A0A087XCS9_POEFO Loading...

Tubulin tyrosine ligase like 3

AlphaFold DB , UniProt , Accession A0A087XCS9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 714 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.6	Very low	29	Very low	243 Å²	243	138.2 Å²	138.2	100%	1.197	81%	0.809	S	S	*	*				0	117.4	0	-96.1	167.7	139.8	0	0	107.8
2	K	26.4	Very low	28.9	Very low	204 Å²	204	139.7 Å²	139.7	89%	0.887	81%	0.81	S	S	*	*			trans	35.4	114.4	154.1	-70.5	-175.1	176.7	-176.8	0	118.4
3	A	28.8	Very low	28.8	Very low	84 Å²	84	137.2 Å²	137.2	69%	0.694	81%	0.805	S	S	*	*				98.6	142	91	0	0	0	0	0	108.5
4	T	29.6	Very low	28.8	Very low	120 Å²	120	139.4 Å²	139.4	74%	0.736	81%	0.811	S	S	*	*			cis	-171.8	144.9	29.8	6.1	0	0	0	0	108.4
5	D	31	Very low	28.7	Very low	150 Å²	150	143.1 Å²	143.1	80%	0.802	82%	0.817	S	S	*	*				25.9	131.2	128.9	-58.3	-33.4	0	0	0	120.3
6	S	28.5	Very low	28.7	Very low	114 Å²	114	146.4 Å²	146.4	80%	0.797	82%	0.82	S	S	*	*				167	136.9	80.5	-168.6	0	0	0	0	111.4
7	A	29.7	Very low	28.8	Very low	84 Å²	84	148.1 Å²	148.1	69%	0.694	83%	0.825	S	S	*	*			trans	-71.7	158.5	166.1	0	0	0	0	0	112.3
8	N	27.4	Very low	28.8	Very low	156 Å²	156	150.1 Å²	150.1	83%	0.834	83%	0.827	S	S	*	*			trans	-150.7	113.9	151.6	-93	-26.6	0	0	0	105.8
9	A	29.5	Very low	28.8	Very low	83 Å²	83	151.1 Å²	151.1	69%	0.686	83%	0.831	S	S	*	*				71.1	129.1	87	0	0	0	0	0	110.5
10	V	28.7	Very low	28.9	Very low	136 Å²	136	146.7 Å²	146.7	82%	0.824	82%	0.822	S	S	*	*				-168.2	150.2	52.3	163.2	0	0	0	0	109.6
11	I	27.9	Very low	28.9	Very low	146 Å²	146	149.8 Å²	149.8	75%	0.749	83%	0.827	S	S	*	*			trans	-83.3	155.2	174.5	-66.4	171.2	0	0	0	111.1
12	L	27.7	Very low	29	Very low	156 Å²	156	146.9 Å²	146.9	82%	0.817	81%	0.81	S	S	*	*			trans	128.7	130	155.4	-72.5	166.4	0	0	0	110.2
13	S	27.7	Very low	29.3	Very low	107 Å²	107	146 Å²	146	75%	0.748	81%	0.809	S	S	*	*			cis	-157	154.8	22.7	-72.8	0	0	0	0	111.3
14	L	28.5	Very low	29.4	Very low	169 Å²	169	149.6 Å²	149.6	89%	0.885	82%	0.817	S	S	*	*			trans	-72.1	140.4	162.6	-77.2	142.7	0	0	0	110.7
15	E	27.8	Very low	29.4	Very low	195 Å²	195	148.9 Å²	148.9	91%	0.911	82%	0.817	S	S	*	*				-167.2	149.3	126.2	-108.7	174.1	-177.5	0	0	113.6
16	K	29.3	Very low	29.5	Very low	196 Å²	196	147.4 Å²	147.4	85%	0.852	82%	0.815	S	S	*	*			trans	-63.1	152.4	-166.9	-68	159.6	170.5	178.1	0	115.4
17	L	29	Very low	29.6	Very low	174 Å²	174	149.8 Å²	149.8	91%	0.911	81%	0.814	S	S	*	*				-166.8	124.9	125.5	-101	154.4	0	0	0	110.7
18	E	29.9	Very low	29.8	Very low	184 Å²	184	153 Å²	153	86%	0.86	82%	0.818	S	S	*	*			trans	-66.8	137.1	166.9	-65.6	163.4	147.9	0	0	109.3
19	D	29.1	Very low	29.9	Very low	170 Å²	170	154 Å²	154	91%	0.909	81%	0.814	S	S	*	*				176.7	157	101.4	-137.2	-18.5	0	0	0	111.6
20	G	29.2	Very low	30.1	Very low	63 Å²	63	156.2 Å²	156.2	65%	0.649	82%	0.819	S	S	*	*			trans	-65.5	153.3	-153.7	0	0	0	0	0	120.2
21	K	29.8	Very low	30.3	Very low	212 Å²	212	152.8 Å²	152.8	92%	0.922	81%	0.811	S	S	*	*				-161.6	125.9	128.8	-106.7	170.1	-172.5	178.6	0	110.9
22	E	34.8	Very low	30.9	Very low	181 Å²	181	153.4 Å²	153.4	85%	0.846	82%	0.815	S	S	*	*			trans	-56.1	131.7	179.5	-64	171.5	136.7	0	0	112.7
23	H	32.1	Very low	32	Very low	185 Å²	185	151.1 Å²	151.1	86%	0.856	81%	0.81	S	S	*	*			trans	-140.2	105	147.6	-101.9	-41	0	0	0	109.7	S25	H23-S25 PolarHBondContact O-N 3.46Å
24	N	31.2	Very low	33.5	Very low	161 Å²	161	153.8 Å²	153.8	86%	0.861	82%	0.815	S	S	*	*			trans	-63.7	107.5	169.2	-84.4	-31.8	0	0	0	110.3
25	S	28.7	Very low	35.2	Very low	105 Å²	105	150 Å²	150	73%	0.734	80%	0.796	S	S	*	*			trans	-81.7	130.4	158.7	-16.8	0	0	0	0	108.2	H23 E27	H23-S25 PolarHBondContact O-N 3.46Å; S25-E27 PolarHBondContact O-N 3.43Å; S25-E27 VanDerWaalsContact O-N 3.12Å
26	P	33.5	Very low	37.6	Very low	119 Å²	119	144.9 Å²	144.9	77%	0.773	77%	0.774	S	S	*	*			trans	-74	110	178	29.3	-29.8	0	0	0	109.1	I28	P26-I28 PolarHBondContact O-N 3.17Å; P26-I28 VanDerWaalsContact O-N 3.1Å
27	E	29.9	Very low	40	Very low	163 Å²	163	140.7 Å²	140.7	76%	0.762	77%	0.767	S	S	*	*			trans	-58.7	110.1	158.9	-76.9	-175.3	158.4	0	0	108.3	S25 K29	S25-E27 PolarHBondContact O-N 3.43Å; S25-E27 VanDerWaalsContact O-N 3.12Å; E27-K29 PolarHBondContact O-N 3.33Å
28	I	33.2	Very low	42.6	Very low	153 Å²	153	134.6 Å²	134.6	79%	0.785	75%	0.747	S	S	*	*			trans	-69.8	85.6	165	-59.3	175.4	0	0	0	106.7	P26 V30	P26-I28 PolarHBondContact O-N 3.17Å; P26-I28 VanDerWaalsContact O-N 3.1Å; I28-V30 HydrophobicContact CG2-CG2 4.34Å; I28-V30 PolarHBondContact O-N 3.28Å
29	K	30.1	Very low	45.1	Very low	175 Å²	175	128.2 Å²	128.2	76%	0.761	72%	0.715	S	S	*	*			trans	-63.8	101.3	159.6	-78.6	-179.8	179.1	173	0	106.9	E27 G31	E27-K29 PolarHBondContact O-N 3.33Å; K29-G31 PolarHBondContact O-N 3.31Å
30	V	33.6	Very low	47.9	Very low	131 Å²	131	121.9 Å²	121.9	79%	0.794	68%	0.682	S	S	*	*			trans	-62.4	94.8	163.1	-179.9	0	0	0	0	106.3	I28 L32	I28-V30 HydrophobicContact CG2-CG2 4.34Å; I28-V30 PolarHBondContact O-N 3.28Å; V30-L32 PolarHBondContact O-N 3.31Å; V30-L32 VanDerWaalsContact O-N 3.15Å
31	G	32.6	Very low	50.9	Low	63 Å²	63	126.9 Å²	126.9	65%	0.649	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-59.4	116.4	175.7	0	0	0	0	0	109.6	K29	K29-G31 PolarHBondContact O-N 3.31Å
32	L	40.9	Very low	53.8	Low	160 Å²	160	121 Å²	121	84%	0.838	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-53.4	131.5	160.8	-81.3	148.4	0	0	0	107.5	V30 D34	V30-L32 PolarHBondContact O-N 3.31Å; V30-L32 VanDerWaalsContact O-N 3.15Å; L32-D34 PolarHBondContact O-N 3.35Å; L32-D34 VanDerWaalsContact O-N 3.12Å
33	P	51.5	Low	56.5	Low	108 Å²	108	112.4 Å²	112.4	70%	0.701	62%	0.624	S	S	*	*	P	Polyproline II helix	trans	-61.1	122.7	179.7	22.8	-30.4	0	0	0	108.9	I35	P33-I35 WeakPolarHBondContact O-CG1 3.38Å; P33-I35 PolarHBondContact O-N 3.42Å
34	D	58.8	Low	59.4	Low	162 Å²	162	108.7 Å²	108.7	87%	0.866	61%	0.605	S	S	*	*			trans	-50.1	106.2	177	-90.7	-35.6	0	0	0	110.1	L32 N36	L32-D34 PolarHBondContact O-N 3.35Å; L32-D34 VanDerWaalsContact O-N 3.12Å; D34-N36 PolarHBondContact O-N 2.96Å; D34-N36 VanDerWaalsContact O-N 3.08Å
35	I	64	Low	62.5	Low	91 Å²	91	104.4 Å²	104.4	47%	0.467	59%	0.588	S	S	.	*			trans	-77.9	100.7	177.2	-54.5	-179.2	0	0	0	106.7	P33 P37 V40	P33-I35 WeakPolarHBondContact O-CG1 3.38Å; P33-I35 PolarHBondContact O-N 3.42Å; I35-P37 WeakPolarHBondContact O-CD 3.47Å; I35-P37 VanDerWaalsContact O-N 3.12Å; I35-V40 HydrophobicContact CB-CG2 4.44Å; I35-V40 HydrophobicContact CG2-CG2 3.27Å
36	N	77.7	Confident	65.6	Low	87 Å²	87	102.8 Å²	102.8	47%	0.465	57%	0.57	S	S	.	*			trans	-48.3	117.2	177.3	-178.9	-35.6	0	0	0	111.1	D34 G38 R39 V40	D34-N36 PolarHBondContact O-N 2.96Å; D34-N36 VanDerWaalsContact O-N 3.08Å; N36-G38 VanDerWaalsContact C-N 3.26Å; N36-G38 PolarHBondContact O-N 2.88Å; N36-G38 PolarHBondContact OD1-N 3.13Å; N36-R39 HydrophobicContact CB-CB 4.05Å; N36-R39 WeakPolarHBondContact O-CA 3.45Å; N36-R39 VanDerWaalsContact O-CB 3.29Å; N36-R39 WeakPolarHBondContact O-CB 3.42Å; N36-R39 PolarHBondContact O-N 3.22Å; N36-R39 PolarHBondContact OD1-N 3.24Å; N36-V40 PolarHBondContact O-N 3.45Å; N36-V40 VanDerWaalsContact O-N 3.16Å
37	P	80.2	Confident	68.6	Low	107 Å²	107	97.5 Å²	97.5	70%	0.695	54%	0.536	S	S	*	.	H	α-helix	trans	-57.3	-35	-177	-27.3	34.6	0	0	0	114.1	I35 R39 V40 K41	I35-P37 WeakPolarHBondContact O-CD 3.47Å; I35-P37 VanDerWaalsContact O-N 3.12Å; P37-R39 VanDerWaalsContact C-N 3.32Å; P37-R39 PolarHBondContact O-N 3.38Å; P37-V40 PolarHBondContact O-N 3.25Å; P37-K41 PolarHBondContact O-N 2.88Å
38	G	83.1	Confident	71.8	Confident	47 Å²	47	95.7 Å²	95.7	49%	0.485	53%	0.528	S	S	.	.	H	α-helix	trans	-64	-37.9	175.3	0	0	0	0	0	112.3	N36 K41 L42	N36-G38 VanDerWaalsContact C-N 3.26Å; N36-G38 PolarHBondContact O-N 2.88Å; N36-G38 PolarHBondContact OD1-N 3.13Å; G38-K41 PolarHBondContact O-N 3.13Å; G38-L42 WeakPolarHBondContact O-CB 3.36Å; G38-L42 PolarHBondContact O-N 3.21Å
39	R	83.6	Confident	74.8	Confident	50 Å²	50	94.8 Å²	94.8	19%	0.189	52%	0.518	C	S	.	.	H	α-helix	trans	-66.4	-39.9	175.5	-169.4	-174.9	-65.1	158.9	2.2	111.6	N36 P37 L42 A43 E110 L114 L117	N36-R39 HydrophobicContact CB-CB 4.05Å; N36-R39 WeakPolarHBondContact O-CA 3.45Å; N36-R39 VanDerWaalsContact O-CB 3.29Å; N36-R39 WeakPolarHBondContact O-CB 3.42Å; N36-R39 PolarHBondContact O-N 3.22Å; N36-R39 PolarHBondContact OD1-N 3.24Å; P37-R39 VanDerWaalsContact C-N 3.32Å; P37-R39 PolarHBondContact O-N 3.38Å; R39-L42 PolarHBondContact O-N 3.17Å; R39-A43 VanDerWaalsContact O-CB 3.25Å; R39-A43 WeakPolarHBondContact O-CB 3.41Å; R39-A43 PolarHBondContact O-N 3.17Å; R39-E110 IonicContact CZ-OE1 3.71Å; R39-E110 IonicContact CZ-OE2 3.44Å; R39-E110 IonicContact NE-OE2 3.82Å; R39-E110 IonicContact NH2-OE1 2.77Å; R39-E110 PolarHBondContact NH2-OE1 3.07Å; R39-E110 IonicContact NH2-OE2 2.61Å; R39-E110 PolarHBondContact NH2-OE2 3.43Å; R39-L114 HydrophobicContact CG-CD1 3.86Å; R39-L117 HydrophobicContact CG-CD2 4.49Å
40	V	88.2	Confident	77.9	Confident	37 Å²	37	86.6 Å²	86.6	22%	0.224	48%	0.483	C	S	.	.	H	α-helix	trans	-63.3	-44.9	175.5	-177.4	0	0	0	0	110.8	I35 N36 P37 A43 K44 L117	I35-V40 HydrophobicContact CB-CG2 4.44Å; I35-V40 HydrophobicContact CG2-CG2 3.27Å; N36-V40 PolarHBondContact O-N 3.45Å; N36-V40 VanDerWaalsContact O-N 3.16Å; P37-V40 PolarHBondContact O-N 3.25Å; V40-A43 PolarHBondContact O-N 3.39Å; V40-K44 HydrophobicContact CG1-CD 4.21Å; V40-K44 HydrophobicContact CG1-CG 4.36Å; V40-K44 WeakPolarHBondContact O-CB 3.41Å; V40-K44 WeakPolarHBondContact O-CG 3.21Å; V40-K44 PolarHBondContact O-N 3.39Å; V40-L117 HydrophobicContact CG2-CD2 4.13Å
41	K	91.1	Very high	80.9	Confident	167 Å²	167	82.8 Å²	82.8	73%	0.726	46%	0.458	S	S	*	.	H	α-helix	trans	-61.6	-45.4	178.5	-169.6	176.8	-178.7	179.6	0	111.6	P37 G38 K44 S45	P37-K41 PolarHBondContact O-N 2.88Å; G38-K41 PolarHBondContact O-N 3.13Å; K41-K44 PolarHBondContact O-N 3.39Å; K41-S45 PolarHBondContact O-N 3.04Å
42	L	91.2	Very high	83.9	Confident	89 Å²	89	88.3 Å²	88.3	47%	0.466	46%	0.464	S	S	.	.	H	α-helix	trans	-61.5	-48	174.9	178.8	61.9	0	0	0	111.6	G38 R39 K44 S45 L46 L114	G38-L42 WeakPolarHBondContact O-CB 3.36Å; G38-L42 PolarHBondContact O-N 3.21Å; R39-L42 PolarHBondContact O-N 3.17Å; L42-K44 PolarHBondContact O-N 3.44Å; L42-S45 PolarHBondContact O-N 3.38Å; L42-L46 HydrophobicContact CD1-CD1 4.15Å; L42-L46 HydrophobicContact CD1-CG 4.23Å; L42-L46 HydrophobicContact CG-CD1 4.1Å; L42-L46 WeakPolarHBondContact O-CG 3.34Å; L42-L46 PolarHBondContact O-N 2.91Å; L42-L114 HydrophobicContact CD2-CD2 4.24Å
43	A	91.9	Very high	86.5	Confident	0 Å²	0	85.2 Å²	85.2	0%	0	45%	0.446	C	S	.	.	H	α-helix	trans	-59.1	-45.4	178.9	0	0	0	0	0	112	R39 V40 L46 V47 L114 L117 M118 L121	R39-A43 VanDerWaalsContact O-CB 3.25Å; R39-A43 WeakPolarHBondContact O-CB 3.41Å; R39-A43 PolarHBondContact O-N 3.17Å; V40-A43 PolarHBondContact O-N 3.39Å; A43-L46 PolarHBondContact O-N 3.47Å; A43-V47 WeakPolarHBondContact O-CB 3.33Å; A43-V47 WeakPolarHBondContact O-CG2 3.49Å; A43-V47 PolarHBondContact O-N 2.89Å; A43-L114 HydrophobicContact CB-CD1 3.81Å; A43-L117 HydrophobicContact CB-CD2 3.71Å; A43-L117 HydrophobicContact CB-CG 4.01Å; A43-M118 HydrophobicContact CB-CG 3.83Å; A43-L121 HydrophobicContact CB-CD1 4.05Å
44	K	93.3	Very high	88.6	Confident	107 Å²	107	84.8 Å²	84.8	47%	0.465	44%	0.435	S	S	.	.	H	α-helix	trans	-59.9	-47.4	176.1	-75.9	-177	175.4	-172.3	0	111.8	V40 K41 L42 L46 V47 E48 L121	V40-K44 HydrophobicContact CG1-CD 4.21Å; V40-K44 HydrophobicContact CG1-CG 4.36Å; V40-K44 WeakPolarHBondContact O-CB 3.41Å; V40-K44 WeakPolarHBondContact O-CG 3.21Å; V40-K44 PolarHBondContact O-N 3.39Å; K41-K44 PolarHBondContact O-N 3.39Å; L42-K44 PolarHBondContact O-N 3.44Å; K44-L46 PolarHBondContact O-N 3.46Å; K44-V47 PolarHBondContact O-N 3.29Å; K44-E48 WeakPolarHBondContact O-CB 3.46Å; K44-E48 WeakPolarHBondContact O-CG 3.46Å; K44-E48 PolarHBondContact O-N 2.84Å; K44-L121 HydrophobicContact CG-CD1 4.14Å
45	S	94.9	Very high	90.5	Very high	72 Å²	72	79.5 Å²	79.5	50%	0.503	40%	0.404	S	S	.	.	H	α-helix	trans	-60.9	-43	178.7	180	0	0	0	0	112.6	K41 L42 K49	K41-S45 PolarHBondContact O-N 3.04Å; L42-S45 PolarHBondContact O-N 3.38Å; S45-K49 WeakPolarHBondContact O-CB 3.45Å; S45-K49 PolarHBondContact O-N 3.47Å; S45-K49 VanDerWaalsContact O-N 3.14Å
46	L	95.3	Very high	92.1	Very high	70 Å²	70	75.2 Å²	75.2	37%	0.366	38%	0.382	S	S	.	.	H	α-helix	trans	-65.4	-40.5	175.8	-68.6	174.8	0	0	0	111.8	L42 A43 K44 K49 A50 M118	L42-L46 HydrophobicContact CD1-CD1 4.15Å; L42-L46 HydrophobicContact CD1-CG 4.23Å; L42-L46 HydrophobicContact CG-CD1 4.1Å; L42-L46 WeakPolarHBondContact O-CG 3.34Å; L42-L46 PolarHBondContact O-N 2.91Å; A43-L46 PolarHBondContact O-N 3.47Å; K44-L46 PolarHBondContact O-N 3.46Å; L46-K49 PolarHBondContact O-N 3.08Å; L46-A50 WeakPolarHBondContact O-CB 3.46Å; L46-A50 PolarHBondContact O-N 3.27Å; L46-M118 HydrophobicContact CB-SD 3.87Å; L46-M118 HydrophobicContact CD1-SD 3.83Å
47	V	96	Very high	93	Very high	8 Å²	8	71.1 Å²	71.1	5%	0.048	36%	0.36	C	S	.	.	H	α-helix	trans	-65.3	-48.4	178	166.7	0	0	0	0	112	A43 K44 K49 A50 I51 I76 M118 L121 V122	A43-V47 WeakPolarHBondContact O-CB 3.33Å; A43-V47 WeakPolarHBondContact O-CG2 3.49Å; A43-V47 PolarHBondContact O-N 2.89Å; K44-V47 PolarHBondContact O-N 3.29Å; V47-K49 VanDerWaalsContact C-N 3.27Å; V47-K49 PolarHBondContact O-N 3.26Å; V47-A50 PolarHBondContact O-N 3.12Å; V47-I51 HydrophobicContact CG1-CD1 3.63Å; V47-I51 HydrophobicContact CG1-CG1 4.29Å; V47-I51 WeakPolarHBondContact O-CG1 3.3Å; V47-I51 PolarHBondContact O-N 3.4Å; V47-I76 HydrophobicContact CB-CD1 4.2Å; V47-I76 HydrophobicContact CG2-CD1 3.6Å; V47-M118 HydrophobicContact CG2-CB 3.89Å; V47-M118 HydrophobicContact CG2-CG 3.93Å; V47-L121 HydrophobicContact CG1-CB 4.14Å; V47-L121 HydrophobicContact CG2-CB 4Å; V47-L121 HydrophobicContact CG2-CD1 4.07Å; V47-V122 HydrophobicContact CB-CG1 4.42Å; V47-V122 HydrophobicContact CG1-CG1 3.6Å; V47-V122 HydrophobicContact CG2-CG1 4.08Å
48	E	96.2	Very high	93.8	Very high	125 Å²	125	66.1 Å²	66.1	58%	0.584	33%	0.327	S	S	*	.	H	α-helix	trans	-56.7	-42.9	176	-75	167.9	-164.9	0	0	111.3	K44 K52	K44-E48 WeakPolarHBondContact O-CB 3.46Å; K44-E48 WeakPolarHBondContact O-CG 3.46Å; K44-E48 PolarHBondContact O-N 2.84Å; E48-K52 WeakPolarHBondContact O-CB 3.45Å; E48-K52 PolarHBondContact O-N 3.14Å
49	K	96.8	Very high	94.4	Very high	135 Å²	135	64.7 Å²	64.7	59%	0.587	31%	0.308	S	S	*	.	H	α-helix	trans	-62.7	-45	174.5	-174.7	178.7	-179.4	179.1	0	111.8	S45 L46 V47 K52 M53	S45-K49 WeakPolarHBondContact O-CB 3.45Å; S45-K49 PolarHBondContact O-N 3.47Å; S45-K49 VanDerWaalsContact O-N 3.14Å; L46-K49 PolarHBondContact O-N 3.08Å; V47-K49 VanDerWaalsContact C-N 3.27Å; V47-K49 PolarHBondContact O-N 3.26Å; K49-K52 PolarHBondContact O-N 3.25Å; K49-M53 HydrophobicContact CD-SD 4.42Å; K49-M53 HydrophobicContact CG-CG 4.45Å; K49-M53 HydrophobicContact CG-SD 3.86Å; K49-M53 WeakPolarHBondContact O-CB 3.38Å; K49-M53 VanDerWaalsContact O-CG 3.25Å; K49-M53 WeakPolarHBondContact O-CG 3.44Å; K49-M53 PolarHBondContact O-N 3.06Å
50	A	96.3	Very high	94.7	Very high	2 Å²	2	66.9 Å²	66.9	2%	0.017	32%	0.321	C	S	.	.	H	α-helix	trans	-65.6	-40.9	-179.4	0	0	0	0	0	112.4	L46 V47 M53 H54 K55 I76	L46-A50 WeakPolarHBondContact O-CB 3.46Å; L46-A50 PolarHBondContact O-N 3.27Å; V47-A50 PolarHBondContact O-N 3.12Å; A50-M53 CarbonylContact O-C 3.53Å; A50-M53 PolarHBondContact O-N 3.46Å; A50-H54 PolarHBondContact O-N 3.25Å; A50-K55 HydrophobicContact CB-CB 4.36Å; A50-K55 PolarHBondContact O-N 3.31Å; A50-I76 HydrophobicContact CB-CB 4.32Å; A50-I76 HydrophobicContact CB-CD1 3.46Å; A50-I76 VanDerWaalsContact CB-CD1 3.46Å; A50-I76 HydrophobicContact CB-CG1 3.74Å
51	I	95.8	Very high	94.8	Very high	52 Å²	52	66.7 Å²	66.7	27%	0.267	33%	0.326	S	S	.	.	H	α-helix	trans	-60.1	-51.3	174.7	-68.2	164.4	0	0	0	109.6	V47 M53 H54 I56 E125	V47-I51 HydrophobicContact CG1-CD1 3.63Å; V47-I51 HydrophobicContact CG1-CG1 4.29Å; V47-I51 WeakPolarHBondContact O-CG1 3.3Å; V47-I51 PolarHBondContact O-N 3.4Å; I51-M53 PolarHBondContact O-N 2.99Å; I51-H54 PolarHBondContact O-N 2.95Å; I51-H54 VanDerWaalsContact O-N 3.07Å; I51-I56 HydrophobicContact CG1-CD1 3.93Å; I51-E125 HydrophobicContact CD1-CG 3.84Å; I51-E125 HydrophobicContact CG1-CG 4.01Å
52	K	96.2	Very high	94.8	Very high	179 Å²	179	63.9 Å²	63.9	78%	0.778	33%	0.325	S	S	*	.	H	α-helix	trans	-60.2	-31.9	179.1	-174.7	175.5	-179.9	177.2	0	113.2	E48 K49	E48-K52 WeakPolarHBondContact O-CB 3.45Å; E48-K52 PolarHBondContact O-N 3.14Å; K49-K52 PolarHBondContact O-N 3.25Å
53	M	95.3	Very high	95	Very high	94 Å²	94	60.7 Å²	60.7	46%	0.463	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	2.9	179.7	-65.9	-175.7	76.5	0	0	113.8	K49 A50 I51 K55	K49-M53 HydrophobicContact CD-SD 4.42Å; K49-M53 HydrophobicContact CG-CG 4.45Å; K49-M53 HydrophobicContact CG-SD 3.86Å; K49-M53 WeakPolarHBondContact O-CB 3.38Å; K49-M53 VanDerWaalsContact O-CG 3.25Å; K49-M53 WeakPolarHBondContact O-CG 3.44Å; K49-M53 PolarHBondContact O-N 3.06Å; A50-M53 CarbonylContact O-C 3.53Å; A50-M53 PolarHBondContact O-N 3.46Å; I51-M53 PolarHBondContact O-N 2.99Å; M53-K55 VanDerWaalsContact C-N 3.28Å; M53-K55 HydrophobicContact CB-CB 4.5Å; M53-K55 HydrophobicContact CB-CD 4.17Å; M53-K55 HydrophobicContact CB-CG 3.95Å; M53-K55 HydrophobicContact CE-CD 4.42Å; M53-K55 PolarHBondContact O-N 3.09Å
54	H	95.8	Very high	95.1	Very high	100 Å²	100	64.7 Å²	64.7	46%	0.463	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	39.7	-175.1	-55.6	-50.1	0	0	0	113.4	A50 I51 Y128	A50-H54 PolarHBondContact O-N 3.25Å; I51-H54 PolarHBondContact O-N 2.95Å; I51-H54 VanDerWaalsContact O-N 3.07Å; H54-Y128 HydrophobicContact CB-CD1 3.71Å; H54-Y128 HydrophobicContact CB-CD2 3.79Å; H54-Y128 HydrophobicContact CB-CE1 3.72Å; H54-Y128 HydrophobicContact CB-CE2 3.8Å; H54-Y128 HydrophobicContact CB-CG 3.74Å; H54-Y128 AromaticContact CE1-CZ 3.94Å; H54-Y128 PolarHBondContact CE1-OH 3.21Å; H54-Y128 AromaticContact CG-CE1 3.69Å; H54-Y128 AromaticContact CG-CZ 3.62Å; H54-Y128 AromaticContact ND1-CE1 3.54Å; H54-Y128 AromaticContact ND1-CE2 3.58Å; H54-Y128 AromaticContact ND1-CZ 3.05Å; H54-Y128 PolarHBondContact ND1-OH 3.09Å; H54-Y128 VanDerWaalsContact O-CB 3.24Å; H54-Y128 WeakPolarHBondContact O-CB 3.43Å; H54-Y128 WeakPolarHBondContact O-CD2 3.47Å
55	K	96.9	Very high	95.3	Very high	51 Å²	51	60.9 Å²	60.9	22%	0.222	32%	0.319	C	S	.	.			trans	-107.8	51.6	-175.1	-72.4	-169.2	170.8	-173.6	0	113.1	A50 M53 R73 W75 I76	A50-K55 HydrophobicContact CB-CB 4.36Å; A50-K55 PolarHBondContact O-N 3.31Å; M53-K55 VanDerWaalsContact C-N 3.28Å; M53-K55 HydrophobicContact CB-CB 4.5Å; M53-K55 HydrophobicContact CB-CD 4.17Å; M53-K55 HydrophobicContact CB-CG 3.95Å; M53-K55 HydrophobicContact CE-CD 4.42Å; M53-K55 PolarHBondContact O-N 3.09Å; K55-R73 PolarHBondContact NZ-O 3.25Å; K55-W75 VanDerWaalsContact CA-CE3 3.47Å; K55-W75 HydrophobicContact CB-CB 4.4Å; K55-W75 HydrophobicContact CB-CD2 3.85Å; K55-W75 HydrophobicContact CB-CE3 4.1Å; K55-W75 HydrophobicContact CB-CG 3.98Å; K55-W75 HydrophobicContact CD-CG 4.4Å; K55-W75 HydrophobicContact CG-CD2 4.04Å; K55-W75 HydrophobicContact CG-CG 4.27Å; K55-W75 HydrophobicContact CG-CZ2 4.3Å; K55-W75 WeakPolarHBondContact O-CA 3.37Å; K55-I76 PolarHBondContact O-N 2.91Å
56	I	97.9	Very high	95.5	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	130.7	174.2	-60.5	165.5	0	0	0	108.4	I51 I76 Q78 V122 E125 V127 Y128 F129	I51-I56 HydrophobicContact CG1-CD1 3.93Å; I56-I76 WeakPolarHBondContact CA-O 3.41Å; I56-Q78 HydrophobicContact CG2-CB 3.95Å; I56-V122 HydrophobicContact CD1-CB 4.34Å; I56-V122 HydrophobicContact CD1-CG1 4.24Å; I56-V122 HydrophobicContact CG1-CG1 4.4Å; I56-V122 HydrophobicContact CG2-CG2 4.48Å; I56-E125 HydrophobicContact CD1-CB 3.44Å; I56-E125 VanDerWaalsContact CD1-CB 3.44Å; I56-E125 HydrophobicContact CD1-CG 4.13Å; I56-V127 HydrophobicContact CG2-CG2 4.36Å; I56-Y128 HydrophobicContact CB-CD2 4.41Å; I56-Y128 PolarHBondContact O-N 2.94Å; I56-F129 PolarHBondContact O-N 2.85Å
57	F	97.8	Very high	95.5	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	160.4	-179.4	76.9	-81.4	0	0	0	112.2	I59 R67 L70 K71 W75 I76 E77 Q78 F129	F57-I59 HydrophobicContact CD2-CD1 4.04Å; F57-I59 HydrophobicContact CD2-CG1 3.72Å; F57-I59 HydrophobicContact CE2-CD1 3.57Å; F57-I59 HydrophobicContact CE2-CG1 3.69Å; F57-R67 HydrophobicContact CE2-CG 4.45Å; F57-R67 HydrophobicContact CZ-CG 4.29Å; F57-L70 HydrophobicContact CB-CD1 4.04Å; F57-L70 HydrophobicContact CD1-CB 4.1Å; F57-L70 HydrophobicContact CD1-CD1 4.25Å; F57-L70 HydrophobicContact CD2-CB 4.41Å; F57-L70 HydrophobicContact CD2-CD1 3.36Å; F57-L70 HydrophobicContact CE1-CB 3.84Å; F57-L70 HydrophobicContact CE2-CB 4.22Å; F57-L70 HydrophobicContact CE2-CD1 3.73Å; F57-L70 HydrophobicContact CG-CB 4.33Å; F57-L70 HydrophobicContact CG-CD1 3.63Å; F57-L70 HydrophobicContact CZ-CB 3.9Å; F57-L70 HydrophobicContact CZ-CD1 4.26Å; F57-K71 HydrophobicContact CE1-CG 4.49Å; F57-K71 HydrophobicContact CZ-CG 4.35Å; F57-W75 HydrophobicContact CB-CE3 3.95Å; F57-W75 HydrophobicContact CD1-CB 3.56Å; F57-W75 HydrophobicContact CE1-CB 3.88Å; F57-I76 WeakPolarHBondContact CD1-O 3.41Å; F57-I76 VanDerWaalsContact CE1-C 3.42Å; F57-I76 PolarHBondContact N-O 2.97Å; F57-E77 HydrophobicContact CD1-CB 4.38Å; F57-E77 HydrophobicContact CD2-CG 4.41Å; F57-E77 HydrophobicContact CE1-CB 3.75Å; F57-E77 VanDerWaalsContact CE1-N 3.26Å; F57-E77 HydrophobicContact CE2-CB 3.89Å; F57-E77 HydrophobicContact CE2-CG 3.82Å; F57-E77 HydrophobicContact CZ-CB 3.48Å; F57-E77 VanDerWaalsContact CZ-CB 3.48Å; F57-E77 HydrophobicContact CZ-CG 3.95Å; F57-E77 CarbonylContact O-C 3.56Å; F57-E77 WeakPolarHBondContact O-CA 3.33Å; F57-Q78 PolarHBondContact O-N 3.26Å; F57-F129 CarbonylContact C-O 3.54Å; F57-F129 WeakPolarHBondContact CA-O 3.06Å; F57-F129 HydrophobicContact CB-CB 3.93Å; F57-F129 HydrophobicContact CB-CD1 4.25Å; F57-F129 WeakPolarHBondContact CB-O 3.45Å
58	T	96.1	Very high	95.6	Very high	3 Å²	3	59.4 Å²	59.4	2%	0.018	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	148.2	167.1	-154.3	0	0	0	0	110.4	Q78 M80 V127 F129 Y130 W131	T58-Q78 WeakPolarHBondContact CB-O 3.43Å; T58-Q78 PolarHBondContact OG1-O 2.98Å; T58-M80 HydrophobicContact CG2-CE 4.01Å; T58-V127 HydrophobicContact CG2-CG1 4.14Å; T58-F129 PolarHBondContact N-O 3.37Å; T58-Y130 HydrophobicContact CG2-CD1 3.36Å; T58-Y130 HydrophobicContact CG2-CE1 3.76Å; T58-Y130 HydrophobicContact CG2-CG 4.43Å; T58-W131 PolarHBondContact O-N 3.47Å; T58-W131 VanDerWaalsContact O-N 3.07Å
59	I	94.9	Very high	95.7	Very high	16 Å²	16	53.7 Å²	53.7	8%	0.082	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	129.5	179.3	-61.2	-177.8	0	0	0	109.2	F57 Y63 I66 R67 W131	F57-I59 HydrophobicContact CD2-CD1 4.04Å; F57-I59 HydrophobicContact CD2-CG1 3.72Å; F57-I59 HydrophobicContact CE2-CD1 3.57Å; F57-I59 HydrophobicContact CE2-CG1 3.69Å; I59-Y63 HydrophobicContact CG2-CD2 4.09Å; I59-Y63 HydrophobicContact CG2-CG 4.48Å; I59-I66 HydrophobicContact CD1-CB 4.08Å; I59-I66 HydrophobicContact CD1-CG2 3.76Å; I59-I66 HydrophobicContact CG1-CG2 4.48Å; I59-R67 HydrophobicContact CD1-CB 3.71Å; I59-R67 HydrophobicContact CD1-CG 4.42Å; I59-W131 CarbonylContact C-O 3.46Å; I59-W131 VanDerWaalsContact CA-O 3.28Å; I59-W131 WeakPolarHBondContact CA-O 3.48Å; I59-W131 HydrophobicContact CG1-CB 4.22Å
60	Q	91.6	Very high	95.7	Very high	97 Å²	97	47.3 Å²	47.3	45%	0.453	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	105.9	170.3	-172.7	175.7	-2.7	0	0	110.5	W131 T132 N133	Q60-W131 PolarHBondContact N-O 3.31Å; Q60-T132 HydrophobicContact CB-CG2 4.13Å; Q60-T132 CarbonylContact O-C 3.54Å; Q60-T132 WeakPolarHBondContact O-CA 3.46Å; Q60-N133 PolarHBondContact O-N 3.14Å
61	G	89	Confident	95.7	Very high	32 Å²	32	49.2 Å²	49.2	33%	0.33	26%	0.264	S	S	.	.	S	Bend	trans	121.3	175.9	179.9	0	0	0	0	0	113.4	Y63	G61-Y63 VanDerWaalsContact C-N 3.29Å; G61-Y63 PolarHBondContact O-N 3.34Å
62	P	91.6	Very high	95.7	Very high	109 Å²	109	51 Å²	51	71%	0.708	29%	0.286	S	S	*	.	S	Bend	trans	-81.6	69.8	-173.6	34.2	-36	0	0	0	111.7	P64	P62-P64 WeakPolarHBondContact O-CD 3.49Å
63	Y	94.9	Very high	95.7	Very high	21 Å²	21	44.4 Å²	44.4	8%	0.082	26%	0.256	C	S	.	.			trans	-112.9	68.3	178.6	-62.5	-79.7	0	0	0	112.1	I59 G61 V65 I66 R67 W131 N133 M531	I59-Y63 HydrophobicContact CG2-CD2 4.09Å; I59-Y63 HydrophobicContact CG2-CG 4.48Å; G61-Y63 VanDerWaalsContact C-N 3.29Å; G61-Y63 PolarHBondContact O-N 3.34Å; Y63-V65 VanDerWaalsContact C-N 3.28Å; Y63-V65 PolarHBondContact O-N 3.28Å; Y63-I66 PolarHBondContact O-N 3.32Å; Y63-R67 PolarHBondContact O-N 3.41Å; Y63-R67 VanDerWaalsContact O-N 3.14Å; Y63-W131 AromaticContact CD1-NE1 3.37Å; Y63-W131 AromaticContact CD2-CD1 3.47Å; Y63-W131 VanDerWaalsContact CD2-CD1 3.47Å; Y63-W131 AromaticContact CD2-NE1 3.62Å; Y63-W131 AromaticContact CE1-NE1 3.47Å; Y63-W131 AromaticContact CE2-CD1 3.78Å; Y63-W131 AromaticContact CE2-NE1 3.71Å; Y63-W131 AromaticContact CG-CD1 3.64Å; Y63-W131 AromaticContact CG-NE1 3.45Å; Y63-W131 AromaticContact CZ-NE1 3.66Å; Y63-N133 HydrophobicContact CE2-CB 3.88Å; Y63-N133 PolarHBondContact OH-OD1 3.5Å; Y63-M531 HydrophobicContact CE1-CB 4.18Å; Y63-M531 HydrophobicContact CE1-CG 4.21Å
64	P	95.4	Very high	95.7	Very high	84 Å²	84	42 Å²	42	55%	0.545	26%	0.256	S	S	.	.	H	α-helix	trans	-64.4	-32.8	-179.5	27.5	-34.6	0	0	0	112.5	P62 R67 A68	P62-P64 WeakPolarHBondContact O-CD 3.49Å; P64-R67 WeakPolarHBondContact O-CB 3.38Å; P64-R67 PolarHBondContact O-N 3.49Å; P64-A68 WeakPolarHBondContact O-CB 2.84Å; P64-A68 PolarHBondContact O-N 3.33Å
65	V	97	Very high	95.8	Very high	28 Å²	28	38.5 Å²	38.5	17%	0.17	24%	0.238	C	C	.	.	H	α-helix	trans	-62.3	-53.3	177.8	-179.8	0	0	0	0	110.5	Y63 R67 A68 A69 T543 Q546	Y63-V65 VanDerWaalsContact C-N 3.28Å; Y63-V65 PolarHBondContact O-N 3.28Å; V65-R67 VanDerWaalsContact C-N 3.27Å; V65-R67 PolarHBondContact O-N 2.93Å; V65-A68 PolarHBondContact O-N 3.18Å; V65-A69 VanDerWaalsContact O-CB 3.22Å; V65-A69 WeakPolarHBondContact O-CB 3.38Å; V65-A69 PolarHBondContact O-N 3.17Å; V65-T543 HydrophobicContact CG1-CG2 3.93Å; V65-T543 HydrophobicContact CG2-CG2 3.92Å; V65-Q546 HydrophobicContact CB-CB 4.32Å; V65-Q546 HydrophobicContact CG1-CB 3.85Å
66	I	97.8	Very high	95.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-57.8	-42.1	176.7	-59.5	-63.3	0	0	0	111.3	I59 Y63 A69 L70 W131 Q546 L550	I59-I66 HydrophobicContact CD1-CB 4.08Å; I59-I66 HydrophobicContact CD1-CG2 3.76Å; I59-I66 HydrophobicContact CG1-CG2 4.48Å; Y63-I66 PolarHBondContact O-N 3.32Å; I66-A69 PolarHBondContact O-N 2.9Å; I66-L70 HydrophobicContact CG2-CD1 3.69Å; I66-L70 HydrophobicContact CG2-CG 4.3Å; I66-L70 WeakPolarHBondContact O-CB 3.21Å; I66-L70 VanDerWaalsContact O-CG 3.3Å; I66-L70 WeakPolarHBondContact O-CG 3.35Å; I66-L70 PolarHBondContact O-N 3.13Å; I66-W131 HydrophobicContact CB-CD2 4.46Å; I66-W131 HydrophobicContact CD1-CD2 4.13Å; I66-W131 HydrophobicContact CD1-CE3 3.98Å; I66-W131 HydrophobicContact CD1-CH2 3.43Å; I66-W131 VanDerWaalsContact CD1-CH2 3.43Å; I66-W131 HydrophobicContact CD1-CZ2 3.6Å; I66-W131 HydrophobicContact CD1-CZ3 3.63Å; I66-W131 HydrophobicContact CG1-CD2 3.89Å; I66-W131 HydrophobicContact CG1-CE3 4.23Å; I66-W131 HydrophobicContact CG1-CG 4.42Å; I66-W131 HydrophobicContact CG1-CH2 4.11Å; I66-W131 HydrophobicContact CG1-CZ2 3.77Å; I66-W131 HydrophobicContact CG1-CZ3 4.32Å; I66-W131 HydrophobicContact CG2-CB 4.19Å; I66-W131 HydrophobicContact CG2-CD2 3.88Å; I66-W131 HydrophobicContact CG2-CE3 3.96Å; I66-W131 HydrophobicContact CG2-CG 3.99Å; I66-Q546 HydrophobicContact CD1-CB 3.66Å; I66-Q546 HydrophobicContact CD1-CG 4.06Å; I66-Q546 WeakPolarHBondContact CD1-O 3.09Å; I66-Q546 HydrophobicContact CG1-CB 4.29Å; I66-Q546 HydrophobicContact CG1-CG 4.32Å; I66-L550 HydrophobicContact CD1-CD1 3.93Å; I66-L550 HydrophobicContact CD1-CD2 4.39Å; I66-L550 HydrophobicContact CD1-CG 4.04Å; I66-L550 HydrophobicContact CG2-CD1 4.34Å
67	R	97.1	Very high	95.8	Very high	59 Å²	59	37 Å²	37	22%	0.223	23%	0.233	C	C	.	.	H	α-helix	trans	-60.1	-49.7	177.4	-172.4	176.6	-72.9	98.5	6	111.9	F57 I59 Y63 P64 V65 K71 E77	F57-R67 HydrophobicContact CE2-CG 4.45Å; F57-R67 HydrophobicContact CZ-CG 4.29Å; I59-R67 HydrophobicContact CD1-CB 3.71Å; I59-R67 HydrophobicContact CD1-CG 4.42Å; Y63-R67 PolarHBondContact O-N 3.41Å; Y63-R67 VanDerWaalsContact O-N 3.14Å; P64-R67 WeakPolarHBondContact O-CB 3.38Å; P64-R67 PolarHBondContact O-N 3.49Å; V65-R67 VanDerWaalsContact C-N 3.27Å; V65-R67 PolarHBondContact O-N 2.93Å; R67-K71 HydrophobicContact CG-CD 4.25Å; R67-K71 WeakPolarHBondContact O-CB 3.4Å; R67-K71 VanDerWaalsContact O-CG 3.26Å; R67-K71 WeakPolarHBondContact O-CG 3.32Å; R67-K71 PolarHBondContact O-N 2.98Å; R67-K71 VanDerWaalsContact O-N 3.08Å; R67-E77 VanDerWaalsContact CD-OE2 3.26Å; R67-E77 WeakPolarHBondContact CD-OE2 3.43Å; R67-E77 IonicContact CZ-OE1 3.33Å; R67-E77 VanDerWaalsContact NE-CD 3.26Å; R67-E77 IonicContact NE-OE1 2.78Å; R67-E77 PolarHBondContact NE-OE1 3.05Å; R67-E77 IonicContact NE-OE2 3.03Å; R67-E77 PolarHBondContact NE-OE2 3.3Å; R67-E77 IonicContact NH2-OE1 2.98Å; R67-E77 PolarHBondContact NH2-OE1 3.38Å
68	A	96.9	Very high	95.7	Very high	60 Å²	60	38.5 Å²	38.5	50%	0.496	24%	0.24	S	C	.	.	H	α-helix	trans	-63.2	-44.2	179.6	0	0	0	0	0	111.1	P64 V65 L70 K71 A72	P64-A68 WeakPolarHBondContact O-CB 2.84Å; P64-A68 PolarHBondContact O-N 3.33Å; V65-A68 PolarHBondContact O-N 3.18Å; A68-L70 PolarHBondContact O-N 2.92Å; A68-K71 PolarHBondContact O-N 3.35Å; A68-A72 WeakPolarHBondContact O-CB 3.47Å; A68-A72 PolarHBondContact O-N 3.41Å
69	A	97.8	Very high	95.3	Very high	5 Å²	5	43.5 Å²	43.5	4%	0.041	26%	0.258	C	S	.	.	H	α-helix	trans	-61.8	-42.5	179.6	0	0	0	0	0	113.9	V65 I66 R73 E547 L550	V65-A69 VanDerWaalsContact O-CB 3.22Å; V65-A69 WeakPolarHBondContact O-CB 3.38Å; V65-A69 PolarHBondContact O-N 3.17Å; I66-A69 PolarHBondContact O-N 2.9Å; A69-R73 WeakPolarHBondContact O-CG 3.35Å; A69-R73 PolarHBondContact O-N 2.57Å; A69-R73 PolarHBondContact O-NH1 3.13Å; A69-E547 WeakPolarHBondContact CB-OE2 3.28Å; A69-L550 HydrophobicContact CB-CD1 3.32Å
70	L	98	Very high	94.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-69	-43.7	176.1	-72.9	170.8	0	0	0	111.1	F57 I66 A68 A72 R73 G74 W75 F129 L550 L554	F57-L70 HydrophobicContact CB-CD1 4.04Å; F57-L70 HydrophobicContact CD1-CB 4.1Å; F57-L70 HydrophobicContact CD1-CD1 4.25Å; F57-L70 HydrophobicContact CD2-CB 4.41Å; F57-L70 HydrophobicContact CD2-CD1 3.36Å; F57-L70 HydrophobicContact CE1-CB 3.84Å; F57-L70 HydrophobicContact CE2-CB 4.22Å; F57-L70 HydrophobicContact CE2-CD1 3.73Å; F57-L70 HydrophobicContact CG-CB 4.33Å; F57-L70 HydrophobicContact CG-CD1 3.63Å; F57-L70 HydrophobicContact CZ-CB 3.9Å; F57-L70 HydrophobicContact CZ-CD1 4.26Å; I66-L70 HydrophobicContact CG2-CD1 3.69Å; I66-L70 HydrophobicContact CG2-CG 4.3Å; I66-L70 WeakPolarHBondContact O-CB 3.21Å; I66-L70 VanDerWaalsContact O-CG 3.3Å; I66-L70 WeakPolarHBondContact O-CG 3.35Å; I66-L70 PolarHBondContact O-N 3.13Å; A68-L70 PolarHBondContact O-N 2.92Å; L70-A72 VanDerWaalsContact C-N 3.32Å; L70-A72 PolarHBondContact O-N 3.16Å; L70-R73 CarbonylContact O-C 3.54Å; L70-R73 WeakPolarHBondContact O-CA 3.45Å; L70-R73 WeakPolarHBondContact O-CB 3.49Å; L70-R73 PolarHBondContact O-N 2.9Å; L70-G74 PolarHBondContact O-N 3.06Å; L70-W75 HydrophobicContact CB-CB 4.07Å; L70-W75 HydrophobicContact CB-CG 4.36Å; L70-W75 HydrophobicContact CD2-CD2 4.16Å; L70-W75 HydrophobicContact CD2-CG 4.15Å; L70-W75 VanDerWaalsContact O-CB 3.29Å; L70-W75 WeakPolarHBondContact O-CB 3.49Å; L70-W75 PolarHBondContact O-N 3.29Å; L70-F129 HydrophobicContact CD1-CD1 3.78Å; L70-F129 HydrophobicContact CD1-CE1 3.82Å; L70-F129 HydrophobicContact CD2-CD1 4.31Å; L70-F129 HydrophobicContact CD2-CE1 4.34Å; L70-L550 HydrophobicContact CD2-CD1 4.38Å; L70-L550 HydrophobicContact CD2-CD2 4.18Å; L70-L550 HydrophobicContact CG-CD1 4.15Å; L70-L554 HydrophobicContact CD2-CD1 3.48Å; L70-L554 VanDerWaalsContact CD2-CD1 3.48Å
71	K	96.1	Very high	92.5	Very high	43 Å²	43	48.6 Å²	48.6	19%	0.187	29%	0.291	C	S	.	.	H	α-helix	trans	-58.6	-42.9	174.5	-75.8	175.2	171.6	-166	0	111.9	F57 R67 A68 R73 G74 H115	F57-K71 HydrophobicContact CE1-CG 4.49Å; F57-K71 HydrophobicContact CZ-CG 4.35Å; R67-K71 HydrophobicContact CG-CD 4.25Å; R67-K71 WeakPolarHBondContact O-CB 3.4Å; R67-K71 VanDerWaalsContact O-CG 3.26Å; R67-K71 WeakPolarHBondContact O-CG 3.32Å; R67-K71 PolarHBondContact O-N 2.98Å; R67-K71 VanDerWaalsContact O-N 3.08Å; A68-K71 PolarHBondContact O-N 3.35Å; K71-R73 PolarHBondContact O-N 3.45Å; K71-G74 WeakPolarHBondContact O-CA 3.37Å; K71-G74 PolarHBondContact O-N 3.16Å; K71-H115 PolarHBondContact NZ-CD2 2.89Å; K71-H115 VanDerWaalsContact NZ-CG 3.31Å; K71-H115 PolarHBondContact NZ-NE2 3.05Å
72	A	95.9	Very high	90.5	Very high	89 Å²	89	55.9 Å²	55.9	74%	0.736	32%	0.317	S	S	*	.	H	α-helix	trans	-61.5	-29.3	175.7	0	0	0	0	0	112.7	A68 L70 G74	A68-A72 WeakPolarHBondContact O-CB 3.47Å; A68-A72 PolarHBondContact O-N 3.41Å; L70-A72 VanDerWaalsContact C-N 3.32Å; L70-A72 PolarHBondContact O-N 3.16Å; A72-G74 PolarHBondContact O-N 3.47Å
73	R	95.9	Very high	87.9	Confident	40 Å²	40	58.7 Å²	58.7	15%	0.151	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	6.7	173.4	-70.8	170.8	175	76.3	0.1	113.7	K55 A69 L70 K71 E547 D555	K55-R73 PolarHBondContact NZ-O 3.25Å; A69-R73 WeakPolarHBondContact O-CG 3.35Å; A69-R73 PolarHBondContact O-N 2.57Å; A69-R73 PolarHBondContact O-NH1 3.13Å; L70-R73 CarbonylContact O-C 3.54Å; L70-R73 WeakPolarHBondContact O-CA 3.45Å; L70-R73 WeakPolarHBondContact O-CB 3.49Å; L70-R73 PolarHBondContact O-N 2.9Å; K71-R73 PolarHBondContact O-N 3.45Å; R73-E547 IonicContact CZ-OE1 2.68Å; R73-E547 VanDerWaalsContact CZ-OE1 3.25Å; R73-E547 IonicContact NH1-OE1 2.58Å; R73-E547 PolarHBondContact NH1-OE1 3.41Å; R73-E547 IonicContact NH1-OE2 3.54Å; R73-E547 IonicContact NH2-OE1 3.23Å; R73-E547 PolarHBondContact NH2-OE1 3.44Å; R73-D555 IonicContact CZ-OD1 3.64Å; R73-D555 IonicContact CZ-OD2 2.87Å; R73-D555 IonicContact NE-OD1 3.96Å; R73-D555 PolarHBondContact NE-OD1 3.48Å; R73-D555 IonicContact NE-OD2 2.78Å; R73-D555 PolarHBondContact NE-OD2 2.87Å; R73-D555 IonicContact NH2-OD1 2.79Å; R73-D555 IonicContact NH2-OD2 3.25Å; R73-D555 PolarHBondContact NH2-OD2 3.33Å
74	G	95.8	Very high	85	Confident	45 Å²	45	64 Å²	64	46%	0.464	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.9	23.1	-179.5	0	0	0	0	0	114.2	L70 K71 A72	L70-G74 PolarHBondContact O-N 3.06Å; K71-G74 WeakPolarHBondContact O-CA 3.37Å; K71-G74 PolarHBondContact O-N 3.16Å; A72-G74 PolarHBondContact O-N 3.47Å
75	W	97.6	Very high	82	Confident	25 Å²	25	67.6 Å²	67.6	10%	0.095	37%	0.365	C	S	.	.			trans	-85.3	150.1	172.7	-65.2	65.9	0	0	0	111.9	K55 F57 L70 F129 L554	K55-W75 VanDerWaalsContact CA-CE3 3.47Å; K55-W75 HydrophobicContact CB-CB 4.4Å; K55-W75 HydrophobicContact CB-CD2 3.85Å; K55-W75 HydrophobicContact CB-CE3 4.1Å; K55-W75 HydrophobicContact CB-CG 3.98Å; K55-W75 HydrophobicContact CD-CG 4.4Å; K55-W75 HydrophobicContact CG-CD2 4.04Å; K55-W75 HydrophobicContact CG-CG 4.27Å; K55-W75 HydrophobicContact CG-CZ2 4.3Å; K55-W75 WeakPolarHBondContact O-CA 3.37Å; F57-W75 HydrophobicContact CB-CE3 3.95Å; F57-W75 HydrophobicContact CD1-CB 3.56Å; F57-W75 HydrophobicContact CE1-CB 3.88Å; L70-W75 HydrophobicContact CB-CB 4.07Å; L70-W75 HydrophobicContact CB-CG 4.36Å; L70-W75 HydrophobicContact CD2-CD2 4.16Å; L70-W75 HydrophobicContact CD2-CG 4.15Å; L70-W75 VanDerWaalsContact O-CB 3.29Å; L70-W75 WeakPolarHBondContact O-CB 3.49Å; L70-W75 PolarHBondContact O-N 3.29Å; W75-F129 HydrophobicContact CE3-CB 4.08Å; W75-F129 HydrophobicContact CH2-CB 3.84Å; W75-F129 HydrophobicContact CZ3-CB 3.38Å; W75-F129 HydrophobicContact CZ3-CG 4.4Å; W75-L554 HydrophobicContact CH2-CD2 4.33Å; W75-L554 HydrophobicContact CZ2-CD1 4.1Å; W75-L554 HydrophobicContact CZ2-CD2 3.89Å
76	I	97.8	Very high	79	Confident	8 Å²	8	74.2 Å²	74.2	4%	0.041	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	129.2	179.2	-61.7	-176.3	0	0	0	110.1	V47 A50 K55 I56 F57 M118 V122	V47-I76 HydrophobicContact CB-CD1 4.2Å; V47-I76 HydrophobicContact CG2-CD1 3.6Å; A50-I76 HydrophobicContact CB-CB 4.32Å; A50-I76 HydrophobicContact CB-CD1 3.46Å; A50-I76 VanDerWaalsContact CB-CD1 3.46Å; A50-I76 HydrophobicContact CB-CG1 3.74Å; K55-I76 PolarHBondContact O-N 2.91Å; I56-I76 WeakPolarHBondContact CA-O 3.41Å; F57-I76 WeakPolarHBondContact CD1-O 3.41Å; F57-I76 VanDerWaalsContact CE1-C 3.42Å; F57-I76 PolarHBondContact N-O 2.97Å; I76-M118 HydrophobicContact CD1-CB 4.41Å; I76-M118 HydrophobicContact CD1-SD 3.99Å; I76-M118 HydrophobicContact CG1-SD 4.45Å; I76-M118 HydrophobicContact CG2-CB 3.89Å; I76-V122 HydrophobicContact CG2-CG1 4.07Å; I76-V122 HydrophobicContact CG2-CG2 3.9Å
77	E	96.7	Very high	76.1	Confident	14 Å²	14	85.1 Å²	85.1	7%	0.065	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	123.9	178	-169	174.8	-162.5	0	0	110	F57 R67 R79 S119	F57-E77 HydrophobicContact CD1-CB 4.38Å; F57-E77 HydrophobicContact CD2-CG 4.41Å; F57-E77 HydrophobicContact CE1-CB 3.75Å; F57-E77 VanDerWaalsContact CE1-N 3.26Å; F57-E77 HydrophobicContact CE2-CB 3.89Å; F57-E77 HydrophobicContact CE2-CG 3.82Å; F57-E77 HydrophobicContact CZ-CB 3.48Å; F57-E77 VanDerWaalsContact CZ-CB 3.48Å; F57-E77 HydrophobicContact CZ-CG 3.95Å; F57-E77 CarbonylContact O-C 3.56Å; F57-E77 WeakPolarHBondContact O-CA 3.33Å; R67-E77 VanDerWaalsContact CD-OE2 3.26Å; R67-E77 WeakPolarHBondContact CD-OE2 3.43Å; R67-E77 IonicContact CZ-OE1 3.33Å; R67-E77 VanDerWaalsContact NE-CD 3.26Å; R67-E77 IonicContact NE-OE1 2.78Å; R67-E77 PolarHBondContact NE-OE1 3.05Å; R67-E77 IonicContact NE-OE2 3.03Å; R67-E77 PolarHBondContact NE-OE2 3.3Å; R67-E77 IonicContact NH2-OE1 2.98Å; R67-E77 PolarHBondContact NH2-OE1 3.38Å; E77-R79 HydrophobicContact CG-CG 4.15Å; E77-R79 IonicContact OE2-NE 3.95Å; E77-S119 WeakPolarHBondContact O-CA 3.49Å; E77-S119 WeakPolarHBondContact O-CB 3.39Å; E77-S119 PolarHBondContact O-OG 3.4Å
78	Q	95.4	Very high	73	Confident	31 Å²	31	90.2 Å²	90.2	15%	0.145	47%	0.465	C	S	.	.			trans	-92.8	97.8	164.2	-176.1	176.9	-6.3	0	0	108	I56 F57 T58 M80 V122 R123 E125 V127	I56-Q78 HydrophobicContact CG2-CB 3.95Å; F57-Q78 PolarHBondContact O-N 3.26Å; T58-Q78 WeakPolarHBondContact CB-O 3.43Å; T58-Q78 PolarHBondContact OG1-O 2.98Å; Q78-M80 PolarHBondContact O-N 3.37Å; Q78-V122 HydrophobicContact CB-CG2 3.94Å; Q78-V122 VanDerWaalsContact CD-O 3.28Å; Q78-V122 HydrophobicContact CG-CG2 4.33Å; Q78-V122 PolarHBondContact NE2-O 3.48Å; Q78-R123 PolarHBondContact NE2-O 2.95Å; Q78-E125 PolarHBondContact NE2-O 3.02Å; Q78-E125 PolarHBondContact OE1-O 2.79Å; Q78-V127 HydrophobicContact CB-CG2 4.28Å; Q78-V127 HydrophobicContact CG-CG2 4.48Å
79	R	88.9	Confident	70	Confident	108 Å²	108	95.2 Å²	95.2	41%	0.408	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-68.7	128.8	176.8	-65.1	180	177.5	-179.1	-0.8	109.8	E77 S119	E77-R79 HydrophobicContact CG-CG 4.15Å; E77-R79 IonicContact OE2-NE 3.95Å; R79-S119 WeakPolarHBondContact CB-OG 3.44Å; R79-S119 PolarHBondContact N-OG 3.12Å
80	M	69.9	Low	66.8	Low	119 Å²	119	100 Å²	100	59%	0.586	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-60.7	142.8	168.8	-67.7	-73.3	179.2	0	0	109.3	T58 Q78 Q82	T58-M80 HydrophobicContact CG2-CE 4.01Å; Q78-M80 PolarHBondContact O-N 3.37Å; M80-Q82 PolarHBondContact O-N 3.45Å
81	P	58	Low	63.6	Low	100 Å²	100	106.8 Å²	106.8	65%	0.649	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-55.5	126.7	168.8	-18.8	30.2	0	0	0	108.7	Q83	P81-Q83 PolarHBondContact O-N 3.02Å
82	Q	47.1	Very low	60.6	Low	186 Å²	186	110.6 Å²	110.6	87%	0.869	59%	0.585	S	S	*	*			trans	-59.8	110.5	167.9	-78.3	169.9	-26.5	0	0	106.9	M80 V84	M80-Q82 PolarHBondContact O-N 3.45Å; Q82-V84 PolarHBondContact O-N 2.92Å; Q82-V84 VanDerWaalsContact O-N 3.14Å
83	Q	36.7	Very low	57.7	Low	167 Å²	167	117.5 Å²	117.5	78%	0.78	59%	0.592	S	S	*	*			trans	-59.7	118	156.4	-79.5	-178.9	-18.2	0	0	105.4	P81 Q85	P81-Q83 PolarHBondContact O-N 3.02Å; Q83-Q85 PolarHBondContact O-N 2.88Å
84	V	32.5	Very low	54.6	Low	133 Å²	133	121 Å²	121	81%	0.806	62%	0.623	S	S	*	*			trans	-62.8	86.6	167.9	177.2	0	0	0	0	106	Q82 Q86	Q82-V84 PolarHBondContact O-N 2.92Å; Q82-V84 VanDerWaalsContact O-N 3.14Å; V84-Q86 PolarHBondContact O-N 3.41Å
85	Q	33.4	Very low	51.5	Low	159 Å²	159	125.4 Å²	125.4	74%	0.743	64%	0.636	S	S	*	*			trans	-71.4	102.4	167.6	-148.8	86.9	19.6	0	0	105.2	Q83 R87	Q83-Q85 PolarHBondContact O-N 2.88Å; Q85-R87 PolarHBondContact O-N 3.38Å; Q85-R87 VanDerWaalsContact O-N 3.16Å
86	Q	34.6	Very low	48.3	Very low	167 Å²	167	130 Å²	130	78%	0.78	66%	0.662	S	S	*	*			trans	-46.5	121.9	171.5	-82.3	172.1	-28.9	0	0	109.4	V84 L88	V84-Q86 PolarHBondContact O-N 3.41Å; Q86-L88 PolarHBondContact O-N 3.47Å
87	R	35.1	Very low	45.3	Very low	230 Å²	230	133.9 Å²	133.9	87%	0.868	70%	0.696	S	S	*	*	S	Bend	trans	-53.6	103.9	151.7	-69.5	176.6	174.6	-178.6	-2.7	106.6	Q85	Q85-R87 PolarHBondContact O-N 3.38Å; Q85-R87 VanDerWaalsContact O-N 3.16Å
88	L	33.5	Very low	42.3	Very low	165 Å²	165	142.9 Å²	142.9	86%	0.864	74%	0.738	S	S	*	*			trans	-175	114	153	-94.3	161.5	0	0	0	108.2	Q86	Q86-L88 PolarHBondContact O-N 3.47Å
89	N	32.4	Very low	39.5	Very low	165 Å²	165	148.7 Å²	148.7	88%	0.882	77%	0.765	S	S	*	*			trans	-55.4	150.3	177.5	-78.9	-27	0	0	0	112.8
90	S	31.8	Very low	36.6	Very low	107 Å²	107	151.3 Å²	151.3	75%	0.748	79%	0.787	S	S	*	*				-159.6	144.5	79.6	51.5	0	0	0	0	116.9
91	D	30.8	Very low	34.9	Very low	142 Å²	142	151.2 Å²	151.2	76%	0.759	79%	0.789	S	S	*	*			trans	68.5	86.1	150.5	-67.1	-24.6	0	0	0	122.5
92	S	32	Very low	33.6	Very low	122 Å²	122	151.4 Å²	151.4	85%	0.853	79%	0.793	S	S	*	*				-168	119.4	117.1	31.1	0	0	0	0	111	S94	S92-S94 PolarHBondContact O-N 3.31Å
93	R	36.6	Very low	33.2	Very low	234 Å²	234	151.1 Å²	151.1	88%	0.883	79%	0.791	S	S	*	*			trans	-64.2	118.3	-164.9	-65.7	172.5	178.2	173.3	-2.3	113.8
94	S	31	Very low	32.9	Very low	114 Å²	114	150.6 Å²	150.6	80%	0.797	79%	0.789	S	S	*	*			trans	-127.8	87.7	148.6	66.2	0	0	0	0	108.6	S92	S92-S94 PolarHBondContact O-N 3.31Å
95	N	30.5	Very low	33	Very low	137 Å²	137	151.5 Å²	151.5	73%	0.733	80%	0.795	S	S	*	*			trans	-77.6	124.9	169.1	-73.3	1.8	0	0	0	108.2
96	D	30.2	Very low	33.3	Very low	121 Å²	121	150.9 Å²	150.9	65%	0.647	79%	0.792	S	S	*	*			trans	165.8	73.7	137.5	-79.9	-8.2	0	0	0	109.4	H440	D96-H440 IonicContact OD2-CE1 2.84Å; D96-H440 IonicContact OD2-NE2 3.82Å
97	A	34.6	Very low	33.7	Very low	90 Å²	90	152.1 Å²	152.1	74%	0.744	80%	0.795	S	S	*	*			trans	-156.8	86	155.4	0	0	0	0	0	105.9	E99	A97-E99 PolarHBondContact O-N 3.19Å
98	E	33.3	Very low	34.4	Very low	204 Å²	204	146.8 Å²	146.8	95%	0.953	78%	0.78	S	S	*	*			trans	-75.8	111.2	164	-70.7	-162.2	168.9	0	0	107.3
99	E	36.9	Very low	35.9	Very low	153 Å²	153	145.7 Å²	145.7	72%	0.715	77%	0.768	S	S	*	*			trans	-77.1	121.7	169.1	-71.1	178.6	169	0	0	108.6	A97 N101	A97-E99 PolarHBondContact O-N 3.19Å; E99-N101 PolarHBondContact O-N 3.03Å; E99-N101 PolarHBondContact OE2-ND2 2.98Å; E99-N101 VanDerWaalsContact OE2-ND2 3.1Å
100	D	28.8	Very low	37.2	Very low	163 Å²	163	142.6 Å²	142.6	87%	0.872	75%	0.748	S	S	*	*			trans	-83.7	92.9	161.6	-152.1	3.1	0	0	0	106.7
101	N	33	Very low	38.8	Very low	117 Å²	117	141.3 Å²	141.3	63%	0.626	74%	0.737	S	S	*	*			trans	-94.6	92.2	174.5	-87.9	-39.9	0	0	0	108.7	E99	E99-N101 PolarHBondContact O-N 3.03Å; E99-N101 PolarHBondContact OE2-ND2 2.98Å; E99-N101 VanDerWaalsContact OE2-ND2 3.1Å
102	S	32	Very low	41	Very low	103 Å²	103	137.7 Å²	137.7	72%	0.72	72%	0.718	S	S	*	*			trans	-81.8	108.4	152.6	47.3	0	0	0	0	108.3	E104	S102-E104 VanDerWaalsContact C-N 3.32Å; S102-E104 PolarHBondContact O-N 3.37Å
103	E	36.8	Very low	43.3	Very low	180 Å²	180	136.7 Å²	136.7	84%	0.841	70%	0.696	S	S	*	*			trans	-66.5	89.6	168.5	-73.8	-178	163.5	0	0	109.4
104	E	30.8	Very low	45.7	Very low	157 Å²	157	127.2 Å²	127.2	73%	0.734	66%	0.662	S	S	*	*			trans	-102.1	118.4	157	-79.5	-169.5	167.4	0	0	109.1	S102 E106	S102-E104 VanDerWaalsContact C-N 3.32Å; S102-E104 PolarHBondContact O-N 3.37Å; E104-E106 PolarHBondContact O-N 3.01Å
105	T	35.8	Very low	48.4	Very low	151 Å²	151	124.1 Å²	124.1	93%	0.926	64%	0.635	S	S	*	*			trans	-68.1	73.4	176.6	-17.7	0	0	0	0	110.1	K107	T105-K107 PolarHBondContact O-N 3.38Å
106	E	38.6	Very low	51.2	Low	147 Å²	147	119.1 Å²	119.1	69%	0.687	61%	0.611	S	S	*	*			trans	-69.2	126.2	176	-75.6	-158.4	159.7	0	0	110.9	E104 E108	E104-E106 PolarHBondContact O-N 3.01Å; E106-E108 PolarHBondContact O-N 3.15Å; E106-E108 VanDerWaalsContact O-N 3.12Å
107	K	44.1	Very low	54	Low	193 Å²	193	114.1 Å²	114.1	84%	0.839	58%	0.584	S	S	*	*			trans	-57.2	114.5	168.6	-71.1	174.1	178.2	173	0	109.1	T105 K109	T105-K107 PolarHBondContact O-N 3.38Å; K107-K109 PolarHBondContact O-N 3.47Å
108	E	50	Low	56.9	Low	118 Å²	118	110.2 Å²	110.2	55%	0.551	55%	0.55	S	S	*	*			trans	-47.1	125.2	176.3	-75.4	-172.2	157.7	0	0	111.7	E106 R113	E106-E108 PolarHBondContact O-N 3.15Å; E106-E108 VanDerWaalsContact O-N 3.12Å; E108-R113 HydrophobicContact CB-CG 4.29Å; E108-R113 PolarHBondContact O-NE 2.89Å
109	K	63.2	Low	59.7	Low	141 Å²	141	101 Å²	101	61%	0.613	51%	0.508	S	S	*	.			trans	-61.7	146	-179.3	-63.6	177	-178.3	171.2	0	110.7	K107 P111 D112 R113	K107-K109 PolarHBondContact O-N 3.47Å; K109-P111 VanDerWaalsContact C-CD 3.42Å; K109-D112 WeakPolarHBondContact O-CB 3.39Å; K109-D112 PolarHBondContact O-N 3.14Å; K109-R113 PolarHBondContact O-N 3.5Å
110	E	60.7	Low	62.4	Low	101 Å²	101	99.6 Å²	99.6	47%	0.472	50%	0.496	S	S	.	.	H	α-helix	trans	-49.3	-42.3	-179.5	-86.6	-70.9	128	0	0	115.4	R39 D112 R113 L114	R39-E110 IonicContact CZ-OE1 3.71Å; R39-E110 IonicContact CZ-OE2 3.44Å; R39-E110 IonicContact NE-OE2 3.82Å; R39-E110 IonicContact NH2-OE1 2.77Å; R39-E110 PolarHBondContact NH2-OE1 3.07Å; R39-E110 IonicContact NH2-OE2 2.61Å; R39-E110 PolarHBondContact NH2-OE2 3.43Å; E110-D112 VanDerWaalsContact C-N 3.31Å; E110-D112 PolarHBondContact O-N 3.22Å; E110-R113 PolarHBondContact O-N 3.23Å; E110-R113 IonicContact OE1-NH1 3.5Å; E110-L114 PolarHBondContact O-N 3.15Å
111	P	65.9	Low	65.5	Low	80 Å²	80	95 Å²	95	52%	0.519	47%	0.471	S	S	.	.	H	α-helix	trans	-62	-36.4	175.2	-22.4	33.8	0	0	0	113.2	K109 R113 L114 H115	K109-P111 VanDerWaalsContact C-CD 3.42Å; P111-R113 VanDerWaalsContact C-N 3.34Å; P111-R113 PolarHBondContact O-N 3.39Å; P111-L114 PolarHBondContact O-N 3.36Å; P111-H115 PolarHBondContact O-CD2 3.46Å; P111-H115 PolarHBondContact O-N 2.81Å
112	D	75.4	Confident	68.4	Low	66 Å²	66	89.4 Å²	89.4	35%	0.353	44%	0.442	S	S	.	.	H	α-helix	trans	-69.9	-34.2	-177.7	-68.5	-41.7	0	0	0	111.8	K109 E110 H115 S116	K109-D112 WeakPolarHBondContact O-CB 3.39Å; K109-D112 PolarHBondContact O-N 3.14Å; E110-D112 VanDerWaalsContact C-N 3.31Å; E110-D112 PolarHBondContact O-N 3.22Å; D112-H115 PolarHBondContact O-N 2.97Å; D112-S116 WeakPolarHBondContact O-CB 3.46Å; D112-S116 PolarHBondContact O-N 2.9Å
113	R	81.4	Confident	71.3	Confident	101 Å²	101	91.5 Å²	91.5	38%	0.381	43%	0.434	S	S	.	.	H	α-helix	trans	-64.1	-41.6	173.2	-65.4	178.7	176.9	-177	-8.3	112.3	E108 K109 E110 P111 S116 L117	E108-R113 HydrophobicContact CB-CG 4.29Å; E108-R113 PolarHBondContact O-NE 2.89Å; K109-R113 PolarHBondContact O-N 3.5Å; E110-R113 PolarHBondContact O-N 3.23Å; E110-R113 IonicContact OE1-NH1 3.5Å; P111-R113 VanDerWaalsContact C-N 3.34Å; P111-R113 PolarHBondContact O-N 3.39Å; R113-S116 PolarHBondContact O-N 3.19Å; R113-L117 PolarHBondContact O-N 3.39Å
114	L	86.6	Confident	73.9	Confident	34 Å²	34	90.3 Å²	90.3	18%	0.178	43%	0.433	C	S	.	.	H	α-helix	trans	-64.5	-45.4	175.9	178	61.9	0	0	0	111.2	R39 L42 A43 E110 P111 S116 L117 M118	R39-L114 HydrophobicContact CG-CD1 3.86Å; L42-L114 HydrophobicContact CD2-CD2 4.24Å; A43-L114 HydrophobicContact CB-CD1 3.81Å; E110-L114 PolarHBondContact O-N 3.15Å; P111-L114 PolarHBondContact O-N 3.36Å; L114-S116 PolarHBondContact O-N 3.38Å; L114-L117 PolarHBondContact O-N 3.12Å; L114-M118 HydrophobicContact CD1-CG 4.47Å; L114-M118 HydrophobicContact CG-CE 4.09Å; L114-M118 HydrophobicContact CG-SD 4.49Å; L114-M118 WeakPolarHBondContact O-CG 3.48Å; L114-M118 PolarHBondContact O-N 3.43Å
115	H	87.9	Confident	76.9	Confident	50 Å²	50	86.5 Å²	86.5	23%	0.231	42%	0.415	C	S	.	.	H	α-helix	trans	-63.5	-38.7	176.4	-72.1	-61.2	0	0	0	112.9	K71 P111 D112 L117 M118 S119	K71-H115 PolarHBondContact NZ-CD2 2.89Å; K71-H115 VanDerWaalsContact NZ-CG 3.31Å; K71-H115 PolarHBondContact NZ-NE2 3.05Å; P111-H115 PolarHBondContact O-CD2 3.46Å; P111-H115 PolarHBondContact O-N 2.81Å; D112-H115 PolarHBondContact O-N 2.97Å; H115-L117 VanDerWaalsContact C-N 3.35Å; H115-M118 VanDerWaalsContact ND1-CE 3.28Å; H115-M118 WeakPolarHBondContact ND1-CE 3.36Å; H115-M118 PolarHBondContact O-N 3.08Å; H115-S119 WeakPolarHBondContact O-CB 3.36Å; H115-S119 PolarHBondContact O-N 3.45Å
116	S	88.3	Confident	79.6	Confident	32 Å²	32	82.8 Å²	82.8	22%	0.224	39%	0.388	C	S	.	.	H	α-helix	trans	-62.8	-39.3	174.2	178.3	0	0	0	0	112.2	D112 R113 L114 R120	D112-S116 WeakPolarHBondContact O-CB 3.46Å; D112-S116 PolarHBondContact O-N 2.9Å; R113-S116 PolarHBondContact O-N 3.19Å; L114-S116 PolarHBondContact O-N 3.38Å; S116-R120 WeakPolarHBondContact O-CG 3.4Å; S116-R120 PolarHBondContact O-N 3.04Å; S116-R120 PolarHBondContact O-NE 3.37Å
117	L	90.8	Very high	82.3	Confident	15 Å²	15	76.1 Å²	76.1	8%	0.079	36%	0.358	C	S	.	.	H	α-helix	trans	-65.4	-49.1	173.5	-178.7	60	0	0	0	111.9	R39 V40 A43 R113 L114 H115 S119 R120 L121	R39-L117 HydrophobicContact CG-CD2 4.49Å; V40-L117 HydrophobicContact CG2-CD2 4.13Å; A43-L117 HydrophobicContact CB-CD2 3.71Å; A43-L117 HydrophobicContact CB-CG 4.01Å; R113-L117 PolarHBondContact O-N 3.39Å; L114-L117 PolarHBondContact O-N 3.12Å; H115-L117 VanDerWaalsContact C-N 3.35Å; L117-S119 VanDerWaalsContact C-N 3.31Å; L117-S119 PolarHBondContact O-N 2.95Å; L117-R120 WeakPolarHBondContact O-CB 2.98Å; L117-R120 PolarHBondContact O-N 3.47Å; L117-R120 VanDerWaalsContact O-N 3.11Å; L117-L121 HydrophobicContact CG-CD1 4.46Å; L117-L121 WeakPolarHBondContact O-CG 3.34Å; L117-L121 PolarHBondContact O-N 3.43Å; L117-L121 VanDerWaalsContact O-N 3.17Å
