A0A077ZJQ2_TRITR Loading...

type I protein arginine methyltransferase

AlphaFold DB , UniProt , Accession A0A077ZJQ2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 377 aa.

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(Predicted Aligned Error values between residue pairs)

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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	34	Very low	31.6	Very low	250 Å²	250	151.5 Å²	151.5	100%	1.232	86%	0.855	S	S	*	*				0	122.6	0	-69.4	-178.2	-158.4	0	0	107.3
2	S	30.6	Very low	31.3	Very low	116 Å²	116	146.7 Å²	146.7	81%	0.811	85%	0.848	S	S	*	*			trans	-80.8	144.4	-171.4	48.5	0	0	0	0	113.3
3	A	33.7	Very low	31.5	Very low	83 Å²	83	148.6 Å²	148.6	69%	0.686	85%	0.853	S	S	*	*			trans	169	100.6	137.5	0	0	0	0	0	109.1
4	F	31.8	Very low	31.5	Very low	197 Å²	197	142.4 Å²	142.4	86%	0.864	84%	0.837	S	S	*	*				91	117.9	97.9	-79.4	-67.5	0	0	0	113.5
5	P	33.8	Very low	31.6	Very low	121 Å²	121	141.9 Å²	141.9	79%	0.786	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-87.6	139	170.2	33.6	-28.9	0	0	0	111.2	Q7	P5-Q7 PolarHBondContact O-N 3.15Å
6	V	33	Very low	31.8	Very low	141 Å²	141	143.4 Å²	143.4	86%	0.855	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-71.2	117.7	179.4	176.3	0	0	0	0	110
7	Q	31.2	Very low	31.7	Very low	178 Å²	178	140.5 Å²	140.5	83%	0.832	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-81.5	135.5	162.4	-83.3	175.7	-49.9	0	0	109.2	P5	P5-Q7 PolarHBondContact O-N 3.15Å
8	V	33.4	Very low	31.9	Very low	138 Å²	138	138.9 Å²	138.9	84%	0.836	83%	0.834	S	S	*	*			trans	-93.1	105.9	172.3	-171.8	0	0	0	0	107	A10	V8-A10 PolarHBondContact O-N 3.32Å
9	D	30.7	Very low	31.9	Very low	156 Å²	156	140.9 Å²	140.9	83%	0.834	83%	0.833	S	S	*	*			trans	-73.5	119.4	173.8	-89.5	-31.9	0	0	0	110.3
10	A	28.6	Very low	31.7	Very low	91 Å²	91	143.7 Å²	143.7	75%	0.752	84%	0.838	S	S	*	*			trans	-91.7	98.2	166	0	0	0	0	0	108.3	V8	V8-A10 PolarHBondContact O-N 3.32Å
11	Q	27.2	Very low	31.8	Very low	196 Å²	196	147 Å²	147	92%	0.916	84%	0.836	S	S	*	*			trans	175.5	92.6	156.3	-101.3	166.5	32.4	0	0	110.8
12	A	28.2	Very low	31.6	Very low	93 Å²	93	141.1 Å²	141.1	77%	0.769	82%	0.817	S	S	*	*			trans	-171.8	83.3	153.6	0	0	0	0	0	109.2
13	N	34	Very low	31.5	Very low	172 Å²	172	142.6 Å²	142.6	92%	0.92	82%	0.821	S	S	*	*			trans	-160.8	81.1	153.6	-92.1	-21.2	0	0	0	107.2
14	G	30.4	Very low	31.4	Very low	61 Å²	61	141.8 Å²	141.8	63%	0.629	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-74.7	153.6	164.3	0	0	0	0	0	110.2	I16	G14-I16 PolarHBondContact O-N 2.99Å
15	P	33	Very low	31.2	Very low	135 Å²	135	136.5 Å²	136.5	88%	0.877	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-72	124.7	-176.2	30.8	-33.5	0	0	0	109.8	A17	P15-A17 PolarHBondContact O-N 3.01Å
16	I	35.5	Very low	31.1	Very low	166 Å²	166	139 Å²	139	85%	0.851	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-71.6	116.7	169.9	-64.7	171.9	0	0	0	107	G14 S18	G14-I16 PolarHBondContact O-N 2.99Å; I16-S18 PolarHBondContact O-N 2.8Å
17	A	30.7	Very low	30.9	Very low	94 Å²	94	141.7 Å²	141.7	78%	0.777	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-60.7	117.3	172	0	0	0	0	0	109.7	P15	P15-A17 PolarHBondContact O-N 3.01Å
18	S	35.3	Very low	30.8	Very low	112 Å²	112	136 Å²	136	78%	0.783	81%	0.811	S	S	*	*			trans	-82.7	115.7	169.2	53.3	0	0	0	0	109.2	I16 E20	I16-S18 PolarHBondContact O-N 2.8Å; S18-E20 PolarHBondContact O-N 2.87Å
19	E	31.3	Very low	30.8	Very low	177 Å²	177	132.6 Å²	132.6	83%	0.827	79%	0.793	S	S	*	*			trans	-58.9	123.3	167	-71	179.2	150.3	0	0	110.2	R21	E19-R21 PolarHBondContact O-N 3.2Å
20	E	28.7	Very low	31.4	Very low	196 Å²	196	129.6 Å²	129.6	92%	0.916	79%	0.79	S	S	*	*			trans	-64.8	112.9	169.5	-70.4	-179.5	157	0	0	109.7	S18	S18-E20 PolarHBondContact O-N 2.87Å
21	R	31.9	Very low	31.8	Very low	214 Å²	214	134 Å²	134	81%	0.808	80%	0.796	S	S	*	*			trans	-91.9	140.2	161.1	-72.4	-173.2	-174.4	-176.6	3.4	109	E19 V23	E19-R21 PolarHBondContact O-N 3.2Å; R21-V23 PolarHBondContact O-N 2.69Å
22	P	30	Very low	32.6	Very low	127 Å²	127	130 Å²	130	83%	0.825	78%	0.78	S	S	*	*			trans	-70.3	126.2	-174.7	27.2	-29.8	0	0	0	110.2	G24	P22-G24 VanDerWaalsContact C-N 3.32Å; P22-G24 PolarHBondContact O-N 3.21Å
23	V	29.1	Very low	33	Very low	147 Å²	147	131.7 Å²	131.7	89%	0.891	77%	0.774	S	S	*	*			trans	-68.7	90.8	172.9	-175.2	0	0	0	0	108.1	R21 A25	R21-V23 PolarHBondContact O-N 2.69Å; V23-A25 PolarHBondContact O-N 3.46Å
24	G	30.8	Very low	34	Very low	65 Å²	65	126.5 Å²	126.5	67%	0.67	75%	0.748	S	S	*	*			trans	-72.6	114.9	165.6	0	0	0	0	0	109.5	P22 L26	P22-G24 VanDerWaalsContact C-N 3.32Å; P22-G24 PolarHBondContact O-N 3.21Å; G24-L26 PolarHBondContact O-N 3.22Å
25	A	27.8	Very low	35.3	Very low	87 Å²	87	124.9 Å²	124.9	72%	0.719	73%	0.728	S	S	*	*			trans	-11.6	100.1	170.1	0	0	0	0	0	117	V23	V23-A25 PolarHBondContact O-N 3.46Å
26	L	32.6	Very low	36.4	Very low	173 Å²	173	121.8 Å²	121.8	91%	0.906	70%	0.701	S	S	*	*			trans	-95.2	86.1	145.5	-79.9	161.3	0	0	0	106.7	G24 G28	G24-L26 PolarHBondContact O-N 3.22Å; L26-G28 VanDerWaalsContact C-N 3.29Å; L26-G28 PolarHBondContact O-N 3.02Å; L26-G28 VanDerWaalsContact O-N 3.17Å
27	Q	28	Very low	37.7	Very low	198 Å²	198	117.4 Å²	117.4	93%	0.925	68%	0.68	S	S	*	*			trans	-77.5	87.4	163.1	-83.2	179.5	-20.9	0	0	107.8
28	G	30.6	Very low	39.1	Very low	59 Å²	59	120.8 Å²	120.8	61%	0.608	67%	0.674	S	S	*	*			trans	-149.4	115.4	162.2	0	0	0	0	0	106.6	L26	L26-G28 VanDerWaalsContact C-N 3.29Å; L26-G28 PolarHBondContact O-N 3.02Å; L26-G28 VanDerWaalsContact O-N 3.17Å
29	S	32.7	Very low	40.4	Very low	66 Å²	66	116 Å²	116	46%	0.462	64%	0.638	S	S	.	*			trans	-57.5	136.4	173.9	13.7	0	0	0	0	109.1	E31 D32	S29-E31 PolarHBondContact O-N 3.48Å; S29-D32 PolarHBondContact O-N 2.98Å; S29-D32 PolarHBondContact OG-OD2 3.49Å
30	A	43.2	Very low	42.1	Very low	93 Å²	93	108.9 Å²	108.9	77%	0.769	61%	0.605	S	S	*	*	G	3₁₀ helix	trans	-57.1	-15.2	172.9	0	0	0	0	0	112.9	D32	A30-D32 VanDerWaalsContact C-N 3.33Å
31	E	37.8	Very low	44.1	Very low	184 Å²	184	104.3 Å²	104.3	86%	0.86	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-73.5	-16.3	173.9	-65.3	-179.7	161.7	0	0	114.1	S29	S29-E31 PolarHBondContact O-N 3.48Å
32	D	42.2	Very low	46	Very low	111 Å²	111	96 Å²	96	59%	0.594	56%	0.561	S	S	*	*	G	3₁₀ helix	trans	-98.2	-5.9	179.5	-70	-49.1	0	0	0	113.8	S29 A30 T34	S29-D32 PolarHBondContact O-N 2.98Å; S29-D32 PolarHBondContact OG-OD2 3.49Å; A30-D32 VanDerWaalsContact C-N 3.33Å; D32-T34 PolarHBondContact O-N 3.44Å; D32-T34 VanDerWaalsContact O-N 3.12Å
33	M	37.8	Very low	48.2	Very low	128 Å²	128	91.9 Å²	91.9	63%	0.631	53%	0.529	S	S	*	.			trans	-78.3	99.4	172.4	-72.5	-144	-53.9	0	0	109.4
34	T	53.8	Low	50.3	Low	63 Å²	63	86.6 Å²	86.6	39%	0.387	50%	0.501	S	S	.	.			trans	-72.8	154.1	176.2	63.7	0	0	0	0	110.4	D32 Q36 D37 Y38	D32-T34 PolarHBondContact O-N 3.44Å; D32-T34 VanDerWaalsContact O-N 3.12Å; T34-Q36 PolarHBondContact O-N 3.03Å; T34-Q36 WeakPolarHBondContact OG1-CB 3.49Å; T34-D37 PolarHBondContact O-N 3.31Å; T34-D37 PolarHBondContact OG1-OD2 3.3Å; T34-D37 VanDerWaalsContact OG1-OD2 3.04Å; T34-Y38 PolarHBondContact O-N 3.29Å
35	S	57.9	Low	52.7	Low	28 Å²	28	88.7 Å²	88.7	20%	0.196	49%	0.493	C	S	.	.	H	α-helix	trans	-56.9	-20.7	172.2	76.3	0	0	0	0	111.6	Y38 Y39 N349 D352	S35-Y38 PolarHBondContact O-N 2.77Å; S35-Y39 VanDerWaalsContact O-CB 3.29Å; S35-Y39 WeakPolarHBondContact O-CB 3.04Å; S35-Y39 PolarHBondContact O-N 3.31Å; S35-N349 PolarHBondContact OG-ND2 3.18Å; S35-D352 PolarHBondContact OG-OD1 2.83Å
36	Q	56.8	Low	55.2	Low	69 Å²	69	91 Å²	91	32%	0.322	49%	0.487	S	S	.	.	H	α-helix	trans	-60	-46.7	172	-166.3	-179.3	5.2	0	0	113.2	T34 F40 R351	T34-Q36 PolarHBondContact O-N 3.03Å; T34-Q36 WeakPolarHBondContact OG1-CB 3.49Å; Q36-F40 HydrophobicContact CG-CD2 4.31Å; Q36-F40 HydrophobicContact CG-CE2 3.89Å; Q36-F40 WeakPolarHBondContact O-CD2 3.37Å; Q36-F40 PolarHBondContact O-N 3.11Å; Q36-R351 PolarHBondContact O-NH1 3.33Å; Q36-R351 VanDerWaalsContact O-NH1 3.17Å
37	D	61.7	Low	57.7	Low	75 Å²	75	84 Å²	84	40%	0.401	46%	0.457	S	S	.	.	H	α-helix	trans	-70.9	-42.2	179.3	-61.8	-48.4	0	0	0	110.3	T34 Y39 F40 D41	T34-D37 PolarHBondContact O-N 3.31Å; T34-D37 PolarHBondContact OG1-OD2 3.3Å; T34-D37 VanDerWaalsContact OG1-OD2 3.04Å; D37-Y39 VanDerWaalsContact C-N 3.34Å; D37-Y39 PolarHBondContact O-N 3.02Å; D37-F40 PolarHBondContact O-N 3.34Å; D37-D41 WeakPolarHBondContact O-CB 3.25Å; D37-D41 PolarHBondContact O-N 3.47Å
38	Y	60.1	Low	60.4	Low	165 Å²	165	76.3 Å²	76.3	65%	0.647	42%	0.422	S	S	*	.	H	α-helix	trans	-60.1	-42.4	176.9	-165.5	-92.9	0	0	0	112.3	T34 S35 D41 S42	T34-Y38 PolarHBondContact O-N 3.29Å; S35-Y38 PolarHBondContact O-N 2.77Å; Y38-D41 PolarHBondContact O-N 3.47Å; Y38-S42 VanDerWaalsContact O-CB 3.28Å; Y38-S42 WeakPolarHBondContact O-CB 3.44Å; Y38-S42 PolarHBondContact O-N 2.92Å; Y38-S42 PolarHBondContact O-OG 3.33Å
39	Y	64.2	Low	63.1	Low	11 Å²	11	74.1 Å²	74.1	4%	0.043	40%	0.396	C	S	.	.	H	α-helix	trans	-55.8	-56.3	174.9	178.9	-87.2	0	0	0	110.6	S35 D37 D41 S42 Y43 E176	S35-Y39 VanDerWaalsContact O-CB 3.29Å; S35-Y39 WeakPolarHBondContact O-CB 3.04Å; S35-Y39 PolarHBondContact O-N 3.31Å; D37-Y39 VanDerWaalsContact C-N 3.34Å; D37-Y39 PolarHBondContact O-N 3.02Å; Y39-D41 VanDerWaalsContact C-N 3.31Å; Y39-D41 PolarHBondContact O-N 3.15Å; Y39-S42 PolarHBondContact O-N 2.95Å; Y39-S42 VanDerWaalsContact O-N 3.17Å; Y39-S42 PolarHBondContact O-OG 3.06Å; Y39-Y43 HydrophobicContact CD1-CD2 4.08Å; Y39-Y43 HydrophobicContact CD1-CE2 4.18Å; Y39-Y43 HydrophobicContact CD2-CD2 4.32Å; Y39-Y43 AromaticContact CD2-CE2 3.76Å; Y39-Y43 HydrophobicContact CD2-CE2 3.76Å; Y39-Y43 AromaticContact CE1-CD2 3.85Å; Y39-Y43 HydrophobicContact CE1-CD2 3.85Å; Y39-Y43 AromaticContact CE1-CE2 3.73Å; Y39-Y43 HydrophobicContact CE1-CE2 3.73Å; Y39-Y43 HydrophobicContact CE2-CD2 4.12Å; Y39-Y43 AromaticContact CE2-CE2 3.27Å; Y39-Y43 HydrophobicContact CE2-CE2 3.27Å; Y39-Y43 AromaticContact CE2-CZ 3.97Å; Y39-Y43 HydrophobicContact CG-CD2 4.31Å; Y39-Y43 HydrophobicContact CG-CE2 4.19Å; Y39-Y43 AromaticContact CZ-CD2 3.87Å; Y39-Y43 AromaticContact CZ-CE2 3.24Å; Y39-Y43 AromaticContact CZ-CZ 3.79Å; Y39-Y43 VanDerWaalsContact O-CD2 3.26Å; Y39-Y43 WeakPolarHBondContact O-CD2 3.23Å; Y39-Y43 PolarHBondContact O-N 2.8Å; Y39-Y43 PolarHBondContact OH-OH 2.61Å; Y39-E176 HydrophobicContact CD2-CB 4.25Å; Y39-E176 HydrophobicContact CD2-CG 4.05Å; Y39-E176 WeakPolarHBondContact CD2-OE1 3.25Å; Y39-E176 HydrophobicContact CE2-CB 3.91Å; Y39-E176 HydrophobicContact CE2-CG 4.23Å
40	F	66.3	Low	66	Low	28 Å²	28	75 Å²	75	12%	0.123	39%	0.392	C	S	.	.	H	α-helix	trans	-68.7	-31.6	-174.2	-66.4	-61.4	0	0	0	113.7	Q36 D37 F105 S106	Q36-F40 HydrophobicContact CG-CD2 4.31Å; Q36-F40 HydrophobicContact CG-CE2 3.89Å; Q36-F40 WeakPolarHBondContact O-CD2 3.37Å; Q36-F40 PolarHBondContact O-N 3.11Å; D37-F40 PolarHBondContact O-N 3.34Å; F40-F105 HydrophobicContact CB-CD1 3.94Å; F40-F105 HydrophobicContact CB-CE1 3.93Å; F40-F105 HydrophobicContact CD1-CB 4.5Å; F40-F105 AromaticContact CD1-CD1 3.48Å; F40-F105 HydrophobicContact CD1-CD1 3.48Å; F40-F105 VanDerWaalsContact CD1-CD1 3.48Å; F40-F105 HydrophobicContact CD1-CE1 4.2Å; F40-F105 HydrophobicContact CD1-CG 4.47Å; F40-F105 AromaticContact CD2-CD1 3.78Å; F40-F105 HydrophobicContact CD2-CD1 3.78Å; F40-F105 AromaticContact CD2-CE1 3.69Å; F40-F105 HydrophobicContact CD2-CE1 3.69Å; F40-F105 HydrophobicContact CE1-CB 4.37Å; F40-F105 AromaticContact CE1-CD1 3.75Å; F40-F105 HydrophobicContact CE1-CD1 3.75Å; F40-F105 HydrophobicContact CE2-CD1 4.05Å; F40-F105 HydrophobicContact CE2-CE1 4.15Å; F40-F105 AromaticContact CG-CD1 3.46Å; F40-F105 HydrophobicContact CG-CD1 3.46Å; F40-F105 VanDerWaalsContact CG-CD1 3.46Å; F40-F105 AromaticContact CG-CE1 3.69Å; F40-F105 HydrophobicContact CG-CE1 3.69Å; F40-F105 HydrophobicContact CZ-CD1 4.01Å; F40-S106 PolarHBondContact O-OG 3.29Å
41	D	71.4	Confident	68.3	Low	100 Å²	100	74 Å²	74	54%	0.535	37%	0.372	S	S	.	.	H	α-helix	trans	-70.8	-35.3	173.7	-80.8	-17	0	0	0	112.2	D37 Y38 Y39 Y43 A44	D37-D41 WeakPolarHBondContact O-CB 3.25Å; D37-D41 PolarHBondContact O-N 3.47Å; Y38-D41 PolarHBondContact O-N 3.47Å; Y39-D41 VanDerWaalsContact C-N 3.31Å; Y39-D41 PolarHBondContact O-N 3.15Å; D41-Y43 VanDerWaalsContact C-N 3.35Å; D41-Y43 PolarHBondContact O-N 3.19Å; D41-A44 WeakPolarHBondContact O-CB 3.38Å; D41-A44 PolarHBondContact O-N 3.41Å; D41-A44 VanDerWaalsContact O-N 3.1Å
42	S	72.2	Confident	70.9	Confident	39 Å²	39	66 Å²	66	27%	0.273	34%	0.335	S	S	.	.	H	α-helix	trans	-65.5	-38.4	176.3	78	0	0	0	0	111.6	Y38 Y39 A44 H45	Y38-S42 VanDerWaalsContact O-CB 3.28Å; Y38-S42 WeakPolarHBondContact O-CB 3.44Å; Y38-S42 PolarHBondContact O-N 2.92Å; Y38-S42 PolarHBondContact O-OG 3.33Å; Y39-S42 PolarHBondContact O-N 2.95Å; Y39-S42 VanDerWaalsContact O-N 3.17Å; Y39-S42 PolarHBondContact O-OG 3.06Å; S42-A44 PolarHBondContact O-N 2.89Å; S42-H45 VanDerWaalsContact O-CB 3.31Å; S42-H45 WeakPolarHBondContact O-CB 3.27Å; S42-H45 PolarHBondContact O-N 3.45Å
43	Y	76	Confident	73.4	Confident	40 Å²	40	64 Å²	64	16%	0.157	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-9.4	173.7	-80.4	-91.4	0	0	0	114.2	Y39 D41 H45 I48 H49 M52 S106	Y39-Y43 HydrophobicContact CD1-CD2 4.08Å; Y39-Y43 HydrophobicContact CD1-CE2 4.18Å; Y39-Y43 HydrophobicContact CD2-CD2 4.32Å; Y39-Y43 AromaticContact CD2-CE2 3.76Å; Y39-Y43 HydrophobicContact CD2-CE2 3.76Å; Y39-Y43 AromaticContact CE1-CD2 3.85Å; Y39-Y43 HydrophobicContact CE1-CD2 3.85Å; Y39-Y43 AromaticContact CE1-CE2 3.73Å; Y39-Y43 HydrophobicContact CE1-CE2 3.73Å; Y39-Y43 HydrophobicContact CE2-CD2 4.12Å; Y39-Y43 AromaticContact CE2-CE2 3.27Å; Y39-Y43 HydrophobicContact CE2-CE2 3.27Å; Y39-Y43 AromaticContact CE2-CZ 3.97Å; Y39-Y43 HydrophobicContact CG-CD2 4.31Å; Y39-Y43 HydrophobicContact CG-CE2 4.19Å; Y39-Y43 AromaticContact CZ-CD2 3.87Å; Y39-Y43 AromaticContact CZ-CE2 3.24Å; Y39-Y43 AromaticContact CZ-CZ 3.79Å; Y39-Y43 VanDerWaalsContact O-CD2 3.26Å; Y39-Y43 WeakPolarHBondContact O-CD2 3.23Å; Y39-Y43 PolarHBondContact O-N 2.8Å; Y39-Y43 PolarHBondContact OH-OH 2.61Å; D41-Y43 VanDerWaalsContact C-N 3.35Å; D41-Y43 PolarHBondContact O-N 3.19Å; Y43-H45 VanDerWaalsContact C-N 3.28Å; Y43-I48 HydrophobicContact CD1-CG2 4.24Å; Y43-I48 HydrophobicContact CE1-CG1 4.34Å; Y43-I48 HydrophobicContact CG-CG2 4.49Å; Y43-H49 PolarHBondContact O-NE2 3.47Å; Y43-M52 HydrophobicContact CE1-CE 3.47Å; Y43-M52 VanDerWaalsContact CE1-CE 3.47Å; Y43-M52 HydrophobicContact CE1-SD 4.03Å; Y43-M52 VanDerWaalsContact OH-CE 3.23Å; Y43-M52 WeakPolarHBondContact OH-CE 3.39Å; Y43-S106 VanDerWaalsContact C-OG 3.24Å; Y43-S106 PolarHBondContact O-OG 3.42Å
44	A	71.9	Confident	76.2	Confident	36 Å²	36	64.7 Å²	64.7	30%	0.298	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-17.8	169.3	0	0	0	0	0	112.1	D41 S42 S106 K107	D41-A44 WeakPolarHBondContact O-CB 3.38Å; D41-A44 PolarHBondContact O-N 3.41Å; D41-A44 VanDerWaalsContact O-N 3.1Å; S42-A44 PolarHBondContact O-N 2.89Å; A44-S106 WeakPolarHBondContact CA-OG 3.34Å; A44-S106 PolarHBondContact N-OG 3.18Å; A44-S106 VanDerWaalsContact N-OG 3.13Å; A44-K107 HydrophobicContact CB-CB 4.12Å
45	H	80.7	Confident	78.2	Confident	109 Å²	109	61.9 Å²	61.9	51%	0.505	31%	0.306	S	S	.	.	S	Bend	trans	-83.9	138.4	-178.7	-166.3	-94.9	0	0	0	111.5	S42 Y43 G47 I48 H49	S42-H45 VanDerWaalsContact O-CB 3.31Å; S42-H45 WeakPolarHBondContact O-CB 3.27Å; S42-H45 PolarHBondContact O-N 3.45Å; Y43-H45 VanDerWaalsContact C-N 3.28Å; H45-G47 VanDerWaalsContact C-N 3.25Å; H45-G47 PolarHBondContact ND1-N 3.23Å; H45-G47 VanDerWaalsContact ND1-N 3.14Å; H45-G47 PolarHBondContact O-N 3.33Å; H45-I48 WeakPolarHBondContact O-CG2 3.44Å; H45-H49 PolarHBondContact O-CD2 3Å
46	F	81.8	Confident	80.1	Confident	136 Å²	136	66.7 Å²	66.7	60%	0.596	33%	0.325	S	S	*	.	H	α-helix	trans	-66.3	-26.5	-176.7	70.2	-87.7	0	0	0	113.5	I48 H49 E50	F46-I48 PolarHBondContact O-N 2.91Å; F46-H49 PolarHBondContact O-N 3.17Å; F46-E50 PolarHBondContact O-N 3.38Å
47	G	84.2	Confident	82	Confident	26 Å²	26	65 Å²	65	27%	0.268	32%	0.32	S	S	.	.	H	α-helix	trans	-59.6	-41.9	-174.5	0	0	0	0	0	113.7	H45 E50 E51	H45-G47 VanDerWaalsContact C-N 3.25Å; H45-G47 PolarHBondContact ND1-N 3.23Å; H45-G47 VanDerWaalsContact ND1-N 3.14Å; H45-G47 PolarHBondContact O-N 3.33Å; G47-E50 WeakPolarHBondContact O-CB 3.31Å; G47-E50 PolarHBondContact O-N 3.33Å; G47-E51 PolarHBondContact O-N 2.96Å; G47-E51 VanDerWaalsContact O-N 3.1Å
48	I	86.2	Confident	83.8	Confident	36 Å²	36	62.2 Å²	62.2	19%	0.185	30%	0.303	C	S	.	.	H	α-helix	trans	-67.7	-39.2	177.9	-170.5	63.2	0	0	0	111.1	Y43 H45 F46 E50 E51 M52	Y43-I48 HydrophobicContact CD1-CG2 4.24Å; Y43-I48 HydrophobicContact CE1-CG1 4.34Å; Y43-I48 HydrophobicContact CG-CG2 4.49Å; H45-I48 WeakPolarHBondContact O-CG2 3.44Å; F46-I48 PolarHBondContact O-N 2.91Å; I48-E50 VanDerWaalsContact C-N 3.31Å; I48-E50 PolarHBondContact O-N 2.96Å; I48-E51 PolarHBondContact O-N 3.45Å; I48-M52 HydrophobicContact CD1-CE 4.44Å; I48-M52 HydrophobicContact CG1-CE 4.13Å; I48-M52 VanDerWaalsContact O-CB 3.25Å; I48-M52 WeakPolarHBondContact O-CB 3.42Å; I48-M52 VanDerWaalsContact O-CG 3.26Å; I48-M52 WeakPolarHBondContact O-CG 3.39Å; I48-M52 PolarHBondContact O-N 2.95Å
49	H	87.1	Confident	85.5	Confident	13 Å²	13	55.1 Å²	55.1	6%	0.06	28%	0.277	C	S	.	.	H	α-helix	trans	-66.6	-33.2	175.5	-66.8	-71.7	0	0	0	112.3	Y43 H45 F46 L53 T85	Y43-H49 PolarHBondContact O-NE2 3.47Å; H45-H49 PolarHBondContact O-CD2 3Å; F46-H49 PolarHBondContact O-N 3.17Å; H49-L53 VanDerWaalsContact O-CB 3.24Å; H49-L53 WeakPolarHBondContact O-CB 3.22Å; H49-L53 WeakPolarHBondContact O-CD1 3.16Å; H49-L53 WeakPolarHBondContact O-CG 3.47Å; H49-L53 PolarHBondContact O-N 3.18Å; H49-T85 HydrophobicContact CB-CG2 3.84Å
50	E	93	Very high	87.2	Confident	84 Å²	84	57.2 Å²	57.2	39%	0.393	29%	0.289	S	S	.	.	H	α-helix	trans	-65.9	-47.3	175.7	-177.1	178.8	175	0	0	111.6	F46 G47 I48 L53 K54	F46-E50 PolarHBondContact O-N 3.38Å; G47-E50 WeakPolarHBondContact O-CB 3.31Å; G47-E50 PolarHBondContact O-N 3.33Å; I48-E50 VanDerWaalsContact C-N 3.31Å; I48-E50 PolarHBondContact O-N 2.96Å; E50-L53 PolarHBondContact O-N 3.26Å; E50-K54 HydrophobicContact CG-CD 3.98Å; E50-K54 HydrophobicContact CG-CG 4.5Å; E50-K54 VanDerWaalsContact O-CB 3.29Å; E50-K54 WeakPolarHBondContact O-CB 3.33Å; E50-K54 VanDerWaalsContact O-CG 3.3Å; E50-K54 WeakPolarHBondContact O-CG 3.37Å; E50-K54 PolarHBondContact O-N 2.8Å; E50-K54 VanDerWaalsContact OE1-CE 3.29Å; E50-K54 WeakPolarHBondContact OE1-CE 3.26Å; E50-K54 IonicContact OE1-NZ 3.47Å; E50-K54 PolarHBondContact OE1-NZ 3.38Å
51	E	92.3	Very high	88.7	Confident	73 Å²	73	56.8 Å²	56.8	34%	0.341	29%	0.289	S	S	.	.	H	α-helix	trans	-57.9	-50.8	174.8	177.9	172.1	-159.2	0	0	111	G47 I48 L53 K54 D55 H317	G47-E51 PolarHBondContact O-N 2.96Å; G47-E51 VanDerWaalsContact O-N 3.1Å; I48-E51 PolarHBondContact O-N 3.45Å; E51-L53 PolarHBondContact O-N 3.32Å; E51-K54 PolarHBondContact O-N 3Å; E51-D55 PolarHBondContact O-N 3.27Å; E51-D55 VanDerWaalsContact O-N 3.07Å; E51-H317 HydrophobicContact CG-CB 3.94Å
52	M	91.2	Very high	90	Very high	15 Å²	15	52.1 Å²	52.1	7%	0.074	26%	0.264	C	S	.	.	H	α-helix	trans	-56.1	-46.6	176.7	-83.1	-166.6	177	0	0	113	Y43 I48 D55 R58 T59	Y43-M52 HydrophobicContact CE1-CE 3.47Å; Y43-M52 VanDerWaalsContact CE1-CE 3.47Å; Y43-M52 HydrophobicContact CE1-SD 4.03Å; Y43-M52 VanDerWaalsContact OH-CE 3.23Å; Y43-M52 WeakPolarHBondContact OH-CE 3.39Å; I48-M52 HydrophobicContact CD1-CE 4.44Å; I48-M52 HydrophobicContact CG1-CE 4.13Å; I48-M52 VanDerWaalsContact O-CB 3.25Å; I48-M52 WeakPolarHBondContact O-CB 3.42Å; I48-M52 VanDerWaalsContact O-CG 3.26Å; I48-M52 WeakPolarHBondContact O-CG 3.39Å; I48-M52 PolarHBondContact O-N 2.95Å; M52-D55 PolarHBondContact O-N 2.87Å; M52-R58 VanDerWaalsContact CB-NH1 3.28Å; M52-R58 PolarHBondContact O-NE 2.94Å; M52-R58 VanDerWaalsContact O-NE 3.1Å; M52-R58 PolarHBondContact O-NH2 3.44Å; M52-R58 PolarHBondContact SD-NH1 2.65Å; M52-R58 VanDerWaalsContact SD-NH1 3.37Å; M52-T59 PolarHBondContact O-OG1 2.83Å
53	L	94.2	Very high	91.2	Very high	70 Å²	70	54.5 Å²	54.5	37%	0.366	27%	0.266	S	S	.	.	H	α-helix	trans	-74.6	-27.8	-179.2	-73.1	170.5	0	0	0	112.9	H49 E50 E51 D55 T85 I87	H49-L53 VanDerWaalsContact O-CB 3.24Å; H49-L53 WeakPolarHBondContact O-CB 3.22Å; H49-L53 WeakPolarHBondContact O-CD1 3.16Å; H49-L53 WeakPolarHBondContact O-CG 3.47Å; H49-L53 PolarHBondContact O-N 3.18Å; E50-L53 PolarHBondContact O-N 3.26Å; E51-L53 PolarHBondContact O-N 3.32Å; L53-D55 VanDerWaalsContact C-N 3.32Å; L53-T85 HydrophobicContact CD1-CG2 4.28Å; L53-I87 HydrophobicContact CD2-CB 4.02Å; L53-I87 HydrophobicContact CD2-CG1 3.98Å; L53-I87 HydrophobicContact CD2-CG2 3.9Å
54	K	96.4	Very high	92.2	Very high	142 Å²	142	54.7 Å²	54.7	62%	0.617	27%	0.27	S	S	*	.	H	α-helix	trans	-76.1	-18.2	174.1	-78.2	178.1	171.9	174.6	0	113.2	E50 E51 E56	E50-K54 HydrophobicContact CG-CD 3.98Å; E50-K54 HydrophobicContact CG-CG 4.5Å; E50-K54 VanDerWaalsContact O-CB 3.29Å; E50-K54 WeakPolarHBondContact O-CB 3.33Å; E50-K54 VanDerWaalsContact O-CG 3.3Å; E50-K54 WeakPolarHBondContact O-CG 3.37Å; E50-K54 PolarHBondContact O-N 2.8Å; E50-K54 VanDerWaalsContact OE1-CE 3.29Å; E50-K54 WeakPolarHBondContact OE1-CE 3.26Å; E50-K54 IonicContact OE1-NZ 3.47Å; E50-K54 PolarHBondContact OE1-NZ 3.38Å; E51-K54 PolarHBondContact O-N 3Å; K54-E56 VanDerWaalsContact C-N 3.32Å; K54-E56 PolarHBondContact O-N 3.17Å
55	D	96.8	Very high	93.5	Very high	4 Å²	4	53 Å²	53	2%	0.021	26%	0.256	C	S	.	.			trans	-67	92.2	167.2	-171.9	-21.8	0	0	0	110	E51 M52 L53 V57 R58 T59 T316 H317	E51-D55 PolarHBondContact O-N 3.27Å; E51-D55 VanDerWaalsContact O-N 3.07Å; M52-D55 PolarHBondContact O-N 2.87Å; L53-D55 VanDerWaalsContact C-N 3.32Å; D55-V57 PolarHBondContact OD1-N 3.44Å; D55-V57 VanDerWaalsContact OD1-N 3.15Å; D55-R58 HydrophobicContact CB-CB 4Å; D55-R58 VanDerWaalsContact CG-CB 3.4Å; D55-R58 WeakPolarHBondContact OD1-CB 3.32Å; D55-R58 PolarHBondContact OD1-N 2.75Å; D55-T59 VanDerWaalsContact O-CB 3.31Å; D55-T59 WeakPolarHBondContact O-CB 3.26Å; D55-T59 PolarHBondContact O-N 2.79Å; D55-T59 PolarHBondContact O-OG1 3.02Å; D55-T316 VanDerWaalsContact OD2-CA 3.3Å; D55-T316 WeakPolarHBondContact OD2-CA 3.46Å; D55-T316 WeakPolarHBondContact OD2-CB 3.3Å; D55-H317 HydrophobicContact CB-CB 4.48Å; D55-H317 IonicContact OD2-CE1 3.93Å; D55-H317 IonicContact OD2-CG 3.82Å; D55-H317 PolarHBondContact OD2-N 3.46Å; D55-H317 IonicContact OD2-ND1 3.51Å; D55-H317 PolarHBondContact OD2-ND1 3.1Å
56	E	97.2	Very high	94.3	Very high	130 Å²	130	47.8 Å²	47.8	61%	0.607	23%	0.232	S	C	*	.	H	α-helix	trans	-67.3	-35.2	178.9	-70.5	-167.4	171.2	0	0	112.3	K54 R58 L60	K54-E56 VanDerWaalsContact C-N 3.32Å; K54-E56 PolarHBondContact O-N 3.17Å; E56-R58 VanDerWaalsContact C-N 3.35Å; E56-L60 HydrophobicContact CB-CD1 3.96Å; E56-L60 HydrophobicContact CB-CG 4.27Å; E56-L60 HydrophobicContact CG-CD1 4.49Å; E56-L60 WeakPolarHBondContact O-CA 3.48Å; E56-L60 WeakPolarHBondContact O-CB 3.32Å; E56-L60 WeakPolarHBondContact O-CG 3.23Å; E56-L60 PolarHBondContact O-N 3.26Å
57	V	98	Very high	95.1	Very high	33 Å²	33	44.9 Å²	44.9	20%	0.2	22%	0.218	C	C	.	.	H	α-helix	trans	-61.9	-49.4	179.8	173.6	0	0	0	0	108.8	D55 T61 F307 R314 T316	D55-V57 PolarHBondContact OD1-N 3.44Å; D55-V57 VanDerWaalsContact OD1-N 3.15Å; V57-T61 VanDerWaalsContact O-CB 3.22Å; V57-T61 WeakPolarHBondContact O-CB 3.46Å; V57-T61 PolarHBondContact O-N 2.94Å; V57-T61 PolarHBondContact O-OG1 3.44Å; V57-F307 HydrophobicContact CG1-CB 3.74Å; V57-F307 HydrophobicContact CG1-CD2 4.33Å; V57-F307 HydrophobicContact CG1-CG 4.19Å; V57-R314 HydrophobicContact CG2-CB 3.7Å; V57-T316 HydrophobicContact CB-CG2 3.95Å; V57-T316 HydrophobicContact CG1-CG2 3.8Å
58	R	97.9	Very high	95.7	Very high	17 Å²	17	49.8 Å²	49.8	6%	0.064	23%	0.234	C	C	.	.	H	α-helix	trans	-59.3	-62.8	174.1	-178.5	-171	86.2	146.4	11	111.1	M52 D55 E56 L60 T61 Y62 E167 W318	M52-R58 VanDerWaalsContact CB-NH1 3.28Å; M52-R58 PolarHBondContact O-NE 2.94Å; M52-R58 VanDerWaalsContact O-NE 3.1Å; M52-R58 PolarHBondContact O-NH2 3.44Å; M52-R58 PolarHBondContact SD-NH1 2.65Å; M52-R58 VanDerWaalsContact SD-NH1 3.37Å; D55-R58 HydrophobicContact CB-CB 4Å; D55-R58 VanDerWaalsContact CG-CB 3.4Å; D55-R58 WeakPolarHBondContact OD1-CB 3.32Å; D55-R58 PolarHBondContact OD1-N 2.75Å; E56-R58 VanDerWaalsContact C-N 3.35Å; R58-L60 PolarHBondContact O-N 2.82Å; R58-T61 PolarHBondContact O-N 3.41Å; R58-Y62 HydrophobicContact CG-CD2 4.45Å; R58-Y62 HydrophobicContact CG-CE2 4.4Å; R58-Y62 WeakPolarHBondContact O-CD2 3.33Å; R58-Y62 PolarHBondContact O-N 2.92Å; R58-E167 HydrophobicContact CG-CG 4.36Å; R58-E167 IonicContact CZ-OE2 2.6Å; R58-E167 IonicContact NH1-OE2 2.72Å; R58-E167 PolarHBondContact NH1-OE2 2.73Å; R58-W318 HydrophobicContact CB-CH2 4.11Å; R58-W318 HydrophobicContact CB-CZ3 3.95Å; R58-W318 HydrophobicContact CG-CH2 3.58Å; R58-W318 HydrophobicContact CG-CZ3 3.96Å
59	T	97.5	Very high	96.3	Very high	16 Å²	16	48.2 Å²	48.2	10%	0.098	23%	0.225	C	C	.	.	H	α-helix	trans	-66.9	-40.2	-165.9	-54.1	0	0	0	0	112	M52 D55 R63 I87 F91	M52-T59 PolarHBondContact O-OG1 2.83Å; D55-T59 VanDerWaalsContact O-CB 3.31Å; D55-T59 WeakPolarHBondContact O-CB 3.26Å; D55-T59 PolarHBondContact O-N 2.79Å; D55-T59 PolarHBondContact O-OG1 3.02Å; T59-R63 WeakPolarHBondContact O-CB 3.35Å; T59-R63 PolarHBondContact O-N 3.37Å; T59-I87 HydrophobicContact CG2-CG1 4.47Å; T59-F91 HydrophobicContact CG2-CE2 4.09Å; T59-F91 HydrophobicContact CG2-CZ 4.12Å
60	L	98.1	Very high	96.7	Very high	55 Å²	55	49.6 Å²	49.6	29%	0.288	24%	0.236	S	C	.	.	H	α-helix	trans	-72.4	-30.4	177.9	-58.5	179.1	0	0	0	112.2	E56 R58 R63 N64	E56-L60 HydrophobicContact CB-CD1 3.96Å; E56-L60 HydrophobicContact CB-CG 4.27Å; E56-L60 HydrophobicContact CG-CD1 4.49Å; E56-L60 WeakPolarHBondContact O-CA 3.48Å; E56-L60 WeakPolarHBondContact O-CB 3.32Å; E56-L60 WeakPolarHBondContact O-CG 3.23Å; E56-L60 PolarHBondContact O-N 3.26Å; R58-L60 PolarHBondContact O-N 2.82Å; L60-R63 PolarHBondContact O-N 3.25Å; L60-N64 WeakPolarHBondContact O-CB 3.28Å; L60-N64 PolarHBondContact O-N 2.99Å; L60-N64 PolarHBondContact O-ND2 3.45Å; L60-N64 PolarHBondContact O-OD1 3.22Å
61	T	98.4	Very high	96.9	Very high	19 Å²	19	51 Å²	51	12%	0.117	24%	0.242	C	C	.	.	H	α-helix	trans	-66.1	-46.2	177.2	-58.5	0	0	0	0	110.9	V57 R58 N64 A65 F298 I305 F307	V57-T61 VanDerWaalsContact O-CB 3.22Å; V57-T61 WeakPolarHBondContact O-CB 3.46Å; V57-T61 PolarHBondContact O-N 2.94Å; V57-T61 PolarHBondContact O-OG1 3.44Å; R58-T61 PolarHBondContact O-N 3.41Å; T61-N64 PolarHBondContact O-N 3.44Å; T61-A65 WeakPolarHBondContact O-CB 3.3Å; T61-A65 PolarHBondContact O-N 3.12Å; T61-F298 HydrophobicContact CG2-CD2 4.2Å; T61-F298 HydrophobicContact CG2-CE2 3.66Å; T61-I305 HydrophobicContact CG2-CG2 3.64Å; T61-F307 HydrophobicContact CG2-CD1 3.94Å
62	Y	98.5	Very high	97.1	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.008	23%	0.233	C	C	.	.	H	α-helix	trans	-58.9	-48.7	171.9	-83.6	-92.9	0	0	0	111.8	R58 N64 A65 I66 L88 S166 E167 M169 P198 F298	R58-Y62 HydrophobicContact CG-CD2 4.45Å; R58-Y62 HydrophobicContact CG-CE2 4.4Å; R58-Y62 WeakPolarHBondContact O-CD2 3.33Å; R58-Y62 PolarHBondContact O-N 2.92Å; Y62-N64 VanDerWaalsContact C-N 3.29Å; Y62-N64 PolarHBondContact O-N 3.07Å; Y62-A65 PolarHBondContact O-N 3.3Å; Y62-I66 VanDerWaalsContact O-CG1 3.27Å; Y62-I66 WeakPolarHBondContact O-CG1 3.07Å; Y62-I66 PolarHBondContact O-N 2.96Å; Y62-L88 HydrophobicContact CD1-CD1 3.81Å; Y62-L88 HydrophobicContact CD1-CD2 3.8Å; Y62-L88 HydrophobicContact CD1-CG 4.47Å; Y62-L88 HydrophobicContact CE1-CD1 3.87Å; Y62-L88 HydrophobicContact CG-CD1 4.41Å; Y62-L88 HydrophobicContact CG-CD2 3.75Å; Y62-S166 WeakPolarHBondContact CE1-O 3.21Å; Y62-S166 PolarHBondContact OH-O 3.48Å; Y62-E167 HydrophobicContact CE2-CB 4.49Å; Y62-E167 HydrophobicContact CE2-CG 4.01Å; Y62-E167 WeakPolarHBondContact OH-CA 3.37Å; Y62-M169 HydrophobicContact CE2-CE 4.2Å; Y62-M169 VanDerWaalsContact OH-CE 3.28Å; Y62-M169 WeakPolarHBondContact OH-CE 3.48Å; Y62-P198 WeakPolarHBondContact OH-CD 3.5Å; Y62-F298 AromaticContact CD1-CE1 3.96Å; Y62-F298 HydrophobicContact CD1-CE1 3.96Å; Y62-F298 AromaticContact CD1-CZ 3.97Å; Y62-F298 HydrophobicContact CD1-CZ 3.97Å; Y62-F298 HydrophobicContact CD2-CZ 4.14Å; Y62-F298 AromaticContact CE1-CE1 3.99Å; Y62-F298 HydrophobicContact CE1-CE1 3.99Å; Y62-F298 AromaticContact CE1-CZ 3.99Å; Y62-F298 HydrophobicContact CE1-CZ 3.99Å; Y62-F298 HydrophobicContact CE2-CZ 4.14Å; Y62-F298 HydrophobicContact CG-CE1 4.44Å; Y62-F298 HydrophobicContact CG-CZ 4.06Å
63	R	98.2	Very high	97.4	Very high	88 Å²	88	48.1 Å²	48.1	33%	0.332	23%	0.23	S	C	.	.	H	α-helix	trans	-55.5	-46.7	178.2	-170.7	-169.2	70.7	-175.7	1.4	111.4	T59 L60 I66 Y67 F91	T59-R63 WeakPolarHBondContact O-CB 3.35Å; T59-R63 PolarHBondContact O-N 3.37Å; L60-R63 PolarHBondContact O-N 3.25Å; R63-I66 PolarHBondContact O-N 3.11Å; R63-Y67 HydrophobicContact CG-CD1 4.37Å; R63-Y67 HydrophobicContact CG-CD2 3.78Å; R63-Y67 HydrophobicContact CG-CE1 4.36Å; R63-Y67 HydrophobicContact CG-CE2 3.78Å; R63-Y67 HydrophobicContact CG-CG 4.1Å; R63-Y67 VanDerWaalsContact O-CB 3.27Å; R63-Y67 WeakPolarHBondContact O-CB 3.49Å; R63-Y67 PolarHBondContact O-N 2.83Å; R63-F91 HydrophobicContact CB-CD2 3.9Å; R63-F91 HydrophobicContact CB-CE1 4.26Å; R63-F91 HydrophobicContact CB-CE2 3.62Å; R63-F91 HydrophobicContact CB-CG 4.35Å; R63-F91 HydrophobicContact CB-CZ 3.81Å; R63-F91 HydrophobicContact CG-CD1 3.98Å; R63-F91 HydrophobicContact CG-CD2 4.25Å; R63-F91 HydrophobicContact CG-CE1 3.82Å; R63-F91 HydrophobicContact CG-CE2 4.1Å; R63-F91 HydrophobicContact CG-CG 4.2Å; R63-F91 HydrophobicContact CG-CZ 3.89Å
64	N	97.8	Very high	97.4	Very high	45 Å²	45	53.4 Å²	53.4	24%	0.241	25%	0.245	C	C	.	.	H	α-helix	trans	-69.7	-39.7	-178.3	-67.4	-13.6	0	0	0	111.3	L60 T61 Y62 I66 H68	L60-N64 WeakPolarHBondContact O-CB 3.28Å; L60-N64 PolarHBondContact O-N 2.99Å; L60-N64 PolarHBondContact O-ND2 3.45Å; L60-N64 PolarHBondContact O-OD1 3.22Å; T61-N64 PolarHBondContact O-N 3.44Å; Y62-N64 VanDerWaalsContact C-N 3.29Å; Y62-N64 PolarHBondContact O-N 3.07Å; N64-I66 PolarHBondContact O-N 3.36Å; N64-H68 VanDerWaalsContact O-CB 3.23Å; N64-H68 WeakPolarHBondContact O-CB 3.46Å; N64-H68 PolarHBondContact O-N 3.36Å
65	A	98.2	Very high	97.3	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-57.4	-38.8	173.2	0	0	0	0	0	111.3	T61 Y62 N69 F197 F298 I305	T61-A65 WeakPolarHBondContact O-CB 3.3Å; T61-A65 PolarHBondContact O-N 3.12Å; Y62-A65 PolarHBondContact O-N 3.3Å; A65-N69 WeakPolarHBondContact O-CB 3.49Å; A65-N69 PolarHBondContact O-ND2 2.82Å; A65-F197 HydrophobicContact CB-CD1 4.18Å; A65-F197 HydrophobicContact CB-CE1 4.22Å; A65-F298 HydrophobicContact CB-CB 4.23Å; A65-F298 HydrophobicContact CB-CD1 3.67Å; A65-F298 HydrophobicContact CB-CD2 4.23Å; A65-F298 HydrophobicContact CB-CE1 3.99Å; A65-F298 HydrophobicContact CB-CG 3.78Å; A65-F298 HydrophobicContact CB-CZ 4.42Å; A65-I305 HydrophobicContact CB-CG2 3.99Å
