1 3.87Å; I82-I238 HydrophobicContact CG1-CG2 4.1Å; I82-I238 HydrophobicContact CG2-CG2 3.87Å; L83-I238 HydrophobicContact CD2-CG2 3.81Å; L83-I238 HydrophobicContact CG-CG2 4.27Å; F86-I238 HydrophobicContact CD2-CB 4.49Å; F86-I238 HydrophobicContact CD2-CG2 4.16Å; F86-I238 HydrophobicContact CE2-CB 4Å; F86-I238 HydrophobicContact CE2-CG1 3.75Å; F86-I238 HydrophobicContact CE2-CG2 4.05Å; F86-I238 HydrophobicContact CZ-CG1 4.18Å; K234-I238 WeakPolarHBondContact O-CG1 3.43Å; K234-I238 PolarHBondContact O-N 3.15Å; K234-I238 VanDerWaalsContact O-N 3.11Å; L235-I238 PolarHBondContact O-N 3.27Å; L235-I238 VanDerWaalsContact O-N 3.1Å; R236-I238 PolarHBondContact O-N 2.71Å; I238-V241 PolarHBondContact O-N 3.47Å; I238-S242 VanDerWaalsContact O-CB 3.29Å; I238-S242 WeakPolarHBondContact O-CB 3.39Å; I238-S242 PolarHBondContact O-N 3.36Å
239	L	98.6	Very high	98.3	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.01	22%	0.216	C	C	.	.	H	α-helix	trans	-61	-45.6	172.3	-72.4	167.6	0	0	0	110.9	L83 L235 R236 V241 S242 F245 L269 Y300 L301 I304	L83-L239 HydrophobicContact CD1-CD2 4.12Å; L83-L239 HydrophobicContact CD2-CD2 3.6Å; L83-L239 HydrophobicContact CD2-CG 4.09Å; L83-L239 HydrophobicContact CG-CD2 4.49Å; L235-L239 HydrophobicContact CD1-CD1 3.78Å; L235-L239 HydrophobicContact CD1-CD2 4.31Å; L235-L239 HydrophobicContact CD1-CG 3.78Å; L235-L239 HydrophobicContact CD2-CD1 4.39Å; L235-L239 HydrophobicContact CG-CD1 3.72Å; L235-L239 HydrophobicContact CG-CG 4.22Å; L235-L239 WeakPolarHBondContact O-CG 3.14Å; L235-L239 PolarHBondContact O-N 2.66Å; R236-L239 PolarHBondContact O-N 2.89Å; L239-V241 PolarHBondContact O-N 2.95Å; L239-S242 PolarHBondContact O-N 3.5Å; L239-S242 VanDerWaalsContact O-N 3.17Å; L239-F245 HydrophobicContact CB-CD1 3.87Å; L239-F245 HydrophobicContact CB-CE1 3.84Å; L239-F245 HydrophobicContact CB-CG 4.38Å; L239-F245 HydrophobicContact CB-CZ 4.37Å; L239-F245 HydrophobicContact CD2-CB 4.46Å; L239-F245 HydrophobicContact CD2-CD1 4.06Å; L239-F245 HydrophobicContact CD2-CD2 3.53Å; L239-F245 HydrophobicContact CD2-CE1 4.11Å; L239-F245 HydrophobicContact CD2-CE2 3.65Å; L239-F245 HydrophobicContact CD2-CG 3.77Å; L239-F245 HydrophobicContact CD2-CZ 3.92Å; L239-F245 HydrophobicContact CG-CE1 4.44Å; L239-F245 VanDerWaalsContact O-CD1 3.23Å; L239-F245 WeakPolarHBondContact O-CD1 3.48Å; L239-L269 HydrophobicContact CD2-CD2 4.28Å; L239-Y300 HydrophobicContact CD1-CD1 4.31Å; L239-Y300 HydrophobicContact CD1-CE1 4.06Å; L239-L301 HydrophobicContact CB-CD2 3.91Å; L239-L301 HydrophobicContact CD1-CD2 3.9Å; L239-I304 HydrophobicContact CD1-CD1 4.44Å; L239-I304 HydrophobicContact CD1-CG1 4Å
240	E	98.2	Very high	98.3	Very high	95 Å²	95	42 Å²	42	44%	0.444	21%	0.21	S	C	.	.	H	α-helix	trans	-61.2	-27.1	-178	-74.5	172	160.2	0	0	114	R236 R288 L301	R236-E240 VanDerWaalsContact O-CG 3.31Å; R236-E240 WeakPolarHBondContact O-CG 3.34Å; R236-E240 PolarHBondContact O-N 2.85Å; E240-R288 IonicContact OE1-CZ 3.03Å; E240-R288 VanDerWaalsContact OE1-CZ 3.25Å; E240-R288 IonicContact OE1-NH1 3.37Å; E240-R288 PolarHBondContact OE1-NH1 3.02Å; E240-R288 IonicContact OE1-NH2 2.83Å; E240-R288 PolarHBondContact OE1-NH2 3.21Å; E240-L301 HydrophobicContact CG-CD1 3.97Å
241	V	97.8	Very high	98.2	Very high	98 Å²	98	38 Å²	38	59%	0.594	19%	0.189	S	C	*	.	H	α-helix	trans	-106.6	-1.3	178.9	-55.5	0	0	0	0	113.6	I82 T237 I238 L239 D243	I82-V241 HydrophobicContact CD1-CG2 4.14Å; T237-V241 WeakPolarHBondContact O-CG2 3.46Å; T237-V241 PolarHBondContact O-N 3.27Å; I238-V241 PolarHBondContact O-N 3.47Å; L239-V241 PolarHBondContact O-N 2.95Å; V241-D243 PolarHBondContact O-N 3.4Å
242	S	98.4	Very high	98.1	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.014	19%	0.189	C	C	.	.			trans	-75.1	120	-179.6	171	0	0	0	0	110.6	D81 L83 I238 L239 F244 F245 A246	D81-S242 PolarHBondContact OD1-OG 2.8Å; D81-S242 VanDerWaalsContact OD1-OG 3.13Å; D81-S242 PolarHBondContact OD2-OG 3.14Å; L83-S242 WeakPolarHBondContact CD1-OG 3.38Å; I238-S242 VanDerWaalsContact O-CB 3.29Å; I238-S242 WeakPolarHBondContact O-CB 3.39Å; I238-S242 PolarHBondContact O-N 3.36Å; L239-S242 PolarHBondContact O-N 3.5Å; L239-S242 VanDerWaalsContact O-N 3.17Å; S242-F244 VanDerWaalsContact C-N 3.31Å; S242-F244 PolarHBondContact OG-N 2.84Å; S242-F245 PolarHBondContact O-N 3.29Å; S242-F245 WeakPolarHBondContact OG-CB 3.26Å; S242-F245 PolarHBondContact OG-N 3.47Å; S242-A246 PolarHBondContact O-N 3.06Å; S242-A246 VanDerWaalsContact O-N 3.13Å
243	D	97.3	Very high	98	Very high	69 Å²	69	36.9 Å²	36.9	37%	0.369	19%	0.189	S	C	.	.	H	α-helix	trans	-70.1	-32.8	174.7	-172.8	64.7	0	0	0	111.4	V241 K247 R284	V241-D243 PolarHBondContact O-N 3.4Å; D243-K247 WeakPolarHBondContact O-CB 3.28Å; D243-K247 WeakPolarHBondContact O-CG 3.02Å; D243-K247 PolarHBondContact O-N 2.87Å; D243-K247 VanDerWaalsContact OD1-CE 3.28Å; D243-K247 WeakPolarHBondContact OD1-CE 3.35Å; D243-K247 IonicContact OD1-NZ 3.39Å; D243-K247 PolarHBondContact OD1-NZ 2.8Å; D243-K247 VanDerWaalsContact OD2-CE 3.22Å; D243-K247 WeakPolarHBondContact OD2-CE 3.28Å; D243-K247 IonicContact OD2-NZ 3.51Å; D243-K247 PolarHBondContact OD2-NZ 3.11Å; D243-R284 IonicContact OD1-CZ 2.98Å; D243-R284 VanDerWaalsContact OD1-CZ 3.3Å; D243-R284 IonicContact OD1-NH1 3.3Å; D243-R284 PolarHBondContact OD1-NH1 3.38Å; D243-R284 IonicContact OD1-NH2 3.87Å; D243-R284 PolarHBondContact OD1-NH2 2.95Å
244	F	97.9	Very high	98	Very high	17 Å²	17	34.2 Å²	34.2	8%	0.075	18%	0.175	C	C	.	.	H	α-helix	trans	-58.6	-54.1	170	-178.6	-87.7	0	0	0	110.4	C74 Q77 L78 D81 L83 S242 A246 K247 H248 F250 I275	C74-F244 WeakPolarHBondContact SG-CZ 3.4Å; Q77-F244 HydrophobicContact CB-CD2 3.98Å; Q77-F244 HydrophobicContact CB-CE2 3.66Å; L78-F244 HydrophobicContact CD1-CE1 4.43Å; L78-F244 HydrophobicContact CD2-CD1 3.54Å; L78-F244 HydrophobicContact CD2-CE1 3.67Å; L78-F244 HydrophobicContact CD2-CG 4.13Å; L78-F244 HydrophobicContact CD2-CZ 4.35Å; L78-F244 HydrophobicContact CG-CD1 4.2Å; L78-F244 HydrophobicContact CG-CE1 3.94Å; L78-F244 HydrophobicContact CG-CZ 4.13Å; D81-F244 HydrophobicContact CB-CB 3.91Å; D81-F244 VanDerWaalsContact CG-CB 3.44Å; D81-F244 VanDerWaalsContact OD1-CB 3.29Å; D81-F244 WeakPolarHBondContact OD1-CB 3.43Å; D81-F244 PolarHBondContact OD1-N 3.48Å; L83-F244 HydrophobicContact CD1-CD1 4.44Å; S242-F244 VanDerWaalsContact C-N 3.31Å; S242-F244 PolarHBondContact OG-N 2.84Å; F244-A246 PolarHBondContact O-N 2.93Å; F244-K247 PolarHBondContact O-N 3.46Å; F244-K247 VanDerWaalsContact O-N 3.13Å; F244-H248 AromaticContact CD2-CE1 3.44Å; F244-H248 VanDerWaalsContact CD2-CE1 3.44Å; F244-H248 WeakPolarHBondContact CD2-CE1 3.13Å; F244-H248 AromaticContact CD2-ND1 3.74Å; F244-H248 HydrophobicContact CE1-CB 4.44Å; F244-H248 AromaticContact CE1-ND1 3.94Å; F244-H248 AromaticContact CE2-CE1 3.23Å; F244-H248 WeakPolarHBondContact CE2-CE1 3.24Å; F244-H248 AromaticContact CE2-ND1 3.67Å; F244-H248 AromaticContact CE2-NE2 3.54Å; F244-H248 AromaticContact CG-ND1 3.89Å; F244-H248 AromaticContact CZ-CD2 3.88Å; F244-H248 AromaticContact CZ-CE1 3.69Å; F244-H248 AromaticContact CZ-CG 3.87Å; F244-H248 AromaticContact CZ-ND1 3.75Å; F244-H248 AromaticContact CZ-NE2 3.78Å; F244-H248 PolarHBondContact O-N 2.91Å; F244-H248 PolarHBondContact O-ND1 2.87Å; F244-F250 HydrophobicContact CD1-CE2 4.09Å; F244-F250 AromaticContact CD1-CZ 3.89Å; F244-F250 HydrophobicContact CD1-CZ 3.89Å; F244-F250 AromaticContact CE1-CE2 3.79Å; F244-F250 HydrophobicContact CE1-CE2 3.79Å; F244-F250 AromaticContact CE1-CZ 3.57Å; F244-F250 HydrophobicContact CE1-CZ 3.57Å; F244-I275 HydrophobicContact CE1-CG2 4.45Å; F244-I275 HydrophobicContact CZ-CG2 4.4Å
245	F	98.4	Very high	97.9	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.009	15%	0.149	C	C	.	.	H	α-helix	trans	-55.7	-53.9	-177	-171.3	-119.9	0	0	0	111.5	L83 L239 S242 K247 H248 F250 H287 Y300 L301	L83-F245 HydrophobicContact CD1-CB 4.16Å; L239-F245 HydrophobicContact CB-CD1 3.87Å; L239-F245 HydrophobicContact CB-CE1 3.84Å; L239-F245 HydrophobicContact CB-CG 4.38Å; L239-F245 HydrophobicContact CB-CZ 4.37Å; L239-F245 HydrophobicContact CD2-CB 4.46Å; L239-F245 HydrophobicContact CD2-CD1 4.06Å; L239-F245 HydrophobicContact CD2-CD2 3.53Å; L239-F245 HydrophobicContact CD2-CE1 4.11Å; L239-F245 HydrophobicContact CD2-CE2 3.65Å; L239-F245 HydrophobicContact CD2-CG 3.77Å; L239-F245 HydrophobicContact CD2-CZ 3.92Å; L239-F245 HydrophobicContact CG-CE1 4.44Å; L239-F245 VanDerWaalsContact O-CD1 3.23Å; L239-F245 WeakPolarHBondContact O-CD1 3.48Å; S242-F245 PolarHBondContact O-N 3.29Å; S242-F245 WeakPolarHBondContact OG-CB 3.26Å; S242-F245 PolarHBondContact OG-N 3.47Å; F245-K247 PolarHBondContact O-N 3.29Å; F245-H248 PolarHBondContact O-N 3.08Å; F245-F250 HydrophobicContact CD2-CD1 4.1Å; F245-F250 AromaticContact CD2-CD2 3.57Å; F245-F250 HydrophobicContact CD2-CD2 3.57Å; F245-F250 AromaticContact CD2-CE1 3.92Å; F245-F250 HydrophobicContact CD2-CE1 3.92Å; F245-F250 AromaticContact CD2-CE2 3.38Å; F245-F250 HydrophobicContact CD2-CE2 3.38Å; F245-F250 AromaticContact CD2-CG 3.94Å; F245-F250 HydrophobicContact CD2-CG 3.94Å; F245-F250 AromaticContact CD2-CZ 3.56Å; F245-F250 HydrophobicContact CD2-CZ 3.56Å; F245-F250 