118	M	93.9	Very high	84.8	Confident	9 Å²	9	69 Å²	69	4%	0.044	33%	0.326	C	S	.	.	H	α-helix	trans	-60.1	-41.2	178.3	-68.4	-173.9	-60.7	0	0	111.9	A43 L46 V47 I76 L114 H115 R120 L121 V122	A43-M118 HydrophobicContact CB-CG 3.83Å; L46-M118 HydrophobicContact CB-SD 3.87Å; L46-M118 HydrophobicContact CD1-SD 3.83Å; V47-M118 HydrophobicContact CG2-CB 3.89Å; V47-M118 HydrophobicContact CG2-CG 3.93Å; I76-M118 HydrophobicContact CD1-CB 4.41Å; I76-M118 HydrophobicContact CD1-SD 3.99Å; I76-M118 HydrophobicContact CG1-SD 4.45Å; I76-M118 HydrophobicContact CG2-CB 3.89Å; L114-M118 HydrophobicContact CD1-CG 4.47Å; L114-M118 HydrophobicContact CG-CE 4.09Å; L114-M118 HydrophobicContact CG-SD 4.49Å; L114-M118 WeakPolarHBondContact O-CG 3.48Å; L114-M118 PolarHBondContact O-N 3.43Å; H115-M118 VanDerWaalsContact ND1-CE 3.28Å; H115-M118 WeakPolarHBondContact ND1-CE 3.36Å; H115-M118 PolarHBondContact O-N 3.08Å; M118-R120 PolarHBondContact O-N 3.25Å; M118-L121 PolarHBondContact O-N 2.82Å; M118-L121 VanDerWaalsContact O-N 3.1Å; M118-V122 WeakPolarHBondContact O-CG2 3.44Å; M118-V122 PolarHBondContact O-N 3.14Å; M118-V122 VanDerWaalsContact O-N 3.13Å
119	S	93.4	Very high	87.1	Confident	9 Å²	9	63.4 Å²	63.4	6%	0.063	30%	0.3	C	S	.	.	H	α-helix	trans	-60.5	-32.1	176.1	178.6	0	0	0	0	113.2	E77 R79 H115 L117	E77-S119 WeakPolarHBondContact O-CA 3.49Å; E77-S119 WeakPolarHBondContact O-CB 3.39Å; E77-S119 PolarHBondContact O-OG 3.4Å; R79-S119 WeakPolarHBondContact CB-OG 3.44Å; R79-S119 PolarHBondContact N-OG 3.12Å; H115-S119 WeakPolarHBondContact O-CB 3.36Å; H115-S119 PolarHBondContact O-N 3.45Å; L117-S119 VanDerWaalsContact C-N 3.31Å; L117-S119 PolarHBondContact O-N 2.95Å
120	R	92.1	Very high	88.7	Confident	125 Å²	125	58.1 Å²	58.1	47%	0.472	28%	0.276	S	S	.	.	H	α-helix	trans	-72.8	-37.4	175	-74.1	177.5	-76.5	164	-5.4	111.6	S116 L117 M118 V122 R123	S116-R120 WeakPolarHBondContact O-CG 3.4Å; S116-R120 PolarHBondContact O-N 3.04Å; S116-R120 PolarHBondContact O-NE 3.37Å; L117-R120 WeakPolarHBondContact O-CB 2.98Å; L117-R120 PolarHBondContact O-N 3.47Å; L117-R120 VanDerWaalsContact O-N 3.11Å; M118-R120 PolarHBondContact O-N 3.25Å; R120-V122 VanDerWaalsContact C-N 3.35Å; R120-R123 WeakPolarHBondContact O-CB 3.32Å; R120-R123 PolarHBondContact O-N 3.4Å
121	L	94.1	Very high	90.4	Very high	66 Å²	66	53.7 Å²	53.7	35%	0.346	26%	0.255	S	S	.	.	H	α-helix	trans	-68.1	-31.8	179.7	-66.7	173.4	0	0	0	112.8	A43 K44 V47 L117 M118	A43-L121 HydrophobicContact CB-CD1 4.05Å; K44-L121 HydrophobicContact CG-CD1 4.14Å; V47-L121 HydrophobicContact CG1-CB 4.14Å; V47-L121 HydrophobicContact CG2-CB 4Å; V47-L121 HydrophobicContact CG2-CD1 4.07Å; L117-L121 HydrophobicContact CG-CD1 4.46Å; L117-L121 WeakPolarHBondContact O-CG 3.34Å; L117-L121 PolarHBondContact O-N 3.43Å; L117-L121 VanDerWaalsContact O-N 3.17Å; M118-L121 PolarHBondContact O-N 2.82Å; M118-L121 VanDerWaalsContact O-N 3.1Å
122	V	95.2	Very high	91.7	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	11.8	177.6	-59.7	0	0	0	0	114	V47 I56 I76 Q78 M118 R120 N124 E125	V47-V122 HydrophobicContact CB-CG1 4.42Å; V47-V122 HydrophobicContact CG1-CG1 3.6Å; V47-V122 HydrophobicContact CG2-CG1 4.08Å; I56-V122 HydrophobicContact CD1-CB 4.34Å; I56-V122 HydrophobicContact CD1-CG1 4.24Å; I56-V122 HydrophobicContact CG1-CG1 4.4Å; I56-V122 HydrophobicContact CG2-CG2 4.48Å; I76-V122 HydrophobicContact CG2-CG1 4.07Å; I76-V122 HydrophobicContact CG2-CG2 3.9Å; Q78-V122 HydrophobicContact CB-CG2 3.94Å; Q78-V122 VanDerWaalsContact CD-O 3.28Å; Q78-V122 HydrophobicContact CG-CG2 4.33Å; Q78-V122 PolarHBondContact NE2-O 3.48Å; M118-V122 WeakPolarHBondContact O-CG2 3.44Å; M118-V122 PolarHBondContact O-N 3.14Å; M118-V122 VanDerWaalsContact O-N 3.13Å; R120-V122 VanDerWaalsContact C-N 3.35Å; V122-N124 PolarHBondContact O-N 2.98Å; V122-N124 VanDerWaalsContact O-N 3.14Å; V122-E125 HydrophobicContact CB-CB 4.25Å; V122-E125 HydrophobicContact CB-CG 4.21Å; V122-E125 HydrophobicContact CG1-CG 4.5Å; V122-E125 WeakPolarHBondContact O-CB 3.28Å; V122-E125 PolarHBondContact O-N 3.47Å; V122-E125 VanDerWaalsContact O-N 3.09Å
123	R	92.2	Very high	92.3	Very high	147 Å²	147	50.2 Å²	50.2	56%	0.555	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-31.3	-172.2	-178.8	178.5	-76.8	179.6	-4.6	113.7	Q78 R120	Q78-R123 PolarHBondContact NE2-O 2.95Å; R120-R123 WeakPolarHBondContact O-CB 3.32Å; R120-R123 PolarHBondContact O-N 3.4Å
124	N	90.8	Very high	92.4	Very high	154 Å²	154	53.4 Å²	53.4	82%	0.824	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.3	6.7	-178	-61.7	-20.3	0	0	0	112.9	V122	V122-N124 PolarHBondContact O-N 2.98Å; V122-N124 VanDerWaalsContact O-N 3.14Å
125	E	94.4	Very high	92.3	Very high	78 Å²	78	56.8 Å²	56.8	36%	0.364	25%	0.254	S	S	.	.	S	Bend	trans	-88.1	159.1	179.7	-63.2	-62.9	150.7	0	0	111.1	I51 I56 Q78 V122	I51-E125 HydrophobicContact CD1-CG 3.84Å; I51-E125 HydrophobicContact CG1-CG 4.01Å; I56-E125 HydrophobicContact CD1-CB 3.44Å; I56-E125 VanDerWaalsContact CD1-CB 3.44Å; I56-E125 HydrophobicContact CD1-CG 4.13Å; Q78-E125 PolarHBondContact NE2-O 3.02Å; Q78-E125 PolarHBondContact OE1-O 2.79Å; V122-E125 HydrophobicContact CB-CB 4.25Å; V122-E125 HydrophobicContact CB-CG 4.21Å; V122-E125 HydrophobicContact CG1-CG 4.5Å; V122-E125 WeakPolarHBondContact O-CB 3.28Å; V122-E125 PolarHBondContact O-N 3.47Å; V122-E125 VanDerWaalsContact O-N 3.09Å
126	M	93	Very high	92	Very high	72 Å²	72	60.2 Å²	60.2	36%	0.355	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-71.2	132.4	174.9	179.9	-169	-96.3	0	0	110.8	Y128 Q144 Q147	M126-Y128 HydrophobicContact CB-CE2 4.19Å; M126-Y128 HydrophobicContact CG-CE2 4.36Å; M126-Y128 WeakPolarHBondContact O-CD2 3.42Å; M126-Y128 WeakPolarHBondContact O-CE2 3.25Å; M126-Y128 HydrophobicContact SD-CD1 4.21Å; M126-Y128 HydrophobicContact SD-CE1 3.59Å; M126-Y128 VanDerWaalsContact SD-CE1 3.59Å; M126-Y128 HydrophobicContact SD-CE2 4.37Å; M126-Q144 HydrophobicContact CE-CB 4.07Å; M126-Q144 HydrophobicContact CE-CG 3.58Å; M126-Q147 HydrophobicContact SD-CG 4.23Å
127	V	95.6	Very high	91.7	Very high	8 Å²	8	60.3 Å²	60.3	5%	0.048	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-79.7	129.1	168.1	178.7	0	0	0	0	110	I56 T58 Q78 F129 Y130 Q147	I56-V127 HydrophobicContact CG2-CG2 4.36Å; T58-V127 HydrophobicContact CG2-CG1 4.14Å; Q78-V127 HydrophobicContact CB-CG2 4.28Å; Q78-V127 HydrophobicContact CG-CG2 4.48Å; V127-F129 VanDerWaalsContact CG1-O 3.29Å; V127-F129 WeakPolarHBondContact CG1-O 3.37Å; V127-Y130 HydrophobicContact CB-CD1 4.48Å; V127-Y130 HydrophobicContact CB-CE1 3.74Å; V127-Y130 HydrophobicContact CB-CE2 4.04Å; V127-Y130 HydrophobicContact CG1-CD1 3.8Å; V127-Y130 HydrophobicContact CG1-CD2 4.12Å; V127-Y130 HydrophobicContact CG1-CE1 3.57Å; V127-Y130 HydrophobicContact CG1-CE2 3.87Å; V127-Y130 HydrophobicContact CG1-CG 4.11Å; V127-Y130 HydrophobicContact CG2-CE1 4.2Å; V127-Q147 WeakPolarHBondContact O-CG 3.36Å; V127-Q147 PolarHBondContact O-NE2 3.47Å
128	Y	97	Very high	91.3	Very high	44 Å²	44	60.8 Å²	60.8	17%	0.173	28%	0.28	C	S	.	.			trans	-101.3	-16.7	178.1	-69.1	-85.6	0	0	0	113.7	H54 I56 M126 I148	H54-Y128 HydrophobicContact CB-CD1 3.71Å; H54-Y128 HydrophobicContact CB-CD2 3.79Å; H54-Y128 HydrophobicContact CB-CE1 3.72Å; H54-Y128 HydrophobicContact CB-CE2 3.8Å; H54-Y128 HydrophobicContact CB-CG 3.74Å; H54-Y128 AromaticContact CE1-CZ 3.94Å; H54-Y128 PolarHBondContact CE1-OH 3.21Å; H54-Y128 AromaticContact CG-CE1 3.69Å; H54-Y128 AromaticContact CG-CZ 3.62Å; H54-Y128 AromaticContact ND1-CE1 3.54Å; H54-Y128 AromaticContact ND1-CE2 3.58Å; H54-Y128 AromaticContact ND1-CZ 3.05Å; H54-Y128 PolarHBondContact ND1-OH 3.09Å; H54-Y128 VanDerWaalsContact O-CB 3.24Å; H54-Y128 WeakPolarHBondContact O-CB 3.43Å; H54-Y128 WeakPolarHBondContact O-CD2 3.47Å; I56-Y128 HydrophobicContact CB-CD2 4.41Å; I56-Y128 PolarHBondContact O-N 2.94Å; M126-Y128 HydrophobicContact CB-CE2 4.19Å; M126-Y128 HydrophobicContact CG-CE2 4.36Å; M126-Y128 WeakPolarHBondContact O-CD2 3.42Å; M126-Y128 WeakPolarHBondContact O-CE2 3.25Å; M126-Y128 HydrophobicContact SD-CD1 4.21Å; M126-Y128 HydrophobicContact SD-CE1 3.59Å; M126-Y128 VanDerWaalsContact SD-CE1 3.59Å; M126-Y128 HydrophobicContact SD-CE2 4.37Å; Y128-I148 PolarHBondContact O-N 2.7Å
129	F	97.5	Very high	90.7	Very high	0 Å²	0	64 Å²	64	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	122.3	178.7	-172	-85.3	0	0	0	111.6	I56 F57 T58 L70 W75 V127 W131 I148 F505 L550 V553 L554	I56-F129 PolarHBondContact O-N 2.85Å; F57-F129 CarbonylContact C-O 3.54Å; F57-F129 WeakPolarHBondContact CA-O 3.06Å; F57-F129 HydrophobicContact CB-CB 3.93Å; F57-F129 HydrophobicContact CB-CD1 4.25Å; F57-F129 WeakPolarHBondContact CB-O 3.45Å; T58-F129 PolarHBondContact N-O 3.37Å; L70-F129 HydrophobicContact CD1-CD1 3.78Å; L70-F129 HydrophobicContact CD1-CE1 3.82Å; L70-F129 HydrophobicContact CD2-CD1 4.31Å; L70-F129 HydrophobicContact CD2-CE1 4.34Å; W75-F129 HydrophobicContact CE3-CB 4.08Å; W75-F129 HydrophobicContact CH2-CB 3.84Å; W75-F129 HydrophobicContact CZ3-CB 3.38Å; W75-F129 HydrophobicContact CZ3-CG 4.4Å; V127-F129 VanDerWaalsContact CG1-O 3.29Å; V127-F129 WeakPolarHBondContact CG1-O 3.37Å; F129-W131 HydrophobicContact CE1-CB 4.1Å; F129-W131 AromaticContact CE1-CE3 3.84Å; F129-W131 HydrophobicContact CE1-CE3 3.84Å; F129-W131 AromaticContact CZ-CE3 3.8Å; F129-W131 HydrophobicContact CZ-CE3 3.8Å; F129-W131 HydrophobicContact CZ-CZ3 4.3Å; F129-I148 WeakPolarHBondContact CA-O 3.34Å; F129-I148 HydrophobicContact CD2-CB 3.74Å; F129-I148 HydrophobicContact CD2-CD1 4.11Å; F129-I148 HydrophobicContact CD2-CG1 4.48Å; F129-I148 HydrophobicContact CD2-CG2 3.85Å; F129-I148 HydrophobicContact CE2-CB 4.32Å; F129-I148 HydrophobicContact CE2-CG2 3.9Å; F129-F505 AromaticContact CE2-CE1 3.99Å; F129-F505 HydrophobicContact CE2-CE1 3.99Å; F129-F505 HydrophobicContact CE2-CZ 4.2Å; F129-F505 HydrophobicContact CZ-CE1 4.23Å; F129-F505 AromaticContact CZ-CZ 3.97Å; F129-F505 HydrophobicContact CZ-CZ 3.97Å; F129-L550 HydrophobicContact CE1-CD2 4.07Å; F129-L550 HydrophobicContact CE2-CD2 4.2Å; F129-L550 HydrophobicContact CZ-CD2 3.47Å; F129-L550 VanDerWaalsContact CZ-CD2 3.47Å; F129-V553 HydrophobicContact CE2-CG2 4.13Å; F129-L554 HydrophobicContact CD2-CD1 4.48Å; F129-L554 HydrophobicContact CD2-CD2 3.82Å; F129-L554 HydrophobicContact CE2-CD1 4.28Å; F129-L554 HydrophobicContact CE2-CD2 3.88Å; F129-L554 HydrophobicContact CE2-CG 4.22Å
130	Y	96.5	Very high	90	Very high	30 Å²	30	64.3 Å²	64.3	12%	0.118	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	127.8	178.9	-64.7	-84.4	0	0	0	110.1	T58 V127 I138 L143 Q147 I148 I149 N150	T58-Y130 HydrophobicContact CG2-CD1 3.36Å; T58-Y130 HydrophobicContact CG2-CE1 3.76Å; T58-Y130 HydrophobicContact CG2-CG 4.43Å; V127-Y130 HydrophobicContact CB-CD1 4.48Å; V127-Y130 HydrophobicContact CB-CE1 3.74Å; V127-Y130 HydrophobicContact CB-CE2 4.04Å; V127-Y130 HydrophobicContact CG1-CD1 3.8Å; V127-Y130 HydrophobicContact CG1-CD2 4.12Å; V127-Y130 HydrophobicContact CG1-CE1 3.57Å; V127-Y130 HydrophobicContact CG1-CE2 3.87Å; V127-Y130 HydrophobicContact CG1-CG 4.11Å; V127-Y130 HydrophobicContact CG2-CE1 4.2Å; Y130-I138 HydrophobicContact CD1-CD1 3.09Å; Y130-I138 HydrophobicContact CE1-CD1 3.67Å; Y130-I138 HydrophobicContact CG-CD1 3.74Å; Y130-L143 HydrophobicContact CD2-CD2 4.24Å; Y130-L143 HydrophobicContact CE2-CD2 3.65Å; Y130-Q147 HydrophobicContact CE2-CB 4.22Å; Y130-Q147 HydrophobicContact CE2-CG 4.45Å; Y130-Q147 PolarHBondContact OH-NE2 3.39Å; Y130-Q147 VanDerWaalsContact OH-NE2 3.15Å; Y130-I148 PolarHBondContact N-O 3Å; Y130-I149 WeakPolarHBondContact O-CA 3.44Å; Y130-N150 PolarHBondContact O-N 2.66Å; Y130-N150 PolarHBondContact O-OD1 2.98Å
131	W	96.4	Very high	89.2	Confident	7 Å²	7	64.5 Å²	64.5	3%	0.027	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	114.1	168.4	-167	-74.8	0	0	0	110.3	T58 I59 Q60 Y63 I66 F129 N150 F505 T549 L550	T58-W131 PolarHBondContact O-N 3.47Å; T58-W131 VanDerWaalsContact O-N 3.07Å; I59-W131 CarbonylContact C-O 3.46Å; I59-W131 VanDerWaalsContact CA-O 3.28Å; I59-W131 WeakPolarHBondContact CA-O 3.48Å; I59-W131 HydrophobicContact CG1-CB 4.22Å; Q60-W131 PolarHBondContact N-O 3.31Å; Y63-W131 AromaticContact CD1-NE1 3.37Å; Y63-W131 AromaticContact CD2-CD1 3.47Å; Y63-W131 VanDerWaalsContact CD2-CD1 3.47Å; Y63-W131 AromaticContact CD2-NE1 3.62Å; Y63-W131 AromaticContact CE1-NE1 3.47Å; Y63-W131 AromaticContact CE2-CD1 3.78Å; Y63-W131 AromaticContact CE2-NE1 3.71Å; Y63-W131 AromaticContact CG-CD1 3.64Å; Y63-W131 AromaticContact CG-NE1 3.45Å; Y63-W131 AromaticContact CZ-NE1 3.66Å; I66-W131 HydrophobicContact CB-CD2 4.46Å; I66-W131 HydrophobicContact CD1-CD2 4.13Å; I66-W131 HydrophobicContact CD1-CE3 3.98Å; I66-W131 HydrophobicContact CD1-CH2 3.43Å; I66-W131 VanDerWaalsContact CD1-CH2 3.43Å; I66-W131 HydrophobicContact CD1-CZ2 3.6Å; I66-W131 HydrophobicContact CD1-CZ3 3.63Å; I66-W131 HydrophobicContact CG1-CD2 3.89Å; I66-W131 HydrophobicContact CG1-CE3 4.23Å; I66-W131 HydrophobicContact CG1-CG 4.42Å; I66-W131 HydrophobicContact CG1-CH2 4.11Å; I66-W131 HydrophobicContact CG1-CZ2 3.77Å; I66-W131 HydrophobicContact CG1-CZ3 4.32Å; I66-W131 HydrophobicContact CG2-CB 4.19Å; I66-W131 HydrophobicContact CG2-CD2 3.88Å; I66-W131 HydrophobicContact CG2-CE3 3.96Å; I66-W131 HydrophobicContact CG2-CG 3.99Å; F129-W131 HydrophobicContact CE1-CB 4.1Å; F129-W131 AromaticContact CE1-CE3 3.84Å; F129-W131 HydrophobicContact CE1-CE3 3.84Å; F129-W131 AromaticContact CZ-CE3 3.8Å; F129-W131 HydrophobicContact CZ-CE3 3.8Å; F129-W131 HydrophobicContact CZ-CZ3 4.3Å; W131-N150 WeakPolarHBondContact CA-OD1 3.45Å; W131-N150 HydrophobicContact CD2-CB 4.17Å; W131-N150 HydrophobicContact CE3-CB 3.99Å; W131-N150 HydrophobicContact CZ3-CB 4.36Å; W131-F505 HydrophobicContact CE3-CE2 4.44Å; W131-F505 HydrophobicContact CE3-CZ 4.08Å; W131-F505 HydrophobicContact CH2-CE2 4.4Å; W131-F505 AromaticContact CZ3-CE2 3.84Å; W131-F505 HydrophobicContact CZ3-CE2 3.84Å; W131-F505 AromaticContact CZ3-CZ 3.79Å; W131-F505 HydrophobicContact CZ3-CZ 3.79Å; W131-T549 HydrophobicContact CH2-CG2 3.92Å; W131-T549 HydrophobicContact CZ3-CG2 4.06Å; W131-L550 HydrophobicContact CE3-CD2 4.44Å; W131-L550 HydrophobicContact CZ3-CD2 4.13Å
132	T	93.9	Very high	88.7	Confident	1 Å²	1	67.6 Å²	67.6	1%	0.006	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	156.2	-178.1	71	0	0	0	0	111.4	Q60 R134 A137 I138 N150 H151	Q60-T132 HydrophobicContact CB-CG2 4.13Å; Q60-T132 CarbonylContact O-C 3.54Å; Q60-T132 WeakPolarHBondContact O-CA 3.46Å; T132-R134 WeakPolarHBondContact CB-O 3.48Å; T132-R134 PolarHBondContact OG1-O 3.35Å; T132-A137 HydrophobicContact CG2-CB 4.21Å; T132-I138 HydrophobicContact CG2-CD1 3.64Å; T132-I138 HydrophobicContact CG2-CG1 3.94Å; T132-N150 PolarHBondContact N-OD1 3.36Å; T132-N150 PolarHBondContact O-ND2 3.37Å; T132-H151 PolarHBondContact O-NE2 3.48Å; T132-H151 PolarHBondContact OG1-CD2 3.16Å; T132-H151 PolarHBondContact OG1-NE2 3.04Å; T132-H151 VanDerWaalsContact OG1-NE2 3.16Å
133	N	87.7	Confident	88.4	Confident	72 Å²	72	68.6 Å²	68.6	39%	0.385	34%	0.337	S	S	.	.	S	Bend	trans	-79.7	-22.3	172.4	-166	22.2	0	0	0	113.1	Q60 Y63	Q60-N133 PolarHBondContact O-N 3.14Å; Y63-N133 HydrophobicContact CE2-CB 3.88Å; Y63-N133 PolarHBondContact OH-OD1 3.5Å
134	R	83.9	Confident	88.3	Confident	168 Å²	168	66.9 Å²	66.9	63%	0.634	34%	0.335	S	S	*	.	S	Bend	trans	-132.1	142.3	-179.1	-52.1	-176.7	178.8	174.4	1.6	109.9	T132 D136 A137	T132-R134 WeakPolarHBondContact CB-O 3.48Å; T132-R134 PolarHBondContact OG1-O 3.35Å; R134-D136 WeakPolarHBondContact CB-OD1 3.41Å; R134-D136 PolarHBondContact O-N 2.83Å; R134-A137 HydrophobicContact CB-CB 4.49Å; R134-A137 WeakPolarHBondContact O-CB 3.46Å; R134-A137 PolarHBondContact O-N 3.41Å
135	R	83.4	Confident	88.2	Confident	105 Å²	105	67.5 Å²	67.5	40%	0.396	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-61.8	-39.2	178	174.6	-174.3	60.9	146.9	-7.6	113.4	A137 H151 F152 A153 K154	R135-A137 PolarHBondContact O-N 3.17Å; R135-H151 HydrophobicContact CB-CB 4.06Å; R135-H151 HydrophobicContact CG-CB 4.1Å; R135-F152 WeakPolarHBondContact CD-O 3.5Å; R135-F152 WeakPolarHBondContact CG-O 3.47Å; R135-A153 WeakPolarHBondContact CD-O 3.27Å; R135-A153 PolarHBondContact NH1-O 3.11Å; R135-A153 VanDerWaalsContact NH1-O 3.07Å; R135-K154 VanDerWaalsContact NH1-CA 3.34Å
136	D	82.9	Confident	88.1	Confident	123 Å²	123	68.5 Å²	68.5	66%	0.658	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-75.1	-3.5	-178.5	62	-35.5	0	0	0	113.5	R134 I138	R134-D136 WeakPolarHBondContact CB-OD1 3.41Å; R134-D136 PolarHBondContact O-N 2.83Å; D136-I138 VanDerWaalsContact C-N 3.29Å; D136-I138 PolarHBondContact O-N 3.08Å
137	A	82.2	Confident	88.2	Confident	34 Å²	34	65.6 Å²	65.6	28%	0.281	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-71.7	-27.1	-177	0	0	0	0	0	112.7	T132 R134 R135	T132-A137 HydrophobicContact CG2-CB 4.21Å; R134-A137 HydrophobicContact CB-CB 4.49Å; R134-A137 WeakPolarHBondContact O-CB 3.46Å; R134-A137 PolarHBondContact O-N 3.41Å; R135-A137 PolarHBondContact O-N 3.17Å
138	I	82.4	Confident	88.2	Confident	25 Å²	25	65.5 Å²	65.5	13%	0.128	32%	0.32	C	S	.	.	S	Bend	trans	-138.9	121.3	176.3	-60	-179.1	0	0	0	109	Y130 T132 D136 T140 L143 I149	Y130-I138 HydrophobicContact CD1-CD1 3.09Å; Y130-I138 HydrophobicContact CE1-CD1 3.67Å; Y130-I138 HydrophobicContact CG-CD1 3.74Å; T132-I138 HydrophobicContact CG2-CD1 3.64Å; T132-I138 HydrophobicContact CG2-CG1 3.94Å; D136-I138 VanDerWaalsContact C-N 3.29Å; D136-I138 PolarHBondContact O-N 3.08Å; I138-T140 PolarHBondContact O-N 3.43Å; I138-T140 VanDerWaalsContact O-N 3.16Å; I138-L143 HydrophobicContact CG2-CD1 4.33Å; I138-L143 HydrophobicContact CG2-CD2 4.03Å; I138-L143 HydrophobicContact CG2-CG 4.44Å; I138-I149 HydrophobicContact CB-CD1 3.94Å; I138-I149 HydrophobicContact CG2-CD1 4.09Å
139	S	79.6	Confident	88.1	Confident	76 Å²	76	63.4 Å²	63.4	53%	0.531	31%	0.312	S	S	.	.			trans	-67.8	110.9	176.8	-61	0	0	0	0	110.9	N141 N142	S139-N141 PolarHBondContact O-N 3.31Å; S139-N142 PolarHBondContact O-N 3.1Å
140	T	78.4	Confident	88	Confident	16 Å²	16	63.9 Å²	63.9	10%	0.098	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-61.4	-26.2	179.7	51.6	0	0	0	0	113.5	I138 N142 L143 I149 A153	I138-T140 PolarHBondContact O-N 3.43Å; I138-T140 VanDerWaalsContact O-N 3.16Å; T140-N142 PolarHBondContact O-N 3.12Å; T140-L143 PolarHBondContact O-N 3.25Å; T140-I149 HydrophobicContact CG2-CD1 4.34Å; T140-I149 HydrophobicContact CG2-CG2 4.25Å; T140-A153 VanDerWaalsContact OG1-CB 3.26Å; T140-A153 WeakPolarHBondContact OG1-CB 3.5Å
141	N	77.1	Confident	87.8	Confident	128 Å²	128	62.7 Å²	62.7	68%	0.684	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-67.1	-21.6	-178.6	-63.1	0	0	0	0	113	S139	S139-N141 PolarHBondContact O-N 3.31Å
142	N	82.6	Confident	87.5	Confident	132 Å²	132	62.4 Å²	62.4	71%	0.706	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-96.6	0.8	-178.6	-62.8	-9.9	0	0	0	112.3	S139 T140	S139-N142 PolarHBondContact O-N 3.1Å; T140-N142 PolarHBondContact O-N 3.12Å
143	L	88.9	Confident	87	Confident	21 Å²	21	63.8 Å²	63.8	11%	0.11	32%	0.32	C	S	.	.			trans	-87.9	129.2	-176.9	-62.3	-179	0	0	0	111.6	Y130 I138 T140 Q147 I149	Y130-L143 HydrophobicContact CD2-CD2 4.24Å; Y130-L143 HydrophobicContact CE2-CD2 3.65Å; I138-L143 HydrophobicContact CG2-CD1 4.33Å; I138-L143 HydrophobicContact CG2-CD2 4.03Å; I138-L143 HydrophobicContact CG2-CG 4.44Å; T140-L143 PolarHBondContact O-N 3.25Å; L143-Q147 VanDerWaalsContact CA-OE1 3.26Å; L143-Q147 HydrophobicContact CB-CB 4.39Å; L143-I149 HydrophobicContact CD1-CB 4.08Å; L143-I149 HydrophobicContact CD1-CD1 3.99Å; L143-I149 HydrophobicContact CD1-CG2 3.89Å
144	Q	90.6	Very high	86.6	Confident	110 Å²	110	65.5 Å²	65.5	51%	0.514	32%	0.324	S	S	.	.			trans	-61.3	153.1	170.8	-62.4	-61.6	-30.6	0	0	110.9	M126 E146 Q147 R501	M126-Q144 HydrophobicContact CE-CB 4.07Å; M126-Q144 HydrophobicContact CE-CG 3.58Å; Q144-E146 PolarHBondContact O-N 2.94Å; Q144-Q147 HydrophobicContact CB-CG 4.24Å; Q144-Q147 PolarHBondContact O-N 3.31Å; Q144-Q147 VanDerWaalsContact O-N 3.09Å; Q144-R501 PolarHBondContact O-NH2 3.12Å
145	K	89.3	Confident	85.7	Confident	167 Å²	167	58.4 Å²	58.4	73%	0.726	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-31.1	-170.7	-71.5	-179.6	-179.4	175.5	0	113.2	R501 N503	K145-R501 PolarHBondContact O-NH2 2.96Å; K145-N503 PolarHBondContact O-ND2 3.33Å
146	E	91	Very high	85.3	Confident	100 Å²	100	54 Å²	54	47%	0.467	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-20.6	-174.5	-55.9	69.3	-146	0	0	112.9	Q144	Q144-E146 PolarHBondContact O-N 2.94Å
147	Q	94.8	Very high	85.4	Confident	10 Å²	10	49.8 Å²	49.8	5%	0.047	27%	0.269	C	S	.	.			trans	-72.8	135.8	-177	-61.6	179.9	-69.7	0	0	110.9	M126 V127 Y130 L143 Q144 R501 N503	M126-Q147 HydrophobicContact SD-CG 4.23Å; V127-Q147 WeakPolarHBondContact O-CG 3.36Å; V127-Q147 PolarHBondContact O-NE2 3.47Å; Y130-Q147 HydrophobicContact CE2-CB 4.22Å; Y130-Q147 HydrophobicContact CE2-CG 4.45Å; Y130-Q147 PolarHBondContact OH-NE2 3.39Å; Y130-Q147 VanDerWaalsContact OH-NE2 3.15Å; L143-Q147 VanDerWaalsContact CA-OE1 3.26Å; L143-Q147 HydrophobicContact CB-CB 4.39Å; Q144-Q147 HydrophobicContact CB-CG 4.24Å; Q144-Q147 PolarHBondContact O-N 3.31Å; Q144-Q147 VanDerWaalsContact O-N 3.09Å; Q147-R501 PolarHBondContact O-NH1 3.07Å; Q147-R501 VanDerWaalsContact O-NH1 3.11Å; Q147-R501 PolarHBondContact O-NH2 2.88Å; Q147-N503 WeakPolarHBondContact O-CB 3.47Å
148	I	95.9	Very high	85.9	Confident	7 Å²	7	48.2 Å²	48.2	4%	0.036	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	135.7	-177.4	-48	176.8	0	0	0	109.3	Y128 F129 Y130 N503 F505 L554 R557	Y128-I148 PolarHBondContact O-N 2.7Å; F129-I148 WeakPolarHBondContact CA-O 3.34Å; F129-I148 HydrophobicContact CD2-CB 3.74Å; F129-I148 HydrophobicContact CD2-CD1 4.11Å; F129-I148 HydrophobicContact CD2-CG1 4.48Å; F129-I148 HydrophobicContact CD2-CG2 3.85Å; F129-I148 HydrophobicContact CE2-CB 4.32Å; F129-I148 HydrophobicContact CE2-CG2 3.9Å; Y130-I148 PolarHBondContact N-O 3Å; I148-N503 VanDerWaalsContact CA-O 3.26Å; I148-N503 WeakPolarHBondContact CA-O 3.33Å; I148-N503 HydrophobicContact CG1-CB 4.16Å; I148-F505 HydrophobicContact CG2-CD1 3.94Å; I148-F505 HydrophobicContact CG2-CE1 3.64Å; I148-L554 HydrophobicContact CD1-CD2 3.7Å; I148-R557 VanDerWaalsContact CD1-NH1 3.29Å
149	I	95.5	Very high	86.3	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	144.9	175.7	-171.6	164.8	0	0	0	112	Y130 I138 T140 L143 H151 N503 T504 F505	Y130-I149 WeakPolarHBondContact O-CA 3.44Å; I138-I149 HydrophobicContact CB-CD1 3.94Å; I138-I149 HydrophobicContact CG2-CD1 4.09Å; T140-I149 HydrophobicContact CG2-CD1 4.34Å; T140-I149 HydrophobicContact CG2-CG2 4.25Å; L143-I149 HydrophobicContact CD1-CB 4.08Å; L143-I149 HydrophobicContact CD1-CD1 3.99Å; L143-I149 HydrophobicContact CD1-CG2 3.89Å; I149-H151 VanDerWaalsContact C-N 3.31Å; I149-H151 PolarHBondContact O-N 3.36Å; I149-N503 PolarHBondContact N-O 3.25Å; I149-T504 HydrophobicContact CG2-CG2 3.97Å; I149-T504 WeakPolarHBondContact O-CA 2.94Å; I149-F505 PolarHBondContact O-N 3.37Å; I149-F505 VanDerWaalsContact O-N 3.14Å
150	N	95.3	Very high	86.8	Confident	10 Å²	10	47.1 Å²	47.1	5%	0.053	25%	0.247	C	C	.	.	S	Bend	trans	-85.9	18.5	-176	73.7	-47.5	0	0	0	115.6	Y130 W131 T132 F505	Y130-N150 PolarHBondContact O-N 2.66Å; Y130-N150 PolarHBondContact O-OD1 2.98Å; W131-N150 WeakPolarHBondContact CA-OD1 3.45Å; W131-N150 HydrophobicContact CD2-CB 4.17Å; W131-N150 HydrophobicContact CE3-CB 3.99Å; W131-N150 HydrophobicContact CZ3-CB 4.36Å; T132-N150 PolarHBondContact N-OD1 3.36Å; T132-N150 PolarHBondContact O-ND2 3.37Å; N150-F505 CarbonylContact C-O 3.58Å; N150-F505 VanDerWaalsContact CA-O 3.22Å; N150-F505 WeakPolarHBondContact CA-O 2.97Å; N150-F505 HydrophobicContact CB-CD2 4.2Å; N150-F505 HydrophobicContact CB-CE1 4.31Å; N150-F505 HydrophobicContact CB-CE2 3.45Å; N150-F505 VanDerWaalsContact CB-CE2 3.45Å; N150-F505 HydrophobicContact CB-CZ 3.52Å
151	H	92.8	Very high	87.3	Confident	5 Å²	5	47 Å²	47	2%	0.023	25%	0.246	C	C	.	.	S	Bend	trans	-142.6	136.8	175.3	-61.8	-77.3	0	0	0	112.1	T132 R135 I149 T504 F505 E506 S528	T132-H151 PolarHBondContact O-NE2 3.48Å; T132-H151 PolarHBondContact OG1-CD2 3.16Å; T132-H151 PolarHBondContact OG1-NE2 3.04Å; T132-H151 VanDerWaalsContact OG1-NE2 3.16Å; R135-H151 HydrophobicContact CB-CB 4.06Å; R135-H151 HydrophobicContact CG-CB 4.1Å; I149-H151 VanDerWaalsContact C-N 3.31Å; I149-H151 PolarHBondContact O-N 3.36Å; H151-T504 WeakPolarHBondContact O-CG2 3.41Å; H151-F505 PolarHBondContact N-O 3.2Å; H151-F505 VanDerWaalsContact N-O 3.12Å; H151-E506 IonicContact ND1-OE1 3.55Å; H151-S528 PolarHBondContact CE1-OG 2.91Å
152	F	89.6	Confident	87.8	Confident	1 Å²	1	41.8 Å²	41.8	0%	0.004	22%	0.22	C	C	.	.			trans	-71.8	153.4	166.2	-64.5	-73	0	0	0	111.2	R135 K154 V398 W401 T504 E506 Y508	R135-F152 WeakPolarHBondContact CD-O 3.5Å; R135-F152 WeakPolarHBondContact CG-O 3.47Å; F152-K154 PolarHBondContact O-N 3.15Å; F152-V398 HydrophobicContact CE2-CB 4.03Å; F152-V398 HydrophobicContact CE2-CG1 4.02Å; F152-V398 HydrophobicContact CZ-CB 4.41Å; F152-V398 HydrophobicContact CZ-CG1 4.02Å; F152-W401 AromaticContact CD1-CD1 3.7Å; F152-W401 AromaticContact CD1-NE1 3.65Å; F152-W401 AromaticContact CD2-NE1 3.45Å; F152-W401 AromaticContact CE1-CD1 3.35Å; F152-W401 AromaticContact CE1-NE1 3.47Å; F152-W401 AromaticContact CE2-CD1 3.99Å; F152-W401 AromaticContact CE2-NE1 3.24Å; F152-W401 AromaticContact CG-NE1 3.67Å; F152-W401 AromaticContact CZ-CD1 3.51Å; F152-W401 AromaticContact CZ-NE1 3.27Å; F152-W401 VanDerWaalsContact CZ-NE1 3.27Å; F152-T504 HydrophobicContact CB-CG2 4.36Å; F152-T504 HydrophobicContact CD1-CG2 3.43Å; F152-T504 VanDerWaalsContact CD1-CG2 3.43Å; F152-T504 HydrophobicContact CE1-CG2 3.75Å; F152-T504 WeakPolarHBondContact CE1-O 3.36Å; F152-T504 HydrophobicContact CG-CG2 3.95Å; F152-T504 WeakPolarHBondContact CZ-O 3.16Å; F152-E506 HydrophobicContact CD2-CB 3.46Å; F152-E506 VanDerWaalsContact CD2-CB 3.46Å; F152-E506 HydrophobicContact CD2-CG 4.5Å; F152-E506 WeakPolarHBondContact CD2-OE2 3.42Å; F152-E506 HydrophobicContact CE2-CB 3.56Å; F152-E506 PolarHBondContact N-OE2 3.48Å; F152-Y508 WeakPolarHBondContact CD2-OH 3.44Å
153	A	83.2	Confident	88.2	Confident	29 Å²	29	36 Å²	36	24%	0.24	19%	0.191	C	C	.	.	S	Bend	trans	-56.1	-36.1	-179.8	0	0	0	0	0	112.1	R135 T140	R135-A153 WeakPolarHBondContact CD-O 3.27Å; R135-A153 PolarHBondContact NH1-O 3.11Å; R135-A153 VanDerWaalsContact NH1-O 3.07Å; T140-A153 VanDerWaalsContact OG1-CB 3.26Å; T140-A153 WeakPolarHBondContact OG1-CB 3.5Å
154	K	78.7	Confident	88.4	Confident	108 Å²	108	35 Å²	35	47%	0.47	19%	0.186	S	C	.	.	S	Bend	trans	-113.3	130.4	173.7	-65.7	-179.5	-174.1	171.1	0	108.9	R135 F152 G156	R135-K154 VanDerWaalsContact NH1-CA 3.34Å; F152-K154 PolarHBondContact O-N 3.15Å; K154-G156 PolarHBondContact O-N 2.66Å
155	A	66.4	Low	88.5	Confident	20 Å²	20	29.9 Å²	29.9	17%	0.165	16%	0.162	C	C	.	.			trans	-60.8	-10.3	174.8	0	0	0	0	0	113.1	T159 A527	A155-T159 WeakPolarHBondContact O-CG2 3.16Å; A155-T159 PolarHBondContact O-OG1 3.08Å; A155-A527 HydrophobicContact CB-CB 4.49Å
156	G	74.2	Confident	88.5	Confident	11 Å²	11	24.4 Å²	24.4	11%	0.113	14%	0.143	C	C	.	.			trans	81.2	140.4	-175.8	0	0	0	0	0	111.6	K154 F158 T159	K154-G156 PolarHBondContact O-N 2.66Å; G156-F158 PolarHBondContact O-N 3.46Å; G156-T159 PolarHBondContact O-N 3.42Å; G156-T159 PolarHBondContact O-OG1 3.23Å; G156-T159 VanDerWaalsContact O-OG1 3.09Å
157	S	85.8	Confident	88.7	Confident	36 Å²	36	20.1 Å²	20.1	25%	0.252	12%	0.123	S	C	.	.	G	3₁₀ helix	trans	-61.6	-29.6	176.5	53.6	0	0	0	0	111.9	T159 T160 G163 L164 N167 L497	S157-T159 PolarHBondContact O-N 3.07Å; S157-T160 PolarHBondContact O-N 2.79Å; S157-T160 VanDerWaalsContact O-N 3.1Å; S157-T160 PolarHBondContact O-OG1 2.95Å; S157-G163 CarbonylContact O-C 3.35Å; S157-G163 WeakPolarHBondContact O-CA 3.39Å; S157-L164 PolarHBondContact O-N 3.19Å; S157-N167 PolarHBondContact OG-ND2 2.97Å; S157-N167 PolarHBondContact OG-OD1 3.08Å; S157-L497 WeakPolarHBondContact OG-CD1 3.43Å
158	F	91.1	Very high	88.7	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-66	-13.3	-179.4	69.2	-83.6	0	0	0	115	G156 T160 L164 W401 L491 A494 I498 Y508 I525	G156-F158 PolarHBondContact O-N 3.46Å; F158-T160 VanDerWaalsContact C-N 3.34Å; F158-L164 HydrophobicContact CB-CD1 4.13Å; F158-W401 AromaticContact CE1-CH2 3.67Å; F158-W401 HydrophobicContact CE1-CH2 3.67Å; F158-W401 AromaticContact CE1-CZ2 3.94Å; F158-W401 HydrophobicContact CE1-CZ2 3.94Å; F158-W401 AromaticContact CZ-CH2 3.84Å; F158-W401 HydrophobicContact CZ-CH2 3.84Å; F158-W401 AromaticContact CZ-CZ2 3.93Å; F158-W401 HydrophobicContact CZ-CZ2 3.93Å; F158-L491 HydrophobicContact CD2-CD2 4.18Å; F158-L491 HydrophobicContact CE1-CD2 4.36Å; F158-L491 HydrophobicContact CE2-CD2 3.61Å; F158-L491 HydrophobicContact CZ-CD2 3.71Å; F158-A494 HydrophobicContact CB-CB 4.11Å; F158-A494 HydrophobicContact CD1-CB 3.32Å; F158-A494 HydrophobicContact CE1-CB 4.05Å; F158-A494 HydrophobicContact CG-CB 4Å; F158-I498 HydrophobicContact CD1-CD1 4.19Å; F158-I498 HydrophobicContact CE1-CD1 3.53Å; F158-Y508 HydrophobicContact CE2-CD1 4.18Å; F158-Y508 AromaticContact CE2-CE1 4Å; F158-Y508 HydrophobicContact CE2-CE1 4Å; F158-Y508 HydrophobicContact CZ-CD1 4.49Å; F158-Y508 AromaticContact CZ-CE1 3.86Å; F158-Y508 HydrophobicContact CZ-CE1 3.86Å; F158-Y508 HydrophobicContact CZ-CE2 4.23Å; F158-Y508 AromaticContact CZ-CZ 3.7Å; F158-I525 HydrophobicContact CD2-CB 4.37Å; F158-I525 HydrophobicContact CD2-CD1 3.98Å; F158-I525 HydrophobicContact CD2-CG2 4Å; F158-I525 HydrophobicContact CE2-CG2 4.03Å
159	T	91.4	Very high	88.5	Confident	28 Å²	28	23.4 Å²	23.4	17%	0.172	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-90	-2.5	174.7	68.6	0	0	0	0	113.3	A155 G156 S157 Y508 I525 A527	A155-T159 WeakPolarHBondContact O-CG2 3.16Å; A155-T159 PolarHBondContact O-OG1 3.08Å; G156-T159 PolarHBondContact O-N 3.42Å; G156-T159 PolarHBondContact O-OG1 3.23Å; G156-T159 VanDerWaalsContact O-OG1 3.09Å; S157-T159 PolarHBondContact O-N 3.07Å; T159-Y508 HydrophobicContact CG2-CD1 3.95Å; T159-Y508 HydrophobicContact CG2-CE1 3.73Å; T159-I525 CarbonylContact C-O 3.51Å; T159-I525 VanDerWaalsContact CA-O 3.24Å; T159-I525 WeakPolarHBondContact CA-O 3.47Å; T159-I525 HydrophobicContact CG2-CG2 4.25Å; T159-A527 HydrophobicContact CG2-CB 4.05Å
160	T	89.9	Confident	88.3	Confident	51 Å²	51	25.8 Å²	25.8	31%	0.313	15%	0.147	S	C	.	.	S	Bend	trans	-104.5	148.1	170.2	69.1	0	0	0	0	109	S157 F158 A162 G163 L164	S157-T160 PolarHBondContact O-N 2.79Å; S157-T160 VanDerWaalsContact O-N 3.1Å; S157-T160 PolarHBondContact O-OG1 2.95Å; F158-T160 VanDerWaalsContact C-N 3.34Å; T160-A162 VanDerWaalsContact C-N 3.29Å; T160-A162 PolarHBondContact O-N 2.9Å; T160-G163 PolarHBondContact O-N 2.77Å; T160-G163 WeakPolarHBondContact OG1-CA 3.41Å; T160-G163 PolarHBondContact OG1-N 2.69Å; T160-L164 VanDerWaalsContact O-CB 3.28Å; T160-L164 WeakPolarHBondContact O-CB 3.35Å; T160-L164 PolarHBondContact O-N 3.22Å
161	K	88.8	Confident	88.3	Confident	14 Å²	14	25.3 Å²	25.3	6%	0.061	15%	0.145	C	C	.	.	H	α-helix	trans	-65.9	-37.4	-179.4	-169.1	69.8	-178.7	78.5	0	111.7	C165 C186 K338 G340 V374 Q376 I523	K161-C165 VanDerWaalsContact O-CB 3.23Å; K161-C165 WeakPolarHBondContact O-CB 3.45Å; K161-C165 PolarHBondContact O-N 3.08Å; K161-C165 VanDerWaalsContact O-N 3.1Å; K161-C186 PolarHBondContact NZ-SG 3.09Å; K161-K338 HydrophobicContact CD-CD 4.39Å; K161-K338 HydrophobicContact CG-CD 4.34Å; K161-G340 PolarHBondContact N-O 3.01Å; K161-G340 VanDerWaalsContact N-O 3.15Å; K161-V374 HydrophobicContact CB-CG2 4.04Å; K161-V374 HydrophobicContact CG-CG2 3.37Å; K161-Q376 VanDerWaalsContact NZ-CD 3.29Å; K161-I523 WeakPolarHBondContact CD-O 3.13Å; K161-I523 WeakPolarHBondContact CE-O 3.43Å
162	A	88.4	Confident	88.3	Confident	17 Å²	17	30.8 Å²	30.8	14%	0.14	17%	0.17	C	C	.	.	H	α-helix	trans	-67.6	-46.2	176.5	0	0	0	0	0	112	T160 C165 V166 V374	T160-A162 VanDerWaalsContact C-N 3.29Å; T160-A162 PolarHBondContact O-N 2.9Å; A162-C165 WeakPolarHBondContact O-CB 3.44Å; A162-C165 PolarHBondContact O-N 3.41Å; A162-V166 WeakPolarHBondContact O-CG2 3.4Å; A162-V166 PolarHBondContact O-N 3.04Å; A162-V374 HydrophobicContact CB-CG1 3.95Å
163	G	90.6	Very high	88.4	Confident	10 Å²	10	39 Å²	39	10%	0.103	20%	0.201	C	C	.	.	H	α-helix	trans	-68.6	-41.2	179.1	0	0	0	0	0	112.7	S157 T160 C165 V166 N167	S157-G163 CarbonylContact O-C 3.35Å; S157-G163 WeakPolarHBondContact O-CA 3.39Å; T160-G163 PolarHBondContact O-N 2.77Å; T160-G163 WeakPolarHBondContact OG1-CA 3.41Å; T160-G163 PolarHBondContact OG1-N 2.69Å; G163-C165 VanDerWaalsContact C-N 3.3Å; G163-C165 PolarHBondContact O-N 2.85Å; G163-V166 PolarHBondContact O-N 3.23Å; G163-N167 VanDerWaalsContact O-CB 3.3Å; G163-N167 WeakPolarHBondContact O-CB 3.38Å; G163-N167 PolarHBondContact O-N 3.31Å; G163-N167 PolarHBondContact O-OD1 3.17Å; G163-N167 VanDerWaalsContact O-OD1 3.08Å
164	L	93.1	Very high	88.7	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-59.2	-42.5	173.2	-175.2	60.9	0	0	0	111.9	S157 F158 T160 N167 L168 F183 A490 L522 I525	S157-L164 PolarHBondContact O-N 3.19Å; F158-L164 HydrophobicContact CB-CD1 4.13Å; T160-L164 VanDerWaalsContact O-CB 3.28Å; T160-L164 WeakPolarHBondContact O-CB 3.35Å; T160-L164 PolarHBondContact O-N 3.22Å; L164-N167 PolarHBondContact O-N 3.25Å; L164-L168 HydrophobicContact CD1-CD1 3.81Å; L164-L168 HydrophobicContact CD1-CG 4.01Å; L164-L168 HydrophobicContact CG-CD1 3.98Å; L164-L168 HydrophobicContact CG-CG 4.48Å; L164-L168 WeakPolarHBondContact O-CB 3.34Å; L164-L168 WeakPolarHBondContact O-CG 3.47Å; L164-L168 PolarHBondContact O-N 2.97Å; L164-F183 HydrophobicContact CD2-CE2 3.75Å; L164-F183 HydrophobicContact CD2-CZ 4.37Å; L164-F183 HydrophobicContact CG-CE2 3.99Å; L164-F183 HydrophobicContact CG-CZ 4.21Å; L164-A490 HydrophobicContact CD1-CB 3.92Å; L164-L522 HydrophobicContact CD1-CD2 4.41Å; L164-L522 HydrophobicContact CD2-CD2 4.17Å; L164-L522 HydrophobicContact CD2-CG 4.46Å; L164-I525 HydrophobicContact CD1-CD1 4.44Å
165	C	92.3	Very high	89.4	Confident	2 Å²	2	37.3 Å²	37.3	1%	0.014	19%	0.191	C	C	.	.	H	α-helix	trans	-58.6	-47.2	175.5	179.4	0	0	0	0	112.2	K161 A162 G163 R169 C186	K161-C165 VanDerWaalsContact O-CB 3.23Å; K161-C165 WeakPolarHBondContact O-CB 3.45Å; K161-C165 PolarHBondContact O-N 3.08Å; K161-C165 VanDerWaalsContact O-N 3.1Å; A162-C165 WeakPolarHBondContact O-CB 3.44Å; A162-C165 PolarHBondContact O-N 3.41Å; G163-C165 VanDerWaalsContact C-N 3.3Å; G163-C165 PolarHBondContact O-N 2.85Å; C165-R169 PolarHBondContact SG-NH2 3.44Å; C165-R169 VanDerWaalsContact SG-NH2 3.44Å; C165-C186 HydrophobicContact CB-CB 4.26Å; C165-C186 VanDerWaalsContact SG-C 3.51Å; C165-C186 VanDerWaalsContact SG-CB 3.55Å; C165-C186 PolarHBondContact SG-O 3.18Å
166	V	90.8	Very high	90.7	Very high	53 Å²	53	43.3 Å²	43.3	32%	0.321	23%	0.225	S	C	.	.	H	α-helix	trans	-69.2	-44.3	-179.4	172.3	0	0	0	0	110.9	A162 G163 L168 R169	A162-V166 WeakPolarHBondContact O-CG2 3.4Å; A162-V166 PolarHBondContact O-N 3.04Å; G163-V166 PolarHBondContact O-N 3.23Å; V166-L168 PolarHBondContact O-N 2.87Å; V166-R169 PolarHBondContact O-N 3.07Å
167	N	93.4	Very high	91.7	Very high	9 Å²	9	44.1 Å²	44.1	5%	0.048	23%	0.231	C	C	.	.	H	α-helix	trans	-59.4	-48.4	-179.6	-72.8	12	0	0	0	111.9	S157 G163 L164 R169 N170 T493	S157-N167 PolarHBondContact OG-ND2 2.97Å; S157-N167 PolarHBondContact OG-OD1 3.08Å; G163-N167 VanDerWaalsContact O-CB 3.3Å; G163-N167 WeakPolarHBondContact O-CB 3.38Å; G163-N167 PolarHBondContact O-N 3.31Å; G163-N167 PolarHBondContact O-OD1 3.17Å; G163-N167 VanDerWaalsContact O-OD1 3.08Å; L164-N167 PolarHBondContact O-N 3.25Å; N167-R169 VanDerWaalsContact C-N 3.32Å; N167-R169 PolarHBondContact O-N 3.49Å; N167-N170 WeakPolarHBondContact O-CB 3.42Å; N167-N170 PolarHBondContact O-N 2.92Å; N167-T493 WeakPolarHBondContact O-CB 3.34Å; N167-T493 WeakPolarHBondContact O-CG2 3.48Å
168	L	95.3	Very high	92.1	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-68.5	-25.8	-175	-73.3	176.7	0	0	0	113.8	L164 V166 N170 L171 P179 F182 F183 A490	L164-L168 HydrophobicContact CD1-CD1 3.81Å; L164-L168 HydrophobicContact CD1-CG 4.01Å; L164-L168 HydrophobicContact CG-CD1 3.98Å; L164-L168 HydrophobicContact CG-CG 4.48Å; L164-L168 WeakPolarHBondContact O-CB 3.34Å; L164-L168 WeakPolarHBondContact O-CG 3.47Å; L164-L168 PolarHBondContact O-N 2.97Å; V166-L168 PolarHBondContact O-N 2.87Å; L168-N170 PolarHBondContact O-N 2.78Å; L168-L171 WeakPolarHBondContact O-CB 3.45Å; L168-L171 PolarHBondContact O-N 3.23Å; L168-L171 VanDerWaalsContact O-N 3.07Å; L168-P179 HydrophobicContact CB-CB 4.26Å; L168-P179 WeakPolarHBondContact O-CB 3.28Å; L168-P179 WeakPolarHBondContact O-CG 3.43Å; L168-F182 HydrophobicContact CD1-CE2 4.37Å; L168-F182 HydrophobicContact CD2-CE2 4.08Å; L168-F182 HydrophobicContact CD2-CZ 4.01Å; L168-F183 HydrophobicContact CD1-CB 3.76Å; L168-F183 HydrophobicContact CD1-CD1 3.74Å; L168-F183 HydrophobicContact CD1-CD2 3.61Å; L168-F183 HydrophobicContact CD1-CE1 4.1Å; L168-F183 HydrophobicContact CD1-CE2 4.01Å; L168-F183 HydrophobicContact CD1-CG 3.44Å; L168-F183 VanDerWaalsContact CD1-CG 3.44Å; L168-F183 HydrophobicContact CD1-CZ 4.19Å; L168-A490 HydrophobicContact CD2-CB 4.4Å
169	R	91.6	Very high	92.4	Very high	85 Å²	85	46.9 Å²	46.9	32%	0.321	25%	0.245	S	C	.	.	H	α-helix	trans	-63.7	-29.2	171.4	-70	-173.3	-163.2	137.1	-6.8	112.7	C165 V166 N167 L171 H172 C186 E194	C165-R169 PolarHBondContact SG-NH2 3.44Å; C165-R169 VanDerWaalsContact SG-NH2 3.44Å; V166-R169 PolarHBondContact O-N 3.07Å; N167-R169 VanDerWaalsContact C-N 3.32Å; N167-R169 PolarHBondContact O-N 3.49Å; R169-L171 VanDerWaalsContact C-N 3.25Å; R169-L171 PolarHBondContact O-N 3.42Å; R169-H172 PolarHBondContact O-CE1 3.29Å; R169-H172 PolarHBondContact O-ND1 3.43Å; R169-C186 PolarHBondContact NH2-O 3.04Å; R169-E194 IonicContact CZ-OE1 3.51Å; R169-E194 IonicContact CZ-OE2 3.97Å; R169-E194 IonicContact NH1-OE1 3.62Å; R169-E194 PolarHBondContact NH1-OE1 3.32Å; R169-E194 IonicContact NH1-OE2 3.07Å; R169-E194 PolarHBondContact NH1-OE2 2.88Å; R169-E194 IonicContact NH2-OE1 3.45Å; R169-E194 IonicContact NH2-OE2 3.45Å; R169-E194 PolarHBondContact NH2-OE2 3.36Å
170	N	92	Very high	92.6	Very high	49 Å²	49	48.6 Å²	48.6	26%	0.262	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-88	9.8	177.3	-62.1	-26.3	0	0	0	112.4	N167 L168 H172 W173 F174	N167-N170 WeakPolarHBondContact O-CB 3.42Å; N167-N170 PolarHBondContact O-N 2.92Å; L168-N170 PolarHBondContact O-N 2.78Å; N170-H172 PolarHBondContact O-N 2.88Å; N170-H172 VanDerWaalsContact O-N 3.15Å; N170-W173 HydrophobicContact CB-CD2 4.24Å; N170-W173 HydrophobicContact CB-CE3 3.66Å; N170-W173 HydrophobicContact CB-CH2 4.42Å; N170-W173 HydrophobicContact CB-CZ3 3.76Å; N170-W173 PolarHBondContact O-N 3.14Å; N170-F174 VanDerWaalsContact O-CD2 3.28Å; N170-F174 WeakPolarHBondContact O-CD2 3.46Å; N170-F174 WeakPolarHBondContact O-CE2 3.41Å
171	L	94.7	Very high	92.9	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-55.2	-34.2	-179.9	-179.7	59.5	0	0	0	112.7	L168 R169 W173 F174 D175 A177 P179 F182 H489 T493	L168-L171 WeakPolarHBondContact O-CB 3.45Å; L168-L171 PolarHBondContact O-N 3.23Å; L168-L171 VanDerWaalsContact O-N 3.07Å; R169-L171 VanDerWaalsContact C-N 3.25Å; R169-L171 PolarHBondContact O-N 3.42Å; L171-W173 PolarHBondContact O-N 3.37Å; L171-F174 PolarHBondContact O-N 3.06Å; L171-D175 HydrophobicContact CD1-CB 3.85Å; L171-D175 HydrophobicContact CG-CB 4.26Å; L171-D175 PolarHBondContact O-N 3.45Å; L171-A177 HydrophobicContact CD2-CB 4.28Å; L171-A177 WeakPolarHBondContact CD2-O 3.42Å; L171-P179 HydrophobicContact CD2-CB 4.24Å; L171-F182 HydrophobicContact CD2-CE1 3.76Å; L171-F182 HydrophobicContact CD2-CZ 3.72Å; L171-H489 HydrophobicContact CD1-CB 3.74Å; L171-H489 HydrophobicContact CD2-CB 4.05Å; L171-T493 HydrophobicContact CB-CG2 4.06Å; L171-T493 HydrophobicContact CD1-CG2 3.79Å
172	H	92.6	Very high	93.4	Very high	120 Å²	120	47.9 Å²	47.9	56%	0.556	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-59.4	-17.6	178.8	68.5	-85.2	0	0	0	114.6	R169 N170 F174 D175	R169-H172 PolarHBondContact O-CE1 3.29Å; R169-H172 PolarHBondContact O-ND1 3.43Å; N170-H172 PolarHBondContact O-N 2.88Å; N170-H172 VanDerWaalsContact O-N 3.15Å; H172-F174 VanDerWaalsContact C-N 3.34Å; H172-D175 WeakPolarHBondContact CA-O 3.34Å
173	W	91.6	Very high	93.8	Very high	173 Å²	173	47.4 Å²	47.4	66%	0.655	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-78.7	-17.7	171.5	-65	-22.4	0	0	0	113.6	N170 L171	N170-W173 HydrophobicContact CB-CD2 4.24Å; N170-W173 HydrophobicContact CB-CE3 3.66Å; N170-W173 HydrophobicContact CB-CH2 4.42Å; N170-W173 HydrophobicContact CB-CZ3 3.76Å; N170-W173 PolarHBondContact O-N 3.14Å; L171-W173 PolarHBondContact O-N 3.37Å
174	F	90.6	Very high	94.2	Very high	57 Å²	57	47 Å²	47	25%	0.25	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.1	-24.8	-172.7	-51.4	-83.7	0	0	0	113.2	N170 L171 H172 K492 T493	N170-F174 VanDerWaalsContact O-CD2 3.28Å; N170-F174 WeakPolarHBondContact O-CD2 3.46Å; N170-F174 WeakPolarHBondContact O-CE2 3.41Å; L171-F174 PolarHBondContact O-N 3.06Å; H172-F174 VanDerWaalsContact C-N 3.34Å; F174-K492 HydrophobicContact CB-CB 4.21Å; F174-K492 WeakPolarHBondContact O-CE 3.27Å; F174-K492 PolarHBondContact O-NZ 3.04Å; F174-T493 HydrophobicContact CD2-CG2 3.69Å; F174-T493 HydrophobicContact CE2-CG2 4.06Å
175	D	92.6	Very high	94.4	Very high	45 Å²	45	47.8 Å²	47.8	24%	0.241	24%	0.244	C	C	.	.			trans	-153.1	159.6	-175.8	-149.8	-77.2	0	0	0	111.6	L171 H172 A177 H489 K492	L171-D175 HydrophobicContact CD1-CB 3.85Å; L171-D175 HydrophobicContact CG-CB 4.26Å; L171-D175 PolarHBondContact O-N 3.45Å; H172-D175 WeakPolarHBondContact CA-O 3.34Å; D175-A177 PolarHBondContact OD1-N 3.27Å; D175-H489 IonicContact OD1-NE2 3.87Å; D175-H489 IonicContact OD2-CD2 3Å; D175-H489 IonicContact OD2-NE2 3.37Å; D175-K492 IonicContact OD2-NZ 2.92Å; D175-K492 PolarHBondContact OD2-NZ 3.08Å
176	T	93.6	Very high	94.5	Very high	146 Å²	146	48 Å²	48	90%	0.896	25%	0.245	S	C	*	.	S	Bend	trans	-86	-11.3	174.8	52.2	0	0	0	0	113.1
177	A	95.2	Very high	94.7	Very high	28 Å²	28	47.1 Å²	47.1	23%	0.231	24%	0.236	C	C	.	.	S	Bend	trans	-61.1	140.9	177.7	0	0	0	0	0	112.3	L171 D175 H489	L171-A177 HydrophobicContact CD2-CB 4.28Å; L171-A177 WeakPolarHBondContact CD2-O 3.42Å; D175-A177 PolarHBondContact OD1-N 3.27Å; A177-H489 WeakPolarHBondContact CB-CE1 3.35Å
178	D	95.3	Very high	94.5	Very high	69 Å²	69	49.4 Å²	49.4	37%	0.369	25%	0.246	S	C	.	.			trans	-80	120.9	174.1	179.3	6.4	0	0	0	110.1	D180 S181 F182 P324	D178-D180 PolarHBondContact O-N 2.96Å; D178-D180 WeakPolarHBondContact OD1-CB 3.43Å; D178-D180 PolarHBondContact OD1-N 2.64Å; D178-S181 PolarHBondContact O-N 2.79Å; D178-S181 PolarHBondContact O-OG 3.01Å; D178-S181 VanDerWaalsContact O-OG 3.09Å; D178-F182 WeakPolarHBondContact O-CD1 3.37Å; D178-F182 WeakPolarHBondContact O-CE1 3.29Å; D178-P324 WeakPolarHBondContact OD2-CG 3.32Å
179	P	96.8	Very high	94	Very high	26 Å²	26	49.7 Å²	49.7	17%	0.169	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-58.5	-30.2	175	25.7	-35.4	0	0	0	113	L168 L171 S181 F182 F183	L168-P179 HydrophobicContact CB-CB 4.26Å; L168-P179 WeakPolarHBondContact O-CB 3.28Å; L168-P179 WeakPolarHBondContact O-CG 3.43Å; L171-P179 HydrophobicContact CD2-CB 4.24Å; P179-S181 PolarHBondContact O-N 3.45Å; P179-F182 PolarHBondContact O-N 3.18Å; P179-F183 WeakPolarHBondContact O-CB 3.45Å; P179-F183 PolarHBondContact O-N 2.89Å
180	D	96.3	Very high	93.4	Very high	64 Å²	64	48.3 Å²	48.3	34%	0.342	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-73	-7.9	-178.1	-79.5	-24.1	0	0	0	113.3	D178 Q325 W521	D178-D180 PolarHBondContact O-N 2.96Å; D178-D180 WeakPolarHBondContact OD1-CB 3.43Å; D178-D180 PolarHBondContact OD1-N 2.64Å; D180-Q325 WeakPolarHBondContact O-CG 3.48Å; D180-Q325 PolarHBondContact O-NE2 2.78Å; D180-Q325 PolarHBondContact OD1-NE2 2.8Å; D180-W521 WeakPolarHBondContact O-CH2 3.48Å; D180-W521 WeakPolarHBondContact O-CZ3 3.26Å
181	S	96.6	Very high	93	Very high	41 Å²	41	47.3 Å²	47.3	29%	0.287	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-85.8	-8.2	176.2	86.2	0	0	0	0	114.4	D178 P179 Q519	D178-S181 PolarHBondContact O-N 2.79Å; D178-S181 PolarHBondContact O-OG 3.01Å; D178-S181 VanDerWaalsContact O-OG 3.09Å; P179-S181 PolarHBondContact O-N 3.45Å; S181-Q519 PolarHBondContact O-NE2 3.26Å
182	F	97.8	Very high	92.6	Very high	9 Å²	9	52.8 Å²	52.8	4%	0.039	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-147.2	-5.5	-177.9	69.3	-91.5	0	0	0	114.4	L168 L171 D178 P179 A486 H489 W521 L522	L168-F182 HydrophobicContact CD1-CE2 4.37Å; L168-F182 HydrophobicContact CD2-CE2 4.08Å; L168-F182 HydrophobicContact CD2-CZ 4.01Å; L171-F182 HydrophobicContact CD2-CE1 3.76Å; L171-F182 HydrophobicContact CD2-CZ 3.72Å; D178-F182 WeakPolarHBondContact O-CD1 3.37Å; D178-F182 WeakPolarHBondContact O-CE1 3.29Å; P179-F182 PolarHBondContact O-N 3.18Å; F182-A486 HydrophobicContact CB-CB 4.47Å; F182-A486 HydrophobicContact CD2-CB 3.49Å; F182-A486 VanDerWaalsContact CD2-CB 3.49Å; F182-A486 HydrophobicContact CE2-CB 4Å; F182-A486 HydrophobicContact CG-CB 4.19Å; F182-H489 HydrophobicContact CE1-CB 4.41Å; F182-H489 AromaticContact CE1-ND1 3.48Å; F182-H489 WeakPolarHBondContact CE1-ND1 3.46Å; F182-H489 HydrophobicContact CE2-CB 4.27Å; F182-H489 HydrophobicContact CZ-CB 3.67Å; F182-H489 AromaticContact CZ-ND1 3.62Å; F182-W521 CarbonylContact O-C 3.35Å; F182-W521 WeakPolarHBondContact O-CA 3.37Å; F182-L522 PolarHBondContact O-N 3.23Å
183	F	98.3	Very high	92.4	Very high	7 Å²	7	52.5 Å²	52.5	3%	0.031	28%	0.281	C	S	.	.	S	Bend	trans	-130	118.2	176.1	180	-107.5	0	0	0	109.7	L164 L168 P179 R185 C186 Q325 L522	L164-F183 HydrophobicContact CD2-CE2 3.75Å; L164-F183 HydrophobicContact CD2-CZ 4.37Å; L164-F183 HydrophobicContact CG-CE2 3.99Å; L164-F183 HydrophobicContact CG-CZ 4.21Å; L168-F183 HydrophobicContact CD1-CB 3.76Å; L168-F183 HydrophobicContact CD1-CD1 3.74Å; L168-F183 HydrophobicContact CD1-CD2 3.61Å; L168-F183 HydrophobicContact CD1-CE1 4.1Å; L168-F183 HydrophobicContact CD1-CE2 4.01Å; L168-F183 HydrophobicContact CD1-CG 3.44Å; L168-F183 VanDerWaalsContact CD1-CG 3.44Å; L168-F183 HydrophobicContact CD1-CZ 4.19Å; P179-F183 WeakPolarHBondContact O-CB 3.45Å; P179-F183 PolarHBondContact O-N 2.89Å; F183-R185 PolarHBondContact O-N 3.43Å; F183-C186 HydrophobicContact CE1-CB 3.79Å; F183-C186 HydrophobicContact CZ-CB 4.24Å; F183-Q325 PolarHBondContact O-NE2 2.95Å; F183-Q325 VanDerWaalsContact O-NE2 3.1Å; F183-L522 HydrophobicContact CD2-CB 4.39Å; F183-L522 HydrophobicContact CD2-CG 4.49Å; F183-L522 WeakPolarHBondContact CD2-O 3.42Å
184	P	98	Very high	92.3	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.006	26%	0.255	C	S	.	.			trans	-60.5	131.4	-179.1	-23.2	34	0	0	0	110.6	C186 Q376 I379 W521 L522 I523	P184-C186 PolarHBondContact O-N 3.5Å; P184-Q376 HydrophobicContact CB-CG 3.95Å; P184-Q376 WeakPolarHBondContact O-CG 3.27Å; P184-Q376 PolarHBondContact O-NE2 3.28Å; P184-I379 HydrophobicContact CG-CD1 3.91Å; P184-I379 HydrophobicContact CG-CG1 4.14Å; P184-W521 HydrophobicContact CG-CB 4.25Å; P184-W521 HydrophobicContact CG-CE3 3.96Å; P184-L522 WeakPolarHBondContact CD-O 3.49Å; P184-I523 HydrophobicContact CG-CD1 4.24Å
185	R	96.4	Very high	92.3	Very high	18 Å²	18	44.5 Å²	44.5	7%	0.068	25%	0.251	C	S	.	.			trans	-52.2	137.5	-173	63.8	-164	-178.1	-90.6	9.6	111.5	F183 Y187 D201 T205 Q325 D329 W335 Q376 K377	F183-R185 PolarHBondContact O-N 3.43Å; R185-Y187 HydrophobicContact CG-CE2 4.45Å; R185-D201 WeakPolarHBondContact CD-OD2 3.48Å; R185-D201 IonicContact NE-OD1 4Å; R185-D201 PolarHBondContact NE-OD1 2.99Å; R185-D201 IonicContact NE-OD2 3.81Å; R185-D201 PolarHBondContact NE-OD2 2.84Å; R185-T205 PolarHBondContact NH2-OG1 2.85Å; R185-Q325 VanDerWaalsContact CG-OE1 3.28Å; R185-Q325 VanDerWaalsContact N-NE2 3.2Å; R185-D329 IonicContact CZ-OD1 2.57Å; R185-D329 IonicContact CZ-OD2 3.13Å; R185-D329 IonicContact NH1-OD1 2.7Å; R185-D329 PolarHBondContact NH1-OD1 3.24Å; R185-D329 IonicContact NH1-OD2 3.72Å; R185-D329 PolarHBondContact NH1-OD2 3.08Å; R185-D329 IonicContact NH2-OD1 2.59Å; R185-D329 PolarHBondContact NH2-OD1 2.85Å; R185-D329 IonicContact NH2-OD2 3.65Å; R185-D329 PolarHBondContact NH2-OD2 3.38Å; R185-W335 HydrophobicContact CG-CH2 4.1Å; R185-W335 HydrophobicContact CG-CZ3 4.49Å; R185-Q376 CarbonylContact O-C 3.48Å; R185-Q376 WeakPolarHBondContact O-CA 3.36Å; R185-K377 HydrophobicContact CG-CB 3.79Å; R185-K377 PolarHBondContact O-N 2.59Å
186	C	95.5	Very high	92.3	Very high	6 Å²	6	47.6 Å²	47.6	4%	0.041	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	143.5	-164	-173.8	0	0	0	0	110.8	K161 C165 R169 F183 P184 V375 Q376	K161-C186 PolarHBondContact NZ-SG 3.09Å; C165-C186 HydrophobicContact CB-CB 4.26Å; C165-C186 VanDerWaalsContact SG-C 3.51Å; C165-C186 VanDerWaalsContact SG-CB 3.55Å; C165-C186 PolarHBondContact SG-O 3.18Å; R169-C186 PolarHBondContact NH2-O 3.04Å; F183-C186 HydrophobicContact CE1-CB 3.79Å; F183-C186 HydrophobicContact CZ-CB 4.24Å; P184-C186 PolarHBondContact O-N 3.5Å; C186-V375 CarbonylContact C-O 3.52Å; C186-V375 VanDerWaalsContact CA-O 3.27Å; C186-V375 WeakPolarHBondContact CA-O 3.37Å; C186-Q376 HydrophobicContact CB-CB 4.18Å; C186-Q376 HydrophobicContact CB-CG 4.26Å