66	I	98.1	Very high	97.3	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-80	-52	179.6	-62.4	167.8	0	0	0	111.5	Y62 R63 N64 N69 S70 F73 F91 A95	Y62-I66 VanDerWaalsContact O-CG1 3.27Å; Y62-I66 WeakPolarHBondContact O-CG1 3.07Å; Y62-I66 PolarHBondContact O-N 2.96Å; R63-I66 PolarHBondContact O-N 3.11Å; N64-I66 PolarHBondContact O-N 3.36Å; I66-N69 CarbonylContact O-C 3.54Å; I66-N69 VanDerWaalsContact O-C 3.24Å; I66-N69 PolarHBondContact O-N 3.39Å; I66-S70 PolarHBondContact O-N 3.32Å; I66-S70 VanDerWaalsContact O-N 3.11Å; I66-F73 HydrophobicContact CB-CE2 4.15Å; I66-F73 HydrophobicContact CB-CZ 4.2Å; I66-F73 HydrophobicContact CG1-CE1 4.17Å; I66-F73 HydrophobicContact CG1-CE2 4.08Å; I66-F73 HydrophobicContact CG1-CZ 3.66Å; I66-F73 HydrophobicContact CG2-CD1 4.18Å; I66-F73 HydrophobicContact CG2-CD2 4.06Å; I66-F73 HydrophobicContact CG2-CE1 4.11Å; I66-F73 HydrophobicContact CG2-CE2 4Å; I66-F73 HydrophobicContact CG2-CG 4.18Å; I66-F73 HydrophobicContact CG2-CZ 4.05Å; I66-F91 HydrophobicContact CD1-CB 3.78Å; I66-F91 HydrophobicContact CG2-CB 4.31Å; I66-A95 HydrophobicContact CG2-CB 3.5Å; I66-A95 VanDerWaalsContact CG2-CB 3.5Å
67	Y	97.4	Very high	97.3	Very high	75 Å²	75	46 Å²	46	29%	0.294	22%	0.223	S	C	.	.	H	α-helix	trans	-71.3	-44.3	-172	-76.4	11.8	0	0	0	112.8	R63 N69 S70 F91 H94 A95	R63-Y67 HydrophobicContact CG-CD1 4.37Å; R63-Y67 HydrophobicContact CG-CD2 3.78Å; R63-Y67 HydrophobicContact CG-CE1 4.36Å; R63-Y67 HydrophobicContact CG-CE2 3.78Å; R63-Y67 HydrophobicContact CG-CG 4.1Å; R63-Y67 VanDerWaalsContact O-CB 3.27Å; R63-Y67 WeakPolarHBondContact O-CB 3.49Å; R63-Y67 PolarHBondContact O-N 2.83Å; Y67-N69 PolarHBondContact O-N 3.23Å; Y67-S70 PolarHBondContact O-N 2.98Å; Y67-F91 HydrophobicContact CE1-CB 3.92Å; Y67-F91 HydrophobicContact CE1-CD1 4.13Å; Y67-F91 HydrophobicContact CE1-CG 4.33Å; Y67-F91 WeakPolarHBondContact CE1-O 3.14Å; Y67-F91 AromaticContact CZ-CD1 3.93Å; Y67-H94 HydrophobicContact CE1-CB 3.94Å; Y67-H94 AromaticContact CZ-CD2 3.63Å; Y67-H94 WeakPolarHBondContact OH-CB 3.07Å; Y67-H94 PolarHBondContact OH-CD2 3.37Å; Y67-A95 HydrophobicContact CD1-CB 4.36Å
68	H	97.5	Very high	97.3	Very high	129 Å²	129	44.4 Å²	44.4	60%	0.597	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-12	178.2	-58.1	157.3	0	0	0	112.3	N64	N64-H68 VanDerWaalsContact O-CB 3.23Å; N64-H68 WeakPolarHBondContact O-CB 3.46Å; N64-H68 PolarHBondContact O-N 3.36Å
69	N	97.8	Very high	97.3	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.016	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.9	34.9	177.7	-51.3	-84.7	0	0	0	111.7	A65 I66 Y67 H71 L72 C301 H302	A65-N69 WeakPolarHBondContact O-CB 3.49Å; A65-N69 PolarHBondContact O-ND2 2.82Å; I66-N69 CarbonylContact O-C 3.54Å; I66-N69 VanDerWaalsContact O-C 3.24Å; I66-N69 PolarHBondContact O-N 3.39Å; Y67-N69 PolarHBondContact O-N 3.23Å; N69-H71 PolarHBondContact O-N 3.31Å; N69-L72 HydrophobicContact CB-CD1 3.72Å; N69-L72 HydrophobicContact CB-CG 4.07Å; N69-L72 VanDerWaalsContact O-CB 3.3Å; N69-L72 WeakPolarHBondContact O-CB 3.42Å; N69-L72 PolarHBondContact O-N 3.33Å; N69-C301 PolarHBondContact ND2-SG 2.84Å; N69-C301 WeakPolarHBondContact OD1-CA 3.49Å; N69-H302 PolarHBondContact OD1-N 2.64Å
70	S	95.7	Very high	97.4	Very high	41 Å²	41	43 Å²	43	29%	0.287	21%	0.206	S	C	.	.	H	α-helix	trans	-55.4	-23.5	-179.9	65.6	0	0	0	0	113.8	I66 Y67 L72 F73 R74	I66-S70 PolarHBondContact O-N 3.32Å; I66-S70 VanDerWaalsContact O-N 3.11Å; Y67-S70 PolarHBondContact O-N 2.98Å; S70-L72 PolarHBondContact O-N 2.98Å; S70-F73 PolarHBondContact O-N 2.77Å; S70-R74 WeakPolarHBondContact O-CB 3.27Å; S70-R74 PolarHBondContact O-N 3.34Å
71	H	96.7	Very high	97.4	Very high	113 Å²	113	40.3 Å²	40.3	52%	0.523	19%	0.193	S	C	.	.	H	α-helix	trans	-63.2	-25.9	173.8	63.4	-84.4	0	0	0	113	N69	N69-H71 PolarHBondContact O-N 3.31Å
72	L	97.4	Very high	97.3	Very high	29 Å²	29	40.2 Å²	40.2	15%	0.152	20%	0.196	C	C	.	.	H	α-helix	trans	-75.6	-34.1	173.2	-58.3	179.9	0	0	0	111.9	N69 S70 K76 M195 F197 K300	N69-L72 HydrophobicContact CB-CD1 3.72Å; N69-L72 HydrophobicContact CB-CG 4.07Å; N69-L72 VanDerWaalsContact O-CB 3.3Å; N69-L72 WeakPolarHBondContact O-CB 3.42Å; N69-L72 PolarHBondContact O-N 3.33Å; S70-L72 PolarHBondContact O-N 2.98Å; L72-K76 WeakPolarHBondContact O-CG 3.4Å; L72-M195 HydrophobicContact CB-CE 4Å; L72-M195 HydrophobicContact CB-SD 4.27Å; L72-M195 HydrophobicContact CD1-SD 4.18Å; L72-M195 HydrophobicContact CD2-CE 4.45Å; L72-M195 HydrophobicContact CD2-SD 4.06Å; L72-M195 HydrophobicContact CG-SD 4.4Å; L72-F197 HydrophobicContact CD1-CZ 3.97Å; L72-K300 HydrophobicContact CD1-CB 4.4Å; L72-K300 WeakPolarHBondContact CD1-O 3.35Å
73	F	97.2	Very high	97.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-90.3	-27	-175.1	-72	-96.2	0	0	0	113.7	I66 S70 G75 K76 V78 A92 A95 A97 I163 V165 F197	I66-F73 HydrophobicContact CB-CE2 4.15Å; I66-F73 HydrophobicContact CB-CZ 4.2Å; I66-F73 HydrophobicContact CG1-CE1 4.17Å; I66-F73 HydrophobicContact CG1-CE2 4.08Å; I66-F73 HydrophobicContact CG1-CZ 3.66Å; I66-F73 HydrophobicContact CG2-CD1 4.18Å; I66-F73 HydrophobicContact CG2-CD2 4.06Å; I66-F73 HydrophobicContact CG2-CE1 4.11Å; I66-F73 HydrophobicContact CG2-CE2 4Å; I66-F73 HydrophobicContact CG2-CG 4.18Å; I66-F73 HydrophobicContact CG2-CZ 4.05Å; S70-F73 PolarHBondContact O-N 2.77Å; F73-G75 PolarHBondContact O-N 3.06Å; F73-G75 VanDerWaalsContact O-N 3.17Å; F73-K76 VanDerWaalsContact O-CB 3.28Å; F73-K76 WeakPolarHBondContact O-CB 3.31Å; F73-K76 PolarHBondContact O-N 3.01Å; F73-V78 HydrophobicContact CD1-CG2 3.94Å; F73-V78 HydrophobicContact CE1-CG2 4.34Å; F73-A92 HydrophobicContact CD1-CB 4.24Å; F73-A92 HydrophobicContact CE1-CB 4.36Å; F73-A95 HydrophobicContact CB-CB 3.95Å; F73-A95 HydrophobicContact CG-CB 4.27Å; F73-A97 WeakPolarHBondContact O-CA 3.31Å; F73-I163 HydrophobicContact CD1-CD1 3.64Å; F73-I163 HydrophobicContact CD2-CD1 4.31Å; F73-I163 HydrophobicContact CE1-CD1 3.72Å; F73-I163 HydrophobicContact CE1-CG2 3.93Å; F73-I163 HydrophobicContact CE2-CD1 4.36Å; F73-I163 HydrophobicContact CG-CD1 3.94Å; F73-I163 HydrophobicContact CZ-CD1 4.07Å; F73-I163 HydrophobicContact CZ-CG2 4.19Å; F73-V165 HydrophobicContact CE1-CG1 4.02Å; F73-V165 HydrophobicContact CZ-CG1 4.33Å; F73-F197 HydrophobicContact CE2-CD1 4.43Å; F73-F197 AromaticContact CE2-CE1 3.88Å; F73-F197 HydrophobicContact CE2-CE1 3.88Å; F73-F197 HydrophobicContact CE2-CE2 4.35Å; F73-F197 AromaticContact CE2-CZ 3.85Å; F73-F197 HydrophobicContact CE2-CZ 3.85Å; F73-F197 HydrophobicContact CZ-CD1 4.06Å; F73-F197 HydrophobicContact CZ-CD2 4.28Å; F73-F197 AromaticContact CZ-CE1 3.96Å; F73-F197 HydrophobicContact CZ-CE1 3.96Å; F73-F197 HydrophobicContact CZ-CE2 4.16Å; F73-F197 HydrophobicContact CZ-CG 4.25Å; F73-F197 HydrophobicContact CZ-CZ 4.02Å
74	R	95.3	Very high	97.1	Very high	181 Å²	181	36.7 Å²	36.7	68%	0.683	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	121.8	-174.2	-172.3	176.8	-66.8	-159.1	-0	112	S70 K76 G96	S70-R74 WeakPolarHBondContact O-CB 3.27Å; S70-R74 PolarHBondContact O-N 3.34Å; R74-K76 PolarHBondContact O-N 3.41Å; R74-G96 CarbonylContact C-O 3.54Å; R74-G96 VanDerWaalsContact CA-O 3.31Å; R74-G96 WeakPolarHBondContact CA-O 3.46Å
75	G	93.4	Very high	97	Very high	44 Å²	44	35.4 Å²	35.4	45%	0.454	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	3.9	178.2	0	0	0	0	0	114.9	F73 G96 R98	F73-G75 PolarHBondContact O-N 3.06Å; F73-G75 VanDerWaalsContact O-N 3.17Å; G75-G96 PolarHBondContact N-O 3.07Å; G75-R98 WeakPolarHBondContact O-CB 3.47Å
76	K	96.1	Very high	96.9	Very high	74 Å²	74	35.4 Å²	35.4	32%	0.322	18%	0.18	S	C	.	.			trans	-88.7	161.2	-178.3	-61.1	-51	-172.3	167.2	0	113.1	L72 F73 R74 R98 R99 D162 I163	L72-K76 WeakPolarHBondContact O-CG 3.4Å; F73-K76 VanDerWaalsContact O-CB 3.28Å; F73-K76 WeakPolarHBondContact O-CB 3.31Å; F73-K76 PolarHBondContact O-N 3.01Å; R74-K76 PolarHBondContact O-N 3.41Å; K76-R98 PolarHBondContact O-N 3.36Å; K76-R99 PolarHBondContact O-N 3.33Å; K76-D162 HydrophobicContact CB-CB 3.91Å; K76-D162 HydrophobicContact CD-CB 3.9Å; K76-D162 HydrophobicContact CG-CB 4.17Å; K76-I163 HydrophobicContact CB-CD1 4.29Å; K76-I163 HydrophobicContact CG-CD1 4.32Å
77	V	97.3	Very high	96.9	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.012	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	125.6	166.7	-177.4	0	0	0	0	108.9	R99 I158 V161 D162 I163	V77-R99 WeakPolarHBondContact CA-O 3.44Å; V77-R99 HydrophobicContact CG1-CB 4.33Å; V77-R99 HydrophobicContact CG2-CB 4.34Å; V77-I158 HydrophobicContact CG1-CD1 3.97Å; V77-I158 HydrophobicContact CG1-CG2 3.91Å; V77-V161 HydrophobicContact CG1-CB 4.28Å; V77-V161 HydrophobicContact CG1-CG1 3.88Å; V77-D162 PolarHBondContact N-OD2 3.32Å; V77-D162 PolarHBondContact O-N 2.88Å; V77-I163 PolarHBondContact O-N 3.33Å
78	V	98.4	Very high	96.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	135.6	-176.9	-173	0	0	0	0	109.8	F73 A92 A97 R99 V100 I101 I163 V165	F73-V78 HydrophobicContact CD1-CG2 3.94Å; F73-V78 HydrophobicContact CE1-CG2 4.34Å; V78-A92 HydrophobicContact CB-CB 4.32Å; V78-A92 HydrophobicContact CG1-CB 4Å; V78-A92 HydrophobicContact CG2-CB 4.23Å; V78-A97 HydrophobicContact CG2-CB 3.73Å; V78-R99 PolarHBondContact N-O 3.39Å; V78-V100 HydrophobicContact CB-CG1 4.35Å; V78-V100 HydrophobicContact CB-CG2 4.31Å; V78-V100 CarbonylContact O-C 3.53Å; V78-V100 VanDerWaalsContact O-CA 3.31Å; V78-V100 WeakPolarHBondContact O-CA 3.29Å; V78-I101 PolarHBondContact O-N 3.24Å; V78-I163 CarbonylContact C-O 3.24Å; V78-I163 WeakPolarHBondContact CA-O 2.91Å; V78-I163 HydrophobicContact CG1-CB 4.28Å; V78-I163 HydrophobicContact CG1-CG2 4.3Å; V78-I163 HydrophobicContact CG2-CB 4.21Å; V78-I163 HydrophobicContact CG2-CD1 4.44Å; V78-V165 HydrophobicContact CG1-CG1 3.9Å; V78-V165 HydrophobicContact CG1-CG2 3.9Å
79	L	98.7	Very high	97	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	126.8	169	-178.3	63.9	0	0	0	109	V81 I101 I103 L154 V161 I163 I164 V165 A185 W189	L79-V81 HydrophobicContact CD2-CG2 3.95Å; L79-V81 HydrophobicContact CG-CG2 3.93Å; L79-I101 CarbonylContact C-O 3.57Å; L79-I101 WeakPolarHBondContact CA-O 3.29Å; L79-I101 HydrophobicContact CD1-CB 4.13Å; L79-I101 HydrophobicContact CD1-CG2 4.04Å; L79-I101 WeakPolarHBondContact CD1-O 3.4Å; L79-I103 HydrophobicContact CD1-CD1 3.74Å; L79-I103 HydrophobicContact CD1-CG1 3.95Å; L79-L154 HydrophobicContact CD1-CD2 4.21Å; L79-V161 HydrophobicContact CB-CB 4.31Å; L79-V161 HydrophobicContact CB-CG1 4.11Å; L79-V161 HydrophobicContact CB-CG2 3.95Å; L79-V161 HydrophobicContact CD2-CG2 4.49Å; L79-I163 PolarHBondContact N-O 2.71Å; L79-I164 HydrophobicContact CB-CG1 4.15Å; L79-I164 HydrophobicContact CD2-CG1 4.22Å; L79-I164 CarbonylContact O-C 3.56Å; L79-I164 WeakPolarHBondContact O-CA 3.48Å; L79-V165 PolarHBondContact O-N 3.36Å; L79-A185 HydrophobicContact CD2-CB 4.04Å; L79-W189 HydrophobicContact CD2-CE3 3.86Å; L79-W189 HydrophobicContact CD2-CZ3 4.48Å
80	D	98.6	Very high	96.9	Very high	2 Å²	2	29 Å²	29	1%	0.011	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	104.6	174.6	-174	5.5	0	0	0	108.7	S83 S89 I101 G102 I103 V165	D80-S83 WeakPolarHBondContact OD2-CB 3.29Å; D80-S89 WeakPolarHBondContact CB-OG 3.3Å; D80-S89 WeakPolarHBondContact OD2-CB 3.45Å; D80-S89 PolarHBondContact OD2-N 2.92Å; D80-S89 PolarHBondContact OD2-OG 3.38Å; D80-I101 PolarHBondContact N-O 2.87Å; D80-G102 WeakPolarHBondContact O-CA 3.17Å; D80-I103 PolarHBondContact O-N 3.34Å; D80-V165 WeakPolarHBondContact CA-O 3.48Å; D80-V165 HydrophobicContact CB-CG2 3.7Å
81	V	98.1	Very high	97	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	116	-174.7	172.8	0	0	0	0	109	L79 V148 I164 V165 S166 T181 V182 A185	L79-V81 HydrophobicContact CD2-CG2 3.95Å; L79-V81 HydrophobicContact CG-CG2 3.93Å; V81-V148 HydrophobicContact CG1-CG2 4.17Å; V81-I164 HydrophobicContact CG2-CG2 4Å; V81-V165 PolarHBondContact N-O 3.1Å; V81-S166 PolarHBondContact O-OG 3.18Å; V81-T181 HydrophobicContact CG1-CG2 3.79Å; V81-V182 HydrophobicContact CB-CG2 4.42Å; V81-V182 HydrophobicContact CG1-CG2 3.95Å; V81-A185 HydrophobicContact CG2-CB 3.74Å
82	G	95.9	Very high	97.1	Very high	17 Å²	17	22.7 Å²	22.7	18%	0.175	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	52	-171	0	0	0	0	0	110.9	G84 I103	G82-G84 PolarHBondContact O-N 2.88Å; G82-G84 VanDerWaalsContact O-N 3.09Å; G82-I103 WeakPolarHBondContact CA-O 3.24Å; G82-I103 PolarHBondContact N-O 2.91Å
83	S	96.9	Very high	97	Very high	6 Å²	6	21.9 Å²	21.9	4%	0.042	12%	0.118	C	C	.	.			trans	-64.8	-18.2	-167	67	0	0	0	0	114.5	D80 T85 G86 I103 E104	D80-S83 WeakPolarHBondContact OD2-CB 3.29Å; S83-T85 PolarHBondContact O-N 2.9Å; S83-G86 WeakPolarHBondContact O-CA 3.36Å; S83-G86 PolarHBondContact O-N 2.85Å; S83-I103 PolarHBondContact N-O 2.86Å; S83-E104 PolarHBondContact N-OE2 3.47Å; S83-E104 WeakPolarHBondContact OG-CB 3.5Å
84	G	95.6	Very high	96.8	Very high	9 Å²	9	28.3 Å²	28.3	9%	0.093	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	-121.2	178.5	0	0	0	0	0	112.2	G82 G86 E104 S112	G82-G84 PolarHBondContact O-N 2.88Å; G82-G84 VanDerWaalsContact O-N 3.09Å; G84-G86 PolarHBondContact O-N 3.45Å; G84-E104 WeakPolarHBondContact CA-OE2 3.18Å; G84-E104 PolarHBondContact N-OE2 3.44Å; G84-S112 VanDerWaalsContact O-CB 3.24Å; G84-S112 WeakPolarHBondContact O-CB 3.36Å; G84-S112 PolarHBondContact O-OG 2.91Å
85	T	95.8	Very high	96.8	Very high	19 Å²	19	20 Å²	20	12%	0.117	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-5.5	176	57	0	0	0	0	114.8	H49 L53 S83 I108 S112	H49-T85 HydrophobicContact CB-CG2 3.84Å; L53-T85 HydrophobicContact CD1-CG2 4.28Å; S83-T85 PolarHBondContact O-N 2.9Å; T85-I108 HydrophobicContact CG2-CG1 4.25Å; T85-S112 VanDerWaalsContact C-OG 3.29Å; T85-S112 PolarHBondContact O-OG 3.31Å
86	G	97	Very high	96.8	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	81.8	12.3	-177.8	0	0	0	0	0	114.2	S83 G84 L88 S89 M90 S112	S83-G86 WeakPolarHBondContact O-CA 3.36Å; S83-G86 PolarHBondContact O-N 2.85Å; G84-G86 PolarHBondContact O-N 3.45Å; G86-L88 PolarHBondContact O-N 3.29Å; G86-S89 WeakPolarHBondContact O-CB 3.4Å; G86-S89 PolarHBondContact O-N 3.25Å; G86-M90 WeakPolarHBondContact O-CG 3.35Å; G86-M90 PolarHBondContact O-N 2.78Å; G86-S112 WeakPolarHBondContact CA-OG 3.47Å; G86-S112 PolarHBondContact N-OG 3.22Å
87	I	98.1	Very high	96.8	Very high	36 Å²	36	16.3 Å²	16.3	19%	0.185	10%	0.1	C	C	.	.	H	α-helix	trans	-61	-43.9	-175.5	-172.6	58.6	0	0	0	113.1	L53 T59 M90 F91	L53-I87 HydrophobicContact CD2-CB 4.02Å; L53-I87 HydrophobicContact CD2-CG1 3.98Å; L53-I87 HydrophobicContact CD2-CG2 3.9Å; T59-I87 HydrophobicContact CG2-CG1 4.47Å; I87-M90 HydrophobicContact CD1-CE 4.03Å; I87-M90 PolarHBondContact O-N 3.24Å; I87-F91 HydrophobicContact CD1-CD1 4.47Å; I87-F91 HydrophobicContact CD1-CE1 3.75Å; I87-F91 HydrophobicContact CD1-CE2 4.29Å; I87-F91 HydrophobicContact CD1-CZ 3.64Å; I87-F91 HydrophobicContact CG1-CE1 4.22Å; I87-F91 HydrophobicContact CG1-CE2 3.83Å; I87-F91 HydrophobicContact CG1-CZ 3.66Å; I87-F91 WeakPolarHBondContact O-CG 3.42Å; I87-F91 PolarHBondContact O-N 3.33Å
88	L	98.3	Very high	96.6	Very high	13 Å²	13	23.2 Å²	23.2	7%	0.068	13%	0.125	C	C	.	.	H	α-helix	trans	-68.5	-41.1	178	-61.7	-170.1	0	0	0	111.1	Y62 G86 M90 F91 A92 V165 E167	Y62-L88 HydrophobicContact CD1-CD1 3.81Å; Y62-L88 HydrophobicContact CD1-CD2 3.8Å; Y62-L88 HydrophobicContact CD1-CG 4.47Å; Y62-L88 HydrophobicContact CE1-CD1 3.87Å; Y62-L88 HydrophobicContact CG-CD1 4.41Å; Y62-L88 HydrophobicContact CG-CD2 3.75Å; G86-L88 PolarHBondContact O-N 3.29Å; L88-M90 VanDerWaalsContact C-N 3.29Å; L88-M90 PolarHBondContact O-N 3.31Å; L88-F91 HydrophobicContact CD2-CD2 4.01Å; L88-F91 HydrophobicContact CD2-CE2 4.32Å; L88-F91 PolarHBondContact O-N 2.61Å; L88-F91 VanDerWaalsContact O-N 3.17Å; L88-A92 PolarHBondContact O-N 2.84Å; L88-V165 HydrophobicContact CB-CG2 4.3Å; L88-E167 HydrophobicContact CD1-CB 4.14Å
89	S	98.1	Very high	96.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-54.5	-44.3	170.6	-72.3	0	0	0	0	112.6	D80 G86 A92 A93	D80-S89 WeakPolarHBondContact CB-OG 3.3Å; D80-S89 WeakPolarHBondContact OD2-CB 3.45Å; D80-S89 PolarHBondContact OD2-N 2.92Å; D80-S89 PolarHBondContact OD2-OG 3.38Å; G86-S89 WeakPolarHBondContact O-CB 3.4Å; G86-S89 PolarHBondContact O-N 3.25Å; S89-A92 PolarHBondContact O-N 3.21Å; S89-A93 WeakPolarHBondContact O-CB 3.24Å; S89-A93 PolarHBondContact O-N 2.9Å
90	M	97.1	Very high	96.3	Very high	24 Å²	24	23.9 Å²	23.9	12%	0.118	13%	0.128	C	C	.	.	H	α-helix	trans	-66.1	-39.3	177.2	-70.9	-169.5	-72.2	0	0	112.2	G86 I87 L88 A93 H94 I115 I116 N119 L121 I141	G86-M90 WeakPolarHBondContact O-CG 3.35Å; G86-M90 PolarHBondContact O-N 2.78Å; I87-M90 HydrophobicContact CD1-CE 4.03Å; I87-M90 PolarHBondContact O-N 3.24Å; L88-M90 VanDerWaalsContact C-N 3.29Å; L88-M90 PolarHBondContact O-N 3.31Å; M90-A93 PolarHBondContact O-N 3.43Å; M90-H94 WeakPolarHBondContact O-CB 3.46Å; M90-H94 PolarHBondContact O-N 3.4Å; M90-I115 HydrophobicContact CE-CG2 3.69Å; M90-I115 HydrophobicContact SD-CG2 3.97Å; M90-I116 HydrophobicContact CG-CG1 4.34Å; M90-N119 HydrophobicContact SD-CB 4.29Å; M90-L121 HydrophobicContact CB-CD1 3.86Å; M90-L121 HydrophobicContact CG-CD1 3.59Å; M90-L121 HydrophobicContact SD-CD1 4.03Å; M90-I141 HydrophobicContact CB-CD1 4.46Å; M90-I141 HydrophobicContact CG-CD1 3.91Å
91	F	97.9	Very high	96.3	Very high	21 Å²	21	23.8 Å²	23.8	9%	0.092	13%	0.128	C	C	.	.	H	α-helix	trans	-61.5	-45.6	172.7	-64.4	-25.8	0	0	0	111.8	T59 R63 I66 Y67 I87 L88 A93 H94 A95	T59-F91 HydrophobicContact CG2-CE2 4.09Å; T59-F91 HydrophobicContact CG2-CZ 4.12Å; R63-F91 HydrophobicContact CB-CD2 3.9Å; R63-F91 HydrophobicContact CB-CE1 4.26Å; R63-F91 HydrophobicContact CB-CE2 3.62Å; R63-F91 HydrophobicContact CB-CG 4.35Å; R63-F91 HydrophobicContact CB-CZ 3.81Å; R63-F91 HydrophobicContact CG-CD1 3.98Å; R63-F91 HydrophobicContact CG-CD2 4.25Å; R63-F91 HydrophobicContact CG-CE1 3.82Å; R63-F91 HydrophobicContact CG-CE2 4.1Å; R63-F91 HydrophobicContact CG-CG 4.2Å; R63-F91 HydrophobicContact CG-CZ 3.89Å; I66-F91 HydrophobicContact CD1-CB 3.78Å; I66-F91 HydrophobicContact CG2-CB 4.31Å; Y67-F91 HydrophobicContact CE1-CB 3.92Å; Y67-F91 HydrophobicContact CE1-CD1 4.13Å; Y67-F91 HydrophobicContact CE1-CG 4.33Å; Y67-F91 WeakPolarHBondContact CE1-O 3.14Å; Y67-F91 AromaticContact CZ-CD1 3.93Å; I87-F91 HydrophobicContact CD1-CD1 4.47Å; I87-F91 HydrophobicContact CD1-CE1 3.75Å; I87-F91 HydrophobicContact CD1-CE2 4.29Å; I87-F91 HydrophobicContact CD1-CZ 3.64Å; I87-F91 HydrophobicContact CG1-CE1 4.22Å; I87-F91 HydrophobicContact CG1-CE2 3.83Å; I87-F91 HydrophobicContact CG1-CZ 3.66Å; I87-F91 WeakPolarHBondContact O-CG 3.42Å; I87-F91 PolarHBondContact O-N 3.33Å; L88-F91 HydrophobicContact CD2-CD2 4.01Å; L88-F91 HydrophobicContact CD2-CE2 4.32Å; L88-F91 PolarHBondContact O-N 2.61Å; L88-F91 VanDerWaalsContact O-N 3.17Å; F91-A93 PolarHBondContact O-N 3.27Å; F91-H94 PolarHBondContact O-N 3.19Å; F91-A95 PolarHBondContact O-N 2.79Å
92	A	97.5	Very high	96.3	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-60.4	-44.5	177.9	0	0	0	0	0	112.1	F73 V78 L88 S89 A95 G96 A97 V100	F73-A92 HydrophobicContact CD1-CB 4.24Å; F73-A92 HydrophobicContact CE1-CB 4.36Å; V78-A92 HydrophobicContact CB-CB 4.32Å; V78-A92 HydrophobicContact CG1-CB 4Å; V78-A92 HydrophobicContact CG2-CB 4.23Å; L88-A92 PolarHBondContact O-N 2.84Å; S89-A92 PolarHBondContact O-N 3.21Å; A92-A95 PolarHBondContact O-N 3.19Å; A92-G96 PolarHBondContact O-N 3.15Å; A92-A97 VanDerWaalsContact O-CB 3.22Å; A92-A97 WeakPolarHBondContact O-CB 3.49Å; A92-A97 PolarHBondContact O-N 2.6Å; A92-V100 HydrophobicContact CB-CG1 4.42Å; A92-V100 HydrophobicContact CB-CG2 3.99Å
93	A	95.8	Very high	96.4	Very high	12 Å²	12	23 Å²	23	10%	0.099	12%	0.12	C	C	.	.	H	α-helix	trans	-60	-46.1	175.3	0	0	0	0	0	111.8	S89 M90 F91 A95 G96 V100 L121 V140 I141	S89-A93 WeakPolarHBondContact O-CB 3.24Å; S89-A93 PolarHBondContact O-N 2.9Å; M90-A93 PolarHBondContact O-N 3.43Å; F91-A93 PolarHBondContact O-N 3.27Å; A93-A95 VanDerWaalsContact C-N 3.3Å; A93-A95 PolarHBondContact O-N 2.97Å; A93-G96 PolarHBondContact O-N 3.11Å; A93-V100 HydrophobicContact CB-CG2 4.19Å; A93-L121 HydrophobicContact CB-CD2 4.28Å; A93-V140 HydrophobicContact CB-CG1 3.61Å; A93-I141 HydrophobicContact CB-CD1 3.69Å; A93-I141 HydrophobicContact CB-CG1 3.77Å
94	H	93.5	Very high	96.3	Very high	134 Å²	134	23.5 Å²	23.5	62%	0.62	12%	0.121	S	C	*	.	H	α-helix	trans	-65.7	-31.9	179.8	-159.4	81.8	0	0	0	112.9	Y67 M90 F91 G96	Y67-H94 HydrophobicContact CE1-CB 3.94Å; Y67-H94 AromaticContact CZ-CD2 3.63Å; Y67-H94 WeakPolarHBondContact OH-CB 3.07Å; Y67-H94 PolarHBondContact OH-CD2 3.37Å; M90-H94 WeakPolarHBondContact O-CB 3.46Å; M90-H94 PolarHBondContact O-N 3.4Å; F91-H94 PolarHBondContact O-N 3.19Å; H94-G96 PolarHBondContact O-N 3.06Å
95	A	95.2	Very high	96.3	Very high	8 Å²	8	27 Å²	27	7%	0.066	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-1.4	172.9	0	0	0	0	0	114.1	I66 Y67 F73 F91 A92 A93	I66-A95 HydrophobicContact CG2-CB 3.5Å; I66-A95 VanDerWaalsContact CG2-CB 3.5Å; Y67-A95 HydrophobicContact CD1-CB 4.36Å; F73-A95 HydrophobicContact CB-CB 3.95Å; F73-A95 HydrophobicContact CG-CB 4.27Å; F91-A95 PolarHBondContact O-N 2.79Å; A92-A95 PolarHBondContact O-N 3.19Å; A93-A95 VanDerWaalsContact C-N 3.3Å; A93-A95 PolarHBondContact O-N 2.97Å
96	G	93.4	Very high	96.1	Very high	33 Å²	33	26.3 Å²	26.3	34%	0.34	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.4	20.9	172.4	0	0	0	0	0	114.8	R74 G75 A92 A93 H94 R98	R74-G96 CarbonylContact C-O 3.54Å; R74-G96 VanDerWaalsContact CA-O 3.31Å; R74-G96 WeakPolarHBondContact CA-O 3.46Å; G75-G96 PolarHBondContact N-O 3.07Å; A92-G96 PolarHBondContact O-N 3.15Å; A93-G96 PolarHBondContact O-N 3.11Å; H94-G96 PolarHBondContact O-N 3.06Å; G96-R98 PolarHBondContact O-N 3.15Å
97	A	95	Very high	95.9	Very high	7 Å²	7	32.8 Å²	32.8	6%	0.058	16%	0.158	C	C	.	.			trans	-52.9	136.3	168.9	0	0	0	0	0	110.7	F73 V78 A92 R99 V100	F73-A97 WeakPolarHBondContact O-CA 3.31Å; V78-A97 HydrophobicContact CG2-CB 3.73Å; A92-A97 VanDerWaalsContact O-CB 3.22Å; A92-A97 WeakPolarHBondContact O-CB 3.49Å; A92-A97 PolarHBondContact O-N 2.6Å; A97-R99 VanDerWaalsContact C-N 3.33Å; A97-V100 HydrophobicContact CB-CG2 3.65Å
98	R	93.2	Very high	95.7	Very high	146 Å²	146	31.7 Å²	31.7	55%	0.551	15%	0.152	S	C	*	.	S	Bend	trans	-69	-37.8	175.5	177.2	178.6	66.8	145.5	4	110.7	G75 K76 G96	G75-R98 WeakPolarHBondContact O-CB 3.47Å; K76-R98 PolarHBondContact O-N 3.36Å; G96-R98 PolarHBondContact O-N 3.15Å
99	R	94.9	Very high	95.5	Very high	15 Å²	15	31.1 Å²	31.1	6%	0.057	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	141.6	179.7	-164	70.6	169.4	116.6	-7	109.4	K76 V77 V78 A97 L139 V140 T142 D156 I158	K76-R99 PolarHBondContact O-N 3.33Å; V77-R99 WeakPolarHBondContact CA-O 3.44Å; V77-R99 HydrophobicContact CG1-CB 4.33Å; V77-R99 HydrophobicContact CG2-CB 4.34Å; V78-R99 PolarHBondContact N-O 3.39Å; A97-R99 VanDerWaalsContact C-N 3.33Å; R99-L139 WeakPolarHBondContact CD-O 3.25Å; R99-L139 PolarHBondContact NE-O 3.03Å; R99-L139 PolarHBondContact NH1-O 3.47Å; R99-L139 VanDerWaalsContact NH1-O 3.1Å; R99-V140 VanDerWaalsContact NH1-C 3.33Å; R99-V140 PolarHBondContact NH1-O 3.19Å; R99-T142 VanDerWaalsContact CZ-OG1 3.25Å; R99-T142 PolarHBondContact NH1-OG1 3.21Å; R99-T142 PolarHBondContact NH2-OG1 2.99Å; R99-D156 IonicContact CZ-OD2 3.11Å; R99-D156 IonicContact NE-OD2 2.73Å; R99-D156 PolarHBondContact NE-OD2 3.25Å; R99-D156 IonicContact NH2-OD1 3.84Å; R99-D156 IonicContact NH2-OD2 2.65Å; R99-D156 PolarHBondContact NH2-OD2 3.38Å; R99-I158 HydrophobicContact CB-CD1 4.36Å; R99-I158 HydrophobicContact CG-CD1 3.8Å
100	V	97.3	Very high	95.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	128.2	173	-172.8	0	0	0	0	108.1	V78 A92 A93 A97 V140 I141 T142	V78-V100 HydrophobicContact CB-CG1 4.35Å; V78-V100 HydrophobicContact CB-CG2 4.31Å; V78-V100 CarbonylContact O-C 3.53Å; V78-V100 VanDerWaalsContact O-CA 3.31Å; V78-V100 WeakPolarHBondContact O-CA 3.29Å; A92-V100 HydrophobicContact CB-CG1 4.42Å; A92-V100 HydrophobicContact CB-CG2 3.99Å; A93-V100 HydrophobicContact CB-CG2 4.19Å; A97-V100 HydrophobicContact CB-CG2 3.65Å; V100-V140 HydrophobicContact CG2-CG1 4.5Å; V100-V140 PolarHBondContact N-O 3.33Å; V100-I141 HydrophobicContact CB-CB 4.47Å; V100-I141 HydrophobicContact CB-CG1 4.12Å; V100-I141 HydrophobicContact CB-CG2 4.34Å; V100-I141 HydrophobicContact CG1-CG2 4.4Å; V100-I141 HydrophobicContact CG2-CG1 4.45Å; V100-I141 CarbonylContact O-C 3.55Å; V100-I141 VanDerWaalsContact O-CA 3.32Å; V100-I141 WeakPolarHBondContact O-CA 3.45Å; V100-T142 PolarHBondContact O-N 2.93Å
101	I	97.9	Very high	95.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	115.5	175.1	-61.1	156.8	0	0	0	106.4	V78 L79 D80 I103 T142 V144 L154 P155 I158	V78-I101 PolarHBondContact O-N 3.24Å; L79-I101 CarbonylContact C-O 3.57Å; L79-I101 WeakPolarHBondContact CA-O 3.29Å; L79-I101 HydrophobicContact CD1-CB 4.13Å; L79-I101 HydrophobicContact CD1-CG2 4.04Å; L79-I101 WeakPolarHBondContact CD1-O 3.4Å; D80-I101 PolarHBondContact N-O 2.87Å; I101-I103 HydrophobicContact CG2-CG1 4.31Å; I101-T142 CarbonylContact C-O 3.59Å; I101-T142 WeakPolarHBondContact CA-O 3.49Å; I101-V144 HydrophobicContact CG2-CG2 4.19Å; I101-L154 HydrophobicContact CD1-CB 4.05Å; I101-L154 HydrophobicContact CD1-CD1 4.31Å; I101-L154 HydrophobicContact CG2-CD2 4.41Å; I101-P155 HydrophobicContact CG2-CG 4.42Å; I101-I158 HydrophobicContact CD1-CB 4.46Å; I101-I158 HydrophobicContact CD1-CD1 3.82Å; I101-I158 HydrophobicContact CD1-CG2 4.33Å
102	G	97.9	Very high	95.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	131.9	168.6	0	0	0	0	0	109.9	D80 T142 I143 V144	D80-G102 WeakPolarHBondContact O-CA 3.17Å; G102-T142 PolarHBondContact N-O 2.73Å; G102-I143 CarbonylContact O-C 3.55Å; G102-I143 VanDerWaalsContact O-CA 3.29Å; G102-I143 WeakPolarHBondContact O-CA 3.45Å; G102-V144 PolarHBondContact O-N 3.34Å
103	I	98.1	Very high	95.1	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	125.9	170.3	-55.6	175.3	0	0	0	107.5	L79 D80 G82 S83 I101 V144 Q146 V148 V151 L154 W189	L79-I103 HydrophobicContact CD1-CD1 3.74Å; L79-I103 HydrophobicContact CD1-CG1 3.95Å; D80-I103 PolarHBondContact O-N 3.34Å; G82-I103 WeakPolarHBondContact CA-O 3.24Å; G82-I103 PolarHBondContact N-O 2.91Å; S83-I103 PolarHBondContact N-O 2.86Å; I101-I103 HydrophobicContact CG2-CG1 4.31Å; I103-V144 WeakPolarHBondContact CA-O 3.35Å; I103-V144 HydrophobicContact CG1-CB 4.36Å; I103-Q146 VanDerWaalsContact CG2-O 3.25Å; I103-Q146 WeakPolarHBondContact CG2-O 3.3Å; I103-V148 HydrophobicContact CB-CG2 3.98Å; I103-V148 HydrophobicContact CD1-CG1 4.43Å; I103-V148 HydrophobicContact CD1-CG2 4.48Å; I103-V148 HydrophobicContact CG2-CB 4.38Å; I103-V148 HydrophobicContact CG2-CG2 3.6Å; I103-V151 HydrophobicContact CD1-CG2 4.11Å; I103-V151 HydrophobicContact CG2-CG2 4.17Å; I103-L154 HydrophobicContact CD1-CD2 4.12Å; I103-W189 HydrophobicContact CD1-CH2 4.41Å; I103-W189 HydrophobicContact CD1-CZ3 4.36Å
104	E	95.7	Very high	95.1	Very high	16 Å²	16	43.6 Å²	43.6	8%	0.075	21%	0.21	C	C	.	.			trans	-143.3	126.8	-179.8	175.8	51.6	-112.1	0	0	109.4	S83 G84 S106 I108 A109 V144 Q145 Q146	S83-E104 PolarHBondContact N-OE2 3.47Å; S83-E104 WeakPolarHBondContact OG-CB 3.5Å; G84-E104 WeakPolarHBondContact CA-OE2 3.18Å; G84-E104 PolarHBondContact N-OE2 3.44Å; E104-S106 VanDerWaalsContact OE1-CB 3.31Å; E104-S106 WeakPolarHBondContact OE1-CB 3.44Å; E104-S106 PolarHBondContact OE1-N 2.83Å; E104-I108 HydrophobicContact CG-CG2 3.72Å; E104-A109 HydrophobicContact CB-CB 4.07Å; E104-A109 HydrophobicContact CG-CB 4Å; E104-V144 PolarHBondContact N-O 3.27Å; E104-V144 VanDerWaalsContact N-O 3.08Å; E104-Q145 CarbonylContact O-C 3.54Å; E104-Q145 WeakPolarHBondContact O-CA 3.45Å; E104-Q146 CarbonylContact C-O 3.59Å; E104-Q146 PolarHBondContact O-N 3.08Å
105	F	94	Very high	95.2	Very high	82 Å²	82	39.6 Å²	39.6	36%	0.36	19%	0.192	S	C	.	.			trans	-83.5	-36.7	180	175.8	-119	0	0	0	112	F40 K147	F40-F105 HydrophobicContact CB-CD1 3.94Å; F40-F105 HydrophobicContact CB-CE1 3.93Å; F40-F105 HydrophobicContact CD1-CB 4.5Å; F40-F105 AromaticContact CD1-CD1 3.48Å; F40-F105 HydrophobicContact CD1-CD1 3.48Å; F40-F105 VanDerWaalsContact CD1-CD1 3.48Å; F40-F105 HydrophobicContact CD1-CE1 4.2Å; F40-F105 HydrophobicContact CD1-CG 4.47Å; F40-F105 AromaticContact CD2-CD1 3.78Å; F40-F105 HydrophobicContact CD2-CD1 3.78Å; F40-F105 AromaticContact CD2-CE1 3.69Å; F40-F105 HydrophobicContact CD2-CE1 3.69Å; F40-F105 HydrophobicContact CE1-CB 4.37Å; F40-F105 AromaticContact CE1-CD1 3.75Å; F40-F105 HydrophobicContact CE1-CD1 3.75Å; F40-F105 HydrophobicContact CE2-CD1 4.05Å; F40-F105 HydrophobicContact CE2-CE1 4.15Å; F40-F105 AromaticContact CG-CD1 3.46Å; F40-F105 HydrophobicContact CG-CD1 3.46Å; F40-F105 VanDerWaalsContact CG-CD1 3.46Å; F40-F105 AromaticContact CG-CE1 3.69Å; F40-F105 HydrophobicContact CG-CE1 3.69Å; F40-F105 HydrophobicContact CZ-CD1 4.01Å; F105-K147 HydrophobicContact CB-CG 4.14Å; F105-K147 HydrophobicContact CD1-CG 4.15Å; F105-K147 HydrophobicContact CD2-CB 4.49Å; F105-K147 HydrophobicContact CD2-CG 3.52Å; F105-K147 HydrophobicContact CE1-CG 4.48Å; F105-K147 HydrophobicContact CE2-CG 3.9Å; F105-K147 HydrophobicContact CG-CG 3.66Å; F105-K147 HydrophobicContact CZ-CG 4.37Å
106	S	92.1	Very high	95.2	Very high	5 Å²	5	39.4 Å²	39.4	4%	0.035	19%	0.19	C	C	.	.	S	Bend	trans	-66.5	160	-175.3	-174.7	0	0	0	0	112.6	F40 Y43 A44 E104 I108 A109 Q145	F40-S106 PolarHBondContact O-OG 3.29Å; Y43-S106 VanDerWaalsContact C-OG 3.24Å; Y43-S106 PolarHBondContact O-OG 3.42Å; A44-S106 WeakPolarHBondContact CA-OG 3.34Å; A44-S106 PolarHBondContact N-OG 3.18Å; A44-S106 VanDerWaalsContact N-OG 3.13Å; E104-S106 VanDerWaalsContact OE1-CB 3.31Å; E104-S106 WeakPolarHBondContact OE1-CB 3.44Å; E104-S106 PolarHBondContact OE1-N 2.83Å; S106-I108 PolarHBondContact O-N 3.08Å; S106-I108 VanDerWaalsContact O-N 3.11Å; S106-A109 WeakPolarHBondContact O-CB 3.13Å; S106-A109 PolarHBondContact O-N 3.24Å; S106-A109 VanDerWaalsContact O-N 3.15Å; S106-Q145 PolarHBondContact O-NE2 3.17Å
107	K	92.7	Very high	95.2	Very high	136 Å²	136	43.4 Å²	43.4	59%	0.591	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-17.7	179.6	-68.4	180	-177.4	164.2	0	113.4	A44 A109 I110 Q111	A44-K107 HydrophobicContact CB-CB 4.12Å; K107-A109 PolarHBondContact O-N 2.79Å; K107-A109 VanDerWaalsContact O-N 3.07Å; K107-I110 PolarHBondContact O-N 3.47Å; K107-Q111 PolarHBondContact O-OE1 2.88Å
108	I	94	Very high	95.1	Very high	13 Å²	13	51.2 Å²	51.2	7%	0.067	23%	0.226	C	C	.	.	H	α-helix	trans	-56.7	-22.2	173.6	-163	69.3	0	0	0	112.8	T85 E104 S106 I110 Q111 S112	T85-I108 HydrophobicContact CG2-CG1 4.25Å; E104-I108 HydrophobicContact CG-CG2 3.72Å; S106-I108 PolarHBondContact O-N 3.08Å; S106-I108 VanDerWaalsContact O-N 3.11Å; I108-I110 PolarHBondContact O-N 2.85Å; I108-I110 VanDerWaalsContact O-N 3.15Å; I108-Q111 HydrophobicContact CD1-CB 4.09Å; I108-Q111 HydrophobicContact CD1-CG 4.45Å; I108-Q111 PolarHBondContact O-N 2.95Å; I108-S112 WeakPolarHBondContact O-CB 3.39Å; I108-S112 PolarHBondContact O-N 3.23Å