HydrophobicContact CE2-CB 4.23Å; F245-F250 AromaticContact CE2-CD1 3.88Å; F245-F250 HydrophobicContact CE2-CD1 3.88Å; F245-F250 AromaticContact CE2-CD2 3.74Å; F245-F250 HydrophobicContact CE2-CD2 3.74Å; F245-F250 HydrophobicContact CE2-CE1 4.14Å; F245-F250 HydrophobicContact CE2-CE2 4.02Å; F245-F250 AromaticContact CE2-CG 3.67Å; F245-F250 HydrophobicContact CE2-CG 3.67Å; F245-F250 HydrophobicContact CE2-CZ 4.2Å; F245-F250 HydrophobicContact CG-CE2 4.34Å; F245-H287 AromaticContact CD1-CD2 3.35Å; F245-H287 WeakPolarHBondContact CD1-CD2 3.48Å; F245-H287 AromaticContact CD1-NE2 3.43Å; F245-H287 WeakPolarHBondContact CD1-NE2 3.4Å; F245-H287 AromaticContact CD2-NE2 3.94Å; F245-H287 HydrophobicContact CE1-CB 3.8Å; F245-H287 AromaticContact CE1-CD2 3Å; F245-H287 WeakPolarHBondContact CE1-CD2 3.48Å; F245-H287 AromaticContact CE1-CE1 3.95Å; F245-H287 AromaticContact CE1-CG 3.31Å; F245-H287 AromaticContact CE1-ND1 3.9Å; F245-H287 AromaticContact CE1-NE2 3.46Å; F245-H287 WeakPolarHBondContact CE1-NE2 3.41Å; F245-H287 AromaticContact CE2-CE1 3.73Å; F245-H287 AromaticContact CE2-ND1 3.85Å; F245-H287 AromaticContact CE2-NE2 3.93Å; F245-H287 AromaticContact CG-NE2 3.69Å; F245-H287 HydrophobicContact CZ-CB 3.8Å; F245-H287 AromaticContact CZ-CD2 3.47Å; F245-H287 VanDerWaalsContact CZ-CD2 3.47Å; F245-H287 WeakPolarHBondContact CZ-CD2 3.36Å; F245-H287 AromaticContact CZ-CE1 3.7Å; F245-H287 AromaticContact CZ-CG 3.31Å; F245-H287 AromaticContact CZ-ND1 3.49Å; F245-H287 WeakPolarHBondContact CZ-ND1 3.49Å; F245-H287 AromaticContact CZ-NE2 3.71Å; F245-H287 PolarHBondContact O-CE1 3.04Å; F245-H287 PolarHBondContact O-NE2 2.86Å; F245-Y300 AromaticContact CE2-CD1 3.86Å; F245-Y300 HydrophobicContact CE2-CD1 3.86Å; F245-Y300 HydrophobicContact CE2-CE1 4.36Å; F245-Y300 HydrophobicContact CE2-CG 4.05Å; F245-Y300 AromaticContact CZ-CD1 3.69Å; F245-Y300 HydrophobicContact CZ-CD1 3.69Å; F245-Y300 AromaticContact CZ-CG 3.99Å; F245-Y300 HydrophobicContact CZ-CG 3.99Å; F245-L301 HydrophobicContact CE1-CD1 3.96Å; F245-L301 HydrophobicContact CE1-CD2 4.18Å; F245-L301 HydrophobicContact CE1-CG 3.8Å; F245-L301 HydrophobicContact CZ-CG 4.17Å
246	A	98.2	Very high	97.9	Very high	16 Å²	16	29 Å²	29	13%	0.132	15%	0.153	C	C	.	.	H	α-helix	trans	-62.6	-14.5	-178.4	0	0	0	0	0	115	S242 F244 R284 V285	S242-A246 PolarHBondContact O-N 3.06Å; S242-A246 VanDerWaalsContact O-N 3.13Å; F244-A246 PolarHBondContact O-N 2.93Å; A246-R284 CarbonylContact O-C 3.46Å; A246-R284 WeakPolarHBondContact O-CA 3.16Å; A246-V285 PolarHBondContact O-N 3.27Å
247	K	97.8	Very high	97.9	Very high	81 Å²	81	25.9 Å²	25.9	35%	0.352	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	0.2	178.1	-73.8	176.1	176.3	170	0	113.5	D243 F244 F245 P278	D243-K247 WeakPolarHBondContact O-CB 3.28Å; D243-K247 WeakPolarHBondContact O-CG 3.02Å; D243-K247 PolarHBondContact O-N 2.87Å; D243-K247 VanDerWaalsContact OD1-CE 3.28Å; D243-K247 WeakPolarHBondContact OD1-CE 3.35Å; D243-K247 IonicContact OD1-NZ 3.39Å; D243-K247 PolarHBondContact OD1-NZ 2.8Å; D243-K247 VanDerWaalsContact OD2-CE 3.22Å; D243-K247 WeakPolarHBondContact OD2-CE 3.28Å; D243-K247 IonicContact OD2-NZ 3.51Å; D243-K247 PolarHBondContact OD2-NZ 3.11Å; F244-K247 PolarHBondContact O-N 3.46Å; F244-K247 VanDerWaalsContact O-N 3.13Å; F245-K247 PolarHBondContact O-N 3.29Å; K247-P278 WeakPolarHBondContact O-CD 3.41Å
248	H	98	Very high	97.9	Very high	19 Å²	19	22.1 Å²	22.1	9%	0.088	12%	0.118	C	C	.	.	S	Bend	trans	-126.5	150.2	-174.6	-70.1	82.3	0	0	0	111.4	F244 F245 F250 I275 G276 T277 H287	F244-H248 AromaticContact CD2-CE1 3.44Å; F244-H248 VanDerWaalsContact CD2-CE1 3.44Å; F244-H248 WeakPolarHBondContact CD2-CE1 3.13Å; F244-H248 AromaticContact CD2-ND1 3.74Å; F244-H248 HydrophobicContact CE1-CB 4.44Å; F244-H248 AromaticContact CE1-ND1 3.94Å; F244-H248 AromaticContact CE2-CE1 3.23Å; F244-H248 WeakPolarHBondContact CE2-CE1 3.24Å; F244-H248 AromaticContact CE2-ND1 3.67Å; F244-H248 AromaticContact CE2-NE2 3.54Å; F244-H248 AromaticContact CG-ND1 3.89Å; F244-H248 AromaticContact CZ-CD2 3.88Å; F244-H248 AromaticContact CZ-CE1 3.69Å; F244-H248 AromaticContact CZ-CG 3.87Å; F244-H248 AromaticContact CZ-ND1 3.75Å; F244-H248 AromaticContact CZ-NE2 3.78Å; F244-H248 PolarHBondContact O-N 2.91Å; F244-H248 PolarHBondContact O-ND1 2.87Å; F245-H248 PolarHBondContact O-N 3.08Å; H248-F250 HydrophobicContact CB-CD2 4Å; H248-F250 HydrophobicContact CB-CE2 3.75Å; H248-I275 HydrophobicContact CB-CG2 3.76Å; H248-G276 CarbonylContact C-O 3.22Å; H248-G276 VanDerWaalsContact CA-O 3.24Å; H248-G276 WeakPolarHBondContact CA-O 3.48Å; H248-G276 WeakPolarHBondContact CB-O 3.48Å; H248-G276 PolarHBondContact CD2-O 3.11Å; H248-T277 PolarHBondContact CD2-OG1 3.48Å; H248-H287 PolarHBondContact O-CE1 3.26Å
249	E	97.6	Very high	97.8	Very high	3 Å²	3	20.8 Å²	20.8	1%	0.014	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	112.7	170.4	165.8	-176.5	-136.4	0	0	108	R124 S127 E128 I251 I275 G276	R124-E249 IonicContact CZ-OE1 2.76Å; R124-E249 IonicContact NH1-OE1 3.81Å; R124-E249 PolarHBondContact NH1-OE1 2.86Å; R124-E249 IonicContact NH2-OE1 3.04Å; R124-E249 PolarHBondContact NH2-OE1 3.24Å; S127-E249 WeakPolarHBondContact CA-OE1 3.32Å; E128-E249 PolarHBondContact N-OE1 2.62Å; E249-I251 HydrophobicContact CG-CG1 3.59Å; E249-I251 PolarHBondContact O-N 3.46Å; E249-I275 WeakPolarHBondContact O-CA 3.35Å; E249-G276 PolarHBondContact N-O 3.4Å; E249-G276 PolarHBondContact O-N 3.29Å
250	F	98	Very high	97.7	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	82	-175.4	-89.9	-114.9	0	0	0	112.3	F244 F245 H248 L269 I275 D298 Y300	F244-F250 HydrophobicContact CD1-CE2 4.09Å; F244-F250 AromaticContact CD1-CZ 3.89Å; F244-F250 HydrophobicContact CD1-CZ 3.89Å; F244-F250 AromaticContact CE1-CE2 3.79Å; F244-F250 HydrophobicContact CE1-CE2 3.79Å; F244-F250 AromaticContact CE1-CZ 3.57Å; F244-F250 HydrophobicContact CE1-CZ 3.57Å; F245-F250 HydrophobicContact CD2-CD1 4.1Å; F245-F250 AromaticContact CD2-CD2 3.57Å; F245-F250 HydrophobicContact CD2-CD2 3.57Å; F245-F250 AromaticContact CD2-CE1 3.92Å; F245-F250 HydrophobicContact CD2-CE1 3.92Å; F245-F250 AromaticContact CD2-CE2 3.38Å; F245-F250 HydrophobicContact CD2-CE2 3.38Å; F245-F250 AromaticContact CD2-CG 3.94Å; F245-F250 HydrophobicContact CD2-CG 3.94Å; F245-F250 AromaticContact CD2-CZ 3.56Å; F245-F250 HydrophobicContact CD2-CZ 3.56Å; F245-F250 HydrophobicContact CE2-CB 4.23Å; F245-F250 AromaticContact CE2-CD1 3.88Å; F245-F250 HydrophobicContact CE2-CD1 3.88Å; F245-F250 AromaticContact CE2-CD2 3.74Å; F245-F250 HydrophobicContact CE2-CD2 3.74Å; F245-F250 HydrophobicContact CE2-CE1 4.14Å; F245-F250 HydrophobicContact CE2-CE2 4.02Å; F245-F250 AromaticContact CE2-CG 3.67Å; F245-F250 HydrophobicContact CE2-CG 3.67Å; F245-F250 HydrophobicContact CE2-CZ 4.2Å; F245-F250 HydrophobicContact CG-CE2 4.34Å; H248-F250 HydrophobicContact CB-CD2 4Å; H248-F250 HydrophobicContact CB-CE2 3.75Å; F250-L269 HydrophobicContact CE1-CD2 3.95Å; F250-I275 HydrophobicContact CB-CD1 4.03Å; F250-I275 HydrophobicContact CD1-CD1 3.58Å; F250-I275 HydrophobicContact CD2-CD1 4.23Å; F250-I275 HydrophobicContact CD2-CG2 4.24Å; F250-I275 HydrophobicContact CE1-CD1 4.04Å; F250-I275 HydrophobicContact CE2-CG2 4.13Å; F250-I275 HydrophobicContact CG-CD1 3.68Å; F250-D298 WeakPolarHBondContact CA-OD2 3.28Å; F250-D298 WeakPolarHBondContact CB-OD2 3.36Å; F250-D298 PolarHBondContact N-OD2 2.93Å; F250-Y300 HydrophobicContact CB-CD2 3.61Å; F250-Y300 HydrophobicContact CB-CE2 4.11Å; F250-Y300 HydrophobicContact CB-CG 4.21Å; F250-Y300 HydrophobicContact CD1-CD2 4.28Å; F250-Y300 HydrophobicContact CD1-CE2 4.01Å; F250-Y300 HydrophobicContact CG-CD2 4.36Å
251	I	97.5	Very high	97.4	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.121	C	C	.	.			trans	-106.1	136.1	178.8	-63.4	-67.1	0	0	0	111.9	R124 E249 S253 K274 D298	R124-I251 HydrophobicContact CG-CD1 3.68Å; R124-I251 WeakPolarHBondContact O-CD1 3.22Å; E249-I251 HydrophobicContact CG-CG1 3.59Å; E249-I251 PolarHBondContact O-N 3.46Å; I251-S253 PolarHBondContact O-N 2.74Å; I251-S253 VanDerWaalsContact O-N 3.14Å; I251-K274 HydrophobicContact CG2-CB 4.4Å; I251-K274 HydrophobicContact CG2-CD 4.31Å; I251-K274 CarbonylContact O-C 3.31Å; I251-K274 WeakPolarHBondContact O-CB 3.44Å; I251-D298 HydrophobicContact CD1-CB 4.03Å
252	G	95	Very high	97.2	Very high	13 Å²	13	22.6 Å²	22.6	13%	0.134	12%	0.123	C	C	.	.	S	Bend	trans	78.2	-8.3	169.3	0	0	0	0	0	115.7	K120	K120-G252 PolarHBondContact NZ-O 3.22Å
253	S	97.3	Very high	97	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.125	C	C	.	.			trans	-70.5	159.6	174.2	67	0	0	0	0	112.4	I121 I251 I270 D271 Y300	I121-S253 PolarHBondContact N-O 2.97Å; I121-S253 VanDerWaalsContact N-O 3.1Å; I251-S253 PolarHBondContact O-N 2.74Å; I251-S253 VanDerWaalsContact O-N 3.14Å; S253-I270 WeakPolarHBondContact CA-O 3.36Å; S253-I270 VanDerWaalsContact CB-O 3.28Å; S253-I270 WeakPolarHBondContact CB-O 3.48Å; S253-D271 VanDerWaalsContact CA-O 3.26Å; S253-D271 WeakPolarHBondContact CA-O 3.41Å; S253-D271 WeakPolarHBondContact CB-O 3.2Å; S253-Y300 VanDerWaalsContact OG-CE2 3.24Å; S253-Y300 WeakPolarHBondContact OG-CE2 3.49Å