187	Y	93.9	Very high	92.3	Very high	35 Å²	35	42.4 Å²	42.4	14%	0.137	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	137.6	-175.1	-55.9	-89.7	0	0	0	111.8	R185 A197 F198 D201 W335 V374 V375	R185-Y187 HydrophobicContact CG-CE2 4.45Å; Y187-A197 HydrophobicContact CD1-CB 4.18Å; Y187-A197 HydrophobicContact CE1-CB 3.89Å; Y187-F198 HydrophobicContact CD1-CB 4.17Å; Y187-F198 HydrophobicContact CD2-CB 3.98Å; Y187-F198 HydrophobicContact CD2-CD2 4Å; Y187-F198 HydrophobicContact CD2-CG 4.46Å; Y187-F198 HydrophobicContact CG-CB 3.74Å; Y187-D201 HydrophobicContact CE2-CB 4.3Å; Y187-D201 WeakPolarHBondContact CE2-OD2 3.45Å; Y187-D201 PolarHBondContact OH-OD2 3.14Å; Y187-W335 HydrophobicContact CD2-CH2 4.4Å; Y187-W335 HydrophobicContact CD2-CZ3 4.05Å; Y187-W335 AromaticContact CE2-CH2 3.99Å; Y187-W335 HydrophobicContact CE2-CH2 3.99Å; Y187-W335 HydrophobicContact CE2-CZ3 4.06Å; Y187-V374 CarbonylContact O-C 3.53Å; Y187-V374 WeakPolarHBondContact O-CA 3.47Å; Y187-V375 HydrophobicContact CD2-CG2 4.47Å; Y187-V375 PolarHBondContact N-O 3.46Å; Y187-V375 PolarHBondContact O-N 3.05Å
188	K	90.2	Very high	92.3	Very high	57 Å²	57	41.1 Å²	41.1	25%	0.248	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	98.2	173.4	-177.8	-171.8	174.5	-175.1	0	108.3	A190 A191 E194	K188-A190 HydrophobicContact CG-CB 4.35Å; K188-A190 PolarHBondContact O-N 2.97Å; K188-A191 PolarHBondContact O-N 3.49Å; K188-A191 VanDerWaalsContact O-N 3.15Å; K188-E194 WeakPolarHBondContact CA-OE2 3.06Å; K188-E194 WeakPolarHBondContact CB-OE2 3.13Å; K188-E194 PolarHBondContact N-OE2 2.93Å; K188-E194 WeakPolarHBondContact O-CB 3.2Å
189	L	84.8	Confident	92.4	Very high	7 Å²	7	39.1 Å²	39.1	4%	0.037	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-4.4	-173.2	-61.7	-175.1	0	0	0	115.4	A191 K195 F198 I357 V361 V375	L189-A191 VanDerWaalsContact C-N 3.3Å; L189-K195 HydrophobicContact CD2-CB 4.28Å; L189-K195 HydrophobicContact CD2-CG 4.37Å; L189-F198 HydrophobicContact CD2-CB 3.8Å; L189-F198 HydrophobicContact CD2-CD1 3.57Å; L189-F198 HydrophobicContact CD2-CE1 4.4Å; L189-F198 HydrophobicContact CD2-CG 3.79Å; L189-I357 HydrophobicContact CD1-CG2 4.39Å; L189-V361 HydrophobicContact CB-CG1 3.78Å; L189-V361 HydrophobicContact CD1-CB 4.2Å; L189-V361 HydrophobicContact CD1-CG1 4.1Å; L189-V361 HydrophobicContact CD1-CG2 3.49Å; L189-V361 VanDerWaalsContact CD1-CG2 3.49Å; L189-V375 HydrophobicContact CD1-CB 4.3Å; L189-V375 HydrophobicContact CD1-CG1 3.37Å; L189-V375 HydrophobicContact CD1-CG2 3.93Å; L189-V375 HydrophobicContact CD2-CG2 3.74Å; L189-V375 HydrophobicContact CG-CG1 4.01Å; L189-V375 HydrophobicContact CG-CG2 3.81Å
190	A	79.4	Confident	92.3	Very high	56 Å²	56	42.7 Å²	42.7	46%	0.463	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-25.3	172.7	0	0	0	0	0	112.6	K188	K188-A190 HydrophobicContact CG-CB 4.35Å; K188-A190 PolarHBondContact O-N 2.97Å
191	A	82.9	Confident	92.3	Very high	29 Å²	29	40.2 Å²	40.2	24%	0.24	22%	0.215	C	C	.	.	S	Bend	trans	-91.8	131.1	175.3	0	0	0	0	0	109.1	K188 L189 D193 E194 K195	K188-A191 PolarHBondContact O-N 3.49Å; K188-A191 VanDerWaalsContact O-N 3.15Å; L189-A191 VanDerWaalsContact C-N 3.3Å; A191-D193 VanDerWaalsContact CB-OD1 3.29Å; A191-D193 WeakPolarHBondContact CB-OD1 3.34Å; A191-E194 HydrophobicContact CB-CB 4.09Å; A191-E194 HydrophobicContact CB-CG 3.97Å; A191-E194 PolarHBondContact O-N 3.17Å; A191-K195 WeakPolarHBondContact O-CB 3.16Å; A191-K195 PolarHBondContact O-N 3.38Å
192	Q	85.7	Confident	92.4	Very high	114 Å²	114	38.3 Å²	38.3	53%	0.533	20%	0.201	S	C	.	.	H	α-helix	trans	-67.5	-43.8	-172	-72.6	-59	-33.1	0	0	111.9	E194 K195 H196	Q192-E194 VanDerWaalsContact C-N 3.32Å; Q192-E194 PolarHBondContact O-N 2.94Å; Q192-K195 WeakPolarHBondContact O-CB 3.36Å; Q192-K195 PolarHBondContact O-N 3.47Å; Q192-H196 PolarHBondContact O-N 2.91Å; Q192-H196 PolarHBondContact O-ND1 2.88Å
193	D	88.1	Confident	92.4	Very high	114 Å²	114	39.3 Å²	39.3	61%	0.61	21%	0.205	S	C	*	.	H	α-helix	trans	-54	-47.3	172.3	59	-42.1	0	0	0	111.6	A191 K195 H196 A197	A191-D193 VanDerWaalsContact CB-OD1 3.29Å; A191-D193 WeakPolarHBondContact CB-OD1 3.34Å; D193-K195 VanDerWaalsContact C-N 3.34Å; D193-K195 PolarHBondContact O-N 3.16Å; D193-H196 PolarHBondContact O-N 3.36Å; D193-A197 PolarHBondContact O-N 2.99Å
194	E	89.9	Confident	92.3	Very high	25 Å²	25	42.2 Å²	42.2	12%	0.117	22%	0.216	C	C	.	.	H	α-helix	trans	-66.8	-34.8	177.2	-67.3	-159.1	-157.3	0	0	113.2	R169 K188 A191 Q192 A197 F198	R169-E194 IonicContact CZ-OE1 3.51Å; R169-E194 IonicContact CZ-OE2 3.97Å; R169-E194 IonicContact NH1-OE1 3.62Å; R169-E194 PolarHBondContact NH1-OE1 3.32Å; R169-E194 IonicContact NH1-OE2 3.07Å; R169-E194 PolarHBondContact NH1-OE2 2.88Å; R169-E194 IonicContact NH2-OE1 3.45Å; R169-E194 IonicContact NH2-OE2 3.45Å; R169-E194 PolarHBondContact NH2-OE2 3.36Å; K188-E194 WeakPolarHBondContact CA-OE2 3.06Å; K188-E194 WeakPolarHBondContact CB-OE2 3.13Å; K188-E194 PolarHBondContact N-OE2 2.93Å; K188-E194 WeakPolarHBondContact O-CB 3.2Å; A191-E194 HydrophobicContact CB-CB 4.09Å; A191-E194 HydrophobicContact CB-CG 3.97Å; A191-E194 PolarHBondContact O-N 3.17Å; Q192-E194 VanDerWaalsContact C-N 3.32Å; Q192-E194 PolarHBondContact O-N 2.94Å; E194-A197 PolarHBondContact O-N 2.89Å; E194-F198 WeakPolarHBondContact O-CB 3.45Å; E194-F198 PolarHBondContact O-N 3.41Å
195	K	91	Very high	92.3	Very high	37 Å²	37	42.3 Å²	42.3	16%	0.161	22%	0.217	C	C	.	.	H	α-helix	trans	-64.8	-41.4	174.2	-179.2	-178.3	176.3	-177.5	0	111.2	L189 A191 Q192 D193 F198 I199 L358	L189-K195 HydrophobicContact CD2-CB 4.28Å; L189-K195 HydrophobicContact CD2-CG 4.37Å; A191-K195 WeakPolarHBondContact O-CB 3.16Å; A191-K195 PolarHBondContact O-N 3.38Å; Q192-K195 WeakPolarHBondContact O-CB 3.36Å; Q192-K195 PolarHBondContact O-N 3.47Å; D193-K195 VanDerWaalsContact C-N 3.34Å; D193-K195 PolarHBondContact O-N 3.16Å; K195-F198 PolarHBondContact O-N 3.06Å; K195-I199 HydrophobicContact CG-CD1 4.26Å; K195-I199 VanDerWaalsContact O-CG1 3.31Å; K195-I199 WeakPolarHBondContact O-CG1 3.2Å; K195-I199 PolarHBondContact O-N 3.31Å; K195-L358 HydrophobicContact CG-CD2 4.44Å
196	H	92.3	Very high	92.4	Very high	111 Å²	111	41.5 Å²	41.5	51%	0.514	21%	0.213	S	C	.	.	H	α-helix	trans	-65.1	-46.8	174.8	-72.6	83.1	0	0	0	110.8	Q192 D193 F198 I199 E200	Q192-H196 PolarHBondContact O-N 2.91Å; Q192-H196 PolarHBondContact O-ND1 2.88Å; D193-H196 PolarHBondContact O-N 3.36Å; H196-F198 VanDerWaalsContact C-N 3.27Å; H196-F198 PolarHBondContact O-N 2.94Å; H196-I199 PolarHBondContact O-N 3.44Å; H196-E200 PolarHBondContact O-N 3.05Å
197	A	93.9	Very high	92.6	Very high	37 Å²	37	41.2 Å²	41.2	31%	0.306	21%	0.211	S	C	.	.	H	α-helix	trans	-57.3	-40.6	176.4	0	0	0	0	0	112.4	Y187 D193 E194 D201	Y187-A197 HydrophobicContact CD1-CB 4.18Å; Y187-A197 HydrophobicContact CE1-CB 3.89Å; D193-A197 PolarHBondContact O-N 2.99Å; E194-A197 PolarHBondContact O-N 2.89Å; A197-D201 WeakPolarHBondContact O-CB 2.9Å; A197-D201 PolarHBondContact O-N 3.47Å
198	F	95.9	Very high	92.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62	-45.7	173	164.4	-111	0	0	0	112.6	Y187 L189 E194 K195 H196 E200 D201 Y202 W335 L354 I357 L358 V375	Y187-F198 HydrophobicContact CD1-CB 4.17Å; Y187-F198 HydrophobicContact CD2-CB 3.98Å; Y187-F198 HydrophobicContact CD2-CD2 4Å; Y187-F198 HydrophobicContact CD2-CG 4.46Å; Y187-F198 HydrophobicContact CG-CB 3.74Å; L189-F198 HydrophobicContact CD2-CB 3.8Å; L189-F198 HydrophobicContact CD2-CD1 3.57Å; L189-F198 HydrophobicContact CD2-CE1 4.4Å; L189-F198 HydrophobicContact CD2-CG 3.79Å; E194-F198 WeakPolarHBondContact O-CB 3.45Å; E194-F198 PolarHBondContact O-N 3.41Å; K195-F198 PolarHBondContact O-N 3.06Å; H196-F198 VanDerWaalsContact C-N 3.27Å; H196-F198 PolarHBondContact O-N 2.94Å; F198-E200 VanDerWaalsContact C-N 3.32Å; F198-E200 PolarHBondContact O-N 2.8Å; F198-D201 PolarHBondContact O-N 3.37Å; F198-Y202 HydrophobicContact CE2-CD2 4.27Å; F198-Y202 HydrophobicContact CZ-CD2 4.05Å; F198-Y202 VanDerWaalsContact O-CB 3.31Å; F198-Y202 WeakPolarHBondContact O-CB 3.2Å; F198-Y202 PolarHBondContact O-N 3.1Å; F198-W335 HydrophobicContact CD2-CD2 4.48Å; F198-W335 HydrophobicContact CD2-CE3 4.16Å; F198-W335 HydrophobicContact CD2-CH2 4.26Å; F198-W335 HydrophobicContact CD2-CZ3 4.05Å; F198-W335 AromaticContact CE2-CD2 3.64Å; F198-W335 HydrophobicContact CE2-CD2 3.64Å; F198-W335 AromaticContact CE2-CE2 3.91Å; F198-W335 AromaticContact CE2-CE3 3.68Å; F198-W335 HydrophobicContact CE2-CE3 3.68Å; F198-W335 HydrophobicContact CE2-CG 4.14Å; F198-W335 HydrophobicContact CE2-CH2 4.28Å; F198-W335 HydrophobicContact CE2-CZ2 4.24Å; F198-W335 HydrophobicContact CE2-CZ3 4.01Å; F198-L354 HydrophobicContact CD1-CD1 4.46Å; F198-L354 HydrophobicContact CE1-CD1 3.6Å; F198-L354 HydrophobicContact CZ-CD1 3.96Å; F198-I357 HydrophobicContact CE1-CG2 3.83Å; F198-I357 HydrophobicContact CZ-CB 4.42Å; F198-I357 HydrophobicContact CZ-CD1 4.03Å; F198-I357 HydrophobicContact CZ-CG2 3.73Å; F198-L358 HydrophobicContact CD1-CD2 4.41Å; F198-L358 HydrophobicContact CE1-CD2 4.16Å; F198-V375 HydrophobicContact CB-CG2 4.47Å; F198-V375 HydrophobicContact CD1-CG2 4.26Å; F198-V375 HydrophobicContact CD2-CG2 3.49Å; F198-V375 VanDerWaalsContact CD2-CG2 3.49Å; F198-V375 HydrophobicContact CE1-CG2 4.44Å; F198-V375 HydrophobicContact CE2-CB 4.35Å; F198-V375 HydrophobicContact CE2-CG2 3.72Å; F198-V375 HydrophobicContact CG-CG2 3.78Å; F198-V375 HydrophobicContact CZ-CG2 4.2Å
199	I	96.3	Very high	93.1	Very high	27 Å²	27	37.5 Å²	37.5	14%	0.138	20%	0.197	C	C	.	.	H	α-helix	trans	-61.5	-43.1	-179.7	-71.9	164	0	0	0	110.6	K195 H196 Y202 R203 L354 L358	K195-I199 HydrophobicContact CG-CD1 4.26Å; K195-I199 VanDerWaalsContact O-CG1 3.31Å; K195-I199 WeakPolarHBondContact O-CG1 3.2Å; K195-I199 PolarHBondContact O-N 3.31Å; H196-I199 PolarHBondContact O-N 3.44Å; I199-Y202 PolarHBondContact O-N 3.05Å; I199-R203 WeakPolarHBondContact O-CB 3.25Å; I199-R203 VanDerWaalsContact O-CG 3.3Å; I199-R203 WeakPolarHBondContact O-CG 3.47Å; I199-R203 PolarHBondContact O-N 3.37Å; I199-L354 HydrophobicContact CG1-CD1 4.29Å; I199-L354 HydrophobicContact CG2-CD2 4.21Å; I199-L358 HydrophobicContact CD1-CD1 4.15Å; I199-L358 HydrophobicContact CD1-CD2 4.39Å; I199-L358 HydrophobicContact CG1-CD1 4.31Å; I199-L358 HydrophobicContact CG1-CD2 4.35Å
200	E	95.4	Very high	93.7	Very high	101 Å²	101	37.2 Å²	37.2	47%	0.472	20%	0.196	S	C	.	.	H	α-helix	trans	-65.7	-42.8	176.4	-66.5	-176.8	171.7	0	0	112.5	H196 F198 R203 R204	H196-E200 PolarHBondContact O-N 3.05Å; F198-E200 VanDerWaalsContact C-N 3.32Å; F198-E200 PolarHBondContact O-N 2.8Å; E200-R203 WeakPolarHBondContact O-CB 3.22Å; E200-R203 PolarHBondContact O-N 3.39Å; E200-R204 WeakPolarHBondContact O-CG 3.09Å; E200-R204 PolarHBondContact O-N 2.96Å; E200-R204 IonicContact OE2-NH1 3.13Å
201	D	97	Very high	94.6	Very high	13 Å²	13	34.6 Å²	34.6	7%	0.07	17%	0.174	C	C	.	.	H	α-helix	trans	-64	-41.9	176	-175.5	21.2	0	0	0	111.6	R185 Y187 A197 F198 R203 R204 T205 W335	R185-D201 WeakPolarHBondContact CD-OD2 3.48Å; R185-D201 IonicContact NE-OD1 4Å; R185-D201 PolarHBondContact NE-OD1 2.99Å; R185-D201 IonicContact NE-OD2 3.81Å; R185-D201 PolarHBondContact NE-OD2 2.84Å; Y187-D201 HydrophobicContact CE2-CB 4.3Å; Y187-D201 WeakPolarHBondContact CE2-OD2 3.45Å; Y187-D201 PolarHBondContact OH-OD2 3.14Å; A197-D201 WeakPolarHBondContact O-CB 2.9Å; A197-D201 PolarHBondContact O-N 3.47Å; F198-D201 PolarHBondContact O-N 3.37Å; D201-R203 VanDerWaalsContact C-N 3.3Å; D201-R203 PolarHBondContact O-N 3.45Å; D201-R204 PolarHBondContact O-N 3.34Å; D201-T205 VanDerWaalsContact O-CB 3.25Å; D201-T205 WeakPolarHBondContact O-CB 3.17Å; D201-T205 PolarHBondContact O-N 3.16Å; D201-T205 PolarHBondContact O-OG1 3.1Å; D201-T205 PolarHBondContact OD1-OG1 3.02Å; D201-W335 VanDerWaalsContact OD2-CH2 3.26Å; D201-W335 WeakPolarHBondContact OD2-CH2 3.2Å
202	Y	98.1	Very high	95.2	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-57.3	-45.2	174.1	-174.6	-77.6	0	0	0	111.4	F198 I199 T205 A206 L289 Y293 N333 W335 K352 R353 L354 I357	F198-Y202 HydrophobicContact CE2-CD2 4.27Å; F198-Y202 HydrophobicContact CZ-CD2 4.05Å; F198-Y202 VanDerWaalsContact O-CB 3.31Å; F198-Y202 WeakPolarHBondContact O-CB 3.2Å; F198-Y202 PolarHBondContact O-N 3.1Å; I199-Y202 PolarHBondContact O-N 3.05Å; Y202-T205 PolarHBondContact O-N 2.9Å; Y202-A206 PolarHBondContact O-N 3.05Å; Y202-L289 HydrophobicContact CD1-CD2 4.38Å; Y202-L289 HydrophobicContact CE1-CD2 4.03Å; Y202-Y293 WeakPolarHBondContact CE1-OH 3.36Å; Y202-Y293 VanDerWaalsContact OH-CE1 3.3Å; Y202-Y293 WeakPolarHBondContact OH-CE1 3.47Å; Y202-Y293 PolarHBondContact OH-OH 2.94Å; Y202-Y293 VanDerWaalsContact OH-OH 3.1Å; Y202-N333 WeakPolarHBondContact CE1-ND2 3.28Å; Y202-N333 PolarHBondContact O-ND2 2.58Å; Y202-W335 AromaticContact CD2-CD1 3.5Å; Y202-W335 HydrophobicContact CD2-CG 4.39Å; Y202-W335 AromaticContact CD2-NE1 3.3Å; Y202-W335 VanDerWaalsContact CD2-NE1 3.3Å; Y202-W335 AromaticContact CE2-CD1 3.56Å; Y202-W335 AromaticContact CE2-NE1 3.73Å; Y202-K352 PolarHBondContact OH-O 2.82Å; Y202-R353 WeakPolarHBondContact OH-CA 3.11Å; Y202-L354 HydrophobicContact CD1-CB 3.82Å; Y202-L354 HydrophobicContact CD1-CD1 4.12Å; Y202-L354 HydrophobicContact CD1-CD2 4.02Å; Y202-L354 HydrophobicContact CD1-CG 4.21Å; Y202-L354 HydrophobicContact CD2-CB 4.47Å; Y202-L354 HydrophobicContact CD2-CD1 4.13Å; Y202-L354 HydrophobicContact CE1-CB 3.59Å; Y202-L354 HydrophobicContact CE1-CG 4.46Å; Y202-L354 HydrophobicContact CE2-CB 4.27Å; Y202-L354 HydrophobicContact CG-CB 4.27Å; Y202-L354 HydrophobicContact CG-CD1 3.85Å; Y202-L354 HydrophobicContact CG-CG 4.44Å; Y202-L354 PolarHBondContact OH-N 2.93Å; Y202-I357 HydrophobicContact CD2-CD1 4.27Å; Y202-I357 HydrophobicContact CE2-CD1 3.89Å
203	R	97.8	Very high	95.7	Very high	30 Å²	30	31 Å²	31	11%	0.113	15%	0.15	C	C	.	.	H	α-helix	trans	-62.3	-49.4	177.4	-78.7	168.1	169.2	172.6	-1.6	112.1	I199 E200 D201 T205 A206 C207 Q282 W285 L289	I199-R203 WeakPolarHBondContact O-CB 3.25Å; I199-R203 VanDerWaalsContact O-CG 3.3Å; I199-R203 WeakPolarHBondContact O-CG 3.47Å; I199-R203 PolarHBondContact O-N 3.37Å; E200-R203 WeakPolarHBondContact O-CB 3.22Å; E200-R203 PolarHBondContact O-N 3.39Å; D201-R203 VanDerWaalsContact C-N 3.3Å; D201-R203 PolarHBondContact O-N 3.45Å; R203-T205 VanDerWaalsContact C-N 3.3Å; R203-T205 PolarHBondContact O-N 3.04Å; R203-A206 WeakPolarHBondContact O-CB 3.44Å; R203-A206 PolarHBondContact O-N 3.29Å; R203-A206 VanDerWaalsContact O-N 3.14Å; R203-C207 PolarHBondContact O-N 2.97Å; R203-C207 VanDerWaalsContact O-N 3.07Å; R203-C207 PolarHBondContact O-SG 3.47Å; R203-C207 VanDerWaalsContact O-SG 3.37Å; R203-Q282 VanDerWaalsContact NH2-CD 3.34Å; R203-W285 HydrophobicContact CB-CD2 4.36Å; R203-W285 HydrophobicContact CB-CE3 3.94Å; R203-W285 HydrophobicContact CB-CH2 3.73Å; R203-W285 HydrophobicContact CB-CZ2 4.14Å; R203-W285 HydrophobicContact CB-CZ3 3.62Å; R203-W285 VanDerWaalsContact CD-CD2 3.49Å; R203-W285 HydrophobicContact CG-CD2 3.91Å; R203-W285 HydrophobicContact CG-CE3 3.67Å; R203-W285 HydrophobicContact CG-CH2 4.33Å; R203-W285 HydrophobicContact CG-CZ3 3.91Å; R203-W285 VanDerWaalsContact CZ-CD1 3.5Å; R203-W285 VanDerWaalsContact CZ-CG 3.45Å; R203-W285 VanDerWaalsContact NE-CG 3.35Å; R203-L289 HydrophobicContact CG-CD1 4.47Å
204	R	96.6	Very high	96	Very high	68 Å²	68	25.8 Å²	25.8	26%	0.257	12%	0.122	S	C	.	.	H	α-helix	trans	-61.4	-39.5	175.7	-71.2	-172.9	-61.2	-96.1	-3.4	111.9	E200 D201 A206 C207 T208 V259	E200-R204 WeakPolarHBondContact O-CG 3.09Å; E200-R204 PolarHBondContact O-N 2.96Å; E200-R204 IonicContact OE2-NH1 3.13Å; D201-R204 PolarHBondContact O-N 3.34Å; R204-A206 VanDerWaalsContact C-N 3.31Å; R204-A206 PolarHBondContact O-N 3.25Å; R204-C207 WeakPolarHBondContact O-CB 3.12Å; R204-C207 PolarHBondContact O-N 2.85Å; R204-T208 PolarHBondContact O-N 3.33Å; R204-T208 PolarHBondContact O-OG1 3.35Å; R204-V259 HydrophobicContact CG-CG1 4.3Å
205	T	98.1	Very high	96.2	Very high	4 Å²	4	25.2 Å²	25.2	3%	0.025	12%	0.12	C	C	.	.	H	α-helix	trans	-64.8	-36.1	176.2	-55.9	0	0	0	0	111	R185 D201 Y202 R203 T208 S209 N333 K377	R185-T205 PolarHBondContact NH2-OG1 2.85Å; D201-T205 VanDerWaalsContact O-CB 3.25Å; D201-T205 WeakPolarHBondContact O-CB 3.17Å; D201-T205 PolarHBondContact O-N 3.16Å; D201-T205 PolarHBondContact O-OG1 3.1Å; D201-T205 PolarHBondContact OD1-OG1 3.02Å; Y202-T205 PolarHBondContact O-N 2.9Å; R203-T205 VanDerWaalsContact C-N 3.3Å; R203-T205 PolarHBondContact O-N 3.04Å; T205-T208 WeakPolarHBondContact CA-OG1 3.38Å; T205-T208 PolarHBondContact O-OG1 2.93Å; T205-S209 WeakPolarHBondContact O-CB 3.06Å; T205-S209 PolarHBondContact O-N 2.67Å; T205-S209 PolarHBondContact O-OG 3.14Å; T205-N333 WeakPolarHBondContact CB-OD1 3.49Å; T205-N333 HydrophobicContact CG2-CB 4.33Å; T205-N333 WeakPolarHBondContact CG2-OD1 3.35Å; T205-K377 HydrophobicContact CG2-CD 4.44Å
206	A	98.3	Very high	96.2	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-65.5	-41.3	173.2	0	0	0	0	0	111.9	Y202 R203 R204 S209 L210 F288 L289 Y292 N333	Y202-A206 PolarHBondContact O-N 3.05Å; R203-A206 WeakPolarHBondContact O-CB 3.44Å; R203-A206 PolarHBondContact O-N 3.29Å; R203-A206 VanDerWaalsContact O-N 3.14Å; R204-A206 VanDerWaalsContact C-N 3.31Å; R204-A206 PolarHBondContact O-N 3.25Å; A206-S209 PolarHBondContact O-N 2.92Å; A206-L210 WeakPolarHBondContact O-CB 3.4Å; A206-L210 PolarHBondContact O-N 3.47Å; A206-F288 HydrophobicContact CB-CE1 4.13Å; A206-L289 HydrophobicContact CB-CD2 3.8Å; A206-Y292 HydrophobicContact CB-CD1 3.89Å; A206-Y292 HydrophobicContact CB-CD2 4.19Å; A206-Y292 HydrophobicContact CB-CE1 4.04Å; A206-Y292 HydrophobicContact CB-CE2 4.33Å; A206-Y292 HydrophobicContact CB-CG 3.98Å; A206-N333 PolarHBondContact N-ND2 3.1Å
207	C	98.3	Very high	95.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-59	-53.1	173.7	-60.9	0	0	0	0	111.5	R203 R204 S209 L210 L211 A256 V259 F288	R203-C207 PolarHBondContact O-N 2.97Å; R203-C207 VanDerWaalsContact O-N 3.07Å; R203-C207 PolarHBondContact O-SG 3.47Å; R203-C207 VanDerWaalsContact O-SG 3.37Å; R204-C207 WeakPolarHBondContact O-CB 3.12Å; R204-C207 PolarHBondContact O-N 2.85Å; C207-S209 VanDerWaalsContact C-N 3.33Å; C207-S209 PolarHBondContact O-N 3.46Å; C207-L210 WeakPolarHBondContact O-CB 3.48Å; C207-L210 PolarHBondContact O-N 3.32Å; C207-L210 VanDerWaalsContact O-N 3.17Å; C207-L211 WeakPolarHBondContact O-CG 3.26Å; C207-L211 PolarHBondContact O-N 2.75Å; C207-L211 VanDerWaalsContact O-N 3.08Å; C207-A256 HydrophobicContact CB-CB 3.88Å; C207-V259 HydrophobicContact CB-CG1 4.48Å; C207-F288 HydrophobicContact CB-CZ 4.29Å; C207-F288 VanDerWaalsContact SG-CZ 3.52Å
208	T	97.6	Very high	95.5	Very high	14 Å²	14	24.1 Å²	24.1	9%	0.086	11%	0.111	C	C	.	.	H	α-helix	trans	-64.6	-36	179.7	55.3	0	0	0	0	112.6	R204 T205 L210 L211 K212 L319	R204-T208 PolarHBondContact O-N 3.33Å; R204-T208 PolarHBondContact O-OG1 3.35Å; T205-T208 WeakPolarHBondContact CA-OG1 3.38Å; T205-T208 PolarHBondContact O-OG1 2.93Å; T208-L210 VanDerWaalsContact C-N 3.34Å; T208-L210 PolarHBondContact O-N 2.92Å; T208-L211 PolarHBondContact O-N 2.78Å; T208-K212 WeakPolarHBondContact O-CG 3.38Å; T208-K212 PolarHBondContact O-N 2.84Å; T208-L319 HydrophobicContact CG2-CD1 3.65Å
209	S	97.6	Very high	94.7	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.007	13%	0.13	C	C	.	.	H	α-helix	trans	-61.7	-39.9	173.3	-63.7	0	0	0	0	112.2	T205 A206 C207 K212 Y213 G330	T205-S209 WeakPolarHBondContact O-CB 3.06Å; T205-S209 PolarHBondContact O-N 2.67Å; T205-S209 PolarHBondContact O-OG 3.14Å; A206-S209 PolarHBondContact O-N 2.92Å; C207-S209 VanDerWaalsContact C-N 3.33Å; C207-S209 PolarHBondContact O-N 3.46Å; S209-K212 PolarHBondContact O-N 3.41Å; S209-Y213 WeakPolarHBondContact O-CB 3.29Å; S209-Y213 PolarHBondContact O-N 3.01Å; S209-G330 PolarHBondContact OG-O 2.66Å
210	L	97.5	Very high	93.7	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-66	-43	175.4	-170.1	71.6	0	0	0	111.7	A206 C207 T208 K212 Y213 V214 T252 V253 A256 F288 Y292 V295 I302	A206-L210 WeakPolarHBondContact O-CB 3.4Å; A206-L210 PolarHBondContact O-N 3.47Å; C207-L210 WeakPolarHBondContact O-CB 3.48Å; C207-L210 PolarHBondContact O-N 3.32Å; C207-L210 VanDerWaalsContact O-N 3.17Å; T208-L210 VanDerWaalsContact C-N 3.34Å; T208-L210 PolarHBondContact O-N 2.92Å; L210-K212 VanDerWaalsContact C-N 3.32Å; L210-K212 PolarHBondContact O-N 3.29Å; L210-Y213 WeakPolarHBondContact O-CB 3.35Å; L210-Y213 PolarHBondContact O-N 3.46Å; L210-V214 WeakPolarHBondContact O-CG2 2.98Å; L210-V214 PolarHBondContact O-N 3.06Å; L210-V214 VanDerWaalsContact O-N 3.07Å; L210-T252 HydrophobicContact CD2-CG2 3.62Å; L210-V253 HydrophobicContact CD2-CG2 4.42Å; L210-A256 HydrophobicContact CD2-CB 4.1Å; L210-F288 HydrophobicContact CD2-CE2 4.17Å; L210-F288 HydrophobicContact CD2-CZ 4.29Å; L210-Y292 HydrophobicContact CB-CD2 4.33Å; L210-Y292 HydrophobicContact CD1-CD2 4.49Å; L210-V295 HydrophobicContact CD1-CB 4.2Å; L210-V295 HydrophobicContact CD1-CG1 4.05Å; L210-V295 HydrophobicContact CD1-CG2 4.32Å; L210-I302 HydrophobicContact CD1-CD1 3.78Å; L210-I302 HydrophobicContact CG-CD1 4.35Å
211	L	97.9	Very high	92.6	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-61.3	-42.6	175.8	-57.5	-173.8	0	0	0	111.1	C207 T208 V214 V215 V253 A256 L257 C260 C312 M315 L316	C207-L211 WeakPolarHBondContact O-CG 3.26Å; C207-L211 PolarHBondContact O-N 2.75Å; C207-L211 VanDerWaalsContact O-N 3.08Å; T208-L211 PolarHBondContact O-N 2.78Å; L211-V214 PolarHBondContact O-N 3.32Å; L211-V215 WeakPolarHBondContact O-CG2 3.45Å; L211-V215 PolarHBondContact O-N 2.83Å; L211-V253 HydrophobicContact CD2-CG1 4.25Å; L211-A256 HydrophobicContact CD2-CB 3.88Å; L211-A256 HydrophobicContact CG-CB 4.37Å; L211-L257 HydrophobicContact CD1-CD2 3.98Å; L211-L257 HydrophobicContact CD2-CD2 3.82Å; L211-L257 HydrophobicContact CD2-CG 3.84Å; L211-C260 HydrophobicContact CD1-CB 4.43Å; L211-C312 HydrophobicContact CB-CB 4.25Å; L211-C312 HydrophobicContact CD2-CB 4.44Å; L211-M315 HydrophobicContact CD1-CB 4.13Å; L211-M315 HydrophobicContact CD1-CG 3.74Å; L211-L316 HydrophobicContact CB-CD1 4.29Å; L211-L316 HydrophobicContact CB-CD2 4.19Å; L211-L316 HydrophobicContact CB-CG 4.18Å
212	K	96.6	Very high	90.9	Very high	16 Å²	16	35 Å²	35	7%	0.07	17%	0.166	C	C	.	.	H	α-helix	trans	-60.6	-45.2	173.8	-74.3	173.2	177.8	176.9	0	111.7	T208 S209 L210 V214 V215 E216 L316 L326 D329 T331	T208-K212 WeakPolarHBondContact O-CG 3.38Å; T208-K212 PolarHBondContact O-N 2.84Å; S209-K212 PolarHBondContact O-N 3.41Å; L210-K212 VanDerWaalsContact C-N 3.32Å; L210-K212 PolarHBondContact O-N 3.29Å; K212-V214 VanDerWaalsContact C-N 3.31Å; K212-V214 PolarHBondContact O-N 2.85Å; K212-V215 PolarHBondContact O-N 3.31Å; K212-V215 VanDerWaalsContact O-N 3.14Å; K212-E216 WeakPolarHBondContact O-CB 3.28Å; K212-E216 WeakPolarHBondContact O-CG 3.49Å; K212-E216 PolarHBondContact O-N 3.04Å; K212-L316 HydrophobicContact CG-CD1 3.99Å; K212-L316 HydrophobicContact CG-CD2 3.83Å; K212-L326 WeakPolarHBondContact CE-O 3.22Å; K212-L326 PolarHBondContact NZ-O 2.87Å; K212-D329 PolarHBondContact NZ-O 3.29Å; K212-T331 HydrophobicContact CB-CG2 3.84Å
213	Y	95.1	Very high	88.9	Confident	52 Å²	52	42.5 Å²	42.5	20%	0.204	19%	0.194	C	C	.	.	H	α-helix	trans	-56.8	-44.4	178.2	178.1	-86.3	0	0	0	112	S209 L210 V215 K217 V295 I302	S209-Y213 WeakPolarHBondContact O-CB 3.29Å; S209-Y213 PolarHBondContact O-N 3.01Å; L210-Y213 WeakPolarHBondContact O-CB 3.35Å; L210-Y213 PolarHBondContact O-N 3.46Å; Y213-V215 VanDerWaalsContact C-N 3.34Å; Y213-V215 PolarHBondContact O-N 3.07Å; Y213-K217 HydrophobicContact CE1-CD 4.07Å; Y213-K217 VanDerWaalsContact O-CB 3.25Å; Y213-K217 WeakPolarHBondContact O-CB 3.41Å; Y213-K217 PolarHBondContact O-N 3.24Å; Y213-V295 HydrophobicContact CD1-CG1 3.49Å; Y213-V295 VanDerWaalsContact CD1-CG1 3.49Å; Y213-V295 HydrophobicContact CD2-CG1 4.18Å; Y213-V295 HydrophobicContact CE1-CG1 3.34Å; Y213-V295 HydrophobicContact CE2-CG1 4.04Å; Y213-V295 HydrophobicContact CG-CG1 3.93Å; Y213-I302 HydrophobicContact CD1-CD1 4.34Å
214	V	95.2	Very high	87	Confident	4 Å²	4	46.3 Å²	46.3	2%	0.024	22%	0.217	C	C	.	.	H	α-helix	trans	-59.9	-44.8	177	172.5	0	0	0	0	111.1	L210 L211 K212 D218 V253 I302 V309	L210-V214 WeakPolarHBondContact O-CG2 2.98Å; L210-V214 PolarHBondContact O-N 3.06Å; L210-V214 VanDerWaalsContact O-N 3.07Å; L211-V214 PolarHBondContact O-N 3.32Å; K212-V214 VanDerWaalsContact C-N 3.31Å; K212-V214 PolarHBondContact O-N 2.85Å; V214-D218 PolarHBondContact O-N 2.75Å; V214-V253 HydrophobicContact CG2-CG2 4.15Å; V214-I302 HydrophobicContact CG2-CD1 3.78Å; V214-V309 HydrophobicContact CG1-CG2 4.02Å
215	V	94.6	Very high	85.1	Confident	13 Å²	13	48.7 Å²	48.7	8%	0.079	23%	0.231	C	C	.	.	H	α-helix	trans	-70.8	-43	-179.5	175.5	0	0	0	0	112.3	L211 K212 Y213 D218 Q219 C312 K313 L316	L211-V215 WeakPolarHBondContact O-CG2 3.45Å; L211-V215 PolarHBondContact O-N 2.83Å; K212-V215 PolarHBondContact O-N 3.31Å; K212-V215 VanDerWaalsContact O-N 3.14Å; Y213-V215 VanDerWaalsContact C-N 3.34Å; Y213-V215 PolarHBondContact O-N 3.07Å; V215-D218 PolarHBondContact O-N 2.81Å; V215-Q219 WeakPolarHBondContact O-CG 3.3Å; V215-Q219 PolarHBondContact O-N 2.78Å; V215-Q219 VanDerWaalsContact O-N 3.15Å; V215-C312 HydrophobicContact CG2-CB 3.72Å; V215-K313 HydrophobicContact CG2-CB 4.27Å; V215-L316 HydrophobicContact CG2-CD1 4.04Å
216	E	90.8	Very high	83.2	Confident	54 Å²	54	52.3 Å²	52.3	25%	0.252	25%	0.249	S	C	.	.	H	α-helix	trans	-67	-36.3	-179.9	-72.5	179	-176.5	0	0	111.9	K212 Q219 N220 T331 K381	K212-E216 WeakPolarHBondContact O-CB 3.28Å; K212-E216 WeakPolarHBondContact O-CG 3.49Å; K212-E216 PolarHBondContact O-N 3.04Å; E216-Q219 PolarHBondContact O-N 3.36Å; E216-N220 PolarHBondContact O-N 3.27Å; E216-T331 VanDerWaalsContact OE2-CG2 3.28Å; E216-T331 WeakPolarHBondContact OE2-CG2 3.45Å; E216-K381 IonicContact OE1-NZ 2.88Å; E216-K381 PolarHBondContact OE1-NZ 3Å
217	K	86.1	Confident	80.9	Confident	46 Å²	46	60 Å²	60	20%	0.2	28%	0.28	C	S	.	.	H	α-helix	trans	-65.3	-42	176.8	-175.8	-176.8	169.2	-161.5	0	111.9	Y213 N220 I221 H301	Y213-K217 HydrophobicContact CE1-CD 4.07Å; Y213-K217 VanDerWaalsContact O-CB 3.25Å; Y213-K217 WeakPolarHBondContact O-CB 3.41Å; Y213-K217 PolarHBondContact O-N 3.24Å; K217-N220 PolarHBondContact O-N 3.48Å; K217-I221 HydrophobicContact CG-CD1 4.3Å; K217-I221 WeakPolarHBondContact O-CG1 3.49Å; K217-I221 PolarHBondContact O-N 3.09Å; K217-I221 VanDerWaalsContact O-N 3.07Å; K217-H301 PolarHBondContact NZ-ND1 2.78Å
218	D	84.2	Confident	78.5	Confident	63 Å²	63	67.2 Å²	67.2	34%	0.337	31%	0.313	S	S	.	.	H	α-helix	trans	-62.2	-46.3	176	-176	72.6	0	0	0	111.5	V214 V215 N220 I221 Q222 V309	V214-D218 PolarHBondContact O-N 2.75Å; V215-D218 PolarHBondContact O-N 2.81Å; D218-N220 VanDerWaalsContact C-N 3.34Å; D218-N220 PolarHBondContact O-N 3.19Å; D218-I221 PolarHBondContact O-N 3.47Å; D218-I221 VanDerWaalsContact O-N 3.15Å; D218-Q222 PolarHBondContact O-N 3.43Å; D218-V309 HydrophobicContact CB-CG1 4.11Å; D218-V309 HydrophobicContact CB-CG2 3.85Å
219	Q	78.9	Confident	76.2	Confident	84 Å²	84	73.2 Å²	73.2	39%	0.393	35%	0.345	S	S	.	.	H	α-helix	trans	-58.7	-43.3	175.3	-71	174.9	2.6	0	0	112.3	V215 E216 I221 Q222 W223	V215-Q219 WeakPolarHBondContact O-CG 3.3Å; V215-Q219 PolarHBondContact O-N 2.78Å; V215-Q219 VanDerWaalsContact O-N 3.15Å; E216-Q219 PolarHBondContact O-N 3.36Å; Q219-I221 VanDerWaalsContact C-N 3.33Å; Q219-I221 PolarHBondContact O-N 3.39Å; Q219-Q222 PolarHBondContact O-N 3.02Å; Q219-W223 WeakPolarHBondContact O-CB 3.47Å; Q219-W223 PolarHBondContact O-N 3.5Å
220	N	75.9	Confident	73.7	Confident	98 Å²	98	81.3 Å²	81.3	52%	0.524	38%	0.38	S	S	.	.	H	α-helix	trans	-65.5	-34.9	177.7	-79	-21	0	0	0	112.8	E216 K217 D218 N224	E216-N220 PolarHBondContact O-N 3.27Å; K217-N220 PolarHBondContact O-N 3.48Å; D218-N220 VanDerWaalsContact C-N 3.34Å; D218-N220 PolarHBondContact O-N 3.19Å; N220-N224 WeakPolarHBondContact O-CB 3.06Å; N220-N224 PolarHBondContact O-N 2.99Å; N220-N224 PolarHBondContact O-ND2 3.46Å
221	I	71.9	Confident	70.8	Confident	77 Å²	77	88.5 Å²	88.5	40%	0.395	41%	0.414	S	S	.	.	H	α-helix	trans	-64.3	-49.4	173.5	-68.5	164.2	0	0	0	109.2	K217 D218 Q219 W223 N224 E225	K217-I221 HydrophobicContact CG-CD1 4.3Å; K217-I221 WeakPolarHBondContact O-CG1 3.49Å; K217-I221 PolarHBondContact O-N 3.09Å; K217-I221 VanDerWaalsContact O-N 3.07Å; D218-I221 PolarHBondContact O-N 3.47Å; D218-I221 VanDerWaalsContact O-N 3.15Å; Q219-I221 VanDerWaalsContact C-N 3.33Å; Q219-I221 PolarHBondContact O-N 3.39Å; I221-W223 PolarHBondContact O-N 2.94Å; I221-N224 PolarHBondContact O-N 3.15Å; I221-E225 HydrophobicContact CG2-CG 4.4Å; I221-E225 WeakPolarHBondContact CG2-OE1 3.21Å; I221-E225 WeakPolarHBondContact O-CG 3.38Å; I221-E225 PolarHBondContact O-N 3.48Å
222	Q	61.5	Low	68.3	Low	111 Å²	111	96.4 Å²	96.4	52%	0.519	46%	0.456	S	S	.	.	H	α-helix	trans	-59	-43.8	178.4	-169.3	176.2	33.7	0	0	112.4	D218 Q219 E225 I226	D218-Q222 PolarHBondContact O-N 3.43Å; Q219-Q222 PolarHBondContact O-N 3.02Å; Q222-E225 PolarHBondContact O-N 3.01Å; Q222-I226 HydrophobicContact CG-CD1 4.08Å; Q222-I226 WeakPolarHBondContact O-CD1 3.38Å; Q222-I226 WeakPolarHBondContact O-CG1 3.43Å; Q222-I226 PolarHBondContact O-N 3.05Å
223	W	56.1	Low	65.4	Low	157 Å²	157	101.5 Å²	101.5	60%	0.595	49%	0.488	S	S	*	.	H	α-helix	trans	-63.6	-42.3	176.2	-85.3	110.5	0	0	0	112.7	Q219 I221 I226 Y227	Q219-W223 WeakPolarHBondContact O-CB 3.47Å; Q219-W223 PolarHBondContact O-N 3.5Å; I221-W223 PolarHBondContact O-N 2.94Å; W223-I226 PolarHBondContact O-N 3.42Å; W223-Y227 PolarHBondContact O-N 2.86Å
224	N	57.8	Low	62.7	Low	110 Å²	110	107.4 Å²	107.4	59%	0.588	52%	0.518	S	S	*	.	H	α-helix	trans	-68	-35.6	177.8	-74.2	-36.3	0	0	0	112.2	N220 I221 Y227 Q228	N220-N224 WeakPolarHBondContact O-CB 3.06Å; N220-N224 PolarHBondContact O-N 2.99Å; N220-N224 PolarHBondContact O-ND2 3.46Å; I221-N224 PolarHBondContact O-N 3.15Å; N224-Y227 PolarHBondContact O-N 2.96Å; N224-Q228 WeakPolarHBondContact O-CB 3.31Å; N224-Q228 WeakPolarHBondContact O-CG 3.45Å; N224-Q228 PolarHBondContact O-N 3.3Å
225	E	57.3	Low	59.7	Low	118 Å²	118	118.3 Å²	118.3	55%	0.551	56%	0.559	S	S	*	*	H	α-helix	trans	-66.4	-39.1	173.7	-72.9	174.2	178.2	0	0	112	I221 Q222 N229	I221-E225 HydrophobicContact CG2-CG 4.4Å; I221-E225 WeakPolarHBondContact CG2-OE1 3.21Å; I221-E225 WeakPolarHBondContact O-CG 3.38Å; I221-E225 PolarHBondContact O-N 3.48Å; Q222-E225 PolarHBondContact O-N 3.01Å; E225-N229 PolarHBondContact O-N 3.45Å; E225-N229 PolarHBondContact O-ND2 2.94Å
226	I	57.9	Low	57	Low	80 Å²	80	125.8 Å²	125.8	41%	0.41	60%	0.597	S	S	.	*	H	α-helix	trans	-66.7	-40.8	175	-67.1	163.6	0	0	0	111.2	Q222 W223 N229	Q222-I226 HydrophobicContact CG-CD1 4.08Å; Q222-I226 WeakPolarHBondContact O-CD1 3.38Å; Q222-I226 WeakPolarHBondContact O-CG1 3.43Å; Q222-I226 PolarHBondContact O-N 3.05Å; W223-I226 PolarHBondContact O-N 3.42Å; I226-N229 PolarHBondContact O-N 3Å
227	Y	49	Very low	54.5	Low	162 Å²	162	132 Å²	132	64%	0.635	62%	0.623	S	S	*	*	H	α-helix	trans	-72.4	-34.7	179.4	-121.2	-90.7	0	0	0	113.1	W223 N224 N229 F230	W223-Y227 PolarHBondContact O-N 2.86Å; N224-Y227 PolarHBondContact O-N 2.96Å; Y227-N229 PolarHBondContact O-N 3.44Å; Y227-F230 PolarHBondContact O-N 3.19Å
228	Q	49.3	Very low	51.9	Low	151 Å²	151	139 Å²	139	71%	0.706	65%	0.654	S	S	*	*	H	α-helix	trans	-63.5	-28.3	171.7	-76.2	-78	-38.1	0	0	112	N224 F230	N224-Q228 WeakPolarHBondContact O-CB 3.31Å; N224-Q228 WeakPolarHBondContact O-CG 3.45Å; N224-Q228 PolarHBondContact O-N 3.3Å; Q228-F230 VanDerWaalsContact C-N 3.25Å; Q228-F230 PolarHBondContact O-N 3.02Å
229	N	49.2	Very low	49.8	Very low	139 Å²	139	144.7 Å²	144.7	74%	0.743	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-2.7	172.9	-74.9	-25.7	0	0	0	114.3	E225 I226 Y227	E225-N229 PolarHBondContact O-N 3.45Å; E225-N229 PolarHBondContact O-ND2 2.94Å; I226-N229 PolarHBondContact O-N 3Å; Y227-N229 PolarHBondContact O-N 3.44Å
230	F	45.6	Very low	47.6	Very low	172 Å²	172	148.1 Å²	148.1	75%	0.754	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.3	-4	-179	-98.8	-84.5	0	0	0	115.5	Y227 Q228	Y227-F230 PolarHBondContact O-N 3.19Å; Q228-F230 VanDerWaalsContact C-N 3.25Å; Q228-F230 PolarHBondContact O-N 3.02Å
231	Q	36.4	Very low	45.8	Very low	151 Å²	151	152.6 Å²	152.6	71%	0.706	71%	0.714	S	S	*	*			trans	-148.5	103.2	169.4	-71.5	-170.6	-3.2	0	0	111.9	V233	Q231-V233 PolarHBondContact O-N 3.4Å
232	D	44.6	Very low	44.3	Very low	166 Å²	166	157.6 Å²	157.6	89%	0.888	74%	0.741	S	S	*	*			trans	-65.8	112.1	146	-101.2	-33	0	0	0	107.5
233	V	36.1	Very low	43.5	Very low	124 Å²	124	163 Å²	163	75%	0.752	76%	0.756	S	S	*	*			trans	167.6	106.4	135.6	169.4	0	0	0	0	109.4	Q231	Q231-V233 PolarHBondContact O-N 3.4Å
234	Q	37.9	Very low	43.3	Very low	175 Å²	175	161.7 Å²	161.7	82%	0.818	77%	0.769	S	S	*	*			trans	34.1	104.1	145.1	-59.9	-177.4	15.7	0	0	119.8
235	W	32.3	Very low	43.9	Very low	234 Å²	234	162.8 Å²	162.8	89%	0.886	77%	0.769	S	S	*	*			trans	-154	56.6	132	-120.7	89.9	0	0	0	112.2
236	L	38.1	Very low	45	Very low	170 Å²	170	160.2 Å²	160.2	89%	0.89	76%	0.762	S	S	*	*			trans	-99.4	91.6	167.7	-151.4	87.8	0	0	0	109.1
237	K	38.3	Very low	46.4	Very low	184 Å²	184	161.9 Å²	161.9	80%	0.8	77%	0.772	S	S	*	*			trans	-179.8	87.9	149.9	-100.8	163.9	-171	-178.3	0	111
238	K	31.1	Very low	48.5	Very low	194 Å²	194	154.3 Å²	154.3	84%	0.843	74%	0.742	S	S	*	*			trans	-142.2	85.4	136.9	-126.7	173.6	-175.4	175.2	0	108.6	N240	K238-N240 PolarHBondContact O-N 3.32Å
239	Q	39.6	Very low	50.5	Low	182 Å²	182	150.1 Å²	150.1	85%	0.85	73%	0.728	S	S	*	*			trans	-51.9	129.9	161.6	-78.2	-174.5	-24.5	0	0	108.8
240	N	33.5	Very low	52.5	Low	155 Å²	155	144.6 Å²	144.6	83%	0.829	70%	0.701	S	S	*	*			trans	-138.1	101.4	153.2	-100.6	-22.8	0	0	0	108.7	K238	K238-N240 PolarHBondContact O-N 3.32Å
241	K	37.8	Very low	54.7	Low	193 Å²	193	141.8 Å²	141.8	84%	0.839	69%	0.69	S	S	*	*			trans	47.1	102.3	161.4	-74.2	174.3	174.8	174.2	0	117.1	R243	K241-R243 VanDerWaalsContact C-N 3.27Å; K241-R243 PolarHBondContact O-N 2.97Å
242	L	40.8	Very low	57.5	Low	182 Å²	182	135.1 Å²	135.1	95%	0.953	66%	0.659	S	S	*	*			trans	-53.7	91.8	152.8	-104.7	75.1	0	0	0	108.9
243	R	44	Very low	59.9	Low	224 Å²	224	127.2 Å²	127.2	85%	0.845	62%	0.617	S	S	*	*			trans	-82	127.1	145.5	-82.3	-176.1	170.4	179.6	-2.8	105.4	K241 K245	K241-R243 VanDerWaalsContact C-N 3.27Å; K241-R243 PolarHBondContact O-N 2.97Å; R243-K245 PolarHBondContact O-N 3.23Å
244	C	52.4	Low	62.8	Low	129 Å²	129	124.9 Å²	124.9	87%	0.872	60%	0.603	S	S	*	*			trans	-51.9	107.9	166.7	-69.2	0	0	0	0	107.2
245	K	71.2	Confident	65.5	Low	134 Å²	134	118.3 Å²	118.3	58%	0.583	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-63.8	137.5	175.7	-70.1	178.3	176.2	-176.4	0	107	R243 L247 H301	R243-K245 PolarHBondContact O-N 3.23Å; K245-L247 PolarHBondContact O-N 3.33Å; K245-H301 VanDerWaalsContact CD-NE2 3.27Å; K245-H301 WeakPolarHBondContact CD-NE2 3.42Å
246	P	80.6	Confident	68.6	Low	63 Å²	63	107.2 Å²	107.2	41%	0.409	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-54.3	137.7	-179.7	-21.2	30.6	0	0	0	110.3	A300 H301	P246-A300 HydrophobicContact CB-CB 3.91Å; P246-A300 HydrophobicContact CG-CB 4.42Å; P246-A300 CarbonylContact O-C 3.59Å; P246-A300 WeakPolarHBondContact O-CA 3.36Å; P246-A300 WeakPolarHBondContact O-CB 3.4Å; P246-H301 PolarHBondContact O-N 3.4Å
247	L	87.6	Confident	71.5	Confident	116 Å²	116	100.3 Å²	100.3	61%	0.607	50%	0.497	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.7	130	174.1	-172.4	71.5	0	0	0	108.4	K245 H301 E303	K245-L247 PolarHBondContact O-N 3.33Å; L247-H301 CarbonylContact C-O 3.44Å; L247-H301 WeakPolarHBondContact CA-O 3.31Å; L247-H301 HydrophobicContact CD1-CB 4.37Å; L247-E303 HydrophobicContact CD1-CB 4.21Å; L247-E303 HydrophobicContact CD2-CB 4.4Å; L247-E303 HydrophobicContact CG-CB 4.38Å
248	V	91.3	Very high	74.2	Confident	2 Å²	2	96.5 Å²	96.5	1%	0.012	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	134.9	179.3	171.7	0	0	0	0	109.2	T252 L294 V295 A300 H301 I302 E303	V248-T252 HydrophobicContact CG1-CG2 4.39Å; V248-T252 WeakPolarHBondContact CG1-OG1 3.46Å; V248-L294 HydrophobicContact CG2-CB 4.11Å; V248-L294 HydrophobicContact CG2-CD1 4.47Å; V248-V295 HydrophobicContact CB-CG2 4.02Å; V248-V295 HydrophobicContact CG1-CG2 4.16Å; V248-V295 HydrophobicContact CG2-CG2 3.83Å; V248-A300 HydrophobicContact CG2-CB 3.86Å; V248-H301 PolarHBondContact N-O 3.2Å; V248-I302 WeakPolarHBondContact O-CA 3.22Å; V248-E303 PolarHBondContact O-N 2.95Å
249	P	91.8	Very high	77.2	Confident	64 Å²	64	87.7 Å²	87.7	42%	0.416	44%	0.443	S	S	.	.			trans	-62.6	144.5	-177.1	-20.3	31.5	0	0	0	113.2	E251 T252	P249-E251 WeakPolarHBondContact CB-OE2 3.28Å; P249-E251 PolarHBondContact O-N 3.44Å; P249-T252 WeakPolarHBondContact O-CB 3.38Å; P249-T252 PolarHBondContact O-N 3.22Å; P249-T252 VanDerWaalsContact O-N 3.14Å; P249-T252 PolarHBondContact O-OG1 3.49Å
250	S	91.3	Very high	79.9	Confident	23 Å²	23	79.2 Å²	79.2	16%	0.161	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-25.4	-179.5	70.9	0	0	0	0	113.3	T252 V253 T254 E303	S250-T252 PolarHBondContact O-N 3.32Å; S250-T252 VanDerWaalsContact O-N 3.08Å; S250-V253 PolarHBondContact O-N 3.46Å; S250-T254 PolarHBondContact O-N 3.01Å; S250-E303 WeakPolarHBondContact CB-O 3.43Å
251	E	92.8	Very high	82.9	Confident	113 Å²	113	74.8 Å²	74.8	53%	0.528	38%	0.378	S	S	.	.	H	α-helix	trans	-56.2	-25.5	174.9	-65.3	77.9	-174	0	0	112.3	P249 V253 T254 T255	P249-E251 WeakPolarHBondContact CB-OE2 3.28Å; P249-E251 PolarHBondContact O-N 3.44Å; E251-V253 VanDerWaalsContact C-N 3.31Å; E251-V253 PolarHBondContact O-N 3.18Å; E251-T254 PolarHBondContact O-N 2.87Å; E251-T255 WeakPolarHBondContact O-CB 3.3Å; E251-T255 PolarHBondContact O-N 3.39Å; E251-T255 PolarHBondContact O-OG1 3.22Å
252	T	94.4	Very high	85.5	Confident	10 Å²	10	67.7 Å²	67.7	6%	0.061	35%	0.348	C	S	.	.	H	α-helix	trans	-61.8	-40.7	174.9	-45.1	0	0	0	0	111	L210 V248 P249 S250 T255 A256 F288	L210-T252 HydrophobicContact CD2-CG2 3.62Å; V248-T252 HydrophobicContact CG1-CG2 4.39Å; V248-T252 WeakPolarHBondContact CG1-OG1 3.46Å; P249-T252 WeakPolarHBondContact O-CB 3.38Å; P249-T252 PolarHBondContact O-N 3.22Å; P249-T252 VanDerWaalsContact O-N 3.14Å; P249-T252 PolarHBondContact O-OG1 3.49Å; S250-T252 PolarHBondContact O-N 3.32Å; S250-T252 VanDerWaalsContact O-N 3.08Å; T252-T255 PolarHBondContact O-N 3.45Å; T252-A256 PolarHBondContact O-N 3.3Å; T252-F288 HydrophobicContact CG2-CD2 3.8Å; T252-F288 HydrophobicContact CG2-CE2 3.71Å; T252-F288 WeakPolarHBondContact O-CE2 3.5Å
253	V	96.1	Very high	87.9	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-71.2	-42.6	178.1	-177.5	0	0	0	0	110.5	L210 L211 V214 S250 E251 T255 A256 L257 I302 F308	L210-V253 HydrophobicContact CD2-CG2 4.42Å; L211-V253 HydrophobicContact CD2-CG1 4.25Å; V214-V253 HydrophobicContact CG2-CG2 4.15Å; S250-V253 PolarHBondContact O-N 3.46Å; E251-V253 VanDerWaalsContact C-N 3.31Å; E251-V253 PolarHBondContact O-N 3.18Å; V253-T255 VanDerWaalsContact C-N 3.29Å; V253-T255 PolarHBondContact O-N 3.04Å; V253-A256 PolarHBondContact O-N 3.47Å; V253-L257 HydrophobicContact CG1-CD1 4.22Å; V253-L257 WeakPolarHBondContact O-CG 3.38Å; V253-L257 PolarHBondContact O-N 3.49Å; V253-I302 HydrophobicContact CG2-CD1 4.01Å; V253-I302 HydrophobicContact CG2-CG2 3.73Å; V253-F308 HydrophobicContact CB-CD1 4.29Å; V253-F308 HydrophobicContact CB-CG 4.23Å; V253-F308 HydrophobicContact CG1-CB 3.71Å; V253-F308 HydrophobicContact CG1-CD1 3.84Å; V253-F308 HydrophobicContact CG1-CD2 4.45Å; V253-F308 HydrophobicContact CG1-CG 3.75Å
254	T	95.5	Very high	90.3	Very high	75 Å²	75	52.5 Å²	52.5	46%	0.46	28%	0.28	S	S	.	.	H	α-helix	trans	-58.6	-41.9	174.7	-53.3	0	0	0	0	111.5	S250 E251 L257 K258	S250-T254 PolarHBondContact O-N 3.01Å; E251-T254 PolarHBondContact O-N 2.87Å; T254-L257 PolarHBondContact O-N 3.48Å; T254-K258 WeakPolarHBondContact O-CB 3.45Å; T254-K258 PolarHBondContact O-N 2.78Å
255	T	96	Very high	92.1	Very high	38 Å²	38	48 Å²	48	23%	0.233	25%	0.246	C	C	.	.	H	α-helix	trans	-63	-45.7	175.6	-57.5	0	0	0	0	111.2	E251 T252 V253 L257 K258 V259 L280 F288	E251-T255 WeakPolarHBondContact O-CB 3.3Å; E251-T255 PolarHBondContact O-N 3.39Å; E251-T255 PolarHBondContact O-OG1 3.22Å; T252-T255 PolarHBondContact O-N 3.45Å; V253-T255 VanDerWaalsContact C-N 3.29Å; V253-T255 PolarHBondContact O-N 3.04Å; T255-L257 PolarHBondContact O-N 2.81Å; T255-K258 PolarHBondContact O-N 3.25Å; T255-V259 WeakPolarHBondContact O-CG2 3.47Å; T255-V259 PolarHBondContact O-N 2.77Å; T255-L280 HydrophobicContact CG2-CD1 3.87Å; T255-L280 HydrophobicContact CG2-CD2 3.97Å; T255-F288 HydrophobicContact CG2-CD2 3.94Å; T255-F288 HydrophobicContact CG2-CE2 4.43Å
256	A	97.4	Very high	93	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-61.3	-43.1	176.8	0	0	0	0	0	112.4	C207 L210 L211 T252 V253 V259 C260 F288	C207-A256 HydrophobicContact CB-CB 3.88Å; L210-A256 HydrophobicContact CD2-CB 4.1Å; L211-A256 HydrophobicContact CD2-CB 3.88Å; L211-A256 HydrophobicContact CG-CB 4.37Å; T252-A256 PolarHBondContact O-N 3.3Å; V253-A256 PolarHBondContact O-N 3.47Å; A256-V259 PolarHBondContact O-N 2.99Å; A256-C260 WeakPolarHBondContact O-CB 3.36Å; A256-C260 PolarHBondContact O-N 3.35Å; A256-C260 PolarHBondContact O-SG 3.36Å; A256-F288 HydrophobicContact CB-CE2 4.04Å; A256-F288 HydrophobicContact CB-CZ 4.13Å
257	L	97.4	Very high	93.3	Very high	25 Å²	25	44 Å²	44	13%	0.131	23%	0.23	C	C	.	.	H	α-helix	trans	-61.7	-44.5	175.4	-74.5	169.3	0	0	0	111.6	L211 V253 T254 T255 C260 Q261 F308 M315	L211-L257 HydrophobicContact CD1-CD2 3.98Å; L211-L257 HydrophobicContact CD2-CD2 3.82Å; L211-L257 HydrophobicContact CD2-CG 3.84Å; V253-L257 HydrophobicContact CG1-CD1 4.22Å; V253-L257 WeakPolarHBondContact O-CG 3.38Å; V253-L257 PolarHBondContact O-N 3.49Å; T254-L257 PolarHBondContact O-N 3.48Å; T255-L257 PolarHBondContact O-N 2.81Å; L257-C260 PolarHBondContact O-N 2.81Å; L257-Q261 WeakPolarHBondContact O-CB 3.21Å; L257-Q261 PolarHBondContact O-N 2.99Å; L257-F308 HydrophobicContact CD1-CD1 4.27Å; L257-M315 HydrophobicContact CD2-CB 3.78Å; L257-M315 HydrophobicContact CD2-CG 4.11Å
258	K	95.3	Very high	93.4	Very high	104 Å²	104	43.3 Å²	43.3	45%	0.452	22%	0.223	S	C	.	.	H	α-helix	trans	-58.9	-50.9	177.1	180	-177.9	166	-171.5	0	111.2	T254 T255 C260 Q261 E262 T278	T254-K258 WeakPolarHBondContact O-CB 3.45Å; T254-K258 PolarHBondContact O-N 2.78Å; T255-K258 PolarHBondContact O-N 3.25Å; K258-C260 VanDerWaalsContact C-N 3.31Å; K258-C260 PolarHBondContact O-N 2.98Å; K258-Q261 WeakPolarHBondContact O-CB 3.32Å; K258-Q261 PolarHBondContact O-N 3.04Å; K258-Q261 VanDerWaalsContact O-N 3.14Å; K258-E262 WeakPolarHBondContact CE-OE1 3.3Å; K258-E262 IonicContact NZ-OE1 3.98Å; K258-E262 WeakPolarHBondContact O-CG 3.5Å; K258-E262 PolarHBondContact O-N 2.78Å; K258-T278 PolarHBondContact NZ-O 3.48Å
259	V	95.1	Very high	93.1	Very high	10 Å²	10	49.7 Å²	49.7	6%	0.061	25%	0.253	C	S	.	.	H	α-helix	trans	-59.7	-42	178.6	170.6	0	0	0	0	111.7	R204 C207 T255 A256 Q261 E262 Y263 L280 W285	R204-V259 HydrophobicContact CG-CG1 4.3Å; C207-V259 HydrophobicContact CB-CG1 4.48Å; T255-V259 WeakPolarHBondContact O-CG2 3.47Å; T255-V259 PolarHBondContact O-N 2.77Å; A256-V259 PolarHBondContact O-N 2.99Å; V259-Q261 VanDerWaalsContact C-N 3.33Å; V259-E262 PolarHBondContact O-N 3.38Å; V259-Y263 WeakPolarHBondContact O-CB 3.35Å; V259-Y263 PolarHBondContact O-N 2.73Å; V259-L280 HydrophobicContact CG2-CD1 3.42Å; V259-L280 VanDerWaalsContact CG2-CD1 3.42Å; V259-W285 HydrophobicContact CG1-CH2 4.01Å; V259-W285 HydrophobicContact CG2-CH2 3.82Å; V259-W285 HydrophobicContact CG2-CZ2 4.18Å
260	C	96.4	Very high	92.6	Very high	4 Å²	4	54 Å²	54	3%	0.027	26%	0.261	C	S	.	.	H	α-helix	trans	-65.3	-38.7	177.9	-66.9	0	0	0	0	111.9	L211 A256 L257 K258 Y263 L264 M315 L319	L211-C260 HydrophobicContact CD1-CB 4.43Å; A256-C260 WeakPolarHBondContact O-CB 3.36Å; A256-C260 PolarHBondContact O-N 3.35Å; A256-C260 PolarHBondContact O-SG 3.36Å; L257-C260 PolarHBondContact O-N 2.81Å; K258-C260 VanDerWaalsContact C-N 3.31Å; K258-C260 PolarHBondContact O-N 2.98Å; C260-Y263 PolarHBondContact O-N 2.87Å; C260-L264 WeakPolarHBondContact O-CG 3.22Å; C260-L264 PolarHBondContact O-N 2.94Å; C260-L264 VanDerWaalsContact O-N 3.09Å; C260-M315 HydrophobicContact CB-CE 4.37Å; C260-M315 HydrophobicContact CB-CG 3.72Å; C260-M315 HydrophobicContact CB-SD 3.76Å; C260-L319 HydrophobicContact CB-CD1 4.06Å
261	Q	95.4	Very high	91.8	Very high	61 Å²	61	56.3 Å²	56.3	29%	0.285	27%	0.271	S	S	.	.	H	α-helix	trans	-66.3	-44.7	176.3	-177.5	55.9	48	0	0	111.5	L257 K258 V259 Y263 L264 E265 M315	L257-Q261 WeakPolarHBondContact O-CB 3.21Å; L257-Q261 PolarHBondContact O-N 2.99Å; K258-Q261 WeakPolarHBondContact O-CB 3.32Å; K258-Q261 PolarHBondContact O-N 3.04Å; K258-Q261 VanDerWaalsContact O-N 3.14Å; V259-Q261 VanDerWaalsContact C-N 3.33Å; Q261-Y263 VanDerWaalsContact C-N 3.3Å; Q261-Y263 PolarHBondContact O-N 3.39Å; Q261-L264 PolarHBondContact O-N 3.19Å; Q261-E265 WeakPolarHBondContact CG-OE1 3.44Å; Q261-E265 PolarHBondContact NE2-OE1 3.08Å; Q261-E265 WeakPolarHBondContact O-CG 3.4Å; Q261-E265 PolarHBondContact O-N 3.2Å; Q261-M315 HydrophobicContact CB-CE 3.81Å
262	E	92.2	Very high	91	Very high	44 Å²	44	56.7 Å²	56.7	21%	0.206	28%	0.276	C	S	.	.	H	α-helix	trans	-60.9	-39.2	175.5	-73	173.3	168.4	0	0	111.8	K258 V259 E265 S266	K258-E262 WeakPolarHBondContact CE-OE1 3.3Å; K258-E262 IonicContact NZ-OE1 3.98Å; K258-E262 WeakPolarHBondContact O-CG 3.5Å; K258-E262 PolarHBondContact O-N 2.78Å; V259-E262 PolarHBondContact O-N 3.38Å; E262-E265 PolarHBondContact O-N 2.99Å; E262-S266 PolarHBondContact O-N 3.11Å
263	Y	92.6	Very high	90.1	Very high	67 Å²	67	63.9 Å²	63.9	26%	0.263	31%	0.314	S	S	.	.	H	α-helix	trans	-61.9	-47	174.1	173.7	-116.3	0	0	0	111.9	V259 C260 Q261 E265 S266 L267 L319	V259-Y263 WeakPolarHBondContact O-CB 3.35Å; V259-Y263 PolarHBondContact O-N 2.73Å; C260-Y263 PolarHBondContact O-N 2.87Å; Q261-Y263 VanDerWaalsContact C-N 3.3Å; Q261-Y263 PolarHBondContact O-N 3.39Å; Y263-E265 VanDerWaalsContact C-N 3.26Å; Y263-E265 PolarHBondContact O-N 3.32Å; Y263-S266 PolarHBondContact O-N 2.94Å; Y263-S266 VanDerWaalsContact O-N 3.16Å; Y263-S266 PolarHBondContact O-OG 2.85Å; Y263-L267 HydrophobicContact CD1-CD1 4.46Å; Y263-L267 HydrophobicContact CE1-CD1 3.87Å; Y263-L267 HydrophobicContact CE2-CD1 4.3Å; Y263-L267 HydrophobicContact CE2-CD2 4.1Å; Y263-L267 HydrophobicContact CE2-CG 4.16Å; Y263-L267 PolarHBondContact O-N 3Å; Y263-L267 VanDerWaalsContact O-N 3.17Å; Y263-L319 HydrophobicContact CD1-CD2 3.92Å; Y263-L319 HydrophobicContact CE1-CD2 4.29Å
264	L	93.1	Very high	88.8	Confident	20 Å²	20	68.7 Å²	68.7	11%	0.105	34%	0.335	C	S	.	.	H	α-helix	trans	-58.7	-40.3	175.5	-70.7	173.6	0	0	0	111.9	C260 Q261 L267 E268 M315 K318 L319 V322	C260-L264 WeakPolarHBondContact O-CG 3.22Å; C260-L264 PolarHBondContact O-N 2.94Å; C260-L264 VanDerWaalsContact O-N 3.09Å; Q261-L264 PolarHBondContact O-N 3.19Å; L264-L267 PolarHBondContact O-N 2.91Å; L264-E268 PolarHBondContact O-N 3.04Å; L264-M315 HydrophobicContact CD1-SD 3.68Å; L264-K318 HydrophobicContact CD1-CB 3.76Å; L264-K318 HydrophobicContact CD1-CD 4.04Å; L264-L319 HydrophobicContact CD2-CD2 3.97Å; L264-L319 HydrophobicContact CG-CD2 4.1Å; L264-V322 HydrophobicContact CD2-CG2 3.73Å
265	E	91.6	Very high	87	Confident	34 Å²	34	68.2 Å²	68.2	16%	0.159	33%	0.334	C	S	.	.	H	α-helix	trans	-66	-36.3	177.1	-72.7	168	-169.5	0	0	112.8	Q261 E262 Y263 L267 E268 H269 R270 K274	Q261-E265 WeakPolarHBondContact CG-OE1 3.44Å; Q261-E265 PolarHBondContact NE2-OE1 3.08Å; Q261-E265 WeakPolarHBondContact O-CG 3.4Å; Q261-E265 PolarHBondContact O-N 3.2Å; E262-E265 PolarHBondContact O-N 2.99Å; Y263-E265 VanDerWaalsContact C-N 3.26Å; Y263-E265 PolarHBondContact O-N 3.32Å; E265-L267 VanDerWaalsContact C-N 3.32Å; E265-L267 PolarHBondContact O-N 3.22Å; E265-E268 CarbonylContact O-C 3.45Å; E265-E268 PolarHBondContact O-N 3.41Å; E265-H269 PolarHBondContact O-N 3.28Å; E265-H269 VanDerWaalsContact O-N 3.13Å; E265-R270 HydrophobicContact CB-CB 4.22Å; E265-R270 PolarHBondContact O-N 3.47Å; E265-K274 IonicContact OE2-NZ 3.71Å; E265-K274 PolarHBondContact OE2-NZ 3.31Å
266	S	90	Very high	85.2	Confident	36 Å²	36	73.4 Å²	73.4	25%	0.252	36%	0.36	S	S	.	.	H	α-helix	trans	-65.6	-34.2	175.2	73.3	0	0	0	0	113.2	E262 Y263 E268 H269 D271	E262-S266 PolarHBondContact O-N 3.11Å; Y263-S266 PolarHBondContact O-N 2.94Å; Y263-S266 VanDerWaalsContact O-N 3.16Å; Y263-S266 PolarHBondContact O-OG 2.85Å; S266-E268 PolarHBondContact O-N 2.89Å; S266-H269 PolarHBondContact O-N 2.97Å; S266-H269 VanDerWaalsContact O-N 3.13Å; S266-D271 WeakPolarHBondContact CA-OD1 3.33Å; S266-D271 WeakPolarHBondContact CB-OD2 3.44Å
267	L	87.3	Confident	83.1	Confident	77 Å²	77	81.7 Å²	81.7	40%	0.403	40%	0.399	S	S	.	.	H	α-helix	trans	-68.5	-27.6	175.1	-65.6	178.4	0	0	0	111.9	Y263 L264 E265 H269 V322	Y263-L267 HydrophobicContact CD1-CD1 4.46Å; Y263-L267 HydrophobicContact CE1-CD1 3.87Å; Y263-L267 HydrophobicContact CE2-CD1 4.3Å; Y263-L267 HydrophobicContact CE2-CD2 4.1Å; Y263-L267 HydrophobicContact CE2-CG 4.16Å; Y263-L267 PolarHBondContact O-N 3Å; Y263-L267 VanDerWaalsContact O-N 3.17Å; L264-L267 PolarHBondContact O-N 2.91Å; E265-L267 VanDerWaalsContact C-N 3.32Å; E265-L267 PolarHBondContact O-N 3.22Å; L267-H269 VanDerWaalsContact C-N 3.33Å; L267-V322 HydrophobicContact CD1-CB 3.79Å; L267-V322 HydrophobicContact CD1-CG1 4.16Å; L267-V322 HydrophobicContact CD1-CG2 3.75Å