109	A	94.7	Very high	95.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-52.5	-34.8	173.3	0	0	0	0	0	112.8	E104 S106 K107 S112 Q113 I143 Q145	E104-A109 HydrophobicContact CB-CB 4.07Å; E104-A109 HydrophobicContact CG-CB 4Å; S106-A109 WeakPolarHBondContact O-CB 3.13Å; S106-A109 PolarHBondContact O-N 3.24Å; S106-A109 VanDerWaalsContact O-N 3.15Å; K107-A109 PolarHBondContact O-N 2.79Å; K107-A109 VanDerWaalsContact O-N 3.07Å; A109-S112 WeakPolarHBondContact O-CB 3.22Å; A109-S112 PolarHBondContact O-N 3.15Å; A109-Q113 VanDerWaalsContact O-CG 3.32Å; A109-Q113 WeakPolarHBondContact O-CG 3.42Å; A109-Q113 PolarHBondContact O-N 3.25Å; A109-I143 HydrophobicContact CB-CG2 3.9Å; A109-Q145 HydrophobicContact CB-CB 3.83Å; A109-Q145 HydrophobicContact CB-CG 3.64Å
110	I	94.5	Very high	94.9	Very high	94 Å²	94	57.8 Å²	57.8	48%	0.482	26%	0.258	S	S	.	.	H	α-helix	trans	-66	-47.3	178.3	-60	171.8	0	0	0	110.1	K107 I108 Q113 D114	K107-I110 PolarHBondContact O-N 3.47Å; I108-I110 PolarHBondContact O-N 2.85Å; I108-I110 VanDerWaalsContact O-N 3.15Å; I110-Q113 PolarHBondContact O-N 3.18Å; I110-D114 PolarHBondContact O-N 2.89Å
111	Q	95.2	Very high	94.4	Very high	94 Å²	94	59.5 Å²	59.5	44%	0.439	27%	0.267	S	S	.	.	H	α-helix	trans	-65.8	-39.7	175.8	-71.2	77.1	3.9	0	0	111.2	K107 I108 Q113 D114 I115	K107-Q111 PolarHBondContact O-OE1 2.88Å; I108-Q111 HydrophobicContact CD1-CB 4.09Å; I108-Q111 HydrophobicContact CD1-CG 4.45Å; I108-Q111 PolarHBondContact O-N 2.95Å; Q111-Q113 PolarHBondContact O-N 2.72Å; Q111-D114 WeakPolarHBondContact O-CB 3.47Å; Q111-D114 PolarHBondContact O-N 2.6Å; Q111-D114 VanDerWaalsContact O-N 3.12Å; Q111-I115 VanDerWaalsContact O-CG1 3.26Å; Q111-I115 WeakPolarHBondContact O-CG1 3.39Å; Q111-I115 PolarHBondContact O-N 2.81Å
112	S	96.2	Very high	93.6	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-56.6	-46.9	175.5	-178.4	0	0	0	0	111.7	G84 T85 G86 I108 A109 D114 I115 I116	G84-S112 VanDerWaalsContact O-CB 3.24Å; G84-S112 WeakPolarHBondContact O-CB 3.36Å; G84-S112 PolarHBondContact O-OG 2.91Å; T85-S112 VanDerWaalsContact C-OG 3.29Å; T85-S112 PolarHBondContact O-OG 3.31Å; G86-S112 WeakPolarHBondContact CA-OG 3.47Å; G86-S112 PolarHBondContact N-OG 3.22Å; I108-S112 WeakPolarHBondContact O-CB 3.39Å; I108-S112 PolarHBondContact O-N 3.23Å; A109-S112 WeakPolarHBondContact O-CB 3.22Å; A109-S112 PolarHBondContact O-N 3.15Å; S112-D114 VanDerWaalsContact C-N 3.32Å; S112-D114 PolarHBondContact O-N 2.85Å; S112-I115 PolarHBondContact O-N 2.89Å; S112-I116 WeakPolarHBondContact O-CB 3.36Å; S112-I116 WeakPolarHBondContact O-CD1 3.35Å; S112-I116 VanDerWaalsContact O-CG1 3.26Å; S112-I116 WeakPolarHBondContact O-CG1 3.24Å; S112-I116 PolarHBondContact O-N 3.07Å
113	Q	95.5	Very high	92.4	Very high	69 Å²	69	64.6 Å²	64.6	32%	0.322	29%	0.292	S	S	.	.	H	α-helix	trans	-58.8	-41.7	174.5	-71.7	174.3	-0.3	0	0	112.6	A109 I110 Q111 K117 I143	A109-Q113 VanDerWaalsContact O-CG 3.32Å; A109-Q113 WeakPolarHBondContact O-CG 3.42Å; A109-Q113 PolarHBondContact O-N 3.25Å; I110-Q113 PolarHBondContact O-N 3.18Å; Q111-Q113 PolarHBondContact O-N 2.72Å; Q113-K117 VanDerWaalsContact O-CG 3.23Å; Q113-K117 WeakPolarHBondContact O-CG 3.47Å; Q113-K117 PolarHBondContact O-N 3.35Å; Q113-I143 HydrophobicContact CG-CB 3.73Å; Q113-I143 HydrophobicContact CG-CG1 4.12Å; Q113-I143 HydrophobicContact CG-CG2 4.32Å; Q113-I143 PolarHBondContact NE2-O 2.85Å
114	D	95.4	Very high	90.4	Very high	62 Å²	62	65.2 Å²	65.2	33%	0.332	30%	0.298	S	S	.	.	H	α-helix	trans	-67.8	-41.4	177.5	-172.9	34.6	0	0	0	112	I110 Q111 S112 I116 K117 R118	I110-D114 PolarHBondContact O-N 2.89Å; Q111-D114 WeakPolarHBondContact O-CB 3.47Å; Q111-D114 PolarHBondContact O-N 2.6Å; Q111-D114 VanDerWaalsContact O-N 3.12Å; S112-D114 VanDerWaalsContact C-N 3.32Å; S112-D114 PolarHBondContact O-N 2.85Å; D114-I116 PolarHBondContact O-N 3.18Å; D114-K117 PolarHBondContact O-N 2.92Å; D114-R118 VanDerWaalsContact CG-NH1 3.3Å; D114-R118 WeakPolarHBondContact O-CG 3.33Å; D114-R118 PolarHBondContact O-N 3.08Å; D114-R118 IonicContact OD1-CZ 3.42Å; D114-R118 IonicContact OD1-NH1 3.62Å; D114-R118 IonicContact OD1-NH2 3.19Å; D114-R118 PolarHBondContact OD1-NH2 2.81Å; D114-R118 IonicContact OD2-CZ 3.02Å; D114-R118 IonicContact OD2-NH1 2.61Å; D114-R118 PolarHBondContact OD2-NH1 3.03Å; D114-R118 IonicContact OD2-NH2 2.8Å; D114-R118 PolarHBondContact OD2-NH2 2.77Å
115	I	95.8	Very high	88.1	Confident	51 Å²	51	70 Å²	70	26%	0.262	33%	0.329	S	S	.	.	H	α-helix	trans	-58.4	-47.8	173.6	-69.9	163	0	0	0	110.5	M90 Q111 S112 K117 R118 N119	M90-I115 HydrophobicContact CE-CG2 3.69Å; M90-I115 HydrophobicContact SD-CG2 3.97Å; Q111-I115 VanDerWaalsContact O-CG1 3.26Å; Q111-I115 WeakPolarHBondContact O-CG1 3.39Å; Q111-I115 PolarHBondContact O-N 2.81Å; S112-I115 PolarHBondContact O-N 2.89Å; I115-K117 PolarHBondContact O-N 2.94Å; I115-R118 PolarHBondContact O-N 3.44Å; I115-N119 PolarHBondContact O-N 3.41Å; I115-N119 PolarHBondContact O-ND2 3.01Å
116	I	95.7	Very high	85.8	Confident	4 Å²	4	70.7 Å²	70.7	2%	0.021	34%	0.339	C	S	.	.	H	α-helix	trans	-61.4	-44	179.7	-72.7	161	0	0	0	111.1	M90 S112 D114 N119 R120 L121 D122 I141 I143	M90-I116 HydrophobicContact CG-CG1 4.34Å; S112-I116 WeakPolarHBondContact O-CB 3.36Å; S112-I116 WeakPolarHBondContact O-CD1 3.35Å; S112-I116 VanDerWaalsContact O-CG1 3.26Å; S112-I116 WeakPolarHBondContact O-CG1 3.24Å; S112-I116 PolarHBondContact O-N 3.07Å; D114-I116 PolarHBondContact O-N 3.18Å; I116-N119 CarbonylContact O-C 3.56Å; I116-N119 PolarHBondContact O-N 2.88Å; I116-R120 PolarHBondContact O-N 3.37Å; I116-R120 VanDerWaalsContact O-N 3.15Å; I116-L121 HydrophobicContact CG2-CB 4.11Å; I116-L121 PolarHBondContact O-N 3.2Å; I116-D122 HydrophobicContact CG2-CB 4.07Å; I116-I141 HydrophobicContact CD1-CB 4.29Å; I116-I141 HydrophobicContact CD1-CG2 3.6Å; I116-I141 HydrophobicContact CG1-CD1 4.29Å; I116-I141 HydrophobicContact CG1-CG2 4.34Å; I116-I141 HydrophobicContact CG2-CB 3.93Å; I116-I141 HydrophobicContact CG2-CD1 4.3Å; I116-I141 HydrophobicContact CG2-CG2 4.44Å; I116-I143 HydrophobicContact CD1-CD1 3.65Å; I116-I143 HydrophobicContact CD1-CG1 3.43Å; I116-I143 VanDerWaalsContact CD1-CG1 3.43Å
117	K	93.5	Very high	83.4	Confident	116 Å²	116	74.2 Å²	74.2	50%	0.504	37%	0.369	S	S	.	.	H	α-helix	trans	-61.1	-46.2	175.2	-73.2	170.9	179.2	174.8	0	112	Q113 D114 I115 N119 R120 D122	Q113-K117 VanDerWaalsContact O-CG 3.23Å; Q113-K117 WeakPolarHBondContact O-CG 3.47Å; Q113-K117 PolarHBondContact O-N 3.35Å; D114-K117 PolarHBondContact O-N 2.92Å; I115-K117 PolarHBondContact O-N 2.94Å; K117-N119 PolarHBondContact O-N 2.82Å; K117-R120 PolarHBondContact O-N 2.81Å; K117-D122 HydrophobicContact CG-CB 3.91Å; K117-D122 WeakPolarHBondContact CG-OD2 3.42Å
118	R	93.4	Very high	81.1	Confident	172 Å²	172	70 Å²	70	65%	0.649	36%	0.357	S	S	*	.	H	α-helix	trans	-61.6	-33.6	177.6	-75.2	-165.9	-178.4	100	21	112.8	D114 I115 R120	D114-R118 VanDerWaalsContact CG-NH1 3.3Å; D114-R118 WeakPolarHBondContact O-CG 3.33Å; D114-R118 PolarHBondContact O-N 3.08Å; D114-R118 IonicContact OD1-CZ 3.42Å; D114-R118 IonicContact OD1-NH1 3.62Å; D114-R118 IonicContact OD1-NH2 3.19Å; D114-R118 PolarHBondContact OD1-NH2 2.81Å; D114-R118 IonicContact OD2-CZ 3.02Å; D114-R118 IonicContact OD2-NH1 2.61Å; D114-R118 PolarHBondContact OD2-NH1 3.03Å; D114-R118 IonicContact OD2-NH2 2.8Å; D114-R118 PolarHBondContact OD2-NH2 2.77Å; I115-R118 PolarHBondContact O-N 3.44Å; R118-R120 VanDerWaalsContact C-N 3.27Å; R118-R120 PolarHBondContact O-N 3.1Å
119	N	92.9	Very high	79	Confident	94 Å²	94	81.6 Å²	81.6	50%	0.503	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	2.8	175.1	-72.1	-78	0	0	0	113.6	M90 I115 I116 K117 L121	M90-N119 HydrophobicContact SD-CB 4.29Å; I115-N119 PolarHBondContact O-N 3.41Å; I115-N119 PolarHBondContact O-ND2 3.01Å; I116-N119 CarbonylContact O-C 3.56Å; I116-N119 PolarHBondContact O-N 2.88Å; K117-N119 PolarHBondContact O-N 2.82Å; N119-L121 HydrophobicContact CB-CD1 4.11Å; N119-L121 HydrophobicContact CB-CG 4.27Å; N119-L121 PolarHBondContact O-N 3.09Å
120	R	89.5	Confident	77	Confident	205 Å²	205	92.2 Å²	92.2	77%	0.774	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	34.4	179.5	-50.6	177	-177.8	176.9	0.3	112.9	I116 K117 R118	I116-R120 PolarHBondContact O-N 3.37Å; I116-R120 VanDerWaalsContact O-N 3.15Å; K117-R120 PolarHBondContact O-N 2.81Å; R118-R120 VanDerWaalsContact C-N 3.27Å; R118-R120 PolarHBondContact O-N 3.1Å
121	L	88.5	Confident	74.8	Confident	36 Å²	36	93.5 Å²	93.5	19%	0.188	44%	0.443	C	S	.	.			trans	-103.8	-4.7	177.8	-65.6	172.7	0	0	0	112.3	M90 A93 I116 N119 I141	M90-L121 HydrophobicContact CB-CD1 3.86Å; M90-L121 HydrophobicContact CG-CD1 3.59Å; M90-L121 HydrophobicContact SD-CD1 4.03Å; A93-L121 HydrophobicContact CB-CD2 4.28Å; I116-L121 HydrophobicContact CG2-CB 4.11Å; I116-L121 PolarHBondContact O-N 3.2Å; N119-L121 HydrophobicContact CB-CD1 4.11Å; N119-L121 HydrophobicContact CB-CG 4.27Å; N119-L121 PolarHBondContact O-N 3.09Å; L121-I141 HydrophobicContact CB-CD1 3.69Å; L121-I141 HydrophobicContact CB-CG1 4.23Å; L121-I141 HydrophobicContact CD1-CD1 4.11Å; L121-I141 HydrophobicContact CG-CD1 4.47Å; L121-I141 PolarHBondContact O-N 3.46Å; L121-I141 VanDerWaalsContact O-N 3.11Å
122	D	81.3	Confident	72.7	Confident	27 Å²	27	94.1 Å²	94.1	14%	0.144	46%	0.456	C	S	.	.	S	Bend	trans	-68.3	-26.5	164.9	62.7	-31.8	0	0	0	111.2	I116 K117 L139	I116-D122 HydrophobicContact CG2-CB 4.07Å; K117-D122 HydrophobicContact CG-CB 3.91Å; K117-D122 WeakPolarHBondContact CG-OD2 3.42Å; D122-L139 VanDerWaalsContact O-CA 3.25Å; D122-L139 WeakPolarHBondContact O-CA 3.17Å; D122-L139 WeakPolarHBondContact O-CD2 3.2Å; D122-L139 VanDerWaalsContact O-CG 3.25Å; D122-L139 WeakPolarHBondContact O-CG 3.36Å
123	H	72	Confident	70.6	Confident	80 Å²	80	99.1 Å²	99.1	37%	0.37	50%	0.497	S	S	.	.	S	Bend	trans	-136.2	106.3	-179.6	-60.5	-49.3	0	0	0	111.3
124	G	56.7	Low	68.2	Low	14 Å²	14	102.6 Å²	102.6	14%	0.144	52%	0.517	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	125.1	173.8	0	0	0	0	0	111.5	V126 L138	G124-V126 PolarHBondContact O-N 3.41Å; G124-L138 WeakPolarHBondContact CA-O 3.38Å; G124-L138 PolarHBondContact N-O 3.02Å
125	T	45.7	Very low	65.6	Low	116 Å²	116	101.8 Å²	101.8	71%	0.712	51%	0.514	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	97.1	163.7	28.3	0	0	0	0	108.7	A127 T135	T125-A127 PolarHBondContact O-N 2.9Å; T125-T135 HydrophobicContact CG2-CG2 4.15Å
126	V	46.5	Very low	63.1	Low	96 Å²	96	103.2 Å²	103.2	58%	0.582	53%	0.528	S	S	*	.			trans	-74.2	91.5	157.6	-176.7	0	0	0	0	105.8	G124 S128	G124-V126 PolarHBondContact O-N 3.41Å; V126-S128 VanDerWaalsContact C-N 3.3Å; V126-S128 PolarHBondContact O-N 3.1Å
127	A	42.4	Very low	60.9	Low	80 Å²	80	112.3 Å²	112.3	66%	0.661	56%	0.562	S	S	*	*			trans	-61.3	96.5	173.8	0	0	0	0	0	108.4	T125 R129	T125-A127 PolarHBondContact O-N 2.9Å; A127-R129 PolarHBondContact O-N 2.73Å
128	S	43	Very low	59.2	Low	48 Å²	48	111 Å²	111	34%	0.336	56%	0.56	S	S	.	*			trans	-62.5	106	166.1	174	0	0	0	0	107.1	V126 R130 H131	V126-S128 VanDerWaalsContact C-N 3.3Å; V126-S128 PolarHBondContact O-N 3.1Å; S128-R130 PolarHBondContact O-N 3.39Å; S128-H131 WeakPolarHBondContact CB-O 3.26Å; S128-H131 PolarHBondContact O-N 2.83Å; S128-H131 PolarHBondContact OG-N 2.81Å; S128-H131 VanDerWaalsContact OG-N 3.15Å
129	R	50.6	Low	57.9	Low	256 Å²	256	106.2 Å²	106.2	97%	0.966	55%	0.547	S	S	*	.	S	Bend	trans	-57.9	-16.8	176.9	-77.1	-173.7	176.7	171.1	-0.8	113.1	A127	A127-R129 PolarHBondContact O-N 2.73Å
130	R	53.6	Low	57.6	Low	223 Å²	223	102.7 Å²	102.7	84%	0.842	53%	0.53	S	S	*	.	S	Bend	trans	-103.5	-26	-178.1	-73.5	-175.2	174.5	173.3	-1.7	114.4	S128	S128-R130 PolarHBondContact O-N 3.39Å
131	H	48.4	Very low	57.9	Low	120 Å²	120	93.1 Å²	93.1	56%	0.556	49%	0.494	S	S	*	.			trans	-147.3	92.3	-179.5	-78.6	-68.8	0	0	0	112.3	S128 A133 L134	S128-H131 WeakPolarHBondContact CB-O 3.26Å; S128-H131 PolarHBondContact O-N 2.83Å; S128-H131 PolarHBondContact OG-N 2.81Å; S128-H131 VanDerWaalsContact OG-N 3.15Å; H131-A133 PolarHBondContact O-N 3.08Å; H131-L134 HydrophobicContact CB-CB 4.29Å; H131-L134 PolarHBondContact O-N 3.18Å
132	P	51.1	Low	58.2	Low	108 Å²	108	93 Å²	93	70%	0.701	50%	0.495	S	S	*	.	G	3₁₀ helix	trans	-59.7	-28.1	177.5	-22.1	32.1	0	0	0	113.8	L134 T135	P132-L134 VanDerWaalsContact C-N 3.32Å; P132-L134 PolarHBondContact O-N 3.14Å; P132-T135 PolarHBondContact O-OG1 3.2Å
133	A	51.2	Low	58.9	Low	104 Å²	104	92.3 Å²	92.3	86%	0.86	49%	0.49	S	S	*	.	G	3₁₀ helix	trans	-76.6	-13.1	-178.9	0	0	0	0	0	114.4	H131	H131-A133 PolarHBondContact O-N 3.08Å
134	L	45	Very low	60.1	Low	143 Å²	143	89.7 Å²	89.7	75%	0.749	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-105.8	24.3	177.8	-110.5	121.3	0	0	0	112.2	H131 P132 S136	H131-L134 HydrophobicContact CB-CB 4.29Å; H131-L134 PolarHBondContact O-N 3.18Å; P132-L134 VanDerWaalsContact C-N 3.32Å; P132-L134 PolarHBondContact O-N 3.14Å; L134-S136 PolarHBondContact O-N 3.26Å
135	T	41.3	Very low	62	Low	44 Å²	44	92.9 Å²	92.9	27%	0.27	49%	0.491	S	S	.	.			trans	-67.7	93.3	177.3	-53.2	0	0	0	0	109.2	T125 P132 R137	T125-T135 HydrophobicContact CG2-CG2 4.15Å; P132-T135 PolarHBondContact O-OG1 3.2Å; T135-R137 PolarHBondContact O-N 2.99Å
136	S	42.6	Very low	64.3	Low	81 Å²	81	91.7 Å²	91.7	57%	0.566	48%	0.478	S	S	*	.			trans	-65	116.6	168.8	-171.3	0	0	0	0	108.4	L134 L138	L134-S136 PolarHBondContact O-N 3.26Å; S136-L138 VanDerWaalsContact C-N 3.31Å; S136-L138 PolarHBondContact O-N 3.1Å
137	R	49.9	Very low	66.6	Low	195 Å²	195	90.1 Å²	90.1	74%	0.736	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.2	88.4	173.4	-75.5	-179.5	174.9	168.7	-2.2	108	T135 L139	T135-R137 PolarHBondContact O-N 2.99Å; R137-L139 PolarHBondContact O-N 3.41Å
138	L	58.4	Low	69.2	Low	88 Å²	88	86.5 Å²	86.5	46%	0.461	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	113.4	172	-85.8	152.8	0	0	0	107.7	G124 S136 V140	G124-L138 WeakPolarHBondContact CA-O 3.38Å; G124-L138 PolarHBondContact N-O 3.02Å; S136-L138 VanDerWaalsContact C-N 3.31Å; S136-L138 PolarHBondContact O-N 3.1Å; L138-V140 PolarHBondContact O-N 3.13Å
139	L	65.9	Low	71.7	Confident	72 Å²	72	87.7 Å²	87.7	38%	0.377	43%	0.433	S	S	.	.			trans	-54.1	121.9	166	-87.4	132.3	0	0	0	108	R99 D122 R137	R99-L139 WeakPolarHBondContact CD-O 3.25Å; R99-L139 PolarHBondContact NE-O 3.03Å; R99-L139 PolarHBondContact NH1-O 3.47Å; R99-L139 VanDerWaalsContact NH1-O 3.1Å; D122-L139 VanDerWaalsContact O-CA 3.25Å; D122-L139 WeakPolarHBondContact O-CA 3.17Å; D122-L139 WeakPolarHBondContact O-CD2 3.2Å; D122-L139 VanDerWaalsContact O-CG 3.25Å; D122-L139 WeakPolarHBondContact O-CG 3.36Å; R137-L139 PolarHBondContact O-N 3.41Å
140	V	85.9	Confident	73.9	Confident	21 Å²	21	80.8 Å²	80.8	13%	0.127	42%	0.415	C	S	.	.			trans	-89.9	-58.5	-179.4	-178.5	0	0	0	0	108.4	A93 R99 V100 L138	A93-V140 HydrophobicContact CB-CG1 3.61Å; R99-V140 VanDerWaalsContact NH1-C 3.33Å; R99-V140 PolarHBondContact NH1-O 3.19Å; V100-V140 HydrophobicContact CG2-CG1 4.5Å; V100-V140 PolarHBondContact N-O 3.33Å; L138-V140 PolarHBondContact O-N 3.13Å
141	I	95.6	Very high	75.9	Confident	4 Å²	4	70.3 Å²	70.3	2%	0.021	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	133.5	-179.4	-46.2	177.8	0	0	0	111	M90 A93 V100 I116 L121 I143	M90-I141 HydrophobicContact CB-CD1 4.46Å; M90-I141 HydrophobicContact CG-CD1 3.91Å; A93-I141 HydrophobicContact CB-CD1 3.69Å; A93-I141 HydrophobicContact CB-CG1 3.77Å; V100-I141 HydrophobicContact CB-CB 4.47Å; V100-I141 HydrophobicContact CB-CG1 4.12Å; V100-I141 HydrophobicContact CB-CG2 4.34Å; V100-I141 HydrophobicContact CG1-CG2 4.4Å; V100-I141 HydrophobicContact CG2-CG1 4.45Å; V100-I141 CarbonylContact O-C 3.55Å; V100-I141 VanDerWaalsContact O-CA 3.32Å; V100-I141 WeakPolarHBondContact O-CA 3.45Å; I116-I141 HydrophobicContact CD1-CB 4.29Å; I116-I141 HydrophobicContact CD1-CG2 3.6Å; I116-I141 HydrophobicContact CG1-CD1 4.29Å; I116-I141 HydrophobicContact CG1-CG2 4.34Å; I116-I141 HydrophobicContact CG2-CB 3.93Å; I116-I141 HydrophobicContact CG2-CD1 4.3Å; I116-I141 HydrophobicContact CG2-CG2 4.44Å; L121-I141 HydrophobicContact CB-CD1 3.69Å; L121-I141 HydrophobicContact CB-CG1 4.23Å; L121-I141 HydrophobicContact CD1-CD1 4.11Å; L121-I141 HydrophobicContact CG-CD1 4.47Å; L121-I141 PolarHBondContact O-N 3.46Å; L121-I141 VanDerWaalsContact O-N 3.11Å; I141-I143 HydrophobicContact CG2-CD1 4.17Å
142	T	95.3	Very high	78	Confident	34 Å²	34	68.4 Å²	68.4	21%	0.209	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	131	168	-71.8	0	0	0	0	109.9	R99 V100 I101 G102 P155	R99-T142 VanDerWaalsContact CZ-OG1 3.25Å; R99-T142 PolarHBondContact NH1-OG1 3.21Å; R99-T142 PolarHBondContact NH2-OG1 2.99Å; V100-T142 PolarHBondContact O-N 2.93Å; I101-T142 CarbonylContact C-O 3.59Å; I101-T142 WeakPolarHBondContact CA-O 3.49Å; G102-T142 PolarHBondContact N-O 2.73Å; T142-P155 HydrophobicContact CG2-CG 4.21Å
143	I	96.7	Very high	80.1	Confident	11 Å²	11	71.3 Å²	71.3	6%	0.056	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	123.4	176.2	-56.7	-57.6	0	0	0	109.2	G102 A109 Q113 I116 I141	G102-I143 CarbonylContact O-C 3.55Å; G102-I143 VanDerWaalsContact O-CA 3.29Å; G102-I143 WeakPolarHBondContact O-CA 3.45Å; A109-I143 HydrophobicContact CB-CG2 3.9Å; Q113-I143 HydrophobicContact CG-CB 3.73Å; Q113-I143 HydrophobicContact CG-CG1 4.12Å; Q113-I143 HydrophobicContact CG-CG2 4.32Å; Q113-I143 PolarHBondContact NE2-O 2.85Å; I116-I143 HydrophobicContact CD1-CD1 3.65Å; I116-I143 HydrophobicContact CD1-CG1 3.43Å; I116-I143 VanDerWaalsContact CD1-CG1 3.43Å; I141-I143 HydrophobicContact CG2-CD1 4.17Å
144	V	96.6	Very high	82.2	Confident	25 Å²	25	66.7 Å²	66.7	15%	0.152	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	115.2	174.5	-179	0	0	0	0	108	I101 G102 I103 E104 Q146 V151 P155	I101-V144 HydrophobicContact CG2-CG2 4.19Å; G102-V144 PolarHBondContact O-N 3.34Å; I103-V144 WeakPolarHBondContact CA-O 3.35Å; I103-V144 HydrophobicContact CG1-CB 4.36Å; E104-V144 PolarHBondContact N-O 3.27Å; E104-V144 VanDerWaalsContact N-O 3.08Å; V144-Q146 HydrophobicContact CG1-CB 4.27Å; V144-Q146 HydrophobicContact CG1-CG 4.2Å; V144-Q146 PolarHBondContact O-N 3.25Å; V144-V151 HydrophobicContact CG1-CG2 4.01Å; V144-P155 HydrophobicContact CG2-CG 3.67Å
145	Q	95.8	Very high	84.5	Confident	81 Å²	81	61.4 Å²	61.4	38%	0.379	32%	0.32	S	S	.	.			trans	-86.8	79.8	-179.4	-170.3	-177.6	0.7	0	0	111.7	E104 S106 A109	E104-Q145 CarbonylContact O-C 3.54Å; E104-Q145 WeakPolarHBondContact O-CA 3.45Å; S106-Q145 PolarHBondContact O-NE2 3.17Å; A109-Q145 HydrophobicContact CB-CB 3.83Å; A109-Q145 HydrophobicContact CB-CG 3.64Å
146	Q	94.6	Very high	86.7	Confident	92 Å²	92	64.6 Å²	64.6	43%	0.43	34%	0.336	S	S	.	.	S	Bend	trans	-153.9	163.5	-179.2	-67.8	-172.5	-23.7	0	0	110.5	I103 E104 V144 V151	I103-Q146 VanDerWaalsContact CG2-O 3.25Å; I103-Q146 WeakPolarHBondContact CG2-O 3.3Å; E104-Q146 CarbonylContact C-O 3.59Å; E104-Q146 PolarHBondContact O-N 3.08Å; V144-Q146 HydrophobicContact CG1-CB 4.27Å; V144-Q146 HydrophobicContact CG1-CG 4.2Å; V144-Q146 PolarHBondContact O-N 3.25Å; Q146-V151 HydrophobicContact CB-CG2 3.85Å
147	K	94.6	Very high	89	Confident	62 Å²	62	64 Å²	64	27%	0.27	34%	0.343	S	S	.	.			trans	-65	142	162.8	-63.8	-176.8	178.6	176.8	0	108.5	F105 E149 D150 V151	F105-K147 HydrophobicContact CB-CG 4.14Å; F105-K147 HydrophobicContact CD1-CG 4.15Å; F105-K147 HydrophobicContact CD2-CB 4.49Å; F105-K147 HydrophobicContact CD2-CG 3.52Å; F105-K147 HydrophobicContact CE1-CG 4.48Å; F105-K147 HydrophobicContact CE2-CG 3.9Å; F105-K147 HydrophobicContact CG-CG 3.66Å; F105-K147 HydrophobicContact CZ-CG 4.37Å; K147-E149 PolarHBondContact O-N 3.06Å; K147-D150 HydrophobicContact CB-CB 4.25Å; K147-D150 WeakPolarHBondContact CB-OD2 3.31Å; K147-D150 PolarHBondContact O-N 2.82Å; K147-D150 VanDerWaalsContact O-N 3.09Å; K147-V151 PolarHBondContact O-N 3.05Å
148	V	96.4	Very high	91.2	Very high	5 Å²	5	56 Å²	56	3%	0.03	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-61.4	-38.8	-176.5	176.1	0	0	0	0	110.7	V81 I103 D150 V151 T181 F184 A185 W189	V81-V148 HydrophobicContact CG1-CG2 4.17Å; I103-V148 HydrophobicContact CB-CG2 3.98Å; I103-V148 HydrophobicContact CD1-CG1 4.43Å; I103-V148 HydrophobicContact CD1-CG2 4.48Å; I103-V148 HydrophobicContact CG2-CB 4.38Å; I103-V148 HydrophobicContact CG2-CG2 3.6Å; V148-D150 VanDerWaalsContact C-N 3.25Å; V148-D150 PolarHBondContact O-N 3.03Å; V148-V151 PolarHBondContact O-N 2.84Å; V148-T181 HydrophobicContact CB-CG2 3.41Å; V148-T181 VanDerWaalsContact CB-CG2 3.41Å; V148-T181 HydrophobicContact CG1-CG2 3.74Å; V148-T181 HydrophobicContact CG2-CG2 3.47Å; V148-T181 VanDerWaalsContact CG2-CG2 3.47Å; V148-F184 HydrophobicContact CG1-CD1 4.25Å; V148-A185 HydrophobicContact CG1-CB 4.15Å; V148-W189 HydrophobicContact CG1-CH2 4.26Å; V148-W189 HydrophobicContact CG1-CZ3 3.67Å; V148-W189 WeakPolarHBondContact O-CH2 3.39Å
149	E	96	Very high	93	Very high	73 Å²	73	59.7 Å²	59.7	34%	0.341	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-64.4	-30.3	179	-61.1	78.3	-174	0	0	112.3	K147 T181 F184	K147-E149 PolarHBondContact O-N 3.06Å; E149-T181 WeakPolarHBondContact OE1-CA 3.3Å; E149-T181 VanDerWaalsContact OE1-CB 3.29Å; E149-T181 WeakPolarHBondContact OE1-CB 3.47Å; E149-T181 WeakPolarHBondContact OE1-CG2 3.28Å; E149-T181 PolarHBondContact OE1-OG1 2.87Å; E149-F184 HydrophobicContact CB-CE1 4.44Å; E149-F184 HydrophobicContact CB-CZ 4.33Å; E149-F184 HydrophobicContact CG-CD1 4.29Å; E149-F184 HydrophobicContact CG-CD2 4.28Å; E149-F184 HydrophobicContact CG-CE1 4.5Å; E149-F184 HydrophobicContact CG-CE2 4.47Å; E149-F184 HydrophobicContact CG-CG 4.18Å
150	D	96.4	Very high	94.5	Very high	111 Å²	111	60.3 Å²	60.3	59%	0.594	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-86.6	-13.5	-177.5	-64.3	-24.1	0	0	0	113.4	K147 V148 A152	K147-D150 HydrophobicContact CB-CB 4.25Å; K147-D150 WeakPolarHBondContact CB-OD2 3.31Å; K147-D150 PolarHBondContact O-N 2.82Å; K147-D150 VanDerWaalsContact O-N 3.09Å; V148-D150 VanDerWaalsContact C-N 3.25Å; V148-D150 PolarHBondContact O-N 3.03Å; D150-A152 PolarHBondContact O-N 2.94Å; D150-A152 VanDerWaalsContact O-N 3.1Å
151	V	95.9	Very high	95.1	Very high	2 Å²	2	59.3 Å²	59.3	1%	0.012	32%	0.323	C	S	.	.			trans	-70.4	108.8	177.1	176.1	0	0	0	0	109.3	I103 V144 Q146 K147 V148 E153 L154 K188 W189	I103-V151 HydrophobicContact CD1-CG2 4.11Å; I103-V151 HydrophobicContact CG2-CG2 4.17Å; V144-V151 HydrophobicContact CG1-CG2 4.01Å; Q146-V151 HydrophobicContact CB-CG2 3.85Å; K147-V151 PolarHBondContact O-N 3.05Å; V148-V151 PolarHBondContact O-N 2.84Å; V151-E153 WeakPolarHBondContact CG1-O 3.48Å; V151-L154 HydrophobicContact CG1-CD2 4.35Å; V151-K188 PolarHBondContact O-NZ 2.84Å; V151-W189 HydrophobicContact CB-CH2 4.01Å; V151-W189 HydrophobicContact CB-CZ2 4.2Å; V151-W189 HydrophobicContact CG1-CH2 4.28Å; V151-W189 HydrophobicContact CG1-CZ2 4.07Å; V151-W189 WeakPolarHBondContact O-CZ2 3.32Å
152	A	93.4	Very high	95.2	Very high	81 Å²	81	60.2 Å²	60.2	67%	0.669	33%	0.328	S	S	*	.			trans	-66.1	-54.3	179.4	0	0	0	0	0	111.9	D150	D150-A152 PolarHBondContact O-N 2.94Å; D150-A152 VanDerWaalsContact O-N 3.1Å
153	E	94.5	Very high	95.4	Very high	169 Å²	169	58.6 Å²	58.6	79%	0.79	32%	0.318	S	S	*	.	S	Bend	trans	-134	142.7	-178.2	-65.6	179.8	-178.1	0	0	110	V151	V151-E153 WeakPolarHBondContact CG1-O 3.48Å
154	L	95.7	Very high	95.5	Very high	7 Å²	7	58 Å²	58	4%	0.037	32%	0.315	C	S	.	.			trans	-74.3	153.7	174.1	-61	172.8	0	0	0	110.3	L79 I101 I103 V151 I158 V161 W189	L79-L154 HydrophobicContact CD1-CD2 4.21Å; I101-L154 HydrophobicContact CD1-CB 4.05Å; I101-L154 HydrophobicContact CD1-CD1 4.31Å; I101-L154 HydrophobicContact CG2-CD2 4.41Å; I103-L154 HydrophobicContact CD1-CD2 4.12Å; V151-L154 HydrophobicContact CG1-CD2 4.35Å; L154-I158 HydrophobicContact CB-CB 4.28Å; L154-I158 HydrophobicContact CB-CG2 4.47Å; L154-I158 WeakPolarHBondContact CB-O 3.42Å; L154-I158 HydrophobicContact CD1-CG2 4.05Å; L154-V161 HydrophobicContact CD1-CG1 3.66Å; L154-W189 HydrophobicContact CD1-CB 4.1Å; L154-W189 HydrophobicContact CD1-CD2 4.12Å; L154-W189 HydrophobicContact CD1-CG 3.68Å; L154-W189 HydrophobicContact CD2-CD2 4.17Å; L154-W189 HydrophobicContact CD2-CH2 4.5Å; L154-W189 HydrophobicContact CD2-CZ2 4.09Å; L154-W189 HydrophobicContact CG-CD2 4.17Å; L154-W189 HydrophobicContact CG-CG 4.16Å; L154-W189 HydrophobicContact CG-CZ2 4.37Å
155	P	92.9	Very high	95.6	Very high	31 Å²	31	56.9 Å²	56.9	20%	0.201	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-56	158.4	179	-25.5	34.2	0	0	0	114.4	I101 T142 V144 G157 I158	I101-P155 HydrophobicContact CG2-CG 4.42Å; T142-P155 HydrophobicContact CG2-CG 4.21Å; V144-P155 HydrophobicContact CG2-CG 3.67Å; P155-G157 PolarHBondContact O-N 3.17Å; P155-I158 WeakPolarHBondContact O-CB 3.25Å; P155-I158 WeakPolarHBondContact O-CG1 3.31Å; P155-I158 PolarHBondContact O-N 3.28Å
156	D	88	Confident	95.7	Very high	111 Å²	111	53 Å²	53	59%	0.594	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	60.5	22.8	173	-45.2	-45.3	0	0	0	115.7	R99 I158	R99-D156 IonicContact CZ-OD2 3.11Å; R99-D156 IonicContact NE-OD2 2.73Å; R99-D156 PolarHBondContact NE-OD2 3.25Å; R99-D156 IonicContact NH2-OD1 3.84Å; R99-D156 IonicContact NH2-OD2 2.65Å; R99-D156 PolarHBondContact NH2-OD2 3.38Å; D156-I158 VanDerWaalsContact C-N 3.28Å; D156-I158 HydrophobicContact CB-CD1 4.47Å; D156-I158 PolarHBondContact O-N 2.68Å
157	G	91	Very high	95.8	Very high	70 Å²	70	50.1 Å²	50.1	72%	0.722	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	70.1	24.5	-178.2	0	0	0	0	0	113.3	P155 E159	P155-G157 PolarHBondContact O-N 3.17Å; G157-E159 PolarHBondContact O-N 2.91Å
158	I	94.7	Very high	95.9	Very high	27 Å²	27	47.3 Å²	47.3	14%	0.138	26%	0.264	C	S	.	.			trans	-76.8	108.7	176.2	-69.2	167.8	0	0	0	108.9	V77 R99 I101 L154 P155 D156 V161	V77-I158 HydrophobicContact CG1-CD1 3.97Å; V77-I158 HydrophobicContact CG1-CG2 3.91Å; R99-I158 HydrophobicContact CB-CD1 4.36Å; R99-I158 HydrophobicContact CG-CD1 3.8Å; I101-I158 HydrophobicContact CD1-CB 4.46Å; I101-I158 HydrophobicContact CD1-CD1 3.82Å; I101-I158 HydrophobicContact CD1-CG2 4.33Å; L154-I158 HydrophobicContact CB-CB 4.28Å; L154-I158 HydrophobicContact CB-CG2 4.47Å; L154-I158 WeakPolarHBondContact CB-O 3.42Å; L154-I158 HydrophobicContact CD1-CG2 4.05Å; P155-I158 WeakPolarHBondContact O-CB 3.25Å; P155-I158 WeakPolarHBondContact O-CG1 3.31Å; P155-I158 PolarHBondContact O-N 3.28Å; D156-I158 VanDerWaalsContact C-N 3.28Å; D156-I158 HydrophobicContact CB-CD1 4.47Å; D156-I158 PolarHBondContact O-N 2.68Å; I158-V161 HydrophobicContact CG2-CG1 4.14Å
159	E	96.2	Very high	95.8	Very high	165 Å²	165	47.5 Å²	47.5	77%	0.771	27%	0.265	S	S	*	.			trans	-82.3	-33.1	177.1	-64.8	179.8	178.9	0	0	113	G157	G157-E159 PolarHBondContact O-N 2.91Å
160	K	97.8	Very high	95.7	Very high	85 Å²	85	44.4 Å²	44.4	37%	0.37	25%	0.252	S	S	.	.			trans	-142.7	144.8	-175.1	-67.3	-68.4	-171.1	175.8	0	112.1	K188 W189 K191	K160-K188 PolarHBondContact NZ-O 3.38Å; K160-W189 CarbonylContact C-O 3.59Å; K160-W189 WeakPolarHBondContact CA-O 3.44Å; K160-W189 WeakPolarHBondContact CD-O 3.4Å; K160-K191 HydrophobicContact CB-CD 4.43Å; K160-K191 HydrophobicContact CB-CG 3.62Å; K160-K191 HydrophobicContact CG-CG 4.43Å; K160-K191 WeakPolarHBondContact O-CE 3.28Å
161	V	98.4	Very high	95.6	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	150	179.8	-55.8	0	0	0	0	111.6	V77 L79 L154 I158 I164 W189 L190 K191	V77-V161 HydrophobicContact CG1-CB 4.28Å; V77-V161 HydrophobicContact CG1-CG1 3.88Å; L79-V161 HydrophobicContact CB-CB 4.31Å; L79-V161 HydrophobicContact CB-CG1 4.11Å; L79-V161 HydrophobicContact CB-CG2 3.95Å; L79-V161 HydrophobicContact CD2-CG2 4.49Å; L154-V161 HydrophobicContact CD1-CG1 3.66Å; I158-V161 HydrophobicContact CG2-CG1 4.14Å; V161-I164 HydrophobicContact CG2-CG1 3.99Å; V161-W189 HydrophobicContact CG2-CB 4.24Å; V161-W189 PolarHBondContact N-O 2.76Å; V161-L190 HydrophobicContact CG2-CD1 4.3Å; V161-K191 WeakPolarHBondContact O-CG 3.14Å; V161-K191 PolarHBondContact O-N 2.98Å; V161-K191 VanDerWaalsContact O-N 3.08Å
162	D	98.5	Very high	95.5	Very high	22 Å²	22	41.8 Å²	41.8	12%	0.118	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-31.2	179.2	-59.6	-72.6	0	0	0	111.8	K76 V77 K191 G194 M195	K76-D162 HydrophobicContact CB-CB 3.91Å; K76-D162 HydrophobicContact CD-CB 3.9Å; K76-D162 HydrophobicContact CG-CB 4.17Å; V77-D162 PolarHBondContact N-OD2 3.32Å; V77-D162 PolarHBondContact O-N 2.88Å; D162-K191 VanDerWaalsContact CG-NZ 3.34Å; D162-K191 WeakPolarHBondContact OD1-CD 3.41Å; D162-K191 WeakPolarHBondContact OD1-CE 3.04Å; D162-K191 IonicContact OD1-NZ 3.51Å; D162-K191 PolarHBondContact OD1-NZ 3.45Å; D162-K191 IonicContact OD2-NZ 2.98Å; D162-K191 PolarHBondContact OD2-NZ 3.09Å; D162-G194 CarbonylContact O-C 3.57Å; D162-G194 WeakPolarHBondContact O-CA 3.33Å; D162-M195 PolarHBondContact O-N 2.99Å
163	I	98.7	Very high	95.5	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	136.5	-175.3	-54.6	179.4	0	0	0	109.6	F73 K76 V77 V78 L79 V165 M195 F197	F73-I163 HydrophobicContact CD1-CD1 3.64Å; F73-I163 HydrophobicContact CD2-CD1 4.31Å; F73-I163 HydrophobicContact CE1-CD1 3.72Å; F73-I163 HydrophobicContact CE1-CG2 3.93Å; F73-I163 HydrophobicContact CE2-CD1 4.36Å; F73-I163 HydrophobicContact CG-CD1 3.94Å; F73-I163 HydrophobicContact CZ-CD1 4.07Å; F73-I163 HydrophobicContact CZ-CG2 4.19Å; K76-I163 HydrophobicContact CB-CD1 4.29Å; K76-I163 HydrophobicContact CG-CD1 4.32Å; V77-I163 PolarHBondContact O-N 3.33Å; V78-I163 CarbonylContact C-O 3.24Å; V78-I163 WeakPolarHBondContact CA-O 2.91Å; V78-I163 HydrophobicContact CG1-CB 4.28Å; V78-I163 HydrophobicContact CG1-CG2 4.3Å; V78-I163 HydrophobicContact CG2-CB 4.21Å; V78-I163 HydrophobicContact CG2-CD1 4.44Å; L79-I163 PolarHBondContact N-O 2.71Å; I163-V165 HydrophobicContact CG2-CG1 4.02Å; I163-M195 CarbonylContact C-O 3.56Å; I163-M195 VanDerWaalsContact CA-O 3.24Å; I163-M195 WeakPolarHBondContact CA-O 3.41Å; I163-M195 HydrophobicContact CD1-CE 3.81Å; I163-M195 HydrophobicContact CG1-CB 4.42Å; I163-M195 HydrophobicContact CG1-CE 3.83Å; I163-F197 HydrophobicContact CG2-CD2 3.88Å; I163-F197 HydrophobicContact CG2-CE2 4.33Å
164	I	98.8	Very high	95.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	125.7	161.9	-70.1	168.3	0	0	0	107.8	L79 V81 V161 V182 A185 R186 L190 M195 I196 F197	L79-I164 HydrophobicContact CB-CG1 4.15Å; L79-I164 HydrophobicContact CD2-CG1 4.22Å; L79-I164 CarbonylContact O-C 3.56Å; L79-I164 WeakPolarHBondContact O-CA 3.48Å; V81-I164 HydrophobicContact CG2-CG2 4Å; V161-I164 HydrophobicContact CG2-CG1 3.99Å; I164-V182 HydrophobicContact CG2-CG1 4.49Å; I164-A185 HydrophobicContact CD1-CB 4.19Å; I164-R186 HydrophobicContact CD1-CB 4.25Å; I164-L190 HydrophobicContact CD1-CB 3.97Å; I164-L190 HydrophobicContact CD1-CD1 4.05Å; I164-L190 HydrophobicContact CD1-CG 4.42Å; I164-L190 HydrophobicContact CG1-CD1 4.01Å; I164-M195 PolarHBondContact N-O 3.35Å; I164-I196 HydrophobicContact CB-CG2 4.44Å; I164-I196 HydrophobicContact CG2-CG2 4.38Å; I164-I196 CarbonylContact O-C 3.4Å; I164-I196 WeakPolarHBondContact O-CA 3.47Å; I164-F197 PolarHBondContact O-N 3.41Å