254	S	98.1	Very high	96.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	157.7	-176.9	-73	0	0	0	0	111.7	D118 C119 K120 L269 I270	D118-S254 WeakPolarHBondContact OD1-CB 3.27Å; D118-S254 PolarHBondContact OD1-OG 2.83Å; C119-S254 CarbonylContact O-C 3.54Å; C119-S254 WeakPolarHBondContact O-CA 3.08Å; C119-S254 VanDerWaalsContact O-CB 3.32Å; C119-S254 WeakPolarHBondContact O-CB 3.15Å; K120-S254 WeakPolarHBondContact CA-OG 3.49Å; S254-L269 CarbonylContact O-C 3.49Å; S254-L269 WeakPolarHBondContact O-CA 3.46Å; S254-I270 PolarHBondContact N-O 3.38Å; S254-I270 PolarHBondContact O-N 3.23Å
255	L	98.6	Very high	96.9	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	125.4	158.2	-66.9	-178.7	0	0	0	109.9	C119 I121 L232 L235 F257 I267 W268 L269 I304 L307	C119-L255 PolarHBondContact N-O 2.72Å; C119-L255 PolarHBondContact O-N 3.32Å; I121-L255 HydrophobicContact CD1-CB 4.35Å; I121-L255 HydrophobicContact CD1-CD1 4.01Å; I121-L255 HydrophobicContact CD1-CG 4Å; I121-L255 HydrophobicContact CG1-CB 4.36Å; I121-L255 HydrophobicContact CG1-CD1 4.16Å; I121-L255 HydrophobicContact CG1-CG 3.75Å; L232-L255 HydrophobicContact CD2-CD1 4.04Å; L235-L255 HydrophobicContact CD2-CD1 4.14Å; L235-L255 HydrophobicContact CD2-CD2 3.63Å; L255-F257 HydrophobicContact CB-CD2 4.22Å; L255-F257 HydrophobicContact CB-CE2 3.65Å; L255-F257 HydrophobicContact CB-CZ 4.27Å; L255-F257 HydrophobicContact CD1-CE2 4.33Å; L255-F257 HydrophobicContact CD1-CZ 4.17Å; L255-I267 HydrophobicContact CB-CG2 3.88Å; L255-I267 HydrophobicContact CD1-CG2 4.13Å; L255-I267 HydrophobicContact CD2-CG2 3.87Å; L255-I267 HydrophobicContact CG-CG2 4.16Å; L255-W268 CarbonylContact C-O 3.45Å; L255-W268 WeakPolarHBondContact CA-O 3.28Å; L255-L269 HydrophobicContact CD2-CD1 4.5Å; L255-L269 HydrophobicContact CD2-CG 3.91Å; L255-I304 HydrophobicContact CD1-CD1 3.56Å; L255-I304 HydrophobicContact CG-CD1 4.46Å; L255-L307 HydrophobicContact CD1-CD1 3.84Å
256	L	98.3	Very high	96.9	Very high	13 Å²	13	25.1 Å²	25.1	7%	0.068	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	104.9	171.1	-168.4	72.1	0	0	0	109.4	L48 L107 I116 V258 I267 W268 I270	L48-L256 HydrophobicContact CD1-CD1 4.44Å; L107-L256 HydrophobicContact CB-CD2 4.44Å; L107-L256 HydrophobicContact CD1-CD2 3.78Å; I116-L256 HydrophobicContact CG2-CD1 3.52Å; I116-L256 HydrophobicContact CG2-CG 4.12Å; L256-V258 HydrophobicContact CD2-CG2 4.01Å; L256-V258 HydrophobicContact CG-CG2 3.92Å; L256-I267 WeakPolarHBondContact O-CA 3.12Å; L256-W268 PolarHBondContact N-O 3.44Å; L256-W268 PolarHBondContact O-N 3.4Å; L256-I270 HydrophobicContact CB-CD1 3.95Å; L256-I270 HydrophobicContact CB-CG1 4.24Å; L256-I270 HydrophobicContact CB-CG2 4.15Å; L256-I270 HydrophobicContact CD1-CD1 4.11Å; L256-I270 HydrophobicContact CG-CD1 4.45Å
257	F	98.4	Very high	96.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	126.1	172.5	-65.6	-99.9	0	0	0	109.1	I116 M117 C119 F214 F217 Y228 L232 L255 I267 L307 F311	I116-F257 CarbonylContact C-O 3.53Å; I116-F257 VanDerWaalsContact CA-O 3.28Å; I116-F257 WeakPolarHBondContact CA-O 3.3Å; M117-F257 HydrophobicContact CB-CB 4.12Å; M117-F257 HydrophobicContact CG-CD2 4.48Å; M117-F257 PolarHBondContact N-O 2.85Å; M117-F257 PolarHBondContact O-N 2.97Å; M117-F257 HydrophobicContact SD-CD2 4.47Å; C119-F257 HydrophobicContact CB-CD2 4.47Å; C119-F257 HydrophobicContact CB-CE2 3.94Å; F214-F257 HydrophobicContact CE1-CZ 4.41Å; F217-F257 HydrophobicContact CE1-CB 3.95Å; F217-F257 HydrophobicContact CZ-CB 4.16Å; Y228-F257 AromaticContact CD1-CD1 3.79Å; Y228-F257 HydrophobicContact CD1-CD1 3.79Å; Y228-F257 HydrophobicContact CD1-CE1 4.48Å; Y228-F257 HydrophobicContact CE1-CB 4Å; Y228-F257 AromaticContact CE1-CD1 3.78Å; Y228-F257 HydrophobicContact CE1-CD1 3.78Å; Y228-F257 HydrophobicContact CE1-CG 4.39Å; Y228-F257 HydrophobicContact CG-CD1 4.18Å; L232-F257 HydrophobicContact CD1-CE1 4.46Å; L232-F257 HydrophobicContact CD2-CZ 4.46Å; L255-F257 HydrophobicContact CB-CD2 4.22Å; L255-F257 HydrophobicContact CB-CE2 3.65Å; L255-F257 HydrophobicContact CB-CZ 4.27Å; L255-F257 HydrophobicContact CD1-CE2 4.33Å; L255-F257 HydrophobicContact CD1-CZ 4.17Å; F257-I267 HydrophobicContact CD1-CD1 3.73Å; F257-I267 HydrophobicContact CD1-CG1 3.72Å; F257-I267 HydrophobicContact CE1-CD1 3.4Å; F257-I267 VanDerWaalsContact CE1-CD1 3.4Å; F257-I267 HydrophobicContact CE1-CG1 3.91Å; F257-I267 HydrophobicContact CG-CG1 4.39Å; F257-I267 HydrophobicContact CZ-CD1 4.21Å; F257-L307 HydrophobicContact CZ-CD1 4.14Å; F257-L307 HydrophobicContact CZ-CD2 4.17Å; F257-F311 HydrophobicContact CD1-CE2 4.38Å; F257-F311 HydrophobicContact CD1-CZ 4.27Å; F257-F311 AromaticContact CE1-CE2 3.68Å; F257-F311 HydrophobicContact CE1-CE2 3.68Å; F257-F311 HydrophobicContact CE1-CZ 4.02Å; F257-F311 HydrophobicContact CZ-CE2 4.39Å
258	V	97.9	Very high	97	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	131.3	176.9	-166.3	0	0	0	0	109.6	L108 F111 P114 S115 I116 Y228 L256 A265 N266 W268	L108-V258 HydrophobicContact CD2-CB 4.36Å; L108-V258 HydrophobicContact CD2-CG1 3.63Å; L108-V258 HydrophobicContact CD2-CG2 3.75Å; F111-V258 HydrophobicContact CD1-CG1 3.72Å; F111-V258 HydrophobicContact CD2-CG1 3.77Å; F111-V258 HydrophobicContact CE1-CB 4.03Å; F111-V258 HydrophobicContact CE1-CG1 3.69Å; F111-V258 HydrophobicContact CE2-CB 4.05Å; F111-V258 HydrophobicContact CE2-CG1 3.74Å; F111-V258 HydrophobicContact CG-CG1 3.74Å; F111-V258 HydrophobicContact CZ-CB 3.75Å; F111-V258 HydrophobicContact CZ-CG1 3.69Å; P114-V258 HydrophobicContact CB-CG1 3.67Å; S115-V258 WeakPolarHBondContact O-CA 3.23Å; I116-V258 HydrophobicContact CG1-CG1 4.42Å; I116-V258 HydrophobicContact CG2-CG2 4.35Å; Y228-V258 WeakPolarHBondContact OH-CA 3.46Å; Y228-V258 PolarHBondContact OH-N 3.06Å; Y228-V258 VanDerWaalsContact OH-N 3.16Å; Y228-V258 PolarHBondContact OH-O 2.81Å; L256-V258 HydrophobicContact CD2-CG2 4.01Å; L256-V258 HydrophobicContact CG-CG2 3.92Å; V258-A265 CarbonylContact O-C 3.59Å; V258-A265 VanDerWaalsContact O-CA 3.31Å; V258-A265 WeakPolarHBondContact O-CA 3.41Å; V258-N266 PolarHBondContact N-O 2.88Å; V258-N266 PolarHBondContact O-N 2.89Å; V258-W268 HydrophobicContact CB-CZ3 4.01Å; V258-W268 HydrophobicContact CG2-CE3 4.24Å; V258-W268 HydrophobicContact CG2-CZ3 3.83Å
259	H	97.4	Very high	97	Very high	7 Å²	7	20.4 Å²	20.4	3%	0.032	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	164.5	170.9	71.8	82.8	0	0	0	111	P114 S115 F217 I224 Y228 Y264 A265	P114-H259 CarbonylContact C-O 3.58Å; P114-H259 VanDerWaalsContact CA-O 3.3Å; P114-H259 WeakPolarHBondContact CA-O 3.35Å; S115-H259 WeakPolarHBondContact CB-CE1 3.32Å; S115-H259 VanDerWaalsContact CB-NE2 3.33Å; S115-H259 WeakPolarHBondContact CB-NE2 3.36Å; S115-H259 PolarHBondContact N-O 3.39Å; S115-H259 PolarHBondContact O-N 3.15Å; S115-H259 PolarHBondContact OG-CE1 2.95Å; F217-H259 AromaticContact CE1-CD2 3.66Å; F217-H259 AromaticContact CE2-NE2 3.95Å; F217-H259 AromaticContact CZ-CD2 3.52Å; F217-H259 AromaticContact CZ-NE2 3.86Å; F217-H259 PolarHBondContact O-CE1 2.88Å; F217-H259 PolarHBondContact O-NE2 3.08Å; I224-H259 HydrophobicContact CD1-CB 4.48Å; I224-H259 HydrophobicContact CG2-CB 3.82Å; Y228-H259 HydrophobicContact CE2-CB 4.32Å; Y228-H259 AromaticContact CE2-CD2 3.86Å; Y228-H259 AromaticContact CZ-CD2 3.97Å; Y228-H259 WeakPolarHBondContact OH-CB 3.49Å; Y228-H259 PolarHBondContact OH-CD2 2.74Å; Y228-H259 VanDerWaalsContact OH-CD2 3.24Å; Y228-H259 PolarHBondContact OH-N 2.89Å; H259-Y264 CarbonylContact C-O 3.55Å; H259-Y264 WeakPolarHBondContact CA-O 3.29Å; H259-Y264 WeakPolarHBondContact CB-O 3.26Å; H259-A265 HydrophobicContact CB-CB 3.79Å
260	D	95.6	Very high	97	Very high	7 Å²	7	21.4 Å²	21.4	4%	0.037	11%	0.114	C	C	.	.			trans	-134.8	179.1	169.6	68.6	27.8	0	0	0	113.4	F111 K112 S262 G263 Y264	F111-D260 HydrophobicContact CB-CB 4.48Å; F111-D260 HydrophobicContact CD1-CB 4.06Å; K112-D260 PolarHBondContact N-OD2 2.84Å; K112-D260 VanDerWaalsContact N-OD2 3.11Å; K112-D260 VanDerWaalsContact O-CB 3.25Å; K112-D260 WeakPolarHBondContact O-CB 3.45Å; D260-S262 PolarHBondContact O-N 2.64Å; D260-S262 VanDerWaalsContact O-N 3.16Å; D260-S262 VanDerWaalsContact OD1-CB 3.25Å; D260-S262 WeakPolarHBondContact OD1-CB 3.44Å; D260-S262 PolarHBondContact OD1-N 2.93Å; D260-S262 PolarHBondContact OD1-OG 2.71Å; D260-G263 PolarHBondContact O-N 3Å; D260-Y264 PolarHBondContact N-O 3.45Å
261	E	92.2	Very high	96.9	Very high	132 Å²	132	23.6 Å²	23.6	62%	0.617	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-22.7	-176.3	-66.9	179.7	178.2	0	0	113.4	R221 G263	R221-E261 PolarHBondContact NH1-O 2.57Å; R221-E261 PolarHBondContact NH2-O 3.42Å; E261-G263 PolarHBondContact O-N 2.68Å
262	S	93.8	Very high	96.8	Very high	93 Å²	93	23.6 Å²	23.6	65%	0.65	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-15.5	176.3	77.6	0	0	0	0	113	D260 Y264	D260-S262 PolarHBondContact O-N 2.64Å; D260-S262 VanDerWaalsContact O-N 3.16Å; D260-S262 VanDerWaalsContact OD1-CB 3.25Å; D260-S262 WeakPolarHBondContact OD1-CB 3.44Å; D260-S262 PolarHBondContact OD1-N 2.93Å; D260-S262 PolarHBondContact OD1-OG 2.71Å; S262-Y264 WeakPolarHBondContact OG-CB 3.41Å; S262-Y264 PolarHBondContact OG-N 2.82Å