268	E	88.4	Confident	81.3	Confident	102 Å²	102	83.2 Å²	83.2	48%	0.477	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	6.4	174.8	-63.3	-178.3	141.9	0	0	112.8	L264 E265 S266 R270	L264-E268 PolarHBondContact O-N 3.04Å; E265-E268 CarbonylContact O-C 3.45Å; E265-E268 PolarHBondContact O-N 3.41Å; S266-E268 PolarHBondContact O-N 2.89Å; E268-R270 HydrophobicContact CB-CG 3.96Å; E268-R270 VanDerWaalsContact CD-NH2 3.27Å; E268-R270 PolarHBondContact O-N 3.47Å; E268-R270 IonicContact OE1-CZ 3.4Å; E268-R270 IonicContact OE1-NH2 3.85Å; E268-R270 PolarHBondContact OE1-NH2 3.34Å; E268-R270 IonicContact OE2-CZ 3.95Å; E268-R270 IonicContact OE2-NE 2.78Å; E268-R270 PolarHBondContact OE2-NE 3.49Å; E268-R270 VanDerWaalsContact OE2-NE 3.13Å; E268-R270 IonicContact OE2-NH1 2.74Å; E268-R270 PolarHBondContact OE2-NH1 3.01Å; E268-R270 VanDerWaalsContact OE2-NH1 3.13Å; E268-R270 IonicContact OE2-NH2 3.25Å; E268-R270 PolarHBondContact OE2-NH2 2.89Å
269	H	86.1	Confident	80.3	Confident	137 Å²	137	83.2 Å²	83.2	63%	0.634	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	27.2	-177.7	-55.3	-51.5	0	0	0	114.2	E265 S266 L267 D271 I272	E265-H269 PolarHBondContact O-N 3.28Å; E265-H269 VanDerWaalsContact O-N 3.13Å; S266-H269 PolarHBondContact O-N 2.97Å; S266-H269 VanDerWaalsContact O-N 3.13Å; L267-H269 VanDerWaalsContact C-N 3.33Å; H269-D271 VanDerWaalsContact C-N 3.27Å; H269-I272 HydrophobicContact CB-CD1 3.82Å; H269-I272 HydrophobicContact CB-CG1 4.4Å
270	R	79.6	Confident	79.8	Confident	155 Å²	155	84.5 Å²	84.5	59%	0.585	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	3.8	179.2	-62	-172.8	-172.9	161.3	16.9	113.4	E265 E268 K274	E265-R270 HydrophobicContact CB-CB 4.22Å; E265-R270 PolarHBondContact O-N 3.47Å; E268-R270 HydrophobicContact CB-CG 3.96Å; E268-R270 VanDerWaalsContact CD-NH2 3.27Å; E268-R270 PolarHBondContact O-N 3.47Å; E268-R270 IonicContact OE1-CZ 3.4Å; E268-R270 IonicContact OE1-NH2 3.85Å; E268-R270 PolarHBondContact OE1-NH2 3.34Å; E268-R270 IonicContact OE2-CZ 3.95Å; E268-R270 IonicContact OE2-NE 2.78Å; E268-R270 PolarHBondContact OE2-NE 3.49Å; E268-R270 VanDerWaalsContact OE2-NE 3.13Å; E268-R270 IonicContact OE2-NH1 2.74Å; E268-R270 PolarHBondContact OE2-NH1 3.01Å; E268-R270 VanDerWaalsContact OE2-NH1 3.13Å; E268-R270 IonicContact OE2-NH2 3.25Å; E268-R270 PolarHBondContact OE2-NH2 2.89Å; R270-K274 WeakPolarHBondContact O-CE 3.28Å
271	D	76.3	Confident	79.4	Confident	70 Å²	70	87.8 Å²	87.8	37%	0.374	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-13.9	179.5	62.9	-37.2	0	0	0	113.3	S266 H269 D273 K274	S266-D271 WeakPolarHBondContact CA-OD1 3.33Å; S266-D271 WeakPolarHBondContact CB-OD2 3.44Å; H269-D271 VanDerWaalsContact C-N 3.27Å; D271-D273 PolarHBondContact O-N 3.04Å; D271-D273 VanDerWaalsContact O-N 3.16Å; D271-K274 PolarHBondContact O-N 3.29Å
272	I	75	Confident	79.2	Confident	122 Å²	122	90 Å²	90	63%	0.626	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-38.3	-175.3	-65.4	176.7	0	0	0	112.5	H269	H269-I272 HydrophobicContact CB-CD1 3.82Å; H269-I272 HydrophobicContact CB-CG1 4.4Å
273	D	75.3	Confident	79.1	Confident	161 Å²	161	95.4 Å²	95.4	86%	0.861	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	5.8	-175.6	-59.5	-43.5	0	0	0	113.6	D271	D271-D273 PolarHBondContact O-N 3.04Å; D271-D273 VanDerWaalsContact O-N 3.16Å
274	K	68.7	Low	79.2	Confident	100 Å²	100	97.1 Å²	97.1	44%	0.435	49%	0.486	S	S	.	.	S	Bend	trans	-88.8	139.2	-178.6	-64.6	-172.3	178.5	-172.3	0	111.2	E265 R270 D271	E265-K274 IonicContact OE2-NZ 3.71Å; E265-K274 PolarHBondContact OE2-NZ 3.31Å; R270-K274 WeakPolarHBondContact O-CE 3.28Å; D271-K274 PolarHBondContact O-N 3.29Å
275	S	59	Low	79.3	Confident	65 Å²	65	97.4 Å²	97.4	46%	0.455	49%	0.486	S	S	.	.			trans	-65.5	145.6	173	68.4	0	0	0	0	110.5	E277 T278	S275-E277 PolarHBondContact O-N 2.56Å; S275-E277 PolarHBondContact OG-OE2 3.02Å; S275-T278 PolarHBondContact O-N 3.32Å; S275-T278 PolarHBondContact O-OG1 3Å
276	L	57.3	Low	79.4	Confident	147 Å²	147	100.7 Å²	100.7	77%	0.77	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-59.3	-5.8	177	-80.6	159.6	0	0	0	114	T278 L279	L276-T278 PolarHBondContact O-N 3.29Å; L276-L279 HydrophobicContact CD2-CD1 3.67Å; L276-L279 PolarHBondContact O-N 3.3Å
277	E	53.5	Low	79.7	Confident	174 Å²	174	100.8 Å²	100.8	81%	0.813	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-70.4	-13.3	-178.8	-64.2	168.5	151.2	0	0	113.5	S275 L279	S275-E277 PolarHBondContact O-N 2.56Å; S275-E277 PolarHBondContact OG-OE2 3.02Å; E277-L279 VanDerWaalsContact C-N 3.34Å
278	T	59.5	Low	80.1	Confident	57 Å²	57	97.6 Å²	97.6	35%	0.35	49%	0.49	S	S	.	.	G	3₁₀ helix	trans	-80.2	-13.7	178.2	51.6	0	0	0	0	114.1	K258 S275 L276	K258-T278 PolarHBondContact NZ-O 3.48Å; S275-T278 PolarHBondContact O-N 3.32Å; S275-T278 PolarHBondContact O-OG1 3Å; L276-T278 PolarHBondContact O-N 3.29Å
279	L	73.4	Confident	80.5	Confident	105 Å²	105	93.2 Å²	93.2	55%	0.55	47%	0.47	S	S	.	.	S	Bend	trans	-77.1	133.9	-177	-66.4	171.6	0	0	0	111.9	L276 E277 T281	L276-L279 HydrophobicContact CD2-CD1 3.67Å; L276-L279 PolarHBondContact O-N 3.3Å; E277-L279 VanDerWaalsContact C-N 3.34Å; L279-T281 PolarHBondContact O-N 3.26Å
280	L	85.1	Confident	81	Confident	37 Å²	37	90.8 Å²	90.8	19%	0.194	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-57.6	131.2	171.4	-76.2	152.4	0	0	0	110.5	T255 V259 Q284 W285	T255-L280 HydrophobicContact CG2-CD1 3.87Å; T255-L280 HydrophobicContact CG2-CD2 3.97Å; V259-L280 HydrophobicContact CG2-CD1 3.42Å; V259-L280 VanDerWaalsContact CG2-CD1 3.42Å; L280-Q284 HydrophobicContact CB-CB 4.35Å; L280-Q284 HydrophobicContact CD2-CB 3.67Å; L280-Q284 HydrophobicContact CD2-CG 4.4Å; L280-W285 HydrophobicContact CB-CD2 4.3Å; L280-W285 HydrophobicContact CB-CG 4.28Å; L280-W285 HydrophobicContact CB-CZ2 4.32Å; L280-W285 HydrophobicContact CD1-CD2 4.25Å; L280-W285 HydrophobicContact CD1-CE3 4.49Å; L280-W285 HydrophobicContact CD1-CH2 3.85Å; L280-W285 HydrophobicContact CD1-CZ2 3.56Å; L280-W285 HydrophobicContact CD1-CZ3 4.3Å
281	T	89.3	Confident	81.8	Confident	72 Å²	72	84.6 Å²	84.6	44%	0.442	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-67.3	164.2	173.8	73	0	0	0	0	111.1	L279 E283 Q284 W285	L279-T281 PolarHBondContact O-N 3.26Å; T281-E283 VanDerWaalsContact C-N 3.27Å; T281-E283 PolarHBondContact O-N 3.45Å; T281-Q284 PolarHBondContact O-N 3.48Å; T281-Q284 WeakPolarHBondContact OG1-CG 3.38Å; T281-Q284 PolarHBondContact OG1-N 3.09Å; T281-W285 PolarHBondContact O-N 3.48Å
282	Q	89.3	Confident	82.8	Confident	108 Å²	108	81.3 Å²	81.3	51%	0.505	42%	0.424	S	S	.	.	H	α-helix	trans	-56.8	-41.6	177.2	-178.6	62	23.6	0	0	112.4	R203 W285 E286	R203-Q282 VanDerWaalsContact NH2-CD 3.34Å; Q282-W285 WeakPolarHBondContact O-CB 3.38Å; Q282-W285 PolarHBondContact O-N 3.49Å; Q282-E286 PolarHBondContact NE2-OE1 2.95Å; Q282-E286 WeakPolarHBondContact O-CG 3.27Å; Q282-E286 PolarHBondContact O-N 3.44Å
283	E	91.2	Very high	83.8	Confident	158 Å²	158	76.2 Å²	76.2	74%	0.738	40%	0.397	S	S	*	.	H	α-helix	trans	-65.9	-42.5	178.1	-174.8	178.9	-172.2	0	0	111.8	T281 W285 E286 G287	T281-E283 VanDerWaalsContact C-N 3.27Å; T281-E283 PolarHBondContact O-N 3.45Å; E283-W285 VanDerWaalsContact C-N 3.29Å; E283-W285 PolarHBondContact O-N 3.22Å; E283-E286 PolarHBondContact O-N 2.8Å; E283-G287 PolarHBondContact O-N 3.19Å
284	Q	93.6	Very high	84.8	Confident	102 Å²	102	72.4 Å²	72.4	48%	0.477	38%	0.377	S	S	.	.	H	α-helix	trans	-62.2	-38.8	175.3	-70.6	173.6	-35	0	0	111.5	L280 T281 G287 F288	L280-Q284 HydrophobicContact CB-CB 4.35Å; L280-Q284 HydrophobicContact CD2-CB 3.67Å; L280-Q284 HydrophobicContact CD2-CG 4.4Å; T281-Q284 PolarHBondContact O-N 3.48Å; T281-Q284 WeakPolarHBondContact OG1-CG 3.38Å; T281-Q284 PolarHBondContact OG1-N 3.09Å; Q284-G287 PolarHBondContact O-N 3.16Å; Q284-F288 WeakPolarHBondContact O-CB 3.37Å; Q284-F288 PolarHBondContact O-N 3.04Å
285	W	95.3	Very high	86	Confident	27 Å²	27	67.8 Å²	67.8	10%	0.102	36%	0.357	C	S	.	.	H	α-helix	trans	-64.4	-40.4	174	-87.5	118.7	0	0	0	113.1	R203 V259 L280 T281 Q282 E283 F288 L289	R203-W285 HydrophobicContact CB-CD2 4.36Å; R203-W285 HydrophobicContact CB-CE3 3.94Å; R203-W285 HydrophobicContact CB-CH2 3.73Å; R203-W285 HydrophobicContact CB-CZ2 4.14Å; R203-W285 HydrophobicContact CB-CZ3 3.62Å; R203-W285 VanDerWaalsContact CD-CD2 3.49Å; R203-W285 HydrophobicContact CG-CD2 3.91Å; R203-W285 HydrophobicContact CG-CE3 3.67Å; R203-W285 HydrophobicContact CG-CH2 4.33Å; R203-W285 HydrophobicContact CG-CZ3 3.91Å; R203-W285 VanDerWaalsContact CZ-CD1 3.5Å; R203-W285 VanDerWaalsContact CZ-CG 3.45Å; R203-W285 VanDerWaalsContact NE-CG 3.35Å; V259-W285 HydrophobicContact CG1-CH2 4.01Å; V259-W285 HydrophobicContact CG2-CH2 3.82Å; V259-W285 HydrophobicContact CG2-CZ2 4.18Å; L280-W285 HydrophobicContact CB-CD2 4.3Å; L280-W285 HydrophobicContact CB-CG 4.28Å; L280-W285 HydrophobicContact CB-CZ2 4.32Å; L280-W285 HydrophobicContact CD1-CD2 4.25Å; L280-W285 HydrophobicContact CD1-CE3 4.49Å; L280-W285 HydrophobicContact CD1-CH2 3.85Å; L280-W285 HydrophobicContact CD1-CZ2 3.56Å; L280-W285 HydrophobicContact CD1-CZ3 4.3Å; T281-W285 PolarHBondContact O-N 3.48Å; Q282-W285 WeakPolarHBondContact O-CB 3.38Å; Q282-W285 PolarHBondContact O-N 3.49Å; E283-W285 VanDerWaalsContact C-N 3.29Å; E283-W285 PolarHBondContact O-N 3.22Å; W285-F288 HydrophobicContact CE3-CB 4.43Å; W285-F288 AromaticContact CE3-CD1 3.94Å; W285-F288 HydrophobicContact CE3-CD1 3.94Å; W285-F288 HydrophobicContact CE3-CG 4.43Å; W285-F288 AromaticContact CZ3-CD1 3.74Å; W285-F288 HydrophobicContact CZ3-CD1 3.74Å; W285-F288 HydrophobicContact CZ3-CE1 4.15Å; W285-F288 HydrophobicContact CZ3-CG 4.36Å; W285-F288 PolarHBondContact O-N 2.74Å; W285-L289 WeakPolarHBondContact O-CB 3.49Å; W285-L289 VanDerWaalsContact O-CG 3.29Å; W285-L289 WeakPolarHBondContact O-CG 3.43Å; W285-L289 PolarHBondContact O-N 3.06Å
286	E	94.4	Very high	87.6	Confident	103 Å²	103	65.6 Å²	65.6	48%	0.481	34%	0.343	S	S	.	.	H	α-helix	trans	-65.1	-43	176.4	-73.7	170.9	-164.8	0	0	111.2	Q282 E283 L289 N290	Q282-E286 PolarHBondContact NE2-OE1 2.95Å; Q282-E286 WeakPolarHBondContact O-CG 3.27Å; Q282-E286 PolarHBondContact O-N 3.44Å; E283-E286 PolarHBondContact O-N 2.8Å; E286-L289 PolarHBondContact O-N 3.17Å; E286-N290 WeakPolarHBondContact O-CB 3.35Å; E286-N290 PolarHBondContact O-N 3.14Å; E286-N290 PolarHBondContact O-ND2 3.36Å
287	G	95.6	Very high	89.2	Confident	37 Å²	37	61.9 Å²	61.9	38%	0.381	32%	0.321	S	S	.	.	H	α-helix	trans	-60.6	-45.1	172.8	0	0	0	0	0	113	E283 Q284 N290 S291	E283-G287 PolarHBondContact O-N 3.19Å; Q284-G287 PolarHBondContact O-N 3.16Å; G287-N290 PolarHBondContact O-N 3.39Å; G287-S291 PolarHBondContact O-N 3.44Å; G287-S291 VanDerWaalsContact O-N 3.09Å; G287-S291 PolarHBondContact O-OG 3.1Å
288	F	97	Very high	90.9	Very high	10 Å²	10	55.9 Å²	55.9	4%	0.044	31%	0.306	C	S	.	.	H	α-helix	trans	-61.5	-49.4	175.4	175.6	-92.5	0	0	0	111.7	A206 C207 L210 T252 T255 A256 Q284 W285 N290 S291 Y292	A206-F288 HydrophobicContact CB-CE1 4.13Å; C207-F288 HydrophobicContact CB-CZ 4.29Å; C207-F288 VanDerWaalsContact SG-CZ 3.52Å; L210-F288 HydrophobicContact CD2-CE2 4.17Å; L210-F288 HydrophobicContact CD2-CZ 4.29Å; T252-F288 HydrophobicContact CG2-CD2 3.8Å; T252-F288 HydrophobicContact CG2-CE2 3.71Å; T252-F288 WeakPolarHBondContact O-CE2 3.5Å; T255-F288 HydrophobicContact CG2-CD2 3.94Å; T255-F288 HydrophobicContact CG2-CE2 4.43Å; A256-F288 HydrophobicContact CB-CE2 4.04Å; A256-F288 HydrophobicContact CB-CZ 4.13Å; Q284-F288 WeakPolarHBondContact O-CB 3.37Å; Q284-F288 PolarHBondContact O-N 3.04Å; W285-F288 HydrophobicContact CE3-CB 4.43Å; W285-F288 AromaticContact CE3-CD1 3.94Å; W285-F288 HydrophobicContact CE3-CD1 3.94Å; W285-F288 HydrophobicContact CE3-CG 4.43Å; W285-F288 AromaticContact CZ3-CD1 3.74Å; W285-F288 HydrophobicContact CZ3-CD1 3.74Å; W285-F288 HydrophobicContact CZ3-CE1 4.15Å; W285-F288 HydrophobicContact CZ3-CG 4.36Å; W285-F288 PolarHBondContact O-N 2.74Å; F288-N290 VanDerWaalsContact C-N 3.34Å; F288-N290 PolarHBondContact O-N 2.76Å; F288-S291 WeakPolarHBondContact O-CB 3.3Å; F288-S291 PolarHBondContact O-N 2.85Å; F288-Y292 PolarHBondContact O-N 2.67Å
289	L	97.2	Very high	92.1	Very high	11 Å²	11	54.7 Å²	54.7	6%	0.058	31%	0.305	C	S	.	.	H	α-helix	trans	-63.7	-39.3	-179.1	-75	178	0	0	0	111.8	Y202 R203 A206 W285 E286 S291 Y292 Y293 L354	Y202-L289 HydrophobicContact CD1-CD2 4.38Å; Y202-L289 HydrophobicContact CE1-CD2 4.03Å; R203-L289 HydrophobicContact CG-CD1 4.47Å; A206-L289 HydrophobicContact CB-CD2 3.8Å; W285-L289 WeakPolarHBondContact O-CB 3.49Å; W285-L289 VanDerWaalsContact O-CG 3.29Å; W285-L289 WeakPolarHBondContact O-CG 3.43Å; W285-L289 PolarHBondContact O-N 3.06Å; E286-L289 PolarHBondContact O-N 3.17Å; L289-S291 VanDerWaalsContact C-N 3.34Å; L289-S291 PolarHBondContact O-N 2.71Å; L289-Y292 WeakPolarHBondContact O-CB 3.43Å; L289-Y292 PolarHBondContact O-N 2.7Å; L289-Y293 HydrophobicContact CB-CD2 4.49Å; L289-Y293 HydrophobicContact CB-CE2 3.91Å; L289-Y293 WeakPolarHBondContact O-CD2 3.3Å; L289-Y293 PolarHBondContact O-N 2.92Å; L289-L354 HydrophobicContact CD1-CD2 4Å
290	N	95.9	Very high	92.9	Very high	85 Å²	85	49.7 Å²	49.7	46%	0.455	28%	0.279	S	S	.	.	H	α-helix	trans	-60	-44.9	174	-74.9	-27.9	0	0	0	111.7	E286 G287 F288 Y293 L294	E286-N290 WeakPolarHBondContact O-CB 3.35Å; E286-N290 PolarHBondContact O-N 3.14Å; E286-N290 PolarHBondContact O-ND2 3.36Å; G287-N290 PolarHBondContact O-N 3.39Å; F288-N290 VanDerWaalsContact C-N 3.34Å; F288-N290 PolarHBondContact O-N 2.76Å; N290-Y293 PolarHBondContact O-N 3.05Å; N290-L294 WeakPolarHBondContact O-CG 3.43Å; N290-L294 PolarHBondContact O-N 2.92Å
291	S	96.3	Very high	93.1	Very high	25 Å²	25	51.1 Å²	51.1	18%	0.175	29%	0.285	C	S	.	.	H	α-helix	trans	-61.2	-45.9	175.2	-60.3	0	0	0	0	111.6	G287 F288 L289 Y293 L294 V295	G287-S291 PolarHBondContact O-N 3.44Å; G287-S291 VanDerWaalsContact O-N 3.09Å; G287-S291 PolarHBondContact O-OG 3.1Å; F288-S291 WeakPolarHBondContact O-CB 3.3Å; F288-S291 PolarHBondContact O-N 2.85Å; L289-S291 VanDerWaalsContact C-N 3.34Å; L289-S291 PolarHBondContact O-N 2.71Å; S291-Y293 PolarHBondContact O-N 3.04Å; S291-L294 PolarHBondContact O-N 3.05Å; S291-V295 WeakPolarHBondContact O-CG2 3.5Å; S291-V295 PolarHBondContact O-N 3.17Å; S291-V295 VanDerWaalsContact O-N 3.14Å
292	Y	97.1	Very high	93.3	Very high	1 Å²	1	48.1 Å²	48.1	0%	0.004	27%	0.266	C	S	.	.	H	α-helix	trans	-57.4	-47.5	174.3	165	-101.1	0	0	0	112.1	A206 L210 F288 L289 L294 V295 A296 T331 Q332 N333	A206-Y292 HydrophobicContact CB-CD1 3.89Å; A206-Y292 HydrophobicContact CB-CD2 4.19Å; A206-Y292 HydrophobicContact CB-CE1 4.04Å; A206-Y292 HydrophobicContact CB-CE2 4.33Å; A206-Y292 HydrophobicContact CB-CG 3.98Å; L210-Y292 HydrophobicContact CB-CD2 4.33Å; L210-Y292 HydrophobicContact CD1-CD2 4.49Å; F288-Y292 PolarHBondContact O-N 2.67Å; L289-Y292 WeakPolarHBondContact O-CB 3.43Å; L289-Y292 PolarHBondContact O-N 2.7Å; Y292-L294 VanDerWaalsContact C-N 3.33Å; Y292-L294 PolarHBondContact O-N 3.47Å; Y292-V295 PolarHBondContact O-N 3.34Å; Y292-V295 VanDerWaalsContact O-N 3.16Å; Y292-A296 HydrophobicContact CD2-CB 4.2Å; Y292-A296 HydrophobicContact CE1-CB 4.29Å; Y292-A296 HydrophobicContact CE2-CB 3.65Å; Y292-A296 WeakPolarHBondContact O-CB 3.31Å; Y292-A296 PolarHBondContact O-N 2.92Å; Y292-T331 PolarHBondContact OH-O 2.99Å; Y292-T331 VanDerWaalsContact OH-O 3.05Å; Y292-Q332 PolarHBondContact OH-O 2.79Å; Y292-N333 HydrophobicContact CE1-CB 4.23Å; Y292-N333 WeakPolarHBondContact OH-CB 3.34Å; Y292-N333 PolarHBondContact OH-N 2.82Å
293	Y	96.9	Very high	93.3	Very high	15 Å²	15	46.1 Å²	46.1	6%	0.059	26%	0.256	C	S	.	.	H	α-helix	trans	-63.3	-38.3	179.1	-62.9	-41.5	0	0	0	112.5	Y202 L289 N290 S291 V295 H297 G298 R353 L354	Y202-Y293 WeakPolarHBondContact CE1-OH 3.36Å; Y202-Y293 VanDerWaalsContact OH-CE1 3.3Å; Y202-Y293 WeakPolarHBondContact OH-CE1 3.47Å; Y202-Y293 PolarHBondContact OH-OH 2.94Å; Y202-Y293 VanDerWaalsContact OH-OH 3.1Å; L289-Y293 HydrophobicContact CB-CD2 4.49Å; L289-Y293 HydrophobicContact CB-CE2 3.91Å; L289-Y293 WeakPolarHBondContact O-CD2 3.3Å; L289-Y293 PolarHBondContact O-N 2.92Å; N290-Y293 PolarHBondContact O-N 3.05Å; S291-Y293 PolarHBondContact O-N 3.04Å; Y293-V295 VanDerWaalsContact C-N 3.29Å; Y293-V295 PolarHBondContact O-N 3.44Å; Y293-H297 AromaticContact CD1-CD2 3.63Å; Y293-H297 AromaticContact CD1-NE2 3.63Å; Y293-H297 WeakPolarHBondContact O-CA 3.39Å; Y293-H297 WeakPolarHBondContact O-CB 3.19Å; Y293-H297 PolarHBondContact O-N 2.71Å; Y293-G298 PolarHBondContact O-N 2.93Å; Y293-G298 VanDerWaalsContact O-N 3.11Å; Y293-R353 HydrophobicContact CD1-CG 4.34Å; Y293-R353 HydrophobicContact CE1-CB 4.49Å; Y293-R353 HydrophobicContact CE1-CG 4.11Å; Y293-L354 PolarHBondContact OH-N 3.46Å
294	L	95.3	Very high	93.1	Very high	81 Å²	81	43.8 Å²	43.8	42%	0.424	24%	0.244	S	C	.	.	H	α-helix	trans	-61	-40.4	175.1	-72.7	172.6	0	0	0	111.2	V248 N290 S291 Y292 G298 G299 A300	V248-L294 HydrophobicContact CG2-CB 4.11Å; V248-L294 HydrophobicContact CG2-CD1 4.47Å; N290-L294 WeakPolarHBondContact O-CG 3.43Å; N290-L294 PolarHBondContact O-N 2.92Å; S291-L294 PolarHBondContact O-N 3.05Å; Y292-L294 VanDerWaalsContact C-N 3.33Å; Y292-L294 PolarHBondContact O-N 3.47Å; L294-G298 CarbonylContact O-C 3.45Å; L294-G298 WeakPolarHBondContact O-CA 3.27Å; L294-G298 PolarHBondContact O-N 3.3Å; L294-G299 PolarHBondContact O-N 3.43Å; L294-G299 VanDerWaalsContact O-N 3.1Å; L294-A300 VanDerWaalsContact C-CB 3.43Å; L294-A300 HydrophobicContact CB-CB 3.88Å; L294-A300 WeakPolarHBondContact O-CB 3.38Å; L294-A300 PolarHBondContact O-N 2.93Å
295	V	93.9	Very high	92.9	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.018	23%	0.226	C	C	.	.	H	α-helix	trans	-72.4	-59.6	176.9	178.6	0	0	0	0	111.2	L210 Y213 V248 S291 Y292 Y293 H297 G299 A300 I302	L210-V295 HydrophobicContact CD1-CB 4.2Å; L210-V295 HydrophobicContact CD1-CG1 4.05Å; L210-V295 HydrophobicContact CD1-CG2 4.32Å; Y213-V295 HydrophobicContact CD1-CG1 3.49Å; Y213-V295 VanDerWaalsContact CD1-CG1 3.49Å; Y213-V295 HydrophobicContact CD2-CG1 4.18Å; Y213-V295 HydrophobicContact CE1-CG1 3.34Å; Y213-V295 HydrophobicContact CE2-CG1 4.04Å; Y213-V295 HydrophobicContact CG-CG1 3.93Å; V248-V295 HydrophobicContact CB-CG2 4.02Å; V248-V295 HydrophobicContact CG1-CG2 4.16Å; V248-V295 HydrophobicContact CG2-CG2 3.83Å; S291-V295 WeakPolarHBondContact O-CG2 3.5Å; S291-V295 PolarHBondContact O-N 3.17Å; S291-V295 VanDerWaalsContact O-N 3.14Å; Y292-V295 PolarHBondContact O-N 3.34Å; Y292-V295 VanDerWaalsContact O-N 3.16Å; Y293-V295 VanDerWaalsContact C-N 3.29Å; Y293-V295 PolarHBondContact O-N 3.44Å; V295-H297 VanDerWaalsContact C-N 3.34Å; V295-H297 PolarHBondContact O-N 2.91Å; V295-G299 PolarHBondContact O-N 3.25Å; V295-A300 HydrophobicContact CG2-CB 4.37Å; V295-I302 HydrophobicContact CG1-CD1 4.18Å; V295-I302 HydrophobicContact CG1-CG1 4.29Å; V295-I302 HydrophobicContact CG2-CD1 4.26Å; V295-I302 HydrophobicContact CG2-CG1 3.74Å
296	A	92.4	Very high	92.7	Very high	19 Å²	19	43.7 Å²	43.7	16%	0.157	25%	0.246	C	C	.	.	H	α-helix	trans	-71.2	-24.8	-169.8	0	0	0	0	0	113.9	Y292	Y292-A296 HydrophobicContact CD2-CB 4.2Å; Y292-A296 HydrophobicContact CE1-CB 4.29Å; Y292-A296 HydrophobicContact CE2-CB 3.65Å; Y292-A296 WeakPolarHBondContact O-CB 3.31Å; Y292-A296 PolarHBondContact O-N 2.92Å
297	H	92	Very high	92.6	Very high	70 Å²	70	44.1 Å²	44.1	32%	0.324	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.7	-28.4	-176.2	-48.1	-34.2	0	0	0	113.1	Y293 V295 Q332	Y293-H297 AromaticContact CD1-CD2 3.63Å; Y293-H297 AromaticContact CD1-NE2 3.63Å; Y293-H297 WeakPolarHBondContact O-CA 3.39Å; Y293-H297 WeakPolarHBondContact O-CB 3.19Å; Y293-H297 PolarHBondContact O-N 2.71Å; V295-H297 VanDerWaalsContact C-N 3.34Å; V295-H297 PolarHBondContact O-N 2.91Å; H297-Q332 PolarHBondContact CE1-O 2.84Å; H297-Q332 VanDerWaalsContact CE1-O 3.31Å
298	G	87.3	Confident	92.6	Very high	47 Å²	47	44 Å²	44	49%	0.485	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-6	-178.7	0	0	0	0	0	115	Y293 L294 A300	Y293-G298 PolarHBondContact O-N 2.93Å; Y293-G298 VanDerWaalsContact O-N 3.11Å; L294-G298 CarbonylContact O-C 3.45Å; L294-G298 WeakPolarHBondContact O-CA 3.27Å; L294-G298 PolarHBondContact O-N 3.3Å; G298-A300 PolarHBondContact O-N 3.38Å
299	G	85.9	Confident	92.5	Very high	33 Å²	33	44.5 Å²	44.5	34%	0.34	25%	0.245	S	C	.	.			trans	67.5	22.3	-177.5	0	0	0	0	0	114.1	L294 V295	L294-G299 PolarHBondContact O-N 3.43Å; L294-G299 VanDerWaalsContact O-N 3.1Å; V295-G299 PolarHBondContact O-N 3.25Å
300	A	90.8	Very high	92.5	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-65.8	151	175.7	0	0	0	0	0	111.7	P246 V248 L294 V295 G298	P246-A300 HydrophobicContact CB-CB 3.91Å; P246-A300 HydrophobicContact CG-CB 4.42Å; P246-A300 CarbonylContact O-C 3.59Å; P246-A300 WeakPolarHBondContact O-CA 3.36Å; P246-A300 WeakPolarHBondContact O-CB 3.4Å; V248-A300 HydrophobicContact CG2-CB 3.86Å; L294-A300 VanDerWaalsContact C-CB 3.43Å; L294-A300 HydrophobicContact CB-CB 3.88Å; L294-A300 WeakPolarHBondContact O-CB 3.38Å; L294-A300 PolarHBondContact O-N 2.93Å; V295-A300 HydrophobicContact CG2-CB 4.37Å; G298-A300 PolarHBondContact O-N 3.38Å
301	H	88.9	Confident	92.5	Very high	67 Å²	67	47.4 Å²	47.4	31%	0.31	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	142.5	176.4	-74.1	-107.5	0	0	0	110.2	K217 K245 P246 L247 V248	K217-H301 PolarHBondContact NZ-ND1 2.78Å; K245-H301 VanDerWaalsContact CD-NE2 3.27Å; K245-H301 WeakPolarHBondContact CD-NE2 3.42Å; P246-H301 PolarHBondContact O-N 3.4Å; L247-H301 CarbonylContact C-O 3.44Å; L247-H301 WeakPolarHBondContact CA-O 3.31Å; L247-H301 HydrophobicContact CD1-CB 4.37Å; V248-H301 PolarHBondContact N-O 3.2Å
302	I	92.1	Very high	92.6	Very high	8 Å²	8	46.2 Å²	46.2	4%	0.041	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	132.9	172	-58.3	167.8	0	0	0	108.1	L210 Y213 V214 V248 V253 V295 K304	L210-I302 HydrophobicContact CD1-CD1 3.78Å; L210-I302 HydrophobicContact CG-CD1 4.35Å; Y213-I302 HydrophobicContact CD1-CD1 4.34Å; V214-I302 HydrophobicContact CG2-CD1 3.78Å; V248-I302 WeakPolarHBondContact O-CA 3.22Å; V253-I302 HydrophobicContact CG2-CD1 4.01Å; V253-I302 HydrophobicContact CG2-CG2 3.73Å; V295-I302 HydrophobicContact CG1-CD1 4.18Å; V295-I302 HydrophobicContact CG1-CG1 4.29Å; V295-I302 HydrophobicContact CG2-CD1 4.26Å; V295-I302 HydrophobicContact CG2-CG1 3.74Å; I302-K304 PolarHBondContact O-N 2.68Å
303	E	90.1	Very high	92.6	Very high	66 Å²	66	51.5 Å²	51.5	31%	0.308	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	130.2	174.7	-174.9	-175	166.4	0	0	111	L247 V248 S250 S305	L247-E303 HydrophobicContact CD1-CB 4.21Å; L247-E303 HydrophobicContact CD2-CB 4.4Å; L247-E303 HydrophobicContact CG-CB 4.38Å; V248-E303 PolarHBondContact O-N 2.95Å; S250-E303 WeakPolarHBondContact CB-O 3.43Å; E303-S305 PolarHBondContact O-N 3.37Å; E303-S305 VanDerWaalsContact O-N 3.12Å
304	K	87.9	Confident	92.6	Very high	109 Å²	109	52.9 Å²	52.9	47%	0.474	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	37.1	174.2	-64	164.4	-171.1	148.6	0	113.8	I302 E306 N307 F308	I302-K304 PolarHBondContact O-N 2.68Å; K304-E306 VanDerWaalsContact C-OE2 3.26Å; K304-E306 WeakPolarHBondContact CA-OE1 3.43Å; K304-E306 PolarHBondContact O-N 3.11Å; K304-N307 WeakPolarHBondContact O-CB 3.44Å; K304-N307 PolarHBondContact O-N 3.15Å; K304-N307 VanDerWaalsContact O-N 3.12Å; K304-F308 WeakPolarHBondContact O-CD2 3.5Å
305	S	89.1	Confident	92.8	Very high	14 Å²	14	49.8 Å²	49.8	10%	0.098	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-56.9	-31	-176.7	52.4	0	0	0	0	114.1	E303 N307 F308	E303-S305 PolarHBondContact O-N 3.37Å; E303-S305 VanDerWaalsContact O-N 3.12Å; S305-N307 PolarHBondContact O-N 3.05Å; S305-F308 PolarHBondContact O-N 2.96Å
306	E	89.9	Confident	92.9	Very high	114 Å²	114	50.6 Å²	50.6	53%	0.533	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-56	-33.9	177.4	57.2	-81.4	-173.2	0	0	112.6	K304 F308 V309	K304-E306 VanDerWaalsContact C-OE2 3.26Å; K304-E306 WeakPolarHBondContact CA-OE1 3.43Å; K304-E306 PolarHBondContact O-N 3.11Å; E306-F308 PolarHBondContact O-N 3.28Å; E306-V309 PolarHBondContact O-N 3.3Å
307	N	93.5	Very high	93.1	Very high	111 Å²	111	54.8 Å²	54.8	59%	0.594	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-68.6	-16.9	179.7	-66.6	-16.9	0	0	0	113	K304 S305	K304-N307 WeakPolarHBondContact O-CB 3.44Å; K304-N307 PolarHBondContact O-N 3.15Å; K304-N307 VanDerWaalsContact O-N 3.12Å; S305-N307 PolarHBondContact O-N 3.05Å
308	F	94.8	Very high	93.4	Very high	36 Å²	36	56.5 Å²	56.5	16%	0.158	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-104.6	-8.9	-174.8	-61.9	-87.6	0	0	0	113.5	V253 L257 K304 S305 E306 S310 S311 C312	V253-F308 HydrophobicContact CB-CD1 4.29Å; V253-F308 HydrophobicContact CB-CG 4.23Å; V253-F308 HydrophobicContact CG1-CB 3.71Å; V253-F308 HydrophobicContact CG1-CD1 3.84Å; V253-F308 HydrophobicContact CG1-CD2 4.45Å; V253-F308 HydrophobicContact CG1-CG 3.75Å; L257-F308 HydrophobicContact CD1-CD1 4.27Å; K304-F308 WeakPolarHBondContact O-CD2 3.5Å; S305-F308 PolarHBondContact O-N 2.96Å; E306-F308 PolarHBondContact O-N 3.28Å; F308-S310 VanDerWaalsContact C-N 3.34Å; F308-S310 PolarHBondContact O-N 3.23Å; F308-S311 PolarHBondContact O-N 2.76Å; F308-S311 VanDerWaalsContact O-N 3.08Å; F308-C312 WeakPolarHBondContact O-CB 3.49Å; F308-C312 PolarHBondContact O-N 2.76Å; F308-C312 PolarHBondContact O-SG 2.74Å
309	V	95.2	Very high	93.8	Very high	20 Å²	20	54.5 Å²	54.5	12%	0.121	29%	0.29	C	S	.	.	H	α-helix	trans	-53.7	-48.7	-172.8	175.3	0	0	0	0	111.8	V214 D218 E306 S311 C312 K313	V214-V309 HydrophobicContact CG1-CG2 4.02Å; D218-V309 HydrophobicContact CB-CG1 4.11Å; D218-V309 HydrophobicContact CB-CG2 3.85Å; E306-V309 PolarHBondContact O-N 3.3Å; V309-S311 PolarHBondContact O-N 2.79Å; V309-C312 PolarHBondContact O-N 3.49Å; V309-K313 WeakPolarHBondContact O-CB 3.41Å; V309-K313 PolarHBondContact O-N 3.03Å
310	S	96.4	Very high	94.2	Very high	95 Å²	95	59.1 Å²	59.1	66%	0.664	30%	0.303	S	S	*	.	H	α-helix	trans	-61.4	-44	178.9	-61.7	0	0	0	0	112.7	F308 K313 A314	F308-S310 VanDerWaalsContact C-N 3.34Å; F308-S310 PolarHBondContact O-N 3.23Å; S310-K313 PolarHBondContact O-N 3.25Å; S310-A314 WeakPolarHBondContact O-CB 3.29Å; S310-A314 PolarHBondContact O-N 2.92Å
311	S	97.4	Very high	94.4	Very high	62 Å²	62	67.7 Å²	67.7	43%	0.434	34%	0.34	S	S	.	.	H	α-helix	trans	-66.9	-42.8	178.7	-59.7	0	0	0	0	111.8	F308 V309 A314 M315	F308-S311 PolarHBondContact O-N 2.76Å; F308-S311 VanDerWaalsContact O-N 3.08Å; V309-S311 PolarHBondContact O-N 2.79Å; S311-A314 PolarHBondContact O-N 2.78Å; S311-M315 WeakPolarHBondContact O-CB 3.34Å; S311-M315 PolarHBondContact O-N 3.18Å
312	C	97.8	Very high	94.6	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-61.1	-47.1	174.8	-67.3	0	0	0	0	111.1	L211 V215 F308 V309 M315 L316	L211-C312 HydrophobicContact CB-CB 4.25Å; L211-C312 HydrophobicContact CD2-CB 4.44Å; V215-C312 HydrophobicContact CG2-CB 3.72Å; F308-C312 WeakPolarHBondContact O-CB 3.49Å; F308-C312 PolarHBondContact O-N 2.76Å; F308-C312 PolarHBondContact O-SG 2.74Å; V309-C312 PolarHBondContact O-N 3.49Å; C312-M315 PolarHBondContact O-N 2.98Å; C312-L316 WeakPolarHBondContact O-CB 3.33Å; C312-L316 VanDerWaalsContact O-CG 3.3Å; C312-L316 WeakPolarHBondContact O-CG 3.4Å; C312-L316 PolarHBondContact O-N 3.42Å
313	K	97.1	Very high	94.6	Very high	111 Å²	111	68.6 Å²	68.6	48%	0.483	35%	0.352	S	S	.	.	H	α-helix	trans	-61.8	-46	178.6	-170.4	175.7	-177	177.1	0	111.7	V215 V309 S310 M315 L316 Q317	V215-K313 HydrophobicContact CG2-CB 4.27Å; V309-K313 WeakPolarHBondContact O-CB 3.41Å; V309-K313 PolarHBondContact O-N 3.03Å; S310-K313 PolarHBondContact O-N 3.25Å; K313-M315 VanDerWaalsContact C-N 3.34Å; K313-M315 PolarHBondContact O-N 3.44Å; K313-L316 PolarHBondContact O-N 2.84Å; K313-Q317 WeakPolarHBondContact O-CG 3.5Å; K313-Q317 PolarHBondContact O-N 3.36Å
314	A	97.7	Very high	94.8	Very high	44 Å²	44	68.2 Å²	68.2	36%	0.364	36%	0.355	S	S	.	.	H	α-helix	trans	-62.6	-39.8	176.9	0	0	0	0	0	112.3	S310 S311 K318	S310-A314 WeakPolarHBondContact O-CB 3.29Å; S310-A314 PolarHBondContact O-N 2.92Å; S311-A314 PolarHBondContact O-N 2.78Å; A314-K318 WeakPolarHBondContact O-CG 3.47Å; A314-K318 PolarHBondContact O-N 3.07Å
315	M	98.1	Very high	95.2	Very high	16 Å²	16	63.1 Å²	63.1	8%	0.079	33%	0.333	C	S	.	.	H	α-helix	trans	-66	-45.9	176.4	-175.9	57.5	72.4	0	0	111.8	L211 L257 C260 Q261 L264 S311 C312 K313 Q317 K318 L319	L211-M315 HydrophobicContact CD1-CB 4.13Å; L211-M315 HydrophobicContact CD1-CG 3.74Å; L257-M315 HydrophobicContact CD2-CB 3.78Å; L257-M315 HydrophobicContact CD2-CG 4.11Å; C260-M315 HydrophobicContact CB-CE 4.37Å; C260-M315 HydrophobicContact CB-CG 3.72Å; C260-M315 HydrophobicContact CB-SD 3.76Å; Q261-M315 HydrophobicContact CB-CE 3.81Å; L264-M315 HydrophobicContact CD1-SD 3.68Å; S311-M315 WeakPolarHBondContact O-CB 3.34Å; S311-M315 PolarHBondContact O-N 3.18Å; C312-M315 PolarHBondContact O-N 2.98Å; K313-M315 VanDerWaalsContact C-N 3.34Å; K313-M315 PolarHBondContact O-N 3.44Å; M315-Q317 VanDerWaalsContact C-N 3.31Å; M315-Q317 PolarHBondContact O-N 2.88Å; M315-K318 WeakPolarHBondContact O-CB 3.49Å; M315-K318 PolarHBondContact O-N 2.89Å; M315-K318 VanDerWaalsContact O-N 3.09Å; M315-L319 HydrophobicContact CG-CD1 4.03Å; M315-L319 WeakPolarHBondContact O-CG 3.32Å; M315-L319 PolarHBondContact O-N 2.96Å; M315-L319 HydrophobicContact SD-CG 4.48Å
316	L	97.5	Very high	95.5	Very high	21 Å²	21	63 Å²	63	11%	0.11	33%	0.331	C	S	.	.	H	α-helix	trans	-60.4	-40.1	177.8	-71.7	169.3	0	0	0	112	L211 K212 V215 C312 K313 K318 L319 E320 L326	L211-L316 HydrophobicContact CB-CD1 4.29Å; L211-L316 HydrophobicContact CB-CD2 4.19Å; L211-L316 HydrophobicContact CB-CG 4.18Å; K212-L316 HydrophobicContact CG-CD1 3.99Å; K212-L316 HydrophobicContact CG-CD2 3.83Å; V215-L316 HydrophobicContact CG2-CD1 4.04Å; C312-L316 WeakPolarHBondContact O-CB 3.33Å; C312-L316 VanDerWaalsContact O-CG 3.3Å; C312-L316 WeakPolarHBondContact O-CG 3.4Å; C312-L316 PolarHBondContact O-N 3.42Å; K313-L316 PolarHBondContact O-N 2.84Å; L316-K318 VanDerWaalsContact C-N 3.29Å; L316-K318 PolarHBondContact O-N 2.81Å; L316-L319 PolarHBondContact O-N 3.18Å; L316-E320 WeakPolarHBondContact O-CB 3.39Å; L316-E320 PolarHBondContact O-N 2.74Å; L316-L326 HydrophobicContact CD2-CD1 4.44Å; L316-L326 HydrophobicContact CD2-CD2 4.4Å
317	Q	96.6	Very high	95.7	Very high	106 Å²	106	60 Å²	60	50%	0.495	33%	0.331	S	S	.	.	H	α-helix	trans	-63.1	-32.2	174.6	-74.5	175.5	-18.4	0	0	113.5	K313 M315	K313-Q317 WeakPolarHBondContact O-CG 3.5Å; K313-Q317 PolarHBondContact O-N 3.36Å; M315-Q317 VanDerWaalsContact C-N 3.31Å; M315-Q317 PolarHBondContact O-N 2.88Å
318	K	96.8	Very high	95.7	Very high	107 Å²	107	54.8 Å²	54.8	47%	0.465	30%	0.303	S	S	.	.	H	α-helix	trans	-71.5	-45.2	173.1	-68.9	176.8	-177.1	-178.7	0	110.9	L264 A314 M315 L316 E320 K321	L264-K318 HydrophobicContact CD1-CB 3.76Å; L264-K318 HydrophobicContact CD1-CD 4.04Å; A314-K318 WeakPolarHBondContact O-CG 3.47Å; A314-K318 PolarHBondContact O-N 3.07Å; M315-K318 WeakPolarHBondContact O-CB 3.49Å; M315-K318 PolarHBondContact O-N 2.89Å; M315-K318 VanDerWaalsContact O-N 3.09Å; L316-K318 VanDerWaalsContact C-N 3.29Å; L316-K318 PolarHBondContact O-N 2.81Å; K318-E320 VanDerWaalsContact C-N 3.33Å; K318-E320 PolarHBondContact O-N 3.43Å; K318-K321 PolarHBondContact O-N 3.04Å
319	L	96.2	Very high	95.7	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.021	30%	0.296	C	S	.	.	H	α-helix	trans	-64.8	-35	-179.5	-71.4	166.9	0	0	0	112.9	T208 C260 Y263 L264 M315 L316 K321 V322 S323 L326	T208-L319 HydrophobicContact CG2-CD1 3.65Å; C260-L319 HydrophobicContact CB-CD1 4.06Å; Y263-L319 HydrophobicContact CD1-CD2 3.92Å; Y263-L319 HydrophobicContact CE1-CD2 4.29Å; L264-L319 HydrophobicContact CD2-CD2 3.97Å; L264-L319 HydrophobicContact CG-CD2 4.1Å; M315-L319 HydrophobicContact CG-CD1 4.03Å; M315-L319 WeakPolarHBondContact O-CG 3.32Å; M315-L319 PolarHBondContact O-N 2.96Å; M315-L319 HydrophobicContact SD-CG 4.48Å; L316-L319 PolarHBondContact O-N 3.18Å; L319-K321 PolarHBondContact O-N 2.7Å; L319-K321 VanDerWaalsContact O-N 3.14Å; L319-V322 WeakPolarHBondContact O-CG2 3.48Å; L319-V322 PolarHBondContact O-N 2.71Å; L319-S323 WeakPolarHBondContact O-CB 3.47Å; L319-S323 PolarHBondContact O-N 2.84Å; L319-L326 HydrophobicContact CB-CD2 3.98Å
320	E	94.4	Very high	95.6	Very high	130 Å²	130	52.4 Å²	52.4	61%	0.607	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-28.7	178.4	-170.5	169.2	-154.8	0	0	112.6	L316 K318 V322 L326	L316-E320 WeakPolarHBondContact O-CB 3.39Å; L316-E320 PolarHBondContact O-N 2.74Å; K318-E320 VanDerWaalsContact C-N 3.33Å; K318-E320 PolarHBondContact O-N 3.43Å; E320-V322 VanDerWaalsContact C-N 3.34Å; E320-V322 PolarHBondContact O-N 2.88Å; E320-L326 HydrophobicContact CB-CD2 3.95Å
321	K	94	Very high	95.5	Very high	180 Å²	180	49 Å²	49	78%	0.783	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-22.4	178.8	-60.7	179.7	-177.3	-179.2	0	114	K318 L319	K318-K321 PolarHBondContact O-N 3.04Å; L319-K321 PolarHBondContact O-N 2.7Å; L319-K321 VanDerWaalsContact O-N 3.14Å
322	V	93	Very high	95.5	Very high	65 Å²	65	47.5 Å²	47.5	39%	0.394	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.8	-9.5	-173.9	-61	0	0	0	0	113.1	L264 L267 L319 E320	L264-V322 HydrophobicContact CD2-CG2 3.73Å; L267-V322 HydrophobicContact CD1-CB 3.79Å; L267-V322 HydrophobicContact CD1-CG1 4.16Å; L267-V322 HydrophobicContact CD1-CG2 3.75Å; L319-V322 WeakPolarHBondContact O-CG2 3.48Å; L319-V322 PolarHBondContact O-N 2.71Å; E320-V322 VanDerWaalsContact C-N 3.34Å; E320-V322 PolarHBondContact O-N 2.88Å
323	S	94.1	Very high	95.5	Very high	29 Å²	29	47.5 Å²	47.5	20%	0.203	25%	0.253	C	S	.	.			trans	-124.7	91.9	-178.7	-171.8	0	0	0	0	110	L319 Q325 L326	L319-S323 WeakPolarHBondContact O-CB 3.47Å; L319-S323 PolarHBondContact O-N 2.84Å; S323-Q325 PolarHBondContact O-N 3.04Å; S323-Q325 VanDerWaalsContact O-N 3.08Å; S323-L326 WeakPolarHBondContact O-CB 3.25Å; S323-L326 PolarHBondContact O-N 2.82Å
324	P	94.1	Very high	95.5	Very high	58 Å²	58	42.2 Å²	42.2	38%	0.377	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-58.2	-25.9	-179.3	-24.8	33.6	0	0	0	113.6	D178	D178-P324 WeakPolarHBondContact OD2-CG 3.32Å
325	Q	96.5	Very high	95.5	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.009	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-87.7	-2	-177.8	-62.4	-177.1	26.9	0	0	113.5	D180 F183 R185 S323 G327 I328 D329 W521	D180-Q325 WeakPolarHBondContact O-CG 3.48Å; D180-Q325 PolarHBondContact O-NE2 2.78Å; D180-Q325 PolarHBondContact OD1-NE2 2.8Å; F183-Q325 PolarHBondContact O-NE2 2.95Å; F183-Q325 VanDerWaalsContact O-NE2 3.1Å; R185-Q325 VanDerWaalsContact CG-OE1 3.28Å; R185-Q325 VanDerWaalsContact N-NE2 3.2Å; S323-Q325 PolarHBondContact O-N 3.04Å; S323-Q325 VanDerWaalsContact O-N 3.08Å; Q325-G327 PolarHBondContact O-N 2.99Å; Q325-G327 VanDerWaalsContact O-N 3.16Å; Q325-I328 HydrophobicContact CB-CD1 3.93Å; Q325-I328 HydrophobicContact CB-CG1 3.87Å; Q325-I328 HydrophobicContact CG-CD1 3.96Å; Q325-I328 HydrophobicContact CG-CG1 4.39Å; Q325-I328 WeakPolarHBondContact O-CG1 3.25Å; Q325-I328 PolarHBondContact O-N 3.14Å; Q325-I328 VanDerWaalsContact O-N 3.15Å; Q325-D329 VanDerWaalsContact O-CG 3.29Å; Q325-D329 PolarHBondContact O-N 2.85Å; Q325-D329 VanDerWaalsContact O-N 3.08Å; Q325-W521 HydrophobicContact CB-CH2 4.48Å; Q325-W521 HydrophobicContact CG-CH2 3.6Å; Q325-W521 HydrophobicContact CG-CZ3 3.71Å
326	L	95.4	Very high	95.3	Very high	13 Å²	13	39.9 Å²	39.9	7%	0.068	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-58.8	-33	-178.8	-169.8	69.4	0	0	0	111.8	K212 L316 L319 E320 S323	K212-L326 WeakPolarHBondContact CE-O 3.22Å; K212-L326 PolarHBondContact NZ-O 2.87Å; L316-L326 HydrophobicContact CD2-CD1 4.44Å; L316-L326 HydrophobicContact CD2-CD2 4.4Å; L319-L326 HydrophobicContact CB-CD2 3.98Å; E320-L326 HydrophobicContact CB-CD2 3.95Å; S323-L326 WeakPolarHBondContact O-CB 3.25Å; S323-L326 PolarHBondContact O-N 2.82Å
327	G	92.4	Very high	95.1	Very high	50 Å²	50	39 Å²	39	52%	0.515	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-70.2	-35	178.7	0	0	0	0	0	114.5	Q325	Q325-G327 PolarHBondContact O-N 2.99Å; Q325-G327 VanDerWaalsContact O-N 3.16Å
328	I	95.3	Very high	94.7	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.01	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-21.1	179.6	56.9	164.5	0	0	0	113.3	Q325 I379 E380 K381 D515 W521	Q325-I328 HydrophobicContact CB-CD1 3.93Å; Q325-I328 HydrophobicContact CB-CG1 3.87Å; Q325-I328 HydrophobicContact CG-CD1 3.96Å; Q325-I328 HydrophobicContact CG-CG1 4.39Å; Q325-I328 WeakPolarHBondContact O-CG1 3.25Å; Q325-I328 PolarHBondContact O-N 3.14Å; Q325-I328 VanDerWaalsContact O-N 3.15Å; I328-I379 HydrophobicContact CB-CG2 4.05Å; I328-I379 HydrophobicContact CD1-CD1 4.39Å; I328-I379 HydrophobicContact CD1-CG1 4.08Å; I328-I379 HydrophobicContact CG2-CG2 4.15Å; I328-E380 PolarHBondContact O-N 2.76Å; I328-K381 PolarHBondContact O-N 2.97Å; I328-D515 HydrophobicContact CG2-CB 3.47Å; I328-D515 VanDerWaalsContact CG2-CB 3.47Å; I328-W521 HydrophobicContact CD1-CD2 4.06Å; I328-W521 HydrophobicContact CD1-CE3 4.05Å; I328-W521 HydrophobicContact CD1-CH2 3.9Å; I328-W521 HydrophobicContact CD1-CZ2 3.89Å; I328-W521 HydrophobicContact CD1-CZ3 3.97Å; I328-W521 HydrophobicContact CG1-CH2 4.49Å; I328-W521 HydrophobicContact CG1-CZ2 4.24Å; I328-W521 HydrophobicContact CG2-CZ2 3.9Å
329	D	93.9	Very high	94	Very high	3 Å²	3	30 Å²	30	2%	0.016	17%	0.167	C	C	.	.			trans	-68	133.4	171.7	-74.6	-4.1	0	0	0	109.9	R185 K212 Q325 K377	R185-D329 IonicContact CZ-OD1 2.57Å; R185-D329 IonicContact CZ-OD2 3.13Å; R185-D329 IonicContact NH1-OD1 2.7Å; R185-D329 PolarHBondContact NH1-OD1 3.24Å; R185-D329 IonicContact NH1-OD2 3.72Å; R185-D329 PolarHBondContact NH1-OD2 3.08Å; R185-D329 IonicContact NH2-OD1 2.59Å; R185-D329 PolarHBondContact NH2-OD1 2.85Å; R185-D329 IonicContact NH2-OD2 3.65Å; R185-D329 PolarHBondContact NH2-OD2 3.38Å; K212-D329 PolarHBondContact NZ-O 3.29Å; Q325-D329 VanDerWaalsContact O-CG 3.29Å; Q325-D329 PolarHBondContact O-N 2.85Å; Q325-D329 VanDerWaalsContact O-N 3.08Å; D329-K377 WeakPolarHBondContact OD1-CE 3.28Å; D329-K377 WeakPolarHBondContact OD1-CG 3.09Å; D329-K377 IonicContact OD1-NZ 3.87Å
330	G	92.1	Very high	92.6	Very high	2 Å²	2	30 Å²	30	2%	0.021	17%	0.168	C	C	.	.			trans	-95.7	-148.2	174.2	0	0	0	0	0	111.8	S209 E380	S209-G330 PolarHBondContact OG-O 2.66Å; G330-E380 WeakPolarHBondContact CA-OE2 3.49Å
331	T	95.8	Very high	91.2	Very high	25 Å²	25	28.2 Å²	28.2	15%	0.153	18%	0.176	C	C	.	.	S	Bend	trans	-107.6	-2.4	177.2	50.7	0	0	0	0	112.5	K212 E216 Y292 E380	K212-T331 HydrophobicContact CB-CG2 3.84Å; E216-T331 VanDerWaalsContact OE2-CG2 3.28Å; E216-T331 WeakPolarHBondContact OE2-CG2 3.45Å; Y292-T331 PolarHBondContact OH-O 2.99Å; Y292-T331 VanDerWaalsContact OH-O 3.05Å; T331-E380 PolarHBondContact N-OE2 3.48Å
332	Q	96.3	Very high	89.9	Confident	30 Å²	30	26 Å²	26	14%	0.14	17%	0.166	C	C	.	.	S	Bend	trans	-105.1	-3	-172	-57.4	-162.3	35.6	0	0	113.6	Y292 H297 I334 K352 E380 L423	Y292-Q332 PolarHBondContact OH-O 2.79Å; H297-Q332 PolarHBondContact CE1-O 2.84Å; H297-Q332 VanDerWaalsContact CE1-O 3.31Å; Q332-I334 VanDerWaalsContact C-N 3.29Å; Q332-I334 HydrophobicContact CB-CD1 3.93Å; Q332-I334 HydrophobicContact CB-CG1 3.68Å; Q332-I334 PolarHBondContact O-N 2.88Å; Q332-K352 HydrophobicContact CB-CD 4.3Å; Q332-K352 VanDerWaalsContact OE1-CE 3.23Å; Q332-E380 WeakPolarHBondContact CB-OE2 3.18Å; Q332-E380 PolarHBondContact N-OE2 3.43Å; Q332-L423 PolarHBondContact OE1-O 2.87Å
333	N	97.8	Very high	88.5	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	17%	0.165	C	C	.	.			trans	47.9	51.3	177.8	-165	7.6	0	0	0	112.3	Y202 T205 A206 Y292 W335 E380	Y202-N333 WeakPolarHBondContact CE1-ND2 3.28Å; Y202-N333 PolarHBondContact O-ND2 2.58Å; T205-N333 WeakPolarHBondContact CB-OD1 3.49Å; T205-N333 HydrophobicContact CG2-CB 4.33Å; T205-N333 WeakPolarHBondContact CG2-OD1 3.35Å; A206-N333 PolarHBondContact N-ND2 3.1Å; Y292-N333 HydrophobicContact CE1-CB 4.23Å; Y292-N333 WeakPolarHBondContact OH-CB 3.34Å; Y292-N333 PolarHBondContact OH-N 2.82Å; N333-W335 VanDerWaalsContact O-CD1 3.23Å; N333-W335 PolarHBondContact OD1-NE1 3.28Å; N333-E380 PolarHBondContact N-OE1 2.68Å
334	I	97.9	Very high	87	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.186	C	C	.	.			trans	-81.9	136.1	-176.5	-47.6	-178.8	0	0	0	109.2	Q332 C350 K352 K377 Y378 E380 L423 L426	Q332-I334 VanDerWaalsContact C-N 3.29Å; Q332-I334 HydrophobicContact CB-CD1 3.93Å; Q332-I334 HydrophobicContact CB-CG1 3.68Å; Q332-I334 PolarHBondContact O-N 2.88Å; I334-C350 HydrophobicContact CG2-CB 4.08Å; I334-K352 HydrophobicContact CD1-CD 4.3Å; I334-K352 HydrophobicContact CG1-CD 4.12Å; I334-K352 HydrophobicContact CG1-CG 3.96Å; I334-K377 PolarHBondContact O-NZ 2.86Å; I334-Y378 HydrophobicContact CB-CD1 4.12Å; I334-Y378 HydrophobicContact CB-CG 4.3Å; I334-Y378 HydrophobicContact CD1-CD1 4.47Å; I334-Y378 HydrophobicContact CG2-CD1 4.04Å; I334-Y378 HydrophobicContact CG2-CG 3.97Å; I334-Y378 WeakPolarHBondContact O-CB 3.23Å; I334-Y378 PolarHBondContact O-N 3.12Å; I334-E380 HydrophobicContact CB-CG 4.12Å; I334-E380 HydrophobicContact CD1-CG 3.95Å; I334-E380 HydrophobicContact CG1-CG 3.98Å; I334-E380 PolarHBondContact N-OE1 3.18Å; I334-L423 HydrophobicContact CD1-CB 4.45Å; I334-L423 HydrophobicContact CD1-CD1 4.29Å; I334-L423 HydrophobicContact CD1-CD2 3.65Å; I334-L423 HydrophobicContact CD1-CG 4.35Å; I334-L426 HydrophobicContact CD1-CD2 4.03Å; I334-L426 HydrophobicContact CG2-CD2 4.08Å
335	W	97.5	Very high	85.4	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	144.1	174.7	-68.5	79.6	0	0	0	110.5	R185 Y187 F198 D201 Y202 N333 C350 E351 I357 V375 K377	R185-W335 HydrophobicContact CG-CH2 4.1Å; R185-W335 HydrophobicContact CG-CZ3 4.49Å; Y187-W335 HydrophobicContact CD2-CH2 4.4Å; Y187-W335 HydrophobicContact CD2-CZ3 4.05Å; Y187-W335 AromaticContact CE2-CH2 3.99Å; Y187-W335 HydrophobicContact CE2-CH2 3.99Å; Y187-W335 HydrophobicContact CE2-CZ3 4.06Å; F198-W335 HydrophobicContact CD2-CD2 4.48Å; F198-W335 HydrophobicContact CD2-CE3 4.16Å; F198-W335 HydrophobicContact CD2-CH2 4.26Å; F198-W335 HydrophobicContact CD2-CZ3 4.05Å; F198-W335 AromaticContact CE2-CD2 3.64Å; F198-W335 HydrophobicContact CE2-CD2 3.64Å; F198-W335 AromaticContact CE2-CE2 3.91Å; F198-W335 AromaticContact CE2-CE3 3.68Å; F198-W335 HydrophobicContact CE2-CE3 3.68Å; F198-W335 HydrophobicContact CE2-CG 4.14Å; F198-W335 HydrophobicContact CE2-CH2 4.28Å; F198-W335 HydrophobicContact CE2-CZ2 4.24Å; F198-W335 HydrophobicContact CE2-CZ3 4.01Å; D201-W335 VanDerWaalsContact OD2-CH2 3.26Å; D201-W335 WeakPolarHBondContact OD2-CH2 3.2Å; Y202-W335 AromaticContact CD2-CD1 3.5Å; Y202-W335 HydrophobicContact CD2-CG 4.39Å; Y202-W335 AromaticContact CD2-NE1 3.3Å; Y202-W335 VanDerWaalsContact CD2-NE1 3.3Å; Y202-W335 AromaticContact CE2-CD1 3.56Å; Y202-W335 AromaticContact CE2-NE1 3.73Å; N333-W335 VanDerWaalsContact O-CD1 3.23Å; N333-W335 PolarHBondContact OD1-NE1 3.28Å; W335-C350 CarbonylContact O-C 3.59Å; W335-C350 WeakPolarHBondContact O-CA 3.42Å; W335-E351 PolarHBondContact N-O 2.86Å; W335-E351 PolarHBondContact O-N 2.99Å; W335-I357 HydrophobicContact CB-CD1 3.79Å; W335-I357 HydrophobicContact CG-CD1 4.12Å; W335-V375 HydrophobicContact CE3-CB 4.45Å; W335-K377 HydrophobicContact CD2-CD 4.19Å; W335-K377 HydrophobicContact CE3-CB 4.23Å; W335-K377 VanDerWaalsContact CE3-N 3.32Å; W335-K377 HydrophobicContact CH2-CB 3.96Å; W335-K377 HydrophobicContact CH2-CD 4.13Å; W335-K377 HydrophobicContact CZ2-CB 4.39Å; W335-K377 HydrophobicContact CZ2-CD 3.69Å; W335-K377 HydrophobicContact CZ3-CB 3.88Å; W335-K377 VanDerWaalsContact CZ3-N 3.31Å
336	I	94.8	Very high	84	Confident	11 Å²	11	36.7 Å²	36.7	6%	0.056	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	116.3	176.6	-173.3	162.6	0	0	0	109.8	K338 I348 K349 Q376 Y378 L432	I336-K338 HydrophobicContact CG1-CD 4.46Å; I336-K338 HydrophobicContact CG1-CG 3.96Å; I336-I348 HydrophobicContact CD1-CG2 3.32Å; I336-I348 HydrophobicContact CG1-CG2 3.39Å; I336-K349 CarbonylContact C-O 2.8Å; I336-K349 WeakPolarHBondContact CA-O 3.42Å; I336-Q376 HydrophobicContact CG2-CB 3.91Å; I336-Q376 HydrophobicContact CG2-CG 4.41Å; I336-Q376 VanDerWaalsContact CG2-O 3.29Å; I336-Q376 WeakPolarHBondContact CG2-O 3.45Å; I336-Q376 PolarHBondContact N-O 3.15Å; I336-Q376 PolarHBondContact O-N 2.87Å; I336-Y378 HydrophobicContact CB-CD2 4.28Å; I336-Y378 HydrophobicContact CD1-CD2 4.47Å; I336-L432 HydrophobicContact CD1-CD2 4.19Å
337	V	91.7	Very high	83	Confident	3 Å²	3	38.1 Å²	38.1	2%	0.018	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	118.9	176.9	-169.7	0	0	0	0	107.9	I348 K349 I357 L360 W373 V375	V337-I348 WeakPolarHBondContact O-CA 3.33Å; V337-K349 PolarHBondContact N-O 2.88Å; V337-K349 PolarHBondContact O-N 2.9Å; V337-I357 HydrophobicContact CG2-CG1 4.49Å; V337-I357 HydrophobicContact CG2-CG2 4.21Å; V337-L360 HydrophobicContact CG2-CD1 4.36Å; V337-W373 HydrophobicContact CG1-CD2 4.45Å; V337-W373 HydrophobicContact CG1-CE3 3.74Å; V337-W373 HydrophobicContact CG1-CZ3 4.22Å; V337-V375 HydrophobicContact CB-CG1 4.44Å; V337-V375 HydrophobicContact CG1-CG1 4.24Å; V337-V375 HydrophobicContact CG2-CG1 4.03Å
338	K	88.4	Confident	82.6	Confident	14 Å²	14	37.3 Å²	37.3	6%	0.061	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	139.7	-176.3	-56.1	177	176.4	172.3	0	110.6	K161 I336 G340 I348 W373 V374	K161-K338 HydrophobicContact CD-CD 4.39Å; K161-K338 HydrophobicContact CG-CD 4.34Å; I336-K338 HydrophobicContact CG1-CD 4.46Å; I336-K338 HydrophobicContact CG1-CG 3.96Å; K338-G340 PolarHBondContact O-N 2.84Å; K338-I348 HydrophobicContact CB-CG1 4.46Å; K338-I348 HydrophobicContact CD-CD1 4.41Å; K338-I348 HydrophobicContact CG-CD1 4.16Å; K338-I348 HydrophobicContact CG-CG1 4.12Å; K338-I348 HydrophobicContact CG-CG2 4.24Å; K338-W373 VanDerWaalsContact C-CE3 3.42Å; K338-W373 WeakPolarHBondContact O-CA 3.28Å; K338-V374 HydrophobicContact CB-CG2 3.96Å; K338-V374 PolarHBondContact N-O 3.08Å; K338-V374 PolarHBondContact O-N 3.15Å
339	P	82.1	Confident	82.2	Confident	9 Å²	9	42.6 Å²	42.6	6%	0.058	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	134.5	169.4	-10.5	22.7	0	0	0	110.4	A341 K342 R346 K372 W373	P339-A341 VanDerWaalsContact C-N 3.27Å; P339-A341 PolarHBondContact O-N 2.68Å; P339-K342 HydrophobicContact CB-CB 3.84Å; P339-K342 HydrophobicContact CB-CD 3.93Å; P339-K342 HydrophobicContact CB-CG 3.78Å; P339-K342 HydrophobicContact CG-CB 4.04Å; P339-K342 HydrophobicContact CG-CD 3.91Å; P339-K342 HydrophobicContact CG-CG 4.19Å; P339-R346 WeakPolarHBondContact CG-O 3.4Å; P339-K372 CarbonylContact C-O 3.55Å; P339-K372 WeakPolarHBondContact CA-O 3.3Å; P339-W373 HydrophobicContact CB-CE3 4.23Å; P339-W373 HydrophobicContact CB-CH2 4.41Å; P339-W373 HydrophobicContact CB-CZ3 4.09Å; P339-W373 HydrophobicContact CG-CE3 4.07Å; P339-W373 HydrophobicContact CG-CH2 3.8Å; P339-W373 HydrophobicContact CG-CZ3 3.48Å; P339-W373 VanDerWaalsContact CG-CZ3 3.48Å
340	G	67.3	Low	82.2	Confident	4 Å²	4	43.1 Å²	43.1	4%	0.041	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-27	-170.7	0	0	0	0	0	115.2	K161 K338 K372	K161-G340 PolarHBondContact N-O 3.01Å; K161-G340 VanDerWaalsContact N-O 3.15Å; K338-G340 PolarHBondContact O-N 2.84Å; G340-K372 PolarHBondContact N-O 3.08Å
341	A	66	Low	82.3	Confident	93 Å²	93	44.7 Å²	44.7	77%	0.769	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-128	12.6	-176	0	0	0	0	0	114.4	P339	P339-A341 VanDerWaalsContact C-N 3.27Å; P339-A341 PolarHBondContact O-N 2.68Å
342	K	66.6	Low	82.3	Confident	133 Å²	133	44.9 Å²	44.9	58%	0.578	23%	0.232	S	C	*	.			trans	-96.9	156.5	173.7	-64.6	-170.2	-179.2	177.6	0	110.7	P339	P339-K342 HydrophobicContact CB-CB 3.84Å; P339-K342 HydrophobicContact CB-CD 3.93Å; P339-K342 HydrophobicContact CB-CG 3.78Å; P339-K342 HydrophobicContact CG-CB 4.04Å; P339-K342 HydrophobicContact CG-CD 3.91Å; P339-K342 HydrophobicContact CG-CG 4.19Å
343	S	63.2	Low	82.3	Confident	53 Å²	53	46.8 Å²	46.8	37%	0.371	24%	0.237	S	C	.	.			trans	-130.7	176.8	177.4	63.3	0	0	0	0	111.3	R346	S343-R346 PolarHBondContact O-NE 2.83Å
344	R	62.1	Low	82.2	Confident	169 Å²	169	47.4 Å²	47.4	64%	0.638	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.4	28.4	177.9	-51.2	179	-178	-179.9	-1.1	114.6	R346 S436	R344-R346 PolarHBondContact O-N 3.26Å; R344-S436 PolarHBondContact O-OG 3.46Å
345	G	60.6	Low	81.9	Confident	9 Å²	9	49.5 Å²	49.5	9%	0.093	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.5	4.9	179.6	0	0	0	0	0	115.6	G347 I348	G345-G347 PolarHBondContact O-N 3.39Å; G345-I348 PolarHBondContact O-N 3.39Å
346	R	66.8	Low	81.7	Confident	148 Å²	148	53 Å²	53	56%	0.558	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	125.2	-175.7	-67.3	-174.1	-66.1	170.5	-1.3	112	P339 S343 R344 I348	P339-R346 WeakPolarHBondContact CG-O 3.4Å; S343-R346 PolarHBondContact O-NE 2.83Å; R344-R346 PolarHBondContact O-N 3.26Å; R346-I348 VanDerWaalsContact C-N 3.26Å; R346-I348 PolarHBondContact O-N 3.1Å
347	G	74.6	Confident	81.5	Confident	43 Å²	43	52.4 Å²	52.4	44%	0.443	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.8	11.8	176.8	0	0	0	0	0	114.3	G345 W373	G345-G347 PolarHBondContact O-N 3.39Å; G347-W373 WeakPolarHBondContact O-CZ3 3.2Å
348	I	84.1	Confident	81.5	Confident	33 Å²	33	53.9 Å²	53.9	17%	0.169	27%	0.273	C	S	.	.			trans	-78.2	133	174.4	-61.2	-172.7	0	0	0	109.3	I336 V337 K338 G345 R346 L432	I336-I348 HydrophobicContact CD1-CG2 3.32Å; I336-I348 HydrophobicContact CG1-CG2 3.39Å; V337-I348 WeakPolarHBondContact O-CA 3.33Å; K338-I348 HydrophobicContact CB-CG1 4.46Å; K338-I348 HydrophobicContact CD-CD1 4.41Å; K338-I348 HydrophobicContact CG-CD1 4.16Å; K338-I348 HydrophobicContact CG-CG1 4.12Å; K338-I348 HydrophobicContact CG-CG2 4.24Å; G345-I348 PolarHBondContact O-N 3.39Å; R346-I348 VanDerWaalsContact C-N 3.26Å; R346-I348 PolarHBondContact O-N 3.1Å; I348-L432 HydrophobicContact CB-CD1 4.26Å; I348-L432 HydrophobicContact CG2-CD1 4.39Å; I348-L432 HydrophobicContact CG2-CD2 3.97Å