165	V	98.6	Very high	95.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	138.3	166.1	-59.4	0	0	0	0	107.4	F73 V78 L79 D80 V81 L88 I163 F197	F73-V165 HydrophobicContact CE1-CG1 4.02Å; F73-V165 HydrophobicContact CZ-CG1 4.33Å; V78-V165 HydrophobicContact CG1-CG1 3.9Å; V78-V165 HydrophobicContact CG1-CG2 3.9Å; L79-V165 PolarHBondContact O-N 3.36Å; D80-V165 WeakPolarHBondContact CA-O 3.48Å; D80-V165 HydrophobicContact CB-CG2 3.7Å; V81-V165 PolarHBondContact N-O 3.1Å; L88-V165 HydrophobicContact CB-CG2 4.3Å; I163-V165 HydrophobicContact CG2-CG1 4.02Å; V165-F197 WeakPolarHBondContact CA-O 3.35Å; V165-F197 HydrophobicContact CB-CB 4.44Å; V165-F197 HydrophobicContact CG1-CB 3.95Å
166	S	98.3	Very high	94.5	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.007	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	140.1	175.6	-173	0	0	0	0	110.5	Y62 V81 V182 F197 P198	Y62-S166 WeakPolarHBondContact CE1-O 3.21Å; Y62-S166 PolarHBondContact OH-O 3.48Å; V81-S166 PolarHBondContact O-OG 3.18Å; S166-V182 WeakPolarHBondContact OG-CG2 3.38Å; S166-F197 PolarHBondContact N-O 3.46Å; S166-P198 VanDerWaalsContact O-CD 3.31Å; S166-P198 WeakPolarHBondContact O-CD 3.38Å
167	E	97.2	Very high	94.3	Very high	30 Å²	30	28 Å²	28	14%	0.14	15%	0.153	C	C	.	.			trans	-100.2	94.4	163.1	-156.5	-72.8	86.6	0	0	106.1	R58 Y62 L88 M169 W318	R58-E167 HydrophobicContact CG-CG 4.36Å; R58-E167 IonicContact CZ-OE2 2.6Å; R58-E167 IonicContact NH1-OE2 2.72Å; R58-E167 PolarHBondContact NH1-OE2 2.73Å; Y62-E167 HydrophobicContact CE2-CB 4.49Å; Y62-E167 HydrophobicContact CE2-CG 4.01Å; Y62-E167 WeakPolarHBondContact OH-CA 3.37Å; L88-E167 HydrophobicContact CD1-CB 4.14Å; E167-M169 HydrophobicContact CG-CE 4.32Å; E167-M169 PolarHBondContact OE1-N 3.45Å; E167-W318 VanDerWaalsContact OE1-CZ2 3.31Å; E167-W318 WeakPolarHBondContact OE1-CZ2 3.42Å
168	W	95.4	Very high	94.3	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.015	13%	0.126	C	C	.	.			trans	-112.6	-8.5	-171	58	-94.6	0	0	0	112.8	L173 S177 M178 L179 V182 A201 V261 L263	W168-L173 HydrophobicContact CH2-CD1 3.73Å; W168-L173 HydrophobicContact CH2-CG 4.4Å; W168-L173 HydrophobicContact CZ3-CD1 3.81Å; W168-L173 HydrophobicContact CZ3-CG 4.32Å; W168-S177 CarbonylContact O-C 3.54Å; W168-S177 VanDerWaalsContact O-CA 3.23Å; W168-S177 WeakPolarHBondContact O-CA 3.35Å; W168-S177 VanDerWaalsContact O-CB 3.24Å; W168-S177 WeakPolarHBondContact O-CB 3.34Å; W168-M178 HydrophobicContact CB-CB 3.99Å; W168-M178 PolarHBondContact O-N 3.41Å; W168-L179 HydrophobicContact CD2-CB 4.43Å; W168-L179 HydrophobicContact CD2-CD1 4.04Å; W168-L179 HydrophobicContact CE3-CB 3.7Å; W168-L179 HydrophobicContact CE3-CD1 3.88Å; W168-L179 HydrophobicContact CE3-CD2 4.37Å; W168-L179 HydrophobicContact CE3-CG 4.18Å; W168-L179 HydrophobicContact CH2-CD1 4.1Å; W168-L179 HydrophobicContact CH2-CD2 4.27Å; W168-L179 HydrophobicContact CZ2-CD1 4.26Å; W168-L179 HydrophobicContact CZ3-CB 4.02Å; W168-L179 HydrophobicContact CZ3-CD1 3.92Å; W168-L179 HydrophobicContact CZ3-CD2 3.84Å; W168-L179 HydrophobicContact CZ3-CG 4.14Å; W168-V182 HydrophobicContact CB-CG2 3.73Å; W168-V182 HydrophobicContact CG-CG2 4Å; W168-A201 HydrophobicContact CH2-CB 3.82Å; W168-A201 HydrophobicContact CZ2-CB 4.07Å; W168-V261 HydrophobicContact CH2-CG1 4.3Å; W168-L263 HydrophobicContact CH2-CD1 4.42Å; W168-L263 HydrophobicContact CZ2-CD1 3.67Å; W168-L263 HydrophobicContact CZ2-CD2 4.02Å; W168-L263 HydrophobicContact CZ2-CG 4.37Å
169	M	95.9	Very high	94.2	Very high	8 Å²	8	24.9 Å²	24.9	4%	0.039	12%	0.119	C	C	.	.			trans	-76.3	135.6	-171.1	-59.2	78.7	66.1	0	0	108.9	Y62 E167 L173 P198 F294 V296 F307 W318	Y62-M169 HydrophobicContact CE2-CE 4.2Å; Y62-M169 VanDerWaalsContact OH-CE 3.28Å; Y62-M169 WeakPolarHBondContact OH-CE 3.48Å; E167-M169 HydrophobicContact CG-CE 4.32Å; E167-M169 PolarHBondContact OE1-N 3.45Å; M169-L173 HydrophobicContact CB-CD1 4.14Å; M169-L173 HydrophobicContact CG-CD1 3.8Å; M169-P198 HydrophobicContact SD-CG 4.06Å; M169-F294 HydrophobicContact CB-CE2 4.14Å; M169-F294 HydrophobicContact CB-CZ 4.02Å; M169-F294 HydrophobicContact CG-CE2 4.21Å; M169-V296 HydrophobicContact CE-CG2 4.13Å; M169-V296 HydrophobicContact CG-CG2 4.15Å; M169-V296 HydrophobicContact SD-CG2 4.4Å; M169-F307 HydrophobicContact CE-CE1 4.29Å; M169-F307 HydrophobicContact CE-CZ 3.78Å; M169-W318 HydrophobicContact CB-CZ2 3.92Å; M169-W318 HydrophobicContact CE-CH2 3.71Å; M169-W318 HydrophobicContact CE-CZ2 3.76Å; M169-W318 PolarHBondContact O-NE1 2.76Å
170	G	93.5	Very high	94.1	Very high	8 Å²	8	20.2 Å²	20.2	8%	0.082	10%	0.099	C	C	.	.	B	Isolated β-bridge	trans	-115.3	-166.8	172	0	0	0	0	0	112.5	L173 Y175	G170-L173 PolarHBondContact N-O 3.31Å; G170-L173 VanDerWaalsContact O-CA 3.29Å; G170-L173 WeakPolarHBondContact O-CA 3.31Å; G170-L173 PolarHBondContact O-N 3.38Å; G170-L173 VanDerWaalsContact O-N 3.08Å; G170-Y175 CarbonylContact C-O 3.54Å; G170-Y175 WeakPolarHBondContact CA-O 3.5Å
171	Y	93.6	Very high	94	Very high	55 Å²	55	17.1 Å²	17.1	22%	0.216	9%	0.087	C	C	.	.	B	Isolated β-bridge	trans	-62.6	147.9	177.1	-53.4	-66.7	0	0	0	110.4	L173 F174 Y175 V242 W318	Y171-L173 PolarHBondContact O-N 3.28Å; Y171-F174 PolarHBondContact O-N 3.17Å; Y171-Y175 AromaticContact CD2-CD1 3.78Å; Y171-Y175 HydrophobicContact CD2-CD1 3.78Å; Y171-Y175 AromaticContact CD2-CE1 3.94Å; Y171-Y175 HydrophobicContact CD2-CE1 3.94Å; Y171-Y175 HydrophobicContact CG-CD1 4.4Å; Y171-Y175 PolarHBondContact N-O 2.84Å; Y171-Y175 WeakPolarHBondContact O-CB 3.15Å; Y171-Y175 PolarHBondContact O-N 3.48Å; Y171-V242 HydrophobicContact CD1-CB 4.46Å; Y171-V242 HydrophobicContact CD1-CG1 3.47Å; Y171-V242 VanDerWaalsContact CD1-CG1 3.47Å; Y171-V242 HydrophobicContact CD1-CG2 4.19Å; Y171-V242 HydrophobicContact CE1-CG1 3.68Å; Y171-V242 HydrophobicContact CG-CG1 4.14Å; Y171-V242 HydrophobicContact CG-CG2 4.02Å; Y171-W318 HydrophobicContact CD1-CB 4.5Å
172	C	94	Very high	94	Very high	4 Å²	4	17.2 Å²	17.2	3%	0.027	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	28.2	-171.4	-159.3	0	0	0	0	113.2	F174 T292 T321 F355 M376	C172-F174 PolarHBondContact O-N 2.84Å; C172-T292 PolarHBondContact SG-OG1 2.96Å; C172-T321 HydrophobicContact CB-CG2 4.14Å; C172-T321 WeakPolarHBondContact CB-OG1 3.29Å; C172-T321 PolarHBondContact N-OG1 2.88Å; C172-F355 HydrophobicContact CB-CZ 4.38Å; C172-M376 HydrophobicContact CB-SD 4.44Å
173	L	94.1	Very high	93.9	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.084	C	C	.	.	B	Isolated β-bridge	trans	67.3	-41.8	-171.1	-174.8	60.6	0	0	0	115.6	W168 M169 G170 Y171 A201 L203 V261 F294	W168-L173 HydrophobicContact CH2-CD1 3.73Å; W168-L173 HydrophobicContact CH2-CG 4.4Å; W168-L173 HydrophobicContact CZ3-CD1 3.81Å; W168-L173 HydrophobicContact CZ3-CG 4.32Å; M169-L173 HydrophobicContact CB-CD1 4.14Å; M169-L173 HydrophobicContact CG-CD1 3.8Å; G170-L173 PolarHBondContact N-O 3.31Å; G170-L173 VanDerWaalsContact O-CA 3.29Å; G170-L173 WeakPolarHBondContact O-CA 3.31Å; G170-L173 PolarHBondContact O-N 3.38Å; G170-L173 VanDerWaalsContact O-N 3.08Å; Y171-L173 PolarHBondContact O-N 3.28Å; L173-A201 HydrophobicContact CD1-CB 3.9Å; L173-A201 HydrophobicContact CD2-CB 3.92Å; L173-L203 HydrophobicContact CB-CD1 4.09Å; L173-L203 HydrophobicContact CD2-CB 4.34Å; L173-V261 HydrophobicContact CD2-CG2 4.48Å; L173-F294 HydrophobicContact CB-CB 4.1Å; L173-F294 HydrophobicContact CB-CD1 3.96Å; L173-F294 HydrophobicContact CB-CG 4.09Å; L173-F294 HydrophobicContact CD1-CB 4.32Å; L173-F294 HydrophobicContact CD1-CD1 4.42Å; L173-F294 HydrophobicContact CD1-CD2 3.98Å; L173-F294 HydrophobicContact CD1-CE2 4.35Å; L173-F294 HydrophobicContact CD1-CG 4.01Å; L173-F294 HydrophobicContact CD2-CB 4.32Å; L173-F294 HydrophobicContact CG-CB 4.5Å
174	F	91.9	Very high	93.8	Very high	14 Å²	14	19.9 Å²	19.9	6%	0.061	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-24.2	-166.9	-58.5	-69.5	0	0	0	114.9	Y171 C172 S177 L179 L203 V261 L271 W273 L353	Y171-F174 PolarHBondContact O-N 3.17Å; C172-F174 PolarHBondContact O-N 2.84Å; F174-S177 VanDerWaalsContact O-CB 3.25Å; F174-S177 WeakPolarHBondContact O-CB 3.35Å; F174-S177 PolarHBondContact O-N 2.72Å; F174-S177 PolarHBondContact O-OG 2.61Å; F174-L179 HydrophobicContact CD1-CD2 4.18Å; F174-L179 HydrophobicContact CE1-CD2 4.05Å; F174-L203 HydrophobicContact CE2-CD2 4.2Å; F174-V261 HydrophobicContact CE1-CG2 3.92Å; F174-V261 HydrophobicContact CZ-CG2 3.74Å; F174-L271 HydrophobicContact CE1-CD2 4.18Å; F174-W273 AromaticContact CE2-CZ2 3.93Å; F174-W273 HydrophobicContact CE2-CZ2 3.93Å; F174-W273 AromaticContact CE2-NE1 3.81Å; F174-L353 HydrophobicContact CB-CD1 3.76Å
175	Y	88.5	Confident	93.8	Very high	19 Å²	19	19.9 Å²	19.9	8%	0.075	10%	0.099	C	C	.	.	B	Isolated β-bridge	trans	-71.3	134.2	-178.2	169.9	-99.9	0	0	0	109.6	G170 Y171 S177 M376 H377	G170-Y175 CarbonylContact C-O 3.54Å; G170-Y175 WeakPolarHBondContact CA-O 3.5Å; Y171-Y175 AromaticContact CD2-CD1 3.78Å; Y171-Y175 HydrophobicContact CD2-CD1 3.78Å; Y171-Y175 AromaticContact CD2-CE1 3.94Å; Y171-Y175 HydrophobicContact CD2-CE1 3.94Å; Y171-Y175 HydrophobicContact CG-CD1 4.4Å; Y171-Y175 PolarHBondContact N-O 2.84Å; Y171-Y175 WeakPolarHBondContact O-CB 3.15Å; Y171-Y175 PolarHBondContact O-N 3.48Å; Y175-S177 PolarHBondContact O-N 3.02Å; Y175-M376 VanDerWaalsContact CB-SD 3.58Å; Y175-M376 HydrophobicContact CD1-CE 4.05Å; Y175-M376 HydrophobicContact CD1-CG 4.1Å; Y175-M376 HydrophobicContact CD1-SD 3.95Å; Y175-M376 HydrophobicContact CD2-CB 3.96Å; Y175-M376 HydrophobicContact CD2-CG 3.63Å; Y175-M376 WeakPolarHBondContact CD2-O 3.34Å; Y175-M376 HydrophobicContact CD2-SD 4.09Å; Y175-M376 HydrophobicContact CE1-CG 4.31Å; Y175-M376 HydrophobicContact CE2-CB 4.3Å; Y175-M376 HydrophobicContact CE2-CG 3.9Å; Y175-M376 VanDerWaalsContact CE2-O 3.28Å; Y175-M376 WeakPolarHBondContact CE2-O 3.47Å; Y175-M376 HydrophobicContact CG-CB 4.44Å; Y175-M376 HydrophobicContact CG-CE 4.31Å; Y175-M376 HydrophobicContact CG-CG 3.73Å; Y175-M376 HydrophobicContact CG-SD 3.59Å; Y175-M376 VanDerWaalsContact CG-SD 3.59Å; Y175-H377 PolarHBondContact OH-O 3.21Å; Y175-H377 VanDerWaalsContact OH-O 3.06Å; Y175-H377 PolarHBondContact OH-OXT 3.43Å
176	E	80.4	Confident	93.8	Very high	47 Å²	47	20.9 Å²	20.9	22%	0.22	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	54	16.4	-171.6	-73.3	-170.2	143.6	0	0	114.9	Y39	Y39-E176 HydrophobicContact CD2-CB 4.25Å; Y39-E176 HydrophobicContact CD2-CG 4.05Å; Y39-E176 WeakPolarHBondContact CD2-OE1 3.25Å; Y39-E176 HydrophobicContact CE2-CB 3.91Å; Y39-E176 HydrophobicContact CE2-CG 4.23Å
177	S	85.3	Confident	93.7	Very high	29 Å²	29	25.6 Å²	25.6	20%	0.203	13%	0.128	C	C	.	.			trans	-72.1	145.7	-176.9	71.5	0	0	0	0	112.3	W168 F174 Y175 L179	W168-S177 CarbonylContact O-C 3.54Å; W168-S177 VanDerWaalsContact O-CA 3.23Å; W168-S177 WeakPolarHBondContact O-CA 3.35Å; W168-S177 VanDerWaalsContact O-CB 3.24Å; W168-S177 WeakPolarHBondContact O-CB 3.34Å; F174-S177 VanDerWaalsContact O-CB 3.25Å; F174-S177 WeakPolarHBondContact O-CB 3.35Å; F174-S177 PolarHBondContact O-N 2.72Å; F174-S177 PolarHBondContact O-OG 2.61Å; Y175-S177 PolarHBondContact O-N 3.02Å; S177-L179 PolarHBondContact O-N 2.97Å
178	M	89.9	Confident	93.7	Very high	32 Å²	32	27.5 Å²	27.5	16%	0.158	14%	0.136	C	C	.	.			trans	-87.8	19	171.1	-67.1	-171.2	66.9	0	0	112.3	W168 N180 T181 V182	W168-M178 HydrophobicContact CB-CB 3.99Å; W168-M178 PolarHBondContact O-N 3.41Å; M178-N180 VanDerWaalsContact C-N 3.32Å; M178-N180 PolarHBondContact O-N 3.32Å; M178-T181 HydrophobicContact CE-CG2 4.12Å; M178-T181 WeakPolarHBondContact O-CB 3.31Å; M178-T181 PolarHBondContact O-N 2.93Å; M178-V182 PolarHBondContact O-N 2.95Å
179	L	93.5	Very high	93.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.9	-39.9	-173.6	-175.6	55.3	0	0	0	112.3	W168 F174 S177 T181 V182 I183 V261 L263 L271	W168-L179 HydrophobicContact CD2-CB 4.43Å; W168-L179 HydrophobicContact CD2-CD1 4.04Å; W168-L179 HydrophobicContact CE3-CB 3.7Å; W168-L179 HydrophobicContact CE3-CD1 3.88Å; W168-L179 HydrophobicContact CE3-CD2 4.37Å; W168-L179 HydrophobicContact CE3-CG 4.18Å; W168-L179 HydrophobicContact CH2-CD1 4.1Å; W168-L179 HydrophobicContact CH2-CD2 4.27Å; W168-L179 HydrophobicContact CZ2-CD1 4.26Å; W168-L179 HydrophobicContact CZ3-CB 4.02Å; W168-L179 HydrophobicContact CZ3-CD1 3.92Å; W168-L179 HydrophobicContact CZ3-CD2 3.84Å; W168-L179 HydrophobicContact CZ3-CG 4.14Å; F174-L179 HydrophobicContact CD1-CD2 4.18Å; F174-L179 HydrophobicContact CE1-CD2 4.05Å; S177-L179 PolarHBondContact O-N 2.97Å; L179-T181 VanDerWaalsContact C-N 3.27Å; L179-T181 PolarHBondContact O-N 2.97Å; L179-V182 PolarHBondContact O-N 3.18Å; L179-I183 HydrophobicContact CD1-CD1 4.49Å; L179-I183 HydrophobicContact CD1-CG1 4.45Å; L179-I183 HydrophobicContact CG-CD1 4.12Å; L179-I183 VanDerWaalsContact O-CG1 3.29Å; L179-I183 WeakPolarHBondContact O-CG1 3.18Å; L179-I183 PolarHBondContact O-N 2.79Å; L179-V261 HydrophobicContact CD2-CG1 3.97Å; L179-L263 HydrophobicContact CD1-CD2 4.29Å; L179-L263 HydrophobicContact CD1-CG 4.24Å; L179-L271 HydrophobicContact CD2-CD1 4.08Å; L179-L271 HydrophobicContact CD2-CD2 3.51Å; L179-L271 HydrophobicContact CD2-CG 4.47Å; L179-L271 HydrophobicContact CG-CD1 4.35Å; L179-L271 HydrophobicContact CG-CD2 4.44Å
180	N	93.6	Very high	94	Very high	67 Å²	67	28.1 Å²	28.1	36%	0.358	14%	0.139	S	C	.	.	H	α-helix	trans	-58.4	-41.8	175.2	-71	-9.8	0	0	0	111.8	M178 I183 F184 L271	M178-N180 VanDerWaalsContact C-N 3.32Å; M178-N180 PolarHBondContact O-N 3.32Å; N180-I183 WeakPolarHBondContact O-CB 3.35Å; N180-I183 PolarHBondContact O-N 3.14Å; N180-F184 PolarHBondContact O-N 2.97Å; N180-L271 WeakPolarHBondContact OD1-CD1 3.22Å
181	T	95.7	Very high	94.2	Very high	19 Å²	19	31.1 Å²	31.1	12%	0.117	15%	0.15	C	C	.	.	H	α-helix	trans	-69.4	-37	178.6	-60	0	0	0	0	111.9	V81 V148 E149 M178 L179 F184 A185	V81-T181 HydrophobicContact CG1-CG2 3.79Å; V148-T181 HydrophobicContact CB-CG2 3.41Å; V148-T181 VanDerWaalsContact CB-CG2 3.41Å; V148-T181 HydrophobicContact CG1-CG2 3.74Å; V148-T181 HydrophobicContact CG2-CG2 3.47Å; V148-T181 VanDerWaalsContact CG2-CG2 3.47Å; E149-T181 WeakPolarHBondContact OE1-CA 3.3Å; E149-T181 VanDerWaalsContact OE1-CB 3.29Å; E149-T181 WeakPolarHBondContact OE1-CB 3.47Å; E149-T181 WeakPolarHBondContact OE1-CG2 3.28Å; E149-T181 PolarHBondContact OE1-OG1 2.87Å; M178-T181 HydrophobicContact CE-CG2 4.12Å; M178-T181 WeakPolarHBondContact O-CB 3.31Å; M178-T181 PolarHBondContact O-N 2.93Å; L179-T181 VanDerWaalsContact C-N 3.27Å; L179-T181 PolarHBondContact O-N 2.97Å; T181-F184 PolarHBondContact O-N 2.91Å; T181-A185 WeakPolarHBondContact O-CB 3.41Å; T181-A185 PolarHBondContact O-N 2.89Å
182	V	97.5	Very high	94.4	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.012	18%	0.181	C	C	.	.	H	α-helix	trans	-66.2	-41.3	173.1	176.3	0	0	0	0	111.3	V81 I164 S166 W168 M178 L179 A185 R186 I196 L263	V81-V182 HydrophobicContact CB-CG2 4.42Å; V81-V182 HydrophobicContact CG1-CG2 3.95Å; I164-V182 HydrophobicContact CG2-CG1 4.49Å; S166-V182 WeakPolarHBondContact OG-CG2 3.38Å; W168-V182 HydrophobicContact CB-CG2 3.73Å; W168-V182 HydrophobicContact CG-CG2 4Å; M178-V182 PolarHBondContact O-N 2.95Å; L179-V182 PolarHBondContact O-N 3.18Å; V182-A185 PolarHBondContact O-N 2.93Å; V182-R186 WeakPolarHBondContact O-CB 3.18Å; V182-R186 PolarHBondContact O-N 2.99Å; V182-I196 HydrophobicContact CG1-CG2 4.47Å; V182-L263 HydrophobicContact CG1-CD2 3.89Å
183	I	96.9	Very high	94.4	Very high	8 Å²	8	42.3 Å²	42.3	4%	0.041	22%	0.22	C	C	.	.	H	α-helix	trans	-59.1	-47.5	173.9	-70.4	166.2	0	0	0	110.2	L179 N180 A185 R186 D187 V266 V268 L271	L179-I183 HydrophobicContact CD1-CD1 4.49Å; L179-I183 HydrophobicContact CD1-CG1 4.45Å; L179-I183 HydrophobicContact CG-CD1 4.12Å; L179-I183 VanDerWaalsContact O-CG1 3.29Å; L179-I183 WeakPolarHBondContact O-CG1 3.18Å; L179-I183 PolarHBondContact O-N 2.79Å; N180-I183 WeakPolarHBondContact O-CB 3.35Å; N180-I183 PolarHBondContact O-N 3.14Å; I183-A185 PolarHBondContact O-N 2.73Å; I183-R186 WeakPolarHBondContact O-CB 3.23Å; I183-R186 PolarHBondContact O-N 3.11Å; I183-D187 PolarHBondContact O-N 3.35Å; I183-V266 HydrophobicContact CD1-CG1 4.02Å; I183-V266 HydrophobicContact CG1-CG1 4.08Å; I183-V268 HydrophobicContact CD1-CG2 4.24Å; I183-V268 HydrophobicContact CG2-CG2 4.25Å; I183-L271 HydrophobicContact CD1-CD1 4.49Å
184	F	97.6	Very high	94.6	Very high	70 Å²	70	42.8 Å²	42.8	31%	0.307	23%	0.225	S	C	.	.	H	α-helix	trans	-58.4	-48.4	176.2	179.8	-86.1	0	0	0	111.9	V148 E149 N180 T181 R186 D187 K188 W189	V148-F184 HydrophobicContact CG1-CD1 4.25Å; E149-F184 HydrophobicContact CB-CE1 4.44Å; E149-F184 HydrophobicContact CB-CZ 4.33Å; E149-F184 HydrophobicContact CG-CD1 4.29Å; E149-F184 HydrophobicContact CG-CD2 4.28Å; E149-F184 HydrophobicContact CG-CE1 4.5Å; E149-F184 HydrophobicContact CG-CE2 4.47Å; E149-F184 HydrophobicContact CG-CG 4.18Å; N180-F184 PolarHBondContact O-N 2.97Å; T181-F184 PolarHBondContact O-N 2.91Å; F184-R186 VanDerWaalsContact C-N 3.32Å; F184-R186 PolarHBondContact O-N 3.12Å; F184-D187 PolarHBondContact O-N 2.8Å; F184-K188 HydrophobicContact CD1-CD 4.43Å; F184-K188 HydrophobicContact CE1-CB 4.39Å; F184-K188 HydrophobicContact CE1-CD 3.49Å; F184-K188 VanDerWaalsContact CE1-CD 3.49Å; F184-K188 HydrophobicContact CZ-CD 3.66Å; F184-K188 VanDerWaalsContact O-CB 3.27Å; F184-K188 WeakPolarHBondContact O-CB 3.38Å; F184-K188 PolarHBondContact O-N 3.4Å; F184-W189 HydrophobicContact CD1-CZ3 4.41Å; F184-W189 HydrophobicContact CE1-CH2 4.19Å; F184-W189 HydrophobicContact CE1-CZ3 4.25Å
185	A	98.1	Very high	94.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-63	-38.6	180	0	0	0	0	0	112.2	L79 V81 V148 I164 T181 V182 I183 W189	L79-A185 HydrophobicContact CD2-CB 4.04Å; V81-A185 HydrophobicContact CG2-CB 3.74Å; V148-A185 HydrophobicContact CG1-CB 4.15Å; I164-A185 HydrophobicContact CD1-CB 4.19Å; T181-A185 WeakPolarHBondContact O-CB 3.41Å; T181-A185 PolarHBondContact O-N 2.89Å; V182-A185 PolarHBondContact O-N 2.93Å; I183-A185 PolarHBondContact O-N 2.73Å; A185-W189 HydrophobicContact CB-CE3 4.04Å; A185-W189 HydrophobicContact CB-CZ3 4.24Å; A185-W189 PolarHBondContact O-N 3.25Å
186	R	98.1	Very high	95.4	Very high	21 Å²	21	42.6 Å²	42.6	8%	0.079	23%	0.225	C	C	.	.	H	α-helix	trans	-58.7	-56.4	173.9	176.1	-162.6	74.8	-162.1	-1.1	110.7	I164 V182 I183 F184 K188 L190 I196 L263 V266	I164-R186 HydrophobicContact CD1-CB 4.25Å; V182-R186 WeakPolarHBondContact O-CB 3.18Å; V182-R186 PolarHBondContact O-N 2.99Å; I183-R186 WeakPolarHBondContact O-CB 3.23Å; I183-R186 PolarHBondContact O-N 3.11Å; F184-R186 VanDerWaalsContact C-N 3.32Å; F184-R186 PolarHBondContact O-N 3.12Å; R186-K188 VanDerWaalsContact C-N 3.3Å; R186-K188 PolarHBondContact O-N 3.05Å; R186-L190 HydrophobicContact CG-CB 4.25Å; R186-L190 HydrophobicContact CG-CD2 3.89Å; R186-L190 WeakPolarHBondContact O-CB 3.26Å; R186-L190 PolarHBondContact O-N 2.86Å; R186-I196 HydrophobicContact CB-CD1 4.38Å; R186-I196 HydrophobicContact CG-CD1 3.92Å; R186-L263 WeakPolarHBondContact CD-O 3.48Å; R186-L263 PolarHBondContact NH1-O 3.25Å; R186-V266 PolarHBondContact NH1-O 3.35Å; R186-V266 PolarHBondContact NH2-O 3.34Å
187	D	97.6	Very high	96.2	Very high	100 Å²	100	40.4 Å²	40.4	54%	0.535	22%	0.215	S	C	.	.	H	α-helix	trans	-65.2	-37.8	-173.7	-66.8	-16	0	0	0	111.3	I183 F184	I183-D187 PolarHBondContact O-N 3.35Å; F184-D187 PolarHBondContact O-N 2.8Å
188	K	97.5	Very high	96.8	Very high	70 Å²	70	39 Å²	39	30%	0.304	21%	0.205	S	C	.	.	H	α-helix	trans	-76.3	-48.9	-179.5	-167.1	171.2	178.5	-177.7	0	112.8	V151 K160 F184 R186	V151-K188 PolarHBondContact O-NZ 2.84Å; K160-K188 PolarHBondContact NZ-O 3.38Å; F184-K188 HydrophobicContact CD1-CD 4.43Å; F184-K188 HydrophobicContact CE1-CB 4.39Å; F184-K188 HydrophobicContact CE1-CD 3.49Å; F184-K188 VanDerWaalsContact CE1-CD 3.49Å; F184-K188 HydrophobicContact CZ-CD 3.66Å; F184-K188 VanDerWaalsContact O-CB 3.27Å; F184-K188 WeakPolarHBondContact O-CB 3.38Å; F184-K188 PolarHBondContact O-N 3.4Å; R186-K188 VanDerWaalsContact C-N 3.3Å; R186-K188 PolarHBondContact O-N 3.05Å
189	W	98.3	Very high	97.1	Very high	10 Å²	10	37.6 Å²	37.6	4%	0.038	20%	0.198	C	C	.	.	H	α-helix	trans	-119.4	-17.4	-166.2	-62.9	-61.5	0	0	0	116.2	L79 I103 V148 V151 L154 K160 V161 F184 A185	L79-W189 HydrophobicContact CD2-CE3 3.86Å; L79-W189 HydrophobicContact CD2-CZ3 4.48Å; I103-W189 HydrophobicContact CD1-CH2 4.41Å; I103-W189 HydrophobicContact CD1-CZ3 4.36Å; V148-W189 HydrophobicContact CG1-CH2 4.26Å; V148-W189 HydrophobicContact CG1-CZ3 3.67Å; V148-W189 WeakPolarHBondContact O-CH2 3.39Å; V151-W189 HydrophobicContact CB-CH2 4.01Å; V151-W189 HydrophobicContact CB-CZ2 4.2Å; V151-W189 HydrophobicContact CG1-CH2 4.28Å; V151-W189 HydrophobicContact CG1-CZ2 4.07Å; V151-W189 WeakPolarHBondContact O-CZ2 3.32Å; L154-W189 HydrophobicContact CD1-CB 4.1Å; L154-W189 HydrophobicContact CD1-CD2 4.12Å; L154-W189 HydrophobicContact CD1-CG 3.68Å; L154-W189 HydrophobicContact CD2-CD2 4.17Å; L154-W189 HydrophobicContact CD2-CH2 4.5Å; L154-W189 HydrophobicContact CD2-CZ2 4.09Å; L154-W189 HydrophobicContact CG-CD2 4.17Å; L154-W189 HydrophobicContact CG-CG 4.16Å; L154-W189 HydrophobicContact CG-CZ2 4.37Å; K160-W189 CarbonylContact C-O 3.59Å; K160-W189 WeakPolarHBondContact CA-O 3.44Å; K160-W189 WeakPolarHBondContact CD-O 3.4Å; V161-W189 HydrophobicContact CG2-CB 4.24Å; V161-W189 PolarHBondContact N-O 2.76Å; F184-W189 HydrophobicContact CD1-CZ3 4.41Å; F184-W189 HydrophobicContact CE1-CH2 4.19Å; F184-W189 HydrophobicContact CE1-CZ3 4.25Å; A185-W189 HydrophobicContact CB-CE3 4.04Å; A185-W189 HydrophobicContact CB-CZ3 4.24Å; A185-W189 PolarHBondContact O-N 3.25Å
190	L	98.6	Very high	97.2	Very high	16 Å²	16	42.9 Å²	42.9	8%	0.084	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	138.8	-179.6	-164.8	67.5	0	0	0	110.8	V161 I164 R186 I196	V161-L190 HydrophobicContact CG2-CD1 4.3Å; I164-L190 HydrophobicContact CD1-CB 3.97Å; I164-L190 HydrophobicContact CD1-CD1 4.05Å; I164-L190 HydrophobicContact CD1-CG 4.42Å; I164-L190 HydrophobicContact CG1-CD1 4.01Å; R186-L190 HydrophobicContact CG-CB 4.25Å; R186-L190 HydrophobicContact CG-CD2 3.89Å; R186-L190 WeakPolarHBondContact O-CB 3.26Å; R186-L190 PolarHBondContact O-N 2.86Å; L190-I196 HydrophobicContact CD2-CD1 3.86Å; L190-I196 HydrophobicContact CD2-CG1 3.62Å
191	K	98.3	Very high	97.4	Very high	71 Å²	71	39.7 Å²	39.7	31%	0.309	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	155	169.8	-68.4	175.2	-170	173.7	0	110.4	K160 V161 D162 N193 G194	K160-K191 HydrophobicContact CB-CD 4.43Å; K160-K191 HydrophobicContact CB-CG 3.62Å; K160-K191 HydrophobicContact CG-CG 4.43Å; K160-K191 WeakPolarHBondContact O-CE 3.28Å; V161-K191 WeakPolarHBondContact O-CG 3.14Å; V161-K191 PolarHBondContact O-N 2.98Å; V161-K191 VanDerWaalsContact O-N 3.08Å; D162-K191 VanDerWaalsContact CG-NZ 3.34Å; D162-K191 WeakPolarHBondContact OD1-CD 3.41Å; D162-K191 WeakPolarHBondContact OD1-CE 3.04Å; D162-K191 IonicContact OD1-NZ 3.51Å; D162-K191 PolarHBondContact OD1-NZ 3.45Å; D162-K191 IonicContact OD2-NZ 2.98Å; D162-K191 PolarHBondContact OD2-NZ 3.09Å; K191-N193 PolarHBondContact O-N 3.3Å; K191-G194 WeakPolarHBondContact O-CA 3.47Å; K191-G194 PolarHBondContact O-N 2.87Å
192	P	96.4	Very high	97.4	Very high	134 Å²	134	39.2 Å²	39.2	87%	0.87	20%	0.199	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-55	-28.5	179.1	-28.7	35.7	0	0	0	115.6
193	N	94.5	Very high	97.3	Very high	160 Å²	160	39.1 Å²	39.1	86%	0.856	20%	0.198	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-111.5	24.6	175.2	-64.5	-35.9	0	0	0	112.1	K191	K191-N193 PolarHBondContact O-N 3.3Å
194	G	97.8	Very high	97.4	Very high	9 Å²	9	41 Å²	41	9%	0.093	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	166.9	176.1	0	0	0	0	0	111.8	D162 K191 Y264	D162-G194 CarbonylContact O-C 3.57Å; D162-G194 WeakPolarHBondContact O-CA 3.33Å; K191-G194 WeakPolarHBondContact O-CA 3.47Å; K191-G194 PolarHBondContact O-N 2.87Å; G194-Y264 WeakPolarHBondContact O-CE1 3.44Å
195	M	98.3	Very high	97.4	Very high	27 Å²	27	37.7 Å²	37.7	13%	0.133	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	145.5	-179.1	-60.3	173.3	-80	0	0	110.3	L72 D162 I163 I164 F197 K300	L72-M195 HydrophobicContact CB-CE 4Å; L72-M195 HydrophobicContact CB-SD 4.27Å; L72-M195 HydrophobicContact CD1-SD 4.18Å; L72-M195 HydrophobicContact CD2-CE 4.45Å; L72-M195 HydrophobicContact CD2-SD 4.06Å; L72-M195 HydrophobicContact CG-SD 4.4Å; D162-M195 PolarHBondContact O-N 2.99Å; I163-M195 CarbonylContact C-O 3.56Å; I163-M195 VanDerWaalsContact CA-O 3.24Å; I163-M195 WeakPolarHBondContact CA-O 3.41Å; I163-M195 HydrophobicContact CD1-CE 3.81Å; I163-M195 HydrophobicContact CG1-CB 4.42Å; I163-M195 HydrophobicContact CG1-CE 3.83Å; I164-M195 PolarHBondContact N-O 3.35Å; M195-F197 HydrophobicContact CB-CD2 4.25Å; M195-F197 HydrophobicContact CB-CE2 3.81Å; M195-K300 HydrophobicContact CB-CG 4.28Å; M195-K300 HydrophobicContact CG-CG 4.05Å; M195-K300 HydrophobicContact SD-CB 4.25Å; M195-K300 HydrophobicContact SD-CG 4.38Å
196	I	98.4	Very high	97.4	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	138	176.1	-50.5	173.4	0	0	0	108.1	I164 V182 R186 L190 P198 D199 L263 Y264	I164-I196 HydrophobicContact CB-CG2 4.44Å; I164-I196 HydrophobicContact CG2-CG2 4.38Å; I164-I196 CarbonylContact O-C 3.4Å; I164-I196 WeakPolarHBondContact O-CA 3.47Å; V182-I196 HydrophobicContact CG1-CG2 4.47Å; R186-I196 HydrophobicContact CB-CD1 4.38Å; R186-I196 HydrophobicContact CG-CD1 3.92Å; L190-I196 HydrophobicContact CD2-CD1 3.86Å; L190-I196 HydrophobicContact CD2-CG1 3.62Å; I196-P198 CarbonylContact C-O 3.51Å; I196-P198 WeakPolarHBondContact CG2-O 3.34Å; I196-P198 CarbonylContact O-C 3.55Å; I196-D199 HydrophobicContact CB-CB 4.34Å; I196-D199 WeakPolarHBondContact O-CB 3.22Å; I196-L263 HydrophobicContact CB-CB 4.47Å; I196-L263 HydrophobicContact CD1-CB 3.93Å; I196-L263 WeakPolarHBondContact CD1-O 3.26Å; I196-L263 HydrophobicContact CG2-CB 4.14Å; I196-L263 HydrophobicContact CG2-CD2 3.82Å; I196-Y264 HydrophobicContact CB-CE1 4.22Å; I196-Y264 HydrophobicContact CD1-CD1 3.83Å; I196-Y264 HydrophobicContact CD1-CE1 3.98Å; I196-Y264 HydrophobicContact CD1-CG 4.48Å; I196-Y264 HydrophobicContact CG1-CD1 4.11Å; I196-Y264 HydrophobicContact CG1-CE1 3.72Å; I196-Y264 PolarHBondContact N-OH 3.33Å
197	F	98.3	Very high	97.4	Very high	1 Å²	1	36.7 Å²	36.7	0%	0.004	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	109.3	-176.3	-83.7	-111.5	0	0	0	109.4	A65 L72 F73 I163 I164 V165 S166 M195 F298 K300	A65-F197 HydrophobicContact CB-CD1 4.18Å; A65-F197 HydrophobicContact CB-CE1 4.22Å; L72-F197 HydrophobicContact CD1-CZ 3.97Å; F73-F197 HydrophobicContact CE2-CD1 4.43Å; F73-F197 AromaticContact CE2-CE1 3.88Å; F73-F197 HydrophobicContact CE2-CE1 3.88Å; F73-F197 HydrophobicContact CE2-CE2 4.35Å; F73-F197 AromaticContact CE2-CZ 3.85Å; F73-F197 HydrophobicContact CE2-CZ 3.85Å; F73-F197 HydrophobicContact CZ-CD1 4.06Å; F73-F197 HydrophobicContact CZ-CD2 4.28Å; F73-F197 AromaticContact CZ-CE1 3.96Å; F73-F197 HydrophobicContact CZ-CE1 3.96Å; F73-F197 HydrophobicContact CZ-CE2 4.16Å; F73-F197 HydrophobicContact CZ-CG 4.25Å; F73-F197 HydrophobicContact CZ-CZ 4.02Å; I163-F197 HydrophobicContact CG2-CD2 3.88Å; I163-F197 HydrophobicContact CG2-CE2 4.33Å; I164-F197 PolarHBondContact O-N 3.41Å; V165-F197 WeakPolarHBondContact CA-O 3.35Å; V165-F197 HydrophobicContact CB-CB 4.44Å; V165-F197 HydrophobicContact CG1-CB 3.95Å; S166-F197 PolarHBondContact N-O 3.46Å; M195-F197 HydrophobicContact CB-CD2 4.25Å; M195-F197 HydrophobicContact CB-CE2 3.81Å; F197-F298 HydrophobicContact CB-CD1 4.07Å; F197-F298 HydrophobicContact CB-CE1 4.1Å; F197-F298 AromaticContact CD1-CD1 3.52Å; F197-F298 HydrophobicContact CD1-CD1 3.52Å; F197-F298 HydrophobicContact CD1-CE1 4.11Å; F197-F298 HydrophobicContact CE1-CD1 4.29Å; F197-F298 HydrophobicContact CG-CD1 4.09Å; F197-K300 HydrophobicContact CE2-CB 4.47Å; F197-K300 HydrophobicContact CZ-CB 4.42Å
198	P	97.6	Very high	97.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.162	C	C	.	.	S	Bend	cis	-71.6	166.1	-8.5	33.9	-38.6	0	0	0	111.7	Y62 S166 M169 I196 V296 D297 F298	Y62-P198 WeakPolarHBondContact OH-CD 3.5Å; S166-P198 VanDerWaalsContact O-CD 3.31Å; S166-P198 WeakPolarHBondContact O-CD 3.38Å; M169-P198 HydrophobicContact SD-CG 4.06Å; I196-P198 CarbonylContact C-O 3.51Å; I196-P198 WeakPolarHBondContact CG2-O 3.34Å; I196-P198 CarbonylContact O-C 3.55Å; P198-V296 HydrophobicContact CB-CG1 3.21Å; P198-V296 HydrophobicContact CG-CG1 3.43Å; P198-V296 VanDerWaalsContact CG-CG1 3.43Å; P198-D297 WeakPolarHBondContact CB-O 3.46Å; P198-F298 HydrophobicContact CB-CD1 4.04Å; P198-F298 HydrophobicContact CB-CD2 4.48Å; P198-F298 HydrophobicContact CB-CE1 3.82Å; P198-F298 HydrophobicContact CB-CE2 4.24Å; P198-F298 HydrophobicContact CB-CG 4.38Å; P198-F298 HydrophobicContact CB-CZ 3.93Å
199	D	96.7	Very high	97.5	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.011	16%	0.158	C	C	.	.			trans	-115.6	-9.9	179.2	52.8	-6.4	0	0	0	114.7	I196 L263 Y264 D297 F298 T299	I196-D199 HydrophobicContact CB-CB 4.34Å; I196-D199 WeakPolarHBondContact O-CB 3.22Å; D199-L263 PolarHBondContact O-N 3Å; D199-Y264 HydrophobicContact CB-CD2 4.26Å; D199-Y264 HydrophobicContact CB-CE2 3.39Å; D199-Y264 WeakPolarHBondContact OD2-CE2 3.19Å; D199-Y264 PolarHBondContact OD2-OH 3.04Å; D199-D297 PolarHBondContact N-O 3.06Å; D199-D297 VanDerWaalsContact OD1-O 3.11Å; D199-F298 WeakPolarHBondContact OD1-CA 3.36Å; D199-T299 VanDerWaalsContact CG-OG1 3.3Å; D199-T299 WeakPolarHBondContact OD1-CG2 3.2Å; D199-T299 PolarHBondContact OD1-N 2.84Å; D199-T299 PolarHBondContact OD1-OG1 3Å; D199-T299 PolarHBondContact OD2-OG1 2.87Å
200	R	96.1	Very high	97.4	Very high	112 Å²	112	31 Å²	31	42%	0.423	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	138.6	174.9	-167.9	176.1	75.3	174	6.7	111.9	V261 V296 D297 T299	R200-V261 WeakPolarHBondContact CA-O 3.35Å; R200-V296 WeakPolarHBondContact O-CA 3.45Å; R200-D297 HydrophobicContact CB-CB 4.26Å; R200-D297 IonicContact CZ-OD2 2.91Å; R200-D297 VanDerWaalsContact CZ-OD2 3.27Å; R200-D297 PolarHBondContact N-O 2.98Å; R200-D297 IonicContact NE-OD2 2.81Å; R200-D297 PolarHBondContact NE-OD2 3.36Å; R200-D297 IonicContact NH2-OD2 3.82Å; R200-D297 PolarHBondContact NH2-OD2 2.89Å; R200-D297 PolarHBondContact O-N 2.67Å; R200-T299 HydrophobicContact CB-CG2 4.17Å
201	A	96.4	Very high	97.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	150.6	167.9	0	0	0	0	0	111.4	W168 L173 V261 T295	W168-A201 HydrophobicContact CH2-CB 3.82Å; W168-A201 HydrophobicContact CZ2-CB 4.07Å; L173-A201 HydrophobicContact CD1-CB 3.9Å; L173-A201 HydrophobicContact CD2-CB 3.92Å; A201-V261 HydrophobicContact CB-CB 4.29Å; A201-V261 PolarHBondContact N-O 3.32Å; A201-V261 VanDerWaalsContact N-O 3.11Å; A201-V261 PolarHBondContact O-N 3.15Å; A201-T295 VanDerWaalsContact CA-O 3.26Å; A201-T295 WeakPolarHBondContact CA-O 3.44Å