263	G	94.7	Very high	96.7	Very high	5 Å²	5	25 Å²	25	5%	0.052	14%	0.136	C	C	.	.	S	Bend	trans	92.2	-3.9	-173.2	0	0	0	0	0	113.2	N227 D260 E261 A265	N227-G263 PolarHBondContact ND2-O 2.86Å; D260-G263 PolarHBondContact O-N 3Å; E261-G263 PolarHBondContact O-N 2.68Å; G263-A265 PolarHBondContact O-N 3.33Å
264	Y	95.6	Very high	96.6	Very high	107 Å²	107	29.6 Å²	29.6	42%	0.42	16%	0.156	S	C	.	.			trans	-64.9	128.1	170.5	-177.1	-119.8	0	0	0	109.9	F111 H259 D260 S262 N266	F111-Y264 AromaticContact CD1-CD1 3.94Å; F111-Y264 HydrophobicContact CD1-CD1 3.94Å; F111-Y264 HydrophobicContact CD1-CE1 4.42Å; F111-Y264 AromaticContact CE1-CD1 3.35Å; F111-Y264 HydrophobicContact CE1-CD1 3.35Å; F111-Y264 AromaticContact CE1-CE1 3.65Å; F111-Y264 HydrophobicContact CE1-CE1 3.65Å; F111-Y264 HydrophobicContact CE1-CG 4.37Å; F111-Y264 HydrophobicContact CE2-CD1 4.44Å; F111-Y264 AromaticContact CE2-CE1 3.98Å; F111-Y264 HydrophobicContact CE2-CE1 3.98Å; F111-Y264 AromaticContact CZ-CD1 3.66Å; F111-Y264 HydrophobicContact CZ-CD1 3.66Å; F111-Y264 AromaticContact CZ-CE1 3.4Å; F111-Y264 HydrophobicContact CZ-CE1 3.4Å; H259-Y264 CarbonylContact C-O 3.55Å; H259-Y264 WeakPolarHBondContact CA-O 3.29Å; H259-Y264 WeakPolarHBondContact CB-O 3.26Å; D260-Y264 PolarHBondContact N-O 3.45Å; S262-Y264 WeakPolarHBondContact OG-CB 3.41Å; S262-Y264 PolarHBondContact OG-N 2.82Å; Y264-N266 PolarHBondContact OH-ND2 3.17Å
265	A	97.8	Very high	96.5	Very high	10 Å²	10	30.6 Å²	30.6	8%	0.083	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	139.3	-178.8	0	0	0	0	0	109.7	I224 N227 Y228 V258 H259 G263	I224-A265 HydrophobicContact CG2-CB 4.09Å; N227-A265 HydrophobicContact CB-CB 3.84Å; Y228-A265 HydrophobicContact CD1-CB 3.93Å; Y228-A265 HydrophobicContact CD2-CB 4.36Å; Y228-A265 HydrophobicContact CE1-CB 3.75Å; Y228-A265 HydrophobicContact CE2-CB 4.2Å; Y228-A265 HydrophobicContact CG-CB 4.25Å; V258-A265 CarbonylContact O-C 3.59Å; V258-A265 VanDerWaalsContact O-CA 3.31Å; V258-A265 WeakPolarHBondContact O-CA 3.41Å; H259-A265 HydrophobicContact CB-CB 3.79Å; G263-A265 PolarHBondContact O-N 3.33Å
266	N	98	Very high	96.4	Very high	21 Å²	21	31.6 Å²	31.6	11%	0.112	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	161.5	-177	-158.9	-15	0	0	0	111.2	F111 Y228 R231 V258 Y264 W268	F111-N266 HydrophobicContact CZ-CB 4.22Å; Y228-N266 WeakPolarHBondContact CE1-O 3.46Å; R231-N266 WeakPolarHBondContact CD-OD1 3.36Å; R231-N266 PolarHBondContact NE-OD1 3.39Å; R231-N266 PolarHBondContact NH2-OD1 3.15Å; V258-N266 PolarHBondContact N-O 2.88Å; V258-N266 PolarHBondContact O-N 2.89Å; Y264-N266 PolarHBondContact OH-ND2 3.17Å; N266-W268 HydrophobicContact CB-CE3 4.47Å; N266-W268 HydrophobicContact CB-CH2 3.4Å; N266-W268 HydrophobicContact CB-CZ2 3.97Å; N266-W268 HydrophobicContact CB-CZ3 3.68Å; N266-W268 VanDerWaalsContact ND2-CZ2 3.33Å; N266-W268 WeakPolarHBondContact ND2-CZ2 3.49Å
267	I	98.5	Very high	96.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	137.8	-173.7	-52.5	171	0	0	0	108.5	Y228 R231 L232 L255 L256 F257	Y228-I267 HydrophobicContact CD1-CD1 3.82Å; Y228-I267 HydrophobicContact CD1-CG1 3.61Å; Y228-I267 HydrophobicContact CE1-CG1 3.97Å; R231-I267 HydrophobicContact CB-CD1 4.17Å; R231-I267 HydrophobicContact CB-CG1 4.41Å; R231-I267 HydrophobicContact CG-CB 3.87Å; R231-I267 HydrophobicContact CG-CD1 4.13Å; R231-I267 HydrophobicContact CG-CG1 3.99Å; R231-I267 PolarHBondContact NE-O 3.1Å; R231-I267 PolarHBondContact NH2-O 2.77Å; L232-I267 HydrophobicContact CD1-CD1 4.34Å; L232-I267 HydrophobicContact CD2-CD1 3.73Å; L232-I267 HydrophobicContact CG-CD1 3.53Å; L255-I267 HydrophobicContact CB-CG2 3.88Å; L255-I267 HydrophobicContact CD1-CG2 4.13Å; L255-I267 HydrophobicContact CD2-CG2 3.87Å; L255-I267 HydrophobicContact CG-CG2 4.16Å; L256-I267 WeakPolarHBondContact O-CA 3.12Å; F257-I267 HydrophobicContact CD1-CD1 3.73Å; F257-I267 HydrophobicContact CD1-CG1 3.72Å; F257-I267 HydrophobicContact CE1-CD1 3.4Å; F257-I267 VanDerWaalsContact CE1-CD1 3.4Å; F257-I267 HydrophobicContact CE1-CG1 3.91Å; F257-I267 HydrophobicContact CG-CG1 4.39Å; F257-I267 HydrophobicContact CZ-CD1 4.21Å
268	W	98.6	Very high	96	Very high	18 Å²	18	34.9 Å²	34.9	7%	0.068	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	146.5	172.4	-63.7	-93.5	0	0	0	111.2	F86 L107 F111 L255 L256 V258 N266	F86-W268 CarbonylContact O-C 3.48Å; F86-W268 WeakPolarHBondContact O-CA 3.44Å; L107-W268 HydrophobicContact CB-CD2 4.43Å; L107-W268 HydrophobicContact CB-CE3 4.33Å; L107-W268 HydrophobicContact CD1-CB 3.59Å; L107-W268 HydrophobicContact CD1-CD2 3.84Å; L107-W268 HydrophobicContact CD1-CE3 4.06Å; L107-W268 HydrophobicContact CD1-CG 3.65Å; L107-W268 HydrophobicContact CD2-CB 4.47Å; L107-W268 HydrophobicContact CD2-CD2 3.82Å; L107-W268 HydrophobicContact CD2-CG 3.75Å; L107-W268 HydrophobicContact CD2-CZ2 4.42Å; L107-W268 HydrophobicContact CG-CD2 4.25Å; L107-W268 HydrophobicContact CG-CG 4.29Å; F111-W268 AromaticContact CE2-CH2 3.61Å; F111-W268 HydrophobicContact CE2-CH2 3.61Å; F111-W268 HydrophobicContact CE2-CZ3 4.03Å; F111-W268 AromaticContact CZ-CH2 3.75Å; F111-W268 HydrophobicContact CZ-CH2 3.75Å; F111-W268 HydrophobicContact CZ-CZ3 4.06Å; L255-W268 CarbonylContact C-O 3.45Å; L255-W268 WeakPolarHBondContact CA-O 3.28Å; L256-W268 PolarHBondContact N-O 3.44Å; L256-W268 PolarHBondContact O-N 3.4Å; V258-W268 HydrophobicContact CB-CZ3 4.01Å; V258-W268 HydrophobicContact CG2-CE3 4.24Å; V258-W268 HydrophobicContact CG2-CZ3 3.83Å; N266-W268 HydrophobicContact CB-CE3 4.47Å; N266-W268 HydrophobicContact CB-CH2 3.4Å; N266-W268 HydrophobicContact CB-CZ2 3.97Å; N266-W268 HydrophobicContact CB-CZ3 3.68Å; N266-W268 VanDerWaalsContact ND2-CZ2 3.33Å; N266-W268 WeakPolarHBondContact ND2-CZ2 3.49Å
269	L	98.4	Very high	95.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	138.6	162.1	-54.8	82.9	0	0	0	109	F86 V87 P88 L235 L239 F250 S254 L255 F272 Y300	F86-L269 HydrophobicContact CB-CD1 3.56Å; F86-L269 WeakPolarHBondContact O-CD1 3.32Å; F86-L269 PolarHBondContact O-N 2.73Å; V87-L269 HydrophobicContact CG1-CB 4.23Å; V87-L269 HydrophobicContact CG1-CD1 4.29Å; P88-L269 VanDerWaalsContact CD-O 3.3Å; P88-L269 WeakPolarHBondContact CD-O 3.25Å; L235-L269 HydrophobicContact CD1-CD1 3.59Å; L239-L269 HydrophobicContact CD2-CD2 4.28Å; F250-L269 HydrophobicContact CE1-CD2 3.95Å; S254-L269 CarbonylContact O-C 3.49Å; S254-L269 WeakPolarHBondContact O-CA 3.46Å; L255-L269 HydrophobicContact CD2-CD1 4.5Å; L255-L269 HydrophobicContact CD2-CG 3.91Å; L269-F272 HydrophobicContact CB-CE1 3.8Å; L269-F272 HydrophobicContact CB-CZ 3.79Å; L269-F272 VanDerWaalsContact O-CZ 3.27Å; L269-F272 WeakPolarHBondContact O-CZ 3.46Å; L269-Y300 HydrophobicContact CD2-CE1 4.42Å; L269-Y300 WeakPolarHBondContact CD2-OH 3.19Å
270	I	97.3	Very high	95.4	Very high	23 Å²	23	42.8 Å²	42.8	12%	0.118	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	171.3	176.6	61.7	163.3	0	0	0	110.6	P88 L107 S253 S254 L256	P88-I270 HydrophobicContact CG-CG2 4.24Å; L107-I270 HydrophobicContact CD1-CG2 3.92Å; S253-I270 WeakPolarHBondContact CA-O 3.36Å; S253-I270 VanDerWaalsContact CB-O 3.28Å; S253-I270 WeakPolarHBondContact CB-O 3.48Å; S254-I270 PolarHBondContact N-O 3.38Å; S254-I270 PolarHBondContact O-N 3.23Å; L256-I270 HydrophobicContact CB-CD1 3.95Å; L256-I270 HydrophobicContact CB-CG1 4.24Å; L256-I270 HydrophobicContact CB-CG2 4.15Å; L256-I270 HydrophobicContact CD1-CD1 4.11Å; L256-I270 HydrophobicContact CG-CD1 4.45Å
271	D	95.3	Very high	95.1	Very high	46 Å²	46	48.7 Å²	48.7	25%	0.246	27%	0.274	C	S	.	.			trans	61	74.4	175.1	-72.6	-9	0	0	0	114.5	K65 S253	K65-D271 IonicContact NZ-OD1 3.96Å; K65-D271 PolarHBondContact NZ-OD1 3.22Å; S253-D271 VanDerWaalsContact CA-O 3.26Å; S253-D271 WeakPolarHBondContact CA-O 3.41Å; S253-D271 WeakPolarHBondContact CB-O 3.2Å
272	F	95.8	Very high	95.2	Very high	1 Å²	1	50.3 Å²	50.3	0%	0.004	28%	0.282	C	S	.	.			trans	-95	9.4	-174.4	-52.4	-76.1	0	0	0	114.6	E71 C74 L75 L78 V87 L269 K274 I275	E71-F272 HydrophobicContact CG-CB 4.27Å; E71-F272 PolarHBondContact OE1-N 2.92Å; C74-F272 HydrophobicContact CB-CB 3.85Å; C74-F272 VanDerWaalsContact SG-CB 3.55Å; L75-F272 HydrophobicContact CD2-CD2 3.63Å; L75-F272 HydrophobicContact CD2-CE2 3.47Å; L75-F272 VanDerWaalsContact CD2-CE2 3.47Å; L75-F272 HydrophobicContact CG-CD2 3.83Å; L75-F272 HydrophobicContact CG-CE2 4.21Å; L78-F272 HydrophobicContact CD1-CD1 3.8Å; L78-F272 HydrophobicContact CD1-CD2 4.33Å; L78-F272 HydrophobicContact CD1-CE1 3.65Å; L78-F272 HydrophobicContact CD1-CE2 4.21Å; L78-F272 HydrophobicContact CD1-CG 4.13Å; L78-F272 HydrophobicContact CD1-CZ 3.86Å; V87-F272 HydrophobicContact CB-CE2 4.44Å; V87-F272 HydrophobicContact CB-CZ 4.03Å; V87-F272 HydrophobicContact CG1-CE1 4.33Å; V87-F272 HydrophobicContact CG1-CZ 3.69Å; L269-F272 HydrophobicContact CB-CE1 3.8Å; L269-F272 HydrophobicContact CB-CZ 3.79Å; L269-F272 VanDerWaalsContact O-CZ 3.27Å; L269-F272 WeakPolarHBondContact O-CZ 3.46Å; F272-K274 PolarHBondContact O-N 2.77Å; F272-K274 VanDerWaalsContact O-N 3.15Å; F272-I275 HydrophobicContact CB-CG1 3.88Å; F272-I275 HydrophobicContact CD1-CG1 4.07Å; F272-I275 WeakPolarHBondContact O-CG1 3.43Å; F272-I275 PolarHBondContact O-N 3.17Å