349	K	87.6	Confident	81.4	Confident	113 Å²	113	60.7 Å²	60.7	49%	0.491	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	137.5	173.2	-66.8	-172.4	176	-172.3	0	110.2	I336 V337 L360	I336-K349 CarbonylContact C-O 2.8Å; I336-K349 WeakPolarHBondContact CA-O 3.42Å; V337-K349 PolarHBondContact N-O 2.88Å; V337-K349 PolarHBondContact O-N 2.9Å; K349-L360 HydrophobicContact CD-CD1 4.23Å; K349-L360 HydrophobicContact CD-CD2 4.28Å
350	C	93.8	Very high	81.2	Confident	13 Å²	13	62.3 Å²	62.3	9%	0.088	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	138.3	166	-62.6	0	0	0	0	107.9	I334 W335 L426	I334-C350 HydrophobicContact CG2-CB 4.08Å; W335-C350 CarbonylContact O-C 3.59Å; W335-C350 WeakPolarHBondContact O-CA 3.42Å; C350-L426 HydrophobicContact CB-CB 4.26Å; C350-L426 HydrophobicContact CB-CD1 4.27Å; C350-L426 HydrophobicContact CB-CD2 3.93Å; C350-L426 HydrophobicContact CB-CG 4.38Å; C350-L426 WeakPolarHBondContact O-CD1 3.41Å
351	E	94.6	Very high	81.5	Confident	36 Å²	36	63.5 Å²	63.5	17%	0.168	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	144.9	179.2	-68.1	-62.6	170.8	0	0	109.6	W335 Q356 I357 L360	W335-E351 PolarHBondContact N-O 2.86Å; W335-E351 PolarHBondContact O-N 2.99Å; E351-Q356 PolarHBondContact OE2-OE1 3.31Å; E351-Q356 VanDerWaalsContact OE2-OE1 3.11Å; E351-I357 HydrophobicContact CB-CD1 4.2Å; E351-I357 HydrophobicContact CB-CG1 3.52Å; E351-I357 HydrophobicContact CG-CG1 4.29Å; E351-L360 HydrophobicContact CG-CD1 3.62Å
352	K	94.7	Very high	81.8	Confident	28 Å²	28	63 Å²	63	12%	0.122	30%	0.297	C	S	.	.			trans	-107.9	-9.8	-179.3	-44	-170.3	178.4	161.9	0	113.3	Y202 Q332 I334 L423 L426	Y202-K352 PolarHBondContact OH-O 2.82Å; Q332-K352 HydrophobicContact CB-CD 4.3Å; Q332-K352 VanDerWaalsContact OE1-CE 3.23Å; I334-K352 HydrophobicContact CD1-CD 4.3Å; I334-K352 HydrophobicContact CG1-CD 4.12Å; I334-K352 HydrophobicContact CG1-CG 3.96Å; K352-L423 PolarHBondContact NZ-O 2.93Å; K352-L426 HydrophobicContact CD-CD1 4.1Å; K352-L426 VanDerWaalsContact CE-CD2 3.42Å; K352-L426 HydrophobicContact CG-CD1 3.54Å; K352-L426 HydrophobicContact CG-CG 4.44Å
353	R	95.6	Very high	81.5	Confident	70 Å²	70	63 Å²	63	26%	0.264	30%	0.302	S	S	.	.			trans	-115.7	132.1	-175.4	-69.4	-175.6	58.3	95.1	5.1	112.6	Y202 Y293 D355 Q356 I357	Y202-R353 WeakPolarHBondContact OH-CA 3.11Å; Y293-R353 HydrophobicContact CD1-CG 4.34Å; Y293-R353 HydrophobicContact CE1-CB 4.49Å; Y293-R353 HydrophobicContact CE1-CG 4.11Å; R353-D355 WeakPolarHBondContact CB-OD1 3.37Å; R353-D355 IonicContact CZ-OD1 3.03Å; R353-D355 IonicContact NE-OD1 3.47Å; R353-D355 PolarHBondContact NE-OD1 3.23Å; R353-D355 IonicContact NE-OD2 2.69Å; R353-D355 IonicContact NH2-OD1 3.53Å; R353-D355 PolarHBondContact NH2-OD1 3.38Å; R353-D355 IonicContact NH2-OD2 3.59Å; R353-D355 PolarHBondContact O-N 3.25Å; R353-Q356 HydrophobicContact CB-CB 4.19Å; R353-Q356 HydrophobicContact CB-CG 4.01Å; R353-Q356 PolarHBondContact O-N 3.07Å; R353-I357 WeakPolarHBondContact O-CG1 3.31Å; R353-I357 PolarHBondContact O-N 3.27Å
354	L	95.9	Very high	81	Confident	13 Å²	13	63.6 Å²	63.6	7%	0.068	30%	0.301	C	S	.	.	H	α-helix	trans	-58.2	-45.3	-179.5	-175.8	57.8	0	0	0	112.8	F198 I199 Y202 L289 Y293 Q356 I357 L358	F198-L354 HydrophobicContact CD1-CD1 4.46Å; F198-L354 HydrophobicContact CE1-CD1 3.6Å; F198-L354 HydrophobicContact CZ-CD1 3.96Å; I199-L354 HydrophobicContact CG1-CD1 4.29Å; I199-L354 HydrophobicContact CG2-CD2 4.21Å; Y202-L354 HydrophobicContact CD1-CB 3.82Å; Y202-L354 HydrophobicContact CD1-CD1 4.12Å; Y202-L354 HydrophobicContact CD1-CD2 4.02Å; Y202-L354 HydrophobicContact CD1-CG 4.21Å; Y202-L354 HydrophobicContact CD2-CB 4.47Å; Y202-L354 HydrophobicContact CD2-CD1 4.13Å; Y202-L354 HydrophobicContact CE1-CB 3.59Å; Y202-L354 HydrophobicContact CE1-CG 4.46Å; Y202-L354 HydrophobicContact CE2-CB 4.27Å; Y202-L354 HydrophobicContact CG-CB 4.27Å; Y202-L354 HydrophobicContact CG-CD1 3.85Å; Y202-L354 HydrophobicContact CG-CG 4.44Å; Y202-L354 PolarHBondContact OH-N 2.93Å; L289-L354 HydrophobicContact CD1-CD2 4Å; Y293-L354 PolarHBondContact OH-N 3.46Å; L354-Q356 VanDerWaalsContact C-N 3.28Å; L354-Q356 PolarHBondContact O-N 2.95Å; L354-I357 PolarHBondContact O-N 3.33Å; L354-L358 HydrophobicContact CD1-CD1 4.12Å; L354-L358 HydrophobicContact CD1-CG 4.07Å; L354-L358 HydrophobicContact CG-CD1 4.03Å; L354-L358 HydrophobicContact CG-CG 4.36Å; L354-L358 WeakPolarHBondContact O-CG 3.37Å; L354-L358 PolarHBondContact O-N 3.35Å
355	D	93.3	Very high	80.5	Confident	44 Å²	44	60.5 Å²	60.5	24%	0.235	30%	0.303	C	S	.	.	H	α-helix	trans	-63.4	-36	-178.2	65.9	-58.1	0	0	0	111.9	R353 R359	R353-D355 WeakPolarHBondContact CB-OD1 3.37Å; R353-D355 IonicContact CZ-OD1 3.03Å; R353-D355 IonicContact NE-OD1 3.47Å; R353-D355 PolarHBondContact NE-OD1 3.23Å; R353-D355 IonicContact NE-OD2 2.69Å; R353-D355 IonicContact NH2-OD1 3.53Å; R353-D355 PolarHBondContact NH2-OD1 3.38Å; R353-D355 IonicContact NH2-OD2 3.59Å; R353-D355 PolarHBondContact O-N 3.25Å; D355-R359 WeakPolarHBondContact O-CB 3.47Å; D355-R359 WeakPolarHBondContact O-CG 3.46Å; D355-R359 PolarHBondContact O-N 3Å; D355-R359 IonicContact OD2-CZ 2.71Å; D355-R359 IonicContact OD2-NH1 3.04Å; D355-R359 IonicContact OD2-NH2 3.73Å; D355-R359 PolarHBondContact OD2-NH2 2.74Å
356	Q	91.9	Very high	79.9	Confident	73 Å²	73	68.3 Å²	68.3	34%	0.341	34%	0.339	S	S	.	.	H	α-helix	trans	-69.5	-44.1	176	-65.9	177.7	-11.7	0	0	111.5	E351 R353 L354 L358 R359 L360	E351-Q356 PolarHBondContact OE2-OE1 3.31Å; E351-Q356 VanDerWaalsContact OE2-OE1 3.11Å; R353-Q356 HydrophobicContact CB-CB 4.19Å; R353-Q356 HydrophobicContact CB-CG 4.01Å; R353-Q356 PolarHBondContact O-N 3.07Å; L354-Q356 VanDerWaalsContact C-N 3.28Å; L354-Q356 PolarHBondContact O-N 2.95Å; Q356-L358 PolarHBondContact O-N 3Å; Q356-R359 PolarHBondContact O-N 2.92Å; Q356-L360 WeakPolarHBondContact O-CG 3.33Å; Q356-L360 PolarHBondContact O-N 3.48Å
357	I	91.9	Very high	79.1	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-58.8	-48.4	176.3	-64.8	162.6	0	0	0	110.7	L189 F198 Y202 W335 V337 E351 R353 L354 R359 L360 V361 V375	L189-I357 HydrophobicContact CD1-CG2 4.39Å; F198-I357 HydrophobicContact CE1-CG2 3.83Å; F198-I357 HydrophobicContact CZ-CB 4.42Å; F198-I357 HydrophobicContact CZ-CD1 4.03Å; F198-I357 HydrophobicContact CZ-CG2 3.73Å; Y202-I357 HydrophobicContact CD2-CD1 4.27Å; Y202-I357 HydrophobicContact CE2-CD1 3.89Å; W335-I357 HydrophobicContact CB-CD1 3.79Å; W335-I357 HydrophobicContact CG-CD1 4.12Å; V337-I357 HydrophobicContact CG2-CG1 4.49Å; V337-I357 HydrophobicContact CG2-CG2 4.21Å; E351-I357 HydrophobicContact CB-CD1 4.2Å; E351-I357 HydrophobicContact CB-CG1 3.52Å; E351-I357 HydrophobicContact CG-CG1 4.29Å; R353-I357 WeakPolarHBondContact O-CG1 3.31Å; R353-I357 PolarHBondContact O-N 3.27Å; L354-I357 PolarHBondContact O-N 3.33Å; I357-R359 PolarHBondContact O-N 3.08Å; I357-L360 PolarHBondContact O-N 3.23Å; I357-V361 VanDerWaalsContact O-CG2 3.3Å; I357-V361 WeakPolarHBondContact O-CG2 3.48Å; I357-V361 PolarHBondContact O-N 3.06Å; I357-V375 HydrophobicContact CG2-CG1 3.86Å
358	L	90.3	Very high	78	Confident	33 Å²	33	69.6 Å²	69.6	17%	0.173	35%	0.345	C	S	.	.	H	α-helix	trans	-66.3	-37.4	179.9	-65.1	-179.9	0	0	0	111.9	K195 F198 I199 L354 Q356 V361 N362	K195-L358 HydrophobicContact CG-CD2 4.44Å; F198-L358 HydrophobicContact CD1-CD2 4.41Å; F198-L358 HydrophobicContact CE1-CD2 4.16Å; I199-L358 HydrophobicContact CD1-CD1 4.15Å; I199-L358 HydrophobicContact CD1-CD2 4.39Å; I199-L358 HydrophobicContact CG1-CD1 4.31Å; I199-L358 HydrophobicContact CG1-CD2 4.35Å; L354-L358 HydrophobicContact CD1-CD1 4.12Å; L354-L358 HydrophobicContact CD1-CG 4.07Å; L354-L358 HydrophobicContact CG-CD1 4.03Å; L354-L358 HydrophobicContact CG-CG 4.36Å; L354-L358 WeakPolarHBondContact O-CG 3.37Å; L354-L358 PolarHBondContact O-N 3.35Å; Q356-L358 PolarHBondContact O-N 3Å; L358-V361 PolarHBondContact O-N 3.15Å; L358-N362 WeakPolarHBondContact O-CB 3.17Å; L358-N362 PolarHBondContact O-N 3.37Å; L358-N362 PolarHBondContact O-ND2 2.99Å
359	R	86	Confident	76.1	Confident	158 Å²	158	77.5 Å²	77.5	60%	0.596	38%	0.378	S	S	*	.	H	α-helix	trans	-61.5	-47.7	174.1	-78.9	178.7	-150.6	158.1	14.8	111.8	D355 Q356 I357 V361 N362 I363	D355-R359 WeakPolarHBondContact O-CB 3.47Å; D355-R359 WeakPolarHBondContact O-CG 3.46Å; D355-R359 PolarHBondContact O-N 3Å; D355-R359 IonicContact OD2-CZ 2.71Å; D355-R359 IonicContact OD2-NH1 3.04Å; D355-R359 IonicContact OD2-NH2 3.73Å; D355-R359 PolarHBondContact OD2-NH2 2.74Å; Q356-R359 PolarHBondContact O-N 2.92Å; I357-R359 PolarHBondContact O-N 3.08Å; R359-V361 PolarHBondContact O-N 2.99Å; R359-N362 PolarHBondContact O-N 2.99Å; R359-N362 VanDerWaalsContact O-N 3.1Å; R359-I363 WeakPolarHBondContact O-CG1 3.41Å
360	L	78.8	Confident	74.1	Confident	43 Å²	43	79 Å²	79	23%	0.225	39%	0.387	C	S	.	.	H	α-helix	trans	-55.2	-28.6	-179.5	-74.2	175	0	0	0	113.3	V337 K349 E351 Q356 I357	V337-L360 HydrophobicContact CG2-CD1 4.36Å; K349-L360 HydrophobicContact CD-CD1 4.23Å; K349-L360 HydrophobicContact CD-CD2 4.28Å; E351-L360 HydrophobicContact CG-CD1 3.62Å; Q356-L360 WeakPolarHBondContact O-CG 3.33Å; Q356-L360 PolarHBondContact O-N 3.48Å; I357-L360 PolarHBondContact O-N 3.23Å
361	V	73.6	Confident	72.2	Confident	28 Å²	28	81.4 Å²	81.4	17%	0.17	40%	0.404	C	S	.	.	H	α-helix	trans	-92.8	-23	-175.2	179.8	0	0	0	0	111.9	L189 I357 L358 R359	L189-V361 HydrophobicContact CB-CG1 3.78Å; L189-V361 HydrophobicContact CD1-CB 4.2Å; L189-V361 HydrophobicContact CD1-CG1 4.1Å; L189-V361 HydrophobicContact CD1-CG2 3.49Å; L189-V361 VanDerWaalsContact CD1-CG2 3.49Å; I357-V361 VanDerWaalsContact O-CG2 3.3Å; I357-V361 WeakPolarHBondContact O-CG2 3.48Å; I357-V361 PolarHBondContact O-N 3.06Å; L358-V361 PolarHBondContact O-N 3.15Å; R359-V361 PolarHBondContact O-N 2.99Å
362	N	71.5	Confident	71	Confident	84 Å²	84	85 Å²	85	45%	0.449	42%	0.419	S	S	.	.	S	Bend	trans	-96.1	5.1	-175.1	-66.5	-25.6	0	0	0	114.7	L358 R359 D364	L358-N362 WeakPolarHBondContact O-CB 3.17Å; L358-N362 PolarHBondContact O-N 3.37Å; L358-N362 PolarHBondContact O-ND2 2.99Å; R359-N362 PolarHBondContact O-N 2.99Å; R359-N362 VanDerWaalsContact O-N 3.1Å; N362-D364 VanDerWaalsContact C-N 3.27Å; N362-D364 PolarHBondContact O-N 2.87Å; N362-D364 VanDerWaalsContact O-N 3.09Å
363	I	60.8	Low	70.4	Confident	131 Å²	131	87.5 Å²	87.5	67%	0.672	43%	0.428	S	S	*	.	S	Bend	trans	-64.6	-16.5	-165.5	-57.5	-168.8	0	0	0	115.1	R359	R359-I363 WeakPolarHBondContact O-CG1 3.41Å
364	D	51.9	Low	70.1	Confident	66 Å²	66	84.2 Å²	84.2	35%	0.353	42%	0.415	S	S	.	.			trans	-159.3	112.9	174.4	-170.7	-9.2	0	0	0	114.4	N362 M366 L367 I368	N362-D364 VanDerWaalsContact C-N 3.27Å; N362-D364 PolarHBondContact O-N 2.87Å; N362-D364 VanDerWaalsContact O-N 3.09Å; D364-M366 VanDerWaalsContact C-N 3.28Å; D364-M366 PolarHBondContact O-N 3.36Å; D364-M366 PolarHBondContact OD1-N 3.42Å; D364-L367 HydrophobicContact CB-CB 4.05Å; D364-L367 HydrophobicContact CB-CD1 3.81Å; D364-L367 HydrophobicContact CB-CG 4.01Å; D364-L367 PolarHBondContact O-N 3.36Å; D364-L367 VanDerWaalsContact O-N 3.1Å; D364-L367 WeakPolarHBondContact OD2-CG 3.32Å; D364-I368 WeakPolarHBondContact O-CG1 3.29Å; D364-I368 PolarHBondContact O-N 3.16Å
365	P	51.7	Low	70.1	Confident	104 Å²	104	83.6 Å²	83.6	68%	0.675	41%	0.412	S	S	*	.	G	3₁₀ helix	trans	-56.7	-29	172.4	-24.4	34.5	0	0	0	116.1	L367 I368	P365-L367 VanDerWaalsContact C-N 3.33Å; P365-I368 HydrophobicContact CB-CD1 4.24Å; P365-I368 WeakPolarHBondContact O-CB 3.5Å; P365-I368 PolarHBondContact O-N 3.35Å
366	M	49.1	Very low	70.2	Confident	174 Å²	174	81.6 Å²	81.6	86%	0.857	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-77.1	-19.2	176.4	-80.4	-161.4	139.9	0	0	113	D364	D364-M366 VanDerWaalsContact C-N 3.28Å; D364-M366 PolarHBondContact O-N 3.36Å; D364-M366 PolarHBondContact OD1-N 3.42Å
367	L	50.2	Low	70.5	Confident	108 Å²	108	78.2 Å²	78.2	57%	0.565	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-88.9	-4.2	172.3	-68.4	172.7	0	0	0	113.6	D364 P365 K369	D364-L367 HydrophobicContact CB-CB 4.05Å; D364-L367 HydrophobicContact CB-CD1 3.81Å; D364-L367 HydrophobicContact CB-CG 4.01Å; D364-L367 PolarHBondContact O-N 3.36Å; D364-L367 VanDerWaalsContact O-N 3.1Å; D364-L367 WeakPolarHBondContact OD2-CG 3.32Å; P365-L367 VanDerWaalsContact C-N 3.33Å; L367-K369 PolarHBondContact O-N 3.27Å
368	I	51.1	Low	70.8	Confident	110 Å²	110	78.5 Å²	78.5	56%	0.564	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-10	-177.9	-67	-177.2	0	0	0	113.3	D364 P365 E370	D364-I368 WeakPolarHBondContact O-CG1 3.29Å; D364-I368 PolarHBondContact O-N 3.16Å; P365-I368 HydrophobicContact CB-CD1 4.24Å; P365-I368 WeakPolarHBondContact O-CB 3.5Å; P365-I368 PolarHBondContact O-N 3.35Å; I368-E370 PolarHBondContact O-N 3.29Å
369	K	44.3	Very low	71.2	Confident	199 Å²	199	77 Å²	77	87%	0.865	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-13.9	-171.2	-123.9	176.2	-177.7	-179.9	0	115.8	L367	L367-K369 PolarHBondContact O-N 3.27Å
370	E	45.4	Very low	71.8	Confident	145 Å²	145	69.7 Å²	69.7	68%	0.678	35%	0.351	S	S	*	.	S	Bend	trans	-151.5	88.8	173.3	-65.3	-175	170.6	0	0	113.9	I368 K372	I368-E370 PolarHBondContact O-N 3.29Å; E370-K372 WeakPolarHBondContact O-CG 3.36Å; E370-K372 PolarHBondContact O-N 3.48Å
371	S	54.2	Low	72.6	Confident	63 Å²	63	70.8 Å²	70.8	44%	0.441	35%	0.354	S	S	.	.			trans	38.5	56.1	143	50.9	0	0	0	0	119.2
372	K	69.8	Low	73.8	Confident	110 Å²	110	69.7 Å²	69.7	48%	0.478	35%	0.348	S	S	.	.			trans	-93.2	-12	-169.3	-61.9	-165.4	178.9	158.4	0	117.6	P339 G340 E370	P339-K372 CarbonylContact C-O 3.55Å; P339-K372 WeakPolarHBondContact CA-O 3.3Å; G340-K372 PolarHBondContact N-O 3.08Å; E370-K372 WeakPolarHBondContact O-CG 3.36Å; E370-K372 PolarHBondContact O-N 3.48Å
373	W	81	Confident	75	Confident	82 Å²	82	66.3 Å²	66.3	31%	0.311	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	139.8	-169.9	-59.8	98.5	0	0	0	113.7	V337 K338 P339 G347	V337-W373 HydrophobicContact CG1-CD2 4.45Å; V337-W373 HydrophobicContact CG1-CE3 3.74Å; V337-W373 HydrophobicContact CG1-CZ3 4.22Å; K338-W373 VanDerWaalsContact C-CE3 3.42Å; K338-W373 WeakPolarHBondContact O-CA 3.28Å; P339-W373 HydrophobicContact CB-CE3 4.23Å; P339-W373 HydrophobicContact CB-CH2 4.41Å; P339-W373 HydrophobicContact CB-CZ3 4.09Å; P339-W373 HydrophobicContact CG-CE3 4.07Å; P339-W373 HydrophobicContact CG-CH2 3.8Å; P339-W373 HydrophobicContact CG-CZ3 3.48Å; P339-W373 VanDerWaalsContact CG-CZ3 3.48Å; G347-W373 WeakPolarHBondContact O-CZ3 3.2Å
374	V	90.1	Very high	76.8	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	150.9	162.9	-62.5	0	0	0	0	109.7	K161 A162 Y187 K338	K161-V374 HydrophobicContact CB-CG2 4.04Å; K161-V374 HydrophobicContact CG-CG2 3.37Å; A162-V374 HydrophobicContact CB-CG1 3.95Å; Y187-V374 CarbonylContact O-C 3.53Å; Y187-V374 WeakPolarHBondContact O-CA 3.47Å; K338-V374 HydrophobicContact CB-CG2 3.96Å; K338-V374 PolarHBondContact N-O 3.08Å; K338-V374 PolarHBondContact O-N 3.15Å
375	V	94.8	Very high	79	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	131.9	166.7	-64	0	0	0	0	108.3	C186 Y187 L189 F198 W335 V337 I357	C186-V375 CarbonylContact C-O 3.52Å; C186-V375 VanDerWaalsContact CA-O 3.27Å; C186-V375 WeakPolarHBondContact CA-O 3.37Å; Y187-V375 HydrophobicContact CD2-CG2 4.47Å; Y187-V375 PolarHBondContact N-O 3.46Å; Y187-V375 PolarHBondContact O-N 3.05Å; L189-V375 HydrophobicContact CD1-CB 4.3Å; L189-V375 HydrophobicContact CD1-CG1 3.37Å; L189-V375 HydrophobicContact CD1-CG2 3.93Å; L189-V375 HydrophobicContact CD2-CG2 3.74Å; L189-V375 HydrophobicContact CG-CG1 4.01Å; L189-V375 HydrophobicContact CG-CG2 3.81Å; F198-V375 HydrophobicContact CB-CG2 4.47Å; F198-V375 HydrophobicContact CD1-CG2 4.26Å; F198-V375 HydrophobicContact CD2-CG2 3.49Å; F198-V375 VanDerWaalsContact CD2-CG2 3.49Å; F198-V375 HydrophobicContact CE1-CG2 4.44Å; F198-V375 HydrophobicContact CE2-CB 4.35Å; F198-V375 HydrophobicContact CE2-CG2 3.72Å; F198-V375 HydrophobicContact CG-CG2 3.78Å; F198-V375 HydrophobicContact CZ-CG2 4.2Å; W335-V375 HydrophobicContact CE3-CB 4.45Å; V337-V375 HydrophobicContact CB-CG1 4.44Å; V337-V375 HydrophobicContact CG1-CG1 4.24Å; V337-V375 HydrophobicContact CG2-CG1 4.03Å; I357-V375 HydrophobicContact CG2-CG1 3.86Å
376	Q	96.9	Very high	81.1	Confident	2 Å²	2	56.8 Å²	56.8	1%	0.009	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	142.7	-179.5	175.7	172.1	54.8	0	0	108.8	K161 P184 R185 C186 I336 Y378	K161-Q376 VanDerWaalsContact NZ-CD 3.29Å; P184-Q376 HydrophobicContact CB-CG 3.95Å; P184-Q376 WeakPolarHBondContact O-CG 3.27Å; P184-Q376 PolarHBondContact O-NE2 3.28Å; R185-Q376 CarbonylContact O-C 3.48Å; R185-Q376 WeakPolarHBondContact O-CA 3.36Å; C186-Q376 HydrophobicContact CB-CB 4.18Å; C186-Q376 HydrophobicContact CB-CG 4.26Å; I336-Q376 HydrophobicContact CG2-CB 3.91Å; I336-Q376 HydrophobicContact CG2-CG 4.41Å; I336-Q376 VanDerWaalsContact CG2-O 3.29Å; I336-Q376 WeakPolarHBondContact CG2-O 3.45Å; I336-Q376 PolarHBondContact N-O 3.15Å; I336-Q376 PolarHBondContact O-N 2.87Å; Q376-Y378 PolarHBondContact O-N 3.15Å
377	K	98	Very high	83.3	Confident	2 Å²	2	54 Å²	54	1%	0.009	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	128.9	175.3	-176.5	70.9	-174	71.3	0	109.3	R185 T205 D329 I334 W335 E380	R185-K377 HydrophobicContact CG-CB 3.79Å; R185-K377 PolarHBondContact O-N 2.59Å; T205-K377 HydrophobicContact CG2-CD 4.44Å; D329-K377 WeakPolarHBondContact OD1-CE 3.28Å; D329-K377 WeakPolarHBondContact OD1-CG 3.09Å; D329-K377 IonicContact OD1-NZ 3.87Å; I334-K377 PolarHBondContact O-NZ 2.86Å; W335-K377 HydrophobicContact CD2-CD 4.19Å; W335-K377 HydrophobicContact CE3-CB 4.23Å; W335-K377 VanDerWaalsContact CE3-N 3.32Å; W335-K377 HydrophobicContact CH2-CB 3.96Å; W335-K377 HydrophobicContact CH2-CD 4.13Å; W335-K377 HydrophobicContact CZ2-CB 4.39Å; W335-K377 HydrophobicContact CZ2-CD 3.69Å; W335-K377 HydrophobicContact CZ3-CB 3.88Å; W335-K377 VanDerWaalsContact CZ3-N 3.31Å; K377-E380 IonicContact NZ-OE1 2.63Å; K377-E380 PolarHBondContact NZ-OE1 3.06Å
378	Y	98.2	Very high	85.5	Confident	6 Å²	6	48.9 Å²	48.9	2%	0.024	23%	0.233	C	C	.	.			trans	-78.8	135.4	175.6	-174.2	-97	0	0	0	110.2	I334 I336 Q376 E380 K389 Y421 L423 H431	I334-Y378 HydrophobicContact CB-CD1 4.12Å; I334-Y378 HydrophobicContact CB-CG 4.3Å; I334-Y378 HydrophobicContact CD1-CD1 4.47Å; I334-Y378 HydrophobicContact CG2-CD1 4.04Å; I334-Y378 HydrophobicContact CG2-CG 3.97Å; I334-Y378 WeakPolarHBondContact O-CB 3.23Å; I334-Y378 PolarHBondContact O-N 3.12Å; I336-Y378 HydrophobicContact CB-CD2 4.28Å; I336-Y378 HydrophobicContact CD1-CD2 4.47Å; Q376-Y378 PolarHBondContact O-N 3.15Å; Y378-E380 HydrophobicContact CD1-CG 3.95Å; Y378-E380 PolarHBondContact O-N 3.16Å; Y378-K389 PolarHBondContact OH-NZ 2.92Å; Y378-Y421 WeakPolarHBondContact CE1-OH 3.25Å; Y378-L423 HydrophobicContact CE1-CD2 4.15Å; Y378-H431 HydrophobicContact CE2-CB 4.23Å; Y378-H431 AromaticContact CZ-ND1 3.63Å; Y378-H431 WeakPolarHBondContact OH-CB 3.4Å; Y378-H431 PolarHBondContact OH-ND1 3.15Å
379	I	98.2	Very high	87.7	Confident	2 Å²	2	44 Å²	44	1%	0.01	21%	0.208	C	C	.	.			trans	-76.2	101.4	172.9	-56.3	-170	0	0	0	107.8	P184 I328 P382 Y421 M513 W521 I523	P184-I379 HydrophobicContact CG-CD1 3.91Å; P184-I379 HydrophobicContact CG-CG1 4.14Å; I328-I379 HydrophobicContact CB-CG2 4.05Å; I328-I379 HydrophobicContact CD1-CD1 4.39Å; I328-I379 HydrophobicContact CD1-CG1 4.08Å; I328-I379 HydrophobicContact CG2-CG2 4.15Å; I379-P382 HydrophobicContact CG2-CB 4.06Å; I379-Y421 PolarHBondContact O-OH 2.84Å; I379-M513 HydrophobicContact CB-CE 3.54Å; I379-M513 HydrophobicContact CD1-CB 4.27Å; I379-M513 HydrophobicContact CD1-CE 3.6Å; I379-M513 HydrophobicContact CG1-CE 3.72Å; I379-M513 HydrophobicContact CG2-CE 4.21Å; I379-W521 HydrophobicContact CD1-CB 3.6Å; I379-W521 HydrophobicContact CD1-CD2 4.36Å; I379-W521 HydrophobicContact CD1-CG 3.68Å; I379-I523 HydrophobicContact CD1-CD1 4.33Å
380	E	97.6	Very high	90.3	Very high	5 Å²	5	34.6 Å²	34.6	2%	0.023	17%	0.167	C	C	.	.	S	Bend	trans	-83.1	-22.1	-177.6	-71.6	175.5	-126.4	0	0	112.4	I328 G330 T331 Q332 N333 I334 K377 Y378 P382 Y421 L423	I328-E380 PolarHBondContact O-N 2.76Å; G330-E380 WeakPolarHBondContact CA-OE2 3.49Å; T331-E380 PolarHBondContact N-OE2 3.48Å; Q332-E380 WeakPolarHBondContact CB-OE2 3.18Å; Q332-E380 PolarHBondContact N-OE2 3.43Å; N333-E380 PolarHBondContact N-OE1 2.68Å; I334-E380 HydrophobicContact CB-CG 4.12Å; I334-E380 HydrophobicContact CD1-CG 3.95Å; I334-E380 HydrophobicContact CG1-CG 3.98Å; I334-E380 PolarHBondContact N-OE1 3.18Å; K377-E380 IonicContact NZ-OE1 2.63Å; K377-E380 PolarHBondContact NZ-OE1 3.06Å; Y378-E380 HydrophobicContact CD1-CG 3.95Å; Y378-E380 PolarHBondContact O-N 3.16Å; E380-P382 VanDerWaalsContact O-CD 3.28Å; E380-P382 WeakPolarHBondContact O-CD 3.36Å; E380-Y421 WeakPolarHBondContact CA-OH 3.41Å; E380-Y421 PolarHBondContact O-OH 2.86Å; E380-L423 HydrophobicContact CB-CD1 4.03Å; E380-L423 HydrophobicContact CG-CD1 4.29Å
381	K	96.5	Very high	92.8	Very high	65 Å²	65	28.3 Å²	28.3	28%	0.283	14%	0.138	S	C	.	.	S	Bend	trans	-118.1	62.4	177.6	-63.1	-175.5	176.9	-177.1	0	111.3	E216 I328 L516	E216-K381 IonicContact OE1-NZ 2.88Å; E216-K381 PolarHBondContact OE1-NZ 3Å; I328-K381 PolarHBondContact O-N 2.97Å; K381-L516 HydrophobicContact CB-CD1 4.09Å; K381-L516 HydrophobicContact CB-CG 4.3Å; K381-L516 HydrophobicContact CD-CD1 4.46Å
382	P	97.8	Very high	94.9	Very high	5 Å²	5	25.3 Å²	25.3	3%	0.032	12%	0.117	C	C	.	.	B	Isolated β-bridge	trans	-72.1	158	175.6	33.5	-35.5	0	0	0	110.7	I379 E380 L384 Y421 L514	I379-P382 HydrophobicContact CG2-CB 4.06Å; E380-P382 VanDerWaalsContact O-CD 3.28Å; E380-P382 WeakPolarHBondContact O-CD 3.36Å; P382-L384 HydrophobicContact CG-CD2 3.93Å; P382-L384 PolarHBondContact O-N 2.85Å; P382-Y421 WeakPolarHBondContact CD-OH 3.34Å; P382-Y421 HydrophobicContact CG-CE1 4.05Å; P382-Y421 HydrophobicContact CG-CE2 4.03Å; P382-L514 CarbonylContact C-O 3.58Å; P382-L514 WeakPolarHBondContact CA-O 3.26Å
383	F	98.1	Very high	96.3	Very high	13 Å²	13	20.6 Å²	20.6	6%	0.057	10%	0.097	C	C	.	.			trans	-61.7	134.6	162.4	-164.5	-103.5	0	0	0	109.3	V385 F390 F462 F465 L466 L514 D515 L518	F383-V385 HydrophobicContact CD1-CG2 4.49Å; F383-V385 HydrophobicContact CE1-CG2 4.25Å; F383-F390 HydrophobicContact CB-CE1 4.46Å; F383-F390 AromaticContact CD1-CE1 3.82Å; F383-F390 HydrophobicContact CD1-CE1 3.82Å; F383-F390 AromaticContact CD1-CZ 3.9Å; F383-F390 HydrophobicContact CD1-CZ 3.9Å; F383-F390 WeakPolarHBondContact O-CE1 3.29Å; F383-F462 HydrophobicContact CD1-CE2 4.24Å; F383-F462 HydrophobicContact CD1-CZ 4.15Å; F383-F462 AromaticContact CE1-CE2 3.9Å; F383-F462 HydrophobicContact CE1-CE2 3.9Å; F383-F462 AromaticContact CE1-CZ 3.97Å; F383-F462 HydrophobicContact CE1-CZ 3.97Å; F383-F465 AromaticContact CE1-CE1 3.85Å; F383-F465 HydrophobicContact CE1-CE1 3.85Å; F383-F465 HydrophobicContact CZ-CE1 4.05Å; F383-L466 HydrophobicContact CE1-CD2 4.14Å; F383-L466 HydrophobicContact CZ-CD2 3.87Å; F383-L514 HydrophobicContact CB-CB 3.93Å; F383-L514 PolarHBondContact N-O 3.19Å; F383-D515 WeakPolarHBondContact CB-O 3.25Å; F383-L518 HydrophobicContact CB-CD2 4.46Å; F383-L518 HydrophobicContact CD1-CD2 3.91Å; F383-L518 HydrophobicContact CD2-CD2 3.65Å; F383-L518 HydrophobicContact CD2-CG 4.3Å; F383-L518 HydrophobicContact CE1-CD2 4.01Å; F383-L518 HydrophobicContact CE2-CD2 3.76Å; F383-L518 HydrophobicContact CE2-CG 4.3Å; F383-L518 HydrophobicContact CG-CD2 3.74Å; F383-L518 HydrophobicContact CZ-CD2 3.94Å
384	L	97.8	Very high	97.2	Very high	50 Å²	50	16.8 Å²	16.8	26%	0.262	8%	0.082	S	C	.	.			trans	-116.4	143	178.9	-59.3	178.8	0	0	0	109.9	P382 K389 Y421	P382-L384 HydrophobicContact CG-CD2 3.93Å; P382-L384 PolarHBondContact O-N 2.85Å; L384-K389 HydrophobicContact CD2-CB 4.29Å; L384-Y421 HydrophobicContact CD1-CD1 3.92Å; L384-Y421 HydrophobicContact CD1-CG 4.28Å; L384-Y421 HydrophobicContact CD2-CD1 4.06Å; L384-Y421 HydrophobicContact CD2-CD2 4.45Å; L384-Y421 HydrophobicContact CD2-CG 3.83Å
385	V	97.7	Very high	97.6	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.082	C	C	.	.	B	Isolated β-bridge	trans	-109.2	116.2	168.6	172.6	0	0	0	0	106.5	F383 D387 T388 F390 F416 I451 W457 F462 F465	F383-V385 HydrophobicContact CD1-CG2 4.49Å; F383-V385 HydrophobicContact CE1-CG2 4.25Å; V385-D387 VanDerWaalsContact C-N 3.28Å; V385-D387 PolarHBondContact O-N 3.05Å; V385-T388 PolarHBondContact N-O 3.25Å; V385-T388 WeakPolarHBondContact O-CA 3.41Å; V385-T388 VanDerWaalsContact O-CB 3.32Å; V385-T388 WeakPolarHBondContact O-CB 3.19Å; V385-T388 PolarHBondContact O-N 3.49Å; V385-F390 HydrophobicContact CB-CD1 4.49Å; V385-F390 HydrophobicContact CG2-CD1 3.96Å; V385-F390 HydrophobicContact CG2-CE1 3.65Å; V385-F390 HydrophobicContact CG2-CZ 4.32Å; V385-F416 HydrophobicContact CB-CE1 3.83Å; V385-F416 HydrophobicContact CB-CZ 4.46Å; V385-F416 HydrophobicContact CG1-CE1 4.1Å; V385-F416 HydrophobicContact CG1-CZ 4.36Å; V385-F416 HydrophobicContact CG2-CE1 4.21Å; V385-I451 HydrophobicContact CB-CD1 4.46Å; V385-I451 HydrophobicContact CG1-CD1 3.78Å; V385-W457 HydrophobicContact CB-CZ3 4.41Å; V385-W457 HydrophobicContact CG1-CE3 4.38Å; V385-W457 HydrophobicContact CG1-CH2 3.32Å; V385-W457 HydrophobicContact CG1-CZ2 4.36Å; V385-W457 HydrophobicContact CG1-CZ3 3.34Å; V385-W457 HydrophobicContact CG2-CZ3 4.27Å; V385-F462 HydrophobicContact CG2-CD2 4.1Å; V385-F462 HydrophobicContact CG2-CE2 3.73Å; V385-F465 HydrophobicContact CB-CE1 4.39Å; V385-F465 HydrophobicContact CB-CZ 4.29Å; V385-F465 HydrophobicContact CG1-CD2 4.17Å; V385-F465 HydrophobicContact CG1-CE1 4.32Å; V385-F465 HydrophobicContact CG1-CE2 3.96Å; V385-F465 HydrophobicContact CG1-CG 4.44Å; V385-F465 HydrophobicContact CG1-CZ 4.02Å; V385-F465 HydrophobicContact CG2-CD1 4.14Å; V385-F465 HydrophobicContact CG2-CE1 3.87Å; V385-F465 HydrophobicContact CG2-CZ 4.27Å
386	H	96	Very high	97.8	Very high	51 Å²	51	16.8 Å²	16.8	24%	0.236	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.6	53.4	-175.9	-53.1	-66.1	0	0	0	112.3	T388 H448 C450 I451 F465	H386-T388 PolarHBondContact O-N 3.4Å; H386-T388 PolarHBondContact O-OG1 3.41Å; H386-T388 VanDerWaalsContact O-OG1 3.05Å; H386-H448 HydrophobicContact CB-CB 3.42Å; H386-H448 VanDerWaalsContact CB-CB 3.42Å; H386-H448 AromaticContact CD2-ND1 3.94Å; H386-H448 AromaticContact CE1-CE1 3.87Å; H386-H448 AromaticContact CG-CG 3.74Å; H386-H448 AromaticContact CG-ND1 3.65Å; H386-H448 AromaticContact ND1-CE1 3.72Å; H386-H448 AromaticContact ND1-CG 3.91Å; H386-H448 AromaticContact ND1-ND1 3.69Å; H386-H448 AromaticContact ND1-NE2 3.93Å; H386-C450 WeakPolarHBondContact NE2-CB 3.42Å; H386-I451 HydrophobicContact CB-CD1 4.32Å; H386-I451 HydrophobicContact CB-CG1 4.37Å; H386-F465 AromaticContact CE1-CE2 3.75Å; H386-F465 AromaticContact NE2-CD2 3.93Å; H386-F465 AromaticContact NE2-CE2 3.75Å
387	D	95.8	Very high	97.8	Very high	116 Å²	116	16.7 Å²	16.7	62%	0.62	8%	0.082	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.4	16	-177.7	-52.3	-43.6	0	0	0	115.1	V385 P420 Y421	V385-D387 VanDerWaalsContact C-N 3.28Å; V385-D387 PolarHBondContact O-N 3.05Å; D387-P420 CarbonylContact O-C 3.57Å; D387-P420 WeakPolarHBondContact O-CA 3.36Å; D387-Y421 WeakPolarHBondContact O-CB 3.44Å; D387-Y421 PolarHBondContact O-N 2.64Å
388	T	96.9	Very high	97.8	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	129.8	-176.4	-53.5	0	0	0	0	110.2	V385 H386 F416 S417	V385-T388 PolarHBondContact N-O 3.25Å; V385-T388 WeakPolarHBondContact O-CA 3.41Å; V385-T388 VanDerWaalsContact O-CB 3.32Å; V385-T388 WeakPolarHBondContact O-CB 3.19Å; V385-T388 PolarHBondContact O-N 3.49Å; H386-T388 PolarHBondContact O-N 3.4Å; H386-T388 PolarHBondContact O-OG1 3.41Å; H386-T388 VanDerWaalsContact O-OG1 3.05Å; T388-F416 HydrophobicContact CG2-CB 4.24Å; T388-F416 HydrophobicContact CG2-CD1 4.16Å; T388-S417 WeakPolarHBondContact CG2-O 3.38Å
389	K	97.9	Very high	97.7	Very high	7 Å²	7	17.9 Å²	17.9	3%	0.03	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	143.2	177.1	-171.7	-176.3	179.7	-179.2	0	111.2	Y378 L384 S417 Y421 H431 M513	Y378-K389 PolarHBondContact OH-NZ 2.92Å; L384-K389 HydrophobicContact CD2-CB 4.29Å; K389-S417 PolarHBondContact O-N 2.94Å; K389-Y421 HydrophobicContact CB-CD2 3.8Å; K389-Y421 HydrophobicContact CB-CG 4.44Å; K389-Y421 HydrophobicContact CD-CD2 3.95Å; K389-Y421 HydrophobicContact CD-CE2 3.88Å; K389-Y421 HydrophobicContact CG-CD2 4.23Å; K389-Y421 HydrophobicContact CG-CE2 4.47Å; K389-H431 PolarHBondContact NZ-O 3.06Å; K389-M513 WeakPolarHBondContact CE-SD 3.2Å
390	F	98.1	Very high	97.5	Very high	3 Å²	3	19.1 Å²	19.1	1%	0.013	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	166.3	172.3	69.8	-79.4	0	0	0	112.7	F383 V385 V392 L414 R415 F416 F462 L514	F383-F390 HydrophobicContact CB-CE1 4.46Å; F383-F390 AromaticContact CD1-CE1 3.82Å; F383-F390 HydrophobicContact CD1-CE1 3.82Å; F383-F390 AromaticContact CD1-CZ 3.9Å; F383-F390 HydrophobicContact CD1-CZ 3.9Å; F383-F390 WeakPolarHBondContact O-CE1 3.29Å; V385-F390 HydrophobicContact CB-CD1 4.49Å; V385-F390 HydrophobicContact CG2-CD1 3.96Å; V385-F390 HydrophobicContact CG2-CE1 3.65Å; V385-F390 HydrophobicContact CG2-CZ 4.32Å; F390-V392 HydrophobicContact CD2-CG2 4.35Å; F390-V392 HydrophobicContact CE2-CG2 4.01Å; F390-L414 HydrophobicContact CD2-CB 4.12Å; F390-L414 HydrophobicContact CD2-CD2 3.44Å; F390-L414 VanDerWaalsContact CD2-CD2 3.44Å; F390-L414 HydrophobicContact CD2-CG 3.67Å; F390-L414 HydrophobicContact CE2-CD2 3.45Å; F390-L414 VanDerWaalsContact CE2-CD2 3.45Å; F390-L414 HydrophobicContact CE2-CG 3.92Å; F390-L414 HydrophobicContact CG-CD2 4.16Å; F390-L414 HydrophobicContact CZ-CD2 4.2Å; F390-R415 CarbonylContact C-O 3.48Å; F390-R415 WeakPolarHBondContact CA-O 3.38Å; F390-R415 VanDerWaalsContact CB-O 3.22Å; F390-R415 WeakPolarHBondContact CB-O 3.45Å; F390-F416 HydrophobicContact CB-CD1 3.62Å; F390-F416 HydrophobicContact CB-CE1 3.68Å; F390-F416 HydrophobicContact CB-CG 4.27Å; F390-F416 HydrophobicContact CB-CZ 4.42Å; F390-F416 HydrophobicContact CD1-CE1 4.11Å; F390-F416 HydrophobicContact CG-CD1 4.42Å; F390-F416 HydrophobicContact CG-CE1 4.01Å; F390-F462 HydrophobicContact CE1-CE2 4.41Å; F390-F462 HydrophobicContact CE2-CE2 4.32Å; F390-F462 HydrophobicContact CE2-CZ 4.37Å; F390-F462 AromaticContact CZ-CE2 3.79Å; F390-F462 HydrophobicContact CZ-CE2 3.79Å; F390-F462 AromaticContact CZ-CZ 3.88Å; F390-F462 HydrophobicContact CZ-CZ 3.88Å; F390-L514 HydrophobicContact CE2-CD1 4.29Å; F390-L514 HydrophobicContact CE2-CG 4.43Å; F390-L514 HydrophobicContact CZ-CD1 4.13Å; F390-L514 HydrophobicContact CZ-CG 4.4Å
391	D	98.2	Very high	97.2	Very high	13 Å²	13	19 Å²	19	7%	0.07	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	164.3	161.8	64.2	31.8	0	0	0	110.4	L414 R415 C433 F512 M513	D391-L414 CarbonylContact O-C 3.15Å; D391-L414 VanDerWaalsContact O-CA 3.25Å; D391-L414 WeakPolarHBondContact O-CA 3.37Å; D391-R415 PolarHBondContact N-O 3.43Å; D391-R415 VanDerWaalsContact N-O 3.07Å; D391-R415 PolarHBondContact O-N 3.23Å; D391-R415 WeakPolarHBondContact OD1-CB 3.43Å; D391-R415 IonicContact OD1-CZ 3.87Å; D391-R415 VanDerWaalsContact OD1-CZ 3.25Å; D391-R415 IonicContact OD1-NE 2.7Å; D391-R415 PolarHBondContact OD1-NE 3.03Å; D391-R415 IonicContact OD1-NH2 3.05Å; D391-R415 PolarHBondContact OD1-NH2 3.04Å; D391-R415 IonicContact OD2-CZ 2.73Å; D391-R415 IonicContact OD2-NE 3.84Å; D391-R415 IonicContact OD2-NH2 2.71Å; D391-R415 PolarHBondContact OD2-NH2 3.24Å; D391-C433 HydrophobicContact CB-CB 4.44Å; D391-C433 WeakPolarHBondContact OD2-CB 3.41Å; D391-F512 CarbonylContact C-O 3.52Å; D391-F512 VanDerWaalsContact CA-O 3.28Å; D391-F512 WeakPolarHBondContact CA-O 3.29Å; D391-F512 WeakPolarHBondContact CB-O 3.22Å; D391-M513 HydrophobicContact CB-CG 4.08Å
392	V	98.6	Very high	96.8	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	123.2	178	-177.9	0	0	0	0	108.7	F390 C412 L414 M483 D511 F512	F390-V392 HydrophobicContact CD2-CG2 4.35Å; F390-V392 HydrophobicContact CE2-CG2 4.01Å; V392-C412 HydrophobicContact CG1-CB 4.05Å; V392-L414 HydrophobicContact CG2-CD1 4.26Å; V392-L414 HydrophobicContact CG2-CG 4.11Å; V392-M483 HydrophobicContact CG1-SD 4.11Å; V392-D511 WeakPolarHBondContact O-CA 3.48Å; V392-F512 HydrophobicContact CB-CB 4.34Å; V392-F512 PolarHBondContact N-O 2.78Å; V392-F512 PolarHBondContact O-N 2.88Å
393	R	98.4	Very high	96.5	Very high	10 Å²	10	18.3 Å²	18.3	4%	0.038	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	108.3	168	169.5	55.9	54.5	71.4	-6	109.4	C412 Y413 D511 N526	R393-C412 VanDerWaalsContact O-CB 3.25Å; R393-C412 WeakPolarHBondContact O-CB 3.44Å; R393-Y413 HydrophobicContact CB-CD1 4.13Å; R393-Y413 HydrophobicContact CB-CD2 4.2Å; R393-Y413 HydrophobicContact CB-CE1 3.73Å; R393-Y413 HydrophobicContact CB-CE2 3.82Å; R393-Y413 HydrophobicContact CB-CG 4.36Å; R393-Y413 HydrophobicContact CG-CD1 4.12Å; R393-Y413 HydrophobicContact CG-CE1 3.37Å; R393-Y413 HydrophobicContact CG-CE2 4.21Å; R393-Y413 VanDerWaalsContact CG-CZ 3.43Å; R393-Y413 PolarHBondContact N-O 2.69Å; R393-Y413 PolarHBondContact NH1-OH 2.96Å; R393-Y413 PolarHBondContact O-N 3.06Å; R393-D511 IonicContact CZ-OD1 3.81Å; R393-D511 IonicContact NE-OD1 3.33Å; R393-D511 PolarHBondContact NE-OD1 3.44Å; R393-D511 VanDerWaalsContact NH2-CG 3.31Å; R393-D511 IonicContact NH2-OD1 3.88Å; R393-D511 PolarHBondContact NH2-OD1 2.89Å; R393-D511 IonicContact NH2-OD2 2.78Å; R393-D511 PolarHBondContact NH2-OD2 2.97Å; R393-N526 PolarHBondContact NH2-OD1 3.21Å
394	Q	98.8	Very high	96.3	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.009	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	128.5	177.6	179.1	55.7	64.1	0	0	111.1	F408 Y409 M483 G509 A510 F512	Q394-F408 VanDerWaalsContact CD-CE1 3.44Å; Q394-F408 HydrophobicContact CG-CD2 4.3Å; Q394-F408 HydrophobicContact CG-CE1 4.22Å; Q394-F408 HydrophobicContact CG-CE2 3.39Å; Q394-F408 HydrophobicContact CG-CZ 3.36Å; Q394-Y409 PolarHBondContact NE2-O 2.74Å; Q394-M483 HydrophobicContact CB-SD 4.15Å; Q394-M483 HydrophobicContact CG-SD 4.31Å; Q394-G509 CarbonylContact O-C 3.54Å; Q394-G509 WeakPolarHBondContact O-CA 3.15Å; Q394-A510 PolarHBondContact N-O 2.81Å; Q394-A510 PolarHBondContact O-N 3.44Å; Q394-F512 HydrophobicContact CB-CD2 4.16Å; Q394-F512 HydrophobicContact CB-CE2 4.15Å
395	W	98.8	Very high	96.3	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	144.3	173.6	-66.9	-66.6	0	0	0	112.7	Y409 Y413 L507 Y508 L541 V545	W395-Y409 AromaticContact CE3-CD1 3.85Å; W395-Y409 HydrophobicContact CE3-CD1 3.85Å; W395-Y409 HydrophobicContact CE3-CE1 4.34Å; W395-Y409 HydrophobicContact CZ3-CD1 4.43Å; W395-Y409 WeakPolarHBondContact O-CB 3.49Å; W395-Y409 PolarHBondContact O-N 2.74Å; W395-Y413 AromaticContact CH2-CD1 3.77Å; W395-Y413 HydrophobicContact CH2-CD1 3.77Å; W395-Y413 AromaticContact CH2-CE1 3.53Å; W395-Y413 HydrophobicContact CH2-CE1 3.53Å; W395-Y413 HydrophobicContact CZ2-CD1 4.27Å; W395-Y413 AromaticContact CZ2-CE1 3.57Å; W395-Y413 HydrophobicContact CZ2-CE1 3.57Å; W395-Y413 HydrophobicContact CZ3-CD1 4.15Å; W395-Y413 HydrophobicContact CZ3-CE1 4.27Å; W395-L507 HydrophobicContact CB-CD1 4.32Å; W395-Y508 WeakPolarHBondContact CA-O 3.24Å; W395-L541 HydrophobicContact CH2-CB 3.64Å; W395-L541 HydrophobicContact CH2-CD1 4.42Å; W395-L541 HydrophobicContact CZ3-CB 3.71Å; W395-L541 HydrophobicContact CZ3-CD1 4.11Å; W395-L541 HydrophobicContact CZ3-CG 4.5Å; W395-V545 HydrophobicContact CB-CG2 4.32Å; W395-V545 HydrophobicContact CD2-CG1 4.39Å; W395-V545 HydrophobicContact CD2-CG2 4.29Å; W395-V545 HydrophobicContact CE3-CB 4.39Å; W395-V545 HydrophobicContact CE3-CG1 4.45Å; W395-V545 HydrophobicContact CE3-CG2 4.33Å; W395-V545 HydrophobicContact CG-CG2 4.33Å; W395-V545 HydrophobicContact CH2-CG1 4.4Å; W395-V545 HydrophobicContact CZ2-CG1 4.33Å; W395-V545 HydrophobicContact CZ3-CG1 4.48Å
396	F	98.8	Very high	96.3	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	151.5	167.6	69.3	-87.7	0	0	0	109.9	V398 V406 W407 V487 L491 Y508 A510 I525	F396-V398 HydrophobicContact CD2-CG2 4.08Å; F396-V398 HydrophobicContact CE2-CG2 3.92Å; F396-V406 HydrophobicContact CD2-CG1 4.22Å; F396-W407 CarbonylContact C-O 3.5Å; F396-W407 WeakPolarHBondContact CA-O 3.49Å; F396-W407 VanDerWaalsContact CB-O 3.31Å; F396-W407 WeakPolarHBondContact CB-O 3.17Å; F396-V487 HydrophobicContact CB-CG1 4.29Å; F396-V487 HydrophobicContact CD1-CG1 3.89Å; F396-V487 HydrophobicContact CD1-CG2 3.96Å; F396-V487 HydrophobicContact CD2-CG1 3.78Å; F396-V487 HydrophobicContact CE1-CG1 4.09Å; F396-V487 HydrophobicContact CE1-CG2 4.16Å; F396-V487 HydrophobicContact CE2-CG1 3.99Å; F396-V487 HydrophobicContact CG-CG1 3.72Å; F396-V487 HydrophobicContact CZ-CG1 4.12Å; F396-L491 HydrophobicContact CD2-CD1 4.2Å; F396-L491 HydrophobicContact CE2-CD1 3.82Å; F396-L491 HydrophobicContact CE2-CD2 3.94Å; F396-L491 HydrophobicContact CE2-CG 4.29Å; F396-L491 HydrophobicContact CZ-CD2 4.38Å; F396-Y508 HydrophobicContact CD2-CD2 4.06Å; F396-Y508 VanDerWaalsContact CE1-CB 3.45Å; F396-Y508 HydrophobicContact CE1-CG 4.37Å; F396-Y508 AromaticContact CE2-CD2 3.41Å; F396-Y508 HydrophobicContact CE2-CD2 3.41Å; F396-Y508 VanDerWaalsContact CE2-CD2 3.41Å; F396-Y508 HydrophobicContact CE2-CE2 4.31Å; F396-Y508 AromaticContact CE2-CG 3.75Å; F396-Y508 HydrophobicContact CE2-CG 3.75Å; F396-Y508 AromaticContact CZ-CD2 3.85Å; F396-Y508 HydrophobicContact CZ-CD2 3.85Å; F396-Y508 AromaticContact CZ-CG 3.68Å; F396-Y508 HydrophobicContact CZ-CG 3.68Å; F396-Y508 PolarHBondContact N-O 3.43Å; F396-Y508 VanDerWaalsContact N-O 3.14Å; F396-Y508 PolarHBondContact O-N 2.88Å; F396-A510 HydrophobicContact CD1-CB 4.31Å; F396-A510 HydrophobicContact CE1-CB 4.04Å; F396-I525 HydrophobicContact CE1-CG2 3.98Å; F396-I525 HydrophobicContact CZ-CD1 4.35Å; F396-I525 HydrophobicContact CZ-CG2 3.8Å
397	L	98.6	Very high	96.5	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	126.6	-176.6	171.2	72.8	0	0	0	108.8	T399 W407 F505 L507 T549 V552 V553 F567	L397-T399 HydrophobicContact CD2-CG2 3.9Å; L397-T399 HydrophobicContact CG-CG2 3.94Å; L397-W407 HydrophobicContact CB-CB 4.19Å; L397-W407 PolarHBondContact N-O 2.63Å; L397-W407 PolarHBondContact O-N 3.45Å; L397-F505 HydrophobicContact CD1-CB 4.2Å; L397-F505 HydrophobicContact CD1-CD2 3.7Å; L397-F505 HydrophobicContact CD1-CG 4.37Å; L397-L507 HydrophobicContact CB-CD1 4.24Å; L397-L507 HydrophobicContact CD1-CB 4.41Å; L397-T549 HydrophobicContact CD1-CG2 4.08Å; L397-T549 HydrophobicContact CD2-CG2 4.23Å; L397-V552 HydrophobicContact CD2-CB 3.89Å; L397-V552 HydrophobicContact CD2-CG1 3.71Å; L397-V552 HydrophobicContact CD2-CG2 4.36Å; L397-V553 HydrophobicContact CD2-CG1 4.25Å; L397-F567 HydrophobicContact CB-CD1 4.29Å; L397-F567 HydrophobicContact CB-CE1 3.61Å; L397-F567 HydrophobicContact CB-CZ 3.85Å; L397-F567 HydrophobicContact CD2-CE2 4.39Å; L397-F567 HydrophobicContact CD2-CZ 4.33Å
398	V	97.4	Very high	96.6	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	124.4	170.4	-178.3	0	0	0	0	107.9	F152 F396 D400 W401 L404 L491 F505 E506 Y508	F152-V398 HydrophobicContact CE2-CB 4.03Å; F152-V398 HydrophobicContact CE2-CG1 4.02Å; F152-V398 HydrophobicContact CZ-CB 4.41Å; F152-V398 HydrophobicContact CZ-CG1 4.02Å; F396-V398 HydrophobicContact CD2-CG2 4.08Å; F396-V398 HydrophobicContact CE2-CG2 3.92Å; V398-D400 WeakPolarHBondContact CG1-O 3.34Å; V398-W401 HydrophobicContact CG1-CD2 4.25Å; V398-W401 HydrophobicContact CG1-CZ2 3.99Å; V398-W401 HydrophobicContact CG2-CZ2 4.46Å; V398-L404 HydrophobicContact CG1-CD1 4.25Å; V398-L491 HydrophobicContact CG2-CD1 3.89Å; V398-L491 HydrophobicContact CG2-CD2 4.05Å; V398-F505 CarbonylContact O-C 3.53Å; V398-F505 WeakPolarHBondContact O-CA 3.1Å; V398-F505 WeakPolarHBondContact O-CB 3.26Å; V398-E506 PolarHBondContact N-O 3.41Å; V398-E506 PolarHBondContact O-N 3.07Å; V398-Y508 HydrophobicContact CB-CE2 4.02Å; V398-Y508 HydrophobicContact CG2-CD2 4.01Å; V398-Y508 HydrophobicContact CG2-CE2 3.77Å
399	T	95.9	Very high	96.7	Very high	34 Å²	34	9.2 Å²	9.2	21%	0.209	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	-14.4	-177.8	49.8	0	0	0	0	113.3	L397 T405 W407 F505 V552 V553	L397-T399 HydrophobicContact CD2-CG2 3.9Å; L397-T399 HydrophobicContact CG-CG2 3.94Å; T399-T405 PolarHBondContact N-O 2.92Å; T399-T405 VanDerWaalsContact N-O 3.1Å; T399-T405 WeakPolarHBondContact OG1-CG2 3.2Å; T399-T405 PolarHBondContact OG1-O 3.01Å; T399-W407 PolarHBondContact OG1-NE1 3.45Å; T399-F505 HydrophobicContact CG2-CB 4.33Å; T399-V552 HydrophobicContact CG2-CG1 3.94Å; T399-V553 HydrophobicContact CG2-CG1 4.24Å
400	D	93.4	Very high	96.7	Very high	27 Å²	27	14 Å²	14	14%	0.144	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	148.3	-177.1	-156	-20.7	0	0	0	109.3	V398 N402 P403 L404 T405 K502	V398-D400 WeakPolarHBondContact CG1-O 3.34Å; D400-N402 PolarHBondContact OD1-N 3.05Å; D400-N402 VanDerWaalsContact OD1-N 3.08Å; D400-P403 CarbonylContact C-O 3.5Å; D400-P403 WeakPolarHBondContact CB-O 3.48Å; D400-L404 WeakPolarHBondContact O-CA 3.26Å; D400-T405 PolarHBondContact O-N 3.45Å; D400-K502 IonicContact OD1-NZ 2.97Å; D400-K502 PolarHBondContact OD1-NZ 3.2Å; D400-K502 IonicContact OD2-NZ 2.74Å; D400-K502 PolarHBondContact OD2-NZ 3.23Å
401	W	91.8	Very high	96.7	Very high	4 Å²	4	15.9 Å²	15.9	2%	0.015	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	-11.8	175.7	-71.7	95.5	0	0	0	112.3	F152 F158 V398 L404 L491 Q495 I498	F152-W401 AromaticContact CD1-CD1 3.7Å; F152-W401 AromaticContact CD1-NE1 3.65Å; F152-W401 AromaticContact CD2-NE1 3.45Å; F152-W401 AromaticContact CE1-CD1 3.35Å; F152-W401 AromaticContact CE1-NE1 3.47Å; F152-W401 AromaticContact CE2-CD1 3.99Å; F152-W401 AromaticContact CE2-NE1 3.24Å; F152-W401 AromaticContact CG-NE1 3.67Å; F152-W401 AromaticContact CZ-CD1 3.51Å; F152-W401 AromaticContact CZ-NE1 3.27Å; F152-W401 VanDerWaalsContact CZ-NE1 3.27Å; F158-W401 AromaticContact CE1-CH2 3.67Å; F158-W401 HydrophobicContact CE1-CH2 3.67Å; F158-W401 AromaticContact CE1-CZ2 3.94Å; F158-W401 HydrophobicContact CE1-CZ2 3.94Å; F158-W401 AromaticContact CZ-CH2 3.84Å; F158-W401 HydrophobicContact CZ-CH2 3.84Å; F158-W401 AromaticContact CZ-CZ2 3.93Å; F158-W401 HydrophobicContact CZ-CZ2 3.93Å; V398-W401 HydrophobicContact CG1-CD2 4.25Å; V398-W401 HydrophobicContact CG1-CZ2 3.99Å; V398-W401 HydrophobicContact CG2-CZ2 4.46Å; W401-L404 HydrophobicContact CD2-CD1 4.24Å; W401-L404 HydrophobicContact CE3-CD1 3.65Å; W401-L404 HydrophobicContact CZ3-CD1 3.82Å; W401-L404 PolarHBondContact O-N 3.46Å; W401-L491 HydrophobicContact CH2-CB 4.34Å; W401-L491 HydrophobicContact CH2-CD2 3.46Å; W401-L491 VanDerWaalsContact CH2-CD2 3.46Å; W401-L491 HydrophobicContact CH2-CG 4.47Å; W401-L491 HydrophobicContact CZ2-CD2 4.2Å; W401-L491 HydrophobicContact CZ3-CB 4.27Å; W401-L491 HydrophobicContact CZ3-CD2 4.22Å; W401-Q495 HydrophobicContact CE3-CB 4.15Å; W401-Q495 HydrophobicContact CE3-CG 4.15Å; W401-Q495 HydrophobicContact CZ3-CB 4.34Å; W401-Q495 PolarHBondContact O-NE2 3.49Å; W401-I498 HydrophobicContact CD2-CB 4.27Å; W401-I498 HydrophobicContact CD2-CD1 3.88Å; W401-I498 HydrophobicContact CD2-CG2 4.07Å; W401-I498 HydrophobicContact CE3-CD1 3.84Å; W401-I498 HydrophobicContact CG-CG2 4.04Å; W401-I498 HydrophobicContact CH2-CD1 3.13Å; W401-I498 HydrophobicContact CZ2-CD1 3.18Å; W401-I498 HydrophobicContact CZ2-CG1 4.49Å; W401-I498 HydrophobicContact CZ3-CD1 3.49Å; W401-I498 VanDerWaalsContact CZ3-CD1 3.49Å
402	N	88.5	Confident	96.7	Very high	43 Å²	43	15.3 Å²	15.3	23%	0.23	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-148.2	92	173.2	-174.5	10.7	0	0	0	111.6	D400 K502 V576	D400-N402 PolarHBondContact OD1-N 3.05Å; D400-N402 VanDerWaalsContact OD1-N 3.08Å; N402-K502 PolarHBondContact O-NZ 3.19Å; N402-V576 PolarHBondContact ND2-O 3.38Å; N402-V576 PolarHBondContact OD1-N 3.48Å; N402-V576 PolarHBondContact OD1-O 2.98Å
403	P	91.8	Very high	96.7	Very high	12 Å²	12	15.5 Å²	15.5	8%	0.078	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	cis	-73.3	144	3.9	28.1	-32	0	0	0	112.5	D400 T405 R572 Q573 A575	D400-P403 CarbonylContact C-O 3.5Å; D400-P403 WeakPolarHBondContact CB-O 3.48Å; P403-T405 PolarHBondContact O-N 3.45Å; P403-T405 PolarHBondContact O-OG1 3.19Å; P403-R572 HydrophobicContact CB-CG 4.44Å; P403-R572 HydrophobicContact CG-CG 4.33Å; P403-Q573 HydrophobicContact CB-CB 4.29Å; P403-Q573 WeakPolarHBondContact CB-O 3.46Å; P403-A575 HydrophobicContact CG-CB 4.44Å
404	L	94.1	Very high	96.7	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	113.3	171	174.3	58.2	0	0	0	109.3	V398 D400 W401 V406 L491 K492 Y571 R572 Q573	V398-L404 HydrophobicContact CG1-CD1 4.25Å; D400-L404 WeakPolarHBondContact O-CA 3.26Å; W401-L404 HydrophobicContact CD2-CD1 4.24Å; W401-L404 HydrophobicContact CE3-CD1 3.65Å; W401-L404 HydrophobicContact CZ3-CD1 3.82Å; W401-L404 PolarHBondContact O-N 3.46Å; L404-V406 HydrophobicContact CD1-CG2 3.82Å; L404-V406 HydrophobicContact CG-CG2 3.92Å; L404-L491 HydrophobicContact CD1-CB 4.39Å; L404-L491 HydrophobicContact CD2-CB 3.99Å; L404-K492 HydrophobicContact CD2-CG 4.32Å; L404-Y571 HydrophobicContact CB-CD1 4.45Å; L404-Y571 HydrophobicContact CB-CE1 4.16Å; L404-Y571 HydrophobicContact CD2-CD1 4.13Å; L404-Y571 HydrophobicContact CD2-CE1 3.83Å; L404-Y571 HydrophobicContact CG-CD1 4Å; L404-Y571 HydrophobicContact CG-CE1 4Å; L404-R572 VanDerWaalsContact O-CA 3.28Å; L404-R572 WeakPolarHBondContact O-CA 3.46Å; L404-Q573 HydrophobicContact CB-CB 4.43Å; L404-Q573 PolarHBondContact O-N 3.48Å
405	T	96.8	Very high	96.7	Very high	11 Å²	11	15.5 Å²	15.5	7%	0.067	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	109.1	-172.4	-55.7	0	0	0	0	110.1	T399 D400 P403 L569 Y571 R572	T399-T405 PolarHBondContact N-O 2.92Å; T399-T405 VanDerWaalsContact N-O 3.1Å; T399-T405 WeakPolarHBondContact OG1-CG2 3.2Å; T399-T405 PolarHBondContact OG1-O 3.01Å; D400-T405 PolarHBondContact O-N 3.45Å; P403-T405 PolarHBondContact O-N 3.45Å; P403-T405 PolarHBondContact O-OG1 3.19Å; T405-L569 HydrophobicContact CG2-CD1 3.68Å; T405-Y571 WeakPolarHBondContact CA-O 3.37Å; T405-R572 HydrophobicContact CG2-CG 4.46Å
406	V	98.5	Very high	96.6	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	124.7	-168.9	-168.4	0	0	0	0	110.7	F396 L404 V487 L491 I570 Y571	F396-V406 HydrophobicContact CD2-CG1 4.22Å; L404-V406 HydrophobicContact CD1-CG2 3.82Å; L404-V406 HydrophobicContact CG-CG2 3.92Å; V406-V487 HydrophobicContact CG1-CG1 4.18Å; V406-L491 HydrophobicContact CB-CD1 4.27Å; V406-L491 HydrophobicContact CG1-CD1 3.67Å; V406-L491 HydrophobicContact CG2-CD1 3.52Å; V406-I570 HydrophobicContact CB-CG1 4.21Å; V406-I570 HydrophobicContact CG1-CD1 4.05Å; V406-I570 HydrophobicContact CG1-CG1 4.1Å; V406-I570 WeakPolarHBondContact O-CG1 3.47Å; V406-I570 PolarHBondContact O-N 2.61Å; V406-Y571 HydrophobicContact CG2-CD1 4.3Å; V406-Y571 PolarHBondContact N-O 3.22Å; V406-Y571 PolarHBondContact O-N 2.77Å
407	W	98.8	Very high	96.5	Very high	25 Å²	25	15.6 Å²	15.6	10%	0.095	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	130	175.3	-53.2	79.3	0	0	0	109.4	F396 L397 T399 V552 T564 F567 Q568 L569	F396-W407 CarbonylContact C-O 3.5Å; F396-W407 WeakPolarHBondContact CA-O 3.49Å; F396-W407 VanDerWaalsContact CB-O 3.31Å; F396-W407 WeakPolarHBondContact CB-O 3.17Å; L397-W407 HydrophobicContact CB-CB 4.19Å; L397-W407 PolarHBondContact N-O 2.63Å; L397-W407 PolarHBondContact O-N 3.45Å; T399-W407 PolarHBondContact OG1-NE1 3.45Å; W407-V552 HydrophobicContact CD2-CG1 3.83Å; W407-V552 HydrophobicContact CD2-CG2 4.46Å; W407-V552 HydrophobicContact CE3-CG1 4.36Å; W407-V552 HydrophobicContact CE3-CG2 4.34Å; W407-V552 HydrophobicContact CG-CG1 4.18Å; W407-V552 HydrophobicContact CH2-CG1 4.45Å; W407-V552 HydrophobicContact CZ2-CG1 3.92Å; W407-T564 HydrophobicContact CH2-CG2 4.4Å; W407-T564 HydrophobicContact CZ3-CG2 3.87Å; W407-F567 HydrophobicContact CB-CB 4.33Å; W407-F567 HydrophobicContact CB-CD1 3.71Å; W407-F567 HydrophobicContact CB-CE1 4.42Å; W407-F567 HydrophobicContact CB-CG 4.26Å; W407-F567 HydrophobicContact CE3-CB 4.34Å; W407-Q568 CarbonylContact C-O 3.55Å; W407-Q568 VanDerWaalsContact CA-O 3.31Å; W407-Q568 WeakPolarHBondContact CA-O 3.29Å; W407-L569 HydrophobicContact CD2-CB 4.31Å; W407-L569 HydrophobicContact CD2-CD1 4Å; W407-L569 HydrophobicContact CE3-CB 3.83Å; W407-L569 HydrophobicContact CE3-CD1 4.36Å; W407-L569 HydrophobicContact CG-CD1 4.44Å; W407-L569 HydrophobicContact CH2-CB 4.2Å; W407-L569 HydrophobicContact CH2-CD1 4.41Å; W407-L569 HydrophobicContact CZ2-CD1 4.06Å; W407-L569 HydrophobicContact CZ3-CB 3.77Å
408	F	98.8	Very high	96.2	Very high	2 Å²	2	15.6 Å²	15.6	1%	0.009	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	131.7	177.5	-168.1	-93.3	0	0	0	109.4	Q394 V480 M483 K484 Q568 I570	Q394-F408 VanDerWaalsContact CD-CE1 3.44Å; Q394-F408 HydrophobicContact CG-CD2 4.3Å; Q394-F408 HydrophobicContact CG-CE1 4.22Å; Q394-F408 HydrophobicContact CG-CE2 3.39Å; Q394-F408 HydrophobicContact CG-CZ 3.36Å; F408-V480 HydrophobicContact CE1-CG1 4.41Å; F408-M483 HydrophobicContact CE2-CB 4.19Å; F408-M483 HydrophobicContact CZ-CB 4.03Å; F408-M483 HydrophobicContact CZ-CE 4.24Å; F408-K484 HydrophobicContact CD1-CG 4.13Å; F408-K484 HydrophobicContact CD2-CG 3.75Å; F408-K484 HydrophobicContact CE1-CG 4.18Å; F408-K484 HydrophobicContact CE2-CG 3.79Å; F408-K484 HydrophobicContact CG-CG 3.9Å; F408-K484 HydrophobicContact CZ-CG 3.99Å; F408-Q568 PolarHBondContact N-O 3.23Å; F408-Q568 PolarHBondContact O-N 3.47Å; F408-I570 HydrophobicContact CB-CB 4.31Å; F408-I570 HydrophobicContact CB-CD1 3.79Å; F408-I570 HydrophobicContact CB-CG1 3.92Å; F408-I570 HydrophobicContact CB-CG2 3.45Å; F408-I570 VanDerWaalsContact CB-CG2 3.45Å; F408-I570 HydrophobicContact CD2-CD1 4.03Å; F408-I570 HydrophobicContact CG-CD1 4.31Å; F408-I570 HydrophobicContact CG-CG2 4.33Å