202	S	95.8	Very high	97	Very high	9 Å²	9	40.9 Å²	40.9	6%	0.063	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	137.1	177.5	-59.7	0	0	0	0	110.8	K258 V259 F294 T295	S202-K258 VanDerWaalsContact CA-O 3.31Å; S202-K258 WeakPolarHBondContact CA-O 3.28Å; S202-V259 PolarHBondContact OG-O 3.39Å; S202-F294 CarbonylContact O-C 3.51Å; S202-F294 WeakPolarHBondContact O-CA 3.29Å; S202-F294 VanDerWaalsContact O-CB 3.27Å; S202-F294 WeakPolarHBondContact O-CB 3.38Å; S202-T295 PolarHBondContact N-O 2.86Å; S202-T295 PolarHBondContact O-N 2.94Å
203	L	96.8	Very high	96.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	133	178.5	-171.9	72.6	0	0	0	110.2	L173 F174 L256 L257 K258 W273 F294	L173-L203 HydrophobicContact CB-CD1 4.09Å; L173-L203 HydrophobicContact CD2-CB 4.34Å; F174-L203 HydrophobicContact CE2-CD2 4.2Å; L203-L256 WeakPolarHBondContact O-CD1 3.48Å; L203-L257 HydrophobicContact CD2-CD1 4.05Å; L203-L257 HydrophobicContact CG-CD1 4.3Å; L203-L257 WeakPolarHBondContact O-CB 3.34Å; L203-L257 PolarHBondContact O-N 2.89Å; L203-K258 HydrophobicContact CB-CB 4.26Å; L203-K258 PolarHBondContact N-O 2.84Å; L203-K258 VanDerWaalsContact N-O 3.1Å; L203-K258 PolarHBondContact O-N 3.48Å; L203-K258 VanDerWaalsContact O-N 3.16Å; L203-W273 HydrophobicContact CD2-CH2 3.98Å; L203-W273 HydrophobicContact CD2-CZ2 3.9Å; L203-F294 HydrophobicContact CD1-CB 4.15Å
204	F	97.4	Very high	96.9	Very high	47 Å²	47	30.1 Å²	30.1	21%	0.206	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	161.2	-179.6	-65.5	-97.3	0	0	0	110.9	A255 L256 T292 F293 T295	F204-A255 CarbonylContact C-O 3.53Å; F204-A255 VanDerWaalsContact CA-O 3.26Å; F204-A255 WeakPolarHBondContact CA-O 3.42Å; F204-L256 HydrophobicContact CD1-CB 4.12Å; F204-L256 HydrophobicContact CD1-CD1 3.99Å; F204-L256 HydrophobicContact CD2-CD1 4.29Å; F204-L256 HydrophobicContact CE1-CB 3.97Å; F204-L256 HydrophobicContact CE1-CD1 3.63Å; F204-L256 HydrophobicContact CE1-CG 4.3Å; F204-L256 HydrophobicContact CE2-CD1 3.95Å; F204-L256 HydrophobicContact CG-CD1 4.31Å; F204-L256 HydrophobicContact CZ-CD1 3.62Å; F204-T292 WeakPolarHBondContact O-CA 3.29Å; F204-T292 WeakPolarHBondContact O-CB 3.43Å; F204-F293 HydrophobicContact CB-CD1 4.36Å; F204-F293 HydrophobicContact CB-CD2 3.97Å; F204-F293 HydrophobicContact CB-CE1 3.9Å; F204-F293 HydrophobicContact CB-CE2 3.46Å; F204-F293 VanDerWaalsContact CB-CE2 3.46Å; F204-F293 HydrophobicContact CB-CG 4.4Å; F204-F293 HydrophobicContact CB-CZ 3.42Å; F204-F293 VanDerWaalsContact CB-CZ 3.42Å; F204-F293 HydrophobicContact CD2-CD2 4.39Å; F204-F293 AromaticContact CD2-CE2 3.96Å; F204-F293 HydrophobicContact CD2-CE2 3.96Å; F204-F293 HydrophobicContact CG-CD2 4.47Å; F204-F293 AromaticContact CG-CE2 3.78Å; F204-F293 HydrophobicContact CG-CE2 3.78Å; F204-F293 HydrophobicContact CG-CZ 4.05Å; F204-F293 PolarHBondContact N-O 2.86Å; F204-F293 PolarHBondContact O-N 2.99Å; F204-T295 HydrophobicContact CD2-CG2 4.16Å; F204-T295 HydrophobicContact CE2-CG2 3.65Å; F204-T295 HydrophobicContact CZ-CG2 4.49Å
205	I	97.9	Very high	96.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	143.2	174.3	-166.9	171.6	0	0	0	110.6	C254 A255 L257 F277 L279 M290 V291 T292 M341 M357	I205-C254 CarbonylContact O-C 3.48Å; I205-C254 WeakPolarHBondContact O-CA 3.3Å; I205-A255 HydrophobicContact CG2-CB 3.91Å; I205-A255 PolarHBondContact N-O 2.81Å; I205-A255 PolarHBondContact O-N 2.84Å; I205-L257 HydrophobicContact CB-CD1 3.66Å; I205-L257 HydrophobicContact CB-CD2 4.33Å; I205-L257 HydrophobicContact CB-CG 3.8Å; I205-L257 HydrophobicContact CD1-CD1 4.26Å; I205-L257 HydrophobicContact CG1-CD1 4.44Å; I205-L257 HydrophobicContact CG2-CD1 4.06Å; I205-L257 HydrophobicContact CG2-CD2 3.8Å; I205-L257 HydrophobicContact CG2-CG 3.62Å; I205-F277 HydrophobicContact CD1-CD1 4.24Å; I205-F277 HydrophobicContact CD1-CE1 4.13Å; I205-F277 HydrophobicContact CD1-CG 4.49Å; I205-F277 HydrophobicContact CD1-CZ 4.29Å; I205-F277 HydrophobicContact CG2-CB 3.96Å; I205-F277 HydrophobicContact CG2-CG 4.14Å; I205-L279 HydrophobicContact CG2-CD2 4.29Å; I205-L279 WeakPolarHBondContact O-CD2 3.42Å; I205-M290 HydrophobicContact CD1-CB 3.96Å; I205-M290 HydrophobicContact CD1-CG 4.3Å; I205-M290 HydrophobicContact CG1-CB 4.17Å; I205-V291 CarbonylContact C-O 3.56Å; I205-V291 VanDerWaalsContact CA-O 3.24Å; I205-V291 WeakPolarHBondContact CA-O 3.36Å; I205-T292 HydrophobicContact CB-CG2 4.38Å; I205-T292 HydrophobicContact CG1-CG2 4.22Å; I205-M341 HydrophobicContact CD1-SD 4.42Å; I205-M357 HydrophobicContact CD1-CE 4.15Å
206	C	98.2	Very high	96.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	173	165.4	62.7	0	0	0	0	109.9	V250 M290 V291	C206-V250 HydrophobicContact CB-CG1 4.03Å; C206-M290 CarbonylContact O-C 3.54Å; C206-M290 WeakPolarHBondContact O-CA 3.44Å; C206-V291 PolarHBondContact N-O 2.71Å; C206-V291 PolarHBondContact O-N 2.94Å
207	A	98.5	Very high	96.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	146.2	175.5	0	0	0	0	0	111.1	V251 T252 L279 I287 A289 M290	A207-V251 PolarHBondContact O-N 2.94Å; A207-T252 HydrophobicContact CB-CG2 3.71Å; A207-T252 PolarHBondContact N-OG1 2.79Å; A207-L279 HydrophobicContact CB-CD1 4.02Å; A207-I287 HydrophobicContact CB-CB 4.43Å; A207-I287 HydrophobicContact CB-CD1 3.79Å; A207-I287 HydrophobicContact CB-CG1 3.88Å; A207-I287 HydrophobicContact CB-CG2 3.74Å; A207-A289 WeakPolarHBondContact CA-O 3.26Å; A207-M290 HydrophobicContact CB-SD 3.72Å
208	I	98.4	Very high	95.8	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	153.4	-176.7	67.5	167.9	0	0	0	112.9	D210 V245 Q249 V250 I287 Q288 A289 V291 V322	I208-D210 HydrophobicContact CD1-CB 3.71Å; I208-D210 HydrophobicContact CG1-CB 4.15Å; I208-V245 HydrophobicContact CD1-CG1 4.22Å; I208-V245 HydrophobicContact CD1-CG2 4.36Å; I208-V245 HydrophobicContact CG2-CG1 3.88Å; I208-Q249 VanDerWaalsContact CA-O 3.26Å; I208-Q249 WeakPolarHBondContact CA-O 3.45Å; I208-Q249 HydrophobicContact CB-CB 4.26Å; I208-V250 HydrophobicContact CG2-CG2 4.2Å; I208-I287 WeakPolarHBondContact O-CA 3.42Å; I208-Q288 PolarHBondContact O-N 2.76Å; I208-A289 HydrophobicContact CD1-CB 4.25Å; I208-A289 HydrophobicContact CG1-CB 3.89Å; I208-A289 PolarHBondContact N-O 3.34Å; I208-A289 PolarHBondContact O-N 2.93Å; I208-V291 HydrophobicContact CB-CG2 4.24Å; I208-V291 HydrophobicContact CD1-CG2 3.55Å; I208-V291 HydrophobicContact CG1-CG2 3.74Å; I208-V291 HydrophobicContact CG2-CB 4.29Å; I208-V291 HydrophobicContact CG2-CG2 3.49Å; I208-V291 VanDerWaalsContact CG2-CG2 3.49Å; I208-V322 HydrophobicContact CD1-CG1 4.18Å
209	E	98.2	Very high	95.5	Very high	49 Å²	49	42.3 Å²	42.3	23%	0.229	19%	0.186	C	C	.	.			trans	-86.8	127.1	158.8	-165.3	-69.5	123.7	0	0	107.8	R211 Q249 V251 D285 F286	E209-R211 WeakPolarHBondContact OE1-CB 3.04Å; E209-R211 PolarHBondContact OE1-N 3.47Å; E209-Q249 PolarHBondContact N-O 3.1Å; E209-Q249 VanDerWaalsContact O-CB 3.3Å; E209-Q249 WeakPolarHBondContact O-CB 3.25Å; E209-Q249 WeakPolarHBondContact O-CG 3.28Å; E209-Q249 PolarHBondContact O-NE2 2.87Å; E209-V251 HydrophobicContact CB-CG2 3.96Å; E209-D285 WeakPolarHBondContact CG-OD1 3.33Å; E209-F286 WeakPolarHBondContact CA-O 3.37Å; E209-F286 WeakPolarHBondContact CB-O 3.35Å; E209-F286 HydrophobicContact CG-CB 4.43Å
210	D	97.2	Very high	95.4	Very high	13 Å²	13	47.5 Å²	47.5	7%	0.07	21%	0.206	C	C	.	.			trans	-155.1	37.8	-179.3	-155.6	14.5	0	0	0	112.7	I208 Q212 Y213 K214 Q249 Q288 Y324	I208-D210 HydrophobicContact CD1-CB 3.71Å; I208-D210 HydrophobicContact CG1-CB 4.15Å; D210-Q212 VanDerWaalsContact C-N 3.32Å; D210-Q212 PolarHBondContact O-N 2.94Å; D210-Y213 PolarHBondContact O-N 3.32Å; D210-Y213 WeakPolarHBondContact OD1-CB 3.38Å; D210-K214 WeakPolarHBondContact O-CB 3.19Å; D210-K214 PolarHBondContact O-N 3.41Å; D210-Q249 PolarHBondContact OD1-NE2 2.95Å; D210-Q288 HydrophobicContact CB-CB 4.47Å; D210-Y324 HydrophobicContact CB-CE1 4.31Å; D210-Y324 PolarHBondContact OD2-OH 3.26Å
211	R	95.5	Very high	95.4	Very high	150 Å²	150	45.4 Å²	45.4	57%	0.566	20%	0.198	S	C	*	.	H	α-helix	trans	-59.8	-44.4	-171	177.6	-177.9	171.2	175.4	2.3	111.7	E209 Y213 K214 D215 Q288	E209-R211 WeakPolarHBondContact OE1-CB 3.04Å; E209-R211 PolarHBondContact OE1-N 3.47Å; R211-Y213 VanDerWaalsContact C-N 3.34Å; R211-Y213 PolarHBondContact O-N 2.93Å; R211-K214 PolarHBondContact O-N 2.77Å; R211-D215 IonicContact NE-OD2 2.93Å; R211-D215 WeakPolarHBondContact O-CB 3.34Å; R211-D215 PolarHBondContact O-N 3.35Å; R211-Q288 HydrophobicContact CB-CG 4.22Å
212	Q	93.8	Very high	95.3	Very high	143 Å²	143	49.8 Å²	49.8	67%	0.668	22%	0.218	S	C	*	.	H	α-helix	trans	-60.2	-46.3	-177.2	-176.5	-179.7	-9	0	0	110.9	D210 D215 E216	D210-Q212 VanDerWaalsContact C-N 3.32Å; D210-Q212 PolarHBondContact O-N 2.94Å; Q212-D215 PolarHBondContact O-N 3.39Å; Q212-E216 PolarHBondContact NE2-OE1 3.05Å; Q212-E216 VanDerWaalsContact NE2-OE1 3.15Å; Q212-E216 WeakPolarHBondContact O-CG 3.43Å; Q212-E216 PolarHBondContact O-N 2.96Å
213	Y	93.4	Very high	95.2	Very high	62 Å²	62	54.3 Å²	54.3	24%	0.243	24%	0.242	C	C	.	.	H	α-helix	trans	-72.9	-35.7	-178.8	-155.7	-126.9	0	0	0	111.8	D210 R211 D215 E216 K217 D243 Y324	D210-Y213 PolarHBondContact O-N 3.32Å; D210-Y213 WeakPolarHBondContact OD1-CB 3.38Å; R211-Y213 VanDerWaalsContact C-N 3.34Å; R211-Y213 PolarHBondContact O-N 2.93Å; Y213-D215 VanDerWaalsContact C-N 3.34Å; Y213-D215 PolarHBondContact O-N 2.87Å; Y213-E216 PolarHBondContact O-N 3.48Å; Y213-K217 HydrophobicContact CD1-CG 4.37Å; Y213-K217 HydrophobicContact CD2-CG 4.29Å; Y213-K217 HydrophobicContact CE1-CG 4.21Å; Y213-K217 HydrophobicContact CE2-CG 4.12Å; Y213-K217 HydrophobicContact CG-CG 4.4Å; Y213-K217 WeakPolarHBondContact O-CB 3.29Å; Y213-K217 WeakPolarHBondContact O-CG 3.35Å; Y213-K217 PolarHBondContact O-N 3.04Å; Y213-K217 WeakPolarHBondContact OH-CE 3.44Å; Y213-D243 PolarHBondContact OH-OD2 3.04Å; Y213-Y324 WeakPolarHBondContact CD1-OH 3.27Å
214	K	94.4	Very high	95.2	Very high	7 Å²	7	54.7 Å²	54.7	3%	0.03	25%	0.245	C	C	.	.	H	α-helix	trans	-56.9	-46.9	169.2	-169.8	177.5	173.9	177.7	0	111.5	D210 R211 E216 K217 I218 N219 Y324 L325 E326	D210-K214 WeakPolarHBondContact O-CB 3.19Å; D210-K214 PolarHBondContact O-N 3.41Å; R211-K214 PolarHBondContact O-N 2.77Å; K214-E216 VanDerWaalsContact C-N 3.35Å; K214-E216 PolarHBondContact O-N 3.27Å; K214-K217 PolarHBondContact O-N 2.96Å; K214-I218 HydrophobicContact CG-CB 4.38Å; K214-I218 HydrophobicContact CG-CD1 4.26Å; K214-I218 WeakPolarHBondContact O-CA 3.23Å; K214-I218 WeakPolarHBondContact O-CB 3.24Å; K214-I218 PolarHBondContact O-N 3.17Å; K214-N219 PolarHBondContact O-N 2.95Å; K214-N219 VanDerWaalsContact O-N 3.09Å; K214-Y324 HydrophobicContact CB-CD1 3.98Å; K214-Y324 HydrophobicContact CB-CE1 3.55Å; K214-Y324 HydrophobicContact CD-CD1 3.86Å; K214-Y324 HydrophobicContact CD-CE1 4.29Å; K214-Y324 HydrophobicContact CG-CD1 3.76Å; K214-Y324 HydrophobicContact CG-CE1 3.88Å; K214-L325 WeakPolarHBondContact CE-O 3.38Å; K214-L325 PolarHBondContact NZ-O 2.66Å; K214-E326 PolarHBondContact NZ-O 3.4Å
215	D	93.7	Very high	95.1	Very high	62 Å²	62	62.1 Å²	62.1	33%	0.332	27%	0.273	S	S	.	.	H	α-helix	trans	-64.1	-41	-179.9	-75.6	-19.5	0	0	0	111.2	R211 Q212 Y213 N219 W220	R211-D215 IonicContact NE-OD2 2.93Å; R211-D215 WeakPolarHBondContact O-CB 3.34Å; R211-D215 PolarHBondContact O-N 3.35Å; Q212-D215 PolarHBondContact O-N 3.39Å; Y213-D215 VanDerWaalsContact C-N 3.34Å; Y213-D215 PolarHBondContact O-N 2.87Å; D215-N219 CarbonylContact O-C 3.57Å; D215-N219 PolarHBondContact OD1-ND2 3.41Å; D215-W220 PolarHBondContact O-N 3.17Å
216	E	93	Very high	95	Very high	104 Å²	104	65 Å²	65	49%	0.486	30%	0.303	S	S	.	.	H	α-helix	trans	-71.8	-34.6	179.5	-72.9	175.8	-165.9	0	0	113.9	Q212 Y213 K214 W220	Q212-E216 PolarHBondContact NE2-OE1 3.05Å; Q212-E216 VanDerWaalsContact NE2-OE1 3.15Å; Q212-E216 WeakPolarHBondContact O-CG 3.43Å; Q212-E216 PolarHBondContact O-N 2.96Å; Y213-E216 PolarHBondContact O-N 3.48Å; K214-E216 VanDerWaalsContact C-N 3.35Å; K214-E216 PolarHBondContact O-N 3.27Å; E216-W220 WeakPolarHBondContact O-CB 3.07Å
217	K	90.6	Very high	94.9	Very high	96 Å²	96	71.9 Å²	71.9	42%	0.417	33%	0.333	S	S	.	.	H	α-helix	trans	-99.5	-34.8	-173.2	-67.1	-68.2	-176.1	173.9	0	114.5	Y213 K214 W221	Y213-K217 HydrophobicContact CD1-CG 4.37Å; Y213-K217 HydrophobicContact CD2-CG 4.29Å; Y213-K217 HydrophobicContact CE1-CG 4.21Å; Y213-K217 HydrophobicContact CE2-CG 4.12Å; Y213-K217 HydrophobicContact CG-CG 4.4Å; Y213-K217 WeakPolarHBondContact O-CB 3.29Å; Y213-K217 WeakPolarHBondContact O-CG 3.35Å; Y213-K217 PolarHBondContact O-N 3.04Å; Y213-K217 WeakPolarHBondContact OH-CE 3.44Å; K214-K217 PolarHBondContact O-N 2.96Å; K217-W221 PolarHBondContact O-NE1 3Å
218	I	92.3	Very high	94.9	Very high	1 Å²	1	77.8 Å²	77.8	1%	0.005	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-61.4	-172.8	-62.6	171.8	0	0	0	109.6	K214 W220 W221 R233 I237 Y324	K214-I218 HydrophobicContact CG-CB 4.38Å; K214-I218 HydrophobicContact CG-CD1 4.26Å; K214-I218 WeakPolarHBondContact O-CA 3.23Å; K214-I218 WeakPolarHBondContact O-CB 3.24Å; K214-I218 PolarHBondContact O-N 3.17Å; I218-W220 PolarHBondContact O-N 2.86Å; I218-W221 VanDerWaalsContact O-CD1 3.31Å; I218-W221 PolarHBondContact O-N 2.85Å; I218-R233 HydrophobicContact CG2-CG 3.69Å; I218-I237 HydrophobicContact CD1-CB 4.42Å; I218-I237 HydrophobicContact CD1-CG1 4.22Å; I218-I237 HydrophobicContact CG2-CB 4.09Å; I218-I237 HydrophobicContact CG2-CD1 4.33Å; I218-I237 HydrophobicContact CG2-CG1 4.42Å; I218-Y324 HydrophobicContact CD1-CD1 4.08Å; I218-Y324 HydrophobicContact CD1-CD2 3.39Å; I218-Y324 HydrophobicContact CD1-CE2 3.99Å; I218-Y324 HydrophobicContact CD1-CG 3.41Å; I218-Y324 VanDerWaalsContact CD1-CG 3.41Å
219	N	92.3	Very high	94.8	Very high	31 Å²	31	80.7 Å²	80.7	17%	0.166	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-73.3	-15.7	-172.7	-55.1	-30.1	0	0	0	113	K214 D215 W221 E222 R233	K214-N219 PolarHBondContact O-N 2.95Å; K214-N219 VanDerWaalsContact O-N 3.09Å; D215-N219 CarbonylContact O-C 3.57Å; D215-N219 PolarHBondContact OD1-ND2 3.41Å; N219-W221 PolarHBondContact O-N 3.3Å; N219-W221 VanDerWaalsContact O-N 3.15Å; N219-E222 VanDerWaalsContact O-CB 3.29Å; N219-E222 WeakPolarHBondContact O-CB 3.45Å; N219-E222 WeakPolarHBondContact O-CG 3.29Å; N219-E222 PolarHBondContact O-N 2.82Å; N219-R233 PolarHBondContact OD1-NE 3.17Å
220	W	94.1	Very high	94.6	Very high	112 Å²	112	79.9 Å²	79.9	42%	0.424	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-54	-33.2	172.9	180	79.6	0	0	0	112.9	D215 E216 I218 E222 N223 V224 Y225	D215-W220 PolarHBondContact O-N 3.17Å; E216-W220 WeakPolarHBondContact O-CB 3.07Å; I218-W220 PolarHBondContact O-N 2.86Å; W220-E222 PolarHBondContact O-N 3.19Å; W220-N223 CarbonylContact O-C 3.5Å; W220-N223 PolarHBondContact O-N 3.07Å; W220-V224 HydrophobicContact CD2-CG2 4.22Å; W220-V224 HydrophobicContact CE3-CG2 3.86Å; W220-V224 HydrophobicContact CH2-CB 4.3Å; W220-V224 HydrophobicContact CH2-CG1 3.54Å; W220-V224 HydrophobicContact CH2-CG2 3.81Å; W220-V224 HydrophobicContact CZ2-CB 4.47Å; W220-V224 HydrophobicContact CZ2-CG1 3.82Å; W220-V224 HydrophobicContact CZ2-CG2 4.16Å; W220-V224 HydrophobicContact CZ3-CG1 4.21Å; W220-V224 HydrophobicContact CZ3-CG2 3.66Å; W220-Y225 HydrophobicContact CZ2-CE2 4.4Å
221	W	95	Very high	94.5	Very high	68 Å²	68	83.7 Å²	83.7	26%	0.258	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-67.4	-16.4	178.6	-65.8	106.9	0	0	0	113.9	K217 I218 N219 N223 V224 M229 S230 I232 R233	K217-W221 PolarHBondContact O-NE1 3Å; I218-W221 VanDerWaalsContact O-CD1 3.31Å; I218-W221 PolarHBondContact O-N 2.85Å; N219-W221 PolarHBondContact O-N 3.3Å; N219-W221 VanDerWaalsContact O-N 3.15Å; W221-N223 PolarHBondContact O-N 3.41Å; W221-V224 HydrophobicContact CE3-CG2 3.97Å; W221-M229 HydrophobicContact CE3-CB 4Å; W221-M229 HydrophobicContact CE3-SD 4.1Å; W221-M229 HydrophobicContact CZ3-SD 4.05Å; W221-M229 CarbonylContact O-C 3.57Å; W221-M229 WeakPolarHBondContact O-CA 3.15Å; W221-M229 VanDerWaalsContact O-CB 3.27Å; W221-M229 WeakPolarHBondContact O-CB 3.35Å; W221-M229 PolarHBondContact O-N 3.07Å; W221-S230 PolarHBondContact O-N 2.79Å; W221-I232 HydrophobicContact CD2-CB 3.95Å; W221-I232 HydrophobicContact CD2-CG2 3.59Å; W221-I232 HydrophobicContact CE3-CB 3.92Å; W221-I232 HydrophobicContact CE3-CD1 3.81Å; W221-I232 HydrophobicContact CE3-CG1 4.44Å; W221-I232 HydrophobicContact CE3-CG2 3.82Å; W221-I232 HydrophobicContact CG-CB 4.28Å; W221-I232 HydrophobicContact CG-CG2 4.1Å; W221-I232 HydrophobicContact CH2-CD1 4.22Å; W221-I232 HydrophobicContact CH2-CG2 4.07Å; W221-I232 HydrophobicContact CZ2-CG2 3.86Å; W221-I232 HydrophobicContact CZ3-CB 4.39Å; W221-I232 HydrophobicContact CZ3-CD1 3.57Å; W221-I232 HydrophobicContact CZ3-CG2 4.06Å; W221-R233 HydrophobicContact CB-CB 3.92Å
222	E	94.4	Very high	94.5	Very high	91 Å²	91	80 Å²	80	43%	0.425	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-67	-26.8	177.4	-63.3	175.7	-179.9	0	0	112.1	N219 W220 R233	N219-E222 VanDerWaalsContact O-CB 3.29Å; N219-E222 WeakPolarHBondContact O-CB 3.45Å; N219-E222 WeakPolarHBondContact O-CG 3.29Å; N219-E222 PolarHBondContact O-N 2.82Å; W220-E222 PolarHBondContact O-N 3.19Å; E222-R233 WeakPolarHBondContact OE1-CD 3.31Å; E222-R233 IonicContact OE1-CZ 3.27Å; E222-R233 IonicContact OE1-NE 2.87Å; E222-R233 PolarHBondContact OE1-NE 3.15Å; E222-R233 IonicContact OE1-NH2 3.23Å
223	N	94.5	Very high	94.5	Very high	104 Å²	104	74 Å²	74	56%	0.556	37%	0.368	S	S	*	.			trans	-150.4	86.2	179.1	-172.8	-14	0	0	0	111.5	W220 W221 Y225 G226	W220-N223 CarbonylContact O-C 3.5Å; W220-N223 PolarHBondContact O-N 3.07Å; W221-N223 PolarHBondContact O-N 3.41Å; N223-Y225 PolarHBondContact O-N 3.07Å; N223-G226 WeakPolarHBondContact OD1-CA 3.3Å; N223-G226 PolarHBondContact OD1-N 2.86Å
224	V	96	Very high	94.4	Very high	9 Å²	9	75.6 Å²	75.6	6%	0.055	38%	0.38	C	S	.	.	B	Isolated β-bridge	trans	-92.6	95.8	176.8	-179.1	0	0	0	0	108.4	W220 W221 G226 F227 M229	W220-V224 HydrophobicContact CD2-CG2 4.22Å; W220-V224 HydrophobicContact CE3-CG2 3.86Å; W220-V224 HydrophobicContact CH2-CB 4.3Å; W220-V224 HydrophobicContact CH2-CG1 3.54Å; W220-V224 HydrophobicContact CH2-CG2 3.81Å; W220-V224 HydrophobicContact CZ2-CB 4.47Å; W220-V224 HydrophobicContact CZ2-CG1 3.82Å; W220-V224 HydrophobicContact CZ2-CG2 4.16Å; W220-V224 HydrophobicContact CZ3-CG1 4.21Å; W220-V224 HydrophobicContact CZ3-CG2 3.66Å; W221-V224 HydrophobicContact CE3-CG2 3.97Å; V224-G226 VanDerWaalsContact C-N 3.29Å; V224-G226 PolarHBondContact O-N 3.05Å; V224-F227 PolarHBondContact N-O 3.38Å; V224-F227 WeakPolarHBondContact O-CB 3.3Å; V224-F227 WeakPolarHBondContact O-CD2 3.27Å; V224-F227 PolarHBondContact O-N 2.78Å; V224-F227 VanDerWaalsContact O-N 3.07Å; V224-M229 HydrophobicContact CB-CE 3.82Å; V224-M229 HydrophobicContact CB-CG 4.05Å; V224-M229 HydrophobicContact CB-SD 3.71Å; V224-M229 HydrophobicContact CG1-CE 3.74Å; V224-M229 HydrophobicContact CG1-SD 3.89Å; V224-M229 HydrophobicContact CG2-CB 4.13Å; V224-M229 HydrophobicContact CG2-CG 4Å; V224-M229 HydrophobicContact CG2-SD 3.74Å
225	Y	95.3	Very high	94.4	Very high	203 Å²	203	79.4 Å²	79.4	80%	0.796	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	37.2	-179.2	-55.1	-79	0	0	0	114.4	W220 N223	W220-Y225 HydrophobicContact CZ2-CE2 4.4Å; N223-Y225 PolarHBondContact O-N 3.07Å
226	G	96.1	Very high	94.3	Very high	61 Å²	61	77.6 Å²	77.6	63%	0.629	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.7	-3.3	-178.1	0	0	0	0	0	114.5	N223 V224	N223-G226 WeakPolarHBondContact OD1-CA 3.3Å; N223-G226 PolarHBondContact OD1-N 2.86Å; V224-G226 VanDerWaalsContact C-N 3.29Å; V224-G226 PolarHBondContact O-N 3.05Å
227	F	96.8	Very high	94.3	Very high	144 Å²	144	73.4 Å²	73.4	63%	0.632	38%	0.378	S	S	*	.	B	Isolated β-bridge	trans	-104.7	131.3	178.9	-56.8	-78.4	0	0	0	111	V224 M229	V224-F227 PolarHBondContact N-O 3.38Å; V224-F227 WeakPolarHBondContact O-CB 3.3Å; V224-F227 WeakPolarHBondContact O-CD2 3.27Å; V224-F227 PolarHBondContact O-N 2.78Å; V224-F227 VanDerWaalsContact O-N 3.07Å; F227-M229 HydrophobicContact CB-CE 4.33Å; F227-M229 PolarHBondContact O-N 2.8Å
228	D	96.8	Very high	94.5	Very high	124 Å²	124	70.7 Å²	70.7	66%	0.663	37%	0.372	S	S	*	.			trans	-74.1	114.8	173.4	178.5	7.5	0	0	0	109.9	S230	D228-S230 WeakPolarHBondContact OD1-CB 3.36Å; D228-S230 PolarHBondContact OD1-N 3.19Å; D228-S230 PolarHBondContact OD1-OG 2.97Å
229	M	97.1	Very high	94.6	Very high	61 Å²	61	74.6 Å²	74.6	30%	0.3	39%	0.39	S	S	.	.			trans	-117.5	29.4	174.6	-57.2	-168.9	-175.8	0	0	111.4	W221 V224 F227 S231 I232	W221-M229 HydrophobicContact CE3-CB 4Å; W221-M229 HydrophobicContact CE3-SD 4.1Å; W221-M229 HydrophobicContact CZ3-SD 4.05Å; W221-M229 CarbonylContact O-C 3.57Å; W221-M229 WeakPolarHBondContact O-CA 3.15Å; W221-M229 VanDerWaalsContact O-CB 3.27Å; W221-M229 WeakPolarHBondContact O-CB 3.35Å; W221-M229 PolarHBondContact O-N 3.07Å; V224-M229 HydrophobicContact CB-CE 3.82Å; V224-M229 HydrophobicContact CB-CG 4.05Å; V224-M229 HydrophobicContact CB-SD 3.71Å; V224-M229 HydrophobicContact CG1-CE 3.74Å; V224-M229 HydrophobicContact CG1-SD 3.89Å; V224-M229 HydrophobicContact CG2-CB 4.13Å; V224-M229 HydrophobicContact CG2-CG 4Å; V224-M229 HydrophobicContact CG2-SD 3.74Å; F227-M229 HydrophobicContact CB-CE 4.33Å; F227-M229 PolarHBondContact O-N 2.8Å; M229-S231 PolarHBondContact O-N 2.91Å; M229-I232 HydrophobicContact CB-CD1 4.48Å; M229-I232 WeakPolarHBondContact O-CB 3.29Å; M229-I232 PolarHBondContact O-N 3.33Å
230	S	94.9	Very high	94.7	Very high	32 Å²	32	73.5 Å²	73.5	22%	0.224	38%	0.384	C	S	.	.	H	α-helix	trans	-58.8	-18.5	-178.9	-58.1	0	0	0	0	114	W221 D228 I232 R233 N234	W221-S230 PolarHBondContact O-N 2.79Å; D228-S230 WeakPolarHBondContact OD1-CB 3.36Å; D228-S230 PolarHBondContact OD1-N 3.19Å; D228-S230 PolarHBondContact OD1-OG 2.97Å; S230-I232 PolarHBondContact O-N 3.08Å; S230-R233 WeakPolarHBondContact O-CB 3.29Å; S230-R233 PolarHBondContact O-N 3.36Å; S230-N234 PolarHBondContact O-N 2.77Å; S230-N234 VanDerWaalsContact O-N 3.11Å
231	S	95.1	Very high	94.8	Very high	92 Å²	92	70.6 Å²	70.6	64%	0.643	38%	0.377	S	S	*	.	H	α-helix	trans	-60	-35	170.1	56.2	0	0	0	0	112.6	M229	M229-S231 PolarHBondContact O-N 2.91Å
232	I	94.5	Very high	94.8	Very high	72 Å²	72	69.2 Å²	69.2	37%	0.369	38%	0.376	S	S	.	.	H	α-helix	trans	-77.1	-38.8	175.4	-60.1	176.4	0	0	0	110.3	W221 M229 S230 N234 V235 A236	W221-I232 HydrophobicContact CD2-CB 3.95Å; W221-I232 HydrophobicContact CD2-CG2 3.59Å; W221-I232 HydrophobicContact CE3-CB 3.92Å; W221-I232 HydrophobicContact CE3-CD1 3.81Å; W221-I232 HydrophobicContact CE3-CG1 4.44Å; W221-I232 HydrophobicContact CE3-CG2 3.82Å; W221-I232 HydrophobicContact CG-CB 4.28Å; W221-I232 HydrophobicContact CG-CG2 4.1Å; W221-I232 HydrophobicContact CH2-CD1 4.22Å; W221-I232 HydrophobicContact CH2-CG2 4.07Å; W221-I232 HydrophobicContact CZ2-CG2 3.86Å; W221-I232 HydrophobicContact CZ3-CB 4.39Å; W221-I232 HydrophobicContact CZ3-CD1 3.57Å; W221-I232 HydrophobicContact CZ3-CG2 4.06Å; M229-I232 HydrophobicContact CB-CD1 4.48Å; M229-I232 WeakPolarHBondContact O-CB 3.29Å; M229-I232 PolarHBondContact O-N 3.33Å; S230-I232 PolarHBondContact O-N 3.08Å; I232-N234 VanDerWaalsContact C-N 3.26Å; I232-N234 PolarHBondContact O-N 3.2Å; I232-V235 PolarHBondContact O-N 3.18Å; I232-A236 PolarHBondContact O-N 2.98Å
233	R	94.7	Very high	94.9	Very high	19 Å²	19	66.9 Å²	66.9	7%	0.072	37%	0.367	C	S	.	.	H	α-helix	trans	-50.3	-48	173.7	-176.6	-163.2	177.6	-80.6	2.3	111.7	I218 N219 W221 E222 S230 V235 A236 I237 E326	I218-R233 HydrophobicContact CG2-CG 3.69Å; N219-R233 PolarHBondContact OD1-NE 3.17Å; W221-R233 HydrophobicContact CB-CB 3.92Å; E222-R233 WeakPolarHBondContact OE1-CD 3.31Å; E222-R233 IonicContact OE1-CZ 3.27Å; E222-R233 IonicContact OE1-NE 2.87Å; E222-R233 PolarHBondContact OE1-NE 3.15Å; E222-R233 IonicContact OE1-NH2 3.23Å; S230-R233 WeakPolarHBondContact O-CB 3.29Å; S230-R233 PolarHBondContact O-N 3.36Å; R233-V235 PolarHBondContact O-N 3Å; R233-A236 PolarHBondContact O-N 2.78Å; R233-A236 VanDerWaalsContact O-N 3.16Å; R233-I237 PolarHBondContact O-N 3.06Å; R233-E326 IonicContact CZ-OE1 2.9Å; R233-E326 IonicContact NH1-OE1 3.92Å; R233-E326 PolarHBondContact NH1-OE1 3.28Å; R233-E326 IonicContact NH1-OE2 2.75Å; R233-E326 PolarHBondContact NH1-OE2 3.09Å; R233-E326 IonicContact NH2-OE1 3.84Å; R233-E326 PolarHBondContact NH2-OE1 2.71Å
234	N	91.9	Very high	95	Very high	95 Å²	95	65.6 Å²	65.6	51%	0.508	36%	0.362	S	S	.	.	H	α-helix	trans	-64.4	-27.3	-177.7	-66.6	-13	0	0	0	112.9	S230 I232	S230-N234 PolarHBondContact O-N 2.77Å; S230-N234 VanDerWaalsContact O-N 3.11Å; I232-N234 VanDerWaalsContact C-N 3.26Å; I232-N234 PolarHBondContact O-N 3.2Å
235	V	92.7	Very high	95	Very high	86 Å²	86	65.4 Å²	65.4	52%	0.521	36%	0.361	S	S	.	.	H	α-helix	trans	-78.4	-48.1	172	-179.9	0	0	0	0	109.7	I232 R233 I237 S238 E239	I232-V235 PolarHBondContact O-N 3.18Å; R233-V235 PolarHBondContact O-N 3Å; V235-I237 VanDerWaalsContact C-N 3.31Å; V235-I237 PolarHBondContact O-N 3.19Å; V235-S238 PolarHBondContact O-N 2.73Å; V235-S238 PolarHBondContact O-OG 3.12Å; V235-E239 PolarHBondContact O-N 2.95Å
236	A	92.2	Very high	95.1	Very high	25 Å²	25	59.4 Å²	59.4	21%	0.207	34%	0.343	C	S	.	.	H	α-helix	trans	-59.3	-38.4	-177.1	0	0	0	0	0	113	I232 R233 S238 E239	I232-A236 PolarHBondContact O-N 2.98Å; R233-A236 PolarHBondContact O-N 2.78Å; R233-A236 VanDerWaalsContact O-N 3.16Å; A236-S238 VanDerWaalsContact C-N 3.28Å; A236-S238 PolarHBondContact O-N 3.22Å; A236-E239 PolarHBondContact O-N 2.67Å
237	I	93.9	Very high	95.1	Very high	15 Å²	15	59.6 Å²	59.6	8%	0.077	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-25.7	178.6	-161.5	164.9	0	0	0	113.1	I218 R233 V235 E239 E326 Y374	I218-I237 HydrophobicContact CD1-CB 4.42Å; I218-I237 HydrophobicContact CD1-CG1 4.22Å; I218-I237 HydrophobicContact CG2-CB 4.09Å; I218-I237 HydrophobicContact CG2-CD1 4.33Å; I218-I237 HydrophobicContact CG2-CG1 4.42Å; R233-I237 PolarHBondContact O-N 3.06Å; V235-I237 VanDerWaalsContact C-N 3.31Å; V235-I237 PolarHBondContact O-N 3.19Å; I237-E239 VanDerWaalsContact C-N 3.3Å; I237-E326 HydrophobicContact CD1-CB 4.48Å; I237-E326 WeakPolarHBondContact CD1-OE2 3.29Å; I237-Y374 WeakPolarHBondContact O-CD1 3.43Å; I237-Y374 VanDerWaalsContact O-CE1 3.3Å; I237-Y374 WeakPolarHBondContact O-CE1 3.49Å
238	S	94	Very high	95.2	Very high	40 Å²	40	58.2 Å²	58.2	28%	0.28	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-5.1	177	72.7	0	0	0	0	113.3	V235 A236 Y374 H375	V235-S238 PolarHBondContact O-N 2.73Å; V235-S238 PolarHBondContact O-OG 3.12Å; A236-S238 VanDerWaalsContact C-N 3.28Å; A236-S238 PolarHBondContact O-N 3.22Å; S238-Y374 CarbonylContact O-C 3.47Å; S238-Y374 WeakPolarHBondContact O-CA 3.49Å; S238-Y374 VanDerWaalsContact O-CB 3.29Å; S238-Y374 WeakPolarHBondContact O-CB 3.46Å; S238-H375 PolarHBondContact O-N 2.99Å
239	E	94.3	Very high	95.2	Very high	82 Å²	82	54.3 Å²	54.3	38%	0.383	31%	0.31	S	S	.	.	S	Bend	trans	-102.8	117.7	178	-166.9	177.3	148	0	0	109.8	V235 A236 I237 L241 H377	V235-E239 PolarHBondContact O-N 2.95Å; A236-E239 PolarHBondContact O-N 2.67Å; I237-E239 VanDerWaalsContact C-N 3.3Å; E239-L241 PolarHBondContact O-N 2.97Å; E239-H377 IonicContact OE1-CE1 3.87Å; E239-H377 IonicContact OE2-CE1 2.76Å
240	P	95.7	Very high	95.3	Very high	8 Å²	8	52.8 Å²	52.8	5%	0.052	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-65.2	134.1	177.5	-20.4	33.1	0	0	0	111.8	T321 V322 F323 F355 Y374 H375 M376	P240-T321 HydrophobicContact CB-CG2 3.61Å; P240-V322 CarbonylContact C-O 3.48Å; P240-V322 WeakPolarHBondContact CA-O 3.08Å; P240-F323 HydrophobicContact CB-CD1 4.05Å; P240-F323 HydrophobicContact CB-CE1 3.79Å; P240-F323 HydrophobicContact CB-CZ 4.11Å; P240-F323 HydrophobicContact CG-CD1 3.85Å; P240-F323 HydrophobicContact CG-CE1 3.47Å; P240-F323 VanDerWaalsContact CG-CE1 3.47Å; P240-F323 HydrophobicContact CG-CZ 4.18Å; P240-F355 HydrophobicContact CG-CD2 4.46Å; P240-Y374 HydrophobicContact CG-CG 4.49Å; P240-H375 WeakPolarHBondContact CD-O 3.19Å; P240-M376 HydrophobicContact CG-CB 4.4Å
241	L	94.9	Very high	95.4	Very high	51 Å²	51	51.3 Å²	51.3	27%	0.267	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	132.2	-179.9	-80.1	144.5	0	0	0	111.2	E239 T321 V322 Y324	E239-L241 PolarHBondContact O-N 2.97Å; L241-T321 CarbonylContact O-C 3.54Å; L241-T321 WeakPolarHBondContact O-CA 3.38Å; L241-V322 HydrophobicContact CB-CB 4.31Å; L241-V322 PolarHBondContact N-O 3.29Å; L241-V322 PolarHBondContact O-N 2.84Å; L241-Y324 HydrophobicContact CD1-CD2 3.78Å; L241-Y324 HydrophobicContact CD1-CE2 3.38Å
242	V	95.4	Very high	95.6	Very high	40 Å²	40	47 Å²	47	24%	0.242	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	99	173.6	-179.1	0	0	0	0	109.9	Y171 K319 Q320 M376	Y171-V242 HydrophobicContact CD1-CB 4.46Å; Y171-V242 HydrophobicContact CD1-CG1 3.47Å; Y171-V242 VanDerWaalsContact CD1-CG1 3.47Å; Y171-V242 HydrophobicContact CD1-CG2 4.19Å; Y171-V242 HydrophobicContact CE1-CG1 3.68Å; Y171-V242 HydrophobicContact CG-CG1 4.14Å; Y171-V242 HydrophobicContact CG-CG2 4.02Å; V242-K319 HydrophobicContact CG1-CB 4.37Å; V242-K319 HydrophobicContact CG1-CD 4.4Å; V242-K319 PolarHBondContact O-NZ 3.25Å; V242-Q320 WeakPolarHBondContact CA-O 3.3Å; V242-M376 HydrophobicContact CG2-CE 3.33Å
243	D	95.8	Very high	95.7	Very high	42 Å²	42	46.3 Å²	46.3	23%	0.225	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	168.4	179.6	-137.4	-11.7	0	0	0	114.6	Y213 K319 Q320	Y213-D243 PolarHBondContact OH-OD2 3.04Å; D243-K319 VanDerWaalsContact CA-CD 3.49Å; D243-K319 WeakPolarHBondContact O-CB 3.44Å; D243-K319 IonicContact OD1-NZ 3.99Å; D243-K319 PolarHBondContact OD1-NZ 3Å; D243-Q320 PolarHBondContact N-O 3.23Å; D243-Q320 VanDerWaalsContact N-O 3.09Å; D243-Q320 PolarHBondContact O-N 3.29Å; D243-Q320 PolarHBondContact O-OE1 3.15Å
244	V	96.3	Very high	95.8	Very high	77 Å²	77	48.3 Å²	48.3	47%	0.467	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-81.2	121.2	175.4	-176.9	0	0	0	0	108.5	Y315 K319	V244-Y315 HydrophobicContact CG2-CD2 3.8Å; V244-Y315 HydrophobicContact CG2-CE2 3.8Å; V244-K319 HydrophobicContact CG2-CB 4.16Å; V244-K319 HydrophobicContact CG2-CD 3.83Å; V244-K319 HydrophobicContact CG2-CG 3.84Å
245	V	97.2	Very high	96.1	Very high	4 Å²	4	44.4 Å²	44.4	2%	0.024	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-93.3	131.9	176.4	174.3	0	0	0	0	109.2	I208 Q249 V291 P311 Q320 V322	I208-V245 HydrophobicContact CD1-CG1 4.22Å; I208-V245 HydrophobicContact CD1-CG2 4.36Å; I208-V245 HydrophobicContact CG2-CG1 3.88Å; V245-Q249 HydrophobicContact CG1-CB 4.33Å; V245-V291 HydrophobicContact CG2-CG1 4.06Å; V245-V291 HydrophobicContact CG2-CG2 4.03Å; V245-P311 HydrophobicContact CB-CB 4.2Å; V245-P311 HydrophobicContact CB-CG 4.1Å; V245-P311 HydrophobicContact CG1-CB 4.18Å; V245-P311 HydrophobicContact CG1-CG 4.12Å; V245-Q320 HydrophobicContact CG2-CB 4.2Å; V245-V322 HydrophobicContact CG2-CG2 3.86Å