273	A	94.2	Very high	95.2	Very high	42 Å²	42	48 Å²	48	35%	0.347	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-24.2	-172.3	0	0	0	0	0	114.3	S70 E71	S70-A273 WeakPolarHBondContact CB-O 3.31Å; S70-A273 PolarHBondContact OG-O 3.33Å; E71-A273 HydrophobicContact CB-CB 4.3Å
274	K	94.7	Very high	95.4	Very high	97 Å²	97	54.2 Å²	54.2	42%	0.422	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	11.2	-177.8	-77.8	-168.2	167.9	-142.1	0	113.7	E130 I251 F272 G276	E130-K274 IonicContact OE1-NZ 2.55Å; E130-K274 PolarHBondContact OE1-NZ 2.95Å; E130-K274 IonicContact OE2-NZ 3.45Å; I251-K274 HydrophobicContact CG2-CB 4.4Å; I251-K274 HydrophobicContact CG2-CD 4.31Å; I251-K274 CarbonylContact O-C 3.31Å; I251-K274 WeakPolarHBondContact O-CB 3.44Å; F272-K274 PolarHBondContact O-N 2.77Å; F272-K274 VanDerWaalsContact O-N 3.15Å; K274-G276 PolarHBondContact O-N 2.92Å
275	I	96.6	Very high	95.5	Very high	20 Å²	20	49.3 Å²	49.3	10%	0.103	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	117.2	173.8	-54.5	-61.1	0	0	0	108.1	F244 H248 E249 F250 F272	F244-I275 HydrophobicContact CE1-CG2 4.45Å; F244-I275 HydrophobicContact CZ-CG2 4.4Å; H248-I275 HydrophobicContact CB-CG2 3.76Å; E249-I275 WeakPolarHBondContact O-CA 3.35Å; F250-I275 HydrophobicContact CB-CD1 4.03Å; F250-I275 HydrophobicContact CD1-CD1 3.58Å; F250-I275 HydrophobicContact CD2-CD1 4.23Å; F250-I275 HydrophobicContact CD2-CG2 4.24Å; F250-I275 HydrophobicContact CE1-CD1 4.04Å; F250-I275 HydrophobicContact CE2-CG2 4.13Å; F250-I275 HydrophobicContact CG-CD1 3.68Å; F272-I275 HydrophobicContact CB-CG1 3.88Å; F272-I275 HydrophobicContact CD1-CG1 4.07Å; F272-I275 WeakPolarHBondContact O-CG1 3.43Å; F272-I275 PolarHBondContact O-N 3.17Å
276	G	94.9	Very high	95.4	Very high	21 Å²	21	52.5 Å²	52.5	22%	0.216	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	171.5	-178.2	0	0	0	0	0	112.2	H248 E249 K274	H248-G276 CarbonylContact C-O 3.22Å; H248-G276 VanDerWaalsContact CA-O 3.24Å; H248-G276 WeakPolarHBondContact CA-O 3.48Å; H248-G276 WeakPolarHBondContact CB-O 3.48Å; H248-G276 PolarHBondContact CD2-O 3.11Å; E249-G276 PolarHBondContact N-O 3.4Å; E249-G276 PolarHBondContact O-N 3.29Å; K274-G276 PolarHBondContact O-N 2.92Å
277	T	94.8	Very high	95.5	Very high	79 Å²	79	51.6 Å²	51.6	49%	0.485	28%	0.275	S	S	.	.			trans	-120.6	137.9	169.5	-53.9	0	0	0	0	107.8	H248	H248-T277 PolarHBondContact CD2-OG1 3.48Å
278	P	94.4	Very high	95.5	Very high	4 Å²	4	55.8 Å²	55.8	3%	0.026	29%	0.291	C	S	.	.			trans	-51.2	149.4	170.9	-28.4	36.8	0	0	0	112.6	K247 N280 I283 V285 Y296	K247-P278 WeakPolarHBondContact O-CD 3.41Å; P278-N280 PolarHBondContact O-N 3.06Å; P278-I283 HydrophobicContact CB-CB 3.82Å; P278-I283 HydrophobicContact CB-CD1 4.15Å; P278-I283 HydrophobicContact CB-CG2 4.08Å; P278-I283 HydrophobicContact CG-CB 4.18Å; P278-I283 HydrophobicContact CG-CG2 4.06Å; P278-V285 HydrophobicContact CG-CG2 4.25Å; P278-Y296 HydrophobicContact CB-CD1 4.25Å; P278-Y296 HydrophobicContact CB-CD2 3.63Å; P278-Y296 HydrophobicContact CB-CE1 4.32Å; P278-Y296 HydrophobicContact CB-CE2 3.68Å; P278-Y296 HydrophobicContact CB-CG 3.92Å; P278-Y296 HydrophobicContact CG-CD1 4.31Å; P278-Y296 HydrophobicContact CG-CD2 3.99Å; P278-Y296 HydrophobicContact CG-CG 3.87Å
279	S	90.9	Very high	95.4	Very high	100 Å²	100	57.3 Å²	57.3	70%	0.699	31%	0.305	S	S	*	.	S	Bend	trans	-63.1	-27.9	178.2	55.9	0	0	0	0	113.2	Y296	S279-Y296 VanDerWaalsContact CB-OH 3.3Å; S279-Y296 WeakPolarHBondContact CB-OH 3.25Å; S279-Y296 PolarHBondContact N-OH 3.23Å; S279-Y296 PolarHBondContact OG-OH 2.81Å
280	N	91.5	Very high	95.3	Very high	72 Å²	72	62.5 Å²	62.5	39%	0.385	34%	0.336	S	S	.	.	S	Bend	trans	-110.4	117.8	172.6	178.3	-1.6	0	0	0	110	P278 Q282 I283	P278-N280 PolarHBondContact O-N 3.06Å; N280-Q282 PolarHBondContact O-N 3.13Å; N280-Q282 WeakPolarHBondContact OD1-CB 3Å; N280-Q282 WeakPolarHBondContact OD1-CG 3.26Å; N280-Q282 PolarHBondContact OD1-N 3.4Å; N280-I283 HydrophobicContact CB-CD1 3.91Å; N280-I283 HydrophobicContact CB-CG1 4.07Å; N280-I283 WeakPolarHBondContact O-CB 3.49Å; N280-I283 PolarHBondContact O-N 3.23Å
281	N	89.6	Confident	95.3	Very high	132 Å²	132	63.3 Å²	63.3	71%	0.706	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-8.1	-179.7	-67.1	-1.4	0	0	0	114.7
282	Q	93.3	Very high	95.2	Very high	166 Å²	166	67.9 Å²	67.9	78%	0.776	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-18.3	172.5	-63.1	179	-20.1	0	0	112.9	N280 R284	N280-Q282 PolarHBondContact O-N 3.13Å; N280-Q282 WeakPolarHBondContact OD1-CB 3Å; N280-Q282 WeakPolarHBondContact OD1-CG 3.26Å; N280-Q282 PolarHBondContact OD1-N 3.4Å; Q282-R284 PolarHBondContact O-N 3.16Å
283	I	95.1	Very high	95	Very high	43 Å²	43	72.9 Å²	72.9	22%	0.221	38%	0.381	C	S	.	.			trans	-70.7	125.9	178.7	-63.3	171.7	0	0	0	108.4	P278 N280 Y296	P278-I283 HydrophobicContact CB-CB 3.82Å; P278-I283 HydrophobicContact CB-CD1 4.15Å; P278-I283 HydrophobicContact CB-CG2 4.08Å; P278-I283 HydrophobicContact CG-CB 4.18Å; P278-I283 HydrophobicContact CG-CG2 4.06Å; N280-I283 HydrophobicContact CB-CD1 3.91Å; N280-I283 HydrophobicContact CB-CG1 4.07Å; N280-I283 WeakPolarHBondContact O-CB 3.49Å; N280-I283 PolarHBondContact O-N 3.23Å; I283-Y296 HydrophobicContact CD1-CD2 4.01Å; I283-Y296 HydrophobicContact CD1-CE2 3.73Å; I283-Y296 HydrophobicContact CG2-CD2 4.15Å
284	R	97.3	Very high	95	Very high	136 Å²	136	72.6 Å²	72.6	51%	0.513	38%	0.383	S	S	.	.			trans	-111.3	131	168.6	-60.9	-171	76.9	108.6	4.4	109.3	D243 A246 Q282	D243-R284 IonicContact OD1-CZ 2.98Å; D243-R284 VanDerWaalsContact OD1-CZ 3.3Å; D243-R284 IonicContact OD1-NH1 3.3Å; D243-R284 PolarHBondContact OD1-NH1 3.38Å; D243-R284 IonicContact OD1-NH2 3.87Å; D243-R284 PolarHBondContact OD1-NH2 2.95Å; A246-R284 CarbonylContact O-C 3.46Å; A246-R284 WeakPolarHBondContact O-CA 3.16Å; Q282-R284 PolarHBondContact O-N 3.16Å
285	V	97.7	Very high	95.1	Very high	4 Å²	4	70 Å²	70	2%	0.024	37%	0.373	C	S	.	.			trans	-91.9	128.8	178.7	-171	0	0	0	0	108.1	A246 P278 H287 E297	A246-V285 PolarHBondContact O-N 3.27Å; P278-V285 HydrophobicContact CG-CG2 4.25Å; V285-H287 PolarHBondContact O-CD2 2.75Å; V285-H287 PolarHBondContact O-NE2 3.49Å; V285-E297 HydrophobicContact CG1-CG 4.46Å
286	N	97.6	Very high	95.1	Very high	77 Å²	77	69.7 Å²	69.7	41%	0.412	37%	0.371	S	S	.	.			trans	-94.6	-7.7	177.6	66.4	55.7	0	0	0	113.1	R288 S289 E297	N286-R288 PolarHBondContact O-N 3.36Å; N286-R288 VanDerWaalsContact O-N 3.17Å; N286-R288 PolarHBondContact OD1-N 2.78Å; N286-S289 PolarHBondContact ND2-OG 3.02Å; N286-S289 WeakPolarHBondContact OD1-CB 3.39Å; N286-S289 PolarHBondContact OD1-N 3.35Å; N286-S289 PolarHBondContact OD1-OG 3.42Å; N286-S289 VanDerWaalsContact OD1-OG 3.07Å; N286-E297 PolarHBondContact N-OE1 3.15Å; N286-E297 PolarHBondContact ND2-OE1 2.83Å; N286-E297 VanDerWaalsContact ND2-OE1 3.14Å; N286-E297 PolarHBondContact OD1-OE1 3.1Å; N286-E297 VanDerWaalsContact OD1-OE1 3.13Å; N286-E297 PolarHBondContact OD1-OE2 3.11Å
287	H	98.6	Very high	95.2	Very high	3 Å²	3	69 Å²	69	1%	0.014	36%	0.362	C	S	.	.	S	Bend	trans	62.7	17.7	174.6	-53.2	-86.8	0	0	0	114.5	F245 H248 V285 E297 D298 G299 Y300 L301	F245-H287 AromaticContact CD1-CD2 3.35Å; F245-H287 WeakPolarHBondContact CD1-CD2 3.48Å; F245-H287 AromaticContact CD1-NE2 3.43Å; F245-H287 WeakPolarHBondContact CD1-NE2 3.4Å; F245-H287 AromaticContact CD2-NE2 3.94Å; F245-H287 HydrophobicContact CE1-CB 3.8Å; F245-H287 AromaticContact CE1-CD2 3Å; F245-H287 WeakPolarHBondContact CE1-CD2 3.48Å; F245-H287 AromaticContact CE1-CE1 3.95Å; F245-H287 AromaticContact CE1-CG 3.31Å; F245-H287 AromaticContact CE1-ND1 3.9Å; F245-H287 AromaticContact CE1-NE2 3.46Å; F245-H287 WeakPolarHBondContact CE1-NE2 3.41Å; F245-H287 AromaticContact CE2-CE1 3.73Å; F245-H287 AromaticContact CE2-ND1 3.85Å; F245-H287 AromaticContact CE2-NE2 3.93Å; F245-H287 AromaticContact CG-NE2 3.69Å; F245-H287 HydrophobicContact CZ-CB 3.8Å; F245-H287 AromaticContact CZ-CD2 3.47Å; F245-H287 VanDerWaalsContact CZ-CD2 3.47Å; F245-H287 WeakPolarHBondContact CZ-CD2 3.36Å; F245-H287 AromaticContact CZ-CE1 3.7Å; F245-H287 AromaticContact CZ-CG 3.31Å; F245-H287 AromaticContact CZ-ND1 3.49Å; F245-H287 WeakPolarHBondContact CZ-ND1 3.49Å; F245-H287 AromaticContact CZ-NE2 3.71Å; F245-H287 PolarHBondContact O-CE1 3.04Å; F245-H287 PolarHBondContact O-NE2 2.86Å; H248-H287 PolarHBondContact O-CE1 3.26Å; V285-H287 PolarHBondContact O-CD2 2.75Å; V285-H287 PolarHBondContact O-NE2 3.49Å; H287-E297 WeakPolarHBondContact CA-OE2 3.3Å; H287-E297 PolarHBondContact N-OE2 3.13Å; H287-D298 IonicContact CE1-OD1 3.82Å; H287-D298 IonicContact CE1-OD2 3.3Å; H287-D298 PolarHBondContact CE1-OD2 3.19Å; H287-D298 VanDerWaalsContact CE1-OD2 3.28Å; H287-D298 IonicContact CG-OD1 3.25Å; H287-D298 IonicContact ND1-OD1 2.85Å; H287-D298 PolarHBondContact ND1-OD1 3.02Å; H287-D298 IonicContact ND1-OD2 2.75Å; H287-D298 PolarHBondContact ND1-OD2 3.32Å; H287-G299 CarbonylContact O-C 3.44Å; H287-G299 VanDerWaalsContact O-C 3.31Å; H287-G299 WeakPolarHBondContact O-CA 3.32Å; H287-Y300 PolarHBondContact O-N 3.21Å; H287-L301 HydrophobicContact CB-CB 4.08Å; H287-L301 HydrophobicContact CB-CD1 4.09Å; H287-L301 HydrophobicContact CB-CG 3.85Å; H287-L301 WeakPolarHBondContact O-CB 3.34Å; H287-L301 PolarHBondContact O-N 2.6Å