409	Y	98.8	Very high	96.1	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	123.5	176.8	-155.9	-114	0	0	0	109.4	Q394 W395 K411 A544 V545 D548 D566 F567	Q394-Y409 PolarHBondContact NE2-O 2.74Å; W395-Y409 AromaticContact CE3-CD1 3.85Å; W395-Y409 HydrophobicContact CE3-CD1 3.85Å; W395-Y409 HydrophobicContact CE3-CE1 4.34Å; W395-Y409 HydrophobicContact CZ3-CD1 4.43Å; W395-Y409 WeakPolarHBondContact O-CB 3.49Å; W395-Y409 PolarHBondContact O-N 2.74Å; Y409-K411 HydrophobicContact CD1-CB 3.98Å; Y409-K411 WeakPolarHBondContact CD1-O 3.37Å; Y409-K411 HydrophobicContact CE1-CB 3.84Å; Y409-K411 PolarHBondContact O-N 3.04Å; Y409-A544 VanDerWaalsContact OH-C 3.26Å; Y409-A544 WeakPolarHBondContact OH-CB 3.32Å; Y409-V545 HydrophobicContact CD1-CB 4.3Å; Y409-V545 HydrophobicContact CD1-CG2 4.07Å; Y409-V545 HydrophobicContact CD2-CB 4.45Å; Y409-V545 HydrophobicContact CD2-CG2 3.81Å; Y409-V545 HydrophobicContact CE1-CB 3.85Å; Y409-V545 HydrophobicContact CE1-CG2 4.09Å; Y409-V545 HydrophobicContact CE2-CB 3.99Å; Y409-V545 HydrophobicContact CE2-CG2 3.8Å; Y409-V545 HydrophobicContact CG-CG2 3.94Å; Y409-V545 WeakPolarHBondContact OH-CA 3.45Å; Y409-V545 PolarHBondContact OH-N 2.71Å; Y409-D548 HydrophobicContact CE2-CB 3.76Å; Y409-D548 VanDerWaalsContact CE2-OD2 3.3Å; Y409-D548 WeakPolarHBondContact CE2-OD2 3.36Å; Y409-D548 PolarHBondContact OH-OD2 3.45Å; Y409-D566 HydrophobicContact CD2-CB 4.08Å; Y409-D566 HydrophobicContact CE1-CB 4.13Å; Y409-D566 HydrophobicContact CE2-CB 3.63Å; Y409-F567 AromaticContact CD2-CD1 3.75Å; Y409-F567 HydrophobicContact CD2-CD1 3.75Å; Y409-F567 AromaticContact CD2-CD2 3.73Å; Y409-F567 HydrophobicContact CD2-CD2 3.73Å; Y409-F567 AromaticContact CD2-CE1 3.68Å; Y409-F567 HydrophobicContact CD2-CE1 3.68Å; Y409-F567 AromaticContact CD2-CE2 3.64Å; Y409-F567 HydrophobicContact CD2-CE2 3.64Å; Y409-F567 AromaticContact CD2-CG 3.77Å; Y409-F567 HydrophobicContact CD2-CG 3.77Å; Y409-F567 AromaticContact CD2-CZ 3.61Å; Y409-F567 HydrophobicContact CD2-CZ 3.61Å; Y409-F567 AromaticContact CE2-CD2 3.99Å; Y409-F567 HydrophobicContact CE2-CD2 3.99Å; Y409-F567 AromaticContact CE2-CE2 3.92Å; Y409-F567 HydrophobicContact CE2-CE2 3.92Å; Y409-F567 HydrophobicContact CE2-CG 4.4Å; Y409-F567 HydrophobicContact CE2-CZ 4.29Å; Y409-F567 HydrophobicContact CG-CD1 4.46Å; Y409-F567 HydrophobicContact CG-CE1 4.2Å; Y409-F567 HydrophobicContact CG-CZ 4.33Å
410	K	98.4	Very high	96	Very high	108 Å²	108	17.8 Å²	17.8	47%	0.47	9%	0.086	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	-23.4	-175.2	-70.4	168.5	-170.8	172.7	0	113.3	D566 Q568	K410-D566 HydrophobicContact CB-CB 4.28Å; K410-D566 WeakPolarHBondContact CB-O 3.39Å; K410-D566 WeakPolarHBondContact CG-O 3.2Å; K410-D566 PolarHBondContact N-O 3.14Å; K410-Q568 HydrophobicContact CG-CB 4.39Å
411	K	98.4	Very high	96.2	Very high	43 Å²	43	18.1 Å²	18.1	19%	0.187	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	146.3	179.1	-62.6	-65.6	-178.4	177.3	0	111.5	Y409 D459 D460 L541 D566	Y409-K411 HydrophobicContact CD1-CB 3.98Å; Y409-K411 WeakPolarHBondContact CD1-O 3.37Å; Y409-K411 HydrophobicContact CE1-CB 3.84Å; Y409-K411 PolarHBondContact O-N 3.04Å; K411-D459 VanDerWaalsContact CD-OD1 3.29Å; K411-D459 WeakPolarHBondContact CD-OD1 3.41Å; K411-D459 WeakPolarHBondContact CD-OD2 3.46Å; K411-D459 IonicContact NZ-OD1 3.25Å; K411-D459 IonicContact NZ-OD2 3.25Å; K411-D459 PolarHBondContact NZ-OD2 3.23Å; K411-D460 IonicContact NZ-OD1 3.65Å; K411-D460 PolarHBondContact NZ-OD1 3.42Å; K411-D460 IonicContact NZ-OD2 2.74Å; K411-D460 PolarHBondContact NZ-OD2 3.11Å; K411-L541 HydrophobicContact CB-CD2 4.01Å; K411-D566 HydrophobicContact CG-CB 4.44Å; K411-D566 WeakPolarHBondContact CG-OD2 3.5Å
412	C	98.5	Very high	96.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	174.5	175.1	64.6	0	0	0	0	109.5	V392 R393 D459	V392-C412 HydrophobicContact CG1-CB 4.05Å; R393-C412 VanDerWaalsContact O-CB 3.25Å; R393-C412 WeakPolarHBondContact O-CB 3.44Å; C412-D459 PolarHBondContact O-N 2.87Å
413	Y	98.3	Very high	96.6	Very high	5 Å²	5	18.9 Å²	18.9	2%	0.02	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	150.3	173.4	64.4	-87.7	0	0	0	111.6	R393 W395 R415 M456 W457 V537 T538 L541	R393-Y413 HydrophobicContact CB-CD1 4.13Å; R393-Y413 HydrophobicContact CB-CD2 4.2Å; R393-Y413 HydrophobicContact CB-CE1 3.73Å; R393-Y413 HydrophobicContact CB-CE2 3.82Å; R393-Y413 HydrophobicContact CB-CG 4.36Å; R393-Y413 HydrophobicContact CG-CD1 4.12Å; R393-Y413 HydrophobicContact CG-CE1 3.37Å; R393-Y413 HydrophobicContact CG-CE2 4.21Å; R393-Y413 VanDerWaalsContact CG-CZ 3.43Å; R393-Y413 PolarHBondContact N-O 2.69Å; R393-Y413 PolarHBondContact NH1-OH 2.96Å; R393-Y413 PolarHBondContact O-N 3.06Å; W395-Y413 AromaticContact CH2-CD1 3.77Å; W395-Y413 HydrophobicContact CH2-CD1 3.77Å; W395-Y413 AromaticContact CH2-CE1 3.53Å; W395-Y413 HydrophobicContact CH2-CE1 3.53Å; W395-Y413 HydrophobicContact CZ2-CD1 4.27Å; W395-Y413 AromaticContact CZ2-CE1 3.57Å; W395-Y413 HydrophobicContact CZ2-CE1 3.57Å; W395-Y413 HydrophobicContact CZ3-CD1 4.15Å; W395-Y413 HydrophobicContact CZ3-CE1 4.27Å; Y413-R415 HydrophobicContact CD2-CG 3.86Å; Y413-R415 HydrophobicContact CE2-CG 3.63Å; Y413-M456 HydrophobicContact CD2-SD 4.15Å; Y413-M456 HydrophobicContact CE2-CE 4.41Å; Y413-M456 HydrophobicContact CE2-SD 4.17Å; Y413-W457 CarbonylContact C-O 3.5Å; Y413-W457 WeakPolarHBondContact CA-O 3.38Å; Y413-W457 VanDerWaalsContact CB-O 3.26Å; Y413-W457 WeakPolarHBondContact CB-O 3.32Å; Y413-V537 HydrophobicContact CG-CG1 4.28Å; Y413-T538 HydrophobicContact CE1-CG2 4.24Å; Y413-T538 HydrophobicContact CE2-CG2 4.07Å; Y413-L541 HydrophobicContact CD1-CD1 4.06Å; Y413-L541 HydrophobicContact CG-CD1 4.46Å
414	L	98.3	Very high	96.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	144.6	176.4	-75.4	65.7	0	0	0	109.4	F390 D391 V392 F416 M456 W457 F462	F390-L414 HydrophobicContact CD2-CB 4.12Å; F390-L414 HydrophobicContact CD2-CD2 3.44Å; F390-L414 VanDerWaalsContact CD2-CD2 3.44Å; F390-L414 HydrophobicContact CD2-CG 3.67Å; F390-L414 HydrophobicContact CE2-CD2 3.45Å; F390-L414 VanDerWaalsContact CE2-CD2 3.45Å; F390-L414 HydrophobicContact CE2-CG 3.92Å; F390-L414 HydrophobicContact CG-CD2 4.16Å; F390-L414 HydrophobicContact CZ-CD2 4.2Å; D391-L414 CarbonylContact O-C 3.15Å; D391-L414 VanDerWaalsContact O-CA 3.25Å; D391-L414 WeakPolarHBondContact O-CA 3.37Å; V392-L414 HydrophobicContact CG2-CD1 4.26Å; V392-L414 HydrophobicContact CG2-CG 4.11Å; L414-F416 HydrophobicContact CB-CE2 4.17Å; L414-F416 HydrophobicContact CB-CZ 4.27Å; L414-F416 HydrophobicContact CD2-CZ 4.21Å; L414-M456 WeakPolarHBondContact O-CA 3.24Å; L414-M456 WeakPolarHBondContact O-CB 3.04Å; L414-W457 HydrophobicContact CB-CB 4.27Å; L414-W457 PolarHBondContact N-O 3.18Å; L414-W457 PolarHBondContact O-N 2.95Å; L414-W457 VanDerWaalsContact O-N 3.12Å; L414-F462 HydrophobicContact CD1-CB 4.04Å; L414-F462 HydrophobicContact CD1-CG 4.31Å; L414-F462 HydrophobicContact CD2-CB 3.78Å; L414-F462 HydrophobicContact CD2-CD1 4.23Å; L414-F462 HydrophobicContact CD2-CD2 3.4Å; L414-F462 HydrophobicContact CD2-CE2 4Å; L414-F462 HydrophobicContact CD2-CG 3.53Å
415	R	97.8	Very high	96.3	Very high	12 Å²	12	27.4 Å²	27.4	5%	0.045	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	124	173.6	-51.5	178.9	-63.2	-162.8	-0.7	109.4	F390 D391 Y413 C433 N455 D511	F390-R415 CarbonylContact C-O 3.48Å; F390-R415 WeakPolarHBondContact CA-O 3.38Å; F390-R415 VanDerWaalsContact CB-O 3.22Å; F390-R415 WeakPolarHBondContact CB-O 3.45Å; D391-R415 PolarHBondContact N-O 3.43Å; D391-R415 VanDerWaalsContact N-O 3.07Å; D391-R415 PolarHBondContact O-N 3.23Å; D391-R415 WeakPolarHBondContact OD1-CB 3.43Å; D391-R415 IonicContact OD1-CZ 3.87Å; D391-R415 VanDerWaalsContact OD1-CZ 3.25Å; D391-R415 IonicContact OD1-NE 2.7Å; D391-R415 PolarHBondContact OD1-NE 3.03Å; D391-R415 IonicContact OD1-NH2 3.05Å; D391-R415 PolarHBondContact OD1-NH2 3.04Å; D391-R415 IonicContact OD2-CZ 2.73Å; D391-R415 IonicContact OD2-NE 3.84Å; D391-R415 IonicContact OD2-NH2 2.71Å; D391-R415 PolarHBondContact OD2-NH2 3.24Å; Y413-R415 HydrophobicContact CD2-CG 3.86Å; Y413-R415 HydrophobicContact CE2-CG 3.63Å; R415-C433 HydrophobicContact CB-CB 4.48Å; R415-C433 WeakPolarHBondContact CB-O 3.45Å; R415-C433 WeakPolarHBondContact O-CB 3.3Å; R415-N455 WeakPolarHBondContact CA-O 3.41Å; R415-D511 IonicContact CZ-OD1 2.81Å; R415-D511 IonicContact CZ-OD2 3.45Å; R415-D511 IonicContact NH1-OD2 3.71Å; R415-D511 IonicContact NH2-OD1 3.29Å; R415-D511 PolarHBondContact NH2-OD1 3.4Å; R415-D511 IonicContact NH2-OD2 3.32Å; R415-D511 PolarHBondContact NH2-OD2 3.24Å
416	F	97.4	Very high	96.1	Very high	1 Å²	1	29.1 Å²	29.1	0%	0.004	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	151.5	-176.8	-67.4	-80.1	0	0	0	112.5	V385 T388 F390 L414 I451 N455 W457	V385-F416 HydrophobicContact CB-CE1 3.83Å; V385-F416 HydrophobicContact CB-CZ 4.46Å; V385-F416 HydrophobicContact CG1-CE1 4.1Å; V385-F416 HydrophobicContact CG1-CZ 4.36Å; V385-F416 HydrophobicContact CG2-CE1 4.21Å; T388-F416 HydrophobicContact CG2-CB 4.24Å; T388-F416 HydrophobicContact CG2-CD1 4.16Å; F390-F416 HydrophobicContact CB-CD1 3.62Å; F390-F416 HydrophobicContact CB-CE1 3.68Å; F390-F416 HydrophobicContact CB-CG 4.27Å; F390-F416 HydrophobicContact CB-CZ 4.42Å; F390-F416 HydrophobicContact CD1-CE1 4.11Å; F390-F416 HydrophobicContact CG-CD1 4.42Å; F390-F416 HydrophobicContact CG-CE1 4.01Å; L414-F416 HydrophobicContact CB-CE2 4.17Å; L414-F416 HydrophobicContact CB-CZ 4.27Å; L414-F416 HydrophobicContact CD2-CZ 4.21Å; F416-I451 HydrophobicContact CB-CG2 4.01Å; F416-I451 HydrophobicContact CD1-CD1 4.02Å; F416-I451 HydrophobicContact CD1-CG2 4.37Å; F416-I451 HydrophobicContact CD2-CG2 4.25Å; F416-I451 HydrophobicContact CE1-CD1 3.94Å; F416-I451 HydrophobicContact CG-CG2 3.94Å; F416-I451 HydrophobicContact CZ-CD1 4.33Å; F416-N455 HydrophobicContact CB-CB 4.31Å; F416-N455 PolarHBondContact N-O 2.93Å; F416-W457 HydrophobicContact CE2-CB 3.85Å; F416-W457 AromaticContact CE2-CD2 3.7Å; F416-W457 HydrophobicContact CE2-CD2 3.7Å; F416-W457 HydrophobicContact CE2-CE3 4.02Å; F416-W457 AromaticContact CE2-CG 3.64Å; F416-W457 HydrophobicContact CE2-CG 3.64Å; F416-W457 HydrophobicContact CZ-CB 4.41Å; F416-W457 AromaticContact CZ-CD2 3.69Å; F416-W457 HydrophobicContact CZ-CD2 3.69Å; F416-W457 AromaticContact CZ-CE3 3.52Å; F416-W457 HydrophobicContact CZ-CE3 3.52Å; F416-W457 HydrophobicContact CZ-CG 4.11Å; F416-W457 HydrophobicContact CZ-CZ3 4.05Å
417	S	96	Very high	95.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	154.5	160.3	170.4	0	0	0	0	111.5	T388 K389 Q419 S429 V430 R447	T388-S417 WeakPolarHBondContact CG2-O 3.38Å; K389-S417 PolarHBondContact O-N 2.94Å; S417-Q419 VanDerWaalsContact C-N 3.31Å; S417-Q419 PolarHBondContact OG-N 3.07Å; S417-Q419 PolarHBondContact OG-O 2.72Å; S417-S429 PolarHBondContact OG-O 3.11Å; S417-V430 PolarHBondContact OG-O 3.33Å; S417-R447 PolarHBondContact O-NH1 3.01Å; S417-R447 VanDerWaalsContact O-NH1 3.16Å
418	T	93.1	Very high	95	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	-13.8	172.4	52.5	0	0	0	0	113.1	Q438 L441 P443 S444 N455	T418-Q438 HydrophobicContact CG2-CB 4.15Å; T418-Q438 WeakPolarHBondContact CG2-O 3.44Å; T418-Q438 PolarHBondContact OG1-OE1 3.38Å; T418-L441 HydrophobicContact CG2-CB 4.07Å; T418-P443 WeakPolarHBondContact O-CA 3.44Å; T418-S444 PolarHBondContact O-N 3.08Å; T418-N455 WeakPolarHBondContact CG2-ND2 3.43Å
419	Q	94	Very high	94.4	Very high	45 Å²	45	36.5 Å²	36.5	21%	0.21	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	150.2	-175.7	-53.3	-58.5	-52	0	0	111	S417 V430 R442 S444	S417-Q419 VanDerWaalsContact C-N 3.31Å; S417-Q419 PolarHBondContact OG-N 3.07Å; S417-Q419 PolarHBondContact OG-O 2.72Å; Q419-V430 HydrophobicContact CB-CB 4.49Å; Q419-V430 HydrophobicContact CB-CG2 3.76Å; Q419-V430 HydrophobicContact CG-CG2 4.16Å; Q419-R442 PolarHBondContact NE2-O 3.49Å; Q419-R442 VanDerWaalsContact NE2-O 3.11Å; Q419-S444 VanDerWaalsContact OE1-CB 3.32Å
420	P	95.5	Very high	94	Very high	35 Å²	35	36.9 Å²	36.9	23%	0.227	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	144.7	164.7	-22.5	33.5	0	0	0	111	D387 S422 V430 Q446	D387-P420 CarbonylContact O-C 3.57Å; D387-P420 WeakPolarHBondContact O-CA 3.36Å; P420-S422 PolarHBondContact O-N 2.99Å; P420-V430 WeakPolarHBondContact O-CG1 3.42Å; P420-Q446 HydrophobicContact CG-CB 4.21Å
421	Y	96.4	Very high	93.8	Very high	34 Å²	34	31.9 Å²	31.9	13%	0.133	18%	0.176	C	C	.	.			trans	-72.2	124.4	178.7	-174.1	-104.5	0	0	0	110.3	Y378 I379 E380 P382 L384 D387 K389 L423 V430 H431	Y378-Y421 WeakPolarHBondContact CE1-OH 3.25Å; I379-Y421 PolarHBondContact O-OH 2.84Å; E380-Y421 WeakPolarHBondContact CA-OH 3.41Å; E380-Y421 PolarHBondContact O-OH 2.86Å; P382-Y421 WeakPolarHBondContact CD-OH 3.34Å; P382-Y421 HydrophobicContact CG-CE1 4.05Å; P382-Y421 HydrophobicContact CG-CE2 4.03Å; L384-Y421 HydrophobicContact CD1-CD1 3.92Å; L384-Y421 HydrophobicContact CD1-CG 4.28Å; L384-Y421 HydrophobicContact CD2-CD1 4.06Å; L384-Y421 HydrophobicContact CD2-CD2 4.45Å; L384-Y421 HydrophobicContact CD2-CG 3.83Å; D387-Y421 WeakPolarHBondContact O-CB 3.44Å; D387-Y421 PolarHBondContact O-N 2.64Å; K389-Y421 HydrophobicContact CB-CD2 3.8Å; K389-Y421 HydrophobicContact CB-CG 4.44Å; K389-Y421 HydrophobicContact CD-CD2 3.95Å; K389-Y421 HydrophobicContact CD-CE2 3.88Å; K389-Y421 HydrophobicContact CG-CD2 4.23Å; K389-Y421 HydrophobicContact CG-CE2 4.47Å; Y421-L423 HydrophobicContact CE1-CD2 4.12Å; Y421-L423 HydrophobicContact CE1-CG 4.22Å; Y421-L423 HydrophobicContact CE2-CD2 4.41Å; Y421-L423 VanDerWaalsContact OH-CD2 3.3Å; Y421-L423 WeakPolarHBondContact OH-CD2 3.49Å; Y421-V430 HydrophobicContact CD2-CG1 4.3Å; Y421-H431 AromaticContact CE2-ND1 3.71Å
422	S	94.4	Very high	93.5	Very high	37 Å²	37	30.5 Å²	30.5	26%	0.259	17%	0.171	S	C	.	.			trans	-144.6	148.6	168.2	168.6	0	0	0	0	108.2	P420 D424 H431	P420-S422 PolarHBondContact O-N 2.99Å; S422-D424 WeakPolarHBondContact OG-CB 3.33Å; S422-D424 PolarHBondContact OG-N 2.98Å; S422-D424 PolarHBondContact OG-OD2 2.75Å; S422-H431 PolarHBondContact O-CE1 2.92Å; S422-H431 PolarHBondContact O-NE2 3.4Å
423	L	94	Very high	93.2	Very high	27 Å²	27	30.8 Å²	30.8	14%	0.141	17%	0.173	C	C	.	.	S	Bend	trans	-93.3	0.7	171.8	-64	-178.9	0	0	0	112.4	Q332 I334 K352 Y378 E380 Y421 T425	Q332-L423 PolarHBondContact OE1-O 2.87Å; I334-L423 HydrophobicContact CD1-CB 4.45Å; I334-L423 HydrophobicContact CD1-CD1 4.29Å; I334-L423 HydrophobicContact CD1-CD2 3.65Å; I334-L423 HydrophobicContact CD1-CG 4.35Å; K352-L423 PolarHBondContact NZ-O 2.93Å; Y378-L423 HydrophobicContact CE1-CD2 4.15Å; E380-L423 HydrophobicContact CB-CD1 4.03Å; E380-L423 HydrophobicContact CG-CD1 4.29Å; Y421-L423 HydrophobicContact CE1-CD2 4.12Å; Y421-L423 HydrophobicContact CE1-CG 4.22Å; Y421-L423 HydrophobicContact CE2-CD2 4.41Å; Y421-L423 VanDerWaalsContact OH-CD2 3.3Å; Y421-L423 WeakPolarHBondContact OH-CD2 3.49Å; L423-T425 VanDerWaalsContact C-N 3.34Å; L423-T425 CarbonylContact C-O 3.59Å
424	D	90.2	Very high	92.7	Very high	147 Å²	147	31.5 Å²	31.5	79%	0.786	18%	0.177	S	C	*	.	S	Bend	trans	-68.4	-36	-179.5	-59.6	-37.8	0	0	0	111.8	S422	S422-D424 WeakPolarHBondContact OG-CB 3.33Å; S422-D424 PolarHBondContact OG-N 2.98Å; S422-D424 PolarHBondContact OG-OD2 2.75Å
425	T	90.4	Very high	92.1	Very high	44 Å²	44	32.9 Å²	32.9	27%	0.27	18%	0.184	S	C	.	.			trans	-103	162.1	167.4	-179.2	0	0	0	0	110	L423 D427 V430 H431	L423-T425 VanDerWaalsContact C-N 3.34Å; L423-T425 CarbonylContact C-O 3.59Å; T425-D427 HydrophobicContact CG2-CB 4.42Å; T425-D427 WeakPolarHBondContact OG1-CB 3.47Å; T425-D427 PolarHBondContact OG1-N 3.05Å; T425-D427 VanDerWaalsContact OG1-N 3.07Å; T425-D427 PolarHBondContact OG1-OD2 3.01Å; T425-V430 HydrophobicContact CG2-CG2 3.8Å; T425-H431 PolarHBondContact O-NE2 3.4Å
426	L	91.4	Very high	91.4	Very high	47 Å²	47	34.5 Å²	34.5	25%	0.246	20%	0.198	C	C	.	.			trans	-115.5	19.7	168.6	-70.8	-179	0	0	0	112.1	I334 C350 K352 H431	I334-L426 HydrophobicContact CD1-CD2 4.03Å; I334-L426 HydrophobicContact CG2-CD2 4.08Å; C350-L426 HydrophobicContact CB-CB 4.26Å; C350-L426 HydrophobicContact CB-CD1 4.27Å; C350-L426 HydrophobicContact CB-CD2 3.93Å; C350-L426 HydrophobicContact CB-CG 4.38Å; C350-L426 WeakPolarHBondContact O-CD1 3.41Å; K352-L426 HydrophobicContact CD-CD1 4.1Å; K352-L426 VanDerWaalsContact CE-CD2 3.42Å; K352-L426 HydrophobicContact CG-CD1 3.54Å; K352-L426 HydrophobicContact CG-CG 4.44Å; L426-H431 VanDerWaalsContact C-CD2 3.46Å
427	D	88.8	Confident	90.8	Very high	96 Å²	96	36.1 Å²	36.1	51%	0.513	21%	0.206	S	C	.	.			trans	-62.9	138.8	-177	-71.3	-37.8	0	0	0	112.6	T425 S429 V430 H431	T425-D427 HydrophobicContact CG2-CB 4.42Å; T425-D427 WeakPolarHBondContact OG1-CB 3.47Å; T425-D427 PolarHBondContact OG1-N 3.05Å; T425-D427 VanDerWaalsContact OG1-N 3.07Å; T425-D427 PolarHBondContact OG1-OD2 3.01Å; D427-S429 PolarHBondContact O-N 2.78Å; D427-S429 VanDerWaalsContact O-N 3.08Å; D427-V430 PolarHBondContact O-N 3.09Å; D427-H431 PolarHBondContact O-CD2 3.1Å; D427-H431 VanDerWaalsContact O-CD2 3.24Å; D427-H431 PolarHBondContact O-N 2.82Å
428	S	86.3	Confident	90.5	Very high	61 Å²	61	36.2 Å²	36.2	43%	0.427	21%	0.206	S	C	.	.	H	α-helix	trans	-57.2	-27.3	179.1	61.6	0	0	0	0	113.5	V430 L432	S428-V430 VanDerWaalsContact C-N 3.3Å; S428-V430 PolarHBondContact O-N 3.19Å; S428-L432 WeakPolarHBondContact O-CB 3.49Å; S428-L432 PolarHBondContact O-N 2.72Å
429	S	86.5	Confident	90.2	Very high	24 Å²	24	42 Å²	42	17%	0.168	23%	0.232	C	C	.	.	H	α-helix	trans	-60.8	-37.3	177.2	57.1	0	0	0	0	112.4	S417 D427 Q438	S417-S429 PolarHBondContact OG-O 3.11Å; D427-S429 PolarHBondContact O-N 2.78Å; D427-S429 VanDerWaalsContact O-N 3.08Å; S429-Q438 PolarHBondContact O-NE2 2.97Å; S429-Q438 PolarHBondContact O-OE1 3.18Å
430	V	90.4	Very high	89.8	Confident	9 Å²	9	45.2 Å²	45.2	6%	0.055	25%	0.246	C	C	.	.	H	α-helix	trans	-84.1	-41.8	179.7	-179.1	0	0	0	0	111.4	S417 Q419 P420 Y421 T425 D427 S428	S417-V430 PolarHBondContact OG-O 3.33Å; Q419-V430 HydrophobicContact CB-CB 4.49Å; Q419-V430 HydrophobicContact CB-CG2 3.76Å; Q419-V430 HydrophobicContact CG-CG2 4.16Å; P420-V430 WeakPolarHBondContact O-CG1 3.42Å; Y421-V430 HydrophobicContact CD2-CG1 4.3Å; T425-V430 HydrophobicContact CG2-CG2 3.8Å; D427-V430 PolarHBondContact O-N 3.09Å; S428-V430 VanDerWaalsContact C-N 3.3Å; S428-V430 PolarHBondContact O-N 3.19Å
431	H	92.8	Very high	89.5	Confident	3 Å²	3	46.5 Å²	46.5	1%	0.014	25%	0.251	C	S	.	.	H	α-helix	trans	-101.3	-15	-163.7	-61.1	-66.6	0	0	0	116	Y378 K389 Y421 S422 T425 L426 D427	Y378-H431 HydrophobicContact CE2-CB 4.23Å; Y378-H431 AromaticContact CZ-ND1 3.63Å; Y378-H431 WeakPolarHBondContact OH-CB 3.4Å; Y378-H431 PolarHBondContact OH-ND1 3.15Å; K389-H431 PolarHBondContact NZ-O 3.06Å; Y421-H431 AromaticContact CE2-ND1 3.71Å; S422-H431 PolarHBondContact O-CE1 2.92Å; S422-H431 PolarHBondContact O-NE2 3.4Å; T425-H431 PolarHBondContact O-NE2 3.4Å; L426-H431 VanDerWaalsContact C-CD2 3.46Å; D427-H431 PolarHBondContact O-CD2 3.1Å; D427-H431 VanDerWaalsContact O-CD2 3.24Å; D427-H431 PolarHBondContact O-N 2.82Å
432	L	92.1	Very high	89.1	Confident	14 Å²	14	55.7 Å²	55.7	7%	0.073	29%	0.285	C	S	.	.			trans	-110.6	124.9	178.6	-54.8	-174.1	0	0	0	110.7	I336 I348 S428 I437 Q438	I336-L432 HydrophobicContact CD1-CD2 4.19Å; I348-L432 HydrophobicContact CB-CD1 4.26Å; I348-L432 HydrophobicContact CG2-CD1 4.39Å; I348-L432 HydrophobicContact CG2-CD2 3.97Å; S428-L432 WeakPolarHBondContact O-CB 3.49Å; S428-L432 PolarHBondContact O-N 2.72Å; L432-I437 HydrophobicContact CB-CD1 4.26Å; L432-I437 HydrophobicContact CD1-CD1 3.63Å; L432-Q438 WeakPolarHBondContact O-CG 3.5Å; L432-Q438 PolarHBondContact O-NE2 3.05Å
433	C	92.3	Very high	88.8	Confident	5 Å²	5	56.6 Å²	56.6	3%	0.034	29%	0.29	C	S	.	.			trans	-97.1	3	-176.5	-54.5	0	0	0	0	113.4	D391 R415 N435	D391-C433 HydrophobicContact CB-CB 4.44Å; D391-C433 WeakPolarHBondContact OD2-CB 3.41Å; R415-C433 HydrophobicContact CB-CB 4.48Å; R415-C433 WeakPolarHBondContact CB-O 3.45Å; R415-C433 WeakPolarHBondContact O-CB 3.3Å; C433-N435 PolarHBondContact O-N 3.49Å
434	N	88.6	Confident	88.7	Confident	20 Å²	20	56.5 Å²	56.5	11%	0.107	29%	0.292	C	S	.	.			trans	-61.1	125.5	-178.5	-58.2	100.3	0	0	0	111.3	S436 I437 Q438	N434-S436 PolarHBondContact O-N 3.18Å; N434-S436 VanDerWaalsContact O-N 3.09Å; N434-I437 PolarHBondContact O-N 2.88Å; N434-Q438 PolarHBondContact O-N 3.22Å
435	N	85.8	Confident	88.6	Confident	30 Å²	30	59 Å²	59	16%	0.16	30%	0.298	C	S	.	.	H	α-helix	trans	-57.3	-29.2	178.5	-168.7	39.4	0	0	0	113.1	C433 I437 K439 M456 S534	C433-N435 PolarHBondContact O-N 3.49Å; N435-I437 PolarHBondContact O-N 2.88Å; N435-K439 VanDerWaalsContact O-CB 3.26Å; N435-K439 WeakPolarHBondContact O-CB 3.4Å; N435-K439 WeakPolarHBondContact O-CG 3.43Å; N435-K439 PolarHBondContact O-N 2.97Å; N435-M456 HydrophobicContact CB-CE 3.72Å; N435-M456 VanDerWaalsContact CG-CE 3.46Å; N435-S534 PolarHBondContact ND2-OG 2.93Å
436	S	82.9	Confident	88.6	Confident	46 Å²	46	64.9 Å²	64.9	32%	0.322	32%	0.323	S	S	.	.	H	α-helix	trans	-62.2	-20.9	176	55.2	0	0	0	0	114.3	R344 N434 H440	R344-S436 PolarHBondContact O-OG 3.46Å; N434-S436 PolarHBondContact O-N 3.18Å; N434-S436 VanDerWaalsContact O-N 3.09Å; S436-H440 PolarHBondContact O-CD2 3.28Å
437	I	84.2	Confident	88.6	Confident	35 Å²	35	63.9 Å²	63.9	18%	0.179	32%	0.316	C	S	.	.	H	α-helix	trans	-101.1	-51.9	175.4	-62.3	175.3	0	0	0	108.7	L432 N434 N435 K439 H440 L441	L432-I437 HydrophobicContact CB-CD1 4.26Å; L432-I437 HydrophobicContact CD1-CD1 3.63Å; N434-I437 PolarHBondContact O-N 2.88Å; N435-I437 PolarHBondContact O-N 2.88Å; I437-K439 VanDerWaalsContact C-N 3.3Å; I437-K439 PolarHBondContact O-N 3.47Å; I437-H440 PolarHBondContact O-N 3.1Å; I437-L441 HydrophobicContact CG2-CD1 4.11Å
438	Q	89.9	Confident	88.8	Confident	1 Å²	1	62.6 Å²	62.6	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-65.7	-28.4	-170.3	-64.5	-61.1	-37	0	0	113.6	T418 S429 L432 N434 H440 L441	T418-Q438 HydrophobicContact CG2-CB 4.15Å; T418-Q438 WeakPolarHBondContact CG2-O 3.44Å; T418-Q438 PolarHBondContact OG1-OE1 3.38Å; S429-Q438 PolarHBondContact O-NE2 2.97Å; S429-Q438 PolarHBondContact O-OE1 3.18Å; L432-Q438 WeakPolarHBondContact O-CG 3.5Å; L432-Q438 PolarHBondContact O-NE2 3.05Å; N434-Q438 PolarHBondContact O-N 3.22Å; Q438-H440 PolarHBondContact O-N 3.22Å; Q438-L441 PolarHBondContact O-N 3.37Å; Q438-L441 VanDerWaalsContact O-N 3.12Å
439	K	86.5	Confident	89.1	Confident	123 Å²	123	67.3 Å²	67.3	54%	0.535	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-21.4	178	75.3	-178.6	-171.8	164.7	0	114.1	N435 I437	N435-K439 VanDerWaalsContact O-CB 3.26Å; N435-K439 WeakPolarHBondContact O-CB 3.4Å; N435-K439 WeakPolarHBondContact O-CG 3.43Å; N435-K439 PolarHBondContact O-N 2.97Å; I437-K439 VanDerWaalsContact C-N 3.3Å; I437-K439 PolarHBondContact O-N 3.47Å
440	H	86.9	Confident	89.4	Confident	112 Å²	112	68.9 Å²	68.9	52%	0.519	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-1.6	179.6	-58.2	-78.7	0	0	0	112.7	D96 S436 I437 Q438	D96-H440 IonicContact OD2-CE1 2.84Å; D96-H440 IonicContact OD2-NE2 3.82Å; S436-H440 PolarHBondContact O-CD2 3.28Å; I437-H440 PolarHBondContact O-N 3.1Å; Q438-H440 PolarHBondContact O-N 3.22Å
441	L	88.5	Confident	89.6	Confident	62 Å²	62	68.7 Å²	68.7	33%	0.325	33%	0.33	S	S	.	.	S	Bend	trans	-107	141.7	-177.7	-60.7	177.2	0	0	0	110	T418 I437 Q438	T418-L441 HydrophobicContact CG2-CB 4.07Å; I437-L441 HydrophobicContact CG2-CD1 4.11Å; Q438-L441 PolarHBondContact O-N 3.37Å; Q438-L441 VanDerWaalsContact O-N 3.12Å
442	R	88.1	Confident	89.7	Confident	226 Å²	226	69.4 Å²	69.4	85%	0.853	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-79.2	132.2	174.6	-67.7	-171.2	-179.9	179.3	0.8	110	Q419	Q419-R442 PolarHBondContact NE2-O 3.49Å; Q419-R442 VanDerWaalsContact NE2-O 3.11Å
443	P	89.3	Confident	89.6	Confident	56 Å²	56	74 Å²	74	36%	0.364	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-55.2	139.8	170.3	-26.3	35.6	0	0	0	112	T418	T418-P443 WeakPolarHBondContact O-CA 3.44Å
444	S	90.2	Very high	89.6	Confident	26 Å²	26	76.9 Å²	76.9	18%	0.182	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-63.4	143.4	174	-172.2	0	0	0	0	111.5	T418 Q419 Q446 R447	T418-S444 PolarHBondContact O-N 3.08Å; Q419-S444 VanDerWaalsContact OE1-CB 3.32Å; S444-Q446 PolarHBondContact O-N 2.97Å; S444-Q446 PolarHBondContact OG-N 3.05Å; S444-Q446 VanDerWaalsContact OG-N 3.15Å; S444-R447 VanDerWaalsContact O-CB 3.24Å; S444-R447 WeakPolarHBondContact O-CB 3.48Å; S444-R447 PolarHBondContact O-N 3.39Å
445	H	89.1	Confident	89.9	Confident	198 Å²	198	76.4 Å²	76.4	92%	0.917	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-22.5	168.3	-59.6	100.7	0	0	0	112.6	R447	H445-R447 VanDerWaalsContact C-N 3.28Å
446	Q	89.3	Confident	90.5	Very high	169 Å²	169	75.1 Å²	75.1	79%	0.79	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-6.4	175.7	-64	175.1	-15.6	0	0	112.5	P420 S444	P420-Q446 HydrophobicContact CG-CB 4.21Å; S444-Q446 PolarHBondContact O-N 2.97Å; S444-Q446 PolarHBondContact OG-N 3.05Å; S444-Q446 VanDerWaalsContact OG-N 3.15Å
447	R	91.8	Very high	91.2	Very high	25 Å²	25	73.8 Å²	73.8	9%	0.094	36%	0.358	C	S	.	.	S	Bend	trans	-73.9	137.9	179.5	-165	178.6	79.3	169.6	3.9	110	S417 S444 H445 H449 I451 P452 N455	S417-R447 PolarHBondContact O-NH1 3.01Å; S417-R447 VanDerWaalsContact O-NH1 3.16Å; S444-R447 VanDerWaalsContact O-CB 3.24Å; S444-R447 WeakPolarHBondContact O-CB 3.48Å; S444-R447 PolarHBondContact O-N 3.39Å; H445-R447 VanDerWaalsContact C-N 3.28Å; R447-H449 PolarHBondContact O-N 2.93Å; R447-I451 HydrophobicContact CG-CB 4.44Å; R447-I451 HydrophobicContact CG-CG1 4.48Å; R447-I451 VanDerWaalsContact CZ-CG2 3.44Å; R447-I451 PolarHBondContact NH2-O 3.1Å; R447-I451 VanDerWaalsContact NH2-O 3.15Å; R447-P452 PolarHBondContact NH2-O 2.99Å; R447-N455 PolarHBondContact NH1-OD1 3.47Å; R447-N455 PolarHBondContact NH2-OD1 3.42Å
448	H	93.7	Very high	91.8	Very high	70 Å²	70	73.5 Å²	73.5	32%	0.324	36%	0.356	S	S	.	.			trans	-59.8	136.4	179.1	-163	-83.5	0	0	0	112.4	H386 C450 I451	H386-H448 HydrophobicContact CB-CB 3.42Å; H386-H448 VanDerWaalsContact CB-CB 3.42Å; H386-H448 AromaticContact CD2-ND1 3.94Å; H386-H448 AromaticContact CE1-CE1 3.87Å; H386-H448 AromaticContact CG-CG 3.74Å; H386-H448 AromaticContact CG-ND1 3.65Å; H386-H448 AromaticContact ND1-CE1 3.72Å; H386-H448 AromaticContact ND1-CG 3.91Å; H386-H448 AromaticContact ND1-ND1 3.69Å; H386-H448 AromaticContact ND1-NE2 3.93Å; H448-C450 VanDerWaalsContact C-N 3.28Å; H448-C450 PolarHBondContact CE1-SG 3.24Å; H448-C450 WeakPolarHBondContact ND1-CB 3.2Å; H448-C450 PolarHBondContact ND1-N 3.15Å; H448-C450 PolarHBondContact O-N 2.93Å; H448-I451 PolarHBondContact O-N 3.27Å; H448-I451 VanDerWaalsContact O-N 3.08Å
449	H	92.3	Very high	92.2	Very high	160 Å²	160	73.6 Å²	73.6	74%	0.741	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-26.1	-174	63.3	-87.3	0	0	0	113.9	R447 I451	R447-H449 PolarHBondContact O-N 2.93Å; H449-I451 PolarHBondContact O-N 3.4Å
450	C	93.3	Very high	92.7	Very high	56 Å²	56	71.3 Å²	71.3	38%	0.378	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-15.5	174.2	-63.2	0	0	0	0	114	H386 H448 P452	H386-C450 WeakPolarHBondContact NE2-CB 3.42Å; H448-C450 VanDerWaalsContact C-N 3.28Å; H448-C450 PolarHBondContact CE1-SG 3.24Å; H448-C450 WeakPolarHBondContact ND1-CB 3.2Å; H448-C450 PolarHBondContact ND1-N 3.15Å; H448-C450 PolarHBondContact O-N 2.93Å; C450-P452 WeakPolarHBondContact O-CD 3.44Å
451	I	95	Very high	93.3	Very high	5 Å²	5	69.8 Å²	69.8	3%	0.026	34%	0.344	C	S	.	.	S	Bend	trans	-80	117.9	172.5	-55.6	-61	0	0	0	108.6	V385 H386 F416 R447 H448 H449	V385-I451 HydrophobicContact CB-CD1 4.46Å; V385-I451 HydrophobicContact CG1-CD1 3.78Å; H386-I451 HydrophobicContact CB-CD1 4.32Å; H386-I451 HydrophobicContact CB-CG1 4.37Å; F416-I451 HydrophobicContact CB-CG2 4.01Å; F416-I451 HydrophobicContact CD1-CD1 4.02Å; F416-I451 HydrophobicContact CD1-CG2 4.37Å; F416-I451 HydrophobicContact CD2-CG2 4.25Å; F416-I451 HydrophobicContact CE1-CD1 3.94Å; F416-I451 HydrophobicContact CG-CG2 3.94Å; F416-I451 HydrophobicContact CZ-CD1 4.33Å; R447-I451 HydrophobicContact CG-CB 4.44Å; R447-I451 HydrophobicContact CG-CG1 4.48Å; R447-I451 VanDerWaalsContact CZ-CG2 3.44Å; R447-I451 PolarHBondContact NH2-O 3.1Å; R447-I451 VanDerWaalsContact NH2-O 3.15Å; H448-I451 PolarHBondContact O-N 3.27Å; H448-I451 VanDerWaalsContact O-N 3.08Å; H449-I451 PolarHBondContact O-N 3.4Å
452	P	93.5	Very high	93.8	Very high	18 Å²	18	66.9 Å²	66.9	12%	0.117	33%	0.328	C	S	.	.			trans	-65.7	150.4	-171	24.8	-33.2	0	0	0	111.8	R447 C450 H454 N455 M456 W457	R447-P452 PolarHBondContact NH2-O 2.99Å; C450-P452 WeakPolarHBondContact O-CD 3.44Å; P452-H454 PolarHBondContact O-N 3.04Å; P452-H454 VanDerWaalsContact O-N 3.15Å; P452-N455 PolarHBondContact O-N 3.35Å; P452-N455 PolarHBondContact O-OD1 3.46Å; P452-M456 WeakPolarHBondContact CG-O 3.33Å; P452-W457 VanDerWaalsContact CD-NE1 3.32Å
453	P	90.6	Very high	94.2	Very high	112 Å²	112	57.8 Å²	57.8	73%	0.727	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-30.4	-179.9	-26.2	34.6	0	0	0	114	N455	P453-N455 VanDerWaalsContact C-N 3.25Å; P453-N455 PolarHBondContact O-N 3.09Å; P453-N455 PolarHBondContact O-OD1 3.47Å
454	H	91.8	Very high	94.7	Very high	65 Å²	65	58 Å²	58	30%	0.301	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	7	177.8	63	71.2	0	0	0	113.9	P452 M456 T535	P452-H454 PolarHBondContact O-N 3.04Å; P452-H454 VanDerWaalsContact O-N 3.15Å; H454-M456 VanDerWaalsContact C-N 3.28Å; H454-M456 PolarHBondContact CE1-O 3.2Å; H454-M456 PolarHBondContact ND1-N 3.42Å; H454-M456 PolarHBondContact ND1-O 2.82Å; H454-M456 PolarHBondContact O-N 3.04Å; H454-M456 VanDerWaalsContact O-N 3.15Å; H454-T535 HydrophobicContact CB-CG2 3.92Å
455	N	95.6	Very high	95	Very high	10 Å²	10	57.7 Å²	57.7	5%	0.053	30%	0.297	C	S	.	.			trans	57.9	30.3	169.8	-52	-30.2	0	0	0	115.2	R415 F416 T418 R447 P452 P453	R415-N455 WeakPolarHBondContact CA-O 3.41Å; F416-N455 HydrophobicContact CB-CB 4.31Å; F416-N455 PolarHBondContact N-O 2.93Å; T418-N455 WeakPolarHBondContact CG2-ND2 3.43Å; R447-N455 PolarHBondContact NH1-OD1 3.47Å; R447-N455 PolarHBondContact NH2-OD1 3.42Å; P452-N455 PolarHBondContact O-N 3.35Å; P452-N455 PolarHBondContact O-OD1 3.46Å; P453-N455 VanDerWaalsContact C-N 3.25Å; P453-N455 PolarHBondContact O-N 3.09Å; P453-N455 PolarHBondContact O-OD1 3.47Å
456	M	97.3	Very high	95.5	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.01	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	147.7	179	-64.6	-176.8	-175.1	0	0	112.6	Y413 L414 N435 P452 H454 T535 V537 T538	Y413-M456 HydrophobicContact CD2-SD 4.15Å; Y413-M456 HydrophobicContact CE2-CE 4.41Å; Y413-M456 HydrophobicContact CE2-SD 4.17Å; L414-M456 WeakPolarHBondContact O-CA 3.24Å; L414-M456 WeakPolarHBondContact O-CB 3.04Å; N435-M456 HydrophobicContact CB-CE 3.72Å; N435-M456 VanDerWaalsContact CG-CE 3.46Å; P452-M456 WeakPolarHBondContact CG-O 3.33Å; H454-M456 VanDerWaalsContact C-N 3.28Å; H454-M456 PolarHBondContact CE1-O 3.2Å; H454-M456 PolarHBondContact ND1-N 3.42Å; H454-M456 PolarHBondContact ND1-O 2.82Å; H454-M456 PolarHBondContact O-N 3.04Å; H454-M456 VanDerWaalsContact O-N 3.15Å; M456-T535 HydrophobicContact CE-CG2 3.99Å; M456-T535 HydrophobicContact CG-CG2 4.41Å; M456-T535 HydrophobicContact SD-CG2 3.69Å; M456-T535 PolarHBondContact SD-OG1 2.99Å; M456-V537 HydrophobicContact CB-CB 4.22Å; M456-V537 HydrophobicContact CB-CG1 4.36Å; M456-V537 HydrophobicContact CB-CG2 4.14Å; M456-T538 HydrophobicContact CE-CG2 4.26Å; M456-T538 HydrophobicContact SD-CG2 3.72Å
457	W	97.9	Very high	95.9	Very high	19 Å²	19	42.2 Å²	42.2	7%	0.072	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	149.3	168.2	-85.6	-11.5	0	0	0	111.3	V385 Y413 L414 F416 P452 Q461 F462 F465	V385-W457 HydrophobicContact CB-CZ3 4.41Å; V385-W457 HydrophobicContact CG1-CE3 4.38Å; V385-W457 HydrophobicContact CG1-CH2 3.32Å; V385-W457 HydrophobicContact CG1-CZ2 4.36Å; V385-W457 HydrophobicContact CG1-CZ3 3.34Å; V385-W457 HydrophobicContact CG2-CZ3 4.27Å; Y413-W457 CarbonylContact C-O 3.5Å; Y413-W457 WeakPolarHBondContact CA-O 3.38Å; Y413-W457 VanDerWaalsContact CB-O 3.26Å; Y413-W457 WeakPolarHBondContact CB-O 3.32Å; L414-W457 HydrophobicContact CB-CB 4.27Å; L414-W457 PolarHBondContact N-O 3.18Å; L414-W457 PolarHBondContact O-N 2.95Å; L414-W457 VanDerWaalsContact O-N 3.12Å; F416-W457 HydrophobicContact CE2-CB 3.85Å; F416-W457 AromaticContact CE2-CD2 3.7Å; F416-W457 HydrophobicContact CE2-CD2 3.7Å; F416-W457 HydrophobicContact CE2-CE3 4.02Å; F416-W457 AromaticContact CE2-CG 3.64Å; F416-W457 HydrophobicContact CE2-CG 3.64Å; F416-W457 HydrophobicContact CZ-CB 4.41Å; F416-W457 AromaticContact CZ-CD2 3.69Å; F416-W457 HydrophobicContact CZ-CD2 3.69Å; F416-W457 AromaticContact CZ-CE3 3.52Å; F416-W457 HydrophobicContact CZ-CE3 3.52Å; F416-W457 HydrophobicContact CZ-CG 4.11Å; F416-W457 HydrophobicContact CZ-CZ3 4.05Å; P452-W457 VanDerWaalsContact CD-NE1 3.32Å; W457-Q461 VanDerWaalsContact CA-OE1 3.32Å; W457-Q461 HydrophobicContact CB-CB 4.08Å; W457-Q461 HydrophobicContact CD2-CB 4.05Å; W457-Q461 HydrophobicContact CE3-CB 4.48Å; W457-Q461 HydrophobicContact CG-CB 3.86Å; W457-F462 HydrophobicContact CE3-CB 4.39Å; W457-F462 HydrophobicContact CE3-CD2 4.43Å; W457-F462 HydrophobicContact CZ3-CD2 4.42Å; W457-F465 HydrophobicContact CH2-CB 4.24Å; W457-F465 HydrophobicContact CH2-CD2 4.19Å; W457-F465 HydrophobicContact CH2-CG 4.33Å; W457-F465 HydrophobicContact CZ3-CB 3.94Å; W457-F465 HydrophobicContact CZ3-CD2 4.44Å; W457-F465 HydrophobicContact CZ3-CG 4.14Å
458	L	98.3	Very high	96.1	Very high	29 Å²	29	45.6 Å²	45.6	15%	0.152	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	155.1	158.6	-65.9	168.4	0	0	0	110	D460 Q461 F462 V537 L541	L458-D460 PolarHBondContact O-N 3.16Å; L458-Q461 HydrophobicContact CB-CG 4.36Å; L458-Q461 WeakPolarHBondContact O-CB 3.18Å; L458-Q461 PolarHBondContact O-N 2.81Å; L458-Q461 VanDerWaalsContact O-N 3.11Å; L458-F462 PolarHBondContact O-N 2.87Å; L458-V537 HydrophobicContact CD2-CG1 3.84Å; L458-V537 HydrophobicContact CG-CG1 4.27Å; L458-V537 HydrophobicContact CG-CG2 4.41Å; L458-L541 HydrophobicContact CD2-CD1 3.62Å; L458-L541 HydrophobicContact CD2-CD2 3.96Å; L458-L541 HydrophobicContact CD2-CG 3.68Å
459	D	97.8	Very high	96.3	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.016	26%	0.263	C	S	.	.	H	α-helix	trans	-53.3	-38.8	171.6	66	-50.6	0	0	0	112.5	K411 C412 Q461 F462 K463 W475	K411-D459 VanDerWaalsContact CD-OD1 3.29Å; K411-D459 WeakPolarHBondContact CD-OD1 3.41Å; K411-D459 WeakPolarHBondContact CD-OD2 3.46Å; K411-D459 IonicContact NZ-OD1 3.25Å; K411-D459 IonicContact NZ-OD2 3.25Å; K411-D459 PolarHBondContact NZ-OD2 3.23Å; C412-D459 PolarHBondContact O-N 2.87Å; D459-Q461 VanDerWaalsContact C-N 3.3Å; D459-Q461 PolarHBondContact O-N 3.29Å; D459-F462 PolarHBondContact O-N 2.78Å; D459-F462 VanDerWaalsContact O-N 3.15Å; D459-K463 PolarHBondContact O-N 3.06Å; D459-K463 IonicContact OD2-NZ 2.69Å; D459-K463 PolarHBondContact OD2-NZ 2.87Å; D459-W475 HydrophobicContact CB-CZ2 3.96Å
460	D	97.6	Very high	96.5	Very high	75 Å²	75	42.2 Å²	42.2	40%	0.401	26%	0.264	S	S	.	.	H	α-helix	trans	-62.2	-35.7	178.5	-64.9	-37.2	0	0	0	112.7	K411 L458 K463 A464	K411-D460 IonicContact NZ-OD1 3.65Å; K411-D460 PolarHBondContact NZ-OD1 3.42Å; K411-D460 IonicContact NZ-OD2 2.74Å; K411-D460 PolarHBondContact NZ-OD2 3.11Å; L458-D460 PolarHBondContact O-N 3.16Å; D460-K463 PolarHBondContact O-N 3.28Å; D460-K463 WeakPolarHBondContact OD1-CE 3.36Å; D460-K463 IonicContact OD1-NZ 3.53Å; D460-K463 PolarHBondContact OD1-NZ 3.29Å; D460-A464 PolarHBondContact O-N 3.16Å
461	Q	98.3	Very high	96.7	Very high	80 Å²	80	43.4 Å²	43.4	37%	0.374	26%	0.263	S	S	.	.	H	α-helix	trans	-69.6	-37.1	176	-62.9	175.3	-72.8	0	0	111.2	W457 L458 D459 A464 F465	W457-Q461 VanDerWaalsContact CA-OE1 3.32Å; W457-Q461 HydrophobicContact CB-CB 4.08Å; W457-Q461 HydrophobicContact CD2-CB 4.05Å; W457-Q461 HydrophobicContact CE3-CB 4.48Å; W457-Q461 HydrophobicContact CG-CB 3.86Å; L458-Q461 HydrophobicContact CB-CG 4.36Å; L458-Q461 WeakPolarHBondContact O-CB 3.18Å; L458-Q461 PolarHBondContact O-N 2.81Å; L458-Q461 VanDerWaalsContact O-N 3.11Å; D459-Q461 VanDerWaalsContact C-N 3.3Å; D459-Q461 PolarHBondContact O-N 3.29Å; Q461-A464 PolarHBondContact O-N 3.09Å; Q461-F465 PolarHBondContact O-N 3.18Å
462	F	98.3	Very high	96.8	Very high	0 Å²	0	48 Å²	48	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-69.2	-40.2	175	-174.3	-116.1	0	0	0	112.2	F383 V385 F390 L414 W457 L458 D459 A464 F465 L466 W475 L514 L518	F383-F462 HydrophobicContact CD1-CE2 4.24Å; F383-F462 HydrophobicContact CD1-CZ 4.15Å; F383-F462 AromaticContact CE1-CE2 3.9Å; F383-F462 HydrophobicContact CE1-CE2 3.9Å; F383-F462 AromaticContact CE1-CZ 3.97Å; F383-F462 HydrophobicContact CE1-CZ 3.97Å; V385-F462 HydrophobicContact CG2-CD2 4.1Å; V385-F462 HydrophobicContact CG2-CE2 3.73Å; F390-F462 HydrophobicContact CE1-CE2 4.41Å; F390-F462 HydrophobicContact CE2-CE2 4.32Å; F390-F462 HydrophobicContact CE2-CZ 4.37Å; F390-F462 AromaticContact CZ-CE2 3.79Å; F390-F462 HydrophobicContact CZ-CE2 3.79Å; F390-F462 AromaticContact CZ-CZ 3.88Å; F390-F462 HydrophobicContact CZ-CZ 3.88Å; L414-F462 HydrophobicContact CD1-CB 4.04Å; L414-F462 HydrophobicContact CD1-CG 4.31Å; L414-F462 HydrophobicContact CD2-CB 3.78Å; L414-F462 HydrophobicContact CD2-CD1 4.23Å; L414-F462 HydrophobicContact CD2-CD2 3.4Å; L414-F462 HydrophobicContact CD2-CE2 4Å; L414-F462 HydrophobicContact CD2-CG 3.53Å; W457-F462 HydrophobicContact CE3-CB 4.39Å; W457-F462 HydrophobicContact CE3-CD2 4.43Å; W457-F462 HydrophobicContact CZ3-CD2 4.42Å; L458-F462 PolarHBondContact O-N 2.87Å; D459-F462 PolarHBondContact O-N 2.78Å; D459-F462 VanDerWaalsContact O-N 3.15Å; F462-A464 VanDerWaalsContact C-N 3.34Å; F462-A464 PolarHBondContact O-N 3.07Å; F462-F465 HydrophobicContact CD2-CD1 4.37Å; F462-F465 HydrophobicContact CE2-CD1 4.25Å; F462-F465 WeakPolarHBondContact O-CB 3.39Å; F462-F465 PolarHBondContact O-N 3.23Å; F462-L466 HydrophobicContact CD1-CD1 4.02Å; F462-L466 HydrophobicContact CD1-CG 4.37Å; F462-L466 HydrophobicContact CE1-CD1 3.59Å; F462-L466 HydrophobicContact CE1-CD2 4.4Å; F462-L466 HydrophobicContact CE1-CG 4.03Å; F462-L466 HydrophobicContact CE2-CD2 4.39Å; F462-L466 HydrophobicContact CE2-CG 4.44Å; F462-L466 HydrophobicContact CZ-CD1 4.04Å; F462-L466 HydrophobicContact CZ-CD2 4Å; F462-L466 HydrophobicContact CZ-CG 4.06Å; F462-L466 WeakPolarHBondContact O-CG 3.46Å; F462-L466 PolarHBondContact O-N 3.3Å; F462-W475 AromaticContact CD1-CE3 3.54Å; F462-W475 HydrophobicContact CD1-CE3 3.54Å; F462-W475 HydrophobicContact CD1-CH2 4.23Å; F462-W475 AromaticContact CD1-CZ3 3.37Å; F462-W475 HydrophobicContact CD1-CZ3 3.37Å; F462-W475 AromaticContact CE1-CE3 3.62Å; F462-W475 HydrophobicContact CE1-CE3 3.62Å; F462-W475 AromaticContact CE1-CZ3 3.54Å; F462-W475 HydrophobicContact CE1-CZ3 3.54Å; F462-L514 HydrophobicContact CE1-CD1 3.86Å; F462-L514 HydrophobicContact CZ-CD1 3.83Å; F462-L518 HydrophobicContact CZ-CD2 4.27Å
463	K	98.1	Very high	97	Very high	36 Å²	36	50.8 Å²	50.8	16%	0.157	31%	0.309	C	S	.	.	H	α-helix	trans	-59.9	-43.9	173.1	-74.7	-178.9	-65.4	-168.6	0	111.8	D459 D460 F465 L466 A467 W475	D459-K463 PolarHBondContact O-N 3.06Å; D459-K463 IonicContact OD2-NZ 2.69Å; D459-K463 PolarHBondContact OD2-NZ 2.87Å; D460-K463 PolarHBondContact O-N 3.28Å; D460-K463 WeakPolarHBondContact OD1-CE 3.36Å; D460-K463 IonicContact OD1-NZ 3.53Å; D460-K463 PolarHBondContact OD1-NZ 3.29Å; K463-F465 VanDerWaalsContact C-N 3.32Å; K463-F465 PolarHBondContact O-N 2.79Å; K463-L466 PolarHBondContact O-N 3.48Å; K463-A467 WeakPolarHBondContact O-CB 3.01Å; K463-A467 PolarHBondContact O-N 2.92Å; K463-W475 VanDerWaalsContact CD-CD1 3.49Å; K463-W475 HydrophobicContact CD-CG 4.04Å; K463-W475 HydrophobicContact CG-CB 4.18Å; K463-W475 HydrophobicContact CG-CD2 4.11Å; K463-W475 HydrophobicContact CG-CG 3.69Å
464	A	98.3	Very high	97.4	Very high	61 Å²	61	48.4 Å²	48.4	50%	0.504	29%	0.29	S	S	.	.	H	α-helix	trans	-61.4	-39.9	174.6	0	0	0	0	0	112.2	D460 Q461 F462 A467 S468	D460-A464 PolarHBondContact O-N 3.16Å; Q461-A464 PolarHBondContact O-N 3.09Å; F462-A464 VanDerWaalsContact C-N 3.34Å; F462-A464 PolarHBondContact O-N 3.07Å; A464-A467 WeakPolarHBondContact O-CB 3.48Å; A464-A467 PolarHBondContact O-N 3.38Å; A464-S468 PolarHBondContact O-N 2.64Å
465	F	98.1	Very high	97.7	Very high	19 Å²	19	45.4 Å²	45.4	8%	0.083	28%	0.276	C	S	.	.	H	α-helix	trans	-61	-46.3	172.6	174.8	-95.2	0	0	0	111.7	F383 V385 H386 W457 Q461 F462 K463 A467 S468 Q469	F383-F465 AromaticContact CE1-CE1 3.85Å; F383-F465 HydrophobicContact CE1-CE1 3.85Å; F383-F465 HydrophobicContact CZ-CE1 4.05Å; V385-F465 HydrophobicContact CB-CE1 4.39Å; V385-F465 HydrophobicContact CB-CZ 4.29Å; V385-F465 HydrophobicContact CG1-CD2 4.17Å; V385-F465 HydrophobicContact CG1-CE1 4.32Å; V385-F465 HydrophobicContact CG1-CE2 3.96Å; V385-F465 HydrophobicContact CG1-CG 4.44Å; V385-F465 HydrophobicContact CG1-CZ 4.02Å; V385-F465 HydrophobicContact CG2-CD1 4.14Å; V385-F465 HydrophobicContact CG2-CE1 3.87Å; V385-F465 HydrophobicContact CG2-CZ 4.27Å; H386-F465 AromaticContact CE1-CE2 3.75Å; H386-F465 AromaticContact NE2-CD2 3.93Å; H386-F465 AromaticContact NE2-CE2 3.75Å; W457-F465 HydrophobicContact CH2-CB 4.24Å; W457-F465 HydrophobicContact CH2-CD2 4.19Å; W457-F465 HydrophobicContact CH2-CG 4.33Å; W457-F465 HydrophobicContact CZ3-CB 3.94Å; W457-F465 HydrophobicContact CZ3-CD2 4.44Å; W457-F465 HydrophobicContact CZ3-CG 4.14Å; Q461-F465 PolarHBondContact O-N 3.18Å; F462-F465 HydrophobicContact CD2-CD1 4.37Å; F462-F465 HydrophobicContact CE2-CD1 4.25Å; F462-F465 WeakPolarHBondContact O-CB 3.39Å; F462-F465 PolarHBondContact O-N 3.23Å; K463-F465 VanDerWaalsContact C-N 3.32Å; K463-F465 PolarHBondContact O-N 2.79Å; F465-A467 VanDerWaalsContact C-N 3.33Å; F465-A467 PolarHBondContact O-N 3.39Å; F465-S468 PolarHBondContact O-N 2.69Å; F465-S468 PolarHBondContact O-OG 2.86Å; F465-Q469 PolarHBondContact O-N 3.38Å
466	L	98.1	Very high	97.8	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-64.1	-36.9	175.7	-67.5	-179	0	0	0	112.4	F383 F462 K463 S468 Q469 G470 K471 E472 W475 L518	F383-L466 HydrophobicContact CE1-CD2 4.14Å; F383-L466 HydrophobicContact CZ-CD2 3.87Å; F462-L466 HydrophobicContact CD1-CD1 4.02Å; F462-L466 HydrophobicContact CD1-CG 4.37Å; F462-L466 HydrophobicContact CE1-CD1 3.59Å; F462-L466 HydrophobicContact CE1-CD2 4.4Å; F462-L466 HydrophobicContact CE1-CG 4.03Å; F462-L466 HydrophobicContact CE2-CD2 4.39Å; F462-L466 HydrophobicContact CE2-CG 4.44Å; F462-L466 HydrophobicContact CZ-CD1 4.04Å; F462-L466 HydrophobicContact CZ-CD2 4Å; F462-L466 HydrophobicContact CZ-CG 4.06Å; F462-L466 WeakPolarHBondContact O-CG 3.46Å; F462-L466 PolarHBondContact O-N 3.3Å; K463-L466 PolarHBondContact O-N 3.48Å; L466-S468 VanDerWaalsContact C-N 3.31Å; L466-S468 PolarHBondContact O-N 3.04Å; L466-Q469 CarbonylContact O-C 3.48Å; L466-Q469 WeakPolarHBondContact O-CA 3.3Å; L466-Q469 PolarHBondContact O-N 3.27Å; L466-G470 PolarHBondContact O-N 2.67Å; L466-K471 HydrophobicContact CB-CB 4.34Å; L466-K471 HydrophobicContact CD2-CB 4.31Å; L466-K471 PolarHBondContact O-N 3.33Å; L466-E472 PolarHBondContact O-N 2.95Å; L466-W475 HydrophobicContact CD1-CB 4.14Å; L466-W475 HydrophobicContact CD1-CE3 4.44Å; L466-L518 HydrophobicContact CD1-CD1 4.25Å; L466-L518 HydrophobicContact CD2-CD1 3.93Å; L466-L518 HydrophobicContact CD2-CD2 4.16Å
467	A	98.1	Very high	97.8	Very high	41 Å²	41	53.2 Å²	53.2	34%	0.339	32%	0.32	S	S	.	.	H	α-helix	trans	-60.4	-41.6	175.5	0	0	0	0	0	111.4	K463 A464 F465 Q469 G470 E472	K463-A467 WeakPolarHBondContact O-CB 3.01Å; K463-A467 PolarHBondContact O-N 2.92Å; A464-A467 WeakPolarHBondContact O-CB 3.48Å; A464-A467 PolarHBondContact O-N 3.38Å; F465-A467 VanDerWaalsContact C-N 3.33Å; F465-A467 PolarHBondContact O-N 3.39Å; A467-Q469 PolarHBondContact O-N 2.8Å; A467-Q469 VanDerWaalsContact O-N 3.08Å; A467-G470 PolarHBondContact O-N 3.45Å; A467-E472 HydrophobicContact CB-CB 3.94Å; A467-E472 HydrophobicContact CB-CG 4.34Å
468	S	97.4	Very high	97.8	Very high	97 Å²	97	54 Å²	54	68%	0.678	33%	0.326	S	S	*	.	H	α-helix	trans	-62.2	-17.6	175	78.5	0	0	0	0	113.7	A464 F465 L466	A464-S468 PolarHBondContact O-N 2.64Å; F465-S468 PolarHBondContact O-N 2.69Å; F465-S468 PolarHBondContact O-OG 2.86Å; L466-S468 VanDerWaalsContact C-N 3.31Å; L466-S468 PolarHBondContact O-N 3.04Å
469	Q	96.5	Very high	97.8	Very high	83 Å²	83	52.6 Å²	52.6	39%	0.388	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	4.3	175.8	-59.9	-174.9	-10.5	0	0	113.4	F465 L466 A467 K471	F465-Q469 PolarHBondContact O-N 3.38Å; L466-Q469 CarbonylContact O-C 3.48Å; L466-Q469 WeakPolarHBondContact O-CA 3.3Å; L466-Q469 PolarHBondContact O-N 3.27Å; A467-Q469 PolarHBondContact O-N 2.8Å; A467-Q469 VanDerWaalsContact O-N 3.08Å; Q469-K471 VanDerWaalsContact C-N 3.27Å; Q469-K471 HydrophobicContact CB-CD 4.41Å; Q469-K471 HydrophobicContact CB-CG 4.38Å; Q469-K471 PolarHBondContact O-N 3.09Å
470	G	97.4	Very high	97.9	Very high	75 Å²	75	53 Å²	53	77%	0.773	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	21.4	-174.5	0	0	0	0	0	114.4	L466 A467	L466-G470 PolarHBondContact O-N 2.67Å; A467-G470 PolarHBondContact O-N 3.45Å
471	K	97.3	Very high	97.9	Very high	81 Å²	81	54.2 Å²	54.2	35%	0.352	33%	0.328	S	S	.	.			trans	-115.6	8.9	-173.6	-68.6	-178.2	-177	179.3	0	114.3	L466 Q469 A473 L474 L518	L466-K471 HydrophobicContact CB-CB 4.34Å; L466-K471 HydrophobicContact CD2-CB 4.31Å; L466-K471 PolarHBondContact O-N 3.33Å; Q469-K471 VanDerWaalsContact C-N 3.27Å; Q469-K471 HydrophobicContact CB-CD 4.41Å; Q469-K471 HydrophobicContact CB-CG 4.38Å; Q469-K471 PolarHBondContact O-N 3.09Å; K471-A473 VanDerWaalsContact C-N 3.28Å; K471-A473 PolarHBondContact O-N 3.2Å; K471-L474 HydrophobicContact CB-CD1 4.13Å; K471-L474 HydrophobicContact CD-CD1 4.49Å; K471-L474 HydrophobicContact CG-CD1 4.18Å; K471-L474 WeakPolarHBondContact O-CB 3.2Å; K471-L474 PolarHBondContact O-N 3.14Å; K471-L474 VanDerWaalsContact O-N 3.08Å; K471-L518 HydrophobicContact CB-CD1 4.46Å
472	E	97.3	Very high	97.9	Very high	101 Å²	101	51.1 Å²	51.1	47%	0.472	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-41.4	-176.3	-174.9	176.3	-167.3	0	0	113.1	L466 A467 L474 W475	L466-E472 PolarHBondContact O-N 2.95Å; A467-E472 HydrophobicContact CB-CB 3.94Å; A467-E472 HydrophobicContact CB-CG 4.34Å; E472-L474 PolarHBondContact O-N 3.41Å; E472-L474 VanDerWaalsContact O-N 3.11Å; E472-W475 VanDerWaalsContact O-CB 3.27Å; E472-W475 WeakPolarHBondContact O-CB 3.37Å; E472-W475 PolarHBondContact O-N 3.39Å
473	A	97.5	Very high	98	Very high	78 Å²	78	51.1 Å²	51.1	65%	0.645	32%	0.317	S	S	*	.	H	α-helix	trans	-57.3	-30	-179.6	0	0	0	0	0	113.3	K471 W475 E476 S477	K471-A473 VanDerWaalsContact C-N 3.28Å; K471-A473 PolarHBondContact O-N 3.2Å; A473-W475 PolarHBondContact O-N 3.47Å; A473-E476 PolarHBondContact O-N 3.39Å; A473-S477 PolarHBondContact O-N 3.4Å; A473-S477 VanDerWaalsContact O-N 3.12Å; A473-S477 PolarHBondContact O-OG 2.71Å; A473-S477 VanDerWaalsContact O-OG 3.1Å
474	L	98.1	Very high	98	Very high	61 Å²	61	51 Å²	51	32%	0.319	32%	0.316	S	S	.	.	H	α-helix	trans	-68.2	-21.1	179.5	-59	178.9	0	0	0	112.7	K471 E472 V478 V479 L518	K471-L474 HydrophobicContact CB-CD1 4.13Å; K471-L474 HydrophobicContact CD-CD1 4.49Å; K471-L474 HydrophobicContact CG-CD1 4.18Å; K471-L474 WeakPolarHBondContact O-CB 3.2Å; K471-L474 PolarHBondContact O-N 3.14Å; K471-L474 VanDerWaalsContact O-N 3.08Å; E472-L474 PolarHBondContact O-N 3.41Å; E472-L474 VanDerWaalsContact O-N 3.11Å; L474-V478 HydrophobicContact CB-CG2 4.39Å; L474-V478 HydrophobicContact CD2-CG2 3.95Å; L474-V478 WeakPolarHBondContact O-CA 3.4Å; L474-V478 VanDerWaalsContact O-CB 3.32Å; L474-V478 WeakPolarHBondContact O-CB 3.5Å; L474-V478 PolarHBondContact O-N 3.17Å; L474-V479 PolarHBondContact O-N 3.13Å; L474-V479 VanDerWaalsContact O-N 3.08Å; L474-L518 HydrophobicContact CB-CD1 3.74Å; L474-L518 HydrophobicContact CD1-CD1 3.82Å; L474-L518 HydrophobicContact CG-CD1 4.42Å
475	W	98.1	Very high	98	Very high	3 Å²	3	49.9 Å²	49.9	1%	0.011	31%	0.307	C	S	.	.	I	π-helix	trans	-59.2	-54.3	174.7	177.4	-102.6	0	0	0	111.1	D459 F462 K463 L466 E472 A473 V479 V480 M483	D459-W475 HydrophobicContact CB-CZ2 3.96Å; F462-W475 AromaticContact CD1-CE3 3.54Å; F462-W475 HydrophobicContact CD1-CE3 3.54Å; F462-W475 HydrophobicContact CD1-CH2 4.23Å; F462-W475 AromaticContact CD1-CZ3 3.37Å; F462-W475 HydrophobicContact CD1-CZ3 3.37Å; F462-W475 AromaticContact CE1-CE3 3.62Å; F462-W475 HydrophobicContact CE1-CE3 3.62Å; F462-W475 AromaticContact CE1-CZ3 3.54Å; F462-W475 HydrophobicContact CE1-CZ3 3.54Å; K463-W475 VanDerWaalsContact CD-CD1 3.49Å; K463-W475 HydrophobicContact CD-CG 4.04Å; K463-W475 HydrophobicContact CG-CB 4.18Å; K463-W475 HydrophobicContact CG-CD2 4.11Å; K463-W475 HydrophobicContact CG-CG 3.69Å; L466-W475 HydrophobicContact CD1-CB 4.14Å; L466-W475 HydrophobicContact CD1-CE3 4.44Å; E472-W475 VanDerWaalsContact O-CB 3.27Å; E472-W475 WeakPolarHBondContact O-CB 3.37Å; E472-W475 PolarHBondContact O-N 3.39Å; A473-W475 PolarHBondContact O-N 3.47Å; W475-V479 HydrophobicContact CD2-CB 4.4Å; W475-V479 HydrophobicContact CE3-CB 3.8Å; W475-V479 HydrophobicContact CE3-CG1 3.73Å; W475-V479 HydrophobicContact CE3-CG2 4Å; W475-V479 HydrophobicContact CH2-CG1 4.16Å; W475-V479 HydrophobicContact CZ3-CB 4.12Å; W475-V479 HydrophobicContact CZ3-CG1 3.49Å; W475-V479 VanDerWaalsContact CZ3-CG1 3.49Å; W475-V479 HydrophobicContact CZ3-CG2 4.47Å; W475-V479 WeakPolarHBondContact O-CB 3.5Å; W475-V479 PolarHBondContact O-N 3.36Å; W475-V480 HydrophobicContact CD2-CG2 4.39Å; W475-V480 HydrophobicContact CG-CG2 4.48Å; W475-V480 HydrophobicContact CZ2-CG2 4.29Å; W475-V480 WeakPolarHBondContact O-CG2 3.03Å; W475-V480 PolarHBondContact O-N 3.12Å; W475-M483 HydrophobicContact CH2-CE 4.43Å