246	D	97	Very high	96.2	Very high	77 Å²	77	43.4 Å²	43.4	41%	0.412	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-68.1	128.1	173.4	-175.6	-33.9	0	0	0	108.8	N248 Q249	D246-N248 PolarHBondContact O-N 2.89Å; D246-N248 VanDerWaalsContact OD1-CB 3.29Å; D246-N248 WeakPolarHBondContact OD1-CB 3.36Å; D246-N248 PolarHBondContact OD1-N 2.74Å; D246-N248 PolarHBondContact OD1-ND2 2.87Å; D246-Q249 HydrophobicContact CB-CG 4.09Å; D246-Q249 VanDerWaalsContact N-OE1 3.11Å; D246-Q249 VanDerWaalsContact O-CB 3.3Å; D246-Q249 WeakPolarHBondContact O-CB 3.43Å; D246-Q249 PolarHBondContact O-N 2.86Å
247	P	97.1	Very high	96	Very high	65 Å²	65	42.5 Å²	42.5	42%	0.422	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-51.4	-29.4	176.4	-6.3	1.3	0	0	0	114.1	Q249 V250 P311 D312	P247-Q249 VanDerWaalsContact C-N 3.26Å; P247-Q249 PolarHBondContact O-N 2.75Å; P247-V250 PolarHBondContact O-N 3.24Å; P247-P311 WeakPolarHBondContact CD-O 3.33Å; P247-P311 VanDerWaalsContact CG-O 3.28Å; P247-P311 WeakPolarHBondContact CG-O 3.49Å; P247-D312 HydrophobicContact CB-CB 4.28Å
248	N	97.2	Very high	95.2	Very high	116 Å²	116	43.9 Å²	43.9	62%	0.62	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-71.2	-17.6	177.6	-61	-55.9	0	0	0	113.3	D246 V250 R283	D246-N248 PolarHBondContact O-N 2.89Å; D246-N248 VanDerWaalsContact OD1-CB 3.29Å; D246-N248 WeakPolarHBondContact OD1-CB 3.36Å; D246-N248 PolarHBondContact OD1-N 2.74Å; D246-N248 PolarHBondContact OD1-ND2 2.87Å; N248-V250 VanDerWaalsContact C-N 3.3Å; N248-R283 PolarHBondContact O-NH1 2.93Å; N248-R283 PolarHBondContact O-NH2 2.82Å
249	Q	97.8	Very high	93.9	Very high	41 Å²	41	46.3 Å²	46.3	19%	0.192	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-76.3	-18.9	174.2	-71.4	177.8	-55.1	0	0	112.4	I208 E209 D210 V245 D246 P247 V251	I208-Q249 VanDerWaalsContact CA-O 3.26Å; I208-Q249 WeakPolarHBondContact CA-O 3.45Å; I208-Q249 HydrophobicContact CB-CB 4.26Å; E209-Q249 PolarHBondContact N-O 3.1Å; E209-Q249 VanDerWaalsContact O-CB 3.3Å; E209-Q249 WeakPolarHBondContact O-CB 3.25Å; E209-Q249 WeakPolarHBondContact O-CG 3.28Å; E209-Q249 PolarHBondContact O-NE2 2.87Å; D210-Q249 PolarHBondContact OD1-NE2 2.95Å; V245-Q249 HydrophobicContact CG1-CB 4.33Å; D246-Q249 HydrophobicContact CB-CG 4.09Å; D246-Q249 VanDerWaalsContact N-OE1 3.11Å; D246-Q249 VanDerWaalsContact O-CB 3.3Å; D246-Q249 WeakPolarHBondContact O-CB 3.43Å; D246-Q249 PolarHBondContact O-N 2.86Å; P247-Q249 VanDerWaalsContact C-N 3.26Å; P247-Q249 PolarHBondContact O-N 2.75Å; Q249-V251 WeakPolarHBondContact O-CG2 3.49Å; Q249-V251 PolarHBondContact O-N 2.91Å
250	V	98.2	Very high	92.6	Very high	30 Å²	30	46 Å²	46	18%	0.182	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-68.9	117.7	-178.6	-175.3	0	0	0	0	111.1	C206 I208 P247 N248 T252 P311	C206-V250 HydrophobicContact CB-CG1 4.03Å; I208-V250 HydrophobicContact CG2-CG2 4.2Å; P247-V250 PolarHBondContact O-N 3.24Å; N248-V250 VanDerWaalsContact C-N 3.3Å; V250-T252 WeakPolarHBondContact CG1-O 3.36Å; V250-P311 HydrophobicContact CG2-CB 4.11Å; V250-P311 HydrophobicContact CG2-CG 4.13Å
251	V	98.2	Very high	92.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.264	C	S	.	.			trans	-93.8	-32	-175.3	179.9	0	0	0	0	111.9	A207 E209 Q249 A281 N282 R283 D285 I287 I331	A207-V251 PolarHBondContact O-N 2.94Å; E209-V251 HydrophobicContact CB-CG2 3.96Å; Q249-V251 WeakPolarHBondContact O-CG2 3.49Å; Q249-V251 PolarHBondContact O-N 2.91Å; V251-A281 HydrophobicContact CG1-CB 4.42Å; V251-N282 WeakPolarHBondContact O-CB 3.46Å; V251-N282 PolarHBondContact O-N 3.27Å; V251-R283 HydrophobicContact CG1-CG 4.43Å; V251-D285 HydrophobicContact CG1-CB 3.8Å; V251-D285 HydrophobicContact CG2-CB 3.92Å; V251-I287 HydrophobicContact CB-CG1 4.43Å; V251-I287 HydrophobicContact CG1-CG1 4.33Å; V251-I331 HydrophobicContact CG1-CG2 4.05Å
252	T	98.5	Very high	92.2	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.012	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-109.9	172.5	-171	65	0	0	0	0	113.1	A207 V250 L279 V280 N282 I287	A207-T252 HydrophobicContact CB-CG2 3.71Å; A207-T252 PolarHBondContact N-OG1 2.79Å; V250-T252 WeakPolarHBondContact CG1-O 3.36Å; T252-L279 HydrophobicContact CG2-CB 3.92Å; T252-V280 CarbonylContact C-O 3.44Å; T252-V280 WeakPolarHBondContact CA-O 3.34Å; T252-V280 WeakPolarHBondContact CB-O 3.09Å; T252-N282 PolarHBondContact O-ND2 3.07Å; T252-I287 HydrophobicContact CG2-CD1 4.09Å
253	N	97.8	Very high	92.3	Very high	57 Å²	57	44 Å²	44	31%	0.305	25%	0.254	S	S	.	.			trans	-62.7	169.6	156.6	72.6	-60.2	0	0	0	110.7	L279 V280 N282	N253-L279 WeakPolarHBondContact O-CD2 3.43Å; N253-V280 PolarHBondContact N-O 2.92Å; N253-V280 PolarHBondContact OD1-N 3.16Å; N253-V280 PolarHBondContact OD1-O 2.91Å; N253-N282 PolarHBondContact N-ND2 3.31Å
254	C	97	Very high	92.3	Very high	62 Å²	62	44.8 Å²	44.8	42%	0.419	25%	0.254	S	S	.	.			trans	-93.8	136.1	170.3	-51.5	0	0	0	0	109.8	I205 F293	I205-C254 CarbonylContact O-C 3.48Å; I205-C254 WeakPolarHBondContact O-CA 3.3Å; C254-F293 HydrophobicContact CB-CE1 4.37Å; C254-F293 HydrophobicContact CB-CZ 3.93Å
255	A	96.3	Very high	92.2	Very high	12 Å²	12	45.6 Å²	45.6	10%	0.099	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	144.7	170.3	0	0	0	0	0	110	F204 I205 F277 L279	F204-A255 CarbonylContact C-O 3.53Å; F204-A255 VanDerWaalsContact CA-O 3.26Å; F204-A255 WeakPolarHBondContact CA-O 3.42Å; I205-A255 HydrophobicContact CG2-CB 3.91Å; I205-A255 PolarHBondContact N-O 2.81Å; I205-A255 PolarHBondContact O-N 2.84Å; A255-F277 HydrophobicContact CB-CB 4.14Å; A255-L279 HydrophobicContact CB-CD2 3.65Å
256	L	94.9	Very high	92.1	Very high	66 Å²	66	45.7 Å²	45.7	35%	0.346	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	116.2	174.9	179	60.8	0	0	0	108.6	L203 F204 V259	L203-L256 WeakPolarHBondContact O-CD1 3.48Å; F204-L256 HydrophobicContact CD1-CB 4.12Å; F204-L256 HydrophobicContact CD1-CD1 3.99Å; F204-L256 HydrophobicContact CD2-CD1 4.29Å; F204-L256 HydrophobicContact CE1-CB 3.97Å; F204-L256 HydrophobicContact CE1-CD1 3.63Å; F204-L256 HydrophobicContact CE1-CG 4.3Å; F204-L256 HydrophobicContact CE2-CD1 3.95Å; F204-L256 HydrophobicContact CG-CD1 4.31Å; F204-L256 HydrophobicContact CZ-CD1 3.62Å; L256-V259 HydrophobicContact CD1-CG2 4.49Å; L256-V259 HydrophobicContact CD2-CB 3.83Å; L256-V259 HydrophobicContact CD2-CG1 3.99Å; L256-V259 HydrophobicContact CD2-CG2 3.15Å; L256-V259 HydrophobicContact CG-CB 4.37Å; L256-V259 HydrophobicContact CG-CG2 3.65Å
257	L	89	Confident	92	Very high	5 Å²	5	47.2 Å²	47.2	3%	0.026	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	-51.5	177.2	-76.7	174.1	0	0	0	111	L203 I205 W273 S275 F277 T292 M341	L203-L257 HydrophobicContact CD2-CD1 4.05Å; L203-L257 HydrophobicContact CG-CD1 4.3Å; L203-L257 WeakPolarHBondContact O-CB 3.34Å; L203-L257 PolarHBondContact O-N 2.89Å; I205-L257 HydrophobicContact CB-CD1 3.66Å; I205-L257 HydrophobicContact CB-CD2 4.33Å; I205-L257 HydrophobicContact CB-CG 3.8Å; I205-L257 HydrophobicContact CD1-CD1 4.26Å; I205-L257 HydrophobicContact CG1-CD1 4.44Å; I205-L257 HydrophobicContact CG2-CD1 4.06Å; I205-L257 HydrophobicContact CG2-CD2 3.8Å; I205-L257 HydrophobicContact CG2-CG 3.62Å; L257-W273 HydrophobicContact CB-CH2 4.18Å; L257-W273 HydrophobicContact CB-CZ3 4.4Å; L257-W273 HydrophobicContact CD1-CH2 4.47Å; L257-S275 WeakPolarHBondContact O-CB 3.08Å; L257-S275 PolarHBondContact O-OG 3.49Å; L257-F277 HydrophobicContact CD2-CB 3.99Å; L257-F277 HydrophobicContact CD2-CD1 3.86Å; L257-F277 HydrophobicContact CD2-CG 4.31Å; L257-T292 HydrophobicContact CD1-CG2 4.01Å; L257-M341 HydrophobicContact CD1-SD 3.44Å; L257-M341 WeakPolarHBondContact CD1-SD 3.35Å; L257-M341 HydrophobicContact CD2-CB 3.97Å; L257-M341 HydrophobicContact CD2-SD 4.44Å
258	K	77.5	Confident	91.7	Very high	45 Å²	45	47.8 Å²	47.8	20%	0.196	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	106.6	-175.9	-171.7	75.9	168.8	-168.6	0	109.5	S202 L203 V261 D270 W273	S202-K258 VanDerWaalsContact CA-O 3.31Å; S202-K258 WeakPolarHBondContact CA-O 3.28Å; L203-K258 HydrophobicContact CB-CB 4.26Å; L203-K258 PolarHBondContact N-O 2.84Å; L203-K258 VanDerWaalsContact N-O 3.1Å; L203-K258 PolarHBondContact O-N 3.48Å; L203-K258 VanDerWaalsContact O-N 3.16Å; K258-V261 HydrophobicContact CG-CG2 4.27Å; K258-D270 PolarHBondContact NZ-O 2.76Å; K258-W273 HydrophobicContact CB-CH2 4.5Å; K258-W273 HydrophobicContact CB-CZ2 4.29Å; K258-W273 HydrophobicContact CD-CD2 4.05Å; K258-W273 HydrophobicContact CD-CG 4.05Å
259	V	65.7	Low	91.5	Very high	90 Å²	90	48.3 Å²	48.3	55%	0.545	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	-33.3	-177.9	-174.6	0	0	0	0	112.4	S202 L256	S202-V259 PolarHBondContact OG-O 3.39Å; L256-V259 HydrophobicContact CD1-CG2 4.49Å; L256-V259 HydrophobicContact CD2-CB 3.83Å; L256-V259 HydrophobicContact CD2-CG1 3.99Å; L256-V259 HydrophobicContact CD2-CG2 3.15Å; L256-V259 HydrophobicContact CG-CB 4.37Å; L256-V259 HydrophobicContact CG-CG2 3.65Å
260	S	66.3	Low	91.2	Very high	76 Å²	76	49.6 Å²	49.6	53%	0.531	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	52.3	-148.1	-167.1	0	0	0	0	113.9	D262	S260-D262 PolarHBondContact O-N 3.23Å
261	V	89	Confident	90.8	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.006	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	77.8	158.5	-169	0	0	0	0	107	W168 L173 F174 L179 R200 A201 K258 L263 V266	W168-V261 HydrophobicContact CH2-CG1 4.3Å; L173-V261 HydrophobicContact CD2-CG2 4.48Å; F174-V261 HydrophobicContact CE1-CG2 3.92Å; F174-V261 HydrophobicContact CZ-CG2 3.74Å; L179-V261 HydrophobicContact CD2-CG1 3.97Å; R200-V261 WeakPolarHBondContact CA-O 3.35Å; A201-V261 HydrophobicContact CB-CB 4.29Å; A201-V261 PolarHBondContact N-O 3.32Å; A201-V261 VanDerWaalsContact N-O 3.11Å; A201-V261 PolarHBondContact O-N 3.15Å; K258-V261 HydrophobicContact CG-CG2 4.27Å; V261-L263 HydrophobicContact CG1-CD1 3.99Å; V261-V266 HydrophobicContact CG1-CG1 4.39Å; V261-V266 HydrophobicContact CG1-CG2 4.46Å
262	D	94.6	Very high	90.5	Very high	54 Å²	54	52.9 Å²	52.9	29%	0.289	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	110.5	167.7	-178.7	-20.4	0	0	0	107.6	S260 Y264 T265 V266	S260-D262 PolarHBondContact O-N 3.23Å; D262-Y264 PolarHBondContact O-N 3.44Å; D262-Y264 VanDerWaalsContact O-N 3.12Å; D262-Y264 WeakPolarHBondContact OD1-CB 3.48Å; D262-Y264 WeakPolarHBondContact OD1-CD2 3.37Å; D262-Y264 PolarHBondContact OD1-N 2.98Å; D262-T265 PolarHBondContact O-N 3.3Å; D262-T265 VanDerWaalsContact O-N 3.07Å; D262-V266 VanDerWaalsContact O-CB 3.29Å; D262-V266 WeakPolarHBondContact O-CB 3.48Å; D262-V266 WeakPolarHBondContact O-CG1 3.26Å; D262-V266 PolarHBondContact O-N 3.32Å
263	L	96	Very high	90.3	Very high	3 Å²	3	53.7 Å²	53.7	2%	0.016	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-14.6	-174.6	-84.5	79.3	0	0	0	112.7	W168 L179 V182 R186 I196 D199 V261	W168-L263 HydrophobicContact CH2-CD1 4.42Å; W168-L263 HydrophobicContact CZ2-CD1 3.67Å; W168-L263 HydrophobicContact CZ2-CD2 4.02Å; W168-L263 HydrophobicContact CZ2-CG 4.37Å; L179-L263 HydrophobicContact CD1-CD2 4.29Å; L179-L263 HydrophobicContact CD1-CG 4.24Å; V182-L263 HydrophobicContact CG1-CD2 3.89Å; R186-L263 WeakPolarHBondContact CD-O 3.48Å; R186-L263 PolarHBondContact NH1-O 3.25Å; I196-L263 HydrophobicContact CB-CB 4.47Å; I196-L263 HydrophobicContact CD1-CB 3.93Å; I196-L263 WeakPolarHBondContact CD1-O 3.26Å; I196-L263 HydrophobicContact CG2-CB 4.14Å; I196-L263 HydrophobicContact CG2-CD2 3.82Å; D199-L263 PolarHBondContact O-N 3Å; V261-L263 HydrophobicContact CG1-CD1 3.99Å
264	Y	96.4	Very high	90.1	Very high	58 Å²	58	55.5 Å²	55.5	23%	0.227	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-26.4	174.2	-60	-71.8	0	0	0	112.9	G194 I196 D199 D262 K300	G194-Y264 WeakPolarHBondContact O-CE1 3.44Å; I196-Y264 HydrophobicContact CB-CE1 4.22Å; I196-Y264 HydrophobicContact CD1-CD1 3.83Å; I196-Y264 HydrophobicContact CD1-CE1 3.98Å; I196-Y264 HydrophobicContact CD1-CG 4.48Å; I196-Y264 HydrophobicContact CG1-CD1 4.11Å; I196-Y264 HydrophobicContact CG1-CE1 3.72Å; I196-Y264 PolarHBondContact N-OH 3.33Å; D199-Y264 HydrophobicContact CB-CD2 4.26Å; D199-Y264 HydrophobicContact CB-CE2 3.39Å; D199-Y264 WeakPolarHBondContact OD2-CE2 3.19Å; D199-Y264 PolarHBondContact OD2-OH 3.04Å; D262-Y264 PolarHBondContact O-N 3.44Å; D262-Y264 VanDerWaalsContact O-N 3.12Å; D262-Y264 WeakPolarHBondContact OD1-CB 3.48Å; D262-Y264 WeakPolarHBondContact OD1-CD2 3.37Å; D262-Y264 PolarHBondContact OD1-N 2.98Å; Y264-K300 VanDerWaalsContact CZ-CE 3.46Å; Y264-K300 WeakPolarHBondContact OH-CE 3.24Å; Y264-K300 WeakPolarHBondContact OH-CG 3.35Å
265	T	95.5	Very high	90.1	Very high	94 Å²	94	53.6 Å²	53.6	58%	0.577	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.6	-21.3	-171.1	62.9	0	0	0	0	114.7	D262	D262-T265 PolarHBondContact O-N 3.3Å; D262-T265 VanDerWaalsContact O-N 3.07Å
266	V	94.8	Very high	90.1	Very high	5 Å²	5	57.7 Å²	57.7	3%	0.03	32%	0.32	C	S	.	.			trans	-59.5	139.1	-176.7	69.3	0	0	0	0	111.2	I183 R186 V261 D262 D270 L271	I183-V266 HydrophobicContact CD1-CG1 4.02Å; I183-V266 HydrophobicContact CG1-CG1 4.08Å; R186-V266 PolarHBondContact NH1-O 3.35Å; R186-V266 PolarHBondContact NH2-O 3.34Å; V261-V266 HydrophobicContact CG1-CG1 4.39Å; V261-V266 HydrophobicContact CG1-CG2 4.46Å; D262-V266 VanDerWaalsContact O-CB 3.29Å; D262-V266 WeakPolarHBondContact O-CB 3.48Å; D262-V266 WeakPolarHBondContact O-CG1 3.26Å; D262-V266 PolarHBondContact O-N 3.32Å; V266-D270 HydrophobicContact CG2-CB 3.98Å; V266-L271 HydrophobicContact CG2-CD2 4Å
267	K	94.3	Very high	90.2	Very high	109 Å²	109	55 Å²	55	47%	0.474	31%	0.306	S	S	.	.			trans	-113	162.7	172.8	-61	175.5	-178.5	179.3	0	110.5	E269 D270	K267-E269 HydrophobicContact CB-CG 3.78Å; K267-E269 HydrophobicContact CD-CG 4.07Å; K267-E269 WeakPolarHBondContact CD-OE1 3.24Å; K267-E269 IonicContact NZ-OE1 2.97Å; K267-E269 PolarHBondContact NZ-OE1 3.36Å; K267-E269 PolarHBondContact O-N 2.86Å; K267-D270 WeakPolarHBondContact CB-OD2 3.44Å; K267-D270 PolarHBondContact N-OD2 2.95Å; K267-D270 WeakPolarHBondContact O-CB 3.41Å; K267-D270 PolarHBondContact O-N 2.85Å
268	V	91.3	Very high	90.6	Very high	77 Å²	77	60.5 Å²	60.5	47%	0.467	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-57.7	-36.4	177.4	-179.7	0	0	0	0	111.6	I183 D270 L271	I183-V268 HydrophobicContact CD1-CG2 4.24Å; I183-V268 HydrophobicContact CG2-CG2 4.25Å; V268-D270 VanDerWaalsContact C-N 3.26Å; V268-D270 PolarHBondContact O-N 2.94Å; V268-L271 WeakPolarHBondContact O-CB 3.47Å; V268-L271 WeakPolarHBondContact O-CG 3.41Å; V268-L271 PolarHBondContact O-N 3.46Å
269	E	91.5	Very high	91.6	Very high	128 Å²	128	58.3 Å²	58.3	60%	0.598	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-61.9	-29.5	175.7	60.4	-167.1	-167.4	0	0	113.4	K267 L271 T272	K267-E269 HydrophobicContact CB-CG 3.78Å; K267-E269 HydrophobicContact CD-CG 4.07Å; K267-E269 WeakPolarHBondContact CD-OE1 3.24Å; K267-E269 IonicContact NZ-OE1 2.97Å; K267-E269 PolarHBondContact NZ-OE1 3.36Å; K267-E269 PolarHBondContact O-N 2.86Å; E269-L271 PolarHBondContact O-N 3.49Å; E269-T272 PolarHBondContact O-N 3.32Å
270	D	91.6	Very high	93.2	Very high	67 Å²	67	56.4 Å²	56.4	36%	0.358	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-76.1	-9.7	-179.2	-59	-46.9	0	0	0	113.6	K258 V266 K267 V268 T272	K258-D270 PolarHBondContact NZ-O 2.76Å; V266-D270 HydrophobicContact CG2-CB 3.98Å; K267-D270 WeakPolarHBondContact CB-OD2 3.44Å; K267-D270 PolarHBondContact N-OD2 2.95Å; K267-D270 WeakPolarHBondContact O-CB 3.41Å; K267-D270 PolarHBondContact O-N 2.85Å; V268-D270 VanDerWaalsContact C-N 3.26Å; V268-D270 PolarHBondContact O-N 2.94Å; D270-T272 VanDerWaalsContact C-N 3.33Å
271	L	89.9	Confident	94.7	Very high	20 Å²	20	52.9 Å²	52.9	11%	0.105	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-80.8	-16.1	178.4	-52.7	-173	0	0	0	112.4	F174 L179 N180 I183 V266 V268 E269	F174-L271 HydrophobicContact CE1-CD2 4.18Å; L179-L271 HydrophobicContact CD2-CD1 4.08Å; L179-L271 HydrophobicContact CD2-CD2 3.51Å; L179-L271 HydrophobicContact CD2-CG 4.47Å; L179-L271 HydrophobicContact CG-CD1 4.35Å; L179-L271 HydrophobicContact CG-CD2 4.44Å; N180-L271 WeakPolarHBondContact OD1-CD1 3.22Å; I183-L271 HydrophobicContact CD1-CD1 4.49Å; V266-L271 HydrophobicContact CG2-CD2 4Å; V268-L271 WeakPolarHBondContact O-CB 3.47Å; V268-L271 WeakPolarHBondContact O-CG 3.41Å; V268-L271 PolarHBondContact O-N 3.46Å; E269-L271 PolarHBondContact O-N 3.49Å
272	T	92.4	Very high	95.1	Very high	79 Å²	79	57.1 Å²	57.1	49%	0.485	31%	0.306	S	S	.	.	S	Bend	trans	-91.5	116.8	163.9	-59.9	0	0	0	0	108.6	E269 D270 V343 R344 P345	E269-T272 PolarHBondContact O-N 3.32Å; D270-T272 VanDerWaalsContact C-N 3.33Å; T272-V343 WeakPolarHBondContact CA-O 3.37Å; T272-R344 HydrophobicContact CG2-CB 3.83Å; T272-P345 WeakPolarHBondContact OG1-CD 3.3Å
273	W	93.8	Very high	95.3	Very high	20 Å²	20	58.8 Å²	58.8	8%	0.076	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	158.1	-174.2	55.5	-91.8	0	0	0	112.5	F174 L203 L257 K258 S342 V343	F174-W273 AromaticContact CE2-CZ2 3.93Å; F174-W273 HydrophobicContact CE2-CZ2 3.93Å; F174-W273 AromaticContact CE2-NE1 3.81Å; L203-W273 HydrophobicContact CD2-CH2 3.98Å; L203-W273 HydrophobicContact CD2-CZ2 3.9Å; L257-W273 HydrophobicContact CB-CH2 4.18Å; L257-W273 HydrophobicContact CB-CZ3 4.4Å; L257-W273 HydrophobicContact CD1-CH2 4.47Å; K258-W273 HydrophobicContact CB-CH2 4.5Å; K258-W273 HydrophobicContact CB-CZ2 4.29Å; K258-W273 HydrophobicContact CD-CD2 4.05Å; K258-W273 HydrophobicContact CD-CG 4.05Å; W273-S342 CarbonylContact O-C 3.57Å; W273-S342 VanDerWaalsContact O-CA 3.26Å; W273-S342 WeakPolarHBondContact O-CA 3.48Å; W273-V343 HydrophobicContact CD2-CG2 4.42Å; W273-V343 HydrophobicContact CH2-CG2 3.57Å; W273-V343 HydrophobicContact CZ2-CB 4.04Å; W273-V343 HydrophobicContact CZ2-CG2 3.37Å; W273-V343 HydrophobicContact CZ3-CG2 4.17Å; W273-V343 PolarHBondContact N-O 2.86Å; W273-V343 PolarHBondContact O-N 3.04Å
274	T	95.1	Very high	95.4	Very high	94 Å²	94	64.1 Å²	64.1	58%	0.577	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.9	134.9	169.5	-60.1	0	0	0	0	108.3	M341 S342	T274-M341 CarbonylContact C-O 3.58Å; T274-M341 WeakPolarHBondContact CA-O 3.43Å; T274-S342 WeakPolarHBondContact CB-OG 3.48Å; T274-S342 VanDerWaalsContact CG2-OG 3.26Å; T274-S342 WeakPolarHBondContact CG2-OG 3.43Å; T274-S342 WeakPolarHBondContact OG1-CB 3.18Å; T274-S342 PolarHBondContact OG1-OG 3.07Å
275	S	95.8	Very high	95.5	Very high	22 Å²	22	63.1 Å²	63.1	15%	0.154	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	133.2	179.5	-167.1	0	0	0	0	111.7	L257 T340 M341	L257-S275 WeakPolarHBondContact O-CB 3.08Å; L257-S275 PolarHBondContact O-OG 3.49Å; S275-T340 CarbonylContact O-C 3.52Å; S275-T340 WeakPolarHBondContact O-CA 3.46Å; S275-M341 PolarHBondContact N-O 3.48Å; S275-M341 PolarHBondContact O-N 2.86Å
276	P	96.9	Very high	95.6	Very high	98 Å²	98	63 Å²	63	64%	0.636	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.5	150	170.4	33	-33.9	0	0	0	110.9	G339 T340	P276-G339 CarbonylContact C-O 3.57Å; P276-G339 VanDerWaalsContact CA-O 3.25Å; P276-G339 WeakPolarHBondContact CA-O 3.41Å; P276-T340 HydrophobicContact CB-CG2 4.41Å
277	F	97.1	Very high	95.7	Very high	11 Å²	11	62.8 Å²	62.8	5%	0.048	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	156.7	171	62	-97.5	0	0	0	111.2	I205 A255 L257 L279 M290 N338 G339 M341 M357	I205-F277 HydrophobicContact CD1-CD1 4.24Å; I205-F277 HydrophobicContact CD1-CE1 4.13Å; I205-F277 HydrophobicContact CD1-CG 4.49Å; I205-F277 HydrophobicContact CD1-CZ 4.29Å; I205-F277 HydrophobicContact CG2-CB 3.96Å; I205-F277 HydrophobicContact CG2-CG 4.14Å; A255-F277 HydrophobicContact CB-CB 4.14Å; L257-F277 HydrophobicContact CD2-CB 3.99Å; L257-F277 HydrophobicContact CD2-CD1 3.86Å; L257-F277 HydrophobicContact CD2-CG 4.31Å; F277-L279 HydrophobicContact CD2-CD1 4.2Å; F277-L279 HydrophobicContact CD2-CG 4.06Å; F277-L279 HydrophobicContact CE2-CD1 4.3Å; F277-M290 HydrophobicContact CE2-CE 4.39Å; F277-N338 WeakPolarHBondContact O-CA 3.33Å; F277-G339 PolarHBondContact N-O 2.93Å; F277-G339 PolarHBondContact O-N 3.09Å; F277-M341 HydrophobicContact CD1-CB 4.39Å; F277-M341 HydrophobicContact CE1-CB 4.3Å; F277-M357 HydrophobicContact CE1-CG 4.19Å; F277-M357 HydrophobicContact CZ-CG 4.24Å; F277-M357 HydrophobicContact CZ-SD 4.35Å
278	K	98.1	Very high	95.9	Very high	119 Å²	119	58.1 Å²	58.1	52%	0.517	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	122.7	172.4	179	174.9	-178.3	176.5	0	109.4	A336 V337 N338	K278-A336 HydrophobicContact CG-CB 4.35Å; K278-V337 WeakPolarHBondContact CA-O 3.46Å; K278-N338 WeakPolarHBondContact CG-OD1 3.19Å
279	L	98.5	Very high	96.2	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	126.4	-179.8	-60.6	176.9	0	0	0	109	I205 A207 T252 N253 A255 F277 M290 A336 V337	I205-L279 HydrophobicContact CG2-CD2 4.29Å; I205-L279 WeakPolarHBondContact O-CD2 3.42Å; A207-L279 HydrophobicContact CB-CD1 4.02Å; T252-L279 HydrophobicContact CG2-CB 3.92Å; N253-L279 WeakPolarHBondContact O-CD2 3.43Å; A255-L279 HydrophobicContact CB-CD2 3.65Å; F277-L279 HydrophobicContact CD2-CD1 4.2Å; F277-L279 HydrophobicContact CD2-CG 4.06Å; F277-L279 HydrophobicContact CE2-CD1 4.3Å; L279-M290 HydrophobicContact CD1-CE 4.39Å; L279-M290 HydrophobicContact CD1-SD 3.67Å; L279-A336 CarbonylContact O-C 3.56Å; L279-A336 WeakPolarHBondContact O-CA 3.37Å; L279-V337 PolarHBondContact N-O 2.93Å; L279-V337 PolarHBondContact O-N 3.35Å
280	V	98.4	Very high	96.5	Very high	49 Å²	49	48.3 Å²	48.3	30%	0.297	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	128.9	179.7	-177.7	0	0	0	0	108.3	T252 N253 E335 A336	T252-V280 CarbonylContact C-O 3.44Å; T252-V280 WeakPolarHBondContact CA-O 3.34Å; T252-V280 WeakPolarHBondContact CB-O 3.09Å; N253-V280 PolarHBondContact N-O 2.92Å; N253-V280 PolarHBondContact OD1-N 3.16Å; N253-V280 PolarHBondContact OD1-O 2.91Å; V280-E335 WeakPolarHBondContact CA-O 3.36Å; V280-A336 HydrophobicContact CG2-CB 4.13Å
281	A	98.3	Very high	96.8	Very high	2 Å²	2	45.1 Å²	45.1	2%	0.017	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-69.7	131	-180	0	0	0	0	0	112	V251 I331 K332 G334 E335	V251-A281 HydrophobicContact CG1-CB 4.42Å; A281-I331 HydrophobicContact CB-CD1 3.72Å; A281-I331 HydrophobicContact CB-CG1 3.72Å; A281-I331 HydrophobicContact CB-CG2 4.09Å; A281-K332 WeakPolarHBondContact CB-O 3.06Å; A281-G334 PolarHBondContact O-N 3.09Å; A281-E335 PolarHBondContact N-O 3.37Å
282	N	97.6	Very high	97.2	Very high	91 Å²	91	44.2 Å²	44.2	49%	0.487	23%	0.233	S	C	.	.	S	Bend	trans	-86.2	-19.8	176.7	-66.8	-36.5	0	0	0	112.5	V251 T252 N253 R333	V251-N282 WeakPolarHBondContact O-CB 3.46Å; V251-N282 PolarHBondContact O-N 3.27Å; T252-N282 PolarHBondContact O-ND2 3.07Å; N253-N282 PolarHBondContact N-ND2 3.31Å; N282-R333 VanDerWaalsContact O-CD 3.3Å; N282-R333 WeakPolarHBondContact O-CD 3.37Å; N282-R333 WeakPolarHBondContact O-CG 3.36Å; N282-R333 PolarHBondContact O-NE 3.49Å
283	R	97.8	Very high	97.4	Very high	89 Å²	89	41 Å²	41	34%	0.336	21%	0.213	S	C	.	.	S	Bend	trans	-147.2	164.5	-179.7	64.9	-177.1	-169.6	-144.9	7.3	110.4	N248 V251 D285	N248-R283 PolarHBondContact O-NH1 2.93Å; N248-R283 PolarHBondContact O-NH2 2.82Å; V251-R283 HydrophobicContact CG1-CG 4.43Å; R283-D285 HydrophobicContact CG-CB 4.24Å; R283-D285 IonicContact CZ-OD2 3.74Å; R283-D285 VanDerWaalsContact CZ-OD2 3.23Å; R283-D285 IonicContact NE-OD2 2.72Å; R283-D285 PolarHBondContact NE-OD2 3.47Å; R283-D285 IonicContact NH2-OD2 3.46Å; R283-D285 PolarHBondContact NH2-OD2 3.35Å
284	N	98.2	Very high	97.6	Very high	115 Å²	115	40.2 Å²	40.2	62%	0.615	21%	0.21	S	C	*	.	S	Bend	trans	-75.3	124.8	169.6	-58.1	-8	0	0	0	107.6	I331 K332 R333	N284-I331 WeakPolarHBondContact CA-O 3.41Å; N284-K332 WeakPolarHBondContact OD1-CA 3.41Å; N284-R333 WeakPolarHBondContact OD1-CB 3.27Å; N284-R333 PolarHBondContact OD1-N 3Å
285	D	97.8	Very high	97.7	Very high	37 Å²	37	37 Å²	37	20%	0.198	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.5	-170.8	-177.5	-141.5	-27.7	0	0	0	111.6	E209 V251 R283 I331	E209-D285 WeakPolarHBondContact CG-OD1 3.33Å; V251-D285 HydrophobicContact CG1-CB 3.8Å; V251-D285 HydrophobicContact CG2-CB 3.92Å; R283-D285 HydrophobicContact CG-CB 4.24Å; R283-D285 IonicContact CZ-OD2 3.74Å; R283-D285 VanDerWaalsContact CZ-OD2 3.23Å; R283-D285 IonicContact NE-OD2 2.72Å; R283-D285 PolarHBondContact NE-OD2 3.47Å; R283-D285 IonicContact NH2-OD2 3.46Å; R283-D285 PolarHBondContact NH2-OD2 3.35Å; D285-I331 PolarHBondContact N-O 3.37Å; D285-I331 WeakPolarHBondContact O-CG2 3.43Å; D285-I331 PolarHBondContact O-N 3.39Å; D285-I331 VanDerWaalsContact O-O 3.11Å
286	F	97.9	Very high	97.7	Very high	91 Å²	91	36 Å²	36	40%	0.399	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	144	167	-58.3	-86.9	0	0	0	111.3	E209 I329 T330	E209-F286 WeakPolarHBondContact CA-O 3.37Å; E209-F286 WeakPolarHBondContact CB-O 3.35Å; E209-F286 HydrophobicContact CG-CB 4.43Å; F286-I329 CarbonylContact C-O 3.47Å; F286-I329 VanDerWaalsContact CA-O 3.24Å; F286-I329 WeakPolarHBondContact CA-O 3.36Å; F286-T330 HydrophobicContact CD1-CG2 4.32Å; F286-T330 HydrophobicContact CE1-CG2 3.85Å; F286-T330 VanDerWaalsContact CE1-OG1 3.3Å; F286-T330 WeakPolarHBondContact CE1-OG1 3.33Å; F286-T330 HydrophobicContact CZ-CG2 4.48Å
287	I	98.1	Very high	97.7	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	122.6	166.5	-65.5	167.4	0	0	0	108	A207 I208 V251 T252 M290 L325 S328 I329 I331 V337	A207-I287 HydrophobicContact CB-CB 4.43Å; A207-I287 HydrophobicContact CB-CD1 3.79Å; A207-I287 HydrophobicContact CB-CG1 3.88Å; A207-I287 HydrophobicContact CB-CG2 3.74Å; I208-I287 WeakPolarHBondContact O-CA 3.42Å; V251-I287 HydrophobicContact CB-CG1 4.43Å; V251-I287 HydrophobicContact CG1-CG1 4.33Å; T252-I287 HydrophobicContact CG2-CD1 4.09Å; I287-M290 HydrophobicContact CG2-CE 4.49Å; I287-L325 HydrophobicContact CG2-CD1 4.03Å; I287-S328 WeakPolarHBondContact O-CA 3.18Å; I287-I329 HydrophobicContact CB-CB 4.13Å; I287-I329 HydrophobicContact CB-CD1 4.49Å; I287-I329 HydrophobicContact CG2-CD1 4.43Å; I287-I329 PolarHBondContact N-O 2.8Å; I287-I329 PolarHBondContact O-N 2.81Å; I287-I331 HydrophobicContact CD1-CB 4.46Å; I287-I331 HydrophobicContact CD1-CD1 3.87Å; I287-I331 HydrophobicContact CD1-CG2 3.94Å; I287-I331 HydrophobicContact CG1-CG2 4.01Å; I287-V337 HydrophobicContact CD1-CG2 3.78Å
288	Q	97.5	Very high	97.7	Very high	11 Å²	11	32.8 Å²	32.8	5%	0.051	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	-29.2	178.9	-63.8	-67.6	-9.3	0	0	112.3	I208 D210 R211 L325 S328	I208-Q288 PolarHBondContact O-N 2.76Å; D210-Q288 HydrophobicContact CB-CB 4.47Å; R211-Q288 HydrophobicContact CB-CG 4.22Å; Q288-L325 PolarHBondContact O-N 2.89Å; Q288-S328 VanDerWaalsContact NE2-CB 3.32Å
289	A	97.8	Very high	97.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	157.8	-176.6	0	0	0	0	0	111.7	A207 I208 V322 F323 Y324	A207-A289 WeakPolarHBondContact CA-O 3.26Å; I208-A289 HydrophobicContact CD1-CB 4.25Å; I208-A289 HydrophobicContact CG1-CB 3.89Å; I208-A289 PolarHBondContact N-O 3.34Å; I208-A289 PolarHBondContact O-N 2.93Å; A289-V322 HydrophobicContact CB-CG1 3.59Å; A289-F323 CarbonylContact C-O 3.52Å; A289-F323 VanDerWaalsContact CA-O 3.24Å; A289-F323 WeakPolarHBondContact CA-O 3.28Å; A289-F323 WeakPolarHBondContact CB-O 3.39Å; A289-Y324 HydrophobicContact CB-CD1 3.74Å; A289-Y324 HydrophobicContact CB-CE1 4.04Å; A289-Y324 HydrophobicContact CB-CG 4.16Å
290	M	97.7	Very high	97.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	146.2	163.1	-58.4	-60.9	177	0	0	109.6	I205 C206 A207 F277 L279 I287 F323 L325 V337 M357 V359	I205-M290 HydrophobicContact CD1-CB 3.96Å; I205-M290 HydrophobicContact CD1-CG 4.3Å; I205-M290 HydrophobicContact CG1-CB 4.17Å; C206-M290 CarbonylContact O-C 3.54Å; C206-M290 WeakPolarHBondContact O-CA 3.44Å; A207-M290 HydrophobicContact CB-SD 3.72Å; F277-M290 HydrophobicContact CE2-CE 4.39Å; L279-M290 HydrophobicContact CD1-CE 4.39Å; L279-M290 HydrophobicContact CD1-SD 3.67Å; I287-M290 HydrophobicContact CG2-CE 4.49Å; M290-F323 HydrophobicContact CB-CB 4.36Å; M290-F323 PolarHBondContact N-O 3.03Å; M290-F323 PolarHBondContact O-N 3.28Å; M290-L325 HydrophobicContact CE-CD1 4.38Å; M290-V337 HydrophobicContact CE-CG1 3.97Å; M290-M357 HydrophobicContact CB-CE 4.11Å; M290-M357 HydrophobicContact CB-SD 4.03Å; M290-M357 HydrophobicContact CG-CE 4.35Å; M290-M357 HydrophobicContact CG-SD 3.61Å; M290-V359 HydrophobicContact CE-CG1 4.06Å; M290-V359 HydrophobicContact CE-CG2 4.12Å
291	V	98.2	Very high	97.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	130.9	179.8	177.5	0	0	0	0	109.1	I205 C206 I208 V245 Q320 T321 V322	I205-V291 CarbonylContact C-O 3.56Å; I205-V291 VanDerWaalsContact CA-O 3.24Å; I205-V291 WeakPolarHBondContact CA-O 3.36Å; C206-V291 PolarHBondContact N-O 2.71Å; C206-V291 PolarHBondContact O-N 2.94Å; I208-V291 HydrophobicContact CB-CG2 4.24Å; I208-V291 HydrophobicContact CD1-CG2 3.55Å; I208-V291 HydrophobicContact CG1-CG2 3.74Å; I208-V291 HydrophobicContact CG2-CB 4.29Å; I208-V291 HydrophobicContact CG2-CG2 3.49Å; I208-V291 VanDerWaalsContact CG2-CG2 3.49Å; V245-V291 HydrophobicContact CG2-CG1 4.06Å; V245-V291 HydrophobicContact CG2-CG2 4.03Å; V291-Q320 HydrophobicContact CG1-CB 3.58Å; V291-Q320 HydrophobicContact CG1-CG 4.07Å; V291-T321 CarbonylContact C-O 3.52Å; V291-T321 WeakPolarHBondContact CA-O 3.48Å; V291-V322 HydrophobicContact CG2-CG1 4.33Å; V291-V322 HydrophobicContact CG2-CG2 4.22Å
292	T	97.9	Very high	97.1	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	146.3	170.3	68.3	0	0	0	0	111.8	C172 F204 I205 L257 T321 F323 M341	C172-T292 PolarHBondContact SG-OG1 2.96Å; F204-T292 WeakPolarHBondContact O-CA 3.29Å; F204-T292 WeakPolarHBondContact O-CB 3.43Å; I205-T292 HydrophobicContact CB-CG2 4.38Å; I205-T292 HydrophobicContact CG1-CG2 4.22Å; L257-T292 HydrophobicContact CD1-CG2 4.01Å; T292-T321 PolarHBondContact N-O 3.16Å; T292-T321 PolarHBondContact O-N 3.31Å; T292-T321 VanDerWaalsContact O-N 3.07Å; T292-F323 HydrophobicContact CG2-CD2 4.26Å; T292-F323 HydrophobicContact CG2-CE2 3.73Å; T292-M341 HydrophobicContact CG2-CE 4.08Å; T292-M341 HydrophobicContact CG2-SD 4.12Å