288	R	98.4	Very high	95.4	Very high	87 Å²	87	65.3 Å²	65.3	33%	0.328	34%	0.339	S	S	.	.	S	Bend	trans	-133.9	-20.1	178.8	-68	-167.8	170.6	102.4	-4.4	113.8	E240 N286 E297 L301 I302 D305	E240-R288 IonicContact OE1-CZ 3.03Å; E240-R288 VanDerWaalsContact OE1-CZ 3.25Å; E240-R288 IonicContact OE1-NH1 3.37Å; E240-R288 PolarHBondContact OE1-NH1 3.02Å; E240-R288 IonicContact OE1-NH2 2.83Å; E240-R288 PolarHBondContact OE1-NH2 3.21Å; N286-R288 PolarHBondContact O-N 3.36Å; N286-R288 VanDerWaalsContact O-N 3.17Å; N286-R288 PolarHBondContact OD1-N 2.78Å; R288-E297 PolarHBondContact N-OE2 3.45Å; R288-L301 HydrophobicContact CG-CB 3.63Å; R288-L301 HydrophobicContact CG-CD1 4.43Å; R288-I302 HydrophobicContact CB-CG1 4.47Å; R288-I302 HydrophobicContact CG-CG1 4.49Å; R288-I302 WeakPolarHBondContact O-CD1 3.3Å; R288-D305 IonicContact CZ-OD2 2.89Å; R288-D305 IonicContact NE-OD2 3.6Å; R288-D305 PolarHBondContact NE-OD2 3.22Å; R288-D305 IonicContact NH2-OD1 3.97Å; R288-D305 PolarHBondContact NH2-OD1 2.75Å; R288-D305 IonicContact NH2-OD2 2.66Å; R288-D305 PolarHBondContact NH2-OD2 3.11Å
289	S	98	Very high	95.6	Very high	51 Å²	51	65.1 Å²	65.1	36%	0.357	34%	0.338	S	S	.	.	S	Bend	trans	-75	151.6	179.5	-68.3	0	0	0	0	110.2	N286 W291 E297	N286-S289 PolarHBondContact ND2-OG 3.02Å; N286-S289 WeakPolarHBondContact OD1-CB 3.39Å; N286-S289 PolarHBondContact OD1-N 3.35Å; N286-S289 PolarHBondContact OD1-OG 3.42Å; N286-S289 VanDerWaalsContact OD1-OG 3.07Å; S289-W291 PolarHBondContact O-N 2.6Å; S289-E297 PolarHBondContact N-OE2 2.8Å; S289-E297 VanDerWaalsContact O-CB 3.27Å; S289-E297 WeakPolarHBondContact O-CB 3.4Å
290	V	96.5	Very high	95.9	Very high	108 Å²	108	60.4 Å²	60.4	66%	0.655	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-61.4	129.4	177	178.2	0	0	0	0	109.2	K292 N295	V290-K292 PolarHBondContact O-N 3.28Å; V290-N295 PolarHBondContact O-ND2 2.95Å
291	W	96.8	Very high	96.3	Very high	40 Å²	40	57.1 Å²	57.1	15%	0.152	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-60.9	132.3	176.7	178	70.3	0	0	0	112.1	R124 F126 V131 L168 S289 I293 E297	R124-W291 VanDerWaalsContact NE-CD1 3.32Å; F126-W291 AromaticContact CE2-CH2 3.91Å; F126-W291 HydrophobicContact CE2-CH2 3.91Å; F126-W291 HydrophobicContact CE2-CZ2 4.08Å; F126-W291 HydrophobicContact CE2-CZ3 4.32Å; F126-W291 HydrophobicContact CZ-CH2 4.31Å; F126-W291 HydrophobicContact CZ-CZ3 4.27Å; V131-W291 HydrophobicContact CG2-CH2 4.45Å; V131-W291 HydrophobicContact CG2-CZ2 4.31Å; L168-W291 HydrophobicContact CD1-CH2 3.54Å; L168-W291 HydrophobicContact CD1-CZ3 3.86Å; L168-W291 HydrophobicContact CD2-CH2 4.16Å; S289-W291 PolarHBondContact O-N 2.6Å; W291-I293 HydrophobicContact CH2-CG1 3.85Å; W291-I293 HydrophobicContact CZ2-CG1 3.91Å; W291-E297 HydrophobicContact CB-CB 4.32Å; W291-E297 WeakPolarHBondContact CB-O 3.49Å
292	K	93.7	Very high	96.7	Very high	143 Å²	143	52.5 Å²	52.5	62%	0.622	26%	0.263	S	S	*	.			trans	-141.4	144.8	171.2	-62	180	-176.4	177.7	0	107	V290 G294 N295	V290-K292 PolarHBondContact O-N 3.28Å; K292-G294 PolarHBondContact O-N 3.22Å; K292-G294 VanDerWaalsContact O-N 3.15Å; K292-N295 PolarHBondContact N-ND2 3.38Å; K292-N295 PolarHBondContact N-OD1 2.75Å; K292-N295 PolarHBondContact O-N 3.47Å; K292-N295 PolarHBondContact O-OD1 2.95Å
293	I	91.7	Very high	97	Very high	105 Å²	105	44.6 Å²	44.6	54%	0.538	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51	126.4	175.6	-63.2	172.3	0	0	0	109.3	L168 W291	L168-I293 HydrophobicContact CD2-CD1 4.25Å; W291-I293 HydrophobicContact CH2-CG1 3.85Å; W291-I293 HydrophobicContact CZ2-CG1 3.91Å
294	G	93.7	Very high	97.1	Very high	37 Å²	37	42.6 Å²	42.6	38%	0.381	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.2	-13.6	-180	0	0	0	0	0	114.8	E128 K292 Y296	E128-G294 VanDerWaalsContact OE1-CA 3.26Å; E128-G294 WeakPolarHBondContact OE1-CA 3.35Å; E128-G294 PolarHBondContact OE1-N 2.9Å; E128-G294 PolarHBondContact OE2-N 3.17Å; K292-G294 PolarHBondContact O-N 3.22Å; K292-G294 VanDerWaalsContact O-N 3.15Å; G294-Y296 WeakPolarHBondContact O-CD2 3.49Å
295	N	95.7	Very high	97.2	Very high	43 Å²	43	37.6 Å²	37.6	23%	0.23	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-12	178	82.8	-0.6	0	0	0	114.4	V290 K292 E297	V290-N295 PolarHBondContact O-ND2 2.95Å; K292-N295 PolarHBondContact N-ND2 3.38Å; K292-N295 PolarHBondContact N-OD1 2.75Å; K292-N295 PolarHBondContact O-N 3.47Å; K292-N295 PolarHBondContact O-OD1 2.95Å; N295-E297 HydrophobicContact CB-CG 4.4Å; N295-E297 PolarHBondContact O-N 2.88Å; N295-E297 WeakPolarHBondContact OD1-CB 3.46Å; N295-E297 PolarHBondContact OD1-N 3.32Å; N295-E297 VanDerWaalsContact OD1-N 3.1Å
296	Y	96.8	Very high	97.3	Very high	13 Å²	13	38.3 Å²	38.3	5%	0.051	20%	0.202	C	C	.	.			trans	57.9	9.4	176.6	-61.2	-91	0	0	0	116.2	R124 E128 P278 S279 I283 G294 D298	R124-Y296 VanDerWaalsContact NH2-C 3.33Å; R124-Y296 PolarHBondContact NH2-O 3.05Å; E128-Y296 HydrophobicContact CB-CD1 3.96Å; E128-Y296 HydrophobicContact CB-CE1 3.87Å; E128-Y296 HydrophobicContact CG-CE1 4.22Å; E128-Y296 VanDerWaalsContact OE1-CZ 3.31Å; P278-Y296 HydrophobicContact CB-CD1 4.25Å; P278-Y296 HydrophobicContact CB-CD2 3.63Å; P278-Y296 HydrophobicContact CB-CE1 4.32Å; P278-Y296 HydrophobicContact CB-CE2 3.68Å; P278-Y296 HydrophobicContact CB-CG 3.92Å; P278-Y296 HydrophobicContact CG-CD1 4.31Å; P278-Y296 HydrophobicContact CG-CD2 3.99Å; P278-Y296 HydrophobicContact CG-CG 3.87Å; S279-Y296 VanDerWaalsContact CB-OH 3.3Å; S279-Y296 WeakPolarHBondContact CB-OH 3.25Å; S279-Y296 PolarHBondContact N-OH 3.23Å; S279-Y296 PolarHBondContact OG-OH 2.81Å; I283-Y296 HydrophobicContact CD1-CD2 4.01Å; I283-Y296 HydrophobicContact CD1-CE2 3.73Å; I283-Y296 HydrophobicContact CG2-CD2 4.15Å; G294-Y296 WeakPolarHBondContact O-CD2 3.49Å; Y296-D298 PolarHBondContact O-N 2.87Å
297	E	98	Very high	97.3	Very high	6 Å²	6	34.6 Å²	34.6	3%	0.028	18%	0.183	C	C	.	.			trans	-60.5	134.8	179.6	-70.1	-70.4	163.1	0	0	111.5	R124 V285 N286 H287 R288 S289 W291 N295	R124-E297 VanDerWaalsContact CZ-O 3.28Å; R124-E297 PolarHBondContact NE-O 3.08Å; R124-E297 PolarHBondContact NH2-O 2.77Å; V285-E297 HydrophobicContact CG1-CG 4.46Å; N286-E297 PolarHBondContact N-OE1 3.15Å; N286-E297 PolarHBondContact ND2-OE1 2.83Å; N286-E297 VanDerWaalsContact ND2-OE1 3.14Å; N286-E297 PolarHBondContact OD1-OE1 3.1Å; N286-E297 VanDerWaalsContact OD1-OE1 3.13Å; N286-E297 PolarHBondContact OD1-OE2 3.11Å; H287-E297 WeakPolarHBondContact CA-OE2 3.3Å; H287-E297 PolarHBondContact N-OE2 3.13Å; R288-E297 PolarHBondContact N-OE2 3.45Å; S289-E297 PolarHBondContact N-OE2 2.8Å; S289-E297 VanDerWaalsContact O-CB 3.27Å; S289-E297 WeakPolarHBondContact O-CB 3.4Å; W291-E297 HydrophobicContact CB-CB 4.32Å; W291-E297 WeakPolarHBondContact CB-O 3.49Å; N295-E297 HydrophobicContact CB-CG 4.4Å; N295-E297 PolarHBondContact O-N 2.88Å; N295-E297 WeakPolarHBondContact OD1-CB 3.46Å; N295-E297 PolarHBondContact OD1-N 3.32Å; N295-E297 VanDerWaalsContact OD1-N 3.1Å
298	D	98.1	Very high	97.3	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	18%	0.183	C	C	.	.			trans	-114.8	-9.3	-176.5	49.1	33.5	0	0	0	112.7	G122 Q123 F250 I251 H287 Y296 Y300	G122-D298 CarbonylContact C-O 3.5Å; G122-D298 VanDerWaalsContact CA-O 3.26Å; G122-D298 WeakPolarHBondContact CA-O 3.22Å; Q123-D298 PolarHBondContact N-O 3.15Å; F250-D298 WeakPolarHBondContact CA-OD2 3.28Å; F250-D298 WeakPolarHBondContact CB-OD2 3.36Å; F250-D298 PolarHBondContact N-OD2 2.93Å; I251-D298 HydrophobicContact CD1-CB 4.03Å; H287-D298 IonicContact CE1-OD1 3.82Å; H287-D298 IonicContact CE1-OD2 3.3Å; H287-D298 PolarHBondContact CE1-OD2 3.19Å; H287-D298 VanDerWaalsContact CE1-OD2 3.28Å; H287-D298 IonicContact CG-OD1 3.25Å; H287-D298 IonicContact ND1-OD1 2.85Å; H287-D298 PolarHBondContact ND1-OD1 3.02Å; H287-D298 IonicContact ND1-OD2 2.75Å; H287-D298 PolarHBondContact ND1-OD2 3.32Å; Y296-D298 PolarHBondContact O-N 2.87Å; D298-Y300 PolarHBondContact O-N 3.12Å; D298-Y300 WeakPolarHBondContact OD1-CB 3.39Å; D298-Y300 PolarHBondContact OD1-N 3.25Å
299	G	98.3	Very high	97.4	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.01	19%	0.191	C	C	.	.			trans	65.8	22.6	-175.4	0	0	0	0	0	113.4	H287 L301 I302 G303	H287-G299 CarbonylContact O-C 3.44Å; H287-G299 VanDerWaalsContact O-C 3.31Å; H287-G299 WeakPolarHBondContact O-CA 3.32Å; G299-L301 PolarHBondContact O-N 3.34Å; G299-I302 WeakPolarHBondContact O-CB 3.43Å; G299-I302 PolarHBondContact O-N 3.03Å; G299-G303 PolarHBondContact O-N 3.43Å; G299-G303 VanDerWaalsContact O-N 3.16Å