476	E	97.6	Very high	98	Very high	109 Å²	109	49 Å²	49	51%	0.509	30%	0.303	S	S	.	.	I	π-helix	trans	-75.2	-44.2	179.9	-67	-61.2	156.8	0	0	111.3	A473 L481	A473-E476 PolarHBondContact O-N 3.39Å; E476-L481 WeakPolarHBondContact O-CG 3.49Å
477	S	97.9	Very high	98.1	Very high	67 Å²	67	49 Å²	49	47%	0.469	30%	0.303	S	S	.	.	I	π-helix	trans	-78.4	-20.6	-171.1	73.6	0	0	0	0	114.8	A473	A473-S477 PolarHBondContact O-N 3.4Å; A473-S477 VanDerWaalsContact O-N 3.12Å; A473-S477 PolarHBondContact O-OG 2.71Å; A473-S477 VanDerWaalsContact O-OG 3.1Å
478	V	98.3	Very high	98.1	Very high	35 Å²	35	48.2 Å²	48.2	21%	0.212	29%	0.293	C	S	.	.	I	π-helix	trans	-122.2	-58.9	-179.3	-176.3	0	0	0	0	110.5	L474 G482	L474-V478 HydrophobicContact CB-CG2 4.39Å; L474-V478 HydrophobicContact CD2-CG2 3.95Å; L474-V478 WeakPolarHBondContact O-CA 3.4Å; L474-V478 VanDerWaalsContact O-CB 3.32Å; L474-V478 WeakPolarHBondContact O-CB 3.5Å; L474-V478 PolarHBondContact O-N 3.17Å; V478-G482 PolarHBondContact O-N 3.37Å
479	V	98.7	Very high	98.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	27%	0.266	C	S	.	.	I	π-helix	trans	-66.4	-54.4	-170.2	-175.6	0	0	0	0	111.4	L474 W475 G482 M483 L514 L518	L474-V479 PolarHBondContact O-N 3.13Å; L474-V479 VanDerWaalsContact O-N 3.08Å; W475-V479 HydrophobicContact CD2-CB 4.4Å; W475-V479 HydrophobicContact CE3-CB 3.8Å; W475-V479 HydrophobicContact CE3-CG1 3.73Å; W475-V479 HydrophobicContact CE3-CG2 4Å; W475-V479 HydrophobicContact CH2-CG1 4.16Å; W475-V479 HydrophobicContact CZ3-CB 4.12Å; W475-V479 HydrophobicContact CZ3-CG1 3.49Å; W475-V479 VanDerWaalsContact CZ3-CG1 3.49Å; W475-V479 HydrophobicContact CZ3-CG2 4.47Å; W475-V479 WeakPolarHBondContact O-CB 3.5Å; W475-V479 PolarHBondContact O-N 3.36Å; V479-G482 PolarHBondContact O-N 2.64Å; V479-M483 HydrophobicContact CG1-CE 3.87Å; V479-M483 HydrophobicContact CG1-SD 4.39Å; V479-M483 WeakPolarHBondContact O-CB 3.41Å; V479-M483 VanDerWaalsContact O-CG 3.28Å; V479-M483 WeakPolarHBondContact O-CG 2.91Å; V479-M483 PolarHBondContact O-N 3.05Å; V479-L514 HydrophobicContact CG1-CD1 4.18Å; V479-L514 HydrophobicContact CG1-CD2 3.78Å; V479-L514 HydrophobicContact CG2-CD1 4.05Å; V479-L514 HydrophobicContact CG2-CD2 4.36Å; V479-L518 HydrophobicContact CG2-CB 3.96Å; V479-L518 WeakPolarHBondContact CG2-O 3.48Å
480	V	98.7	Very high	98.1	Very high	10 Å²	10	40.7 Å²	40.7	6%	0.061	25%	0.247	C	C	.	.	I	π-helix	trans	-66.3	-44.3	-178	173	0	0	0	0	111.3	F408 W475 M483 K484	F408-V480 HydrophobicContact CE1-CG1 4.41Å; W475-V480 HydrophobicContact CD2-CG2 4.39Å; W475-V480 HydrophobicContact CG-CG2 4.48Å; W475-V480 HydrophobicContact CZ2-CG2 4.29Å; W475-V480 WeakPolarHBondContact O-CG2 3.03Å; W475-V480 PolarHBondContact O-N 3.12Å; V480-M483 HydrophobicContact CG2-CE 4.36Å; V480-M483 PolarHBondContact O-N 3.06Å; V480-K484 HydrophobicContact CG1-CD 4.04Å; V480-K484 VanDerWaalsContact O-CG 3.29Å; V480-K484 WeakPolarHBondContact O-CG 3.4Å; V480-K484 PolarHBondContact O-N 3.42Å
481	L	98.5	Very high	98	Very high	102 Å²	102	37.1 Å²	37.1	53%	0.534	21%	0.21	S	C	.	.	H	α-helix	trans	-62.9	-44.9	177.9	-71.2	-175.5	0	0	0	112.2	E476 K484 A485	E476-L481 WeakPolarHBondContact O-CG 3.49Å; L481-K484 PolarHBondContact O-N 3.48Å; L481-A485 PolarHBondContact O-N 3.07Å
482	G	98.7	Very high	97.9	Very high	14 Å²	14	34.6 Å²	34.6	14%	0.144	20%	0.199	C	C	.	.	H	α-helix	trans	-64.8	-41.1	177.8	0	0	0	0	0	112.7	V478 V479 K484 A485 A486	V478-G482 PolarHBondContact O-N 3.37Å; V479-G482 PolarHBondContact O-N 2.64Å; G482-K484 PolarHBondContact O-N 3.18Å; G482-A485 PolarHBondContact O-N 2.92Å; G482-A486 WeakPolarHBondContact O-CB 3.35Å; G482-A486 PolarHBondContact O-N 3.31Å
483	M	98.9	Very high	97.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61.7	-43.9	175.1	-74.4	-169.3	-61.8	0	0	111.9	V392 Q394 F408 W475 V479 V480 V487 F512 P520	V392-M483 HydrophobicContact CG1-SD 4.11Å; Q394-M483 HydrophobicContact CB-SD 4.15Å; Q394-M483 HydrophobicContact CG-SD 4.31Å; F408-M483 HydrophobicContact CE2-CB 4.19Å; F408-M483 HydrophobicContact CZ-CB 4.03Å; F408-M483 HydrophobicContact CZ-CE 4.24Å; W475-M483 HydrophobicContact CH2-CE 4.43Å; V479-M483 HydrophobicContact CG1-CE 3.87Å; V479-M483 HydrophobicContact CG1-SD 4.39Å; V479-M483 WeakPolarHBondContact O-CB 3.41Å; V479-M483 VanDerWaalsContact O-CG 3.28Å; V479-M483 WeakPolarHBondContact O-CG 2.91Å; V479-M483 PolarHBondContact O-N 3.05Å; V480-M483 HydrophobicContact CG2-CE 4.36Å; V480-M483 PolarHBondContact O-N 3.06Å; M483-V487 WeakPolarHBondContact O-CG2 3.21Å; M483-V487 PolarHBondContact O-N 3.09Å; M483-V487 VanDerWaalsContact O-N 3.08Å; M483-F512 HydrophobicContact CB-CD2 4.43Å; M483-F512 HydrophobicContact CB-CE1 4.29Å; M483-F512 HydrophobicContact CB-CE2 3.97Å; M483-F512 HydrophobicContact CB-CZ 3.9Å; M483-F512 HydrophobicContact CG-CB 4.49Å; M483-F512 HydrophobicContact CG-CD1 3.91Å; M483-F512 HydrophobicContact CG-CD2 3.72Å; M483-F512 HydrophobicContact CG-CE1 3.97Å; M483-F512 HydrophobicContact CG-CE2 3.77Å; M483-F512 HydrophobicContact CG-CG 3.79Å; M483-F512 HydrophobicContact CG-CZ 3.9Å; M483-F512 HydrophobicContact SD-CB 4.39Å; M483-F512 HydrophobicContact SD-CD2 3.72Å; M483-F512 HydrophobicContact SD-CE2 4.13Å; M483-F512 HydrophobicContact SD-CG 4.07Å; M483-P520 HydrophobicContact CG-CB 3.79Å; M483-P520 HydrophobicContact CG-CG 4.22Å
484	K	98.8	Very high	97.4	Very high	33 Å²	33	26.4 Å²	26.4	14%	0.143	15%	0.149	C	C	.	.	H	α-helix	trans	-60.5	-48.2	176.3	-73.1	171.7	174.4	174.9	0	111.3	F408 V480 L481 G482 V487 I488 I570	F408-K484 HydrophobicContact CD1-CG 4.13Å; F408-K484 HydrophobicContact CD2-CG 3.75Å; F408-K484 HydrophobicContact CE1-CG 4.18Å; F408-K484 HydrophobicContact CE2-CG 3.79Å; F408-K484 HydrophobicContact CG-CG 3.9Å; F408-K484 HydrophobicContact CZ-CG 3.99Å; V480-K484 HydrophobicContact CG1-CD 4.04Å; V480-K484 VanDerWaalsContact O-CG 3.29Å; V480-K484 WeakPolarHBondContact O-CG 3.4Å; V480-K484 PolarHBondContact O-N 3.42Å; L481-K484 PolarHBondContact O-N 3.48Å; G482-K484 PolarHBondContact O-N 3.18Å; K484-V487 PolarHBondContact O-N 3.07Å; K484-I488 VanDerWaalsContact O-CG1 3.3Å; K484-I488 WeakPolarHBondContact O-CG1 3.26Å; K484-I488 PolarHBondContact O-N 3Å; K484-I570 HydrophobicContact CB-CD1 4.17Å; K484-I570 HydrophobicContact CD-CG2 3.88Å; K484-I570 HydrophobicContact CG-CD1 4.17Å; K484-I570 HydrophobicContact CG-CG2 4.14Å
485	A	98.5	Very high	96.8	Very high	38 Å²	38	25 Å²	25	31%	0.314	14%	0.14	S	C	.	.	H	α-helix	trans	-60.5	-48.1	179.2	0	0	0	0	0	111.9	L481 G482 V487 I488 H489	L481-A485 PolarHBondContact O-N 3.07Å; G482-A485 PolarHBondContact O-N 2.92Å; A485-V487 VanDerWaalsContact C-N 3.34Å; A485-V487 PolarHBondContact O-N 3.27Å; A485-I488 PolarHBondContact O-N 3.39Å; A485-I488 VanDerWaalsContact O-N 3.16Å; A485-H489 VanDerWaalsContact O-CG 3.25Å; A485-H489 PolarHBondContact O-N 3.48Å; A485-H489 PolarHBondContact O-ND1 3.1Å
486	A	98.6	Very high	96	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.008	17%	0.168	C	C	.	.	H	α-helix	trans	-59.5	-41.8	178.8	0	0	0	0	0	112.7	F182 G482 A490 F512 L522	F182-A486 HydrophobicContact CB-CB 4.47Å; F182-A486 HydrophobicContact CD2-CB 3.49Å; F182-A486 VanDerWaalsContact CD2-CB 3.49Å; F182-A486 HydrophobicContact CE2-CB 4Å; F182-A486 HydrophobicContact CG-CB 4.19Å; G482-A486 WeakPolarHBondContact O-CB 3.35Å; G482-A486 PolarHBondContact O-N 3.31Å; A486-A490 WeakPolarHBondContact O-CB 3.47Å; A486-A490 PolarHBondContact O-N 2.93Å; A486-F512 HydrophobicContact CB-CE1 3.69Å; A486-F512 HydrophobicContact CB-CZ 4Å; A486-L522 HydrophobicContact CB-CB 4.33Å
487	V	98.5	Very high	95.2	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62	-47.5	174.5	167.9	0	0	0	0	110.8	F396 V406 M483 K484 A485 H489 A490 L491 A510 F512	F396-V487 HydrophobicContact CB-CG1 4.29Å; F396-V487 HydrophobicContact CD1-CG1 3.89Å; F396-V487 HydrophobicContact CD1-CG2 3.96Å; F396-V487 HydrophobicContact CD2-CG1 3.78Å; F396-V487 HydrophobicContact CE1-CG1 4.09Å; F396-V487 HydrophobicContact CE1-CG2 4.16Å; F396-V487 HydrophobicContact CE2-CG1 3.99Å; F396-V487 HydrophobicContact CG-CG1 3.72Å; F396-V487 HydrophobicContact CZ-CG1 4.12Å; V406-V487 HydrophobicContact CG1-CG1 4.18Å; M483-V487 WeakPolarHBondContact O-CG2 3.21Å; M483-V487 PolarHBondContact O-N 3.09Å; M483-V487 VanDerWaalsContact O-N 3.08Å; K484-V487 PolarHBondContact O-N 3.07Å; A485-V487 VanDerWaalsContact C-N 3.34Å; A485-V487 PolarHBondContact O-N 3.27Å; V487-H489 PolarHBondContact O-N 3.39Å; V487-A490 PolarHBondContact O-N 2.67Å; V487-L491 HydrophobicContact CG1-CD1 3.8Å; V487-L491 HydrophobicContact CG1-CG 4.45Å; V487-L491 VanDerWaalsContact O-CG 3.27Å; V487-L491 WeakPolarHBondContact O-CG 3.38Å; V487-L491 PolarHBondContact O-N 3.36Å; V487-A510 HydrophobicContact CG2-CB 4.24Å; V487-F512 HydrophobicContact CG2-CE2 4.42Å; V487-F512 HydrophobicContact CG2-CZ 4.18Å
488	I	97.9	Very high	94.3	Very high	24 Å²	24	26.9 Å²	26.9	12%	0.123	15%	0.148	C	C	.	.	H	α-helix	trans	-60.6	-46.8	179.7	-67.8	164.8	0	0	0	110.7	K484 A485 A490 L491 K492 I570 Y571	K484-I488 VanDerWaalsContact O-CG1 3.3Å; K484-I488 WeakPolarHBondContact O-CG1 3.26Å; K484-I488 PolarHBondContact O-N 3Å; A485-I488 PolarHBondContact O-N 3.39Å; A485-I488 VanDerWaalsContact O-N 3.16Å; I488-A490 PolarHBondContact O-N 3.47Å; I488-L491 PolarHBondContact O-N 2.81Å; I488-K492 HydrophobicContact CG2-CD 3.85Å; I488-K492 HydrophobicContact CG2-CG 4.25Å; I488-K492 WeakPolarHBondContact O-CG 3.48Å; I488-K492 PolarHBondContact O-N 3.28Å; I488-I570 HydrophobicContact CD1-CD1 4.06Å; I488-I570 HydrophobicContact CG1-CD1 4Å; I488-Y571 HydrophobicContact CD1-CD2 4.08Å; I488-Y571 HydrophobicContact CD1-CG 4.3Å; I488-Y571 HydrophobicContact CG1-CD2 4.31Å; I488-Y571 HydrophobicContact CG1-CG 4.2Å; I488-Y571 HydrophobicContact CG2-CD2 3.68Å; I488-Y571 HydrophobicContact CG2-CE2 3.85Å; I488-Y571 HydrophobicContact CG2-CG 4.04Å
489	H	97.8	Very high	93.3	Very high	22 Å²	22	30.5 Å²	30.5	10%	0.102	16%	0.163	C	C	.	.	H	α-helix	trans	-62	-42.2	178.9	-64.9	162.6	0	0	0	112.5	L171 D175 A177 F182 A485 V487 L491 K492 T493	L171-H489 HydrophobicContact CD1-CB 3.74Å; L171-H489 HydrophobicContact CD2-CB 4.05Å; D175-H489 IonicContact OD1-NE2 3.87Å; D175-H489 IonicContact OD2-CD2 3Å; D175-H489 IonicContact OD2-NE2 3.37Å; A177-H489 WeakPolarHBondContact CB-CE1 3.35Å; F182-H489 HydrophobicContact CE1-CB 4.41Å; F182-H489 AromaticContact CE1-ND1 3.48Å; F182-H489 WeakPolarHBondContact CE1-ND1 3.46Å; F182-H489 HydrophobicContact CE2-CB 4.27Å; F182-H489 HydrophobicContact CZ-CB 3.67Å; F182-H489 AromaticContact CZ-ND1 3.62Å; A485-H489 VanDerWaalsContact O-CG 3.25Å; A485-H489 PolarHBondContact O-N 3.48Å; A485-H489 PolarHBondContact O-ND1 3.1Å; V487-H489 PolarHBondContact O-N 3.39Å; H489-L491 VanDerWaalsContact C-N 3.3Å; H489-L491 PolarHBondContact O-N 3.04Å; H489-K492 PolarHBondContact O-N 3.28Å; H489-T493 WeakPolarHBondContact O-CG2 3.08Å; H489-T493 PolarHBondContact O-N 2.99Å; H489-T493 PolarHBondContact O-OG1 2.95Å
490	A	97.1	Very high	92.2	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-63	-35.9	176	0	0	0	0	0	112.6	L164 L168 A486 V487 I488 T493 L522 I525	L164-A490 HydrophobicContact CD1-CB 3.92Å; L168-A490 HydrophobicContact CD2-CB 4.4Å; A486-A490 WeakPolarHBondContact O-CB 3.47Å; A486-A490 PolarHBondContact O-N 2.93Å; V487-A490 PolarHBondContact O-N 2.67Å; I488-A490 PolarHBondContact O-N 3.47Å; A490-T493 PolarHBondContact O-OG1 2.89Å; A490-L522 HydrophobicContact CB-CD2 4.17Å; A490-I525 HydrophobicContact CB-CD1 3.68Å
491	L	95.9	Very high	91.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-76.9	-41.4	178.2	-64.7	170.8	0	0	0	112.3	F158 F396 V398 W401 L404 V406 V487 I488 H489 T493 A494 Q495	F158-L491 HydrophobicContact CD2-CD2 4.18Å; F158-L491 HydrophobicContact CE1-CD2 4.36Å; F158-L491 HydrophobicContact CE2-CD2 3.61Å; F158-L491 HydrophobicContact CZ-CD2 3.71Å; F396-L491 HydrophobicContact CD2-CD1 4.2Å; F396-L491 HydrophobicContact CE2-CD1 3.82Å; F396-L491 HydrophobicContact CE2-CD2 3.94Å; F396-L491 HydrophobicContact CE2-CG 4.29Å; F396-L491 HydrophobicContact CZ-CD2 4.38Å; V398-L491 HydrophobicContact CG2-CD1 3.89Å; V398-L491 HydrophobicContact CG2-CD2 4.05Å; W401-L491 HydrophobicContact CH2-CB 4.34Å; W401-L491 HydrophobicContact CH2-CD2 3.46Å; W401-L491 VanDerWaalsContact CH2-CD2 3.46Å; W401-L491 HydrophobicContact CH2-CG 4.47Å; W401-L491 HydrophobicContact CZ2-CD2 4.2Å; W401-L491 HydrophobicContact CZ3-CB 4.27Å; W401-L491 HydrophobicContact CZ3-CD2 4.22Å; L404-L491 HydrophobicContact CD1-CB 4.39Å; L404-L491 HydrophobicContact CD2-CB 3.99Å; V406-L491 HydrophobicContact CB-CD1 4.27Å; V406-L491 HydrophobicContact CG1-CD1 3.67Å; V406-L491 HydrophobicContact CG2-CD1 3.52Å; V487-L491 HydrophobicContact CG1-CD1 3.8Å; V487-L491 HydrophobicContact CG1-CG 4.45Å; V487-L491 VanDerWaalsContact O-CG 3.27Å; V487-L491 WeakPolarHBondContact O-CG 3.38Å; V487-L491 PolarHBondContact O-N 3.36Å; I488-L491 PolarHBondContact O-N 2.81Å; H489-L491 VanDerWaalsContact C-N 3.3Å; H489-L491 PolarHBondContact O-N 3.04Å; L491-T493 VanDerWaalsContact C-N 3.26Å; L491-T493 PolarHBondContact O-N 3.5Å; L491-A494 PolarHBondContact O-N 3.42Å; L491-Q495 PolarHBondContact O-N 3.25Å; L491-Q495 VanDerWaalsContact O-N 3.09Å
492	K	93.8	Very high	91.2	Very high	28 Å²	28	35.2 Å²	35.2	12%	0.122	18%	0.183	C	C	.	.	H	α-helix	trans	-55.1	-43	176.9	-76.9	176.2	67.2	175.5	0	111.7	F174 D175 L404 I488 H489 A494 Q495	F174-K492 HydrophobicContact CB-CB 4.21Å; F174-K492 WeakPolarHBondContact O-CE 3.27Å; F174-K492 PolarHBondContact O-NZ 3.04Å; D175-K492 IonicContact OD2-NZ 2.92Å; D175-K492 PolarHBondContact OD2-NZ 3.08Å; L404-K492 HydrophobicContact CD2-CG 4.32Å; I488-K492 HydrophobicContact CG2-CD 3.85Å; I488-K492 HydrophobicContact CG2-CG 4.25Å; I488-K492 WeakPolarHBondContact O-CG 3.48Å; I488-K492 PolarHBondContact O-N 3.28Å; H489-K492 PolarHBondContact O-N 3.28Å; K492-A494 PolarHBondContact O-N 3.21Å; K492-Q495 PolarHBondContact O-N 3.42Å
493	T	93.2	Very high	90.9	Very high	8 Å²	8	36.9 Å²	36.9	5%	0.049	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-13.2	179.1	54.1	0	0	0	0	114.4	N167 L171 F174 H489 A490 L491	N167-T493 WeakPolarHBondContact O-CB 3.34Å; N167-T493 WeakPolarHBondContact O-CG2 3.48Å; L171-T493 HydrophobicContact CB-CG2 4.06Å; L171-T493 HydrophobicContact CD1-CG2 3.79Å; F174-T493 HydrophobicContact CD2-CG2 3.69Å; F174-T493 HydrophobicContact CE2-CG2 4.06Å; H489-T493 WeakPolarHBondContact O-CG2 3.08Å; H489-T493 PolarHBondContact O-N 2.99Å; H489-T493 PolarHBondContact O-OG1 2.95Å; A490-T493 PolarHBondContact O-OG1 2.89Å; L491-T493 VanDerWaalsContact C-N 3.26Å; L491-T493 PolarHBondContact O-N 3.5Å
494	A	91.2	Very high	90.6	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-9.5	179.6	0	0	0	0	0	114	F158 L491 K492 D496 L497 I498	F158-A494 HydrophobicContact CB-CB 4.11Å; F158-A494 HydrophobicContact CD1-CB 3.32Å; F158-A494 HydrophobicContact CE1-CB 4.05Å; F158-A494 HydrophobicContact CG-CB 4Å; L491-A494 PolarHBondContact O-N 3.42Å; K492-A494 PolarHBondContact O-N 3.21Å; A494-D496 VanDerWaalsContact C-N 3.31Å; A494-D496 PolarHBondContact O-N 2.84Å; A494-L497 WeakPolarHBondContact O-CB 3.38Å; A494-L497 PolarHBondContact O-N 3.39Å; A494-I498 HydrophobicContact CB-CD1 4.13Å; A494-I498 WeakPolarHBondContact O-CD1 3.22Å; A494-I498 WeakPolarHBondContact O-CG1 3.26Å
495	Q	87	Confident	90.5	Very high	31 Å²	31	35.6 Å²	35.6	15%	0.145	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-58.3	-40.9	-168.8	-176.5	171.5	-9.8	0	0	112.8	W401 L491 K492 L497 I498 Q573	W401-Q495 HydrophobicContact CE3-CB 4.15Å; W401-Q495 HydrophobicContact CE3-CG 4.15Å; W401-Q495 HydrophobicContact CZ3-CB 4.34Å; W401-Q495 PolarHBondContact O-NE2 3.49Å; L491-Q495 PolarHBondContact O-N 3.25Å; L491-Q495 VanDerWaalsContact O-N 3.09Å; K492-Q495 PolarHBondContact O-N 3.42Å; Q495-L497 PolarHBondContact O-N 3.32Å; Q495-I498 PolarHBondContact O-N 3.31Å; Q495-Q573 VanDerWaalsContact OE1-OE1 3.12Å
496	D	80.4	Confident	90.4	Very high	112 Å²	112	33.9 Å²	33.9	60%	0.599	17%	0.169	S	C	*	.	G	3₁₀ helix	trans	-75.1	-12.1	-179.6	-60.5	-31.9	0	0	0	113.4	A494	A494-D496 VanDerWaalsContact C-N 3.31Å; A494-D496 PolarHBondContact O-N 2.84Å
497	L	80	Confident	90.3	Very high	92 Å²	92	34.6 Å²	34.6	48%	0.482	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-92.7	-6.7	-178	-56.6	176.7	0	0	0	112.7	S157 A494 Q495	S157-L497 WeakPolarHBondContact OG-CD1 3.43Å; A494-L497 WeakPolarHBondContact O-CB 3.38Å; A494-L497 PolarHBondContact O-N 3.39Å; Q495-L497 PolarHBondContact O-N 3.32Å
498	I	80.7	Confident	90.3	Very high	14 Å²	14	34.6 Å²	34.6	7%	0.072	17%	0.173	C	C	.	.	S	Bend	trans	-112.3	122.5	-169.2	-62.9	164.2	0	0	0	109.7	F158 W401 A494 Q495 S500	F158-I498 HydrophobicContact CD1-CD1 4.19Å; F158-I498 HydrophobicContact CE1-CD1 3.53Å; W401-I498 HydrophobicContact CD2-CB 4.27Å; W401-I498 HydrophobicContact CD2-CD1 3.88Å; W401-I498 HydrophobicContact CD2-CG2 4.07Å; W401-I498 HydrophobicContact CE3-CD1 3.84Å; W401-I498 HydrophobicContact CG-CG2 4.04Å; W401-I498 HydrophobicContact CH2-CD1 3.13Å; W401-I498 HydrophobicContact CZ2-CD1 3.18Å; W401-I498 HydrophobicContact CZ2-CG1 4.49Å; W401-I498 HydrophobicContact CZ3-CD1 3.49Å; W401-I498 VanDerWaalsContact CZ3-CD1 3.49Å; A494-I498 HydrophobicContact CB-CD1 4.13Å; A494-I498 WeakPolarHBondContact O-CD1 3.22Å; A494-I498 WeakPolarHBondContact O-CG1 3.26Å; Q495-I498 PolarHBondContact O-N 3.31Å; I498-S500 PolarHBondContact O-N 3.19Å
499	E	76.7	Confident	90.3	Very high	112 Å²	112	33.5 Å²	33.5	52%	0.523	17%	0.167	S	C	.	.			trans	-72.6	112.4	171.2	-170.4	173.9	178.7	0	0	108.9
500	S	76.1	Confident	90.3	Very high	53 Å²	53	32.4 Å²	32.4	37%	0.371	16%	0.162	S	C	.	.			trans	-87.7	129.1	-177.9	-168.1	0	0	0	0	110.8	I498	I498-S500 PolarHBondContact O-N 3.19Å
501	R	86.6	Confident	90.4	Very high	48 Å²	48	32.6 Å²	32.6	18%	0.181	16%	0.163	C	C	.	.			trans	-119.4	129.8	165.9	-172.3	-170.4	159.1	-75.8	-5.7	107.9	Q144 K145 Q147 N503 T504	Q144-R501 PolarHBondContact O-NH2 3.12Å; K145-R501 PolarHBondContact O-NH2 2.96Å; Q147-R501 PolarHBondContact O-NH1 3.07Å; Q147-R501 VanDerWaalsContact O-NH1 3.11Å; Q147-R501 PolarHBondContact O-NH2 2.88Å; R501-N503 PolarHBondContact NH1-O 3.24Å; R501-N503 VanDerWaalsContact NH1-O 3.13Å; R501-T504 PolarHBondContact NH1-OG1 3.04Å; R501-T504 WeakPolarHBondContact O-CB 3.4Å; R501-T504 PolarHBondContact O-N 3.07Å
502	K	88.4	Confident	90.5	Very high	109 Å²	109	32.6 Å²	32.6	47%	0.474	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	154.3	169.7	-65.1	-57.8	-176.4	-165.3	0	109.8	D400 N402 T504	D400-K502 IonicContact OD1-NZ 2.97Å; D400-K502 PolarHBondContact OD1-NZ 3.2Å; D400-K502 IonicContact OD2-NZ 2.74Å; D400-K502 PolarHBondContact OD2-NZ 3.23Å; N402-K502 PolarHBondContact O-NZ 3.19Å; K502-T504 PolarHBondContact O-N 3.04Å
503	N	93	Very high	90.7	Very high	49 Å²	49	32 Å²	32	26%	0.262	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	61	31.6	-174.1	-57.5	-44.4	0	0	0	112.9	K145 Q147 I148 I149 R501 R557	K145-N503 PolarHBondContact O-ND2 3.33Å; Q147-N503 WeakPolarHBondContact O-CB 3.47Å; I148-N503 VanDerWaalsContact CA-O 3.26Å; I148-N503 WeakPolarHBondContact CA-O 3.33Å; I148-N503 HydrophobicContact CG1-CB 4.16Å; I149-N503 PolarHBondContact N-O 3.25Å; R501-N503 PolarHBondContact NH1-O 3.24Å; R501-N503 VanDerWaalsContact NH1-O 3.13Å; N503-R557 PolarHBondContact OD1-NH1 3.25Å
504	T	93.3	Very high	91	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.012	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-128	134.9	169	-61.1	0	0	0	0	108	I149 H151 F152 R501 K502	I149-T504 HydrophobicContact CG2-CG2 3.97Å; I149-T504 WeakPolarHBondContact O-CA 2.94Å; H151-T504 WeakPolarHBondContact O-CG2 3.41Å; F152-T504 HydrophobicContact CB-CG2 4.36Å; F152-T504 HydrophobicContact CD1-CG2 3.43Å; F152-T504 VanDerWaalsContact CD1-CG2 3.43Å; F152-T504 HydrophobicContact CE1-CG2 3.75Å; F152-T504 WeakPolarHBondContact CE1-O 3.36Å; F152-T504 HydrophobicContact CG-CG2 3.95Å; F152-T504 WeakPolarHBondContact CZ-O 3.16Å; R501-T504 PolarHBondContact NH1-OG1 3.04Å; R501-T504 WeakPolarHBondContact O-CB 3.4Å; R501-T504 PolarHBondContact O-N 3.07Å; K502-T504 PolarHBondContact O-N 3.04Å
505	F	95.9	Very high	91.3	Very high	5 Å²	5	32.6 Å²	32.6	2%	0.022	16%	0.164	C	C	.	.			trans	-137.6	161.5	178	64.7	-92.7	0	0	0	108.7	F129 W131 I148 I149 N150 H151 L397 V398 T399 T549 V553	F129-F505 AromaticContact CE2-CE1 3.99Å; F129-F505 HydrophobicContact CE2-CE1 3.99Å; F129-F505 HydrophobicContact CE2-CZ 4.2Å; F129-F505 HydrophobicContact CZ-CE1 4.23Å; F129-F505 AromaticContact CZ-CZ 3.97Å; F129-F505 HydrophobicContact CZ-CZ 3.97Å; W131-F505 HydrophobicContact CE3-CE2 4.44Å; W131-F505 HydrophobicContact CE3-CZ 4.08Å; W131-F505 HydrophobicContact CH2-CE2 4.4Å; W131-F505 AromaticContact CZ3-CE2 3.84Å; W131-F505 HydrophobicContact CZ3-CE2 3.84Å; W131-F505 AromaticContact CZ3-CZ 3.79Å; W131-F505 HydrophobicContact CZ3-CZ 3.79Å; I148-F505 HydrophobicContact CG2-CD1 3.94Å; I148-F505 HydrophobicContact CG2-CE1 3.64Å; I149-F505 PolarHBondContact O-N 3.37Å; I149-F505 VanDerWaalsContact O-N 3.14Å; N150-F505 CarbonylContact C-O 3.58Å; N150-F505 VanDerWaalsContact CA-O 3.22Å; N150-F505 WeakPolarHBondContact CA-O 2.97Å; N150-F505 HydrophobicContact CB-CD2 4.2Å; N150-F505 HydrophobicContact CB-CE1 4.31Å; N150-F505 HydrophobicContact CB-CE2 3.45Å; N150-F505 VanDerWaalsContact CB-CE2 3.45Å; N150-F505 HydrophobicContact CB-CZ 3.52Å; H151-F505 PolarHBondContact N-O 3.2Å; H151-F505 VanDerWaalsContact N-O 3.12Å; L397-F505 HydrophobicContact CD1-CB 4.2Å; L397-F505 HydrophobicContact CD1-CD2 3.7Å; L397-F505 HydrophobicContact CD1-CG 4.37Å; V398-F505 CarbonylContact O-C 3.53Å; V398-F505 WeakPolarHBondContact O-CA 3.1Å; V398-F505 WeakPolarHBondContact O-CB 3.26Å; T399-F505 HydrophobicContact CG2-CB 4.33Å; F505-T549 HydrophobicContact CD2-CG2 4.18Å; F505-T549 HydrophobicContact CE2-CG2 3.69Å; F505-T549 HydrophobicContact CZ-CG2 4.44Å; F505-V553 HydrophobicContact CB-CG1 4.11Å; F505-V553 HydrophobicContact CD1-CB 3.97Å; F505-V553 HydrophobicContact CD1-CG1 3.67Å; F505-V553 HydrophobicContact CD1-CG2 4.22Å; F505-V553 HydrophobicContact CD2-CG1 3.99Å; F505-V553 HydrophobicContact CE1-CB 3.99Å; F505-V553 HydrophobicContact CE1-CG1 4Å; F505-V553 HydrophobicContact CE1-CG2 3.72Å; F505-V553 HydrophobicContact CE2-CG1 4.29Å; F505-V553 HydrophobicContact CG-CB 4.46Å; F505-V553 HydrophobicContact CG-CG1 3.66Å; F505-V553 HydrophobicContact CZ-CB 4.49Å; F505-V553 HydrophobicContact CZ-CG1 4.3Å; F505-V553 HydrophobicContact CZ-CG2 3.91Å
506	E	96.1	Very high	91.6	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.009	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	132.3	174.6	-168	163	172.6	0	0	110.7	H151 F152 V398 Y508 A527	H151-E506 IonicContact ND1-OE1 3.55Å; F152-E506 HydrophobicContact CD2-CB 3.46Å; F152-E506 VanDerWaalsContact CD2-CB 3.46Å; F152-E506 HydrophobicContact CD2-CG 4.5Å; F152-E506 WeakPolarHBondContact CD2-OE2 3.42Å; F152-E506 HydrophobicContact CE2-CB 3.56Å; F152-E506 PolarHBondContact N-OE2 3.48Å; V398-E506 PolarHBondContact N-O 3.41Å; V398-E506 PolarHBondContact O-N 3.07Å; E506-Y508 HydrophobicContact CB-CD2 4.46Å; E506-Y508 HydrophobicContact CB-CE1 4.42Å; E506-Y508 HydrophobicContact CB-CE2 3.68Å; E506-Y508 VanDerWaalsContact CD-OH 3.28Å; E506-Y508 HydrophobicContact CG-CD1 4.43Å; E506-Y508 HydrophobicContact CG-CD2 4.5Å; E506-Y508 HydrophobicContact CG-CE1 3.81Å; E506-Y508 HydrophobicContact CG-CE2 3.93Å; E506-Y508 WeakPolarHBondContact O-CD2 3.37Å; E506-Y508 WeakPolarHBondContact O-CE2 3.37Å; E506-Y508 PolarHBondContact OE2-OH 3.04Å; E506-A527 WeakPolarHBondContact OE1-CB 3.43Å
507	L	97.7	Very high	92.3	Very high	15 Å²	15	35.1 Å²	35.1	8%	0.079	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	125.2	174.5	-177.1	65.5	0	0	0	108.5	W395 L397 P529 M531 V545 F567	W395-L507 HydrophobicContact CB-CD1 4.32Å; L397-L507 HydrophobicContact CB-CD1 4.24Å; L397-L507 HydrophobicContact CD1-CB 4.41Å; L507-P529 HydrophobicContact CG-CG 4.35Å; L507-P529 WeakPolarHBondContact O-CD 3.35Å; L507-M531 HydrophobicContact CD2-CE 3.45Å; L507-M531 VanDerWaalsContact CD2-CE 3.45Å; L507-M531 HydrophobicContact CG-CE 4.39Å; L507-V545 HydrophobicContact CD1-CG2 4.24Å; L507-V545 HydrophobicContact CD2-CG2 4.26Å; L507-F567 HydrophobicContact CD1-CE1 4.46Å; L507-F567 HydrophobicContact CD1-CZ 3.88Å
508	Y	97.8	Very high	93.2	Very high	1 Å²	1	30.9 Å²	30.9	0%	0.004	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	155.8	-180	-62.3	-80.4	0	0	0	110.9	F152 F158 T159 W395 F396 V398 E506 I525 N526 A527	F152-Y508 WeakPolarHBondContact CD2-OH 3.44Å; F158-Y508 HydrophobicContact CE2-CD1 4.18Å; F158-Y508 AromaticContact CE2-CE1 4Å; F158-Y508 HydrophobicContact CE2-CE1 4Å; F158-Y508 HydrophobicContact CZ-CD1 4.49Å; F158-Y508 AromaticContact CZ-CE1 3.86Å; F158-Y508 HydrophobicContact CZ-CE1 3.86Å; F158-Y508 HydrophobicContact CZ-CE2 4.23Å; F158-Y508 AromaticContact CZ-CZ 3.7Å; T159-Y508 HydrophobicContact CG2-CD1 3.95Å; T159-Y508 HydrophobicContact CG2-CE1 3.73Å; W395-Y508 WeakPolarHBondContact CA-O 3.24Å; F396-Y508 HydrophobicContact CD2-CD2 4.06Å; F396-Y508 VanDerWaalsContact CE1-CB 3.45Å; F396-Y508 HydrophobicContact CE1-CG 4.37Å; F396-Y508 AromaticContact CE2-CD2 3.41Å; F396-Y508 HydrophobicContact CE2-CD2 3.41Å; F396-Y508 VanDerWaalsContact CE2-CD2 3.41Å; F396-Y508 HydrophobicContact CE2-CE2 4.31Å; F396-Y508 AromaticContact CE2-CG 3.75Å; F396-Y508 HydrophobicContact CE2-CG 3.75Å; F396-Y508 AromaticContact CZ-CD2 3.85Å; F396-Y508 HydrophobicContact CZ-CD2 3.85Å; F396-Y508 AromaticContact CZ-CG 3.68Å; F396-Y508 HydrophobicContact CZ-CG 3.68Å; F396-Y508 PolarHBondContact N-O 3.43Å; F396-Y508 VanDerWaalsContact N-O 3.14Å; F396-Y508 PolarHBondContact O-N 2.88Å; V398-Y508 HydrophobicContact CB-CE2 4.02Å; V398-Y508 HydrophobicContact CG2-CD2 4.01Å; V398-Y508 HydrophobicContact CG2-CE2 3.77Å; E506-Y508 HydrophobicContact CB-CD2 4.46Å; E506-Y508 HydrophobicContact CB-CE1 4.42Å; E506-Y508 HydrophobicContact CB-CE2 3.68Å; E506-Y508 VanDerWaalsContact CD-OH 3.28Å; E506-Y508 HydrophobicContact CG-CD1 4.43Å; E506-Y508 HydrophobicContact CG-CD2 4.5Å; E506-Y508 HydrophobicContact CG-CE1 3.81Å; E506-Y508 HydrophobicContact CG-CE2 3.93Å; E506-Y508 WeakPolarHBondContact O-CD2 3.37Å; E506-Y508 WeakPolarHBondContact O-CE2 3.37Å; E506-Y508 PolarHBondContact OE2-OH 3.04Å; Y508-I525 HydrophobicContact CD1-CG2 4.26Å; Y508-I525 HydrophobicContact CG-CG2 4.46Å; Y508-N526 WeakPolarHBondContact CA-O 3.3Å; Y508-A527 HydrophobicContact CD1-CB 4.36Å; Y508-A527 HydrophobicContact CE1-CB 4.2Å
509	G	97.8	Very high	94	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	119.9	168.5	0	0	0	0	0	110.3	Q394 I525 N526	Q394-G509 CarbonylContact O-C 3.54Å; Q394-G509 WeakPolarHBondContact O-CA 3.15Å; G509-I525 CarbonylContact O-C 3.59Å; G509-I525 WeakPolarHBondContact O-CA 3.31Å; G509-N526 PolarHBondContact N-O 3.34Å; G509-N526 PolarHBondContact O-N 2.89Å
510	A	98.4	Very high	95	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	134.9	170.2	0	0	0	0	0	110	Q394 F396 V487 F512 L522 E524 I525	Q394-A510 PolarHBondContact N-O 2.81Å; Q394-A510 PolarHBondContact O-N 3.44Å; F396-A510 HydrophobicContact CD1-CB 4.31Å; F396-A510 HydrophobicContact CE1-CB 4.04Å; V487-A510 HydrophobicContact CG2-CB 4.24Å; A510-F512 HydrophobicContact CB-CD2 4.12Å; A510-F512 HydrophobicContact CB-CE2 3.47Å; A510-F512 VanDerWaalsContact CB-CE2 3.47Å; A510-F512 HydrophobicContact CB-CZ 4.21Å; A510-L522 HydrophobicContact CB-CD1 4.07Å; A510-E524 WeakPolarHBondContact CA-O 3.46Å; A510-I525 HydrophobicContact CB-CG1 4.27Å
511	D	98.3	Very high	96.1	Very high	3 Å²	3	25.3 Å²	25.3	2%	0.016	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	123.6	174.9	-73.7	-6.4	0	0	0	109.3	V392 R393 R415 I523 E524	V392-D511 WeakPolarHBondContact O-CA 3.48Å; R393-D511 IonicContact CZ-OD1 3.81Å; R393-D511 IonicContact NE-OD1 3.33Å; R393-D511 PolarHBondContact NE-OD1 3.44Å; R393-D511 VanDerWaalsContact NH2-CG 3.31Å; R393-D511 IonicContact NH2-OD1 3.88Å; R393-D511 PolarHBondContact NH2-OD1 2.89Å; R393-D511 IonicContact NH2-OD2 2.78Å; R393-D511 PolarHBondContact NH2-OD2 2.97Å; R415-D511 IonicContact CZ-OD1 2.81Å; R415-D511 IonicContact CZ-OD2 3.45Å; R415-D511 IonicContact NH1-OD2 3.71Å; R415-D511 IonicContact NH2-OD1 3.29Å; R415-D511 PolarHBondContact NH2-OD1 3.4Å; R415-D511 IonicContact NH2-OD2 3.32Å; R415-D511 PolarHBondContact NH2-OD2 3.24Å; D511-I523 HydrophobicContact CB-CB 4.49Å; D511-I523 WeakPolarHBondContact O-CB 3.45Å; D511-I523 PolarHBondContact O-N 3.2Å; D511-E524 HydrophobicContact CB-CG 3.82Å; D511-E524 PolarHBondContact N-O 2.84Å
512	F	98.8	Very high	96.7	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	147.1	178.2	-69.6	-90.3	0	0	0	111.4	D391 V392 Q394 M483 A486 V487 A510 P520 W521 L522	D391-F512 CarbonylContact C-O 3.52Å; D391-F512 VanDerWaalsContact CA-O 3.28Å; D391-F512 WeakPolarHBondContact CA-O 3.29Å; D391-F512 WeakPolarHBondContact CB-O 3.22Å; V392-F512 HydrophobicContact CB-CB 4.34Å; V392-F512 PolarHBondContact N-O 2.78Å; V392-F512 PolarHBondContact O-N 2.88Å; Q394-F512 HydrophobicContact CB-CD2 4.16Å; Q394-F512 HydrophobicContact CB-CE2 4.15Å; M483-F512 HydrophobicContact CB-CD2 4.43Å; M483-F512 HydrophobicContact CB-CE1 4.29Å; M483-F512 HydrophobicContact CB-CE2 3.97Å; M483-F512 HydrophobicContact CB-CZ 3.9Å; M483-F512 HydrophobicContact CG-CB 4.49Å; M483-F512 HydrophobicContact CG-CD1 3.91Å; M483-F512 HydrophobicContact CG-CD2 3.72Å; M483-F512 HydrophobicContact CG-CE1 3.97Å; M483-F512 HydrophobicContact CG-CE2 3.77Å; M483-F512 HydrophobicContact CG-CG 3.79Å; M483-F512 HydrophobicContact CG-CZ 3.9Å; M483-F512 HydrophobicContact SD-CB 4.39Å; M483-F512 HydrophobicContact SD-CD2 3.72Å; M483-F512 HydrophobicContact SD-CE2 4.13Å; M483-F512 HydrophobicContact SD-CG 4.07Å; A486-F512 HydrophobicContact CB-CE1 3.69Å; A486-F512 HydrophobicContact CB-CZ 4Å; V487-F512 HydrophobicContact CG2-CE2 4.42Å; V487-F512 HydrophobicContact CG2-CZ 4.18Å; A510-F512 HydrophobicContact CB-CD2 4.12Å; A510-F512 HydrophobicContact CB-CE2 3.47Å; A510-F512 VanDerWaalsContact CB-CE2 3.47Å; A510-F512 HydrophobicContact CB-CZ 4.21Å; F512-P520 HydrophobicContact CD1-CB 3.93Å; F512-W521 VanDerWaalsContact CA-O 3.3Å; F512-W521 WeakPolarHBondContact CA-O 3.42Å; F512-L522 HydrophobicContact CD1-CB 4.16Å; F512-L522 HydrophobicContact CD1-CD1 4.43Å; F512-L522 HydrophobicContact CE1-CB 3.74Å; F512-L522 HydrophobicContact CE1-CD1 3.91Å; F512-L522 HydrophobicContact CE1-CG 4.41Å; F512-L522 HydrophobicContact CE2-CD1 4.21Å; F512-L522 HydrophobicContact CZ-CB 4.42Å; F512-L522 HydrophobicContact CZ-CD1 3.78Å
513	M	98.4	Very high	97.1	Very high	16 Å²	16	19 Å²	19	8%	0.079	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	154	159.4	-68.5	-161.8	-42.9	0	0	109.5	I379 K389 D391 W521 I523	I379-M513 HydrophobicContact CB-CE 3.54Å; I379-M513 HydrophobicContact CD1-CB 4.27Å; I379-M513 HydrophobicContact CD1-CE 3.6Å; I379-M513 HydrophobicContact CG1-CE 3.72Å; I379-M513 HydrophobicContact CG2-CE 4.21Å; K389-M513 WeakPolarHBondContact CE-SD 3.2Å; D391-M513 HydrophobicContact CB-CG 4.08Å; M513-W521 PolarHBondContact N-O 2.7Å; M513-W521 PolarHBondContact O-N 3.23Å; M513-I523 HydrophobicContact CB-CD1 4.29Å; M513-I523 HydrophobicContact CB-CG1 4.39Å; M513-I523 HydrophobicContact CE-CD1 4.22Å; M513-I523 HydrophobicContact CG-CD1 4.21Å; M513-I523 HydrophobicContact CG-CG1 3.99Å
514	L	98.6	Very high	97.2	Very high	2 Å²	2	18.2 Å²	18.2	1%	0.01	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	144.9	175.3	-51.8	-174.6	0	0	0	109.2	P382 F383 F390 F462 V479 L518 Q519 P520	P382-L514 CarbonylContact C-O 3.58Å; P382-L514 WeakPolarHBondContact CA-O 3.26Å; F383-L514 HydrophobicContact CB-CB 3.93Å; F383-L514 PolarHBondContact N-O 3.19Å; F390-L514 HydrophobicContact CE2-CD1 4.29Å; F390-L514 HydrophobicContact CE2-CG 4.43Å; F390-L514 HydrophobicContact CZ-CD1 4.13Å; F390-L514 HydrophobicContact CZ-CG 4.4Å; F462-L514 HydrophobicContact CE1-CD1 3.86Å; F462-L514 HydrophobicContact CZ-CD1 3.83Å; V479-L514 HydrophobicContact CG1-CD1 4.18Å; V479-L514 HydrophobicContact CG1-CD2 3.78Å; V479-L514 HydrophobicContact CG2-CD1 4.05Å; V479-L514 HydrophobicContact CG2-CD2 4.36Å; L514-L518 HydrophobicContact CD1-CD2 3.87Å; L514-Q519 WeakPolarHBondContact CA-O 3.5Å; L514-P520 HydrophobicContact CD2-CB 3.82Å
515	D	96.6	Very high	97.3	Very high	18 Å²	18	18.2 Å²	18.2	10%	0.096	10%	0.1	C	C	.	.	B	Isolated β-bridge	trans	-92.2	-179.3	168.8	68.9	19.6	0	0	0	112.4	I328 F383 S517 L518 Q519 W521	I328-D515 HydrophobicContact CG2-CB 3.47Å; I328-D515 VanDerWaalsContact CG2-CB 3.47Å; F383-D515 WeakPolarHBondContact CB-O 3.25Å; D515-S517 PolarHBondContact O-N 3.09Å; D515-S517 WeakPolarHBondContact OD1-CA 3.37Å; D515-S517 WeakPolarHBondContact OD1-CB 3.3Å; D515-S517 PolarHBondContact OD1-N 2.8Å; D515-L518 WeakPolarHBondContact O-CA 3.39Å; D515-L518 PolarHBondContact O-N 3.03Å; D515-L518 PolarHBondContact OD1-N 2.75Å; D515-Q519 PolarHBondContact N-O 3.16Å; D515-Q519 VanDerWaalsContact N-O 3.17Å; D515-Q519 WeakPolarHBondContact OD1-CB 3.24Å; D515-Q519 PolarHBondContact OD1-N 3.18Å; D515-Q519 WeakPolarHBondContact OD2-CB 3.48Å; D515-W521 PolarHBondContact OD2-NE1 3.11Å
516	L	95.1	Very high	97.1	Very high	106 Å²	106	19.2 Å²	19.2	56%	0.555	11%	0.105	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-24.9	-179.5	-61.5	179.5	0	0	0	114.1	K381 L518	K381-L516 HydrophobicContact CB-CD1 4.09Å; K381-L516 HydrophobicContact CB-CG 4.3Å; K381-L516 HydrophobicContact CD-CD1 4.46Å; L516-L518 VanDerWaalsContact C-N 3.34Å
517	S	94.9	Very high	96.9	Very high	91 Å²	91	20.5 Å²	20.5	64%	0.636	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.3	7.3	177.1	-60.2	0	0	0	0	113	D515 Q519	D515-S517 PolarHBondContact O-N 3.09Å; D515-S517 WeakPolarHBondContact OD1-CA 3.37Å; D515-S517 WeakPolarHBondContact OD1-CB 3.3Å; D515-S517 PolarHBondContact OD1-N 2.8Å; S517-Q519 PolarHBondContact O-N 3.16Å
518	L	97.7	Very high	96.4	Very high	2 Å²	2	22 Å²	22	1%	0.01	13%	0.128	C	C	.	.			trans	62.7	16.5	-173.4	-63.1	170	0	0	0	114.3	F383 F462 L466 K471 L474 V479 L514 D515 L516	F383-L518 HydrophobicContact CB-CD2 4.46Å; F383-L518 HydrophobicContact CD1-CD2 3.91Å; F383-L518 HydrophobicContact CD2-CD2 3.65Å; F383-L518 HydrophobicContact CD2-CG 4.3Å; F383-L518 HydrophobicContact CE1-CD2 4.01Å; F383-L518 HydrophobicContact CE2-CD2 3.76Å; F383-L518 HydrophobicContact CE2-CG 4.3Å; F383-L518 HydrophobicContact CG-CD2 3.74Å; F383-L518 HydrophobicContact CZ-CD2 3.94Å; F462-L518 HydrophobicContact CZ-CD2 4.27Å; L466-L518 HydrophobicContact CD1-CD1 4.25Å; L466-L518 HydrophobicContact CD2-CD1 3.93Å; L466-L518 HydrophobicContact CD2-CD2 4.16Å; K471-L518 HydrophobicContact CB-CD1 4.46Å; L474-L518 HydrophobicContact CB-CD1 3.74Å; L474-L518 HydrophobicContact CD1-CD1 3.82Å; L474-L518 HydrophobicContact CG-CD1 4.42Å; V479-L518 HydrophobicContact CG2-CB 3.96Å; V479-L518 WeakPolarHBondContact CG2-O 3.48Å; L514-L518 HydrophobicContact CD1-CD2 3.87Å; D515-L518 WeakPolarHBondContact O-CA 3.39Å; D515-L518 PolarHBondContact O-N 3.03Å; D515-L518 PolarHBondContact OD1-N 2.75Å; L516-L518 VanDerWaalsContact C-N 3.34Å
519	Q	97.8	Very high	96.1	Very high	58 Å²	58	22.3 Å²	22.3	27%	0.271	13%	0.13	S	C	.	.			trans	-69.3	129.7	174.5	179.4	68.8	-8.5	0	0	109.4	S181 L514 D515 S517	S181-Q519 PolarHBondContact O-NE2 3.26Å; L514-Q519 WeakPolarHBondContact CA-O 3.5Å; D515-Q519 PolarHBondContact N-O 3.16Å; D515-Q519 VanDerWaalsContact N-O 3.17Å; D515-Q519 WeakPolarHBondContact OD1-CB 3.24Å; D515-Q519 PolarHBondContact OD1-N 3.18Å; D515-Q519 WeakPolarHBondContact OD2-CB 3.48Å; S517-Q519 PolarHBondContact O-N 3.16Å
520	P	98.6	Very high	95.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	129.9	179.8	32.1	-34.7	0	0	0	112	M483 F512 L514	M483-P520 HydrophobicContact CG-CB 3.79Å; M483-P520 HydrophobicContact CG-CG 4.22Å; F512-P520 HydrophobicContact CD1-CB 3.93Å; L514-P520 HydrophobicContact CD2-CB 3.82Å
521	W	98.7	Very high	95.5	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.015	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	113.3	178.2	-66.6	89.8	0	0	0	110.1	D180 F182 P184 Q325 I328 I379 F512 M513 D515 I523	D180-W521 WeakPolarHBondContact O-CH2 3.48Å; D180-W521 WeakPolarHBondContact O-CZ3 3.26Å; F182-W521 CarbonylContact O-C 3.35Å; F182-W521 WeakPolarHBondContact O-CA 3.37Å; P184-W521 HydrophobicContact CG-CB 4.25Å; P184-W521 HydrophobicContact CG-CE3 3.96Å; Q325-W521 HydrophobicContact CB-CH2 4.48Å; Q325-W521 HydrophobicContact CG-CH2 3.6Å; Q325-W521 HydrophobicContact CG-CZ3 3.71Å; I328-W521 HydrophobicContact CD1-CD2 4.06Å; I328-W521 HydrophobicContact CD1-CE3 4.05Å; I328-W521 HydrophobicContact CD1-CH2 3.9Å; I328-W521 HydrophobicContact CD1-CZ2 3.89Å; I328-W521 HydrophobicContact CD1-CZ3 3.97Å; I328-W521 HydrophobicContact CG1-CH2 4.49Å; I328-W521 HydrophobicContact CG1-CZ2 4.24Å; I328-W521 HydrophobicContact CG2-CZ2 3.9Å; I379-W521 HydrophobicContact CD1-CB 3.6Å; I379-W521 HydrophobicContact CD1-CD2 4.36Å; I379-W521 HydrophobicContact CD1-CG 3.68Å; F512-W521 VanDerWaalsContact CA-O 3.3Å; F512-W521 WeakPolarHBondContact CA-O 3.42Å; M513-W521 PolarHBondContact N-O 2.7Å; M513-W521 PolarHBondContact O-N 3.23Å; D515-W521 PolarHBondContact OD2-NE1 3.11Å; W521-I523 HydrophobicContact CB-CD1 4.44Å; W521-I523 WeakPolarHBondContact O-CD1 3.42Å; W521-I523 WeakPolarHBondContact O-CG1 3.46Å; W521-I523 PolarHBondContact O-N 3.28Å
522	L	98.7	Very high	95.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	125.2	176.5	-179.8	63.5	0	0	0	109.9	L164 F182 F183 P184 A486 A490 A510 F512 I525	L164-L522 HydrophobicContact CD1-CD2 4.41Å; L164-L522 HydrophobicContact CD2-CD2 4.17Å; L164-L522 HydrophobicContact CD2-CG 4.46Å; F182-L522 PolarHBondContact O-N 3.23Å; F183-L522 HydrophobicContact CD2-CB 4.39Å; F183-L522 HydrophobicContact CD2-CG 4.49Å; F183-L522 WeakPolarHBondContact CD2-O 3.42Å; P184-L522 WeakPolarHBondContact CD-O 3.49Å; A486-L522 HydrophobicContact CB-CB 4.33Å; A490-L522 HydrophobicContact CB-CD2 4.17Å; A510-L522 HydrophobicContact CB-CD1 4.07Å; F512-L522 HydrophobicContact CD1-CB 4.16Å; F512-L522 HydrophobicContact CD1-CD1 4.43Å; F512-L522 HydrophobicContact CE1-CB 3.74Å; F512-L522 HydrophobicContact CE1-CD1 3.91Å; F512-L522 HydrophobicContact CE1-CG 4.41Å; F512-L522 HydrophobicContact CE2-CD1 4.21Å; F512-L522 HydrophobicContact CZ-CB 4.42Å; F512-L522 HydrophobicContact CZ-CD1 3.78Å; L522-I525 HydrophobicContact CD1-CG1 4.01Å; L522-I525 HydrophobicContact CD2-CD1 4.24Å; L522-I525 HydrophobicContact CD2-CG1 4.43Å
523	I	96.7	Very high	94.8	Very high	24 Å²	24	34 Å²	34	12%	0.123	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-49	-178.5	-52.6	-53.9	0	0	0	111	K161 P184 I379 D511 M513 W521	K161-I523 WeakPolarHBondContact CD-O 3.13Å; K161-I523 WeakPolarHBondContact CE-O 3.43Å; P184-I523 HydrophobicContact CG-CD1 4.24Å; I379-I523 HydrophobicContact CD1-CD1 4.33Å; D511-I523 HydrophobicContact CB-CB 4.49Å; D511-I523 WeakPolarHBondContact O-CB 3.45Å; D511-I523 PolarHBondContact O-N 3.2Å; M513-I523 HydrophobicContact CB-CD1 4.29Å; M513-I523 HydrophobicContact CB-CG1 4.39Å; M513-I523 HydrophobicContact CE-CD1 4.22Å; M513-I523 HydrophobicContact CG-CD1 4.21Å; M513-I523 HydrophobicContact CG-CG1 3.99Å; W521-I523 HydrophobicContact CB-CD1 4.44Å; W521-I523 WeakPolarHBondContact O-CD1 3.42Å; W521-I523 WeakPolarHBondContact O-CG1 3.46Å; W521-I523 PolarHBondContact O-N 3.28Å
524	E	94.5	Very high	94.4	Very high	33 Å²	33	36.2 Å²	36.2	15%	0.154	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	161.1	178.2	60.2	177.5	-143.3	0	0	111.9	A510 D511 N526	A510-E524 WeakPolarHBondContact CA-O 3.46Å; D511-E524 HydrophobicContact CB-CG 3.82Å; D511-E524 PolarHBondContact N-O 2.84Å; E524-N526 PolarHBondContact OE1-ND2 3.08Å
525	I	95.9	Very high	94.2	Very high	2 Å²	2	37 Å²	37	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	129.5	168.5	-61.7	176.2	0	0	0	107.3	F158 T159 L164 F396 A490 Y508 G509 A510 L522	F158-I525 HydrophobicContact CD2-CB 4.37Å; F158-I525 HydrophobicContact CD2-CD1 3.98Å; F158-I525 HydrophobicContact CD2-CG2 4Å; F158-I525 HydrophobicContact CE2-CG2 4.03Å; T159-I525 CarbonylContact C-O 3.51Å; T159-I525 VanDerWaalsContact CA-O 3.24Å; T159-I525 WeakPolarHBondContact CA-O 3.47Å; T159-I525 HydrophobicContact CG2-CG2 4.25Å; L164-I525 HydrophobicContact CD1-CD1 4.44Å; F396-I525 HydrophobicContact CE1-CG2 3.98Å; F396-I525 HydrophobicContact CZ-CD1 4.35Å; F396-I525 HydrophobicContact CZ-CG2 3.8Å; A490-I525 HydrophobicContact CB-CD1 3.68Å; Y508-I525 HydrophobicContact CD1-CG2 4.26Å; Y508-I525 HydrophobicContact CG-CG2 4.46Å; G509-I525 CarbonylContact O-C 3.59Å; G509-I525 WeakPolarHBondContact O-CA 3.31Å; A510-I525 HydrophobicContact CB-CG1 4.27Å; L522-I525 HydrophobicContact CD1-CG1 4.01Å; L522-I525 HydrophobicContact CD2-CD1 4.24Å; L522-I525 HydrophobicContact CD2-CG1 4.43Å
526	N	92.8	Very high	94.2	Very high	27 Å²	27	40.2 Å²	40.2	14%	0.144	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	125	177.7	-47.2	124	0	0	0	109.9	R393 Y508 G509 E524	R393-N526 PolarHBondContact NH2-OD1 3.21Å; Y508-N526 WeakPolarHBondContact CA-O 3.3Å; G509-N526 PolarHBondContact N-O 3.34Å; G509-N526 PolarHBondContact O-N 2.89Å; E524-N526 PolarHBondContact OE1-ND2 3.08Å
527	A	91	Very high	94.3	Very high	29 Å²	29	35.5 Å²	35.5	24%	0.24	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	148.2	158.6	0	0	0	0	0	109.8	A155 T159 E506 Y508	A155-A527 HydrophobicContact CB-CB 4.49Å; T159-A527 HydrophobicContact CG2-CB 4.05Å; E506-A527 WeakPolarHBondContact OE1-CB 3.43Å; Y508-A527 HydrophobicContact CD1-CB 4.36Å; Y508-A527 HydrophobicContact CE1-CB 4.2Å
528	S	88.3	Confident	94.3	Very high	45 Å²	45	31.2 Å²	31.2	32%	0.315	20%	0.198	S	C	.	.	S	Bend	trans	50.4	57.7	177.5	-54.1	0	0	0	0	112.9	H151	H151-S528 PolarHBondContact CE1-OG 2.91Å
529	P	91.6	Very high	94.3	Very high	8 Å²	8	32.7 Å²	32.7	5%	0.052	21%	0.21	C	C	.	.			trans	-56.3	144.7	178.4	24.9	-32.7	0	0	0	110.3	L507 M531	L507-P529 HydrophobicContact CG-CG 4.35Å; L507-P529 WeakPolarHBondContact O-CD 3.35Å; P529-M531 HydrophobicContact CB-CE 4.22Å; P529-M531 HydrophobicContact CG-CE 3.67Å; P529-M531 WeakPolarHBondContact O-CE 3.2Å; P529-M531 PolarHBondContact O-N 3.14Å
530	T	89.3	Confident	94.3	Very high	84 Å²	84	35.6 Å²	35.6	52%	0.515	22%	0.224	S	C	.	.			trans	-59.7	132.3	-179.5	-174.4	0	0	0	0	111.1	A532	T530-A532 PolarHBondContact OG1-N 3.36Å
531	M	93.5	Very high	94.3	Very high	23 Å²	23	35.9 Å²	35.9	11%	0.113	23%	0.225	C	C	.	.			trans	-107.5	13.6	175	-63.7	-63.7	147.9	0	0	112	Y63 L507 P529 C542 V545 Q546	Y63-M531 HydrophobicContact CE1-CB 4.18Å; Y63-M531 HydrophobicContact CE1-CG 4.21Å; L507-M531 HydrophobicContact CD2-CE 3.45Å; L507-M531 VanDerWaalsContact CD2-CE 3.45Å; L507-M531 HydrophobicContact CG-CE 4.39Å; P529-M531 HydrophobicContact CB-CE 4.22Å; P529-M531 HydrophobicContact CG-CE 3.67Å; P529-M531 WeakPolarHBondContact O-CE 3.2Å; P529-M531 PolarHBondContact O-N 3.14Å; M531-C542 HydrophobicContact CB-CB 4.43Å; M531-C542 HydrophobicContact SD-CB 3.99Å; M531-V545 HydrophobicContact CE-CG1 4.39Å; M531-V545 HydrophobicContact SD-CG1 3.98Å; M531-Q546 HydrophobicContact CG-CG 4.37Å; M531-Q546 HydrophobicContact SD-CG 4.15Å
532	A	89.6	Confident	94.2	Very high	47 Å²	47	35.8 Å²	35.8	39%	0.388	23%	0.225	S	C	.	.			trans	-68.3	135.6	180	0	0	0	0	0	110.5	T530 S534	T530-A532 PolarHBondContact OG1-N 3.36Å; A532-S534 PolarHBondContact O-N 3.07Å
533	P	92.6	Very high	94.2	Very high	96 Å²	96	39 Å²	39	62%	0.623	25%	0.245	S	C	*	.			trans	-77.8	60.3	177.1	34.2	-36.5	0	0	0	110.8	T535 A539	P533-T535 PolarHBondContact O-N 3.4Å; P533-A539 HydrophobicContact CB-CB 3.64Å
534	S	90.4	Very high	94.3	Very high	62 Å²	62	39.5 Å²	39.5	43%	0.434	25%	0.252	S	S	.	.			trans	-67.8	-20.9	-173.4	60.2	0	0	0	0	114.6	N435 A532 T538	N435-S534 PolarHBondContact ND2-OG 2.93Å; A532-S534 PolarHBondContact O-N 3.07Å; S534-T538 PolarHBondContact N-OG1 3.05Å; S534-T538 VanDerWaalsContact N-OG1 3.09Å; S534-T538 PolarHBondContact OG-OG1 2.83Å
535	T	94.1	Very high	94.4	Very high	19 Å²	19	37.9 Å²	37.9	12%	0.117	25%	0.245	C	C	.	.	S	Bend	trans	-147.2	165.7	-179.1	62.3	0	0	0	0	108.4	H454 M456 P533 V537 T538 A539	H454-T535 HydrophobicContact CB-CG2 3.92Å; M456-T535 HydrophobicContact CE-CG2 3.99Å; M456-T535 HydrophobicContact CG-CG2 4.41Å; M456-T535 HydrophobicContact SD-CG2 3.69Å; M456-T535 PolarHBondContact SD-OG1 2.99Å; P533-T535 PolarHBondContact O-N 3.4Å; T535-V537 PolarHBondContact O-N 3.43Å; T535-T538 PolarHBondContact N-OG1 2.94Å; T535-T538 PolarHBondContact O-N 2.92Å; T535-T538 PolarHBondContact O-OG1 2.82Å; T535-T538 PolarHBondContact OG1-N 2.93Å; T535-T538 VanDerWaalsContact OG1-N 3.16Å; T535-T538 PolarHBondContact OG1-OG1 2.84Å; T535-A539 VanDerWaalsContact O-CB 3.31Å; T535-A539 WeakPolarHBondContact O-CB 3.16Å; T535-A539 PolarHBondContact O-N 2.94Å
536	C	95.5	Very high	94.6	Very high	85 Å²	85	38.1 Å²	38.1	57%	0.574	25%	0.246	S	C	*	.	H	α-helix	trans	-55.4	-39.7	173.1	55.4	0	0	0	0	112.4	A539 Q540	C536-A539 PolarHBondContact O-N 3.15Å; C536-Q540 WeakPolarHBondContact O-CB 3.29Å; C536-Q540 PolarHBondContact O-N 3.3Å
537	V	97.3	Very high	94.8	Very high	6 Å²	6	38.6 Å²	38.6	4%	0.036	25%	0.247	C	C	.	.	H	α-helix	trans	-59	-52.2	176.5	175.3	0	0	0	0	111.3	Y413 M456 L458 T535 Q540 L541	Y413-V537 HydrophobicContact CG-CG1 4.28Å; M456-V537 HydrophobicContact CB-CB 4.22Å; M456-V537 HydrophobicContact CB-CG1 4.36Å; M456-V537 HydrophobicContact CB-CG2 4.14Å; L458-V537 HydrophobicContact CD2-CG1 3.84Å; L458-V537 HydrophobicContact CG-CG1 4.27Å; L458-V537 HydrophobicContact CG-CG2 4.41Å; T535-V537 PolarHBondContact O-N 3.43Å; V537-Q540 PolarHBondContact O-N 3.49Å; V537-L541 HydrophobicContact CG1-CD1 4.27Å; V537-L541 WeakPolarHBondContact O-CB 3.28Å; V537-L541 PolarHBondContact O-N 3.42Å
538	T	96.6	Very high	95.2	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.012	24%	0.237	C	C	.	.	H	α-helix	trans	-72.3	-33	-179.5	47.7	0	0	0	0	112.3	Y413 M456 S534 T535 Q540 C542	Y413-T538 HydrophobicContact CE1-CG2 4.24Å; Y413-T538 HydrophobicContact CE2-CG2 4.07Å; M456-T538 HydrophobicContact CE-CG2 4.26Å; M456-T538 HydrophobicContact SD-CG2 3.72Å; S534-T538 PolarHBondContact N-OG1 3.05Å; S534-T538 VanDerWaalsContact N-OG1 3.09Å; S534-T538 PolarHBondContact OG-OG1 2.83Å; T535-T538 PolarHBondContact N-OG1 2.94Å; T535-T538 PolarHBondContact O-N 2.92Å; T535-T538 PolarHBondContact O-OG1 2.82Å; T535-T538 PolarHBondContact OG1-N 2.93Å; T535-T538 VanDerWaalsContact OG1-N 3.16Å; T535-T538 PolarHBondContact OG1-OG1 2.84Å; T538-Q540 VanDerWaalsContact C-N 3.34Å; T538-Q540 PolarHBondContact O-N 3.43Å; T538-C542 WeakPolarHBondContact O-CA 3.39Å; T538-C542 WeakPolarHBondContact O-CB 3.37Å; T538-C542 PolarHBondContact O-N 3.23Å; T538-C542 PolarHBondContact O-SG 3.31Å
539	A	96.9	Very high	95.7	Very high	33 Å²	33	35.3 Å²	35.3	27%	0.273	22%	0.222	S	C	.	.	H	α-helix	trans	-59.7	-45	173.9	0	0	0	0	0	111.8	P533 T535 C536 T543	P533-A539 HydrophobicContact CB-CB 3.64Å; T535-A539 VanDerWaalsContact O-CB 3.31Å; T535-A539 WeakPolarHBondContact O-CB 3.16Å; T535-A539 PolarHBondContact O-N 2.94Å; C536-A539 PolarHBondContact O-N 3.15Å; A539-T543 VanDerWaalsContact O-CB 3.3Å; A539-T543 WeakPolarHBondContact O-CB 3.36Å; A539-T543 PolarHBondContact O-N 2.77Å; A539-T543 PolarHBondContact O-OG1 3.19Å
540	Q	97.6	Very high	96	Very high	119 Å²	119	35 Å²	35	56%	0.556	22%	0.22	S	C	*	.	H	α-helix	trans	-66.9	-57.9	176.3	179.6	-178	-19.1	0	0	111.6	C536 V537 T538 T543 A544	C536-Q540 WeakPolarHBondContact O-CB 3.29Å; C536-Q540 PolarHBondContact O-N 3.3Å; V537-Q540 PolarHBondContact O-N 3.49Å; T538-Q540 VanDerWaalsContact C-N 3.34Å; T538-Q540 PolarHBondContact O-N 3.43Å; Q540-T543 PolarHBondContact O-N 2.98Å; Q540-A544 PolarHBondContact O-N 3.14Å; Q540-A544 VanDerWaalsContact O-N 3.1Å
541	L	98.2	Very high	96.4	Very high	6 Å²	6	34.5 Å²	34.5	3%	0.031	21%	0.208	C	C	.	.	H	α-helix	trans	-71.8	-39.4	-170.6	-70.3	-174.9	0	0	0	113.4	W395 K411 Y413 L458 V537 T543 A544 V545	W395-L541 HydrophobicContact CH2-CB 3.64Å; W395-L541 HydrophobicContact CH2-CD1 4.42Å; W395-L541 HydrophobicContact CZ3-CB 3.71Å; W395-L541 HydrophobicContact CZ3-CD1 4.11Å; W395-L541 HydrophobicContact CZ3-CG 4.5Å; K411-L541 HydrophobicContact CB-CD2 4.01Å; Y413-L541 HydrophobicContact CD1-CD1 4.06Å; Y413-L541 HydrophobicContact CG-CD1 4.46Å; L458-L541 HydrophobicContact CD2-CD1 3.62Å; L458-L541 HydrophobicContact CD2-CD2 3.96Å; L458-L541 HydrophobicContact CD2-CG 3.68Å; V537-L541 HydrophobicContact CG1-CD1 4.27Å; V537-L541 WeakPolarHBondContact O-CB 3.28Å; V537-L541 PolarHBondContact O-N 3.42Å; L541-T543 PolarHBondContact O-N 3.47Å; L541-A544 PolarHBondContact O-N 3.33Å; L541-V545 WeakPolarHBondContact O-CG1 3.21Å; L541-V545 PolarHBondContact O-N 3.45Å