293	F	97.7	Very high	96.9	Very high	12 Å²	12	43.9 Å²	43.9	5%	0.053	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	164.5	175.8	62.8	-93.2	0	0	0	108.5	F204 C254 A310 Q320	F204-F293 HydrophobicContact CB-CD1 4.36Å; F204-F293 HydrophobicContact CB-CD2 3.97Å; F204-F293 HydrophobicContact CB-CE1 3.9Å; F204-F293 HydrophobicContact CB-CE2 3.46Å; F204-F293 VanDerWaalsContact CB-CE2 3.46Å; F204-F293 HydrophobicContact CB-CG 4.4Å; F204-F293 HydrophobicContact CB-CZ 3.42Å; F204-F293 VanDerWaalsContact CB-CZ 3.42Å; F204-F293 HydrophobicContact CD2-CD2 4.39Å; F204-F293 AromaticContact CD2-CE2 3.96Å; F204-F293 HydrophobicContact CD2-CE2 3.96Å; F204-F293 HydrophobicContact CG-CD2 4.47Å; F204-F293 AromaticContact CG-CE2 3.78Å; F204-F293 HydrophobicContact CG-CE2 3.78Å; F204-F293 HydrophobicContact CG-CZ 4.05Å; F204-F293 PolarHBondContact N-O 2.86Å; F204-F293 PolarHBondContact O-N 2.99Å; C254-F293 HydrophobicContact CB-CE1 4.37Å; C254-F293 HydrophobicContact CB-CZ 3.93Å; F293-A310 HydrophobicContact CD1-CB 4.38Å; F293-A310 HydrophobicContact CD2-CB 3.43Å; F293-A310 VanDerWaalsContact CD2-CB 3.43Å; F293-A310 HydrophobicContact CE1-CB 4.41Å; F293-A310 HydrophobicContact CE2-CB 3.47Å; F293-A310 VanDerWaalsContact CE2-CB 3.47Å; F293-A310 HydrophobicContact CG-CB 3.91Å; F293-A310 HydrophobicContact CZ-CB 3.98Å; F293-Q320 HydrophobicContact CB-CG 4.13Å
294	F	97.3	Very high	96.7	Very high	3 Å²	3	46 Å²	46	1%	0.013	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	164.3	-176.1	63.6	-96	0	0	0	113.1	M169 L173 S202 L203 V296 F307 S308 T309 W318	M169-F294 HydrophobicContact CB-CE2 4.14Å; M169-F294 HydrophobicContact CB-CZ 4.02Å; M169-F294 HydrophobicContact CG-CE2 4.21Å; L173-F294 HydrophobicContact CB-CB 4.1Å; L173-F294 HydrophobicContact CB-CD1 3.96Å; L173-F294 HydrophobicContact CB-CG 4.09Å; L173-F294 HydrophobicContact CD1-CB 4.32Å; L173-F294 HydrophobicContact CD1-CD1 4.42Å; L173-F294 HydrophobicContact CD1-CD2 3.98Å; L173-F294 HydrophobicContact CD1-CE2 4.35Å; L173-F294 HydrophobicContact CD1-CG 4.01Å; L173-F294 HydrophobicContact CD2-CB 4.32Å; L173-F294 HydrophobicContact CG-CB 4.5Å; S202-F294 CarbonylContact O-C 3.51Å; S202-F294 WeakPolarHBondContact O-CA 3.29Å; S202-F294 VanDerWaalsContact O-CB 3.27Å; S202-F294 WeakPolarHBondContact O-CB 3.38Å; L203-F294 HydrophobicContact CD1-CB 4.15Å; F294-V296 HydrophobicContact CD2-CG2 3.72Å; F294-V296 HydrophobicContact CE2-CG2 3.7Å; F294-F307 HydrophobicContact CE2-CE2 4.06Å; F294-F307 HydrophobicContact CE2-CZ 4.44Å; F294-S308 WeakPolarHBondContact O-CA 3.24Å; F294-T309 HydrophobicContact CD1-CG2 4.25Å; F294-T309 HydrophobicContact CD2-CG2 4.09Å; F294-T309 HydrophobicContact CE1-CG2 3.88Å; F294-T309 HydrophobicContact CE2-CG2 3.7Å; F294-T309 HydrophobicContact CG-CG2 4.35Å; F294-T309 HydrophobicContact CZ-CG2 3.59Å; F294-T309 PolarHBondContact N-OG1 3.29Å; F294-T309 PolarHBondContact O-N 3.4Å; F294-T309 PolarHBondContact O-OG1 3.3Å; F294-W318 HydrophobicContact CE1-CB 3.97Å; F294-W318 HydrophobicContact CE1-CD2 4.29Å; F294-W318 AromaticContact CE1-CG 3.86Å; F294-W318 HydrophobicContact CE1-CG 3.86Å; F294-W318 HydrophobicContact CE2-CD2 4.46Å; F294-W318 HydrophobicContact CZ-CB 4.1Å; F294-W318 AromaticContact CZ-CD1 3.95Å; F294-W318 AromaticContact CZ-CD2 3.54Å; F294-W318 HydrophobicContact CZ-CD2 3.54Å; F294-W318 AromaticContact CZ-CE2 3.83Å; F294-W318 AromaticContact CZ-CE3 3.95Å; F294-W318 HydrophobicContact CZ-CE3 3.95Å; F294-W318 AromaticContact CZ-CG 3.6Å; F294-W318 HydrophobicContact CZ-CG 3.6Å; F294-W318 HydrophobicContact CZ-CZ2 4.42Å
295	T	96.8	Very high	96.6	Very high	26 Å²	26	41.9 Å²	41.9	16%	0.16	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	148.8	169.9	65.2	0	0	0	0	109.7	A201 S202 F204 F307	A201-T295 VanDerWaalsContact CA-O 3.26Å; A201-T295 WeakPolarHBondContact CA-O 3.44Å; S202-T295 PolarHBondContact N-O 2.86Å; S202-T295 PolarHBondContact O-N 2.94Å; F204-T295 HydrophobicContact CD2-CG2 4.16Å; F204-T295 HydrophobicContact CE2-CG2 3.65Å; F204-T295 HydrophobicContact CZ-CG2 4.49Å; T295-F307 WeakPolarHBondContact CA-O 3.36Å
296	V	96.6	Very high	96.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	131.5	178.8	178	0	0	0	0	108.5	M169 P198 R200 F294 F298 G306 F307	M169-V296 HydrophobicContact CE-CG2 4.13Å; M169-V296 HydrophobicContact CG-CG2 4.15Å; M169-V296 HydrophobicContact SD-CG2 4.4Å; P198-V296 HydrophobicContact CB-CG1 3.21Å; P198-V296 HydrophobicContact CG-CG1 3.43Å; P198-V296 VanDerWaalsContact CG-CG1 3.43Å; R200-V296 WeakPolarHBondContact O-CA 3.45Å; F294-V296 HydrophobicContact CD2-CG2 3.72Å; F294-V296 HydrophobicContact CE2-CG2 3.7Å; V296-F298 HydrophobicContact CG1-CE2 4.24Å; V296-G306 CarbonylContact O-C 3.57Å; V296-G306 WeakPolarHBondContact O-CA 3.2Å; V296-F307 HydrophobicContact CB-CD1 4.12Å; V296-F307 HydrophobicContact CB-CE1 3.7Å; V296-F307 HydrophobicContact CB-CE2 4.39Å; V296-F307 HydrophobicContact CB-CZ 3.85Å; V296-F307 HydrophobicContact CG1-CE1 3.96Å; V296-F307 HydrophobicContact CG1-CZ 4.38Å; V296-F307 HydrophobicContact CG2-CE1 4.02Å; V296-F307 HydrophobicContact CG2-CE2 4.07Å; V296-F307 HydrophobicContact CG2-CZ 3.62Å; V296-F307 PolarHBondContact N-O 2.89Å; V296-F307 PolarHBondContact O-N 2.96Å
297	D	96.5	Very high	96.6	Very high	39 Å²	39	38.1 Å²	38.1	21%	0.209	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	148.5	178.8	-58.6	-61.9	0	0	0	111.9	P198 D199 R200 T299	P198-D297 WeakPolarHBondContact CB-O 3.46Å; D199-D297 PolarHBondContact N-O 3.06Å; D199-D297 VanDerWaalsContact OD1-O 3.11Å; R200-D297 HydrophobicContact CB-CB 4.26Å; R200-D297 IonicContact CZ-OD2 2.91Å; R200-D297 VanDerWaalsContact CZ-OD2 3.27Å; R200-D297 PolarHBondContact N-O 2.98Å; R200-D297 IonicContact NE-OD2 2.81Å; R200-D297 PolarHBondContact NE-OD2 3.36Å; R200-D297 IonicContact NH2-OD2 3.82Å; R200-D297 PolarHBondContact NH2-OD2 2.89Å; R200-D297 PolarHBondContact O-N 2.67Å; D297-T299 HydrophobicContact CB-CG2 4.16Å
298	F	97.4	Very high	96.6	Very high	3 Å²	3	39.1 Å²	39.1	1%	0.013	21%	0.211	C	C	.	.			trans	-113.5	78.2	172.8	-60	-99.3	0	0	0	109	T61 Y62 A65 F197 P198 D199 V296 K300 C301 I305	T61-F298 HydrophobicContact CG2-CD2 4.2Å; T61-F298 HydrophobicContact CG2-CE2 3.66Å; Y62-F298 AromaticContact CD1-CE1 3.96Å; Y62-F298 HydrophobicContact CD1-CE1 3.96Å; Y62-F298 AromaticContact CD1-CZ 3.97Å; Y62-F298 HydrophobicContact CD1-CZ 3.97Å; Y62-F298 HydrophobicContact CD2-CZ 4.14Å; Y62-F298 AromaticContact CE1-CE1 3.99Å; Y62-F298 HydrophobicContact CE1-CE1 3.99Å; Y62-F298 AromaticContact CE1-CZ 3.99Å; Y62-F298 HydrophobicContact CE1-CZ 3.99Å; Y62-F298 HydrophobicContact CE2-CZ 4.14Å; Y62-F298 HydrophobicContact CG-CE1 4.44Å; Y62-F298 HydrophobicContact CG-CZ 4.06Å; A65-F298 HydrophobicContact CB-CB 4.23Å; A65-F298 HydrophobicContact CB-CD1 3.67Å; A65-F298 HydrophobicContact CB-CD2 4.23Å; A65-F298 HydrophobicContact CB-CE1 3.99Å; A65-F298 HydrophobicContact CB-CG 3.78Å; A65-F298 HydrophobicContact CB-CZ 4.42Å; F197-F298 HydrophobicContact CB-CD1 4.07Å; F197-F298 HydrophobicContact CB-CE1 4.1Å; F197-F298 AromaticContact CD1-CD1 3.52Å; F197-F298 HydrophobicContact CD1-CD1 3.52Å; F197-F298 HydrophobicContact CD1-CE1 4.11Å; F197-F298 HydrophobicContact CE1-CD1 4.29Å; F197-F298 HydrophobicContact CG-CD1 4.09Å; P198-F298 HydrophobicContact CB-CD1 4.04Å; P198-F298 HydrophobicContact CB-CD2 4.48Å; P198-F298 HydrophobicContact CB-CE1 3.82Å; P198-F298 HydrophobicContact CB-CE2 4.24Å; P198-F298 HydrophobicContact CB-CG 4.38Å; P198-F298 HydrophobicContact CB-CZ 3.93Å; D199-F298 WeakPolarHBondContact OD1-CA 3.36Å; V296-F298 HydrophobicContact CG1-CE2 4.24Å; F298-K300 PolarHBondContact O-N 2.94Å; F298-C301 VanDerWaalsContact CB-SG 3.53Å; F298-C301 VanDerWaalsContact O-CB 3.3Å; F298-C301 WeakPolarHBondContact O-CB 3.48Å; F298-C301 PolarHBondContact O-N 3.06Å; F298-C301 VanDerWaalsContact O-N 3.08Å; F298-C301 PolarHBondContact O-SG 2.67Å; F298-C301 VanDerWaalsContact O-SG 3.42Å; F298-I305 HydrophobicContact CB-CB 4.44Å; F298-I305 HydrophobicContact CD2-CG2 4.01Å; F298-I305 WeakPolarHBondContact CD2-O 3.45Å; F298-I305 PolarHBondContact N-O 3Å
299	T	95.7	Very high	96.6	Very high	76 Å²	76	38.6 Å²	38.6	47%	0.466	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-19.4	-166.9	79.6	0	0	0	0	114.1	D199 R200 D297 C301	D199-T299 VanDerWaalsContact CG-OG1 3.3Å; D199-T299 WeakPolarHBondContact OD1-CG2 3.2Å; D199-T299 PolarHBondContact OD1-N 2.84Å; D199-T299 PolarHBondContact OD1-OG1 3Å; D199-T299 PolarHBondContact OD2-OG1 2.87Å; R200-T299 HydrophobicContact CB-CG2 4.17Å; D297-T299 HydrophobicContact CB-CG2 4.16Å; T299-C301 VanDerWaalsContact C-N 3.27Å; T299-C301 PolarHBondContact O-N 3.41Å
300	K	95	Very high	96.6	Very high	94 Å²	94	38.8 Å²	38.8	41%	0.409	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-11.2	174.1	-56.7	-54.5	177.8	-172.6	0	114.1	L72 M195 F197 Y264 F298	L72-K300 HydrophobicContact CD1-CB 4.4Å; L72-K300 WeakPolarHBondContact CD1-O 3.35Å; M195-K300 HydrophobicContact CB-CG 4.28Å; M195-K300 HydrophobicContact CG-CG 4.05Å; M195-K300 HydrophobicContact SD-CB 4.25Å; M195-K300 HydrophobicContact SD-CG 4.38Å; F197-K300 HydrophobicContact CE2-CB 4.47Å; F197-K300 HydrophobicContact CZ-CB 4.42Å; Y264-K300 VanDerWaalsContact CZ-CE 3.46Å; Y264-K300 WeakPolarHBondContact OH-CE 3.24Å; Y264-K300 WeakPolarHBondContact OH-CG 3.35Å; F298-K300 PolarHBondContact O-N 2.94Å
301	C	95.6	Very high	96.6	Very high	13 Å²	13	39.3 Å²	39.3	9%	0.088	21%	0.213	C	C	.	.	S	Bend	trans	-68	149.3	178.3	-65.7	0	0	0	0	111.6	N69 F298 T299 K303 I305	N69-C301 PolarHBondContact ND2-SG 2.84Å; N69-C301 WeakPolarHBondContact OD1-CA 3.49Å; F298-C301 VanDerWaalsContact CB-SG 3.53Å; F298-C301 VanDerWaalsContact O-CB 3.3Å; F298-C301 WeakPolarHBondContact O-CB 3.48Å; F298-C301 PolarHBondContact O-N 3.06Å; F298-C301 VanDerWaalsContact O-N 3.08Å; F298-C301 PolarHBondContact O-SG 2.67Å; F298-C301 VanDerWaalsContact O-SG 3.42Å; T299-C301 VanDerWaalsContact C-N 3.27Å; T299-C301 PolarHBondContact O-N 3.41Å; C301-K303 WeakPolarHBondContact CB-O 3.45Å; C301-K303 PolarHBondContact O-N 2.94Å; C301-I305 HydrophobicContact CB-CB 4.36Å; C301-I305 HydrophobicContact CB-CD1 4.06Å; C301-I305 HydrophobicContact CB-CG1 4.29Å
302	H	93.6	Very high	96.5	Very high	157 Å²	157	43.9 Å²	43.9	73%	0.727	24%	0.238	S	C	*	.	S	Bend	trans	-64.9	-26.9	-179.7	-169.2	69.6	0	0	0	113.2	N69	N69-H302 PolarHBondContact OD1-N 2.64Å
303	K	94.2	Very high	96.4	Very high	154 Å²	154	49.1 Å²	49.1	67%	0.67	26%	0.261	S	S	*	.	S	Bend	trans	-120.9	151.1	167.4	-69.5	-172.6	176.7	-176.5	0	108.6	C301 I305	C301-K303 WeakPolarHBondContact CB-O 3.45Å; C301-K303 PolarHBondContact O-N 2.94Å; K303-I305 PolarHBondContact O-N 2.83Å; K303-I305 VanDerWaalsContact O-N 3.08Å
304	P	92.8	Very high	96.4	Very high	135 Å²	135	58.2 Å²	58.2	88%	0.877	30%	0.295	S	S	*	.			trans	-52.6	118.7	170.6	-24.9	34.3	0	0	0	110.1
305	I	96.9	Very high	96.4	Very high	27 Å²	27	63.9 Å²	63.9	14%	0.138	32%	0.317	C	S	.	.			trans	-125.7	135.1	173.6	-67.8	175.2	0	0	0	106.1	T61 A65 F298 C301 K303	T61-I305 HydrophobicContact CG2-CG2 3.64Å; A65-I305 HydrophobicContact CB-CG2 3.99Å; F298-I305 HydrophobicContact CB-CB 4.44Å; F298-I305 HydrophobicContact CD2-CG2 4.01Å; F298-I305 WeakPolarHBondContact CD2-O 3.45Å; F298-I305 PolarHBondContact N-O 3Å; C301-I305 HydrophobicContact CB-CB 4.36Å; C301-I305 HydrophobicContact CB-CD1 4.06Å; C301-I305 HydrophobicContact CB-CG1 4.29Å; K303-I305 PolarHBondContact O-N 2.83Å; K303-I305 VanDerWaalsContact O-N 3.08Å
306	G	97	Very high	96.4	Very high	32 Å²	32	62.7 Å²	62.7	33%	0.33	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	178.2	174.2	-176.8	0	0	0	0	0	110.4	V296	V296-G306 CarbonylContact O-C 3.57Å; V296-G306 WeakPolarHBondContact O-CA 3.2Å
307	F	97.8	Very high	96.4	Very high	17 Å²	17	63 Å²	63	8%	0.075	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	168	174.1	67.8	-91	0	0	0	110.3	V57 T61 M169 F294 T295 V296 T309 W318	V57-F307 HydrophobicContact CG1-CB 3.74Å; V57-F307 HydrophobicContact CG1-CD2 4.33Å; V57-F307 HydrophobicContact CG1-CG 4.19Å; T61-F307 HydrophobicContact CG2-CD1 3.94Å; M169-F307 HydrophobicContact CE-CE1 4.29Å; M169-F307 HydrophobicContact CE-CZ 3.78Å; F294-F307 HydrophobicContact CE2-CE2 4.06Å; F294-F307 HydrophobicContact CE2-CZ 4.44Å; T295-F307 WeakPolarHBondContact CA-O 3.36Å; V296-F307 HydrophobicContact CB-CD1 4.12Å; V296-F307 HydrophobicContact CB-CE1 3.7Å; V296-F307 HydrophobicContact CB-CE2 4.39Å; V296-F307 HydrophobicContact CB-CZ 3.85Å; V296-F307 HydrophobicContact CG1-CE1 3.96Å; V296-F307 HydrophobicContact CG1-CZ 4.38Å; V296-F307 HydrophobicContact CG2-CE1 4.02Å; V296-F307 HydrophobicContact CG2-CE2 4.07Å; V296-F307 HydrophobicContact CG2-CZ 3.62Å; V296-F307 PolarHBondContact N-O 2.89Å; V296-F307 PolarHBondContact O-N 2.96Å; F307-T309 HydrophobicContact CD2-CG2 4.4Å; F307-T309 HydrophobicContact CE2-CG2 4.1Å; F307-W318 HydrophobicContact CD2-CZ3 4.43Å; F307-W318 HydrophobicContact CE2-CE3 4.05Å; F307-W318 AromaticContact CE2-CH2 3.94Å; F307-W318 HydrophobicContact CE2-CH2 3.94Å; F307-W318 AromaticContact CE2-CZ3 3.37Å; F307-W318 HydrophobicContact CE2-CZ3 3.37Å; F307-W318 AromaticContact CZ-CH2 3.59Å; F307-W318 HydrophobicContact CZ-CH2 3.59Å; F307-W318 AromaticContact CZ-CZ3 3.52Å; F307-W318 HydrophobicContact CZ-CZ3 3.52Å
308	S	97.6	Very high	96.4	Very high	21 Å²	21	61.3 Å²	61.3	15%	0.147	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	142.1	178.3	172.4	0	0	0	0	108.9	F294 A310	F294-S308 WeakPolarHBondContact O-CA 3.24Å; S308-A310 VanDerWaalsContact C-N 3.33Å; S308-A310 WeakPolarHBondContact OG-CB 3.38Å; S308-A310 PolarHBondContact OG-N 2.76Å
309	T	98.1	Very high	96.4	Very high	1 Å²	1	63.6 Å²	63.6	1%	0.006	31%	0.312	C	S	.	.			trans	-96.7	18.6	174.2	70.2	0	0	0	0	111.8	F294 F307 T316 W318 Q320	F294-T309 HydrophobicContact CD1-CG2 4.25Å; F294-T309 HydrophobicContact CD2-CG2 4.09Å; F294-T309 HydrophobicContact CE1-CG2 3.88Å; F294-T309 HydrophobicContact CE2-CG2 3.7Å; F294-T309 HydrophobicContact CG-CG2 4.35Å; F294-T309 HydrophobicContact CZ-CG2 3.59Å; F294-T309 PolarHBondContact N-OG1 3.29Å; F294-T309 PolarHBondContact O-N 3.4Å; F294-T309 PolarHBondContact O-OG1 3.3Å; F307-T309 HydrophobicContact CD2-CG2 4.4Å; F307-T309 HydrophobicContact CE2-CG2 4.1Å; T309-T316 HydrophobicContact CG2-CG2 4.29Å; T309-T316 WeakPolarHBondContact CG2-OG1 3.26Å; T309-W318 HydrophobicContact CG2-CB 4.28Å; T309-W318 HydrophobicContact CG2-CD2 4.5Å; T309-W318 HydrophobicContact CG2-CE3 3.93Å; T309-Q320 WeakPolarHBondContact O-CG 3.36Å; T309-Q320 PolarHBondContact O-NE2 2.94Å
310	A	97.9	Very high	96.5	Very high	4 Å²	4	60.5 Å²	60.5	3%	0.033	29%	0.292	C	S	.	.			trans	-65.3	153.1	-178.5	0	0	0	0	0	112.3	F293 S308 D312 K313	F293-A310 HydrophobicContact CD1-CB 4.38Å; F293-A310 HydrophobicContact CD2-CB 3.43Å; F293-A310 VanDerWaalsContact CD2-CB 3.43Å; F293-A310 HydrophobicContact CE1-CB 4.41Å; F293-A310 HydrophobicContact CE2-CB 3.47Å; F293-A310 VanDerWaalsContact CE2-CB 3.47Å; F293-A310 HydrophobicContact CG-CB 3.91Å; F293-A310 HydrophobicContact CZ-CB 3.98Å; S308-A310 VanDerWaalsContact C-N 3.33Å; S308-A310 WeakPolarHBondContact OG-CB 3.38Å; S308-A310 PolarHBondContact OG-N 2.76Å; A310-D312 WeakPolarHBondContact CB-OD1 3.4Å; A310-D312 PolarHBondContact O-N 3.44Å; A310-D312 VanDerWaalsContact O-N 3.14Å; A310-K313 HydrophobicContact CB-CG 3.97Å; A310-K313 WeakPolarHBondContact O-CB 3.35Å; A310-K313 PolarHBondContact O-N 3.36Å
311	P	97.6	Very high	96.6	Very high	10 Å²	10	56.1 Å²	56.1	7%	0.065	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-34.1	177.5	-27	33.9	0	0	0	114	V245 P247 V250 K313 Q320	V245-P311 HydrophobicContact CB-CB 4.2Å; V245-P311 HydrophobicContact CB-CG 4.1Å; V245-P311 HydrophobicContact CG1-CB 4.18Å; V245-P311 HydrophobicContact CG1-CG 4.12Å; P247-P311 WeakPolarHBondContact CD-O 3.33Å; P247-P311 VanDerWaalsContact CG-O 3.28Å; P247-P311 WeakPolarHBondContact CG-O 3.49Å; V250-P311 HydrophobicContact CG2-CB 4.11Å; V250-P311 HydrophobicContact CG2-CG 4.13Å; P311-K313 PolarHBondContact O-N 2.91Å; P311-Q320 HydrophobicContact CG-CG 4.04Å
312	D	96.6	Very high	96.7	Very high	97 Å²	97	55.7 Å²	55.7	52%	0.519	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	6.4	-179.5	76.4	-51.5	0	0	0	114.1	P247 A310	P247-D312 HydrophobicContact CB-CB 4.28Å; A310-D312 WeakPolarHBondContact CB-OD1 3.4Å; A310-D312 PolarHBondContact O-N 3.44Å; A310-D312 VanDerWaalsContact O-N 3.14Å
313	K	97	Very high	96.9	Very high	110 Å²	110	48.2 Å²	48.2	48%	0.478	24%	0.235	S	C	.	.	S	Bend	trans	-109.8	171.8	-178.5	-59.3	-63.7	-179.7	-120.5	0	111.2	A310 P311	A310-K313 HydrophobicContact CB-CG 3.97Å; A310-K313 WeakPolarHBondContact O-CB 3.35Å; A310-K313 PolarHBondContact O-N 3.36Å; P311-K313 PolarHBondContact O-N 2.91Å
314	R	96	Very high	97.1	Very high	203 Å²	203	41.1 Å²	41.1	77%	0.766	20%	0.204	S	C	*	.			trans	-63.1	145.6	175	-74.5	-172	175.8	-167.2	-2	109.5	V57	V57-R314 HydrophobicContact CG2-CB 3.7Å
315	Y	97.5	Very high	97.3	Very high	122 Å²	122	34.7 Å²	34.7	48%	0.478	16%	0.163	S	C	.	.			trans	-49.5	139	176.5	173.5	-93.4	0	0	0	112.4	V244 K319	V244-Y315 HydrophobicContact CG2-CD2 3.8Å; V244-Y315 HydrophobicContact CG2-CE2 3.8Å; Y315-K319 HydrophobicContact CE2-CG 4.1Å
316	T	97.8	Very high	97.1	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.006	17%	0.172	C	C	.	.			trans	-134.1	152.8	168.9	62.8	0	0	0	0	108.1	D55 V57 T309 W318 K319	D55-T316 VanDerWaalsContact OD2-CA 3.3Å; D55-T316 WeakPolarHBondContact OD2-CA 3.46Å; D55-T316 WeakPolarHBondContact OD2-CB 3.3Å; V57-T316 HydrophobicContact CB-CG2 3.95Å; V57-T316 HydrophobicContact CG1-CG2 3.8Å; T309-T316 HydrophobicContact CG2-CG2 4.29Å; T309-T316 WeakPolarHBondContact CG2-OG1 3.26Å; T316-W318 PolarHBondContact O-N 3.04Å; T316-W318 VanDerWaalsContact O-N 3.17Å; T316-K319 PolarHBondContact O-N 3.29Å
317	H	95.5	Very high	97	Very high	7 Å²	7	39.9 Å²	39.9	3%	0.032	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-25.7	-178.1	76	-76.3	0	0	0	113.6	E51 D55 K319	E51-H317 HydrophobicContact CG-CB 3.94Å; D55-H317 HydrophobicContact CB-CB 4.48Å; D55-H317 IonicContact OD2-CE1 3.93Å; D55-H317 IonicContact OD2-CG 3.82Å; D55-H317 PolarHBondContact OD2-N 3.46Å; D55-H317 IonicContact OD2-ND1 3.51Å; D55-H317 PolarHBondContact OD2-ND1 3.1Å; H317-K319 PolarHBondContact O-N 2.83Å
318	W	96.9	Very high	96.8	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.015	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-19.9	173.1	-63.4	-74.9	0	0	0	114.5	R58 E167 M169 Y171 F294 F307 T309 T316 Q320	R58-W318 HydrophobicContact CB-CH2 4.11Å; R58-W318 HydrophobicContact CB-CZ3 3.95Å; R58-W318 HydrophobicContact CG-CH2 3.58Å; R58-W318 HydrophobicContact CG-CZ3 3.96Å; E167-W318 VanDerWaalsContact OE1-CZ2 3.31Å; E167-W318 WeakPolarHBondContact OE1-CZ2 3.42Å; M169-W318 HydrophobicContact CB-CZ2 3.92Å; M169-W318 HydrophobicContact CE-CH2 3.71Å; M169-W318 HydrophobicContact CE-CZ2 3.76Å; M169-W318 PolarHBondContact O-NE1 2.76Å; Y171-W318 HydrophobicContact CD1-CB 4.5Å; F294-W318 HydrophobicContact CE1-CB 3.97Å; F294-W318 HydrophobicContact CE1-CD2 4.29Å; F294-W318 AromaticContact CE1-CG 3.86Å; F294-W318 HydrophobicContact CE1-CG 3.86Å; F294-W318 HydrophobicContact CE2-CD2 4.46Å; F294-W318 HydrophobicContact CZ-CB 4.1Å; F294-W318 AromaticContact CZ-CD1 3.95Å; F294-W318 AromaticContact CZ-CD2 3.54Å; F294-W318 HydrophobicContact CZ-CD2 3.54Å; F294-W318 AromaticContact CZ-CE2 3.83Å; F294-W318 AromaticContact CZ-CE3 3.95Å; F294-W318 HydrophobicContact CZ-CE3 3.95Å; F294-W318 AromaticContact CZ-CG 3.6Å; F294-W318 HydrophobicContact CZ-CG 3.6Å; F294-W318 HydrophobicContact CZ-CZ2 4.42Å; F307-W318 HydrophobicContact CD2-CZ3 4.43Å; F307-W318 HydrophobicContact CE2-CE3 4.05Å; F307-W318 AromaticContact CE2-CH2 3.94Å; F307-W318 HydrophobicContact CE2-CH2 3.94Å; F307-W318 AromaticContact CE2-CZ3 3.37Å; F307-W318 HydrophobicContact CE2-CZ3 3.37Å; F307-W318 AromaticContact CZ-CH2 3.59Å; F307-W318 HydrophobicContact CZ-CH2 3.59Å; F307-W318 AromaticContact CZ-CZ3 3.52Å; F307-W318 HydrophobicContact CZ-CZ3 3.52Å; T309-W318 HydrophobicContact CG2-CB 4.28Å; T309-W318 HydrophobicContact CG2-CD2 4.5Å; T309-W318 HydrophobicContact CG2-CE3 3.93Å; T316-W318 PolarHBondContact O-N 3.04Å; T316-W318 VanDerWaalsContact O-N 3.17Å; W318-Q320 PolarHBondContact O-N 3.33Å
319	K	97.4	Very high	96.8	Very high	51 Å²	51	40.7 Å²	40.7	22%	0.222	19%	0.189	C	C	.	.			trans	45.8	-132.4	-172.5	-46.8	179.5	-177.1	178.7	0	111	V242 D243 V244 Y315 T316 H317	V242-K319 HydrophobicContact CG1-CB 4.37Å; V242-K319 HydrophobicContact CG1-CD 4.4Å; V242-K319 PolarHBondContact O-NZ 3.25Å; D243-K319 VanDerWaalsContact CA-CD 3.49Å; D243-K319 WeakPolarHBondContact O-CB 3.44Å; D243-K319 IonicContact OD1-NZ 3.99Å; D243-K319 PolarHBondContact OD1-NZ 3Å; V244-K319 HydrophobicContact CG2-CB 4.16Å; V244-K319 HydrophobicContact CG2-CD 3.83Å; V244-K319 HydrophobicContact CG2-CG 3.84Å; Y315-K319 HydrophobicContact CE2-CG 4.1Å; T316-K319 PolarHBondContact O-N 3.29Å; H317-K319 PolarHBondContact O-N 2.83Å
320	Q	98.1	Very high	96.8	Very high	11 Å²	11	42.7 Å²	42.7	5%	0.051	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	164.1	170.2	-61.9	80.2	48.5	0	0	110.5	V242 D243 V245 V291 F293 T309 P311 W318	V242-Q320 WeakPolarHBondContact CA-O 3.3Å; D243-Q320 PolarHBondContact N-O 3.23Å; D243-Q320 VanDerWaalsContact N-O 3.09Å; D243-Q320 PolarHBondContact O-N 3.29Å; D243-Q320 PolarHBondContact O-OE1 3.15Å; V245-Q320 HydrophobicContact CG2-CB 4.2Å; V291-Q320 HydrophobicContact CG1-CB 3.58Å; V291-Q320 HydrophobicContact CG1-CG 4.07Å; F293-Q320 HydrophobicContact CB-CG 4.13Å; T309-Q320 WeakPolarHBondContact O-CG 3.36Å; T309-Q320 PolarHBondContact O-NE2 2.94Å; P311-Q320 HydrophobicContact CG-CG 4.04Å; W318-Q320 PolarHBondContact O-N 3.33Å
321	T	97.8	Very high	96.8	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	123.5	176.1	-50.9	0	0	0	0	109.8	C172 P240 L241 V291 T292 F323 M376	C172-T321 HydrophobicContact CB-CG2 4.14Å; C172-T321 WeakPolarHBondContact CB-OG1 3.29Å; C172-T321 PolarHBondContact N-OG1 2.88Å; P240-T321 HydrophobicContact CB-CG2 3.61Å; L241-T321 CarbonylContact O-C 3.54Å; L241-T321 WeakPolarHBondContact O-CA 3.38Å; V291-T321 CarbonylContact C-O 3.52Å; V291-T321 WeakPolarHBondContact CA-O 3.48Å; T292-T321 PolarHBondContact N-O 3.16Å; T292-T321 PolarHBondContact O-N 3.31Å; T292-T321 VanDerWaalsContact O-N 3.07Å; T321-F323 HydrophobicContact CG2-CD2 4.48Å; T321-F323 HydrophobicContact CG2-CE2 3.66Å; T321-F323 HydrophobicContact CG2-CZ 3.77Å; T321-M376 HydrophobicContact CG2-CE 3.96Å; T321-M376 HydrophobicContact CG2-SD 4.38Å
322	V	97.9	Very high	96.8	Very high	5 Å²	5	44.7 Å²	44.7	3%	0.03	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	126.4	-171.4	-171.7	0	0	0	0	109.9	I208 P240 L241 V245 A289 V291 Y324	I208-V322 HydrophobicContact CD1-CG1 4.18Å; P240-V322 CarbonylContact C-O 3.48Å; P240-V322 WeakPolarHBondContact CA-O 3.08Å; L241-V322 HydrophobicContact CB-CB 4.31Å; L241-V322 PolarHBondContact N-O 3.29Å; L241-V322 PolarHBondContact O-N 2.84Å; V245-V322 HydrophobicContact CG2-CG2 3.86Å; A289-V322 HydrophobicContact CB-CG1 3.59Å; V291-V322 HydrophobicContact CG2-CG1 4.33Å; V291-V322 HydrophobicContact CG2-CG2 4.22Å; V322-Y324 HydrophobicContact CG1-CD2 4.16Å; V322-Y324 HydrophobicContact CG1-CE2 3.79Å
323	F	97.6	Very high	96.9	Very high	0 Å²	0	49 Å²	49	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	100.9	-179.9	-61	-96	0	0	0	108.5	P240 A289 M290 T292 T321 M341 F355 M357 Y374	P240-F323 HydrophobicContact CB-CD1 4.05Å; P240-F323 HydrophobicContact CB-CE1 3.79Å; P240-F323 HydrophobicContact CB-CZ 4.11Å; P240-F323 HydrophobicContact CG-CD1 3.85Å; P240-F323 HydrophobicContact CG-CE1 3.47Å; P240-F323 VanDerWaalsContact CG-CE1 3.47Å; P240-F323 HydrophobicContact CG-CZ 4.18Å; A289-F323 CarbonylContact C-O 3.52Å; A289-F323 VanDerWaalsContact CA-O 3.24Å; A289-F323 WeakPolarHBondContact CA-O 3.28Å; A289-F323 WeakPolarHBondContact CB-O 3.39Å; M290-F323 HydrophobicContact CB-CB 4.36Å; M290-F323 PolarHBondContact N-O 3.03Å; M290-F323 PolarHBondContact O-N 3.28Å; T292-F323 HydrophobicContact CG2-CD2 4.26Å; T292-F323 HydrophobicContact CG2-CE2 3.73Å; T321-F323 HydrophobicContact CG2-CD2 4.48Å; T321-F323 HydrophobicContact CG2-CE2 3.66Å; T321-F323 HydrophobicContact CG2-CZ 3.77Å; F323-M341 HydrophobicContact CE1-CE 4.11Å; F323-M341 HydrophobicContact CE2-CE 4.03Å; F323-M341 HydrophobicContact CZ-CE 3.67Å; F323-F355 HydrophobicContact CE1-CB 4.2Å; F323-F355 HydrophobicContact CE1-CD1 4.06Å; F323-F355 HydrophobicContact CE1-CD2 4.06Å; F323-F355 HydrophobicContact CE1-CE1 4.47Å; F323-F355 HydrophobicContact CE1-CE2 4.46Å; F323-F355 AromaticContact CE1-CG 3.84Å; F323-F355 HydrophobicContact CE1-CG 3.84Å; F323-F355 HydrophobicContact CZ-CD1 4.15Å; F323-F355 HydrophobicContact CZ-CE1 4.17Å; F323-F355 HydrophobicContact CZ-CG 4.35Å; F323-F355 HydrophobicContact CZ-CZ 4.39Å; F323-M357 HydrophobicContact CB-CE 4.05Å; F323-M357 HydrophobicContact CD1-CE 4.33Å; F323-M357 HydrophobicContact CD2-CE 4.36Å; F323-M357 HydrophobicContact CG-CE 4Å; F323-Y374 HydrophobicContact CB-CE1 4.26Å; F323-Y374 HydrophobicContact CB-CE2 4.29Å; F323-Y374 HydrophobicContact CD1-CD1 4.14Å; F323-Y374 AromaticContact CD1-CD2 3.73Å; F323-Y374 HydrophobicContact CD1-CD2 3.73Å; F323-Y374 HydrophobicContact CD1-CE1 4.47Å; F323-Y374 HydrophobicContact CD1-CE2 4.07Å; F323-Y374 AromaticContact CD1-CG 3.77Å; F323-Y374 HydrophobicContact CD1-CG 3.77Å; F323-Y374 HydrophobicContact CE1-CD2 4.43Å; F323-Y374 HydrophobicContact CE1-CG 4.4Å
324	Y	97.3	Very high	96.9	Very high	4 Å²	4	46.4 Å²	46.4	2%	0.016	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	137.6	179.9	-77.7	-80.1	0	0	0	111.5	D210 Y213 K214 I218 L241 A289 V322 Y374	D210-Y324 HydrophobicContact CB-CE1 4.31Å; D210-Y324 PolarHBondContact OD2-OH 3.26Å; Y213-Y324 WeakPolarHBondContact CD1-OH 3.27Å; K214-Y324 HydrophobicContact CB-CD1 3.98Å; K214-Y324 HydrophobicContact CB-CE1 3.55Å; K214-Y324 HydrophobicContact CD-CD1 3.86Å; K214-Y324 HydrophobicContact CD-CE1 4.29Å; K214-Y324 HydrophobicContact CG-CD1 3.76Å; K214-Y324 HydrophobicContact CG-CE1 3.88Å; I218-Y324 HydrophobicContact CD1-CD1 4.08Å; I218-Y324 HydrophobicContact CD1-CD2 3.39Å; I218-Y324 HydrophobicContact CD1-CE2 3.99Å; I218-Y324 HydrophobicContact CD1-CG 3.41Å; I218-Y324 VanDerWaalsContact CD1-CG 3.41Å; L241-Y324 HydrophobicContact CD1-CD2 3.78Å; L241-Y324 HydrophobicContact CD1-CE2 3.38Å; A289-Y324 HydrophobicContact CB-CD1 3.74Å; A289-Y324 HydrophobicContact CB-CE1 4.04Å; A289-Y324 HydrophobicContact CB-CG 4.16Å; V322-Y324 HydrophobicContact CG1-CD2 4.16Å; V322-Y324 HydrophobicContact CG1-CE2 3.79Å; Y324-Y374 WeakPolarHBondContact O-CE1 3.35Å; Y324-Y374 PolarHBondContact O-OH 3.04Å
325	L	96.7	Very high	97	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	151.2	167.4	-55	-179.3	0	0	0	108.9	K214 I287 Q288 M290 D327 I329 V359	K214-L325 WeakPolarHBondContact CE-O 3.38Å; K214-L325 PolarHBondContact NZ-O 2.66Å; I287-L325 HydrophobicContact CG2-CD1 4.03Å; Q288-L325 PolarHBondContact O-N 2.89Å; M290-L325 HydrophobicContact CE-CD1 4.38Å; L325-D327 VanDerWaalsContact CB-O 3.32Å; L325-D327 WeakPolarHBondContact CB-O 3.29Å; L325-I329 HydrophobicContact CD1-CD1 3.91Å; L325-I329 HydrophobicContact CD1-CG1 4.25Å; L325-V359 HydrophobicContact CD2-CG2 3.91Å
326	E	94.1	Very high	97.1	Very high	72 Å²	72	33.5 Å²	33.5	34%	0.336	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	-56.5	170.7	-172.5	61.3	-131.7	0	0	108.8	K214 R233 I237 E370	K214-E326 PolarHBondContact NZ-O 3.4Å; R233-E326 IonicContact CZ-OE1 2.9Å; R233-E326 IonicContact NH1-OE1 3.92Å; R233-E326 PolarHBondContact NH1-OE1 3.28Å; R233-E326 IonicContact NH1-OE2 2.75Å; R233-E326 PolarHBondContact NH1-OE2 3.09Å; R233-E326 IonicContact NH2-OE1 3.84Å; R233-E326 PolarHBondContact NH2-OE1 2.71Å; I237-E326 HydrophobicContact CD1-CB 4.48Å; I237-E326 WeakPolarHBondContact CD1-OE2 3.29Å; E326-E370 WeakPolarHBondContact CB-OE1 3.43Å; E326-E370 PolarHBondContact N-OE1 2.88Å
327	D	93.2	Very high	97.1	Very high	96 Å²	96	33.4 Å²	33.4	51%	0.513	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	142.2	-179.9	-72	-47.3	0	0	0	112.1	L325 L368	L325-D327 VanDerWaalsContact CB-O 3.32Å; L325-D327 WeakPolarHBondContact CB-O 3.29Å; D327-L368 HydrophobicContact CB-CD1 3.85Å
328	S	95	Very high	97.2	Very high	56 Å²	56	36.4 Å²	36.4	39%	0.392	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	137.3	174.1	67.5	0	0	0	0	111.2	I287 Q288	I287-S328 WeakPolarHBondContact O-CA 3.18Å; Q288-S328 VanDerWaalsContact NE2-CB 3.32Å
329	I	97.7	Very high	97.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	128.1	174.1	-55.3	168.1	0	0	0	109.3	F286 I287 L325 I331 V337 V359 F361 L368	F286-I329 CarbonylContact C-O 3.47Å; F286-I329 VanDerWaalsContact CA-O 3.24Å; F286-I329 WeakPolarHBondContact CA-O 3.36Å; I287-I329 HydrophobicContact CB-CB 4.13Å; I287-I329 HydrophobicContact CB-CD1 4.49Å; I287-I329 HydrophobicContact CG2-CD1 4.43Å; I287-I329 PolarHBondContact N-O 2.8Å; I287-I329 PolarHBondContact O-N 2.81Å; L325-I329 HydrophobicContact CD1-CD1 3.91Å; L325-I329 HydrophobicContact CD1-CG1 4.25Å; I329-I331 HydrophobicContact CG2-CB 4.27Å; I329-V337 HydrophobicContact CD1-CG1 4.37Å; I329-V337 HydrophobicContact CD1-CG2 4.04Å; I329-V359 HydrophobicContact CD1-CG1 4.03Å; I329-F361 HydrophobicContact CD1-CB 4.24Å; I329-F361 HydrophobicContact CG2-CB 4.38Å; I329-F361 HydrophobicContact CG2-CD1 3.28Å; I329-F361 HydrophobicContact CG2-CD2 4.09Å; I329-F361 HydrophobicContact CG2-CE1 3.35Å; I329-F361 HydrophobicContact CG2-CE2 4.16Å; I329-F361 HydrophobicContact CG2-CG 3.64Å; I329-F361 HydrophobicContact CG2-CZ 3.79Å; I329-L368 HydrophobicContact CD1-CD2 3.76Å; I329-L368 HydrophobicContact CG1-CB 4.46Å; I329-L368 HydrophobicContact CG1-CD2 3.43Å; I329-L368 VanDerWaalsContact CG1-CD2 3.43Å
330	T	98.1	Very high	97.2	Very high	43 Å²	43	36.4 Å²	36.4	26%	0.264	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	109	169	-53.9	0	0	0	0	109	F286 F365 C366	F286-T330 HydrophobicContact CD1-CG2 4.32Å; F286-T330 HydrophobicContact CE1-CG2 3.85Å; F286-T330 VanDerWaalsContact CE1-OG1 3.3Å; F286-T330 WeakPolarHBondContact CE1-OG1 3.33Å; F286-T330 HydrophobicContact CZ-CG2 4.48Å; T330-F365 HydrophobicContact CG2-CB 4.1Å; T330-F365 HydrophobicContact CG2-CD2 4Å; T330-F365 HydrophobicContact CG2-CG 4.4Å; T330-C366 PolarHBondContact N-SG 3.23Å
331	I	98.1	Very high	97.1	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	140.6	-169.6	-165.2	161.7	0	0	0	112.6	V251 A281 N284 D285 I287 I329 E335 V337 F361	V251-I331 HydrophobicContact CG1-CG2 4.05Å; A281-I331 HydrophobicContact CB-CD1 3.72Å; A281-I331 HydrophobicContact CB-CG1 3.72Å; A281-I331 HydrophobicContact CB-CG2 4.09Å; N284-I331 WeakPolarHBondContact CA-O 3.41Å; D285-I331 PolarHBondContact N-O 3.37Å; D285-I331 WeakPolarHBondContact O-CG2 3.43Å; D285-I331 PolarHBondContact O-N 3.39Å; D285-I331 VanDerWaalsContact O-O 3.11Å; I287-I331 HydrophobicContact CD1-CB 4.46Å; I287-I331 HydrophobicContact CD1-CD1 3.87Å; I287-I331 HydrophobicContact CD1-CG2 3.94Å; I287-I331 HydrophobicContact CG1-CG2 4.01Å; I329-I331 HydrophobicContact CG2-CB 4.27Å; I331-E335 HydrophobicContact CD1-CB 4.22Å; I331-E335 HydrophobicContact CG1-CB 3.82Å; I331-V337 HydrophobicContact CD1-CG2 3.79Å; I331-F361 HydrophobicContact CB-CE2 4.39Å; I331-F361 HydrophobicContact CB-CZ 4.18Å; I331-F361 HydrophobicContact CD1-CD2 4.2Å; I331-F361 HydrophobicContact CD1-CE2 3.55Å; I331-F361 HydrophobicContact CD1-CZ 4.2Å; I331-F361 HydrophobicContact CG1-CE2 3.7Å; I331-F361 HydrophobicContact CG1-CZ 3.88Å