300	Y	98.7	Very high	97.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.1	-43.6	-175.8	-164.4	-78.8	0	0	0	112.1	I121 L239 F245 F250 S253 L269 H287 D298 I302 G303 I304	I121-Y300 HydrophobicContact CB-CD2 3.85Å; I121-Y300 HydrophobicContact CB-CE1 4.35Å; I121-Y300 HydrophobicContact CB-CE2 3.46Å; I121-Y300 VanDerWaalsContact CB-CE2 3.46Å; I121-Y300 HydrophobicContact CB-CG 4.43Å; I121-Y300 HydrophobicContact CG1-CE2 4.24Å; I121-Y300 HydrophobicContact CG2-CD1 3.8Å; I121-Y300 HydrophobicContact CG2-CD2 3.58Å; I121-Y300 HydrophobicContact CG2-CE1 3.83Å; I121-Y300 HydrophobicContact CG2-CE2 3.61Å; I121-Y300 HydrophobicContact CG2-CG 3.68Å; I121-Y300 WeakPolarHBondContact CG2-O 3.46Å; L239-Y300 HydrophobicContact CD1-CD1 4.31Å; L239-Y300 HydrophobicContact CD1-CE1 4.06Å; F245-Y300 AromaticContact CE2-CD1 3.86Å; F245-Y300 HydrophobicContact CE2-CD1 3.86Å; F245-Y300 HydrophobicContact CE2-CE1 4.36Å; F245-Y300 HydrophobicContact CE2-CG 4.05Å; F245-Y300 AromaticContact CZ-CD1 3.69Å; F245-Y300 HydrophobicContact CZ-CD1 3.69Å; F245-Y300 AromaticContact CZ-CG 3.99Å; F245-Y300 HydrophobicContact CZ-CG 3.99Å; F250-Y300 HydrophobicContact CB-CD2 3.61Å; F250-Y300 HydrophobicContact CB-CE2 4.11Å; F250-Y300 HydrophobicContact CB-CG 4.21Å; F250-Y300 HydrophobicContact CD1-CD2 4.28Å; F250-Y300 HydrophobicContact CD1-CE2 4.01Å; F250-Y300 HydrophobicContact CG-CD2 4.36Å; S253-Y300 VanDerWaalsContact OG-CE2 3.24Å; S253-Y300 WeakPolarHBondContact OG-CE2 3.49Å; L269-Y300 HydrophobicContact CD2-CE1 4.42Å; L269-Y300 WeakPolarHBondContact CD2-OH 3.19Å; H287-Y300 PolarHBondContact O-N 3.21Å; D298-Y300 PolarHBondContact O-N 3.12Å; D298-Y300 WeakPolarHBondContact OD1-CB 3.39Å; D298-Y300 PolarHBondContact OD1-N 3.25Å; Y300-I302 VanDerWaalsContact C-N 3.32Å; Y300-I302 PolarHBondContact O-N 3.15Å; Y300-G303 WeakPolarHBondContact O-CA 3.17Å; Y300-G303 PolarHBondContact O-N 2.92Å; Y300-G303 VanDerWaalsContact O-N 3.15Å; Y300-I304 HydrophobicContact CD1-CD1 4.42Å; Y300-I304 HydrophobicContact CD1-CG1 4.06Å; Y300-I304 HydrophobicContact CE1-CD1 3.98Å; Y300-I304 HydrophobicContact CE1-CG1 4.09Å; Y300-I304 WeakPolarHBondContact O-CG1 3.42Å; Y300-I304 PolarHBondContact O-N 3.38Å; Y300-I304 VanDerWaalsContact O-N 3.11Å
301	L	98.8	Very high	97.5	Very high	4 Å²	4	28.2 Å²	28.2	2%	0.021	14%	0.142	C	C	.	.	H	α-helix	trans	-71.6	-25.8	177.5	-74.6	177.4	0	0	0	112.6	R236 L239 E240 F245 H287 R288 G299 G303 I304 D305	R236-L301 HydrophobicContact CG-CD2 4.39Å; L239-L301 HydrophobicContact CB-CD2 3.91Å; L239-L301 HydrophobicContact CD1-CD2 3.9Å; E240-L301 HydrophobicContact CG-CD1 3.97Å; F245-L301 HydrophobicContact CE1-CD1 3.96Å; F245-L301 HydrophobicContact CE1-CD2 4.18Å; F245-L301 HydrophobicContact CE1-CG 3.8Å; F245-L301 HydrophobicContact CZ-CG 4.17Å; H287-L301 HydrophobicContact CB-CB 4.08Å; H287-L301 HydrophobicContact CB-CD1 4.09Å; H287-L301 HydrophobicContact CB-CG 3.85Å; H287-L301 WeakPolarHBondContact O-CB 3.34Å; H287-L301 PolarHBondContact O-N 2.6Å; R288-L301 HydrophobicContact CG-CB 3.63Å; R288-L301 HydrophobicContact CG-CD1 4.43Å; G299-L301 PolarHBondContact O-N 3.34Å; L301-G303 VanDerWaalsContact C-N 3.29Å; L301-G303 PolarHBondContact O-N 3.08Å; L301-I304 HydrophobicContact CD2-CB 4.43Å; L301-I304 HydrophobicContact CD2-CG1 4.32Å; L301-I304 PolarHBondContact O-N 3Å; L301-D305 WeakPolarHBondContact O-CB 3.45Å; L301-D305 PolarHBondContact O-N 3.45Å
302	I	98.7	Very high	97.5	Very high	35 Å²	35	30.9 Å²	30.9	18%	0.179	16%	0.157	C	C	.	.	H	α-helix	trans	-60.5	-43.7	168.1	-68.9	166.1	0	0	0	110.1	Q123 R288 G299 Y300 I304 D305 N306	Q123-I302 HydrophobicContact CG-CG2 4.4Å; R288-I302 HydrophobicContact CB-CG1 4.47Å; R288-I302 HydrophobicContact CG-CG1 4.49Å; R288-I302 WeakPolarHBondContact O-CD1 3.3Å; G299-I302 WeakPolarHBondContact O-CB 3.43Å; G299-I302 PolarHBondContact O-N 3.03Å; Y300-I302 VanDerWaalsContact C-N 3.32Å; Y300-I302 PolarHBondContact O-N 3.15Å; I302-I304 PolarHBondContact O-N 3.47Å; I302-D305 PolarHBondContact O-N 3.13Å; I302-N306 PolarHBondContact O-N 3.23Å; I302-N306 PolarHBondContact O-ND2 3.21Å
303	G	98.7	Very high	97.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-57.2	-47.7	173.4	0	0	0	0	0	113	Y183 G184 G299 Y300 L301 N306 L307	Y183-G303 WeakPolarHBondContact O-CA 3.18Å; G184-G303 WeakPolarHBondContact O-CA 3.27Å; G299-G303 PolarHBondContact O-N 3.43Å; G299-G303 VanDerWaalsContact O-N 3.16Å; Y300-G303 WeakPolarHBondContact O-CA 3.17Å; Y300-G303 PolarHBondContact O-N 2.92Å; Y300-G303 VanDerWaalsContact O-N 3.15Å; L301-G303 VanDerWaalsContact C-N 3.29Å; L301-G303 PolarHBondContact O-N 3.08Å; G303-N306 PolarHBondContact O-N 3.31Å; G303-L307 WeakPolarHBondContact O-CG 3.17Å; G303-L307 PolarHBondContact O-N 3.41Å
304	I	98.8	Very high	98	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-62.3	-44.9	176.6	-57.6	-56.8	0	0	0	111.5	I121 L235 R236 L239 L255 Y300 L301 I302 N306 L307 V308	I121-I304 HydrophobicContact CG2-CD1 4.48Å; L235-I304 HydrophobicContact CD2-CD1 4.12Å; R236-I304 HydrophobicContact CB-CG2 3.82Å; R236-I304 HydrophobicContact CG-CG2 4.22Å; L239-I304 HydrophobicContact CD1-CD1 4.44Å; L239-I304 HydrophobicContact CD1-CG1 4Å; L255-I304 HydrophobicContact CD1-CD1 3.56Å; L255-I304 HydrophobicContact CG-CD1 4.46Å; Y300-I304 HydrophobicContact CD1-CD1 4.42Å; Y300-I304 HydrophobicContact CD1-CG1 4.06Å; Y300-I304 HydrophobicContact CE1-CD1 3.98Å; Y300-I304 HydrophobicContact CE1-CG1 4.09Å; Y300-I304 WeakPolarHBondContact O-CG1 3.42Å; Y300-I304 PolarHBondContact O-N 3.38Å; Y300-I304 VanDerWaalsContact O-N 3.11Å; L301-I304 HydrophobicContact CD2-CB 4.43Å; L301-I304 HydrophobicContact CD2-CG1 4.32Å; L301-I304 PolarHBondContact O-N 3Å; I302-I304 PolarHBondContact O-N 3.47Å; I304-N306 VanDerWaalsContact C-N 3.32Å; I304-N306 PolarHBondContact O-N 2.76Å; I304-L307 PolarHBondContact O-N 3.34Å; I304-V308 WeakPolarHBondContact O-CG2 3.49Å; I304-V308 PolarHBondContact O-N 3.07Å
305	D	98.8	Very high	98.2	Very high	31 Å²	31	21.5 Å²	21.5	17%	0.166	10%	0.103	C	C	.	.	H	α-helix	trans	-62.9	-39	-179.6	-73.1	-31.9	0	0	0	111.6	R236 R288 L301 I302 V308 K309	R236-D305 WeakPolarHBondContact CD-OD1 3.46Å; R236-D305 IonicContact CZ-OD1 3.84Å; R236-D305 IonicContact NE-OD1 2.72Å; R236-D305 IonicContact NH1-OD1 3.08Å; R236-D305 PolarHBondContact NH1-OD1 3.35Å; R288-D305 IonicContact CZ-OD2 2.89Å; R288-D305 IonicContact NE-OD2 3.6Å; R288-D305 PolarHBondContact NE-OD2 3.22Å; R288-D305 IonicContact NH2-OD1 3.97Å; R288-D305 PolarHBondContact NH2-OD1 2.75Å; R288-D305 IonicContact NH2-OD2 2.66Å; R288-D305 PolarHBondContact NH2-OD2 3.11Å; L301-D305 WeakPolarHBondContact O-CB 3.45Å; L301-D305 PolarHBondContact O-N 3.45Å; I302-D305 PolarHBondContact O-N 3.13Å; D305-V308 PolarHBondContact O-N 2.95Å; D305-K309 WeakPolarHBondContact O-CG 3.34Å; D305-K309 PolarHBondContact O-N 3.05Å; D305-K309 VanDerWaalsContact O-N 3.08Å
306	N	98.8	Very high	98.2	Very high	19 Å²	19	27 Å²	27	10%	0.102	13%	0.127	C	C	.	.	H	α-helix	trans	-73	-34.8	175.6	-71.3	-32.9	0	0	0	112.7	Y183 F185 W207 I302 G303 I304 V308 K309 L310	Y183-N306 WeakPolarHBondContact CA-ND2 3.33Å; Y183-N306 PolarHBondContact O-ND2 3.04Å; F185-N306 HydrophobicContact CD1-CB 4.4Å; F185-N306 HydrophobicContact CE1-CB 3.87Å; W207-N306 HydrophobicContact CH2-CB 4.46Å; W207-N306 WeakPolarHBondContact CH2-O 3.3Å; W207-N306 HydrophobicContact CZ3-CB 4.24Å; I302-N306 PolarHBondContact O-N 3.23Å; I302-N306 PolarHBondContact O-ND2 3.21Å; G303-N306 PolarHBondContact O-N 3.31Å; I304-N306 VanDerWaalsContact C-N 3.32Å; I304-N306 PolarHBondContact O-N 2.76Å; N306-V308 VanDerWaalsContact C-N 3.34Å; N306-K309 PolarHBondContact O-N 2.92Å; N306-L310 VanDerWaalsContact O-CB 3.3Å; N306-L310 WeakPolarHBondContact O-CB 3.37Å; N306-L310 PolarHBondContact O-N 3.39Å
307	L	98.8	Very high	98	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-62.8	-40.1	170.6	-75.4	166.1	0	0	0	111.9	I121 F185 F214 L232 L255 F257 G303 I304 L310 F311	I121-L307 HydrophobicContact CD1-CD1 3.76Å; F185-L307 HydrophobicContact CD1-CD2 4.29Å; F185-L307 HydrophobicContact CD1-CG 3.92Å; F185-L307 HydrophobicContact CD2-CD2 3.94Å; F185-L307 HydrophobicContact CD2-CG 4.36Å; F185-L307 HydrophobicContact CE1-CD2 4.08Å; F185-L307 HydrophobicContact CE1-CG 3.96Å; F185-L307 HydrophobicContact CE2-CD2 3.72Å; F185-L307 HydrophobicContact CE2-CG 4.39Å; F185-L307 HydrophobicContact CG-CD1 4.43Å; F185-L307 HydrophobicContact CG-CD2 4.23Å; F185-L307 HydrophobicContact CG-CG 4.13Å; F185-L307 HydrophobicContact CZ-CD2 3.79Å; F185-L307 HydrophobicContact CZ-CG 4.2Å; F214-L307 HydrophobicContact CE1-CD2 3.96Å; F214-L307 HydrophobicContact CE2-CD2 4.46Å; F214-L307 HydrophobicContact CZ-CD2 3.58Å; L232-L307 HydrophobicContact CD1-CB 3.96Å; L232-L307 HydrophobicContact CD2-CB 4.35Å; L255-L307 HydrophobicContact CD1-CD1 3.84Å; F257-L307 HydrophobicContact CZ-CD1 4.14Å; F257-L307 HydrophobicContact CZ-CD2 4.17Å; G303-L307 WeakPolarHBondContact O-CG 3.17Å; G303-L307 PolarHBondContact O-N 3.41Å; I304-L307 PolarHBondContact O-N 3.34Å; L307-L310 PolarHBondContact O-N 2.68Å; L307-F311 VanDerWaalsContact O-CD2 3.32Å; L307-F311 WeakPolarHBondContact O-CD2 3.41Å; L307-F311 PolarHBondContact O-N 3.32Å
308	V	98.8	Very high	97.1	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.018	15%	0.147	C	C	.	.	H	α-helix	trans	-58.8	-52.9	173.9	166.9	0	0	0	0	110.4	L229 L232 L233 I304 D305 N306 L310 F311 E312	L229-V308 HydrophobicContact CD1-CB 4.43Å; L229-V308 HydrophobicContact CD1-CG1 3.88Å; L232-V308 HydrophobicContact CB-CG2 3.9Å; L233-V308 HydrophobicContact CD2-CG1 3.89Å; L233-V308 HydrophobicContact CD2-CG2 4.2Å; I304-V308 WeakPolarHBondContact O-CG2 3.49Å; I304-V308 PolarHBondContact O-N 3.07Å; D305-V308 PolarHBondContact O-N 2.95Å; N306-V308 VanDerWaalsContact C-N 3.34Å; V308-L310 VanDerWaalsContact C-N 3.28Å; V308-L310 PolarHBondContact O-N 3.45Å; V308-F311 PolarHBondContact O-N 2.82Å; V308-E312 WeakPolarHBondContact O-CG 3.49Å; V308-E312 PolarHBondContact O-N 3.39Å