542	C	97.8	Very high	96.7	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.014	21%	0.206	C	C	.	.	H	α-helix	trans	-64.8	-33.3	176.8	-63.8	0	0	0	0	110.9	M531 T538 Q546	M531-C542 HydrophobicContact CB-CB 4.43Å; M531-C542 HydrophobicContact SD-CB 3.99Å; T538-C542 WeakPolarHBondContact O-CA 3.39Å; T538-C542 WeakPolarHBondContact O-CB 3.37Å; T538-C542 PolarHBondContact O-N 3.23Å; T538-C542 PolarHBondContact O-SG 3.31Å; C542-Q546 WeakPolarHBondContact O-CB 3.5Å; C542-Q546 WeakPolarHBondContact O-CG 3.46Å; C542-Q546 PolarHBondContact O-N 2.84Å; C542-Q546 PolarHBondContact O-NE2 3.4Å
543	T	97.6	Very high	97	Very high	67 Å²	67	32.5 Å²	32.5	41%	0.411	19%	0.193	S	C	.	.	H	α-helix	trans	-65.7	-48.7	174.2	-61.3	0	0	0	0	110.7	V65 A539 Q540 L541 Q546 E547	V65-T543 HydrophobicContact CG1-CG2 3.93Å; V65-T543 HydrophobicContact CG2-CG2 3.92Å; A539-T543 VanDerWaalsContact O-CB 3.3Å; A539-T543 WeakPolarHBondContact O-CB 3.36Å; A539-T543 PolarHBondContact O-N 2.77Å; A539-T543 PolarHBondContact O-OG1 3.19Å; Q540-T543 PolarHBondContact O-N 2.98Å; L541-T543 PolarHBondContact O-N 3.47Å; T543-Q546 PolarHBondContact O-N 2.86Å; T543-E547 PolarHBondContact O-N 2.91Å
544	A	98.3	Very high	97.2	Very high	34 Å²	34	28.4 Å²	28.4	28%	0.281	17%	0.166	S	C	.	.	H	α-helix	trans	-61.5	-49.4	179.7	0	0	0	0	0	112.5	Y409 Q540 L541 Q546 E547 D548	Y409-A544 VanDerWaalsContact OH-C 3.26Å; Y409-A544 WeakPolarHBondContact OH-CB 3.32Å; Q540-A544 PolarHBondContact O-N 3.14Å; Q540-A544 VanDerWaalsContact O-N 3.1Å; L541-A544 PolarHBondContact O-N 3.33Å; A544-Q546 VanDerWaalsContact C-N 3.29Å; A544-Q546 PolarHBondContact O-N 3.19Å; A544-E547 PolarHBondContact O-N 3.26Å; A544-D548 WeakPolarHBondContact O-CB 3.26Å; A544-D548 PolarHBondContact O-N 2.98Å
545	V	98.6	Very high	97.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-65.9	-31.5	-176.8	72.5	0	0	0	0	112.7	W395 Y409 L507 M531 L541 T549 F567	W395-V545 HydrophobicContact CB-CG2 4.32Å; W395-V545 HydrophobicContact CD2-CG1 4.39Å; W395-V545 HydrophobicContact CD2-CG2 4.29Å; W395-V545 HydrophobicContact CE3-CB 4.39Å; W395-V545 HydrophobicContact CE3-CG1 4.45Å; W395-V545 HydrophobicContact CE3-CG2 4.33Å; W395-V545 HydrophobicContact CG-CG2 4.33Å; W395-V545 HydrophobicContact CH2-CG1 4.4Å; W395-V545 HydrophobicContact CZ2-CG1 4.33Å; W395-V545 HydrophobicContact CZ3-CG1 4.48Å; Y409-V545 HydrophobicContact CD1-CB 4.3Å; Y409-V545 HydrophobicContact CD1-CG2 4.07Å; Y409-V545 HydrophobicContact CD2-CB 4.45Å; Y409-V545 HydrophobicContact CD2-CG2 3.81Å; Y409-V545 HydrophobicContact CE1-CB 3.85Å; Y409-V545 HydrophobicContact CE1-CG2 4.09Å; Y409-V545 HydrophobicContact CE2-CB 3.99Å; Y409-V545 HydrophobicContact CE2-CG2 3.8Å; Y409-V545 HydrophobicContact CG-CG2 3.94Å; Y409-V545 WeakPolarHBondContact OH-CA 3.45Å; Y409-V545 PolarHBondContact OH-N 2.71Å; L507-V545 HydrophobicContact CD1-CG2 4.24Å; L507-V545 HydrophobicContact CD2-CG2 4.26Å; M531-V545 HydrophobicContact CE-CG1 4.39Å; M531-V545 HydrophobicContact SD-CG1 3.98Å; L541-V545 WeakPolarHBondContact O-CG1 3.21Å; L541-V545 PolarHBondContact O-N 3.45Å; V545-T549 WeakPolarHBondContact O-CB 3.48Å; V545-T549 PolarHBondContact O-N 3.15Å; V545-T549 PolarHBondContact O-OG1 3.36Å; V545-F567 HydrophobicContact CG2-CE2 4.1Å; V545-F567 HydrophobicContact CG2-CZ 3.78Å
546	Q	98.4	Very high	97.6	Very high	6 Å²	6	30.1 Å²	30.1	3%	0.028	16%	0.164	C	C	.	.	H	α-helix	trans	-66	-46.8	174	-81.9	175.5	90.2	0	0	111.6	V65 I66 M531 C542 T543 A544 T549 L550	V65-Q546 HydrophobicContact CB-CB 4.32Å; V65-Q546 HydrophobicContact CG1-CB 3.85Å; I66-Q546 HydrophobicContact CD1-CB 3.66Å; I66-Q546 HydrophobicContact CD1-CG 4.06Å; I66-Q546 WeakPolarHBondContact CD1-O 3.09Å; I66-Q546 HydrophobicContact CG1-CB 4.29Å; I66-Q546 HydrophobicContact CG1-CG 4.32Å; M531-Q546 HydrophobicContact CG-CG 4.37Å; M531-Q546 HydrophobicContact SD-CG 4.15Å; C542-Q546 WeakPolarHBondContact O-CB 3.5Å; C542-Q546 WeakPolarHBondContact O-CG 3.46Å; C542-Q546 PolarHBondContact O-N 2.84Å; C542-Q546 PolarHBondContact O-NE2 3.4Å; T543-Q546 PolarHBondContact O-N 2.86Å; A544-Q546 VanDerWaalsContact C-N 3.29Å; A544-Q546 PolarHBondContact O-N 3.19Å; Q546-T549 PolarHBondContact O-N 3.35Å; Q546-L550 PolarHBondContact O-N 3.49Å
547	E	98.2	Very high	97.3	Very high	38 Å²	38	32.8 Å²	32.8	18%	0.178	16%	0.162	C	C	.	.	H	α-helix	trans	-62.8	-46.4	175.5	178.1	65.8	-152.4	0	0	111.2	A69 R73 T543 A544 T549 L550 R551	A69-E547 WeakPolarHBondContact CB-OE2 3.28Å; R73-E547 IonicContact CZ-OE1 2.68Å; R73-E547 VanDerWaalsContact CZ-OE1 3.25Å; R73-E547 IonicContact NH1-OE1 2.58Å; R73-E547 PolarHBondContact NH1-OE1 3.41Å; R73-E547 IonicContact NH1-OE2 3.54Å; R73-E547 IonicContact NH2-OE1 3.23Å; R73-E547 PolarHBondContact NH2-OE1 3.44Å; T543-E547 PolarHBondContact O-N 2.91Å; A544-E547 PolarHBondContact O-N 3.26Å; E547-T549 VanDerWaalsContact C-N 3.29Å; E547-T549 PolarHBondContact O-N 2.95Å; E547-L550 WeakPolarHBondContact O-CB 3.38Å; E547-L550 PolarHBondContact O-N 3.03Å; E547-R551 VanDerWaalsContact CG-CZ 3.48Å; E547-R551 VanDerWaalsContact CG-NH1 3.33Å; E547-R551 PolarHBondContact O-N 2.78Å; E547-R551 VanDerWaalsContact O-N 3.09Å; E547-R551 IonicContact OE1-CZ 2.85Å; E547-R551 IonicContact OE1-NH2 2.95Å
548	D	98.7	Very high	97.1	Very high	5 Å²	5	39 Å²	39	3%	0.027	20%	0.199	C	C	.	.	H	α-helix	trans	-65.7	-31.7	-179.8	-75	-6.1	0	0	0	112.7	Y409 A544 L550 R551 V552 G565 D566 F567	Y409-D548 HydrophobicContact CE2-CB 3.76Å; Y409-D548 VanDerWaalsContact CE2-OD2 3.3Å; Y409-D548 WeakPolarHBondContact CE2-OD2 3.36Å; Y409-D548 PolarHBondContact OH-OD2 3.45Å; A544-D548 WeakPolarHBondContact O-CB 3.26Å; A544-D548 PolarHBondContact O-N 2.98Å; D548-L550 VanDerWaalsContact C-N 3.29Å; D548-L550 PolarHBondContact O-N 2.82Å; D548-R551 WeakPolarHBondContact O-CB 3.2Å; D548-R551 PolarHBondContact O-N 2.68Å; D548-R551 IonicContact OD1-CZ 3.32Å; D548-R551 IonicContact OD1-NH1 2.75Å; D548-R551 PolarHBondContact OD1-NH1 3.39Å; D548-V552 WeakPolarHBondContact O-CG2 3.37Å; D548-V552 PolarHBondContact O-N 3.33Å; D548-G565 WeakPolarHBondContact OD1-CA 3.4Å; D548-G565 WeakPolarHBondContact OD2-CA 3.38Å; D548-D566 PolarHBondContact OD2-N 3.38Å; D548-F567 HydrophobicContact CB-CD2 3.77Å; D548-F567 HydrophobicContact CB-CE2 3.98Å
549	T	98.6	Very high	97	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.2	-44	172	-62.2	0	0	0	0	110.1	W131 L397 F505 V545 Q546 E547 R551 V552 V553	W131-T549 HydrophobicContact CH2-CG2 3.92Å; W131-T549 HydrophobicContact CZ3-CG2 4.06Å; L397-T549 HydrophobicContact CD1-CG2 4.08Å; L397-T549 HydrophobicContact CD2-CG2 4.23Å; F505-T549 HydrophobicContact CD2-CG2 4.18Å; F505-T549 HydrophobicContact CE2-CG2 3.69Å; F505-T549 HydrophobicContact CZ-CG2 4.44Å; V545-T549 WeakPolarHBondContact O-CB 3.48Å; V545-T549 PolarHBondContact O-N 3.15Å; V545-T549 PolarHBondContact O-OG1 3.36Å; Q546-T549 PolarHBondContact O-N 3.35Å; E547-T549 VanDerWaalsContact C-N 3.29Å; E547-T549 PolarHBondContact O-N 2.95Å; T549-R551 VanDerWaalsContact C-N 3.31Å; T549-R551 PolarHBondContact O-N 2.87Å; T549-V552 PolarHBondContact O-N 3.4Å; T549-V553 HydrophobicContact CG2-CG1 4.47Å; T549-V553 WeakPolarHBondContact O-CG1 3.35Å; T549-V553 WeakPolarHBondContact O-CG2 3.34Å; T549-V553 PolarHBondContact O-N 3.07Å
550	L	98.4	Very high	96.8	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-64.7	-35.7	176.4	-63.4	176.1	0	0	0	112.1	I66 A69 L70 F129 W131 Q546 E547 D548 V552 V553 L554 D555	I66-L550 HydrophobicContact CD1-CD1 3.93Å; I66-L550 HydrophobicContact CD1-CD2 4.39Å; I66-L550 HydrophobicContact CD1-CG 4.04Å; I66-L550 HydrophobicContact CG2-CD1 4.34Å; A69-L550 HydrophobicContact CB-CD1 3.32Å; L70-L550 HydrophobicContact CD2-CD1 4.38Å; L70-L550 HydrophobicContact CD2-CD2 4.18Å; L70-L550 HydrophobicContact CG-CD1 4.15Å; F129-L550 HydrophobicContact CE1-CD2 4.07Å; F129-L550 HydrophobicContact CE2-CD2 4.2Å; F129-L550 HydrophobicContact CZ-CD2 3.47Å; F129-L550 VanDerWaalsContact CZ-CD2 3.47Å; W131-L550 HydrophobicContact CE3-CD2 4.44Å; W131-L550 HydrophobicContact CZ3-CD2 4.13Å; Q546-L550 PolarHBondContact O-N 3.49Å; E547-L550 WeakPolarHBondContact O-CB 3.38Å; E547-L550 PolarHBondContact O-N 3.03Å; D548-L550 VanDerWaalsContact C-N 3.29Å; D548-L550 PolarHBondContact O-N 2.82Å; L550-V552 VanDerWaalsContact C-N 3.33Å; L550-V552 PolarHBondContact O-N 2.96Å; L550-V553 HydrophobicContact CD2-CG2 4.5Å; L550-V553 PolarHBondContact O-N 3.32Å; L550-L554 HydrophobicContact CB-CD1 4.47Å; L550-L554 HydrophobicContact CD2-CD1 4.05Å; L550-L554 WeakPolarHBondContact O-CA 3.44Å; L550-L554 VanDerWaalsContact O-CB 3.26Å; L550-L554 WeakPolarHBondContact O-CB 3.46Å; L550-L554 PolarHBondContact O-N 3.01Å; L550-D555 PolarHBondContact O-N 3.05Å
551	R	98.3	Very high	96.6	Very high	74 Å²	74	49.6 Å²	49.6	28%	0.279	25%	0.247	S	C	.	.	I	π-helix	trans	-58.7	-44.8	172.7	-66.6	-178.7	172.5	115.8	9.9	112.2	E547 D548 T549 D555 R556 N563	E547-R551 VanDerWaalsContact CG-CZ 3.48Å; E547-R551 VanDerWaalsContact CG-NH1 3.33Å; E547-R551 PolarHBondContact O-N 2.78Å; E547-R551 VanDerWaalsContact O-N 3.09Å; E547-R551 IonicContact OE1-CZ 2.85Å; E547-R551 IonicContact OE1-NH2 2.95Å; D548-R551 WeakPolarHBondContact O-CB 3.2Å; D548-R551 PolarHBondContact O-N 2.68Å; D548-R551 IonicContact OD1-CZ 3.32Å; D548-R551 IonicContact OD1-NH1 2.75Å; D548-R551 PolarHBondContact OD1-NH1 3.39Å; T549-R551 VanDerWaalsContact C-N 3.31Å; T549-R551 PolarHBondContact O-N 2.87Å; R551-D555 WeakPolarHBondContact CA-OD2 3.25Å; R551-D555 WeakPolarHBondContact CG-OD2 3.34Å; R551-D555 WeakPolarHBondContact O-CB 3.44Å; R551-D555 PolarHBondContact O-N 3.28Å; R551-R556 PolarHBondContact O-N 3.45Å; R551-N563 WeakPolarHBondContact CB-O 3.5Å
552	V	98.1	Very high	96.5	Very high	10 Å²	10	50.2 Å²	50.2	6%	0.061	25%	0.254	C	S	.	.	I	π-helix	trans	-68.5	-43	179.1	176.1	0	0	0	0	112.2	L397 T399 W407 D548 T549 L550 R556 T564 F567	L397-V552 HydrophobicContact CD2-CB 3.89Å; L397-V552 HydrophobicContact CD2-CG1 3.71Å; L397-V552 HydrophobicContact CD2-CG2 4.36Å; T399-V552 HydrophobicContact CG2-CG1 3.94Å; W407-V552 HydrophobicContact CD2-CG1 3.83Å; W407-V552 HydrophobicContact CD2-CG2 4.46Å; W407-V552 HydrophobicContact CE3-CG1 4.36Å; W407-V552 HydrophobicContact CE3-CG2 4.34Å; W407-V552 HydrophobicContact CG-CG1 4.18Å; W407-V552 HydrophobicContact CH2-CG1 4.45Å; W407-V552 HydrophobicContact CZ2-CG1 3.92Å; D548-V552 WeakPolarHBondContact O-CG2 3.37Å; D548-V552 PolarHBondContact O-N 3.33Å; T549-V552 PolarHBondContact O-N 3.4Å; L550-V552 VanDerWaalsContact C-N 3.33Å; L550-V552 PolarHBondContact O-N 2.96Å; V552-R556 WeakPolarHBondContact O-CB 3.44Å; V552-T564 HydrophobicContact CG2-CG2 3.98Å; V552-F567 HydrophobicContact CG2-CB 3.77Å; V552-F567 HydrophobicContact CG2-CD2 3.76Å; V552-F567 HydrophobicContact CG2-CG 3.97Å
553	V	97.3	Very high	96.4	Very high	18 Å²	18	55.6 Å²	55.6	11%	0.109	28%	0.282	C	S	.	.	I	π-helix	trans	-92.4	-20	-170.3	-52.8	0	0	0	0	114	F129 L397 T399 F505 T549 L550	F129-V553 HydrophobicContact CE2-CG2 4.13Å; L397-V553 HydrophobicContact CD2-CG1 4.25Å; T399-V553 HydrophobicContact CG2-CG1 4.24Å; F505-V553 HydrophobicContact CB-CG1 4.11Å; F505-V553 HydrophobicContact CD1-CB 3.97Å; F505-V553 HydrophobicContact CD1-CG1 3.67Å; F505-V553 HydrophobicContact CD1-CG2 4.22Å; F505-V553 HydrophobicContact CD2-CG1 3.99Å; F505-V553 HydrophobicContact CE1-CB 3.99Å; F505-V553 HydrophobicContact CE1-CG1 4Å; F505-V553 HydrophobicContact CE1-CG2 3.72Å; F505-V553 HydrophobicContact CE2-CG1 4.29Å; F505-V553 HydrophobicContact CG-CB 4.46Å; F505-V553 HydrophobicContact CG-CG1 3.66Å; F505-V553 HydrophobicContact CZ-CB 4.49Å; F505-V553 HydrophobicContact CZ-CG1 4.3Å; F505-V553 HydrophobicContact CZ-CG2 3.91Å; T549-V553 HydrophobicContact CG2-CG1 4.47Å; T549-V553 WeakPolarHBondContact O-CG1 3.35Å; T549-V553 WeakPolarHBondContact O-CG2 3.34Å; T549-V553 PolarHBondContact O-N 3.07Å; L550-V553 HydrophobicContact CD2-CG2 4.5Å; L550-V553 PolarHBondContact O-N 3.32Å
554	L	96.8	Very high	96.4	Very high	11 Å²	11	53.6 Å²	53.6	6%	0.058	27%	0.27	C	S	.	.	I	π-helix	trans	-113.7	-58.8	178.7	-58.1	-179.5	0	0	0	112.1	L70 W75 F129 I148 L550 R556 R557 V558	L70-L554 HydrophobicContact CD2-CD1 3.48Å; L70-L554 VanDerWaalsContact CD2-CD1 3.48Å; W75-L554 HydrophobicContact CH2-CD2 4.33Å; W75-L554 HydrophobicContact CZ2-CD1 4.1Å; W75-L554 HydrophobicContact CZ2-CD2 3.89Å; F129-L554 HydrophobicContact CD2-CD1 4.48Å; F129-L554 HydrophobicContact CD2-CD2 3.82Å; F129-L554 HydrophobicContact CE2-CD1 4.28Å; F129-L554 HydrophobicContact CE2-CD2 3.88Å; F129-L554 HydrophobicContact CE2-CG 4.22Å; I148-L554 HydrophobicContact CD1-CD2 3.7Å; L550-L554 HydrophobicContact CB-CD1 4.47Å; L550-L554 HydrophobicContact CD2-CD1 4.05Å; L550-L554 WeakPolarHBondContact O-CA 3.44Å; L550-L554 VanDerWaalsContact O-CB 3.26Å; L550-L554 WeakPolarHBondContact O-CB 3.46Å; L550-L554 PolarHBondContact O-N 3.01Å; L554-R556 PolarHBondContact O-N 3.37Å; L554-R557 VanDerWaalsContact O-CB 3.25Å; L554-R557 WeakPolarHBondContact O-CB 3.5Å; L554-R557 PolarHBondContact O-N 3.48Å; L554-V558 PolarHBondContact O-N 3.47Å
555	D	96.5	Very high	96.4	Very high	44 Å²	44	52.9 Å²	52.9	24%	0.235	27%	0.266	C	S	.	.	I	π-helix	trans	-67.6	-42.7	-168.9	-54.5	-17.8	0	0	0	110.3	R73 L550 R551 R557 V558 D559 A562	R73-D555 IonicContact CZ-OD1 3.64Å; R73-D555 IonicContact CZ-OD2 2.87Å; R73-D555 IonicContact NE-OD1 3.96Å; R73-D555 PolarHBondContact NE-OD1 3.48Å; R73-D555 IonicContact NE-OD2 2.78Å; R73-D555 PolarHBondContact NE-OD2 2.87Å; R73-D555 IonicContact NH2-OD1 2.79Å; R73-D555 IonicContact NH2-OD2 3.25Å; R73-D555 PolarHBondContact NH2-OD2 3.33Å; L550-D555 PolarHBondContact O-N 3.05Å; R551-D555 WeakPolarHBondContact CA-OD2 3.25Å; R551-D555 WeakPolarHBondContact CG-OD2 3.34Å; R551-D555 WeakPolarHBondContact O-CB 3.44Å; R551-D555 PolarHBondContact O-N 3.28Å; D555-R557 PolarHBondContact O-N 2.96Å; D555-V558 PolarHBondContact O-N 2.88Å; D555-D559 PolarHBondContact O-N 3.46Å; D555-A562 HydrophobicContact CB-CB 4.14Å
556	R	95.2	Very high	96.4	Very high	73 Å²	73	55.4 Å²	55.4	28%	0.275	28%	0.279	S	S	.	.	H	α-helix	trans	-65.4	-18.8	173.8	-86.5	-152.9	62.5	98.7	10	115.7	R551 V552 L554 V558 D559 R560 A562 T564	R551-R556 PolarHBondContact O-N 3.45Å; V552-R556 WeakPolarHBondContact O-CB 3.44Å; L554-R556 PolarHBondContact O-N 3.37Å; R556-V558 VanDerWaalsContact C-N 3.34Å; R556-D559 VanDerWaalsContact CA-O 3.28Å; R556-D559 WeakPolarHBondContact CA-O 3.34Å; R556-R560 PolarHBondContact NH1-O 3.13Å; R556-R560 PolarHBondContact NH2-O 3.1Å; R556-A562 HydrophobicContact CG-CB 4.18Å; R556-T564 HydrophobicContact CG-CG2 3.89Å
557	R	90.8	Very high	96.4	Very high	140 Å²	140	55.2 Å²	55.2	53%	0.528	28%	0.278	S	S	.	.	H	α-helix	trans	-73.9	-31.1	173.6	-171	177.6	177	-178.4	-2.4	111	I148 N503 L554 D555	I148-R557 VanDerWaalsContact CD1-NH1 3.29Å; N503-R557 PolarHBondContact OD1-NH1 3.25Å; L554-R557 VanDerWaalsContact O-CB 3.25Å; L554-R557 WeakPolarHBondContact O-CB 3.5Å; L554-R557 PolarHBondContact O-N 3.48Å; D555-R557 PolarHBondContact O-N 2.96Å
558	V	91.6	Very high	96.4	Very high	136 Å²	136	57.2 Å²	57.2	82%	0.824	29%	0.288	S	S	*	.	H	α-helix	trans	-84.1	-47	175.9	-178.2	0	0	0	0	110.6	L554 D555 R556	L554-V558 PolarHBondContact O-N 3.47Å; D555-V558 PolarHBondContact O-N 2.88Å; R556-V558 VanDerWaalsContact C-N 3.34Å
559	D	94.6	Very high	96.4	Very high	78 Å²	78	60.4 Å²	60.4	42%	0.417	30%	0.304	S	S	.	.			trans	-131.4	112.9	-178.2	171.6	15.9	0	0	0	111	D555 R556 S561 A562	D555-D559 PolarHBondContact O-N 3.46Å; R556-D559 VanDerWaalsContact CA-O 3.28Å; R556-D559 WeakPolarHBondContact CA-O 3.34Å; D559-S561 VanDerWaalsContact CG-OG 3.27Å; D559-S561 PolarHBondContact O-N 3.29Å; D559-S561 WeakPolarHBondContact OD1-CB 3.18Å; D559-S561 PolarHBondContact OD1-N 3.4Å; D559-S561 PolarHBondContact OD1-OG 3.33Å; D559-S561 PolarHBondContact OD2-OG 3.4Å; D559-A562 HydrophobicContact CB-CB 4.23Å; D559-A562 WeakPolarHBondContact O-CB 3.49Å; D559-A562 PolarHBondContact O-N 3.17Å; D559-A562 PolarHBondContact OD2-N 3.11Å
560	R	92.8	Very high	96.3	Very high	204 Å²	204	62.1 Å²	62.1	77%	0.77	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-3.8	178.6	-70.9	-172.2	177	-176.6	3	114.1	R556	R556-R560 PolarHBondContact NH1-O 3.13Å; R556-R560 PolarHBondContact NH2-O 3.1Å
561	S	93.6	Very high	96.3	Very high	95 Å²	95	64.6 Å²	64.6	66%	0.664	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.4	-3.6	171.9	71.7	0	0	0	0	113.3	D559	D559-S561 VanDerWaalsContact CG-OG 3.27Å; D559-S561 PolarHBondContact O-N 3.29Å; D559-S561 WeakPolarHBondContact OD1-CB 3.18Å; D559-S561 PolarHBondContact OD1-N 3.4Å; D559-S561 PolarHBondContact OD1-OG 3.33Å; D559-S561 PolarHBondContact OD2-OG 3.4Å
562	A	95.6	Very high	96.2	Very high	20 Å²	20	68.9 Å²	68.9	17%	0.165	34%	0.339	C	S	.	.	S	Bend	trans	-55.9	140.9	-178.7	0	0	0	0	0	112.3	D555 R556 D559 T564	D555-A562 HydrophobicContact CB-CB 4.14Å; R556-A562 HydrophobicContact CG-CB 4.18Å; D559-A562 HydrophobicContact CB-CB 4.23Å; D559-A562 WeakPolarHBondContact O-CB 3.49Å; D559-A562 PolarHBondContact O-N 3.17Å; D559-A562 PolarHBondContact OD2-N 3.11Å; A562-T564 PolarHBondContact O-N 3.28Å
563	N	96.6	Very high	95.8	Very high	115 Å²	115	70.6 Å²	70.6	62%	0.615	35%	0.347	S	S	*	.			trans	-57.6	131.1	176.8	-175.3	-10.3	0	0	0	110.4	R551 G565	R551-N563 WeakPolarHBondContact CB-O 3.5Å; N563-G565 WeakPolarHBondContact OD1-CA 3.49Å; N563-G565 PolarHBondContact OD1-N 3.39Å
564	T	97.6	Very high	95.3	Very high	24 Å²	24	73.5 Å²	73.5	15%	0.147	37%	0.372	C	S	.	.			trans	-98.3	9.2	178.5	50.9	0	0	0	0	113.6	W407 V552 R556 A562 D566 F567	W407-T564 HydrophobicContact CH2-CG2 4.4Å; W407-T564 HydrophobicContact CZ3-CG2 3.87Å; V552-T564 HydrophobicContact CG2-CG2 3.98Å; R556-T564 HydrophobicContact CG-CG2 3.89Å; A562-T564 PolarHBondContact O-N 3.28Å; T564-D566 PolarHBondContact O-N 2.99Å; T564-F567 PolarHBondContact O-N 2.9Å; T564-F567 PolarHBondContact OG1-O 3.09Å
565	G	97.7	Very high	94.5	Very high	19 Å²	19	76.5 Å²	76.5	20%	0.196	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	-126.7	-166.4	0	0	0	0	0	111.1	D548 N563 F567	D548-G565 WeakPolarHBondContact OD1-CA 3.4Å; D548-G565 WeakPolarHBondContact OD2-CA 3.38Å; N563-G565 WeakPolarHBondContact OD1-CA 3.49Å; N563-G565 PolarHBondContact OD1-N 3.39Å; G565-F567 VanDerWaalsContact C-N 3.33Å
566	D	98.4	Very high	93.5	Very high	54 Å²	54	77.3 Å²	77.3	29%	0.289	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-0.4	-180	-76	-36.8	0	0	0	113.7	Y409 K410 K411 D548 T564	Y409-D566 HydrophobicContact CD2-CB 4.08Å; Y409-D566 HydrophobicContact CE1-CB 4.13Å; Y409-D566 HydrophobicContact CE2-CB 3.63Å; K410-D566 HydrophobicContact CB-CB 4.28Å; K410-D566 WeakPolarHBondContact CB-O 3.39Å; K410-D566 WeakPolarHBondContact CG-O 3.2Å; K410-D566 PolarHBondContact N-O 3.14Å; K411-D566 HydrophobicContact CG-CB 4.44Å; K411-D566 WeakPolarHBondContact CG-OD2 3.5Å; D548-D566 PolarHBondContact OD2-N 3.38Å; T564-D566 PolarHBondContact O-N 2.99Å
567	F	98.7	Very high	92.3	Very high	2 Å²	2	82.5 Å²	82.5	1%	0.009	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	132.1	170.3	-81.3	-67.1	0	0	0	111.9	L397 W407 Y409 L507 V545 D548 V552 T564 G565	L397-F567 HydrophobicContact CB-CD1 4.29Å; L397-F567 HydrophobicContact CB-CE1 3.61Å; L397-F567 HydrophobicContact CB-CZ 3.85Å; L397-F567 HydrophobicContact CD2-CE2 4.39Å; L397-F567 HydrophobicContact CD2-CZ 4.33Å; W407-F567 HydrophobicContact CB-CB 4.33Å; W407-F567 HydrophobicContact CB-CD1 3.71Å; W407-F567 HydrophobicContact CB-CE1 4.42Å; W407-F567 HydrophobicContact CB-CG 4.26Å; W407-F567 HydrophobicContact CE3-CB 4.34Å; Y409-F567 AromaticContact CD2-CD1 3.75Å; Y409-F567 HydrophobicContact CD2-CD1 3.75Å; Y409-F567 AromaticContact CD2-CD2 3.73Å; Y409-F567 HydrophobicContact CD2-CD2 3.73Å; Y409-F567 AromaticContact CD2-CE1 3.68Å; Y409-F567 HydrophobicContact CD2-CE1 3.68Å; Y409-F567 AromaticContact CD2-CE2 3.64Å; Y409-F567 HydrophobicContact CD2-CE2 3.64Å; Y409-F567 AromaticContact CD2-CG 3.77Å; Y409-F567 HydrophobicContact CD2-CG 3.77Å; Y409-F567 AromaticContact CD2-CZ 3.61Å; Y409-F567 HydrophobicContact CD2-CZ 3.61Å; Y409-F567 AromaticContact CE2-CD2 3.99Å; Y409-F567 HydrophobicContact CE2-CD2 3.99Å; Y409-F567 AromaticContact CE2-CE2 3.92Å; Y409-F567 HydrophobicContact CE2-CE2 3.92Å; Y409-F567 HydrophobicContact CE2-CG 4.4Å; Y409-F567 HydrophobicContact CE2-CZ 4.29Å; Y409-F567 HydrophobicContact CG-CD1 4.46Å; Y409-F567 HydrophobicContact CG-CE1 4.2Å; Y409-F567 HydrophobicContact CG-CZ 4.33Å; L507-F567 HydrophobicContact CD1-CE1 4.46Å; L507-F567 HydrophobicContact CD1-CZ 3.88Å; V545-F567 HydrophobicContact CG2-CE2 4.1Å; V545-F567 HydrophobicContact CG2-CZ 3.78Å; D548-F567 HydrophobicContact CB-CD2 3.77Å; D548-F567 HydrophobicContact CB-CE2 3.98Å; V552-F567 HydrophobicContact CG2-CB 3.77Å; V552-F567 HydrophobicContact CG2-CD2 3.76Å; V552-F567 HydrophobicContact CG2-CG 3.97Å; T564-F567 PolarHBondContact O-N 2.9Å; T564-F567 PolarHBondContact OG1-O 3.09Å; G565-F567 VanDerWaalsContact C-N 3.33Å
568	Q	98.1	Very high	91.1	Very high	79 Å²	79	81.3 Å²	81.3	37%	0.369	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	129.8	170.6	-177.9	178.5	35.7	0	0	109.6	W407 F408 K410 I570	W407-Q568 CarbonylContact C-O 3.55Å; W407-Q568 VanDerWaalsContact CA-O 3.31Å; W407-Q568 WeakPolarHBondContact CA-O 3.29Å; F408-Q568 PolarHBondContact N-O 3.23Å; F408-Q568 PolarHBondContact O-N 3.47Å; K410-Q568 HydrophobicContact CG-CB 4.39Å; Q568-I570 HydrophobicContact CG-CG2 4.37Å; Q568-I570 PolarHBondContact O-N 2.98Å
569	L	98.1	Very high	89.5	Confident	73 Å²	73	80.1 Å²	80.1	38%	0.382	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	117.6	169.6	-175.9	68.9	0	0	0	109	T405 W407 R572	T405-L569 HydrophobicContact CG2-CD1 3.68Å; W407-L569 HydrophobicContact CD2-CB 4.31Å; W407-L569 HydrophobicContact CD2-CD1 4Å; W407-L569 HydrophobicContact CE3-CB 3.83Å; W407-L569 HydrophobicContact CE3-CD1 4.36Å; W407-L569 HydrophobicContact CG-CD1 4.44Å; W407-L569 HydrophobicContact CH2-CB 4.2Å; W407-L569 HydrophobicContact CH2-CD1 4.41Å; W407-L569 HydrophobicContact CZ2-CD1 4.06Å; W407-L569 HydrophobicContact CZ3-CB 3.77Å; L569-R572 HydrophobicContact CD2-CB 4.38Å
570	I	98.2	Very high	87.5	Confident	36 Å²	36	84.5 Å²	84.5	19%	0.185	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	-21.7	-178.5	57.7	158.2	0	0	0	113.1	V406 F408 K484 I488 Q568	V406-I570 HydrophobicContact CB-CG1 4.21Å; V406-I570 HydrophobicContact CG1-CD1 4.05Å; V406-I570 HydrophobicContact CG1-CG1 4.1Å; V406-I570 WeakPolarHBondContact O-CG1 3.47Å; V406-I570 PolarHBondContact O-N 2.61Å; F408-I570 HydrophobicContact CB-CB 4.31Å; F408-I570 HydrophobicContact CB-CD1 3.79Å; F408-I570 HydrophobicContact CB-CG1 3.92Å; F408-I570 HydrophobicContact CB-CG2 3.45Å; F408-I570 VanDerWaalsContact CB-CG2 3.45Å; F408-I570 HydrophobicContact CD2-CD1 4.03Å; F408-I570 HydrophobicContact CG-CD1 4.31Å; F408-I570 HydrophobicContact CG-CG2 4.33Å; K484-I570 HydrophobicContact CB-CD1 4.17Å; K484-I570 HydrophobicContact CD-CG2 3.88Å; K484-I570 HydrophobicContact CG-CD1 4.17Å; K484-I570 HydrophobicContact CG-CG2 4.14Å; I488-I570 HydrophobicContact CD1-CD1 4.06Å; I488-I570 HydrophobicContact CG1-CD1 4Å; Q568-I570 HydrophobicContact CG-CG2 4.37Å; Q568-I570 PolarHBondContact O-N 2.98Å
571	Y	97.7	Very high	85.6	Confident	52 Å²	52	83.8 Å²	83.8	20%	0.204	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	132.8	-179.3	-170.3	-97.4	0	0	0	110.6	L404 T405 V406 I488 Q573	L404-Y571 HydrophobicContact CB-CD1 4.45Å; L404-Y571 HydrophobicContact CB-CE1 4.16Å; L404-Y571 HydrophobicContact CD2-CD1 4.13Å; L404-Y571 HydrophobicContact CD2-CE1 3.83Å; L404-Y571 HydrophobicContact CG-CD1 4Å; L404-Y571 HydrophobicContact CG-CE1 4Å; T405-Y571 WeakPolarHBondContact CA-O 3.37Å; V406-Y571 HydrophobicContact CG2-CD1 4.3Å; V406-Y571 PolarHBondContact N-O 3.22Å; V406-Y571 PolarHBondContact O-N 2.77Å; I488-Y571 HydrophobicContact CD1-CD2 4.08Å; I488-Y571 HydrophobicContact CD1-CG 4.3Å; I488-Y571 HydrophobicContact CG1-CD2 4.31Å; I488-Y571 HydrophobicContact CG1-CG 4.2Å; I488-Y571 HydrophobicContact CG2-CD2 3.68Å; I488-Y571 HydrophobicContact CG2-CE2 3.85Å; I488-Y571 HydrophobicContact CG2-CG 4.04Å; Y571-Q573 HydrophobicContact CE1-CB 3.99Å
572	R	95.6	Very high	83.8	Confident	163 Å²	163	85.6 Å²	85.6	62%	0.615	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.4	111	169.3	-173.7	174.3	-176.4	-171.3	-1	108.4	P403 L404 T405 L569	P403-R572 HydrophobicContact CB-CG 4.44Å; P403-R572 HydrophobicContact CG-CG 4.33Å; L404-R572 VanDerWaalsContact O-CA 3.28Å; L404-R572 WeakPolarHBondContact O-CA 3.46Å; T405-R572 HydrophobicContact CG2-CG 4.46Å; L569-R572 HydrophobicContact CD2-CB 4.38Å
573	Q	89.9	Confident	81.9	Confident	47 Å²	47	87 Å²	87	22%	0.22	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-70.2	164.9	176	-161.2	172.8	3	0	0	111	P403 L404 Q495 Y571	P403-Q573 HydrophobicContact CB-CB 4.29Å; P403-Q573 WeakPolarHBondContact CB-O 3.46Å; L404-Q573 HydrophobicContact CB-CB 4.43Å; L404-Q573 PolarHBondContact O-N 3.48Å; Q495-Q573 VanDerWaalsContact OE1-OE1 3.12Å; Y571-Q573 HydrophobicContact CE1-CB 3.99Å
574	A	86.6	Confident	79.8	Confident	78 Å²	78	87.8 Å²	87.8	65%	0.645	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-65.2	142.2	160.5	0	0	0	0	0	109.7	V576	A574-V576 PolarHBondContact O-N 2.96Å
575	A	80.7	Confident	77.7	Confident	74 Å²	74	93.5 Å²	93.5	61%	0.612	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-66.3	133.2	173.5	0	0	0	0	0	108.8	P403	P403-A575 HydrophobicContact CG-CB 4.44Å
576	V	76.2	Confident	75.6	Confident	61 Å²	61	99.3 Å²	99.3	37%	0.37	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-103	120.9	173.9	-178.5	0	0	0	0	107	N402 A574 V578	N402-V576 PolarHBondContact ND2-O 3.38Å; N402-V576 PolarHBondContact OD1-N 3.48Å; N402-V576 PolarHBondContact OD1-O 2.98Å; A574-V576 PolarHBondContact O-N 2.96Å; V576-V578 PolarHBondContact O-N 2.92Å; V576-V578 VanDerWaalsContact O-N 3.14Å
577	E	70.2	Confident	73.4	Confident	183 Å²	183	102.2 Å²	102.2	86%	0.855	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-65.4	116.2	168.9	-68.6	-171.6	170.8	0	0	107.9	P579	E577-P579 WeakPolarHBondContact O-CD 3.37Å
578	V	63.8	Low	71	Confident	115 Å²	115	107.1 Å²	107.1	70%	0.697	58%	0.577	S	S	*	*			trans	-78.5	110.6	171.1	-177.4	0	0	0	0	105.4	V576 Q580	V576-V578 PolarHBondContact O-N 2.92Å; V576-V578 VanDerWaalsContact O-N 3.14Å; V578-Q580 PolarHBondContact O-N 3.21Å
579	P	59.4	Low	68.7	Low	110 Å²	110	111.2 Å²	111.2	71%	0.714	60%	0.597	S	S	*	*			trans	-59.5	136.9	177.7	-16.4	30.2	0	0	0	108.1	E577 Y581	E577-P579 WeakPolarHBondContact O-CD 3.37Å; P579-Y581 PolarHBondContact O-N 3.33Å
580	Q	52.2	Low	66.8	Low	170 Å²	170	111 Å²	111	79%	0.794	61%	0.612	S	S	*	*			trans	-60.6	113.5	166.9	-75.3	-179.9	-11.6	0	0	107	V578 L582	V578-Q580 PolarHBondContact O-N 3.21Å; Q580-L582 VanDerWaalsContact C-N 3.34Å; Q580-L582 PolarHBondContact O-N 3.16Å
581	Y	53.6	Low	64.9	Low	189 Å²	189	118.4 Å²	118.4	74%	0.741	64%	0.643	S	S	*	*			trans	-67.3	96.2	177.5	-176.5	-98.1	0	0	0	108.4	P579 G583	P579-Y581 PolarHBondContact O-N 3.33Å; Y581-G583 PolarHBondContact O-N 3.12Å
582	L	54.7	Low	63.1	Low	134 Å²	134	120.8 Å²	120.8	70%	0.702	67%	0.673	S	S	*	*			trans	-84.3	15.1	179.2	-70.7	169.5	0	0	0	112.7	Q580 I584	Q580-L582 VanDerWaalsContact C-N 3.34Å; Q580-L582 PolarHBondContact O-N 3.16Å; L582-I584 VanDerWaalsContact C-N 3.32Å; L582-I584 HydrophobicContact CB-CD1 4.17Å; L582-I584 HydrophobicContact CB-CG1 4.05Å; L582-I584 WeakPolarHBondContact O-CG1 3.33Å; L582-I584 PolarHBondContact O-N 2.8Å
583	G	56.1	Low	61.5	Low	50 Å²	50	117.9 Å²	117.9	52%	0.515	67%	0.673	S	S	.	*			trans	68.6	24.4	176.7	0	0	0	0	0	114.9	Y581	Y581-G583 PolarHBondContact O-N 3.12Å
584	I	53.3	Low	60.1	Low	131 Å²	131	124.9 Å²	124.9	67%	0.672	70%	0.703	S	S	*	*			trans	-100.3	129.9	-178.3	-29.7	178	0	0	0	109.5	L582	L582-I584 VanDerWaalsContact C-N 3.32Å; L582-I584 HydrophobicContact CB-CD1 4.17Å; L582-I584 HydrophobicContact CB-CG1 4.05Å; L582-I584 WeakPolarHBondContact O-CG1 3.33Å; L582-I584 PolarHBondContact O-N 2.8Å
585	N	53.4	Low	58.2	Low	144 Å²	144	127.8 Å²	127.8	77%	0.77	71%	0.708	S	S	*	*			trans	-29.8	129.2	-176.2	-63.9	-41.5	0	0	0	115.3	V587	N585-V587 PolarHBondContact O-N 2.94Å
586	L	51.9	Low	56.6	Low	141 Å²	141	130 Å²	130	74%	0.738	72%	0.716	S	S	*	*			trans	-67.7	112	163.6	-80.4	162.5	0	0	0	108.7
587	V	53.3	Low	55	Low	115 Å²	115	133.2 Å²	133.2	70%	0.697	74%	0.74	S	S	*	*			trans	-99.3	119.5	169.7	-178.2	0	0	0	0	107.6	N585 E589	N585-V587 PolarHBondContact O-N 2.94Å; V587-E589 HydrophobicContact CG1-CG 4.26Å
588	V	48.4	Very low	53.7	Low	104 Å²	104	131.1 Å²	131.1	63%	0.63	74%	0.739	S	S	*	*			trans	-100.3	110	169.4	179.4	0	0	0	0	106.9
589	E	49.6	Very low	52.8	Low	166 Å²	166	133 Å²	133	78%	0.776	74%	0.744	S	S	*	*			trans	-89.6	125.2	166.7	-75.9	-174.1	155.3	0	0	108.9	V587	V587-E589 HydrophobicContact CG1-CG 4.26Å
590	G	57.6	Low	51.8	Low	67 Å²	67	133 Å²	133	69%	0.691	74%	0.744	S	S	*	*			trans	-129.6	153.2	174.6	0	0	0	0	0	110.2
591	F	58.9	Low	51.2	Low	193 Å²	193	130.7 Å²	130.7	85%	0.846	74%	0.744	S	S	*	*			trans	-105.1	139.7	173.7	-59.1	-87.3	0	0	0	109.3	V593	F591-V593 PolarHBondContact O-N 3.34Å
592	A	58.8	Low	50.3	Low	101 Å²	101	130.2 Å²	130.2	84%	0.835	75%	0.753	S	S	*	*			trans	-70.2	115.6	173.3	0	0	0	0	0	109.6	K594	A592-K594 PolarHBondContact O-N 3.03Å
593	V	62.4	Low	49.3	Very low	102 Å²	102	133.6 Å²	133.6	62%	0.618	76%	0.763	S	S	*	*			trans	-74.7	118.9	169.2	-173	0	0	0	0	107.8	F591 N595 E696	F591-V593 PolarHBondContact O-N 3.34Å; V593-N595 PolarHBondContact O-N 3.31Å; V593-E696 WeakPolarHBondContact CG1-OE1 3.44Å
594	K	60.2	Low	48.2	Very low	194 Å²	194	136.6 Å²	136.6	84%	0.843	78%	0.776	S	S	*	*			trans	-74.3	114.3	173.1	-71.6	-175.9	179.4	178.9	0	108.3	A592	A592-K594 PolarHBondContact O-N 3.03Å
595	N	47.3	Very low	47.1	Very low	139 Å²	139	135.8 Å²	135.8	74%	0.743	78%	0.781	S	S	*	*			trans	-51.4	133.5	170.5	-79.7	-21.8	0	0	0	110.2	V593 C597	V593-N595 PolarHBondContact O-N 3.31Å; N595-C597 PolarHBondContact O-N 3.04Å
596	P	47.5	Very low	46.1	Very low	121 Å²	121	137.9 Å²	137.9	79%	0.786	79%	0.786	S	S	*	*			trans	-58	129.1	165.4	-17.5	29.4	0	0	0	108.9	V598	P596-V598 PolarHBondContact O-N 2.88Å
597	C	43.4	Very low	45	Very low	128 Å²	128	139.2 Å²	139.2	87%	0.865	79%	0.793	S	S	*	*			trans	-41	128.6	-177.8	-89.9	0	0	0	0	113.5	N595 L599	N595-C597 PolarHBondContact O-N 3.04Å; C597-L599 PolarHBondContact O-N 3.1Å
598	V	40.9	Very low	43.9	Very low	140 Å²	140	139 Å²	139	85%	0.848	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-59.7	118.3	161.5	177.3	0	0	0	0	107.9	P596	P596-V598 PolarHBondContact O-N 2.88Å
599	L	44.9	Very low	42.9	Very low	153 Å²	153	139.3 Å²	139.3	80%	0.801	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-60.2	141.4	169	-75.9	165.9	0	0	0	109.4	C597	C597-L599 PolarHBondContact O-N 3.1Å
600	P	40.2	Very low	41.8	Very low	111 Å²	111	135.9 Å²	135.9	72%	0.721	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-63.1	150.2	-178.7	-11.7	23.4	0	0	0	111.5	L602	P600-L602 PolarHBondContact O-N 3.16Å
601	P	38.1	Very low	40.4	Very low	121 Å²	121	141.1 Å²	141.1	79%	0.786	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-64.9	133.3	179.7	-12.1	25.4	0	0	0	111.2	K603	P601-K603 PolarHBondContact O-N 3.24Å; P601-K603 VanDerWaalsContact O-N 3.17Å
602	L	35.8	Very low	39	Very low	179 Å²	179	143 Å²	143	94%	0.937	80%	0.804	S	S	*	*			trans	-58.6	114.4	163.7	-81.4	156.3	0	0	0	108.7	P600 S604	P600-L602 PolarHBondContact O-N 3.16Å; L602-S604 PolarHBondContact O-N 3.14Å
603	K	32.8	Very low	37.5	Very low	206 Å²	206	142.2 Å²	142.2	90%	0.896	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-65.8	122.5	175.3	-73.7	-177.3	177.1	-180	0	109.6	P601	P601-K603 PolarHBondContact O-N 3.24Å; P601-K603 VanDerWaalsContact O-N 3.17Å
604	S	33.8	Very low	35.9	Very low	113 Å²	113	140.6 Å²	140.6	79%	0.79	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-64.2	134.5	170.3	49.3	0	0	0	0	110.7	L602 Q606	L602-S604 PolarHBondContact O-N 3.14Å; S604-Q606 PolarHBondContact O-N 2.78Å
605	S	29.5	Very low	34.5	Very low	113 Å²	113	135.7 Å²	135.7	79%	0.79	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-69.9	118.1	170.5	51.2	0	0	0	0	110.4
606	Q	32.4	Very low	33.7	Very low	188 Å²	188	135.2 Å²	135.2	88%	0.879	81%	0.807	S	S	*	*			trans	-128.1	128.3	152.3	-78.2	-159.1	-15.6	0	0	110.4	S604	S604-Q606 PolarHBondContact O-N 2.78Å
607	L	29.4	Very low	32.9	Very low	169 Å²	169	136.3 Å²	136.3	89%	0.885	80%	0.799	S	S	*	*			trans	-55.8	133.5	172.9	-83.1	70.4	0	0	0	111.1
608	S	29.3	Very low	32.4	Very low	110 Å²	110	136.2 Å²	136.2	77%	0.769	79%	0.786	S	S	*	*				-162.2	114.6	127.9	46.9	0	0	0	0	111.7
609	S	28	Very low	31.9	Very low	112 Å²	112	136.4 Å²	136.4	78%	0.783	78%	0.776	S	S	*	*			trans	21.3	125.3	145.9	60.7	0	0	0	0	121.8
610	S	26.2	Very low	31.1	Very low	94 Å²	94	135.4 Å²	135.4	66%	0.657	77%	0.767	S	S	*	*				93.7	113.1	125.1	146.9	0	0	0	0	120.2
611	K	29.3	Very low	30.5	Very low	176 Å²	176	135.3 Å²	135.3	77%	0.765	77%	0.769	S	S	*	*			trans	97	113.5	131.3	-76	176.7	-176.9	173	0	120.2
612	R	28.9	Very low	30.3	Very low	233 Å²	233	133.7 Å²	133.7	88%	0.879	77%	0.765	S	S	*	*				87.6	128.3	123.4	-82.1	-174.5	178.1	-175.5	-0.8	120
613	G	27.4	Very low	30.7	Very low	84 Å²	84	130.3 Å²	130.3	87%	0.866	75%	0.754	S	S	*	*			trans	78.8	118.9	146.3	0	0	0	0	0	112.8
614	G	27.7	Very low	30.6	Very low	69 Å²	69	127.6 Å²	127.6	71%	0.711	75%	0.745	S	S	*	*			cis	135.4	117	42.1	0	0	0	0	0	104.5
615	A	31.3	Very low	30.4	Very low	91 Å²	91	129.5 Å²	129.5	75%	0.752	74%	0.739	S	S	*	*				91.4	111.4	116	0	0	0	0	0	112.5
616	V	31.2	Very low	30.4	Very low	128 Å²	128	129.9 Å²	129.9	78%	0.776	74%	0.736	S	S	*	*				106.2	134.6	100.3	156.4	0	0	0	0	108
617	K	31.4	Very low	30.1	Very low	144 Å²	144	129.4 Å²	129.4	63%	0.626	73%	0.734	S	S	*	*			cis	-175.7	147.8	-1	-114.1	-174.9	163.2	-141.6	0	106.9
618	E	31.8	Very low	30.5	Very low	126 Å²	126	127 Å²	127	59%	0.589	73%	0.728	S	S	*	*				57.3	151	129.9	-67.3	176	178.6	0	0	119.7
619	K	30.3	Very low	30.5	Very low	145 Å²	145	129.5 Å²	129.5	63%	0.63	73%	0.732	S	S	*	*			cis	-175.4	171.1	11.2	-113.9	165.5	166	-144.2	0	103.6
620	E	28.8	Very low	31.6	Very low	132 Å²	132	129 Å²	129	62%	0.617	73%	0.726	S	S	*	*			cis	-169.8	135.1	24.2	-129.5	148.5	-166.4	0	0	104.4
621	S	27.1	Very low	31.8	Very low	108 Å²	108	133.3 Å²	133.3	76%	0.755	73%	0.733	S	S	*	*				70.3	144.1	100.3	90	0	0	0	0	113.6
622	A	33.9	Very low	31.7	Very low	87 Å²	87	131.1 Å²	131.1	72%	0.719	73%	0.734	S	S	*	*			cis	171.9	-165	0.8	0	0	0	0	0	104.7
623	P	44.3	Very low	31.7	Very low	108 Å²	108	126.2 Å²	126.2	70%	0.701	72%	0.724	S	S	*	*				-132.5	175.7	-58.8	36.1	-19.6	0	0	0	114.6
624	E	31.1	Very low	31.7	Very low	150 Å²	150	129.7 Å²	129.7	70%	0.701	72%	0.718	S	S	*	*			trans	41.5	150.9	136.2	-72.7	-170.5	141.1	0	0	122.2
625	K	29	Very low	31.7	Very low	153 Å²	153	135.1 Å²	135.1	67%	0.665	72%	0.722	S	S	*	*			cis	-172.5	142.2	24.7	-125.3	157.8	-179.5	147.5	0	110.5
626	V	29.1	Very low	31.4	Very low	120 Å²	120	134.9 Å²	134.9	73%	0.727	72%	0.72	S	S	*	*			trans	59.3	117.2	132.4	-178.1	0	0	0	0	123.3
627	Q	27.1	Very low	31.2	Very low	178 Å²	178	136.7 Å²	136.7	83%	0.832	72%	0.72	S	S	*	*			trans	23.3	167.5	131.9	-57.6	-172.3	-1.9	0	0	122.5
628	P	37.9	Very low	31	Very low	119 Å²	119	136.4 Å²	136.4	77%	0.773	72%	0.721	S	S	*	*			cis	-140.6	-178	11	28.1	-1	0	0	0	117.8
629	L	28.3	Very low	30.8	Very low	162 Å²	162	136.2 Å²	136.2	85%	0.848	72%	0.724	S	S	*	*			trans	-64	-170.4	169.2	-78.5	141.7	0	0	0	114.7
630	P	52.5	Low	30.6	Very low	102 Å²	102	137.8 Å²	137.8	66%	0.662	73%	0.73	S	S	*	*			cis	-141.8	-174.9	-15.1	24.1	2.4	0	0	0	116.1
631	K	29.2	Very low	30.4	Very low	185 Å²	185	137.2 Å²	137.2	80%	0.804	74%	0.736	S	S	*	*				143.1	119.9	128.7	-75.9	-178.9	179.1	177.7	0	115.2
632	V	27.9	Very low	30.3	Very low	129 Å²	129	136.9 Å²	136.9	78%	0.782	73%	0.734	S	S	*	*				64.9	127.9	95.7	-153.3	0	0	0	0	117.7
633	I	28.3	Very low	29.9	Very low	131 Å²	131	137.8 Å²	137.8	67%	0.672	74%	0.735	S	S	*	*				146.1	122.4	123.8	-75.8	-175.2	0	0	0	115.8
634	Q	28.2	Very low	29	Very low	156 Å²	156	138.3 Å²	138.3	73%	0.729	74%	0.741	S	S	*	*			trans	47.7	161.9	140	-60.9	174.1	15.5	0	0	121.8
635	K	26	Very low	28.8	Very low	183 Å²	183	141 Å²	141	80%	0.796	75%	0.754	S	S	*	*			cis	-168.6	163.2	-13.9	-111.5	177.8	173.3	-178.2	0	106.8
636	A	26.9	Very low	28.8	Very low	86 Å²	86	138.3 Å²	138.3	71%	0.711	76%	0.76	S	S	*	*			trans	115.7	122.2	137.3	0	0	0	0	0	120.2
637	Q	26.8	Very low	28.7	Very low	167 Å²	167	138.4 Å²	138.4	78%	0.78	77%	0.766	S	S	*	*			trans	28.3	143.3	136.7	-70.3	169.9	-76.8	0	0	119.5
638	E	27.4	Very low	28.8	Very low	138 Å²	138	136 Å²	136	65%	0.645	77%	0.766	S	S	*	*			cis	-173.4	157.6	22.9	-126.2	167.6	-141.9	0	0	110.1
639	N	26	Very low	28.4	Very low	121 Å²	121	135.3 Å²	135.3	65%	0.647	77%	0.77	S	S	*	*			trans	72.5	116.9	144.9	-75.1	-31.7	0	0	0	124
640	K	26.4	Very low	28.5	Very low	178 Å²	178	135.7 Å²	135.7	77%	0.774	77%	0.772	S	S	*	*				99	114.2	124.9	-78.9	-178.5	179.1	178.1	0	120.7
641	T	24.5	Very low	27.5	Very low	120 Å²	120	136 Å²	136	74%	0.736	77%	0.774	S	S	*	*			trans	82.8	110.1	131.9	49.7	0	0	0	0	121.2
642	S	25.5	Very low	27.5	Very low	101 Å²	101	133.3 Å²	133.3	71%	0.706	78%	0.776	S	S	*	*				76	110	128.4	65.3	0	0	0	0	121
643	S	24.7	Very low	27.7	Very low	107 Å²	107	135.7 Å²	135.7	75%	0.748	78%	0.778	S	S	*	*				85	131.6	122.5	64.7	0	0	0	0	121.3
644	S	26.3	Very low	27.7	Very low	118 Å²	118	134.7 Å²	134.7	83%	0.825	78%	0.781	S	S	*	*			trans	73.8	91.5	159.7	75.2	0	0	0	0	118.3
645	E	26.9	Very low	27.7	Very low	206 Å²	206	133.2 Å²	133.2	96%	0.963	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-84.6	123	160.4	-77.7	-178.6	154.2	0	0	110.4
646	A	28.5	Very low	27.9	Very low	97 Å²	97	131.6 Å²	131.6	80%	0.802	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-97.8	139.3	161.2	0	0	0	0	0	108.8
647	S	28	Very low	27.9	Very low	122 Å²	122	132.7 Å²	132.7	85%	0.853	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-61.8	151.8	-179.3	-44.7	0	0	0	0	114
648	P	29.8	Very low	28	Very low	129 Å²	129	136.4 Å²	136.4	84%	0.838	80%	0.795	S	S	*	*			trans	-115.1	152.2	149.5	30	-15.4	0	0	0	112.9
649	A	28.2	Very low	28	Very low	103 Å²	103	135.9 Å²	135.9	85%	0.851	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-74.3	157.7	-165.7	0	0	0	0	0	115.8
650	L	30.6	Very low	28	Very low	170 Å²	170	134 Å²	134	89%	0.89	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-89.9	153.7	171.2	-83.8	154.4	0	0	0	112
651	P	30.6	Very low	28	Very low	109 Å²	109	132.4 Å²	132.4	71%	0.708	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-79.8	166.4	-178.7	34	-33.8	0	0	0	113.2
652	P	31.1	Very low	28.2	Very low	129 Å²	129	135 Å²	135	84%	0.838	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-81	147.7	-164.7	32.9	-33.7	0	0	0	113.7
653	E	30.6	Very low	28.2	Very low	178 Å²	178	137.4 Å²	137.4	83%	0.832	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-74.1	154.3	175.6	-76.2	-165.6	158.4	0	0	113.7
654	P	28.6	Very low	28.2	Very low	111 Å²	111	137.9 Å²	137.9	72%	0.721	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-78.7	146.1	175.7	32.8	-32.6	0	0	0	112.3	I656	P654-I656 PolarHBondContact O-N 3.43Å
655	S	29.5	Very low	28.2	Very low	125 Å²	125	138.3 Å²	138.3	87%	0.874	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-62.7	122.5	-179.6	54	0	0	0	0	113.3
656	I	29.7	Very low	28.1	Very low	148 Å²	148	134.2 Å²	134.2	76%	0.759	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-101.3	129.7	173.2	-59.9	172.5	0	0	0	109.6	P654 R658	P654-I656 PolarHBondContact O-N 3.43Å; I656-R658 PolarHBondContact O-N 3.08Å
657	S	27.4	Very low	27.9	Very low	109 Å²	109	135.7 Å²	135.7	76%	0.762	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-67.3	118.8	175.8	50.7	0	0	0	0	111.6
658	R	27.2	Very low	27.7	Very low	245 Å²	245	137 Å²	137	93%	0.925	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-79.2	131.3	175.3	-67.8	178.3	174.5	178.4	-2.8	110.5	I656	I656-R658 PolarHBondContact O-N 3.08Å
659	V	28.4	Very low	27.5	Very low	128 Å²	128	136 Å²	136	78%	0.776	79%	0.787	S	S	*	*			trans	-120.6	111.7	164.3	-179.7	0	0	0	0	107.6	I661	V659-I661 HydrophobicContact CG1-CG1 4.26Å
660	A	26.3	Very low	27.5	Very low	82 Å²	82	137.2 Å²	137.2	68%	0.678	78%	0.784	S	S	*	*			trans	-93.1	126.9	171	0	0	0	0	0	108.5
661	I	26.3	Very low	27.4	Very low	144 Å²	144	136.3 Å²	136.3	74%	0.738	78%	0.78	S	S	*	*			trans	-108.5	113.7	170.4	-56.5	179	0	0	0	107.2	V659	V659-I661 HydrophobicContact CG1-CG1 4.26Å
662	H	27.5	Very low	27.3	Very low	173 Å²	173	135.1 Å²	135.1	80%	0.801	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-88.6	116.6	172.7	-73.5	-72	0	0	0	109.3
663	L	25.1	Very low	27	Very low	153 Å²	153	132.3 Å²	132.3	80%	0.801	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-96.7	117.8	166.5	-76.7	163	0	0	0	108.5	V665	L663-V665 PolarHBondContact O-N 2.9Å
664	P	25.1	Very low	26.9	Very low	116 Å²	116	129.2 Å²	129.2	75%	0.753	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-75.1	125.2	173.7	28.3	-29.8	0	0	0	109.8
665	V	26.9	Very low	26.8	Very low	128 Å²	128	131 Å²	131	78%	0.776	78%	0.783	S	S	*	*			trans	-102.6	105.9	166.1	179.1	0	0	0	0	107.4	L663 V667	L663-V665 PolarHBondContact O-N 2.9Å; V665-V667 HydrophobicContact CG1-CG2 4.37Å
666	T	24.3	Very low	26.6	Very low	119 Å²	119	133.5 Å²	133.5	73%	0.73	78%	0.778	S	S	*	*			trans	-82.8	112.5	171.7	-42.5	0	0	0	0	108.5
667	V	25.7	Very low	26.6	Very low	129 Å²	129	133.8 Å²	133.8	78%	0.782	78%	0.776	S	S	*	*			trans	-87.7	108.2	170.7	-178.8	0	0	0	0	107.8	V665	V665-V667 HydrophobicContact CG1-CG2 4.37Å
668	L	23.9	Very low	26.6	Very low	150 Å²	150	136.7 Å²	136.7	79%	0.785	78%	0.778	S	S	*	*			trans	-83.3	116	167.8	-76.5	167.8	0	0	0	108.9
669	S	25.6	Very low	26.4	Very low	106 Å²	106	135.4 Å²	135.4	74%	0.741	78%	0.779	S	S	*	*			trans	-70.2	129.3	165.8	-166.3	0	0	0	0	108.6
670	V	27.8	Very low	26.4	Very low	130 Å²	130	134.6 Å²	134.6	79%	0.788	78%	0.779	S	S	*	*			trans	-115.6	100.3	174.2	-172.2	0	0	0	0	108.3
671	D	27.5	Very low	26.6	Very low	151 Å²	151	140 Å²	140	81%	0.807	79%	0.787	S	S	*	*			trans	-78.5	150.7	157.4	-80.7	-40.2	0	0	0	109.5
672	G	28.1	Very low	26.5	Very low	83 Å²	83	142.2 Å²	142.2	86%	0.856	79%	0.792	S	S	*	*			trans	-66.9	163.3	-162.5	0	0	0	0	0	117.6
673	G	25.7	Very low	26.5	Very low	70 Å²	70	142.5 Å²	142.5	72%	0.722	79%	0.793	S	S	*	*			trans	131.2	110.7	162.7	0	0	0	0	0	115.6
674	S	28	Very low	26.6	Very low	113 Å²	113	139.8 Å²	139.8	79%	0.79	79%	0.793	S	S	*	*			trans	37.2	129.2	148.4	59.9	0	0	0	0	122.8
675	N	26.7	Very low	26.6	Very low	149 Å²	149	143.6 Å²	143.6	80%	0.797	80%	0.8	S	S	*	*			trans	84.2	131.1	138.7	-86	-0.5	0	0	0	123
676	F	26.3	Very low	26.7	Very low	178 Å²	178	143.6 Å²	143.6	78%	0.781	80%	0.8	S	S	*	*			trans	94	145.1	148.9	-91.1	-80.2	0	0	0	123.3
677	E	28.4	Very low	26.6	Very low	153 Å²	153	146 Å²	146	72%	0.715	81%	0.808	S	S	*	*			trans	-76.9	172.8	-165.3	-60.6	170.3	126.3	0	0	115.5
678	H	27.1	Very low	26.6	Very low	170 Å²	170	148.9 Å²	148.9	79%	0.787	81%	0.81	S	S	*	*			trans	74.3	114	161.4	-89.6	39.6	0	0	0	117.2
679	F	24.8	Very low	26.7	Very low	219 Å²	219	148.3 Å²	148.3	96%	0.961	81%	0.812	S	S	*	*				-168.7	155	120.3	-107	-79.4	0	0	0	111.3
680	S	27.2	Very low	26.8	Very low	111 Å²	111	150.9 Å²	150.9	78%	0.776	81%	0.813	S	S	*	*			trans	-89	159.8	-147.3	-170.8	0	0	0	0	116.9
681	K	30.4	Very low	26.9	Very low	194 Å²	194	150 Å²	150	84%	0.843	81%	0.809	S	S	*	*			trans	-54.7	138.4	167.7	-71.5	169.7	172.4	173.4	0	112.8
682	K	24.8	Very low	27.2	Very low	191 Å²	191	148.8 Å²	148.8	83%	0.83	81%	0.808	S	S	*	*				-178.6	144	129.4	-103.6	174.7	-176.8	-175	0	113.4
683	H	27.6	Very low	27.4	Very low	179 Å²	179	148.9 Å²	148.9	83%	0.829	79%	0.792	S	S	*	*			trans	82.6	100	168.8	-66.3	-75.7	0	0	0	119.5
684	A	26.1	Very low	27.9	Very low	97 Å²	97	150 Å²	150	80%	0.802	79%	0.794	S	S	*	*			trans	-144.8	103.4	149.9	0	0	0	0	0	109
685	E	25.4	Very low	27.9	Very low	195 Å²	195	150.3 Å²	150.3	91%	0.911	79%	0.791	S	S	*	*			trans	-99.6	126.8	158.3	-80.8	-176.9	152.9	0	0	107.1
686	V	29	Very low	28.2	Very low	128 Å²	128	147.6 Å²	147.6	78%	0.776	77%	0.774	S	S	*	*			trans	-122.7	114.8	174	176.5	0	0	0	0	108.7	K688	V686-K688 PolarHBondContact O-N 3.06Å
687	L	23.3	Very low	28.5	Very low	169 Å²	169	148.5 Å²	148.5	89%	0.885	78%	0.778	S	S	*	*			trans	-68.2	118.1	167.1	-84.5	151.3	0	0	0	109.7
688	K	24.5	Very low	28.7	Very low	191 Å²	191	150.7 Å²	150.7	83%	0.83	79%	0.785	S	S	*	*			trans	-85.5	128.4	166.2	-82.8	-179.9	174.7	176.1	0	109.3	V686	V686-K688 PolarHBondContact O-N 3.06Å
689	V	25.9	Very low	28.8	Very low	137 Å²	137	151.8 Å²	151.8	83%	0.83	79%	0.79	S	S	*	*			trans	-120.3	124.5	162.8	-179.6	0	0	0	0	107.8
690	Q	29.3	Very low	29	Very low	161 Å²	161	145.6 Å²	145.6	75%	0.752	78%	0.779	S	S	*	*			trans	-101.4	140.1	176.2	-75.9	-178.2	-22.6	0	0	110.2
691	P	29.5	Very low	29.1	Very low	110 Å²	110	146.6 Å²	146.6	71%	0.714	79%	0.786	S	S	*	*			trans	-85.7	137.3	173.3	27.1	-20.7	0	0	0	111.8
692	T	32.4	Very low	29	Very low	126 Å²	126	144 Å²	144	77%	0.773	78%	0.781	S	S	*	*			trans	-113	9.3	-163.7	44.8	0	0	0	0	116.3
693	T	33.8	Very low	29.2	Very low	86 Å²	86	143.4 Å²	143.4	53%	0.528	77%	0.773	S	S	.	*			trans	-144.3	151.1	173.7	64.1	0	0	0	0	115.7	T695	T693-T695 PolarHBondContact O-N 3.04Å
694	A	35.3	Very low	29.1	Very low	92 Å²	92	140 Å²	140	76%	0.76	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.2	-10.6	-172.7	0	0	0	0	0	115.3
695	T	28.1	Very low	29.2	Very low	120 Å²	120	141.5 Å²	141.5	74%	0.736	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-18.9	-176.3	-5.7	0	0	0	0	113.3	T693	T693-T695 PolarHBondContact O-N 3.04Å
696	E	32.2	Very low	29.2	Very low	93 Å²	93	139.5 Å²	139.5	44%	0.435	75%	0.752	S	S	.	*	G	3₁₀ helix	trans	-85.6	-9.8	-179.5	-72.2	178.8	156.3	0	0	114	V593 K698	V593-E696 WeakPolarHBondContact CG1-OE1 3.44Å; E696-K698 PolarHBondContact O-N 3.12Å
697	K	34.4	Very low	29.1	Very low	197 Å²	197	142.7 Å²	142.7	86%	0.857	76%	0.756	S	S	*	*	G	3₁₀ helix	trans	-72.5	-6.4	176.4	-79.3	-175.2	177	178.9	0	114.5
698	K	32.4	Very low	29.2	Very low	199 Å²	199	140.2 Å²	140.2	87%	0.865	74%	0.744	S	S	*	*	G	3₁₀ helix	trans	-92.4	-5.1	-174	-88.2	-175	175.5	180	0	115.9	E696	E696-K698 PolarHBondContact O-N 3.12Å
699	Q	28.8	Very low	29.4	Very low	193 Å²	193	136.9 Å²	136.9	90%	0.902	74%	0.742	S	S	*	*	S	Bend	trans	-139.8	61.5	-178.8	-100.1	-178.7	-21.1	0	0	112.2
700	A	28.8	Very low	29.5	Very low	88 Å²	88	137.2 Å²	137.2	73%	0.727	74%	0.739	S	S	*	*			trans	-158.5	74.3	163	0	0	0	0	0	110.4
701	S	29.4	Very low	29.3	Very low	132 Å²	132	134.2 Å²	134.2	92%	0.923	74%	0.735	S	S	*	*			trans	-104.4	78.4	161.6	-67	0	0	0	0	108.7
702	L	27.4	Very low	29.3	Very low	139 Å²	139	134.7 Å²	134.7	73%	0.728	74%	0.738	S	S	*	*			trans	-101.9	112.4	161.9	-95.4	152.1	0	0	0	107.3	L704	L702-L704 PolarHBondContact O-N 3.15Å; L702-L704 VanDerWaalsContact O-N 3.14Å
703	R	30.2	Very low	29	Very low	179 Å²	179	135.6 Å²	135.6	68%	0.675	74%	0.744	S	S	*	*			trans	-65	106.9	174.1	-78.2	178.9	171.2	-174.5	-7.2	108.9
704	L	24.7	Very low	28.8	Very low	107 Å²	107	144.5 Å²	144.5	56%	0.56	78%	0.775	S	S	*	*			trans	-101.5	111.3	163.3	-119.6	84.4	0	0	0	108.8	L702 M706	L702-L704 PolarHBondContact O-N 3.15Å; L702-L704 VanDerWaalsContact O-N 3.14Å; L704-M706 HydrophobicContact CB-CG 4.46Å; L704-M706 HydrophobicContact CD2-CG 3.78Å; L704-M706 HydrophobicContact CD2-SD 4.15Å; L704-M706 HydrophobicContact CG-CG 4.43Å; L704-M706 PolarHBondContact O-N 2.85Å
705	V	28.1	Very low	28.4	Very low	130 Å²	130	147.1 Å²	147.1	79%	0.788	78%	0.776	S	S	*	*			trans	-79.7	108.1	162.2	176.4	0	0	0	0	106.3
706	M	26	Very low	28.5	Very low	152 Å²	152	148.5 Å²	148.5	75%	0.749	78%	0.778	S	S	*	*			trans	-112.4	131	173.1	-76.1	-70.3	-75.7	0	0	110.5	L704	L704-M706 HydrophobicContact CB-CG 4.46Å; L704-M706 HydrophobicContact CD2-CG 3.78Å; L704-M706 HydrophobicContact CD2-SD 4.15Å; L704-M706 HydrophobicContact CG-CG 4.43Å; L704-M706 PolarHBondContact O-N 2.85Å
707	F	26	Very low	28.2	Very low	195 Å²	195	151.6 Å²	151.6	86%	0.855	80%	0.797	S	S	*	*			trans	-60.3	140.4	177.8	-97.6	-103.2	0	0	0	112.8
708	N	26.4	Very low	27.9	Very low	117 Å²	117	148.9 Å²	148.9	63%	0.626	79%	0.793	S	S	*	*			trans	-0.6	113.3	157.5	-163.2	9.1	0	0	0	117.8	N710	N708-N710 VanDerWaalsContact C-N 3.32Å; N708-N710 PolarHBondContact O-N 3.03Å; N708-N710 PolarHBondContact OD1-N 2.84Å
709	P	28.5	Very low	27.6	Very low	122 Å²	122	145.8 Å²	145.8	79%	0.792	79%	0.789	S	S	*	*			trans	-85.7	10.1	175.9	34	-32.7	0	0	0	114.6	S711	P709-S711 PolarHBondContact O-N 3.12Å; P709-S711 VanDerWaalsContact O-N 3.16Å
710	N	28.6	Very low	27.5	Very low	143 Å²	143	142.7 Å²	142.7	77%	0.765	78%	0.781	S	S	*	*			trans	-88.5	81.1	179.6	-74.1	-29.6	0	0	0	112.5	N708	N708-N710 VanDerWaalsContact C-N 3.32Å; N708-N710 PolarHBondContact O-N 3.03Å; N708-N710 PolarHBondContact OD1-N 2.84Å
711	S	23.8	Very low	27.4	Very low	98 Å²	98	146.6 Å²	146.6	69%	0.685	79%	0.785	S	S	*	*			trans	-135.6	124.6	149.2	-170.5	0	0	0	0	108.7	P709 V713	P709-S711 PolarHBondContact O-N 3.12Å; P709-S711 VanDerWaalsContact O-N 3.16Å; S711-V713 PolarHBondContact O-N 3.1Å
712	P	29.4	Very low	27.3	Very low	120 Å²	120	147.7 Å²	147.7	78%	0.779	77%	0.774	S	S	*	*			trans	-71.5	122.6	-177.6	28.8	-31.4	0	0	0	110	K714	P712-K714 PolarHBondContact O-N 3.23Å
713	V	26.1	Very low	27.3	Very low	145 Å²	145	148.4 Å²	148.4	88%	0.879	78%	0.778	S	S	*	*			trans	-71.7	117.1	162.6	-178.5	0	0	0	0	107	S711	S711-V713 PolarHBondContact O-N 3.1Å
714	K	29.4	Very low	27	Very low	273 Å²	273	145.6 Å²	145.6	100%	1.187	79%	0.788	S	S	*	*			trans	-84.6	0	160.3	-93.1	-171.4	177	-178.1	0	109.6	P712	P712-K714 PolarHBondContact O-N 3.23Å

Retrieved 714 of 714 residues in 1137.4 ms (Link to these results)

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