332	K	97.7	Very high	97	Very high	54 Å²	54	36.9 Å²	36.9	24%	0.235	21%	0.205	C	C	.	.			trans	-96.9	152	170	-65.1	-178.6	-175.3	172.4	0	111.3	A281 N284 G334 E335 D364 F365	A281-K332 WeakPolarHBondContact CB-O 3.06Å; N284-K332 WeakPolarHBondContact OD1-CA 3.41Å; K332-G334 PolarHBondContact O-N 2.76Å; K332-E335 HydrophobicContact CB-CG 4.08Å; K332-E335 PolarHBondContact N-OE2 2.88Å; K332-E335 WeakPolarHBondContact O-CB 3.49Å; K332-E335 PolarHBondContact O-N 2.85Å; K332-D364 HydrophobicContact CD-CB 4.2Å; K332-D364 IonicContact NZ-OD2 2.8Å; K332-D364 PolarHBondContact NZ-OD2 2.95Å; K332-F365 HydrophobicContact CD-CD2 4.4Å; K332-F365 HydrophobicContact CD-CE2 3.92Å; K332-F365 HydrophobicContact CD-CZ 4.5Å; K332-F365 HydrophobicContact CG-CD2 4.06Å; K332-F365 HydrophobicContact CG-CE2 3.75Å
333	R	97.8	Very high	96.9	Very high	188 Å²	188	36.8 Å²	36.8	71%	0.709	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.7	128.4	171.2	-179	175.2	-176.2	-175.5	2.4	111	N282 N284 E335	N282-R333 VanDerWaalsContact O-CD 3.3Å; N282-R333 WeakPolarHBondContact O-CD 3.37Å; N282-R333 WeakPolarHBondContact O-CG 3.36Å; N282-R333 PolarHBondContact O-NE 3.49Å; N284-R333 WeakPolarHBondContact OD1-CB 3.27Å; N284-R333 PolarHBondContact OD1-N 3Å; R333-E335 VanDerWaalsContact C-N 3.33Å
334	G	97.8	Very high	96.7	Very high	55 Å²	55	42 Å²	42	57%	0.567	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	90	-14.6	179.2	0	0	0	0	0	114.7	A281 K332	A281-G334 PolarHBondContact O-N 3.09Å; K332-G334 PolarHBondContact O-N 2.76Å
335	E	98.1	Very high	96.3	Very high	30 Å²	30	44.4 Å²	44.4	14%	0.14	24%	0.24	C	C	.	.			trans	-71.2	158.8	169.1	-63.9	179.7	152.5	0	0	110.5	V280 A281 I331 K332 R333 F361 G363 D364	V280-E335 WeakPolarHBondContact CA-O 3.36Å; A281-E335 PolarHBondContact N-O 3.37Å; I331-E335 HydrophobicContact CD1-CB 4.22Å; I331-E335 HydrophobicContact CG1-CB 3.82Å; K332-E335 HydrophobicContact CB-CG 4.08Å; K332-E335 PolarHBondContact N-OE2 2.88Å; K332-E335 WeakPolarHBondContact O-CB 3.49Å; K332-E335 PolarHBondContact O-N 2.85Å; R333-E335 VanDerWaalsContact C-N 3.33Å; E335-F361 HydrophobicContact CB-CE2 4.07Å; E335-F361 WeakPolarHBondContact OE2-CZ 3.17Å; E335-G363 WeakPolarHBondContact OE1-CA 3.44Å; E335-D364 PolarHBondContact OE1-N 2.9Å
336	A	97.9	Very high	96	Very high	23 Å²	23	45.7 Å²	45.7	19%	0.19	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	133	-173.2	0	0	0	0	0	112.7	K278 L279 V280	K278-A336 HydrophobicContact CG-CB 4.35Å; L279-A336 CarbonylContact O-C 3.56Å; L279-A336 WeakPolarHBondContact O-CA 3.37Å; V280-A336 HydrophobicContact CG2-CB 4.13Å
337	V	98	Very high	95.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	131.6	166.1	-176.4	0	0	0	0	108.2	K278 L279 I287 M290 I329 I331 V359 F361	K278-V337 WeakPolarHBondContact CA-O 3.46Å; L279-V337 PolarHBondContact N-O 2.93Å; L279-V337 PolarHBondContact O-N 3.35Å; I287-V337 HydrophobicContact CD1-CG2 3.78Å; M290-V337 HydrophobicContact CE-CG1 3.97Å; I329-V337 HydrophobicContact CD1-CG1 4.37Å; I329-V337 HydrophobicContact CD1-CG2 4.04Å; I331-V337 HydrophobicContact CD1-CG2 3.79Å; V337-V359 HydrophobicContact CG1-CG1 3.49Å; V337-V359 VanDerWaalsContact CG1-CG1 3.49Å; V337-F361 HydrophobicContact CG2-CB 4.41Å; V337-F361 HydrophobicContact CG2-CD2 3.74Å; V337-F361 HydrophobicContact CG2-CE2 4.42Å; V337-F361 HydrophobicContact CG2-CG 4.35Å
338	N	98.1	Very high	95.3	Very high	70 Å²	70	55 Å²	55	37%	0.374	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	154.5	173.7	-54.3	-85.3	0	0	0	108.8	F277 K278 S360	F277-N338 WeakPolarHBondContact O-CA 3.33Å; K278-N338 WeakPolarHBondContact CG-OD1 3.19Å; N338-S360 PolarHBondContact N-O 3.01Å; N338-S360 PolarHBondContact O-N 2.88Å; N338-S360 VanDerWaalsContact O-O 3.12Å
339	G	97.3	Very high	94.8	Very high	9 Å²	9	53.6 Å²	53.6	9%	0.093	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.1	-179.1	179.5	0	0	0	0	0	112.8	P276 F277 T358	P276-G339 CarbonylContact C-O 3.57Å; P276-G339 VanDerWaalsContact CA-O 3.25Å; P276-G339 WeakPolarHBondContact CA-O 3.41Å; F277-G339 PolarHBondContact N-O 2.93Å; F277-G339 PolarHBondContact O-N 3.09Å; G339-T358 CarbonylContact C-O 3.58Å; G339-T358 WeakPolarHBondContact CA-O 3.4Å
340	T	97.3	Very high	94.1	Very high	45 Å²	45	58.9 Å²	58.9	28%	0.276	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	140.1	171.3	64.8	0	0	0	0	109.6	S275 P276 M357 T358	S275-T340 CarbonylContact O-C 3.52Å; S275-T340 WeakPolarHBondContact O-CA 3.46Å; P276-T340 HydrophobicContact CB-CG2 4.41Å; T340-M357 CarbonylContact O-C 3.59Å; T340-M357 WeakPolarHBondContact O-CA 3.48Å; T340-T358 PolarHBondContact N-O 2.93Å; T340-T358 VanDerWaalsContact N-O 3.12Å; T340-T358 PolarHBondContact N-OG1 3.36Å; T340-T358 PolarHBondContact O-N 2.86Å; T340-T358 PolarHBondContact OG1-OG1 3.38Å
341	M	96.5	Very high	93.3	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	127.1	169.3	-173.3	168.9	-176.4	0	0	109	I205 L257 T274 S275 F277 T292 F323 V343 F355 E356 M357	I205-M341 HydrophobicContact CD1-SD 4.42Å; L257-M341 HydrophobicContact CD1-SD 3.44Å; L257-M341 WeakPolarHBondContact CD1-SD 3.35Å; L257-M341 HydrophobicContact CD2-CB 3.97Å; L257-M341 HydrophobicContact CD2-SD 4.44Å; T274-M341 CarbonylContact C-O 3.58Å; T274-M341 WeakPolarHBondContact CA-O 3.43Å; S275-M341 PolarHBondContact N-O 3.48Å; S275-M341 PolarHBondContact O-N 2.86Å; F277-M341 HydrophobicContact CD1-CB 4.39Å; F277-M341 HydrophobicContact CE1-CB 4.3Å; T292-M341 HydrophobicContact CG2-CE 4.08Å; T292-M341 HydrophobicContact CG2-SD 4.12Å; F323-M341 HydrophobicContact CE1-CE 4.11Å; F323-M341 HydrophobicContact CE2-CE 4.03Å; F323-M341 HydrophobicContact CZ-CE 3.67Å; M341-V343 HydrophobicContact CE-CG2 4.37Å; M341-V343 HydrophobicContact CG-CG2 4.43Å; M341-F355 HydrophobicContact CE-CD1 3.33Å; M341-F355 HydrophobicContact CE-CE1 3.72Å; M341-F355 HydrophobicContact CE-CG 4.33Å; M341-E356 CarbonylContact C-O 3.55Å; M341-E356 WeakPolarHBondContact CA-O 3.33Å; M341-M357 HydrophobicContact CE-CE 4.34Å; M341-M357 HydrophobicContact CG-CE 4.4Å; M341-M357 HydrophobicContact SD-CE 3.98Å
342	S	95.5	Very high	93	Very high	22 Å²	22	59.5 Å²	59.5	15%	0.154	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	139.9	172.5	-52	0	0	0	0	109.6	W273 T274 F355 E356	W273-S342 CarbonylContact O-C 3.57Å; W273-S342 VanDerWaalsContact O-CA 3.26Å; W273-S342 WeakPolarHBondContact O-CA 3.48Å; T274-S342 WeakPolarHBondContact CB-OG 3.48Å; T274-S342 VanDerWaalsContact CG2-OG 3.26Å; T274-S342 WeakPolarHBondContact CG2-OG 3.43Å; T274-S342 WeakPolarHBondContact OG1-CB 3.18Å; T274-S342 PolarHBondContact OG1-OG 3.07Å; S342-F355 VanDerWaalsContact O-CA 3.3Å; S342-F355 WeakPolarHBondContact O-CA 3.32Å; S342-E356 PolarHBondContact N-O 3.14Å; S342-E356 PolarHBondContact O-N 3.29Å
343	V	94.3	Very high	92.7	Very high	3 Å²	3	57.4 Å²	57.4	2%	0.018	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	132.5	177.6	-171.7	0	0	0	0	108.4	T272 W273 M341 L353 F355	T272-V343 WeakPolarHBondContact CA-O 3.37Å; W273-V343 HydrophobicContact CD2-CG2 4.42Å; W273-V343 HydrophobicContact CH2-CG2 3.57Å; W273-V343 HydrophobicContact CZ2-CB 4.04Å; W273-V343 HydrophobicContact CZ2-CG2 3.37Å; W273-V343 HydrophobicContact CZ3-CG2 4.17Å; W273-V343 PolarHBondContact N-O 2.86Å; W273-V343 PolarHBondContact O-N 3.04Å; M341-V343 HydrophobicContact CE-CG2 4.37Å; M341-V343 HydrophobicContact CG-CG2 4.43Å; V343-L353 HydrophobicContact CG1-CD1 4.19Å; V343-L353 HydrophobicContact CG1-CD2 4.41Å; V343-F355 HydrophobicContact CB-CD1 4.36Å; V343-F355 HydrophobicContact CB-CE1 4.34Å; V343-F355 HydrophobicContact CG1-CD1 4.15Å; V343-F355 HydrophobicContact CG1-CE1 3.77Å; V343-F355 HydrophobicContact CG1-CZ 4.34Å; V343-F355 HydrophobicContact CG2-CD1 3.67Å; V343-F355 HydrophobicContact CG2-CE1 3.72Å
344	R	93.2	Very high	92.6	Very high	111 Å²	111	49.7 Å²	49.7	42%	0.419	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	149.9	172.8	65.9	-176	-176.1	137.1	7.9	110.8	T272 E347 D354	T272-R344 HydrophobicContact CG2-CB 3.83Å; R344-E347 IonicContact CZ-OE1 2.95Å; R344-E347 IonicContact NH1-OE1 2.87Å; R344-E347 PolarHBondContact NH1-OE1 2.94Å; R344-E347 IonicContact NH2-OE1 2.7Å; R344-D354 HydrophobicContact CG-CB 3.86Å; R344-D354 IonicContact CZ-OD2 3.13Å; R344-D354 PolarHBondContact N-O 2.85Å; R344-D354 IonicContact NE-OD2 2.7Å; R344-D354 IonicContact NH2-OD2 2.73Å; R344-D354 PolarHBondContact O-N 3.27Å
345	P	90.7	Very high	92.5	Very high	53 Å²	53	47.3 Å²	47.3	34%	0.344	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	143.3	166.4	-20.1	32.3	0	0	0	110.7	T272	T272-P345 WeakPolarHBondContact OG1-CD 3.3Å
346	N	89.9	Confident	92.5	Very high	28 Å²	28	49.5 Å²	49.5	15%	0.15	25%	0.247	C	C	.	.			trans	-68.5	144.5	175.4	-176	-81.1	0	0	0	111	K348 N349 D352 D354 H375	N346-K348 PolarHBondContact O-N 2.76Å; N346-K348 WeakPolarHBondContact OD1-CB 3.34Å; N346-K348 PolarHBondContact OD1-N 2.79Å; N346-N349 WeakPolarHBondContact CB-O 3.25Å; N346-N349 CarbonylContact O-C 3.07Å; N346-N349 PolarHBondContact OD1-N 2.93Å; N346-D352 HydrophobicContact CB-CB 3.94Å; N346-D352 PolarHBondContact N-O 3.04Å; N346-D354 PolarHBondContact ND2-OD1 2.87Å; N346-D354 PolarHBondContact ND2-OD2 2.73Å; N346-H375 PolarHBondContact ND2-CE1 2.84Å
347	E	85.7	Confident	92.5	Very high	159 Å²	159	48.5 Å²	48.5	74%	0.743	24%	0.239	S	C	*	.	S	Bend	trans	-70.1	-30.3	-175.8	-69.3	174	-160.6	0	0	113.4	R344	R344-E347 IonicContact CZ-OE1 2.95Å; R344-E347 IonicContact NH1-OE1 2.87Å; R344-E347 PolarHBondContact NH1-OE1 2.94Å; R344-E347 IonicContact NH2-OE1 2.7Å
348	K	86.4	Confident	92.4	Very high	204 Å²	204	50.4 Å²	50.4	89%	0.887	25%	0.25	S	S	*	.	S	Bend	trans	-84.2	-36.9	179	-63.4	179.3	-179.4	175.4	0	111.6	N346	N346-K348 PolarHBondContact O-N 2.76Å; N346-K348 WeakPolarHBondContact OD1-CB 3.34Å; N346-K348 PolarHBondContact OD1-N 2.79Å
349	N	85	Confident	92.4	Very high	27 Å²	27	47.1 Å²	47.1	14%	0.144	23%	0.233	C	C	.	.			trans	-140.5	110	-176.8	-176.1	2.2	0	0	0	110.6	S35 N346 R351 D352	S35-N349 PolarHBondContact OG-ND2 3.18Å; N346-N349 WeakPolarHBondContact CB-O 3.25Å; N346-N349 CarbonylContact O-C 3.07Å; N346-N349 PolarHBondContact OD1-N 2.93Å; N349-R351 PolarHBondContact O-N 3.05Å; N349-R351 VanDerWaalsContact O-N 3.07Å; N349-R351 PolarHBondContact OD1-N 2.84Å; N349-D352 HydrophobicContact CB-CB 4.44Å; N349-D352 VanDerWaalsContact CB-OD2 3.29Å; N349-D352 WeakPolarHBondContact CB-OD2 3.01Å; N349-D352 PolarHBondContact ND2-OD1 3.12Å; N349-D352 PolarHBondContact ND2-OD2 2.87Å; N349-D352 PolarHBondContact O-N 2.77Å; N349-D352 VanDerWaalsContact O-N 3.09Å
350	N	82.1	Confident	92.5	Very high	111 Å²	111	48.3 Å²	48.3	59%	0.594	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-7.2	-173.7	67.2	-6.8	0	0	0	114.7
351	R	82.6	Confident	92.5	Very high	42 Å²	42	46.3 Å²	46.3	16%	0.158	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-27.6	172.3	-75.1	-164.8	147.2	157.5	-2.1	113.3	Q36 N349	Q36-R351 PolarHBondContact O-NH1 3.33Å; Q36-R351 VanDerWaalsContact O-NH1 3.17Å; N349-R351 PolarHBondContact O-N 3.05Å; N349-R351 VanDerWaalsContact O-N 3.07Å; N349-R351 PolarHBondContact OD1-N 2.84Å
352	D	90.1	Very high	92.5	Very high	15 Å²	15	53.7 Å²	53.7	8%	0.08	26%	0.26	C	S	.	.	S	Bend	trans	-80.1	150.2	178.5	-50.8	-11.8	0	0	0	108.4	S35 N346 N349 M376 H377	S35-D352 PolarHBondContact OG-OD1 2.83Å; N346-D352 HydrophobicContact CB-CB 3.94Å; N346-D352 PolarHBondContact N-O 3.04Å; N349-D352 HydrophobicContact CB-CB 4.44Å; N349-D352 VanDerWaalsContact CB-OD2 3.29Å; N349-D352 WeakPolarHBondContact CB-OD2 3.01Å; N349-D352 PolarHBondContact ND2-OD1 3.12Å; N349-D352 PolarHBondContact ND2-OD2 2.87Å; N349-D352 PolarHBondContact O-N 2.77Å; N349-D352 VanDerWaalsContact O-N 3.09Å; D352-M376 CarbonylContact C-O 3.46Å; D352-M376 VanDerWaalsContact CA-O 3.28Å; D352-M376 WeakPolarHBondContact CA-O 3.15Å; D352-M376 WeakPolarHBondContact CB-O 3.03Å; D352-H377 HydrophobicContact CB-CB 4.31Å
353	L	93.1	Very high	92.5	Very high	11 Å²	11	53.5 Å²	53.5	6%	0.058	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	131.9	-179.1	-69.6	-173.1	0	0	0	111.7	F174 V343 F355 M376	F174-L353 HydrophobicContact CB-CD1 3.76Å; V343-L353 HydrophobicContact CG1-CD1 4.19Å; V343-L353 HydrophobicContact CG1-CD2 4.41Å; L353-F355 HydrophobicContact CB-CD2 4.3Å; L353-F355 HydrophobicContact CB-CE2 3.51Å; L353-F355 HydrophobicContact CB-CZ 3.78Å; L353-F355 HydrophobicContact CD1-CE2 4.32Å; L353-F355 HydrophobicContact CD1-CZ 3.74Å; L353-F355 HydrophobicContact CG-CZ 4.45Å; L353-M376 PolarHBondContact N-O 2.87Å; L353-M376 PolarHBondContact O-N 2.85Å
354	D	95.1	Very high	92.5	Very high	25 Å²	25	59 Å²	59	13%	0.134	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	129	168.7	-65.5	-15.6	0	0	0	109.4	R344 N346 H375	R344-D354 HydrophobicContact CG-CB 3.86Å; R344-D354 IonicContact CZ-OD2 3.13Å; R344-D354 PolarHBondContact N-O 2.85Å; R344-D354 IonicContact NE-OD2 2.7Å; R344-D354 IonicContact NH2-OD2 2.73Å; R344-D354 PolarHBondContact O-N 3.27Å; N346-D354 PolarHBondContact ND2-OD1 2.87Å; N346-D354 PolarHBondContact ND2-OD2 2.73Å; D354-H375 IonicContact OD1-CE1 3.8Å; D354-H375 PolarHBondContact OD1-CE1 2.78Å; D354-H375 IonicContact OD1-CG 3.29Å; D354-H375 IonicContact OD1-ND1 3.94Å; D354-H375 PolarHBondContact OD1-ND1 2.85Å
355	F	96.2	Very high	92.6	Very high	6 Å²	6	60.1 Å²	60.1	3%	0.026	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	137.9	175.3	-58.9	-91.9	0	0	0	109.9	C172 P240 F323 M341 S342 V343 L353 A373 Y374 M376	C172-F355 HydrophobicContact CB-CZ 4.38Å; P240-F355 HydrophobicContact CG-CD2 4.46Å; F323-F355 HydrophobicContact CE1-CB 4.2Å; F323-F355 HydrophobicContact CE1-CD1 4.06Å; F323-F355 HydrophobicContact CE1-CD2 4.06Å; F323-F355 HydrophobicContact CE1-CE1 4.47Å; F323-F355 HydrophobicContact CE1-CE2 4.46Å; F323-F355 AromaticContact CE1-CG 3.84Å; F323-F355 HydrophobicContact CE1-CG 3.84Å; F323-F355 HydrophobicContact CZ-CD1 4.15Å; F323-F355 HydrophobicContact CZ-CE1 4.17Å; F323-F355 HydrophobicContact CZ-CG 4.35Å; F323-F355 HydrophobicContact CZ-CZ 4.39Å; M341-F355 HydrophobicContact CE-CD1 3.33Å; M341-F355 HydrophobicContact CE-CE1 3.72Å; M341-F355 HydrophobicContact CE-CG 4.33Å; S342-F355 VanDerWaalsContact O-CA 3.3Å; S342-F355 WeakPolarHBondContact O-CA 3.32Å; V343-F355 HydrophobicContact CB-CD1 4.36Å; V343-F355 HydrophobicContact CB-CE1 4.34Å; V343-F355 HydrophobicContact CG1-CD1 4.15Å; V343-F355 HydrophobicContact CG1-CE1 3.77Å; V343-F355 HydrophobicContact CG1-CZ 4.34Å; V343-F355 HydrophobicContact CG2-CD1 3.67Å; V343-F355 HydrophobicContact CG2-CE1 3.72Å; L353-F355 HydrophobicContact CB-CD2 4.3Å; L353-F355 HydrophobicContact CB-CE2 3.51Å; L353-F355 HydrophobicContact CB-CZ 3.78Å; L353-F355 HydrophobicContact CD1-CE2 4.32Å; L353-F355 HydrophobicContact CD1-CZ 3.74Å; L353-F355 HydrophobicContact CG-CZ 4.45Å; F355-A373 CarbonylContact O-C 3.52Å; F355-A373 WeakPolarHBondContact O-CA 3.41Å; F355-Y374 HydrophobicContact CB-CD2 4.37Å; F355-Y374 PolarHBondContact N-O 2.8Å; F355-Y374 PolarHBondContact O-N 2.75Å; F355-M376 HydrophobicContact CE2-CB 3.82Å; F355-M376 HydrophobicContact CE2-SD 4.3Å
356	E	96.9	Very high	92.7	Very high	76 Å²	76	59.4 Å²	59.4	36%	0.355	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	121.2	167.2	-169.5	-176.2	106.3	0	0	108.5	M341 S342 K371 N372	M341-E356 CarbonylContact C-O 3.55Å; M341-E356 WeakPolarHBondContact CA-O 3.33Å; S342-E356 PolarHBondContact N-O 3.14Å; S342-E356 PolarHBondContact O-N 3.29Å; E356-K371 WeakPolarHBondContact OE1-CE 3.49Å; E356-K371 IonicContact OE1-NZ 3.84Å; E356-K371 PolarHBondContact OE1-NZ 2.82Å; E356-K371 WeakPolarHBondContact OE2-CE 3.39Å; E356-K371 IonicContact OE2-NZ 3.7Å; E356-K371 PolarHBondContact OE2-NZ 2.85Å; E356-N372 WeakPolarHBondContact CA-O 3.28Å
357	M	97.4	Very high	93	Very high	1 Å²	1	63.5 Å²	63.5	1%	0.005	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	127.1	179.3	-164.9	177.4	-65.2	0	0	110.1	I205 F277 M290 F323 T340 M341 V359 K371 N372 Y374	I205-M357 HydrophobicContact CD1-CE 4.15Å; F277-M357 HydrophobicContact CE1-CG 4.19Å; F277-M357 HydrophobicContact CZ-CG 4.24Å; F277-M357 HydrophobicContact CZ-SD 4.35Å; M290-M357 HydrophobicContact CB-CE 4.11Å; M290-M357 HydrophobicContact CB-SD 4.03Å; M290-M357 HydrophobicContact CG-CE 4.35Å; M290-M357 HydrophobicContact CG-SD 3.61Å; F323-M357 HydrophobicContact CB-CE 4.05Å; F323-M357 HydrophobicContact CD1-CE 4.33Å; F323-M357 HydrophobicContact CD2-CE 4.36Å; F323-M357 HydrophobicContact CG-CE 4Å; T340-M357 CarbonylContact O-C 3.59Å; T340-M357 WeakPolarHBondContact O-CA 3.48Å; M341-M357 HydrophobicContact CE-CE 4.34Å; M341-M357 HydrophobicContact CG-CE 4.4Å; M341-M357 HydrophobicContact SD-CE 3.98Å; M357-V359 HydrophobicContact CG-CG2 4.06Å; M357-V359 HydrophobicContact SD-CG2 4.14Å; M357-K371 WeakPolarHBondContact O-CA 3.26Å; M357-N372 PolarHBondContact N-O 3.48Å; M357-N372 PolarHBondContact O-N 2.67Å; M357-Y374 HydrophobicContact CB-CE2 3.95Å
358	T	97.7	Very high	93.5	Very high	40 Å²	40	57 Å²	57	25%	0.245	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	139.8	165.7	68.5	0	0	0	0	109.1	G339 T340 E370 K371	G339-T358 CarbonylContact C-O 3.58Å; G339-T358 WeakPolarHBondContact CA-O 3.4Å; T340-T358 PolarHBondContact N-O 2.93Å; T340-T358 VanDerWaalsContact N-O 3.12Å; T340-T358 PolarHBondContact N-OG1 3.36Å; T340-T358 PolarHBondContact O-N 2.86Å; T340-T358 PolarHBondContact OG1-OG1 3.38Å; T358-E370 CarbonylContact C-O 3.57Å; T358-E370 WeakPolarHBondContact CA-O 3.18Å; T358-K371 HydrophobicContact CG2-CB 4.45Å; T358-K371 HydrophobicContact CG2-CD 4.4Å; T358-K371 HydrophobicContact CG2-CG 4.12Å
359	V	97.9	Very high	94	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.006	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	120	179.1	-177.4	0	0	0	0	108.1	M290 L325 I329 V337 M357 L368 E369 E370	M290-V359 HydrophobicContact CE-CG1 4.06Å; M290-V359 HydrophobicContact CE-CG2 4.12Å; L325-V359 HydrophobicContact CD2-CG2 3.91Å; I329-V359 HydrophobicContact CD1-CG1 4.03Å; V337-V359 HydrophobicContact CG1-CG1 3.49Å; V337-V359 VanDerWaalsContact CG1-CG1 3.49Å; M357-V359 HydrophobicContact CG-CG2 4.06Å; M357-V359 HydrophobicContact SD-CG2 4.14Å; V359-L368 HydrophobicContact CG1-CD2 4.44Å; V359-E369 WeakPolarHBondContact O-CA 3.25Å; V359-E370 HydrophobicContact CB-CB 4.49Å; V359-E370 PolarHBondContact N-O 3.28Å; V359-E370 PolarHBondContact O-N 2.7Å
360	S	97.8	Very high	94.5	Very high	35 Å²	35	53.2 Å²	53.2	25%	0.245	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	121.1	178.2	174.3	0	0	0	0	108.8	N338 L368 E369	N338-S360 PolarHBondContact N-O 3.01Å; N338-S360 PolarHBondContact O-N 2.88Å; N338-S360 VanDerWaalsContact O-O 3.12Å; S360-L368 WeakPolarHBondContact CA-O 3.16Å; S360-E369 VanDerWaalsContact CB-OE1 3.31Å; S360-E369 WeakPolarHBondContact CB-OE1 3.49Å; S360-E369 VanDerWaalsContact CB-OE2 3.28Å; S360-E369 WeakPolarHBondContact CB-OE2 3.41Å; S360-E369 VanDerWaalsContact OG-CD 3.27Å; S360-E369 PolarHBondContact OG-OE1 2.86Å; S360-E369 PolarHBondContact OG-OE2 2.73Å
361	F	98.1	Very high	95.2	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.009	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	134.2	178.7	176.3	-103.7	0	0	0	110.3	I329 I331 E335 V337 C366 D367 L368	I329-F361 HydrophobicContact CD1-CB 4.24Å; I329-F361 HydrophobicContact CG2-CB 4.38Å; I329-F361 HydrophobicContact CG2-CD1 3.28Å; I329-F361 HydrophobicContact CG2-CD2 4.09Å; I329-F361 HydrophobicContact CG2-CE1 3.35Å; I329-F361 HydrophobicContact CG2-CE2 4.16Å; I329-F361 HydrophobicContact CG2-CG 3.64Å; I329-F361 HydrophobicContact CG2-CZ 3.79Å; I331-F361 HydrophobicContact CB-CE2 4.39Å; I331-F361 HydrophobicContact CB-CZ 4.18Å; I331-F361 HydrophobicContact CD1-CD2 4.2Å; I331-F361 HydrophobicContact CD1-CE2 3.55Å; I331-F361 HydrophobicContact CD1-CZ 4.2Å; I331-F361 HydrophobicContact CG1-CE2 3.7Å; I331-F361 HydrophobicContact CG1-CZ 3.88Å; E335-F361 HydrophobicContact CB-CE2 4.07Å; E335-F361 WeakPolarHBondContact OE2-CZ 3.17Å; V337-F361 HydrophobicContact CG2-CB 4.41Å; V337-F361 HydrophobicContact CG2-CD2 3.74Å; V337-F361 HydrophobicContact CG2-CE2 4.42Å; V337-F361 HydrophobicContact CG2-CG 4.35Å; F361-C366 WeakPolarHBondContact CD1-O 3.33Å; F361-C366 WeakPolarHBondContact CE1-O 3.48Å; F361-D367 CarbonylContact O-C 3.55Å; F361-D367 WeakPolarHBondContact O-CA 3.18Å; F361-L368 HydrophobicContact CB-CB 4.32Å; F361-L368 PolarHBondContact N-O 2.89Å; F361-L368 PolarHBondContact O-N 2.58Å; F361-L368 VanDerWaalsContact O-O 3.14Å
362	K	97.1	Very high	95.8	Very high	156 Å²	156	53.5 Å²	53.5	68%	0.678	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.1	111.7	168.6	-66.8	-172.5	179.5	-177.2	0	108.4	D367	K362-D367 VanDerWaalsContact CA-OD1 3.25Å; K362-D367 WeakPolarHBondContact CA-OD1 3.4Å
363	G	95.5	Very high	96.1	Very high	18 Å²	18	56.2 Å²	56.2	19%	0.186	29%	0.294	C	S	.	.			trans	-129.7	177.9	-176	0	0	0	0	0	112.1	E335 F365 C366 D367	E335-G363 WeakPolarHBondContact OE1-CA 3.44Å; G363-F365 PolarHBondContact O-N 3.11Å; G363-C366 PolarHBondContact N-O 2.7Å; G363-D367 PolarHBondContact N-OD1 3.29Å
364	D	94.1	Very high	96.3	Very high	117 Å²	117	56.1 Å²	56.1	63%	0.626	29%	0.293	S	S	*	.	S	Bend	trans	-67.1	-23.5	-178.3	-76.5	-12	0	0	0	113.7	K332 E335	K332-D364 HydrophobicContact CD-CB 4.2Å; K332-D364 IonicContact NZ-OD2 2.8Å; K332-D364 PolarHBondContact NZ-OD2 2.95Å; E335-D364 PolarHBondContact OE1-N 2.9Å
365	F	94.1	Very high	96.2	Very high	136 Å²	136	57.6 Å²	57.6	60%	0.596	30%	0.299	S	S	*	.	S	Bend	trans	-114.5	-26.4	-172.4	-65	-53.2	0	0	0	114.6	T330 K332 G363	T330-F365 HydrophobicContact CG2-CB 4.1Å; T330-F365 HydrophobicContact CG2-CD2 4Å; T330-F365 HydrophobicContact CG2-CG 4.4Å; K332-F365 HydrophobicContact CD-CD2 4.4Å; K332-F365 HydrophobicContact CD-CE2 3.92Å; K332-F365 HydrophobicContact CD-CZ 4.5Å; K332-F365 HydrophobicContact CG-CD2 4.06Å; K332-F365 HydrophobicContact CG-CE2 3.75Å; G363-F365 PolarHBondContact O-N 3.11Å
366	C	94.4	Very high	96	Very high	37 Å²	37	57.8 Å²	57.8	25%	0.25	30%	0.3	C	S	.	.			trans	-153.2	157	175.8	64.8	0	0	0	0	110.8	T330 F361 G363	T330-C366 PolarHBondContact N-SG 3.23Å; F361-C366 WeakPolarHBondContact CD1-O 3.33Å; F361-C366 WeakPolarHBondContact CE1-O 3.48Å; G363-C366 PolarHBondContact N-O 2.7Å
367	D	95.3	Very high	95.6	Very high	114 Å²	114	59.2 Å²	59.2	61%	0.61	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.3	143	166.6	-67.8	-20.1	0	0	0	107.7	F361 K362 G363	F361-D367 CarbonylContact O-C 3.55Å; F361-D367 WeakPolarHBondContact O-CA 3.18Å; K362-D367 VanDerWaalsContact CA-OD1 3.25Å; K362-D367 WeakPolarHBondContact CA-OD1 3.4Å; G363-D367 PolarHBondContact N-OD1 3.29Å
368	L	96	Very high	95.5	Very high	22 Å²	22	62.1 Å²	62.1	12%	0.115	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	133.2	177	-177	73.9	0	0	0	109.5	D327 I329 V359 S360 F361 E370	D327-L368 HydrophobicContact CB-CD1 3.85Å; I329-L368 HydrophobicContact CD1-CD2 3.76Å; I329-L368 HydrophobicContact CG1-CB 4.46Å; I329-L368 HydrophobicContact CG1-CD2 3.43Å; I329-L368 VanDerWaalsContact CG1-CD2 3.43Å; V359-L368 HydrophobicContact CG1-CD2 4.44Å; S360-L368 WeakPolarHBondContact CA-O 3.16Å; F361-L368 HydrophobicContact CB-CB 4.32Å; F361-L368 PolarHBondContact N-O 2.89Å; F361-L368 PolarHBondContact O-N 2.58Å; F361-L368 VanDerWaalsContact O-O 3.14Å; L368-E370 HydrophobicContact CD1-CB 4.27Å; L368-E370 HydrophobicContact CD2-CB 4.22Å; L368-E370 WeakPolarHBondContact CD2-OE2 3.46Å; L368-E370 HydrophobicContact CG-CB 4.1Å
369	E	97	Very high	95.4	Very high	132 Å²	132	63.3 Å²	63.3	62%	0.617	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.6	108.8	165.3	-74.7	-72.1	174	0	0	106.7	V359 S360	V359-E369 WeakPolarHBondContact O-CA 3.25Å; S360-E369 VanDerWaalsContact CB-OE1 3.31Å; S360-E369 WeakPolarHBondContact CB-OE1 3.49Å; S360-E369 VanDerWaalsContact CB-OE2 3.28Å; S360-E369 WeakPolarHBondContact CB-OE2 3.41Å; S360-E369 VanDerWaalsContact OG-CD 3.27Å; S360-E369 PolarHBondContact OG-OE1 2.86Å; S360-E369 PolarHBondContact OG-OE2 2.73Å
370	E	95.7	Very high	95.3	Very high	20 Å²	20	66.7 Å²	66.7	9%	0.093	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	141.8	-172.4	-167.3	175	155.9	0	0	110.2	E326 T358 V359 L368 N372	E326-E370 WeakPolarHBondContact CB-OE1 3.43Å; E326-E370 PolarHBondContact N-OE1 2.88Å; T358-E370 CarbonylContact C-O 3.57Å; T358-E370 WeakPolarHBondContact CA-O 3.18Å; V359-E370 HydrophobicContact CB-CB 4.49Å; V359-E370 PolarHBondContact N-O 3.28Å; V359-E370 PolarHBondContact O-N 2.7Å; L368-E370 HydrophobicContact CD1-CB 4.27Å; L368-E370 HydrophobicContact CD2-CB 4.22Å; L368-E370 WeakPolarHBondContact CD2-OE2 3.46Å; L368-E370 HydrophobicContact CG-CB 4.1Å; E370-N372 WeakPolarHBondContact CG-OD1 3.31Å; E370-N372 VanDerWaalsContact OE1-CG 3.31Å; E370-N372 PolarHBondContact OE1-ND2 3.44Å; E370-N372 PolarHBondContact OE1-OD1 3.03Å
371	K	96.9	Very high	95.1	Very high	130 Å²	130	68.6 Å²	68.6	57%	0.565	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.9	112.6	175.7	179.1	177.4	176.7	171.4	0	109	E356 M357 T358	E356-K371 WeakPolarHBondContact OE1-CE 3.49Å; E356-K371 IonicContact OE1-NZ 3.84Å; E356-K371 PolarHBondContact OE1-NZ 2.82Å; E356-K371 WeakPolarHBondContact OE2-CE 3.39Å; E356-K371 IonicContact OE2-NZ 3.7Å; E356-K371 PolarHBondContact OE2-NZ 2.85Å; M357-K371 WeakPolarHBondContact O-CA 3.26Å; T358-K371 HydrophobicContact CG2-CB 4.45Å; T358-K371 HydrophobicContact CG2-CD 4.4Å; T358-K371 HydrophobicContact CG2-CG 4.12Å
372	N	96.2	Very high	94.9	Very high	29 Å²	29	72.8 Å²	72.8	16%	0.155	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	144.3	-176.4	-62.6	-22.1	0	0	0	111.2	E356 M357 E370 Y374	E356-N372 WeakPolarHBondContact CA-O 3.28Å; M357-N372 PolarHBondContact N-O 3.48Å; M357-N372 PolarHBondContact O-N 2.67Å; E370-N372 WeakPolarHBondContact CG-OD1 3.31Å; E370-N372 VanDerWaalsContact OE1-CG 3.31Å; E370-N372 PolarHBondContact OE1-ND2 3.44Å; E370-N372 PolarHBondContact OE1-OD1 3.03Å; N372-Y374 HydrophobicContact CB-CD2 4.27Å; N372-Y374 HydrophobicContact CB-CE1 4.41Å; N372-Y374 HydrophobicContact CB-CE2 3.45Å; N372-Y374 VanDerWaalsContact CB-CE2 3.45Å; N372-Y374 WeakPolarHBondContact CB-OH 3.37Å; N372-Y374 PolarHBondContact ND2-OH 2.57Å
373	A	96.4	Very high	94.8	Very high	73 Å²	73	67.2 Å²	67.2	60%	0.603	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.4	130.9	167.5	0	0	0	0	0	108.1	F355	F355-A373 CarbonylContact O-C 3.52Å; F355-A373 WeakPolarHBondContact O-CA 3.41Å
374	Y	96.5	Very high	94.7	Very high	8 Å²	8	70.7 Å²	70.7	3%	0.031	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	150.5	174.9	-48.5	-95.9	0	0	0	110.4	I237 S238 P240 F323 Y324 F355 M357 N372	I237-Y374 WeakPolarHBondContact O-CD1 3.43Å; I237-Y374 VanDerWaalsContact O-CE1 3.3Å; I237-Y374 WeakPolarHBondContact O-CE1 3.49Å; S238-Y374 CarbonylContact O-C 3.47Å; S238-Y374 WeakPolarHBondContact O-CA 3.49Å; S238-Y374 VanDerWaalsContact O-CB 3.29Å; S238-Y374 WeakPolarHBondContact O-CB 3.46Å; P240-Y374 HydrophobicContact CG-CG 4.49Å; F323-Y374 HydrophobicContact CB-CE1 4.26Å; F323-Y374 HydrophobicContact CB-CE2 4.29Å; F323-Y374 HydrophobicContact CD1-CD1 4.14Å; F323-Y374 AromaticContact CD1-CD2 3.73Å; F323-Y374 HydrophobicContact CD1-CD2 3.73Å; F323-Y374 HydrophobicContact CD1-CE1 4.47Å; F323-Y374 HydrophobicContact CD1-CE2 4.07Å; F323-Y374 AromaticContact CD1-CG 3.77Å; F323-Y374 HydrophobicContact CD1-CG 3.77Å; F323-Y374 HydrophobicContact CE1-CD2 4.43Å; F323-Y374 HydrophobicContact CE1-CG 4.4Å; Y324-Y374 WeakPolarHBondContact O-CE1 3.35Å; Y324-Y374 PolarHBondContact O-OH 3.04Å; F355-Y374 HydrophobicContact CB-CD2 4.37Å; F355-Y374 PolarHBondContact N-O 2.8Å; F355-Y374 PolarHBondContact O-N 2.75Å; M357-Y374 HydrophobicContact CB-CE2 3.95Å; N372-Y374 HydrophobicContact CB-CD2 4.27Å; N372-Y374 HydrophobicContact CB-CE1 4.41Å; N372-Y374 HydrophobicContact CB-CE2 3.45Å; N372-Y374 VanDerWaalsContact CB-CE2 3.45Å; N372-Y374 WeakPolarHBondContact CB-OH 3.37Å; N372-Y374 PolarHBondContact ND2-OH 2.57Å
375	H	93.7	Very high	94.8	Very high	56 Å²	56	67.2 Å²	67.2	26%	0.259	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	129.4	179.3	-174.8	63.4	0	0	0	109.6	S238 P240 N346 D354 H377	S238-H375 PolarHBondContact O-N 2.99Å; P240-H375 WeakPolarHBondContact CD-O 3.19Å; N346-H375 PolarHBondContact ND2-CE1 2.84Å; D354-H375 IonicContact OD1-CE1 3.8Å; D354-H375 PolarHBondContact OD1-CE1 2.78Å; D354-H375 IonicContact OD1-CG 3.29Å; D354-H375 IonicContact OD1-ND1 3.94Å; D354-H375 PolarHBondContact OD1-ND1 2.85Å; H375-H377 AromaticContact CD2-CD2 3.47Å; H375-H377 PolarHBondContact CD2-CD2 2.8Å; H375-H377 VanDerWaalsContact CD2-CD2 3.47Å; H375-H377 AromaticContact NE2-CD2 3.85Å
376	M	92.1	Very high	94.8	Very high	10 Å²	10	61.4 Å²	61.4	5%	0.049	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	112.6	179	-162.8	173.2	-158.6	0	0	107.8	C172 Y175 P240 V242 T321 D352 L353 F355	C172-M376 HydrophobicContact CB-SD 4.44Å; Y175-M376 VanDerWaalsContact CB-SD 3.58Å; Y175-M376 HydrophobicContact CD1-CE 4.05Å; Y175-M376 HydrophobicContact CD1-CG 4.1Å; Y175-M376 HydrophobicContact CD1-SD 3.95Å; Y175-M376 HydrophobicContact CD2-CB 3.96Å; Y175-M376 HydrophobicContact CD2-CG 3.63Å; Y175-M376 WeakPolarHBondContact CD2-O 3.34Å; Y175-M376 HydrophobicContact CD2-SD 4.09Å; Y175-M376 HydrophobicContact CE1-CG 4.31Å; Y175-M376 HydrophobicContact CE2-CB 4.3Å; Y175-M376 HydrophobicContact CE2-CG 3.9Å; Y175-M376 VanDerWaalsContact CE2-O 3.28Å; Y175-M376 WeakPolarHBondContact CE2-O 3.47Å; Y175-M376 HydrophobicContact CG-CB 4.44Å; Y175-M376 HydrophobicContact CG-CE 4.31Å; Y175-M376 HydrophobicContact CG-CG 3.73Å; Y175-M376 HydrophobicContact CG-SD 3.59Å; Y175-M376 VanDerWaalsContact CG-SD 3.59Å; P240-M376 HydrophobicContact CG-CB 4.4Å; V242-M376 HydrophobicContact CG2-CE 3.33Å; T321-M376 HydrophobicContact CG2-CE 3.96Å; T321-M376 HydrophobicContact CG2-SD 4.38Å; D352-M376 CarbonylContact C-O 3.46Å; D352-M376 VanDerWaalsContact CA-O 3.28Å; D352-M376 WeakPolarHBondContact CA-O 3.15Å; D352-M376 WeakPolarHBondContact CB-O 3.03Å; L353-M376 PolarHBondContact N-O 2.87Å; L353-M376 PolarHBondContact O-N 2.85Å; F355-M376 HydrophobicContact CE2-CB 3.82Å; F355-M376 HydrophobicContact CE2-SD 4.3Å
377	H	87.8	Confident	94.9	Very high	106 Å²	106	63.6 Å²	63.6	49%	0.491	33%	0.326	S	S	.	.			trans	-126.9	0	-173.8	56.9	34.6	0	0	0	112.3	Y175 E239 D352 H375	Y175-H377 PolarHBondContact OH-O 3.21Å; Y175-H377 VanDerWaalsContact OH-O 3.06Å; Y175-H377 PolarHBondContact OH-OXT 3.43Å; E239-H377 IonicContact OE1-CE1 3.87Å; E239-H377 IonicContact OE2-CE1 2.76Å; D352-H377 HydrophobicContact CB-CB 4.31Å; H375-H377 AromaticContact CD2-CD2 3.47Å; H375-H377 PolarHBondContact CD2-CD2 2.8Å; H375-H377 VanDerWaalsContact CD2-CD2 3.47Å; H375-H377 AromaticContact NE2-CD2 3.85Å

Retrieved 377 of 377 residues in 832.5 ms (Link to these results)

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