309	K	98.6	Very high	95.2	Very high	112 Å²	112	42.4 Å²	42.4	49%	0.487	20%	0.201	S	C	.	.	H	α-helix	trans	-56.7	-41.6	177.1	-69.8	172.7	-171.5	169.4	0	112.4	W207 D305 N306 E312 Q313	W207-K309 HydrophobicContact CH2-CB 4.25Å; W207-K309 HydrophobicContact CZ2-CB 4.48Å; D305-K309 WeakPolarHBondContact O-CG 3.34Å; D305-K309 PolarHBondContact O-N 3.05Å; D305-K309 VanDerWaalsContact O-N 3.08Å; N306-K309 PolarHBondContact O-N 2.92Å; K309-E312 PolarHBondContact O-N 3.16Å; K309-Q313 PolarHBondContact O-N 3.43Å
310	L	98.5	Very high	95.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.9	-47.2	178.8	-179.5	152.6	0	0	0	111.3	F185 W207 I210 I211 F214 N306 L307 V308 Q313 I314	F185-L310 HydrophobicContact CZ-CD1 4.16Å; W207-L310 HydrophobicContact CH2-CB 3.88Å; W207-L310 HydrophobicContact CZ2-CB 3.95Å; I210-L310 HydrophobicContact CG2-CD1 3.61Å; I211-L310 HydrophobicContact CB-CD1 4.5Å; I211-L310 HydrophobicContact CG1-CG 4.21Å; F214-L310 HydrophobicContact CB-CD2 3.72Å; F214-L310 HydrophobicContact CD1-CD2 3.73Å; F214-L310 HydrophobicContact CD2-CD1 3.87Å; F214-L310 HydrophobicContact CD2-CD2 4.08Å; F214-L310 HydrophobicContact CE1-CD2 4.34Å; F214-L310 HydrophobicContact CE2-CD1 4.15Å; F214-L310 HydrophobicContact CG-CD1 4.23Å; F214-L310 HydrophobicContact CG-CD2 3.58Å; N306-L310 VanDerWaalsContact O-CB 3.3Å; N306-L310 WeakPolarHBondContact O-CB 3.37Å; N306-L310 PolarHBondContact O-N 3.39Å; L307-L310 PolarHBondContact O-N 2.68Å; V308-L310 VanDerWaalsContact C-N 3.28Å; V308-L310 PolarHBondContact O-N 3.45Å; L310-Q313 PolarHBondContact O-N 3.33Å; L310-I314 HydrophobicContact CD2-CD1 3.52Å; L310-I314 HydrophobicContact CD2-CG1 4.31Å; L310-I314 HydrophobicContact CG-CD1 4.47Å; L310-I314 WeakPolarHBondContact O-CG1 3.32Å; L310-I314 PolarHBondContact O-N 2.78Å
311	F	98.5	Very high	94.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-70.6	-35.1	178.9	-83.1	-74.3	0	0	0	112.7	F214 V218 A225 Y228 L229 L232 F257 L307 V308 Q313 I314 I315	F214-F311 HydrophobicContact CD1-CE1 4.3Å; F214-F311 AromaticContact CD1-CE2 3.89Å; F214-F311 HydrophobicContact CD1-CE2 3.89Å; F214-F311 AromaticContact CD1-CZ 3.58Å; F214-F311 HydrophobicContact CD1-CZ 3.58Å; F214-F311 AromaticContact CE1-CE2 3.82Å; F214-F311 HydrophobicContact CE1-CE2 3.82Å; F214-F311 AromaticContact CE1-CZ 3.86Å; F214-F311 HydrophobicContact CE1-CZ 3.86Å; V218-F311 HydrophobicContact CG1-CE1 4.23Å; A225-F311 HydrophobicContact CB-CD1 4.01Å; A225-F311 HydrophobicContact CB-CE1 4.47Å; Y228-F311 AromaticContact CD2-CE1 3.65Å; Y228-F311 HydrophobicContact CD2-CE1 3.65Å; Y228-F311 AromaticContact CD2-CZ 3.74Å; Y228-F311 HydrophobicContact CD2-CZ 3.74Å; Y228-F311 HydrophobicContact CG-CE1 4.07Å; Y228-F311 AromaticContact CG-CZ 3.94Å; Y228-F311 HydrophobicContact CG-CZ 3.94Å; L229-F311 HydrophobicContact CB-CB 4.14Å; L229-F311 HydrophobicContact CD1-CB 4.38Å; L232-F311 HydrophobicContact CD1-CD2 3.43Å; L232-F311 VanDerWaalsContact CD1-CD2 3.43Å; L232-F311 HydrophobicContact CD1-CE2 3.81Å; L232-F311 HydrophobicContact CD1-CG 4.43Å; F257-F311 HydrophobicContact CD1-CE2 4.38Å; F257-F311 HydrophobicContact CD1-CZ 4.27Å; F257-F311 AromaticContact CE1-CE2 3.68Å; F257-F311 HydrophobicContact CE1-CE2 3.68Å; F257-F311 HydrophobicContact CE1-CZ 4.02Å; F257-F311 HydrophobicContact CZ-CE2 4.39Å; L307-F311 VanDerWaalsContact O-CD2 3.32Å; L307-F311 WeakPolarHBondContact O-CD2 3.41Å; L307-F311 PolarHBondContact O-N 3.32Å; V308-F311 PolarHBondContact O-N 2.82Å; F311-Q313 VanDerWaalsContact C-N 3.31Å; F311-Q313 PolarHBondContact O-N 3.2Å; F311-I314 PolarHBondContact O-N 2.97Å; F311-I315 WeakPolarHBondContact O-CB 3.46Å; F311-I315 VanDerWaalsContact O-CD1 3.31Å; F311-I315 WeakPolarHBondContact O-CD1 3.42Å; F311-I315 WeakPolarHBondContact O-CG1 3.31Å; F311-I315 PolarHBondContact O-N 3.48Å
312	E	98.3	Very high	94.7	Very high	96 Å²	96	49.2 Å²	49.2	45%	0.449	23%	0.233	S	C	.	.	H	α-helix	trans	-57.2	-45.9	170.8	-72.5	171.7	163.2	0	0	111.1	L229 V308 K309 I315 H316	L229-E312 HydrophobicContact CD1-CG 3.94Å; L229-E312 HydrophobicContact CD2-CG 3.8Å; V308-E312 WeakPolarHBondContact O-CG 3.49Å; V308-E312 PolarHBondContact O-N 3.39Å; K309-E312 PolarHBondContact O-N 3.16Å; E312-I315 PolarHBondContact O-N 3.37Å; E312-H316 PolarHBondContact O-N 3Å; E312-H316 VanDerWaalsContact O-N 3.07Å
313	Q	97.9	Very high	94.4	Very high	63 Å²	63	50.1 Å²	50.1	29%	0.294	24%	0.236	S	C	.	.	H	α-helix	trans	-63.6	-45.6	176.7	-175.2	177.4	-15.6	0	0	112.2	I211 K309 L310 F311 I315 H316 E317	I211-Q313 HydrophobicContact CD1-CB 3.92Å; I211-Q313 HydrophobicContact CD1-CG 3.55Å; K309-Q313 PolarHBondContact O-N 3.43Å; L310-Q313 PolarHBondContact O-N 3.33Å; F311-Q313 VanDerWaalsContact C-N 3.31Å; F311-Q313 PolarHBondContact O-N 3.2Å; Q313-I315 VanDerWaalsContact C-N 3.3Å; Q313-I315 PolarHBondContact O-N 2.92Å; Q313-H316 PolarHBondContact O-N 3.2Å; Q313-E317 HydrophobicContact CG-CG 4.46Å; Q313-E317 WeakPolarHBondContact CG-OE1 3.46Å; Q313-E317 PolarHBondContact NE2-OE1 3.38Å; Q313-E317 WeakPolarHBondContact O-CG 3.5Å; Q313-E317 PolarHBondContact O-N 2.83Å
314	I	97.7	Very high	94.2	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-57.8	-43.6	176.5	-70.1	177.4	0	0	0	111.2	I211 F214 K215 V218 A225 L310 F311 H316 E317 C318	I211-I314 HydrophobicContact CD1-CG1 3.93Å; I211-I314 HydrophobicContact CG1-CD1 4.01Å; I211-I314 HydrophobicContact CG1-CG1 3.6Å; F214-I314 HydrophobicContact CB-CD1 3.55Å; K215-I314 HydrophobicContact CG-CD1 4.06Å; K215-I314 HydrophobicContact CG-CG1 3.88Å; K215-I314 HydrophobicContact CG-CG2 4.3Å; V218-I314 HydrophobicContact CG2-CG2 4.41Å; A225-I314 HydrophobicContact CB-CG2 3.98Å; L310-I314 HydrophobicContact CD2-CD1 3.52Å; L310-I314 HydrophobicContact CD2-CG1 4.31Å; L310-I314 HydrophobicContact CG-CD1 4.47Å; L310-I314 WeakPolarHBondContact O-CG1 3.32Å; L310-I314 PolarHBondContact O-N 2.78Å; F311-I314 PolarHBondContact O-N 2.97Å; I314-H316 VanDerWaalsContact C-N 3.31Å; I314-H316 PolarHBondContact O-N 2.87Å; I314-E317 PolarHBondContact O-N 3.13Å; I314-C318 WeakPolarHBondContact O-CB 3.48Å; I314-C318 PolarHBondContact O-N 3.23Å; I314-C318 PolarHBondContact O-SG 3.43Å; I314-C318 VanDerWaalsContact O-SG 3.38Å
315	I	97.4	Very high	93.9	Very high	25 Å²	25	56.7 Å²	56.7	13%	0.128	27%	0.268	C	S	.	.	H	α-helix	trans	-66	-36.3	-179	-68.7	161.8	0	0	0	111.4	K222 A225 Q226 L229 F311 E312 Q313	K222-I315 WeakPolarHBondContact CE-O 3.49Å; K222-I315 HydrophobicContact CG-CG2 4.3Å; K222-I315 PolarHBondContact NZ-O 2.91Å; A225-I315 HydrophobicContact CB-CD1 4.37Å; A225-I315 HydrophobicContact CB-CG1 3.72Å; Q226-I315 HydrophobicContact CB-CD1 4.39Å; Q226-I315 HydrophobicContact CG-CD1 3.83Å; Q226-I315 HydrophobicContact CG-CG1 4.06Å; Q226-I315 HydrophobicContact CG-CG2 4.19Å; L229-I315 HydrophobicContact CB-CD1 4Å; L229-I315 HydrophobicContact CD2-CD1 3.56Å; L229-I315 HydrophobicContact CG-CD1 4.43Å; F311-I315 WeakPolarHBondContact O-CB 3.46Å; F311-I315 VanDerWaalsContact O-CD1 3.31Å; F311-I315 WeakPolarHBondContact O-CD1 3.42Å; F311-I315 WeakPolarHBondContact O-CG1 3.31Å; F311-I315 PolarHBondContact O-N 3.48Å; E312-I315 PolarHBondContact O-N 3.37Å; Q313-I315 VanDerWaalsContact C-N 3.3Å; Q313-I315 PolarHBondContact O-N 2.92Å
316	H	95.7	Very high	93.5	Very high	158 Å²	158	58.6 Å²	58.6	73%	0.731	28%	0.275	S	S	*	.	H	α-helix	trans	-68.1	-37.8	176.2	-176.3	-86.9	0	0	0	112	E312 Q313 I314	E312-H316 PolarHBondContact O-N 3Å; E312-H316 VanDerWaalsContact O-N 3.07Å; Q313-H316 PolarHBondContact O-N 3.2Å; I314-H316 VanDerWaalsContact C-N 3.31Å; I314-H316 PolarHBondContact O-N 2.87Å
317	E	92.9	Very high	93.1	Very high	83 Å²	83	61.6 Å²	61.6	39%	0.388	29%	0.288	S	S	.	.	H	α-helix	trans	-82.3	-23.4	-178.8	-67.1	175.4	-170.1	0	0	113.9	K215 Q313 I314 Q319	K215-E317 WeakPolarHBondContact CE-OE2 3.46Å; K215-E317 IonicContact NZ-OE2 3.11Å; K215-E317 PolarHBondContact NZ-OE2 2.89Å; Q313-E317 HydrophobicContact CG-CG 4.46Å; Q313-E317 WeakPolarHBondContact CG-OE1 3.46Å; Q313-E317 PolarHBondContact NE2-OE1 3.38Å; Q313-E317 WeakPolarHBondContact O-CG 3.5Å; Q313-E317 PolarHBondContact O-N 2.83Å; I314-E317 PolarHBondContact O-N 3.13Å; E317-Q319 PolarHBondContact O-N 3.4Å
318	C	79.4	Confident	92.6	Very high	16 Å²	16	66.8 Å²	66.8	11%	0.108	31%	0.312	C	S	.	.			trans	-75.9	86.6	168.7	-73.1	0	0	0	0	109.8	H220 K222 I314	H220-C318 PolarHBondContact O-SG 3.31Å; K222-C318 HydrophobicContact CB-CB 4.1Å; K222-C318 WeakPolarHBondContact CD-O 3.45Å; K222-C318 HydrophobicContact CG-CB 4.3Å; K222-C318 PolarHBondContact NZ-O 2.78Å; I314-C318 WeakPolarHBondContact O-CB 3.48Å; I314-C318 PolarHBondContact O-N 3.23Å; I314-C318 PolarHBondContact O-SG 3.43Å; I314-C318 VanDerWaalsContact O-SG 3.38Å
319	Q	58.2	Low	92.1	Very high	245 Å²	245	72.5 Å²	72.5	100%	1.145	34%	0.339	S	S	*	.			trans	-71.3	0	168.3	-71	-172.4	-17.8	0	0	111.4	E317	E317-Q319 PolarHBondContact O-N 3.4Å

Retrieved 319 of 319 residues in 790.4 ms (Link to these results)

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